smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc(C[C@@H](C)[NH3+])cc1 34439269 1169071192 /nfs/dbraw/zinc/07/11/92/1169071192.db2.gz RHBGWZSBVYGMNY-MRVPVSSYSA-N 1 0 193.246 1.363 50 0 ADAARO COC(=O)c1ccc(C[C@H](C)[NH3+])cc1 34439268 1169072333 /nfs/dbraw/zinc/07/23/33/1169072333.db2.gz RHBGWZSBVYGMNY-QMMMGPOBSA-N 1 0 193.246 1.363 50 0 ADAARO COc1ccc2c(c1O)CC[C@@H]2[NH3+] 59699800 1169100456 /nfs/dbraw/zinc/10/04/56/1169100456.db2.gz ILTXPUOKYZBBNN-QMMMGPOBSA-N 1 0 179.219 1.347 50 0 ADAARO COc1ccc2c(c1O)CC[C@H]2[NH3+] 59699802 1169100466 /nfs/dbraw/zinc/10/04/66/1169100466.db2.gz ILTXPUOKYZBBNN-MRVPVSSYSA-N 1 0 179.219 1.347 50 0 ADAARO CC1(C)COCC[C@H]1C[NH3+] 82409365 1169110179 /nfs/dbraw/zinc/11/01/79/1169110179.db2.gz NARUVRYSESDNKT-ZETCQYMHSA-N 1 0 143.230 1.008 50 0 ADAARO CC1(C)COCC[C@@H]1C[NH3+] 82409364 1169110188 /nfs/dbraw/zinc/11/01/88/1169110188.db2.gz NARUVRYSESDNKT-SSDOTTSWSA-N 1 0 143.230 1.008 50 0 ADAARO Cc1ncccc1C1CC[NH2+]CC1 83272592 1169114236 /nfs/dbraw/zinc/11/42/36/1169114236.db2.gz AVCICBQKZSWBOU-UHFFFAOYSA-N 1 0 176.263 1.857 50 0 ADAARO CC(C)(C)[NH2+][C@H](O)c1cccc(O)c1 104474736 1169140110 /nfs/dbraw/zinc/14/01/10/1169140110.db2.gz FBLBTCSOWGAGBO-SNVBAGLBSA-N 1 0 195.262 1.771 50 0 ADAARO C[C@H]([NH3+])c1cccc(F)n1 104665084 1169140185 /nfs/dbraw/zinc/14/01/85/1169140185.db2.gz JMWKMDAXGWSOFO-YFKPBYRVSA-N 1 0 140.161 1.240 50 0 ADAARO FCC[NH2+]Cc1cnn2ccccc12 308558080 673933115 /nfs/dbraw/zinc/93/31/15/673933115.db2.gz UHUKNLBVJLHMNF-UHFFFAOYSA-N 1 0 193.225 1.393 50 0 ADAARO [NH2+]=C(NO)c1ccc2occc2c1 117395486 1169160176 /nfs/dbraw/zinc/16/01/76/1169160176.db2.gz RWOAWMSQPZJZLX-UHFFFAOYSA-N 1 0 176.175 1.737 50 0 ADAARO C[C@H]1CCC(=O)C[C@H]1[NH+]1CCCC1 725361122 673940559 /nfs/dbraw/zinc/94/05/59/673940559.db2.gz LTILQONBUWOUMO-GXSJLCMTSA-N 1 0 181.279 1.840 50 0 ADAARO CC[C@H](C)[NH2+]C1CC(C(=O)OC)C1 725376645 673940593 /nfs/dbraw/zinc/94/05/93/673940593.db2.gz CKWMFYLCTWDXGH-UEJVZZJDSA-N 1 0 185.267 1.326 50 0 ADAARO C[NH2+][C@@H]1CCC(C)(C)[C@@H](C(=O)OC)C1 725362316 673940619 /nfs/dbraw/zinc/94/06/19/673940619.db2.gz SZDBJOJEGFLANT-RKDXNWHRSA-N 1 0 199.294 1.574 50 0 ADAARO C[NH2+][C@H]1CCC(C)(C)[C@H](C(=O)OC)C1 725362315 673940627 /nfs/dbraw/zinc/94/06/27/673940627.db2.gz SZDBJOJEGFLANT-IUCAKERBSA-N 1 0 199.294 1.574 50 0 ADAARO C[NH2+][C@@H]1CCC(C)(C)[C@H](C(=O)OC)C1 725362311 673940683 /nfs/dbraw/zinc/94/06/83/673940683.db2.gz SZDBJOJEGFLANT-BDAKNGLRSA-N 1 0 199.294 1.574 50 0 ADAARO C[C@@H]1CCC(=O)C[C@@H]1[NH+]1CCOCC1 725358659 673940712 /nfs/dbraw/zinc/94/07/12/673940712.db2.gz AQMDKJRQTUDKKT-KOLCDFICSA-N 1 0 197.278 1.076 50 0 ADAARO C[C@@H]1CCC(=O)C[C@@H]1[NH+](C)C 725358715 673940724 /nfs/dbraw/zinc/94/07/24/673940724.db2.gz AXVPMSJWLMFBHU-APPZFPTMSA-N 1 0 155.241 1.306 50 0 ADAARO CC[C@@H]1CCC(=O)C[C@@H]1[NH+](C)C 725362393 673940728 /nfs/dbraw/zinc/94/07/28/673940728.db2.gz UBYDRTQGKZHLTL-SCZZXKLOSA-N 1 0 169.268 1.696 50 0 ADAARO CCCC[NH2+]C1CC(C(=O)OC)C1 725377098 673940749 /nfs/dbraw/zinc/94/07/49/673940749.db2.gz IESJPCSKZPYIFY-UHFFFAOYSA-N 1 0 185.267 1.328 50 0 ADAARO CC(C)[C@@H]1CCC(=O)C[C@@H]1[NH+](C)C 725362760 673940797 /nfs/dbraw/zinc/94/07/97/673940797.db2.gz WCJMNZVJVHJKQE-QWRGUYRKSA-N 1 0 183.295 1.942 50 0 ADAARO CC[C@@H]1CC[C@H]([NH3+])C[C@H]1C(=O)OC 725361235 673940800 /nfs/dbraw/zinc/94/08/00/673940800.db2.gz XZDABKUEPPUANI-HRDYMLBCSA-N 1 0 185.267 1.313 50 0 ADAARO COC(=O)C1CC([NH2+]CC(C)C)C1 725377273 673940820 /nfs/dbraw/zinc/94/08/20/673940820.db2.gz LUTAZARPIOLBOO-UHFFFAOYSA-N 1 0 185.267 1.184 50 0 ADAARO CCC(C)(C)[NH2+]C1CC(C(=O)OC)C1 725377759 673940833 /nfs/dbraw/zinc/94/08/33/673940833.db2.gz YMDSHSMZLDTTPP-UHFFFAOYSA-N 1 0 199.294 1.716 50 0 ADAARO COC(=O)[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(C)C 725357966 673940788 /nfs/dbraw/zinc/94/07/88/673940788.db2.gz HITAPACHIIJUME-OPRDCNLKSA-N 1 0 199.294 1.559 50 0 ADAARO COC(=O)[C@@H]1C[C@H]([NH3+])CC[C@H]1C(C)C 725357964 673940790 /nfs/dbraw/zinc/94/07/90/673940790.db2.gz HITAPACHIIJUME-KXUCPTDWSA-N 1 0 199.294 1.559 50 0 ADAARO CC(C)[C@@H]1CCC(=O)C[C@H]1[NH+](C)C 725362761 673940857 /nfs/dbraw/zinc/94/08/57/673940857.db2.gz WCJMNZVJVHJKQE-WDEREUQCSA-N 1 0 183.295 1.942 50 0 ADAARO C[C@@H]1CCC(=O)C[C@H]1[NH+]1CCOCC1 725358661 673940882 /nfs/dbraw/zinc/94/08/82/673940882.db2.gz AQMDKJRQTUDKKT-MWLCHTKSSA-N 1 0 197.278 1.076 50 0 ADAARO COC(=O)C1CC([NH2+]C2CCC2)C1 725377257 673940908 /nfs/dbraw/zinc/94/09/08/673940908.db2.gz LHEKHBLHBSYUFS-UHFFFAOYSA-N 1 0 183.251 1.080 50 0 ADAARO COC(=O)[C@@H]1C[C@@H]([NH3+])CC[C@H]1C(C)C 725357965 673940913 /nfs/dbraw/zinc/94/09/13/673940913.db2.gz HITAPACHIIJUME-LPEHRKFASA-N 1 0 199.294 1.559 50 0 ADAARO COC(=O)C1CC([NH2+]C(C)(C)C)C1 725377290 673940947 /nfs/dbraw/zinc/94/09/47/673940947.db2.gz MBDPUZIFBOOQTQ-UHFFFAOYSA-N 1 0 185.267 1.326 50 0 ADAARO CC[C@@H]1CC[C@@H]([NH3+])C[C@H]1C(=O)OC 725361237 673941004 /nfs/dbraw/zinc/94/10/04/673941004.db2.gz XZDABKUEPPUANI-IWSPIJDZSA-N 1 0 185.267 1.313 50 0 ADAARO CC(C)[C@H]1CCC(=O)C[C@H]1[NH+](C)C 725362758 673941020 /nfs/dbraw/zinc/94/10/20/673941020.db2.gz WCJMNZVJVHJKQE-GHMZBOCLSA-N 1 0 183.295 1.942 50 0 ADAARO CC[C@H]1CCC(=O)C[C@H]1[NH+](C)C 725362394 673941041 /nfs/dbraw/zinc/94/10/41/673941041.db2.gz UBYDRTQGKZHLTL-WCBMZHEXSA-N 1 0 169.268 1.696 50 0 ADAARO C[C@@H]1CCC(=O)C[C@H]1[NH+](C)C 725358718 673941073 /nfs/dbraw/zinc/94/10/73/673941073.db2.gz AXVPMSJWLMFBHU-VXNVDRBHSA-N 1 0 155.241 1.306 50 0 ADAARO C[NH2+][C@@H]1CC[C@@H](C)[C@H](C(=O)OC)C1 725358862 673941091 /nfs/dbraw/zinc/94/10/91/673941091.db2.gz MUBNPQGWESJWFX-IWSPIJDZSA-N 1 0 185.267 1.184 50 0 ADAARO C[C@@H]1CCC(=O)C[C@H]1[NH+]1CCCC1 725361125 673941122 /nfs/dbraw/zinc/94/11/22/673941122.db2.gz LTILQONBUWOUMO-MWLCHTKSSA-N 1 0 181.279 1.840 50 0 ADAARO C[C@H]1CCC(=O)C[C@H]1[NH+]1CCOCC1 725358657 673941136 /nfs/dbraw/zinc/94/11/36/673941136.db2.gz AQMDKJRQTUDKKT-GXSJLCMTSA-N 1 0 197.278 1.076 50 0 ADAARO C[NH2+][C@H]1CCC(C)(C)[C@@H](C(=O)OC)C1 725362314 673941139 /nfs/dbraw/zinc/94/11/39/673941139.db2.gz SZDBJOJEGFLANT-DTWKUNHWSA-N 1 0 199.294 1.574 50 0 ADAARO C[C@H]1CCC(=O)C[C@@H]1[NH+](C)C 725358716 673941267 /nfs/dbraw/zinc/94/12/67/673941267.db2.gz AXVPMSJWLMFBHU-CBAPKCEASA-N 1 0 155.241 1.306 50 0 ADAARO CC[C@@H](C)[NH2+]C1CC(C(=O)OC)C1 725376638 673941318 /nfs/dbraw/zinc/94/13/18/673941318.db2.gz CKWMFYLCTWDXGH-AFPNSQJFSA-N 1 0 185.267 1.326 50 0 ADAARO CCC(CC)[NH2+]C1CC(C(=O)OC)C1 725377379 673941322 /nfs/dbraw/zinc/94/13/22/673941322.db2.gz NNWWIHDODOTDPF-UHFFFAOYSA-N 1 0 199.294 1.716 50 0 ADAARO CC(C)[C@H]1CCC(=O)C[C@@H]1[NH+](C)C 725362759 673941383 /nfs/dbraw/zinc/94/13/83/673941383.db2.gz WCJMNZVJVHJKQE-MNOVXSKESA-N 1 0 183.295 1.942 50 0 ADAARO Cc1ccc([C@@H]([NH3+])CN(C)C)cc1 19821188 673946616 /nfs/dbraw/zinc/94/66/16/673946616.db2.gz SQKFDJYYIBKNGD-NSHDSACASA-N 1 0 178.279 1.556 50 0 ADAARO [NH3+][C@@H]1CCCSCC1 82410977 673948110 /nfs/dbraw/zinc/94/81/10/673948110.db2.gz SACIYAJUZGSOJM-ZCFIWIBFSA-N 1 0 131.244 1.231 50 0 ADAARO C1CCC2(CCOCC2)C[NH2+]C1 84234439 673963405 /nfs/dbraw/zinc/96/34/05/673963405.db2.gz UHIHQEIAVNVFQM-UHFFFAOYSA-N 1 0 169.268 1.557 50 0 ADAARO C[C@@H]1CCC(=O)C[C@@H]1[NH+]1CCCC1 725361124 673977246 /nfs/dbraw/zinc/97/72/46/673977246.db2.gz LTILQONBUWOUMO-KOLCDFICSA-N 1 0 181.279 1.840 50 0 ADAARO C[C@H]([NH3+])C(=O)c1ccc(Cl)cc1 53194814 673976525 /nfs/dbraw/zinc/97/65/25/673976525.db2.gz PWNZKQBNTIOCAT-LURJTMIESA-N 1 0 183.638 1.870 50 0 in-vitro ADAARO C[C@H]1CCC(=O)C[C@H]1[NH+](C)C 725358717 673977023 /nfs/dbraw/zinc/97/70/23/673977023.db2.gz AXVPMSJWLMFBHU-IONNQARKSA-N 1 0 155.241 1.306 50 0 ADAARO COC(=O)[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(C)C 725357962 673976990 /nfs/dbraw/zinc/97/69/90/673976990.db2.gz HITAPACHIIJUME-IVZWLZJFSA-N 1 0 199.294 1.559 50 0 ADAARO C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C(=O)OC)C1 725358861 673976996 /nfs/dbraw/zinc/97/69/96/673976996.db2.gz MUBNPQGWESJWFX-HLTSFMKQSA-N 1 0 185.267 1.184 50 0 ADAARO C[C@H]1CCC(=O)C[C@@H]1[NH+]1CCOCC1 725358663 673977033 /nfs/dbraw/zinc/97/70/33/673977033.db2.gz AQMDKJRQTUDKKT-ONGXEEELSA-N 1 0 197.278 1.076 50 0 ADAARO C[NH2+][C@@H]1CC[C@H](C)[C@@H](C(=O)OC)C1 725358863 673977044 /nfs/dbraw/zinc/97/70/44/673977044.db2.gz MUBNPQGWESJWFX-YIZRAAEISA-N 1 0 185.267 1.184 50 0 ADAARO C[NH+](C)[C@H]1CC(=O)CCC1(C)C 725363165 673977129 /nfs/dbraw/zinc/97/71/29/673977129.db2.gz YWKLXEPGDNPEJR-VIFPVBQESA-N 1 0 169.268 1.696 50 0 ADAARO CC[C@@H]1CCC(=O)C[C@H]1[NH+](C)C 725362392 673977136 /nfs/dbraw/zinc/97/71/36/673977136.db2.gz UBYDRTQGKZHLTL-PSASIEDQSA-N 1 0 169.268 1.696 50 0 ADAARO C[NH2+][C@@H]1CC[C@H](C)[C@H](C(=O)OC)C1 725358855 673977147 /nfs/dbraw/zinc/97/71/47/673977147.db2.gz MUBNPQGWESJWFX-DJLDLDEBSA-N 1 0 185.267 1.184 50 0 ADAARO CC[C@H]1CCC(=O)C[C@@H]1[NH+](C)C 725362395 673977156 /nfs/dbraw/zinc/97/71/56/673977156.db2.gz UBYDRTQGKZHLTL-WPRPVWTQSA-N 1 0 169.268 1.696 50 0 ADAARO C[C@H]1CCC(=O)C[C@@H]1[NH+]1CCCC1 725361129 673977179 /nfs/dbraw/zinc/97/71/79/673977179.db2.gz LTILQONBUWOUMO-ONGXEEELSA-N 1 0 181.279 1.840 50 0 ADAARO C[NH+](C)[C@@H]1CC(=O)CCC1(C)C 725363164 673977232 /nfs/dbraw/zinc/97/72/32/673977232.db2.gz YWKLXEPGDNPEJR-SECBINFHSA-N 1 0 169.268 1.696 50 0 ADAARO C[C@H](Cc1ccccn1)[NH2+]CCF 703275654 673981861 /nfs/dbraw/zinc/98/18/61/673981861.db2.gz VPAJHLXQBCADCW-SECBINFHSA-N 1 0 182.242 1.572 50 0 ADAARO C[C@@H](Cc1ccccn1)[NH2+]CCF 703275656 673981867 /nfs/dbraw/zinc/98/18/67/673981867.db2.gz VPAJHLXQBCADCW-VIFPVBQESA-N 1 0 182.242 1.572 50 0 ADAARO CCc1nc(C)cc(C[NH+](C)C)c1O 38193107 674065959 /nfs/dbraw/zinc/06/59/59/674065959.db2.gz QOPZUECIMZKQCX-UHFFFAOYSA-N 1 0 194.278 1.720 50 0 ADAARO CC1=N[N+](C)=C(C)C1(C)C 270806 674076033 /nfs/dbraw/zinc/07/60/33/674076033.db2.gz MMGXOVWQEHLELH-UHFFFAOYSA-N 1 0 139.222 1.505 50 0 ADAARO CC[n+]1c(C)n(C)c2cc(N)ccc21 281278 674075623 /nfs/dbraw/zinc/07/56/23/674075623.db2.gz HESIVGKZBUOCEF-UHFFFAOYSA-N 1 0 190.270 1.376 50 0 ADAARO Cc1ccc(-n2ccc(C)n2)c(N)n1 199461598 1169298289 /nfs/dbraw/zinc/29/82/89/1169298289.db2.gz NLPXIZYKKXXWSE-UHFFFAOYSA-N 1 0 188.234 1.466 50 0 ADAARO C=CC(=O)N1CC[NH+]([C@@H](C)CC)CC1 55070373 674081903 /nfs/dbraw/zinc/08/19/03/674081903.db2.gz LXKVDIWLAISLBR-JTQLQIEISA-N 1 0 196.294 1.115 50 0 ADAARO C=CC(=O)N1CC[NH+]([C@H](C)CC)CC1 55070371 674081914 /nfs/dbraw/zinc/08/19/14/674081914.db2.gz LXKVDIWLAISLBR-SNVBAGLBSA-N 1 0 196.294 1.115 50 0 ADAARO CC[C@@]12C[NH2+]C[C@@H]1C2 204516201 1169314766 /nfs/dbraw/zinc/31/47/66/1169314766.db2.gz ZAPBJKNMYYDVGK-NKWVEPMBSA-N 1 0 111.188 1.006 50 0 ADAARO CC[C@]12C[NH2+]C[C@H]1C2 204516150 1169316936 /nfs/dbraw/zinc/31/69/36/1169316936.db2.gz ZAPBJKNMYYDVGK-RQJHMYQMSA-N 1 0 111.188 1.006 50 0 ADAARO CC(C)(C)Oc1cc[nH+]c(N)c1 212252314 1169331627 /nfs/dbraw/zinc/33/16/27/1169331627.db2.gz USHQTFHHDCHUJT-UHFFFAOYSA-N 1 0 166.224 1.841 50 0 ADAARO C[C@H]1C[C@H](F)CC[NH2+]1 213535922 1169333422 /nfs/dbraw/zinc/33/34/22/1169333422.db2.gz YKJGQFJFDSSLBX-NTSWFWBYSA-N 1 0 117.167 1.096 50 0 ADAARO C[C@@H]1C[C@H](F)CC[NH2+]1 213535859 1169333641 /nfs/dbraw/zinc/33/36/41/1169333641.db2.gz YKJGQFJFDSSLBX-PHDIDXHHSA-N 1 0 117.167 1.096 50 0 ADAARO C[C@@H]1C[C@@H](F)CC[NH2+]1 213535978 1169334627 /nfs/dbraw/zinc/33/46/27/1169334627.db2.gz YKJGQFJFDSSLBX-RITPCOANSA-N 1 0 117.167 1.096 50 0 ADAARO C[C@H]1C=C(C(F)(F)F)CC[NH2+]1 214472895 1169335046 /nfs/dbraw/zinc/33/50/46/1169335046.db2.gz HOYONCOQYXZYIQ-YFKPBYRVSA-N 1 0 165.158 1.857 50 0 ADAARO C[C@@H]1C=C(C(F)(F)F)CC[NH2+]1 214472844 1169335135 /nfs/dbraw/zinc/33/51/35/1169335135.db2.gz HOYONCOQYXZYIQ-RXMQYKEDSA-N 1 0 165.158 1.857 50 0 ADAARO C=CC(=O)NCC1(C)CC[NH+](C)CC1 226346378 1169373240 /nfs/dbraw/zinc/37/32/40/1169373240.db2.gz SRVJPEPOIIISAA-UHFFFAOYSA-N 1 0 196.294 1.021 50 0 ADAARO c1nc2c([nH]1)[C@@H]1CCC[NH2+][C@@H]1CC2 238018664 1169417970 /nfs/dbraw/zinc/41/79/70/1169417970.db2.gz WRVHORQXXLTWRI-HTQZYQBOSA-N 1 0 177.251 1.192 50 0 ADAARO c1nc2c([nH]1)[C@H]1CCC[NH2+][C@H]1CC2 238021724 1169418316 /nfs/dbraw/zinc/41/83/16/1169418316.db2.gz WRVHORQXXLTWRI-YUMQZZPRSA-N 1 0 177.251 1.192 50 0 ADAARO c1nc2c([nH]1)[C@H]1CCC[NH2+][C@@H]1CC2 238018696 1169418623 /nfs/dbraw/zinc/41/86/23/1169418623.db2.gz WRVHORQXXLTWRI-JGVFFNPUSA-N 1 0 177.251 1.192 50 0 ADAARO c1nc2c([nH]1)[C@@H]1CCC[NH2+][C@H]1CC2 238021695 1169419239 /nfs/dbraw/zinc/41/92/39/1169419239.db2.gz WRVHORQXXLTWRI-SFYZADRCSA-N 1 0 177.251 1.192 50 0 ADAARO [NH3+][C@H](c1ccsc1)C1(O)CCC1 238631566 1169421303 /nfs/dbraw/zinc/42/13/03/1169421303.db2.gz AIJBJLNSGJQQBI-MRVPVSSYSA-N 1 0 183.276 1.663 50 0 ADAARO [NH3+][C@@H](c1ccsc1)C1(O)CCC1 238638810 1169422358 /nfs/dbraw/zinc/42/23/58/1169422358.db2.gz AIJBJLNSGJQQBI-QMMMGPOBSA-N 1 0 183.276 1.663 50 0 ADAARO c1cnc(N[C@@H]2CCCC[NH2+]C2)nc1 69684038 566260420 /nfs/dbraw/zinc/26/04/20/566260420.db2.gz PFXDAYBNPUUKPB-SECBINFHSA-N 1 0 192.266 1.031 50 0 ADAARO c1cnc(N[C@H]2CCCC[NH2+]C2)nc1 69684041 566260851 /nfs/dbraw/zinc/26/08/51/566260851.db2.gz PFXDAYBNPUUKPB-VIFPVBQESA-N 1 0 192.266 1.031 50 0 ADAARO FC(F)(F)CCO[C@@H]1CCC[NH2+]C1 70914357 566262524 /nfs/dbraw/zinc/26/25/24/566262524.db2.gz ZRMGDIUIYOZJTK-SSDOTTSWSA-N 1 0 197.200 1.707 50 0 ADAARO FC(F)(F)CCO[C@H]1CCC[NH2+]C1 70914353 566262636 /nfs/dbraw/zinc/26/26/36/566262636.db2.gz ZRMGDIUIYOZJTK-ZETCQYMHSA-N 1 0 197.200 1.707 50 0 ADAARO [NH3+]CCc1ccc(C(F)F)cn1 238571764 566283533 /nfs/dbraw/zinc/28/35/33/566283533.db2.gz DHIYTTXUKXNXQT-UHFFFAOYSA-N 1 0 172.178 1.520 50 0 ADAARO [NH3+]Cc1c[nH]c2cc(F)c(F)cc12 238627138 566283676 /nfs/dbraw/zinc/28/36/76/566283676.db2.gz UZLOEGZHDFATSW-UHFFFAOYSA-N 1 0 182.173 1.905 50 0 ADAARO C=CC(=O)NCC[N@H+]1CCCC1(C)C 1336675757 1170376997 /nfs/dbraw/zinc/37/69/97/1170376997.db2.gz IBGHBLJGJQZKIW-UHFFFAOYSA-N 1 0 196.294 1.163 50 0 ADAARO C[Si](C)(C)CSCC[NH3+] 1501018266 1170608764 /nfs/dbraw/zinc/60/87/64/1170608764.db2.gz SJWBAGPCRQGZDX-UHFFFAOYSA-N 1 0 163.362 1.556 50 0 ADAARO C/C=C/CN(CC)CC[NH+]1CCCC1 1529168361 1170641145 /nfs/dbraw/zinc/64/11/45/1170641145.db2.gz AWXOPKWCJSRJRP-HWKANZROSA-N 1 0 196.338 1.980 50 0 ADAARO CN1Cc2ccccc2[C@@H]1[NH3+] 1534067587 1170642495 /nfs/dbraw/zinc/64/24/95/1170642495.db2.gz DIXXJKDDPGACOE-SECBINFHSA-N 1 0 148.209 1.089 50 0 ADAARO CN1Cc2ccccc2[C@H]1[NH3+] 1534067588 1170643278 /nfs/dbraw/zinc/64/32/78/1170643278.db2.gz DIXXJKDDPGACOE-VIFPVBQESA-N 1 0 148.209 1.089 50 0 ADAARO Cc1[nH]c2ccccc2c1[C@@H](O)C[NH3+] 21949672 571674965 /nfs/dbraw/zinc/67/49/65/571674965.db2.gz HTLBSDNZNLCRSW-JTQLQIEISA-N 1 0 190.246 1.468 50 0 ADAARO Cc1[nH]c2ccccc2c1[C@H](O)C[NH3+] 21949674 571676751 /nfs/dbraw/zinc/67/67/51/571676751.db2.gz HTLBSDNZNLCRSW-SNVBAGLBSA-N 1 0 190.246 1.468 50 0 ADAARO C[NH+]1CCN(Cc2ccoc2)CC1 22032367 571686064 /nfs/dbraw/zinc/68/60/64/571686064.db2.gz URZJEJJVLFSYAJ-UHFFFAOYSA-N 1 0 180.251 1.027 50 0 ADAARO CCCC[C@]12CCC(=O)N1CC[NH2+]2 22022732 571687285 /nfs/dbraw/zinc/68/72/85/571687285.db2.gz DKQXJEMJRGOBCZ-SNVBAGLBSA-N 1 0 182.267 1.099 50 0 ADAARO CCCC[C@@]12CCC(=O)N1CC[NH2+]2 22022731 571687567 /nfs/dbraw/zinc/68/75/67/571687567.db2.gz DKQXJEMJRGOBCZ-JTQLQIEISA-N 1 0 182.267 1.099 50 0 ADAARO C1CC[C@H]2C[NH2+]C[C@@H]2CC1 24513166 571735891 /nfs/dbraw/zinc/73/58/91/571735891.db2.gz CLGNZNKTKHGQJT-IUCAKERBSA-N 1 0 139.242 1.786 50 0 ADAARO C1C[C@@H]2CC[NH2+]CC[C@H]2C1 24512986 571737346 /nfs/dbraw/zinc/73/73/46/571737346.db2.gz MBCQCLOAEMISBA-RKDXNWHRSA-N 1 0 139.242 1.786 50 0 ADAARO COC(OC)c1ccccc1C[NH3+] 214270196 571741163 /nfs/dbraw/zinc/74/11/63/571741163.db2.gz AYXKLUMFSAEIGU-UHFFFAOYSA-N 1 0 181.235 1.437 50 0 ADAARO COC(OC)c1cccc(C[NH3+])c1 214270273 571742571 /nfs/dbraw/zinc/74/25/71/571742571.db2.gz DTAAATXSAJQACD-UHFFFAOYSA-N 1 0 181.235 1.437 50 0 ADAARO [NH3+]C1(c2ccnc(C(F)F)c2)CC1 214367295 571751383 /nfs/dbraw/zinc/75/13/83/571751383.db2.gz CPCNWISLPXJUJJ-UHFFFAOYSA-N 1 0 184.189 1.967 50 0 ADAARO CC(C)(C)C[C@H]([NH3+])C(C)(C)O 17403415 571761284 /nfs/dbraw/zinc/76/12/84/571761284.db2.gz KKDUOWQVUQHEDQ-ZETCQYMHSA-N 1 0 159.273 1.521 50 0 ADAARO CC(C)(C)C[C@@H]([NH3+])C(C)(C)O 17403413 571761523 /nfs/dbraw/zinc/76/15/23/571761523.db2.gz KKDUOWQVUQHEDQ-SSDOTTSWSA-N 1 0 159.273 1.521 50 0 ADAARO [NH3+]CC1C[C@@H]2CCC[C@H]2C1 18425089 571767107 /nfs/dbraw/zinc/76/71/07/571767107.db2.gz CEIVLWVVDDLERA-IUCAKERBSA-N 1 0 139.242 1.771 50 0 ADAARO [NH3+]CC1C[C@H]2CCC[C@@H]2C1 18425088 571768810 /nfs/dbraw/zinc/76/88/10/571768810.db2.gz CEIVLWVVDDLERA-RKDXNWHRSA-N 1 0 139.242 1.771 50 0 ADAARO c1ccc2c(c1)OC[C@H]1[NH2+]CCO[C@@H]21 37405155 571777152 /nfs/dbraw/zinc/77/71/52/571777152.db2.gz APGGCYIPVZEROY-KOLCDFICSA-N 1 0 191.230 1.109 50 0 ADAARO Cc1cc2ccccn2c1CC[NH3+] 1842318 571787479 /nfs/dbraw/zinc/78/74/79/571787479.db2.gz KNSBRGGQIDZCCQ-UHFFFAOYSA-N 1 0 174.247 1.749 50 0 ADAARO C[C@H]1CCCCCC[NH2+]1 104620884 571797416 /nfs/dbraw/zinc/79/74/16/571797416.db2.gz MHEHELVTSIPICT-QMMMGPOBSA-N 1 0 127.231 1.929 50 0 ADAARO C[C@@H]1CCCCCC[NH2+]1 104620881 571797718 /nfs/dbraw/zinc/79/77/18/571797718.db2.gz MHEHELVTSIPICT-MRVPVSSYSA-N 1 0 127.231 1.929 50 0 ADAARO C[C@@H]1[NH2+]CCc2ccncc21 20972130 571801188 /nfs/dbraw/zinc/80/11/88/571801188.db2.gz CKYIOAJSFVJANT-ZETCQYMHSA-N 1 0 148.209 1.288 50 0 ADAARO C[C@H]1[NH2+]CCc2ccncc21 20972135 571801791 /nfs/dbraw/zinc/80/17/91/571801791.db2.gz CKYIOAJSFVJANT-SSDOTTSWSA-N 1 0 148.209 1.288 50 0 ADAARO NC(=[NH2+])c1ccccc1C(F)F 107267605 571803509 /nfs/dbraw/zinc/80/35/09/571803509.db2.gz NSSBHXKFYVJXOG-UHFFFAOYSA-N 1 0 170.162 1.908 50 0 ADAARO [NH3+][C@H]1CCCCCC[C@@H]1O 5124746 571833017 /nfs/dbraw/zinc/83/30/17/571833017.db2.gz DUJAFYDYPPBLOY-YUMQZZPRSA-N 1 0 143.230 1.029 50 0 ADAARO CC1CCC([NH+]2CCOCC2)CC1 4996397 571833022 /nfs/dbraw/zinc/83/30/22/571833022.db2.gz QKPRCVOZWUXACH-UHFFFAOYSA-N 1 0 183.295 1.897 50 0 ADAARO Nc1cc[nH+]cc1CCF 207077672 571870868 /nfs/dbraw/zinc/87/08/68/571870868.db2.gz POCCCIUKCODZDV-UHFFFAOYSA-N 1 0 140.161 1.176 50 0 ADAARO CC(C)[C@H]([NH3+])C1(O)CCCC1 39059931 571876392 /nfs/dbraw/zinc/87/63/92/571876392.db2.gz SOKHQOKYYFUDAW-QMMMGPOBSA-N 1 0 157.257 1.275 50 0 ADAARO C[NH+](C)CCc1ccc2c(c1)OCO2 196387010 571891076 /nfs/dbraw/zinc/89/10/76/571891076.db2.gz GWQGGJKNIBZRAG-UHFFFAOYSA-N 1 0 193.246 1.519 50 0 ADAARO CCC[N@H+](C)C1CCN(C(C)=O)CC1 32547888 571908608 /nfs/dbraw/zinc/90/86/08/571908608.db2.gz MHKSOJHDDUCKHF-UHFFFAOYSA-N 1 0 198.310 1.339 50 0 ADAARO CCC(O)(CC)[C@H]([NH3+])C(C)C 39216621 571909124 /nfs/dbraw/zinc/90/91/24/571909124.db2.gz NGTZZLFIMHYSSJ-MRVPVSSYSA-N 1 0 159.273 1.521 50 0 ADAARO CCC(O)(CC)[C@@H]([NH3+])C(C)C 39216622 571909887 /nfs/dbraw/zinc/90/98/87/571909887.db2.gz NGTZZLFIMHYSSJ-QMMMGPOBSA-N 1 0 159.273 1.521 50 0 ADAARO C[NH+](C)[C@H]1c2ccccc2CC[C@@H]1O 39214437 571910912 /nfs/dbraw/zinc/91/09/12/571910912.db2.gz ZAQRZIOJHJSUMA-RYUDHWBXSA-N 1 0 191.274 1.596 50 0 ADAARO C1CC[C@H]2OC[NH2+]C[C@@H]2C1 39258457 571917648 /nfs/dbraw/zinc/91/76/48/571917648.db2.gz FUZGOPSYMYKTHO-JGVFFNPUSA-N 1 0 141.214 1.123 50 0 ADAARO C1CC[C@H]2OC[NH2+]C[C@H]2C1 39258459 571917790 /nfs/dbraw/zinc/91/77/90/571917790.db2.gz FUZGOPSYMYKTHO-HTQZYQBOSA-N 1 0 141.214 1.123 50 0 ADAARO [NH3+]C12CCCC1CCC2 39475052 571929272 /nfs/dbraw/zinc/92/92/72/571929272.db2.gz GFVTZQJYRIWSOJ-UHFFFAOYSA-N 1 0 125.215 1.668 50 0 ADAARO [NH3+][C@@H]1CC[C@@H](O)C2(CCCC2)C1 76597470 571954597 /nfs/dbraw/zinc/95/45/97/571954597.db2.gz FLDMYUOVPGWYCK-RKDXNWHRSA-N 1 0 169.268 1.419 50 0 ADAARO [NH3+][C@H]1CCC=CCCC1 59661735 571963776 /nfs/dbraw/zinc/96/37/76/571963776.db2.gz UXMYYKFEKRUJDZ-QMMMGPOBSA-N 1 0 125.215 1.834 50 0 ADAARO [NH3+][C@@H]1CCC=CCCC1 59661742 571963974 /nfs/dbraw/zinc/96/39/74/571963974.db2.gz UXMYYKFEKRUJDZ-MRVPVSSYSA-N 1 0 125.215 1.834 50 0 ADAARO Cc1cccc(-c2c[nH]c(C[NH3+])n2)c1 41046991 571967583 /nfs/dbraw/zinc/96/75/83/571967583.db2.gz AIOUCVQUJUKASD-UHFFFAOYSA-N 1 0 187.246 1.844 50 0 ADAARO CC[NH2+]Cc1ccccc1OCCO 34658633 572008420 /nfs/dbraw/zinc/00/84/20/572008420.db2.gz UKHMSKAQHGFOQH-UHFFFAOYSA-N 1 0 195.262 1.167 50 0 ADAARO CCC[NH+]1CCCC1 14684364 572015438 /nfs/dbraw/zinc/01/54/38/572015438.db2.gz HLNRRPIYRBBHSQ-UHFFFAOYSA-N 1 0 113.204 1.492 50 0 ADAARO C=CC(=O)NCCC[NH+](CC)CC 36334113 572056422 /nfs/dbraw/zinc/05/64/22/572056422.db2.gz GFOCCLOYMMHTIU-UHFFFAOYSA-N 1 0 184.283 1.021 50 0 ADAARO CCOC(=O)C[C@@H]([NH3+])CC(C)(C)C 36459231 572059579 /nfs/dbraw/zinc/05/95/79/572059579.db2.gz BYCLFRCPJXXKDT-MRVPVSSYSA-N 1 0 187.283 1.703 50 0 ADAARO CCOC(=O)C[C@H]([NH3+])CC(C)(C)C 36459230 572060054 /nfs/dbraw/zinc/06/00/54/572060054.db2.gz BYCLFRCPJXXKDT-QMMMGPOBSA-N 1 0 187.283 1.703 50 0 ADAARO [NH3+]Cc1ccc(SCCO)cc1 82616164 572073934 /nfs/dbraw/zinc/07/39/34/572073934.db2.gz VMKCNRGZBPVZBL-UHFFFAOYSA-N 1 0 183.276 1.230 50 0 ADAARO CC1(C)C[NH2+]CC(C)(C)C1O 34419779 572080948 /nfs/dbraw/zinc/08/09/48/572080948.db2.gz HWORGAXUKTTWOD-UHFFFAOYSA-N 1 0 157.257 1.003 50 0 ADAARO OCC[C@@H]1Cc2ccccc2C[NH2+]1 39321559 572131679 /nfs/dbraw/zinc/13/16/79/572131679.db2.gz WKACBLSJQCIWIQ-LLVKDONJSA-N 1 0 177.247 1.083 50 0 ADAARO C[C@@H]1[NH2+][C@H](C)Cc2cc(O)ccc21 71491318 572132002 /nfs/dbraw/zinc/13/20/02/572132002.db2.gz HFWHMUNVLOHGKP-SFYZADRCSA-N 1 0 177.247 1.987 50 0 ADAARO C[C@@H]1Cc2cc(O)ccc2[C@@H](C)[NH2+]1 71491322 572132901 /nfs/dbraw/zinc/13/29/01/572132901.db2.gz HFWHMUNVLOHGKP-HTQZYQBOSA-N 1 0 177.247 1.987 50 0 ADAARO C[C@H]1Cc2cc(O)ccc2[C@H](C)[NH2+]1 71491320 572133568 /nfs/dbraw/zinc/13/35/68/572133568.db2.gz HFWHMUNVLOHGKP-YUMQZZPRSA-N 1 0 177.247 1.987 50 0 ADAARO C[C@H]1Cc2cc(O)ccc2[C@@H](C)[NH2+]1 71491324 572133831 /nfs/dbraw/zinc/13/38/31/572133831.db2.gz HFWHMUNVLOHGKP-JGVFFNPUSA-N 1 0 177.247 1.987 50 0 ADAARO C[NH2+]CCN(C)c1cccc(Cl)c1 69802869 572147314 /nfs/dbraw/zinc/14/73/14/572147314.db2.gz MSFFAAOXVLBKOI-UHFFFAOYSA-N 1 0 198.697 1.996 50 0 ADAARO CC(C)SCC[NH3+] 19423396 572184656 /nfs/dbraw/zinc/18/46/56/572184656.db2.gz QDMWHNBXADHQCO-UHFFFAOYSA-N 1 0 119.233 1.087 50 0 in-vitro ADAARO c1ccc(NC2CC[NH2+]CC2)nc1 19518104 572186694 /nfs/dbraw/zinc/18/66/94/572186694.db2.gz SBSLCPHONZWKIE-UHFFFAOYSA-N 1 0 177.251 1.246 50 0 in-vitro ADAARO CN(CC[NH+](C)C)Cc1cccnc1 19607239 572190180 /nfs/dbraw/zinc/19/01/80/572190180.db2.gz PMRPGKYVCHUYDP-UHFFFAOYSA-N 1 0 193.294 1.075 50 0 ADAARO C[NH2+]CCC(=O)OCc1ccccc1 43599417 572203097 /nfs/dbraw/zinc/20/30/97/572203097.db2.gz KQBGDCVMTJLIDU-UHFFFAOYSA-N 1 0 193.246 1.339 50 0 ADAARO CC(C)([NH3+])COc1ccccc1 20398439 572216850 /nfs/dbraw/zinc/21/68/50/572216850.db2.gz JOHWYXUNMQNSSC-UHFFFAOYSA-N 1 0 165.236 1.803 50 0 ADAARO c1ncc([C@@H]2CCCC[NH2+]2)s1 20440323 572221553 /nfs/dbraw/zinc/22/15/53/572221553.db2.gz ACFGSMHWXWRCKK-ZETCQYMHSA-N 1 0 168.265 1.958 50 0 ADAARO c1ncc([C@H]2CCCC[NH2+]2)s1 20440327 572223419 /nfs/dbraw/zinc/22/34/19/572223419.db2.gz ACFGSMHWXWRCKK-SSDOTTSWSA-N 1 0 168.265 1.958 50 0 ADAARO c1ccc([C@H]2[NH2+]C[C@H]3C[C@H]32)cc1 36922666 572231760 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/nfs/dbraw/zinc/76/62/16/573766216.db2.gz AHWDERNMTHUBSY-SSDOTTSWSA-N 1 0 141.214 1.047 50 0 ADAARO CC(C)C[C@@H]1CC[NH2+]1 84178782 573785130 /nfs/dbraw/zinc/78/51/30/573785130.db2.gz DIHCBVQNXFTSMN-ZETCQYMHSA-N 1 0 113.204 1.394 50 0 ADAARO CC(C)(C)C[C@@H]1CC[NH2+]1 84178976 573785924 /nfs/dbraw/zinc/78/59/24/573785924.db2.gz VEEXSRTUECBKRA-ZETCQYMHSA-N 1 0 127.231 1.785 50 0 ADAARO CC(C)C[C@H]1CC[NH2+]1 84178783 573788528 /nfs/dbraw/zinc/78/85/28/573788528.db2.gz DIHCBVQNXFTSMN-SSDOTTSWSA-N 1 0 113.204 1.394 50 0 ADAARO C1CC2(CCSCC2)[NH2+]1 84303654 573817799 /nfs/dbraw/zinc/81/77/99/573817799.db2.gz PVCAOJSCFWOICP-UHFFFAOYSA-N 1 0 143.255 1.246 50 0 ADAARO CCCCC1(O)CCC([NH3+])CC1 84323508 573825171 /nfs/dbraw/zinc/82/51/71/573825171.db2.gz FKJILXQUGLSGQE-UHFFFAOYSA-N 1 0 171.284 1.809 50 0 ADAARO C1C[NH2+][C@H]2CC[C@H]2C1 79630023 573863136 /nfs/dbraw/zinc/86/31/36/573863136.db2.gz JRDCSGYCSVDPPK-RQJHMYQMSA-N 1 0 111.188 1.148 50 0 ADAARO CO[C@@H]1CC[NH2+][C@@H](C2CC2)C1 258440702 573867660 /nfs/dbraw/zinc/86/76/60/573867660.db2.gz DYFYFHFRVZJVAJ-RKDXNWHRSA-N 1 0 155.241 1.163 50 0 ADAARO CO[C@H]1CC[NH2+][C@H](C2CC2)C1 258440690 573868436 /nfs/dbraw/zinc/86/84/36/573868436.db2.gz DYFYFHFRVZJVAJ-IUCAKERBSA-N 1 0 155.241 1.163 50 0 ADAARO Clc1ccc(C2C[NH2+]C2)nc1 238562648 573889227 /nfs/dbraw/zinc/88/92/27/573889227.db2.gz MOAARRKDFJYODL-UHFFFAOYSA-N 1 0 168.627 1.422 50 0 ADAARO CC1([C@@]2(C)C[C@@H]2[NH3+])CC1 87366479 573899976 /nfs/dbraw/zinc/89/99/76/573899976.db2.gz MZOJCTLXKPJMNY-XPUUQOCRSA-N 1 0 125.215 1.524 50 0 ADAARO COC(=O)C1(C(C)C)CC[NH2+]CC1 215500872 573908075 /nfs/dbraw/zinc/90/80/75/573908075.db2.gz VHLLBFXKQDJJQX-UHFFFAOYSA-N 1 0 185.267 1.185 50 0 ADAARO COC(=O)[C@@H]1CCC[C@H]([NH3+])CC1 215471196 573918211 /nfs/dbraw/zinc/91/82/11/573918211.db2.gz NBWDADGCWZGJAF-SFYZADRCSA-N 1 0 171.240 1.067 50 0 ADAARO COC(=O)[C@](C)([NH3+])C1CCCC1 215467277 573917362 /nfs/dbraw/zinc/91/73/62/573917362.db2.gz XMAQSPHKQMOPHS-SECBINFHSA-N 1 0 171.240 1.067 50 0 ADAARO C1CC2(CCOCC2)C2(CC2)[NH2+]1 258460494 573932758 /nfs/dbraw/zinc/93/27/58/573932758.db2.gz HCYXPXUPLWOVRL-UHFFFAOYSA-N 1 0 167.252 1.309 50 0 ADAARO Cc1cc(Cl)cn2cc(C[NH3+])nc12 76793143 573961180 /nfs/dbraw/zinc/96/11/80/573961180.db2.gz RRYMCBKBTQNYEJ-UHFFFAOYSA-N 1 0 195.653 1.755 50 0 ADAARO CCC[C@@H]([NH3+])C1(O)CCCCC1 238224212 573980799 /nfs/dbraw/zinc/98/07/99/573980799.db2.gz JQNWCARQBICWJS-SECBINFHSA-N 1 0 171.284 1.809 50 0 ADAARO CCOC1(C[NH3+])CCSCC1 85099540 573981281 /nfs/dbraw/zinc/98/12/81/573981281.db2.gz BTYPSFSVEZETHS-UHFFFAOYSA-N 1 0 175.297 1.247 50 0 ADAARO CO[C@@H](C[NH3+])CC(C)(C)C 85100115 573981957 /nfs/dbraw/zinc/98/19/57/573981957.db2.gz YGNORSJMMMSSQT-SSDOTTSWSA-N 1 0 145.246 1.396 50 0 ADAARO CO[C@H](C[NH3+])CC(C)(C)C 85100113 573983067 /nfs/dbraw/zinc/98/30/67/573983067.db2.gz YGNORSJMMMSSQT-ZETCQYMHSA-N 1 0 145.246 1.396 50 0 ADAARO CCC[C@H]([NH3+])C1(O)CCCCC1 238239070 574003334 /nfs/dbraw/zinc/00/33/34/574003334.db2.gz JQNWCARQBICWJS-VIFPVBQESA-N 1 0 171.284 1.809 50 0 ADAARO CC1(C)CC[C@]2(CC[NH2+]2)C1 87773833 574029968 /nfs/dbraw/zinc/02/99/68/574029968.db2.gz IPSSVRMDMQUVQD-VIFPVBQESA-N 1 0 139.242 1.929 50 0 ADAARO Cn1c(N)[nH+]c2c3cccnc3ccc21 13282307 574413058 /nfs/dbraw/zinc/41/30/58/574413058.db2.gz ARZWATDYIYAUTA-UHFFFAOYSA-N 1 0 198.229 1.704 50 0 endogenous,in-man ADAARO [NH3+]Cc1cc(C(F)F)ccn1 213762095 575189198 /nfs/dbraw/zinc/18/91/98/575189198.db2.gz HJUAYEFRDUKOCI-UHFFFAOYSA-N 1 0 158.151 1.478 50 0 ADAARO CCCCCC[n+]1ccn(C)c1 2506533 486708676 /nfs/dbraw/zinc/70/86/76/486708676.db2.gz RVEJOWGVUQQIIZ-UHFFFAOYSA-N 1 0 167.276 1.893 50 0 in-vitro ADAARO Cc1ccc2ncc(C[NH+](C)C)n2c1 3884423 486709063 /nfs/dbraw/zinc/70/90/63/486709063.db2.gz UIANWMYNGANQOS-UHFFFAOYSA-N 1 0 189.262 1.704 50 0 ADAARO C[C@H]1C[NH2+]C[C@H](C)N1c1ccccc1 5159295 486709339 /nfs/dbraw/zinc/70/93/39/486709339.db2.gz NHVSHMWHWIPYOL-QWRGUYRKSA-N 1 0 190.290 1.873 50 0 ADAARO CCC[N@H+](C)CC(C)(C)CO 17666124 486712001 /nfs/dbraw/zinc/71/20/01/486712001.db2.gz WJLUJQYAHBNFAV-UHFFFAOYSA-N 1 0 159.273 1.347 50 0 ADAARO Cc1ccc(F)c(OCC[NH3+])c1F 670427225 486740580 /nfs/dbraw/zinc/74/05/80/486740580.db2.gz YYKDQYFKQVZKRS-UHFFFAOYSA-N 1 0 187.189 1.611 50 0 ADAARO Cc1ccc(CN(C)CC[NH3+])s1 54416842 486756581 /nfs/dbraw/zinc/75/65/81/486756581.db2.gz NUQXVEJACVPJNJ-UHFFFAOYSA-N 1 0 184.308 1.447 50 0 ADAARO c1ccc2[nH]c(C3C[NH2+]C3)nc2c1 61957883 486764191 /nfs/dbraw/zinc/76/41/91/486764191.db2.gz UEPRLXODFILGGR-UHFFFAOYSA-N 1 0 173.219 1.250 50 0 in-vitro ADAARO CC[C@@H]([NH3+])C(=O)Nc1ccc(C)nc1 82247655 486808902 /nfs/dbraw/zinc/80/89/02/486808902.db2.gz WFXAHCMXHIOECW-SECBINFHSA-N 1 0 193.250 1.066 50 0 ADAARO Cc1nc2c(CC[NH3+])cccc2o1 82398767 486811682 /nfs/dbraw/zinc/81/16/82/486811682.db2.gz NBOQPHDHUGMWDD-UHFFFAOYSA-N 1 0 176.219 1.637 50 0 ADAARO Cc1cnc(C[NH3+])c(C)c1Cl 82855336 486827562 /nfs/dbraw/zinc/82/75/62/486827562.db2.gz DBMIWJJRZPPXTM-UHFFFAOYSA-N 1 0 170.643 1.811 50 0 ADAARO CC[C@@H](C[NH3+])C(=O)OC(C)(C)C 83593611 486838620 /nfs/dbraw/zinc/83/86/20/486838620.db2.gz BBYKVBSBWJNBCG-ZETCQYMHSA-N 1 0 173.256 1.313 50 0 ADAARO CC[C@H](C[NH3+])C(=O)OC(C)(C)C 83593612 486839006 /nfs/dbraw/zinc/83/90/06/486839006.db2.gz BBYKVBSBWJNBCG-SSDOTTSWSA-N 1 0 173.256 1.313 50 0 ADAARO Cc1cccc(C2=CC[NH2+]CC2)n1 84332741 486859096 /nfs/dbraw/zinc/85/90/96/486859096.db2.gz JRFWNZGVRSGFNF-UHFFFAOYSA-N 1 0 174.247 1.767 50 0 ADAARO CC[C@@H]([NH3+])C(=O)Nc1cccnc1C 85727881 486869995 /nfs/dbraw/zinc/86/99/95/486869995.db2.gz OWRPJOIBTZXMDQ-MRVPVSSYSA-N 1 0 193.250 1.066 50 0 ADAARO CCN(CC[NH3+])Cc1cccc(O)c1 87183453 486891859 /nfs/dbraw/zinc/89/18/59/486891859.db2.gz HDBHQRAWIBGBRW-UHFFFAOYSA-N 1 0 194.278 1.173 50 0 ADAARO O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccon1 88053908 486909293 /nfs/dbraw/zinc/90/92/93/486909293.db2.gz NAOFRYNDHWTVQN-NXEZZACHSA-N 1 0 196.250 1.068 50 0 ADAARO CC(=O)N1CCCC12CC[NH+](C)CC2 678177450 486924907 /nfs/dbraw/zinc/92/49/07/486924907.db2.gz WUPTUGFVSKCYSP-UHFFFAOYSA-N 1 0 196.294 1.093 50 0 ADAARO C[NH2+]C[C@@H]1OCCc2sccc21 198466008 487014319 /nfs/dbraw/zinc/01/43/19/487014319.db2.gz WOBIRCYOVUUDGG-QMMMGPOBSA-N 1 0 183.276 1.581 50 0 ADAARO C[C@@]1(C[NH3+])OCCc2sccc21 198483123 487014485 /nfs/dbraw/zinc/01/44/85/487014485.db2.gz NIBDYNBWJDEMKA-VIFPVBQESA-N 1 0 183.276 1.495 50 0 in-vitro ADAARO C[C@]1(C[NH3+])OCCc2sccc21 198483132 487014764 /nfs/dbraw/zinc/01/47/64/487014764.db2.gz NIBDYNBWJDEMKA-SECBINFHSA-N 1 0 183.276 1.495 50 0 in-vitro ADAARO C[NH2+]C[C@H]1OCCc2sccc21 198466038 487014789 /nfs/dbraw/zinc/01/47/89/487014789.db2.gz WOBIRCYOVUUDGG-MRVPVSSYSA-N 1 0 183.276 1.581 50 0 ADAARO CCC(=O)NC1CCC([NH+](C)C)CC1 205671806 487020331 /nfs/dbraw/zinc/02/03/31/487020331.db2.gz YRVWNTPHASLQSI-UHFFFAOYSA-N 1 0 198.310 1.385 50 0 ADAARO OC[C@]12CCCC[C@@H]1[NH2+]CCC2 215128287 487025509 /nfs/dbraw/zinc/02/55/09/487025509.db2.gz BKGCNMBKYIKJML-VHSXEESVSA-N 1 0 169.268 1.291 50 0 ADAARO OC[C@]12CCCC[C@H]1[NH2+]CCC2 215128190 487025522 /nfs/dbraw/zinc/02/55/22/487025522.db2.gz BKGCNMBKYIKJML-NXEZZACHSA-N 1 0 169.268 1.291 50 0 ADAARO OCc1ccc([C@@H]2CCC[NH2+]C2)cc1 214653973 487025545 /nfs/dbraw/zinc/02/55/45/487025545.db2.gz DFEODOCTTYXQNJ-GFCCVEGCSA-N 1 0 191.274 1.646 50 0 ADAARO OC[C@@]12CCCC[C@@H]1[NH2+]CCC2 215128333 487025670 /nfs/dbraw/zinc/02/56/70/487025670.db2.gz BKGCNMBKYIKJML-UWVGGRQHSA-N 1 0 169.268 1.291 50 0 ADAARO OCc1ccc([C@H]2CCC[NH2+]C2)cc1 214654023 487025728 /nfs/dbraw/zinc/02/57/28/487025728.db2.gz DFEODOCTTYXQNJ-LBPRGKRZSA-N 1 0 191.274 1.646 50 0 ADAARO OC[C@@]12CCCC[C@H]1[NH2+]CCC2 215128238 487026031 /nfs/dbraw/zinc/02/60/31/487026031.db2.gz BKGCNMBKYIKJML-ZJUUUORDSA-N 1 0 169.268 1.291 50 0 ADAARO CC(C)n1cc(C2CC[NH2+]CC2)nn1 214777285 487026151 /nfs/dbraw/zinc/02/61/51/487026151.db2.gz KOUJKABKVHXRJY-UHFFFAOYSA-N 1 0 194.282 1.326 50 0 ADAARO [NH3+]Cc1cc(C(F)F)on1 257936863 487133919 /nfs/dbraw/zinc/13/39/19/487133919.db2.gz CMEHBKOSMJDFNN-UHFFFAOYSA-N 1 0 148.112 1.071 50 0 ADAARO CC(C)[C@H]([NH3+])C1(CO)CCCC1 299805324 487139420 /nfs/dbraw/zinc/13/94/20/487139420.db2.gz JBHTUPDKPTWBLI-VIFPVBQESA-N 1 0 171.284 1.522 50 0 ADAARO C[NH+](C)C1(CNC(=O)C(C)(C)C)CC1 397840988 487280658 /nfs/dbraw/zinc/28/06/58/487280658.db2.gz QMEBYUWZVHTDOE-UHFFFAOYSA-N 1 0 198.310 1.243 50 0 ADAARO CCOc1ccc(CC[NH2+]C)cc1 5863362 582539852 /nfs/dbraw/zinc/53/98/52/582539852.db2.gz IRPMCTOEVDGBKW-UHFFFAOYSA-N 1 0 179.263 1.847 50 0 ADAARO CC[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)OC 144973792 582541258 /nfs/dbraw/zinc/54/12/58/582541258.db2.gz XZDABKUEPPUANI-VGMNWLOBSA-N 1 0 185.267 1.313 50 0 ADAARO C[C@@H]1CCC[C@@H](NC(N)=[NH2+])[C@@H]1C 195567105 582677188 /nfs/dbraw/zinc/67/71/88/582677188.db2.gz WKZQSPQMDKGHLK-BWZBUEFSSA-N 1 0 169.272 1.294 50 0 ADAARO C[C@@]12CC[C@@H](C[NH2+]1)C2 115696405 582693028 /nfs/dbraw/zinc/69/30/28/582693028.db2.gz VKOSSFJBYDTLEC-RQJHMYQMSA-N 1 0 111.188 1.148 50 0 ADAARO [NH3+]Cc1sncc1Br 213661112 582705670 /nfs/dbraw/zinc/70/56/70/582705670.db2.gz PVGREBNMTPTWQI-UHFFFAOYSA-N 1 0 193.069 1.364 50 0 ADAARO C[C@H]([NH3+])COCC1CCCCC1 52152105 582713607 /nfs/dbraw/zinc/71/36/07/582713607.db2.gz OJQSUKJVWQVMBZ-VIFPVBQESA-N 1 0 171.284 1.931 50 0 ADAARO c1ccc([C@@H]2CCOC[NH2+]2)cc1 197045267 582714083 /nfs/dbraw/zinc/71/40/83/582714083.db2.gz XVACPNIMOZAZCJ-JTQLQIEISA-N 1 0 163.220 1.695 50 0 ADAARO c1ccc([C@H]2CCOC[NH2+]2)cc1 197045277 582714128 /nfs/dbraw/zinc/71/41/28/582714128.db2.gz XVACPNIMOZAZCJ-SNVBAGLBSA-N 1 0 163.220 1.695 50 0 ADAARO C[C@@]1(C[NH3+])C=CCCC1 757175383 582949464 /nfs/dbraw/zinc/94/94/64/582949464.db2.gz GTIKPAGLTHZHBK-MRVPVSSYSA-N 1 0 125.215 1.692 50 0 ADAARO C[C@]1(C[NH3+])C=CCCC1 757175385 582949668 /nfs/dbraw/zinc/94/96/68/582949668.db2.gz GTIKPAGLTHZHBK-QMMMGPOBSA-N 1 0 125.215 1.692 50 0 ADAARO NC[C@H]1C[C@H](C2CCCCC2)CC[NH2+]1 757215500 582952687 /nfs/dbraw/zinc/95/26/87/582952687.db2.gz VNGBTOIETVZGDR-VXGBXAGGSA-N 1 0 196.338 1.894 50 0 ADAARO NC[C@H]1C[C@@H](C2CCCCC2)CC[NH2+]1 757215497 582953247 /nfs/dbraw/zinc/95/32/47/582953247.db2.gz VNGBTOIETVZGDR-NWDGAFQWSA-N 1 0 196.338 1.894 50 0 ADAARO NC[C@@H]1C[C@@H](C2CCCCC2)CC[NH2+]1 757215499 582953403 /nfs/dbraw/zinc/95/34/03/582953403.db2.gz VNGBTOIETVZGDR-RYUDHWBXSA-N 1 0 196.338 1.894 50 0 ADAARO NC[C@@H]1C[C@H](C2CCCCC2)CC[NH2+]1 757215496 582953568 /nfs/dbraw/zinc/95/35/68/582953568.db2.gz VNGBTOIETVZGDR-NEPJUHHUSA-N 1 0 196.338 1.894 50 0 ADAARO [NH3+]Cc1ccc(N2CCCC2)cn1 122358026 583339838 /nfs/dbraw/zinc/33/98/38/583339838.db2.gz IUTDTJHXEVTFIL-UHFFFAOYSA-N 1 0 177.251 1.141 50 0 in-vitro ADAARO CCN(CC)c1ccc(C[NH3+])nc1 122358311 583339874 /nfs/dbraw/zinc/33/98/74/583339874.db2.gz ZKEMJWPBVZJOKE-UHFFFAOYSA-N 1 0 179.267 1.387 50 0 ADAARO CCCN(C)c1ccc(C[NH3+])nc1 122367633 583339973 /nfs/dbraw/zinc/33/99/73/583339973.db2.gz MBBWDZLVJDDYMM-UHFFFAOYSA-N 1 0 179.267 1.387 50 0 ADAARO CC1=NN/C(=C2\C=CC=CC2=[NH2+])O1 102580828 583420457 /nfs/dbraw/zinc/42/04/57/583420457.db2.gz KOBURZFWHGPJBW-FWMMZFIKSA-N 1 0 175.191 1.297 50 0 ADAARO CC(C)(F)[C@@H]1CC[NH2+]C1 211667500 583444845 /nfs/dbraw/zinc/44/48/45/583444845.db2.gz CPFFLIGUVDYFIR-ZCFIWIBFSA-N 1 0 131.194 1.344 50 0 ADAARO CC(C)(F)[C@H]1CC[NH2+]C1 211667574 583445117 /nfs/dbraw/zinc/44/51/17/583445117.db2.gz CPFFLIGUVDYFIR-LURJTMIESA-N 1 0 131.194 1.344 50 0 ADAARO CC(F)(F)C1([NH3+])CC1 213538951 583458128 /nfs/dbraw/zinc/45/81/28/583458128.db2.gz UFRDYWNFIRWWFF-UHFFFAOYSA-N 1 0 121.130 1.133 50 0 ADAARO C[C@@]1([NH3+])CCC(F)(F)C1 213576439 583458295 /nfs/dbraw/zinc/45/82/95/583458295.db2.gz KDRXWGKMPVQOAB-RXMQYKEDSA-N 1 0 135.157 1.523 50 0 ADAARO C[C@]1([NH3+])CCC(F)(F)C1 213576382 583458480 /nfs/dbraw/zinc/45/84/80/583458480.db2.gz KDRXWGKMPVQOAB-YFKPBYRVSA-N 1 0 135.157 1.523 50 0 ADAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1C1CCCC1 215490271 583478444 /nfs/dbraw/zinc/47/84/44/583478444.db2.gz KPIUHVBJTRCKNY-VHSXEESVSA-N 1 0 197.278 1.185 50 0 ADAARO F[C@@H]1C[NH2+]C[C@@H]1Cc1ccccc1 216214580 583484097 /nfs/dbraw/zinc/48/40/97/583484097.db2.gz HOJSMPKVGBZMFI-WDEREUQCSA-N 1 0 179.238 1.787 50 0 ADAARO CC(C)[NH2+]C[C@@H](N)c1ccccc1 40407387 490014148 /nfs/dbraw/zinc/01/41/48/490014148.db2.gz KPLOCVWYJHHTAZ-LLVKDONJSA-N 1 0 178.279 1.684 50 0 ADAARO CC(C)[NH2+]C[C@H](N)c1ccccc1 40407384 490014297 /nfs/dbraw/zinc/01/42/97/490014297.db2.gz KPLOCVWYJHHTAZ-NSHDSACASA-N 1 0 178.279 1.684 50 0 ADAARO CC[NH2+][C@H]1C(=O)N(C)c2ccccc21 42063298 490014634 /nfs/dbraw/zinc/01/46/34/490014634.db2.gz POGRGMKHVZWTPR-SNVBAGLBSA-N 1 0 190.246 1.314 50 0 ADAARO c1csc(CC[NH2+][C@H]2CCOC2)c1 70964011 490018949 /nfs/dbraw/zinc/01/89/49/490018949.db2.gz FEDLFNVDYTXQHG-VIFPVBQESA-N 1 0 197.303 1.669 50 0 ADAARO c1csc(CC[NH2+][C@@H]2CCOC2)c1 70964006 490019153 /nfs/dbraw/zinc/01/91/53/490019153.db2.gz FEDLFNVDYTXQHG-SECBINFHSA-N 1 0 197.303 1.669 50 0 ADAARO C[C@@H]1C[C@H]([NH3+])CCS1 75524145 490022498 /nfs/dbraw/zinc/02/24/98/490022498.db2.gz RLOPZAYMZJSOKM-PHDIDXHHSA-N 1 0 131.244 1.229 50 0 ADAARO C[C@@H]1C[C@@H]([NH3+])CCS1 75524152 490022582 /nfs/dbraw/zinc/02/25/82/490022582.db2.gz RLOPZAYMZJSOKM-RITPCOANSA-N 1 0 131.244 1.229 50 0 ADAARO CC[NH2+][C@@H]1C(=O)N(C)c2ccccc21 104888271 490027271 /nfs/dbraw/zinc/02/72/71/490027271.db2.gz POGRGMKHVZWTPR-JTQLQIEISA-N 1 0 190.246 1.314 50 0 ADAARO CC(C)C[NH2+]Cc1cccc(CO)c1 127624340 490043094 /nfs/dbraw/zinc/04/30/94/490043094.db2.gz HPENADRYQHSYPX-UHFFFAOYSA-N 1 0 193.290 1.925 50 0 ADAARO COC(=O)[C@H](C[NH3+])C1CCCCCC1 80654550 491021439 /nfs/dbraw/zinc/02/14/39/491021439.db2.gz RVWZYZQVGVNNIT-SNVBAGLBSA-N 1 0 199.294 1.705 50 0 ADAARO COC(=O)[C@@H](C[NH3+])C1CCCCCC1 80654547 491021450 /nfs/dbraw/zinc/02/14/50/491021450.db2.gz RVWZYZQVGVNNIT-JTQLQIEISA-N 1 0 199.294 1.705 50 0 ADAARO C1C[NH2+]C[C@@H](C2CCOCC2)C1 82401258 491022161 /nfs/dbraw/zinc/02/21/61/491022161.db2.gz XZSBNFBGNDGGOL-JTQLQIEISA-N 1 0 169.268 1.413 50 0 ADAARO CCc1noc([C@@H]2CC[C@@H]([NH3+])C2)n1 85007823 491026748 /nfs/dbraw/zinc/02/67/48/491026748.db2.gz MUWLMGYRXAWPAY-RNFRBKRXSA-N 1 0 181.239 1.227 50 0 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HIPFRWXSZJROES-ZETCQYMHSA-N 1 0 157.257 1.275 50 0 ADAARO CC(C)(C)[C@H]([NH3+])C1(O)CCCC1 150023790 697655956 /nfs/dbraw/zinc/65/59/56/697655956.db2.gz QVSUNLULOGJMAU-QMMMGPOBSA-N 1 0 171.284 1.665 50 0 ADAARO Cc1nc(C)c(C[NH+](C)C)s1 223692178 697687351 /nfs/dbraw/zinc/68/73/51/697687351.db2.gz UJVYDISMDTUBFU-UHFFFAOYSA-N 1 0 170.281 1.822 50 0 ADAARO CCOC(=O)C[C@@](C)([NH3+])[C@@H](C)CC 379354215 697836062 /nfs/dbraw/zinc/83/60/62/697836062.db2.gz HUHHZVRRHSNFCX-WCBMZHEXSA-N 1 0 187.283 1.703 50 0 ADAARO CCOC(=O)C[C@](C)([NH3+])[C@H](C)CC 379354214 697836138 /nfs/dbraw/zinc/83/61/38/697836138.db2.gz HUHHZVRRHSNFCX-SCZZXKLOSA-N 1 0 187.283 1.703 50 0 ADAARO CCOC(=O)C[C@@](C)([NH3+])[C@H](C)CC 379354213 697836227 /nfs/dbraw/zinc/83/62/27/697836227.db2.gz HUHHZVRRHSNFCX-PSASIEDQSA-N 1 0 187.283 1.703 50 0 ADAARO CCOC(=O)C[C@](C)([NH3+])[C@@H](C)CC 379354216 697836261 /nfs/dbraw/zinc/83/62/61/697836261.db2.gz HUHHZVRRHSNFCX-WPRPVWTQSA-N 1 0 187.283 1.703 50 0 ADAARO 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/nfs/dbraw/zinc/19/01/32/698190132.db2.gz QNVHTMLNFPEPRM-YFKPBYRVSA-N 1 0 185.189 1.427 50 0 ADAARO [NH3+][C@H](C1CCCC1)C1(O)CCCC1 958528489 698190152 /nfs/dbraw/zinc/19/01/52/698190152.db2.gz USUUKSRUTHMXMW-SNVBAGLBSA-N 1 0 183.295 1.809 50 0 ADAARO [NH3+][C@H](c1nccs1)C1(O)CCC1 958528339 698190167 /nfs/dbraw/zinc/19/01/67/698190167.db2.gz NFNFAJIEUGXNLR-ZCFIWIBFSA-N 1 0 184.264 1.058 50 0 ADAARO [NH3+][C@H](C1CCCCC1)C1(O)CCC1 958528414 698190175 /nfs/dbraw/zinc/19/01/75/698190175.db2.gz OHNMYYWLJRJARQ-SNVBAGLBSA-N 1 0 183.295 1.809 50 0 ADAARO CCC[C@H]([NH3+])[C@@]1(O)CCOC1(C)C 958528443 698190199 /nfs/dbraw/zinc/19/01/99/698190199.db2.gz SDPWBAZMIYQAGO-WPRPVWTQSA-N 1 0 187.283 1.044 50 0 ADAARO CC[C@@H]([NH3+])[C@@]1(O)CCC(C)(C)C1 958528369 698190206 /nfs/dbraw/zinc/19/02/06/698190206.db2.gz QFBWHDRZPWGLGV-PSASIEDQSA-N 1 0 171.284 1.665 50 0 ADAARO [NH3+][C@@H](C1CCCC1)C1(O)CCCC1 958528488 698190217 /nfs/dbraw/zinc/19/02/17/698190217.db2.gz USUUKSRUTHMXMW-JTQLQIEISA-N 1 0 183.295 1.809 50 0 ADAARO CC1(C)CC(O)([C@H]([NH3+])C2CCC2)C1 958528435 698190247 /nfs/dbraw/zinc/19/02/47/698190247.db2.gz RYFLQERXNFCEEP-SECBINFHSA-N 1 0 183.295 1.665 50 0 ADAARO CCC[C@@H]([NH3+])[C@@]1(O)CCOC1(C)C 958528440 698190252 /nfs/dbraw/zinc/19/02/52/698190252.db2.gz SDPWBAZMIYQAGO-SCZZXKLOSA-N 1 0 187.283 1.044 50 0 ADAARO CC[C@H]([NH3+])[C@@]1(O)CC(C)(C)C[C@@H]1C 958528773 698190265 /nfs/dbraw/zinc/19/02/65/698190265.db2.gz VCXHQRAIDLGOQF-ATZCPNFKSA-N 1 0 185.311 1.911 50 0 ADAARO CC[C@@H]([NH3+])C1(O)CCC(C)CC1 958528351 698190286 /nfs/dbraw/zinc/19/02/86/698190286.db2.gz QDXQSUKENNHKHS-HWOCKDDLSA-N 1 0 171.284 1.665 50 0 ADAARO CC[C@@H]([NH3+])[C@]1(O)CCC(C)(C)C1 958528370 698190299 /nfs/dbraw/zinc/19/02/99/698190299.db2.gz QFBWHDRZPWGLGV-SCZZXKLOSA-N 1 0 171.284 1.665 50 0 ADAARO [NH3+][C@@H](c1nccs1)C1(O)CCC1 958528338 698190320 /nfs/dbraw/zinc/19/03/20/698190320.db2.gz NFNFAJIEUGXNLR-LURJTMIESA-N 1 0 184.264 1.058 50 0 ADAARO [NH3+][C@@H](c1ccns1)C1(O)CCC1 958528529 698190370 /nfs/dbraw/zinc/19/03/70/698190370.db2.gz PTZLIUNFNUCRHE-ZETCQYMHSA-N 1 0 184.264 1.058 50 0 ADAARO CC(C)(C)C[C@@H]([NH3+])C1(O)CCC1 958528777 698190385 /nfs/dbraw/zinc/19/03/85/698190385.db2.gz VELZFILQBWKNEY-MRVPVSSYSA-N 1 0 171.284 1.665 50 0 ADAARO CC(C)(C)C[C@H]([NH3+])C1(O)CCC1 958528778 698190400 /nfs/dbraw/zinc/19/04/00/698190400.db2.gz VELZFILQBWKNEY-QMMMGPOBSA-N 1 0 171.284 1.665 50 0 ADAARO CCC[C@H]([NH3+])[C@]1(O)CCOC1(C)C 958528442 698190408 /nfs/dbraw/zinc/19/04/08/698190408.db2.gz SDPWBAZMIYQAGO-WCBMZHEXSA-N 1 0 187.283 1.044 50 0 ADAARO CC[C@H]([NH3+])[C@]1(O)CCC(C)(C)C1 958528372 698190419 /nfs/dbraw/zinc/19/04/19/698190419.db2.gz QFBWHDRZPWGLGV-WPRPVWTQSA-N 1 0 171.284 1.665 50 0 ADAARO CCC[C@@H]([NH3+])[C@]1(O)CCOC1(C)C 958528437 698190424 /nfs/dbraw/zinc/19/04/24/698190424.db2.gz SDPWBAZMIYQAGO-PSASIEDQSA-N 1 0 187.283 1.044 50 0 ADAARO CC(C)(O)[C@H]([NH3+])CCC(F)(F)F 958528556 698190465 /nfs/dbraw/zinc/19/04/65/698190465.db2.gz QNVHTMLNFPEPRM-RXMQYKEDSA-N 1 0 185.189 1.427 50 0 ADAARO CC[C@H]([NH3+])[C@]1(O)CC(C)(C)C[C@H]1C 958528776 698190488 /nfs/dbraw/zinc/19/04/88/698190488.db2.gz VCXHQRAIDLGOQF-YWVKMMECSA-N 1 0 185.311 1.911 50 0 ADAARO CC[C@H]([NH3+])[C@@]1(O)CC(C)(C)C[C@H]1C 958528775 698190444 /nfs/dbraw/zinc/19/04/44/698190444.db2.gz VCXHQRAIDLGOQF-WCABBAIRSA-N 1 0 185.311 1.911 50 0 ADAARO CC[C@H]([NH3+])[C@]1(O)CC(C)(C)C[C@@H]1C 958528774 698190447 /nfs/dbraw/zinc/19/04/47/698190447.db2.gz VCXHQRAIDLGOQF-QXEWZRGKSA-N 1 0 185.311 1.911 50 0 ADAARO [NH3+][C@H](c1ccns1)C1(O)CCC1 958528528 698190450 /nfs/dbraw/zinc/19/04/50/698190450.db2.gz PTZLIUNFNUCRHE-SSDOTTSWSA-N 1 0 184.264 1.058 50 0 ADAARO CC1(C)CC(O)([C@@H]([NH3+])C2CCC2)C1 958528436 698190458 /nfs/dbraw/zinc/19/04/58/698190458.db2.gz RYFLQERXNFCEEP-VIFPVBQESA-N 1 0 183.295 1.665 50 0 ADAARO CC[C@H]([NH3+])[C@@]1(O)CCC(C)(C)C1 958528371 698190461 /nfs/dbraw/zinc/19/04/61/698190461.db2.gz QFBWHDRZPWGLGV-WCBMZHEXSA-N 1 0 171.284 1.665 50 0 ADAARO [NH3+][C@@H]1CCC[C@@H]1Nc1ccccc1 148118975 325624566 /nfs/dbraw/zinc/62/45/66/325624566.db2.gz PXQWKOFRBURNCJ-MNOVXSKESA-N 1 0 176.263 1.978 50 0 ADAARO O=c1c2ccccc2cc2n1CC[NH2+]2 1577917 325595463 /nfs/dbraw/zinc/59/54/63/325595463.db2.gz IGCOPIWHEYBFST-UHFFFAOYSA-N 1 0 186.214 1.427 50 0 ADAARO Clc1ccc2c(c1)OCC[NH2+]C2 107129995 325618760 /nfs/dbraw/zinc/61/87/60/325618760.db2.gz ITJRVPUULCVICZ-UHFFFAOYSA-N 1 0 183.638 1.822 50 0 ADAARO Cc1ccccc1[C@@H]([NH3+])CF 107117562 325618764 /nfs/dbraw/zinc/61/87/64/325618764.db2.gz RKXCXOZFHQMEQG-VIFPVBQESA-N 1 0 153.200 1.964 50 0 ADAARO C[C@H]1C[NH2+]C[C@H](C)C1(F)F 258656867 325637846 /nfs/dbraw/zinc/63/78/46/325637846.db2.gz ZYRQFDWQZXHTCE-WDSKDSINSA-N 1 0 149.184 1.497 50 0 ADAARO C[NH+]1CCN(c2cccc(O)c2)CC1 13470058 132176814 /nfs/dbraw/zinc/17/68/14/132176814.db2.gz AISHPJPGKBKMGV-UHFFFAOYSA-N 1 0 192.262 1.144 50 0 ADAARO Cc1ccc(N2CC[NH2+]CC2)cc1C 66072 132177982 /nfs/dbraw/zinc/17/79/82/132177982.db2.gz SFLNVAVCCYTHCQ-UHFFFAOYSA-N 1 0 190.290 1.713 50 0 in-vitro ADAARO Cc1ccc(C)c(N2CC[NH2+]CC2)c1 156559 132178054 /nfs/dbraw/zinc/17/80/54/132178054.db2.gz YRIFWVMRUFKWLM-UHFFFAOYSA-N 1 0 190.290 1.713 50 0 in-vitro ADAARO Fc1ccccc1N1CC[NH2+]CC1 155125 132178181 /nfs/dbraw/zinc/17/81/81/132178181.db2.gz IVTZRJKKXSKXKO-UHFFFAOYSA-N 1 0 180.226 1.235 50 0 in-vivo ADAARO Fc1ccc(N2CC[NH2+]CC2)cc1 66094 132178251 /nfs/dbraw/zinc/17/82/51/132178251.db2.gz AVJKDKWRVSSJPK-UHFFFAOYSA-N 1 0 180.226 1.235 50 0 in-vitro ADAARO Cc1cccc(N2CC[NH2+]CC2)c1C 66069 132178278 /nfs/dbraw/zinc/17/82/78/132178278.db2.gz LIKXJDINUMWKQA-UHFFFAOYSA-N 1 0 190.290 1.713 50 0 in-vitro ADAARO Clc1ccc(N2CC[NH2+]CC2)cc1 66019 132178310 /nfs/dbraw/zinc/17/83/10/132178310.db2.gz UNEIHNMKASENIG-UHFFFAOYSA-N 1 0 196.681 1.750 50 0 in-vitro ADAARO C[C@H]1C[NH2+]CCN1c1ccccc1 393936 132178342 /nfs/dbraw/zinc/17/83/42/132178342.db2.gz DCRJYZGRZCZYJZ-JTQLQIEISA-N 1 0 176.263 1.485 50 0 ADAARO Cc1cccc(N2CC[NH2+]C[C@@H]2C)c1 266406 132178420 /nfs/dbraw/zinc/17/84/20/132178420.db2.gz QDMCWIHRLTVLIY-NSHDSACASA-N 1 0 190.290 1.793 50 0 in-vitro ADAARO Cc1cccc(N2CC[NH2+]CC2)c1 66066 132178434 /nfs/dbraw/zinc/17/84/34/132178434.db2.gz JIWHIRLNKIUYSM-UHFFFAOYSA-N 1 0 176.263 1.405 50 0 in-vitro ADAARO CC1=NN(C)c2cccc(C)[n+]2C1 386982 132178466 /nfs/dbraw/zinc/17/84/66/132178466.db2.gz RKRIILCYZUTYNH-UHFFFAOYSA-N 1 0 176.243 1.108 50 0 ADAARO c1ccc(N2CC[NH2+]CC2)cc1 120271 132178523 /nfs/dbraw/zinc/17/85/23/132178523.db2.gz YZTJYBJCZXZGCT-UHFFFAOYSA-N 1 0 162.236 1.096 50 0 in-vivo ADAARO Cc1cccc(N2CC[NH2+]C[C@H]2C)c1 266402 132178529 /nfs/dbraw/zinc/17/85/29/132178529.db2.gz QDMCWIHRLTVLIY-LLVKDONJSA-N 1 0 190.290 1.793 50 0 in-vitro ADAARO Cc1ccccc1N1CC[NH2+]CC1 66076 132178538 /nfs/dbraw/zinc/17/85/38/132178538.db2.gz WICKLEOONJPMEQ-UHFFFAOYSA-N 1 0 176.263 1.405 50 0 in-vitro ADAARO Cc1cc(N2CCCCC2)nc(N)[nH+]1 194216 132178551 /nfs/dbraw/zinc/17/85/51/132178551.db2.gz ZWVDHBALCSTSJN-UHFFFAOYSA-N 1 0 192.266 1.358 50 0 ADAARO Fc1ccc(N2CC[NH2+]CC2)c(F)c1 2149909 132178997 /nfs/dbraw/zinc/17/89/97/132178997.db2.gz CMCSPBOWEYUGHB-UHFFFAOYSA-N 1 0 198.216 1.374 50 0 ADAARO Fc1ccc(N2CC[NH2+]CC2)cc1F 2509714 132179025 /nfs/dbraw/zinc/17/90/25/132179025.db2.gz VRVIKRZIQWEYFB-UHFFFAOYSA-N 1 0 198.216 1.374 50 0 in-vitro ADAARO Cc1cccc(C)c1N1CC[NH2+]CC1 2004513 132179258 /nfs/dbraw/zinc/17/92/58/132179258.db2.gz JDVUSTNITSGJOH-UHFFFAOYSA-N 1 0 190.290 1.713 50 0 in-vitro ADAARO CC[C@H]1CN(c2ccccc2)CC[NH2+]1 1556645 132179402 /nfs/dbraw/zinc/17/94/02/132179402.db2.gz IFNUTDUEVHRPCO-NSHDSACASA-N 1 0 190.290 1.875 50 0 ADAARO CC[C@@H]1CN(c2ccccc2)CC[NH2+]1 2035177 132179442 /nfs/dbraw/zinc/17/94/42/132179442.db2.gz IFNUTDUEVHRPCO-LLVKDONJSA-N 1 0 190.290 1.875 50 0 ADAARO Fc1cccc(N2CC[NH2+]CC2)c1 2529848 132179448 /nfs/dbraw/zinc/17/94/48/132179448.db2.gz KIFCSMQTGWVMOD-UHFFFAOYSA-N 1 0 180.226 1.235 50 0 in-vivo ADAARO CCc1ccccc1N1CC[NH2+]CC1 2168450 132179463 /nfs/dbraw/zinc/17/94/63/132179463.db2.gz LMQFWBCKQMNEEH-UHFFFAOYSA-N 1 0 190.290 1.659 50 0 ADAARO Cc1ccc(N2CC[NH2+]CC2)c(C)c1 2004512 132179577 /nfs/dbraw/zinc/17/95/77/132179577.db2.gz RUIMBVCRNZHCRQ-UHFFFAOYSA-N 1 0 190.290 1.713 50 0 ADAARO Nc1c[nH+]ccc1N1CCCCC1 1600277 132179604 /nfs/dbraw/zinc/17/96/04/132179604.db2.gz XSBYYLKFVJMUOQ-UHFFFAOYSA-N 1 0 177.251 1.654 50 0 in-vitro ADAARO Clc1ccc(N2CC[NH2+]CC2)nc1 2527238 132179623 /nfs/dbraw/zinc/17/96/23/132179623.db2.gz ZTLOZFLZBKZABP-UHFFFAOYSA-N 1 0 197.669 1.145 50 0 in-vitro ADAARO Cc1cc(C)cc(N2CC[NH2+]CC2)c1 2384276 132179632 /nfs/dbraw/zinc/17/96/32/132179632.db2.gz RBSSPJDOINFUCR-UHFFFAOYSA-N 1 0 190.290 1.713 50 0 in-vitro ADAARO Nc1ccc(N2CCCCC2)c(N)c1 1477249 132179636 /nfs/dbraw/zinc/17/96/36/132179636.db2.gz UNBADGOPDIOVNX-UHFFFAOYSA-N 1 0 191.278 1.841 50 0 ADAARO Cc1ccc(N2CC[NH2+]C[C@@H]2C)cc1 4558959 132180019 /nfs/dbraw/zinc/18/00/19/132180019.db2.gz DECNYCSJSYBABP-NSHDSACASA-N 1 0 190.290 1.793 50 0 in-vitro ADAARO Clc1cccc(N2CC[NH2+]CC2)n1 3016267 132180066 /nfs/dbraw/zinc/18/00/66/132180066.db2.gz KQFRTJUIRPBBAB-UHFFFAOYSA-N 1 0 197.669 1.145 50 0 in-vitro ADAARO [NH3+]CCCN1CCCc2ccccc21 3099925 132180164 /nfs/dbraw/zinc/18/01/64/132180164.db2.gz BHHICRFDCVVASL-UHFFFAOYSA-N 1 0 190.290 1.788 50 0 in-vitro ADAARO Cc1cc(N)c2c([nH+]1)N(C)CCC2 4834520 132180406 /nfs/dbraw/zinc/18/04/06/132180406.db2.gz RSNWKPGHDZIJSR-UHFFFAOYSA-N 1 0 177.251 1.355 50 0 ADAARO C[C@@H]1C[NH2+]CCN1c1ccccc1 4558862 132180417 /nfs/dbraw/zinc/18/04/17/132180417.db2.gz DCRJYZGRZCZYJZ-SNVBAGLBSA-N 1 0 176.263 1.485 50 0 ADAARO Cc1ccc(N2CC[NH2+]C[C@H]2C)cc1 4558961 132180586 /nfs/dbraw/zinc/18/05/86/132180586.db2.gz DECNYCSJSYBABP-LLVKDONJSA-N 1 0 190.290 1.793 50 0 in-vitro ADAARO Cc1ccc(N2CC[NH2+]CC2)cc1 4707825 132180691 /nfs/dbraw/zinc/18/06/91/132180691.db2.gz ONEYFZXGNFNRJH-UHFFFAOYSA-N 1 0 176.263 1.405 50 0 in-vitro ADAARO C[C@@H]1CCc2ccccc2N1CC[NH3+] 5160361 132180956 /nfs/dbraw/zinc/18/09/56/132180956.db2.gz DQASQARDBLTCEI-SNVBAGLBSA-N 1 0 190.290 1.786 50 0 in-vitro ADAARO C[C@H]1CCc2ccccc2N1CC[NH3+] 5551538 132180985 /nfs/dbraw/zinc/18/09/85/132180985.db2.gz DQASQARDBLTCEI-JTQLQIEISA-N 1 0 190.290 1.786 50 0 in-vitro ADAARO Nc1cc[nH+]c(N2CCCCC2)c1 5649163 132181130 /nfs/dbraw/zinc/18/11/30/132181130.db2.gz XTCJYQFQKXYIMZ-UHFFFAOYSA-N 1 0 177.251 1.654 50 0 in-vitro ADAARO Nc1cc(N2CCCCC2)cc[nH+]1 6995817 132181195 /nfs/dbraw/zinc/18/11/95/132181195.db2.gz IYUJNYOFNTWSFC-UHFFFAOYSA-N 1 0 177.251 1.654 50 0 ADAARO C[C@H]1C[NH2+]C[C@@H](C)N1c1ccccc1 5141608 132181398 /nfs/dbraw/zinc/18/13/98/132181398.db2.gz NHVSHMWHWIPYOL-PHIMTYICSA-N 1 0 190.290 1.873 50 0 ADAARO C[C@@H]1C[NH2+]C[C@@H](C)N1c1ccccc1 5141609 132181602 /nfs/dbraw/zinc/18/16/02/132181602.db2.gz NHVSHMWHWIPYOL-GHMZBOCLSA-N 1 0 190.290 1.873 50 0 ADAARO c1ccc2c(c1)CC[C@@H]1C[NH2+]CCN21 5162683 132181652 /nfs/dbraw/zinc/18/16/52/132181652.db2.gz CHIINPDGHUONJZ-LLVKDONJSA-N 1 0 188.274 1.411 50 0 ADAARO c1ccc2c(c1)CC[C@H]1C[NH2+]CCN21 5162677 132181697 /nfs/dbraw/zinc/18/16/97/132181697.db2.gz CHIINPDGHUONJZ-NSHDSACASA-N 1 0 188.274 1.411 50 0 ADAARO C[NH+]1CCN(c2cccc(F)c2)CC1 13470052 132182358 /nfs/dbraw/zinc/18/23/58/132182358.db2.gz BITRTHRIXOPUIB-UHFFFAOYSA-N 1 0 194.253 1.578 50 0 in-vitro ADAARO C[N+]1=C2CCCN2Cc2ccccc21 12341842 132182422 /nfs/dbraw/zinc/18/24/22/132182422.db2.gz TYUTWGLFUWMHMQ-UHFFFAOYSA-N 1 0 187.266 1.968 50 0 biogenic ADAARO C[NH+]1CCN(c2cccc(N)c2)CC1 12370211 132182440 /nfs/dbraw/zinc/18/24/40/132182440.db2.gz RJGHJWKQCJAJEP-UHFFFAOYSA-N 1 0 191.278 1.021 50 0 in-vitro ADAARO [NH3+]Cc1ccnc(N2CCCCC2)c1 12370420 132182468 /nfs/dbraw/zinc/18/24/68/132182468.db2.gz APBVSDZLGYOBBW-UHFFFAOYSA-N 1 0 191.278 1.531 50 0 in-vitro ADAARO [NH3+]C1CCN(c2ccccn2)CC1 12359866 132182628 /nfs/dbraw/zinc/18/26/28/132182628.db2.gz CZINLSYKXBADTA-UHFFFAOYSA-N 1 0 177.251 1.009 50 0 ADAARO [NH3+]CCN1CCCc2ccccc21 11805162 132182744 /nfs/dbraw/zinc/18/27/44/132182744.db2.gz ALWARSIRJIEZMK-UHFFFAOYSA-N 1 0 176.263 1.398 50 0 in-vitro ADAARO Cc1cccnc1N1CCC([NH3+])CC1 12359709 132182785 /nfs/dbraw/zinc/18/27/85/132182785.db2.gz MEDSFHSPUSUMIL-UHFFFAOYSA-N 1 0 191.278 1.318 50 0 in-vitro ADAARO Fc1cccc(F)c1N1CC[NH2+]CC1 11632573 132182879 /nfs/dbraw/zinc/18/28/79/132182879.db2.gz YWTWDUFMPFRGJQ-UHFFFAOYSA-N 1 0 198.216 1.374 50 0 in-vitro ADAARO [NH3+]C1CCN(c2ccc(F)cc2)CC1 15635498 132183294 /nfs/dbraw/zinc/18/32/94/132183294.db2.gz HLMQCQUHBXFHCK-UHFFFAOYSA-N 1 0 194.253 1.753 50 0 ADAARO Clc1ccnc(N2CC[NH2+]CC2)c1 16697565 132183304 /nfs/dbraw/zinc/18/33/04/132183304.db2.gz VADWBUKUVBYPDJ-UHFFFAOYSA-N 1 0 197.669 1.145 50 0 in-vitro ADAARO Cc1ccc(N2CC[NH2+][C@@H](C)C2)cc1 16944677 132183420 /nfs/dbraw/zinc/18/34/20/132183420.db2.gz NUVOURRQFIQWTK-NSHDSACASA-N 1 0 190.290 1.793 50 0 ADAARO [NH3+]C1CCN(c2cccc(F)c2)CC1 19426361 132183428 /nfs/dbraw/zinc/18/34/28/132183428.db2.gz ZENRTEYGEPODAL-UHFFFAOYSA-N 1 0 194.253 1.753 50 0 in-vitro ADAARO OC1CCN(c2cc[nH+]cc2)CC1 15444667 132183436 /nfs/dbraw/zinc/18/34/36/132183436.db2.gz DMQVSUISDOVWEW-UHFFFAOYSA-N 1 0 178.235 1.043 50 0 in-vitro ADAARO [NH3+]C1CCN(c2ccccc2)CC1 15446037 132183460 /nfs/dbraw/zinc/18/34/60/132183460.db2.gz QFJSOVLHTDPFAB-UHFFFAOYSA-N 1 0 176.263 1.614 50 0 ADAARO C[C@@H]1CN(c2ccccc2)CC[NH2+]1 16944649 132183465 /nfs/dbraw/zinc/18/34/65/132183465.db2.gz SFWZEMBNNRUEHM-SNVBAGLBSA-N 1 0 176.263 1.485 50 0 in-vitro ADAARO [NH3+]C1CCN(c2ccccc2F)CC1 15635496 132183490 /nfs/dbraw/zinc/18/34/90/132183490.db2.gz YKSBVTHTVHRBIY-UHFFFAOYSA-N 1 0 194.253 1.753 50 0 in-vitro ADAARO Cc1ccccc1N1CC[NH2+][C@H](C)C1 16944658 132183620 /nfs/dbraw/zinc/18/36/20/132183620.db2.gz IQBYSMGFEBYDNW-LLVKDONJSA-N 1 0 190.290 1.793 50 0 in-vitro ADAARO Fc1cc(F)cc(N2CC[NH2+]CC2)c1 19045894 132183746 /nfs/dbraw/zinc/18/37/46/132183746.db2.gz TWSOQIHDPMMWAJ-UHFFFAOYSA-N 1 0 198.216 1.374 50 0 ADAARO Cc1ccccc1N1CC[NH2+][C@@H](C)C1 16944663 132183812 /nfs/dbraw/zinc/18/38/12/132183812.db2.gz IQBYSMGFEBYDNW-NSHDSACASA-N 1 0 190.290 1.793 50 0 in-vitro ADAARO Clc1cccnc1N1CC[NH2+]CC1 19015148 132183842 /nfs/dbraw/zinc/18/38/42/132183842.db2.gz HLCPXCHNWZGOMT-UHFFFAOYSA-N 1 0 197.669 1.145 50 0 in-vitro ADAARO [NH3+]Cc1ccc(N2CCCCC2)nc1 16124526 132183856 /nfs/dbraw/zinc/18/38/56/132183856.db2.gz MZUKRLLNZGCLNN-UHFFFAOYSA-N 1 0 191.278 1.531 50 0 ADAARO [NH3+]C1CCN(c2cccnc2)CC1 19423608 132183872 /nfs/dbraw/zinc/18/38/72/132183872.db2.gz WKBBDVPPRJLZJN-UHFFFAOYSA-N 1 0 177.251 1.009 50 0 ADAARO Fc1ccc(F)c(N2CC[NH2+]CC2)c1 19045916 132183880 /nfs/dbraw/zinc/18/38/80/132183880.db2.gz SWQMPOXIMTYXHI-UHFFFAOYSA-N 1 0 198.216 1.374 50 0 in-vitro ADAARO Cc1cccc(N2CCC([NH3+])CC2)c1 15635494 132183916 /nfs/dbraw/zinc/18/39/16/132183916.db2.gz SHBGGHPQJBACEI-UHFFFAOYSA-N 1 0 190.290 1.923 50 0 ADAARO C[C@H]1CN(c2ccccc2)CC[NH2+]1 16944654 132183988 /nfs/dbraw/zinc/18/39/88/132183988.db2.gz SFWZEMBNNRUEHM-JTQLQIEISA-N 1 0 176.263 1.485 50 0 in-vitro ADAARO Cc1ccc(N2CC[NH2+][C@H](C)C2)cc1 16944674 132184088 /nfs/dbraw/zinc/18/40/88/132184088.db2.gz NUVOURRQFIQWTK-LLVKDONJSA-N 1 0 190.290 1.793 50 0 ADAARO [NH3+]Cc1cccc(N2CCCCC2)n1 20230789 132184284 /nfs/dbraw/zinc/18/42/84/132184284.db2.gz AMSLKMQNMJEDRH-UHFFFAOYSA-N 1 0 191.278 1.531 50 0 in-vitro ADAARO O=C1CCN(c2cc[nH+]cc2)CC1 19802413 132184444 /nfs/dbraw/zinc/18/44/44/132184444.db2.gz MAXMUBIIZUKOJF-UHFFFAOYSA-N 1 0 176.219 1.251 50 0 in-vitro ADAARO NC(=[NH2+])N1CCCc2ccccc21 19874130 132184829 /nfs/dbraw/zinc/18/48/29/132184829.db2.gz QQBSBDACYQBCJK-UHFFFAOYSA-N 1 0 175.235 1.333 50 0 in-vitro ADAARO CN1C[C@H](C[NH3+])Cc2ccccc21 20381107 132185623 /nfs/dbraw/zinc/18/56/23/132185623.db2.gz MHEQEASJNAMHCU-VIFPVBQESA-N 1 0 176.263 1.254 50 0 in-vitro ADAARO Cc1ccc(N2CCC([NH3+])CC2)nc1 22175188 132185641 /nfs/dbraw/zinc/18/56/41/132185641.db2.gz QQEOMBKEYFJWMG-UHFFFAOYSA-N 1 0 191.278 1.318 50 0 in-vitro ADAARO CN1C[C@@H](C[NH3+])Cc2ccccc21 20381103 132185688 /nfs/dbraw/zinc/18/56/88/132185688.db2.gz MHEQEASJNAMHCU-SECBINFHSA-N 1 0 176.263 1.254 50 0 in-vitro ADAARO Cc1cc[nH+]c(N2CCCCC2)c1N 20357587 132185719 /nfs/dbraw/zinc/18/57/19/132185719.db2.gz AHJRSZPNTIXPLQ-UHFFFAOYSA-N 1 0 191.278 1.963 50 0 ADAARO [NH3+][C@H]1CCCN(c2ccccc2F)C1 33426945 132186523 /nfs/dbraw/zinc/18/65/23/132186523.db2.gz VMHIFSCPQPEEDU-VIFPVBQESA-N 1 0 194.253 1.753 50 0 in-vitro ADAARO C[C@H]1CN(c2cc[nH+]cc2)C[C@H](C)O1 32627415 132186580 /nfs/dbraw/zinc/18/65/80/132186580.db2.gz OIYPHRUVZOVRSR-UWVGGRQHSA-N 1 0 192.262 1.695 50 0 in-vitro ADAARO C[C@H]1CN(c2cc[nH+]cc2)C[C@@H](C)O1 32627411 132186879 /nfs/dbraw/zinc/18/68/79/132186879.db2.gz OIYPHRUVZOVRSR-AOOOYVTPSA-N 1 0 192.262 1.695 50 0 in-vitro ADAARO [NH3+][C@H]1CCCN(c2ccccc2)C1 33426942 132187030 /nfs/dbraw/zinc/18/70/30/132187030.db2.gz OXQYZZQHIINDCG-JTQLQIEISA-N 1 0 176.263 1.614 50 0 in-vitro ADAARO C[C@@H]1CN(c2cc[nH+]cc2)C[C@@H](C)O1 32627408 132187160 /nfs/dbraw/zinc/18/71/60/132187160.db2.gz OIYPHRUVZOVRSR-NXEZZACHSA-N 1 0 192.262 1.695 50 0 in-vitro ADAARO Clc1cnccc1N1CC[NH2+]CC1 29413191 132187182 /nfs/dbraw/zinc/18/71/82/132187182.db2.gz WZZPTVIAALKWBS-UHFFFAOYSA-N 1 0 197.669 1.145 50 0 ADAARO [NH3+]CC1CCN(c2ccccc2)CC1 35633068 132187930 /nfs/dbraw/zinc/18/79/30/132187930.db2.gz KOBWFEXXYDXJGO-UHFFFAOYSA-N 1 0 190.290 1.862 50 0 in-vitro ADAARO c1[nH+]cc2c3c1CCCN3CCC2 34519071 132188125 /nfs/dbraw/zinc/18/81/25/132188125.db2.gz VARHFUNXFXTFII-UHFFFAOYSA-N 1 0 174.247 1.780 50 0 in-vitro ADAARO CN1CC[C@H](C[NH3+])c2ccccc21 36378482 132188507 /nfs/dbraw/zinc/18/85/07/132188507.db2.gz GXBXUDPXGOCGDI-SECBINFHSA-N 1 0 176.263 1.569 50 0 in-vitro ADAARO Cc1cccnc1N1CC[NH+](C)CC1 38537706 132188547 /nfs/dbraw/zinc/18/85/47/132188547.db2.gz ZXHBYUGQYALQNM-UHFFFAOYSA-N 1 0 191.278 1.142 50 0 in-vitro ADAARO Cc1cccc(N2CCC([NH3+])CC2)n1 37670334 132188551 /nfs/dbraw/zinc/18/85/51/132188551.db2.gz NDXJCHPRFGILTF-UHFFFAOYSA-N 1 0 191.278 1.318 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCN(c2ccccc2)C1 38312384 132188603 /nfs/dbraw/zinc/18/86/03/132188603.db2.gz OXQYZZQHIINDCG-SNVBAGLBSA-N 1 0 176.263 1.614 50 0 in-vitro ADAARO Fc1cccc(N2CC[NH2+]CC2)c1F 35882087 132188656 /nfs/dbraw/zinc/18/86/56/132188656.db2.gz XJPVUJYLKOZVMH-UHFFFAOYSA-N 1 0 198.216 1.374 50 0 in-vitro ADAARO C[NH2+]C1CCN(c2ccccn2)CC1 37509561 132188807 /nfs/dbraw/zinc/18/88/07/132188807.db2.gz QHIXWPOEUOJBOF-UHFFFAOYSA-N 1 0 191.278 1.270 50 0 in-vitro ADAARO C[C@@H]1CN(c2ccccc2F)CC[NH2+]1 35904674 132188845 /nfs/dbraw/zinc/18/88/45/132188845.db2.gz HILRJMLNCMWXSA-SECBINFHSA-N 1 0 194.253 1.624 50 0 in-vitro ADAARO CN1CC[C@@H](C[NH3+])c2ccccc21 36378484 132189005 /nfs/dbraw/zinc/18/90/05/132189005.db2.gz GXBXUDPXGOCGDI-VIFPVBQESA-N 1 0 176.263 1.569 50 0 in-vitro ADAARO Cc1cc(F)ccc1N1CC[NH2+]CC1 37483266 132189027 /nfs/dbraw/zinc/18/90/27/132189027.db2.gz QBLQGSYVHVJZKI-UHFFFAOYSA-N 1 0 194.253 1.544 50 0 in-vitro ADAARO C[NH2+]C1CCN(c2ccccc2)CC1 37241758 132189037 /nfs/dbraw/zinc/18/90/37/132189037.db2.gz OZJZPNVBIUCMIJ-UHFFFAOYSA-N 1 0 190.290 1.875 50 0 in-vitro ADAARO Cc1cccc(N2CC[NH2+][C@H](C)C2)n1 39115469 132189592 /nfs/dbraw/zinc/18/95/92/132189592.db2.gz YCMYTWGABUXSEI-SNVBAGLBSA-N 1 0 191.278 1.188 50 0 in-vitro ADAARO Cc1cccc(N2CCC[C@H]([NH3+])C2)n1 41030323 132190693 /nfs/dbraw/zinc/19/06/93/132190693.db2.gz FPADRUFYMWLEFS-JTQLQIEISA-N 1 0 191.278 1.318 50 0 ADAARO C[C@@H]1C[NH2+]CCN1c1ccccc1F 41206686 132190786 /nfs/dbraw/zinc/19/07/86/132190786.db2.gz CWXILLBXHNOJHB-SECBINFHSA-N 1 0 194.253 1.624 50 0 in-vitro ADAARO Cc1cccc(N2CCC[C@@H]([NH3+])C2)n1 41030324 132190824 /nfs/dbraw/zinc/19/08/24/132190824.db2.gz FPADRUFYMWLEFS-SNVBAGLBSA-N 1 0 191.278 1.318 50 0 ADAARO C[C@H]1C[NH2+]CCN1c1ccccc1F 41206687 132190854 /nfs/dbraw/zinc/19/08/54/132190854.db2.gz CWXILLBXHNOJHB-VIFPVBQESA-N 1 0 194.253 1.624 50 0 in-vitro ADAARO Cc1ccc(N2CCC[C@H]([NH3+])C2)cc1 43470486 132191340 /nfs/dbraw/zinc/19/13/40/132191340.db2.gz FVOMXRHHPMCQHW-NSHDSACASA-N 1 0 190.290 1.923 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCN(c2cccc(F)c2)C1 43470566 132191460 /nfs/dbraw/zinc/19/14/60/132191460.db2.gz CNCLASSKQJMEJQ-SNVBAGLBSA-N 1 0 194.253 1.753 50 0 in-vitro ADAARO [NH3+][C@H]1CCCN(c2cccc(F)c2)C1 43470564 132191536 /nfs/dbraw/zinc/19/15/36/132191536.db2.gz CNCLASSKQJMEJQ-JTQLQIEISA-N 1 0 194.253 1.753 50 0 in-vitro ADAARO Cc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 43470488 132191541 /nfs/dbraw/zinc/19/15/41/132191541.db2.gz FVOMXRHHPMCQHW-LLVKDONJSA-N 1 0 190.290 1.923 50 0 in-vitro ADAARO [NH3+]CC1CCN(c2ccccn2)CC1 44514616 132191547 /nfs/dbraw/zinc/19/15/47/132191547.db2.gz ADULVLOFPKPAHD-UHFFFAOYSA-N 1 0 191.278 1.257 50 0 in-vitro ADAARO Cc1cccc(N2CC[NH2+][C@@H](C)C2)n1 52783518 132192314 /nfs/dbraw/zinc/19/23/14/132192314.db2.gz YCMYTWGABUXSEI-JTQLQIEISA-N 1 0 191.278 1.188 50 0 in-vitro ADAARO C[C@H]1CN(c2ccccc2F)CC[NH2+]1 54348347 132192684 /nfs/dbraw/zinc/19/26/84/132192684.db2.gz HILRJMLNCMWXSA-VIFPVBQESA-N 1 0 194.253 1.624 50 0 in-vitro ADAARO C[C@H]1CN(c2cccc(F)c2)CC[NH2+]1 54348285 132192737 /nfs/dbraw/zinc/19/27/37/132192737.db2.gz PBEBBCLEHYFDPH-VIFPVBQESA-N 1 0 194.253 1.624 50 0 in-vitro ADAARO C[C@@H]1CN(c2cccc(F)c2)CC[NH2+]1 54348282 132192778 /nfs/dbraw/zinc/19/27/78/132192778.db2.gz PBEBBCLEHYFDPH-SECBINFHSA-N 1 0 194.253 1.624 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCN(c2ccccc2F)C1 52887810 132193111 /nfs/dbraw/zinc/19/31/11/132193111.db2.gz VMHIFSCPQPEEDU-SECBINFHSA-N 1 0 194.253 1.753 50 0 in-vitro ADAARO CC[NH+]1CCN(c2ccccc2)CC1 1556646 132193645 /nfs/dbraw/zinc/19/36/45/132193645.db2.gz QUFYPJILXRCKSB-UHFFFAOYSA-N 1 0 190.290 1.829 50 0 in-vitro ADAARO [NH3+]C1(c2ccc(F)c(F)c2)CC1 40457223 133418776 /nfs/dbraw/zinc/41/87/76/133418776.db2.gz JDLOWXCENGEIOR-UHFFFAOYSA-N 1 0 169.174 1.913 50 0 in-vitro ADAARO O[C@H]1CC[NH2+]C12CCCCC2 107158473 133421364 /nfs/dbraw/zinc/42/13/64/133421364.db2.gz CASQMHMCRDDMML-QMMMGPOBSA-N 1 0 155.241 1.044 50 0 in-vitro ADAARO O[C@@H]1CC[NH2+]C12CCCCC2 107158470 133421418 /nfs/dbraw/zinc/42/14/18/133421418.db2.gz CASQMHMCRDDMML-MRVPVSSYSA-N 1 0 155.241 1.044 50 0 in-vitro ADAARO [NH3+]C[C@H]1CSc2ccccc2O1 225144035 133422551 /nfs/dbraw/zinc/42/25/51/133422551.db2.gz BGRLKUXLPVOZME-ZETCQYMHSA-N 1 0 181.260 1.498 50 0 ADAARO C[C@@H]([NH3+])[C@@H]1CCC(F)(F)C1 300750934 133425993 /nfs/dbraw/zinc/42/59/93/133425993.db2.gz RGDLMWCOMQHALL-PHDIDXHHSA-N 1 0 149.184 1.769 50 0 ADAARO C[C@H]([NH3+])[C@@H]1CCC(F)(F)C1 300750932 133426244 /nfs/dbraw/zinc/42/62/44/133426244.db2.gz RGDLMWCOMQHALL-NTSWFWBYSA-N 1 0 149.184 1.769 50 0 ADAARO [NH3+][C@H]1C[C@H](Oc2ccccc2)C1 306497225 133428741 /nfs/dbraw/zinc/42/87/41/133428741.db2.gz RLGGIPLURZLJFB-CZMCAQCFSA-N 1 0 163.220 1.555 50 0 ADAARO [NH3+]C1CC2(C1)CC2(F)F 407985656 133441509 /nfs/dbraw/zinc/44/15/09/133441509.db2.gz FZKCFUQYVJGWJZ-UHFFFAOYSA-N 1 0 133.141 1.133 50 0 ADAARO CO[C@@H]1C[C@@H]([NH3+])c2ccccc21 407985986 133441578 /nfs/dbraw/zinc/44/15/78/133441578.db2.gz WSKSGBLLRQUWCD-NXEZZACHSA-N 1 0 163.220 1.778 50 0 ADAARO C1CC([C@H]2CCC[NH2+]C2)C1 23890639 136407828 /nfs/dbraw/zinc/40/78/28/136407828.db2.gz FXQMKFSOQOSXNT-VIFPVBQESA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO C1CCC[C@@H]2[NH2+]C[C@@H]2CC1 24192144 136407841 /nfs/dbraw/zinc/40/78/41/136407841.db2.gz LWKCFWMJXFWVDW-IUCAKERBSA-N 1 0 139.242 1.929 50 0 in-vitro ADAARO Fc1ccc([C@H]2CCC[NH2+]C2)cn1 38539356 136408320 /nfs/dbraw/zinc/40/83/20/136408320.db2.gz NLURSPNFINZQRK-QMMMGPOBSA-N 1 0 180.226 1.688 50 0 ADAARO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH3+] 786 342923612 /nfs/dbraw/zinc/92/36/12/342923612.db2.gz BUJAGSGYPOAWEI-SECBINFHSA-N 1 0 192.262 1.589 50 0 world ADAARO Cc1ncccc1OC[C@H]1CCC[NH2+]1 18379 342924032 /nfs/dbraw/zinc/92/40/32/342924032.db2.gz YRVIKLBSVVNSHF-SNVBAGLBSA-N 1 0 192.262 1.521 50 0 ADAARO Cc1ccc2[nH]cc(CC[NH3+])c2c1 66085 342925308 /nfs/dbraw/zinc/92/53/08/342925308.db2.gz PYOUAIQXJALPKW-UHFFFAOYSA-N 1 0 174.247 1.978 50 0 biogenic,in-vitro ADAARO C[C@H]([NH3+])c1nc2ccccc2[nH]1 65084 342925330 /nfs/dbraw/zinc/92/53/30/342925330.db2.gz NXSULSSADMIWQD-LURJTMIESA-N 1 0 161.208 1.583 50 0 in-vitro ADAARO C[NH+](C)CCC(=O)c1ccccc1 79582 342925824 /nfs/dbraw/zinc/92/58/24/342925824.db2.gz QMNXJNURJISYMS-UHFFFAOYSA-N 1 0 177.247 1.821 50 0 ADAARO Cc1ccc(C(N)=[NH2+])cc1F 127650 342927212 /nfs/dbraw/zinc/92/72/12/342927212.db2.gz PWQHQNWOXBOOTJ-UHFFFAOYSA-N 1 0 152.172 1.418 50 0 in-vitro ADAARO Cc1cc(C)[n+]2nc(C)sc2n1 124253 342927215 /nfs/dbraw/zinc/92/72/15/342927215.db2.gz ZDVMZOGGNSQLDI-UHFFFAOYSA-N 1 0 180.256 1.202 50 0 ADAARO c1ccc(CC2=[NH+]CCN2)cc1 125006 342927224 /nfs/dbraw/zinc/92/72/24/342927224.db2.gz JIVZKJJQOZQXQB-UHFFFAOYSA-N 1 0 160.220 1.231 50 0 world ADAARO CC(=O)Nc1cccc(C[NH3+])c1 153951 342928544 /nfs/dbraw/zinc/92/85/44/342928544.db2.gz JLFWORHZSACMOG-UHFFFAOYSA-N 1 0 164.208 1.104 50 0 in-vitro ADAARO c1ccc(C2=[NH+]CCN2)cc1 154435 342928559 /nfs/dbraw/zinc/92/85/59/342928559.db2.gz BKCCAYLNRIRKDJ-UHFFFAOYSA-N 1 0 146.193 1.036 50 0 in-vitro ADAARO CN(C)c1ccccc1C[NH3+] 153941 342928561 /nfs/dbraw/zinc/92/85/61/342928561.db2.gz MMSHDAHNUHLXQD-UHFFFAOYSA-N 1 0 150.225 1.211 50 0 in-vitro ADAARO Cc1cc(C[NH3+])c(C)o1 158519 342929732 /nfs/dbraw/zinc/92/97/32/342929732.db2.gz AGQXLVABIKZJJG-UHFFFAOYSA-N 1 0 125.171 1.355 50 0 in-vitro ADAARO Cc1csc(C)[n+]1C 160217 342929735 /nfs/dbraw/zinc/92/97/35/342929735.db2.gz UHOYCVRPRYFLFR-UHFFFAOYSA-N 1 0 128.220 1.189 50 0 in-vitro ADAARO C[NH+](C)CCc1ccc(O)cc1 160784 342930176 /nfs/dbraw/zinc/93/01/76/342930176.db2.gz KUBCEEMXQZUPDQ-UHFFFAOYSA-N 1 0 165.236 1.496 50 0 endogenous,world ADAARO OC1(Cc2ccccc2)CC[NH2+]CC1 160306 342930195 /nfs/dbraw/zinc/93/01/95/342930195.db2.gz KJZBZOFESQSBCV-UHFFFAOYSA-N 1 0 191.274 1.344 50 0 in-vitro ADAARO CC1(C)C[C@@]2(CCC[NH2+]C2)CCO1 198738 342931676 /nfs/dbraw/zinc/93/16/76/342931676.db2.gz MFJRYPCIMRMWLA-LLVKDONJSA-N 1 0 183.295 1.945 50 0 ADAARO CC1(C)C[C@]2(CCC[NH2+]C2)CCO1 198736 342931702 /nfs/dbraw/zinc/93/17/02/342931702.db2.gz MFJRYPCIMRMWLA-NSHDSACASA-N 1 0 183.295 1.945 50 0 ADAARO CCc1c2ccc(C)n2cc[n+]1C 245884 342932006 /nfs/dbraw/zinc/93/20/06/342932006.db2.gz GPYJSVNEPRXAAY-UHFFFAOYSA-N 1 0 175.255 1.635 50 0 ADAARO C[C@]12CC3([NH3+])CC(O)(C1)C[C@@](C)(C3)C2 246606 342932101 /nfs/dbraw/zinc/93/21/01/342932101.db2.gz HSRBAOBUCHCHTQ-ZYANWLCNSA-N 1 0 195.306 1.809 50 0 world ADAARO C[C@H]1C(=O)CC[NH2+][C@@H]1c1ccccc1 270722 342932327 /nfs/dbraw/zinc/93/23/27/342932327.db2.gz WXIFLNDOTSRSQF-CABZTGNLSA-N 1 0 189.258 1.926 50 0 ADAARO C[NH+]1CCC(NCc2ccco2)CC1 268581 342932438 /nfs/dbraw/zinc/93/24/38/342932438.db2.gz ZJRROMOOCRNAPK-UHFFFAOYSA-N 1 0 194.278 1.463 50 0 ADAARO C[n+]1cc(N)cc2ccccc21 285277 342932846 /nfs/dbraw/zinc/93/28/46/342932846.db2.gz YOLGSUHVPKUAOB-UHFFFAOYSA-N 1 0 159.212 1.247 50 0 ADAARO Cc1cc(=[NH2+])c2ccccc2n1C 293937 342932850 /nfs/dbraw/zinc/93/28/50/342932850.db2.gz LUHYAOUKGPHLIP-UHFFFAOYSA-N 1 0 172.231 1.966 50 0 ADAARO CCC[N@H+](CCO)Cc1ccccn1 277688 342932859 /nfs/dbraw/zinc/93/28/59/342932859.db2.gz BGIUPARCNWPFCQ-UHFFFAOYSA-N 1 0 194.278 1.286 50 0 ADAARO CN(C)c1cc(N)c2ccccc2[nH+]1 287078 342932874 /nfs/dbraw/zinc/93/28/74/342932874.db2.gz OXLDRPPQCHUJAO-UHFFFAOYSA-N 1 0 187.246 1.883 50 0 ADAARO CCc1[nH+]c(C)cc(N)c1O 281709 342932877 /nfs/dbraw/zinc/93/28/77/342932877.db2.gz QTRJLTDNJWSPEY-UHFFFAOYSA-N 1 0 152.197 1.240 50 0 ADAARO Cc1ccc2nc(C)cc(C)[n+]2c1 300829 342933298 /nfs/dbraw/zinc/93/32/98/342933298.db2.gz LQJGADAAODXUPN-UHFFFAOYSA-N 1 0 173.239 1.746 50 0 ADAARO Cc1ccc(-n2cc(C[NH3+])cn2)cc1 333412 342934114 /nfs/dbraw/zinc/93/41/14/342934114.db2.gz RCNOGBTYXWGREU-UHFFFAOYSA-N 1 0 187.246 1.639 50 0 ADAARO C[NH+](C)C[C@@H](O)c1ccccc1Cl 339068 342934445 /nfs/dbraw/zinc/93/44/45/342934445.db2.gz ASGSCOJHBJDWEV-SNVBAGLBSA-N 1 0 199.681 1.935 50 0 ADAARO Cc1cc(C)n2c(C)cc[n+]2c1 368427 342935202 /nfs/dbraw/zinc/93/52/02/342935202.db2.gz HADJXIQRCZCOCZ-UHFFFAOYSA-N 1 0 161.228 1.450 50 0 ADAARO CCc1c(C)nc2cccc[n+]2c1C 390832 342936302 /nfs/dbraw/zinc/93/63/02/342936302.db2.gz VKJPPZLXRNREBO-UHFFFAOYSA-N 1 0 187.266 2.000 50 0 ADAARO C[N@H+](CCO)Cc1ccccc1 389763 342936387 /nfs/dbraw/zinc/93/63/87/342936387.db2.gz WOUANPHGFPAJCA-UHFFFAOYSA-N 1 0 165.236 1.111 50 0 ADAARO C[NH+](C)CCOC(=O)c1ccccc1 301115 342933310 /nfs/dbraw/zinc/93/33/10/342933310.db2.gz KJSGODDTWRXQRH-UHFFFAOYSA-N 1 0 193.246 1.405 50 0 in-vitro ADAARO C[n+]1ccccc1Br 333258 342933511 /nfs/dbraw/zinc/93/35/11/342933511.db2.gz ZUHZWFGTRURCNC-UHFFFAOYSA-N 1 0 173.033 1.274 50 0 ADAARO Cc1cc(N)cc(C)[nH+]1 331934 342933545 /nfs/dbraw/zinc/93/35/45/342933545.db2.gz ZJXMKPARTVOUAM-UHFFFAOYSA-N 1 0 122.171 1.281 50 0 in-vitro ADAARO C[C@H]1CC(=O)[C@H]2CCCC[C@@H]2[NH2+]1 517428 342940276 /nfs/dbraw/zinc/94/02/76/342940276.db2.gz SEAPKWHFVCCJBB-CIUDSAMLSA-N 1 0 167.252 1.496 50 0 ADAARO Clc1ccc(C2=[NH+]CCN2)cc1 608390 342941266 /nfs/dbraw/zinc/94/12/66/342941266.db2.gz XUMWMBLBTZAVLW-UHFFFAOYSA-N 1 0 180.638 1.690 50 0 in-vivo ADAARO Cc1cc(N)n(C2CC[NH+](C)CC2)n1 794940 342941277 /nfs/dbraw/zinc/94/12/77/342941277.db2.gz NNBQKNVCHRPVFE-UHFFFAOYSA-N 1 0 194.282 1.040 50 0 in-vitro ADAARO Cc1ccc(C[NH2+]C[C@@H]2CCCO2)o1 793403 342941282 /nfs/dbraw/zinc/94/12/82/342941282.db2.gz GFRLOYQDBHXKHZ-JTQLQIEISA-N 1 0 195.262 1.857 50 0 in-vitro ADAARO c1cncc(C[NH2+]C2CC2)c1 873697 342941630 /nfs/dbraw/zinc/94/16/30/342941630.db2.gz BZFHAPIXJIHOOF-UHFFFAOYSA-N 1 0 148.209 1.334 50 0 in-vitro ADAARO CN(C)c1ccc(C(N)=[NH2+])cc1 1437470 342945243 /nfs/dbraw/zinc/94/52/43/342945243.db2.gz XHJCKJBROOJCHK-UHFFFAOYSA-N 1 0 163.224 1.037 50 0 in-vitro ADAARO C[NH+](C)CCC(=O)C1(O)CCCCC1 1423333 342945281 /nfs/dbraw/zinc/94/52/81/342945281.db2.gz IKTNSNACZWDPHO-UHFFFAOYSA-N 1 0 199.294 1.202 50 0 ADAARO Cc1ccccc1CC(N)=[NH2+] 1442844 342945288 /nfs/dbraw/zinc/94/52/88/342945288.db2.gz VKYKRPZTSDQWQN-UHFFFAOYSA-N 1 0 148.209 1.473 50 0 ADAARO C[NH2+]CCOc1ccccc1 1529109 342946217 /nfs/dbraw/zinc/94/62/17/342946217.db2.gz GUMBNOITRNRLCS-UHFFFAOYSA-N 1 0 151.209 1.285 50 0 in-vitro ADAARO CCCCCC[NH3+] 1531059 342946645 /nfs/dbraw/zinc/94/66/45/342946645.db2.gz BMVXCPBXGZKUPN-UHFFFAOYSA-N 1 0 101.193 1.525 50 0 endogenous,in-man ADAARO CCc1c[nH+]c(C)cc1N 1555251 342946996 /nfs/dbraw/zinc/94/69/96/342946996.db2.gz WIJOOIFTTQXTBL-UHFFFAOYSA-N 1 0 136.198 1.535 50 0 ADAARO C[NH+](C)CCC(=O)c1cccc(O)c1 1561888 342947416 /nfs/dbraw/zinc/94/74/16/342947416.db2.gz QUYLVWCOWYEQPN-UHFFFAOYSA-N 1 0 193.246 1.527 50 0 ADAARO Cc1cc2ccccc2c[n+]1C 1561912 342947474 /nfs/dbraw/zinc/94/74/74/342947474.db2.gz SKITZVIJHXHTQV-UHFFFAOYSA-N 1 0 158.224 1.973 50 0 ADAARO CC1(C)CCC[NH2+]1 1691724 342959306 /nfs/dbraw/zinc/95/93/06/342959306.db2.gz PHODFIDDEBEGCS-UHFFFAOYSA-N 1 0 99.177 1.148 50 0 in-vitro ADAARO c1ccc(CC[n+]2ccncc2)cc1 1668321 342955965 /nfs/dbraw/zinc/95/59/65/342955965.db2.gz AZSNQKMJIZXZLM-UHFFFAOYSA-N 1 0 185.250 1.612 50 0 ADAARO C[NH+](C)CCOc1ccc(C[NH3+])cc1 1670264 342956027 /nfs/dbraw/zinc/95/60/27/342956027.db2.gz OBHPRQNPNGQGCK-UHFFFAOYSA-N 1 0 194.278 1.086 50 0 in-vitro ADAARO Cc1ccc([C@@]23C[NH2+]C[C@@H]2C3)cc1 1844916 342964986 /nfs/dbraw/zinc/96/49/86/342964986.db2.gz OFYVIGTWSQPCLF-NWDGAFQWSA-N 1 0 173.259 1.856 50 0 investigational ADAARO Cc1ccc(C)c(C[NH3+])c1 1848493 342964995 /nfs/dbraw/zinc/96/49/95/342964995.db2.gz LUJNPFWZXIGIPS-UHFFFAOYSA-N 1 0 135.210 1.762 50 0 in-vitro ADAARO Cc1ccc2oc(=O)cc(C[NH3+])c2c1 1997176 342965836 /nfs/dbraw/zinc/96/58/36/342965836.db2.gz DXSZSGDULNFZSI-UHFFFAOYSA-N 1 0 189.214 1.560 50 0 ADAARO Cc1ccc([C@H](O)[C@H](C)[NH3+])cc1 2009383 342966216 /nfs/dbraw/zinc/96/62/16/342966216.db2.gz HYFSOKGGCDALKV-WCBMZHEXSA-N 1 0 165.236 1.376 50 0 in-vitro ADAARO C[C@H]([NH3+])Cc1c[nH]c2ccc(O)cc12 2012156 342966459 /nfs/dbraw/zinc/96/64/59/342966459.db2.gz LYPCGXKCQDYTFV-ZETCQYMHSA-N 1 0 190.246 1.763 50 0 in-vivo ADAARO C[NH+](C)Cc1cccc(O)c1 2013561 342966476 /nfs/dbraw/zinc/96/64/76/342966476.db2.gz HXMWGMZZNGHVPQ-UHFFFAOYSA-N 1 0 151.209 1.454 50 0 ADAARO CCC[NH+]1CCC(=O)CC1 2539359 342975425 /nfs/dbraw/zinc/97/54/25/342975425.db2.gz YGDZKYYCJUNORF-UHFFFAOYSA-N 1 0 141.214 1.061 50 0 in-vitro ADAARO CCCCC(N)=[NH2+] 2547515 342975896 /nfs/dbraw/zinc/97/58/96/342975896.db2.gz LPXCHPSTROLSJX-UHFFFAOYSA-N 1 0 100.165 1.113 50 0 in-vitro ADAARO CCC(C)([NH3+])CC 2563293 342976871 /nfs/dbraw/zinc/97/68/71/342976871.db2.gz VQMPTVQCADWACQ-UHFFFAOYSA-N 1 0 101.193 1.524 50 0 in-vitro ADAARO CC[N+]1=C(C)SCC1 2560371 342976876 /nfs/dbraw/zinc/97/68/76/342976876.db2.gz OBLNPKKGVNWYTK-UHFFFAOYSA-N 1 0 130.236 1.184 50 0 ADAARO Cc1nccn1-c1ccc(CO)cc1 2563833 342976984 /nfs/dbraw/zinc/97/69/84/342976984.db2.gz XOEGKOWEHCVONH-UHFFFAOYSA-N 1 0 188.230 1.673 50 0 ADAARO C[C@H]([NH2+]CCCO)c1ccccc1 2565753 342977189 /nfs/dbraw/zinc/97/71/89/342977189.db2.gz OCUYEHFIDUKNIU-JTQLQIEISA-N 1 0 179.263 1.720 50 0 in-vitro ADAARO CCCCOCCC[NH3+] 2165182 342970462 /nfs/dbraw/zinc/97/04/62/342970462.db2.gz LPUBRQWGZPPVBS-UHFFFAOYSA-N 1 0 131.219 1.152 50 0 in-vitro ADAARO CCC[NH2+]CC1CC1 2170256 342970808 /nfs/dbraw/zinc/97/08/08/342970808.db2.gz MAVLRJDQJZJTQP-UHFFFAOYSA-N 1 0 113.204 1.396 50 0 ADAARO C[N@H+]1[C@H]2CCC[C@@H]1CC2 2504715 342972730 /nfs/dbraw/zinc/97/27/30/342972730.db2.gz XLRPYZSEQKXZAA-OCAPTIKFSA-N 1 0 125.215 1.633 50 0 in-vitro ADAARO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CC[NH2+]1 2525341 342974455 /nfs/dbraw/zinc/97/44/55/342974455.db2.gz HFBOJERZOWTWDR-BDAKNGLRSA-N 1 0 199.294 1.716 50 0 ADAARO Cc1ccc([C@H]([NH3+])CCO)cc1 2535311 342975165 /nfs/dbraw/zinc/97/51/65/342975165.db2.gz DLRHJVGOQVPPGF-SNVBAGLBSA-N 1 0 165.236 1.377 50 0 in-vitro ADAARO CN(C)CC[C@H]([NH3+])c1ccccc1 2538808 342975398 /nfs/dbraw/zinc/97/53/98/342975398.db2.gz HSZKVKCMQAORSG-NSHDSACASA-N 1 0 178.279 1.638 50 0 in-vitro ADAARO C[NH+](C)C[C@H]1Cc2ccccc2O1 3682933 342983684 /nfs/dbraw/zinc/98/36/84/342983684.db2.gz RPCZSPNZKDRMDW-SNVBAGLBSA-N 1 0 177.247 1.552 50 0 ADAARO C[C@H]([NH3+])c1ccco1 3705339 342983686 /nfs/dbraw/zinc/98/36/86/342983686.db2.gz JYXGCMLOKDKUAX-YFKPBYRVSA-N 1 0 111.144 1.299 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc2c(c1)OCCO2 3705365 342983688 /nfs/dbraw/zinc/98/36/88/342983688.db2.gz ABUSRLBOAUOYSM-ZETCQYMHSA-N 1 0 179.219 1.478 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cccs1 3705356 342983695 /nfs/dbraw/zinc/98/36/95/342983695.db2.gz LYJBVRVJQXVVPI-YFKPBYRVSA-N 1 0 127.212 1.768 50 0 in-vitro ADAARO Cc1cc(C)nc(C[C@@H]2CCC[NH2+]2)c1 3732477 342984179 /nfs/dbraw/zinc/98/41/79/342984179.db2.gz GRLQGKAFBWWTIO-NSHDSACASA-N 1 0 190.290 1.993 50 0 ADAARO CC[C@H]([NH3+])C1CC1 3739088 342984472 /nfs/dbraw/zinc/98/44/72/342984472.db2.gz OXXSMQHKMPTBAR-LURJTMIESA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO CC[C@@H]1CCCCC[NH2+]1 3734860 342984495 /nfs/dbraw/zinc/98/44/95/342984495.db2.gz ASNQKEGSBHCDHK-MRVPVSSYSA-N 1 0 127.231 1.929 50 0 in-vitro ADAARO CC[C@H]1CCCCC[NH2+]1 3734859 342984504 /nfs/dbraw/zinc/98/45/04/342984504.db2.gz ASNQKEGSBHCDHK-QMMMGPOBSA-N 1 0 127.231 1.929 50 0 in-vitro ADAARO CC(C)[C@H]1CCCC[NH2+]1 3734431 342984508 /nfs/dbraw/zinc/98/45/08/342984508.db2.gz UGZMDPJPZIDCOA-MRVPVSSYSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO CC1(C)CC(O)CC(C)(C)[NH2+]1 3860933 342985321 /nfs/dbraw/zinc/98/53/21/342985321.db2.gz VDVUCLWJZJHFAV-UHFFFAOYSA-N 1 0 157.257 1.288 50 0 in-vitro ADAARO C[n+]1ccccc1Cl 3861437 342985442 /nfs/dbraw/zinc/98/54/42/342985442.db2.gz ZNPNOVHKCAAQCG-UHFFFAOYSA-N 1 0 128.582 1.165 50 0 in-vitro ADAARO CC[C@@H]1CC[C@@H](C)[NH2+]C1 3875732 342985763 /nfs/dbraw/zinc/98/57/63/342985763.db2.gz XOFNHZHCGBPVGJ-HTQZYQBOSA-N 1 0 127.231 1.785 50 0 ADAARO Cc1csc(C[NH3+])c1 4277327 342990124 /nfs/dbraw/zinc/99/01/24/342990124.db2.gz CKQHNKAVFNDGMK-UHFFFAOYSA-N 1 0 127.212 1.515 50 0 in-vitro ADAARO C[C@H]1CCC[C@@H]([NH2+]C[C@@H](C)O)C1 4290972 342990143 /nfs/dbraw/zinc/99/01/43/342990143.db2.gz NRPGTWMBGPTPRM-IVZWLZJFSA-N 1 0 171.284 1.536 50 0 ADAARO CC[C@H]1CC[C@@H](C)[NH2+]C1 3875733 342985781 /nfs/dbraw/zinc/98/57/81/342985781.db2.gz XOFNHZHCGBPVGJ-SFYZADRCSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO C/C=C(\C)C[N@@H+]1CCC[C@H](C(N)=O)C1 4021742 342986582 /nfs/dbraw/zinc/98/65/82/342986582.db2.gz VMOYOJPOPJQSJM-RZCNENHTSA-N 1 0 196.294 1.150 50 0 ADAARO CC(C)NC1=[NH+]C[C@H](C)S1 4016204 342986610 /nfs/dbraw/zinc/98/66/10/342986610.db2.gz SFCLNPSJDDIDKT-LURJTMIESA-N 1 0 158.270 1.476 50 0 ADAARO Cc1ccc(OCC[NH3+])c(C)c1 4072717 342986936 /nfs/dbraw/zinc/98/69/36/342986936.db2.gz WTMWXJLUFMRFBV-UHFFFAOYSA-N 1 0 165.236 1.641 50 0 in-vitro ADAARO C[N@@H+]1CCC[C@H]1c1ccc[n+]([O-])c1 4285733 342990076 /nfs/dbraw/zinc/99/00/76/342990076.db2.gz YHXKVHQFWVYXIC-JTQLQIEISA-N 1 0 178.235 1.087 50 0 in-vitro ADAARO CC[C@@H]1[NH2+]CCn2cccc21 4384244 342991244 /nfs/dbraw/zinc/99/12/44/342991244.db2.gz KXOHPRHOYYETRK-QMMMGPOBSA-N 1 0 150.225 1.542 50 0 in-vitro ADAARO CC[C@@H]1[C@@H](C)C[NH2+][C@@H]1C 4582433 342993029 /nfs/dbraw/zinc/99/30/29/342993029.db2.gz GTDYINNWQOHUAH-XLPZGREQSA-N 1 0 127.231 1.640 50 0 ADAARO C[NH+](C)CC1CCC1 4589112 342993031 /nfs/dbraw/zinc/99/30/31/342993031.db2.gz SMLWKLRUGJFYFL-UHFFFAOYSA-N 1 0 113.204 1.348 50 0 ADAARO Cc1ccc(C[NH2+]C(C)(C)CO)cc1 4657419 342993517 /nfs/dbraw/zinc/99/35/17/342993517.db2.gz TWIWDQNNJMTKLQ-UHFFFAOYSA-N 1 0 193.290 1.856 50 0 ADAARO Cc1ccc([N+]2=NN(C)CC2)cc1 4823045 342996135 /nfs/dbraw/zinc/99/61/35/342996135.db2.gz BCPIBDMESDFQLD-UHFFFAOYSA-N 1 0 176.243 1.825 50 0 ADAARO CC1=C[C@H](C)[C@H](C[NH2+]CCO)[C@@H](C)C1 4365698 342991012 /nfs/dbraw/zinc/99/10/12/342991012.db2.gz VOAIBLFABWQTSQ-SRVKXCTJSA-N 1 0 197.322 1.807 50 0 ADAARO C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 4342553 342991063 /nfs/dbraw/zinc/99/10/63/342991063.db2.gz RITANGGXLSWSNG-BDAKNGLRSA-N 1 0 167.252 1.450 50 0 ADAARO CC(C)[N@@H+]1C[C@@H](C)C(=O)C[C@@H]1C 4343060 342991089 /nfs/dbraw/zinc/99/10/89/342991089.db2.gz ACIGJEVTDRNMEJ-BDAKNGLRSA-N 1 0 169.268 1.694 50 0 ADAARO CCc1[nH+]c2cc(N)ccc2n1C 4944084 342996879 /nfs/dbraw/zinc/99/68/79/342996879.db2.gz QCMZNESQQDSNIH-UHFFFAOYSA-N 1 0 175.235 1.718 50 0 ADAARO C[N@@H+]1CC[C@H]2Nc3ccccc3[C@@H]2C1 4917919 342996906 /nfs/dbraw/zinc/99/69/06/342996906.db2.gz KDOLICPJGKZRKU-CMPLNLGQSA-N 1 0 188.274 1.900 50 0 ADAARO C[NH+](C)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 4954851 342996916 /nfs/dbraw/zinc/99/69/16/342996916.db2.gz XIKNNMKCXVWVTK-ZYANWLCNSA-N 1 0 195.306 1.632 50 0 ADAARO CC[C@H]([NH3+])c1c(C)nn(C)c1C 4992774 342997979 /nfs/dbraw/zinc/99/79/79/342997979.db2.gz AWGVOPVZUSQWFY-QMMMGPOBSA-N 1 0 167.256 1.447 50 0 in-vitro ADAARO CCCC[C@H]([NH3+])CC 5514796 343004303 /nfs/dbraw/zinc/00/43/03/343004303.db2.gz SRMHHEPXZLWKOK-SSDOTTSWSA-N 1 0 115.220 1.914 50 0 ADAARO C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 5577283 343005186 /nfs/dbraw/zinc/00/51/86/343005186.db2.gz RITANGGXLSWSNG-RKDXNWHRSA-N 1 0 167.252 1.450 50 0 ADAARO CC[C@H](CO)[NH2+]C1CCCC1 5599345 343005544 /nfs/dbraw/zinc/00/55/44/343005544.db2.gz QDNKXEFITLGCNF-MRVPVSSYSA-N 1 0 157.257 1.290 50 0 ADAARO CC[C@H](CO)[NH2+]C1CCCCC1 5599346 343005561 /nfs/dbraw/zinc/00/55/61/343005561.db2.gz DRHQUYUVJFKDBU-SECBINFHSA-N 1 0 171.284 1.680 50 0 ADAARO CC[C@H](CO)[NH2+]Cc1cccs1 5908198 343009478 /nfs/dbraw/zinc/00/94/78/343009478.db2.gz HAQTVYDMTSBENX-MRVPVSSYSA-N 1 0 185.292 1.609 50 0 ADAARO CC[C@@H](CO)[NH2+]Cc1ccccc1 5907677 343009496 /nfs/dbraw/zinc/00/94/96/343009496.db2.gz PGFBTQBTIYCCFJ-NSHDSACASA-N 1 0 179.263 1.547 50 0 in-vitro ADAARO C[C@H](O)C[NH2+]Cc1ccc(F)cc1 5911923 343009498 /nfs/dbraw/zinc/00/94/98/343009498.db2.gz UXQLVZSHGBGNJX-QMMMGPOBSA-N 1 0 183.226 1.296 50 0 ADAARO C[C@H]([NH3+])Cc1cccc2c1OCO2 6021027 343011148 /nfs/dbraw/zinc/01/11/48/343011148.db2.gz XOOVOZRNDZPGLF-ZETCQYMHSA-N 1 0 179.219 1.305 50 0 in-vitro ADAARO C[C@H]([NH3+])Cc1ccccc1 6021033 343011151 /nfs/dbraw/zinc/01/11/51/343011151.db2.gz KWTSXDURSIMDCE-QMMMGPOBSA-N 1 0 135.210 1.576 50 0 fda ADAARO C[C@H]([NH3+])Cc1ccccc1F 6021069 343011158 /nfs/dbraw/zinc/01/11/58/343011158.db2.gz GDSXNLDTQFFIEU-ZETCQYMHSA-N 1 0 153.200 1.715 50 0 in-vitro ADAARO C[C@H]1C[NH2+]C[C@@H](C)S1 6031250 343011574 /nfs/dbraw/zinc/01/15/74/343011574.db2.gz HEFKKYCXFOTNTB-OLQVQODUSA-N 1 0 131.244 1.100 50 0 in-vitro ADAARO C[C@H]1CCC[C@@H]([NH3+])C1 6037568 343011968 /nfs/dbraw/zinc/01/19/68/343011968.db2.gz JYDYHSHPBDZRPU-NKWVEPMBSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO CCCC[C@@H]([NH3+])C(C)=O 6379722 343014095 /nfs/dbraw/zinc/01/40/95/343014095.db2.gz WVUZKKYXJLYJEC-SSDOTTSWSA-N 1 0 129.203 1.093 50 0 ADAARO C[NH+](C)C[C@@H]1CCCCCC1=O 6437128 343014795 /nfs/dbraw/zinc/01/47/95/343014795.db2.gz YPFNKXNACFGYHG-VIFPVBQESA-N 1 0 169.268 1.697 50 0 ADAARO CC(C)Oc1ccc([C@H]([NH3+])CO)cc1 6658342 343015521 /nfs/dbraw/zinc/01/55/21/343015521.db2.gz FXXYSWWSUGJPRF-LLVKDONJSA-N 1 0 195.262 1.466 50 0 in-vitro ADAARO CC[C@H](C)[NH2+]Cc1ccncc1 5823236 343009125 /nfs/dbraw/zinc/00/91/25/343009125.db2.gz CPSUFMPNNGXEMJ-VIFPVBQESA-N 1 0 164.252 1.970 50 0 in-vitro ADAARO CC[C@H](C)[NH2+]Cc1cccnc1 5823235 343009163 /nfs/dbraw/zinc/00/91/63/343009163.db2.gz VPTLWUJKNPIUIP-VIFPVBQESA-N 1 0 164.252 1.970 50 0 in-vitro ADAARO CC(C)Oc1ccc([C@@H]([NH3+])CO)cc1 6658343 343015538 /nfs/dbraw/zinc/01/55/38/343015538.db2.gz FXXYSWWSUGJPRF-NSHDSACASA-N 1 0 195.262 1.466 50 0 in-vitro ADAARO C[C@H]1Cc2cc(C[NH3+])ccc2O1 6678410 343016082 /nfs/dbraw/zinc/01/60/82/343016082.db2.gz HRICJDUBSORGIY-ZETCQYMHSA-N 1 0 163.220 1.469 50 0 in-vitro ADAARO CC[C@H]1CCC[C@H]1[NH3+] 6780124 343016412 /nfs/dbraw/zinc/01/64/12/343016412.db2.gz VFMPCBSRNCHHKO-NKWVEPMBSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO CC[C@H]1CCCC[C@H]1[NH3+] 6780137 343016425 /nfs/dbraw/zinc/01/64/25/343016425.db2.gz QOPVVDFTPKWSFL-JGVFFNPUSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO C[N@@H+]1CC[C@@H](C(=O)c2cccnc2)C1 6734547 343016443 /nfs/dbraw/zinc/01/64/43/343016443.db2.gz ARYQLVJXQFGHLA-SNVBAGLBSA-N 1 0 190.246 1.216 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccccc1N 6732182 343016457 /nfs/dbraw/zinc/01/64/57/343016457.db2.gz QLQQOKKKXYRMRG-LURJTMIESA-N 1 0 136.198 1.289 50 0 in-vitro ADAARO CCCC[NH2+]Cc1ccncc1 6868987 343016758 /nfs/dbraw/zinc/01/67/58/343016758.db2.gz PFDJBAFCDODEGG-UHFFFAOYSA-N 1 0 164.252 1.971 50 0 in-vitro ADAARO CC[C@H](C)[NH2+]Cc1ccccn1 6870776 343016760 /nfs/dbraw/zinc/01/67/60/343016760.db2.gz HVLQDTDDFBCFDC-VIFPVBQESA-N 1 0 164.252 1.970 50 0 in-vitro ADAARO CCCC[NH2+]Cc1cccn1C 7261745 343017316 /nfs/dbraw/zinc/01/73/16/343017316.db2.gz RXKWPINKZUKOKE-UHFFFAOYSA-N 1 0 166.268 1.915 50 0 ADAARO Cc1cc(N)n(-c2cc[nH+]cc2)n1 8409864 343018324 /nfs/dbraw/zinc/01/83/24/343018324.db2.gz YKVBZKPLBUPJCX-UHFFFAOYSA-N 1 0 174.207 1.158 50 0 in-vitro ADAARO CCn1cc(C[NH2+]C(C)(C)C)cn1 9286897 343021773 /nfs/dbraw/zinc/02/17/73/343021773.db2.gz JMYWLOHKVIPFJR-UHFFFAOYSA-N 1 0 181.283 1.791 50 0 ADAARO Cc1nc(C2([NH3+])CCCCC2)no1 9690937 343021791 /nfs/dbraw/zinc/02/17/91/343021791.db2.gz VWQGOQSMLIKZKR-UHFFFAOYSA-N 1 0 181.239 1.496 50 0 in-vitro ADAARO CC(C)[NH2+]Cc1cccnc1 10315431 343022104 /nfs/dbraw/zinc/02/21/04/343022104.db2.gz CRYXHQBSIQUCFG-UHFFFAOYSA-N 1 0 150.225 1.580 50 0 in-vitro ADAARO CC[C@@H](CO)[NH2+]CCc1ccccc1 10474367 343022107 /nfs/dbraw/zinc/02/21/07/343022107.db2.gz HLRRMIWDZXVQEN-LBPRGKRZSA-N 1 0 193.290 1.590 50 0 ADAARO Cc1c(N)cc2[nH+]c[nH]c2c1C 10336111 343022123 /nfs/dbraw/zinc/02/21/23/343022123.db2.gz XVRZYYBUCHIWBF-UHFFFAOYSA-N 1 0 161.208 1.762 50 0 in-vitro ADAARO CCC[NH2+]C1CCCC1 10120827 343022127 /nfs/dbraw/zinc/02/21/27/343022127.db2.gz OPZNSPHUHIXVGR-UHFFFAOYSA-N 1 0 127.231 1.929 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cn2ccsc2n1 11566940 343022643 /nfs/dbraw/zinc/02/26/43/343022643.db2.gz SQJKYMYHTQVRRZ-YFKPBYRVSA-N 1 0 167.237 1.416 50 0 ADAARO Cc1ccc2nc(CC[NH3+])cn2c1 11569902 343022647 /nfs/dbraw/zinc/02/26/47/343022647.db2.gz RJELLHWBXUSVQP-UHFFFAOYSA-N 1 0 175.235 1.144 50 0 ADAARO Cc1csc2nc(C[NH3+])cn12 11566910 343022649 /nfs/dbraw/zinc/02/26/49/343022649.db2.gz HTXJGKRRHXYDKG-UHFFFAOYSA-N 1 0 167.237 1.163 50 0 ADAARO Cc1ccc2c(c1)nc(C[NH3+])n2C 11568673 343022656 /nfs/dbraw/zinc/02/26/56/343022656.db2.gz LLVKERZKNXHJFZ-UHFFFAOYSA-N 1 0 175.235 1.340 50 0 in-vitro ADAARO Cc1cccc2nc(CC[NH3+])cn12 11569903 343022659 /nfs/dbraw/zinc/02/26/59/343022659.db2.gz RXSHUDFEFPHFRT-UHFFFAOYSA-N 1 0 175.235 1.144 50 0 in-vitro ADAARO Cc1cccc(CCC[NH3+])c1 11596867 343023000 /nfs/dbraw/zinc/02/30/00/343023000.db2.gz RPZPBNSHVQMWNY-UHFFFAOYSA-N 1 0 149.237 1.886 50 0 in-vitro ADAARO C[NH2+]CCCNC(=O)OC(C)(C)C 11593858 343023026 /nfs/dbraw/zinc/02/30/26/343023026.db2.gz YIMSPDZAVBIXRT-UHFFFAOYSA-N 1 0 188.271 1.121 50 0 in-vitro ADAARO C[C@H]([NH3+])Cc1cn2ccsc2n1 11628470 343023028 /nfs/dbraw/zinc/02/30/28/343023028.db2.gz CBKBSKDIGTWNBO-LURJTMIESA-N 1 0 181.264 1.286 50 0 in-vitro ADAARO CN(C)c1ccc2c(c1)C[NH2+]CC2 11570844 343023058 /nfs/dbraw/zinc/02/30/58/343023058.db2.gz NLQLZPJPPFHCFC-UHFFFAOYSA-N 1 0 176.263 1.398 50 0 ADAARO CN(C)c1ccc(CCC[NH3+])cc1 11570840 343023078 /nfs/dbraw/zinc/02/30/78/343023078.db2.gz FDADHKBMNOCRMW-UHFFFAOYSA-N 1 0 178.279 1.644 50 0 in-vitro ADAARO Cc1csc([C@@H]2CCC[NH2+]2)n1 11631957 343023522 /nfs/dbraw/zinc/02/35/22/343023522.db2.gz JRYSNDSTDPDJKN-ZETCQYMHSA-N 1 0 168.265 1.876 50 0 ADAARO CC[C@@H]([NH3+])c1nccs1 11631717 343023523 /nfs/dbraw/zinc/02/35/23/343023523.db2.gz YKGZPHYTHVAUGN-RXMQYKEDSA-N 1 0 142.227 1.553 50 0 in-vitro ADAARO CC[C@H]([NH3+])c1nc(C)cs1 11631720 343023556 /nfs/dbraw/zinc/02/35/56/343023556.db2.gz BTVXNMJCZCLBTP-LURJTMIESA-N 1 0 156.254 1.861 50 0 in-vitro ADAARO CC[C@@H]([NH3+])c1nc(C)cs1 11631719 343023562 /nfs/dbraw/zinc/02/35/62/343023562.db2.gz BTVXNMJCZCLBTP-ZCFIWIBFSA-N 1 0 156.254 1.861 50 0 in-vitro ADAARO Cc1csc([C@H]2CCC[NH2+]2)n1 11631958 343023571 /nfs/dbraw/zinc/02/35/71/343023571.db2.gz JRYSNDSTDPDJKN-SSDOTTSWSA-N 1 0 168.265 1.876 50 0 ADAARO C[C@H]([NH3+])c1nc2c(s1)CCC2 11631710 343023583 /nfs/dbraw/zinc/02/35/83/343023583.db2.gz BUWLQLZMUBHORG-YFKPBYRVSA-N 1 0 168.265 1.652 50 0 in-vitro ADAARO C[N@@H+]1Cc2cccc(N)c2C1 11730923 343024071 /nfs/dbraw/zinc/02/40/71/343024071.db2.gz MZQCHOUSVHXNFI-UHFFFAOYSA-N 1 0 148.209 1.214 50 0 ADAARO Cc1cccc(C2([NH3+])CC2)c1 8737725 343020843 /nfs/dbraw/zinc/02/08/43/343020843.db2.gz QAPBZJDWGYFMAS-UHFFFAOYSA-N 1 0 147.221 1.943 50 0 in-vitro ADAARO Cc1noc(C)c1CCC[NH3+] 8733273 343020872 /nfs/dbraw/zinc/02/08/72/343020872.db2.gz UUEBWEMWWZLONV-UHFFFAOYSA-N 1 0 154.213 1.183 50 0 in-vitro ADAARO C[C@@]1(c2ccc(F)cc2)C[NH2+]CCO1 11803661 343025175 /nfs/dbraw/zinc/02/51/75/343025175.db2.gz IHMLZEWIFPIGKG-NSHDSACASA-N 1 0 195.237 1.661 50 0 ADAARO CCc1ccc([C@@H]2C[NH2+]CCO2)cc1 11803013 343025184 /nfs/dbraw/zinc/02/51/84/343025184.db2.gz YZSMQKAOFQFJIO-LBPRGKRZSA-N 1 0 191.274 1.910 50 0 in-vitro ADAARO Cc1nc2c(s1)[C@@H]([NH3+])CCC2 11850391 343025567 /nfs/dbraw/zinc/02/55/67/343025567.db2.gz SDXVLTANPSZQGZ-LURJTMIESA-N 1 0 168.265 1.788 50 0 in-vitro ADAARO Cc1cccc(OC[C@@H](C)[NH3+])c1 11849656 343025768 /nfs/dbraw/zinc/02/57/68/343025768.db2.gz UKWBVFOYWVWPNE-SECBINFHSA-N 1 0 165.236 1.721 50 0 in-vitro ADAARO Cc1csc([C@H](C)C[NH3+])n1 11883514 343026078 /nfs/dbraw/zinc/02/60/78/343026078.db2.gz VFPDFRBRTYGSRB-RXMQYKEDSA-N 1 0 156.254 1.514 50 0 in-vitro ADAARO Cc1[nH]c2ccccc2c1C[NH3+] 11950913 343027408 /nfs/dbraw/zinc/02/74/08/343027408.db2.gz DQAIODDNCNXORY-UHFFFAOYSA-N 1 0 160.220 1.935 50 0 ADAARO C[C@](C[NH3+])(CO)Cc1ccccc1 11978692 343028157 /nfs/dbraw/zinc/02/81/57/343028157.db2.gz DRULCCSBUUFWTF-NSHDSACASA-N 1 0 179.263 1.186 50 0 in-vitro ADAARO CC(C)[C@H](O)C1CC[NH2+]CC1 12382027 343029595 /nfs/dbraw/zinc/02/95/95/343029595.db2.gz OWZCWTGEQMLUNC-VIFPVBQESA-N 1 0 157.257 1.003 50 0 in-vitro ADAARO Cc1nn(C2CCCC2)cc1C[NH3+] 12397705 343030233 /nfs/dbraw/zinc/03/02/33/343030233.db2.gz INFCWWUSGLNBJT-UHFFFAOYSA-N 1 0 179.267 1.765 50 0 ADAARO Cc1cc(C)c([C@@H]([NH3+])CO)cc1C 12404659 343030853 /nfs/dbraw/zinc/03/08/53/343030853.db2.gz GKSHQZSSTGBJAT-NSHDSACASA-N 1 0 179.263 1.604 50 0 in-vitro ADAARO Cc1ccc(-c2c[nH]c(N)[nH+]2)cc1 12404729 343030855 /nfs/dbraw/zinc/03/08/55/343030855.db2.gz WUUWJSLGMMTAGF-UHFFFAOYSA-N 1 0 173.219 1.967 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc2c(c1)NC(=O)CO2 12481311 343031474 /nfs/dbraw/zinc/03/14/74/343031474.db2.gz IDOFUCXHAUJAEQ-LURJTMIESA-N 1 0 192.218 1.037 50 0 in-vitro ADAARO [NH2+]=c1c[n+](-c2ccc(Cl)cc2)[n-]o1 13118916 343033069 /nfs/dbraw/zinc/03/30/69/343033069.db2.gz DFEDMDAFLMQKPV-UHFFFAOYSA-N 1 0 196.617 1.017 50 0 ADAARO Cc1ccc(NC(=O)CCC[NH3+])cc1 11755349 343024623 /nfs/dbraw/zinc/02/46/23/343024623.db2.gz LEIZSQCSGLRVLG-UHFFFAOYSA-N 1 0 192.262 1.672 50 0 ADAARO C[C@H]([NH3+])c1cncs1 11760640 343024625 /nfs/dbraw/zinc/02/46/25/343024625.db2.gz RLPSARLYTKXVSE-BYPYZUCNSA-N 1 0 128.200 1.163 50 0 in-vitro ADAARO Cc1nc(C)c(CC[NH3+])s1 13726812 343037015 /nfs/dbraw/zinc/03/70/15/343037015.db2.gz VPRBZFPSDKDVFD-UHFFFAOYSA-N 1 0 156.254 1.261 50 0 in-vitro ADAARO Cc1ccc2c(c1)cc(CC[NH3+])n2C 14001392 343038284 /nfs/dbraw/zinc/03/82/84/343038284.db2.gz DXHIHMIGRFRLCM-UHFFFAOYSA-N 1 0 188.274 1.988 50 0 ADAARO CCc1ccccc1O[C@H]1CC[NH2+]C1 14632155 343039719 /nfs/dbraw/zinc/03/97/19/343039719.db2.gz LUDROBCWYXPZST-NSHDSACASA-N 1 0 191.274 1.990 50 0 in-vitro ADAARO Cc1ccccc1CO[C@@H]1CC[NH2+]C1 14632034 343039746 /nfs/dbraw/zinc/03/97/46/343039746.db2.gz AHRXFAUMIGODGW-GFCCVEGCSA-N 1 0 191.274 1.874 50 0 ADAARO Cc1ccn2cc(C[NH3+])nc2c1 14807836 343040287 /nfs/dbraw/zinc/04/02/87/343040287.db2.gz OCJZOMBNZMSCBX-UHFFFAOYSA-N 1 0 161.208 1.101 50 0 ADAARO Cc1cccc2nc(C[NH3+])cn12 14807822 343040307 /nfs/dbraw/zinc/04/03/07/343040307.db2.gz FLWNBGDEYAEUQS-UHFFFAOYSA-N 1 0 161.208 1.101 50 0 in-vitro ADAARO Cc1[nH+]ccc(N)c1Cl 14982028 343040658 /nfs/dbraw/zinc/04/06/58/343040658.db2.gz AGWBEYQZGBQXLL-UHFFFAOYSA-N 1 0 142.589 1.626 50 0 in-vitro ADAARO CCc1ccc(OCC[NH2+]C)cc1 15014485 343040965 /nfs/dbraw/zinc/04/09/65/343040965.db2.gz OQCZVYNNBMVDGO-UHFFFAOYSA-N 1 0 179.263 1.847 50 0 in-vitro ADAARO C[NH+]1CCC(CCCO)CC1 15442111 343042096 /nfs/dbraw/zinc/04/20/96/343042096.db2.gz QYRYQOHCDCTGHJ-UHFFFAOYSA-N 1 0 157.257 1.101 50 0 ADAARO CC[C@H]([NH3+])c1ccncc1 15635520 343042100 /nfs/dbraw/zinc/04/21/00/343042100.db2.gz VGFZORUFTNLGLI-QMMMGPOBSA-N 1 0 136.198 1.491 50 0 in-vitro ADAARO CCCC1CC[NH+](CCO)CC1 15442116 343042115 /nfs/dbraw/zinc/04/21/15/343042115.db2.gz HFAHVTLPMIONSU-UHFFFAOYSA-N 1 0 171.284 1.491 50 0 ADAARO CC[C@@H]([NH3+])c1ccncc1 15635518 343042127 /nfs/dbraw/zinc/04/21/27/343042127.db2.gz VGFZORUFTNLGLI-MRVPVSSYSA-N 1 0 136.198 1.491 50 0 in-vitro ADAARO Cc1ccc(C)c(N)[nH+]1 15442195 343042272 /nfs/dbraw/zinc/04/22/72/343042272.db2.gz HWMKUXXLKIOVQZ-UHFFFAOYSA-N 1 0 122.171 1.281 50 0 in-vitro ADAARO Cc1ccsc1CC[NH3+] 15635432 343042279 /nfs/dbraw/zinc/04/22/79/343042279.db2.gz CUXLLWPAXDMLLX-UHFFFAOYSA-N 1 0 141.239 1.558 50 0 in-vitro ADAARO CN(Cc1cccc(F)c1)C(N)=[NH2+] 15635614 343042543 /nfs/dbraw/zinc/04/25/43/343042543.db2.gz CNMSUWHMCZZLPQ-UHFFFAOYSA-N 1 0 181.214 1.151 50 0 in-vitro ADAARO C[C@H]1C[C@H](C)C[NH+](CCCO)C1 15635671 343042732 /nfs/dbraw/zinc/04/27/32/343042732.db2.gz DMDOZRIHHKQUFD-UWVGGRQHSA-N 1 0 171.284 1.347 50 0 in-vitro ADAARO CN(Cc1cccc(Cl)c1)C(N)=[NH2+] 15635619 343042759 /nfs/dbraw/zinc/04/27/59/343042759.db2.gz YDQRKPSJLDHAFO-UHFFFAOYSA-N 1 0 197.669 1.665 50 0 ADAARO Cc1cccc2c1OCC[C@@H]2[NH3+] 16082979 343043272 /nfs/dbraw/zinc/04/32/72/343043272.db2.gz MREWRJVSLAQYFQ-VIFPVBQESA-N 1 0 163.220 1.777 50 0 in-vitro ADAARO C[C@H]1C[NH+]=C(c2ccc(N)cc2)N1 16123876 343043275 /nfs/dbraw/zinc/04/32/75/343043275.db2.gz KLKKLKAARKRYCV-ZETCQYMHSA-N 1 0 175.235 1.007 50 0 ADAARO Cc1cccc2c1OC[C@@H]([NH3+])C2 16083014 343043280 /nfs/dbraw/zinc/04/32/80/343043280.db2.gz ASAMQZTWXWKWDK-VIFPVBQESA-N 1 0 163.220 1.257 50 0 in-vitro ADAARO Cc1ccc2c(c1)C[NH2+]C2 18531830 343048256 /nfs/dbraw/zinc/04/82/56/343048256.db2.gz TZMYQGXSTSSHQV-UHFFFAOYSA-N 1 0 133.194 1.598 50 0 in-vitro ADAARO Cc1[nH+]c2n(c1C)CCC2 18315396 343048406 /nfs/dbraw/zinc/04/84/06/343048406.db2.gz AUTCZSBZWWIGAC-UHFFFAOYSA-N 1 0 136.198 1.446 50 0 ADAARO CC1=CC[C@@H]2C[NH2+]C[C@@H]2C1 18507955 343048435 /nfs/dbraw/zinc/04/84/35/343048435.db2.gz OVBKKDSRBCCWSP-BDAKNGLRSA-N 1 0 137.226 1.562 50 0 ADAARO [NH3+][C@@H]1CCC[C@@H]2C[C@@H]2CC1 18743474 343048928 /nfs/dbraw/zinc/04/89/28/343048928.db2.gz RMEDTMKYQJMXNB-HRDYMLBCSA-N 1 0 139.242 1.914 50 0 ADAARO [NH3+][C@@H]1CCC[C@H]2C[C@@H]2CC1 18743479 343048934 /nfs/dbraw/zinc/04/89/34/343048934.db2.gz RMEDTMKYQJMXNB-XHNCKOQMSA-N 1 0 139.242 1.914 50 0 ADAARO Cc1nc2c(s1)CCC[C@@H]2[NH3+] 19090402 343050147 /nfs/dbraw/zinc/05/01/47/343050147.db2.gz ZJBTYOOUBNTZSE-LURJTMIESA-N 1 0 168.265 1.788 50 0 ADAARO Cc1[nH+]ccc(N)c1C 19090389 343050150 /nfs/dbraw/zinc/05/01/50/343050150.db2.gz YHUUZKCUQVILTK-UHFFFAOYSA-N 1 0 122.171 1.281 50 0 in-vitro ADAARO Cc1nc2c(s1)CCC[C@H]2[NH3+] 19090405 343050296 /nfs/dbraw/zinc/05/02/96/343050296.db2.gz ZJBTYOOUBNTZSE-ZCFIWIBFSA-N 1 0 168.265 1.788 50 0 ADAARO CC[C@@H]([NH3+])c1ncccc1C 19091979 343050639 /nfs/dbraw/zinc/05/06/39/343050639.db2.gz KYBITTXNIHENDH-MRVPVSSYSA-N 1 0 150.225 1.800 50 0 in-vitro ADAARO Cc1cc(F)ccc1NC(=O)[C@@H](C)[NH3+] 19093267 343051034 /nfs/dbraw/zinc/05/10/34/343051034.db2.gz VWIJYTLNVUJJLI-SSDOTTSWSA-N 1 0 196.225 1.420 50 0 ADAARO Cc1nc([C@H](C)[NH3+])c(C)s1 19093475 343051036 /nfs/dbraw/zinc/05/10/36/343051036.db2.gz MDCXDQDXBQAJQW-BYPYZUCNSA-N 1 0 156.254 1.780 50 0 in-vitro ADAARO Cc1cccn2cc(C[NH3+])nc12 19093450 343051049 /nfs/dbraw/zinc/05/10/49/343051049.db2.gz BZCVHNHCTCEWTK-UHFFFAOYSA-N 1 0 161.208 1.101 50 0 in-vitro ADAARO CC(C)[C@@H]1C=CC[NH2+]1 19093131 343051058 /nfs/dbraw/zinc/05/10/58/343051058.db2.gz VPBZZPRTEVQRDI-ZETCQYMHSA-N 1 0 111.188 1.170 50 0 in-vitro ADAARO Cc1cccc2[nH]c(CC[NH3+])nc12 19093444 343051060 /nfs/dbraw/zinc/05/10/60/343051060.db2.gz PTJNQXFUKMHXQI-UHFFFAOYSA-N 1 0 175.235 1.373 50 0 in-vitro ADAARO Cc1cc(F)ccc1NC(=O)C[NH3+] 19093243 343051074 /nfs/dbraw/zinc/05/10/74/343051074.db2.gz UDPZJCBLPCNAGG-UHFFFAOYSA-N 1 0 182.198 1.031 50 0 in-vitro ADAARO Cc1nc([C@@H](C)[NH3+])c(C)s1 19093473 343051078 /nfs/dbraw/zinc/05/10/78/343051078.db2.gz MDCXDQDXBQAJQW-SCSAIBSYSA-N 1 0 156.254 1.780 50 0 in-vitro ADAARO C[NH2+]CCOc1cc(C)ccc1C 19094161 343051517 /nfs/dbraw/zinc/05/15/17/343051517.db2.gz PATJXNMKSSCRKQ-UHFFFAOYSA-N 1 0 179.263 1.902 50 0 in-vitro ADAARO CCc1cccc(OCC[NH2+]C)c1 19094346 343051520 /nfs/dbraw/zinc/05/15/20/343051520.db2.gz AUXIFTJSGZNJLJ-UHFFFAOYSA-N 1 0 179.263 1.847 50 0 in-vitro ADAARO C[C@H](CO)C[NH2+]Cc1ccccc1 19094131 343051557 /nfs/dbraw/zinc/05/15/57/343051557.db2.gz HJARAYMXDYVLBL-JTQLQIEISA-N 1 0 179.263 1.405 50 0 ADAARO CN(C)[C@H](C[NH3+])c1ccc(Cl)cc1 19255451 343051927 /nfs/dbraw/zinc/05/19/27/343051927.db2.gz MIDAWEXSYYTARE-SNVBAGLBSA-N 1 0 198.697 1.901 50 0 in-vitro ADAARO C[C@H](N)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 19257879 343051951 /nfs/dbraw/zinc/05/19/51/343051951.db2.gz JYXDJWHFBOONFW-AEJSXWLSSA-N 1 0 170.300 1.312 50 0 in-vitro ADAARO CN(C)[C@@H](C[NH3+])c1ccc(Cl)cc1 19255449 343051973 /nfs/dbraw/zinc/05/19/73/343051973.db2.gz MIDAWEXSYYTARE-JTQLQIEISA-N 1 0 198.697 1.901 50 0 in-vitro ADAARO C[C@H]1C[C@@H](C)C[N@H+](C[C@@H](C)N)C1 19257877 343051987 /nfs/dbraw/zinc/05/19/87/343051987.db2.gz JYXDJWHFBOONFW-KXUCPTDWSA-N 1 0 170.300 1.312 50 0 in-vitro ADAARO Cc1nccn1-c1ncccc1C[NH3+] 19262116 343052680 /nfs/dbraw/zinc/05/26/80/343052680.db2.gz CVURHMMJIHLHIJ-UHFFFAOYSA-N 1 0 188.234 1.034 50 0 in-vitro ADAARO C[NH2+]CC(=O)Nc1ccccc1C 19401578 343053968 /nfs/dbraw/zinc/05/39/68/343053968.db2.gz PQELZJGWEONDIK-UHFFFAOYSA-N 1 0 178.235 1.153 50 0 in-vitro ADAARO C[C@H](OC[C@@H](O)C[NH3+])c1ccccc1 19387527 343053977 /nfs/dbraw/zinc/05/39/77/343053977.db2.gz SKGOONNUQSISGC-ONGXEEELSA-N 1 0 195.262 1.084 50 0 in-vitro ADAARO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 19408187 343054411 /nfs/dbraw/zinc/05/44/11/343054411.db2.gz NMIFPUMLJRWMFZ-BDAKNGLRSA-N 1 0 184.283 1.029 50 0 in-vitro ADAARO CCCCN(C)C(=O)[C@H]1CCC[NH2+]C1 19413290 343054415 /nfs/dbraw/zinc/05/44/15/343054415.db2.gz MGPYAQHPAHYRLX-JTQLQIEISA-N 1 0 198.310 1.245 50 0 ADAARO CCCCN(C)C(=O)[C@@H]1CCCC[NH2+]1 19408734 343054473 /nfs/dbraw/zinc/05/44/73/343054473.db2.gz GCYGDERTFQMMHL-JTQLQIEISA-N 1 0 198.310 1.387 50 0 ADAARO CCC(CC)(CN)[NH+](C)C 19437570 343055223 /nfs/dbraw/zinc/05/52/23/343055223.db2.gz QZJSRJSPQKNMCJ-UHFFFAOYSA-N 1 0 144.262 1.066 50 0 ADAARO C[C@@H]1CCC[C@H]([NH+]2CCN(C)CC2)C1 19636728 343057699 /nfs/dbraw/zinc/05/76/99/343057699.db2.gz DVJAMUPZNMBWQZ-NEPJUHHUSA-N 1 0 196.338 1.813 50 0 ADAARO CN1CC[NH+](Cc2ccccc2)CC1 19536830 343057708 /nfs/dbraw/zinc/05/77/08/343057708.db2.gz MLJOKPBESJWYGL-UHFFFAOYSA-N 1 0 190.290 1.434 50 0 in-vivo ADAARO CN(C)[C@@H](C[NH3+])c1ccccc1Cl 19581465 343057716 /nfs/dbraw/zinc/05/77/16/343057716.db2.gz JXJCCQYPULQIKT-JTQLQIEISA-N 1 0 198.697 1.901 50 0 in-vitro ADAARO C[C@H]1CC[C@@H]([N@H+](C)CCN(C)C)C1 19642228 343057722 /nfs/dbraw/zinc/05/77/22/343057722.db2.gz DLTSRPPQOXORJH-WDEREUQCSA-N 1 0 184.327 1.668 50 0 ADAARO Cc1ccnc([C@H]2CCCC[NH2+]2)n1 19686172 343058061 /nfs/dbraw/zinc/05/80/61/343058061.db2.gz DQLPLKGLLCNYNY-SECBINFHSA-N 1 0 177.251 1.600 50 0 ADAARO Cc1cc([C@@H](O)CCC[NH3+])ccc1F 19674894 343058145 /nfs/dbraw/zinc/05/81/45/343058145.db2.gz HLJJDHJERDOKOP-NSHDSACASA-N 1 0 197.253 1.906 50 0 ADAARO CN(Cc1ccccc1)CC(C)(C)[NH3+] 19685443 343058153 /nfs/dbraw/zinc/05/81/53/343058153.db2.gz KEVBULSQPZAIAF-UHFFFAOYSA-N 1 0 192.306 1.856 50 0 in-vitro ADAARO Cc1nccc(C2CC[NH2+]CC2)n1 19685954 343058157 /nfs/dbraw/zinc/05/81/57/343058157.db2.gz NENMZMXAVYQZQN-UHFFFAOYSA-N 1 0 177.251 1.252 50 0 ADAARO Cc1ccnc([C@@H]2CCC[NH2+]2)n1 19686182 343058189 /nfs/dbraw/zinc/05/81/89/343058189.db2.gz OPWLBSAEKMFVTP-QMMMGPOBSA-N 1 0 163.224 1.210 50 0 ADAARO C[C@]1(C(=O)NC2CCCC2)CCC[NH2+]1 19686132 343058198 /nfs/dbraw/zinc/05/81/98/343058198.db2.gz WNWXMODVLMMIOV-LLVKDONJSA-N 1 0 196.294 1.187 50 0 ADAARO Cc1nccc([C@@H]2CCCC[NH2+]2)n1 19686150 343058235 /nfs/dbraw/zinc/05/82/35/343058235.db2.gz XHBAYFLRVQYGAX-VIFPVBQESA-N 1 0 177.251 1.600 50 0 ADAARO Cc1cc(C)nc(C2CC[NH2+]CC2)n1 19686320 343058499 /nfs/dbraw/zinc/05/84/99/343058499.db2.gz RFZXGZPXAOEJHX-UHFFFAOYSA-N 1 0 191.278 1.560 50 0 ADAARO Cc1cc(C)nc([C@H]2CCC[NH2+]2)n1 19686328 343058568 /nfs/dbraw/zinc/05/85/68/343058568.db2.gz FQXURXCPCNLDLO-SECBINFHSA-N 1 0 177.251 1.518 50 0 ADAARO Cc1ccc(C[C@@H]2CCC[NH2+]C2)nc1 19686800 343058622 /nfs/dbraw/zinc/05/86/22/343058622.db2.gz PTZXBUGTTUKRLR-NSHDSACASA-N 1 0 190.290 1.932 50 0 ADAARO CC(C)[NH2+]CCN1CCCC[C@@H]1C 19737135 343060025 /nfs/dbraw/zinc/06/00/25/343060025.db2.gz OBBQYZWMTSSZBI-NSHDSACASA-N 1 0 184.327 1.859 50 0 ADAARO C[NH2+]CC[C@@H](O)c1cccs1 19795640 343060456 /nfs/dbraw/zinc/06/04/56/343060456.db2.gz YEJVVFOJMOHFRL-SSDOTTSWSA-N 1 0 171.265 1.391 50 0 in-vitro ADAARO C[C@H](C[NH3+])N1CCc2ccccc2C1 19794318 343060467 /nfs/dbraw/zinc/06/04/67/343060467.db2.gz UJWSUHSIWKEFHM-SNVBAGLBSA-N 1 0 190.290 1.392 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)C1 19440816 343055652 /nfs/dbraw/zinc/05/56/52/343055652.db2.gz UBZFFQTZCMDNDG-NXEZZACHSA-N 1 0 198.310 1.228 50 0 ADAARO CC(C)Oc1ccc(C(N)=[NH2+])cc1 19481829 343056046 /nfs/dbraw/zinc/05/60/46/343056046.db2.gz MVYWQGWUWWEZQZ-UHFFFAOYSA-N 1 0 178.235 1.758 50 0 in-vitro ADAARO CCCNC(=O)C1([NH3+])CCCCC1 19484212 343056058 /nfs/dbraw/zinc/05/60/58/343056058.db2.gz QTPSTJFEZGTHLF-UHFFFAOYSA-N 1 0 184.283 1.174 50 0 in-vitro ADAARO Cc1cccc(NC(=O)[C@@H](C)[NH3+])c1 19482204 343056060 /nfs/dbraw/zinc/05/60/60/343056060.db2.gz GRZFTZFNDXZGMG-MRVPVSSYSA-N 1 0 178.235 1.281 50 0 ADAARO CC(C)[C@H]([NH3+])C(=O)N1CCCCCC1 19476035 343056062 /nfs/dbraw/zinc/05/60/62/343056062.db2.gz HBAGBQFDEPESAM-JTQLQIEISA-N 1 0 198.310 1.372 50 0 ADAARO CC(C)NC(=O)C1([NH3+])CCCCC1 19478643 343056069 /nfs/dbraw/zinc/05/60/69/343056069.db2.gz GDDFIVBRLWMPKI-UHFFFAOYSA-N 1 0 184.283 1.173 50 0 in-vitro ADAARO Cc1ccc(NC(=O)[C@@H](C)[NH3+])cc1 19505617 343056692 /nfs/dbraw/zinc/05/66/92/343056692.db2.gz NUCATNXWTKMKFU-MRVPVSSYSA-N 1 0 178.235 1.281 50 0 ADAARO CC(C)[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C 19518016 343057199 /nfs/dbraw/zinc/05/71/99/343057199.db2.gz DDTXBHAYTWILLZ-NXEZZACHSA-N 1 0 198.310 1.371 50 0 ADAARO CC(C)[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C 19518014 343057242 /nfs/dbraw/zinc/05/72/42/343057242.db2.gz DDTXBHAYTWILLZ-VHSXEESVSA-N 1 0 198.310 1.371 50 0 ADAARO CCCCN(C)C[C@H]1CCCC[NH2+]1 19512211 343057261 /nfs/dbraw/zinc/05/72/61/343057261.db2.gz NBZDCZFHUHVLNK-LLVKDONJSA-N 1 0 184.327 1.860 50 0 ADAARO CN(CC[NH+](C)C)Cc1cccs1 19606622 343057644 /nfs/dbraw/zinc/05/76/44/343057644.db2.gz SYVFTXLJBDSUGQ-UHFFFAOYSA-N 1 0 198.335 1.742 50 0 ADAARO CN1CC[NH+](C2CCCCCC2)CC1 19636624 343057662 /nfs/dbraw/zinc/05/76/62/343057662.db2.gz GXEWAQQSKFJHTL-UHFFFAOYSA-N 1 0 196.338 1.957 50 0 ADAARO CN(CC[NH+](C)C)Cc1ccsc1 19607103 343057666 /nfs/dbraw/zinc/05/76/66/343057666.db2.gz HPPXYFMJZJMLIM-UHFFFAOYSA-N 1 0 198.335 1.742 50 0 ADAARO C[C@H]1CCC[C@@H]([NH+]2CCN(C)CC2)C1 19636724 343057678 /nfs/dbraw/zinc/05/76/78/343057678.db2.gz DVJAMUPZNMBWQZ-NWDGAFQWSA-N 1 0 196.338 1.813 50 0 ADAARO C[NH+]1CCN(Cc2ccsc2)CC1 19537670 343057687 /nfs/dbraw/zinc/05/76/87/343057687.db2.gz AFEHPXWGZUHAEW-UHFFFAOYSA-N 1 0 196.319 1.496 50 0 ADAARO CC(C)[NH+](C[C@H](C)N)C(C)C 19957536 343064939 /nfs/dbraw/zinc/06/49/39/343064939.db2.gz BSDBAEGTTJDAJZ-VIFPVBQESA-N 1 0 158.289 1.452 50 0 ADAARO CC(C)[NH+](C[C@@H](C)N)C(C)C 19957531 343064942 /nfs/dbraw/zinc/06/49/42/343064942.db2.gz BSDBAEGTTJDAJZ-SECBINFHSA-N 1 0 158.289 1.452 50 0 ADAARO C[NH+](C)CCCNc1ccc(N)cn1 19961636 343065297 /nfs/dbraw/zinc/06/52/97/343065297.db2.gz MDHORAYJCVKPNI-UHFFFAOYSA-N 1 0 194.282 1.027 50 0 ADAARO CCCCCO[C@H]1CCC[NH2+]C1 19965447 343065304 /nfs/dbraw/zinc/06/53/04/343065304.db2.gz ZEHQOQACLUPPLB-JTQLQIEISA-N 1 0 171.284 1.945 50 0 ADAARO CN(C[C@H]1CCC[NH2+]1)c1ccccc1 20071673 343066650 /nfs/dbraw/zinc/06/66/50/343066650.db2.gz LKKBLTKKWIBCKH-LLVKDONJSA-N 1 0 190.290 1.875 50 0 ADAARO CCCCN(C)C[C@H]1CCC[NH2+]1 20072693 343066671 /nfs/dbraw/zinc/06/66/71/343066671.db2.gz GUSBTRIFRKGHEA-SNVBAGLBSA-N 1 0 170.300 1.470 50 0 ADAARO Cc1ccc(C[NH+](C)C)cc1N 20074032 343066680 /nfs/dbraw/zinc/06/66/80/343066680.db2.gz LUMHJHNXEBFVTB-UHFFFAOYSA-N 1 0 164.252 1.639 50 0 in-vitro ADAARO Cc1cc(C[NH+](C)C)ccc1N 20074051 343066844 /nfs/dbraw/zinc/06/68/44/343066844.db2.gz OQUKPEYUVQSUIM-UHFFFAOYSA-N 1 0 164.252 1.639 50 0 ADAARO CC(C)[N@@H+]1CCCC[C@H]1CN 19843366 343062182 /nfs/dbraw/zinc/06/21/82/343062182.db2.gz DWJDCMNVRMEEBL-VIFPVBQESA-N 1 0 156.273 1.208 50 0 in-vitro ADAARO CC(C)[N@@H+]1CCCC[C@@H]1CN 19843365 343062190 /nfs/dbraw/zinc/06/21/90/343062190.db2.gz DWJDCMNVRMEEBL-SECBINFHSA-N 1 0 156.273 1.208 50 0 in-vitro ADAARO C[C@H]1CN(Cc2ccccc2)CC[NH2+]1 19851377 343062639 /nfs/dbraw/zinc/06/26/39/343062639.db2.gz QOFUDSPYJDXBOF-NSHDSACASA-N 1 0 190.290 1.480 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H](O)c1ccccc1F 20216965 343069509 /nfs/dbraw/zinc/06/95/09/343069509.db2.gz VJXSWZWBWCAQRD-IMTBSYHQSA-N 1 0 169.199 1.206 50 0 in-vitro ADAARO C[NH+](C)Cc1cccc(CO)c1 20216494 343069512 /nfs/dbraw/zinc/06/95/12/343069512.db2.gz VUUSSTMNTMTMID-UHFFFAOYSA-N 1 0 165.236 1.241 50 0 in-vitro ADAARO C[NH+](C)Cc1ccc(CO)cc1 20216491 343069618 /nfs/dbraw/zinc/06/96/18/343069618.db2.gz FZEXGKWMKMGXBI-UHFFFAOYSA-N 1 0 165.236 1.241 50 0 ADAARO C[NH+](C)C[C@@H]1CCc2ccccc2N1 20246901 343069958 /nfs/dbraw/zinc/06/99/58/343069958.db2.gz JNRVQHYXILJMRE-NSHDSACASA-N 1 0 190.290 1.975 50 0 in-vitro ADAARO Cc1cccc(N(C)CC[NH3+])c1 20239295 343069959 /nfs/dbraw/zinc/06/99/59/343069959.db2.gz XGQOZNBOJLZTLU-UHFFFAOYSA-N 1 0 164.252 1.390 50 0 ADAARO CC(C)[NH2+]Cc1cccn1C 20358904 343072041 /nfs/dbraw/zinc/07/20/41/343072041.db2.gz JKVSQMWIMFRPCJ-UHFFFAOYSA-N 1 0 152.241 1.523 50 0 ADAARO Cc1cc(C)nc(CC[NH3+])c1 20353142 343072042 /nfs/dbraw/zinc/07/20/42/343072042.db2.gz WVANZOLZAPMJTO-UHFFFAOYSA-N 1 0 150.225 1.200 50 0 ADAARO CC(C)[C@H]1CC[NH2+]1 20443085 343073566 /nfs/dbraw/zinc/07/35/66/343073566.db2.gz MDVHHYGTBKHJAU-ZCFIWIBFSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO Cc1noc(C)c1C[C@@H](C)[NH3+] 20442639 343073587 /nfs/dbraw/zinc/07/35/87/343073587.db2.gz UDUQYWBETJDXSM-RXMQYKEDSA-N 1 0 154.213 1.181 50 0 in-vitro ADAARO Cc1ccsc1[C@H](O)C[NH3+] 21950447 343075950 /nfs/dbraw/zinc/07/59/50/343075950.db2.gz MPRXGIUKEXDKGH-ZCFIWIBFSA-N 1 0 157.238 1.049 50 0 ADAARO CC1CCC([NH2+]CCN(C)C)CC1 21954302 343076287 /nfs/dbraw/zinc/07/62/87/343076287.db2.gz XWMYGYVKXQZREI-UHFFFAOYSA-N 1 0 184.327 1.716 50 0 ADAARO CCC(CC)[NH+]1CCNCC1 22029062 343077605 /nfs/dbraw/zinc/07/76/05/343077605.db2.gz IVPIAQOAOCEOKM-UHFFFAOYSA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccccc1 22063342 343077935 /nfs/dbraw/zinc/07/79/35/343077935.db2.gz SFEGZLNDKUGHQJ-JQWIXIFHSA-N 1 0 190.290 1.608 50 0 in-vitro ADAARO C[NH+](C)CCNC(=O)OC(C)(C)C 22058011 343078449 /nfs/dbraw/zinc/07/84/49/343078449.db2.gz HWHUFUKKMFBZGJ-UHFFFAOYSA-N 1 0 188.271 1.073 50 0 in-vitro ADAARO C[C@H]1[C@H]([NH3+])CCN1Cc1ccccc1 22063348 343078454 /nfs/dbraw/zinc/07/84/54/343078454.db2.gz SFEGZLNDKUGHQJ-CMPLNLGQSA-N 1 0 190.290 1.608 50 0 in-vitro ADAARO C[N@@H+]1CC[C@@H](c2cccnc2)C1 22061534 343078458 /nfs/dbraw/zinc/07/84/58/343078458.db2.gz UEIZUEWXLJOVLD-SNVBAGLBSA-N 1 0 162.236 1.501 50 0 in-vitro ADAARO Cc1ccc([C@H]2CCC[NH2+]2)cn1 22063529 343078465 /nfs/dbraw/zinc/07/84/65/343078465.db2.gz WZVVISVPTUREQN-SNVBAGLBSA-N 1 0 162.236 1.815 50 0 in-vitro ADAARO CCCCC(=[NH2+])OC 22064186 343078480 /nfs/dbraw/zinc/07/84/80/343078480.db2.gz DIFSGQKADHEBAI-UHFFFAOYSA-N 1 0 115.176 1.800 50 0 in-vitro ADAARO Cc1cccn2c(N)c[nH+]c12 22048575 343078484 /nfs/dbraw/zinc/07/84/84/343078484.db2.gz GGGMCFYRIGTEMG-UHFFFAOYSA-N 1 0 147.181 1.225 50 0 in-vitro ADAARO Cc1cncc([C@H]2CCC[NH2+]2)c1 22063522 343078508 /nfs/dbraw/zinc/07/85/08/343078508.db2.gz ROFRZRRVJWMLMU-SNVBAGLBSA-N 1 0 162.236 1.815 50 0 in-vitro ADAARO C[C@H]([NH2+]CCN(C)C)c1ccncc1 22147157 343079777 /nfs/dbraw/zinc/07/97/77/343079777.db2.gz NJKLDKVSRPAXMJ-JTQLQIEISA-N 1 0 193.294 1.294 50 0 ADAARO CC(C)[C@H](C)NC(=O)C1CC[NH2+]CC1 20523527 343074420 /nfs/dbraw/zinc/07/44/20/343074420.db2.gz LDWLSRVVBRQTNE-VIFPVBQESA-N 1 0 198.310 1.147 50 0 in-vitro ADAARO CCOCCCNc1cc[nH+]cc1 21058251 343075206 /nfs/dbraw/zinc/07/52/06/343075206.db2.gz QVRPVXPHTDNERN-UHFFFAOYSA-N 1 0 180.251 1.920 50 0 in-vitro ADAARO CC[C@@](CO)(c1ccccc1)[NH+](C)C 21299214 343075247 /nfs/dbraw/zinc/07/52/47/343075247.db2.gz JDCWNZJOVSBOLK-GFCCVEGCSA-N 1 0 193.290 1.846 50 0 in-vitro ADAARO Cc1ccc([C@H](O)C[NH3+])s1 21949061 343075552 /nfs/dbraw/zinc/07/55/52/343075552.db2.gz NEIZNZWUPNQLKJ-ZCFIWIBFSA-N 1 0 157.238 1.049 50 0 ADAARO CC(C)Cc1noc(CCC[NH3+])n1 21948992 343075663 /nfs/dbraw/zinc/07/56/63/343075663.db2.gz JRHSZBJZEQRMGJ-UHFFFAOYSA-N 1 0 183.255 1.159 50 0 ADAARO CC1CCN([C@H]2CC[NH2+]C2)CC1 22467291 343081916 /nfs/dbraw/zinc/08/19/16/343081916.db2.gz BTXTZWGPGKDZBB-JTQLQIEISA-N 1 0 168.284 1.080 50 0 ADAARO CC1CCN([C@@H]2CC[NH2+]C2)CC1 22467287 343081955 /nfs/dbraw/zinc/08/19/55/343081955.db2.gz BTXTZWGPGKDZBB-SNVBAGLBSA-N 1 0 168.284 1.080 50 0 ADAARO Cc1ccc(C[NH2+]C2CC2)o1 22563468 343081967 /nfs/dbraw/zinc/08/19/67/343081967.db2.gz URQGMRGIKXSJGG-UHFFFAOYSA-N 1 0 151.209 1.840 50 0 ADAARO Cc1cnc(C[NH2+]C(C)C)s1 22862145 343082308 /nfs/dbraw/zinc/08/23/08/343082308.db2.gz HWZMNOFBBWOBBL-UHFFFAOYSA-N 1 0 170.281 1.950 50 0 ADAARO Cc1cnc(C[NH2+]C2CC2)s1 22862197 343082376 /nfs/dbraw/zinc/08/23/76/343082376.db2.gz PEQUHDRLRSWBEE-UHFFFAOYSA-N 1 0 168.265 1.704 50 0 ADAARO Cc1ccc([C@@H](C[NH3+])N(C)C)o1 23094235 343083387 /nfs/dbraw/zinc/08/33/87/343083387.db2.gz KELHQGOVULCJSG-MRVPVSSYSA-N 1 0 168.240 1.149 50 0 in-vitro ADAARO C[C@H]([NH3+])COc1ccccc1F 23069814 343083404 /nfs/dbraw/zinc/08/34/04/343083404.db2.gz KJLQFTPKHZGQIN-ZETCQYMHSA-N 1 0 169.199 1.552 50 0 in-vitro ADAARO Cc1ccsc1[C@@H](C[NH3+])N(C)C 23094156 343083432 /nfs/dbraw/zinc/08/34/32/343083432.db2.gz XSHCJTMLKPDFJK-MRVPVSSYSA-N 1 0 184.308 1.618 50 0 in-vitro ADAARO Cc1ccc([C@@H]2C[C@@H]2[NH3+])cc1 32005588 343095190 /nfs/dbraw/zinc/09/51/90/343095190.db2.gz JVDFHGQPUOICBZ-UWVGGRQHSA-N 1 0 147.221 1.810 50 0 ADAARO Cc1ccc([C@H]2C[C@@H]2[NH3+])cc1 32005591 343095231 /nfs/dbraw/zinc/09/52/31/343095231.db2.gz JVDFHGQPUOICBZ-ZJUUUORDSA-N 1 0 147.221 1.810 50 0 ADAARO CC[C@H]([NH3+])c1nnc2n1CCCCC2 26471693 343088716 /nfs/dbraw/zinc/08/87/16/343088716.db2.gz VYBXHVUUKWBHOU-QMMMGPOBSA-N 1 0 194.282 1.414 50 0 in-vitro ADAARO CC[C@@H]([NH3+])c1nnc2n1CCCCC2 26471687 343088772 /nfs/dbraw/zinc/08/87/72/343088772.db2.gz VYBXHVUUKWBHOU-MRVPVSSYSA-N 1 0 194.282 1.414 50 0 in-vitro ADAARO CCC1CCC([NH2+]CCO)CC1 26515805 343089585 /nfs/dbraw/zinc/08/95/85/343089585.db2.gz ZGBAAXUFCMHOGH-UHFFFAOYSA-N 1 0 171.284 1.537 50 0 in-vitro ADAARO CC(C)n1cc([C@H](C)[NH3+])cn1 26545951 343090066 /nfs/dbraw/zinc/09/00/66/343090066.db2.gz LNFYVTUMCGJYBN-ZETCQYMHSA-N 1 0 153.229 1.484 50 0 in-vitro ADAARO Cc1noc(C)c1[C@H](C)[NH3+] 26547940 343090468 /nfs/dbraw/zinc/09/04/68/343090468.db2.gz FZJLBPYJNDDVPQ-BYPYZUCNSA-N 1 0 140.186 1.311 50 0 in-vitro ADAARO C[C@H]1C[NH2+]CCc2ccccc21 28131782 343091892 /nfs/dbraw/zinc/09/18/92/343091892.db2.gz ZRPYKXHZFPGPRZ-VIFPVBQESA-N 1 0 161.248 1.936 50 0 in-vitro ADAARO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH3+] 29212975 343092324 /nfs/dbraw/zinc/09/23/24/343092324.db2.gz HFQMYSHATTXRTC-SNVBAGLBSA-N 1 0 192.306 1.951 50 0 in-man ADAARO C[N@@H+]1Cc2ccccc2C[C@H]1CO 32189049 343100230 /nfs/dbraw/zinc/10/02/30/343100230.db2.gz SWUVPLABKHJMQA-NSHDSACASA-N 1 0 177.247 1.035 50 0 ADAARO [NH3+]C12CCC(CC1)CC2 32217110 343101337 /nfs/dbraw/zinc/10/13/37/343101337.db2.gz VCLQDVVELGHZMQ-UHFFFAOYSA-N 1 0 125.215 1.668 50 0 in-vitro ADAARO Cc1ccc([C@@H]2C[NH2+]CCN2)cc1 32499141 343102335 /nfs/dbraw/zinc/10/23/35/343102335.db2.gz FCNXNUWTNOYQME-NSHDSACASA-N 1 0 176.263 1.229 50 0 ADAARO CC(C)[C@@H]([NH3+])[C@@H](O)c1ccccc1 32007298 343096096 /nfs/dbraw/zinc/09/60/96/343096096.db2.gz COXYPOLXZLWCIA-MNOVXSKESA-N 1 0 179.263 1.703 50 0 in-vitro ADAARO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1C(C)C 32136232 343098111 /nfs/dbraw/zinc/09/81/11/343098111.db2.gz GEZXXWSGDCCGQM-JTQLQIEISA-N 1 0 199.294 1.811 50 0 ADAARO CC1CC[NH+](CC(=O)NC(C)C)CC1 32652199 343103154 /nfs/dbraw/zinc/10/31/54/343103154.db2.gz DFCDBYIFXLEHHB-UHFFFAOYSA-N 1 0 198.310 1.243 50 0 ADAARO Cc1ccc(C)c(CNCC[NH3+])c1 32919756 343103912 /nfs/dbraw/zinc/10/39/12/343103912.db2.gz WDIGBKPGLDADBU-UHFFFAOYSA-N 1 0 178.279 1.352 50 0 ADAARO CCCC(=O)N(C)C1CC[NH+](C)CC1 33019474 343104261 /nfs/dbraw/zinc/10/42/61/343104261.db2.gz AHSFPVBXBLLBTC-UHFFFAOYSA-N 1 0 198.310 1.339 50 0 ADAARO CC[C@@H]([NH3+])c1cc(C)ccn1 33414640 343104588 /nfs/dbraw/zinc/10/45/88/343104588.db2.gz GHYFDTDPEAFYDP-MRVPVSSYSA-N 1 0 150.225 1.800 50 0 in-vitro ADAARO CC[C@@H](CO)[NH+](CC)CC 34185096 343112738 /nfs/dbraw/zinc/11/27/38/343112738.db2.gz HZDMXYFSFGUCNO-QMMMGPOBSA-N 1 0 145.246 1.099 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccsc1 34257191 343114894 /nfs/dbraw/zinc/11/48/94/343114894.db2.gz KXCGQPCMPZULFH-YFKPBYRVSA-N 1 0 127.212 1.768 50 0 in-vitro ADAARO CC(C)[C@@H](O)[C@@H]([NH3+])c1ccccc1 34259802 343114897 /nfs/dbraw/zinc/11/48/97/343114897.db2.gz FQSSCVHRYZXWIR-WDEREUQCSA-N 1 0 179.263 1.703 50 0 ADAARO CC(C)[C@@H](O)[C@H]([NH3+])c1ccccc1 34259799 343114913 /nfs/dbraw/zinc/11/49/13/343114913.db2.gz FQSSCVHRYZXWIR-GHMZBOCLSA-N 1 0 179.263 1.703 50 0 ADAARO CC(C)[C@H](O)[C@@H]([NH3+])c1ccccc1 34259800 343114938 /nfs/dbraw/zinc/11/49/38/343114938.db2.gz FQSSCVHRYZXWIR-QWRGUYRKSA-N 1 0 179.263 1.703 50 0 ADAARO CC1(c2cccc(C[NH3+])c2)OCCO1 34414702 343118916 /nfs/dbraw/zinc/11/89/16/343118916.db2.gz PAFHHQQXBXCRQR-UHFFFAOYSA-N 1 0 193.246 1.365 50 0 in-vitro ADAARO CC[C@H]([NH3+])C1CCCC1 34448129 343119417 /nfs/dbraw/zinc/11/94/17/343119417.db2.gz UJPWZPCHMUQQNN-QMMMGPOBSA-N 1 0 127.231 1.914 50 0 ADAARO C[NH+](C)[C@H]1CCCCO1 34612568 343123378 /nfs/dbraw/zinc/12/33/78/343123378.db2.gz JMVPFKZRJBWAEK-SSDOTTSWSA-N 1 0 129.203 1.075 50 0 ADAARO CCCNC(=O)[C@@H]([NH3+])c1ccccc1 34679269 343124422 /nfs/dbraw/zinc/12/44/22/343124422.db2.gz YXBMGPJKBYDLAK-JTQLQIEISA-N 1 0 192.262 1.213 50 0 ADAARO CC1(C)CCC[C@H]([NH3+])C1 34742333 343124443 /nfs/dbraw/zinc/12/44/43/343124443.db2.gz DUMSDLPWUAVLJQ-ZETCQYMHSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO CC1(C)CCC[C@@H]([NH3+])C1 34742334 343124478 /nfs/dbraw/zinc/12/44/78/343124478.db2.gz DUMSDLPWUAVLJQ-SSDOTTSWSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO C[NH2+]CC/C=C/c1cncnc1 34752288 343124775 /nfs/dbraw/zinc/12/47/75/343124775.db2.gz XBTZRFSIPNDBPJ-DUXPYHPUSA-N 1 0 163.224 1.099 50 0 ADAARO Cc1ccc(C)c2c1OC[C@H]2[NH3+] 35653473 343135533 /nfs/dbraw/zinc/13/55/33/343135533.db2.gz XINZTDZMZANOCF-MRVPVSSYSA-N 1 0 163.220 1.696 50 0 ADAARO Cc1ccc2c(c1C)OC[C@H]2[NH3+] 35653713 343136003 /nfs/dbraw/zinc/13/60/03/343136003.db2.gz XVYGOLFJDGWZFD-SECBINFHSA-N 1 0 163.220 1.696 50 0 in-vitro ADAARO CC[C@@H]1CCC[N@H+](CCO)C1 36170310 343141106 /nfs/dbraw/zinc/14/11/06/343141106.db2.gz FFDUYCRRUNOMCB-SECBINFHSA-N 1 0 157.257 1.101 50 0 ADAARO Cc1ccn2c(N)c[nH+]c2c1 36221960 343141705 /nfs/dbraw/zinc/14/17/05/343141705.db2.gz ZUFUTRZMHBXGJJ-UHFFFAOYSA-N 1 0 147.181 1.225 50 0 ADAARO Cc1nc2cc(CC[NH3+])ccc2[nH]1 36197688 343141711 /nfs/dbraw/zinc/14/17/11/343141711.db2.gz AHEACQPUGPABGN-UHFFFAOYSA-N 1 0 175.235 1.373 50 0 ADAARO Cc1cc(N)cn2cc[nH+]c12 36226195 343141751 /nfs/dbraw/zinc/14/17/51/343141751.db2.gz LGZGDXLLUJSZFJ-UHFFFAOYSA-N 1 0 147.181 1.225 50 0 in-vitro ADAARO Cc1c[nH+]c(NC(C)C)c(N)c1 36226352 343142315 /nfs/dbraw/zinc/14/23/15/343142315.db2.gz IZKCUPYMFVIDEN-UHFFFAOYSA-N 1 0 165.240 1.793 50 0 ADAARO CC[C@H]1COC(C)(C)C[NH2+]1 36230604 343142351 /nfs/dbraw/zinc/14/23/51/343142351.db2.gz IPCWHJLDUXDZAO-ZETCQYMHSA-N 1 0 143.230 1.163 50 0 ADAARO Cc1[nH+]c(N2CCCC2)ccc1N 36250982 343142858 /nfs/dbraw/zinc/14/28/58/343142858.db2.gz AEEHRUNJAZPPDG-UHFFFAOYSA-N 1 0 177.251 1.572 50 0 in-vitro ADAARO Cc1c(N)ccc2[nH+]ccn12 36244815 343142872 /nfs/dbraw/zinc/14/28/72/343142872.db2.gz JTGICNYXZXTBJK-UHFFFAOYSA-N 1 0 147.181 1.225 50 0 ADAARO Cc1cn2cc(C[NH3+])nc2s1 36254598 343142895 /nfs/dbraw/zinc/14/28/95/343142895.db2.gz KSLLZRAYBKILAG-UHFFFAOYSA-N 1 0 167.237 1.163 50 0 in-vitro ADAARO CCn1c[n+](CC)c2ccccc21 36470516 343146332 /nfs/dbraw/zinc/14/63/32/343146332.db2.gz WKDUSFAYYAZRTO-UHFFFAOYSA-N 1 0 175.255 1.969 50 0 ADAARO CCC[N@@H+]1Cc2cccc(N)c2C1 36683605 343148057 /nfs/dbraw/zinc/14/80/57/343148057.db2.gz JBIZIGZHQMDVHR-UHFFFAOYSA-N 1 0 176.263 1.994 50 0 in-vitro ADAARO CN(C)C(=O)Nc1cccc(C[NH3+])c1 36720879 343148066 /nfs/dbraw/zinc/14/80/66/343148066.db2.gz FKCBZEJVZWPAFN-UHFFFAOYSA-N 1 0 193.250 1.239 50 0 in-vitro ADAARO Cc1nc(C2CC[NH2+]CC2)[nH]c1C 36874201 343152242 /nfs/dbraw/zinc/15/22/42/343152242.db2.gz BJOVMSOLSTUAIW-UHFFFAOYSA-N 1 0 179.267 1.494 50 0 ADAARO CC(C)[C@H]([NH3+])c1ncc[nH]1 36912377 343154375 /nfs/dbraw/zinc/15/43/75/343154375.db2.gz WBNFIORQLJOELA-LURJTMIESA-N 1 0 139.202 1.066 50 0 ADAARO CC(C)[C@@H]([NH3+])c1ncc[nH]1 36912378 343154377 /nfs/dbraw/zinc/15/43/77/343154377.db2.gz WBNFIORQLJOELA-ZCFIWIBFSA-N 1 0 139.202 1.066 50 0 ADAARO CCC(CC)[NH2+][C@H](C)c1nncn1C 37017300 343157344 /nfs/dbraw/zinc/15/73/44/343157344.db2.gz UAUGLAAPQAKQHF-MRVPVSSYSA-N 1 0 196.298 1.654 50 0 ADAARO Cc1cccc(N2CC[C@@H]([NH3+])C2)c1 37242102 343163816 /nfs/dbraw/zinc/16/38/16/343163816.db2.gz IGASEQRQTPTQOI-SNVBAGLBSA-N 1 0 176.263 1.532 50 0 ADAARO Cc1ccc(CN2CC[C@@H]([NH3+])C2)cc1 37241593 343163820 /nfs/dbraw/zinc/16/38/20/343163820.db2.gz INUIZQJUGAJHBH-GFCCVEGCSA-N 1 0 190.290 1.528 50 0 in-vitro ADAARO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH3+] 37022040 343157353 /nfs/dbraw/zinc/15/73/53/343157353.db2.gz JWADZLHEJOORRH-BDAKNGLRSA-N 1 0 184.283 1.125 50 0 ADAARO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH3+] 37022041 343157371 /nfs/dbraw/zinc/15/73/71/343157371.db2.gz JWADZLHEJOORRH-DTWKUNHWSA-N 1 0 184.283 1.125 50 0 ADAARO CC[C@@H]1CCCCN1C(=O)CC[NH3+] 37083152 343159128 /nfs/dbraw/zinc/15/91/28/343159128.db2.gz CMJAVHCSDZRAAZ-SECBINFHSA-N 1 0 184.283 1.126 50 0 in-vitro ADAARO CCC[N@H+](CC)C[C@@H](C)N 37094896 343159132 /nfs/dbraw/zinc/15/91/32/343159132.db2.gz CUAMIZAOSYSZIU-MRVPVSSYSA-N 1 0 144.262 1.066 50 0 in-vitro ADAARO CCCCOc1ncccc1C[NH3+] 37093133 343159176 /nfs/dbraw/zinc/15/91/76/343159176.db2.gz QZQRWGJWYNZAQV-UHFFFAOYSA-N 1 0 180.251 1.719 50 0 in-vitro ADAARO CCC(CC)[N@@H+]1CC[C@@H](N)C1 37241695 343163874 /nfs/dbraw/zinc/16/38/74/343163874.db2.gz RZQCGPVZOABCIU-MRVPVSSYSA-N 1 0 156.273 1.208 50 0 ADAARO CCCCN(C)[C@@H]1CCC[NH2+]C1 37246715 343164436 /nfs/dbraw/zinc/16/44/36/343164436.db2.gz LBYDKTAPBCJSTO-SNVBAGLBSA-N 1 0 170.300 1.470 50 0 ADAARO C[C@H]1CCC[C@@H](C[NH3+])C1 37245867 343164459 /nfs/dbraw/zinc/16/44/59/343164459.db2.gz AVBFYDXLBKBKNT-JGVFFNPUSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO CC1CCC(C)([NH3+])CC1 37376502 343166799 /nfs/dbraw/zinc/16/67/99/343166799.db2.gz OZPKMRTYWAJVAR-UHFFFAOYSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])c1ccncc1 37466420 343169497 /nfs/dbraw/zinc/16/94/97/343169497.db2.gz CVIUCMADIABJJL-SECBINFHSA-N 1 0 150.225 1.737 50 0 in-vitro ADAARO Cc1ccc(N2CC[C@H]([NH3+])C2)cc1 37242140 343163828 /nfs/dbraw/zinc/16/38/28/343163828.db2.gz IIBFNTQWVBGVKU-JTQLQIEISA-N 1 0 176.263 1.532 50 0 in-vitro ADAARO Cc1ccc(CN2CC[C@H]([NH3+])C2)cc1 37241590 343163844 /nfs/dbraw/zinc/16/38/44/343163844.db2.gz INUIZQJUGAJHBH-LBPRGKRZSA-N 1 0 190.290 1.528 50 0 in-vitro ADAARO CCc1ncc(C[NH2+]C)s1 38000530 343182925 /nfs/dbraw/zinc/18/29/25/343182925.db2.gz CSZFIJNBBMUGDN-UHFFFAOYSA-N 1 0 156.254 1.425 50 0 in-vitro ADAARO C[C@H]1CC(C)(C)C[C@@]([NH3+])(CO)C1 38124611 343185279 /nfs/dbraw/zinc/18/52/79/343185279.db2.gz PYPLUNYMZUDMPI-WCBMZHEXSA-N 1 0 171.284 1.522 50 0 in-vitro ADAARO Cc1c[nH+]c2c(c1)CCCN2 38478021 343188701 /nfs/dbraw/zinc/18/87/01/343188701.db2.gz VZADIUQKUVWTSR-UHFFFAOYSA-N 1 0 148.209 1.748 50 0 ADAARO CC1(C)C=[NH+]CCC1 38233788 343186018 /nfs/dbraw/zinc/18/60/18/343186018.db2.gz VIMYVOBHTUYEND-UHFFFAOYSA-N 1 0 111.188 1.877 50 0 in-vitro ADAARO CC1=CC[C@H]([NH3+])CC1 38301370 343186933 /nfs/dbraw/zinc/18/69/33/343186933.db2.gz GJIKAJOLWXMKEG-ZETCQYMHSA-N 1 0 111.188 1.444 50 0 ADAARO CC[C@@H]([NH3+])CN(C)Cc1ccccc1 38801459 343190658 /nfs/dbraw/zinc/19/06/58/343190658.db2.gz ULRQBWNNCPAUFZ-GFCCVEGCSA-N 1 0 192.306 1.856 50 0 ADAARO Cc1csc([C@@H]2CC[NH2+]C2)n1 38877151 343191520 /nfs/dbraw/zinc/19/15/20/343191520.db2.gz ACPQVAZLVXNZMH-SSDOTTSWSA-N 1 0 168.265 1.528 50 0 ADAARO Cc1csc([C@H]2CC[NH2+]C2)n1 38877153 343191532 /nfs/dbraw/zinc/19/15/32/343191532.db2.gz ACPQVAZLVXNZMH-ZETCQYMHSA-N 1 0 168.265 1.528 50 0 ADAARO CC1CCN(C[C@@H]2CCCC[NH2+]2)CC1 38971058 343192696 /nfs/dbraw/zinc/19/26/96/343192696.db2.gz VEHLLUFXJVRZFT-LBPRGKRZSA-N 1 0 196.338 1.860 50 0 ADAARO C[C@H]1CCCN(C[C@@H]2CCCC[NH2+]2)C1 38971028 343192700 /nfs/dbraw/zinc/19/27/00/343192700.db2.gz YFVFCHMUBAYVAT-RYUDHWBXSA-N 1 0 196.338 1.860 50 0 in-vitro ADAARO CC[C@H]([NH3+])CN(C)Cc1ccccc1 38801456 343190551 /nfs/dbraw/zinc/19/05/51/343190551.db2.gz ULRQBWNNCPAUFZ-LBPRGKRZSA-N 1 0 192.306 1.856 50 0 ADAARO Cc1ccc([C@@H]2C[NH2+]CCN2)cc1C 39115427 343201283 /nfs/dbraw/zinc/20/12/83/343201283.db2.gz DEVCAUSAFYFVHN-LBPRGKRZSA-N 1 0 190.290 1.537 50 0 ADAARO Cc1[nH]c2ccc(NN)cc2[nH+]1 39194636 343205724 /nfs/dbraw/zinc/20/57/24/343205724.db2.gz OXFAGQWGMRPYOA-UHFFFAOYSA-N 1 0 162.196 1.157 50 0 ADAARO C[C@H]1c2ccccc2C[C@@H]1[NH3+] 39208853 343206097 /nfs/dbraw/zinc/20/60/97/343206097.db2.gz DOMIRQRGULWJML-XVKPBYJWSA-N 1 0 147.221 1.674 50 0 in-vitro ADAARO C[C@H]1Cc2ccccc2[C@H]1[NH3+] 39208863 343206151 /nfs/dbraw/zinc/20/61/51/343206151.db2.gz PTOLXLSYGKBIJB-XVKPBYJWSA-N 1 0 147.221 1.879 50 0 in-vitro ADAARO C[NH+](C)Cc1c[nH]c2cnccc12 39223134 343206814 /nfs/dbraw/zinc/20/68/14/343206814.db2.gz DDPMLJKOKMCYEG-UHFFFAOYSA-N 1 0 175.235 1.625 50 0 in-vitro ADAARO C[NH2+]C(C)(C)c1ccc2c(c1)OCO2 39947639 343214430 /nfs/dbraw/zinc/21/44/30/343214430.db2.gz ZQOLNFHGRAXKBK-UHFFFAOYSA-N 1 0 193.246 1.870 50 0 in-vitro ADAARO CCCC[C@]([NH3+])(CC)C(=O)OCC 39952006 343214432 /nfs/dbraw/zinc/21/44/32/343214432.db2.gz PUFPKUWTAGCFPT-SNVBAGLBSA-N 1 0 187.283 1.847 50 0 in-vitro ADAARO Cc1ccc(O[C@H]2CCC[NH2+]C2)nc1 40434906 343217864 /nfs/dbraw/zinc/21/78/64/343217864.db2.gz DOTHTPFLPLKAQF-JTQLQIEISA-N 1 0 192.262 1.521 50 0 ADAARO C[C@H]1CCC[N@H+](CC(C)(C)N)C1 39958225 343214715 /nfs/dbraw/zinc/21/47/15/343214715.db2.gz UNXLSDHBHSJGNF-VIFPVBQESA-N 1 0 170.300 1.456 50 0 ADAARO CC(C)[NH2+]CC1CCOCC1 40887142 343223632 /nfs/dbraw/zinc/22/36/32/343223632.db2.gz PJIHKHXGXQEBFZ-UHFFFAOYSA-N 1 0 157.257 1.411 50 0 ADAARO CN(C(=O)C(C)(C)[NH3+])C1CCCCC1 40920207 343224396 /nfs/dbraw/zinc/22/43/96/343224396.db2.gz ZZGZNNIWZQROLQ-UHFFFAOYSA-N 1 0 198.310 1.515 50 0 ADAARO Cc1csc([C@@H]([NH3+])C2CC2)n1 41059417 343229674 /nfs/dbraw/zinc/22/96/74/343229674.db2.gz PGQDIESBAMNFIY-ZETCQYMHSA-N 1 0 168.265 1.861 50 0 in-vitro ADAARO Cc1csc(C2([NH3+])CCOCC2)n1 41059784 343229693 /nfs/dbraw/zinc/22/96/93/343229693.db2.gz VFKQEUXAKPHFRE-UHFFFAOYSA-N 1 0 198.291 1.416 50 0 in-vitro ADAARO C[NH+](C)CC[C@@H](O)c1ccc(F)cc1 41144807 343230589 /nfs/dbraw/zinc/23/05/89/343230589.db2.gz HXKHYYJUHCVYMI-LLVKDONJSA-N 1 0 197.253 1.811 50 0 ADAARO CC1(C)C[N@H+](C(C)(C)C)CCN1 41168378 343231083 /nfs/dbraw/zinc/23/10/83/343231083.db2.gz ROYGZKCBJURQPR-UHFFFAOYSA-N 1 0 170.300 1.469 50 0 in-vitro ADAARO C[C@H](O)[C@H]([NH3+])c1ccccc1F 41168219 343231088 /nfs/dbraw/zinc/23/10/88/343231088.db2.gz DWXYPVJJOLRWQJ-RCOVLWMOSA-N 1 0 169.199 1.206 50 0 ADAARO C[NH2+]CC(=O)c1ccc(OC)cc1 41200735 343231487 /nfs/dbraw/zinc/23/14/87/343231487.db2.gz FLKXXDJABJNVBV-UHFFFAOYSA-N 1 0 179.219 1.097 50 0 ADAARO CC[C@H]([NH3+])c1ccc(C)cn1 42383862 343240950 /nfs/dbraw/zinc/24/09/50/343240950.db2.gz ZJGCRAJCKXIEKQ-QMMMGPOBSA-N 1 0 150.225 1.800 50 0 ADAARO CC[C@H]([NH3+])c1cccc(C)n1 42383798 343241178 /nfs/dbraw/zinc/24/11/78/343241178.db2.gz CDTQUDZMUDLYQM-QMMMGPOBSA-N 1 0 150.225 1.800 50 0 in-vitro ADAARO Cc1ccc([C@H](C)[NH3+])nc1 42383735 343241189 /nfs/dbraw/zinc/24/11/89/343241189.db2.gz XXAOROMGOIPMQJ-ZETCQYMHSA-N 1 0 136.198 1.410 50 0 in-vitro ADAARO Cc1cccc([C@@H]([NH3+])C2CC2)n1 42383759 343241193 /nfs/dbraw/zinc/24/11/93/343241193.db2.gz OBQROMDPOMEPJD-JTQLQIEISA-N 1 0 162.236 1.800 50 0 ADAARO Cc1cccc([C@H]([NH3+])C2CC2)n1 42383756 343241195 /nfs/dbraw/zinc/24/11/95/343241195.db2.gz OBQROMDPOMEPJD-SNVBAGLBSA-N 1 0 162.236 1.800 50 0 ADAARO Cc1cccc([C@@H](C)[NH3+])n1 42383833 343241215 /nfs/dbraw/zinc/24/12/15/343241215.db2.gz WYWLBJSLKUQLHT-SSDOTTSWSA-N 1 0 136.198 1.410 50 0 in-vitro ADAARO Cc1ccsc1[C@@H]([NH3+])CO 41675075 343235676 /nfs/dbraw/zinc/23/56/76/343235676.db2.gz SKSYCEDURIYPGT-LURJTMIESA-N 1 0 157.238 1.049 50 0 in-vitro ADAARO CCC(=O)OCC[C@@H]1CCCC[NH2+]1 42768966 343249095 /nfs/dbraw/zinc/24/90/95/343249095.db2.gz VJOIFRPSIOMVOK-VIFPVBQESA-N 1 0 185.267 1.472 50 0 ADAARO Cc1ccc(Cl)c(OC2C[NH2+]C2)c1 42769869 343249098 /nfs/dbraw/zinc/24/90/98/343249098.db2.gz PYTJGYSTUIDPJV-UHFFFAOYSA-N 1 0 197.665 1.999 50 0 ADAARO CC(C)OCC[C@H]1CCC[NH2+]C1 42774282 343249469 /nfs/dbraw/zinc/24/94/69/343249469.db2.gz IHMGCDNCGIFJID-SNVBAGLBSA-N 1 0 171.284 1.801 50 0 ADAARO C[C@H]1Oc2c(F)cccc2[C@H]1[NH3+] 43633344 343257512 /nfs/dbraw/zinc/25/75/12/343257512.db2.gz MFQGCMOGPFGQFI-XRGYYRRGSA-N 1 0 167.183 1.606 50 0 in-vitro ADAARO CC[C@@H](C[NH3+])Oc1cccc(F)c1 43541608 343255036 /nfs/dbraw/zinc/25/50/36/343255036.db2.gz GIAZEWHIGQCIQO-VIFPVBQESA-N 1 0 183.226 1.942 50 0 ADAARO CCOC(=O)[C@@H]1CC[C@H](C)[C@H]([NH2+]C)C1 44124161 343261047 /nfs/dbraw/zinc/26/10/47/343261047.db2.gz NBOQWVLNNYXZDZ-IVZWLZJFSA-N 1 0 199.294 1.574 50 0 ADAARO [NH3+]CCCc1cncc(F)c1 44283326 343263220 /nfs/dbraw/zinc/26/32/20/343263220.db2.gz CQDAYVXVRPGUTM-UHFFFAOYSA-N 1 0 154.188 1.112 50 0 ADAARO CC[C@H]([NH3+])CC1CC1 44403335 343265017 /nfs/dbraw/zinc/26/50/17/343265017.db2.gz JCXKPIBKDPHVEY-ZETCQYMHSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO Cc1cnccc1C[C@@H](C)[NH3+] 44460923 343265771 /nfs/dbraw/zinc/26/57/71/343265771.db2.gz LWSKKOKDDSWJIS-MRVPVSSYSA-N 1 0 150.225 1.280 50 0 ADAARO Cc1ccc(C[C@H]([NH3+])CO)cc1C 44463981 343265774 /nfs/dbraw/zinc/26/57/74/343265774.db2.gz GLCVFQNQEOQYNT-NSHDSACASA-N 1 0 179.263 1.166 50 0 ADAARO Cc1cnccc1C[C@H](C)[NH3+] 44460924 343265790 /nfs/dbraw/zinc/26/57/90/343265790.db2.gz LWSKKOKDDSWJIS-QMMMGPOBSA-N 1 0 150.225 1.280 50 0 ADAARO CN(C)c1ccc(CC[NH3+])cc1F 44372502 343264327 /nfs/dbraw/zinc/26/43/27/343264327.db2.gz NHHXNSNCLRMODO-UHFFFAOYSA-N 1 0 182.242 1.393 50 0 ADAARO Cc1cc([C@@H](C)[NH3+])no1 45929663 343272696 /nfs/dbraw/zinc/27/26/96/343272696.db2.gz LEFVDZCQGFWHQB-RXMQYKEDSA-N 1 0 126.159 1.003 50 0 in-vitro ADAARO Cc1cc(F)ccc1[C@H]1C[NH2+]CCN1 44713514 343268927 /nfs/dbraw/zinc/26/89/27/343268927.db2.gz DYANWVNTGDQHGY-LLVKDONJSA-N 1 0 194.253 1.368 50 0 in-vitro ADAARO C[NH+](C)[C@H]1CCCCCOC1 45069311 343270995 /nfs/dbraw/zinc/27/09/95/343270995.db2.gz XQSKCUASTCJZLV-VIFPVBQESA-N 1 0 157.257 1.507 50 0 ADAARO Cc1nc(-c2cccc(C[NH3+])c2)n[nH]1 48630617 343274966 /nfs/dbraw/zinc/27/49/66/343274966.db2.gz XBTWOIUOLAIXNE-UHFFFAOYSA-N 1 0 188.234 1.239 50 0 in-vitro ADAARO C[C@H]([NH3+])Cn1ccc2ccccc21 49584757 343276174 /nfs/dbraw/zinc/27/61/74/343276174.db2.gz OZPPCCIRSILHOZ-VIFPVBQESA-N 1 0 174.247 1.989 50 0 in-vitro ADAARO CCCC1(CO)CC[NH2+]CC1 49584935 343276181 /nfs/dbraw/zinc/27/61/81/343276181.db2.gz PZIVEJUFTRGEJQ-UHFFFAOYSA-N 1 0 157.257 1.149 50 0 in-vitro ADAARO C[NH2+]CCCOC(C)C 49800906 343276585 /nfs/dbraw/zinc/27/65/85/343276585.db2.gz LFKFQHDZGFHGKP-UHFFFAOYSA-N 1 0 131.219 1.021 50 0 ADAARO Cc1cc([C@H]2C[NH2+]CCO2)ccc1F 49811479 343277323 /nfs/dbraw/zinc/27/73/23/343277323.db2.gz QJEDQKWSLOOTKZ-LLVKDONJSA-N 1 0 195.237 1.795 50 0 in-vitro ADAARO C[C@](O)(C[NH3+])c1cccc(Cl)c1 50093772 343277650 /nfs/dbraw/zinc/27/76/50/343277650.db2.gz KIFVYNJHKVIKES-VIFPVBQESA-N 1 0 185.654 1.506 50 0 in-vitro ADAARO Cc1cccc([C@](C)(O)C[NH3+])c1 50093769 343277655 /nfs/dbraw/zinc/27/76/55/343277655.db2.gz KDJKCQOXHFKRDT-SNVBAGLBSA-N 1 0 165.236 1.161 50 0 ADAARO C[N@H+](CCO)CC1CCCC1 50104650 343278075 /nfs/dbraw/zinc/27/80/75/343278075.db2.gz QGXZTHCOIRZLRN-UHFFFAOYSA-N 1 0 157.257 1.101 50 0 ADAARO C[C@H]1C[NH2+]C[C@H](c2ccsc2)O1 50339961 343282177 /nfs/dbraw/zinc/28/21/77/343282177.db2.gz WVKONACANKCVGD-IONNQARKSA-N 1 0 183.276 1.798 50 0 ADAARO Cc1cccnc1NC1CC[NH2+]CC1 51041260 343288341 /nfs/dbraw/zinc/28/83/41/343288341.db2.gz QBHYNPMGPLOJCR-UHFFFAOYSA-N 1 0 191.278 1.554 50 0 ADAARO Cc1ccc(O[C@H]2CC[NH2+]C2)nc1 51868134 343294562 /nfs/dbraw/zinc/29/45/62/343294562.db2.gz LWJPUNUAQFDVFC-VIFPVBQESA-N 1 0 178.235 1.131 50 0 ADAARO Cc1cccnc1O[C@H]1CCC[NH2+]C1 51873012 343294917 /nfs/dbraw/zinc/29/49/17/343294917.db2.gz MOYYAGNAYHQLQW-JTQLQIEISA-N 1 0 192.262 1.521 50 0 ADAARO Cc1cccnc1O[C@@H]1CCC[NH2+]C1 51873009 343295020 /nfs/dbraw/zinc/29/50/20/343295020.db2.gz MOYYAGNAYHQLQW-SNVBAGLBSA-N 1 0 192.262 1.521 50 0 ADAARO C[C@]1(c2ccccc2)CC[NH2+]C1 51955270 343297296 /nfs/dbraw/zinc/29/72/96/343297296.db2.gz FITWJEPAVCOKSH-NSHDSACASA-N 1 0 161.248 1.938 50 0 in-vitro ADAARO CC(C)[C@@]1(C)CC[NH2+]C1 51955325 343297305 /nfs/dbraw/zinc/29/73/05/343297305.db2.gz XCCWGCFEJXRKBR-QMMMGPOBSA-N 1 0 127.231 1.642 50 0 ADAARO CC(C)[C@]1(C)CC[NH2+]C1 51955324 343297311 /nfs/dbraw/zinc/29/73/11/343297311.db2.gz XCCWGCFEJXRKBR-MRVPVSSYSA-N 1 0 127.231 1.642 50 0 ADAARO C[C@]1(c2ccccc2)C[C@@H]1[NH3+] 52126356 343301006 /nfs/dbraw/zinc/30/10/06/343301006.db2.gz DZOORLACDVEKJC-VHSXEESVSA-N 1 0 147.221 1.675 50 0 in-vitro ADAARO CC(C)[C@]1(C)C[C@@H]1[NH3+] 52126432 343301012 /nfs/dbraw/zinc/30/10/12/343301012.db2.gz FIFVQIHRUPUBLG-BQBZGAKWSA-N 1 0 113.204 1.380 50 0 ADAARO C[C@@]1(c2cccc(F)c2)C[C@@H]1[NH3+] 52126381 343301014 /nfs/dbraw/zinc/30/10/14/343301014.db2.gz SNENBAHMGKPYPK-UWVGGRQHSA-N 1 0 165.211 1.814 50 0 in-vitro ADAARO C[C@]1(c2cccc(F)c2)C[C@@H]1[NH3+] 52126380 343301024 /nfs/dbraw/zinc/30/10/24/343301024.db2.gz SNENBAHMGKPYPK-VHSXEESVSA-N 1 0 165.211 1.814 50 0 in-vitro ADAARO CC(C)[C@]1(C)C[C@H]1[NH3+] 52126434 343301031 /nfs/dbraw/zinc/30/10/31/343301031.db2.gz FIFVQIHRUPUBLG-RQJHMYQMSA-N 1 0 113.204 1.380 50 0 ADAARO C[C@]1(c2cccc(F)c2)C[C@H]1[NH3+] 52126382 343301039 /nfs/dbraw/zinc/30/10/39/343301039.db2.gz SNENBAHMGKPYPK-NXEZZACHSA-N 1 0 165.211 1.814 50 0 in-vitro ADAARO C[C@@]1(c2ccccc2)C[C@H]1[NH3+] 52126359 343301040 /nfs/dbraw/zinc/30/10/40/343301040.db2.gz DZOORLACDVEKJC-ZJUUUORDSA-N 1 0 147.221 1.675 50 0 in-vitro ADAARO C[C@@]1(c2cc(F)ccc2F)C[C@@H]1[NH3+] 52126337 343301042 /nfs/dbraw/zinc/30/10/42/343301042.db2.gz DWMCDWNCRGQBGV-UWVGGRQHSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@H]1CNCC[N@@H+](C2CCC2)C1 52213797 343302296 /nfs/dbraw/zinc/30/22/96/343302296.db2.gz NWDAHVJVGDJIDT-VIFPVBQESA-N 1 0 168.284 1.080 50 0 in-vitro ADAARO C[NH+](C)Cc1ccnc(Cl)c1 52709014 343306678 /nfs/dbraw/zinc/30/66/78/343306678.db2.gz WUIROYHMQHMUKH-UHFFFAOYSA-N 1 0 170.643 1.797 50 0 in-vitro ADAARO C[NH2+]CC1(c2ccccc2)CC1 53737617 343315676 /nfs/dbraw/zinc/31/56/76/343315676.db2.gz QUSKKGMGXJUTKR-UHFFFAOYSA-N 1 0 161.248 1.938 50 0 in-vitro ADAARO Cc1cnc([C@@H]2CCC[NH2+]C2)s1 54158979 343318956 /nfs/dbraw/zinc/31/89/56/343318956.db2.gz JTFGCOFDZSFVJB-MRVPVSSYSA-N 1 0 182.292 1.919 50 0 in-vitro ADAARO CC[C@@H](CSC)[NH2+]C 54495475 343325187 /nfs/dbraw/zinc/32/51/87/343325187.db2.gz LDPYPWJIRZXMOE-LURJTMIESA-N 1 0 133.260 1.347 50 0 in-vitro ADAARO C[C@]1(c2cccs2)C[C@@H]1C[NH3+] 54587298 343326210 /nfs/dbraw/zinc/32/62/10/343326210.db2.gz VIJZEALGHWQUFF-APPZFPTMSA-N 1 0 167.277 1.984 50 0 in-vitro ADAARO CCC1(C[NH3+])CCCC1 54635592 343327471 /nfs/dbraw/zinc/32/74/71/343327471.db2.gz OTQXRFMVYKTLAT-UHFFFAOYSA-N 1 0 127.231 1.916 50 0 in-vitro ADAARO C[C@H]([NH3+])c1nc(-c2cccs2)n[nH]1 54700207 343327862 /nfs/dbraw/zinc/32/78/62/343327862.db2.gz AVSNPKFQASEHNB-YFKPBYRVSA-N 1 0 194.263 1.553 50 0 ADAARO CC(C)OC1CCC([NH3+])CC1 55143126 343334276 /nfs/dbraw/zinc/33/42/76/343334276.db2.gz VIBZEOYMXOCRTD-UHFFFAOYSA-N 1 0 157.257 1.681 50 0 in-vitro ADAARO Cc1csc([C@@H]2C[NH2+]CCO2)n1 57217666 343336044 /nfs/dbraw/zinc/33/60/44/343336044.db2.gz CUCRHVGVBRIYEP-ZETCQYMHSA-N 1 0 184.264 1.112 50 0 in-vitro ADAARO Cc1ccc(NC[C@H]2CC[NH2+]C2)nc1 57217712 343336081 /nfs/dbraw/zinc/33/60/81/343336081.db2.gz BRACWWFOQZIZQC-JTQLQIEISA-N 1 0 191.278 1.411 50 0 in-vitro ADAARO Cc1ccc(-n2cnnc2C[NH3+])cc1 56894971 343336092 /nfs/dbraw/zinc/33/60/92/343336092.db2.gz WWIFSEWRLZZMJQ-UHFFFAOYSA-N 1 0 188.234 1.034 50 0 ADAARO CCc1cc(OC)ccc1C[NH3+] 59581374 343346185 /nfs/dbraw/zinc/34/61/85/343346185.db2.gz DRROATORCFBYQY-UHFFFAOYSA-N 1 0 165.236 1.716 50 0 ADAARO CNC(=[NH2+])c1ccccc1Cl 62994449 343394966 /nfs/dbraw/zinc/39/49/66/343394966.db2.gz OMDUAKFWQGFCRT-UHFFFAOYSA-N 1 0 168.627 1.885 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ncc(F)cc1F 66054733 343408898 /nfs/dbraw/zinc/40/88/98/343408898.db2.gz YIVYDQMDAGDWBF-BYPYZUCNSA-N 1 0 158.151 1.380 50 0 in-vitro ADAARO Cc1cccc([C@H](C[NH3+])CO)c1 66325603 343409956 /nfs/dbraw/zinc/40/99/56/343409956.db2.gz RFGSESSVOLYUNI-SNVBAGLBSA-N 1 0 165.236 1.030 50 0 ADAARO CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C 68577358 343411627 /nfs/dbraw/zinc/41/16/27/343411627.db2.gz LNKAEQDCFIAODV-BBBLOLIVSA-N 1 0 183.295 1.800 50 0 in-vitro ADAARO CC[C@@H]1CCC[C@@H]([NH3+])C1 68593498 343412217 /nfs/dbraw/zinc/41/22/17/343412217.db2.gz AYIHVGHQMYIGRH-HTQZYQBOSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO C[NH2+]C1CCC(OC)CC1 68590420 343412229 /nfs/dbraw/zinc/41/22/29/343412229.db2.gz ZBUSNXOOCDOHST-UHFFFAOYSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO CC[C@H]1CCC[C@@H]([NH3+])C1 68593502 343412236 /nfs/dbraw/zinc/41/22/36/343412236.db2.gz AYIHVGHQMYIGRH-JGVFFNPUSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO Cc1[nH+]c(CO)c2ccccn12 68593481 343412250 /nfs/dbraw/zinc/41/22/50/343412250.db2.gz ZBXAQBBZJMRXQE-UHFFFAOYSA-N 1 0 162.192 1.135 50 0 in-vitro ADAARO Cc1ccc2[nH]c(N)[nH+]c2c1 63060535 343399148 /nfs/dbraw/zinc/39/91/48/343399148.db2.gz MZZZAWDOYQWKMR-UHFFFAOYSA-N 1 0 147.181 1.454 50 0 in-vitro ADAARO CN(C[C@H]([NH3+])C1CC1)c1ccccc1 68893515 343413242 /nfs/dbraw/zinc/41/32/42/343413242.db2.gz BZLWSIZLIJGBCR-LBPRGKRZSA-N 1 0 190.290 1.860 50 0 ADAARO CO[C@@H]1CCC[C@@H](O[C@@H]2CC[NH2+]C2)C1 69848755 343448048 /nfs/dbraw/zinc/44/80/48/343448048.db2.gz NXILUPQLOIZMJQ-GMTAPVOTSA-N 1 0 199.294 1.323 50 0 ADAARO CO[C@@H]1CCC[C@H](O[C@@H]2CC[NH2+]C2)C1 69848750 343448058 /nfs/dbraw/zinc/44/80/58/343448058.db2.gz NXILUPQLOIZMJQ-OUAUKWLOSA-N 1 0 199.294 1.323 50 0 ADAARO C[C@H]1C[C@@]2(CC[NH2+]C2)CCO1 69898690 343454334 /nfs/dbraw/zinc/45/43/34/343454334.db2.gz LCIIDVSDVUVNDF-DTWKUNHWSA-N 1 0 155.241 1.165 50 0 ADAARO Cc1ccc(C2=NO[C@H](C[NH3+])C2)cc1 69978435 343463800 /nfs/dbraw/zinc/46/38/00/343463800.db2.gz WGODSOINPJVQMD-JTQLQIEISA-N 1 0 190.246 1.447 50 0 in-vitro ADAARO CC(=O)NC[C@H](C)C[NH+]1CCCCC1 70227664 343482709 /nfs/dbraw/zinc/48/27/09/343482709.db2.gz GOINMHJWEKJPKS-JTQLQIEISA-N 1 0 198.310 1.245 50 0 ADAARO CCn1ccnc1[C@@H]1CCCC[NH2+]1 70543316 343489784 /nfs/dbraw/zinc/48/97/84/343489784.db2.gz ZZBRRMLCIOUCRG-VIFPVBQESA-N 1 0 179.267 1.718 50 0 ADAARO Cc1ccn([C@@H]2CCC[NH2+]C2)n1 70629748 343509258 /nfs/dbraw/zinc/50/92/58/343509258.db2.gz PYNODVRDNCOPPA-SECBINFHSA-N 1 0 165.240 1.116 50 0 ADAARO CC[C@@](C)([NH3+])c1ncccn1 70948720 343543201 /nfs/dbraw/zinc/54/32/01/343543201.db2.gz KKPXUKAGICIJBH-MRVPVSSYSA-N 1 0 151.213 1.061 50 0 ADAARO CC(C)c1cc(=O)[nH]c(C(C)(C)[NH3+])n1 70948596 343543220 /nfs/dbraw/zinc/54/32/20/343543220.db2.gz OQHHOVZHHKOHHZ-UHFFFAOYSA-N 1 0 195.266 1.087 50 0 ADAARO C[C@H]([NH3+])c1nccc(C(F)(F)F)n1 70947566 343543226 /nfs/dbraw/zinc/54/32/26/343543226.db2.gz DQJVBYWUPLZKPB-BYPYZUCNSA-N 1 0 191.156 1.515 50 0 ADAARO Cc1cc([C@](C)(O)C[NH3+])c(C)o1 71372340 343552512 /nfs/dbraw/zinc/55/25/12/343552512.db2.gz IBRCIFMMJKHDPF-SECBINFHSA-N 1 0 169.224 1.063 50 0 in-vitro ADAARO C[C@H]1C[C@@H]([NH3+])C(=O)N1c1ccccc1 71373528 343552550 /nfs/dbraw/zinc/55/25/50/343552550.db2.gz XGXDBLPZUSKNSA-WCBMZHEXSA-N 1 0 190.246 1.139 50 0 in-vitro ADAARO C[S@](=O)C[C@H]([NH3+])c1ccccc1 71373314 343552571 /nfs/dbraw/zinc/55/25/71/343552571.db2.gz XYQCUGXQYRHLAX-JOYOIKCWSA-N 1 0 183.276 1.065 50 0 ADAARO CC[C@@](C)(CCC[NH3+])C1OCCO1 71372370 343552578 /nfs/dbraw/zinc/55/25/78/343552578.db2.gz AEBJQGIHPKWGRJ-JTQLQIEISA-N 1 0 187.283 1.515 50 0 in-vitro ADAARO CC[C@@H]([NH3+])C(=O)Nc1cnccc1C 70959337 343544940 /nfs/dbraw/zinc/54/49/40/343544940.db2.gz TWERDXWVRZZQDF-MRVPVSSYSA-N 1 0 193.250 1.066 50 0 ADAARO CC(C)[C@H]1OCCC[C@H]1C[NH3+] 72312396 343569190 /nfs/dbraw/zinc/56/91/90/343569190.db2.gz LLIFJHZIHLUNFE-DTWKUNHWSA-N 1 0 157.257 1.396 50 0 in-vitro ADAARO Cc1ccc(C[C@H]2CC[NH2+]C2)nc1 72344175 343569891 /nfs/dbraw/zinc/56/98/91/343569891.db2.gz DUAPMMFYSPWVMB-SNVBAGLBSA-N 1 0 176.263 1.542 50 0 ADAARO C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 72381246 343569907 /nfs/dbraw/zinc/56/99/07/343569907.db2.gz ZOTIXLBLJLFKBN-MRVPVSSYSA-N 1 0 151.213 1.176 50 0 ADAARO [NH3+]CCCCOc1cccc(O)c1 74302322 343572168 /nfs/dbraw/zinc/57/21/68/343572168.db2.gz OFHAFRPQYZHMGM-UHFFFAOYSA-N 1 0 181.235 1.510 50 0 ADAARO C[C@H]([NH3+])c1ccc(Cl)cn1 74342401 343572919 /nfs/dbraw/zinc/57/29/19/343572919.db2.gz HMFCMANDGJSIMX-YFKPBYRVSA-N 1 0 156.616 1.755 50 0 in-vitro ADAARO C[C@H](O)c1ccc2c(c1)C[NH2+]CCO2 74941303 343575103 /nfs/dbraw/zinc/57/51/03/343575103.db2.gz INWAXVIEHILFAD-QMMMGPOBSA-N 1 0 193.246 1.222 50 0 ADAARO C[C@H]([NH3+])c1ncccc1Cl 75085133 343575582 /nfs/dbraw/zinc/57/55/82/343575582.db2.gz LQNYOSWQUKAKNL-YFKPBYRVSA-N 1 0 156.616 1.755 50 0 ADAARO CC(C)c1nc2n(n1)CCC[C@H]2[NH3+] 74941932 343575591 /nfs/dbraw/zinc/57/55/91/343575591.db2.gz IMRZKUTYLGRDJX-SSDOTTSWSA-N 1 0 180.255 1.195 50 0 in-vitro ADAARO C[C@H]([NH3+])CC(=O)c1ccco1 75110681 343575612 /nfs/dbraw/zinc/57/56/12/343575612.db2.gz APEQIFISCQQGBW-LURJTMIESA-N 1 0 153.181 1.200 50 0 in-vitro ADAARO CC1(C)C[NH2+]CCC1(F)F 79034213 343586542 /nfs/dbraw/zinc/58/65/42/343586542.db2.gz ZIHGCCDYIDGETL-UHFFFAOYSA-N 1 0 149.184 1.641 50 0 in-vitro ADAARO C[C@H]([NH3+])c1nc2c([nH]1)CCCC2 82510217 343605450 /nfs/dbraw/zinc/60/54/50/343605450.db2.gz HOAPQNRSOTVRON-LURJTMIESA-N 1 0 165.240 1.308 50 0 ADAARO Cc1n[nH]c(C2CC[NH2+]CC2)c1C 82529585 343605928 /nfs/dbraw/zinc/60/59/28/343605928.db2.gz FGGWKRWDVQGZCR-UHFFFAOYSA-N 1 0 179.267 1.494 50 0 ADAARO Cc1coc([C@H]2CCC[NH2+]2)n1 82522424 343605948 /nfs/dbraw/zinc/60/59/48/343605948.db2.gz YLGYWVFYKSDNKL-SSDOTTSWSA-N 1 0 152.197 1.408 50 0 ADAARO Cc1n[nH]c(C)c1[C@@H]1CCC[NH2+]1 82403313 343601422 /nfs/dbraw/zinc/60/14/22/343601422.db2.gz JFSZUEYFPBWDIE-QMMMGPOBSA-N 1 0 165.240 1.451 50 0 in-vitro ADAARO Cc1ccc(C2(C[NH3+])CC2)nc1 82850586 343614092 /nfs/dbraw/zinc/61/40/92/343614092.db2.gz CSRHKVBYOAFDIW-UHFFFAOYSA-N 1 0 162.236 1.380 50 0 ADAARO C1CC(O[C@H]2CCC[NH2+]CC2)C1 82667274 343609718 /nfs/dbraw/zinc/60/97/18/343609718.db2.gz PYRVDDPGOVAREQ-JTQLQIEISA-N 1 0 169.268 1.698 50 0 ADAARO Cc1cccc(C)c1C[NH2+]CCO 83340437 343618933 /nfs/dbraw/zinc/61/89/33/343618933.db2.gz KQKCVIUJSADYGI-UHFFFAOYSA-N 1 0 179.263 1.385 50 0 ADAARO CC1(C)CC[C@H](C[NH3+])C1 83825475 343625067 /nfs/dbraw/zinc/62/50/67/343625067.db2.gz CNGKJQOCQZBXEQ-ZETCQYMHSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO [NH3+]C[C@]1(c2ccccc2)CCOC1 84249286 343633228 /nfs/dbraw/zinc/63/32/28/343633228.db2.gz XRIXJLVASXOLNP-LLVKDONJSA-N 1 0 177.247 1.303 50 0 ADAARO C[C@@]1(C(F)(F)F)CC[NH2+]C1 84328517 343634153 /nfs/dbraw/zinc/63/41/53/343634153.db2.gz NMSOGYZRNLIMKH-RXMQYKEDSA-N 1 0 153.147 1.548 50 0 ADAARO C[C@]1(C(F)(F)F)CC[NH2+]C1 84328515 343634155 /nfs/dbraw/zinc/63/41/55/343634155.db2.gz NMSOGYZRNLIMKH-YFKPBYRVSA-N 1 0 153.147 1.548 50 0 ADAARO CC(C)[N@@H+]1C[C@@H](C)[C@H](O)C[C@H]1C 85409923 343644141 /nfs/dbraw/zinc/64/41/41/343644141.db2.gz LOJBMEUIYQOYTE-OPRDCNLKSA-N 1 0 171.284 1.486 50 0 ADAARO CC(C)[N@@H+]1C[C@@H](C)[C@H](O)C[C@@H]1C 85409926 343644148 /nfs/dbraw/zinc/64/41/48/343644148.db2.gz LOJBMEUIYQOYTE-KXUCPTDWSA-N 1 0 171.284 1.486 50 0 ADAARO C[C@H](O)C[C@H]1CCCCC[NH2+]1 86454026 343651984 /nfs/dbraw/zinc/65/19/84/343651984.db2.gz ODOKIGUNVGCUOY-DTWKUNHWSA-N 1 0 157.257 1.290 50 0 in-vitro ADAARO CCOCC[N@H+](C)CCC[C@@H](C)O 87978891 343665865 /nfs/dbraw/zinc/66/58/65/343665865.db2.gz OBTWAKVPPUKKDZ-SNVBAGLBSA-N 1 0 189.299 1.116 50 0 ADAARO CCn1c(N)[nH+]c2cc(CO)ccc21 88613694 343671861 /nfs/dbraw/zinc/67/18/61/343671861.db2.gz HONZTPAEKOEZSI-UHFFFAOYSA-N 1 0 191.234 1.131 50 0 in-vitro ADAARO CC(C)c1nccn1[C@H]1CCC[NH2+]C1 90225639 343675132 /nfs/dbraw/zinc/67/51/32/343675132.db2.gz FCKKINSVCUYPGP-JTQLQIEISA-N 1 0 193.294 1.931 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])c1nc2c([nH]1)CCCC2 90397792 343675134 /nfs/dbraw/zinc/67/51/34/343675134.db2.gz PZNOQNBHUNWTMN-SNVBAGLBSA-N 1 0 193.294 1.944 50 0 ADAARO CC(C)c1nccn1[C@@H]1CCC[NH2+]C1 90225638 343675137 /nfs/dbraw/zinc/67/51/37/343675137.db2.gz FCKKINSVCUYPGP-SNVBAGLBSA-N 1 0 193.294 1.931 50 0 in-vitro ADAARO CC1(C)CC[NH2+]CCS1 90397157 343675160 /nfs/dbraw/zinc/67/51/60/343675160.db2.gz YZWAFSCFMWWRJB-UHFFFAOYSA-N 1 0 145.271 1.492 50 0 in-vitro ADAARO CN1CC[N@H+](C)Cc2ccc(N)cc21 90225745 343675173 /nfs/dbraw/zinc/67/51/73/343675173.db2.gz LIDJRDIFECEBQM-UHFFFAOYSA-N 1 0 191.278 1.150 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])c1nc2c([nH]1)CCCC2 90397787 343675198 /nfs/dbraw/zinc/67/51/98/343675198.db2.gz PZNOQNBHUNWTMN-JTQLQIEISA-N 1 0 193.294 1.944 50 0 ADAARO C[C@H](CCO)C1(C[NH3+])CCC1 90225787 343675205 /nfs/dbraw/zinc/67/52/05/343675205.db2.gz WEFPBWBKWIEGRZ-MRVPVSSYSA-N 1 0 157.257 1.134 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ncc(F)cc1Cl 91692938 343677917 /nfs/dbraw/zinc/67/79/17/343677917.db2.gz SDUHKTNKBOJHSU-BYPYZUCNSA-N 1 0 174.606 1.894 50 0 ADAARO Cc1ccc([C@@H]([NH3+])C2CC2)nc1 95705952 343685473 /nfs/dbraw/zinc/68/54/73/343685473.db2.gz AAJDVKHJRBXVJX-JTQLQIEISA-N 1 0 162.236 1.800 50 0 ADAARO Cc1cc(F)ccc1[C@@H]1C[NH2+]CCN1 95691201 343685493 /nfs/dbraw/zinc/68/54/93/343685493.db2.gz DYANWVNTGDQHGY-NSHDSACASA-N 1 0 194.253 1.368 50 0 ADAARO Cc1c2cc(C[NH3+])ccc2nn1C 95707212 343685504 /nfs/dbraw/zinc/68/55/04/343685504.db2.gz SRNRGINATDNXSY-UHFFFAOYSA-N 1 0 175.235 1.340 50 0 ADAARO Cc1ccccc1[C@H]1C[NH2+]CCN1 95691638 343685506 /nfs/dbraw/zinc/68/55/06/343685506.db2.gz XAKNKYFHCKANSL-LLVKDONJSA-N 1 0 176.263 1.229 50 0 ADAARO C[C@@]12CC[NH2+]C[C@@H]1C2 95707877 343685982 /nfs/dbraw/zinc/68/59/82/343685982.db2.gz ZBMMYZWZFOMHSM-BQBZGAKWSA-N 1 0 111.188 1.006 50 0 ADAARO Cc1ccc([C@H]([NH3+])C2CC2)nc1 95715302 343685988 /nfs/dbraw/zinc/68/59/88/343685988.db2.gz AAJDVKHJRBXVJX-SNVBAGLBSA-N 1 0 162.236 1.800 50 0 ADAARO C[C@H]1[NH2+]CCC[C@@]1(O)c1ccccc1 96026919 343692963 /nfs/dbraw/zinc/69/29/63/343692963.db2.gz XSVDDNHOLNHOML-PWSUYJOCSA-N 1 0 191.274 1.646 50 0 ADAARO c1coc(CSC2=[NH+]CCN2)c1 96027254 343692978 /nfs/dbraw/zinc/69/29/78/343692978.db2.gz YQOMUMPZBKRVGW-UHFFFAOYSA-N 1 0 182.248 1.472 50 0 ADAARO COC(=O)NCCCC[NH2+]C(C)C 96027368 343692981 /nfs/dbraw/zinc/69/29/81/343692981.db2.gz FZBZUVBWTBRRRC-UHFFFAOYSA-N 1 0 188.271 1.121 50 0 ADAARO C[C@@H]1[NH2+]CCC[C@]1(O)c1ccccc1 96026922 343692982 /nfs/dbraw/zinc/69/29/82/343692982.db2.gz XSVDDNHOLNHOML-CMPLNLGQSA-N 1 0 191.274 1.646 50 0 ADAARO CC[C@@H]1[NH+]=CNC=C1Br 97756651 343703474 /nfs/dbraw/zinc/70/34/74/343703474.db2.gz SATOWWCSWKAUNO-LURJTMIESA-N 1 0 189.056 1.633 50 0 ADAARO CC[C@@H]1CN2CCCC[C@H]2C[NH2+]1 101648199 343724962 /nfs/dbraw/zinc/72/49/62/343724962.db2.gz PLYRTYMUDUFVSL-ZJUUUORDSA-N 1 0 168.284 1.223 50 0 in-vitro ADAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCCC1=O 101640326 343724973 /nfs/dbraw/zinc/72/49/73/343724973.db2.gz WCSFWFSXBSMKMY-ZJUUUORDSA-N 1 0 181.279 1.840 50 0 in-vitro ADAARO CC[C@H]1CN2CCCC[C@H]2C[NH2+]1 101648196 343724980 /nfs/dbraw/zinc/72/49/80/343724980.db2.gz PLYRTYMUDUFVSL-UWVGGRQHSA-N 1 0 168.284 1.223 50 0 in-vitro ADAARO C[C@]1([NH3+])Cc2ccccc21 104597573 343733447 /nfs/dbraw/zinc/73/34/47/343733447.db2.gz PGQILBLSHQORKS-VIFPVBQESA-N 1 0 133.194 1.417 50 0 ADAARO C[C@H]1CC[NH2+]CCC1(F)F 110916019 343753738 /nfs/dbraw/zinc/75/37/38/343753738.db2.gz KSDBKSTXUKTKSC-LURJTMIESA-N 1 0 149.184 1.641 50 0 ADAARO C1CC[C@@H]([C@H]2CCOC2)C[NH2+]C1 128622145 343834551 /nfs/dbraw/zinc/83/45/51/343834551.db2.gz DMDIUHSDJYBJFE-ZJUUUORDSA-N 1 0 169.268 1.413 50 0 ADAARO Brc1c[nH+]cc2c1NCC2 88190034 166009378 /nfs/dbraw/zinc/00/93/78/166009378.db2.gz JJFKFGYOEUQPJC-UHFFFAOYSA-N 1 0 199.051 1.812 50 0 in-vitro ADAARO Brc1cnc2c(c1)C[NH2+]C2 82911681 166009580 /nfs/dbraw/zinc/00/95/80/166009580.db2.gz MEOZGVJCHUMHCL-UHFFFAOYSA-N 1 0 199.051 1.447 50 0 in-vitro ADAARO C/C(Cl)=C/CSC(N)=[NH2+] 13693447 166056214 /nfs/dbraw/zinc/05/62/14/166056214.db2.gz JIDJNHNKUZVXIQ-RQOWECAXSA-N 1 0 164.661 1.756 50 0 ADAARO C/C(Cl)=C/C[NH3+] 2508704 166056373 /nfs/dbraw/zinc/05/63/73/166056373.db2.gz JKKBTAMRLCIUDD-RQOWECAXSA-N 1 0 105.568 1.088 50 0 in-vitro ADAARO C/C=C(\C)C[NH+]1CCC(C(N)=O)CC1 219839 166058736 /nfs/dbraw/zinc/05/87/36/166058736.db2.gz RFTWEKDPSRPORQ-YCRREMRBSA-N 1 0 196.294 1.150 50 0 ADAARO C/C=C(\C)C[N@H+](CC)CCN(C)C 19642316 166058741 /nfs/dbraw/zinc/05/87/41/166058741.db2.gz IJIAURMZNPMBJW-IZZDOVSWSA-N 1 0 184.327 1.836 50 0 ADAARO C/C=C(\C)C[NH+]1CCOCC1 23550019 166059378 /nfs/dbraw/zinc/05/93/78/166059378.db2.gz UUFQPKBTNLIQQR-YCRREMRBSA-N 1 0 155.241 1.285 50 0 ADAARO C/C=C(\C)C[N@@H+]1CCCN(C)CC1 23550016 166059503 /nfs/dbraw/zinc/05/95/03/166059503.db2.gz BHNVQJIMPOWQKV-NYYWCZLTSA-N 1 0 182.311 1.590 50 0 ADAARO C/C=C(\C)CN(C)CC[NH+](C)C 19642300 166059579 /nfs/dbraw/zinc/05/95/79/166059579.db2.gz ZTGONZTZFISPMO-UXBLZVDNSA-N 1 0 170.300 1.446 50 0 ADAARO C/C=C(\C)C[N@@H+]1CCC[C@@H](O)C1 23550017 166059587 /nfs/dbraw/zinc/05/95/87/166059587.db2.gz JRPNTMACYCMZSW-OTVCUZDGSA-N 1 0 169.268 1.409 50 0 ADAARO C/C=C(\C)C[NH+]1CCN(CC)CC1 22586936 166059645 /nfs/dbraw/zinc/05/96/45/166059645.db2.gz ZVNSMJWDRUXHOX-NYYWCZLTSA-N 1 0 182.311 1.590 50 0 ADAARO C/C=C(\C)C[NH+]1CCN(C)CC1 19642296 166059661 /nfs/dbraw/zinc/05/96/61/166059661.db2.gz ARPHXMDMCOJJRJ-ONNFQVAWSA-N 1 0 168.284 1.200 50 0 ADAARO C/C=C(\C)C[N@@H+]1CCC[C@H](O)C1 23550018 166060208 /nfs/dbraw/zinc/06/02/08/166060208.db2.gz JRPNTMACYCMZSW-RZCNENHTSA-N 1 0 169.268 1.409 50 0 ADAARO C/C=C/C=C/C[NH3+] 34236211 166061818 /nfs/dbraw/zinc/06/18/18/166061818.db2.gz IGQDXHNZLXHDRZ-MQQKCMAXSA-N 1 0 97.161 1.077 50 0 ADAARO C/C=C/C[NH2+][C@H](C)CC 29865955 166062732 /nfs/dbraw/zinc/06/27/32/166062732.db2.gz VMAILCDGIOCXSV-YZCDNWJKSA-N 1 0 127.231 1.951 50 0 ADAARO C/C=C/C[NH2+][C@@H](C)CC 29865957 166063615 /nfs/dbraw/zinc/06/36/15/166063615.db2.gz VMAILCDGIOCXSV-JQTRYQTASA-N 1 0 127.231 1.951 50 0 ADAARO C/C=C/[C@@H]([NH3+])CC(=O)OC(C)(C)C 2569674 166064585 /nfs/dbraw/zinc/06/45/85/166064585.db2.gz LHUYXHJTMVKEOM-HQZHTGGTSA-N 1 0 185.267 1.622 50 0 ADAARO C1=C(c2c[nH]c3ncccc23)CC[NH2+]C1 8780032 166070957 /nfs/dbraw/zinc/07/09/57/166070957.db2.gz OQDGBIQQFFTLKL-UHFFFAOYSA-N 1 0 199.257 1.940 50 0 biogenic,in-vitro ADAARO C1=C([NH+]2CCOCC2)CCCC1 159833 166071223 /nfs/dbraw/zinc/07/12/23/166071223.db2.gz IIQFBBQJYPGOHJ-UHFFFAOYSA-N 1 0 167.252 1.777 50 0 in-vitro ADAARO C1=C(c2ccccc2)C[NH2+]C1 33648252 166071534 /nfs/dbraw/zinc/07/15/34/166071534.db2.gz RMASDOGCVKBOCY-UHFFFAOYSA-N 1 0 145.205 1.673 50 0 in-vitro ADAARO C1=C(c2c[nH]c3cccnc23)CC[NH2+]C1 12292 166072150 /nfs/dbraw/zinc/07/21/50/166072150.db2.gz UTZWZATUUDPCFB-UHFFFAOYSA-N 1 0 199.257 1.940 50 0 in-vitro ADAARO C1=C(c2cc3cccnc3[nH]2)CC[NH2+]C1 90225812 166072311 /nfs/dbraw/zinc/07/23/11/166072311.db2.gz OIUSTBMJGHOVDH-UHFFFAOYSA-N 1 0 199.257 1.940 50 0 in-vitro ADAARO C1=C([NH+]2CCOCC2)CCC1 391801 166072743 /nfs/dbraw/zinc/07/27/43/166072743.db2.gz VAPOFMGACKUWCI-UHFFFAOYSA-N 1 0 153.225 1.386 50 0 in-vitro ADAARO CNc1ccccc/c1=[NH+]\C 4871511 166072790 /nfs/dbraw/zinc/07/27/90/166072790.db2.gz PVUJEIMMYXGDRV-UHFFFAOYSA-N 1 0 148.209 1.259 50 0 ADAARO C1=C(c2cccnc2)CC[NH2+]C1 13470089 166073456 /nfs/dbraw/zinc/07/34/56/166073456.db2.gz IFBCFXJHNJUIRK-UHFFFAOYSA-N 1 0 160.220 1.458 50 0 in-vitro ADAARO C1=CCC23CC=CCC2(C1)[NH2+]3 4831029 166073461 /nfs/dbraw/zinc/07/34/61/166073461.db2.gz DUYZYBHSKXBARX-UHFFFAOYSA-N 1 0 147.221 1.767 50 0 ADAARO C1=C(c2cccnc2)C[NH2+]C1 28873859 166073511 /nfs/dbraw/zinc/07/35/11/166073511.db2.gz MBXVOARLUVJISP-UHFFFAOYSA-N 1 0 146.193 1.068 50 0 ADAARO C1=C(c2ccccn2)C[NH2+]CC1 113247092 166073801 /nfs/dbraw/zinc/07/38/01/166073801.db2.gz ORBZHPMIKIFVPF-UHFFFAOYSA-N 1 0 160.220 1.458 50 0 ADAARO C1=C(c2ccncc2)C[NH2+]C1 28873862 166074029 /nfs/dbraw/zinc/07/40/29/166074029.db2.gz VFNONVQZSSUTKY-UHFFFAOYSA-N 1 0 146.193 1.068 50 0 ADAARO C1=C(c2ccco2)C[NH2+]CC1 225517359 166074355 /nfs/dbraw/zinc/07/43/55/166074355.db2.gz MNGIUMZVCJGJCZ-UHFFFAOYSA-N 1 0 149.193 1.656 50 0 in-vitro ADAARO C1=CC2(CCCC2)[NH2+]C1 390822122 166074568 /nfs/dbraw/zinc/07/45/68/166074568.db2.gz GVRCPAJIWOESME-UHFFFAOYSA-N 1 0 123.199 1.459 50 0 ADAARO C1=C(c2ccccn2)C[NH2+]C1 28873855 166074734 /nfs/dbraw/zinc/07/47/34/166074734.db2.gz LTNXRYQFKLUIAU-UHFFFAOYSA-N 1 0 146.193 1.068 50 0 ADAARO C1=C(c2ccccn2)CC[NH2+]C1 19811349 166074905 /nfs/dbraw/zinc/07/49/05/166074905.db2.gz IVRPDZRVHKIBBG-UHFFFAOYSA-N 1 0 160.220 1.458 50 0 in-vivo ADAARO C1=CC[C@H](C[NH+]2CCNCC2)CC1 19735211 166075364 /nfs/dbraw/zinc/07/53/64/166075364.db2.gz KAICLKLVRUKYRD-NSHDSACASA-N 1 0 180.295 1.248 50 0 ADAARO C1=CC[C@H](c2cccnc2)[NH2+]C1 14722827 166075385 /nfs/dbraw/zinc/07/53/85/166075385.db2.gz SOPPBXUYQGUQHE-SNVBAGLBSA-N 1 0 160.220 1.672 50 0 biogenic,in-vitro ADAARO C1=CC[C@@H]2C[NH2+]C[C@H]2C1 20135913 166075677 /nfs/dbraw/zinc/07/56/77/166075677.db2.gz HWZHYUCYEYJQTE-HTQZYQBOSA-N 1 0 123.199 1.172 50 0 in-vitro ADAARO C1=CC[C@H]2C[NH2+]C[C@@H]2C1 20135910 166075759 /nfs/dbraw/zinc/07/57/59/166075759.db2.gz HWZHYUCYEYJQTE-YUMQZZPRSA-N 1 0 123.199 1.172 50 0 in-vitro ADAARO C1=CC[C@@H](C[NH+]2CCOCC2)CC1 23550021 166075947 /nfs/dbraw/zinc/07/59/47/166075947.db2.gz KPKYRRUPHUATDQ-LLVKDONJSA-N 1 0 181.279 1.675 50 0 ADAARO C1=CC[C@H]2C[NH2+]C[C@H]2C1 16051356 166076120 /nfs/dbraw/zinc/07/61/20/166076120.db2.gz HWZHYUCYEYJQTE-OCAPTIKFSA-N 1 0 123.199 1.172 50 0 in-vitro ADAARO C1=CC[C@@H](c2cccnc2)[NH2+]C1 2555297 166076593 /nfs/dbraw/zinc/07/65/93/166076593.db2.gz SOPPBXUYQGUQHE-JTQLQIEISA-N 1 0 160.220 1.672 50 0 endogenous,in-man ADAARO C1=CC[C@@H](C[NH+]2CCNCC2)CC1 19735212 166076606 /nfs/dbraw/zinc/07/66/06/166076606.db2.gz KAICLKLVRUKYRD-LLVKDONJSA-N 1 0 180.295 1.248 50 0 ADAARO C1=CC[C@H](C[NH+]2CCOCC2)CC1 23550020 166076977 /nfs/dbraw/zinc/07/69/77/166076977.db2.gz KPKYRRUPHUATDQ-NSHDSACASA-N 1 0 181.279 1.675 50 0 ADAARO C1=C[C@@H](CC2CC2)[NH2+]C1 205362147 166077620 /nfs/dbraw/zinc/07/76/20/166077620.db2.gz QPJGLMCDTLZJBB-QMMMGPOBSA-N 1 0 123.199 1.315 50 0 ADAARO C1=C[C@@]2(CC[NH2+]C2)Oc2ccccc21 36141834 166077884 /nfs/dbraw/zinc/07/78/84/166077884.db2.gz CXYUYMGDCIRGNO-LBPRGKRZSA-N 1 0 187.242 1.824 50 0 ADAARO C1=C[C@H](CC2CC2)[NH2+]C1 205362166 166078361 /nfs/dbraw/zinc/07/83/61/166078361.db2.gz QPJGLMCDTLZJBB-MRVPVSSYSA-N 1 0 123.199 1.315 50 0 ADAARO C1=C[C@]2(CC[NH2+]C2)Oc2ccccc21 36141833 166079256 /nfs/dbraw/zinc/07/92/56/166079256.db2.gz CXYUYMGDCIRGNO-GFCCVEGCSA-N 1 0 187.242 1.824 50 0 ADAARO C1=C[C@H]2C[C@@H]1[C@H]1C[NH2+]C[C@@H]21 16978240 166079413 /nfs/dbraw/zinc/07/94/13/166079413.db2.gz CJMPQJDYEONFGO-SPJNRGJMSA-N 1 0 135.210 1.028 50 0 ADAARO C1=C[C@H]2CC[C@@H](C1)[NH2+]2 5134490 166079694 /nfs/dbraw/zinc/07/96/94/166079694.db2.gz SURHOQQBDZIWSO-NKWVEPMBSA-N 1 0 109.172 1.067 50 0 ADAARO C1=C[C@H]2CC=C[C@@H](C1)[NH2+]2 97442089 166079901 /nfs/dbraw/zinc/07/99/01/166079901.db2.gz YTOZPNCWDBMIIY-JGVFFNPUSA-N 1 0 121.183 1.233 50 0 ADAARO C1=[NH+]CCc2ccccc21 4403871 166081043 /nfs/dbraw/zinc/08/10/43/166081043.db2.gz NKSZCPBUWGZONP-UHFFFAOYSA-N 1 0 131.178 1.662 50 0 in-vitro ADAARO C1=[NH+]Cc2ccccc21 100074310 166081143 /nfs/dbraw/zinc/08/11/43/166081143.db2.gz LFHLEABTNIQIQO-UHFFFAOYSA-N 1 0 117.151 1.619 50 0 in-vitro ADAARO C1CC(C2CC[NH2+]CC2)C1 23890633 166083044 /nfs/dbraw/zinc/08/30/44/166083044.db2.gz LOOQDRUYWDSXME-UHFFFAOYSA-N 1 0 139.242 1.786 50 0 ADAARO C1CC(C[C@@H]2CC[NH2+]C2)C1 42784197 166083080 /nfs/dbraw/zinc/08/30/80/166083080.db2.gz DTYXLIYJPAQKGO-VIFPVBQESA-N 1 0 139.242 1.786 50 0 ADAARO C1CC(COC[C@@H]2CC[NH2+]C2)C1 42774305 166083150 /nfs/dbraw/zinc/08/31/50/166083150.db2.gz RVPGSDBMMJTELP-SNVBAGLBSA-N 1 0 169.268 1.413 50 0 ADAARO C1CC(CCOCC2CC2)CC[NH2+]1 42771506 166083201 /nfs/dbraw/zinc/08/32/01/166083201.db2.gz UIORIKSVOBBXTD-UHFFFAOYSA-N 1 0 183.295 1.803 50 0 ADAARO C1C2CC3CC1CC(C2)[NH2+]3 32297134 166083274 /nfs/dbraw/zinc/08/32/74/166083274.db2.gz ZLSDEVRDASOICE-UHFFFAOYSA-N 1 0 137.226 1.537 50 0 in-vitro ADAARO C1CC(CO[C@H]2CCC[NH2+]C2)C1 42783050 166083325 /nfs/dbraw/zinc/08/33/25/166083325.db2.gz IYVMJGBLCOOCRA-JTQLQIEISA-N 1 0 169.268 1.555 50 0 ADAARO C1CC(CO[C@@H]2CC[NH2+]C2)C1 42783055 166083366 /nfs/dbraw/zinc/08/33/66/166083366.db2.gz OCVLJAOOQBAXCO-SECBINFHSA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO C1CC(CC2CC2)CC[NH2+]1 18855491 166083445 /nfs/dbraw/zinc/08/34/45/166083445.db2.gz HCIFZXMESCVNCK-UHFFFAOYSA-N 1 0 139.242 1.786 50 0 ADAARO C1CC(C[C@H]2CC[NH2+]C2)C1 42784198 166083463 /nfs/dbraw/zinc/08/34/63/166083463.db2.gz DTYXLIYJPAQKGO-SECBINFHSA-N 1 0 139.242 1.786 50 0 ADAARO C1CC(C[N@@H+]2CCCNCC2)C1 49660604 166083475 /nfs/dbraw/zinc/08/34/75/166083475.db2.gz NTYQWWCWQFLXPD-UHFFFAOYSA-N 1 0 168.284 1.082 50 0 ADAARO C1CC(C[C@@H]2COCC[NH2+]2)C1 238854960 166083503 /nfs/dbraw/zinc/08/35/03/166083503.db2.gz PWWROMHJUXFNFT-SECBINFHSA-N 1 0 155.241 1.165 50 0 ADAARO C1CC(COC[C@H]2CCC[NH2+]C2)C1 42783053 166083536 /nfs/dbraw/zinc/08/35/36/166083536.db2.gz ZIFBIYIDTHNZEE-NSHDSACASA-N 1 0 183.295 1.803 50 0 ADAARO C1CC(C2CCOCC2)CC[NH2+]1 15442092 166083701 /nfs/dbraw/zinc/08/37/01/166083701.db2.gz RALDDGVJYRQRSJ-UHFFFAOYSA-N 1 0 169.268 1.413 50 0 ADAARO C1CC([NH2+]CC2CCOCC2)C1 52208704 166083753 /nfs/dbraw/zinc/08/37/53/166083753.db2.gz IFYCTEKOZLLLCV-UHFFFAOYSA-N 1 0 169.268 1.555 50 0 ADAARO C1CC(C[NH2+]C[C@@H]2CCCO2)C1 5612781 166083757 /nfs/dbraw/zinc/08/37/57/166083757.db2.gz VYNFOTRDWVGIRB-JTQLQIEISA-N 1 0 169.268 1.555 50 0 in-vitro ADAARO C1CC(C2CC2)CC[NH2+]1 39095785 166083848 /nfs/dbraw/zinc/08/38/48/166083848.db2.gz NCNVPWCTEBODPS-UHFFFAOYSA-N 1 0 125.215 1.396 50 0 in-vitro ADAARO C1CC(=[N+]2CCCC2)[C@H]2CC[C@@H](C1)O2 71785562 166083890 /nfs/dbraw/zinc/08/38/90/166083890.db2.gz OGZUAJUBIOCFOK-ZYHUDNBSSA-N 1 0 194.298 1.965 50 0 ADAARO C1CC(=C2CC[NH2+]CC2)C1 47843903 166084173 /nfs/dbraw/zinc/08/41/73/166084173.db2.gz GMNQAVMCCFHMMD-UHFFFAOYSA-N 1 0 137.226 1.850 50 0 in-vitro ADAARO C1CC(COC2CC[NH2+]CC2)C1 42783051 166084193 /nfs/dbraw/zinc/08/41/93/166084193.db2.gz ROLHXRDTERANGQ-UHFFFAOYSA-N 1 0 169.268 1.555 50 0 ADAARO C1CC(C2C[NH2+]C2)C1 95835380 166084218 /nfs/dbraw/zinc/08/42/18/166084218.db2.gz HRTVOKBHNYKMOC-UHFFFAOYSA-N 1 0 111.188 1.006 50 0 in-vitro ADAARO C1CC(C[C@H]2COCC[NH2+]2)C1 238854961 166084256 /nfs/dbraw/zinc/08/42/56/166084256.db2.gz PWWROMHJUXFNFT-VIFPVBQESA-N 1 0 155.241 1.165 50 0 ADAARO C1CC([NH2+]C2CC2)C1 40447849 166084324 /nfs/dbraw/zinc/08/43/24/166084324.db2.gz DJLMNGVZYQJHPJ-UHFFFAOYSA-N 1 0 111.188 1.291 50 0 ADAARO C1CC([NH2+]C2CCC2)C1 36533644 166084345 /nfs/dbraw/zinc/08/43/45/166084345.db2.gz NSNOXLZAKBVTDW-UHFFFAOYSA-N 1 0 125.215 1.681 50 0 in-vitro ADAARO C1CC(COC[C@@H]2CCC[NH2+]C2)C1 42783052 166084435 /nfs/dbraw/zinc/08/44/35/166084435.db2.gz ZIFBIYIDTHNZEE-LLVKDONJSA-N 1 0 183.295 1.803 50 0 ADAARO C1CC(OCC2CC2)CC[NH2+]1 12137813 166084879 /nfs/dbraw/zinc/08/48/79/166084879.db2.gz IUAHQKOAIKIXFW-UHFFFAOYSA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO C1CC(O[C@@H]2CCC[NH2+]C2)C1 50520583 166084938 /nfs/dbraw/zinc/08/49/38/166084938.db2.gz RRFVKQKMIXFRNL-SECBINFHSA-N 1 0 155.241 1.308 50 0 ADAARO C1CC([C@H]2C[NH2+]CCOC2)C1 238850647 166085030 /nfs/dbraw/zinc/08/50/30/166085030.db2.gz CHASZGCGFIWUIC-VIFPVBQESA-N 1 0 155.241 1.023 50 0 in-vitro ADAARO C1CC1C[NH2+]CC1CC1 34516521 166085069 /nfs/dbraw/zinc/08/50/69/166085069.db2.gz ZAHWCHOEOKIPLN-UHFFFAOYSA-N 1 0 125.215 1.396 50 0 in-vitro ADAARO C1CC(c2nnc(C3CC3)o2)CC[NH2+]1 19780343 166085077 /nfs/dbraw/zinc/08/50/77/166085077.db2.gz LTIDKFOVOHXIJW-UHFFFAOYSA-N 1 0 193.250 1.414 50 0 in-vitro ADAARO C1CC2CCC(CC2)[NH2+]1 1697445 166085093 /nfs/dbraw/zinc/08/50/93/166085093.db2.gz NGERQMAWGVKQNJ-UHFFFAOYSA-N 1 0 125.215 1.539 50 0 ADAARO C1CC([C@H]2CCC[NH2+]2)C1 3732437 166085101 /nfs/dbraw/zinc/08/51/01/166085101.db2.gz LOYAIHRKONEJEX-MRVPVSSYSA-N 1 0 125.215 1.539 50 0 in-vitro ADAARO C1CC2CCC1C[NH2+]2 2040895 166085105 /nfs/dbraw/zinc/08/51/05/166085105.db2.gz KPUSZZFAYGWAHZ-UHFFFAOYSA-N 1 0 111.188 1.148 50 0 in-vitro ADAARO C1CC(O[C@H]2CCC[NH2+]C2)C1 50520584 166085170 /nfs/dbraw/zinc/08/51/70/166085170.db2.gz RRFVKQKMIXFRNL-VIFPVBQESA-N 1 0 155.241 1.308 50 0 ADAARO C1CC1C[NH2+]C1CC1 36947968 166085174 /nfs/dbraw/zinc/08/51/74/166085174.db2.gz XYPQMTYUTVPOPL-UHFFFAOYSA-N 1 0 111.188 1.148 50 0 in-vitro ADAARO C1CC2CCC1[C@@H]1C[NH2+]C[C@H]21 67425211 166085192 /nfs/dbraw/zinc/08/51/92/166085192.db2.gz WRVOPOWJCLQYKA-OXYCZDQYSA-N 1 0 151.253 1.642 50 0 ADAARO C1CC(c2noc(C3CC3)n2)CC[NH2+]1 41206240 166085195 /nfs/dbraw/zinc/08/51/95/166085195.db2.gz OMCIDBNYECEESZ-UHFFFAOYSA-N 1 0 193.250 1.414 50 0 in-vitro ADAARO C1CC(c2nc(C3CC3)no2)CC[NH2+]1 19997615 166085238 /nfs/dbraw/zinc/08/52/38/166085238.db2.gz YHECXJALZCUWMF-UHFFFAOYSA-N 1 0 193.250 1.414 50 0 in-vitro ADAARO C1CC(c2nnc(C3CC3)[nH]2)CC[NH2+]1 41058743 166085257 /nfs/dbraw/zinc/08/52/57/166085257.db2.gz VUSGWKQMYKIPCN-UHFFFAOYSA-N 1 0 192.266 1.149 50 0 in-vitro ADAARO C1CC1[C@@H]1C[NH2+][C@@H]1C1CC1 238852653 166085343 /nfs/dbraw/zinc/08/53/43/166085343.db2.gz GXXBKVKRUVLOFW-DTWKUNHWSA-N 1 0 137.226 1.394 50 0 ADAARO C1CC2(C1)C[NH2+][C@H]2C1CC1 238855440 166085352 /nfs/dbraw/zinc/08/53/52/166085352.db2.gz RTYXDENOFYQFEV-QMMMGPOBSA-N 1 0 137.226 1.539 50 0 in-vitro ADAARO C1CC([C@@H]2C[NH2+]CCOC2)C1 238850646 166085370 /nfs/dbraw/zinc/08/53/70/166085370.db2.gz CHASZGCGFIWUIC-SECBINFHSA-N 1 0 155.241 1.023 50 0 in-vitro ADAARO C1CC2(CC[NH2+]1)CCOCC2 32629200 166085396 /nfs/dbraw/zinc/08/53/96/166085396.db2.gz NJGVTIXCHOYDJW-UHFFFAOYSA-N 1 0 155.241 1.167 50 0 in-vitro ADAARO C1CC2(C[NH2+]1)SCCS2 15042700 166085569 /nfs/dbraw/zinc/08/55/69/166085569.db2.gz RSZGQXYMUGKTME-UHFFFAOYSA-N 1 0 161.295 1.156 50 0 in-vitro ADAARO C1CC([C@H]2CSCC[NH2+]2)C1 258466868 166085631 /nfs/dbraw/zinc/08/56/31/166085631.db2.gz HSGUAKRNPCWPOZ-MRVPVSSYSA-N 1 0 157.282 1.492 50 0 ADAARO C1CC2(C[C@]3(C1)CC[NH2+]C3)OCCO2 238099260 166085804 /nfs/dbraw/zinc/08/58/04/166085804.db2.gz WMNHMGRNIKAVRI-JTQLQIEISA-N 1 0 197.278 1.283 50 0 ADAARO C1CC([C@H]2CC[NH2+]C2)C1 88117593 166085816 /nfs/dbraw/zinc/08/58/16/166085816.db2.gz DSLUAYIIWZYURE-QMMMGPOBSA-N 1 0 125.215 1.396 50 0 ADAARO C1CC([C@@H]2CSCC[NH2+]2)C1 258466872 166085853 /nfs/dbraw/zinc/08/58/53/166085853.db2.gz HSGUAKRNPCWPOZ-QMMMGPOBSA-N 1 0 157.282 1.492 50 0 ADAARO C1CC2(CCS1)C[NH2+]C2 95644272 166085866 /nfs/dbraw/zinc/08/58/66/166085866.db2.gz FGITVYSAKWMASC-UHFFFAOYSA-N 1 0 143.255 1.103 50 0 in-vitro ADAARO C1CC([C@H]2CCOC2)CC[NH2+]1 62951057 166085876 /nfs/dbraw/zinc/08/58/76/166085876.db2.gz OHRJLFFWUSVBAV-VIFPVBQESA-N 1 0 155.241 1.023 50 0 in-vitro ADAARO C1CC2(CCO1)C[NH2+][C@@H]2C1CC1 238855257 166085897 /nfs/dbraw/zinc/08/58/97/166085897.db2.gz RAXHZYMUQQRXCJ-SECBINFHSA-N 1 0 167.252 1.165 50 0 ADAARO C1CC1[C@@H]1[NH2+]C[C@H]1C1CC1 238852654 166085898 /nfs/dbraw/zinc/08/58/98/166085898.db2.gz GXXBKVKRUVLOFW-IUCAKERBSA-N 1 0 137.226 1.394 50 0 ADAARO C1CC2(C1)CC[NH2+]CC2 59622489 166085915 /nfs/dbraw/zinc/08/59/15/166085915.db2.gz BSQKGAVROUDOTE-UHFFFAOYSA-N 1 0 125.215 1.540 50 0 in-vitro ADAARO C1CC2(CC[NH2+]1)CCSCC2 62951102 166085926 /nfs/dbraw/zinc/08/59/26/166085926.db2.gz INLKVAIJVNGWSW-UHFFFAOYSA-N 1 0 171.309 1.883 50 0 in-vitro ADAARO C1CC1[NH2+]C1CCN(C2CC2)CC1 73653359 166085984 /nfs/dbraw/zinc/08/59/84/166085984.db2.gz OUBAPROQQPGFQL-UHFFFAOYSA-N 1 0 180.295 1.365 50 0 ADAARO C1CC2(C1)CC[NH2+]C2 36532663 166086005 /nfs/dbraw/zinc/08/60/05/166086005.db2.gz NVZWMJWMTWOVNJ-UHFFFAOYSA-N 1 0 111.188 1.150 50 0 in-vitro ADAARO C1CC1[C@H]1C[NH2+][C@H]1C1CC1 238852652 166086010 /nfs/dbraw/zinc/08/60/10/166086010.db2.gz GXXBKVKRUVLOFW-BDAKNGLRSA-N 1 0 137.226 1.394 50 0 ADAARO C1CC2(CC[NH2+]1)CC2 20418012 166086023 /nfs/dbraw/zinc/08/60/23/166086023.db2.gz GIBPTWPJEVCTGR-UHFFFAOYSA-N 1 0 111.188 1.150 50 0 in-vitro ADAARO C1CC([C@@H]2CCOC2)CC[NH2+]1 62951056 166086040 /nfs/dbraw/zinc/08/60/40/166086040.db2.gz OHRJLFFWUSVBAV-SECBINFHSA-N 1 0 155.241 1.023 50 0 in-vitro ADAARO C1CC1[C@H]1C[NH2+][C@@H]1C1CC1 238852655 166086041 /nfs/dbraw/zinc/08/60/41/166086041.db2.gz GXXBKVKRUVLOFW-RKDXNWHRSA-N 1 0 137.226 1.394 50 0 ADAARO C1CC2(C[C@@]3(C1)CC[NH2+]C3)OCCO2 238099234 166086055 /nfs/dbraw/zinc/08/60/55/166086055.db2.gz WMNHMGRNIKAVRI-SNVBAGLBSA-N 1 0 197.278 1.283 50 0 ADAARO C1CC([C@@H]2CCC[NH2+]2)C1 3732438 166086062 /nfs/dbraw/zinc/08/60/62/166086062.db2.gz LOYAIHRKONEJEX-QMMMGPOBSA-N 1 0 125.215 1.539 50 0 in-vitro ADAARO C1CC2(CC[NH2+]1)CCSC2 62950980 166086071 /nfs/dbraw/zinc/08/60/71/166086071.db2.gz PALGWPAVZNIEOJ-UHFFFAOYSA-N 1 0 157.282 1.493 50 0 ADAARO C1CC1CC1C[NH2+]C1 51690860 166086144 /nfs/dbraw/zinc/08/61/44/166086144.db2.gz LIGXSKXJILSUJT-UHFFFAOYSA-N 1 0 111.188 1.006 50 0 ADAARO C1CC2(CCO1)C[NH2+][C@H]2C1CC1 238855258 166086168 /nfs/dbraw/zinc/08/61/68/166086168.db2.gz RAXHZYMUQQRXCJ-VIFPVBQESA-N 1 0 167.252 1.165 50 0 ADAARO C1CC([C@@H]2CC[NH2+]C2)C1 88117592 166086209 /nfs/dbraw/zinc/08/62/09/166086209.db2.gz DSLUAYIIWZYURE-MRVPVSSYSA-N 1 0 125.215 1.396 50 0 ADAARO C1CC2CCC1C[NH2+]C2 1718834 166086237 /nfs/dbraw/zinc/08/62/37/166086237.db2.gz LICHZOBEUWVYSY-UHFFFAOYSA-N 1 0 125.215 1.396 50 0 ADAARO C1CC2CCCC(C1)[NH2+]2 5413224 166086321 /nfs/dbraw/zinc/08/63/21/166086321.db2.gz ATPGYYPVVKZFGR-UHFFFAOYSA-N 1 0 125.215 1.681 50 0 in-vitro ADAARO C1CC2(C1)C[NH2+][C@@H]2C1CC1 238855439 166086370 /nfs/dbraw/zinc/08/63/70/166086370.db2.gz RTYXDENOFYQFEV-MRVPVSSYSA-N 1 0 137.226 1.539 50 0 in-vitro ADAARO C1CC2(C1)CC[NH2+]CCS2 306640452 166086416 /nfs/dbraw/zinc/08/64/16/166086416.db2.gz PQCGWMLTPIYQFW-UHFFFAOYSA-N 1 0 157.282 1.636 50 0 ADAARO C1CC(OC2CC[NH2+]CC2)C1 50520592 166086451 /nfs/dbraw/zinc/08/64/51/166086451.db2.gz ROUKMOFCAFBPAT-UHFFFAOYSA-N 1 0 155.241 1.308 50 0 in-vitro ADAARO C1CCC(COC2CC[NH2+]CC2)C1 48733093 166086746 /nfs/dbraw/zinc/08/67/46/166086746.db2.gz FVDACKFOQJSIMS-UHFFFAOYSA-N 1 0 183.295 1.945 50 0 ADAARO C1CCC([NH2+]C[C@@H]2CCOC2)CC1 19879155 166086922 /nfs/dbraw/zinc/08/69/22/166086922.db2.gz QORNBWINITXWJJ-JTQLQIEISA-N 1 0 183.295 1.945 50 0 ADAARO C1CCC(C[NH+]2CCNCC2)CC1 19513937 166086948 /nfs/dbraw/zinc/08/69/48/166086948.db2.gz LRPGNFROBDUREU-UHFFFAOYSA-N 1 0 182.311 1.472 50 0 ADAARO C1CCC(C2C[NH2+]C2)C1 98210182 166086975 /nfs/dbraw/zinc/08/69/75/166086975.db2.gz AURYAPPGLZZDDD-UHFFFAOYSA-N 1 0 125.215 1.396 50 0 in-vitro ADAARO C1CCC(C[NH+]2CCNCC2)C1 19823283 166086982 /nfs/dbraw/zinc/08/69/82/166086982.db2.gz HDSJFNAPZZCQAT-UHFFFAOYSA-N 1 0 168.284 1.082 50 0 in-vitro ADAARO C1CCC([NH+]2CCOCC2)CC1 56958888 166086995 /nfs/dbraw/zinc/08/69/95/166086995.db2.gz BRKHZWFIIVVNTA-UHFFFAOYSA-N 1 0 169.268 1.651 50 0 ADAARO C1CCC(CO[C@@H]2CC[NH2+]C2)CC1 14631992 166087006 /nfs/dbraw/zinc/08/70/06/166087006.db2.gz UEKQVEAUVRODND-LLVKDONJSA-N 1 0 183.295 1.945 50 0 ADAARO C1CCC([N@@H+]2CCCNCC2)CC1 32445479 166087013 /nfs/dbraw/zinc/08/70/13/166087013.db2.gz YZRJEERFPFFTLP-UHFFFAOYSA-N 1 0 182.311 1.614 50 0 in-vitro ADAARO C1CCC(CCN2CC[NH2+]CC2)CC1 22026806 166087053 /nfs/dbraw/zinc/08/70/53/166087053.db2.gz GMQBFYMARPSPAF-UHFFFAOYSA-N 1 0 196.338 1.862 50 0 ADAARO C1CCC(C[C@@H]2C[NH2+]CCO2)C1 40449293 166087091 /nfs/dbraw/zinc/08/70/91/166087091.db2.gz BOEUXRWLEFKXKV-SNVBAGLBSA-N 1 0 169.268 1.555 50 0 ADAARO C1CCC(CO[C@H]2CC[NH2+]C2)C1 14631991 166087122 /nfs/dbraw/zinc/08/71/22/166087122.db2.gz OWNQCZAHTUTURK-JTQLQIEISA-N 1 0 169.268 1.555 50 0 in-vitro ADAARO C1CCC([N@@H+]2CCCNCC2)C1 23093606 166087142 /nfs/dbraw/zinc/08/71/42/166087142.db2.gz DPTJLUGTAUOTFU-UHFFFAOYSA-N 1 0 168.284 1.224 50 0 in-vitro ADAARO C1CCC(CCOC2C[NH2+]C2)CC1 42769726 166087154 /nfs/dbraw/zinc/08/71/54/166087154.db2.gz GWJNIZTXBCLCQH-UHFFFAOYSA-N 1 0 183.295 1.945 50 0 ADAARO C1CCC(CO[C@@H]2CC[NH2+]C2)C1 14631989 166087190 /nfs/dbraw/zinc/08/71/90/166087190.db2.gz OWNQCZAHTUTURK-SNVBAGLBSA-N 1 0 169.268 1.555 50 0 in-vitro ADAARO C1CCC([NH2+]C[C@H]2CCOC2)CC1 19879157 166087202 /nfs/dbraw/zinc/08/72/02/166087202.db2.gz QORNBWINITXWJJ-SNVBAGLBSA-N 1 0 183.295 1.945 50 0 ADAARO C1CCC([NH+]2CCNCC2)CC1 19363539 166087215 /nfs/dbraw/zinc/08/72/15/166087215.db2.gz XPDSXKIDJNKIQY-UHFFFAOYSA-N 1 0 168.284 1.224 50 0 in-vitro ADAARO C1CCC(C2C[NH2+]C2)CC1 23890689 166087264 /nfs/dbraw/zinc/08/72/64/166087264.db2.gz MTKFRSYJQSSPBJ-UHFFFAOYSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO C1CCC([NH2+][C@@H]2CCOC2)CC1 70962375 166087286 /nfs/dbraw/zinc/08/72/86/166087286.db2.gz QCAZUZOEUXPHHG-SNVBAGLBSA-N 1 0 169.268 1.698 50 0 ADAARO C1CCC(CO[C@H]2CC[NH2+]C2)CC1 14631994 166087326 /nfs/dbraw/zinc/08/73/26/166087326.db2.gz UEKQVEAUVRODND-NSHDSACASA-N 1 0 183.295 1.945 50 0 ADAARO C1CCC([NH2+]C2CCOCC2)C1 20160343 166087334 /nfs/dbraw/zinc/08/73/34/166087334.db2.gz WMYKXXNRUBPYBL-UHFFFAOYSA-N 1 0 169.268 1.698 50 0 ADAARO C1CCC(C[N@@H+]2CCCNCC2)CC1 19485665 166087339 /nfs/dbraw/zinc/08/73/39/166087339.db2.gz MBOYHABMLRNQHS-UHFFFAOYSA-N 1 0 196.338 1.862 50 0 ADAARO C1CCC(C[C@H]2C[NH2+]CCO2)C1 40449295 166087721 /nfs/dbraw/zinc/08/77/21/166087721.db2.gz BOEUXRWLEFKXKV-JTQLQIEISA-N 1 0 169.268 1.555 50 0 ADAARO C1CCC(NC2=[NH+]CCOC2)CC1 26442098 166087795 /nfs/dbraw/zinc/08/77/95/166087795.db2.gz SHQXHLAUBPVTCQ-UHFFFAOYSA-N 1 0 182.267 1.337 50 0 ADAARO C1CCC(CCCN2CC[NH2+]CC2)C1 19850298 166087923 /nfs/dbraw/zinc/08/79/23/166087923.db2.gz IGNHQGIPGGJAAC-UHFFFAOYSA-N 1 0 196.338 1.862 50 0 ADAARO C1CCC([NH+]2CCOCC2)C1 15922166 166087949 /nfs/dbraw/zinc/08/79/49/166087949.db2.gz WQSGOPRYLPXKNG-UHFFFAOYSA-N 1 0 155.241 1.261 50 0 ADAARO C1CCC(C[C@@H]2C[NH2+]CCO2)CC1 40449289 166087960 /nfs/dbraw/zinc/08/79/60/166087960.db2.gz BXLBFBYACGPOLN-LLVKDONJSA-N 1 0 183.295 1.945 50 0 ADAARO C1CCC(OC2CC[NH2+]CC2)C1 19506976 166088095 /nfs/dbraw/zinc/08/80/95/166088095.db2.gz WXCOOOOLRWUYPY-UHFFFAOYSA-N 1 0 169.268 1.698 50 0 in-vitro ADAARO C1CCC(OCC2CC[NH2+]CC2)C1 19474188 166088266 /nfs/dbraw/zinc/08/82/66/166088266.db2.gz AQMWDUDAVFZASO-UHFFFAOYSA-N 1 0 183.295 1.945 50 0 in-vitro ADAARO C1CCC(C[C@H]2C[NH2+]CCO2)CC1 40449291 166088378 /nfs/dbraw/zinc/08/83/78/166088378.db2.gz BXLBFBYACGPOLN-NSHDSACASA-N 1 0 183.295 1.945 50 0 ADAARO C1CCC([NH2+]C2CC2)C1 20282045 166088477 /nfs/dbraw/zinc/08/84/77/166088477.db2.gz LJLXEGAYCJQFGB-UHFFFAOYSA-N 1 0 125.215 1.681 50 0 ADAARO C1CCC(C[NH+]2CCOCC2)CC1 12343500 166088565 /nfs/dbraw/zinc/08/85/65/166088565.db2.gz KFBXVBQQAUQWAY-UHFFFAOYSA-N 1 0 183.295 1.899 50 0 in-vitro ADAARO C1CCC([NH2+]C[C@@H]2CCCO2)C1 810245 166088612 /nfs/dbraw/zinc/08/86/12/166088612.db2.gz XXTCWRMGHVKQCR-JTQLQIEISA-N 1 0 169.268 1.698 50 0 in-vitro ADAARO C1CCC([NH2+]C[C@H]2CCCO2)C1 810244 166088646 /nfs/dbraw/zinc/08/86/46/166088646.db2.gz XXTCWRMGHVKQCR-SNVBAGLBSA-N 1 0 169.268 1.698 50 0 in-vitro ADAARO C1CCC([C@H]2C[NH2+]CCO2)CC1 82035891 166088830 /nfs/dbraw/zinc/08/88/30/166088830.db2.gz IAFOGVJLXWOPBE-SNVBAGLBSA-N 1 0 169.268 1.555 50 0 in-vitro ADAARO C1CCCN([C@@H]2CCC[NH2+]C2)CC1 37246851 166088847 /nfs/dbraw/zinc/08/88/47/166088847.db2.gz AHEPPPZEXARNCA-LLVKDONJSA-N 1 0 182.311 1.614 50 0 ADAARO C1CCCC[NH2+]CCC1 1620991 166088884 /nfs/dbraw/zinc/08/88/84/166088884.db2.gz NRHDCQLCSOWVTF-UHFFFAOYSA-N 1 0 127.231 1.930 50 0 in-vitro ADAARO C1CCC2(CCOCC2)[NH2+]C1 82406553 166088907 /nfs/dbraw/zinc/08/89/07/166088907.db2.gz HNYYNSTWKWZXAG-UHFFFAOYSA-N 1 0 155.241 1.309 50 0 ADAARO C1CCC([C@@H]2COCC[NH2+]2)CC1 71496463 166088939 /nfs/dbraw/zinc/08/89/39/166088939.db2.gz WXMKKAIUIVUTTQ-JTQLQIEISA-N 1 0 169.268 1.555 50 0 ADAARO C1CCC([C@H]2COCC[NH2+]2)C1 79139052 166088980 /nfs/dbraw/zinc/08/89/80/166088980.db2.gz LCNIPQHLQXYZGV-SECBINFHSA-N 1 0 155.241 1.165 50 0 ADAARO C1CCC2=[NH+]CCCN2CC1 100003036 166089087 /nfs/dbraw/zinc/08/90/87/166089087.db2.gz GQHTUMJGOHRCHB-UHFFFAOYSA-N 1 0 152.241 1.665 50 0 in-vitro ADAARO C1CCC([C@H]2COCC[NH2+]2)CC1 71496464 166089095 /nfs/dbraw/zinc/08/90/95/166089095.db2.gz WXMKKAIUIVUTTQ-SNVBAGLBSA-N 1 0 169.268 1.555 50 0 ADAARO C1CCCN(C[C@@H]2CCC[NH2+]2)CC1 39141032 166089100 /nfs/dbraw/zinc/08/91/00/166089100.db2.gz GVAJTFQLOLODFH-NSHDSACASA-N 1 0 182.311 1.614 50 0 in-vitro ADAARO C1CCC2(CC1)C[NH2+]C2 20380897 166089128 /nfs/dbraw/zinc/08/91/28/166089128.db2.gz IBODJKKYTBNWTD-UHFFFAOYSA-N 1 0 125.215 1.540 50 0 in-vitro ADAARO C1CCC([C@@H]2CC[NH2+]2)CC1 23890825 166089176 /nfs/dbraw/zinc/08/91/76/166089176.db2.gz ZJCADVWPGSPQGU-VIFPVBQESA-N 1 0 139.242 1.929 50 0 ADAARO C1CCC([C@@H]2CCC[NH2+]2)C1 2582592 166089246 /nfs/dbraw/zinc/08/92/46/166089246.db2.gz WXQFEZGWHIDPIP-VIFPVBQESA-N 1 0 139.242 1.929 50 0 in-vitro ADAARO C1CCC([C@H]2CCC[NH2+]2)C1 3732279 166089390 /nfs/dbraw/zinc/08/93/90/166089390.db2.gz WXQFEZGWHIDPIP-SECBINFHSA-N 1 0 139.242 1.929 50 0 in-vitro ADAARO C1CCC2(C1)C[NH2+]C2 20368934 166089529 /nfs/dbraw/zinc/08/95/29/166089529.db2.gz PSNDWZOXFDKLLH-UHFFFAOYSA-N 1 0 111.188 1.150 50 0 in-vitro ADAARO C1CCC2(CC1)CC[NH2+]2 40449032 166089556 /nfs/dbraw/zinc/08/95/56/166089556.db2.gz XSVCZOLYJIKPPH-UHFFFAOYSA-N 1 0 125.215 1.683 50 0 in-vitro ADAARO C1CCCC2(CC1)C[NH2+]CCO2 50503426 166089598 /nfs/dbraw/zinc/08/95/98/166089598.db2.gz YCEZDVSPKFOQAX-UHFFFAOYSA-N 1 0 169.268 1.699 50 0 ADAARO C1CCC2(C1)CC[NH2+]CC2 1601226 166089608 /nfs/dbraw/zinc/08/96/08/166089608.db2.gz AXMNGEUJXLXFRY-UHFFFAOYSA-N 1 0 139.242 1.930 50 0 in-vitro ADAARO C1CCC2=C(C1)CC[NH2+]C2 24191612 166089625 /nfs/dbraw/zinc/08/96/25/166089625.db2.gz YBYCJQQRZPXLHU-UHFFFAOYSA-N 1 0 137.226 1.850 50 0 ADAARO C1CCC([C@H]2CC[NH2+]2)CC1 23890827 166089632 /nfs/dbraw/zinc/08/96/32/166089632.db2.gz ZJCADVWPGSPQGU-SECBINFHSA-N 1 0 139.242 1.929 50 0 ADAARO C1CCCN([C@@H]2CC[NH2+]C2)CC1 42783305 166089650 /nfs/dbraw/zinc/08/96/50/166089650.db2.gz KLVOUNWQFNLFSY-SNVBAGLBSA-N 1 0 168.284 1.224 50 0 ADAARO C1CCC2(CC2)[NH2+]C1 19091593 166089660 /nfs/dbraw/zinc/08/96/60/166089660.db2.gz HVFHYYCWZWCTMW-UHFFFAOYSA-N 1 0 111.188 1.293 50 0 in-vitro ADAARO C1CCC([C@H]2C[NH2+]CCO2)C1 78454202 166089686 /nfs/dbraw/zinc/08/96/86/166089686.db2.gz GWJFRMLLYKFVHM-SECBINFHSA-N 1 0 155.241 1.165 50 0 ADAARO C1CCC([C@@H]2COCC[NH2+]2)C1 79139049 166089710 /nfs/dbraw/zinc/08/97/10/166089710.db2.gz LCNIPQHLQXYZGV-VIFPVBQESA-N 1 0 155.241 1.165 50 0 ADAARO C1CCC2(CC1)[NH2+]CCS2 34238697 166089725 /nfs/dbraw/zinc/08/97/25/166089725.db2.gz DEFXLTDEFZBBPO-UHFFFAOYSA-N 1 0 157.282 1.983 50 0 in-vitro ADAARO C1CCC([C@@H]2C[NH2+]CCO2)CC1 82035890 166089750 /nfs/dbraw/zinc/08/97/50/166089750.db2.gz IAFOGVJLXWOPBE-JTQLQIEISA-N 1 0 169.268 1.555 50 0 in-vitro ADAARO C1CCC([C@@H]2C[NH2+]CCO2)C1 78454199 166089809 /nfs/dbraw/zinc/08/98/09/166089809.db2.gz GWJFRMLLYKFVHM-VIFPVBQESA-N 1 0 155.241 1.165 50 0 ADAARO C1CCC2(C1)CC[NH2+]C2 1699660 166089812 /nfs/dbraw/zinc/08/98/12/166089812.db2.gz NINJAJLCZUYDGV-UHFFFAOYSA-N 1 0 125.215 1.540 50 0 in-vitro ADAARO C1CCC2(CC1)[NH2+]CCO2 4092966 166089866 /nfs/dbraw/zinc/08/98/66/166089866.db2.gz NCYYKVXOKJPSRU-UHFFFAOYSA-N 1 0 141.214 1.267 50 0 ADAARO C1CCCN(CC[NH2+]CC2CC2)CC1 37478488 166089873 /nfs/dbraw/zinc/08/98/73/166089873.db2.gz XYRRTGIJWDFMHY-UHFFFAOYSA-N 1 0 196.338 1.862 50 0 ADAARO C1CCC2(C1)CC[NH2+]2 40449033 166089964 /nfs/dbraw/zinc/08/99/64/166089964.db2.gz DFAKAYKNPJMQSX-UHFFFAOYSA-N 1 0 111.188 1.293 50 0 in-vitro ADAARO C1CCC2(C1)CCC[NH2+]C2 20417370 166089983 /nfs/dbraw/zinc/08/99/83/166089983.db2.gz JFNPSSKPSOKMJH-UHFFFAOYSA-N 1 0 139.242 1.930 50 0 in-vitro ADAARO C1CCC2(CC1)CC[NH2+]C2 1698146 166090075 /nfs/dbraw/zinc/09/00/75/166090075.db2.gz SFCOKGCNIPSUQF-UHFFFAOYSA-N 1 0 139.242 1.930 50 0 in-vitro ADAARO C1CCC[NH+](CCN2CCCC2)CC1 41207425 166090117 /nfs/dbraw/zinc/09/01/17/166090117.db2.gz XTFLNVGPTUIDNP-UHFFFAOYSA-N 1 0 196.338 1.958 50 0 ADAARO C1CCCN(C[C@H]2CCC[NH2+]2)CC1 39141035 166090173 /nfs/dbraw/zinc/09/01/73/166090173.db2.gz GVAJTFQLOLODFH-LLVKDONJSA-N 1 0 182.311 1.614 50 0 in-vitro ADAARO C1CCC2(CC[NH2+]CC2)OC1 48056612 166090179 /nfs/dbraw/zinc/09/01/79/166090179.db2.gz XYKVTIPFANKIPK-UHFFFAOYSA-N 1 0 155.241 1.309 50 0 ADAARO C1CCCC([NH+]2CCNCC2)CC1 19735216 166090194 /nfs/dbraw/zinc/09/01/94/166090194.db2.gz CHSINHUYLALJPT-UHFFFAOYSA-N 1 0 182.311 1.614 50 0 in-vitro ADAARO C1CCC2(C1)CCC[NH2+]2 71494492 166090198 /nfs/dbraw/zinc/09/01/98/166090198.db2.gz FJGFHPNQSDXCFC-UHFFFAOYSA-N 1 0 125.215 1.683 50 0 in-vitro ADAARO C1CCC2(CCCC[NH2+]C2)C[NH2+]C1 72194308 166090336 /nfs/dbraw/zinc/09/03/36/166090336.db2.gz PESLBZUTQIHECZ-UHFFFAOYSA-N 1 0 182.311 1.520 50 0 ADAARO C1CCC2(CCC2)[NH2+]C1 39095795 166090417 /nfs/dbraw/zinc/09/04/17/166090417.db2.gz JEBNHAMFJMYJJM-UHFFFAOYSA-N 1 0 125.215 1.683 50 0 in-vitro ADAARO C1CCC2(C1)C[NH2+]CCOC2 95883833 166090423 /nfs/dbraw/zinc/09/04/23/166090423.db2.gz FCXWAWABZBPTQH-UHFFFAOYSA-N 1 0 155.241 1.167 50 0 in-vitro ADAARO C1CC[NH2+][C@H](CN2CCCC2)CC1 39706226 166090607 /nfs/dbraw/zinc/09/06/07/166090607.db2.gz YEXUCOYOBRVUEU-NSHDSACASA-N 1 0 182.311 1.614 50 0 in-vitro ADAARO C1CCN([C@H]2CCC[NH2+]C2)CC1 87876316 166090809 /nfs/dbraw/zinc/09/08/09/166090809.db2.gz RWAWMKWJDOUNKY-JTQLQIEISA-N 1 0 168.284 1.224 50 0 in-vitro ADAARO C1CC[NH2+][C@@H](CN2CCCC2)CC1 39706225 166091003 /nfs/dbraw/zinc/09/10/03/166091003.db2.gz YEXUCOYOBRVUEU-LLVKDONJSA-N 1 0 182.311 1.614 50 0 in-vitro ADAARO C1CCN(C[C@H]2CCC[NH2+]2)CC1 39141169 166091102 /nfs/dbraw/zinc/09/11/02/166091102.db2.gz MYIDBVVEYLMRSS-SNVBAGLBSA-N 1 0 168.284 1.224 50 0 in-vitro ADAARO C1CCC[C@@H]2C[NH2+][C@H]2CC1 24192148 166091107 /nfs/dbraw/zinc/09/11/07/166091107.db2.gz LWKCFWMJXFWVDW-BDAKNGLRSA-N 1 0 139.242 1.929 50 0 in-vitro ADAARO C1CC[C@@H](C2CCC2)[NH2+]C1 3734764 166091128 /nfs/dbraw/zinc/09/11/28/166091128.db2.gz TTWXQGZANCNAFO-VIFPVBQESA-N 1 0 139.242 1.929 50 0 in-vitro ADAARO C1CCN(C[NH+]2CCCCC2)CC1 19318964 166091129 /nfs/dbraw/zinc/09/11/29/166091129.db2.gz LRKYLKBLUJXTFL-UHFFFAOYSA-N 1 0 182.311 1.916 50 0 ADAARO C1CCC[C@H]2[NH2+]C[C@H]2CC1 24192150 166091188 /nfs/dbraw/zinc/09/11/88/166091188.db2.gz LWKCFWMJXFWVDW-RKDXNWHRSA-N 1 0 139.242 1.929 50 0 in-vitro ADAARO C1CCC[NH2+]CCC1 3643847 166091540 /nfs/dbraw/zinc/09/15/40/166091540.db2.gz QXNDZONIWRINJR-UHFFFAOYSA-N 1 0 113.204 1.540 50 0 in-vitro ADAARO C1CCCN([C@H]2CC[NH2+]C2)CC1 42783306 166091578 /nfs/dbraw/zinc/09/15/78/166091578.db2.gz KLVOUNWQFNLFSY-JTQLQIEISA-N 1 0 168.284 1.224 50 0 ADAARO C1CC[C@@H](CN2CCCC2)[NH2+]C1 32445492 166091625 /nfs/dbraw/zinc/09/16/25/166091625.db2.gz GJJCBYJAVZCDCB-JTQLQIEISA-N 1 0 168.284 1.224 50 0 in-vitro ADAARO C1CCN2CCC[NH+]=C2C1 24186658 166091724 /nfs/dbraw/zinc/09/17/24/166091724.db2.gz NPFWMKHDSNBLHS-UHFFFAOYSA-N 1 0 138.214 1.275 50 0 ADAARO C1CCC[NH2+]CC1 3636476 166091757 /nfs/dbraw/zinc/09/17/57/166091757.db2.gz ZSIQJIWKELUFRJ-UHFFFAOYSA-N 1 0 99.177 1.150 50 0 in-vitro ADAARO C1CC[N@@H+]2CCC[C@H]2C1 2019562 166091834 /nfs/dbraw/zinc/09/18/34/166091834.db2.gz HAJKHJOABGFIGP-MRVPVSSYSA-N 1 0 125.215 1.635 50 0 in-vitro ADAARO C1CC[C@@H](C2CC2)[NH2+]C1 39095777 166091855 /nfs/dbraw/zinc/09/18/55/166091855.db2.gz CQVRBIDPWYUYCC-QMMMGPOBSA-N 1 0 125.215 1.539 50 0 ADAARO C1CCN(CC[NH+]2CCCCC2)CC1 19366243 166092040 /nfs/dbraw/zinc/09/20/40/166092040.db2.gz UYMQPNRUQXPLCY-UHFFFAOYSA-N 1 0 196.338 1.958 50 0 ADAARO C1CC[NH+]=C(NC[C@@H]2CCCO2)CC1 7141350 166092041 /nfs/dbraw/zinc/09/20/41/166092041.db2.gz BNJMXTJXVPKIRY-JTQLQIEISA-N 1 0 196.294 1.728 50 0 ADAARO C1CC[C@@H]([C@@H]2CCCO2)[NH2+]C1 3734715 166092072 /nfs/dbraw/zinc/09/20/72/166092072.db2.gz PJAGHHVZXCREQH-IUCAKERBSA-N 1 0 155.241 1.308 50 0 in-vitro ADAARO C1CCN(C[C@H]2CCCC[NH2+]2)CC1 38193759 166092091 /nfs/dbraw/zinc/09/20/91/166092091.db2.gz QYKGBJGIKHJGFR-LLVKDONJSA-N 1 0 182.311 1.614 50 0 in-vitro ADAARO C1CC[C@@H](CCOCC2CC2)[NH2+]C1 42771518 166092188 /nfs/dbraw/zinc/09/21/88/166092188.db2.gz JMWDNSYTKYDXJQ-NSHDSACASA-N 1 0 183.295 1.945 50 0 in-vitro ADAARO C1CCN(C[C@@H]2CCC[NH2+]2)CC1 38202337 166092201 /nfs/dbraw/zinc/09/22/01/166092201.db2.gz MYIDBVVEYLMRSS-JTQLQIEISA-N 1 0 168.284 1.224 50 0 in-vitro ADAARO C1CCN([C@@H]2CCC[NH2+]C2)CC1 87876315 166092314 /nfs/dbraw/zinc/09/23/14/166092314.db2.gz RWAWMKWJDOUNKY-SNVBAGLBSA-N 1 0 168.284 1.224 50 0 in-vitro ADAARO C1CCCN([C@H]2CCC[NH2+]C2)CC1 37246854 166092327 /nfs/dbraw/zinc/09/23/27/166092327.db2.gz AHEPPPZEXARNCA-NSHDSACASA-N 1 0 182.311 1.614 50 0 ADAARO C1CC[C@@H](COC2CC[NH2+]CC2)OC1 19802122 166092774 /nfs/dbraw/zinc/09/27/74/166092774.db2.gz YHARXZQFMJHMJT-NSHDSACASA-N 1 0 199.294 1.324 50 0 in-vitro ADAARO C1CCN(C[C@@H]2CCCC[NH2+]2)CC1 38193760 166092799 /nfs/dbraw/zinc/09/27/99/166092799.db2.gz QYKGBJGIKHJGFR-NSHDSACASA-N 1 0 182.311 1.614 50 0 in-vitro ADAARO C1CCC[C@H]2[NH2+]C[C@@H]2CC1 24192146 166092894 /nfs/dbraw/zinc/09/28/94/166092894.db2.gz LWKCFWMJXFWVDW-DTWKUNHWSA-N 1 0 139.242 1.929 50 0 in-vitro ADAARO C1CC[C@@H](C[NH2+]C2CC2)OC1 35151071 166092897 /nfs/dbraw/zinc/09/28/97/166092897.db2.gz UOCBKPLZAXRJBZ-VIFPVBQESA-N 1 0 155.241 1.308 50 0 ADAARO C1CC[N@@H+]2CCC[C@@H]2C1 2019563 166092924 /nfs/dbraw/zinc/09/29/24/166092924.db2.gz HAJKHJOABGFIGP-QMMMGPOBSA-N 1 0 125.215 1.635 50 0 in-vitro ADAARO C1CC[C@H](C2CCC2)[NH2+]C1 3734763 166093178 /nfs/dbraw/zinc/09/31/78/166093178.db2.gz TTWXQGZANCNAFO-SECBINFHSA-N 1 0 139.242 1.929 50 0 in-vitro ADAARO C1CC[C@H]2C[NH2+][C@H]2CC1 57219299 166093181 /nfs/dbraw/zinc/09/31/81/166093181.db2.gz JJVUJYHRYYMVMK-YUMQZZPRSA-N 1 0 125.215 1.539 50 0 in-vitro ADAARO C1CC[C@@]2(CCCOC2)[NH2+]C1 82406554 166093268 /nfs/dbraw/zinc/09/32/68/166093268.db2.gz CKSQQLATXNPILX-VIFPVBQESA-N 1 0 155.241 1.309 50 0 ADAARO C1CC[C@@H]2C[NH2+]C[C@@H]2CC1 24513163 166093311 /nfs/dbraw/zinc/09/33/11/166093311.db2.gz CLGNZNKTKHGQJT-DTORHVGOSA-N 1 0 139.242 1.786 50 0 ADAARO C1CC[C@H]2C[NH2+]C[C@H]2C1 1622139 166093318 /nfs/dbraw/zinc/09/33/18/166093318.db2.gz ODSNARDHJFFSRH-OCAPTIKFSA-N 1 0 125.215 1.396 50 0 biogenic,in-vitro ADAARO C1CC[C@H](COC2CC[NH2+]CC2)OC1 19802125 166093322 /nfs/dbraw/zinc/09/33/22/166093322.db2.gz YHARXZQFMJHMJT-LLVKDONJSA-N 1 0 199.294 1.324 50 0 in-vitro ADAARO C1CC[C@H]2C[NH2+][C@@H]2CC1 57219296 166093325 /nfs/dbraw/zinc/09/33/25/166093325.db2.gz JJVUJYHRYYMVMK-JGVFFNPUSA-N 1 0 125.215 1.539 50 0 in-vitro ADAARO C1CC[C@H]2[NH2+]CCC[C@@H]2C1 1693264 166093353 /nfs/dbraw/zinc/09/33/53/166093353.db2.gz POTIYWUALSJREP-DTWKUNHWSA-N 1 0 139.242 1.929 50 0 in-vitro ADAARO C1CC[C@H]2[NH2+]CCS[C@H]2C1 70203084 166093387 /nfs/dbraw/zinc/09/33/87/166093387.db2.gz WBNHBYBUEYNWRX-SFYZADRCSA-N 1 0 157.282 1.634 50 0 in-vitro ADAARO C1CC[C@@H]2NCCC[N@H+]2CC1 19320247 166093511 /nfs/dbraw/zinc/09/35/11/166093511.db2.gz RWENYVRYDPMMRO-SECBINFHSA-N 1 0 154.257 1.182 50 0 ADAARO C1CC[C@@H]2C[NH2+][C@H]2C1 20596525 166093555 /nfs/dbraw/zinc/09/35/55/166093555.db2.gz OQDPEXFDRKDVPE-RQJHMYQMSA-N 1 0 111.188 1.148 50 0 ADAARO C1CC[C@@H]2C[C@@H]2[NH2+]C1 57219027 166093568 /nfs/dbraw/zinc/09/35/68/166093568.db2.gz NVMHSYWERCFZDK-RQJHMYQMSA-N 1 0 111.188 1.148 50 0 ADAARO C1CC[C@@H]2[NH2+]C[C@@H]2C1 20596523 166093635 /nfs/dbraw/zinc/09/36/35/166093635.db2.gz OQDPEXFDRKDVPE-BQBZGAKWSA-N 1 0 111.188 1.148 50 0 ADAARO C1CC[C@H]([C@H]2CCCO2)[NH2+]C1 2534022 166093674 /nfs/dbraw/zinc/09/36/74/166093674.db2.gz PJAGHHVZXCREQH-RKDXNWHRSA-N 1 0 155.241 1.308 50 0 in-vitro ADAARO C1CC[C@H]2[NH2+]CC[C@H]2C1 5133967 166093716 /nfs/dbraw/zinc/09/37/16/166093716.db2.gz PDELQDSYLBLPQO-HTQZYQBOSA-N 1 0 125.215 1.539 50 0 in-vitro ADAARO C1CC[C@H](CCOCC2CC2)[NH2+]C1 42771521 166093838 /nfs/dbraw/zinc/09/38/38/166093838.db2.gz JMWDNSYTKYDXJQ-LLVKDONJSA-N 1 0 183.295 1.945 50 0 in-vitro ADAARO C1CC[C@@H]2C[NH2+]C[C@H]2C1 1622141 166093847 /nfs/dbraw/zinc/09/38/47/166093847.db2.gz ODSNARDHJFFSRH-HTQZYQBOSA-N 1 0 125.215 1.396 50 0 biogenic,in-vitro ADAARO C1CC[C@@H]2C[NH2+]C[C@H]2CC1 24513169 166093894 /nfs/dbraw/zinc/09/38/94/166093894.db2.gz CLGNZNKTKHGQJT-RKDXNWHRSA-N 1 0 139.242 1.786 50 0 ADAARO C1CC[C@@H]2[NH2+]CCC[C@@H]2C1 1693266 166093924 /nfs/dbraw/zinc/09/39/24/166093924.db2.gz POTIYWUALSJREP-IUCAKERBSA-N 1 0 139.242 1.929 50 0 in-vitro ADAARO C1CC[C@@H]2C[NH2+][C@@H]2CC1 57219294 166093930 /nfs/dbraw/zinc/09/39/30/166093930.db2.gz JJVUJYHRYYMVMK-HTQZYQBOSA-N 1 0 125.215 1.539 50 0 in-vitro ADAARO C1CC[C@@H]2CC[NH2+][C@H]2C1 5134038 166093976 /nfs/dbraw/zinc/09/39/76/166093976.db2.gz PDELQDSYLBLPQO-SFYZADRCSA-N 1 0 125.215 1.539 50 0 ADAARO C1CCc2[nH]c([C@@H]3CCC[NH2+]3)nc2C1 49806791 166093994 /nfs/dbraw/zinc/09/39/94/166093994.db2.gz OMLFQIKPYLMTPN-JTQLQIEISA-N 1 0 191.278 1.713 50 0 in-vitro ADAARO C1CC[C@H]([C@@H]2CCCO2)[NH2+]C1 3734714 166094011 /nfs/dbraw/zinc/09/40/11/166094011.db2.gz PJAGHHVZXCREQH-BDAKNGLRSA-N 1 0 155.241 1.308 50 0 in-vitro ADAARO C1CC[C@@H]2C[NH2+]CO[C@H]2C1 39258460 166094014 /nfs/dbraw/zinc/09/40/14/166094014.db2.gz FUZGOPSYMYKTHO-SFYZADRCSA-N 1 0 141.214 1.123 50 0 ADAARO C1CC[C@@H]2SCC[NH2+][C@H]2C1 70203088 166094036 /nfs/dbraw/zinc/09/40/36/166094036.db2.gz WBNHBYBUEYNWRX-YUMQZZPRSA-N 1 0 157.282 1.634 50 0 in-vitro ADAARO C1CC[C@@H]([C@H]2CCCO2)[NH2+]C1 3734713 166094093 /nfs/dbraw/zinc/09/40/93/166094093.db2.gz PJAGHHVZXCREQH-DTWKUNHWSA-N 1 0 155.241 1.308 50 0 in-vitro ADAARO C1CC[C@H]2C[C@H]2[NH2+]C1 57219024 166094164 /nfs/dbraw/zinc/09/41/64/166094164.db2.gz NVMHSYWERCFZDK-NKWVEPMBSA-N 1 0 111.188 1.148 50 0 ADAARO C1CC[C@H](C2CC2)[NH2+]C1 39095779 166094182 /nfs/dbraw/zinc/09/41/82/166094182.db2.gz CQVRBIDPWYUYCC-MRVPVSSYSA-N 1 0 125.215 1.539 50 0 ADAARO C1CC[C@H](C[NH2+]C2CC2)OC1 35151072 166094189 /nfs/dbraw/zinc/09/41/89/166094189.db2.gz UOCBKPLZAXRJBZ-SECBINFHSA-N 1 0 155.241 1.308 50 0 ADAARO C1CC[C@H]2SCC[NH2+][C@H]2C1 70203086 166094199 /nfs/dbraw/zinc/09/41/99/166094199.db2.gz WBNHBYBUEYNWRX-JGVFFNPUSA-N 1 0 157.282 1.634 50 0 in-vitro ADAARO C1CC[C@H](CN2CCCC2)[NH2+]C1 32445493 166094210 /nfs/dbraw/zinc/09/42/10/166094210.db2.gz GJJCBYJAVZCDCB-SNVBAGLBSA-N 1 0 168.284 1.224 50 0 in-vitro ADAARO C1CCc2[nH]c([C@H]3CCC[NH2+]3)nc2C1 49806792 166094237 /nfs/dbraw/zinc/09/42/37/166094237.db2.gz OMLFQIKPYLMTPN-SNVBAGLBSA-N 1 0 191.278 1.713 50 0 in-vitro ADAARO C1CC[C@@H]2CC[NH2+]C[C@H]2C1 1676197 166094293 /nfs/dbraw/zinc/09/42/93/166094293.db2.gz NENLYAQPNATJSU-RKDXNWHRSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO C1CC[C@@H]2[NH2+]C[C@H]2CC1 57219297 166094324 /nfs/dbraw/zinc/09/43/24/166094324.db2.gz JJVUJYHRYYMVMK-SFYZADRCSA-N 1 0 125.215 1.539 50 0 in-vitro ADAARO C1CC[C@@]2(CCC[NH2+]C2)OC1 98095834 166094442 /nfs/dbraw/zinc/09/44/42/166094442.db2.gz QHPMPGYFWNHQKR-VIFPVBQESA-N 1 0 155.241 1.309 50 0 in-vitro ADAARO C1CC[C@H]2NCCC[N@H+]2CC1 19320245 166094463 /nfs/dbraw/zinc/09/44/63/166094463.db2.gz RWENYVRYDPMMRO-VIFPVBQESA-N 1 0 154.257 1.182 50 0 ADAARO C1CC[C@H]2C[C@@H]2[NH2+]C1 57219025 166094528 /nfs/dbraw/zinc/09/45/28/166094528.db2.gz NVMHSYWERCFZDK-BQBZGAKWSA-N 1 0 111.188 1.148 50 0 ADAARO C1CC[C@H]2[NH2+]C[C@@H]2C1 20596524 166094563 /nfs/dbraw/zinc/09/45/63/166094563.db2.gz OQDPEXFDRKDVPE-NKWVEPMBSA-N 1 0 111.188 1.148 50 0 ADAARO C1CC[C@H]2C[NH2+]CC[C@H]2C1 1676195 166094651 /nfs/dbraw/zinc/09/46/51/166094651.db2.gz NENLYAQPNATJSU-BDAKNGLRSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO C1CC[C@H]2C[NH2+]C[C@@H]2C1 1622140 166094654 /nfs/dbraw/zinc/09/46/54/166094654.db2.gz ODSNARDHJFFSRH-YUMQZZPRSA-N 1 0 125.215 1.396 50 0 biogenic,in-vitro ADAARO C1CC[C@@H]2OC[NH2+]C[C@@H]2C1 39258458 166094671 /nfs/dbraw/zinc/09/46/71/166094671.db2.gz FUZGOPSYMYKTHO-YUMQZZPRSA-N 1 0 141.214 1.123 50 0 ADAARO C1CC[C@H]2[NH2+]CC[C@@H]2C1 5133954 166094682 /nfs/dbraw/zinc/09/46/82/166094682.db2.gz PDELQDSYLBLPQO-JGVFFNPUSA-N 1 0 125.215 1.539 50 0 ADAARO C1CC[C@]2(CCC[NH2+]C2)OC1 98095835 166094698 /nfs/dbraw/zinc/09/46/98/166094698.db2.gz QHPMPGYFWNHQKR-SECBINFHSA-N 1 0 155.241 1.309 50 0 in-vitro ADAARO C1CC[C@@H]2[NH2+]CC[C@@H]2C1 5134026 166094722 /nfs/dbraw/zinc/09/47/22/166094722.db2.gz PDELQDSYLBLPQO-YUMQZZPRSA-N 1 0 125.215 1.539 50 0 ADAARO C1CC[C@@H]2C[NH2+]CC[C@@H]2C1 1676198 166094766 /nfs/dbraw/zinc/09/47/66/166094766.db2.gz NENLYAQPNATJSU-DTWKUNHWSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO C1CC[C@@H]2CCC[NH2+][C@H]2C1 1587671 166094924 /nfs/dbraw/zinc/09/49/24/166094924.db2.gz POTIYWUALSJREP-BDAKNGLRSA-N 1 0 139.242 1.929 50 0 in-vitro ADAARO C1CC[C@H]2SCC[NH2+][C@@H]2C1 70203083 166094943 /nfs/dbraw/zinc/09/49/43/166094943.db2.gz WBNHBYBUEYNWRX-HTQZYQBOSA-N 1 0 157.282 1.634 50 0 in-vitro ADAARO C1CC[C@]2(CCCOC2)[NH2+]C1 82406555 166094966 /nfs/dbraw/zinc/09/49/66/166094966.db2.gz CKSQQLATXNPILX-SECBINFHSA-N 1 0 155.241 1.309 50 0 ADAARO C1CC[C@H]2[NH2+]C[C@H]2C1 20596526 166095102 /nfs/dbraw/zinc/09/51/02/166095102.db2.gz OQDPEXFDRKDVPE-RNFRBKRXSA-N 1 0 111.188 1.148 50 0 ADAARO C1CC[C@H]2C[NH2+]CC[C@@H]2C1 1676196 166095104 /nfs/dbraw/zinc/09/51/04/166095104.db2.gz NENLYAQPNATJSU-IUCAKERBSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO C1CC[C@@H]2C[C@H]2[NH2+]C1 57219026 166095109 /nfs/dbraw/zinc/09/51/09/166095109.db2.gz NVMHSYWERCFZDK-RNFRBKRXSA-N 1 0 111.188 1.148 50 0 ADAARO C1CC[C@H]2[NH2+]CCC[C@H]2C1 1693265 166095128 /nfs/dbraw/zinc/09/51/28/166095128.db2.gz POTIYWUALSJREP-RKDXNWHRSA-N 1 0 139.242 1.929 50 0 in-vitro ADAARO C1C[NH+]2CCC1CC2 1486613 166095936 /nfs/dbraw/zinc/09/59/36/166095936.db2.gz SBYHFKPVCBCYGV-UHFFFAOYSA-N 1 0 111.188 1.102 50 0 in-vitro ADAARO C1C[NH2+]C[C@H](c2nc(C3CC3)no2)C1 21502955 166096729 /nfs/dbraw/zinc/09/67/29/166096729.db2.gz KSIZOLMMFDCERU-MRVPVSSYSA-N 1 0 193.250 1.414 50 0 in-vitro ADAARO C1C[NH2+][C@H]([C@H]2CCCOC2)C1 62194272 166096792 /nfs/dbraw/zinc/09/67/92/166096792.db2.gz QQBAKGYUFQRXSE-IUCAKERBSA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO C1C[NH2+]C[C@H](C[C@@H]2CCCO2)C1 42784225 166096799 /nfs/dbraw/zinc/09/67/99/166096799.db2.gz LJPKXPBVQJBBQK-UWVGGRQHSA-N 1 0 169.268 1.555 50 0 ADAARO C1C[NH2+][C@H]2CCC[C@H]2C1 1233190 166096804 /nfs/dbraw/zinc/09/68/04/166096804.db2.gz CJNWCWVQGCSQRA-YUMQZZPRSA-N 1 0 125.215 1.539 50 0 ADAARO C1C[NH2+][C@H]2CCC[C@@H]2C1 4955472 166096868 /nfs/dbraw/zinc/09/68/68/166096868.db2.gz CJNWCWVQGCSQRA-SFYZADRCSA-N 1 0 125.215 1.539 50 0 ADAARO C1C[NH2+][C@@H]2CCC[C@H]2C1 4955471 166097015 /nfs/dbraw/zinc/09/70/15/166097015.db2.gz CJNWCWVQGCSQRA-JGVFFNPUSA-N 1 0 125.215 1.539 50 0 ADAARO C1C[NH2+]C[C@H](c2nnc(C3CC3)o2)C1 26424237 166097017 /nfs/dbraw/zinc/09/70/17/166097017.db2.gz BZOXKNRWLXHQEH-MRVPVSSYSA-N 1 0 193.250 1.414 50 0 ADAARO C1C[NH2+][C@@H](CC2CC2)C1 49728997 166097050 /nfs/dbraw/zinc/09/70/50/166097050.db2.gz XQSRAXDBTPKIRH-MRVPVSSYSA-N 1 0 125.215 1.539 50 0 ADAARO C1C[NH2+]C[C@H](OCC2CC2)C1 14631533 166097082 /nfs/dbraw/zinc/09/70/82/166097082.db2.gz YPTKIXGGEPCHDH-SECBINFHSA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO C1C[NH2+]C[C@H](c2noc(C3CC3)n2)C1 62257528 166097181 /nfs/dbraw/zinc/09/71/81/166097181.db2.gz ZHBNOZACIAFFKF-MRVPVSSYSA-N 1 0 193.250 1.414 50 0 in-vitro ADAARO C1C[NH2+]C[C@H](c2nnc(C3CC3)[nH]2)C1 41058755 166097323 /nfs/dbraw/zinc/09/73/23/166097323.db2.gz ZCUSQAMYBYWEDZ-MRVPVSSYSA-N 1 0 192.266 1.149 50 0 in-vitro ADAARO C1C[NH2+][C@@H]2CCC[C@@H]2C1 4955468 166097417 /nfs/dbraw/zinc/09/74/17/166097417.db2.gz CJNWCWVQGCSQRA-HTQZYQBOSA-N 1 0 125.215 1.539 50 0 ADAARO C1C[NH2+]C[C@H](COC[C@H]2CCCO2)C1 14631137 166097507 /nfs/dbraw/zinc/09/75/07/166097507.db2.gz BJDFNYRKCRSLCE-GHMZBOCLSA-N 1 0 199.294 1.182 50 0 in-vitro ADAARO C1C[NH2+]C[C@H](CCOCC2CC2)C1 42771514 166097681 /nfs/dbraw/zinc/09/76/81/166097681.db2.gz YCDWFNJJLSHEHJ-JTQLQIEISA-N 1 0 183.295 1.803 50 0 ADAARO C1C[NH2+][C@H](C2CCOCC2)C1 61671118 166097716 /nfs/dbraw/zinc/09/77/16/166097716.db2.gz NTAYTBQWOPZZIL-VIFPVBQESA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO C1C[NH2+]C[C@H]([C@H]2CCOC2)C1 74342657 166097760 /nfs/dbraw/zinc/09/77/60/166097760.db2.gz HAAZITJLWXQIIU-BDAKNGLRSA-N 1 0 155.241 1.023 50 0 in-vitro ADAARO C1C[NH2+]C[C@H](C[C@H]2CCCO2)C1 42784227 166097801 /nfs/dbraw/zinc/09/78/01/166097801.db2.gz LJPKXPBVQJBBQK-VHSXEESVSA-N 1 0 169.268 1.555 50 0 ADAARO C1C[NH2+]C[C@]2(C1)CCCOC2 70063939 166097808 /nfs/dbraw/zinc/09/78/08/166097808.db2.gz YXDVRIQBOMUBEQ-VIFPVBQESA-N 1 0 155.241 1.167 50 0 in-vitro ADAARO C1C[NH2+][C@@H](c2nnc(C3CC3)o2)C1 72233246 166097812 /nfs/dbraw/zinc/09/78/12/166097812.db2.gz MYDPXIOJSDUDBR-SSDOTTSWSA-N 1 0 179.223 1.372 50 0 ADAARO C1C[NH2+][C@H](c2nc(C3CC3)no2)C1 21503085 166097891 /nfs/dbraw/zinc/09/78/91/166097891.db2.gz XXKINXALESACRW-ZETCQYMHSA-N 1 0 179.223 1.372 50 0 ADAARO C1C[NH2+]C[C@H](C2CCOCC2)C1 82401259 166097901 /nfs/dbraw/zinc/09/79/01/166097901.db2.gz XZSBNFBGNDGGOL-SNVBAGLBSA-N 1 0 169.268 1.413 50 0 ADAARO C1C[NH2+]C[C@H](C[C@@H]2CCOC2)C1 82457331 166097962 /nfs/dbraw/zinc/09/79/62/166097962.db2.gz YESNEDJMLRFJMM-UWVGGRQHSA-N 1 0 169.268 1.413 50 0 in-vitro ADAARO C1C[NH2+][C@@H](C2CC2)C1 19406530 166097968 /nfs/dbraw/zinc/09/79/68/166097968.db2.gz WOUSTBXLCUPLRA-SSDOTTSWSA-N 1 0 111.188 1.148 50 0 in-vitro ADAARO C1C[NH2+][C@@H](C2CCOCC2)C1 61671117 166097980 /nfs/dbraw/zinc/09/79/80/166097980.db2.gz NTAYTBQWOPZZIL-SECBINFHSA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO C1C[NH2+][C@]2(C1)CCSC2 83267867 166098117 /nfs/dbraw/zinc/09/81/17/166098117.db2.gz FNUDUNIPMRZBNQ-SSDOTTSWSA-N 1 0 143.255 1.246 50 0 ADAARO C1C[NH2+]C[C@H]([C@@H]2CCOC2)C1 74342655 166098417 /nfs/dbraw/zinc/09/84/17/166098417.db2.gz HAAZITJLWXQIIU-RKDXNWHRSA-N 1 0 155.241 1.023 50 0 in-vitro ADAARO C1C[NH2+]C[C@]2(C1)CCSC2 82405820 166098443 /nfs/dbraw/zinc/09/84/43/166098443.db2.gz FBSCSPRKSOFKPP-QMMMGPOBSA-N 1 0 157.282 1.493 50 0 ADAARO C1C[NH2+]C[C@H](C[C@H]2CCOC2)C1 82457333 166098633 /nfs/dbraw/zinc/09/86/33/166098633.db2.gz YESNEDJMLRFJMM-VHSXEESVSA-N 1 0 169.268 1.413 50 0 in-vitro ADAARO C1C[NH2+][C@H](c2nnc(C3CC3)o2)C1 72233247 166098635 /nfs/dbraw/zinc/09/86/35/166098635.db2.gz MYDPXIOJSDUDBR-ZETCQYMHSA-N 1 0 179.223 1.372 50 0 ADAARO C1C[NH2+][C@H](C2CC2)C1 19406534 166098638 /nfs/dbraw/zinc/09/86/38/166098638.db2.gz WOUSTBXLCUPLRA-ZETCQYMHSA-N 1 0 111.188 1.148 50 0 in-vitro ADAARO C1C[NH2+][C@@]2(C1)CCSC2 83267866 166098694 /nfs/dbraw/zinc/09/86/94/166098694.db2.gz FNUDUNIPMRZBNQ-ZETCQYMHSA-N 1 0 143.255 1.246 50 0 ADAARO C1C[NH2+]C[C@H](COCC2CC2)C1 42775841 166098697 /nfs/dbraw/zinc/09/86/97/166098697.db2.gz OTVMUNARLBLWIE-SNVBAGLBSA-N 1 0 169.268 1.413 50 0 ADAARO C1C[NH2+][C@@H](c2nc(C3CC3)no2)C1 21503083 166098701 /nfs/dbraw/zinc/09/87/01/166098701.db2.gz XXKINXALESACRW-SSDOTTSWSA-N 1 0 179.223 1.372 50 0 ADAARO C1C[NH2+][C@H](CC2CC2)C1 49728999 166098846 /nfs/dbraw/zinc/09/88/46/166098846.db2.gz XQSRAXDBTPKIRH-QMMMGPOBSA-N 1 0 125.215 1.539 50 0 ADAARO C1CO[C@H](C[NH2+][C@@H]2CCSC2)C1 12481365 166099414 /nfs/dbraw/zinc/09/94/14/166099414.db2.gz HUSJZIRGWUBMFU-BDAKNGLRSA-N 1 0 187.308 1.261 50 0 in-vitro ADAARO C1CO[C@@H](C[NH2+][C@H]2CCSC2)C1 12481374 166099482 /nfs/dbraw/zinc/09/94/82/166099482.db2.gz HUSJZIRGWUBMFU-DTWKUNHWSA-N 1 0 187.308 1.261 50 0 in-vitro ADAARO C1CO[C@H](C2CC[NH2+]CC2)C1 95942460 166099629 /nfs/dbraw/zinc/09/96/29/166099629.db2.gz MDZMCSFGQPLQBP-VIFPVBQESA-N 1 0 155.241 1.165 50 0 ADAARO C1CO[C@@H]([C@@H]2[NH2+]CC23CCC3)C1 238857060 166099707 /nfs/dbraw/zinc/09/97/07/166099707.db2.gz XYMUNDPNQNXVDR-BDAKNGLRSA-N 1 0 167.252 1.308 50 0 in-vitro ADAARO C1CO[C@H](C[NH2+]CC2CC2)C1 588315 166100199 /nfs/dbraw/zinc/10/01/99/166100199.db2.gz DMMCSRZAOOXDCN-VIFPVBQESA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO C1COC[C@H]([C@@H]2CCC[NH2+]2)C1 62194270 166100668 /nfs/dbraw/zinc/10/06/68/166100668.db2.gz QQBAKGYUFQRXSE-BDAKNGLRSA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO C1COC[C@H]([C@H]2CCC[NH2+]2)C1 62194269 166100747 /nfs/dbraw/zinc/10/07/47/166100747.db2.gz QQBAKGYUFQRXSE-RKDXNWHRSA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO C1CO[C@@H](C[NH2+]CC2CC2)C1 588316 166100770 /nfs/dbraw/zinc/10/07/70/166100770.db2.gz DMMCSRZAOOXDCN-SECBINFHSA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO C1CO[C@@H]([C@H]2[NH2+]CC23CCC3)C1 238857063 166100908 /nfs/dbraw/zinc/10/09/08/166100908.db2.gz XYMUNDPNQNXVDR-RKDXNWHRSA-N 1 0 167.252 1.308 50 0 in-vitro ADAARO C1CO[C@H](COC[C@@H]2CCC[NH2+]C2)C1 14631133 166101008 /nfs/dbraw/zinc/10/10/08/166101008.db2.gz BJDFNYRKCRSLCE-MNOVXSKESA-N 1 0 199.294 1.182 50 0 in-vitro ADAARO C1COC[C@@H]([C@H]2CCC[NH2+]2)C1 62194271 166101332 /nfs/dbraw/zinc/10/13/32/166101332.db2.gz QQBAKGYUFQRXSE-DTWKUNHWSA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO C1CO[C@H](C[C@H]2CCC[NH2+]C2)C1 42784224 166101355 /nfs/dbraw/zinc/10/13/55/166101355.db2.gz LJPKXPBVQJBBQK-ZJUUUORDSA-N 1 0 169.268 1.555 50 0 ADAARO C1CO[C@H](C[NH2+][C@H]2CCSC2)C1 12481380 166101365 /nfs/dbraw/zinc/10/13/65/166101365.db2.gz HUSJZIRGWUBMFU-IUCAKERBSA-N 1 0 187.308 1.261 50 0 in-vitro ADAARO C1CO[C@@H](C[NH2+][C@@H]2CCSC2)C1 12481357 166101698 /nfs/dbraw/zinc/10/16/98/166101698.db2.gz HUSJZIRGWUBMFU-RKDXNWHRSA-N 1 0 187.308 1.261 50 0 in-vitro ADAARO C1CO[C@@H](C2CC[NH2+]CC2)C1 95942459 166101785 /nfs/dbraw/zinc/10/17/85/166101785.db2.gz MDZMCSFGQPLQBP-SECBINFHSA-N 1 0 155.241 1.165 50 0 ADAARO C1COCC2(C1)CC[NH2+]CC2 69629981 166101872 /nfs/dbraw/zinc/10/18/72/166101872.db2.gz WTRQSWYPRFTEFE-UHFFFAOYSA-N 1 0 155.241 1.167 50 0 ADAARO C1C[C@@H]2C[NH2+]CC[C@@H]2N(C2CC2)C1 82164185 166102255 /nfs/dbraw/zinc/10/22/55/166102255.db2.gz RWCSXGLLLAJTJY-KOLCDFICSA-N 1 0 180.295 1.223 50 0 in-vitro ADAARO C1CSC[C@H](C2CC2)[NH2+]1 70588123 166102284 /nfs/dbraw/zinc/10/22/84/166102284.db2.gz SZFBVMRIEDGFHB-SSDOTTSWSA-N 1 0 143.255 1.101 50 0 in-vitro ADAARO C1C[C@@H]2CC[NH2+][C@@H]2C1 39220730 166102468 /nfs/dbraw/zinc/10/24/68/166102468.db2.gz ADKDJHASTPQGEO-RNFRBKRXSA-N 1 0 111.188 1.148 50 0 ADAARO C1C[C@@H]2C[NH2+]CC[C@H]2C1 34294794 166102504 /nfs/dbraw/zinc/10/25/04/166102504.db2.gz KPXSPHQLZBMRLW-HTQZYQBOSA-N 1 0 125.215 1.396 50 0 ADAARO C1CO[C@H]([C@@H]2[NH2+]CC23CCC3)C1 238857062 166102756 /nfs/dbraw/zinc/10/27/56/166102756.db2.gz XYMUNDPNQNXVDR-IUCAKERBSA-N 1 0 167.252 1.308 50 0 in-vitro ADAARO C1C[C@@H]2C[NH2+]C[C@@H]2C1 5134521 166102784 /nfs/dbraw/zinc/10/27/84/166102784.db2.gz UZHVXJZEHGSWQV-KNVOCYPGSA-N 1 0 111.188 1.006 50 0 in-vitro ADAARO C1C[C@@H](C2CC2)C[NH2+]1 51690992 166103001 /nfs/dbraw/zinc/10/30/01/166103001.db2.gz DIPYDHCEOYPCTC-SSDOTTSWSA-N 1 0 111.188 1.006 50 0 in-vitro ADAARO C1C[C@@H](C2CCOCC2)C[NH2+]1 52179806 166103136 /nfs/dbraw/zinc/10/31/36/166103136.db2.gz LTIBHODBZZLTHJ-SECBINFHSA-N 1 0 155.241 1.023 50 0 in-vitro ADAARO C1CO[C@H]([C@H]2[NH2+]CC23CCC3)C1 238857061 166103210 /nfs/dbraw/zinc/10/32/10/166103210.db2.gz XYMUNDPNQNXVDR-DTWKUNHWSA-N 1 0 167.252 1.308 50 0 in-vitro ADAARO C1C[C@@H](C[NH2+]CC2CC2)CO1 19885022 166103670 /nfs/dbraw/zinc/10/36/70/166103670.db2.gz DSHJENQVSYLGCI-VIFPVBQESA-N 1 0 155.241 1.023 50 0 ADAARO C1C[C@@H](c2nc(C3CC3)no2)C[NH2+]1 62119632 166103779 /nfs/dbraw/zinc/10/37/79/166103779.db2.gz UHWKRAJPWOGTQP-SSDOTTSWSA-N 1 0 179.223 1.024 50 0 in-vitro ADAARO C1CSC[C@@H](C2CC2)[NH2+]1 70588122 166104005 /nfs/dbraw/zinc/10/40/05/166104005.db2.gz SZFBVMRIEDGFHB-ZETCQYMHSA-N 1 0 143.255 1.101 50 0 in-vitro ADAARO C1C[C@@H](CC2CC2)C[NH2+]1 42784179 166104095 /nfs/dbraw/zinc/10/40/95/166104095.db2.gz QFLJECQUSIEQJK-QMMMGPOBSA-N 1 0 125.215 1.396 50 0 ADAARO C1C[C@@H]2C[NH2+]C[C@H](C1)C2 2001666 166104135 /nfs/dbraw/zinc/10/41/35/166104135.db2.gz XAIUACHCJPWUEF-OCAPTIKFSA-N 1 0 125.215 1.396 50 0 in-vitro ADAARO C1C[C@@H]2C[NH2+][C@H](C1)C2 32215039 166104179 /nfs/dbraw/zinc/10/41/79/166104179.db2.gz VJPPDEZWWKCSIV-NKWVEPMBSA-N 1 0 111.188 1.148 50 0 ADAARO C1C[C@@H]2C[NH2+]C[C@H]2C1 5134522 166104291 /nfs/dbraw/zinc/10/42/91/166104291.db2.gz UZHVXJZEHGSWQV-RNFRBKRXSA-N 1 0 111.188 1.006 50 0 in-vitro ADAARO C1C[C@@H]2CC[NH2+]C[C@@H]2C1 34294790 166104313 /nfs/dbraw/zinc/10/43/13/166104313.db2.gz KPXSPHQLZBMRLW-SFYZADRCSA-N 1 0 125.215 1.396 50 0 ADAARO C1C[C@@H]2C[NH2+]CC[C@H]2N(C2CC2)C1 82164188 166104415 /nfs/dbraw/zinc/10/44/15/166104415.db2.gz RWCSXGLLLAJTJY-MWLCHTKSSA-N 1 0 180.295 1.223 50 0 in-vitro ADAARO C1C[C@@H](COCC2CC2)C[NH2+]1 42771525 166104501 /nfs/dbraw/zinc/10/45/01/166104501.db2.gz VILQGKAIDWXNGU-SECBINFHSA-N 1 0 155.241 1.023 50 0 in-vitro ADAARO C1C[C@H]2CC[NH2+]C[C@@H]2C1 34294792 166105294 /nfs/dbraw/zinc/10/52/94/166105294.db2.gz KPXSPHQLZBMRLW-YUMQZZPRSA-N 1 0 125.215 1.396 50 0 ADAARO C1C[C@H](COCC2CC2)C[NH2+]1 42771529 166105449 /nfs/dbraw/zinc/10/54/49/166105449.db2.gz VILQGKAIDWXNGU-VIFPVBQESA-N 1 0 155.241 1.023 50 0 in-vitro ADAARO C1C[C@H]2CC[NH2+]CC[C@@H]2C1 24512983 166105500 /nfs/dbraw/zinc/10/55/00/166105500.db2.gz MBCQCLOAEMISBA-IUCAKERBSA-N 1 0 139.242 1.786 50 0 ADAARO C1C[C@@H]2[NH2+]CCS[C@@H]2C1 70203092 166105670 /nfs/dbraw/zinc/10/56/70/166105670.db2.gz IJJUBIFQLYZYPO-NKWVEPMBSA-N 1 0 143.255 1.244 50 0 in-vitro ADAARO C1C[C@H]2CC[C@@H](C[NH2+]1)C2 34300770 166105928 /nfs/dbraw/zinc/10/59/28/166105928.db2.gz QVHPIHIFORFCJG-HTQZYQBOSA-N 1 0 125.215 1.396 50 0 ADAARO C1C[C@H](c2nc(C3CC3)no2)C[NH2+]1 62119633 166105948 /nfs/dbraw/zinc/10/59/48/166105948.db2.gz UHWKRAJPWOGTQP-ZETCQYMHSA-N 1 0 179.223 1.024 50 0 in-vitro ADAARO C1C[C@H]2C[NH2+]C[C@@H]2C1 5134712 166105977 /nfs/dbraw/zinc/10/59/77/166105977.db2.gz UZHVXJZEHGSWQV-BQBZGAKWSA-N 1 0 111.188 1.006 50 0 in-vitro ADAARO C1C[C@H]2C[NH2+]C[C@@H]1C2 39205819 166105996 /nfs/dbraw/zinc/10/59/96/166105996.db2.gz CJQNJRRDTPULTL-KNVOCYPGSA-N 1 0 111.188 1.006 50 0 ADAARO C1C[C@H](C[NH2+]CC2CC2)CO1 19885024 166106324 /nfs/dbraw/zinc/10/63/24/166106324.db2.gz DSHJENQVSYLGCI-SECBINFHSA-N 1 0 155.241 1.023 50 0 ADAARO C1C[C@H]2C[NH2+]CC[C@H]2N(C2CC2)C1 82164190 166106398 /nfs/dbraw/zinc/10/63/98/166106398.db2.gz RWCSXGLLLAJTJY-GXSJLCMTSA-N 1 0 180.295 1.223 50 0 in-vitro ADAARO C1C[C@H]2CC[NH2+]CC[C@H]2C1 24512980 166106426 /nfs/dbraw/zinc/10/64/26/166106426.db2.gz MBCQCLOAEMISBA-DTORHVGOSA-N 1 0 139.242 1.786 50 0 ADAARO C1C[C@H]2CC[C@@H](C1)[NH2+]2 5134515 166106438 /nfs/dbraw/zinc/10/64/38/166106438.db2.gz DGGKXQQCVPAUEA-KNVOCYPGSA-N 1 0 111.188 1.291 50 0 in-vitro ADAARO C1C[C@H]2CC[NH2+][C@@H]2C1 39220732 166106608 /nfs/dbraw/zinc/10/66/08/166106608.db2.gz ADKDJHASTPQGEO-NKWVEPMBSA-N 1 0 111.188 1.148 50 0 ADAARO C1C[C@@H]2C[C@H]1[C@@H]1C[NH2+]C[C@@H]12 67425205 166106646 /nfs/dbraw/zinc/10/66/46/166106646.db2.gz VBSDAMAWZZSZMY-SPJNRGJMSA-N 1 0 137.226 1.252 50 0 ADAARO C1C[C@H]2CC[NH2+][C@H]2C1 39220735 166107057 /nfs/dbraw/zinc/10/70/57/166107057.db2.gz ADKDJHASTPQGEO-BQBZGAKWSA-N 1 0 111.188 1.148 50 0 ADAARO C1C[C@@]2(CCSC2)C[NH2+]1 51955337 166107088 /nfs/dbraw/zinc/10/70/88/166107088.db2.gz OCRHRSROOZDUMT-SSDOTTSWSA-N 1 0 143.255 1.103 50 0 ADAARO C1C[C@@H]2[NH2+]CCS[C@H]2C1 70203096 166107175 /nfs/dbraw/zinc/10/71/75/166107175.db2.gz IJJUBIFQLYZYPO-BQBZGAKWSA-N 1 0 143.255 1.244 50 0 in-vitro ADAARO C1C[C@@H]2SCC[NH2+][C@@H]2C1 70203094 166107214 /nfs/dbraw/zinc/10/72/14/166107214.db2.gz IJJUBIFQLYZYPO-RQJHMYQMSA-N 1 0 143.255 1.244 50 0 in-vitro ADAARO C1C[C@@H]2[NH2+]CC[C@H]2C1 39220733 166107433 /nfs/dbraw/zinc/10/74/33/166107433.db2.gz ADKDJHASTPQGEO-RQJHMYQMSA-N 1 0 111.188 1.148 50 0 ADAARO C1C[C@H]2CC[NH2+][C@@H](C1)C2 39205791 166107450 /nfs/dbraw/zinc/10/74/50/166107450.db2.gz ZPAPCUKKKOSLPZ-YUMQZZPRSA-N 1 0 125.215 1.539 50 0 ADAARO C1C[C@H]2C[NH2+]CC[C@@H]2N(C2CC2)C1 82164187 166107506 /nfs/dbraw/zinc/10/75/06/166107506.db2.gz RWCSXGLLLAJTJY-ONGXEEELSA-N 1 0 180.295 1.223 50 0 in-vitro ADAARO C1C[C@H](C2CCOCC2)C[NH2+]1 52179808 166107546 /nfs/dbraw/zinc/10/75/46/166107546.db2.gz LTIBHODBZZLTHJ-VIFPVBQESA-N 1 0 155.241 1.023 50 0 in-vitro ADAARO C1C[C@H](CC2CC2)C[NH2+]1 42784180 166107687 /nfs/dbraw/zinc/10/76/87/166107687.db2.gz QFLJECQUSIEQJK-MRVPVSSYSA-N 1 0 125.215 1.396 50 0 ADAARO C1C[C@H](C2CC2)C[NH2+]1 51690994 166107705 /nfs/dbraw/zinc/10/77/05/166107705.db2.gz DIPYDHCEOYPCTC-ZETCQYMHSA-N 1 0 111.188 1.006 50 0 in-vitro ADAARO C1C[C@H]2CC[NH2+]C[C@H]2C1 34294796 166107720 /nfs/dbraw/zinc/10/77/20/166107720.db2.gz KPXSPHQLZBMRLW-JGVFFNPUSA-N 1 0 125.215 1.396 50 0 ADAARO C1C[C@H]2[NH2+]CCS[C@@H]2C1 70203090 166108653 /nfs/dbraw/zinc/10/86/53/166108653.db2.gz IJJUBIFQLYZYPO-RNFRBKRXSA-N 1 0 143.255 1.244 50 0 in-vitro ADAARO C1C[C@H]2C[C@@H](C1)C[NH2+]2 32215037 166109510 /nfs/dbraw/zinc/10/95/10/166109510.db2.gz VJPPDEZWWKCSIV-RQJHMYQMSA-N 1 0 111.188 1.148 50 0 in-vitro ADAARO C1C[C@]2(CCSC2)C[NH2+]1 51955336 166109702 /nfs/dbraw/zinc/10/97/02/166109702.db2.gz OCRHRSROOZDUMT-ZETCQYMHSA-N 1 0 143.255 1.103 50 0 ADAARO C1[NH2+][C@@H]2C[C@@H]3C[C@H]1C[C@@H](C3)C2 100113494 166110307 /nfs/dbraw/zinc/11/03/07/166110307.db2.gz CRKHNIDATUGNFE-YNFQOJQRSA-N 1 0 151.253 1.785 50 0 ADAARO C=C/C=C/CC[NH3+] 34119873 166141084 /nfs/dbraw/zinc/14/10/84/166141084.db2.gz ODMTXWUFQDEXBS-ONEGZZNKSA-N 1 0 97.161 1.077 50 0 ADAARO C=CC(=O)NC(C)(C)CC[NH+](C)C 1906480 166154943 /nfs/dbraw/zinc/15/49/43/166154943.db2.gz OCMFIRSRLNISHF-UHFFFAOYSA-N 1 0 184.283 1.019 50 0 ADAARO C=CC(=O)NCC[NH+]1CCC(C)CC1 40772468 166156068 /nfs/dbraw/zinc/15/60/68/166156068.db2.gz OBNUSWSAVUKCFD-UHFFFAOYSA-N 1 0 196.294 1.021 50 0 ADAARO C=CC(=O)OCC[NH+](CC)CC 1666592 166158702 /nfs/dbraw/zinc/15/87/02/166158702.db2.gz QHVBLSNVXDSMEB-UHFFFAOYSA-N 1 0 171.240 1.057 50 0 ADAARO C1CC([NH2+]C2CCOCC2)C1 44480705 166082575 /nfs/dbraw/zinc/08/25/75/166082575.db2.gz CBYCMBHVGFNEMU-UHFFFAOYSA-N 1 0 155.241 1.308 50 0 in-vitro ADAARO C1CC(C[NH2+]C2CC2)CCO1 40887143 166082580 /nfs/dbraw/zinc/08/25/80/166082580.db2.gz SFEIRCQPYYEWEJ-UHFFFAOYSA-N 1 0 155.241 1.165 50 0 ADAARO C1CC(CO[C@@H]2CCC[NH2+]C2)C1 42783049 166082584 /nfs/dbraw/zinc/08/25/84/166082584.db2.gz IYVMJGBLCOOCRA-SNVBAGLBSA-N 1 0 169.268 1.555 50 0 ADAARO C1CC(C[NH2+]CC2CC2)C1 21022134 166082588 /nfs/dbraw/zinc/08/25/88/166082588.db2.gz JXXBNDVAWWXOIG-UHFFFAOYSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO C1CC(C[NH2+]C[C@H]2CCCO2)C1 5612782 166082593 /nfs/dbraw/zinc/08/25/93/166082593.db2.gz VYNFOTRDWVGIRB-SNVBAGLBSA-N 1 0 169.268 1.555 50 0 in-vitro ADAARO C1CC(COCC2CC[NH2+]CC2)C1 42783054 166082594 /nfs/dbraw/zinc/08/25/94/166082594.db2.gz QPULPWVTLLSLKU-UHFFFAOYSA-N 1 0 183.295 1.803 50 0 ADAARO C1CC(COC[C@H]2CC[NH2+]C2)C1 42774309 166082624 /nfs/dbraw/zinc/08/26/24/166082624.db2.gz RVPGSDBMMJTELP-JTQLQIEISA-N 1 0 169.268 1.413 50 0 ADAARO C1CC(COCC2CC2)CC[NH2+]1 12404467 166082629 /nfs/dbraw/zinc/08/26/29/166082629.db2.gz RJVMOZPONNHQHQ-UHFFFAOYSA-N 1 0 169.268 1.413 50 0 in-vitro ADAARO C1CC([NH2+]CC2CC2)C1 42750072 166082630 /nfs/dbraw/zinc/08/26/30/166082630.db2.gz GMQMVGFLONYGSM-UHFFFAOYSA-N 1 0 125.215 1.539 50 0 in-vitro ADAARO C1CC(CO[C@H]2CC[NH2+]C2)C1 42783056 166082709 /nfs/dbraw/zinc/08/27/09/166082709.db2.gz OCVLJAOOQBAXCO-VIFPVBQESA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO C=COCC[NH2+]CCc1ccccn1 2584662 166211719 /nfs/dbraw/zinc/21/17/19/166211719.db2.gz ZEGNVUVSGCGHFD-UHFFFAOYSA-N 1 0 192.262 1.374 50 0 in-vitro ADAARO C=COCC[NH2+]Cc1ccccc1 2584663 166211995 /nfs/dbraw/zinc/21/19/95/166211995.db2.gz AZIHNRDAZYKXRK-UHFFFAOYSA-N 1 0 177.247 1.936 50 0 ADAARO C=COCC[NH2+]CCc1ccncc1 2584196 166212144 /nfs/dbraw/zinc/21/21/44/166212144.db2.gz OMYVBTWPUMIOSQ-UHFFFAOYSA-N 1 0 192.262 1.374 50 0 ADAARO C=C[Si](C)(C)[NH+](C)C 169746919 166222042 /nfs/dbraw/zinc/22/20/42/166222042.db2.gz FHYTZITXNBWWNN-UHFFFAOYSA-N 1 0 129.279 1.478 50 0 ADAARO C=Cc1cc[n+](C)cc1 5764924 166222238 /nfs/dbraw/zinc/22/22/38/166222238.db2.gz AJWDVSJQPIRAKK-UHFFFAOYSA-N 1 0 120.175 1.154 50 0 ADAARO C=Cc1ccc(C[NH3+])cc1 44075534 166222363 /nfs/dbraw/zinc/22/23/63/166222363.db2.gz WAVDSLLYAQBITE-UHFFFAOYSA-N 1 0 133.194 1.788 50 0 in-vitro ADAARO C=Cc1ccc(CC[NH3+])cc1 39241039 166222805 /nfs/dbraw/zinc/22/28/05/166222805.db2.gz FXWRUNXMOLCZEE-UHFFFAOYSA-N 1 0 147.221 1.831 50 0 in-vitro ADAARO C=Cc1ccc(CNCC[NH2+]C)cc1 71773493 166223184 /nfs/dbraw/zinc/22/31/84/166223184.db2.gz CBCWMRSMUMTGAX-UHFFFAOYSA-N 1 0 190.290 1.639 50 0 ADAARO C=Cc1cccc[n+]1C 2558006 166223194 /nfs/dbraw/zinc/22/31/94/166223194.db2.gz DTJIKSRARSRPBU-UHFFFAOYSA-N 1 0 120.175 1.154 50 0 in-vitro ADAARO C=Cc1ccc(C)[n+](C)c1 1297257 166223235 /nfs/dbraw/zinc/22/32/35/166223235.db2.gz HMNBKPJLCVHWRW-UHFFFAOYSA-N 1 0 134.202 1.463 50 0 ADAARO C=Cc1cc[n+](CC)cc1 1240355 166223327 /nfs/dbraw/zinc/22/33/27/166223327.db2.gz YORNOYIKCMVNMD-UHFFFAOYSA-N 1 0 134.202 1.637 50 0 ADAARO CC(=[NH2+])CC(C)=O 6159143 166229957 /nfs/dbraw/zinc/22/99/57/166229957.db2.gz QISKERKMOGSCJB-UHFFFAOYSA-N 1 0 99.133 1.005 50 0 in-vitro ADAARO CC(=O)C(C)(C)C[NH+](C)C 2575332 166235043 /nfs/dbraw/zinc/23/50/43/166235043.db2.gz LXYPWJFDIBGUID-UHFFFAOYSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO CC(=O)CC[NH+]1CCSCC1 50133042 166241557 /nfs/dbraw/zinc/24/15/57/166241557.db2.gz WJPQVXZGDSEHSE-UHFFFAOYSA-N 1 0 173.281 1.014 50 0 ADAARO CC(=O)CC[NH2+]Cc1ccccc1 21987403 166242089 /nfs/dbraw/zinc/24/20/89/166242089.db2.gz JVAYPVAFQYMYKM-UHFFFAOYSA-N 1 0 177.247 1.755 50 0 in-vitro ADAARO CC(=O)CC[NH+]1CCCCC1 332774 166242217 /nfs/dbraw/zinc/24/22/17/166242217.db2.gz MSKZPGQVBNOLON-UHFFFAOYSA-N 1 0 155.241 1.451 50 0 in-vitro ADAARO CC(=O)CC[N@@H+](C)C(C)C 20439839 166242670 /nfs/dbraw/zinc/24/26/70/166242670.db2.gz JRSKFKZAKLAAMS-UHFFFAOYSA-N 1 0 143.230 1.306 50 0 in-vitro ADAARO CC(=O)CCc1cccc[n+]1C 518525 166244098 /nfs/dbraw/zinc/24/40/98/166244098.db2.gz GXLQKKAOIFXVOL-UHFFFAOYSA-N 1 0 164.228 1.033 50 0 biogenic ADAARO CC(=O)C[NH+]1CCCCC1 1646652 166244341 /nfs/dbraw/zinc/24/43/41/166244341.db2.gz WAPBWMNFSOOTGB-UHFFFAOYSA-N 1 0 141.214 1.061 50 0 in-vitro ADAARO CC(=O)C[NH+]1CCCCCC1 19092649 166245477 /nfs/dbraw/zinc/24/54/77/166245477.db2.gz WATMULOULXASJC-UHFFFAOYSA-N 1 0 155.241 1.451 50 0 in-vitro ADAARO CC(=O)C[C@H]1CCCC[N@H+]1C 1530366 166247155 /nfs/dbraw/zinc/24/71/55/166247155.db2.gz TYHJMEIBGDDCPA-SECBINFHSA-N 1 0 155.241 1.450 50 0 endogenous,in-man ADAARO CC(=O)N(C)c1cccc(C[NH3+])c1 153946 166251333 /nfs/dbraw/zinc/25/13/33/166251333.db2.gz DPMYETDSKOTDPX-UHFFFAOYSA-N 1 0 178.235 1.128 50 0 in-vitro ADAARO CC(=O)N(C)c1ccc(C[NH3+])cc1 20224945 166252498 /nfs/dbraw/zinc/25/24/98/166252498.db2.gz LRHWJSGJLPNRDR-UHFFFAOYSA-N 1 0 178.235 1.128 50 0 ADAARO CC(=O)N(C)c1ccc(CC[NH3+])cc1 20224884 166252900 /nfs/dbraw/zinc/25/29/00/166252900.db2.gz ZHXVDFDAJIWLOY-UHFFFAOYSA-N 1 0 192.262 1.171 50 0 ADAARO CC(=O)N1CCC([NH2+]CC(C)C)CC1 12359696 166257861 /nfs/dbraw/zinc/25/78/61/166257861.db2.gz YQFYWSRHLRHQDZ-UHFFFAOYSA-N 1 0 198.310 1.243 50 0 in-vitro ADAARO CC(=O)N1CCCCC[C@H]2[NH2+]CC[C@@H]21 77010503 166259112 /nfs/dbraw/zinc/25/91/12/166259112.db2.gz FMJJMDDBIXUZQM-MNOVXSKESA-N 1 0 196.294 1.139 50 0 ADAARO CC(=O)N1CC[NH2+]CC12CCCCC2 83116862 166262549 /nfs/dbraw/zinc/26/25/49/166262549.db2.gz PEEIBWAJAKHQBD-UHFFFAOYSA-N 1 0 196.294 1.141 50 0 ADAARO CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 154561 166270242 /nfs/dbraw/zinc/27/02/42/166270242.db2.gz HVXYQAREJSKQNE-UHFFFAOYSA-N 1 0 198.310 1.432 50 0 in-vitro ADAARO CC(=O)NCCCCCCCC[NH3+] 3130416 166271728 /nfs/dbraw/zinc/27/17/28/166271728.db2.gz GWPUBAZPNRZCKG-UHFFFAOYSA-N 1 0 186.299 1.422 50 0 ADAARO CC(=O)NCCC[NH+]1CCC(C)CC1 10540191 166272270 /nfs/dbraw/zinc/27/22/70/166272270.db2.gz JCETWNZTWKBWIS-UHFFFAOYSA-N 1 0 198.310 1.245 50 0 ADAARO CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 19803053 166284121 /nfs/dbraw/zinc/28/41/21/166284121.db2.gz ZORYGMLNMVLIDS-ZETCQYMHSA-N 1 0 178.235 1.665 50 0 in-vitro ADAARO CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 19803052 166284266 /nfs/dbraw/zinc/28/42/66/166284266.db2.gz ZORYGMLNMVLIDS-SSDOTTSWSA-N 1 0 178.235 1.665 50 0 in-vitro ADAARO CC(=O)Nc1ccc(CC[NH3+])cc1 19274815 166284507 /nfs/dbraw/zinc/28/45/07/166284507.db2.gz PEJPMSJNMPWTDU-UHFFFAOYSA-N 1 0 178.235 1.146 50 0 in-vitro ADAARO CC(=O)Nc1ccc(C[NH3+])cc1 2386139 166284523 /nfs/dbraw/zinc/28/45/23/166284523.db2.gz AWRGRDOODISXNB-UHFFFAOYSA-N 1 0 164.208 1.104 50 0 in-vitro ADAARO CC(=O)O[C@@H]1CC[NH2+][C@@H]2CCC[C@H]21 230289368 166289795 /nfs/dbraw/zinc/28/97/95/166289795.db2.gz ACICKIWJODIZNP-OPRDCNLKSA-N 1 0 183.251 1.080 50 0 ADAARO CC(=O)O[C@@H]1CC[NH2+][C@@H]2CCC[C@@H]21 85409942 166290092 /nfs/dbraw/zinc/29/00/92/166290092.db2.gz ACICKIWJODIZNP-IVZWLZJFSA-N 1 0 183.251 1.080 50 0 ADAARO CC(=O)O[C@@H]1CC[NH2+][C@H]2CCC[C@@H]21 85409937 166290200 /nfs/dbraw/zinc/29/02/00/166290200.db2.gz ACICKIWJODIZNP-LPEHRKFASA-N 1 0 183.251 1.080 50 0 ADAARO CC(=O)O[C@@H](C[NH3+])c1ccccc1 44250151 166290209 /nfs/dbraw/zinc/29/02/09/166290209.db2.gz VLXDQDJEENQBCU-JTQLQIEISA-N 1 0 179.219 1.250 50 0 ADAARO CC(=O)O[C@@H]1CC[NH2+][C@H]2CCCC[C@@H]21 4143900 166290293 /nfs/dbraw/zinc/29/02/93/166290293.db2.gz SHFBAWQUGPGEAL-GARJFASQSA-N 1 0 197.278 1.470 50 0 ADAARO CC(=O)O[C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]21 4143902 166290392 /nfs/dbraw/zinc/29/03/92/166290392.db2.gz SHFBAWQUGPGEAL-HBNTYKKESA-N 1 0 197.278 1.470 50 0 ADAARO CC(=O)O[C@@H]1CC[NH2+][C@H]2CCC[C@H]21 230289378 166290617 /nfs/dbraw/zinc/29/06/17/166290617.db2.gz ACICKIWJODIZNP-KXUCPTDWSA-N 1 0 183.251 1.080 50 0 ADAARO CC(=O)O[C@@H]1CC[C@H]2CCC[NH2+][C@@H]2C1 4955449 166290892 /nfs/dbraw/zinc/29/08/92/166290892.db2.gz WVVILWUFQOWLQE-GMTAPVOTSA-N 1 0 197.278 1.470 50 0 ADAARO CC(=O)O[C@@H]1CC[NH2+][C@H]2CCCC[C@H]21 229990306 166291539 /nfs/dbraw/zinc/29/15/39/166291539.db2.gz SHFBAWQUGPGEAL-OUAUKWLOSA-N 1 0 197.278 1.470 50 0 ADAARO CC(=O)O[C@@H]1CC[NH2+][C@@H]2CCCC[C@H]21 127745 166291625 /nfs/dbraw/zinc/29/16/25/166291625.db2.gz SHFBAWQUGPGEAL-GMTAPVOTSA-N 1 0 197.278 1.470 50 0 ADAARO CC(=O)O[C@@H]1CC[C@@H]2CCC[NH2+][C@@H]2C1 4955442 166291642 /nfs/dbraw/zinc/29/16/42/166291642.db2.gz WVVILWUFQOWLQE-HBNTYKKESA-N 1 0 197.278 1.470 50 0 ADAARO CC(=O)O[C@H](C[NH3+])c1ccccc1 78549295 166293175 /nfs/dbraw/zinc/29/31/75/166293175.db2.gz VLXDQDJEENQBCU-SNVBAGLBSA-N 1 0 179.219 1.250 50 0 ADAARO CC(=O)Oc1ccccc1C[NH3+] 2524589 166294916 /nfs/dbraw/zinc/29/49/16/166294916.db2.gz COXIADDOLPVBGM-UHFFFAOYSA-N 1 0 165.192 1.071 50 0 ADAARO CC(=O)Oc1ccccc1C[NH+](C)C 4898791 166294996 /nfs/dbraw/zinc/29/49/96/166294996.db2.gz NRGPJAKSADUUQP-UHFFFAOYSA-N 1 0 193.246 1.674 50 0 ADAARO CC(=O)Oc1ccc(C[NH3+])cc1 82632727 166296339 /nfs/dbraw/zinc/29/63/39/166296339.db2.gz HEKASPMMOZQJFO-UHFFFAOYSA-N 1 0 165.192 1.071 50 0 in-vitro ADAARO CC(=O)SCCCCCC[NH3+] 90609504 166296690 /nfs/dbraw/zinc/29/66/90/166296690.db2.gz CVJRFXDLOMOAGV-UHFFFAOYSA-N 1 0 175.297 1.785 50 0 in-vitro ADAARO CC(=O)[C@@H]([NH3+])Cc1ccccc1 5883734 166298404 /nfs/dbraw/zinc/29/84/04/166298404.db2.gz RTUDQBPZFFIRAD-JTQLQIEISA-N 1 0 163.220 1.145 50 0 in-vitro ADAARO CC(=O)[C@@H](C)C[NH2+]C(C)(C)C 85409913 166298815 /nfs/dbraw/zinc/29/88/15/166298815.db2.gz KMSLCOBXGPOORI-ZETCQYMHSA-N 1 0 157.257 1.600 50 0 ADAARO CC(=O)[C@@H](CC(C)C)C[NH+](C)C 71257434 166299022 /nfs/dbraw/zinc/29/90/22/166299022.db2.gz QCDJYGZCMGEQNF-JTQLQIEISA-N 1 0 171.284 1.799 50 0 in-vitro ADAARO CC(=O)[C@@H](C)[NH2+]C(C)(C)C 328457 166299083 /nfs/dbraw/zinc/29/90/83/166299083.db2.gz JSPAFIBWRAKWRY-ZCFIWIBFSA-N 1 0 143.230 1.352 50 0 ADAARO CC(=O)[C@@H](C)C[NH+]1CCCCC1 39254859 166299819 /nfs/dbraw/zinc/29/98/19/166299819.db2.gz XIJZLEBKCZEQCP-VIFPVBQESA-N 1 0 169.268 1.697 50 0 ADAARO CC(=O)[C@@H]1CCCC[C@@H]1[NH3+] 34112107 166301756 /nfs/dbraw/zinc/30/17/56/166301756.db2.gz RSMJLVTUEVEHCL-YUMQZZPRSA-N 1 0 141.214 1.093 50 0 ADAARO CC(=O)[C@@H]1CCCC[C@H]1[NH3+] 34112111 166301915 /nfs/dbraw/zinc/30/19/15/166301915.db2.gz RSMJLVTUEVEHCL-JGVFFNPUSA-N 1 0 141.214 1.093 50 0 ADAARO CC(=O)[C@H](C)C[NH+]1CCCCC1 39254860 166305737 /nfs/dbraw/zinc/30/57/37/166305737.db2.gz XIJZLEBKCZEQCP-SECBINFHSA-N 1 0 169.268 1.697 50 0 ADAARO CC(=O)[C@H](C)[NH2+]C(C)(C)C 328454 166305938 /nfs/dbraw/zinc/30/59/38/166305938.db2.gz JSPAFIBWRAKWRY-LURJTMIESA-N 1 0 143.230 1.352 50 0 ADAARO CC(=O)[C@H](C)C[NH2+]C(C)(C)C 85409914 166307038 /nfs/dbraw/zinc/30/70/38/166307038.db2.gz KMSLCOBXGPOORI-SSDOTTSWSA-N 1 0 157.257 1.600 50 0 ADAARO CC(=O)[C@H](CC(C)C)C[NH+](C)C 71257435 166307285 /nfs/dbraw/zinc/30/72/85/166307285.db2.gz QCDJYGZCMGEQNF-SNVBAGLBSA-N 1 0 171.284 1.799 50 0 in-vitro ADAARO CC(=O)[C@H]([NH3+])Cc1ccccc1 1570964 166308693 /nfs/dbraw/zinc/30/86/93/166308693.db2.gz RTUDQBPZFFIRAD-SNVBAGLBSA-N 1 0 163.220 1.145 50 0 in-vitro ADAARO CC(=O)[C@H]1CCCC[C@@H]1[NH3+] 34112109 166309068 /nfs/dbraw/zinc/30/90/68/166309068.db2.gz RSMJLVTUEVEHCL-SFYZADRCSA-N 1 0 141.214 1.093 50 0 ADAARO CC(=O)[C@H]1CCCC[C@H]1[NH3+] 34112113 166309093 /nfs/dbraw/zinc/30/90/93/166309093.db2.gz RSMJLVTUEVEHCL-HTQZYQBOSA-N 1 0 141.214 1.093 50 0 ADAARO CC(=O)c1ccc2c(c1)C[NH2+]C2 58011966 166323839 /nfs/dbraw/zinc/32/38/39/166323839.db2.gz OHAHTIICBWYMFH-UHFFFAOYSA-N 1 0 161.204 1.492 50 0 in-vitro ADAARO CC(=O)c1ccc(OC2C[NH2+]C2)cc1 42769715 166323917 /nfs/dbraw/zinc/32/39/17/166323917.db2.gz YVTAVJKTZASBCZ-UHFFFAOYSA-N 1 0 191.230 1.240 50 0 ADAARO CC(=O)c1ccc2c(c1)C[NH2+]CCO2 40457320 166323987 /nfs/dbraw/zinc/32/39/87/166323987.db2.gz UGDDZIHTDHFYKY-UHFFFAOYSA-N 1 0 191.230 1.371 50 0 ADAARO CC(=O)c1ccc2c(c1)C[NH2+]CC2 13782656 166324078 /nfs/dbraw/zinc/32/40/78/166324078.db2.gz KKJBHMRJVQULAV-UHFFFAOYSA-N 1 0 175.231 1.535 50 0 ADAARO CC(=O)c1ccc([C@@H](C)[NH3+])cc1 19779739 166324352 /nfs/dbraw/zinc/32/43/52/166324352.db2.gz KOMCDPPOHOQBSF-SSDOTTSWSA-N 1 0 163.220 1.909 50 0 ADAARO CC(=O)c1ccc2c(c1)CC[NH2+]CC2 83255425 166325057 /nfs/dbraw/zinc/32/50/57/166325057.db2.gz BLWAYLLGQOLWQN-UHFFFAOYSA-N 1 0 189.258 1.577 50 0 in-vitro ADAARO CC(=O)c1ccc(C[NH3+])cc1 2524591 166325077 /nfs/dbraw/zinc/32/50/77/166325077.db2.gz SVUFTNBKCAMKND-UHFFFAOYSA-N 1 0 149.193 1.348 50 0 ADAARO CC(=O)c1ccc([C@H](C)[NH3+])cc1 19779740 166325316 /nfs/dbraw/zinc/32/53/16/166325316.db2.gz KOMCDPPOHOQBSF-ZETCQYMHSA-N 1 0 163.220 1.909 50 0 in-vitro ADAARO CC(=O)c1ccc(C[NH+](C)C)cc1 33487224 166325571 /nfs/dbraw/zinc/32/55/71/166325571.db2.gz QVUOUGMOYJKOPL-UHFFFAOYSA-N 1 0 177.247 1.951 50 0 in-vitro ADAARO CC(=O)c1ccc(C[NH3+])nc1C 34456111 166325749 /nfs/dbraw/zinc/32/57/49/166325749.db2.gz XVWVEGDNEWNSCI-UHFFFAOYSA-N 1 0 164.208 1.051 50 0 ADAARO CC(=O)c1ccc(NC(N)=[NH2+])cc1 29133009 166325939 /nfs/dbraw/zinc/32/59/39/166325939.db2.gz YZMGXQZYUREZKX-UHFFFAOYSA-N 1 0 177.207 1.195 50 0 in-vitro ADAARO CC(=O)c1ccc(CC[NH3+])cc1 19779689 166326124 /nfs/dbraw/zinc/32/61/24/166326124.db2.gz GHEAOCPXAWGVSO-UHFFFAOYSA-N 1 0 163.220 1.390 50 0 in-vitro ADAARO CC(=O)c1cccc(C[NH+](C)C)c1 75844362 166326866 /nfs/dbraw/zinc/32/68/66/166326866.db2.gz ICRBYQVYMPFREK-UHFFFAOYSA-N 1 0 177.247 1.951 50 0 ADAARO CC(=O)c1cccc(C[NH3+])c1 2524590 166327947 /nfs/dbraw/zinc/32/79/47/166327947.db2.gz SHKCBAQWXPAPLI-UHFFFAOYSA-N 1 0 149.193 1.348 50 0 in-vitro ADAARO CC(=O)c1ccccc1OC1C[NH2+]C1 42769711 166330810 /nfs/dbraw/zinc/33/08/10/166330810.db2.gz CGQDBZDPLMRGIP-UHFFFAOYSA-N 1 0 191.230 1.240 50 0 ADAARO CC(C)(Br)C[NH3+] 34584023 166338831 /nfs/dbraw/zinc/33/88/31/166338831.db2.gz SDVZYNVSZLYGTL-UHFFFAOYSA-N 1 0 152.035 1.119 50 0 ADAARO CC(C)(C(N)=[NH2+])C(F)(F)F 98209817 166342458 /nfs/dbraw/zinc/34/24/58/166342458.db2.gz JPARVMHNKFLSLH-UHFFFAOYSA-N 1 0 154.135 1.511 50 0 in-vitro ADAARO CC(C)(C)C(=O)NC[C@H]1CCC[NH2+]C1 6186687 166344710 /nfs/dbraw/zinc/34/47/10/166344710.db2.gz NAVGWFHUPSYDKG-VIFPVBQESA-N 1 0 198.310 1.148 50 0 in-vitro ADAARO CC(C)(C)C(=O)NC[C@@H]1CCC[NH2+]C1 6186686 166345576 /nfs/dbraw/zinc/34/55/76/166345576.db2.gz NAVGWFHUPSYDKG-SECBINFHSA-N 1 0 198.310 1.148 50 0 in-vitro ADAARO CC(C)(C)C(=O)N[C@H]1CC[C@@H]([NH3+])CC1 238126101 166346882 /nfs/dbraw/zinc/34/68/82/166346882.db2.gz DSIZCPZVGIMIFI-KYZUINATSA-N 1 0 198.310 1.419 50 0 in-vitro ADAARO CC(C)(C)C(F)(F)C[NH3+] 107258012 166347716 /nfs/dbraw/zinc/34/77/16/166347716.db2.gz OFSKHYWHXLXZQY-UHFFFAOYSA-N 1 0 137.173 1.627 50 0 ADAARO CC(C)(C)C1=CCN(CC[NH3+])CC1 95883868 166347802 /nfs/dbraw/zinc/34/78/02/166347802.db2.gz RNGUSROHDADMOW-UHFFFAOYSA-N 1 0 182.311 1.623 50 0 ADAARO CC(C)(C)CC(N)=[NH2+] 82673215 166347984 /nfs/dbraw/zinc/34/79/84/166347984.db2.gz LCCOGJXPFJFMPR-UHFFFAOYSA-N 1 0 114.192 1.359 50 0 in-vitro ADAARO CC(C)(C)C1([NH3+])CC1 54404918 166348274 /nfs/dbraw/zinc/34/82/74/166348274.db2.gz NCBGTDPAYKAHSZ-UHFFFAOYSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO CC(C)(C)C1=[NH+]CCN1 39319143 166348397 /nfs/dbraw/zinc/34/83/97/166348397.db2.gz BYDVQPRXDZABPW-UHFFFAOYSA-N 1 0 126.203 1.034 50 0 ADAARO CC(C)(C)C1(O)CC[NH2+]CC1 39240610 166348617 /nfs/dbraw/zinc/34/86/17/166348617.db2.gz BMPBHKNEDRNHJI-UHFFFAOYSA-N 1 0 157.257 1.147 50 0 ADAARO CC(C)(C)CC(=O)N1CCC([NH3+])CC1 19257869 166348632 /nfs/dbraw/zinc/34/86/32/166348632.db2.gz YONZZTAVHFWDKM-UHFFFAOYSA-N 1 0 198.310 1.372 50 0 ADAARO CC(C)(C)C1CCC(O)(C[NH3+])CC1 11755851 166349162 /nfs/dbraw/zinc/34/91/62/166349162.db2.gz AIQOODASXBPVLL-UHFFFAOYSA-N 1 0 185.311 1.913 50 0 in-vitro ADAARO CC(C)(C)C1=CC[NH2+]CC1 84327503 166349183 /nfs/dbraw/zinc/34/91/83/166349183.db2.gz XNTFFUPDYBDWCU-UHFFFAOYSA-N 1 0 139.242 1.952 50 0 in-vitro ADAARO CC(C)(C)C1CC([NH3+])C1 82047883 166349737 /nfs/dbraw/zinc/34/97/37/166349737.db2.gz WJAJWXKIHZNIQY-UHFFFAOYSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO CC(C)(C)CC(=O)NC1CC[NH2+]CC1 22210621 166349963 /nfs/dbraw/zinc/34/99/63/166349963.db2.gz VAYWDMOHBVHZMJ-UHFFFAOYSA-N 1 0 198.310 1.291 50 0 ADAARO CC(C)(C)C1C[NH2+]C1 108279838 166349987 /nfs/dbraw/zinc/34/99/87/166349987.db2.gz AAUOIOOJSYBVJK-UHFFFAOYSA-N 1 0 113.204 1.252 50 0 ADAARO CC(C)(C)C(C)(C)[NH3+] 3627635 166350009 /nfs/dbraw/zinc/35/00/09/166350009.db2.gz FGALPHNSQJNSNG-UHFFFAOYSA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO CC(C)(C)CC[NH3+] 6661317 166350691 /nfs/dbraw/zinc/35/06/91/166350691.db2.gz GPWHFPWZAPOYNO-UHFFFAOYSA-N 1 0 101.193 1.381 50 0 in-vitro ADAARO CC(C)(C)CC[NH+]1CCNCC1 36379782 166350863 /nfs/dbraw/zinc/35/08/63/166350863.db2.gz LFDFICUWQKREJW-UHFFFAOYSA-N 1 0 170.300 1.328 50 0 in-vitro ADAARO CC(C)(C)CC1([NH3+])CC1 49584832 166350903 /nfs/dbraw/zinc/35/09/03/166350903.db2.gz XTQGDVSTEZJTLK-UHFFFAOYSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO CC(C)(C)CC[C@@H]([NH3+])c1nnc[nH]1 83746155 166351018 /nfs/dbraw/zinc/35/10/18/166351018.db2.gz PXVPFZYLGGUSMK-SSDOTTSWSA-N 1 0 182.271 1.631 50 0 ADAARO CC(C)(C)CC[C@@H]([NH3+])CO 44466891 166351451 /nfs/dbraw/zinc/35/14/51/166351451.db2.gz ILOBVQJDGVEABB-SSDOTTSWSA-N 1 0 145.246 1.132 50 0 in-vitro ADAARO CC(C)(C)CC[C@H]([NH3+])CO 44466889 166351797 /nfs/dbraw/zinc/35/17/97/166351797.db2.gz ILOBVQJDGVEABB-ZETCQYMHSA-N 1 0 145.246 1.132 50 0 in-vitro ADAARO CC(C)(C)CC[C@H]([NH3+])c1nnc[nH]1 83746154 166351820 /nfs/dbraw/zinc/35/18/20/166351820.db2.gz PXVPFZYLGGUSMK-ZETCQYMHSA-N 1 0 182.271 1.631 50 0 ADAARO CC(C)(C)CCOCC[NH3+] 14628610 166351867 /nfs/dbraw/zinc/35/18/67/166351867.db2.gz VEGUVYJOAPADOI-UHFFFAOYSA-N 1 0 145.246 1.398 50 0 in-vitro ADAARO CC(C)(C)CCC(N)=[NH2+] 49254857 166351885 /nfs/dbraw/zinc/35/18/85/166351885.db2.gz RWDVJJOKONNKLN-UHFFFAOYSA-N 1 0 128.219 1.749 50 0 ADAARO CC(C)(C)C[N@@H+]1CC[C@H](N)C1 40494667 166352092 /nfs/dbraw/zinc/35/20/92/166352092.db2.gz YRQXDWWQIUUJOO-QMMMGPOBSA-N 1 0 156.273 1.066 50 0 ADAARO CC(C)(C)CCC[NH3+] 19673381 166352146 /nfs/dbraw/zinc/35/21/46/166352146.db2.gz MJOCCSXOVAVKFC-UHFFFAOYSA-N 1 0 115.220 1.771 50 0 in-vitro ADAARO CC(C)(C)C[N@@H+]1CC[C@@H](N)C1 40494668 166352324 /nfs/dbraw/zinc/35/23/24/166352324.db2.gz YRQXDWWQIUUJOO-MRVPVSSYSA-N 1 0 156.273 1.066 50 0 ADAARO CC(C)(C)CC[NH2+]CCO 37488695 166352571 /nfs/dbraw/zinc/35/25/71/166352571.db2.gz MJOCXMIFNYBINK-UHFFFAOYSA-N 1 0 145.246 1.005 50 0 ADAARO CC(C)(C)C[NH2+]C1CC1 36947934 166352891 /nfs/dbraw/zinc/35/28/91/166352891.db2.gz UQOJGEKHZBMSRC-UHFFFAOYSA-N 1 0 127.231 1.785 50 0 ADAARO CC(C)(C)C[NH2+]Cc1cnc[nH]1 54765151 166353214 /nfs/dbraw/zinc/35/32/14/166353214.db2.gz USODBAPCNBXPQP-UHFFFAOYSA-N 1 0 167.256 1.545 50 0 ADAARO CC(C)(C)C[NH2+]C[C@H]1CCCO1 37927453 166353464 /nfs/dbraw/zinc/35/34/64/166353464.db2.gz GERVARJZFCPUKW-SECBINFHSA-N 1 0 171.284 1.801 50 0 ADAARO CC(C)(C)C[NH2+]C[C@@H]1CCCO1 37927452 166353567 /nfs/dbraw/zinc/35/35/67/166353567.db2.gz GERVARJZFCPUKW-VIFPVBQESA-N 1 0 171.284 1.801 50 0 ADAARO CC(C)(C)C[NH2+]CCCO 41042264 166353958 /nfs/dbraw/zinc/35/39/58/166353958.db2.gz UYQWOMSXSLHMSJ-UHFFFAOYSA-N 1 0 145.246 1.005 50 0 in-vitro ADAARO CC(C)(C)COCC[NH3+] 12137829 166354553 /nfs/dbraw/zinc/35/45/53/166354553.db2.gz ZDJMCHYOZQIPLB-UHFFFAOYSA-N 1 0 131.219 1.008 50 0 ADAARO CC(C)(C)C[C@@H]1C[NH2+]CCO1 40449282 166355766 /nfs/dbraw/zinc/35/57/66/166355766.db2.gz ZZOVQLMZSVTWEL-MRVPVSSYSA-N 1 0 157.257 1.411 50 0 ADAARO CC(C)(C)C[C@@H]([NH3+])CCO 44233856 166356367 /nfs/dbraw/zinc/35/63/67/166356367.db2.gz QRTGHBWVLIUBDT-ZETCQYMHSA-N 1 0 145.246 1.132 50 0 ADAARO CC(C)(C)C[C@@H]1COCC[NH2+]1 82846211 166356893 /nfs/dbraw/zinc/35/68/93/166356893.db2.gz MSLLFXJTFRBPNM-MRVPVSSYSA-N 1 0 157.257 1.411 50 0 ADAARO CC(C)(C)C[C@H]([NH3+])CCO 44233853 166357393 /nfs/dbraw/zinc/35/73/93/166357393.db2.gz QRTGHBWVLIUBDT-SSDOTTSWSA-N 1 0 145.246 1.132 50 0 ADAARO CC(C)(C)C[C@H]1C[NH2+]CCO1 40449284 166357512 /nfs/dbraw/zinc/35/75/12/166357512.db2.gz ZZOVQLMZSVTWEL-QMMMGPOBSA-N 1 0 157.257 1.411 50 0 ADAARO CC(C)(C)C[C@H]1COCC[NH2+]1 82846212 166357699 /nfs/dbraw/zinc/35/76/99/166357699.db2.gz MSLLFXJTFRBPNM-QMMMGPOBSA-N 1 0 157.257 1.411 50 0 ADAARO CC(C)(C)[NH+]1CCC(=O)CC1 2004000 166359153 /nfs/dbraw/zinc/35/91/53/166359153.db2.gz NKPMJJGLSFUOPK-UHFFFAOYSA-N 1 0 155.241 1.450 50 0 in-vitro ADAARO CC(C)(C)[N@@H+]1CC[C@H](CO)C1 11892718 166359270 /nfs/dbraw/zinc/35/92/70/166359270.db2.gz XLGPTFIQKDNBAY-QMMMGPOBSA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO CC(C)(C)[N@@H+]1CC[C@@H](CO)C1 11892714 166360098 /nfs/dbraw/zinc/36/00/98/166360098.db2.gz XLGPTFIQKDNBAY-MRVPVSSYSA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO CC(C)(C)[NH+]1CCC(O)CC1 21990068 166360104 /nfs/dbraw/zinc/36/01/04/166360104.db2.gz QQBFZTKZYQFNHA-UHFFFAOYSA-N 1 0 157.257 1.242 50 0 in-vitro ADAARO CC(C)(C)[N@@H+]1CCCNCC1 39947591 166360601 /nfs/dbraw/zinc/36/06/01/166360601.db2.gz NFTNAOZWHAOMPK-UHFFFAOYSA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO CC(C)(C)N(CC[NH3+])Cc1ccco1 45796278 166360898 /nfs/dbraw/zinc/36/08/98/166360898.db2.gz JLXGLKKSXIDITH-UHFFFAOYSA-N 1 0 196.294 1.839 50 0 ADAARO CC(C)(C)N1C=[N+](C(C)(C)C)CC1 1639394 166361042 /nfs/dbraw/zinc/36/10/42/166361042.db2.gz YYCADXIEDQKBBF-UHFFFAOYSA-N 1 0 183.319 1.940 50 0 in-vitro ADAARO CC(C)(C)[NH2+]CC(=O)C(C)(C)C 1296210 166362133 /nfs/dbraw/zinc/36/21/33/166362133.db2.gz SZPHKILITFJYGM-UHFFFAOYSA-N 1 0 171.284 1.990 50 0 ADAARO CC(C)(C)[NH2+]CCCCCO 1598625 166362557 /nfs/dbraw/zinc/36/25/57/166362557.db2.gz HMGZRKISKAGOCK-UHFFFAOYSA-N 1 0 159.273 1.537 50 0 ADAARO CC(C)(C)NC(=O)[C@@H]1CCCC[NH2+]1 6357275 166362844 /nfs/dbraw/zinc/36/28/44/166362844.db2.gz BZRGONFHSWNSQA-QMMMGPOBSA-N 1 0 184.283 1.043 50 0 in-vivo ADAARO CC(C)(C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 263624099 166362963 /nfs/dbraw/zinc/36/29/63/166362963.db2.gz NIZBFQAWDNPTHQ-KYZUINATSA-N 1 0 198.310 1.419 50 0 ADAARO CC(C)(C)NC(=O)[C@H]1CCCC[NH2+]1 6357278 166363519 /nfs/dbraw/zinc/36/35/19/166363519.db2.gz BZRGONFHSWNSQA-MRVPVSSYSA-N 1 0 184.283 1.043 50 0 in-vitro ADAARO CC(C)(C)Nc1ccc(C(N)=[NH2+])nc1 95218165 166364481 /nfs/dbraw/zinc/36/44/81/166364481.db2.gz WNSIPMILLUANMH-UHFFFAOYSA-N 1 0 192.266 1.576 50 0 ADAARO CC(C)(C)[NH2+]Cc1cccnc1 5817175 166365689 /nfs/dbraw/zinc/36/56/89/166365689.db2.gz QSDPAWDWCPJGAE-UHFFFAOYSA-N 1 0 164.252 1.970 50 0 in-vitro ADAARO CC(C)(C)[NH2+]CCNC1CC1 39712275 166365978 /nfs/dbraw/zinc/36/59/78/166365978.db2.gz JTFXZMAKBGEJNY-UHFFFAOYSA-N 1 0 156.273 1.127 50 0 ADAARO CC(C)(C)[NH2+]Cc1ccncc1 5817177 166366142 /nfs/dbraw/zinc/36/61/42/166366142.db2.gz UGLYNSYFPJUZTG-UHFFFAOYSA-N 1 0 164.252 1.970 50 0 in-vitro ADAARO CC(C)(C)[NH2+]Cc1ccccn1 6858815 166366247 /nfs/dbraw/zinc/36/62/47/166366247.db2.gz SZUFARVXWKYOMG-UHFFFAOYSA-N 1 0 164.252 1.970 50 0 in-vitro ADAARO CC(C)(C)[NH2+][C@@H]1CCC[C@H]1O 1668948 166366744 /nfs/dbraw/zinc/36/67/44/166366744.db2.gz QERSUMFLRHQPON-HTQZYQBOSA-N 1 0 157.257 1.288 50 0 ADAARO CC(C)(C)[NH2+]CCCCO 39235879 166366774 /nfs/dbraw/zinc/36/67/74/166366774.db2.gz NJHLILWJNXPORW-UHFFFAOYSA-N 1 0 145.246 1.147 50 0 ADAARO CC(C)(C)Nc1cccc(C(N)=[NH2+])n1 81621166 166366972 /nfs/dbraw/zinc/36/69/72/166366972.db2.gz XYWCYXAQSLVIMI-UHFFFAOYSA-N 1 0 192.266 1.576 50 0 in-vitro ADAARO CC(C)(C)[NH2+][C@H]1CCCC[C@@H]1O 37871043 166367000 /nfs/dbraw/zinc/36/70/00/166367000.db2.gz HEVRPBBGMVDMDN-IUCAKERBSA-N 1 0 171.284 1.678 50 0 ADAARO CC(C)(C)OC(=O)CCCC[NH3+] 39074526 166367558 /nfs/dbraw/zinc/36/75/58/166367558.db2.gz ZJUJPZBBBNJPTI-UHFFFAOYSA-N 1 0 173.256 1.457 50 0 in-vitro ADAARO CC(C)(C)OC(=O)CC1([NH3+])CCCC1 82771124 166367566 /nfs/dbraw/zinc/36/75/66/166367566.db2.gz YQWLBOHDDLMKJV-UHFFFAOYSA-N 1 0 199.294 1.990 50 0 ADAARO CC(C)(C)OC(=O)C(C)(C)C[NH3+] 95347973 166367632 /nfs/dbraw/zinc/36/76/32/166367632.db2.gz MPMSYSWHOWKMSF-UHFFFAOYSA-N 1 0 173.256 1.313 50 0 in-vitro ADAARO CC(C)(C)OC(=O)CC1CC[NH2+]CC1 71244523 166367719 /nfs/dbraw/zinc/36/77/19/166367719.db2.gz HIAIZEPNWNXJBP-UHFFFAOYSA-N 1 0 199.294 1.718 50 0 in-vitro ADAARO CC(C)(C)OC(=O)C(C)(C)[NH3+] 58436747 166367734 /nfs/dbraw/zinc/36/77/34/166367734.db2.gz LSVYCJILORYVCD-UHFFFAOYSA-N 1 0 159.229 1.065 50 0 in-vitro ADAARO CC(C)(C)OC(=O)C[C@H]1CCC[NH2+]C1 54301758 166367743 /nfs/dbraw/zinc/36/77/43/166367743.db2.gz MYZXTEBXGUOQNS-SECBINFHSA-N 1 0 199.294 1.718 50 0 ADAARO CC(C)(C)OC(=O)CCC[NH3+] 2562532 166367833 /nfs/dbraw/zinc/36/78/33/166367833.db2.gz XFZZZOMHBHBURH-UHFFFAOYSA-N 1 0 159.229 1.067 50 0 in-vitro ADAARO CC(C)(C)OC(=O)CCCCC[NH3+] 37729899 166367881 /nfs/dbraw/zinc/36/78/81/166367881.db2.gz ARKHCHKVZVMJRX-UHFFFAOYSA-N 1 0 187.283 1.847 50 0 in-vitro ADAARO CC(C)(C)OC(=O)N1CCC[C@H]1[NH3+] 20357613 166368021 /nfs/dbraw/zinc/36/80/21/166368021.db2.gz CPLOPRLMGUANHZ-ZETCQYMHSA-N 1 0 186.255 1.302 50 0 ADAARO CC(C)(C)OC(=O)C1([NH3+])CCCC1 34239499 166368064 /nfs/dbraw/zinc/36/80/64/166368064.db2.gz KTYIEPAXQWLADO-UHFFFAOYSA-N 1 0 185.267 1.600 50 0 ADAARO CC(C)(C)OC(=O)NC12CC([NH3+])(C1)C2 230569723 166368133 /nfs/dbraw/zinc/36/81/33/166368133.db2.gz WDWZFRPJPZEOBM-UHFFFAOYSA-N 1 0 198.266 1.145 50 0 in-vitro ADAARO CC(C)(C)OC(=O)CC[NH2+]C1CC1 34928676 166368273 /nfs/dbraw/zinc/36/82/73/166368273.db2.gz ZSBLSLJFWXBYHV-UHFFFAOYSA-N 1 0 185.267 1.470 50 0 ADAARO CC(C)(C)OC(=O)C1([NH3+])CCCCC1 37729896 166368540 /nfs/dbraw/zinc/36/85/40/166368540.db2.gz JGQSREKJPFNXQH-UHFFFAOYSA-N 1 0 199.294 1.990 50 0 ADAARO CC(C)(C)OC(=O)C[C@@H]1CCC[NH2+]C1 54301756 166368626 /nfs/dbraw/zinc/36/86/26/166368626.db2.gz MYZXTEBXGUOQNS-VIFPVBQESA-N 1 0 199.294 1.718 50 0 ADAARO CC(C)(C)OC(=O)C1(C)CC[NH2+]CC1 62842505 166368651 /nfs/dbraw/zinc/36/86/51/166368651.db2.gz LCYTVQCCTFSJQX-UHFFFAOYSA-N 1 0 199.294 1.718 50 0 ADAARO CC(C)(C)OC(=O)C[C@H]1CCC[NH2+]1 42164186 166368749 /nfs/dbraw/zinc/36/87/49/166368749.db2.gz ATXGOHFUKJHAJB-MRVPVSSYSA-N 1 0 185.267 1.470 50 0 in-vitro ADAARO CC(C)(C)OC(=O)C1CC[NH2+]CC1 4202757 166368771 /nfs/dbraw/zinc/36/87/71/166368771.db2.gz FUYBPBOHNIHCHM-UHFFFAOYSA-N 1 0 185.267 1.328 50 0 in-vitro ADAARO CC(C)(C)OC(=O)C[C@@H]1CCC[NH2+]1 38266263 166368812 /nfs/dbraw/zinc/36/88/12/166368812.db2.gz ATXGOHFUKJHAJB-QMMMGPOBSA-N 1 0 185.267 1.470 50 0 in-vitro ADAARO CC(C)(C)OC(=O)N1CCC[C@@H]1[NH3+] 20357612 166368880 /nfs/dbraw/zinc/36/88/80/166368880.db2.gz CPLOPRLMGUANHZ-SSDOTTSWSA-N 1 0 186.255 1.302 50 0 ADAARO CC(C)(C)OC(=O)NC1(C[NH3+])CC1 66348021 166369084 /nfs/dbraw/zinc/36/90/84/166369084.db2.gz RPSISDKVKZYNRL-UHFFFAOYSA-N 1 0 186.255 1.002 50 0 in-vitro ADAARO CC(C)(C)OC(=O)C1CC([NH3+])C1 40449749 166369094 /nfs/dbraw/zinc/36/90/94/166369094.db2.gz KNRNVMUJMBOCRF-UHFFFAOYSA-N 1 0 171.240 1.065 50 0 ADAARO CC(C)(C)OC(=O)C1CCC([NH3+])CC1 37729936 166369153 /nfs/dbraw/zinc/36/91/53/166369153.db2.gz XDTZRQLZSNTGSM-UHFFFAOYSA-N 1 0 199.294 1.846 50 0 in-vitro ADAARO CC(C)(C)OC(=O)C[C@@H]1CC[NH2+]C1 67176195 166369161 /nfs/dbraw/zinc/36/91/61/166369161.db2.gz IBIYBQSFAAAGKD-QMMMGPOBSA-N 1 0 185.267 1.328 50 0 in-vitro ADAARO CC(C)(C)OC(=O)NC/C=C/C[NH3+] 39094553 166369180 /nfs/dbraw/zinc/36/91/80/166369180.db2.gz BWNIUPOJWUXWMX-SNAWJCMRSA-N 1 0 186.255 1.026 50 0 in-vitro ADAARO CC(C)(C)OC(=O)C[C@H]1CC[NH2+]C1 67176196 166369183 /nfs/dbraw/zinc/36/91/83/166369183.db2.gz IBIYBQSFAAAGKD-MRVPVSSYSA-N 1 0 185.267 1.328 50 0 in-vitro ADAARO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH3+])C1 100081663 166369733 /nfs/dbraw/zinc/36/97/33/166369733.db2.gz OPDOEOOBYOABCJ-LJGSYFOKSA-N 1 0 186.255 1.001 50 0 in-vitro ADAARO CC(C)(C)OC(=O)[C@@H]1CCC[C@H]([NH3+])C1 19738627 166369787 /nfs/dbraw/zinc/36/97/87/166369787.db2.gz MDFWHHAKFURWJC-BDAKNGLRSA-N 1 0 199.294 1.846 50 0 ADAARO CC(C)(C)OC(=O)NCCCC[NH3+] 2557989 166369884 /nfs/dbraw/zinc/36/98/84/166369884.db2.gz ZFQWJXFJJZUVPI-UHFFFAOYSA-N 1 0 188.271 1.250 50 0 in-vitro ADAARO CC(C)(C)OC(=O)[C@H]1CC[C@@H]([NH3+])CC1 100444491 166369909 /nfs/dbraw/zinc/36/99/09/166369909.db2.gz XDTZRQLZSNTGSM-KYZUINATSA-N 1 0 199.294 1.846 50 0 ADAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1[NH3+] 83255279 166369968 /nfs/dbraw/zinc/36/99/68/166369968.db2.gz QEVWCEYVNCWPKJ-RNFRBKRXSA-N 1 0 186.255 1.001 50 0 ADAARO CC(C)(C)OC(=O)[C@H]1CCCC[C@H]1[NH3+] 39084660 166370290 /nfs/dbraw/zinc/37/02/90/166370290.db2.gz HFRHUFPCVALQOE-DTWKUNHWSA-N 1 0 199.294 1.846 50 0 ADAARO CC(C)(C)OC(=O)[C@@]1(C)CCC[NH2+]1 70618292 166370311 /nfs/dbraw/zinc/37/03/11/166370311.db2.gz WAOBLRSJQYXNJU-SNVBAGLBSA-N 1 0 185.267 1.470 50 0 ADAARO CC(C)(C)OC(=O)[C@@H]1CCC[NH2+]1 4899452 166370369 /nfs/dbraw/zinc/37/03/69/166370369.db2.gz XJJBXZIKXFOMLP-ZETCQYMHSA-N 1 0 171.240 1.080 50 0 in-vitro ADAARO CC(C)(C)OC(=O)[C@]1(C)CC[NH2+]C1 62920011 166370452 /nfs/dbraw/zinc/37/04/52/166370452.db2.gz BFADEDYJKXBUPD-SNVBAGLBSA-N 1 0 185.267 1.328 50 0 ADAARO CC(C)(C)OC(=O)NCC1([NH3+])CC1 95635172 166370558 /nfs/dbraw/zinc/37/05/58/166370558.db2.gz YSKANSLBXDBPSZ-UHFFFAOYSA-N 1 0 186.255 1.002 50 0 in-vitro ADAARO CC(C)(C)OC(=O)[C@@]1(C)CC[NH2+]C1 62920009 166370666 /nfs/dbraw/zinc/37/06/66/166370666.db2.gz BFADEDYJKXBUPD-JTQLQIEISA-N 1 0 185.267 1.328 50 0 ADAARO CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 19738625 166371062 /nfs/dbraw/zinc/37/10/62/166371062.db2.gz MDFWHHAKFURWJC-RKDXNWHRSA-N 1 0 199.294 1.846 50 0 ADAARO CC(C)(C)OC(=O)N[C@H]1CC[C@H]1[NH3+] 83255281 166371136 /nfs/dbraw/zinc/37/11/36/166371136.db2.gz QEVWCEYVNCWPKJ-RQJHMYQMSA-N 1 0 186.255 1.001 50 0 ADAARO CC(C)(C)OC(=O)[C@H]1CCC[NH2+]C1 4202780 166371305 /nfs/dbraw/zinc/37/13/05/166371305.db2.gz RHNAXBBEIVHVQT-QMMMGPOBSA-N 1 0 185.267 1.328 50 0 in-vitro ADAARO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1[NH3+] 26461062 166371322 /nfs/dbraw/zinc/37/13/22/166371322.db2.gz QEVWCEYVNCWPKJ-BQBZGAKWSA-N 1 0 186.255 1.001 50 0 ADAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1[NH3+] 83255277 166371337 /nfs/dbraw/zinc/37/13/37/166371337.db2.gz QEVWCEYVNCWPKJ-NKWVEPMBSA-N 1 0 186.255 1.001 50 0 ADAARO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH3+])C1 248023623 166371341 /nfs/dbraw/zinc/37/13/41/166371341.db2.gz KNRNVMUJMBOCRF-KNVOCYPGSA-N 1 0 171.240 1.065 50 0 ADAARO CC(C)(C)OC(=O)[C@@H]1CCC[NH2+]C1 2525408 166371396 /nfs/dbraw/zinc/37/13/96/166371396.db2.gz RHNAXBBEIVHVQT-MRVPVSSYSA-N 1 0 185.267 1.328 50 0 in-vitro ADAARO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH3+])C1 100081655 166371448 /nfs/dbraw/zinc/37/14/48/166371448.db2.gz KNRNVMUJMBOCRF-LJGSYFOKSA-N 1 0 171.240 1.065 50 0 ADAARO CC(C)(C)OC(=O)NC1CC([NH3+])C1 20285670 166371462 /nfs/dbraw/zinc/37/14/62/166371462.db2.gz OPDOEOOBYOABCJ-UHFFFAOYSA-N 1 0 186.255 1.001 50 0 ADAARO CC(C)(C)OC(=O)[C@H]1CCC[C@@H]([NH3+])C1 19738626 166371537 /nfs/dbraw/zinc/37/15/37/166371537.db2.gz MDFWHHAKFURWJC-DTWKUNHWSA-N 1 0 199.294 1.846 50 0 ADAARO CC(C)(C)OC(=O)[C@H]1CCC[C@H]([NH3+])C1 19738628 166371583 /nfs/dbraw/zinc/37/15/83/166371583.db2.gz MDFWHHAKFURWJC-IUCAKERBSA-N 1 0 199.294 1.846 50 0 ADAARO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH3+])C1 100055228 166371622 /nfs/dbraw/zinc/37/16/22/166371622.db2.gz OPDOEOOBYOABCJ-KNVOCYPGSA-N 1 0 186.255 1.001 50 0 ADAARO CC(C)(C)OC(=O)[C@H]1CCC[NH2+]1 156852 166371734 /nfs/dbraw/zinc/37/17/34/166371734.db2.gz XJJBXZIKXFOMLP-SSDOTTSWSA-N 1 0 171.240 1.080 50 0 in-vitro ADAARO CC(C)(C)OC1CC([NH3+])C1 85523154 166372325 /nfs/dbraw/zinc/37/23/25/166372325.db2.gz VNXATMQWBUQNDJ-UHFFFAOYSA-N 1 0 143.230 1.291 50 0 in-vitro ADAARO CC(C)(C)O[C@@H]1C[C@H]([NH3+])C1(C)C 85523108 166373022 /nfs/dbraw/zinc/37/30/22/166373022.db2.gz XBYKLHIJRIEJOA-JGVFFNPUSA-N 1 0 171.284 1.927 50 0 ADAARO CC(C)(C)O[C@@H]1C[C@@H]([NH3+])C1(C)C 85523105 166373099 /nfs/dbraw/zinc/37/30/99/166373099.db2.gz XBYKLHIJRIEJOA-HTQZYQBOSA-N 1 0 171.284 1.927 50 0 ADAARO CC(C)(C)O[C@H]1C[C@@H]([NH3+])C1(C)C 85523100 166373111 /nfs/dbraw/zinc/37/31/11/166373111.db2.gz XBYKLHIJRIEJOA-SFYZADRCSA-N 1 0 171.284 1.927 50 0 ADAARO CC(C)(C)Oc1ccc(C(N)=[NH2+])nc1 82164062 166373262 /nfs/dbraw/zinc/37/32/62/166373262.db2.gz WHNOFCXSEJBYCU-UHFFFAOYSA-N 1 0 193.250 1.543 50 0 ADAARO CC(C)(C)Oc1cccc(CC[NH3+])n1 44398280 166373438 /nfs/dbraw/zinc/37/34/38/166373438.db2.gz OHSDJXXTSIGPBE-UHFFFAOYSA-N 1 0 194.278 1.760 50 0 in-vitro ADAARO CC(C)(C)O[C@@H]1CC[NH2+]C1 51783827 166373442 /nfs/dbraw/zinc/37/34/42/166373442.db2.gz KUXRXZFYHVZKAN-SSDOTTSWSA-N 1 0 143.230 1.163 50 0 ADAARO CC(C)(C)O[C@H]1C[C@H]([NH3+])C1(C)C 85523102 166373728 /nfs/dbraw/zinc/37/37/28/166373728.db2.gz XBYKLHIJRIEJOA-YUMQZZPRSA-N 1 0 171.284 1.927 50 0 ADAARO CC(C)(C)OC[C@H]1CCCC[NH2+]1 39147793 166373806 /nfs/dbraw/zinc/37/38/06/166373806.db2.gz ASJCXTCMGFTDOY-SECBINFHSA-N 1 0 171.284 1.944 50 0 ADAARO CC(C)(C)O[C@H]1CC[NH2+]C1 51783828 166373819 /nfs/dbraw/zinc/37/38/19/166373819.db2.gz KUXRXZFYHVZKAN-ZETCQYMHSA-N 1 0 143.230 1.163 50 0 ADAARO CC(C)(C)OCCC[NH3+] 2583988 166374154 /nfs/dbraw/zinc/37/41/54/166374154.db2.gz BZCSKDXOXIUCSS-UHFFFAOYSA-N 1 0 131.219 1.150 50 0 in-vitro ADAARO CC(C)(C)O[C@H]1C[C@@H]([NH3+])C1 306774354 166374201 /nfs/dbraw/zinc/37/42/01/166374201.db2.gz VNXATMQWBUQNDJ-KNVOCYPGSA-N 1 0 143.230 1.291 50 0 ADAARO CC(C)(C)OC1CC(CC[NH3+])C1 98095319 166374234 /nfs/dbraw/zinc/37/42/34/166374234.db2.gz QNYQPLFDDKFUCH-UHFFFAOYSA-N 1 0 171.284 1.929 50 0 ADAARO CC(C)(C)OC1CC[NH2+]CC1 20516846 166374302 /nfs/dbraw/zinc/37/43/02/166374302.db2.gz FOANNJQFHJONSC-UHFFFAOYSA-N 1 0 157.257 1.554 50 0 in-vitro ADAARO CC(C)(C)OC[C@@H]1CCCC[NH2+]1 39017571 166374355 /nfs/dbraw/zinc/37/43/55/166374355.db2.gz ASJCXTCMGFTDOY-VIFPVBQESA-N 1 0 171.284 1.944 50 0 ADAARO CC(C)(C)Oc1cnccc1C[NH3+] 162464084 166375025 /nfs/dbraw/zinc/37/50/25/166375025.db2.gz SYXLDTFPGQFDRX-UHFFFAOYSA-N 1 0 180.251 1.718 50 0 ADAARO CC(C)(C)Oc1ncccc1C[NH3+] 1494966 166375055 /nfs/dbraw/zinc/37/50/55/166375055.db2.gz YASWEPDVXCKCPE-UHFFFAOYSA-N 1 0 180.251 1.718 50 0 in-vitro ADAARO CC(C)(C)[C@@H]1C[C@H]([NH3+])CCO1 69851145 166375570 /nfs/dbraw/zinc/37/55/70/166375570.db2.gz SCFYAMLANWTHKN-SFYZADRCSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO CC(C)(C)[C@@H]1CCC[NH2+]1 2582571 166375743 /nfs/dbraw/zinc/37/57/43/166375743.db2.gz IQJZUYFOSMJZSV-ZETCQYMHSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO CC(C)(C)[C@@H](O)C[NH+]1CCCC1 106421 166375769 /nfs/dbraw/zinc/37/57/69/166375769.db2.gz YGCSCXDFYNEGKS-VIFPVBQESA-N 1 0 171.284 1.489 50 0 ADAARO CC(C)(C)[C@@H]([NH3+])c1ncccn1 52231936 166376079 /nfs/dbraw/zinc/37/60/79/166376079.db2.gz ILZIFTUNFIBPMJ-ZETCQYMHSA-N 1 0 165.240 1.523 50 0 ADAARO CC(C)(C)[C@@H]1CCOCC[NH2+]1 82846201 166376372 /nfs/dbraw/zinc/37/63/72/166376372.db2.gz UTUNOEGXMZRTGB-QMMMGPOBSA-N 1 0 157.257 1.411 50 0 ADAARO CC(C)(C)[C@@H]1C[C@@H]([NH3+])CCO1 69851148 166376877 /nfs/dbraw/zinc/37/68/77/166376877.db2.gz SCFYAMLANWTHKN-YUMQZZPRSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO CC(C)(C)[C@@H]1CC[NH2+]C[C@@H]1O 95218242 166377140 /nfs/dbraw/zinc/37/71/40/166377140.db2.gz MLSOMJXYSKJLAZ-SFYZADRCSA-N 1 0 157.257 1.003 50 0 in-vitro ADAARO CC(C)(C)[C@@H]1CC[NH2+]C1 77101489 166377179 /nfs/dbraw/zinc/37/71/79/166377179.db2.gz LMVHALAYUBESJG-SSDOTTSWSA-N 1 0 127.231 1.642 50 0 in-vitro ADAARO CC(C)(C)[C@@H]1C[NH2+]CCO1 37405062 166377308 /nfs/dbraw/zinc/37/73/08/166377308.db2.gz DDGWWGFLUBJYAT-ZETCQYMHSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO CC(C)(C)[C@@H]1CC[NH2+]C[C@H]1O 95218246 166377557 /nfs/dbraw/zinc/37/75/57/166377557.db2.gz MLSOMJXYSKJLAZ-HTQZYQBOSA-N 1 0 157.257 1.003 50 0 in-vitro ADAARO CC(C)(C)[C@H]([NH3+])Cn1cccn1 4127193 166378063 /nfs/dbraw/zinc/37/80/63/166378063.db2.gz UCFRIJLZCCWFHR-MRVPVSSYSA-N 1 0 167.256 1.257 50 0 in-vitro ADAARO CC(C)(C)[C@H]([NH3+])COC(F)(F)F 68576570 166378069 /nfs/dbraw/zinc/37/80/69/166378069.db2.gz WMQCNSPADBNHFT-RXMQYKEDSA-N 1 0 185.189 1.896 50 0 ADAARO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH3+] 68575677 166378189 /nfs/dbraw/zinc/37/81/89/166378189.db2.gz CTUAMZLRSKWXDN-DTWKUNHWSA-N 1 0 171.284 1.786 50 0 in-vitro ADAARO CC(C)(C)[C@H]([NH3+])Cn1ccnc1 111472 166378417 /nfs/dbraw/zinc/37/84/17/166378417.db2.gz LBMYOBPKNFXLIA-MRVPVSSYSA-N 1 0 167.256 1.257 50 0 in-vitro ADAARO CC(C)(C)[C@@H]1OCC[C@H]1C[NH3+] 68593746 166378587 /nfs/dbraw/zinc/37/85/87/166378587.db2.gz JIPFBCZZZJBRER-JGVFFNPUSA-N 1 0 157.257 1.396 50 0 ADAARO CC(C)(C)[C@H]([NH3+])c1ncccn1 52231932 166379087 /nfs/dbraw/zinc/37/90/87/166379087.db2.gz ILZIFTUNFIBPMJ-SSDOTTSWSA-N 1 0 165.240 1.523 50 0 ADAARO CC(C)(C)[C@H](O)C[NH+]1CCCC1 106416 166379328 /nfs/dbraw/zinc/37/93/28/166379328.db2.gz YGCSCXDFYNEGKS-SECBINFHSA-N 1 0 171.284 1.489 50 0 ADAARO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH3+] 68575683 166379585 /nfs/dbraw/zinc/37/95/85/166379585.db2.gz CTUAMZLRSKWXDN-RKDXNWHRSA-N 1 0 171.284 1.786 50 0 in-vitro ADAARO CC(C)(C)[C@H](N)C[NH+]1CCCC1 32445495 166379753 /nfs/dbraw/zinc/37/97/53/166379753.db2.gz IWODVMXFHKPVBD-SECBINFHSA-N 1 0 170.300 1.456 50 0 ADAARO CC(C)(C)[C@@H]1OCC[C@@H]1C[NH3+] 68593751 166379930 /nfs/dbraw/zinc/37/99/30/166379930.db2.gz JIPFBCZZZJBRER-HTQZYQBOSA-N 1 0 157.257 1.396 50 0 ADAARO CC(C)(C)[C@H]1CC[NH2+]C[C@H]1O 95218248 166380413 /nfs/dbraw/zinc/38/04/13/166380413.db2.gz MLSOMJXYSKJLAZ-JGVFFNPUSA-N 1 0 157.257 1.003 50 0 in-vitro ADAARO CC(C)(C)[C@H]1C[C@H]([NH3+])CCO1 69851147 166380493 /nfs/dbraw/zinc/38/04/93/166380493.db2.gz SCFYAMLANWTHKN-HTQZYQBOSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO CC(C)(C)[C@H]1OCCC[C@@H]1C[NH3+] 68575680 166380538 /nfs/dbraw/zinc/38/05/38/166380538.db2.gz CTUAMZLRSKWXDN-BDAKNGLRSA-N 1 0 171.284 1.786 50 0 in-vitro ADAARO CC(C)(C)[C@H]1C[N@@H+]2CCC[C@@H]2CN1 72233257 166380831 /nfs/dbraw/zinc/38/08/31/166380831.db2.gz ZOFVPYVMEVJPGS-NXEZZACHSA-N 1 0 182.311 1.469 50 0 ADAARO CC(C)(C)[C@H]1OCC[C@@H]1C[NH3+] 68593750 166380864 /nfs/dbraw/zinc/38/08/64/166380864.db2.gz JIPFBCZZZJBRER-SFYZADRCSA-N 1 0 157.257 1.396 50 0 ADAARO CC(C)(C)[C@H]1CCC[NH2+]1 3732219 166380969 /nfs/dbraw/zinc/38/09/69/166380969.db2.gz IQJZUYFOSMJZSV-SSDOTTSWSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO CC(C)(C)[C@H]1CCOCC[NH2+]1 82846203 166380975 /nfs/dbraw/zinc/38/09/75/166380975.db2.gz UTUNOEGXMZRTGB-MRVPVSSYSA-N 1 0 157.257 1.411 50 0 ADAARO CC(C)(C)[C@H]1CC[NH2+]C[C@@H]1O 95218244 166380994 /nfs/dbraw/zinc/38/09/94/166380994.db2.gz MLSOMJXYSKJLAZ-YUMQZZPRSA-N 1 0 157.257 1.003 50 0 in-vitro ADAARO CC(C)(C)[C@H]1CC[NH2+]C1 34060355 166381049 /nfs/dbraw/zinc/38/10/49/166381049.db2.gz LMVHALAYUBESJG-ZETCQYMHSA-N 1 0 127.231 1.642 50 0 in-vitro ADAARO CC(C)(C)[C@H]1C[C@@H]([NH3+])CCO1 69851149 166381322 /nfs/dbraw/zinc/38/13/22/166381322.db2.gz SCFYAMLANWTHKN-JGVFFNPUSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO CC(C)(C)[C@H]1OCC[C@H]1C[NH3+] 68593741 166381802 /nfs/dbraw/zinc/38/18/02/166381802.db2.gz JIPFBCZZZJBRER-YUMQZZPRSA-N 1 0 157.257 1.396 50 0 ADAARO CC(C)(C)[C@H]1C[N@@H+]2CCC[C@H]2CN1 72233258 166381949 /nfs/dbraw/zinc/38/19/49/166381949.db2.gz ZOFVPYVMEVJPGS-VHSXEESVSA-N 1 0 182.311 1.469 50 0 ADAARO CC(C)(C)[C@H]1OCCC[C@H]1C[NH3+] 68575676 166381963 /nfs/dbraw/zinc/38/19/63/166381963.db2.gz CTUAMZLRSKWXDN-IUCAKERBSA-N 1 0 171.284 1.786 50 0 in-vitro ADAARO CC(C)(C)c1cc(C[NH3+])on1 69970159 166382696 /nfs/dbraw/zinc/38/26/96/166382696.db2.gz RVDSUZZDSIKIBX-UHFFFAOYSA-N 1 0 154.213 1.431 50 0 ADAARO CC(C)(C)c1cc(N)cc[nH+]1 331970 166383047 /nfs/dbraw/zinc/38/30/47/166383047.db2.gz CHJHJHNACZQLTN-UHFFFAOYSA-N 1 0 150.225 1.961 50 0 in-vitro ADAARO CC(C)(C)c1ccc(NN)[nH+]n1 34071299 166383149 /nfs/dbraw/zinc/38/31/49/166383149.db2.gz KINKITHTVMJPGU-UHFFFAOYSA-N 1 0 166.228 1.060 50 0 ADAARO CC(C)(C)c1ccc([C@@H](O)C[NH3+])cc1 11802894 166383247 /nfs/dbraw/zinc/38/32/47/166383247.db2.gz NVKUZDMGMJAVBL-NSHDSACASA-N 1 0 193.290 1.976 50 0 in-vitro ADAARO CC(C)(C)c1ccc([C@H]([NH3+])CO)cc1 34384603 166383324 /nfs/dbraw/zinc/38/33/24/166383324.db2.gz TXUFIGBVDCUITR-LLVKDONJSA-N 1 0 193.290 1.976 50 0 ADAARO CC(C)(C)c1c[nH]c(N)[nH+]1 95079389 166383833 /nfs/dbraw/zinc/38/38/33/166383833.db2.gz MNIQADNVKFMQTC-UHFFFAOYSA-N 1 0 139.202 1.289 50 0 ADAARO CC(C)(C)c1cc(C[NH3+])no1 57476745 166383919 /nfs/dbraw/zinc/38/39/19/166383919.db2.gz YAMMAECNHGLFOL-UHFFFAOYSA-N 1 0 154.213 1.431 50 0 ADAARO CC(C)(C)c1ccc([C@@H]([NH3+])CO)cc1 34384604 166384058 /nfs/dbraw/zinc/38/40/58/166384058.db2.gz TXUFIGBVDCUITR-NSHDSACASA-N 1 0 193.290 1.976 50 0 ADAARO CC(C)(C)c1ccc(C(N)=[NH2+])cn1 95218282 166384068 /nfs/dbraw/zinc/38/40/68/166384068.db2.gz MXWBPBJOIJAMJD-UHFFFAOYSA-N 1 0 177.251 1.663 50 0 in-vitro ADAARO CC(C)(C)c1ccc(C[NH3+])c(=O)[nH]1 43404380 166384152 /nfs/dbraw/zinc/38/41/52/166384152.db2.gz ILNJVVJBDBJDNL-UHFFFAOYSA-N 1 0 180.251 1.131 50 0 in-vitro ADAARO CC(C)(C)c1ccc([C@H](O)C[NH3+])cc1 11802895 166384278 /nfs/dbraw/zinc/38/42/78/166384278.db2.gz NVKUZDMGMJAVBL-LLVKDONJSA-N 1 0 193.290 1.976 50 0 in-vitro ADAARO CC(C)(C)c1cc(C[NH3+])[nH]n1 4244007 166384678 /nfs/dbraw/zinc/38/46/78/166384678.db2.gz UPXAEMPLVMJWAL-UHFFFAOYSA-N 1 0 153.229 1.166 50 0 in-vitro ADAARO CC(C)(C)c1csc(CC[NH3+])n1 3708400 166385260 /nfs/dbraw/zinc/38/52/60/166385260.db2.gz DGUPQQRXCFXJMD-UHFFFAOYSA-N 1 0 184.308 1.942 50 0 in-vitro ADAARO CC(C)(C)c1csc(C[NH3+])n1 3710559 166385354 /nfs/dbraw/zinc/38/53/54/166385354.db2.gz COFQRTLOIPDNTM-UHFFFAOYSA-N 1 0 170.281 1.899 50 0 ADAARO CC(C)(C)c1nc(CC[NH3+])cs1 57905407 166385913 /nfs/dbraw/zinc/38/59/13/166385913.db2.gz BFPJCSLSQJEZMP-UHFFFAOYSA-N 1 0 184.308 1.942 50 0 in-vitro ADAARO CC(C)(C)c1nc(C(C)(C)[NH3+])no1 36764594 166385978 /nfs/dbraw/zinc/38/59/78/166385978.db2.gz YTPVZLOKGXCLID-UHFFFAOYSA-N 1 0 183.255 1.561 50 0 in-vitro ADAARO CC(C)(C)c1cn2c(n1)CC[C@@H]([NH3+])C2 68585281 166386102 /nfs/dbraw/zinc/38/61/02/166386102.db2.gz LEWMKWVXTQEXHB-MRVPVSSYSA-N 1 0 193.294 1.454 50 0 in-vitro ADAARO CC(C)(C)c1ccnc(C[NH3+])c1 117495676 166386144 /nfs/dbraw/zinc/38/61/44/166386144.db2.gz MSRNBXHJFPAVFJ-UHFFFAOYSA-N 1 0 164.252 1.838 50 0 ADAARO CC(C)(C)c1ccncc1C[NH3+] 107456726 166386210 /nfs/dbraw/zinc/38/62/10/166386210.db2.gz CIXTUEIOJAOKTI-UHFFFAOYSA-N 1 0 164.252 1.838 50 0 ADAARO CC(C)(C)c1ccnc(C(N)=[NH2+])c1 71186691 166386481 /nfs/dbraw/zinc/38/64/81/166386481.db2.gz AWJDGAUURTWYMK-UHFFFAOYSA-N 1 0 177.251 1.663 50 0 ADAARO CC(C)(C)c1nc(C[NH3+])cs1 20216485 166386856 /nfs/dbraw/zinc/38/68/56/166386856.db2.gz YBQQIYCCZQFERZ-UHFFFAOYSA-N 1 0 170.281 1.899 50 0 in-vitro ADAARO CC(C)(C)c1cn2c(n1)CC[C@H]([NH3+])C2 68585277 166387430 /nfs/dbraw/zinc/38/74/30/166387430.db2.gz LEWMKWVXTQEXHB-QMMMGPOBSA-N 1 0 193.294 1.454 50 0 in-vitro ADAARO CC(C)(C)c1ncc2c(n1)C[NH2+]C2 42784266 166389341 /nfs/dbraw/zinc/38/93/41/166389341.db2.gz UVBVWJJOYADHPX-UHFFFAOYSA-N 1 0 177.251 1.377 50 0 ADAARO CC(C)(C)c1ncc2c(n1)CC[NH2+]C2 95910876 166389811 /nfs/dbraw/zinc/38/98/11/166389811.db2.gz TXNXUFABOGCLLO-UHFFFAOYSA-N 1 0 191.278 1.420 50 0 in-vitro ADAARO CC(C)(C)c1nccc(CCC[NH3+])n1 43674011 166390091 /nfs/dbraw/zinc/39/00/91/166390091.db2.gz JSSJSHHHEDRHBQ-UHFFFAOYSA-N 1 0 193.294 1.665 50 0 in-vitro ADAARO CC(C)(CC[NH3+])C(F)(F)F 146993061 166391082 /nfs/dbraw/zinc/39/10/82/166391082.db2.gz SSRSFLXNEFVWSJ-UHFFFAOYSA-N 1 0 155.163 1.924 50 0 in-vitro ADAARO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH3+] 36378532 166391225 /nfs/dbraw/zinc/39/12/25/166391225.db2.gz CNIAQZASAMBYNA-VIFPVBQESA-N 1 0 193.294 1.974 50 0 in-vitro ADAARO CC(C)(CCC[NH3+])C1OCCO1 49474322 166391273 /nfs/dbraw/zinc/39/12/73/166391273.db2.gz OWSLUTRBACVVDT-UHFFFAOYSA-N 1 0 173.256 1.124 50 0 in-vitro ADAARO CC(C)(C)n1ccnc1C[NH3+] 75844842 166391478 /nfs/dbraw/zinc/39/14/78/166391478.db2.gz IXNIHKOBAOPODP-UHFFFAOYSA-N 1 0 153.229 1.097 50 0 ADAARO CC(C)(C)n1cc2c(n1)CC[NH2+]C2 170626168 166391809 /nfs/dbraw/zinc/39/18/09/166391809.db2.gz NZXYYSVVLDLVRB-UHFFFAOYSA-N 1 0 179.267 1.284 50 0 ADAARO CC(C)(C)n1ncc2c1CC[NH2+]C2 82809121 166391979 /nfs/dbraw/zinc/39/19/79/166391979.db2.gz GXHREWMMPXVPAK-UHFFFAOYSA-N 1 0 179.267 1.284 50 0 ADAARO CC(C)(C)n1ncc2c1CCC[C@H]2[NH3+] 36378531 166392180 /nfs/dbraw/zinc/39/21/80/166392180.db2.gz CNIAQZASAMBYNA-SECBINFHSA-N 1 0 193.294 1.974 50 0 in-vitro ADAARO CC(C)(CC[NH3+])C1CC1 87937238 166392530 /nfs/dbraw/zinc/39/25/30/166392530.db2.gz WLFWXWWSTDLZQY-UHFFFAOYSA-N 1 0 127.231 1.771 50 0 ADAARO CC(C)(C)n1cc(C[NH3+])cn1 19438842 166393023 /nfs/dbraw/zinc/39/30/23/166393023.db2.gz GVNMZIROFVFUCE-UHFFFAOYSA-N 1 0 153.229 1.097 50 0 ADAARO CC(C)(CN)[NH+]1CCCCCC1 32540500 166393540 /nfs/dbraw/zinc/39/35/40/166393540.db2.gz XBFBRMREKVZFMP-UHFFFAOYSA-N 1 0 170.300 1.600 50 0 ADAARO CC(C)(C[NH3+])C1CCC1 161509466 166393568 /nfs/dbraw/zinc/39/35/68/166393568.db2.gz QUXXHKIXWXOGGC-UHFFFAOYSA-N 1 0 127.231 1.771 50 0 ADAARO CC(C)(C[NH3+])Oc1ccc(F)cc1 20398578 166393589 /nfs/dbraw/zinc/39/35/89/166393589.db2.gz DMZIDKYOCBQFTC-UHFFFAOYSA-N 1 0 183.226 1.942 50 0 ADAARO CC(C)(C[NH3+])Cc1cccnc1 98214101 166393669 /nfs/dbraw/zinc/39/36/69/166393669.db2.gz CKMPOXUUOMNAMI-UHFFFAOYSA-N 1 0 164.252 1.609 50 0 ADAARO CC(C)(C[NH3+])CC1CCOCC1 54634518 166393681 /nfs/dbraw/zinc/39/36/81/166393681.db2.gz HSENOKSLIBPEPM-UHFFFAOYSA-N 1 0 171.284 1.788 50 0 in-vitro ADAARO CC(C)(C[NH3+])C(F)(F)F 107156693 166393692 /nfs/dbraw/zinc/39/36/92/166393692.db2.gz NUJZHUHMBSJHCY-UHFFFAOYSA-N 1 0 141.136 1.534 50 0 in-vitro ADAARO CC(C)(C[NH3+])Nc1ccccc1 5481612 166393803 /nfs/dbraw/zinc/39/38/03/166393803.db2.gz YXGMENLRJAUPPC-UHFFFAOYSA-N 1 0 164.252 1.836 50 0 ADAARO CC(C)(C[NH3+])NCc1ccccc1 72319844 166393961 /nfs/dbraw/zinc/39/39/61/166393961.db2.gz CREAATGKLBYRSK-UHFFFAOYSA-N 1 0 178.279 1.514 50 0 ADAARO CC(C)(C[NH3+])NC(=O)OC(C)(C)C 36156183 166394009 /nfs/dbraw/zinc/39/40/09/166394009.db2.gz VFEPPZUGBHOHKH-UHFFFAOYSA-N 1 0 188.271 1.248 50 0 in-vitro ADAARO CC(C)(C[NH3+])C1(O)CCCC1 85898703 166394039 /nfs/dbraw/zinc/39/40/39/166394039.db2.gz AGTYIPVCLTXEIC-UHFFFAOYSA-N 1 0 157.257 1.276 50 0 ADAARO CC(C)(C[NH3+])Cc1ccccn1 87934625 166394140 /nfs/dbraw/zinc/39/41/40/166394140.db2.gz XJSOIUNPJJJEPM-UHFFFAOYSA-N 1 0 164.252 1.609 50 0 ADAARO CC(C)(C[NH3+])Cc1ccncc1 38874909 166394572 /nfs/dbraw/zinc/39/45/72/166394572.db2.gz FCWKTYAKHOSQHZ-UHFFFAOYSA-N 1 0 164.252 1.609 50 0 ADAARO CC(C)(C[NH3+])OCC1CC1 51957920 166394913 /nfs/dbraw/zinc/39/49/13/166394913.db2.gz OQVQWCWZZKOTHO-UHFFFAOYSA-N 1 0 143.230 1.150 50 0 ADAARO CC(C)(C[NH3+])OCC(F)(F)F 17438741 166395054 /nfs/dbraw/zinc/39/50/54/166395054.db2.gz ZZEPYFMTVXOILC-UHFFFAOYSA-N 1 0 171.162 1.303 50 0 ADAARO CC(C)(C[NH3+])CC1CC1 82411260 166395075 /nfs/dbraw/zinc/39/50/75/166395075.db2.gz YPVHVTYBUQGZRZ-UHFFFAOYSA-N 1 0 127.231 1.771 50 0 ADAARO CC(C)(C[NH3+])Oc1ccccc1 20398566 166395095 /nfs/dbraw/zinc/39/50/95/166395095.db2.gz XGVNLHVCMYHEFG-UHFFFAOYSA-N 1 0 165.236 1.803 50 0 in-vitro ADAARO CC(C)(CN)[NH+]1CCCCC1 19369041 166395296 /nfs/dbraw/zinc/39/52/96/166395296.db2.gz AIJCTHFQONDNCC-UHFFFAOYSA-N 1 0 156.273 1.210 50 0 in-vitro ADAARO CC(C)(C[NH3+])CC(F)(F)F 34115323 166395455 /nfs/dbraw/zinc/39/54/55/166395455.db2.gz MJVFDBKICXWHTG-UHFFFAOYSA-N 1 0 155.163 1.924 50 0 ADAARO CC(C)(CO)[NH2+]Cc1ccsc1 6883194 166395772 /nfs/dbraw/zinc/39/57/72/166395772.db2.gz PRUXABXVMAJSRQ-UHFFFAOYSA-N 1 0 185.292 1.609 50 0 ADAARO CC(C)(CO)C[NH+]1CCCCC1 1649048 166395951 /nfs/dbraw/zinc/39/59/51/166395951.db2.gz LTMWXFBWZVICIY-UHFFFAOYSA-N 1 0 171.284 1.491 50 0 in-vitro ADAARO CC(C)(CO)[NH2+]CC1CCCCC1 10473868 166395970 /nfs/dbraw/zinc/39/59/70/166395970.db2.gz YIDMXGKXTHCQOH-UHFFFAOYSA-N 1 0 185.311 1.927 50 0 ADAARO CC(C)(CO)[NH2+]Cc1ccco1 6883192 166396015 /nfs/dbraw/zinc/39/60/15/166396015.db2.gz SHVOHCISDMKPNY-UHFFFAOYSA-N 1 0 169.224 1.140 50 0 in-vitro ADAARO CC(C)(C[NH3+])c1ccccc1 1646637 166396139 /nfs/dbraw/zinc/39/61/39/166396139.db2.gz CWSGTPMVOJFVIF-UHFFFAOYSA-N 1 0 149.237 1.923 50 0 in-vitro ADAARO CC(C)(C[NH3+])[C@@H]1CCCO1 57348844 166396145 /nfs/dbraw/zinc/39/61/45/166396145.db2.gz XADZLCRKQLKKPX-ZETCQYMHSA-N 1 0 143.230 1.150 50 0 ADAARO CC(C)(CO)[NH2+]CCc1ccccc1 10473860 166396225 /nfs/dbraw/zinc/39/62/25/166396225.db2.gz VBKGZEZCGJIXFW-UHFFFAOYSA-N 1 0 193.290 1.590 50 0 ADAARO CC(C)(C[NH3+])[C@@H]1CCCCO1 75110704 166396228 /nfs/dbraw/zinc/39/62/28/166396228.db2.gz COOJVMHRVYJJAH-QMMMGPOBSA-N 1 0 157.257 1.540 50 0 in-vitro ADAARO CC(C)(C[NH3+])c1ccc2c(c1)OCO2 37934528 166396438 /nfs/dbraw/zinc/39/64/38/166396438.db2.gz CGZCCWRCOLWZKV-UHFFFAOYSA-N 1 0 193.246 1.652 50 0 in-vitro ADAARO CC(C)(CO)[NH2+]Cc1ccccc1F 1705874 166396485 /nfs/dbraw/zinc/39/64/85/166396485.db2.gz XSAHDDWAENJQAZ-UHFFFAOYSA-N 1 0 197.253 1.686 50 0 ADAARO CC(C)(CO)[NH2+]Cc1cccc(F)c1 20196208 166396611 /nfs/dbraw/zinc/39/66/11/166396611.db2.gz PMFPMEYXWFHUPP-UHFFFAOYSA-N 1 0 197.253 1.686 50 0 ADAARO CC(C)(CO)[NH2+]Cc1ccc(F)cc1 359878 166396618 /nfs/dbraw/zinc/39/66/18/166396618.db2.gz MQWSOOZAFLLTRJ-UHFFFAOYSA-N 1 0 197.253 1.686 50 0 ADAARO CC(C)(CO)C[NH+]1CCCC1 394083 166396844 /nfs/dbraw/zinc/39/68/44/166396844.db2.gz OVTMCBIZTDPCGB-UHFFFAOYSA-N 1 0 157.257 1.101 50 0 in-vitro ADAARO CC(C)(CO)C1CC[NH2+]CC1 34068294 166396900 /nfs/dbraw/zinc/39/69/00/166396900.db2.gz URRQEBTVGCKANT-UHFFFAOYSA-N 1 0 157.257 1.005 50 0 ADAARO CC(C)(C[NH3+])c1ncccc1F 98214134 166396944 /nfs/dbraw/zinc/39/69/44/166396944.db2.gz ZONHVZUDSFEJTQ-UHFFFAOYSA-N 1 0 168.215 1.457 50 0 ADAARO CC(C)(CO)[NH2+]CC1CCC1 83838378 166397132 /nfs/dbraw/zinc/39/71/32/166397132.db2.gz NQYTUHZOXQBGSA-UHFFFAOYSA-N 1 0 157.257 1.147 50 0 in-vitro ADAARO CC(C)(CO)[NH2+]Cc1ccccc1 5817218 166397347 /nfs/dbraw/zinc/39/73/47/166397347.db2.gz JIDHEIXSIHNMCG-UHFFFAOYSA-N 1 0 179.263 1.547 50 0 in-vitro ADAARO CC(C)(C[NH3+])c1cccs1 33487058 166397443 /nfs/dbraw/zinc/39/74/43/166397443.db2.gz GULSTDWKCMPQQZ-UHFFFAOYSA-N 1 0 155.266 1.984 50 0 in-vitro ADAARO CC(C)(C[NH3+])c1ccsc1 82406517 166397476 /nfs/dbraw/zinc/39/74/76/166397476.db2.gz LRJHOKBSEMKQKZ-UHFFFAOYSA-N 1 0 155.266 1.984 50 0 ADAARO CC(C)(C[NH3+])c1ccco1 33487063 166397493 /nfs/dbraw/zinc/39/74/93/166397493.db2.gz SBFSOBFATRRRRH-UHFFFAOYSA-N 1 0 139.198 1.516 50 0 ADAARO CC(C)(C[NH3+])c1ccncc1 33487062 166397498 /nfs/dbraw/zinc/39/74/98/166397498.db2.gz OJQCYAVJFWTLBA-UHFFFAOYSA-N 1 0 150.225 1.318 50 0 ADAARO CC(C)(C[NH3+])c1cccnc1 33487059 166397584 /nfs/dbraw/zinc/39/75/84/166397584.db2.gz OWSBKTMKKKURHE-UHFFFAOYSA-N 1 0 150.225 1.318 50 0 ADAARO CC(C)(CO)[NH2+]Cc1cccs1 359877 166397627 /nfs/dbraw/zinc/39/76/27/166397627.db2.gz OIHHTDRRPSXECH-UHFFFAOYSA-N 1 0 185.292 1.609 50 0 ADAARO CC(C)(C[NH3+])c1ccc(F)cn1 98179630 166397679 /nfs/dbraw/zinc/39/76/79/166397679.db2.gz SSXQEIQRLICSCL-UHFFFAOYSA-N 1 0 168.215 1.457 50 0 ADAARO CC(C)(C[NH3+])[C@H]1CCCO1 57348847 166398021 /nfs/dbraw/zinc/39/80/21/166398021.db2.gz XADZLCRKQLKKPX-SSDOTTSWSA-N 1 0 143.230 1.150 50 0 ADAARO CC(C)(C[NH3+])[C@H]1CCCCO1 75110705 166398086 /nfs/dbraw/zinc/39/80/86/166398086.db2.gz COOJVMHRVYJJAH-MRVPVSSYSA-N 1 0 157.257 1.540 50 0 in-vitro ADAARO CC(C)([NH3+])CC1CCOCC1 53758006 166398402 /nfs/dbraw/zinc/39/84/02/166398402.db2.gz VUBWWZPWXPEPDB-UHFFFAOYSA-N 1 0 157.257 1.540 50 0 ADAARO CC(C)(CO)[C@H](C[NH3+])c1ccccc1 82164309 166398405 /nfs/dbraw/zinc/39/84/05/166398405.db2.gz QGAUISZPZZWZBD-LLVKDONJSA-N 1 0 193.290 1.747 50 0 in-vitro ADAARO CC(C)([NH3+])CC(F)(F)F 59625919 166398423 /nfs/dbraw/zinc/39/84/23/166398423.db2.gz XZLZSIPTAZHIIH-UHFFFAOYSA-N 1 0 141.136 1.676 50 0 in-vitro ADAARO CC(C)(CO)[C@@H]([NH3+])c1cccnc1 95659386 166398436 /nfs/dbraw/zinc/39/84/36/166398436.db2.gz WFQCDTHCUPNKSZ-VIFPVBQESA-N 1 0 180.251 1.100 50 0 in-vitro ADAARO CC(C)([NH3+])C(=O)Nc1ccc(F)cc1 19672565 166398490 /nfs/dbraw/zinc/39/84/90/166398490.db2.gz GQUSABCMPSBNPA-UHFFFAOYSA-N 1 0 196.225 1.502 50 0 ADAARO CC(C)(CO)[C@@H](C[NH3+])c1ccccc1 82164307 166398608 /nfs/dbraw/zinc/39/86/08/166398608.db2.gz QGAUISZPZZWZBD-NSHDSACASA-N 1 0 193.290 1.747 50 0 in-vitro ADAARO CC(C)([NH3+])C(=O)NC1CCCCC1 19672339 166398632 /nfs/dbraw/zinc/39/86/32/166398632.db2.gz FCEBFCTZQHKHCI-UHFFFAOYSA-N 1 0 184.283 1.173 50 0 ADAARO CC(C)([NH3+])C(=O)N1CCCCCC1 19672515 166398805 /nfs/dbraw/zinc/39/88/05/166398805.db2.gz BYXZQABLZOBOSK-UHFFFAOYSA-N 1 0 184.283 1.126 50 0 in-vitro ADAARO CC(C)(CO)[C@@H]([NH3+])c1ccccc1 34075958 166398847 /nfs/dbraw/zinc/39/88/47/166398847.db2.gz JROIRYAZVQTFDW-JTQLQIEISA-N 1 0 179.263 1.705 50 0 ADAARO CC(C)(F)CC[NH3+] 107114289 166398907 /nfs/dbraw/zinc/39/89/07/166398907.db2.gz PUAGMMGBTMAYQO-UHFFFAOYSA-N 1 0 105.156 1.083 50 0 in-vitro ADAARO CC(C)([NH3+])CC1CC1 80130456 166398931 /nfs/dbraw/zinc/39/89/31/166398931.db2.gz OECNZQDBVMOWFL-UHFFFAOYSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO CC(C)(CO)[C@@H]([NH3+])c1cccs1 95658993 166398947 /nfs/dbraw/zinc/39/89/47/166398947.db2.gz QXNHPELAJXNRJS-QMMMGPOBSA-N 1 0 185.292 1.766 50 0 in-vitro ADAARO CC(C)([NH3+])C(=O)c1ccccc1 58327384 166399086 /nfs/dbraw/zinc/39/90/86/166399086.db2.gz VCYOVIPBNXUODX-UHFFFAOYSA-N 1 0 163.220 1.607 50 0 ADAARO CC(C)([NH3+])C1CC1 19682453 166399100 /nfs/dbraw/zinc/39/91/00/166399100.db2.gz OOXIEUXBOSSXJM-UHFFFAOYSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO CC(C)(CO)[C@H]([NH3+])c1cccnc1 95672604 166399112 /nfs/dbraw/zinc/39/91/12/166399112.db2.gz WFQCDTHCUPNKSZ-SECBINFHSA-N 1 0 180.251 1.100 50 0 in-vitro ADAARO CC(C)([NH3+])C1CCOCC1 39074106 166399138 /nfs/dbraw/zinc/39/91/38/166399138.db2.gz ZNSOJZFYOUTLEG-UHFFFAOYSA-N 1 0 143.230 1.150 50 0 in-vitro ADAARO CC(C)([NH3+])C(C)(F)F 107272606 166399224 /nfs/dbraw/zinc/39/92/24/166399224.db2.gz OKFXQSPWMSNPFI-UHFFFAOYSA-N 1 0 123.146 1.379 50 0 ADAARO CC(C)([NH3+])C(=O)NCC1CCCCC1 40920595 166399277 /nfs/dbraw/zinc/39/92/77/166399277.db2.gz ZAKBGZSBXBJOCN-UHFFFAOYSA-N 1 0 198.310 1.420 50 0 in-vitro ADAARO CC(C)(CO)[C@H]([NH3+])c1ccccc1 34115708 166399455 /nfs/dbraw/zinc/39/94/55/166399455.db2.gz JROIRYAZVQTFDW-SNVBAGLBSA-N 1 0 179.263 1.705 50 0 ADAARO CC(C)(CO)[C@H]([NH3+])c1cccs1 95672212 166399576 /nfs/dbraw/zinc/39/95/76/166399576.db2.gz QXNHPELAJXNRJS-MRVPVSSYSA-N 1 0 185.292 1.766 50 0 in-vitro ADAARO CC(C)(F)c1ncncc1C[NH3+] 95643278 166399772 /nfs/dbraw/zinc/39/97/72/166399772.db2.gz LXCRETZFNPZEEM-UHFFFAOYSA-N 1 0 169.203 1.140 50 0 in-vitro ADAARO CC(C)([NH3+])CCC(=O)OC(C)(C)C 50197397 166399994 /nfs/dbraw/zinc/39/99/94/166399994.db2.gz MSYWFLPIRKVKGH-UHFFFAOYSA-N 1 0 187.283 1.846 50 0 in-vitro ADAARO CC(C)([NH3+])COCc1ccccc1 34751630 166401584 /nfs/dbraw/zinc/40/15/84/166401584.db2.gz GDHCFKACBVPPKH-UHFFFAOYSA-N 1 0 179.263 1.941 50 0 in-vitro ADAARO CC(C)([NH3+])COC(=O)c1ccccc1 1665100 166401649 /nfs/dbraw/zinc/40/16/49/166401649.db2.gz FSGAVDJRISZBAH-UHFFFAOYSA-N 1 0 193.246 1.581 50 0 ADAARO CC(C)([NH3+])Cc1ccccn1 39050199 166401748 /nfs/dbraw/zinc/40/17/48/166401748.db2.gz BDJDYPNPNAFBTK-UHFFFAOYSA-N 1 0 150.225 1.361 50 0 ADAARO CC(C)([NH3+])[C@@H](O)c1ccc(F)cc1 19684201 166402570 /nfs/dbraw/zinc/40/25/70/166402570.db2.gz UFNHQCLMZHVPRL-VIFPVBQESA-N 1 0 183.226 1.596 50 0 ADAARO CC(C)([NH3+])Cc1cccnc1 39050197 166403318 /nfs/dbraw/zinc/40/33/18/166403318.db2.gz PNCCNVRKXAVOFJ-UHFFFAOYSA-N 1 0 150.225 1.361 50 0 ADAARO CC(C)([NH3+])c1ccc(Cl)nc1 76914389 166405697 /nfs/dbraw/zinc/40/56/97/166405697.db2.gz LEUKIRSZLUMFGP-UHFFFAOYSA-N 1 0 170.643 1.929 50 0 in-vitro ADAARO CC(C)=CCO[C@@H]1CCC[NH2+]C1 14631555 166419137 /nfs/dbraw/zinc/41/91/37/166419137.db2.gz XAYMLCHNVLMGEQ-SNVBAGLBSA-N 1 0 169.268 1.721 50 0 ADAARO CC(C)=CCOC[C@@H]1CCC[NH2+]C1 14631077 166419186 /nfs/dbraw/zinc/41/91/86/166419186.db2.gz QVQGPOULROKLFZ-LLVKDONJSA-N 1 0 183.295 1.969 50 0 in-vitro ADAARO CC(C)=C[NH+]1CCOCC1 100134331 166421414 /nfs/dbraw/zinc/42/14/14/166421414.db2.gz RSEUOMWVYSLIKM-UHFFFAOYSA-N 1 0 141.214 1.242 50 0 ADAARO CC(C)C(=O)N[C@H]1CC[C@@H]([NH3+])CC1 114120115 166426638 /nfs/dbraw/zinc/42/66/38/166426638.db2.gz ZGKOBTGTGOSXPP-KYZUINATSA-N 1 0 184.283 1.029 50 0 ADAARO CC(C)C1(C[NH3+])CC1 19091820 166429293 /nfs/dbraw/zinc/42/92/93/166429293.db2.gz AGGHXCYXDNEQQJ-UHFFFAOYSA-N 1 0 113.204 1.381 50 0 in-vitro ADAARO CC(C)CC(=O)O[C@@H]1CCC[NH2+]C1 42769084 166432878 /nfs/dbraw/zinc/43/28/78/166432878.db2.gz GQAFJHZXRSUJCA-SECBINFHSA-N 1 0 185.267 1.328 50 0 ADAARO CC(C)CC(=O)OC[C@@H]1CC[NH2+]C1 42769141 166434331 /nfs/dbraw/zinc/43/43/31/166434331.db2.gz BTTIZPSCSPQVDL-SECBINFHSA-N 1 0 185.267 1.185 50 0 ADAARO CC(C)CC1(C[NH3+])CC1 71482996 166435598 /nfs/dbraw/zinc/43/55/98/166435598.db2.gz FJVWLVQWNGHATO-UHFFFAOYSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO CC(C)CC1([NH3+])CCOCC1 63077180 166436608 /nfs/dbraw/zinc/43/66/08/166436608.db2.gz PLGWARLDJQQUAM-UHFFFAOYSA-N 1 0 157.257 1.540 50 0 ADAARO CC(C)CC[C@@H](C)[NH3+] 1699272 166449195 /nfs/dbraw/zinc/44/91/95/166449195.db2.gz IZCBXLKODYZSDJ-SSDOTTSWSA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO CC(C)CCO[C@H]1CCC[C@@H]1[NH3+] 19282810 166449607 /nfs/dbraw/zinc/44/96/07/166449607.db2.gz ZAXGUJIXMMJHLS-UWVGGRQHSA-N 1 0 171.284 1.929 50 0 ADAARO CC(C)CCO[C@H]1CC[NH2+]C1 14632010 166450595 /nfs/dbraw/zinc/45/05/95/166450595.db2.gz RPPGMZVKEWPDGB-VIFPVBQESA-N 1 0 157.257 1.411 50 0 ADAARO CC(C)CCO[C@H]1CCC[NH2+]C1 14631566 166450679 /nfs/dbraw/zinc/45/06/79/166450679.db2.gz WNKVGIBUQZFKJZ-JTQLQIEISA-N 1 0 171.284 1.801 50 0 in-vitro ADAARO CC(C)CCO[C@@H]1CCC[NH2+]C1 14631563 166450856 /nfs/dbraw/zinc/45/08/56/166450856.db2.gz WNKVGIBUQZFKJZ-SNVBAGLBSA-N 1 0 171.284 1.801 50 0 in-vitro ADAARO CC(C)CC[n+]1ccc(C(N)=O)cc1 394263 166452309 /nfs/dbraw/zinc/45/23/09/166452309.db2.gz DCAUWPMFSVTNPN-UHFFFAOYSA-O 1 0 193.270 1.119 50 0 ADAARO CC(C)CC[C@@](C)(O)C[NH3+] 35278990 166452681 /nfs/dbraw/zinc/45/26/81/166452681.db2.gz XSFNYFUUQXHUIJ-MRVPVSSYSA-N 1 0 145.246 1.132 50 0 in-vitro ADAARO CC(C)C[NH+](CC(C)C)C[C@@H](C)O 42034411 166458308 /nfs/dbraw/zinc/45/83/08/166458308.db2.gz OSOTYTMWGWUQOX-LLVKDONJSA-N 1 0 187.327 1.981 50 0 ADAARO CC(C)C[NH+]1CCC(CO)CC1 12382263 166464178 /nfs/dbraw/zinc/46/41/78/166464178.db2.gz SNXAUSJVVABUEI-UHFFFAOYSA-N 1 0 171.284 1.347 50 0 in-vitro ADAARO CC(C)CNC1=[NH+]CCCS1 3885617 166468389 /nfs/dbraw/zinc/46/83/89/166468389.db2.gz MBYLAMQPEIOABW-UHFFFAOYSA-N 1 0 172.297 1.725 50 0 in-vitro ADAARO CC(C)C[NH2+]C1CCOCC1 36303740 166469338 /nfs/dbraw/zinc/46/93/38/166469338.db2.gz BFKMNHAIVNKGED-UHFFFAOYSA-N 1 0 157.257 1.411 50 0 ADAARO CC(C)C[NH2+]C[C@@H]1CCCO1 19963432 166470643 /nfs/dbraw/zinc/47/06/43/166470643.db2.gz VNASWUJGMIFXPQ-VIFPVBQESA-N 1 0 157.257 1.411 50 0 ADAARO CC(C)C[NH2+]Cc1cnn(C)c1 11920308 166471692 /nfs/dbraw/zinc/47/16/92/166471692.db2.gz SJSPCTOAIURCFH-UHFFFAOYSA-N 1 0 167.256 1.166 50 0 in-vitro ADAARO CC(C)CO[C@H]1C[C@H]([NH3+])C1(C)C 68576747 166479073 /nfs/dbraw/zinc/47/90/73/166479073.db2.gz JLXVSEZUCBIICW-IUCAKERBSA-N 1 0 171.284 1.785 50 0 in-vitro ADAARO CC(C)CO[C@H]1CCC[NH2+]C1 6255914 166479397 /nfs/dbraw/zinc/47/93/97/166479397.db2.gz USDIAPRBFLTNAM-VIFPVBQESA-N 1 0 157.257 1.411 50 0 ADAARO CC(C)CSCCC[NH3+] 34937164 166481250 /nfs/dbraw/zinc/48/12/50/166481250.db2.gz OICZXFJBNPABFW-UHFFFAOYSA-N 1 0 147.287 1.724 50 0 in-vitro ADAARO CC(C)C[C@@H]([NH3+])[C@@H](O)C(F)(F)F 3259966 166486947 /nfs/dbraw/zinc/48/69/47/166486947.db2.gz WZSHMIPUSYLNSA-PHDIDXHHSA-N 1 0 185.189 1.283 50 0 ADAARO CC(C)C[C@@H]1COCC[C@@H]1[NH3+] 82405890 166488258 /nfs/dbraw/zinc/48/82/58/166488258.db2.gz DNVHEEWSSDVGKP-BDAKNGLRSA-N 1 0 157.257 1.396 50 0 ADAARO CC(C)C[C@H](CO)[NH2+]C1CCCC1 38122962 166493939 /nfs/dbraw/zinc/49/39/39/166493939.db2.gz JRAMGCVTOCEGNX-LLVKDONJSA-N 1 0 185.311 1.926 50 0 ADAARO CC(C)C[C@H](O)C1CC[NH2+]CC1 12382168 166495720 /nfs/dbraw/zinc/49/57/20/166495720.db2.gz HGFKBMNAAHURFG-JTQLQIEISA-N 1 0 171.284 1.393 50 0 in-vitro ADAARO CC(C)C[C@H]([NH3+])[C@H](O)C(F)(F)F 3259961 166497007 /nfs/dbraw/zinc/49/70/07/166497007.db2.gz WZSHMIPUSYLNSA-WDSKDSINSA-N 1 0 185.189 1.283 50 0 ADAARO CC(C)C[C@H]1OCCC[C@@H]1[NH3+] 74342316 166499120 /nfs/dbraw/zinc/49/91/20/166499120.db2.gz RGBLJJXXWNGXMA-DTWKUNHWSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO CC(C)C[C@H]1COCC[C@@H]1[NH3+] 82405891 166499514 /nfs/dbraw/zinc/49/95/14/166499514.db2.gz DNVHEEWSSDVGKP-IUCAKERBSA-N 1 0 157.257 1.396 50 0 ADAARO CC(C)[NH+](C)C(C)C 2563371 166507937 /nfs/dbraw/zinc/50/79/37/166507937.db2.gz ISRXMEYARGEVIU-UHFFFAOYSA-N 1 0 115.220 1.735 50 0 ADAARO CCC[NH2+][C@H]1CCCC[C@@H]1O 20130583 167002753 /nfs/dbraw/zinc/00/27/53/167002753.db2.gz SXOCCHYQGUFUDW-IUCAKERBSA-N 1 0 157.257 1.290 50 0 ADAARO CC(C)[NH+]1CCCC1 36154319 166518874 /nfs/dbraw/zinc/51/88/74/166518874.db2.gz YQOPNAOQGQSUHF-UHFFFAOYSA-N 1 0 113.204 1.491 50 0 ADAARO CC(C)[N@@H+]1C[C@@H]2CCC[C@H](C1)C2O 12506081 166528042 /nfs/dbraw/zinc/52/80/42/166528042.db2.gz KZWYGYLHQLJJAM-ZACCUICWSA-N 1 0 183.295 1.488 50 0 ADAARO CC(C)[NH2+]C1CCC1 44479842 166536589 /nfs/dbraw/zinc/53/65/89/166536589.db2.gz MWHKYYUTZDOAQP-UHFFFAOYSA-N 1 0 113.204 1.537 50 0 in-vitro ADAARO CC(C)[NH2+]CC(=O)N1CCCCCC1 19817282 166537514 /nfs/dbraw/zinc/53/75/14/166537514.db2.gz VUEUCIYETAXEGY-UHFFFAOYSA-N 1 0 198.310 1.387 50 0 in-vitro ADAARO CC(C)[NH2+]CC1CCC1 26510800 166537771 /nfs/dbraw/zinc/53/77/71/166537771.db2.gz DHDCIACKSQENKX-UHFFFAOYSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO CC(C)[NH2+]C(C)C 4674523 166537972 /nfs/dbraw/zinc/53/79/72/166537972.db2.gz UAOMVDZJSHZZME-UHFFFAOYSA-N 1 0 101.193 1.393 50 0 in-man ADAARO CC(C)[NH2+]C[C@@H](O)Cc1ccccc1 2016763 166540034 /nfs/dbraw/zinc/54/00/34/166540034.db2.gz SHNJNXNMYKGBGP-LBPRGKRZSA-N 1 0 193.290 1.588 50 0 ADAARO CC(C)[NH2+]CCN1CCCCCC1 32445499 166541177 /nfs/dbraw/zinc/54/11/77/166541177.db2.gz RMZFCHGMKNLUEN-UHFFFAOYSA-N 1 0 184.327 1.860 50 0 in-vitro ADAARO CC(C)[NH2+]C[C@H](O)c1ccccc1 336573 166543005 /nfs/dbraw/zinc/54/30/05/166543005.db2.gz YANYGOBZUASRHR-NSHDSACASA-N 1 0 179.263 1.718 50 0 in-vitro ADAARO CC(C)[NH2+]C[C@H]1CCCCO1 5456003 166543387 /nfs/dbraw/zinc/54/33/87/166543387.db2.gz PFDXIMASHCKFLM-SECBINFHSA-N 1 0 157.257 1.554 50 0 in-vitro ADAARO CC(C)[NH2+]C[C@H](O)Cc1ccccc1 2016762 166544179 /nfs/dbraw/zinc/54/41/79/166544179.db2.gz SHNJNXNMYKGBGP-GFCCVEGCSA-N 1 0 193.290 1.588 50 0 ADAARO CC(C)[NH2+][C@H](CO)C(C)C 2567306 166548592 /nfs/dbraw/zinc/54/85/92/166548592.db2.gz ANZBKMZVBJDTEL-MRVPVSSYSA-N 1 0 145.246 1.001 50 0 in-vitro ADAARO CC(C)Nc1cccc(C[NH3+])c1 47845013 166551028 /nfs/dbraw/zinc/55/10/28/166551028.db2.gz VWVCYCPZNSEDRX-UHFFFAOYSA-N 1 0 164.252 1.966 50 0 ADAARO CC(C)OC(=O)[C@H]1CCC[N@@H+]1C(C)C 32136233 166553649 /nfs/dbraw/zinc/55/36/49/166553649.db2.gz GEZXXWSGDCCGQM-SNVBAGLBSA-N 1 0 199.294 1.811 50 0 ADAARO CC(C)OCC[NH2+]CCOC(C)C 34926207 166556888 /nfs/dbraw/zinc/55/68/88/166556888.db2.gz CEPQYWFGSICCKK-UHFFFAOYSA-N 1 0 189.299 1.426 50 0 in-vitro ADAARO CC(C)Oc1ccc(CC[NH3+])cc1 19089711 166560404 /nfs/dbraw/zinc/56/04/04/166560404.db2.gz PNHKLHKLRYLHAQ-UHFFFAOYSA-N 1 0 179.263 1.975 50 0 in-vitro ADAARO CC(C)Oc1ccc(C[NH3+])cc1 153926 166560424 /nfs/dbraw/zinc/56/04/24/166560424.db2.gz BHCAOBYOKNTDLI-UHFFFAOYSA-N 1 0 165.236 1.933 50 0 in-vitro ADAARO CC(C)Oc1cccc(C[NH3+])c1 153925 166561419 /nfs/dbraw/zinc/56/14/19/166561419.db2.gz YRNFZPXUBVUYBJ-UHFFFAOYSA-N 1 0 165.236 1.933 50 0 in-vitro ADAARO CC(C)Oc1ccccc1CC[NH3+] 37720498 166563027 /nfs/dbraw/zinc/56/30/27/166563027.db2.gz MIJJXKZXKLCWEM-UHFFFAOYSA-N 1 0 179.263 1.975 50 0 in-vitro ADAARO CC(C)SCCC[NH3+] 20396480 166563349 /nfs/dbraw/zinc/56/33/49/166563349.db2.gz QGGKLVUTHRMLGV-UHFFFAOYSA-N 1 0 133.260 1.477 50 0 in-vitro ADAARO CC(C)[C@@H](C)CC[NH3+] 43559392 166569828 /nfs/dbraw/zinc/56/98/28/166569828.db2.gz WEZJDTIOVDYLCA-ZETCQYMHSA-N 1 0 115.220 1.627 50 0 ADAARO CC(C)[C@@H](CN)[NH+]1CCCCCC1 38338696 166575197 /nfs/dbraw/zinc/57/51/97/166575197.db2.gz VCIIWOCBZLOOOM-LLVKDONJSA-N 1 0 184.327 1.846 50 0 ADAARO CC(C)[C@@H]([NH3+])C1CC1 37466969 166577214 /nfs/dbraw/zinc/57/72/14/166577214.db2.gz CBPAZAKGLBSTBB-SSDOTTSWSA-N 1 0 113.204 1.380 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])C1(CO)CCCC1 299805323 166578721 /nfs/dbraw/zinc/57/87/21/166578721.db2.gz JBHTUPDKPTWBLI-SECBINFHSA-N 1 0 171.284 1.522 50 0 ADAARO CC(C)[C@@H]([NH3+])C1(CO)CCC1 238855829 166578987 /nfs/dbraw/zinc/57/89/87/166578987.db2.gz SWHGGGURSFRRNJ-MRVPVSSYSA-N 1 0 157.257 1.132 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])c1cnn(C)c1 34957681 166580157 /nfs/dbraw/zinc/58/01/57/166580157.db2.gz SWZWBESHPOOIGJ-MRVPVSSYSA-N 1 0 153.229 1.076 50 0 ADAARO CC(C)[C@@H]1CCCC[NH2+]1 2582614 166584830 /nfs/dbraw/zinc/58/48/30/166584830.db2.gz UGZMDPJPZIDCOA-QMMMGPOBSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO CC(C)[C@@H]1CC[NH2+]1 20443081 166587842 /nfs/dbraw/zinc/58/78/42/166587842.db2.gz MDVHHYGTBKHJAU-LURJTMIESA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO CC(C)[C@@H]1OCCC[C@@H]1C[NH3+] 72312399 166591489 /nfs/dbraw/zinc/59/14/89/166591489.db2.gz LLIFJHZIHLUNFE-BDAKNGLRSA-N 1 0 157.257 1.396 50 0 in-vitro ADAARO CC(C)[C@@H]1OCC[C@@H]1C[NH3+] 72310582 166591852 /nfs/dbraw/zinc/59/18/52/166591852.db2.gz IEKRWLAJSISLGT-SFYZADRCSA-N 1 0 143.230 1.006 50 0 in-vitro ADAARO CC(C)[C@@H]1OCCC[C@H]1C[NH3+] 72312397 166592738 /nfs/dbraw/zinc/59/27/38/166592738.db2.gz LLIFJHZIHLUNFE-IUCAKERBSA-N 1 0 157.257 1.396 50 0 in-vitro ADAARO CC(C)[C@@H]1[NH2+]CC12CCC2 238855808 166593924 /nfs/dbraw/zinc/59/39/24/166593924.db2.gz STZVATGIVFTOOK-QMMMGPOBSA-N 1 0 139.242 1.785 50 0 in-vitro ADAARO CC(C)[C@@]1(C)C[C@H]1[NH3+] 52126435 166596119 /nfs/dbraw/zinc/59/61/19/166596119.db2.gz FIFVQIHRUPUBLG-RNFRBKRXSA-N 1 0 113.204 1.380 50 0 ADAARO CC(C)[C@@]1(C)C[C@@H]1[NH3+] 52126433 166596364 /nfs/dbraw/zinc/59/63/64/166596364.db2.gz FIFVQIHRUPUBLG-NKWVEPMBSA-N 1 0 113.204 1.380 50 0 ADAARO CC(C)[C@H](C[NH3+])c1ccnn1C 82853235 166605957 /nfs/dbraw/zinc/60/59/57/166605957.db2.gz REEIWYLDYVOGJX-QMMMGPOBSA-N 1 0 167.256 1.118 50 0 in-vitro ADAARO CC(C)[C@H](CN)[NH+]1CCCC1 22921623 166606363 /nfs/dbraw/zinc/60/63/63/166606363.db2.gz ITOYOTJXYAOWBL-VIFPVBQESA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO CC(C)[C@H](C[NH3+])c1cccnc1 72309562 166606917 /nfs/dbraw/zinc/60/69/17/166606917.db2.gz KPTYNJPTAYLZMF-JTQLQIEISA-N 1 0 164.252 1.780 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])[C@@H](O)c1ccccc1 32007300 166609040 /nfs/dbraw/zinc/60/90/40/166609040.db2.gz COXYPOLXZLWCIA-QWRGUYRKSA-N 1 0 179.263 1.703 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])C1CC1 37466967 166609971 /nfs/dbraw/zinc/60/99/71/166609971.db2.gz CBPAZAKGLBSTBB-ZETCQYMHSA-N 1 0 113.204 1.380 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])CC(F)(F)F 42413224 166610384 /nfs/dbraw/zinc/61/03/84/166610384.db2.gz IHZYNDVGXILSGV-RXMQYKEDSA-N 1 0 155.163 1.922 50 0 in-vitro ADAARO CC(C)[C@H]1CCC[C@@H]1[NH3+] 39434541 166613666 /nfs/dbraw/zinc/61/36/66/166613666.db2.gz LSHKOEGVVYRQIF-SFYZADRCSA-N 1 0 127.231 1.770 50 0 ADAARO CC(C)[C@H]1CCO[C@H]1C[NH3+] 252510386 166615496 /nfs/dbraw/zinc/61/54/96/166615496.db2.gz ZJDSZAXRGSXRBA-SFYZADRCSA-N 1 0 143.230 1.006 50 0 ADAARO CC(C)[C@H]1CCC[C@H]1[NH3+] 39434543 166615552 /nfs/dbraw/zinc/61/55/52/166615552.db2.gz LSHKOEGVVYRQIF-HTQZYQBOSA-N 1 0 127.231 1.770 50 0 ADAARO CC(C)[C@H]1C[NH2+]CCCO1 82839488 166616301 /nfs/dbraw/zinc/61/63/01/166616301.db2.gz JPYYBLAUULIEFR-MRVPVSSYSA-N 1 0 143.230 1.021 50 0 ADAARO CC(C)[C@H]1C[NH2+]CCS1 71790759 166617972 /nfs/dbraw/zinc/61/79/72/166617972.db2.gz PZXQCEVMESPTFU-SSDOTTSWSA-N 1 0 145.271 1.347 50 0 in-vitro ADAARO CC(C)[C@H]1C[C@@H](C[NH3+])CCO1 69857827 166619772 /nfs/dbraw/zinc/61/97/72/166619772.db2.gz HTNALYQLVYDBSI-DTWKUNHWSA-N 1 0 157.257 1.396 50 0 ADAARO CC(C)[C@H]1OCC[C@H]1C[NH3+] 72310579 166621751 /nfs/dbraw/zinc/62/17/51/166621751.db2.gz IEKRWLAJSISLGT-JGVFFNPUSA-N 1 0 143.230 1.006 50 0 in-vitro ADAARO CC(C)[C@H]1OCCC[C@@H]1C[NH3+] 72312398 166622498 /nfs/dbraw/zinc/62/24/98/166622498.db2.gz LLIFJHZIHLUNFE-RKDXNWHRSA-N 1 0 157.257 1.396 50 0 in-vitro ADAARO CC(C)c1cc(C[NH3+])no1 19093306 166627060 /nfs/dbraw/zinc/62/70/60/166627060.db2.gz MSEXFKQRZBKWIM-UHFFFAOYSA-N 1 0 140.186 1.257 50 0 in-vitro ADAARO CC(C)c1nc(CC[NH3+])cs1 19092679 166640842 /nfs/dbraw/zinc/64/08/42/166640842.db2.gz WMHRCWKIEPTSAU-UHFFFAOYSA-N 1 0 170.281 1.768 50 0 in-vitro ADAARO CC(C)c1nnc2ccc(C[NH3+])cn12 82636458 166644533 /nfs/dbraw/zinc/64/45/33/166644533.db2.gz NGXRFIGKBCZSSK-UHFFFAOYSA-N 1 0 190.250 1.311 50 0 ADAARO CC(C)c1nnc([C@@H]2CCC[NH2+]C2)o1 82530947 166645632 /nfs/dbraw/zinc/64/56/32/166645632.db2.gz UNVJLDQRNKOVPP-MRVPVSSYSA-N 1 0 195.266 1.660 50 0 ADAARO CC(C)c1nnc([C@H]2CCC[NH2+]C2)o1 82530948 166646265 /nfs/dbraw/zinc/64/62/65/166646265.db2.gz UNVJLDQRNKOVPP-QMMMGPOBSA-N 1 0 195.266 1.660 50 0 ADAARO CC(C)c1noc(CCC[NH3+])n1 21950059 166648714 /nfs/dbraw/zinc/64/87/14/166648714.db2.gz YOYPVLGNWIMJJZ-UHFFFAOYSA-N 1 0 169.228 1.084 50 0 ADAARO CC(C)n1cc([C@@H]2C[C@H]2[NH3+])cn1 96509215 166649433 /nfs/dbraw/zinc/64/94/33/166649433.db2.gz WTXDURVWELXZKC-DTWKUNHWSA-N 1 0 165.240 1.279 50 0 ADAARO CC(C)n1cc([C@@H](C)[NH3+])cn1 26545947 166649819 /nfs/dbraw/zinc/64/98/19/166649819.db2.gz LNFYVTUMCGJYBN-SSDOTTSWSA-N 1 0 153.229 1.484 50 0 in-vitro ADAARO CC(C)n1cc([C@H]2C[C@H]2[NH3+])cn1 96509216 166651288 /nfs/dbraw/zinc/65/12/88/166651288.db2.gz WTXDURVWELXZKC-RKDXNWHRSA-N 1 0 165.240 1.279 50 0 ADAARO CC(C)n1cc([C@H]2C[C@@H]2[NH3+])cn1 96509214 166651431 /nfs/dbraw/zinc/65/14/31/166651431.db2.gz WTXDURVWELXZKC-BDAKNGLRSA-N 1 0 165.240 1.279 50 0 ADAARO CC(C)n1cnnc1[C@H]1CCC[NH2+]C1 54498205 166652909 /nfs/dbraw/zinc/65/29/09/166652909.db2.gz MRVFMSVVCABTMK-VIFPVBQESA-N 1 0 194.282 1.326 50 0 in-vitro ADAARO CC(C)n1ncc2c1CCC[C@@H]2[NH3+] 82826089 166653423 /nfs/dbraw/zinc/65/34/23/166653423.db2.gz WPLJKSTWCJWSFC-VIFPVBQESA-N 1 0 179.267 1.800 50 0 ADAARO CC(F)(F)C1CC[NH2+]CC1 107268336 166656267 /nfs/dbraw/zinc/65/62/67/166656267.db2.gz RZFOEIFAXSRNDJ-UHFFFAOYSA-N 1 0 149.184 1.641 50 0 ADAARO CC1(C)CC(C)(C[NH3+])C1 77260084 166669439 /nfs/dbraw/zinc/66/94/39/166669439.db2.gz IHCOUJACXWEJLE-UHFFFAOYSA-N 1 0 127.231 1.771 50 0 ADAARO CC1(C)CC([NH3+])C1 34421964 166669723 /nfs/dbraw/zinc/66/97/23/166669723.db2.gz ZZIYOZFERMXGHB-UHFFFAOYSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO CC1(C)CC2(CC[NH2+]CC2)CO1 85344393 166670329 /nfs/dbraw/zinc/67/03/29/166670329.db2.gz PKTOPEWHIUEXGV-UHFFFAOYSA-N 1 0 169.268 1.555 50 0 ADAARO CC1(C)CC(CCO)CC(C)(C)[NH2+]1 78175 166670669 /nfs/dbraw/zinc/67/06/69/166670669.db2.gz COEGBCJIXOPJHZ-UHFFFAOYSA-N 1 0 185.311 1.926 50 0 in-vitro ADAARO CC1(C)CC([NH3+])CC(C)(C)N1O 388403 166670752 /nfs/dbraw/zinc/67/07/52/166670752.db2.gz AYSOUYKQIUYGFR-UHFFFAOYSA-N 1 0 172.272 1.356 50 0 in-vitro ADAARO CC1(C)CC[NH2+]C1 19090928 166674779 /nfs/dbraw/zinc/67/47/79/166674779.db2.gz XBQNZPDIRJPFAI-UHFFFAOYSA-N 1 0 99.177 1.006 50 0 in-vitro ADAARO CC1(C)CCC[C@@](O)(C[NH3+])C1 48056658 166675731 /nfs/dbraw/zinc/67/57/31/166675731.db2.gz MLZLVMCHKUSCQC-VIFPVBQESA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO CC1(C)CC[C@@H](C[NH3+])C1 83825480 166677873 /nfs/dbraw/zinc/67/78/73/166677873.db2.gz CNGKJQOCQZBXEQ-SSDOTTSWSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO CC1(C)CN(CC(F)(F)F)CC[NH2+]1 82925777 166679127 /nfs/dbraw/zinc/67/91/27/166679127.db2.gz QPZMXULHSNQIOZ-UHFFFAOYSA-N 1 0 196.216 1.233 50 0 in-vitro ADAARO CC1(C)CC[C@H]1[NH3+] 143101593 166680276 /nfs/dbraw/zinc/68/02/76/166680276.db2.gz MMWAHLXGFZBYQU-RXMQYKEDSA-N 1 0 99.177 1.134 50 0 ADAARO CC1(C)C[NH2+][C@H]1[C@@H]1CCCO1 238853281 166682132 /nfs/dbraw/zinc/68/21/32/166682132.db2.gz IWMVINFJTHUWCN-YUMQZZPRSA-N 1 0 155.241 1.163 50 0 in-vitro ADAARO CC1(C)C[NH2+]CCS1 72284444 166682443 /nfs/dbraw/zinc/68/24/43/166682443.db2.gz FUGFMGKHXKOFDJ-UHFFFAOYSA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO CC1(C)C[NH2+]C(C)(C)C1 75522695 166682919 /nfs/dbraw/zinc/68/29/19/166682919.db2.gz FZIVTGCLMQWUJT-UHFFFAOYSA-N 1 0 127.231 1.785 50 0 ADAARO CC1(C)C[NH2+]CC2(CCCC2)O1 83460623 166683219 /nfs/dbraw/zinc/68/32/19/166683219.db2.gz RDANHLPHVGTRHP-UHFFFAOYSA-N 1 0 169.268 1.698 50 0 in-vitro ADAARO CC1(C)C[C@@H](O)C[C@](C)(C[NH3+])C1 405118 166685368 /nfs/dbraw/zinc/68/53/68/166685368.db2.gz YFEAYNIMJBHJCM-SCZZXKLOSA-N 1 0 171.284 1.522 50 0 ADAARO CC1(C)C[C@@H](C[NH3+])C(C)(C)N1O 409212 166685642 /nfs/dbraw/zinc/68/56/42/166685642.db2.gz RDUJJOXVBWKTHI-ZETCQYMHSA-N 1 0 172.272 1.213 50 0 in-vitro ADAARO CC1(C)C[C@@H]([NH3+])CCS1 75537684 166685739 /nfs/dbraw/zinc/68/57/39/166685739.db2.gz GTDGSFCJVDEMHY-LURJTMIESA-N 1 0 145.271 1.619 50 0 ADAARO CC1(C)C[C@@H](C[NH3+])CCO1 66055002 166685787 /nfs/dbraw/zinc/68/57/87/166685787.db2.gz PEBUOYQIAGLEJO-ZETCQYMHSA-N 1 0 143.230 1.150 50 0 in-vitro ADAARO CC1(C)C[C@@]1(C)[NH3+] 34128080 166688251 /nfs/dbraw/zinc/68/82/51/166688251.db2.gz JSLNMYHDORBKGU-ZCFIWIBFSA-N 1 0 99.177 1.134 50 0 ADAARO CC1(C)C[C@H](O)C[C@](C)(C[NH3+])C1 5190925 166689064 /nfs/dbraw/zinc/68/90/64/166689064.db2.gz YFEAYNIMJBHJCM-WPRPVWTQSA-N 1 0 171.284 1.522 50 0 ADAARO CC1(C)C[C@H]([NH3+])C(C)(C)O1 82707687 166689522 /nfs/dbraw/zinc/68/95/22/166689522.db2.gz DZFSGYLVKWWWMW-LURJTMIESA-N 1 0 143.230 1.291 50 0 in-vitro ADAARO CC1(C)C[C@H](CC[NH3+])CCO1 4834891 166689592 /nfs/dbraw/zinc/68/95/92/166689592.db2.gz YNLARGKXFPRJJK-MRVPVSSYSA-N 1 0 157.257 1.540 50 0 ADAARO CC1(C)C[C@H](C[NH3+])CCO1 66055001 166689713 /nfs/dbraw/zinc/68/97/13/166689713.db2.gz PEBUOYQIAGLEJO-SSDOTTSWSA-N 1 0 143.230 1.150 50 0 in-vitro ADAARO CC1(C)C[C@]1(C)C[NH3+] 76570367 166690813 /nfs/dbraw/zinc/69/08/13/166690813.db2.gz CHJLJWSJVBXKDI-SSDOTTSWSA-N 1 0 113.204 1.381 50 0 ADAARO CC1(C)C[C@]1(C)[NH3+] 34128082 166691300 /nfs/dbraw/zinc/69/13/00/166691300.db2.gz JSLNMYHDORBKGU-LURJTMIESA-N 1 0 99.177 1.134 50 0 ADAARO CC1(C)[NH2+]CC[C@@H]1N1CCCCC1 205361653 166693852 /nfs/dbraw/zinc/69/38/52/166693852.db2.gz OKAZFAKOCAOQDV-JTQLQIEISA-N 1 0 182.311 1.613 50 0 ADAARO CC1(C)N(O)C2=C(CCCC2)[N+]1=O 15985157 166694692 /nfs/dbraw/zinc/69/46/92/166694692.db2.gz LCBYNIARNHTPIY-UHFFFAOYSA-N 1 0 183.231 1.992 50 0 ADAARO CC1(CC[NH3+])CC1 82411885 166702999 /nfs/dbraw/zinc/70/29/99/166702999.db2.gz QTLHJKSNSNAIIC-UHFFFAOYSA-N 1 0 99.177 1.135 50 0 in-vitro ADAARO CC1(C2CC2)CC[NH2+]CC1 23789527 166703606 /nfs/dbraw/zinc/70/36/06/166703606.db2.gz SRRZYRBITLQSJY-UHFFFAOYSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO CC1(C2CC[NH2+]CC2)COC1 95630851 166704169 /nfs/dbraw/zinc/70/41/69/166704169.db2.gz QENYGWCEDFQCPN-UHFFFAOYSA-N 1 0 155.241 1.023 50 0 ADAARO CC1(Cc2ccccc2)C[NH2+]C1 49804756 166705245 /nfs/dbraw/zinc/70/52/45/166705245.db2.gz WRXQYWHXQSTUTA-UHFFFAOYSA-N 1 0 161.248 1.839 50 0 in-vitro ADAARO CC1([NH3+])CCCC1 32153141 166708999 /nfs/dbraw/zinc/70/89/99/166708999.db2.gz TWASBYPJZBHZQJ-UHFFFAOYSA-N 1 0 99.177 1.278 50 0 in-vitro ADAARO CC1([NH3+])CCCCC1 20216972 166709559 /nfs/dbraw/zinc/70/95/59/166709559.db2.gz YDBHSDRXUCPTQQ-UHFFFAOYSA-N 1 0 113.204 1.668 50 0 in-vitro ADAARO CC1(c2ccc(F)cc2)C[NH2+]C1 71495852 166710303 /nfs/dbraw/zinc/71/03/03/166710303.db2.gz ZWTIWUSOTHPXET-UHFFFAOYSA-N 1 0 165.211 1.687 50 0 ADAARO CC1(c2ccc(C[NH3+])cc2)OCCO1 113986904 166710821 /nfs/dbraw/zinc/71/08/21/166710821.db2.gz FNYJTLDRTBOOGQ-UHFFFAOYSA-N 1 0 193.246 1.365 50 0 in-vitro ADAARO CC1(c2ccccc2)C[NH2+]C1 5454584 166711787 /nfs/dbraw/zinc/71/17/87/166711787.db2.gz YOLLUMURPUEOJW-UHFFFAOYSA-N 1 0 147.221 1.548 50 0 in-vitro ADAARO CC1=CC(C)(C)SC(=[NH2+])N1 5416298 166720296 /nfs/dbraw/zinc/72/02/96/166720296.db2.gz SPXILDALAUEEHO-UHFFFAOYSA-N 1 0 156.254 1.730 50 0 ADAARO CC1=C[C@@H](O)N(c2ccc(C)cc2)[NH2+]1 1000064 166730988 /nfs/dbraw/zinc/73/09/88/166730988.db2.gz XKDIRIKFCMKAHX-LLVKDONJSA-N 1 0 190.246 1.542 50 0 ADAARO CC1=C[C@@H](C)C[NH2+]C1 104705530 166731008 /nfs/dbraw/zinc/73/10/08/166731008.db2.gz BTGJKEHAMBVEBR-ZCFIWIBFSA-N 1 0 111.188 1.172 50 0 in-vitro ADAARO CC1=C[C@H](C)[C@H](C[NH2+]CCO)[C@H](C)C1 4365693 166731532 /nfs/dbraw/zinc/73/15/32/166731532.db2.gz VOAIBLFABWQTSQ-TUAOUCFPSA-N 1 0 197.322 1.807 50 0 ADAARO CC1=C[C@H](O)N(c2cccc(C)c2)[NH2+]1 5755480 166732452 /nfs/dbraw/zinc/73/24/52/166732452.db2.gz DJLAIKMUFDTOFD-NSHDSACASA-N 1 0 190.246 1.542 50 0 ADAARO CC1CC(C)(C[NH3+])C1 77259998 166741086 /nfs/dbraw/zinc/74/10/86/166741086.db2.gz RFDRMEPBOMJDMJ-UHFFFAOYSA-N 1 0 113.204 1.381 50 0 ADAARO CC1CC(C)([NH3+])C1 96509280 166741628 /nfs/dbraw/zinc/74/16/28/166741628.db2.gz ZWMRWMKTTMIHRM-UHFFFAOYSA-N 1 0 99.177 1.134 50 0 ADAARO CC1CC([NH2+]Cc2ncc[nH]2)C1 128866356 166745143 /nfs/dbraw/zinc/74/51/43/166745143.db2.gz HMBPQINWRPCOIW-UHFFFAOYSA-N 1 0 165.240 1.298 50 0 ADAARO CC1CCC(C[NH3+])CC1 37245894 166745167 /nfs/dbraw/zinc/74/51/67/166745167.db2.gz ZMKGMRDHYTYLDH-UHFFFAOYSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO CC1CCC(CN)([NH+](C)C)CC1 38960055 166745191 /nfs/dbraw/zinc/74/51/91/166745191.db2.gz BJLJEBKJWXMKNP-UHFFFAOYSA-N 1 0 170.300 1.456 50 0 in-vitro ADAARO CC1CCN(C[C@H]2CCCC[NH2+]2)CC1 38971060 166748419 /nfs/dbraw/zinc/74/84/19/166748419.db2.gz VEHLLUFXJVRZFT-GFCCVEGCSA-N 1 0 196.338 1.860 50 0 ADAARO CC1CCN(C[C@@H]2CCC[NH2+]2)CC1 32556279 166748479 /nfs/dbraw/zinc/74/84/79/166748479.db2.gz BSCDPMBBVBXWJY-NSHDSACASA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO CC1CC[NH+]([C@@H](C)CN)CC1 38785094 166748802 /nfs/dbraw/zinc/74/88/02/166748802.db2.gz QTSXXNDKPSOUPU-VIFPVBQESA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO CC1CC[NH+](CCCO)CC1 15635593 166749541 /nfs/dbraw/zinc/74/95/41/166749541.db2.gz RFSWWKLQLYHXAB-UHFFFAOYSA-N 1 0 157.257 1.101 50 0 in-vitro ADAARO CC1CC[NH+]([C@@H](CN)C(C)C)CC1 22221154 166750895 /nfs/dbraw/zinc/75/08/95/166750895.db2.gz PKIPECFUQYPWAD-NSHDSACASA-N 1 0 184.327 1.702 50 0 ADAARO CC1CCN([C@@H]2CCC[NH2+]C2)CC1 37246807 166752191 /nfs/dbraw/zinc/75/21/91/166752191.db2.gz OFJFUSPUMDOMFN-LLVKDONJSA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO CC1CC[NH+]([C@H](CN)C(C)C)CC1 22221152 166752715 /nfs/dbraw/zinc/75/27/15/166752715.db2.gz PKIPECFUQYPWAD-LLVKDONJSA-N 1 0 184.327 1.702 50 0 ADAARO CCC(=O)NC1CC[NH+](C(C)C)CC1 16580699 166766764 /nfs/dbraw/zinc/76/67/64/166766764.db2.gz WDJAFQBHWUEXLA-UHFFFAOYSA-N 1 0 198.310 1.385 50 0 ADAARO CCC(=O)[C@H](C)C[NH+](C)C 33852749 166773555 /nfs/dbraw/zinc/77/35/55/166773555.db2.gz QVWGKOYVOZJNRJ-SSDOTTSWSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO CCC(=O)OCC[C@H]1CCC[NH2+]C1 42768962 166774454 /nfs/dbraw/zinc/77/44/54/166774454.db2.gz VHAFCQULNJOVGL-SECBINFHSA-N 1 0 185.267 1.329 50 0 ADAARO CCC(C)(C)C[NH3+] 32302571 166780171 /nfs/dbraw/zinc/78/01/71/166780171.db2.gz PZVPOYBHOPRJNP-UHFFFAOYSA-N 1 0 101.193 1.381 50 0 in-vitro ADAARO CCC(CC)(C[NH3+])OC 83401406 166786083 /nfs/dbraw/zinc/78/60/83/166786083.db2.gz AZAKCDQDYLRURP-UHFFFAOYSA-N 1 0 131.219 1.150 50 0 in-vitro ADAARO CCC(C)(C)[C@H](C)[NH3+] 34496803 166786110 /nfs/dbraw/zinc/78/61/10/166786110.db2.gz RNZOJMNUJVGQKF-LURJTMIESA-N 1 0 115.220 1.770 50 0 ADAARO CCC(CC)(CO)C[NH2+]C 19091437 166786541 /nfs/dbraw/zinc/78/65/41/166786541.db2.gz HPXWURQTDWCKPJ-UHFFFAOYSA-N 1 0 145.246 1.005 50 0 in-vitro ADAARO CCC(CC)[NH2+]C1CC1 20282223 166794895 /nfs/dbraw/zinc/79/48/95/166794895.db2.gz LKZWWXAWMBWTNV-UHFFFAOYSA-N 1 0 127.231 1.927 50 0 in-vitro ADAARO CCC(CC)[NH2+]CCOC 19881396 166795595 /nfs/dbraw/zinc/79/55/95/166795595.db2.gz NDKWAYMBWFBCJM-UHFFFAOYSA-N 1 0 145.246 1.411 50 0 in-vitro ADAARO CCC(CC)[NH2+]C 15443531 166795681 /nfs/dbraw/zinc/79/56/81/166795681.db2.gz IFFVNFLXNMUQEL-UHFFFAOYSA-N 1 0 101.193 1.394 50 0 in-vitro ADAARO CCC(CC)[C@@H](C)[NH3+] 38004340 166798211 /nfs/dbraw/zinc/79/82/11/166798211.db2.gz AFEDQQKVLBHDNO-ZCFIWIBFSA-N 1 0 115.220 1.770 50 0 ADAARO CCC(CC)[C@@H]1C[C@H]([NH3+])CCO1 69851047 166800475 /nfs/dbraw/zinc/80/04/75/166800475.db2.gz UHNVXBUVWKYCPX-ZJUUUORDSA-N 1 0 171.284 1.929 50 0 in-vitro ADAARO CCC([NH3+])CC 5023935 166802350 /nfs/dbraw/zinc/80/23/50/166802350.db2.gz PQPFFKCJENSZKL-UHFFFAOYSA-N 1 0 87.166 1.134 50 0 in-vitro ADAARO CCC1(CC)C[NH2+]CCS1 95829711 166805033 /nfs/dbraw/zinc/80/50/33/166805033.db2.gz FYKUTAONPLFPCD-UHFFFAOYSA-N 1 0 159.298 1.882 50 0 in-vitro ADAARO CCC1(C)C[NH2+]C1 86395205 166806156 /nfs/dbraw/zinc/80/61/56/166806156.db2.gz JCGWCOCQLMXRKE-UHFFFAOYSA-N 1 0 99.177 1.006 50 0 in-vitro ADAARO CCC1(CC)C[C@@H]1C[NH3+] 15635391 166806651 /nfs/dbraw/zinc/80/66/51/166806651.db2.gz ZNEANLRFEOLEAL-SSDOTTSWSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO CCC1(CC)[C@@H]([NH3+])C[C@H]1OC 78210765 166807102 /nfs/dbraw/zinc/80/71/02/166807102.db2.gz ACLMMZWSFWNWEH-JGVFFNPUSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO CCC1(C[NH3+])CCOCC1 34927131 166807329 /nfs/dbraw/zinc/80/73/29/166807329.db2.gz KLRKBAFQXKDRQU-UHFFFAOYSA-N 1 0 143.230 1.152 50 0 in-vitro ADAARO CCC1(C[NH3+])CC1 19091817 166807602 /nfs/dbraw/zinc/80/76/02/166807602.db2.gz DFEBPTMNVUHJRX-UHFFFAOYSA-N 1 0 99.177 1.135 50 0 in-vitro ADAARO CCC1(CC)[C@@H](OC)C[C@H]1[NH2+]C 78210752 166808183 /nfs/dbraw/zinc/80/81/83/166808183.db2.gz VDVUUMDIZGGZQM-BDAKNGLRSA-N 1 0 171.284 1.800 50 0 in-vitro ADAARO CCC1(CC)[C@@H]([NH3+])C[C@@H]1OC 78210763 166808221 /nfs/dbraw/zinc/80/82/21/166808221.db2.gz ACLMMZWSFWNWEH-YUMQZZPRSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO CCC1(CC)[C@H]([NH3+])[C@H](C)[C@H]1OC 238854234 166808308 /nfs/dbraw/zinc/80/83/08/166808308.db2.gz MZIZHDQBQJLHFU-DJLDLDEBSA-N 1 0 171.284 1.785 50 0 in-vitro ADAARO CCC1(CC)[C@@H](OC)C[C@H]1[NH3+] 78210762 166808671 /nfs/dbraw/zinc/80/86/71/166808671.db2.gz ACLMMZWSFWNWEH-SFYZADRCSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO CCC1(CC)[C@H]([NH3+])C[C@H]1OC 78210764 166808749 /nfs/dbraw/zinc/80/87/49/166808749.db2.gz ACLMMZWSFWNWEH-HTQZYQBOSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO CCC1(O)CCC([NH3+])CC1 84323518 166809245 /nfs/dbraw/zinc/80/92/45/166809245.db2.gz QQGROHHLFCWPOM-UHFFFAOYSA-N 1 0 143.230 1.029 50 0 in-vitro ADAARO CCC1CCC([NH3+])CC1 1716448 166812180 /nfs/dbraw/zinc/81/21/80/166812180.db2.gz IKQCKANHUYSABG-UHFFFAOYSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO CCC1CC[NH2+]CC1 1748855 166816570 /nfs/dbraw/zinc/81/65/70/166816570.db2.gz KWHPWBXOLZTZMJ-UHFFFAOYSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO CCCC(=O)Nc1cccc(C[NH3+])c1 19282032 166832712 /nfs/dbraw/zinc/83/27/12/166832712.db2.gz IBKRIBSFDHCCTA-UHFFFAOYSA-N 1 0 192.262 1.884 50 0 ADAARO CCCC(O)(C[NH3+])CCC 35278836 166836996 /nfs/dbraw/zinc/83/69/96/166836996.db2.gz CIYZVUKFSLLVBP-UHFFFAOYSA-N 1 0 145.246 1.276 50 0 in-vitro ADAARO CCCC([NH3+])CCC 2006936 166837539 /nfs/dbraw/zinc/83/75/39/166837539.db2.gz CLJMMQGDJNYDER-UHFFFAOYSA-N 1 0 115.220 1.914 50 0 ADAARO CCCC1([NH3+])CCC1 78724979 166839256 /nfs/dbraw/zinc/83/92/56/166839256.db2.gz WFQKWBZAISFMEP-UHFFFAOYSA-N 1 0 113.204 1.668 50 0 ADAARO CCCC1(C[NH3+])CCC1 19091830 166840685 /nfs/dbraw/zinc/84/06/85/166840685.db2.gz OGRSNFHWCCXCGE-UHFFFAOYSA-N 1 0 127.231 1.916 50 0 in-vitro ADAARO CCCCC(C)(C)[NH3+] 1841133 166845115 /nfs/dbraw/zinc/84/51/15/166845115.db2.gz QHZRZIWCGRXBRY-UHFFFAOYSA-N 1 0 115.220 1.914 50 0 ADAARO CCCCC(=O)NCCC[NH+](C)C 6039671 166845236 /nfs/dbraw/zinc/84/52/36/166845236.db2.gz JANVZYBIJJEEJF-UHFFFAOYSA-N 1 0 186.299 1.245 50 0 ADAARO CCCCC1([NH3+])CC1 71483007 166846823 /nfs/dbraw/zinc/84/68/23/166846823.db2.gz PUUGBPNQGGDVES-UHFFFAOYSA-N 1 0 113.204 1.668 50 0 ADAARO CCCCCC[NH2+]CCO 2168757 166852255 /nfs/dbraw/zinc/85/22/55/166852255.db2.gz MCIKGVLBLIZYRY-UHFFFAOYSA-N 1 0 145.246 1.149 50 0 in-vitro ADAARO CCCCCC[NH2+]C 2009340 166852374 /nfs/dbraw/zinc/85/23/74/166852374.db2.gz XJINZNWPEQMMBV-UHFFFAOYSA-N 1 0 115.220 1.786 50 0 in-vitro ADAARO CCCCCCOCCC[NH3+] 1685528 166855834 /nfs/dbraw/zinc/85/58/34/166855834.db2.gz NWGJTXNNXLHFSE-UHFFFAOYSA-N 1 0 159.273 1.932 50 0 in-vitro ADAARO CCCCC[NH2+][C@H](CCO)C1CC1 95941336 166866545 /nfs/dbraw/zinc/86/65/45/166866545.db2.gz KXGMZTIIGGXSRG-LLVKDONJSA-N 1 0 185.311 1.927 50 0 ADAARO CCCCCOC[C@H]1CC[NH2+]C1 42771778 166868950 /nfs/dbraw/zinc/86/89/50/166868950.db2.gz AWKBZSLWCIKPQF-JTQLQIEISA-N 1 0 171.284 1.803 50 0 ADAARO CCCCCO[C@@H]1CC[NH2+]C1 42775965 166869111 /nfs/dbraw/zinc/86/91/11/166869111.db2.gz IHVCGHAVKWEDNH-SECBINFHSA-N 1 0 157.257 1.555 50 0 ADAARO CCCCC[C@H](C)[NH3+] 2015538 166874185 /nfs/dbraw/zinc/87/41/85/166874185.db2.gz VSRBKQFNFZQRBM-ZETCQYMHSA-N 1 0 115.220 1.914 50 0 in-man ADAARO CCCCC[n+]1ccc(C(N)=O)cc1 1726542 166875714 /nfs/dbraw/zinc/87/57/14/166875714.db2.gz RIGKODHAQLMOLB-UHFFFAOYSA-O 1 0 193.270 1.263 50 0 ADAARO CCCCC[n+]1ccn(C)c1 34535641 166877498 /nfs/dbraw/zinc/87/74/98/166877498.db2.gz LSFWFJFDPRFPBK-UHFFFAOYSA-N 1 0 153.249 1.503 50 0 in-vitro ADAARO CCCCN(C)C[C@@H]1CCC[NH2+]1 39141113 166883253 /nfs/dbraw/zinc/88/32/53/166883253.db2.gz GUSBTRIFRKGHEA-JTQLQIEISA-N 1 0 170.300 1.470 50 0 ADAARO CCCC[N@@H+]1CCCC[C@H]1CN 19843352 166888201 /nfs/dbraw/zinc/88/82/01/166888201.db2.gz RNIKYSSEZFTHHG-JTQLQIEISA-N 1 0 170.300 1.600 50 0 in-vitro ADAARO CCCCNC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 19434756 166895593 /nfs/dbraw/zinc/89/55/93/166895593.db2.gz VWMDCAFVHXEDOP-NXEZZACHSA-N 1 0 198.310 1.291 50 0 in-vitro ADAARO CCCC[NH2+]CCC 2146751 166897256 /nfs/dbraw/zinc/89/72/56/166897256.db2.gz CWYZDPHNAGSFQB-UHFFFAOYSA-N 1 0 115.220 1.786 50 0 ADAARO CCCC[NH2+]CC 2019687 166898078 /nfs/dbraw/zinc/89/80/78/166898078.db2.gz QHCCDDQKNUYGNC-UHFFFAOYSA-N 1 0 101.193 1.396 50 0 ADAARO CCCC[NH2+]CC(=O)C(C)(C)C 7261607 166898463 /nfs/dbraw/zinc/89/84/63/166898463.db2.gz CMXZMKCCOQXVAK-UHFFFAOYSA-N 1 0 171.284 1.991 50 0 ADAARO CCCCNC1=[NH+]CCCS1 3886007 166898498 /nfs/dbraw/zinc/89/84/98/166898498.db2.gz VJGAOKNEAWCDSK-UHFFFAOYSA-N 1 0 172.297 1.869 50 0 ADAARO CCCCOC1CC[NH2+]CC1 14631874 166905451 /nfs/dbraw/zinc/90/54/51/166905451.db2.gz XGPJZKQGJWZWIM-UHFFFAOYSA-N 1 0 157.257 1.555 50 0 in-vitro ADAARO CCCCOC[C@@H]1CC[NH2+]C1 42771757 166907546 /nfs/dbraw/zinc/90/75/46/166907546.db2.gz RSZBXCACGNFVPQ-SECBINFHSA-N 1 0 157.257 1.413 50 0 ADAARO CCCCO[C@@H]1CC[NH2+]C1 14632020 166907563 /nfs/dbraw/zinc/90/75/63/166907563.db2.gz WCVWKQFHZQBECR-MRVPVSSYSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO CCCCO[C@H]1CCC[NH2+]C1 14631573 166909642 /nfs/dbraw/zinc/90/96/42/166909642.db2.gz WFTCSRKIJRCDCV-VIFPVBQESA-N 1 0 157.257 1.555 50 0 in-vitro ADAARO CCCC[C@@H](C)[NH3+] 1641026 166914009 /nfs/dbraw/zinc/91/40/09/166914009.db2.gz WGBBUURBHXLGFM-ZCFIWIBFSA-N 1 0 101.193 1.524 50 0 ADAARO CCCC[C@@H](C[NH3+])C(=O)OCC 2511922 166917074 /nfs/dbraw/zinc/91/70/74/166917074.db2.gz WAOJEHBDRPGNNT-QMMMGPOBSA-N 1 0 173.256 1.315 50 0 ADAARO CCCC[C@@H]1CC[NH2+]C1 6658220 166919986 /nfs/dbraw/zinc/91/99/86/166919986.db2.gz KJQYMASXDMSGQU-MRVPVSSYSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO CCCC[n+]1ccn(C)c1 15783059 166935682 /nfs/dbraw/zinc/93/56/82/166935682.db2.gz IQQRAVYLUAZUGX-UHFFFAOYSA-N 1 0 139.222 1.113 50 0 in-vitro ADAARO CCC[NH+](C)CCC 2564045 166942192 /nfs/dbraw/zinc/94/21/92/166942192.db2.gz UVBMZKBIZUWTLV-UHFFFAOYSA-N 1 0 115.220 1.738 50 0 in-vitro ADAARO CCC[NH+](CCC)C[C@H](O)CC 2171090 166953519 /nfs/dbraw/zinc/95/35/19/166953519.db2.gz SVAFAARLUVWPAQ-SNVBAGLBSA-N 1 0 173.300 1.879 50 0 ADAARO CCC[NH+](CCC)CCCCO 1649051 166954299 /nfs/dbraw/zinc/95/42/99/166954299.db2.gz KYNWWRBJIBSVBX-UHFFFAOYSA-N 1 0 173.300 1.881 50 0 in-vitro ADAARO CCC[NH+]1CCC(C(=O)N(C)C)CC1 58358052 166963604 /nfs/dbraw/zinc/96/36/04/166963604.db2.gz MRBBBJALTBPAOM-UHFFFAOYSA-N 1 0 198.310 1.197 50 0 ADAARO CCC[NH+]1CCC(NC(=O)CC)CC1 16603890 166963742 /nfs/dbraw/zinc/96/37/42/166963742.db2.gz JTUMPVDXPAQXDD-UHFFFAOYSA-N 1 0 198.310 1.387 50 0 ADAARO CCC[NH2+]C[C@@H]1Cc2ccccc2O1 36947862 166990873 /nfs/dbraw/zinc/99/08/73/166990873.db2.gz QWKVGBXXBFHXEK-NSHDSACASA-N 1 0 191.274 1.990 50 0 in-vitro ADAARO CCC[NH2+]Cc1cccn1C 7262417 166991524 /nfs/dbraw/zinc/99/15/24/166991524.db2.gz LECWACAOJPCZHO-UHFFFAOYSA-N 1 0 152.241 1.525 50 0 ADAARO CCC[NH2+]C[C@@H]1CCCCO1 35151074 166991729 /nfs/dbraw/zinc/99/17/29/166991729.db2.gz WKGWUINPAIIGNQ-VIFPVBQESA-N 1 0 157.257 1.555 50 0 in-vitro ADAARO CCC[NH2+]Cc1ccncc1 6869116 166993289 /nfs/dbraw/zinc/99/32/89/166993289.db2.gz AGSCVLYVYOYYLU-UHFFFAOYSA-N 1 0 150.225 1.581 50 0 in-vitro ADAARO CCC[NH2+][C@@H]1CCO[C@@H]1C 96033407 166999099 /nfs/dbraw/zinc/99/90/99/166999099.db2.gz GWEULZGVXSSNFE-HTQZYQBOSA-N 1 0 143.230 1.163 50 0 ADAARO CCC[NH2+][C@H](C)CC 2522808 167000863 /nfs/dbraw/zinc/00/08/63/167000863.db2.gz QYNZYUUXSVZDJO-SSDOTTSWSA-N 1 0 115.220 1.785 50 0 in-vitro ADAARO CCC[NH2+][C@H]1CCO[C@@H]1C 96033408 167001931 /nfs/dbraw/zinc/00/19/31/167001931.db2.gz GWEULZGVXSSNFE-SFYZADRCSA-N 1 0 143.230 1.163 50 0 ADAARO CCC[NH2+][C@H]1CCO[C@H]1C 96033410 167002336 /nfs/dbraw/zinc/00/23/36/167002336.db2.gz GWEULZGVXSSNFE-YUMQZZPRSA-N 1 0 143.230 1.163 50 0 ADAARO CCC[NH2+][C@H]1C(=O)Nc2ccccc21 100643036 167003640 /nfs/dbraw/zinc/00/36/40/167003640.db2.gz IYBZFUAHHZTKDG-SNVBAGLBSA-N 1 0 190.246 1.679 50 0 ADAARO CCCNc1ccc(C[NH3+])cc1 50423096 167006763 /nfs/dbraw/zinc/00/67/63/167006763.db2.gz SQFBJLJLNYEIJL-UHFFFAOYSA-N 1 0 164.252 1.967 50 0 in-vitro ADAARO CCCOC(=O)NCCC[NH+](C)C 2013333 167012221 /nfs/dbraw/zinc/01/22/21/167012221.db2.gz WZZLDXDUQPOXNW-UHFFFAOYSA-N 1 0 188.271 1.074 50 0 in-vitro ADAARO CCCOC1CC[NH2+]CC1 88243218 167012810 /nfs/dbraw/zinc/01/28/10/167012810.db2.gz VOWMRECKIQVVPP-UHFFFAOYSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO CCCOCCC1CC[NH2+]CC1 14632381 167013072 /nfs/dbraw/zinc/01/30/72/167013072.db2.gz DSSQRRDWUPHBIC-UHFFFAOYSA-N 1 0 171.284 1.803 50 0 ADAARO CCCOC[C@H]([NH3+])C(C)C 19735450 167013102 /nfs/dbraw/zinc/01/31/02/167013102.db2.gz LIMIEQPCHJRHPA-QMMMGPOBSA-N 1 0 145.246 1.396 50 0 in-vitro ADAARO CCCOCCOC1CC[NH2+]CC1 42776093 167013225 /nfs/dbraw/zinc/01/32/25/167013225.db2.gz FAPPZXXIIAZABW-UHFFFAOYSA-N 1 0 187.283 1.182 50 0 ADAARO CCCOCCO[C@H]1CCC[NH2+]C1 42776089 167013328 /nfs/dbraw/zinc/01/33/28/167013328.db2.gz MAIXYIHSFOSMQV-JTQLQIEISA-N 1 0 187.283 1.182 50 0 ADAARO CCCOC[C@@H]1CC[NH2+]C1 14632399 167013630 /nfs/dbraw/zinc/01/36/30/167013630.db2.gz PSEAKSBJJHAVGC-MRVPVSSYSA-N 1 0 143.230 1.023 50 0 in-vitro ADAARO CCCOCCO[C@@H]1CCC[NH2+]C1 42776085 167013690 /nfs/dbraw/zinc/01/36/90/167013690.db2.gz MAIXYIHSFOSMQV-SNVBAGLBSA-N 1 0 187.283 1.182 50 0 ADAARO CCCOCC[C@H]1CCCC[NH2+]1 14632310 167013759 /nfs/dbraw/zinc/01/37/59/167013759.db2.gz XQPFMRFBEAVADW-SNVBAGLBSA-N 1 0 171.284 1.945 50 0 ADAARO CCCOC[C@H]1CC[NH2+]C1 14632400 167013771 /nfs/dbraw/zinc/01/37/71/167013771.db2.gz PSEAKSBJJHAVGC-QMMMGPOBSA-N 1 0 143.230 1.023 50 0 in-vitro ADAARO CCCOCC[C@H]1CCC[NH2+]C1 14632346 167013909 /nfs/dbraw/zinc/01/39/09/167013909.db2.gz SLXXBHSUCJCFOF-SNVBAGLBSA-N 1 0 171.284 1.803 50 0 in-vitro ADAARO CCCOC[C@@H]([NH3+])C(C)C 19735449 167013914 /nfs/dbraw/zinc/01/39/14/167013914.db2.gz LIMIEQPCHJRHPA-MRVPVSSYSA-N 1 0 145.246 1.396 50 0 in-vitro ADAARO CCCOCCOC[C@H]1CC[NH2+]C1 42772140 167013954 /nfs/dbraw/zinc/01/39/54/167013954.db2.gz KKGAIIRVIFOAMO-JTQLQIEISA-N 1 0 187.283 1.039 50 0 ADAARO CCCOCC[C@@H]1CCCC[NH2+]1 14632309 167014433 /nfs/dbraw/zinc/01/44/33/167014433.db2.gz XQPFMRFBEAVADW-JTQLQIEISA-N 1 0 171.284 1.945 50 0 ADAARO CCCOCCOC[C@@H]1CC[NH2+]C1 42772136 167014878 /nfs/dbraw/zinc/01/48/78/167014878.db2.gz KKGAIIRVIFOAMO-SNVBAGLBSA-N 1 0 187.283 1.039 50 0 ADAARO CCCOCC1CC[NH2+]CC1 12138129 167014993 /nfs/dbraw/zinc/01/49/93/167014993.db2.gz FMIMGQMLQBJZDK-UHFFFAOYSA-N 1 0 157.257 1.413 50 0 in-vitro ADAARO CCCO[C@@H](CC)C[NH3+] 14628612 167015113 /nfs/dbraw/zinc/01/51/13/167015113.db2.gz PZXFAZGXLLWXPL-ZETCQYMHSA-N 1 0 131.219 1.150 50 0 ADAARO CCCOCC[C@@H]1CCC[NH2+]C1 14632345 167015425 /nfs/dbraw/zinc/01/54/25/167015425.db2.gz SLXXBHSUCJCFOF-JTQLQIEISA-N 1 0 171.284 1.803 50 0 in-vitro ADAARO CCCO[C@H]1CCC[NH2+]CC1 60276644 167015908 /nfs/dbraw/zinc/01/59/08/167015908.db2.gz QBTPBTNBMUKZBB-VIFPVBQESA-N 1 0 157.257 1.555 50 0 in-vitro ADAARO CCCO[C@H](CC)C[NH3+] 14628614 167015995 /nfs/dbraw/zinc/01/59/95/167015995.db2.gz PZXFAZGXLLWXPL-SSDOTTSWSA-N 1 0 131.219 1.150 50 0 ADAARO CCCO[C@H]1CCC[NH2+]C1 6667688 167016412 /nfs/dbraw/zinc/01/64/12/167016412.db2.gz LFSCFVYWENCMOK-QMMMGPOBSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO CCCO[C@@H]1CCC[NH2+]C1 6667687 167016425 /nfs/dbraw/zinc/01/64/25/167016425.db2.gz LFSCFVYWENCMOK-MRVPVSSYSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO CCCO[C@@H]1CCC[NH2+]CC1 60276641 167016881 /nfs/dbraw/zinc/01/68/81/167016881.db2.gz QBTPBTNBMUKZBB-SECBINFHSA-N 1 0 157.257 1.555 50 0 in-vitro ADAARO CCCOc1cc(C[NH3+])ccn1 37024543 167017157 /nfs/dbraw/zinc/01/71/57/167017157.db2.gz HOAFNKRIFRLRJI-UHFFFAOYSA-N 1 0 166.224 1.329 50 0 in-vitro ADAARO CCCOc1c(C[NH3+])cccc1OC 4227548 167017479 /nfs/dbraw/zinc/01/74/79/167017479.db2.gz VXSLHHFERMFXCM-UHFFFAOYSA-N 1 0 195.262 1.943 50 0 in-vitro ADAARO CCCOc1ccc(C[NH3+])cc1 2524633 167018221 /nfs/dbraw/zinc/01/82/21/167018221.db2.gz RBILQKHLZVEMQD-UHFFFAOYSA-N 1 0 165.236 1.934 50 0 in-vitro ADAARO CCCOc1cccc(C[NH3+])c1 4227550 167018718 /nfs/dbraw/zinc/01/87/18/167018718.db2.gz FZZHOOAJILNNEV-UHFFFAOYSA-N 1 0 165.236 1.934 50 0 in-vitro ADAARO CCCOc1ccc(CC(N)=[NH2+])cc1 2493806 167018897 /nfs/dbraw/zinc/01/88/97/167018897.db2.gz KJIKNPYMQRUBNQ-UHFFFAOYSA-N 1 0 192.262 1.954 50 0 in-vitro ADAARO CCCOc1ccc(CC[NH3+])cc1 11805749 167019114 /nfs/dbraw/zinc/01/91/14/167019114.db2.gz SZJABXMYJCXZGW-UHFFFAOYSA-N 1 0 179.263 1.977 50 0 in-vitro ADAARO CCCOc1cccc(CC[NH3+])c1 11805753 167019156 /nfs/dbraw/zinc/01/91/56/167019156.db2.gz CDJFWESZVLIVIS-UHFFFAOYSA-N 1 0 179.263 1.977 50 0 in-vitro ADAARO CCCOc1ccc(C[NH3+])cc1OC 8728888 167019417 /nfs/dbraw/zinc/01/94/17/167019417.db2.gz AVHROBKUOLOYAR-UHFFFAOYSA-N 1 0 195.262 1.943 50 0 ADAARO CCCOc1ccc(C[NH3+])cn1 37024541 167019574 /nfs/dbraw/zinc/01/95/74/167019574.db2.gz MZGGIWMWLZNQIX-UHFFFAOYSA-N 1 0 166.224 1.329 50 0 in-vitro ADAARO CCCOc1ccc([C@@H]([NH3+])CO)cc1 12404653 167020028 /nfs/dbraw/zinc/02/00/28/167020028.db2.gz XORDMQJDGXLWSM-NSHDSACASA-N 1 0 195.262 1.468 50 0 ADAARO CCCOc1ccc([C@H]([NH3+])CO)cc1 12404654 167020037 /nfs/dbraw/zinc/02/00/37/167020037.db2.gz XORDMQJDGXLWSM-LLVKDONJSA-N 1 0 195.262 1.468 50 0 ADAARO CCCOc1ccc(C(N)=[NH2+])cc1 19519469 167020076 /nfs/dbraw/zinc/02/00/76/167020076.db2.gz YMWQPEHRVZJEHC-UHFFFAOYSA-N 1 0 178.235 1.759 50 0 ADAARO CCCOc1cccnc1C(N)=[NH2+] 71186692 167020707 /nfs/dbraw/zinc/02/07/07/167020707.db2.gz MNVAXDFPFGLGBP-UHFFFAOYSA-N 1 0 179.223 1.154 50 0 ADAARO CCCOc1ccccc1C[NH3+] 19092293 167020901 /nfs/dbraw/zinc/02/09/01/167020901.db2.gz OGRKHGGNPBWHSN-UHFFFAOYSA-N 1 0 165.236 1.934 50 0 in-vitro ADAARO CCCOc1cccc2c1OC[C@H]2[NH3+] 35655262 167021195 /nfs/dbraw/zinc/02/11/95/167021195.db2.gz UFBRLOJZQZFSRD-SECBINFHSA-N 1 0 193.246 1.868 50 0 ADAARO CCCOc1ccccc1CC[NH3+] 37720497 167021220 /nfs/dbraw/zinc/02/12/20/167021220.db2.gz RIOAQSIIMGNKRX-UHFFFAOYSA-N 1 0 179.263 1.977 50 0 in-vitro ADAARO CCCOc1cccc2c1OC[C@@H]2[NH3+] 35655260 167022120 /nfs/dbraw/zinc/02/21/20/167022120.db2.gz UFBRLOJZQZFSRD-VIFPVBQESA-N 1 0 193.246 1.868 50 0 ADAARO CCCOc1ncccc1C[NH3+] 37024539 167022467 /nfs/dbraw/zinc/02/24/67/167022467.db2.gz VCBKKULUQVXVMF-UHFFFAOYSA-N 1 0 166.224 1.329 50 0 in-vitro ADAARO CCCOc1c[nH]c(C[NH3+])cc1=O 36139703 167022660 /nfs/dbraw/zinc/02/26/60/167022660.db2.gz GLGMVOGRCKXWRQ-UHFFFAOYSA-N 1 0 182.223 1.035 50 0 ADAARO CCCSCC[NH3+] 19480321 167024031 /nfs/dbraw/zinc/02/40/31/167024031.db2.gz KHHKBTRFZTUVRD-UHFFFAOYSA-N 1 0 119.233 1.088 50 0 in-vitro ADAARO CCCSC(N)=[NH2+] 1887643 167024589 /nfs/dbraw/zinc/02/45/89/167024589.db2.gz JKHAGQZCIAFTOX-UHFFFAOYSA-N 1 0 118.205 1.023 50 0 ADAARO CCCSCCCC[NH3+] 35722441 167025141 /nfs/dbraw/zinc/02/51/41/167025141.db2.gz BAGQLVMIVMSQQY-UHFFFAOYSA-N 1 0 147.287 1.869 50 0 ADAARO CCCSc1nc(N)cc(N)[nH+]1 40414828 167026669 /nfs/dbraw/zinc/02/66/69/167026669.db2.gz ZYYJYFOZONDZCB-UHFFFAOYSA-N 1 0 184.268 1.143 50 0 ADAARO CCC[C@@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 41028117 167026681 /nfs/dbraw/zinc/02/66/81/167026681.db2.gz YHYYGUIQAPXHBW-NXEZZACHSA-N 1 0 198.310 1.372 50 0 ADAARO CCC[C@@H](C)C(N)=[NH2+] 95942546 167026710 /nfs/dbraw/zinc/02/67/10/167026710.db2.gz GKRFOKIVXNRQAF-RXMQYKEDSA-N 1 0 114.192 1.359 50 0 in-vitro ADAARO CCC[C@@H](C)C(=O)N1CCC[C@H]([NH3+])C1 41028115 167027994 /nfs/dbraw/zinc/02/79/94/167027994.db2.gz YHYYGUIQAPXHBW-ZJUUUORDSA-N 1 0 198.310 1.372 50 0 ADAARO CCC[C@@H](C)CC[NH3+] 5837742 167028367 /nfs/dbraw/zinc/02/83/67/167028367.db2.gz AWBMXILPKKHYSO-SSDOTTSWSA-N 1 0 115.220 1.771 50 0 ADAARO CCC[C@@H](C)C[NH2+]C 20083829 167029660 /nfs/dbraw/zinc/02/96/60/167029660.db2.gz WPXMLBDVHIFOPP-SSDOTTSWSA-N 1 0 115.220 1.642 50 0 ADAARO CCC[C@@H](C)[NH3+] 1693430 167032207 /nfs/dbraw/zinc/03/22/07/167032207.db2.gz IGEIPFLJVCPEKU-RXMQYKEDSA-N 1 0 87.166 1.134 50 0 in-vitro ADAARO CCC[C@@H](C)[NH2+]C 14628450 167032335 /nfs/dbraw/zinc/03/23/35/167032335.db2.gz IPBXLJFBVNLKFE-ZCFIWIBFSA-N 1 0 101.193 1.394 50 0 in-vitro ADAARO CCC[C@@H](C)NC(=O)[C@H]1CCC[NH2+]C1 19412343 167032757 /nfs/dbraw/zinc/03/27/57/167032757.db2.gz YLIYWLXRVYTZOL-ZJUUUORDSA-N 1 0 198.310 1.291 50 0 in-vitro ADAARO CCC[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 19412339 167034057 /nfs/dbraw/zinc/03/40/57/167034057.db2.gz YLIYWLXRVYTZOL-NXEZZACHSA-N 1 0 198.310 1.291 50 0 in-vitro ADAARO CCC[C@@H](C)[NH+]1CCNCC1 22029059 167034088 /nfs/dbraw/zinc/03/40/88/167034088.db2.gz QTPGFCVQPIPHFA-SECBINFHSA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO CCC[C@@H](C)[C@@H](C)[NH3+] 5838029 167034841 /nfs/dbraw/zinc/03/48/41/167034841.db2.gz WVYNIWHEHBSTSB-RNFRBKRXSA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO CCC[C@@H](C)[NH2+]CC 19091323 167036628 /nfs/dbraw/zinc/03/66/28/167036628.db2.gz MVAOLFCQWQECDS-SSDOTTSWSA-N 1 0 115.220 1.785 50 0 in-vitro ADAARO CCC[C@@H](C)[C@H](C)[NH3+] 5838095 167038517 /nfs/dbraw/zinc/03/85/17/167038517.db2.gz WVYNIWHEHBSTSB-RQJHMYQMSA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO CCC[C@@H]([NH3+])CC 5649321 167043457 /nfs/dbraw/zinc/04/34/57/167043457.db2.gz HQLZFBUAULNEGP-LURJTMIESA-N 1 0 101.193 1.524 50 0 in-vitro ADAARO CCC[C@@H]([NH3+])CC(=O)OCC 2511919 167044064 /nfs/dbraw/zinc/04/40/64/167044064.db2.gz FJAZKEFQZOZJJO-SSDOTTSWSA-N 1 0 159.229 1.067 50 0 in-vitro ADAARO CCC[C@@H]([NH3+])C1CCC1 78677670 167044381 /nfs/dbraw/zinc/04/43/81/167044381.db2.gz SZDUAKJSWLZNOD-MRVPVSSYSA-N 1 0 127.231 1.914 50 0 ADAARO CCC[C@@H]([NH3+])C(=O)c1ccccc1 6381184 167044488 /nfs/dbraw/zinc/04/44/88/167044488.db2.gz AHHLVTFOIFDGKS-SNVBAGLBSA-N 1 0 177.247 1.997 50 0 ADAARO CCC[C@@H]([NH3+])C(=O)N1CCCCCC1 36872613 167045134 /nfs/dbraw/zinc/04/51/34/167045134.db2.gz NNRYMYVIDWKDMA-SNVBAGLBSA-N 1 0 198.310 1.516 50 0 ADAARO CCC[C@@H]([NH3+])C(=O)Nc1nccs1 36872565 167045181 /nfs/dbraw/zinc/04/51/81/167045181.db2.gz RTGNRQVQPOLBCS-ZCFIWIBFSA-N 1 0 199.279 1.209 50 0 in-vitro ADAARO CCC[C@@H]([NH3+])c1nnc2ccccn12 36830781 167046143 /nfs/dbraw/zinc/04/61/43/167046143.db2.gz RBOYUUKZWTVYLX-MRVPVSSYSA-N 1 0 190.250 1.529 50 0 in-vitro ADAARO CCC[C@@H]([NH3+])c1ccncc1 37466428 167047454 /nfs/dbraw/zinc/04/74/54/167047454.db2.gz UVQRWTNCVQBRPK-SECBINFHSA-N 1 0 150.225 1.882 50 0 ADAARO CCC[C@@H]([NH3+])c1ccccn1 37466275 167047877 /nfs/dbraw/zinc/04/78/77/167047877.db2.gz BFKHSLAQEYFTPC-MRVPVSSYSA-N 1 0 150.225 1.882 50 0 in-vitro ADAARO CCC[C@@H]([NH3+])c1nccn1C 19092174 167048323 /nfs/dbraw/zinc/04/83/23/167048323.db2.gz FBTHRJBKKWLZTR-SSDOTTSWSA-N 1 0 153.229 1.220 50 0 ADAARO CCC[C@@H]([NH3+])[C@H](O)c1ccccc1 1707602 167048581 /nfs/dbraw/zinc/04/85/81/167048581.db2.gz JBCQBAFOLVIDBV-GHMZBOCLSA-N 1 0 179.263 1.847 50 0 in-vitro ADAARO CCC[C@@H]([NH3+])c1cccnc1 37466364 167048632 /nfs/dbraw/zinc/04/86/32/167048632.db2.gz DFVSEQGCMQSLKO-SECBINFHSA-N 1 0 150.225 1.882 50 0 ADAARO CCC[C@@H]([NH3+])[C@@H](O)c1ccccc1 1707604 167048663 /nfs/dbraw/zinc/04/86/63/167048663.db2.gz JBCQBAFOLVIDBV-MNOVXSKESA-N 1 0 179.263 1.847 50 0 in-vitro ADAARO CCC[C@@H]1CC[NH2+]C1 19090922 167051981 /nfs/dbraw/zinc/05/19/81/167051981.db2.gz RKFKEXKTXWGBCN-SSDOTTSWSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO CCC[C@@H]1CC[C@H]([NH3+])C1 70636471 167052393 /nfs/dbraw/zinc/05/23/93/167052393.db2.gz BFYOROQYERCOPW-SFYZADRCSA-N 1 0 127.231 1.914 50 0 ADAARO CCC[C@@H]1C=CC[NH2+]1 19093043 167052476 /nfs/dbraw/zinc/05/24/76/167052476.db2.gz AOTYBMVEFSQQPM-SSDOTTSWSA-N 1 0 111.188 1.315 50 0 in-vitro ADAARO CCC[C@@H]1CCC[NH2+]1 2582565 167052543 /nfs/dbraw/zinc/05/25/43/167052543.db2.gz ICALDHCMXFGLBN-SSDOTTSWSA-N 1 0 113.204 1.539 50 0 in-vitro ADAARO CCC[C@@H]1CC[NH2+]1 44257571 167052776 /nfs/dbraw/zinc/05/27/76/167052776.db2.gz OGZXOVGUHFDHOO-ZCFIWIBFSA-N 1 0 99.177 1.148 50 0 ADAARO CCC[C@@H]1CC(=O)CC[NH2+]1 75528219 167053162 /nfs/dbraw/zinc/05/31/62/167053162.db2.gz XXIZHKUVYWRPMH-SSDOTTSWSA-N 1 0 141.214 1.108 50 0 in-vitro ADAARO CCC[C@@H]1CCC[NH2+]C1 5839570 167053732 /nfs/dbraw/zinc/05/37/32/167053732.db2.gz CRZUKKNUMNKBFJ-MRVPVSSYSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO CCC[C@@H]1CC[C@@H]([NH3+])C1 70636475 167053771 /nfs/dbraw/zinc/05/37/71/167053771.db2.gz BFYOROQYERCOPW-HTQZYQBOSA-N 1 0 127.231 1.914 50 0 ADAARO CCC[C@@H]1CCCC[NH2+]1 896223 167053931 /nfs/dbraw/zinc/05/39/31/167053931.db2.gz NDNUANOUGZGEPO-MRVPVSSYSA-N 1 0 127.231 1.929 50 0 endogenous,in-man ADAARO CCC[C@@H]1C[C@H]1[NH3+] 52126494 167055430 /nfs/dbraw/zinc/05/54/30/167055430.db2.gz XNPZNZSQFBQSTE-PHDIDXHHSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO CCC[C@@H]1[NH2+]CCS1 5839894 167055963 /nfs/dbraw/zinc/05/59/63/167055963.db2.gz UDJJSTNTIKWCCW-ZCFIWIBFSA-N 1 0 131.244 1.449 50 0 endogenous,in-man ADAARO CCC[C@@H]1[NH2+]CCn2cccc21 2495726 167056409 /nfs/dbraw/zinc/05/64/09/167056409.db2.gz AHCSSPLIMUPHPF-VIFPVBQESA-N 1 0 164.252 1.933 50 0 in-vitro ADAARO CCC[C@@H]1[NH2+]CCCS1 3640488 167056638 /nfs/dbraw/zinc/05/66/38/167056638.db2.gz KIUKNTRFKHZXRI-SSDOTTSWSA-N 1 0 145.271 1.839 50 0 ADAARO CCC[C@@H]1C[C@H]1C[NH3+] 54588213 167057315 /nfs/dbraw/zinc/05/73/15/167057315.db2.gz ZRUKDUJWHBADHY-RQJHMYQMSA-N 1 0 113.204 1.381 50 0 ADAARO CCC[C@@](O)(C[NH3+])c1ccccc1 55032594 167057565 /nfs/dbraw/zinc/05/75/65/167057565.db2.gz CUQIXSHMVVABAI-LLVKDONJSA-N 1 0 179.263 1.633 50 0 ADAARO CCC[C@@]1(C(=O)OCC)CCC[NH2+]1 98095742 167058940 /nfs/dbraw/zinc/05/89/40/167058940.db2.gz JEQJDYPGCNMRRC-JTQLQIEISA-N 1 0 185.267 1.472 50 0 in-vitro ADAARO CCC[C@@]1(C(=O)OC)CCC[NH2+]1 204355017 167059142 /nfs/dbraw/zinc/05/91/42/167059142.db2.gz GNAGNRYPVFRSKN-VIFPVBQESA-N 1 0 171.240 1.082 50 0 ADAARO CCC[C@@]1(C(=O)OC)CCC[NH2+]C1 62870782 167059171 /nfs/dbraw/zinc/05/91/71/167059171.db2.gz HUUTZPCUFMIMEB-SNVBAGLBSA-N 1 0 185.267 1.329 50 0 ADAARO CCC[C@@]1(C(=O)OCC)CCC[NH2+]C1 62870806 167059980 /nfs/dbraw/zinc/05/99/80/167059980.db2.gz BEPDJKVOEZQFMX-LLVKDONJSA-N 1 0 199.294 1.719 50 0 ADAARO CCC[C@@]1(CO)CCC[N@@H+]1C 97053931 167061335 /nfs/dbraw/zinc/06/13/35/167061335.db2.gz GFNXKVOELDHLID-VIFPVBQESA-N 1 0 157.257 1.243 50 0 in-vitro ADAARO CCC[C@@]1(CO)CCC[NH2+]C1 15635648 167061355 /nfs/dbraw/zinc/06/13/55/167061355.db2.gz KKLDBBBTGCAHEC-SECBINFHSA-N 1 0 157.257 1.149 50 0 in-vitro ADAARO CCC[C@H](C)C(N)=[NH2+] 95942547 167061708 /nfs/dbraw/zinc/06/17/08/167061708.db2.gz GKRFOKIVXNRQAF-YFKPBYRVSA-N 1 0 114.192 1.359 50 0 in-vitro ADAARO CCC[C@@]1(C)[NH2+]CCS1 34144164 167061903 /nfs/dbraw/zinc/06/19/03/167061903.db2.gz UXWRFNZXJOUMPQ-ZETCQYMHSA-N 1 0 145.271 1.839 50 0 ADAARO CCC[C@@]1(COC)CCC[NH2+]1 86526469 167062493 /nfs/dbraw/zinc/06/24/93/167062493.db2.gz WTLTYIPJAZQNQY-VIFPVBQESA-N 1 0 157.257 1.555 50 0 in-vitro ADAARO CCC[C@H](C)C[NH2+]C 20083832 167064006 /nfs/dbraw/zinc/06/40/06/167064006.db2.gz WPXMLBDVHIFOPP-ZETCQYMHSA-N 1 0 115.220 1.642 50 0 ADAARO CCC[C@H](C)C(=O)N1CCC[C@H]([NH3+])C1 41028116 167064193 /nfs/dbraw/zinc/06/41/93/167064193.db2.gz YHYYGUIQAPXHBW-UWVGGRQHSA-N 1 0 198.310 1.372 50 0 ADAARO CCC[C@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 41028118 167064310 /nfs/dbraw/zinc/06/43/10/167064310.db2.gz YHYYGUIQAPXHBW-VHSXEESVSA-N 1 0 198.310 1.372 50 0 ADAARO CCC[C@H](C)CC[NH3+] 5841115 167065276 /nfs/dbraw/zinc/06/52/76/167065276.db2.gz AWBMXILPKKHYSO-ZETCQYMHSA-N 1 0 115.220 1.771 50 0 ADAARO CCC[C@H](C)[NH+]1CCNCC1 22465942 167066644 /nfs/dbraw/zinc/06/66/44/167066644.db2.gz QTPGFCVQPIPHFA-VIFPVBQESA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO CCC[C@H](C)[NH3+] 1850451 167066930 /nfs/dbraw/zinc/06/69/30/167066930.db2.gz IGEIPFLJVCPEKU-YFKPBYRVSA-N 1 0 87.166 1.134 50 0 in-vitro ADAARO CCC[C@H](C)[NH2+]C 2564061 167069074 /nfs/dbraw/zinc/06/90/74/167069074.db2.gz IPBXLJFBVNLKFE-LURJTMIESA-N 1 0 101.193 1.394 50 0 in-vitro ADAARO CCC[C@H](C)[NH2+]CC 19091326 167070106 /nfs/dbraw/zinc/07/01/06/167070106.db2.gz MVAOLFCQWQECDS-ZETCQYMHSA-N 1 0 115.220 1.785 50 0 in-vitro ADAARO CCC[C@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 19412341 167071569 /nfs/dbraw/zinc/07/15/69/167071569.db2.gz YLIYWLXRVYTZOL-VHSXEESVSA-N 1 0 198.310 1.291 50 0 in-vitro ADAARO CCC[C@H](C)NC(=O)[C@H]1CCC[NH2+]C1 19412345 167071735 /nfs/dbraw/zinc/07/17/35/167071735.db2.gz YLIYWLXRVYTZOL-UWVGGRQHSA-N 1 0 198.310 1.291 50 0 in-vitro ADAARO CCC[C@H](C)[C@H](C)[NH3+] 5841500 167073307 /nfs/dbraw/zinc/07/33/07/167073307.db2.gz WVYNIWHEHBSTSB-BQBZGAKWSA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO CCC[C@H](C)[C@@H](C)[NH3+] 5841423 167074054 /nfs/dbraw/zinc/07/40/54/167074054.db2.gz WVYNIWHEHBSTSB-NKWVEPMBSA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO CCC[C@H]([NH3+])C(=O)Nc1nccs1 36872564 167077581 /nfs/dbraw/zinc/07/75/81/167077581.db2.gz RTGNRQVQPOLBCS-LURJTMIESA-N 1 0 199.279 1.209 50 0 in-vitro ADAARO CCC[C@H]([NH3+])C1CCC1 78677667 167077874 /nfs/dbraw/zinc/07/78/74/167077874.db2.gz SZDUAKJSWLZNOD-QMMMGPOBSA-N 1 0 127.231 1.914 50 0 ADAARO CCC[C@H]([NH3+])CC(=O)OCC 19089765 167077995 /nfs/dbraw/zinc/07/79/95/167077995.db2.gz FJAZKEFQZOZJJO-ZETCQYMHSA-N 1 0 159.229 1.067 50 0 in-vitro ADAARO CCC[C@H]([NH3+])CC 5648726 167078856 /nfs/dbraw/zinc/07/88/56/167078856.db2.gz HQLZFBUAULNEGP-ZCFIWIBFSA-N 1 0 101.193 1.524 50 0 in-vitro ADAARO CCC[C@H]([NH3+])C(=O)N1CCCCCC1 36872612 167079257 /nfs/dbraw/zinc/07/92/57/167079257.db2.gz NNRYMYVIDWKDMA-JTQLQIEISA-N 1 0 198.310 1.516 50 0 ADAARO CCC[C@H]([NH3+])C(=O)c1ccccc1 1684350 167080306 /nfs/dbraw/zinc/08/03/06/167080306.db2.gz AHHLVTFOIFDGKS-JTQLQIEISA-N 1 0 177.247 1.997 50 0 ADAARO CCC[C@H]([NH3+])c1ccncc1 37466426 167081125 /nfs/dbraw/zinc/08/11/25/167081125.db2.gz UVQRWTNCVQBRPK-VIFPVBQESA-N 1 0 150.225 1.882 50 0 ADAARO CCC[C@H]([NH3+])c1cccnc1 37466362 167081164 /nfs/dbraw/zinc/08/11/64/167081164.db2.gz DFVSEQGCMQSLKO-VIFPVBQESA-N 1 0 150.225 1.882 50 0 ADAARO CCC[C@H]([NH3+])[C@@H](O)c1ccccc1 1707603 167081546 /nfs/dbraw/zinc/08/15/46/167081546.db2.gz JBCQBAFOLVIDBV-QWRGUYRKSA-N 1 0 179.263 1.847 50 0 in-vitro ADAARO CCC[C@H]([NH3+])c1nnc2ccccn12 36830780 167082119 /nfs/dbraw/zinc/08/21/19/167082119.db2.gz RBOYUUKZWTVYLX-QMMMGPOBSA-N 1 0 190.250 1.529 50 0 in-vitro ADAARO CCC[C@H]([NH3+])[C@H](O)c1ccccc1 1707601 167082819 /nfs/dbraw/zinc/08/28/19/167082819.db2.gz JBCQBAFOLVIDBV-WDEREUQCSA-N 1 0 179.263 1.847 50 0 in-vitro ADAARO CCC[C@H]([NH3+])c1nccn1C 19092178 167082902 /nfs/dbraw/zinc/08/29/02/167082902.db2.gz FBTHRJBKKWLZTR-ZETCQYMHSA-N 1 0 153.229 1.220 50 0 ADAARO CCC[C@H]([NH3+])c1ccccn1 37466273 167082911 /nfs/dbraw/zinc/08/29/11/167082911.db2.gz BFKHSLAQEYFTPC-QMMMGPOBSA-N 1 0 150.225 1.882 50 0 in-vitro ADAARO CCC[C@H]1CCC[NH2+]C1 5842921 167087606 /nfs/dbraw/zinc/08/76/06/167087606.db2.gz CRZUKKNUMNKBFJ-QMMMGPOBSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO CCC[C@H]1CC(=O)CC[NH2+]1 75528222 167087886 /nfs/dbraw/zinc/08/78/86/167087886.db2.gz XXIZHKUVYWRPMH-ZETCQYMHSA-N 1 0 141.214 1.108 50 0 in-vitro ADAARO CCC[C@H]1CCCC[NH2+]1 2031579 167088142 /nfs/dbraw/zinc/08/81/42/167088142.db2.gz NDNUANOUGZGEPO-QMMMGPOBSA-N 1 0 127.231 1.929 50 0 endogenous,in-man ADAARO CCC[C@H]1CCC[NH2+]1 4234748 167088636 /nfs/dbraw/zinc/08/86/36/167088636.db2.gz ICALDHCMXFGLBN-ZETCQYMHSA-N 1 0 113.204 1.539 50 0 in-vitro ADAARO CCC[C@H]1CC[NH2+]C1 19090925 167088643 /nfs/dbraw/zinc/08/86/43/167088643.db2.gz RKFKEXKTXWGBCN-ZETCQYMHSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO CCC[C@H]1CC[C@H]([NH3+])C1 70636473 167088847 /nfs/dbraw/zinc/08/88/47/167088847.db2.gz BFYOROQYERCOPW-YUMQZZPRSA-N 1 0 127.231 1.914 50 0 ADAARO CCC[C@H]1CC[NH2+]1 44257575 167089253 /nfs/dbraw/zinc/08/92/53/167089253.db2.gz OGZXOVGUHFDHOO-LURJTMIESA-N 1 0 99.177 1.148 50 0 ADAARO CCC[C@H]1C=CC[NH2+]1 19093041 167089257 /nfs/dbraw/zinc/08/92/57/167089257.db2.gz AOTYBMVEFSQQPM-ZETCQYMHSA-N 1 0 111.188 1.315 50 0 in-vitro ADAARO CCC[C@H]1CC[C@@H]([NH3+])C1 70636478 167089298 /nfs/dbraw/zinc/08/92/98/167089298.db2.gz BFYOROQYERCOPW-JGVFFNPUSA-N 1 0 127.231 1.914 50 0 ADAARO CCC[C@H]1[NH2+]CCS1 5843219 167090063 /nfs/dbraw/zinc/09/00/63/167090063.db2.gz UDJJSTNTIKWCCW-LURJTMIESA-N 1 0 131.244 1.449 50 0 endogenous,in-man ADAARO CCC[C@H]1[NH2+]CCn2cccc21 2495727 167090175 /nfs/dbraw/zinc/09/01/75/167090175.db2.gz AHCSSPLIMUPHPF-SECBINFHSA-N 1 0 164.252 1.933 50 0 in-vitro ADAARO CCC[C@H]1C[N@@H+]2CCC[C@H]2CN1 66346804 167090871 /nfs/dbraw/zinc/09/08/71/167090871.db2.gz AEMSRNHLEUPYQI-UWVGGRQHSA-N 1 0 168.284 1.223 50 0 ADAARO CCC[C@H]1[NH2+]CCCS1 3640486 167091488 /nfs/dbraw/zinc/09/14/88/167091488.db2.gz KIUKNTRFKHZXRI-ZETCQYMHSA-N 1 0 145.271 1.839 50 0 ADAARO CCC[C@](O)(C[NH3+])c1ccccc1 55032596 167092712 /nfs/dbraw/zinc/09/27/12/167092712.db2.gz CUQIXSHMVVABAI-NSHDSACASA-N 1 0 179.263 1.633 50 0 ADAARO CCC[C@]1(CO)CCC[NH2+]C1 15635650 167096011 /nfs/dbraw/zinc/09/60/11/167096011.db2.gz KKLDBBBTGCAHEC-VIFPVBQESA-N 1 0 157.257 1.149 50 0 in-vitro ADAARO CCC[C@]1(C(=O)OCC)CCC[NH2+]1 98095741 167096087 /nfs/dbraw/zinc/09/60/87/167096087.db2.gz JEQJDYPGCNMRRC-SNVBAGLBSA-N 1 0 185.267 1.472 50 0 in-vitro ADAARO CCC[C@]1(CO)CCC[N@@H+]1C 97053925 167096134 /nfs/dbraw/zinc/09/61/34/167096134.db2.gz GFNXKVOELDHLID-SECBINFHSA-N 1 0 157.257 1.243 50 0 in-vitro ADAARO CCC[C@]1(C)[NH2+]CCS1 34144163 167096341 /nfs/dbraw/zinc/09/63/41/167096341.db2.gz UXWRFNZXJOUMPQ-SSDOTTSWSA-N 1 0 145.271 1.839 50 0 ADAARO CCC[C@]1(C(=O)OC)CCC[NH2+]C1 62870781 167096710 /nfs/dbraw/zinc/09/67/10/167096710.db2.gz HUUTZPCUFMIMEB-JTQLQIEISA-N 1 0 185.267 1.329 50 0 ADAARO CCC[C@]1(COC)CCC[NH2+]1 86526468 167096780 /nfs/dbraw/zinc/09/67/80/167096780.db2.gz WTLTYIPJAZQNQY-SECBINFHSA-N 1 0 157.257 1.555 50 0 in-vitro ADAARO CCC[n+]1ccccc1 2517103 167096906 /nfs/dbraw/zinc/09/69/06/167096906.db2.gz CRTKBIFIDSNKCN-UHFFFAOYSA-N 1 0 122.191 1.384 50 0 in-vitro ADAARO CCC[C@]1(C(=O)OCC)CCC[NH2+]C1 62870805 167097181 /nfs/dbraw/zinc/09/71/81/167097181.db2.gz BEPDJKVOEZQFMX-NSHDSACASA-N 1 0 199.294 1.719 50 0 ADAARO CCC[C@]1(C(=O)OC)CCC[NH2+]1 216625430 167097219 /nfs/dbraw/zinc/09/72/19/167097219.db2.gz GNAGNRYPVFRSKN-SECBINFHSA-N 1 0 171.240 1.082 50 0 ADAARO CCC[n+]1ccc(C)cc1 2156580 167097888 /nfs/dbraw/zinc/09/78/88/167097888.db2.gz CBCJWJVPFPANIA-UHFFFAOYSA-N 1 0 136.218 1.693 50 0 ADAARO CCCc1cc(C[NH2+]C)on1 35655517 167098326 /nfs/dbraw/zinc/09/83/26/167098326.db2.gz BRDYAYJGPIJMTK-UHFFFAOYSA-N 1 0 154.213 1.347 50 0 ADAARO CCCc1cc(C[NH3+])ccn1 238276181 167099300 /nfs/dbraw/zinc/09/93/00/167099300.db2.gz RWJVMEOAOCXGDA-UHFFFAOYSA-N 1 0 150.225 1.493 50 0 ADAARO CCCc1cc(C[NH3+])on1 4384416 167100795 /nfs/dbraw/zinc/10/07/95/167100795.db2.gz TZCRWPITAFJCIG-UHFFFAOYSA-N 1 0 140.186 1.086 50 0 in-vitro ADAARO CCCc1cc(C[NH2+]C)[nH]n1 2559677 167101029 /nfs/dbraw/zinc/10/10/29/167101029.db2.gz QHTGTJHONGTEDT-UHFFFAOYSA-N 1 0 153.229 1.082 50 0 in-vitro ADAARO CCCc1cc(C)[nH]c(=O)c1C[NH3+] 89157601 167101111 /nfs/dbraw/zinc/10/11/11/167101111.db2.gz JBKWKHWTUAUEFI-UHFFFAOYSA-N 1 0 180.251 1.095 50 0 ADAARO CCCc1ccc(OC2C[NH2+]C2)cc1 42770021 167102510 /nfs/dbraw/zinc/10/25/10/167102510.db2.gz AEZDUMZXLCSDTP-UHFFFAOYSA-N 1 0 191.274 1.990 50 0 ADAARO CCCc1ccc(OCC[NH3+])cc1 4227446 167104314 /nfs/dbraw/zinc/10/43/14/167104314.db2.gz OGVHYWKBTXTLJW-UHFFFAOYSA-N 1 0 179.263 1.977 50 0 in-vitro ADAARO CCCc1ccccc1C(N)=[NH2+] 2540802 167105979 /nfs/dbraw/zinc/10/59/79/167105979.db2.gz QZCNRIJJDXOWKI-UHFFFAOYSA-N 1 0 162.236 1.923 50 0 ADAARO CCCc1ccccc1OC1C[NH2+]C1 42769914 167106051 /nfs/dbraw/zinc/10/60/51/167106051.db2.gz CKWYKENQLSGBIN-UHFFFAOYSA-N 1 0 191.274 1.990 50 0 ADAARO CCCc1cc[nH+]c(N)c1 2582067 167107129 /nfs/dbraw/zinc/10/71/29/167107129.db2.gz CGGOAYCJQTWSOI-UHFFFAOYSA-N 1 0 136.198 1.616 50 0 in-vitro ADAARO CCCc1ccccc1OCC[NH3+] 58840573 167107546 /nfs/dbraw/zinc/10/75/46/167107546.db2.gz OGDQGLFKRBAJNU-UHFFFAOYSA-N 1 0 179.263 1.977 50 0 ADAARO CCCc1nc(C)c(C[NH3+])s1 19092645 167109266 /nfs/dbraw/zinc/10/92/66/167109266.db2.gz NIDGNDCNXFGEDU-UHFFFAOYSA-N 1 0 170.281 1.863 50 0 in-vitro ADAARO CCCc1nc(C(C)(C)[NH3+])no1 36763301 167109975 /nfs/dbraw/zinc/10/99/75/167109975.db2.gz XCOKVKFVJAASPU-UHFFFAOYSA-N 1 0 169.228 1.216 50 0 in-vitro ADAARO CCCc1nc(C[NH3+])cs1 19092529 167109991 /nfs/dbraw/zinc/10/99/91/167109991.db2.gz ROUXKFOZFGKLNQ-UHFFFAOYSA-N 1 0 156.254 1.554 50 0 in-vitro ADAARO CCCc1nc(C)c(C[NH3+])o1 238225947 167110383 /nfs/dbraw/zinc/11/03/83/167110383.db2.gz PNFVSRQYGAFLCS-UHFFFAOYSA-N 1 0 154.213 1.394 50 0 in-vitro ADAARO CCCc1nc([C@@H]2CCC[NH2+]C2)no1 62256955 167112233 /nfs/dbraw/zinc/11/22/33/167112233.db2.gz MVBZPHXXWRQBLY-MRVPVSSYSA-N 1 0 195.266 1.489 50 0 ADAARO CCCc1nc([C@H]2CCC[NH2+]C2)no1 62256958 167112767 /nfs/dbraw/zinc/11/27/67/167112767.db2.gz MVBZPHXXWRQBLY-QMMMGPOBSA-N 1 0 195.266 1.489 50 0 ADAARO CCCc1nnsc1[C@H](C)[NH3+] 83592785 167114273 /nfs/dbraw/zinc/11/42/73/167114273.db2.gz MOUGZCGEIYYXDJ-YFKPBYRVSA-N 1 0 171.269 1.510 50 0 ADAARO CCCc1noc(C2CC[NH2+]CC2)n1 12359800 167114405 /nfs/dbraw/zinc/11/44/05/167114405.db2.gz LAZNJVSOGIPLGZ-UHFFFAOYSA-N 1 0 195.266 1.489 50 0 in-vitro ADAARO CCCc1nnsc1[C@@H](C)[NH3+] 83592782 167115097 /nfs/dbraw/zinc/11/50/97/167115097.db2.gz MOUGZCGEIYYXDJ-RXMQYKEDSA-N 1 0 171.269 1.510 50 0 ADAARO CCCc1noc([C@H]2CCC[NH2+]C2)n1 12359808 167115550 /nfs/dbraw/zinc/11/55/50/167115550.db2.gz KKMTUNLAPUDTAC-QMMMGPOBSA-N 1 0 195.266 1.489 50 0 in-vitro ADAARO CCCc1noc([C@H](C)N)n1 19089568 167115926 /nfs/dbraw/zinc/11/59/26/167115926.db2.gz IRTRBCHYHFQLNX-YFKPBYRVSA-N 1 0 155.201 1.042 50 0 ADAARO CCCc1noc([C@@H]2CCC[NH2+]C2)n1 12359807 167116853 /nfs/dbraw/zinc/11/68/53/167116853.db2.gz KKMTUNLAPUDTAC-MRVPVSSYSA-N 1 0 195.266 1.489 50 0 in-vitro ADAARO CCC[n+]1ccn(C)c1C 6757616 167117445 /nfs/dbraw/zinc/11/74/45/167117445.db2.gz MXLZUALXSYVAIV-UHFFFAOYSA-N 1 0 139.222 1.031 50 0 in-vitro ADAARO CCCn1cc([C@@H](C)[NH3+])cn1 20312814 167118127 /nfs/dbraw/zinc/11/81/27/167118127.db2.gz XGMSGYTVBJMBLW-SSDOTTSWSA-N 1 0 153.229 1.313 50 0 in-vitro ADAARO CCCn1ccc(=[NH2+])cc1 59392 167118294 /nfs/dbraw/zinc/11/82/94/167118294.db2.gz GTCDMBKNJFDSLO-UHFFFAOYSA-N 1 0 136.198 1.378 50 0 ADAARO CCCn1cc([C@H](C)[NH3+])cn1 2537959 167118840 /nfs/dbraw/zinc/11/88/40/167118840.db2.gz XGMSGYTVBJMBLW-ZETCQYMHSA-N 1 0 153.229 1.313 50 0 in-vitro ADAARO CCCn1cc(C[NH2+]C)cn1 2538038 167119127 /nfs/dbraw/zinc/11/91/27/167119127.db2.gz AZVVPDVXBARMEA-UHFFFAOYSA-N 1 0 153.229 1.013 50 0 ADAARO CCCn1cc(C[NH3+])c(C)n1 2538035 167119439 /nfs/dbraw/zinc/11/94/39/167119439.db2.gz YAVQVLJLLOUMIK-UHFFFAOYSA-N 1 0 153.229 1.060 50 0 in-vitro ADAARO CCCn1cnnc1C1CC[NH2+]CC1 54497958 167120195 /nfs/dbraw/zinc/12/01/95/167120195.db2.gz YRCCRQCOKZAJJF-UHFFFAOYSA-N 1 0 194.282 1.155 50 0 ADAARO CCCn1nc(C)cc1C[NH2+]C 6658184 167121140 /nfs/dbraw/zinc/12/11/40/167121140.db2.gz CZZZETWSDLXGKA-UHFFFAOYSA-N 1 0 167.256 1.321 50 0 in-vitro ADAARO CCCn1ccc(C[NH3+])c1 85582574 167121193 /nfs/dbraw/zinc/12/11/93/167121193.db2.gz ZNKPVILXADENLY-UHFFFAOYSA-N 1 0 138.214 1.357 50 0 in-vitro ADAARO CCCn1ccc(C[NH2+]C)n1 2538048 167121374 /nfs/dbraw/zinc/12/13/74/167121374.db2.gz LITWSGCCWNIWON-UHFFFAOYSA-N 1 0 153.229 1.013 50 0 ADAARO CCCn1nc(C)cc1C[NH2+]CC 9355848 167121597 /nfs/dbraw/zinc/12/15/97/167121597.db2.gz LDLZGVGODUGYCC-UHFFFAOYSA-N 1 0 181.283 1.711 50 0 ADAARO CCCn1cnnc1[C@@H]1CCC[NH2+]C1 54497979 167121793 /nfs/dbraw/zinc/12/17/93/167121793.db2.gz BHNRZCHHTZPVRX-SECBINFHSA-N 1 0 194.282 1.155 50 0 ADAARO CCCn1ccnc1CCC[NH2+]C 70639119 167122073 /nfs/dbraw/zinc/12/20/73/167122073.db2.gz UQWLOUQXOFECBG-UHFFFAOYSA-N 1 0 181.283 1.445 50 0 in-vitro ADAARO CCCn1nc(C)c(C[NH3+])c1C 2538037 167122087 /nfs/dbraw/zinc/12/20/87/167122087.db2.gz FBVYPJIXOJSHCX-UHFFFAOYSA-N 1 0 167.256 1.369 50 0 ADAARO CCCn1cnnc1[C@H]1CCC[NH2+]C1 54497980 167122730 /nfs/dbraw/zinc/12/27/30/167122730.db2.gz BHNRZCHHTZPVRX-VIFPVBQESA-N 1 0 194.282 1.155 50 0 ADAARO CCCn1nccc1C1CC[NH2+]CC1 69024213 167123202 /nfs/dbraw/zinc/12/32/02/167123202.db2.gz OMXVHPZWOPXKTR-UHFFFAOYSA-N 1 0 193.294 1.760 50 0 in-vitro ADAARO CCN(C(=O)CC[NH3+])C1CCCCC1 22177072 167125524 /nfs/dbraw/zinc/12/55/24/167125524.db2.gz DAHVHMNGTUUILT-UHFFFAOYSA-N 1 0 198.310 1.516 50 0 ADAARO CCCn1ncc(C[NH3+])c1C 2538036 167125763 /nfs/dbraw/zinc/12/57/63/167125763.db2.gz PEGJJRHMLRDRAK-UHFFFAOYSA-N 1 0 153.229 1.060 50 0 in-vitro ADAARO CCN(C(=O)C[NH3+])C1CCCCC1 35176903 167125921 /nfs/dbraw/zinc/12/59/21/167125921.db2.gz AILMNZFIAUCVRX-UHFFFAOYSA-N 1 0 184.283 1.126 50 0 ADAARO CCN(C(=O)C[NH2+]C)C1CCCCC1 19503535 167126998 /nfs/dbraw/zinc/12/69/98/167126998.db2.gz WSHXGHPXRIYBGY-UHFFFAOYSA-N 1 0 198.310 1.387 50 0 ADAARO CCN(C(=O)[C@@H](C)[NH3+])C1CCCCC1 35154307 167127073 /nfs/dbraw/zinc/12/70/73/167127073.db2.gz AZCHFNCTLXYAPO-SECBINFHSA-N 1 0 198.310 1.515 50 0 ADAARO CCN(C(=O)[C@H](C)[NH3+])C1CCCCC1 35154310 167128080 /nfs/dbraw/zinc/12/80/80/167128080.db2.gz AZCHFNCTLXYAPO-VIFPVBQESA-N 1 0 198.310 1.515 50 0 ADAARO CC[N@H+](C)C1(CN)CCCC1 32445544 167140065 /nfs/dbraw/zinc/14/00/65/167140065.db2.gz MQKVDGKMEDIBFO-UHFFFAOYSA-N 1 0 156.273 1.210 50 0 ADAARO CC[N@H+](C)C1(CN)CCCCC1 32445519 167140757 /nfs/dbraw/zinc/14/07/57/167140757.db2.gz IRJZFGMWHRHSRU-UHFFFAOYSA-N 1 0 170.300 1.600 50 0 in-vitro ADAARO CC[N@H+](C)C[C@H](O)c1ccc(N)cc1 14001345 167143911 /nfs/dbraw/zinc/14/39/11/167143911.db2.gz FJHBRYHBDNZMHX-NSHDSACASA-N 1 0 194.278 1.254 50 0 ADAARO CC[N@H+](C)C[C@@H](O)c1ccc(N)cc1 14001342 167146990 /nfs/dbraw/zinc/14/69/90/167146990.db2.gz FJHBRYHBDNZMHX-LLVKDONJSA-N 1 0 194.278 1.254 50 0 ADAARO CCN(C)c1ccc(C(N)=[NH2+])cc1 37078941 167149872 /nfs/dbraw/zinc/14/98/72/167149872.db2.gz AASPYQTZAUYOJL-UHFFFAOYSA-N 1 0 177.251 1.427 50 0 in-vitro ADAARO CCN(C)c1ccccc1C[NH3+] 37078070 167150759 /nfs/dbraw/zinc/15/07/59/167150759.db2.gz OHMNCGBUSGMIPO-UHFFFAOYSA-N 1 0 164.252 1.601 50 0 ADAARO CCN(CC(N)=[NH2+])c1ccc(F)cc1 50012033 167152955 /nfs/dbraw/zinc/15/29/55/167152955.db2.gz BHNUVJGMNINXFE-UHFFFAOYSA-N 1 0 195.241 1.588 50 0 ADAARO CC[N@H+](CC(=O)OC)C1CCCC1 35772895 167156901 /nfs/dbraw/zinc/15/69/01/167156901.db2.gz GDBTYWZSVXHNRB-UHFFFAOYSA-N 1 0 185.267 1.424 50 0 ADAARO CC[N@H+](CC(N)=O)C1CCCCC1 32023624 167156920 /nfs/dbraw/zinc/15/69/20/167156920.db2.gz NDUDGPSQRLHOPZ-UHFFFAOYSA-N 1 0 184.283 1.126 50 0 ADAARO CC[N@H+](CC(=O)OC)C1CCCCC1 20361086 167158855 /nfs/dbraw/zinc/15/88/55/167158855.db2.gz MCOAVCWVFNYHBG-UHFFFAOYSA-N 1 0 199.294 1.814 50 0 ADAARO CCN(CC)C(=O)C[N@H+](CC)C1CC1 89967633 167160844 /nfs/dbraw/zinc/16/08/44/167160844.db2.gz PXIBPVPFVQJFLK-UHFFFAOYSA-N 1 0 198.310 1.339 50 0 ADAARO CCN(CC)C(=O)C1([NH3+])CCCCC1 19442554 167161721 /nfs/dbraw/zinc/16/17/21/167161721.db2.gz LTIKAHOLVVSRIT-UHFFFAOYSA-N 1 0 198.310 1.516 50 0 in-vitro ADAARO CCN(CC)C(=[NH2+])N(CC)CC 4777931 167161843 /nfs/dbraw/zinc/16/18/43/167161843.db2.gz JNROUINNEHNBIZ-UHFFFAOYSA-N 1 0 171.288 1.605 50 0 ADAARO CC[NH+](CC)C(C)(C)CN 19795799 167163205 /nfs/dbraw/zinc/16/32/05/167163205.db2.gz OKQNWAJBDNOPAI-UHFFFAOYSA-N 1 0 144.262 1.066 50 0 ADAARO CC[NH+](CC)C1(CN)CCCCC1 32522385 167163279 /nfs/dbraw/zinc/16/32/79/167163279.db2.gz FNFZQQDMUXFKDE-UHFFFAOYSA-N 1 0 184.327 1.990 50 0 in-vitro ADAARO CC[NH+](CC)C1CCC(=O)CC1 34120906 167163442 /nfs/dbraw/zinc/16/34/42/167163442.db2.gz LIWZZXVRVDSDBT-UHFFFAOYSA-N 1 0 169.268 1.840 50 0 ADAARO CC[NH+](CC)C/C=C/CCOC 2171125 167163565 /nfs/dbraw/zinc/16/35/65/167163565.db2.gz GBJQVBXLTRYLAE-VOTSOKGWSA-N 1 0 171.284 1.921 50 0 ADAARO CC[NH+](CC)C1(C(N)=O)CCCCC1 12411586 167163748 /nfs/dbraw/zinc/16/37/48/167163748.db2.gz PNNVQZUPGMDTMK-UHFFFAOYSA-N 1 0 198.310 1.516 50 0 ADAARO CC[NH+](CC)C(C)(C)CO 1669839 167163885 /nfs/dbraw/zinc/16/38/85/167163885.db2.gz IJWQSGBLQWYBPS-UHFFFAOYSA-N 1 0 145.246 1.099 50 0 ADAARO CC[NH+](CC)CC 1242720 167164314 /nfs/dbraw/zinc/16/43/14/167164314.db2.gz ZMANZCXQSJIPKH-UHFFFAOYSA-N 1 0 101.193 1.348 50 0 endogenous,in-man ADAARO CCN(CC)C(C)=[NH2+] 103437657 167164458 /nfs/dbraw/zinc/16/44/58/167164458.db2.gz RXSIKRLQGANXCL-UHFFFAOYSA-N 1 0 114.192 1.325 50 0 in-vitro ADAARO CC[NH+](CC)C1CC[NH2+]CC1 2539008 167164769 /nfs/dbraw/zinc/16/47/69/167164769.db2.gz OUXRMEUJNPVXMM-UHFFFAOYSA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO CC[NH+](CC)CCCCCO 2507934 167165249 /nfs/dbraw/zinc/16/52/49/167165249.db2.gz RUQDFMATAGUGMU-UHFFFAOYSA-N 1 0 159.273 1.491 50 0 in-vitro ADAARO CC[NH+](CC)CCc1ccccn1 157959 167165374 /nfs/dbraw/zinc/16/53/74/167165374.db2.gz PMDWLPBLYZHLHW-UHFFFAOYSA-N 1 0 178.279 1.966 50 0 in-vitro ADAARO CC[NH+](CC)CCCCO 1733931 167165524 /nfs/dbraw/zinc/16/55/24/167165524.db2.gz KHYKXDSWXWVQTA-UHFFFAOYSA-N 1 0 145.246 1.101 50 0 in-vitro ADAARO CCN(CC)CC[NH2+]C1CCCC1 19919186 167165556 /nfs/dbraw/zinc/16/55/56/167165556.db2.gz BXRNTIDUSLVLPU-UHFFFAOYSA-N 1 0 184.327 1.860 50 0 ADAARO CC[NH+](CC)CCCC(C)=O 1693400 167165773 /nfs/dbraw/zinc/16/57/73/167165773.db2.gz GRGNJBKJCVOFEO-UHFFFAOYSA-N 1 0 157.257 1.697 50 0 in-vitro ADAARO CC[NH+](CC)CCC[C@@H](C)O 2140970 167166053 /nfs/dbraw/zinc/16/60/53/167166053.db2.gz OAQYRNDEOJQVBN-SECBINFHSA-N 1 0 159.273 1.489 50 0 ADAARO CCN(CC)CC[NH2+]C(C)C 95348467 167166177 /nfs/dbraw/zinc/16/61/77/167166177.db2.gz SRYCFYOMSLPFBO-UHFFFAOYSA-N 1 0 158.289 1.326 50 0 ADAARO CC[NH+](CC)CCC[C@H](C)O 1693401 167166215 /nfs/dbraw/zinc/16/62/15/167166215.db2.gz OAQYRNDEOJQVBN-VIFPVBQESA-N 1 0 159.273 1.489 50 0 ADAARO CC[NH+](CC)CCn1cccn1 38537764 167166216 /nfs/dbraw/zinc/16/62/16/167166216.db2.gz JPJBURDLVZPQQP-UHFFFAOYSA-N 1 0 167.256 1.225 50 0 in-vitro ADAARO CCN(CC)CC[NH+](CC)CC 19367502 167166402 /nfs/dbraw/zinc/16/64/02/167166402.db2.gz DIHKMUNUGQVFES-UHFFFAOYSA-N 1 0 172.316 1.670 50 0 in-vitro ADAARO CCN(CC)C[C@@H]([NH2+]C)C1CC1 68893470 167166640 /nfs/dbraw/zinc/16/66/40/167166640.db2.gz LGPVXGDCCDBKDG-SNVBAGLBSA-N 1 0 170.300 1.326 50 0 ADAARO CCN(CC)CC[NH2+]CC(C)C 95188436 167166701 /nfs/dbraw/zinc/16/67/01/167166701.db2.gz YLJRIMQQJHWOEO-UHFFFAOYSA-N 1 0 172.316 1.574 50 0 in-vitro ADAARO CC[NH+](CC)C[C@@H](C)C(=O)OC 33506149 167166734 /nfs/dbraw/zinc/16/67/34/167166734.db2.gz LIERAMMEIVRHCW-MRVPVSSYSA-N 1 0 173.256 1.137 50 0 ADAARO CC[NH+](CC)CCNc1ncccn1 2490101 167166878 /nfs/dbraw/zinc/16/68/78/167166878.db2.gz FLXDESAQDRYQKB-UHFFFAOYSA-N 1 0 194.282 1.230 50 0 ADAARO CC[NH+](CC)CCc1cnccn1 32156565 167167161 /nfs/dbraw/zinc/16/71/61/167167161.db2.gz AZMKHGHSZCYFDN-UHFFFAOYSA-N 1 0 179.267 1.361 50 0 ADAARO CC[NH+](CC)CCNNC1CCCC1 71773101 167167294 /nfs/dbraw/zinc/16/72/94/167167294.db2.gz MYFRIEVHGZYNIQ-UHFFFAOYSA-N 1 0 199.342 1.365 50 0 ADAARO CC[NH+](CC)CCc1ccncc1 163340 167167436 /nfs/dbraw/zinc/16/74/36/167167436.db2.gz KHPJCEUYRXYZBA-UHFFFAOYSA-N 1 0 178.279 1.966 50 0 in-vitro ADAARO CCN(CC)C[NH+](CC)CC 19324731 167167690 /nfs/dbraw/zinc/16/76/90/167167690.db2.gz UNEXJVCWJSHFNN-UHFFFAOYSA-N 1 0 158.289 1.628 50 0 ADAARO CC[NH+](CC)C[C@H]1CCCC1=O 2386384 167168502 /nfs/dbraw/zinc/16/85/02/167168502.db2.gz XRYVGQOKZGJAGS-SECBINFHSA-N 1 0 169.268 1.697 50 0 in-vitro ADAARO CCN(CC)C[C@H]1CCC[NH2+]1 32445504 167168768 /nfs/dbraw/zinc/16/87/68/167168768.db2.gz SWMHMAUXZINLIQ-SECBINFHSA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO CCN(CC)Cc1csc(C[NH3+])n1 32009817 167169523 /nfs/dbraw/zinc/16/95/23/167169523.db2.gz XPVCMQHQCIJLMF-UHFFFAOYSA-N 1 0 199.323 1.444 50 0 ADAARO CC[NH+](CC)Cc1ccccn1 187880 167170137 /nfs/dbraw/zinc/17/01/37/167170137.db2.gz RLXNMHYUCLAIFM-UHFFFAOYSA-N 1 0 164.252 1.923 50 0 ADAARO CC[NH+](CC)C[C@H](C)C(=O)OC 33506150 167170209 /nfs/dbraw/zinc/17/02/09/167170209.db2.gz LIERAMMEIVRHCW-QMMMGPOBSA-N 1 0 173.256 1.137 50 0 ADAARO CC[NH+](CC)C[C@@H]1CCCC1=O 15441867 167170613 /nfs/dbraw/zinc/17/06/13/167170613.db2.gz XRYVGQOKZGJAGS-VIFPVBQESA-N 1 0 169.268 1.697 50 0 in-vitro ADAARO CC[NH+](CC)Cc1ncccc1O 393628 167170698 /nfs/dbraw/zinc/17/06/98/167170698.db2.gz HYVKRYYPFVVIMN-UHFFFAOYSA-N 1 0 180.251 1.629 50 0 in-vitro ADAARO CCN(CC)C[C@@H]1CCCC[NH2+]1 19369223 167171039 /nfs/dbraw/zinc/17/10/39/167171039.db2.gz WTIYGHQFUHZRDA-JTQLQIEISA-N 1 0 170.300 1.470 50 0 in-vitro ADAARO CCn1nccc1C[NH+](CC)CC 95453793 167171074 /nfs/dbraw/zinc/17/10/74/167171074.db2.gz VGFCLSLKFMKXBZ-UHFFFAOYSA-N 1 0 181.283 1.745 50 0 ADAARO CCN(CC)C[C@H]([NH2+]C)C1CC1 68893468 167171203 /nfs/dbraw/zinc/17/12/03/167171203.db2.gz LGPVXGDCCDBKDG-JTQLQIEISA-N 1 0 170.300 1.326 50 0 ADAARO CCN(CC)C[C@@H]1CCC[NH2+]1 32445503 167171327 /nfs/dbraw/zinc/17/13/27/167171327.db2.gz SWMHMAUXZINLIQ-VIFPVBQESA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO CCN(CC)C[C@H]1CCCC[NH2+]1 19366530 167171482 /nfs/dbraw/zinc/17/14/82/167171482.db2.gz WTIYGHQFUHZRDA-SNVBAGLBSA-N 1 0 170.300 1.470 50 0 in-vitro ADAARO CCN(CC)[C@H](C[NH3+])c1ccco1 19735624 167172221 /nfs/dbraw/zinc/17/22/21/167172221.db2.gz XIBTZZUXZNNSTP-SECBINFHSA-N 1 0 182.267 1.621 50 0 in-vitro ADAARO CC[NH+](CC)[C@H](CN)CC(C)C 22921616 167172262 /nfs/dbraw/zinc/17/22/62/167172262.db2.gz VFIZLVLYYTWDDN-JTQLQIEISA-N 1 0 172.316 1.702 50 0 in-vitro ADAARO CC[NH+](CC)[C@H]1CCCC[C@@H]1N 22028998 167172319 /nfs/dbraw/zinc/17/23/19/167172319.db2.gz VTVCXLUDVDCEBU-UWVGGRQHSA-N 1 0 170.300 1.598 50 0 ADAARO CCN(CC)[C@H]1CCC[NH2+]C1 87876308 167172702 /nfs/dbraw/zinc/17/27/02/167172702.db2.gz AJOACODGTFPROW-VIFPVBQESA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO CCN(CC)c1ccc(C[NH3+])cn1 21960176 167172759 /nfs/dbraw/zinc/17/27/59/167172759.db2.gz OAYCTPVSIFJJOX-UHFFFAOYSA-N 1 0 179.267 1.387 50 0 in-vitro ADAARO CCN(CC)[C@@H]1CCC[NH2+]C1 87876307 167173656 /nfs/dbraw/zinc/17/36/56/167173656.db2.gz AJOACODGTFPROW-SECBINFHSA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO CC[NH+](CC)[C@@H]1CCCC[C@@H]1N 19391355 167173935 /nfs/dbraw/zinc/17/39/35/167173935.db2.gz VTVCXLUDVDCEBU-VHSXEESVSA-N 1 0 170.300 1.598 50 0 ADAARO CCN(CC)c1cc(C[NH3+])ccn1 15861538 167174122 /nfs/dbraw/zinc/17/41/22/167174122.db2.gz LAEYAFFISZWGHP-UHFFFAOYSA-N 1 0 179.267 1.387 50 0 ADAARO CCN(CC)c1cc(N)cc[nH+]1 49804835 167174157 /nfs/dbraw/zinc/17/41/57/167174157.db2.gz KOBJQJCFHUPTNP-UHFFFAOYSA-N 1 0 165.240 1.510 50 0 ADAARO CC[NH+](CC)[C@@H]1CCCC[C@H]1N 19391359 167174166 /nfs/dbraw/zinc/17/41/66/167174166.db2.gz VTVCXLUDVDCEBU-NXEZZACHSA-N 1 0 170.300 1.598 50 0 ADAARO CC[NH+](CC)[C@H](CN)C(C)C 20281212 167174254 /nfs/dbraw/zinc/17/42/54/167174254.db2.gz JLQAGGUEFVKYDD-SECBINFHSA-N 1 0 158.289 1.312 50 0 ADAARO CC[NH+](CC)[C@H]1CCCC[C@H]1N 19391362 167174400 /nfs/dbraw/zinc/17/44/00/167174400.db2.gz VTVCXLUDVDCEBU-ZJUUUORDSA-N 1 0 170.300 1.598 50 0 ADAARO CC[NH+](CC)[C@H]1CCCCC1=O 37332236 167174976 /nfs/dbraw/zinc/17/49/76/167174976.db2.gz UNWHEYKBHKVKGQ-VIFPVBQESA-N 1 0 169.268 1.840 50 0 ADAARO CCN(CC)c1ccccc1C[NH3+] 20075526 167176602 /nfs/dbraw/zinc/17/66/02/167176602.db2.gz XCALVTLLSKYQMH-UHFFFAOYSA-N 1 0 178.279 1.992 50 0 ADAARO CCN(CC)c1ncccc1C[NH3+] 20608637 167177613 /nfs/dbraw/zinc/17/76/13/167177613.db2.gz KWFAOZBFQTYAOE-UHFFFAOYSA-N 1 0 179.267 1.387 50 0 ADAARO CCN(CCC[NH3+])c1ccccc1 2556274 167178308 /nfs/dbraw/zinc/17/83/08/167178308.db2.gz GHGKUGQRRXYXEJ-UHFFFAOYSA-N 1 0 178.279 1.862 50 0 ADAARO CCN(CC[NH3+])c1ccccc1C 19271409 167182432 /nfs/dbraw/zinc/18/24/32/167182432.db2.gz HLZWKCVSDNBLDY-UHFFFAOYSA-N 1 0 178.279 1.780 50 0 in-vitro ADAARO CC[N@H+](CCN)C1CCCCC1 22173884 167183076 /nfs/dbraw/zinc/18/30/76/167183076.db2.gz RQXOCIYELPKFEP-UHFFFAOYSA-N 1 0 170.300 1.600 50 0 ADAARO CCN(CC[NH+](C)C)Cc1ccoc1 22455580 167183532 /nfs/dbraw/zinc/18/35/32/167183532.db2.gz WCTLKBNCSNXYQK-UHFFFAOYSA-N 1 0 196.294 1.663 50 0 ADAARO CCN(CC[NH3+])c1cccc(C)c1 1761733 167183606 /nfs/dbraw/zinc/18/36/06/167183606.db2.gz FTMVEUXYYDLYFH-UHFFFAOYSA-N 1 0 178.279 1.780 50 0 ADAARO CCN(CC[NH3+])CCC(F)(F)F 70911857 167184163 /nfs/dbraw/zinc/18/41/63/167184163.db2.gz VLHUALPRSQCPKB-UHFFFAOYSA-N 1 0 184.205 1.219 50 0 in-vitro ADAARO CCN(CC[NH2+]C)C1CCCCC1 19737141 167184189 /nfs/dbraw/zinc/18/41/89/167184189.db2.gz GOAQRMARLNJUPO-UHFFFAOYSA-N 1 0 184.327 1.860 50 0 ADAARO CCN(CC[NH3+])Cc1ccccc1 39185304 167184460 /nfs/dbraw/zinc/18/44/60/167184460.db2.gz CMMJQXIVCKIUMN-UHFFFAOYSA-N 1 0 178.279 1.467 50 0 ADAARO CCN(CC[NH3+])C(=O)OC(C)(C)C 2599096 167184719 /nfs/dbraw/zinc/18/47/19/167184719.db2.gz GCORMRJHUSHORI-UHFFFAOYSA-N 1 0 188.271 1.202 50 0 in-vitro ADAARO CCN(CC[NH3+])c1ccccc1 11805163 167186128 /nfs/dbraw/zinc/18/61/28/167186128.db2.gz NWQPERNHNMYVPS-UHFFFAOYSA-N 1 0 164.252 1.472 50 0 in-vitro ADAARO CCN(CCO)c1ccc([N+]#N)cc1 4558801 167187753 /nfs/dbraw/zinc/18/77/53/167187753.db2.gz NMYGDXOIEKJCJA-UHFFFAOYSA-N 1 0 192.242 1.990 50 0 ADAARO CC[N@H+](CCO)Cc1ccc(C)o1 9720785 167189277 /nfs/dbraw/zinc/18/92/77/167189277.db2.gz QSLXMRZEOHIGBE-UHFFFAOYSA-N 1 0 183.251 1.402 50 0 ADAARO CC[N@@H+]1CCC(=O)[C@@H](C)[C@@H]1C 4343747 167197864 /nfs/dbraw/zinc/19/78/64/167197864.db2.gz RRUBGQWCJKNSGN-YUMQZZPRSA-N 1 0 155.241 1.306 50 0 ADAARO CC[N@@H+]1CCC(=O)[C@H](C)[C@H]1C 239403284 167198235 /nfs/dbraw/zinc/19/82/35/167198235.db2.gz RRUBGQWCJKNSGN-HTQZYQBOSA-N 1 0 155.241 1.306 50 0 ADAARO CC[N@@H+]1CCC(=O)C[C@H]1C 49708955 167198270 /nfs/dbraw/zinc/19/82/70/167198270.db2.gz XTKSUNDTBJILLT-SSDOTTSWSA-N 1 0 141.214 1.060 50 0 in-vitro ADAARO CCN1C2=[NH+]CCN2c2ccccc21 1305851 167199025 /nfs/dbraw/zinc/19/90/25/167199025.db2.gz GBBZCKXIAAPJEQ-UHFFFAOYSA-N 1 0 187.246 1.703 50 0 ADAARO CC[N@@H+]1CCC(=O)[C@@H](C)[C@H]1C 239403285 167199146 /nfs/dbraw/zinc/19/91/46/167199146.db2.gz RRUBGQWCJKNSGN-JGVFFNPUSA-N 1 0 155.241 1.306 50 0 ADAARO CC[NH+]1CCC(C(C)=O)CC1 37208358 167199499 /nfs/dbraw/zinc/19/94/99/167199499.db2.gz IPSQVLAPDZRYNP-UHFFFAOYSA-N 1 0 155.241 1.307 50 0 ADAARO CC[N@@H+]1CCC(=O)C[C@@H]1C 49708954 167199638 /nfs/dbraw/zinc/19/96/38/167199638.db2.gz XTKSUNDTBJILLT-ZETCQYMHSA-N 1 0 141.214 1.060 50 0 in-vitro ADAARO CC[N@@H+]1CCC(=O)[C@H](C)[C@@H]1C 1296039 167199749 /nfs/dbraw/zinc/19/97/49/167199749.db2.gz RRUBGQWCJKNSGN-SFYZADRCSA-N 1 0 155.241 1.306 50 0 ADAARO CC[NH+]1CCC(C)CC1 2171744 167199833 /nfs/dbraw/zinc/19/98/33/167199833.db2.gz JUHZIHYGDUXTFJ-UHFFFAOYSA-N 1 0 127.231 1.738 50 0 ADAARO CC[NH+]1CCC(CC(=O)OC)CC1 20608743 167199950 /nfs/dbraw/zinc/19/99/50/167199950.db2.gz QMRICSFRPSSGSI-UHFFFAOYSA-N 1 0 185.267 1.281 50 0 ADAARO CC[NH+]1CCC([C@@H](C)O)CC1 32187722 167201432 /nfs/dbraw/zinc/20/14/32/167201432.db2.gz MVEHLQBURCSCQA-MRVPVSSYSA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO CC[N@@H+]1CCCNC(C)(C)C1 62566368 167201632 /nfs/dbraw/zinc/20/16/32/167201632.db2.gz WWAZNWZVLQMHAI-UHFFFAOYSA-N 1 0 156.273 1.080 50 0 ADAARO CC[N@@H+]1CCCNC[C@H]1C(C)C 34928977 167201696 /nfs/dbraw/zinc/20/16/96/167201696.db2.gz PXRLGJYMPDOVAR-JTQLQIEISA-N 1 0 170.300 1.326 50 0 ADAARO CCN1CCC([NH+]2CCCCC2)CC1 279781 167202468 /nfs/dbraw/zinc/20/24/68/167202468.db2.gz ZAWZBNVKNOJTFZ-UHFFFAOYSA-N 1 0 196.338 1.957 50 0 ADAARO CC[NH+]1CCC([C@H](C)O)CC1 32187724 167202546 /nfs/dbraw/zinc/20/25/46/167202546.db2.gz MVEHLQBURCSCQA-QMMMGPOBSA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO CCN1CCC([NH2+]C2CC2)CC1 20285761 167202852 /nfs/dbraw/zinc/20/28/52/167202852.db2.gz ZLUQDLBKWXWVGL-UHFFFAOYSA-N 1 0 168.284 1.223 50 0 in-vitro ADAARO CC[NH+]1CCC(NC(=O)C(C)C)CC1 16604065 167203048 /nfs/dbraw/zinc/20/30/48/167203048.db2.gz NSZLHJRKSDTYEI-UHFFFAOYSA-N 1 0 198.310 1.243 50 0 ADAARO CC[N@@H+]1CCCCC[C@H]1CO 436625 167203169 /nfs/dbraw/zinc/20/31/69/167203169.db2.gz IAXTYTXEXUHZJE-VIFPVBQESA-N 1 0 157.257 1.243 50 0 ADAARO CC[N@@H+]1CCCNCC1(C)C 62566357 167203316 /nfs/dbraw/zinc/20/33/16/167203316.db2.gz PGCIKDPIKHORSK-UHFFFAOYSA-N 1 0 156.273 1.080 50 0 ADAARO CC[NH+]1CCC(N)(C(F)(F)F)CC1 82670728 167203347 /nfs/dbraw/zinc/20/33/47/167203347.db2.gz OTOQIXIQHRRHOG-UHFFFAOYSA-N 1 0 196.216 1.362 50 0 ADAARO CC[NH+]1CCCCC1 1577159 167204108 /nfs/dbraw/zinc/20/41/08/167204108.db2.gz HTLZVHNRZJPSMI-UHFFFAOYSA-N 1 0 113.204 1.492 50 0 in-vitro ADAARO CC[NH+]1CCC(n2nccc2N)CC1 4218630 167204246 /nfs/dbraw/zinc/20/42/46/167204246.db2.gz DVTSSWXYSFLILI-UHFFFAOYSA-N 1 0 194.282 1.122 50 0 ADAARO CC[NH+]1CCCC1 2382627 167204468 /nfs/dbraw/zinc/20/44/68/167204468.db2.gz ONQBOTKLCMXPOF-UHFFFAOYSA-N 1 0 99.177 1.102 50 0 in-vitro ADAARO CC[N@@H+]1CCCNC[C@@H]1C(C)C 34928975 167204483 /nfs/dbraw/zinc/20/44/83/167204483.db2.gz PXRLGJYMPDOVAR-SNVBAGLBSA-N 1 0 170.300 1.326 50 0 ADAARO CC[N@@H+]1CCCCC[C@@H]1CO 436627 167204799 /nfs/dbraw/zinc/20/47/99/167204799.db2.gz IAXTYTXEXUHZJE-SECBINFHSA-N 1 0 157.257 1.243 50 0 ADAARO CC[NH+]1CCCCCC1 2507950 167204838 /nfs/dbraw/zinc/20/48/38/167204838.db2.gz RUOFIIKCANAEBW-UHFFFAOYSA-N 1 0 127.231 1.882 50 0 ADAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)C 40025508 167210106 /nfs/dbraw/zinc/21/01/06/167210106.db2.gz YKOOEWXASCWRFK-JTQLQIEISA-N 1 0 198.310 1.243 50 0 ADAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)C 40025506 167210519 /nfs/dbraw/zinc/21/05/19/167210519.db2.gz YKOOEWXASCWRFK-SNVBAGLBSA-N 1 0 198.310 1.243 50 0 ADAARO CC[NH+]1CCN(Cc2ccoc2)CC1 19536300 167211321 /nfs/dbraw/zinc/21/13/21/167211321.db2.gz GBNIPRZPSVVWGI-UHFFFAOYSA-N 1 0 194.278 1.417 50 0 ADAARO CCN1CC[NH+]([C@@H]2CC[C@H](C)C2)CC1 19608840 167211666 /nfs/dbraw/zinc/21/16/66/167211666.db2.gz MOUMRBAJRLGWTH-NWDGAFQWSA-N 1 0 196.338 1.813 50 0 ADAARO CCN1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 19608835 167212018 /nfs/dbraw/zinc/21/20/18/167212018.db2.gz MOUMRBAJRLGWTH-VXGBXAGGSA-N 1 0 196.338 1.813 50 0 ADAARO CCN1CC[NH+]=C1SC 39238906 167212031 /nfs/dbraw/zinc/21/20/31/167212031.db2.gz UUKHHDQBZOVMIY-UHFFFAOYSA-N 1 0 144.243 1.041 50 0 ADAARO CCN1CC[NH+]([C@H]2CC[C@@H](C)C2)CC1 19608837 167212991 /nfs/dbraw/zinc/21/29/91/167212991.db2.gz MOUMRBAJRLGWTH-NEPJUHHUSA-N 1 0 196.338 1.813 50 0 ADAARO CCN1CC[NH+]([C@H]2CC[C@H](C)C2)CC1 19608841 167214068 /nfs/dbraw/zinc/21/40/68/167214068.db2.gz MOUMRBAJRLGWTH-RYUDHWBXSA-N 1 0 196.338 1.813 50 0 ADAARO CC[NH+]1CCN(Cc2ccco2)CC1 19537026 167214301 /nfs/dbraw/zinc/21/43/01/167214301.db2.gz LXMLTBJLKMHORK-UHFFFAOYSA-N 1 0 194.278 1.417 50 0 ADAARO CC[N@@H+]1CCc2c(N)cccc2C1 38032531 167221613 /nfs/dbraw/zinc/22/16/13/167221613.db2.gz BQEJAFIVZNAXGW-UHFFFAOYSA-N 1 0 176.263 1.647 50 0 in-vitro ADAARO CC[N@@H+]1C[C@@H](C)C(=O)C[C@@H]1C 4753664 167222949 /nfs/dbraw/zinc/22/29/49/167222949.db2.gz NIJTYYIKYWTEQR-SFYZADRCSA-N 1 0 155.241 1.306 50 0 ADAARO CC[N@@H+]1CCc2nc(N)sc2C1 19831662 167223001 /nfs/dbraw/zinc/22/30/01/167223001.db2.gz MSKNCRMLUUGTDB-UHFFFAOYSA-N 1 0 183.280 1.103 50 0 in-vitro ADAARO CC[N@@H+]1CC[C@H](O)[C@@H](C)[C@H]1C 249698693 167223059 /nfs/dbraw/zinc/22/30/59/167223059.db2.gz WEPBBBLOFRSXAV-YIZRAAEISA-N 1 0 157.257 1.098 50 0 ADAARO CC[N@@H+]1CC[C@H](O)[C@@H](C)[C@@H]1C 15021660 167223478 /nfs/dbraw/zinc/22/34/78/167223478.db2.gz WEPBBBLOFRSXAV-CIUDSAMLSA-N 1 0 157.257 1.098 50 0 ADAARO CC[N@@H+]1CC[C@H](O)[C@H](C)[C@H]1C 249698692 167223629 /nfs/dbraw/zinc/22/36/29/167223629.db2.gz WEPBBBLOFRSXAV-HLTSFMKQSA-N 1 0 157.257 1.098 50 0 ADAARO CC[N@@H+]1CC[C@H](O)[C@H](C)[C@@H]1C 4751293 167224997 /nfs/dbraw/zinc/22/49/97/167224997.db2.gz WEPBBBLOFRSXAV-VGMNWLOBSA-N 1 0 157.257 1.098 50 0 ADAARO CC[N@@H+]1Cc2ccc(N)cc2C1 11731032 167225871 /nfs/dbraw/zinc/22/58/71/167225871.db2.gz GPTKTLALJBGUGE-UHFFFAOYSA-N 1 0 162.236 1.604 50 0 in-vitro ADAARO CCN1C[C@@H](C)SC1=[NH2+] 5247224 167226438 /nfs/dbraw/zinc/22/64/38/167226438.db2.gz IZVPYFQZHIDSTH-RXMQYKEDSA-N 1 0 144.243 1.378 50 0 ADAARO CCN1Cc2ccccc2C1=[NH2+] 20078837 167227060 /nfs/dbraw/zinc/22/70/60/167227060.db2.gz USJRVQWIMMYHJP-UHFFFAOYSA-N 1 0 160.220 1.847 50 0 ADAARO CC[N@@H+]1Cc2cccc(N)c2C1 11730924 167227270 /nfs/dbraw/zinc/22/72/70/167227270.db2.gz YNDISBLRDVYNQM-UHFFFAOYSA-N 1 0 162.236 1.604 50 0 in-vitro ADAARO CC[N@@H+]1C[C@H](C)O[C@H](C2CC2)C1 307052255 167227311 /nfs/dbraw/zinc/22/73/11/167227311.db2.gz JQUYSZFMHSYLJQ-WPRPVWTQSA-N 1 0 169.268 1.506 50 0 ADAARO CCN1C[C@H](C)SC1=[NH2+] 5247223 167227330 /nfs/dbraw/zinc/22/73/30/167227330.db2.gz IZVPYFQZHIDSTH-YFKPBYRVSA-N 1 0 144.243 1.378 50 0 ADAARO CC[N@H+]1C[C@H](C2CC2)O[C@H](C)C1 307052249 167227734 /nfs/dbraw/zinc/22/77/34/167227734.db2.gz JQUYSZFMHSYLJQ-PSASIEDQSA-N 1 0 169.268 1.506 50 0 ADAARO CC[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 307052251 167228120 /nfs/dbraw/zinc/22/81/20/167228120.db2.gz JQUYSZFMHSYLJQ-SCZZXKLOSA-N 1 0 169.268 1.506 50 0 ADAARO CC[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 307052253 167228685 /nfs/dbraw/zinc/22/86/85/167228685.db2.gz JQUYSZFMHSYLJQ-WCBMZHEXSA-N 1 0 169.268 1.506 50 0 ADAARO CC[N@@H+]1C[C@H](C)C(=O)C[C@@H]1C 4753662 167229193 /nfs/dbraw/zinc/22/91/93/167229193.db2.gz NIJTYYIKYWTEQR-YUMQZZPRSA-N 1 0 155.241 1.306 50 0 ADAARO CCNC(=[NH2+])c1ccccn1 33359739 167230517 /nfs/dbraw/zinc/23/05/17/167230517.db2.gz WOXJBQMUHZACMF-UHFFFAOYSA-N 1 0 149.197 1.016 50 0 ADAARO CCNC(=[NH2+])c1cccnc1 33359743 167233048 /nfs/dbraw/zinc/23/30/48/167233048.db2.gz JEPATWGJPHCUSC-UHFFFAOYSA-N 1 0 149.197 1.016 50 0 ADAARO CCNC(=O)CC[NH2+]C1CCCCC1 19736973 167233235 /nfs/dbraw/zinc/23/32/35/167233235.db2.gz YQEHWDAEJSWAQF-UHFFFAOYSA-N 1 0 198.310 1.435 50 0 ADAARO CCNC(=[NH2+])c1ccncc1 32498077 167233371 /nfs/dbraw/zinc/23/33/71/167233371.db2.gz CVCNLGANKMHQNQ-UHFFFAOYSA-N 1 0 149.197 1.016 50 0 ADAARO CC[NH2+]C(CC)CC 19091338 167254828 /nfs/dbraw/zinc/25/48/28/167254828.db2.gz BWDGPBXONNMLIO-UHFFFAOYSA-N 1 0 115.220 1.785 50 0 in-vitro ADAARO CC[NH2+]C(C)C 1648991 167254919 /nfs/dbraw/zinc/25/49/19/167254919.db2.gz RIVIDPPYRINTTH-UHFFFAOYSA-N 1 0 87.166 1.004 50 0 in-vitro ADAARO CC[NH2+]C(C)(C)C 2522793 167256581 /nfs/dbraw/zinc/25/65/81/167256581.db2.gz XQOIBQBPAXOVGP-UHFFFAOYSA-N 1 0 101.193 1.394 50 0 in-vitro ADAARO CC[NH2+]C1CCCCC1 1693374 167257193 /nfs/dbraw/zinc/25/71/93/167257193.db2.gz AGVKXDPPPSLISR-UHFFFAOYSA-N 1 0 127.231 1.929 50 0 in-vitro ADAARO CC[NH2+]C1CCCC1 12403783 167258075 /nfs/dbraw/zinc/25/80/75/167258075.db2.gz SRTHFWNTKVOSBA-UHFFFAOYSA-N 1 0 113.204 1.539 50 0 in-vitro ADAARO CC[NH2+]CC(=O)Nc1ccccc1 19265534 167258286 /nfs/dbraw/zinc/25/82/86/167258286.db2.gz HENRAYLUSRHIHV-UHFFFAOYSA-N 1 0 178.235 1.235 50 0 in-vitro ADAARO CC[NH2+]C1CCC1 44479815 167258691 /nfs/dbraw/zinc/25/86/91/167258691.db2.gz JPWYYRCELICUKE-UHFFFAOYSA-N 1 0 99.177 1.148 50 0 in-vitro ADAARO CC[NH2+]CC(=O)Nc1ccccc1C 19277106 167258770 /nfs/dbraw/zinc/25/87/70/167258770.db2.gz IXDBFIUWHSYXQT-UHFFFAOYSA-N 1 0 192.262 1.543 50 0 ADAARO CC[NH2+]C1CCC(C(=O)OCC)CC1 37788148 167260035 /nfs/dbraw/zinc/26/00/35/167260035.db2.gz UCLDINYUVODFTJ-UHFFFAOYSA-N 1 0 199.294 1.718 50 0 in-vitro ADAARO CC[NH2+]C1Cc2ccccc2C1 15424435 167260122 /nfs/dbraw/zinc/26/01/22/167260122.db2.gz RAJHFMSNMQFOPU-UHFFFAOYSA-N 1 0 161.248 1.763 50 0 ADAARO CC[NH2+]CC1CC1 19885046 167260830 /nfs/dbraw/zinc/26/08/30/167260830.db2.gz UHFLNWZBNRVHGM-UHFFFAOYSA-N 1 0 99.177 1.006 50 0 in-vitro ADAARO CC[NH2+]CCCNCc1ccco1 13735202 167260874 /nfs/dbraw/zinc/26/08/74/167260874.db2.gz HIVXAYKDDRGBCT-UHFFFAOYSA-N 1 0 182.267 1.369 50 0 ADAARO CC[NH2+]CCC(F)(F)F 36923674 167260929 /nfs/dbraw/zinc/26/09/29/167260929.db2.gz DDCUMHOQMAWOKZ-UHFFFAOYSA-N 1 0 141.136 1.548 50 0 in-vitro ADAARO CC[NH2+]CCCNCc1cccnc1 13734770 167261037 /nfs/dbraw/zinc/26/10/37/167261037.db2.gz OQPKGQCDADGEOL-UHFFFAOYSA-N 1 0 193.294 1.171 50 0 ADAARO CC[NH2+]CCC1CC1 49730491 167261846 /nfs/dbraw/zinc/26/18/46/167261846.db2.gz ZRUBNAJYJSKVGO-UHFFFAOYSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO CC[NH2+]CC1CCC1 26510797 167261854 /nfs/dbraw/zinc/26/18/54/167261854.db2.gz NKUQXCMUVWBWBU-UHFFFAOYSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO CC[NH2+]CC1CCCC1 36947834 167262071 /nfs/dbraw/zinc/26/20/71/167262071.db2.gz NWIOJXJADHKWLZ-UHFFFAOYSA-N 1 0 127.231 1.786 50 0 ADAARO CC[NH2+]CC(C)(C)C 19090675 167262635 /nfs/dbraw/zinc/26/26/35/167262635.db2.gz WHXPIXBWEZSBJL-UHFFFAOYSA-N 1 0 115.220 1.642 50 0 in-vitro ADAARO CC[NH2+]CC(C)C 14593079 167262951 /nfs/dbraw/zinc/26/29/51/167262951.db2.gz FNLUJDLKYOWMMF-UHFFFAOYSA-N 1 0 101.193 1.252 50 0 in-vitro ADAARO CC[NH2+]CC1CCOCC1 19092826 167263056 /nfs/dbraw/zinc/26/30/56/167263056.db2.gz SPIBNYIRDDCSOO-UHFFFAOYSA-N 1 0 143.230 1.023 50 0 in-vitro ADAARO CC[NH2+]CCOc1ccc(C)cc1 19094292 167264622 /nfs/dbraw/zinc/26/46/22/167264622.db2.gz YIYRHGHGFBFCDR-UHFFFAOYSA-N 1 0 179.263 1.983 50 0 in-vitro ADAARO CC[NH2+]CCN1CCCC[C@H]1CC 19737128 167264854 /nfs/dbraw/zinc/26/48/54/167264854.db2.gz KFGCGRWAWOZDEK-LLVKDONJSA-N 1 0 184.327 1.860 50 0 ADAARO CC[NH2+]CCOC(C)(C)C 43500883 167265085 /nfs/dbraw/zinc/26/50/85/167265085.db2.gz PFNDMUCCTVWWPG-UHFFFAOYSA-N 1 0 145.246 1.411 50 0 ADAARO CC[NH2+]CCNC(=O)OC(C)(C)C 39953854 167265147 /nfs/dbraw/zinc/26/51/47/167265147.db2.gz JMIGZQVLLZKDIS-UHFFFAOYSA-N 1 0 188.271 1.121 50 0 in-vitro ADAARO CC[NH2+]CCN1C[C@H](C)C[C@@H](C)C1 19737125 167265332 /nfs/dbraw/zinc/26/53/32/167265332.db2.gz VQBUMRMEVNBSKO-GHMZBOCLSA-N 1 0 184.327 1.574 50 0 ADAARO CCNCC[NH2+]C1CCCCC1 39712248 167265429 /nfs/dbraw/zinc/26/54/29/167265429.db2.gz YVWCJMITLSXEQB-UHFFFAOYSA-N 1 0 170.300 1.518 50 0 in-vitro ADAARO CC[NH2+]CCN(C)CC(F)(F)F 44381138 167265962 /nfs/dbraw/zinc/26/59/62/167265962.db2.gz MCWHROOYBHGKDA-UHFFFAOYSA-N 1 0 184.205 1.090 50 0 in-vitro ADAARO CC[NH2+]CCN1C[C@@H](C)C[C@H](C)C1 19737126 167265995 /nfs/dbraw/zinc/26/59/95/167265995.db2.gz VQBUMRMEVNBSKO-QWRGUYRKSA-N 1 0 184.327 1.574 50 0 ADAARO CC[NH2+]CCN1CCCCC1 95346838 167266002 /nfs/dbraw/zinc/26/60/02/167266002.db2.gz XUHUOUMBXWRQQH-UHFFFAOYSA-N 1 0 156.273 1.082 50 0 in-vitro ADAARO CC[NH2+]CCOc1ccc(OC)cc1 19094100 167266081 /nfs/dbraw/zinc/26/60/81/167266081.db2.gz HNYCFGODLMERFV-UHFFFAOYSA-N 1 0 195.262 1.684 50 0 in-vitro ADAARO CC[NH2+]CCN1C[C@@H](C)C[C@@H](C)C1 19737124 167266411 /nfs/dbraw/zinc/26/64/11/167266411.db2.gz VQBUMRMEVNBSKO-PHIMTYICSA-N 1 0 184.327 1.574 50 0 ADAARO CC[NH2+]CCNCc1ccccc1 44651726 167266622 /nfs/dbraw/zinc/26/66/22/167266622.db2.gz CFSAIDDTIORUEW-UHFFFAOYSA-N 1 0 178.279 1.386 50 0 ADAARO CC[NH2+]CCN1CCCC[C@@H]1CC 19737127 167267093 /nfs/dbraw/zinc/26/70/93/167267093.db2.gz KFGCGRWAWOZDEK-NSHDSACASA-N 1 0 184.327 1.860 50 0 ADAARO CC[NH2+]CCN1CCC(C)CC1 32445501 167267106 /nfs/dbraw/zinc/26/71/06/167267106.db2.gz BEXZRZRCZHVZFM-UHFFFAOYSA-N 1 0 170.300 1.328 50 0 in-vitro ADAARO CC[NH2+]CCOc1ccc(F)cc1 19094301 167267131 /nfs/dbraw/zinc/26/71/31/167267131.db2.gz YONGVRAOXBBZML-UHFFFAOYSA-N 1 0 183.226 1.814 50 0 in-vitro ADAARO CC[NH2+]CCN1CCCCCC1 32445498 167267260 /nfs/dbraw/zinc/26/72/60/167267260.db2.gz XGFQAQPRHSNKRA-UHFFFAOYSA-N 1 0 170.300 1.472 50 0 in-vitro ADAARO CC[NH2+]CCOc1ccccc1 4578700 167267712 /nfs/dbraw/zinc/26/77/12/167267712.db2.gz JOPASECFKWQSNQ-UHFFFAOYSA-N 1 0 165.236 1.675 50 0 in-vitro ADAARO CC[NH2+]C[C@@H](C)CC 20084548 167268211 /nfs/dbraw/zinc/26/82/11/167268211.db2.gz WCDOAVZNGVXEIL-ZETCQYMHSA-N 1 0 115.220 1.642 50 0 in-vitro ADAARO CC[NH2+]CCc1ccccc1 10474751 167268222 /nfs/dbraw/zinc/26/82/22/167268222.db2.gz WOHOHPONCSKXSQ-UHFFFAOYSA-N 1 0 149.237 1.839 50 0 ADAARO CC[NH2+]CCOc1ccccc1OC 19094157 167268326 /nfs/dbraw/zinc/26/83/26/167268326.db2.gz KVFTZNUFVREYKY-UHFFFAOYSA-N 1 0 195.262 1.684 50 0 in-vitro ADAARO CC[NH2+]CC[C@H]1CCOC1 53302108 167268805 /nfs/dbraw/zinc/26/88/05/167268805.db2.gz XIJLBGFAZBFQCN-QMMMGPOBSA-N 1 0 143.230 1.023 50 0 ADAARO CC[NH2+]CCc1cccs1 19949387 167268869 /nfs/dbraw/zinc/26/88/69/167268869.db2.gz GMVAHTDYBPNNCC-UHFFFAOYSA-N 1 0 155.266 1.900 50 0 in-vitro ADAARO CC[NH2+]CCc1ccccn1 5981534 167269310 /nfs/dbraw/zinc/26/93/10/167269310.db2.gz IFZVQNMIQKLTKI-UHFFFAOYSA-N 1 0 150.225 1.234 50 0 in-vitro ADAARO CC[NH2+]CCOc1ccccc1F 19094315 167269343 /nfs/dbraw/zinc/26/93/43/167269343.db2.gz RFPTTZZABGFBDC-UHFFFAOYSA-N 1 0 183.226 1.814 50 0 in-vitro ADAARO CC[NH2+]C[C@@H](O)COc1ccccc1 2466009 167269466 /nfs/dbraw/zinc/26/94/66/167269466.db2.gz HFOAMOYLGQYKAQ-SNVBAGLBSA-N 1 0 195.262 1.036 50 0 in-vitro ADAARO CC[NH2+]CC[C@@H]1CCCOC1 82954731 167269641 /nfs/dbraw/zinc/26/96/41/167269641.db2.gz XSVKONXQZZBBSL-VIFPVBQESA-N 1 0 157.257 1.413 50 0 ADAARO CC[NH2+]CCc1ccncc1 11847649 167269667 /nfs/dbraw/zinc/26/96/67/167269667.db2.gz CLCYLOJYUMTESR-UHFFFAOYSA-N 1 0 150.225 1.234 50 0 in-vitro ADAARO CC[NH2+]C[C@@H](N)c1ccccc1 40409275 167269696 /nfs/dbraw/zinc/26/96/96/167269696.db2.gz BXEFXICITKYXKB-SNVBAGLBSA-N 1 0 164.252 1.296 50 0 in-vitro ADAARO CC[NH2+]CC[C@H]1CCCOC1 82954732 167269795 /nfs/dbraw/zinc/26/97/95/167269795.db2.gz XSVKONXQZZBBSL-SECBINFHSA-N 1 0 157.257 1.413 50 0 ADAARO CC[NH2+]CC[C@@H]1CCOC1 53302107 167270038 /nfs/dbraw/zinc/27/00/38/167270038.db2.gz XIJLBGFAZBFQCN-MRVPVSSYSA-N 1 0 143.230 1.023 50 0 ADAARO CC[NH2+]CCOc1cccc(C)c1 19094176 167270094 /nfs/dbraw/zinc/27/00/94/167270094.db2.gz PPYRVRRMYRNNML-UHFFFAOYSA-N 1 0 179.263 1.983 50 0 in-vitro ADAARO CC[NH2+]CCOc1ccccc1C 19094372 167270267 /nfs/dbraw/zinc/27/02/67/167270267.db2.gz RSRVZPHVIXDLKN-UHFFFAOYSA-N 1 0 179.263 1.983 50 0 in-vitro ADAARO CC[NH2+]CCOc1cccc(OC)c1 19094423 167270317 /nfs/dbraw/zinc/27/03/17/167270317.db2.gz CDRKZAFQUWLOIW-UHFFFAOYSA-N 1 0 195.262 1.684 50 0 in-vitro ADAARO CC[NH2+]CCc1nccs1 41620551 167270381 /nfs/dbraw/zinc/27/03/81/167270381.db2.gz DXYQLJDVBNCPNW-UHFFFAOYSA-N 1 0 156.254 1.295 50 0 in-vitro ADAARO CC[NH2+]CCc1ccc(OC)cc1 11755861 167270447 /nfs/dbraw/zinc/27/04/47/167270447.db2.gz XSGSTHQZHRLSHO-UHFFFAOYSA-N 1 0 179.263 1.847 50 0 ADAARO CC[NH2+]CCc1nc2ccccc2[nH]1 19089163 167270456 /nfs/dbraw/zinc/27/04/56/167270456.db2.gz UHODFFODZCPKBX-UHFFFAOYSA-N 1 0 189.262 1.715 50 0 in-vitro ADAARO CC[NH2+]C[C@H]1CCCCO1 19090282 167270741 /nfs/dbraw/zinc/27/07/41/167270741.db2.gz NWPMUJHTBUOZQN-MRVPVSSYSA-N 1 0 143.230 1.165 50 0 ADAARO CC[NH2+]C[C@@H]1CCCN1CC 19960685 167271121 /nfs/dbraw/zinc/27/11/21/167271121.db2.gz VXZJMCUARPMTDY-VIFPVBQESA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO CC[NH2+]C[C@H](C)CC 20084550 167271161 /nfs/dbraw/zinc/27/11/61/167271161.db2.gz WCDOAVZNGVXEIL-SSDOTTSWSA-N 1 0 115.220 1.642 50 0 in-vitro ADAARO CC[NH2+]C[C@H](O)c1cccc(O)c1 2040148 167271200 /nfs/dbraw/zinc/27/12/00/167271200.db2.gz SQVIAVUSQAWMKL-JTQLQIEISA-N 1 0 181.235 1.035 50 0 in-man ADAARO CC[NH2+]C[C@@H]1COc2ccccc2O1 3887126 167271313 /nfs/dbraw/zinc/27/13/13/167271313.db2.gz YJPHXPWNPFQMGC-SECBINFHSA-N 1 0 193.246 1.436 50 0 in-vitro ADAARO CC[NH2+]C[C@@H]1CCCCO1 19090279 167271388 /nfs/dbraw/zinc/27/13/88/167271388.db2.gz NWPMUJHTBUOZQN-QMMMGPOBSA-N 1 0 143.230 1.165 50 0 ADAARO CC[NH2+]C[C@@](C)(O)c1ccccc1 1779813 167271391 /nfs/dbraw/zinc/27/13/91/167271391.db2.gz DCMGFEOPPWRJGE-LLVKDONJSA-N 1 0 179.263 1.504 50 0 ADAARO CC[NH2+]C[C@H](N)c1ccccc1 40409271 167271437 /nfs/dbraw/zinc/27/14/37/167271437.db2.gz BXEFXICITKYXKB-JTQLQIEISA-N 1 0 164.252 1.296 50 0 in-vitro ADAARO CC[NH2+]C[C@@H](O)c1ccc(C)cc1 32007283 167271628 /nfs/dbraw/zinc/27/16/28/167271628.db2.gz GDCUSGYMFNHMTA-LLVKDONJSA-N 1 0 179.263 1.638 50 0 in-vitro ADAARO CC[NH2+]C[C@@H]1Cc2ccccc2O1 4009347 167271907 /nfs/dbraw/zinc/27/19/07/167271907.db2.gz ARWUGHLZFYRZDM-JTQLQIEISA-N 1 0 177.247 1.600 50 0 ADAARO CC[NH2+]C[C@@H](O)c1cccc(O)c1 2040149 167272272 /nfs/dbraw/zinc/27/22/72/167272272.db2.gz SQVIAVUSQAWMKL-SNVBAGLBSA-N 1 0 181.235 1.035 50 0 in-man ADAARO CC[NH2+]C[C@H](O)COc1ccccc1 2466008 167272433 /nfs/dbraw/zinc/27/24/33/167272433.db2.gz HFOAMOYLGQYKAQ-JTQLQIEISA-N 1 0 195.262 1.036 50 0 in-vitro ADAARO CC[NH2+]C[C@H](O)c1ccc(C)cc1 32007284 167272545 /nfs/dbraw/zinc/27/25/45/167272545.db2.gz GDCUSGYMFNHMTA-NSHDSACASA-N 1 0 179.263 1.638 50 0 in-vitro ADAARO CC[NH2+]C[C@@H]1OCCc2ccccc21 2445943 167272853 /nfs/dbraw/zinc/27/28/53/167272853.db2.gz SUSCWFXNCVOWIS-LBPRGKRZSA-N 1 0 191.274 1.910 50 0 ADAARO CC[NH2+]Cc1ccc(OC)c(OC)c1 4206312 167273355 /nfs/dbraw/zinc/27/33/55/167273355.db2.gz PIRSOWTWSUIYFA-UHFFFAOYSA-N 1 0 195.262 1.813 50 0 in-vitro ADAARO CC[NH2+]Cc1ccc(OCCO)cc1 13731017 167273378 /nfs/dbraw/zinc/27/33/78/167273378.db2.gz SZAJZKDDKOJNRR-UHFFFAOYSA-N 1 0 195.262 1.167 50 0 ADAARO CC[NH2+]Cc1ccc(F)c(OC)c1 83340820 167273396 /nfs/dbraw/zinc/27/33/96/167273396.db2.gz VJVHDBMDSSCAAK-UHFFFAOYSA-N 1 0 183.226 1.944 50 0 ADAARO CC[NH2+]Cc1ccc(OC)c(F)c1 4205443 167273714 /nfs/dbraw/zinc/27/37/14/167273714.db2.gz YUQKHUYWHKNITB-UHFFFAOYSA-N 1 0 183.226 1.944 50 0 in-vitro ADAARO CC[NH2+]Cc1ccc(F)cc1 8227276 167273748 /nfs/dbraw/zinc/27/37/48/167273748.db2.gz CURFQQZYGVCIGJ-UHFFFAOYSA-N 1 0 153.200 1.935 50 0 in-vitro ADAARO CC[NH2+]C[C@H]1Cc2ccccc2O1 4009348 167273894 /nfs/dbraw/zinc/27/38/94/167273894.db2.gz ARWUGHLZFYRZDM-SNVBAGLBSA-N 1 0 177.247 1.600 50 0 ADAARO CC[NH2+]Cc1c(C)nn(C)c1Cl 40538466 167273985 /nfs/dbraw/zinc/27/39/85/167273985.db2.gz BIFNOOQLZGKYOK-UHFFFAOYSA-N 1 0 187.674 1.491 50 0 ADAARO CC[NH2+]Cc1ccc(C)o1 4298822 167274124 /nfs/dbraw/zinc/27/41/24/167274124.db2.gz JJNDMNKUTSKBDH-UHFFFAOYSA-N 1 0 139.198 1.698 50 0 in-vitro ADAARO CC[NH2+]Cc1ccc(Cl)nc1 22114300 167274260 /nfs/dbraw/zinc/27/42/60/167274260.db2.gz VLDUMLMCDDLHCN-UHFFFAOYSA-N 1 0 170.643 1.845 50 0 in-vitro ADAARO CC[NH2+]Cc1ccc(OC)cc1OC 2903136 167274555 /nfs/dbraw/zinc/27/45/55/167274555.db2.gz ZHSIYZDPCFMJGZ-UHFFFAOYSA-N 1 0 195.262 1.813 50 0 in-vitro ADAARO CC[NH2+]Cc1ccc(O)cc1 11920609 167274862 /nfs/dbraw/zinc/27/48/62/167274862.db2.gz QXPDGPSSMVINMG-UHFFFAOYSA-N 1 0 151.209 1.502 50 0 in-vitro ADAARO CC[NH2+]C[C@H]1OCCc2ccccc21 2445944 167275040 /nfs/dbraw/zinc/27/50/40/167275040.db2.gz SUSCWFXNCVOWIS-GFCCVEGCSA-N 1 0 191.274 1.910 50 0 ADAARO CC[NH2+]Cc1c(C)nn(C)c1C 11920320 167275103 /nfs/dbraw/zinc/27/51/03/167275103.db2.gz UMXGKHVBQSAEKG-UHFFFAOYSA-N 1 0 167.256 1.146 50 0 ADAARO CC[NH2+]C[C@](C)(O)c1ccccc1 1779811 167275143 /nfs/dbraw/zinc/27/51/43/167275143.db2.gz DCMGFEOPPWRJGE-NSHDSACASA-N 1 0 179.263 1.504 50 0 ADAARO CC[NH2+]C[C@H]1COc2ccccc2O1 3887127 167275248 /nfs/dbraw/zinc/27/52/48/167275248.db2.gz YJPHXPWNPFQMGC-VIFPVBQESA-N 1 0 193.246 1.436 50 0 in-vitro ADAARO CC[NH2+]Cc1c(C)nn(CC)c1C 2552529 167275275 /nfs/dbraw/zinc/27/52/75/167275275.db2.gz NWFRQPJKLCWABC-UHFFFAOYSA-N 1 0 181.283 1.629 50 0 in-vitro ADAARO CC[NH2+]C[C@H]1CCCN1CC 19960689 167275308 /nfs/dbraw/zinc/27/53/08/167275308.db2.gz VXZJMCUARPMTDY-SECBINFHSA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO CC[NH2+]Cc1ccc(OC)cc1 1649053 167275361 /nfs/dbraw/zinc/27/53/61/167275361.db2.gz SYGACMXWLAQEPN-UHFFFAOYSA-N 1 0 165.236 1.805 50 0 in-vitro ADAARO CC[NH2+]Cc1ccc(O)c(OCC)c1 19509657 167275442 /nfs/dbraw/zinc/27/54/42/167275442.db2.gz VZXLPYMRPMAPCB-UHFFFAOYSA-N 1 0 195.262 1.900 50 0 in-vitro ADAARO CC[NH2+]Cc1cccc(F)c1 4205826 167276243 /nfs/dbraw/zinc/27/62/43/167276243.db2.gz QAPAPLIQQTVEJZ-UHFFFAOYSA-N 1 0 153.200 1.935 50 0 in-vitro ADAARO CC[NH2+]Cc1cccc(C)n1 36947842 167276395 /nfs/dbraw/zinc/27/63/95/167276395.db2.gz FCDHFFGNRGXMOO-UHFFFAOYSA-N 1 0 150.225 1.500 50 0 in-vitro ADAARO CC[NH2+]Cc1cccc(O)c1 11920606 167276616 /nfs/dbraw/zinc/27/66/16/167276616.db2.gz TUMYKIYLRIVICV-UHFFFAOYSA-N 1 0 151.209 1.502 50 0 in-vitro ADAARO CC[NH2+]Cc1cn(CC)nc1C 2552534 167276633 /nfs/dbraw/zinc/27/66/33/167276633.db2.gz SESCICPBCSPNEH-UHFFFAOYSA-N 1 0 167.256 1.321 50 0 in-vitro ADAARO CC[NH2+]Cc1ccccc1OC 2563411 167276902 /nfs/dbraw/zinc/27/69/02/167276902.db2.gz JWUPFXRVSIJGAM-UHFFFAOYSA-N 1 0 165.236 1.805 50 0 in-vitro ADAARO CC[NH2+]Cc1ccccc1F 2510325 167276930 /nfs/dbraw/zinc/27/69/30/167276930.db2.gz AEWPBFIYUCYSHZ-UHFFFAOYSA-N 1 0 153.200 1.935 50 0 ADAARO CC[NH2+]Cc1cnc2ccccn12 90397967 167276986 /nfs/dbraw/zinc/27/69/86/167276986.db2.gz ZKRLNOMKKVUMTA-UHFFFAOYSA-N 1 0 175.235 1.444 50 0 ADAARO CC[NH2+]Cc1ccccn1 6870007 167277154 /nfs/dbraw/zinc/27/71/54/167277154.db2.gz BQSUUGOCTJVJIF-UHFFFAOYSA-N 1 0 136.198 1.191 50 0 in-vitro ADAARO CC[NH2+]Cc1nccs1 4298827 167277272 /nfs/dbraw/zinc/27/72/72/167277272.db2.gz ICZJAGGKGHNBQO-UHFFFAOYSA-N 1 0 142.227 1.253 50 0 in-vitro ADAARO CC[NH2+]Cc1cccs1 4205747 167277323 /nfs/dbraw/zinc/27/73/23/167277323.db2.gz LZRQTSDHULJXBN-UHFFFAOYSA-N 1 0 141.239 1.858 50 0 in-vitro ADAARO CC[NH2+]Cc1cccc2c1OCO2 36167379 167277329 /nfs/dbraw/zinc/27/73/29/167277329.db2.gz JFASGQBIEKYYHQ-UHFFFAOYSA-N 1 0 179.219 1.525 50 0 in-vitro ADAARO CC[NH2+]Cc1cscn1 34924891 167277372 /nfs/dbraw/zinc/27/73/72/167277372.db2.gz WYNIMTCZOHISPQ-UHFFFAOYSA-N 1 0 142.227 1.253 50 0 ADAARO CC[NH2+]Cc1ccoc1 34977662 167277626 /nfs/dbraw/zinc/27/76/26/167277626.db2.gz IDSQNSWWKTUGEP-UHFFFAOYSA-N 1 0 125.171 1.389 50 0 in-vitro ADAARO CC[NH2+]Cc1occc1C 36947830 167277711 /nfs/dbraw/zinc/27/77/11/167277711.db2.gz CLLFAGIGNWDHDI-UHFFFAOYSA-N 1 0 139.198 1.698 50 0 ADAARO CC[NH2+]Cc1cccc(OC)c1 8227299 167277744 /nfs/dbraw/zinc/27/77/44/167277744.db2.gz UJJCCNDLJXEMPR-UHFFFAOYSA-N 1 0 165.236 1.805 50 0 ADAARO CC[NH2+]Cc1cncs1 39134484 167277799 /nfs/dbraw/zinc/27/77/99/167277799.db2.gz LPMZQERTULHOPE-UHFFFAOYSA-N 1 0 142.227 1.253 50 0 ADAARO CC[NH2+]Cc1ccnc(C(C)C)n1 22862107 167277843 /nfs/dbraw/zinc/27/78/43/167277843.db2.gz WJMXHFXBXPAOTQ-UHFFFAOYSA-N 1 0 179.267 1.710 50 0 ADAARO CC[NH2+]Cc1ccc2c(c1)OCCO2 3888013 167277922 /nfs/dbraw/zinc/27/79/22/167277922.db2.gz BJWLBBRWMXCZLV-UHFFFAOYSA-N 1 0 193.246 1.567 50 0 in-vitro ADAARO CC[NH2+]Cc1ccccc1N 11920618 167277940 /nfs/dbraw/zinc/27/79/40/167277940.db2.gz FGODIPLKTXOLLN-UHFFFAOYSA-N 1 0 150.225 1.378 50 0 ADAARO CC[NH2+]Cc1cccnc1 6870009 167278094 /nfs/dbraw/zinc/27/80/94/167278094.db2.gz SGROJTFSHJVVSF-UHFFFAOYSA-N 1 0 136.198 1.191 50 0 in-vitro ADAARO CC[NH2+]Cc1nccn1CC 4243952 167278159 /nfs/dbraw/zinc/27/81/59/167278159.db2.gz LSNKQYMJJFYPSE-UHFFFAOYSA-N 1 0 153.229 1.013 50 0 ADAARO CC[NH2+]Cc1ccco1 2021099 167278265 /nfs/dbraw/zinc/27/82/65/167278265.db2.gz CBVNYJPAGHUWKC-UHFFFAOYSA-N 1 0 125.171 1.389 50 0 in-vitro ADAARO CC[NH2+]Cc1ccc2c(c1)OCO2 1711245 167278312 /nfs/dbraw/zinc/27/83/12/167278312.db2.gz COTCHBBRLLCOKK-UHFFFAOYSA-N 1 0 179.219 1.525 50 0 in-vitro ADAARO CC[NH2+]Cc1cnc(Cl)s1 66322955 167278356 /nfs/dbraw/zinc/27/83/56/167278356.db2.gz GSTCXGLYLWATEA-UHFFFAOYSA-N 1 0 176.672 1.906 50 0 in-vitro ADAARO CC[NH2+]Cc1ccncc1 1760653 167278363 /nfs/dbraw/zinc/27/83/63/167278363.db2.gz ZBAMQLFFVBPAOX-UHFFFAOYSA-N 1 0 136.198 1.191 50 0 in-vitro ADAARO CC[NH2+]Cc1cnn(CC)c1C 9340902 167278462 /nfs/dbraw/zinc/27/84/62/167278462.db2.gz OHGSEVDQYHENGZ-UHFFFAOYSA-N 1 0 167.256 1.321 50 0 ADAARO CC[NH2+]Cc1nc(C)c(C)n1C 22861661 167278472 /nfs/dbraw/zinc/27/84/72/167278472.db2.gz QXMQBNIZENYLJN-UHFFFAOYSA-N 1 0 167.256 1.146 50 0 ADAARO CC[NH2+]Cc1nc(C)cs1 4298829 167278566 /nfs/dbraw/zinc/27/85/66/167278566.db2.gz OJAWZQZIGMEFMM-UHFFFAOYSA-N 1 0 156.254 1.561 50 0 ADAARO CC[NH2+]Cc1cnn(CC)c1 9302652 167278615 /nfs/dbraw/zinc/27/86/15/167278615.db2.gz FZZKADOEHOISDP-UHFFFAOYSA-N 1 0 153.229 1.013 50 0 in-vitro ADAARO CC[NH2+]Cc1nc2ccccc2n1C 20216476 167278826 /nfs/dbraw/zinc/27/88/26/167278826.db2.gz GVEPEGPDPYJRLB-UHFFFAOYSA-N 1 0 189.262 1.683 50 0 ADAARO CC[NH2+]Cc1ncccc1C 42784278 167278839 /nfs/dbraw/zinc/27/88/39/167278839.db2.gz PTEUJVOAIMEICE-UHFFFAOYSA-N 1 0 150.225 1.500 50 0 ADAARO CC[NH2+]Cc1ccccc1 1683527 167278845 /nfs/dbraw/zinc/27/88/45/167278845.db2.gz HVAAHUDGWQAAOJ-UHFFFAOYSA-N 1 0 135.210 1.796 50 0 ADAARO CC[NH2+]Cc1scnc1C 34977653 167278936 /nfs/dbraw/zinc/27/89/36/167278936.db2.gz YQMGVYRMGRYCIC-UHFFFAOYSA-N 1 0 156.254 1.561 50 0 ADAARO CC[NH2+]Cc1ccccc1N(C)C 34824263 167278953 /nfs/dbraw/zinc/27/89/53/167278953.db2.gz AWFPQTKNDUIHRR-UHFFFAOYSA-N 1 0 178.279 1.862 50 0 ADAARO CC[NH2+]Cc1cccc(OC)c1OC 6385348 167279061 /nfs/dbraw/zinc/27/90/61/167279061.db2.gz GHYNFIZMFFWMNL-UHFFFAOYSA-N 1 0 195.262 1.813 50 0 in-vitro ADAARO CC[NH2+]Cc1cccc2c1OCCO2 36167377 167279075 /nfs/dbraw/zinc/27/90/75/167279075.db2.gz NPJXURZYGXJFEH-UHFFFAOYSA-N 1 0 193.246 1.567 50 0 in-vitro ADAARO CC[NH2+]Cc1cnn(C(C)C)c1 19090263 167279142 /nfs/dbraw/zinc/27/91/42/167279142.db2.gz QTNNIOCDNJUFSM-UHFFFAOYSA-N 1 0 167.256 1.574 50 0 in-vitro ADAARO CC[NH2+][C@@H](C(N)=S)c1cccnc1 60276617 167279978 /nfs/dbraw/zinc/27/99/78/167279978.db2.gz OOEYPHHQJWTXCS-MRVPVSSYSA-N 1 0 195.291 1.018 50 0 in-vitro ADAARO CC[NH2+][C@@H](C)CC 5651402 167280377 /nfs/dbraw/zinc/28/03/77/167280377.db2.gz KFYKZKISJBGVMR-LURJTMIESA-N 1 0 101.193 1.394 50 0 in-vitro ADAARO CC[NH2+][C@@H](C)C1CC1 11599599 167280474 /nfs/dbraw/zinc/28/04/74/167280474.db2.gz KFSCACFJXLWXJY-LURJTMIESA-N 1 0 113.204 1.394 50 0 ADAARO CC[NH2+][C@@H](C)C(C)C 5853299 167281466 /nfs/dbraw/zinc/28/14/66/167281466.db2.gz FQBQBRBAJDVVOH-ZETCQYMHSA-N 1 0 115.220 1.640 50 0 in-vitro ADAARO CCNNC(=[NH2+])c1ccccc1 3212433 167281590 /nfs/dbraw/zinc/28/15/90/167281590.db2.gz SGPFHGJCXRMJGC-UHFFFAOYSA-N 1 0 163.224 1.126 50 0 ADAARO CC[NH2+][C@@H](C)C(=O)c1ccccc1 409372 167281692 /nfs/dbraw/zinc/28/16/92/167281692.db2.gz LYMHIBZGTAPASQ-VIFPVBQESA-N 1 0 177.247 1.867 50 0 in-vitro ADAARO CC[NH2+][C@@H](C)c1ccncc1 19488326 167283144 /nfs/dbraw/zinc/28/31/44/167283144.db2.gz UZIMLPJUCSIQJV-QMMMGPOBSA-N 1 0 150.225 1.752 50 0 in-vitro ADAARO CC[NH2+][C@@H](C)c1cccnc1 19486106 167283300 /nfs/dbraw/zinc/28/33/00/167283300.db2.gz DKNOPKLVHKNERI-QMMMGPOBSA-N 1 0 150.225 1.752 50 0 in-vitro ADAARO CC[NH2+][C@@H](C)[C@@H](O)c1ccccc1 2000765 167283467 /nfs/dbraw/zinc/28/34/67/167283467.db2.gz BLJJUBZZYWYZNR-GXSJLCMTSA-N 1 0 179.263 1.718 50 0 in-vitro ADAARO CC[NH2+][C@@H](C)[C@H](O)c1ccccc1 2000763 167284363 /nfs/dbraw/zinc/28/43/63/167284363.db2.gz BLJJUBZZYWYZNR-ONGXEEELSA-N 1 0 179.263 1.718 50 0 in-vitro ADAARO CC[NH2+][C@@H](Cn1ccnc1)C(C)(C)C 37156762 167286465 /nfs/dbraw/zinc/28/64/65/167286465.db2.gz DYFWERVJCLLPNQ-JTQLQIEISA-N 1 0 195.310 1.907 50 0 in-vitro ADAARO CC[NH2+][C@@H](COC)Cc1ccccc1 49684517 167286564 /nfs/dbraw/zinc/28/65/64/167286564.db2.gz PAIXOQYORTYERQ-GFCCVEGCSA-N 1 0 193.290 1.854 50 0 in-vitro ADAARO CC[NH2+][C@@H](CO)c1ccccc1 20216404 167287953 /nfs/dbraw/zinc/28/79/53/167287953.db2.gz TWZJJFDOOZXNRO-JTQLQIEISA-N 1 0 165.236 1.330 50 0 in-vitro ADAARO CC[NH2+][C@@H]1CCOC(C)(C)C1 19093353 167290173 /nfs/dbraw/zinc/29/01/73/167290173.db2.gz CHHKBQOLWAUFPM-MRVPVSSYSA-N 1 0 157.257 1.554 50 0 in-vitro ADAARO CC[NH2+][C@@H]1CCN(CC(F)(F)F)C1 37241308 167290198 /nfs/dbraw/zinc/29/01/98/167290198.db2.gz RHACBFGTNWWEDJ-SSDOTTSWSA-N 1 0 196.216 1.233 50 0 ADAARO CC[NH2+][C@@H]1COc2ccccc21 35652712 167290729 /nfs/dbraw/zinc/29/07/29/167290729.db2.gz PQYFIRAAYSSNRA-SECBINFHSA-N 1 0 163.220 1.730 50 0 ADAARO CC[NH2+][C@@H]1CCCc2n[nH]cc21 83744376 167291121 /nfs/dbraw/zinc/29/11/21/167291121.db2.gz KNKOJPSXJRNTKQ-MRVPVSSYSA-N 1 0 165.240 1.397 50 0 ADAARO CC[NH2+][C@H](C(N)=S)c1cccnc1 60276616 167294787 /nfs/dbraw/zinc/29/47/87/167294787.db2.gz OOEYPHHQJWTXCS-QMMMGPOBSA-N 1 0 195.291 1.018 50 0 in-vitro ADAARO CC[NH2+][C@H](C)[C@@H](O)c1ccccc1 2000766 167295343 /nfs/dbraw/zinc/29/53/43/167295343.db2.gz BLJJUBZZYWYZNR-MWLCHTKSSA-N 1 0 179.263 1.718 50 0 in-vitro ADAARO CC[NH2+][C@H](C)C1CC1 11599608 167295609 /nfs/dbraw/zinc/29/56/09/167295609.db2.gz KFSCACFJXLWXJY-ZCFIWIBFSA-N 1 0 113.204 1.394 50 0 ADAARO CC[NH2+][C@H](C)CC 5651074 167295966 /nfs/dbraw/zinc/29/59/66/167295966.db2.gz KFYKZKISJBGVMR-ZCFIWIBFSA-N 1 0 101.193 1.394 50 0 in-vitro ADAARO CC[NH2+][C@H](C)C(C)C 2572124 167296178 /nfs/dbraw/zinc/29/61/78/167296178.db2.gz FQBQBRBAJDVVOH-SSDOTTSWSA-N 1 0 115.220 1.640 50 0 in-vitro ADAARO CC[NH2+][C@H](C)C(=O)c1ccccc1 409373 167296975 /nfs/dbraw/zinc/29/69/75/167296975.db2.gz LYMHIBZGTAPASQ-SECBINFHSA-N 1 0 177.247 1.867 50 0 in-vitro ADAARO CC[NH2+][C@H](C)[C@H](O)c1ccccc1 2000764 167297187 /nfs/dbraw/zinc/29/71/87/167297187.db2.gz BLJJUBZZYWYZNR-KOLCDFICSA-N 1 0 179.263 1.718 50 0 in-vitro ADAARO CC[NH2+][C@H](C)c1cccnc1 19486108 167297952 /nfs/dbraw/zinc/29/79/52/167297952.db2.gz DKNOPKLVHKNERI-MRVPVSSYSA-N 1 0 150.225 1.752 50 0 in-vitro ADAARO CC[NH2+][C@H](CO)c1ccccc1 20216405 167298123 /nfs/dbraw/zinc/29/81/23/167298123.db2.gz TWZJJFDOOZXNRO-SNVBAGLBSA-N 1 0 165.236 1.330 50 0 in-vitro ADAARO CC[NH2+][C@H](C)c1ccncc1 19488328 167298264 /nfs/dbraw/zinc/29/82/64/167298264.db2.gz UZIMLPJUCSIQJV-MRVPVSSYSA-N 1 0 150.225 1.752 50 0 in-vitro ADAARO CC[NH2+][C@H](COC)Cc1ccccc1 49684514 167299742 /nfs/dbraw/zinc/29/97/42/167299742.db2.gz PAIXOQYORTYERQ-LBPRGKRZSA-N 1 0 193.290 1.854 50 0 in-vitro ADAARO CC[NH2+][C@H]1CCN(CC(F)(F)F)C1 37241310 167302082 /nfs/dbraw/zinc/30/20/82/167302082.db2.gz RHACBFGTNWWEDJ-ZETCQYMHSA-N 1 0 196.216 1.233 50 0 ADAARO CC[NH2+][C@H](Cn1ccnc1)C(C)(C)C 37156764 167302533 /nfs/dbraw/zinc/30/25/33/167302533.db2.gz DYFWERVJCLLPNQ-SNVBAGLBSA-N 1 0 195.310 1.907 50 0 in-vitro ADAARO CC[NH2+][C@H]1CCCc2n[nH]cc21 83744377 167302598 /nfs/dbraw/zinc/30/25/98/167302598.db2.gz KNKOJPSXJRNTKQ-QMMMGPOBSA-N 1 0 165.240 1.397 50 0 ADAARO CC[NH2+][C@H]1CCOC(C)(C)C1 19093355 167303425 /nfs/dbraw/zinc/30/34/25/167303425.db2.gz CHHKBQOLWAUFPM-QMMMGPOBSA-N 1 0 157.257 1.554 50 0 in-vitro ADAARO CC[NH2+][C@H]1COc2ccccc21 35652713 167303552 /nfs/dbraw/zinc/30/35/52/167303552.db2.gz PQYFIRAAYSSNRA-VIFPVBQESA-N 1 0 163.220 1.730 50 0 ADAARO CCNc1cc(N)cc[nH+]1 43568234 167307959 /nfs/dbraw/zinc/30/79/59/167307959.db2.gz NNXBBUGFOJVAKK-UHFFFAOYSA-N 1 0 137.186 1.096 50 0 in-vitro ADAARO CCNc1cccc(C)[nH+]1 5312189 167309774 /nfs/dbraw/zinc/30/97/74/167309774.db2.gz ZUCJRARGRJUOMC-UHFFFAOYSA-N 1 0 136.198 1.822 50 0 ADAARO CC[NH+]1CCN(C(=O)C=C(C)C)CC1 58308862 167209147 /nfs/dbraw/zinc/20/91/47/167209147.db2.gz QLWSFTWSJBBZOE-UHFFFAOYSA-N 1 0 196.294 1.117 50 0 ADAARO CCNc1nccc([C@@H]2CCC[NH2+]2)n1 72233278 167311528 /nfs/dbraw/zinc/31/15/28/167311528.db2.gz HBGNGAKIXBNUSP-QMMMGPOBSA-N 1 0 192.266 1.333 50 0 ADAARO CCNc1nccc([C@H]2CCC[NH2+]2)n1 72233279 167311682 /nfs/dbraw/zinc/31/16/82/167311682.db2.gz HBGNGAKIXBNUSP-MRVPVSSYSA-N 1 0 192.266 1.333 50 0 ADAARO CCNc1c[nH+]ccc1N 35784042 167312144 /nfs/dbraw/zinc/31/21/44/167312144.db2.gz RUFZKKRVKYJHJM-UHFFFAOYSA-N 1 0 137.186 1.096 50 0 ADAARO CCNc1cc[nH+]cc1 21013528 167312476 /nfs/dbraw/zinc/31/24/76/167312476.db2.gz OTIDWUALRXXVIM-UHFFFAOYSA-N 1 0 122.171 1.513 50 0 in-vitro ADAARO CCNc1cc[nH+]cc1N 19755368 167314248 /nfs/dbraw/zinc/31/42/48/167314248.db2.gz UYUSOHGUWGRCSC-UHFFFAOYSA-N 1 0 137.186 1.096 50 0 in-vitro ADAARO CCNc1[nH+]cc(C)cc1N 36226354 167314892 /nfs/dbraw/zinc/31/48/92/167314892.db2.gz MQXQBHCXJHLLJE-UHFFFAOYSA-N 1 0 151.213 1.404 50 0 ADAARO CCOC(=O)/C=C/c1c[nH+]ccc1N 12359548 167319941 /nfs/dbraw/zinc/31/99/41/167319941.db2.gz LYGPATUMODNSAM-ONEGZZNKSA-N 1 0 192.218 1.240 50 0 ADAARO CCOC(=O)/C=C/[n+]1cccc(C)c1 268326 167320003 /nfs/dbraw/zinc/32/00/03/167320003.db2.gz ILXVSBCPXPDTGM-SOFGYWHQSA-N 1 0 192.238 1.316 50 0 ADAARO CCOC(=O)C1(C[NH3+])CCCC1 53737994 167322742 /nfs/dbraw/zinc/32/27/42/167322742.db2.gz AKUKXMNTGXTIAH-UHFFFAOYSA-N 1 0 171.240 1.069 50 0 in-vitro ADAARO CCOC(=O)C1(CC)CC[NH2+]CC1 42684239 167323040 /nfs/dbraw/zinc/32/30/40/167323040.db2.gz SWRKMDVRFPAIID-UHFFFAOYSA-N 1 0 185.267 1.329 50 0 in-vitro ADAARO CCOC(=O)C1(C(C)C)CC[NH2+]CC1 42684242 167323108 /nfs/dbraw/zinc/32/31/08/167323108.db2.gz CXPSIBDQWUBROI-UHFFFAOYSA-N 1 0 199.294 1.575 50 0 ADAARO CCOC(=O)C(C)(C)C1CC[NH2+]CC1 40442824 167323507 /nfs/dbraw/zinc/32/35/07/167323507.db2.gz SXQUKTMPHDAHMN-UHFFFAOYSA-N 1 0 199.294 1.575 50 0 ADAARO CCOC(=O)C1(C)CCC([NH3+])CC1 115741479 167324266 /nfs/dbraw/zinc/32/42/66/167324266.db2.gz VCCAYWSDFKIZEF-UHFFFAOYSA-N 1 0 185.267 1.457 50 0 ADAARO CCOC(=O)C12CCC([NH3+])(CC1)CC2 59791213 167324285 /nfs/dbraw/zinc/32/42/85/167324285.db2.gz QUVAHJOADQNEIP-UHFFFAOYSA-N 1 0 197.278 1.601 50 0 ADAARO CCOC(=O)C(CC)(CC)C[NH3+] 34404679 167324324 /nfs/dbraw/zinc/32/43/24/167324324.db2.gz RKLOVNYPVLBMAB-UHFFFAOYSA-N 1 0 173.256 1.315 50 0 in-vitro ADAARO CCOC(=O)C12CC[NH+](CC1)CC2 32135163 167324875 /nfs/dbraw/zinc/32/48/75/167324875.db2.gz MMXIVBVOFFBDEB-UHFFFAOYSA-N 1 0 183.251 1.035 50 0 in-vitro ADAARO CCOC(=O)C([NH3+])(CC)CC 1605249 167325059 /nfs/dbraw/zinc/32/50/59/167325059.db2.gz YMIUIXFNNAURHO-UHFFFAOYSA-N 1 0 159.229 1.067 50 0 in-vitro ADAARO CCOC(=O)C1([NH3+])CCCCC1 1700230 167325210 /nfs/dbraw/zinc/32/52/10/167325210.db2.gz KUAFMPWKUNNUEC-UHFFFAOYSA-N 1 0 171.240 1.211 50 0 in-vitro ADAARO CCOC(=O)C1CCC(C[NH3+])CC1 27517858 167325839 /nfs/dbraw/zinc/32/58/39/167325839.db2.gz YKPFISPUYINSAF-UHFFFAOYSA-N 1 0 185.267 1.315 50 0 ADAARO CCOC(=O)C1C[C@@H](C)[NH2+][C@H](C)C1 238250484 167326427 /nfs/dbraw/zinc/32/64/27/167326427.db2.gz NQGXTWZJBZEJNV-HTQZYQBOSA-N 1 0 185.267 1.326 50 0 ADAARO CCOC(=O)C1C[C@H](C)[NH2+][C@@H](C)C1 238250715 167326621 /nfs/dbraw/zinc/32/66/21/167326621.db2.gz NQGXTWZJBZEJNV-YUMQZZPRSA-N 1 0 185.267 1.326 50 0 ADAARO CCOC(=O)C1CC[NH+](CC)CC1 38251499 167326661 /nfs/dbraw/zinc/32/66/61/167326661.db2.gz IYFCAAUQJJZDHW-UHFFFAOYSA-N 1 0 185.267 1.281 50 0 ADAARO CCOC(=O)C1CCC([NH3+])CC1 1622084 167327080 /nfs/dbraw/zinc/32/70/80/167327080.db2.gz WASRJUXSLHUONH-UHFFFAOYSA-N 1 0 171.240 1.067 50 0 ADAARO CCOC(=O)C=C1CC[NH+](C)CC1 1710600 167327255 /nfs/dbraw/zinc/32/72/55/167327255.db2.gz VCFGXLWRLVJHKK-UHFFFAOYSA-N 1 0 183.251 1.202 50 0 in-vitro ADAARO CCOC(=O)CCC[NH2+]C1CC1 59570918 167329135 /nfs/dbraw/zinc/32/91/35/167329135.db2.gz UCNZSFZXVOKJFC-UHFFFAOYSA-N 1 0 171.240 1.082 50 0 ADAARO CCOC(=O)CCCC1CC[NH2+]CC1 16697878 167329458 /nfs/dbraw/zinc/32/94/58/167329458.db2.gz XGABTHFOTUYVMO-UHFFFAOYSA-N 1 0 199.294 1.719 50 0 ADAARO CCOC(=O)CCCCCCC[NH3+] 35075552 167329510 /nfs/dbraw/zinc/32/95/10/167329510.db2.gz SOEKHKUVUYSJOZ-UHFFFAOYSA-N 1 0 187.283 1.849 50 0 in-vitro ADAARO CCOC(=O)CCC1CC[NH2+]CC1 34076105 167329662 /nfs/dbraw/zinc/32/96/62/167329662.db2.gz XHMFMSVBWJZLBF-UHFFFAOYSA-N 1 0 185.267 1.329 50 0 in-vitro ADAARO CCOC(=O)CC1([NH2+]C)CCCCC1 70038092 167329668 /nfs/dbraw/zinc/32/96/68/167329668.db2.gz GDRIBZMVJGXYFU-UHFFFAOYSA-N 1 0 199.294 1.862 50 0 ADAARO CCOC(=O)CC[N@H+](C)C(C)C 35269487 167329735 /nfs/dbraw/zinc/32/97/35/167329735.db2.gz VQJJKSUALOTQTL-UHFFFAOYSA-N 1 0 173.256 1.280 50 0 ADAARO CCOC(=O)CC[NH2+]C1CCCCC1 1683913 167329923 /nfs/dbraw/zinc/32/99/23/167329923.db2.gz OWGDWHGNVVNSRP-UHFFFAOYSA-N 1 0 199.294 1.862 50 0 ADAARO CCOC(=O)CC[NH2+]C(C)(C)C 5325499 167329960 /nfs/dbraw/zinc/32/99/60/167329960.db2.gz MRBYLBKVCAGYBL-UHFFFAOYSA-N 1 0 173.256 1.328 50 0 in-vitro ADAARO CCOC(=O)CC[NH2+][C@H](C)CC 19736852 167330108 /nfs/dbraw/zinc/33/01/08/167330108.db2.gz QYLZGYGTVCVQMC-MRVPVSSYSA-N 1 0 173.256 1.328 50 0 ADAARO CCOC(=O)CC1([NH3+])CCCC1 72210229 167330131 /nfs/dbraw/zinc/33/01/31/167330131.db2.gz FQYGSNXTOJSDAQ-UHFFFAOYSA-N 1 0 171.240 1.211 50 0 in-vitro ADAARO CCOC(=O)CC12CCC[NH+]1CCC2 39650998 167330218 /nfs/dbraw/zinc/33/02/18/167330218.db2.gz VKIVANHGDYINSJ-UHFFFAOYSA-N 1 0 197.278 1.568 50 0 ADAARO CCOC(=O)CCCCCC[NH3+] 20429565 167330258 /nfs/dbraw/zinc/33/02/58/167330258.db2.gz VBPPJUXIEMSWDT-UHFFFAOYSA-N 1 0 173.256 1.459 50 0 in-vitro ADAARO CCOC(=O)CC[NH2+]Cc1ccco1 2559208 167330265 /nfs/dbraw/zinc/33/02/65/167330265.db2.gz CUWYCUOEHDOVAJ-UHFFFAOYSA-N 1 0 197.234 1.322 50 0 in-vitro ADAARO CCOC(=O)CC[NH+]1CCCCC1 119836 167330437 /nfs/dbraw/zinc/33/04/37/167330437.db2.gz MPAWVDTVWPPKJQ-UHFFFAOYSA-N 1 0 185.267 1.426 50 0 ADAARO CCOC(=O)CC1CC[NH+](C)CC1 35570053 167330648 /nfs/dbraw/zinc/33/06/48/167330648.db2.gz ZUFWZYDSNSUYDS-UHFFFAOYSA-N 1 0 185.267 1.281 50 0 in-vitro ADAARO CCOC(=O)CC[NH2+][C@@H](C)CC 19736851 167330816 /nfs/dbraw/zinc/33/08/16/167330816.db2.gz QYLZGYGTVCVQMC-QMMMGPOBSA-N 1 0 173.256 1.328 50 0 ADAARO CCOC(=O)CCCCC[NH3+] 1555365 167330877 /nfs/dbraw/zinc/33/08/77/167330877.db2.gz NJNQDCIAOXIFTB-UHFFFAOYSA-N 1 0 159.229 1.069 50 0 in-vitro ADAARO CCOC(=O)CC[NH2+]C1CCCC1 15443037 167331095 /nfs/dbraw/zinc/33/10/95/167331095.db2.gz PGGWSUSDGRDUFX-UHFFFAOYSA-N 1 0 185.267 1.472 50 0 in-vitro ADAARO CCOC(=O)CC1([NH3+])CCCCC1 5180007 167331124 /nfs/dbraw/zinc/33/11/24/167331124.db2.gz BSOAERDQHDFUHE-UHFFFAOYSA-N 1 0 185.267 1.601 50 0 in-vitro ADAARO CCOC(=O)CC1(C[NH3+])CCCCC1 34574771 167331434 /nfs/dbraw/zinc/33/14/34/167331434.db2.gz PQCNPWAMVMHDID-UHFFFAOYSA-N 1 0 199.294 1.849 50 0 in-vitro ADAARO CCOC(=O)CC[NH+]1CCCC1 1673551 167331441 /nfs/dbraw/zinc/33/14/41/167331441.db2.gz MVPICKVDHDWCJQ-UHFFFAOYSA-N 1 0 171.240 1.035 50 0 in-vitro ADAARO CCOC(=O)CCC(C)(C)[NH3+] 50197387 167331460 /nfs/dbraw/zinc/33/14/60/167331460.db2.gz VWZZLZDDXFFJEC-UHFFFAOYSA-N 1 0 159.229 1.067 50 0 ADAARO CCOC(=O)CC[C@H]1CCCC[NH2+]1 1598847 167331914 /nfs/dbraw/zinc/33/19/14/167331914.db2.gz NKEMSMLPYGYVNJ-SECBINFHSA-N 1 0 185.267 1.472 50 0 in-vitro ADAARO CCOC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 14194612 167332070 /nfs/dbraw/zinc/33/20/70/167332070.db2.gz ULMIOYNFXLYGEU-NXEZZACHSA-N 1 0 199.294 1.527 50 0 ADAARO CCOC(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C 14194253 167332078 /nfs/dbraw/zinc/33/20/78/167332078.db2.gz JYBUIEFDKQAFSU-UWVGGRQHSA-N 1 0 199.294 1.812 50 0 ADAARO CCOC(=O)C[NH+]1[C@H](C)CCC[C@H]1C 14194256 167332245 /nfs/dbraw/zinc/33/22/45/167332245.db2.gz JYBUIEFDKQAFSU-NXEZZACHSA-N 1 0 199.294 1.812 50 0 ADAARO CCOC(=O)C[N@@H+]1CCCC[C@@H]1CC 35605629 167332252 /nfs/dbraw/zinc/33/22/52/167332252.db2.gz MBBPTLVGQAXZQX-JTQLQIEISA-N 1 0 199.294 1.814 50 0 ADAARO CCOC(=O)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 14194614 167332871 /nfs/dbraw/zinc/33/28/71/167332871.db2.gz ULMIOYNFXLYGEU-AOOOYVTPSA-N 1 0 199.294 1.527 50 0 ADAARO CCOC(=O)C[NH+]1CCCCCCC1 20361528 167332991 /nfs/dbraw/zinc/33/29/91/167332991.db2.gz VVTSPTLYTRBYBV-UHFFFAOYSA-N 1 0 199.294 1.816 50 0 ADAARO CCOC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 14194613 167333045 /nfs/dbraw/zinc/33/30/45/167333045.db2.gz ULMIOYNFXLYGEU-UWVGGRQHSA-N 1 0 199.294 1.527 50 0 ADAARO CCOC(=O)CC[C@H]1CCC[NH2+]C1 34928866 167333060 /nfs/dbraw/zinc/33/30/60/167333060.db2.gz DPBSXYRJZFUOIL-SECBINFHSA-N 1 0 185.267 1.329 50 0 in-vitro ADAARO CCOC(=O)CNC1=[NH+]CCCCC1 26506444 167333254 /nfs/dbraw/zinc/33/32/54/167333254.db2.gz CADHSHPFRPLEAO-UHFFFAOYSA-N 1 0 198.266 1.112 50 0 ADAARO CCOC(=O)C[N@@H+]1[C@@H](C)CCC[C@H]1C 14194255 167333530 /nfs/dbraw/zinc/33/35/30/167333530.db2.gz JYBUIEFDKQAFSU-AOOOYVTPSA-N 1 0 199.294 1.812 50 0 ADAARO CCOC(=O)CC[C@@H]1CCCC[NH2+]1 5734835 167333604 /nfs/dbraw/zinc/33/36/04/167333604.db2.gz NKEMSMLPYGYVNJ-VIFPVBQESA-N 1 0 185.267 1.472 50 0 in-vitro ADAARO CCOC(=O)CC[C@@H]1CCC[NH2+]C1 34928864 167333741 /nfs/dbraw/zinc/33/37/41/167333741.db2.gz DPBSXYRJZFUOIL-VIFPVBQESA-N 1 0 185.267 1.329 50 0 in-vitro ADAARO CCOC(=O)C[NH+](C(C)C)C(C)C 39369352 167333980 /nfs/dbraw/zinc/33/39/80/167333980.db2.gz KPRODKQFPFNXKQ-UHFFFAOYSA-N 1 0 187.283 1.668 50 0 ADAARO CCOC(=O)C[NH+]1CCCCCC1 14194708 167334119 /nfs/dbraw/zinc/33/41/19/167334119.db2.gz ROESXCPJJVXAQV-UHFFFAOYSA-N 1 0 185.267 1.426 50 0 in-vitro ADAARO CCOC(=O)C[N@@H+]1CCCC[C@H]1CC 35605625 167334452 /nfs/dbraw/zinc/33/44/52/167334452.db2.gz MBBPTLVGQAXZQX-SNVBAGLBSA-N 1 0 199.294 1.814 50 0 ADAARO CCOC(=O)C[C@H]([NH3+])C(C)(C)C 34499608 167336592 /nfs/dbraw/zinc/33/65/92/167336592.db2.gz CQMQDGBSOJPPBZ-ZETCQYMHSA-N 1 0 173.256 1.313 50 0 ADAARO CCOC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 78210690 167336676 /nfs/dbraw/zinc/33/66/76/167336676.db2.gz ZAUIGKXNVYGUTL-VHSXEESVSA-N 1 0 199.294 1.575 50 0 ADAARO CCOC(=O)C[C@H](C)[N@H+](C)CC 34925153 167336823 /nfs/dbraw/zinc/33/68/23/167336823.db2.gz HUBXCNHHVREQJA-QMMMGPOBSA-N 1 0 173.256 1.280 50 0 ADAARO CCOC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 78210692 167336897 /nfs/dbraw/zinc/33/68/97/167336897.db2.gz ZAUIGKXNVYGUTL-UWVGGRQHSA-N 1 0 199.294 1.575 50 0 ADAARO CCOC(=O)C[C@](C)([NH3+])C(C)C 86851971 167336942 /nfs/dbraw/zinc/33/69/42/167336942.db2.gz XTWFQHYGHRSJSA-VIFPVBQESA-N 1 0 173.256 1.313 50 0 in-vitro ADAARO CCOC(=O)C[C@@H]1CC[NH2+]C[C@@H]1C 34517219 167337294 /nfs/dbraw/zinc/33/72/94/167337294.db2.gz PUEZACXRXDUMTB-IUCAKERBSA-N 1 0 185.267 1.185 50 0 in-vitro ADAARO CCOC(=O)C[C@@H]1CC[NH2+][C@H](C)C1 73657616 167337344 /nfs/dbraw/zinc/33/73/44/167337344.db2.gz TUNOZOLGUBFDSM-RKDXNWHRSA-N 1 0 185.267 1.328 50 0 ADAARO CCOC(=O)C[C@@H]1CC[NH2+][C@@H](C)C1 73657621 167337349 /nfs/dbraw/zinc/33/73/49/167337349.db2.gz TUNOZOLGUBFDSM-DTWKUNHWSA-N 1 0 185.267 1.328 50 0 ADAARO CCOC(=O)C[C@H]1CCCC[NH2+]1 1598844 167337377 /nfs/dbraw/zinc/33/73/77/167337377.db2.gz SEJLPOWVAACXJQ-MRVPVSSYSA-N 1 0 171.240 1.082 50 0 in-vitro ADAARO CCOC(=O)C[C@H]1CC[C@H]([NH3+])CC1 242649364 167337395 /nfs/dbraw/zinc/33/73/95/167337395.db2.gz SBVCDGKSVSHGFL-KYZUINATSA-N 1 0 185.267 1.457 50 0 ADAARO CCOC(=O)C[C@@H]1CC[NH2+]C[C@H]1C 34517221 167337462 /nfs/dbraw/zinc/33/74/62/167337462.db2.gz PUEZACXRXDUMTB-BDAKNGLRSA-N 1 0 185.267 1.185 50 0 in-vitro ADAARO CCOC(=O)C[C@H]([NH3+])c1cccs1 5180015 167337563 /nfs/dbraw/zinc/33/75/63/167337563.db2.gz XYBONARLWNRZCA-ZETCQYMHSA-N 1 0 199.275 1.701 50 0 in-vitro ADAARO CCOC(=O)C[C@H]([NH3+])c1ccncc1 20577675 167337632 /nfs/dbraw/zinc/33/76/32/167337632.db2.gz SXUSVQSWWDQQHB-VIFPVBQESA-N 1 0 194.234 1.035 50 0 in-vitro ADAARO CCOC(=O)C[C@H]([NH3+])CC(C)C 19089750 167337658 /nfs/dbraw/zinc/33/76/58/167337658.db2.gz KYJZDENXIPFFJX-MRVPVSSYSA-N 1 0 173.256 1.313 50 0 in-vitro ADAARO CCOC(=O)C[C@H]([NH3+])c1cccnc1 5928308 167337721 /nfs/dbraw/zinc/33/77/21/167337721.db2.gz SUOOQSWLTJJSDK-VIFPVBQESA-N 1 0 194.234 1.035 50 0 in-vitro ADAARO CCOC(=O)C[C@H]([NH3+])c1ccccc1 4243138 167337753 /nfs/dbraw/zinc/33/77/53/167337753.db2.gz NUWRDXMXYDWUAN-JTQLQIEISA-N 1 0 193.246 1.640 50 0 in-vitro ADAARO CCOC(=O)C[C@H]1CC[NH2+][C@H](C)C1 73657618 167337854 /nfs/dbraw/zinc/33/78/54/167337854.db2.gz TUNOZOLGUBFDSM-BDAKNGLRSA-N 1 0 185.267 1.328 50 0 ADAARO CCOC(=O)C[C@H]1CC[NH2+][C@@H](C)C1 73657622 167337857 /nfs/dbraw/zinc/33/78/57/167337857.db2.gz TUNOZOLGUBFDSM-IUCAKERBSA-N 1 0 185.267 1.328 50 0 ADAARO CCOC(=O)C[C@@](C)([NH3+])CC 17673510 167337867 /nfs/dbraw/zinc/33/78/67/167337867.db2.gz OXIMBNNQIXGPIY-QMMMGPOBSA-N 1 0 159.229 1.067 50 0 ADAARO CCOC(=O)C[C@@](C)([NH3+])C(C)C 86851973 167337906 /nfs/dbraw/zinc/33/79/06/167337906.db2.gz XTWFQHYGHRSJSA-SECBINFHSA-N 1 0 173.256 1.313 50 0 in-vitro ADAARO CCOC(=O)C[C@H]1CC[NH2+]C[C@@H]1C 34517220 167337936 /nfs/dbraw/zinc/33/79/36/167337936.db2.gz PUEZACXRXDUMTB-DTWKUNHWSA-N 1 0 185.267 1.185 50 0 in-vitro ADAARO CCOC(=O)C[C@H]1CC[C@H]([NH3+])CC1 100049177 167337953 /nfs/dbraw/zinc/33/79/53/167337953.db2.gz SBVCDGKSVSHGFL-DTORHVGOSA-N 1 0 185.267 1.457 50 0 ADAARO CCOC(=O)C[C@](C)([NH3+])CC 17673511 167337973 /nfs/dbraw/zinc/33/79/73/167337973.db2.gz OXIMBNNQIXGPIY-MRVPVSSYSA-N 1 0 159.229 1.067 50 0 ADAARO CCOC(=O)C[C@H]1CC[NH2+]C[C@H]1C 34517222 167337998 /nfs/dbraw/zinc/33/79/98/167337998.db2.gz PUEZACXRXDUMTB-RKDXNWHRSA-N 1 0 185.267 1.185 50 0 in-vitro ADAARO CCOC(=O)NC1CCC([NH3+])CC1 36880918 167342711 /nfs/dbraw/zinc/34/27/11/167342711.db2.gz PVKQEBBQETXXLU-UHFFFAOYSA-N 1 0 186.255 1.002 50 0 in-vitro ADAARO CCOC(=O)[C@@H](C)C1CC[NH2+]CC1 118447318 167343876 /nfs/dbraw/zinc/34/38/76/167343876.db2.gz KBQUFOYZOQRUEW-QMMMGPOBSA-N 1 0 185.267 1.185 50 0 ADAARO CCOC(=O)OCCC[NH+](C)C 1655647 167345897 /nfs/dbraw/zinc/34/58/97/167345897.db2.gz RBXXRUOLMPHZJB-UHFFFAOYSA-N 1 0 175.228 1.111 50 0 ADAARO CCOC(=O)N[C@@H](C[NH3+])CC(C)C 32627170 167345982 /nfs/dbraw/zinc/34/59/82/167345982.db2.gz DMIHYDRZOKDMEP-MRVPVSSYSA-N 1 0 188.271 1.106 50 0 in-vitro ADAARO CCOC(=O)N[C@H](C[NH3+])CC(C)C 32627172 167346262 /nfs/dbraw/zinc/34/62/62/167346262.db2.gz DMIHYDRZOKDMEP-QMMMGPOBSA-N 1 0 188.271 1.106 50 0 in-vitro ADAARO CCOC(=O)[C@@H](C[NH3+])CC(C)C 51690139 167346675 /nfs/dbraw/zinc/34/66/75/167346675.db2.gz UMVDNWOVACQNFP-MRVPVSSYSA-N 1 0 173.256 1.171 50 0 in-vitro ADAARO CCOC(=O)[C@@H](C[NH3+])c1ccccc1 383044 167346703 /nfs/dbraw/zinc/34/67/03/167346703.db2.gz UCMZOSVQTOVXAB-JTQLQIEISA-N 1 0 193.246 1.292 50 0 in-vitro ADAARO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 166026437 167347069 /nfs/dbraw/zinc/34/70/69/167347069.db2.gz GKPBXOVUKKLFKG-NXEZZACHSA-N 1 0 199.294 1.670 50 0 ADAARO CCOC(=O)[C@@H](C)[NH+]1CCC(C)CC1 8729497 167347500 /nfs/dbraw/zinc/34/75/00/167347500.db2.gz KLCRJRFJKBAQME-SNVBAGLBSA-N 1 0 199.294 1.670 50 0 ADAARO CCOC(=O)[C@@H]([NH3+])C1CCCCC1 37991915 167347683 /nfs/dbraw/zinc/34/76/83/167347683.db2.gz MECSTPOSJXZECH-VIFPVBQESA-N 1 0 185.267 1.457 50 0 ADAARO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 34925139 167348599 /nfs/dbraw/zinc/34/85/99/167348599.db2.gz GKPBXOVUKKLFKG-VHSXEESVSA-N 1 0 199.294 1.670 50 0 ADAARO CCOC(=O)[C@@H](C)[NH+]1CCCCCC1 6403278 167348736 /nfs/dbraw/zinc/34/87/36/167348736.db2.gz ITTOPIJVHLMAJK-SNVBAGLBSA-N 1 0 199.294 1.814 50 0 ADAARO CCOC(=O)[C@@H](C[NH3+])C1CCCC1 95930087 167349130 /nfs/dbraw/zinc/34/91/30/167349130.db2.gz SDUJLUCJCLNJJW-VIFPVBQESA-N 1 0 185.267 1.315 50 0 ADAARO CCOC(=O)[C@@H](C)[NH+]1CCCC1 34925164 167349544 /nfs/dbraw/zinc/34/95/44/167349544.db2.gz MHGPWEICKXUJLS-MRVPVSSYSA-N 1 0 171.240 1.034 50 0 ADAARO CCOC(=O)[C@@H]1CCC[N@H+](CC)C1 34184530 167350502 /nfs/dbraw/zinc/35/05/02/167350502.db2.gz OEYYMGKUKZHLBG-SECBINFHSA-N 1 0 185.267 1.281 50 0 ADAARO CCOC(=O)[C@@H]1CCC[N@@H+]1CC 44075917 167350632 /nfs/dbraw/zinc/35/06/32/167350632.db2.gz CUDOPASYFARLIF-QMMMGPOBSA-N 1 0 171.240 1.034 50 0 in-vitro ADAARO CCOC(=O)[C@@H]1CCC[C@H]([NH3+])C1 1668088 167350706 /nfs/dbraw/zinc/35/07/06/167350706.db2.gz VALZPPHHDRBGHU-SFYZADRCSA-N 1 0 171.240 1.067 50 0 in-vitro ADAARO CCOC(=O)[C@@H]1CCCC[C@H]1[NH3+] 332581 167351054 /nfs/dbraw/zinc/35/10/54/167351054.db2.gz VODUKXHGDCJEOZ-HTQZYQBOSA-N 1 0 171.240 1.067 50 0 ADAARO CCOC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 34184533 167351180 /nfs/dbraw/zinc/35/11/80/167351180.db2.gz ILEWGMFFMZYVCG-SNVBAGLBSA-N 1 0 199.294 1.670 50 0 ADAARO CCOC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 4945810 167351256 /nfs/dbraw/zinc/35/12/56/167351256.db2.gz VALZPPHHDRBGHU-HTQZYQBOSA-N 1 0 171.240 1.067 50 0 in-vitro ADAARO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH3+] 332584 167352378 /nfs/dbraw/zinc/35/23/78/167352378.db2.gz VODUKXHGDCJEOZ-SFYZADRCSA-N 1 0 171.240 1.067 50 0 in-vitro ADAARO CCOC(=O)[C@@H]1CC[C@H](C)[NH2+][C@@H]1C 238795987 167353098 /nfs/dbraw/zinc/35/30/98/167353098.db2.gz BABYKDBDMCQTLY-DJLDLDEBSA-N 1 0 185.267 1.326 50 0 ADAARO CCOC(=O)[C@H]1CC[C@H]([NH3+])CC1 100025967 167354686 /nfs/dbraw/zinc/35/46/86/167354686.db2.gz WASRJUXSLHUONH-OCAPTIKFSA-N 1 0 171.240 1.067 50 0 in-vitro ADAARO CCOC(=O)[C@H]1CC[C@H](C[NH3+])CC1 242723269 167354948 /nfs/dbraw/zinc/35/49/48/167354948.db2.gz YKPFISPUYINSAF-KYZUINATSA-N 1 0 185.267 1.315 50 0 ADAARO CCOC(=O)[C@@H]1CC[C@H](C)[C@@H]([NH2+]C)C1 215965479 167355008 /nfs/dbraw/zinc/35/50/08/167355008.db2.gz NBOQWVLNNYXZDZ-AEJSXWLSSA-N 1 0 199.294 1.574 50 0 ADAARO CCOC(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C)C1 215965386 167355126 /nfs/dbraw/zinc/35/51/26/167355126.db2.gz NBOQWVLNNYXZDZ-BBBLOLIVSA-N 1 0 199.294 1.574 50 0 ADAARO CCOC(=O)[C@H]1CC[C@@H]([NH3+])CC1 100025388 167355147 /nfs/dbraw/zinc/35/51/47/167355147.db2.gz WASRJUXSLHUONH-ZKCHVHJHSA-N 1 0 171.240 1.067 50 0 ADAARO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH3+] 1590826 167355691 /nfs/dbraw/zinc/35/56/91/167355691.db2.gz KWNRJTCVDJSFTE-CBAPKCEASA-N 1 0 171.240 1.067 50 0 ADAARO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH3+] 1590824 167355815 /nfs/dbraw/zinc/35/58/15/167355815.db2.gz KWNRJTCVDJSFTE-APPZFPTMSA-N 1 0 171.240 1.067 50 0 ADAARO CCOC(=O)[C@H](C)[NH+]1CCCCCC1 1593272 167355974 /nfs/dbraw/zinc/35/59/74/167355974.db2.gz ITTOPIJVHLMAJK-JTQLQIEISA-N 1 0 199.294 1.814 50 0 ADAARO CCOC(=O)[C@H](C)[NH+]1CCC(C)CC1 8729498 167356132 /nfs/dbraw/zinc/35/61/32/167356132.db2.gz KLCRJRFJKBAQME-JTQLQIEISA-N 1 0 199.294 1.670 50 0 ADAARO CCOC(=O)[C@@]1(C(C)C)CC[NH2+]C1 98095523 167356235 /nfs/dbraw/zinc/35/62/35/167356235.db2.gz IKMRYBGLRUERCT-JTQLQIEISA-N 1 0 185.267 1.185 50 0 in-vitro ADAARO CCOC(=O)[C@H](C)[NH+]1CCCC1 34925165 167356680 /nfs/dbraw/zinc/35/66/80/167356680.db2.gz MHGPWEICKXUJLS-QMMMGPOBSA-N 1 0 171.240 1.034 50 0 ADAARO CCOC(=O)[C@@]1(C)CCCC[NH2+]C1 247721598 167356707 /nfs/dbraw/zinc/35/67/07/167356707.db2.gz BABZDUHGPRGAFQ-JTQLQIEISA-N 1 0 185.267 1.329 50 0 ADAARO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 166026552 167356877 /nfs/dbraw/zinc/35/68/77/167356877.db2.gz GKPBXOVUKKLFKG-ZJUUUORDSA-N 1 0 199.294 1.670 50 0 ADAARO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 34925140 167357312 /nfs/dbraw/zinc/35/73/12/167357312.db2.gz GKPBXOVUKKLFKG-UWVGGRQHSA-N 1 0 199.294 1.670 50 0 ADAARO CCOC(=O)[C@H](C)C1CC[NH2+]CC1 118447321 167357700 /nfs/dbraw/zinc/35/77/00/167357700.db2.gz KBQUFOYZOQRUEW-MRVPVSSYSA-N 1 0 185.267 1.185 50 0 ADAARO CCOC(=O)[C@@]1(CC)CCC[NH2+]C1 62870797 167357780 /nfs/dbraw/zinc/35/77/80/167357780.db2.gz KUGKXJWUQADYCV-JTQLQIEISA-N 1 0 185.267 1.329 50 0 ADAARO CCOC(=O)[C@H](C[NH3+])CC(C)C 51690138 167358038 /nfs/dbraw/zinc/35/80/38/167358038.db2.gz UMVDNWOVACQNFP-QMMMGPOBSA-N 1 0 173.256 1.171 50 0 in-vitro ADAARO CCOC(=O)[C@H]([NH3+])C1CCCCC1 37991914 167359222 /nfs/dbraw/zinc/35/92/22/167359222.db2.gz MECSTPOSJXZECH-SECBINFHSA-N 1 0 185.267 1.457 50 0 ADAARO CCOC(=O)[C@H](C[NH3+])c1ccccc1 383045 167359660 /nfs/dbraw/zinc/35/96/60/167359660.db2.gz UCMZOSVQTOVXAB-SNVBAGLBSA-N 1 0 193.246 1.292 50 0 in-vitro ADAARO CCOC(=O)[C@H](C[NH3+])C1CCCC1 95930088 167359893 /nfs/dbraw/zinc/35/98/93/167359893.db2.gz SDUJLUCJCLNJJW-SECBINFHSA-N 1 0 185.267 1.315 50 0 ADAARO CCOC(=O)[C@H]1CCC[N@@H+]1CC 38804074 167360590 /nfs/dbraw/zinc/36/05/90/167360590.db2.gz CUDOPASYFARLIF-MRVPVSSYSA-N 1 0 171.240 1.034 50 0 in-vitro ADAARO CCOC(=O)[C@H]1CCC[C@H]([NH3+])C1 1668087 167360598 /nfs/dbraw/zinc/36/05/98/167360598.db2.gz VALZPPHHDRBGHU-YUMQZZPRSA-N 1 0 171.240 1.067 50 0 in-vitro ADAARO CCOC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 34184534 167360680 /nfs/dbraw/zinc/36/06/80/167360680.db2.gz ILEWGMFFMZYVCG-JTQLQIEISA-N 1 0 199.294 1.670 50 0 ADAARO CCOC(=O)[C@H]1CCC[C@@H]([NH3+])C1 1668085 167360811 /nfs/dbraw/zinc/36/08/11/167360811.db2.gz VALZPPHHDRBGHU-JGVFFNPUSA-N 1 0 171.240 1.067 50 0 in-vitro ADAARO CCOC(=O)[C@H]1CCCC[C@H]1[NH3+] 332579 167360965 /nfs/dbraw/zinc/36/09/65/167360965.db2.gz VODUKXHGDCJEOZ-JGVFFNPUSA-N 1 0 171.240 1.067 50 0 ADAARO CCOC(=O)[C@H]1CCC[N@H+](CC)C1 34184529 167361561 /nfs/dbraw/zinc/36/15/61/167361561.db2.gz OEYYMGKUKZHLBG-VIFPVBQESA-N 1 0 185.267 1.281 50 0 ADAARO CCOC(=O)[C@H]1CCCC[C@@H]1[NH3+] 332583 167361916 /nfs/dbraw/zinc/36/19/16/167361916.db2.gz VODUKXHGDCJEOZ-YUMQZZPRSA-N 1 0 171.240 1.067 50 0 ADAARO CCOC(=O)[C@H]1C[C@H](C)[NH2+][C@H](C)C1 299805427 167364673 /nfs/dbraw/zinc/36/46/73/167364673.db2.gz NQGXTWZJBZEJNV-AYMMMOKOSA-N 1 0 185.267 1.326 50 0 ADAARO CCOC(=O)[C@]1(C(C)C)CC[NH2+]C1 98095522 167365412 /nfs/dbraw/zinc/36/54/12/167365412.db2.gz IKMRYBGLRUERCT-SNVBAGLBSA-N 1 0 185.267 1.185 50 0 in-vitro ADAARO CCOC(=O)[C@]1(CC)CCC[NH2+]C1 62870798 167365626 /nfs/dbraw/zinc/36/56/26/167365626.db2.gz KUGKXJWUQADYCV-SNVBAGLBSA-N 1 0 185.267 1.329 50 0 ADAARO CCOC(=O)[C@]1(C)CCCC[NH2+]C1 247721600 167365820 /nfs/dbraw/zinc/36/58/20/167365820.db2.gz BABZDUHGPRGAFQ-SNVBAGLBSA-N 1 0 185.267 1.329 50 0 ADAARO CCOC(=O)[C@]1(C)CCC[C@H]1[NH3+] 1590825 167366489 /nfs/dbraw/zinc/36/64/89/167366489.db2.gz KWNRJTCVDJSFTE-VXNVDRBHSA-N 1 0 171.240 1.067 50 0 ADAARO CCOC(=O)c1c(C)oc(C)c1C[NH3+] 4342587 167366868 /nfs/dbraw/zinc/36/68/68/167366868.db2.gz XHYYUBFCPNTODV-UHFFFAOYSA-N 1 0 197.234 1.532 50 0 in-vitro ADAARO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH3+] 1590827 167367289 /nfs/dbraw/zinc/36/72/89/167367289.db2.gz KWNRJTCVDJSFTE-IONNQARKSA-N 1 0 171.240 1.067 50 0 ADAARO CCOC(=O)c1cc[n+](C(C)C)cc1 401184 167368640 /nfs/dbraw/zinc/36/86/40/167368640.db2.gz HRIYVUQRCXGOKP-UHFFFAOYSA-N 1 0 194.254 1.732 50 0 ADAARO CCOC(=O)c1cc(C[NH3+])c(C)o1 376441 167369571 /nfs/dbraw/zinc/36/95/71/167369571.db2.gz SGGJBKHPJFZEQX-UHFFFAOYSA-N 1 0 183.207 1.223 50 0 ADAARO CCOC(=O)c1cccc(CC[NH3+])c1 39340749 167370793 /nfs/dbraw/zinc/37/07/93/167370793.db2.gz FEUSXEHUNBRXCB-UHFFFAOYSA-N 1 0 193.246 1.365 50 0 ADAARO CCOC(=O)c1cccc(C[NH3+])c1 19722430 167371110 /nfs/dbraw/zinc/37/11/10/167371110.db2.gz WPYSCFXZWYNPBV-UHFFFAOYSA-N 1 0 179.219 1.322 50 0 in-vitro ADAARO CCOC(=O)c1ccc(C[NH3+])cc1 40134 167371367 /nfs/dbraw/zinc/37/13/67/167371367.db2.gz WCTQEHGXBKFLKG-UHFFFAOYSA-N 1 0 179.219 1.322 50 0 in-vitro ADAARO CCOC(=O)c1ccn2c[nH+]cc2c1 72206876 167371585 /nfs/dbraw/zinc/37/15/85/167371585.db2.gz GGSSPIUIIVDMAE-UHFFFAOYSA-N 1 0 190.202 1.511 50 0 ADAARO CCOC(=O)c1ccc([C@H](C)[NH3+])cc1 19722318 167371685 /nfs/dbraw/zinc/37/16/85/167371685.db2.gz FQWWOESDLILZDD-QMMMGPOBSA-N 1 0 193.246 1.883 50 0 in-vitro ADAARO CCOC(=O)c1cccc2c[nH+]cn12 39255884 167371708 /nfs/dbraw/zinc/37/17/08/167371708.db2.gz ZHDWLOWRAYJJMT-UHFFFAOYSA-N 1 0 190.202 1.511 50 0 ADAARO CCOC(=O)c1ccc([C@@H](C)[NH3+])cc1 19722316 167371964 /nfs/dbraw/zinc/37/19/64/167371964.db2.gz FQWWOESDLILZDD-MRVPVSSYSA-N 1 0 193.246 1.883 50 0 in-vitro ADAARO CCOC(=O)c1cccc2c1C[NH2+]C2 66055073 167372584 /nfs/dbraw/zinc/37/25/84/167372584.db2.gz KUGFBSVSLMWHPZ-UHFFFAOYSA-N 1 0 191.230 1.467 50 0 in-vitro ADAARO CCOC(=O)c1ccc(C[NH+](C)C)o1 34116099 167372620 /nfs/dbraw/zinc/37/26/20/167372620.db2.gz AHGBNXOMXWDBAD-UHFFFAOYSA-N 1 0 197.234 1.518 50 0 ADAARO CCOC(=O)c1ccc2c(c1)C[NH2+]C2 44138532 167372685 /nfs/dbraw/zinc/37/26/85/167372685.db2.gz ONPFYAZYJKDTAQ-UHFFFAOYSA-N 1 0 191.230 1.467 50 0 in-vitro ADAARO CCOC(C)=[NH2+] 100003940 167378853 /nfs/dbraw/zinc/37/88/53/167378853.db2.gz JMIAPORGEDIDLT-UHFFFAOYSA-N 1 0 87.122 1.020 50 0 in-vitro,metabolite ADAARO CCOC(OCC)[C@@H]([NH3+])CC 83824683 167379251 /nfs/dbraw/zinc/37/92/51/167379251.db2.gz NMFZTJOPTRNMGL-ZETCQYMHSA-N 1 0 161.245 1.123 50 0 in-vitro ADAARO CCOC(C[NH+](CC)CC)OCC 1691030 167379325 /nfs/dbraw/zinc/37/93/25/167379325.db2.gz HNFUIXOBWCFVAJ-UHFFFAOYSA-N 1 0 189.299 1.727 50 0 in-vitro ADAARO CCOC1(OCC)CC[NH2+]CC1 34412147 167379447 /nfs/dbraw/zinc/37/94/47/167379447.db2.gz WADUXZSSTOYQLD-UHFFFAOYSA-N 1 0 173.256 1.139 50 0 ADAARO CCOC1(C[NH3+])CCCC1 50481983 167379642 /nfs/dbraw/zinc/37/96/42/167379642.db2.gz XQNFROLEGFGDFT-UHFFFAOYSA-N 1 0 143.230 1.294 50 0 in-vitro ADAARO CCOC(CC[NH+](C)C)OCC 72266344 167380216 /nfs/dbraw/zinc/38/02/16/167380216.db2.gz YNVCGLCZEGMEOS-UHFFFAOYSA-N 1 0 175.272 1.337 50 0 in-vitro ADAARO CCOC(OCC)[C@H]([NH3+])CC 38265579 167380235 /nfs/dbraw/zinc/38/02/35/167380235.db2.gz NMFZTJOPTRNMGL-SSDOTTSWSA-N 1 0 161.245 1.123 50 0 in-vitro ADAARO CCOC1CC(CC[NH3+])C1 96300644 167380287 /nfs/dbraw/zinc/38/02/87/167380287.db2.gz QJVBYERUKBGKGL-UHFFFAOYSA-N 1 0 143.230 1.150 50 0 in-vitro ADAARO CCOC(CCC[NH+](C)C)OCC 2567269 167380769 /nfs/dbraw/zinc/38/07/69/167380769.db2.gz QKXMWBLNSPNBEY-UHFFFAOYSA-N 1 0 189.299 1.727 50 0 in-vitro ADAARO CCOC(CCC[NH3+])OCC 1676358 167380877 /nfs/dbraw/zinc/38/08/77/167380877.db2.gz GFLPSABXBDCMCN-UHFFFAOYSA-N 1 0 161.245 1.124 50 0 in-vitro ADAARO CCOC(C[NH+]1CCCC1)OCC 393797 167381066 /nfs/dbraw/zinc/38/10/66/167381066.db2.gz PYFLZPWAPYSHHP-UHFFFAOYSA-N 1 0 187.283 1.481 50 0 in-vitro ADAARO CCOC1(C)CC[NH2+]CC1 85400376 167381092 /nfs/dbraw/zinc/38/10/92/167381092.db2.gz MMYISEKIIWSERK-UHFFFAOYSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO CCOC(C[NH2+]C(C)C)OCC 2539956 167381224 /nfs/dbraw/zinc/38/12/24/167381224.db2.gz XOWDBJSISGDDDF-UHFFFAOYSA-N 1 0 175.272 1.384 50 0 in-vitro ADAARO CCOC1C[C@@H]2CC[C@H](C1)[NH2+]2 238256228 167382215 /nfs/dbraw/zinc/38/22/15/167382215.db2.gz NTPOQVVCLCXFAR-JVHMLUBASA-N 1 0 155.241 1.306 50 0 in-vitro ADAARO CCOC1CCC([NH3+])CC1 4748481 167382867 /nfs/dbraw/zinc/38/28/67/167382867.db2.gz VVDXEUDRHRVHKG-UHFFFAOYSA-N 1 0 143.230 1.293 50 0 ADAARO CCOCC(C)(C)C[NH3+] 86596301 167382870 /nfs/dbraw/zinc/38/28/70/167382870.db2.gz BDPZFHDRQQAQAH-UHFFFAOYSA-N 1 0 131.219 1.008 50 0 in-vitro ADAARO CCOCCC[NH2+]Cc1cccn1C 2178151 167384427 /nfs/dbraw/zinc/38/44/27/167384427.db2.gz BLNJEJHRBYKRKG-UHFFFAOYSA-N 1 0 196.294 1.541 50 0 ADAARO CCOCCC1([NH3+])CCCC1 53752921 167384736 /nfs/dbraw/zinc/38/47/36/167384736.db2.gz WCPJPQNSPLKJOP-UHFFFAOYSA-N 1 0 157.257 1.685 50 0 in-vitro ADAARO CCOCCC[NH2+]Cc1ccco1 7519404 167385105 /nfs/dbraw/zinc/38/51/05/167385105.db2.gz LXVXJJBDGXLPDY-UHFFFAOYSA-N 1 0 183.251 1.796 50 0 ADAARO CCOCCC1(C[NH3+])CCCC1 54635670 167385607 /nfs/dbraw/zinc/38/56/07/167385607.db2.gz ROBOTMSCERGPLX-UHFFFAOYSA-N 1 0 171.284 1.932 50 0 in-vitro ADAARO CCOCCC1(C[NH3+])CCC1 78210788 167385821 /nfs/dbraw/zinc/38/58/21/167385821.db2.gz AUXMJHJWQFKJDJ-UHFFFAOYSA-N 1 0 157.257 1.542 50 0 in-vitro ADAARO CCOCCC1(C[NH3+])CC1 82164564 167386309 /nfs/dbraw/zinc/38/63/09/167386309.db2.gz XKUBJBFEFYEFTP-UHFFFAOYSA-N 1 0 143.230 1.152 50 0 in-vitro ADAARO CCOCCC1CC[NH2+]CC1 14632383 167386816 /nfs/dbraw/zinc/38/68/16/167386816.db2.gz XTZFPHJRUHZJJK-UHFFFAOYSA-N 1 0 157.257 1.413 50 0 in-vitro ADAARO CCOCC1CC[NH2+]CC1 12138174 167386972 /nfs/dbraw/zinc/38/69/72/167386972.db2.gz GXKNDCQREJHGRQ-UHFFFAOYSA-N 1 0 143.230 1.023 50 0 in-vitro ADAARO CCOCC1(C[NH3+])CCC1 19091833 167386981 /nfs/dbraw/zinc/38/69/81/167386981.db2.gz KOZYXAZYCPPPGI-UHFFFAOYSA-N 1 0 143.230 1.152 50 0 ADAARO CCOCC[NH2+]Cc1ccccc1F 35098289 167387579 /nfs/dbraw/zinc/38/75/79/167387579.db2.gz CVZQZNSRCJXONK-UHFFFAOYSA-N 1 0 197.253 1.952 50 0 ADAARO CCOCC[NH2+]Cc1cccc(F)c1 35358949 167387713 /nfs/dbraw/zinc/38/77/13/167387713.db2.gz JNSUEXPVOMSZBK-UHFFFAOYSA-N 1 0 197.253 1.952 50 0 ADAARO CCOCC[NH2+]Cc1ccccc1 5858949 167388631 /nfs/dbraw/zinc/38/86/31/167388631.db2.gz DTXJHAMRAXFCTQ-UHFFFAOYSA-N 1 0 179.263 1.813 50 0 ADAARO CCOCC[NH2+]Cc1ccco1 35098180 167388811 /nfs/dbraw/zinc/38/88/11/167388811.db2.gz MWNRUKDNZLUVQK-UHFFFAOYSA-N 1 0 169.224 1.406 50 0 ADAARO CCOCC[NH2+]Cc1ccc(C)o1 36228696 167389060 /nfs/dbraw/zinc/38/90/60/167389060.db2.gz KYAWUPNAWBIGIA-UHFFFAOYSA-N 1 0 183.251 1.714 50 0 ADAARO CCOCC[N@H+](CC)CC(C)(C)O 72270471 167389722 /nfs/dbraw/zinc/38/97/22/167389722.db2.gz ACLHNNBSPOVZAY-UHFFFAOYSA-N 1 0 189.299 1.116 50 0 ADAARO CCOCC[NH2+]CCc1ccccc1 35098188 167389925 /nfs/dbraw/zinc/38/99/25/167389925.db2.gz JPOAXKRYZVVVJX-UHFFFAOYSA-N 1 0 193.290 1.855 50 0 ADAARO CCOCC[NH2+]Cc1cccs1 35098284 167389964 /nfs/dbraw/zinc/38/99/64/167389964.db2.gz VAVRBUGSXCXBPO-UHFFFAOYSA-N 1 0 185.292 1.874 50 0 ADAARO CCOCC[NH2+]Cc1cccc(O)c1 36228864 167390079 /nfs/dbraw/zinc/39/00/79/167390079.db2.gz HUOXIJZKDFBXQB-UHFFFAOYSA-N 1 0 195.262 1.518 50 0 ADAARO CCOCC[NH2+]Cc1ccc(F)cc1 35098251 167390231 /nfs/dbraw/zinc/39/02/31/167390231.db2.gz CLNVFZMDENDUKR-UHFFFAOYSA-N 1 0 197.253 1.952 50 0 ADAARO CCOCCOCC[C@H]1CC[NH2+]C1 42784200 167390837 /nfs/dbraw/zinc/39/08/37/167390837.db2.gz BCEUANORCVUCSI-SNVBAGLBSA-N 1 0 187.283 1.039 50 0 ADAARO CCOCCOCC[C@@H]1CC[NH2+]C1 42784199 167391333 /nfs/dbraw/zinc/39/13/33/167391333.db2.gz BCEUANORCVUCSI-JTQLQIEISA-N 1 0 187.283 1.039 50 0 ADAARO CCOCCOC[C@H]1CCC[NH2+]C1 14631068 167391402 /nfs/dbraw/zinc/39/14/02/167391402.db2.gz NZMIRISQCTXKFG-JTQLQIEISA-N 1 0 187.283 1.039 50 0 ADAARO CCOCCOCC1CC[NH2+]CC1 14631378 167392320 /nfs/dbraw/zinc/39/23/20/167392320.db2.gz AQVXUNWXDLOUIO-UHFFFAOYSA-N 1 0 187.283 1.039 50 0 ADAARO CCOCCOC[C@@H]1CCC[NH2+]C1 14631066 167392720 /nfs/dbraw/zinc/39/27/20/167392720.db2.gz NZMIRISQCTXKFG-SNVBAGLBSA-N 1 0 187.283 1.039 50 0 ADAARO CCOCC[C@H]1CCC[NH2+]C1 14632350 167393721 /nfs/dbraw/zinc/39/37/21/167393721.db2.gz BNVNBSVMAFCIJZ-SECBINFHSA-N 1 0 157.257 1.413 50 0 ADAARO CCOCC[C@H]1CCCC[NH2+]1 14632314 167394117 /nfs/dbraw/zinc/39/41/17/167394117.db2.gz VGLHFVRUBTUYFV-SECBINFHSA-N 1 0 157.257 1.555 50 0 ADAARO CCOCC[C@H]1CC[NH2+]C1 42784170 167394145 /nfs/dbraw/zinc/39/41/45/167394145.db2.gz IPGCQZXMWOKOGO-MRVPVSSYSA-N 1 0 143.230 1.023 50 0 ADAARO CCOCC[C@@H]1CC[NH2+]C1 42784169 167394428 /nfs/dbraw/zinc/39/44/28/167394428.db2.gz IPGCQZXMWOKOGO-QMMMGPOBSA-N 1 0 143.230 1.023 50 0 ADAARO CCOCC[C@@H]1CCC[NH2+]C1 14632349 167394939 /nfs/dbraw/zinc/39/49/39/167394939.db2.gz BNVNBSVMAFCIJZ-VIFPVBQESA-N 1 0 157.257 1.413 50 0 ADAARO CCOCC[C@@H]1CCCC[NH2+]1 14632313 167395744 /nfs/dbraw/zinc/39/57/44/167395744.db2.gz VGLHFVRUBTUYFV-VIFPVBQESA-N 1 0 157.257 1.555 50 0 ADAARO CCOC[C@H]([NH3+])c1ccccc1 22564301 167396040 /nfs/dbraw/zinc/39/60/40/167396040.db2.gz CZBBUOXUTITZAI-JTQLQIEISA-N 1 0 165.236 1.723 50 0 ADAARO CCOC[C@@H]1CCC[NH2+]C1 12137866 167396865 /nfs/dbraw/zinc/39/68/65/167396865.db2.gz HOSUXBKDVIAMEG-MRVPVSSYSA-N 1 0 143.230 1.023 50 0 in-vitro ADAARO CCOC[C@@H]1CCCC[NH2+]1 19802733 167396974 /nfs/dbraw/zinc/39/69/74/167396974.db2.gz RDSMGVDNKMWCDR-QMMMGPOBSA-N 1 0 143.230 1.165 50 0 ADAARO CCOC[C@@H]([NH3+])CC(C)C 20266638 167397088 /nfs/dbraw/zinc/39/70/88/167397088.db2.gz BGHJPIOXKTYCPD-QMMMGPOBSA-N 1 0 145.246 1.396 50 0 ADAARO CCOC[C@H]1CCC[NH2+]C1 12137867 167397397 /nfs/dbraw/zinc/39/73/97/167397397.db2.gz HOSUXBKDVIAMEG-QMMMGPOBSA-N 1 0 143.230 1.023 50 0 in-vitro ADAARO CCOC[C@@H]([NH3+])C(C)C 19735455 167397528 /nfs/dbraw/zinc/39/75/28/167397528.db2.gz UTZIPLPSCHINQD-SSDOTTSWSA-N 1 0 131.219 1.006 50 0 in-vitro ADAARO CCOC[C@H]1CCCC[NH2+]1 19802734 167398015 /nfs/dbraw/zinc/39/80/15/167398015.db2.gz RDSMGVDNKMWCDR-MRVPVSSYSA-N 1 0 143.230 1.165 50 0 ADAARO CCOC[C@@H]([NH3+])c1ccccc1 20266646 167398133 /nfs/dbraw/zinc/39/81/33/167398133.db2.gz CZBBUOXUTITZAI-SNVBAGLBSA-N 1 0 165.236 1.723 50 0 ADAARO CCOC[C@H]([NH3+])C(C)C 19735456 167398254 /nfs/dbraw/zinc/39/82/54/167398254.db2.gz UTZIPLPSCHINQD-ZETCQYMHSA-N 1 0 131.219 1.006 50 0 in-vitro ADAARO CCOP(=O)(C[NH3+])OCC 36072261 167398717 /nfs/dbraw/zinc/39/87/17/167398717.db2.gz UIBCDEFKKLRXHR-UHFFFAOYSA-N 1 0 167.145 1.169 50 0 in-vitro ADAARO CCOP(=O)(CCC[NH3+])OCC 2569990 167399096 /nfs/dbraw/zinc/39/90/96/167399096.db2.gz DQORFBNFNLHVIM-UHFFFAOYSA-N 1 0 195.199 1.601 50 0 in-vitro ADAARO CCOCc1ccc(C[NH3+])cc1 20282598 167399186 /nfs/dbraw/zinc/39/91/86/167399186.db2.gz RJZRSTLZBOUGKM-UHFFFAOYSA-N 1 0 165.236 1.682 50 0 ADAARO CCOP(=O)(OCC)[C@@H](C)[NH3+] 36001051 167399250 /nfs/dbraw/zinc/39/92/50/167399250.db2.gz SQAAQHWGIOAIST-LURJTMIESA-N 1 0 181.172 1.557 50 0 ADAARO CCOP(=O)(OCC)[C@H](C)[NH3+] 36001053 167399625 /nfs/dbraw/zinc/39/96/25/167399625.db2.gz SQAAQHWGIOAIST-ZCFIWIBFSA-N 1 0 181.172 1.557 50 0 ADAARO CCO[C@@H]1C[C@@H]([NH3+])C12CCC2 71372477 167404702 /nfs/dbraw/zinc/40/47/02/167404702.db2.gz VLMVTXSEXUNQGV-HTQZYQBOSA-N 1 0 155.241 1.293 50 0 in-vitro ADAARO CCO[C@@H]1C[C@H]([NH2+]C)C12CCC2 78210737 167405433 /nfs/dbraw/zinc/40/54/33/167405433.db2.gz ZFSXAHVCFNMAIP-DTWKUNHWSA-N 1 0 169.268 1.554 50 0 in-vitro ADAARO CCO[C@H](CC[NH3+])C1CCCC1 72266573 167407288 /nfs/dbraw/zinc/40/72/88/167407288.db2.gz QFVYSRYGSVZTKF-SNVBAGLBSA-N 1 0 171.284 1.931 50 0 in-vitro ADAARO CCO[C@H]1C[C@H]([NH3+])C1(C)C 68576902 167408276 /nfs/dbraw/zinc/40/82/76/167408276.db2.gz YUAPUZDWVJWNRH-BQBZGAKWSA-N 1 0 143.230 1.149 50 0 in-vitro ADAARO CCO[C@H]1CC[NH2+]C[C@H]1C 70046409 167408523 /nfs/dbraw/zinc/40/85/23/167408523.db2.gz XXSOISDKFTYTJR-SFYZADRCSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO CCO[C@H]1C[C@@H]([NH3+])C1(C)C 68576906 167410181 /nfs/dbraw/zinc/41/01/81/167410181.db2.gz YUAPUZDWVJWNRH-RQJHMYQMSA-N 1 0 143.230 1.149 50 0 in-vitro ADAARO CCOc1c(F)cc(C[NH3+])cc1F 38529879 167411646 /nfs/dbraw/zinc/41/16/46/167411646.db2.gz ZFFNQIUQXUZZTP-UHFFFAOYSA-N 1 0 187.189 1.822 50 0 ADAARO CCOc1cc(N)cc(C)[nH+]1 91364305 167414800 /nfs/dbraw/zinc/41/48/00/167414800.db2.gz YYQOFHLLEXCFBR-UHFFFAOYSA-N 1 0 152.197 1.371 50 0 in-vitro ADAARO CCOc1ccc(C[NH2+]C)cc1OC 3886958 167416325 /nfs/dbraw/zinc/41/63/25/167416325.db2.gz WJQQEUVDXNONEX-UHFFFAOYSA-N 1 0 195.262 1.813 50 0 ADAARO CCOc1ccc(C[NH3+])cc1C 37733303 167416655 /nfs/dbraw/zinc/41/66/55/167416655.db2.gz RNFHCCGWGGEBJY-UHFFFAOYSA-N 1 0 165.236 1.852 50 0 ADAARO CCOc1ccc(C[NH3+])cc1OC 4227535 167416888 /nfs/dbraw/zinc/41/68/88/167416888.db2.gz LMUGJOISPLJRRD-UHFFFAOYSA-N 1 0 181.235 1.553 50 0 in-vitro ADAARO CCOc1ccc(C[C@H](C)[NH3+])cc1 5234409 167417398 /nfs/dbraw/zinc/41/73/98/167417398.db2.gz CCAMEVFYMFXHEN-VIFPVBQESA-N 1 0 179.263 1.975 50 0 in-vivo ADAARO CCOc1ccc(CC[NH3+])cc1 2528181 167417895 /nfs/dbraw/zinc/41/78/95/167417895.db2.gz OQIMYLCOTAZDEZ-UHFFFAOYSA-N 1 0 165.236 1.587 50 0 ADAARO CCOc1ccc(C[NH2+]C)cc1 3886960 167418107 /nfs/dbraw/zinc/41/81/07/167418107.db2.gz XQYGQAVOILJHDN-UHFFFAOYSA-N 1 0 165.236 1.805 50 0 in-vitro ADAARO CCOc1ccc(OC2C[NH2+]C2)cc1 42769968 167419423 /nfs/dbraw/zinc/41/94/23/167419423.db2.gz URMKALKQDGNPQL-UHFFFAOYSA-N 1 0 193.246 1.436 50 0 ADAARO CCOc1ccc(OCC(N)=[NH2+])cc1 16647962 167419596 /nfs/dbraw/zinc/41/95/96/167419596.db2.gz OSXVCEZFYXOEFZ-UHFFFAOYSA-N 1 0 194.234 1.400 50 0 in-vitro ADAARO CCOc1ccc2c(c1)C[NH2+]CC2 20470613 167421604 /nfs/dbraw/zinc/42/16/04/167421604.db2.gz KBQUTZWNYWITQC-UHFFFAOYSA-N 1 0 177.247 1.731 50 0 in-vitro ADAARO CCOc1cccc(OCC[NH2+]C)c1 19094250 167424617 /nfs/dbraw/zinc/42/46/17/167424617.db2.gz DAGCKUWREJSPTH-UHFFFAOYSA-N 1 0 195.262 1.684 50 0 in-vitro ADAARO CCOc1cccc([C@@H](O)C[NH2+]C)c1 226413 167424882 /nfs/dbraw/zinc/42/48/82/167424882.db2.gz PVXJPHPKSYDZSV-NSHDSACASA-N 1 0 195.262 1.338 50 0 ADAARO CCOc1cccc([C@@H]2C[C@@H]2[NH3+])c1 32006989 167425881 /nfs/dbraw/zinc/42/58/81/167425881.db2.gz IUIOQWQTYQOKIZ-QWRGUYRKSA-N 1 0 177.247 1.900 50 0 ADAARO CCOc1ccccc1C[C@H](C)[NH3+] 5234407 167426984 /nfs/dbraw/zinc/42/69/84/167426984.db2.gz BTRNIAUTIJBXFZ-VIFPVBQESA-N 1 0 179.263 1.975 50 0 ADAARO CCOc1ccccc1C[NH2+]C 5907032 167427441 /nfs/dbraw/zinc/42/74/41/167427441.db2.gz FLYYNTJSTFWALY-UHFFFAOYSA-N 1 0 165.236 1.805 50 0 in-vitro ADAARO CCOc1ccccc1C[C@@H](C)[NH3+] 5234406 167427588 /nfs/dbraw/zinc/42/75/88/167427588.db2.gz BTRNIAUTIJBXFZ-SECBINFHSA-N 1 0 179.263 1.975 50 0 ADAARO CCSCCC[NH3+] 13526110 167435159 /nfs/dbraw/zinc/43/51/59/167435159.db2.gz YUANZDIYFLGXAB-UHFFFAOYSA-N 1 0 119.233 1.088 50 0 in-vitro ADAARO CCSCC[N@H+](C)[C@@H](C)CO 89275254 167435413 /nfs/dbraw/zinc/43/54/13/167435413.db2.gz VVUQDKDOYOQRHB-QMMMGPOBSA-N 1 0 177.313 1.052 50 0 ADAARO CCSC[C@@H]1CCCC[NH2+]1 43495280 167436637 /nfs/dbraw/zinc/43/66/37/167436637.db2.gz HPUFDZUYROBFLB-QMMMGPOBSA-N 1 0 159.298 1.882 50 0 ADAARO CCS[C@H]1CC[C@@H]([NH2+]C)C1 71790741 167438761 /nfs/dbraw/zinc/43/87/61/167438761.db2.gz HQSWZOMBJNDIFU-SFYZADRCSA-N 1 0 159.298 1.880 50 0 in-vitro ADAARO CCS[C@@H]1CC[C@@H]([NH3+])C1 71790756 167438932 /nfs/dbraw/zinc/43/89/32/167438932.db2.gz NSNGAXYXFQFJHD-RNFRBKRXSA-N 1 0 145.271 1.619 50 0 in-vitro ADAARO CCS[C@@H]1CC[C@H]([NH2+]C)C1 71790738 167438958 /nfs/dbraw/zinc/43/89/58/167438958.db2.gz HQSWZOMBJNDIFU-JGVFFNPUSA-N 1 0 159.298 1.880 50 0 in-vitro ADAARO CCS[C@H]1CC[C@H]([NH2+]C)C1 71790739 167439025 /nfs/dbraw/zinc/43/90/25/167439025.db2.gz HQSWZOMBJNDIFU-YUMQZZPRSA-N 1 0 159.298 1.880 50 0 in-vitro ADAARO CC[C@@H](C)C[NH2+]CCNC(=O)C1CC1 89942228 167453067 /nfs/dbraw/zinc/45/30/67/167453067.db2.gz IJMGZJBLGNKTQC-SECBINFHSA-N 1 0 198.310 1.148 50 0 ADAARO CC[C@@H](C)C[C@H](C)[NH3+] 1587853 167456718 /nfs/dbraw/zinc/45/67/18/167456718.db2.gz YAHRDLICUYEDAU-RQJHMYQMSA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO CC[C@@H](C)C[C@@H](C)[NH3+] 1587851 167457112 /nfs/dbraw/zinc/45/71/12/167457112.db2.gz YAHRDLICUYEDAU-RNFRBKRXSA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO CC[C@@H](C)[C@@H]1CC[NH2+]C1 51690706 167490545 /nfs/dbraw/zinc/49/05/45/167490545.db2.gz AEDQACYVUCFJMC-HTQZYQBOSA-N 1 0 127.231 1.642 50 0 ADAARO CC[C@@H](C)[C@H]1CCC[NH2+]1 3732254 167495407 /nfs/dbraw/zinc/49/54/07/167495407.db2.gz KCHJATHVAOQQQV-HTQZYQBOSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO CC[C@@H](CC[NH3+])n1cc(Cl)cn1 12357764 167506657 /nfs/dbraw/zinc/50/66/57/167506657.db2.gz AKLXSUBMIKATRY-QMMMGPOBSA-N 1 0 187.674 1.836 50 0 ADAARO CC[C@@H](C[NH3+])C(C)C 37755203 167507163 /nfs/dbraw/zinc/50/71/63/167507163.db2.gz DUVMZZKAZNNLQY-ZETCQYMHSA-N 1 0 115.220 1.627 50 0 in-vitro ADAARO CC[C@@H](C[NH3+])CC(F)(F)F 74342753 167507578 /nfs/dbraw/zinc/50/75/78/167507578.db2.gz KVWBHXIPZOJAMD-RXMQYKEDSA-N 1 0 155.163 1.924 50 0 ADAARO CC[C@@H](C[NH3+])NC(=O)OC(C)(C)C 34361992 167508575 /nfs/dbraw/zinc/50/85/75/167508575.db2.gz KGJCYTMWAXWVOM-ZETCQYMHSA-N 1 0 188.271 1.248 50 0 in-vitro ADAARO CC[C@@H](CO)[NH2+]Cc1sccc1C 512902 167512333 /nfs/dbraw/zinc/51/23/33/167512333.db2.gz WWSKFEIFENZNJV-VIFPVBQESA-N 1 0 199.319 1.917 50 0 ADAARO CC[C@@H](CO)[NH2+]Cc1ccccc1F 808293 167513402 /nfs/dbraw/zinc/51/34/02/167513402.db2.gz WDLIUSVZZOVBQW-JTQLQIEISA-N 1 0 197.253 1.686 50 0 ADAARO CC[C@@H]([NH3+])CC(C)C 37466817 167520848 /nfs/dbraw/zinc/52/08/48/167520848.db2.gz TXSYUJZYRYMDQD-SSDOTTSWSA-N 1 0 115.220 1.770 50 0 ADAARO CC[C@@H]([NH3+])C1CCCC1 36468113 167521055 /nfs/dbraw/zinc/52/10/55/167521055.db2.gz UJPWZPCHMUQQNN-MRVPVSSYSA-N 1 0 127.231 1.914 50 0 ADAARO CC[C@@H]([NH3+])C1CC1 3739089 167521081 /nfs/dbraw/zinc/52/10/81/167521081.db2.gz OXXSMQHKMPTBAR-ZCFIWIBFSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO CC[C@@H]([NH3+])Cc1ccc(C)c(O)c1 56470 167522309 /nfs/dbraw/zinc/52/23/09/167522309.db2.gz ZPDWHORJHVKVPL-SNVBAGLBSA-N 1 0 179.263 1.980 50 0 ADAARO CC[C@@H]([NH3+])COCC1CC1 50181447 167522489 /nfs/dbraw/zinc/52/24/89/167522489.db2.gz OYJPARFVZHZRAW-MRVPVSSYSA-N 1 0 143.230 1.150 50 0 ADAARO CC[C@@H]([NH3+])COCC(F)(F)F 50180722 167522956 /nfs/dbraw/zinc/52/29/56/167522956.db2.gz WNGKXRMUFJDQEE-RXMQYKEDSA-N 1 0 171.162 1.303 50 0 ADAARO CC[C@@H]([NH3+])CNC(=O)OC(C)(C)C 39952150 167522995 /nfs/dbraw/zinc/52/29/95/167522995.db2.gz RRCIEECLAFGKTM-SSDOTTSWSA-N 1 0 188.271 1.248 50 0 in-vitro ADAARO CC[C@@H]([NH3+])CNc1ccccc1 40397884 167524226 /nfs/dbraw/zinc/52/42/26/167524226.db2.gz SCYNFWCYOVOCTN-SECBINFHSA-N 1 0 164.252 1.836 50 0 ADAARO CC[C@@H]([NH3+])[C@H]1CC1(C)C 222569379 167526120 /nfs/dbraw/zinc/52/61/20/167526120.db2.gz VMNUGUKELCXBBY-RNFRBKRXSA-N 1 0 127.231 1.770 50 0 ADAARO CC[C@@H]([NH3+])c1c(C)nn(C)c1C 4992775 167526799 /nfs/dbraw/zinc/52/67/99/167526799.db2.gz AWGVOPVZUSQWFY-MRVPVSSYSA-N 1 0 167.256 1.447 50 0 in-vitro ADAARO CC[C@@H]([NH2+]C)c1ccccn1 19091460 167530662 /nfs/dbraw/zinc/53/06/62/167530662.db2.gz PZDVEUZUKAGTFJ-MRVPVSSYSA-N 1 0 150.225 1.752 50 0 in-vitro ADAARO CC[C@@H]([NH2+]C)c1cccnc1 19091644 167531359 /nfs/dbraw/zinc/53/13/59/167531359.db2.gz JTPWXPRSUHUPPR-SECBINFHSA-N 1 0 150.225 1.752 50 0 in-vitro ADAARO CC[C@@H](O)C[NH+](CC)CC 6224775 167535910 /nfs/dbraw/zinc/53/59/10/167535910.db2.gz MYEXJQKKWOPGGE-MRVPVSSYSA-N 1 0 145.246 1.099 50 0 ADAARO CC[C@@H](O)C[NH2+]Cc1ccccc1 26897774 167538025 /nfs/dbraw/zinc/53/80/25/167538025.db2.gz XHIGQRPMBZIQLS-LLVKDONJSA-N 1 0 179.263 1.547 50 0 in-vitro ADAARO CC[C@@H]1CCCC[NH2+]1 2035003 167545044 /nfs/dbraw/zinc/54/50/44/167545044.db2.gz QBBKKFZGCDJDQK-SSDOTTSWSA-N 1 0 113.204 1.539 50 0 in-vitro ADAARO CC[C@@H]1CCCC[C@@H]1[NH3+] 22130015 167545751 /nfs/dbraw/zinc/54/57/51/167545751.db2.gz QOPVVDFTPKWSFL-SFYZADRCSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO CC[C@@H]1CCCC[C@H]1[NH2+]CCO 42578614 167548876 /nfs/dbraw/zinc/54/88/76/167548876.db2.gz QQGWSWAVEALNHJ-NXEZZACHSA-N 1 0 171.284 1.537 50 0 ADAARO CC[C@@H]1CCC[C@H](C)[NH2+]1 6412117 167551454 /nfs/dbraw/zinc/55/14/54/167551454.db2.gz SHNZHBPHRUISCU-JGVFFNPUSA-N 1 0 127.231 1.927 50 0 ADAARO CC[C@@H]1CCC[C@@](O)(C[NH3+])C1 70621914 167551960 /nfs/dbraw/zinc/55/19/60/167551960.db2.gz JGBZVFRUGAMIFA-BDAKNGLRSA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO CC[C@@H]1CC[NH2+]C1 39258932 167553481 /nfs/dbraw/zinc/55/34/81/167553481.db2.gz DZFFQSFNUBWNSF-ZCFIWIBFSA-N 1 0 99.177 1.006 50 0 in-vitro ADAARO CC[C@@H]1CC[C@@H](C)[NH2+]1 83961912 167554365 /nfs/dbraw/zinc/55/43/65/167554365.db2.gz HFSPXKKJTJCBNE-RNFRBKRXSA-N 1 0 113.204 1.537 50 0 in-vitro ADAARO CC[C@@H]1CC[NH2+][C@@H]1C 51953894 167554739 /nfs/dbraw/zinc/55/47/39/167554739.db2.gz UAXAEXSGLQSLFT-RNFRBKRXSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CC[C@@H]1CC[C@H](C)[NH2+]C1 1693289 167557167 /nfs/dbraw/zinc/55/71/67/167557167.db2.gz XOFNHZHCGBPVGJ-JGVFFNPUSA-N 1 0 127.231 1.785 50 0 ADAARO CC[C@H]1CC[C@@H]([NH3+])CC1 104637133 167559102 /nfs/dbraw/zinc/55/91/02/167559102.db2.gz IKQCKANHUYSABG-ZKCHVHJHSA-N 1 0 127.231 1.914 50 0 ADAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH3+] 82164749 167559126 /nfs/dbraw/zinc/55/91/26/167559126.db2.gz ZYYCVMDMNLXMPG-NXEZZACHSA-N 1 0 198.310 1.228 50 0 in-vitro ADAARO CC[C@@H]1[NH2+]CC[C@H]1C 3733588 167570527 /nfs/dbraw/zinc/57/05/27/167570527.db2.gz KRWLHJKHRJHIEJ-RQJHMYQMSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CC[C@@H]1[C@H](C)C[NH2+][C@@H]1C 4582431 167573421 /nfs/dbraw/zinc/57/34/21/167573421.db2.gz GTDYINNWQOHUAH-BWZBUEFSSA-N 1 0 127.231 1.640 50 0 ADAARO CC[C@@](C)(C[NH2+]C)OC 51958270 167575466 /nfs/dbraw/zinc/57/54/66/167575466.db2.gz LJRKMILDDLJKQF-ZETCQYMHSA-N 1 0 131.219 1.021 50 0 ADAARO CC[C@@](CO)([NH2+]C)c1ccccc1 34413898 167579807 /nfs/dbraw/zinc/57/98/07/167579807.db2.gz HRQGMPWJXQSTEH-NSHDSACASA-N 1 0 179.263 1.504 50 0 in-vitro ADAARO CC[C@@]1(C)C[C@@H]1[NH3+] 52126097 167581476 /nfs/dbraw/zinc/58/14/76/167581476.db2.gz QKFNHSOEBYDPGI-WDSKDSINSA-N 1 0 99.177 1.134 50 0 ADAARO CC[C@@]1(C[NH3+])OCCc2ccccc21 225413698 167583636 /nfs/dbraw/zinc/58/36/36/167583636.db2.gz RBFODLJQOZFKJW-LBPRGKRZSA-N 1 0 191.274 1.823 50 0 in-vitro ADAARO CC[C@@]1(F)CC[NH2+]C1 107114442 167584715 /nfs/dbraw/zinc/58/47/15/167584715.db2.gz ZGRJHMKJQXTZME-ZCFIWIBFSA-N 1 0 117.167 1.098 50 0 ADAARO CC[C@H](C)CC[NH3+] 19090239 167599172 /nfs/dbraw/zinc/59/91/72/167599172.db2.gz JLAUIBFZZUVOBB-LURJTMIESA-N 1 0 101.193 1.381 50 0 in-vitro ADAARO CC[C@H](C)[NH2+]Cc1csnn1 36901804 167615020 /nfs/dbraw/zinc/61/50/20/167615020.db2.gz YDCGWMQYIGCNID-LURJTMIESA-N 1 0 171.269 1.426 50 0 ADAARO CC[C@H](C)[NH2+]CCNCC(F)(F)F 22466964 167615348 /nfs/dbraw/zinc/61/53/48/167615348.db2.gz SYCSSJBDQKCHPI-ZETCQYMHSA-N 1 0 198.232 1.526 50 0 ADAARO CC[C@H](C)[NH2+]C[C@@H]1CCCO1 15416778 167616727 /nfs/dbraw/zinc/61/67/27/167616727.db2.gz DTGKGWYYYLRIBA-IUCAKERBSA-N 1 0 157.257 1.554 50 0 ADAARO CC[C@H](C)[NH2+]C[C@@H](O)C(F)(F)F 4050500 167617001 /nfs/dbraw/zinc/61/70/01/167617001.db2.gz XHHBBCJFYLKQGK-NTSWFWBYSA-N 1 0 185.189 1.298 50 0 ADAARO CC[C@H](C)[NH2+][C@H](CO)CC(C)C 38116557 167619732 /nfs/dbraw/zinc/61/97/32/167619732.db2.gz VHZBXALGCQOWOR-UWVGGRQHSA-N 1 0 173.300 1.782 50 0 ADAARO CC[C@H](C)[C@@H]1CC[NH2+]C1 51690707 167629230 /nfs/dbraw/zinc/62/92/30/167629230.db2.gz AEDQACYVUCFJMC-JGVFFNPUSA-N 1 0 127.231 1.642 50 0 ADAARO CC[C@H](C)[C@@H]1CCC[NH2+]1 3732257 167629730 /nfs/dbraw/zinc/62/97/30/167629730.db2.gz KCHJATHVAOQQQV-YUMQZZPRSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO CC[C@H](C)[C@H]1CC[NH2+]C1 51690709 167630162 /nfs/dbraw/zinc/63/01/62/167630162.db2.gz AEDQACYVUCFJMC-YUMQZZPRSA-N 1 0 127.231 1.642 50 0 ADAARO CC[C@H](C)[C@H]1CCC[NH2+]1 3732255 167632031 /nfs/dbraw/zinc/63/20/31/167632031.db2.gz KCHJATHVAOQQQV-JGVFFNPUSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO CC[C@H](CC[NH3+])n1cc(Cl)cn1 12357765 167641187 /nfs/dbraw/zinc/64/11/87/167641187.db2.gz AKLXSUBMIKATRY-MRVPVSSYSA-N 1 0 187.674 1.836 50 0 ADAARO CC[C@H](C[NH3+])Oc1ccccc1F 43541549 167644681 /nfs/dbraw/zinc/64/46/81/167644681.db2.gz QVAGGNDTYUYINE-MRVPVSSYSA-N 1 0 183.226 1.942 50 0 in-vitro ADAARO CC[C@H](C[NH3+])Oc1ccccc1 43541595 167645454 /nfs/dbraw/zinc/64/54/54/167645454.db2.gz SYJYUOUNEDFGGO-SECBINFHSA-N 1 0 165.236 1.803 50 0 in-vitro ADAARO CC[C@H](CO)[NH2+]Cc1ccc(C)s1 5908187 167647061 /nfs/dbraw/zinc/64/70/61/167647061.db2.gz ADXRTVOBINTIFG-SECBINFHSA-N 1 0 199.319 1.917 50 0 ADAARO CC[C@H](CO)[NH2+]Cc1ccc(C)cc1 5908177 167647110 /nfs/dbraw/zinc/64/71/10/167647110.db2.gz FNVZESNQKGUUGN-GFCCVEGCSA-N 1 0 193.290 1.856 50 0 in-vitro ADAARO CC[C@H](CO)[NH2+]CCc1ccccc1 10474369 167647979 /nfs/dbraw/zinc/64/79/79/167647979.db2.gz HLRRMIWDZXVQEN-GFCCVEGCSA-N 1 0 193.290 1.590 50 0 ADAARO CC[C@H](CSC)[NH2+]C 54495477 167648563 /nfs/dbraw/zinc/64/85/63/167648563.db2.gz LDPYPWJIRZXMOE-ZCFIWIBFSA-N 1 0 133.260 1.347 50 0 in-vitro ADAARO CC[C@H]([NH3+])C(=O)N(C)C1CCCCC1 36871294 167650180 /nfs/dbraw/zinc/65/01/80/167650180.db2.gz QJGXUAXCPFJRAO-JTQLQIEISA-N 1 0 198.310 1.515 50 0 in-vitro ADAARO CC[C@H]([NH3+])C(=O)OCc1ccccc1 36466866 167651649 /nfs/dbraw/zinc/65/16/49/167651649.db2.gz CDENZIFHXOBSOW-JTQLQIEISA-N 1 0 193.246 1.467 50 0 ADAARO CC[C@H]([NH3+])C1CCOCC1 68957044 167654140 /nfs/dbraw/zinc/65/41/40/167654140.db2.gz POHBXKQWGRCETE-QMMMGPOBSA-N 1 0 143.230 1.150 50 0 in-vitro ADAARO CC[C@H]([NH3+])[C@H]1CC1(C)C 222569328 167657053 /nfs/dbraw/zinc/65/70/53/167657053.db2.gz VMNUGUKELCXBBY-RQJHMYQMSA-N 1 0 127.231 1.770 50 0 ADAARO CC[C@H]([NH3+])[C@@H]1C[C@H]1C 122573627 167657057 /nfs/dbraw/zinc/65/70/57/167657057.db2.gz LJEXECLDZCJGIE-QYNIQEEDSA-N 1 0 113.204 1.380 50 0 ADAARO CC[C@H]([NH3+])[C@@H](O)c1ccccc1F 36779352 167657133 /nfs/dbraw/zinc/65/71/33/167657133.db2.gz PTVLWJBAUNCFLW-UWVGGRQHSA-N 1 0 183.226 1.596 50 0 in-vitro ADAARO CC[C@H]([NH3+])[C@@H](O)c1ccccc1 1614514 167658012 /nfs/dbraw/zinc/65/80/12/167658012.db2.gz UOZNVPFVNBRISY-UWVGGRQHSA-N 1 0 165.236 1.457 50 0 in-vitro ADAARO CC[C@H]([NH2+]C)c1cccnc1 19091648 167664034 /nfs/dbraw/zinc/66/40/34/167664034.db2.gz JTPWXPRSUHUPPR-VIFPVBQESA-N 1 0 150.225 1.752 50 0 in-vitro ADAARO CC[C@H]1CCCCN1C(=O)CC[NH3+] 37083153 167675890 /nfs/dbraw/zinc/67/58/90/167675890.db2.gz CMJAVHCSDZRAAZ-VIFPVBQESA-N 1 0 184.283 1.126 50 0 in-vitro ADAARO CC[C@H]1CCCCN1[C@H]1CC[NH2+]C1 248091314 167676872 /nfs/dbraw/zinc/67/68/72/167676872.db2.gz VNHIDBOBGHDNOW-QWRGUYRKSA-N 1 0 182.311 1.613 50 0 ADAARO CC[C@H]1CCC[C@H]([NH3+])C1 68593497 167682167 /nfs/dbraw/zinc/68/21/67/167682167.db2.gz AYIHVGHQMYIGRH-YUMQZZPRSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO CC[C@H]1CC[C@H](C)[NH2+]1 83961911 167687725 /nfs/dbraw/zinc/68/77/25/167687725.db2.gz HFSPXKKJTJCBNE-BQBZGAKWSA-N 1 0 113.204 1.537 50 0 in-vitro ADAARO CC[C@H]1CC[C@H](C)[NH2+]C1 1693288 167688056 /nfs/dbraw/zinc/68/80/56/167688056.db2.gz XOFNHZHCGBPVGJ-YUMQZZPRSA-N 1 0 127.231 1.785 50 0 ADAARO CC[C@H]1C[NH2+]CCS1 71790451 167690533 /nfs/dbraw/zinc/69/05/33/167690533.db2.gz HBLYPCZZIIUFRO-LURJTMIESA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO CC[C@H]1C[NH2+]C[C@H](CC)O1 75529141 167691350 /nfs/dbraw/zinc/69/13/50/167691350.db2.gz LPNZFNBNRWCBKA-YUMQZZPRSA-N 1 0 143.230 1.163 50 0 ADAARO CC[C@H]1[NH2+]CCn2cccc21 4384243 167701312 /nfs/dbraw/zinc/70/13/12/167701312.db2.gz KXOHPRHOYYETRK-MRVPVSSYSA-N 1 0 150.225 1.542 50 0 in-vitro ADAARO CC[C@]1(C(C)C)C[C@H]1[NH3+] 52126010 167707565 /nfs/dbraw/zinc/70/75/65/167707565.db2.gz RRIYQSZHJKGTEK-HTQZYQBOSA-N 1 0 127.231 1.770 50 0 ADAARO CC[C@]1(C[NH3+])OCCc2ccccc21 225413733 167711012 /nfs/dbraw/zinc/71/10/12/167711012.db2.gz RBFODLJQOZFKJW-GFCCVEGCSA-N 1 0 191.274 1.823 50 0 in-vitro ADAARO CC[C@]1(C)CC[NH2+]C1 39269247 167711502 /nfs/dbraw/zinc/71/15/02/167711502.db2.gz DWEXCXIEVRCDTE-SSDOTTSWSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO CCc1c(C)nn(CC[NH3+])c1C 34925290 167720164 /nfs/dbraw/zinc/72/01/64/167720164.db2.gz HKOVPOLLMYNWQT-UHFFFAOYSA-N 1 0 167.256 1.021 50 0 in-vitro ADAARO CCc1c(C)nn(CCC[NH3+])c1C 34925296 167721001 /nfs/dbraw/zinc/72/10/01/167721001.db2.gz GLFZQAZYLBDZDX-UHFFFAOYSA-N 1 0 181.283 1.411 50 0 ADAARO CCc1c2cccn2cc(C)[n+]1C 12341398 167722517 /nfs/dbraw/zinc/72/25/17/167722517.db2.gz APLIGPPINAVKCG-UHFFFAOYSA-N 1 0 175.255 1.635 50 0 ADAARO CCc1c2ccc(C)n2cc(C)[n+]1C 12341395 167723801 /nfs/dbraw/zinc/72/38/01/167723801.db2.gz GJLPTYLDRSOVCJ-UHFFFAOYSA-N 1 0 189.282 1.943 50 0 ADAARO CCc1cc(C)cn2ccc[n+]12 4789688 167724574 /nfs/dbraw/zinc/72/45/74/167724574.db2.gz RDLSOBCLSQBBTD-UHFFFAOYSA-N 1 0 161.228 1.396 50 0 ADAARO CCc1cc2nc(C)cc(C)n2[o+]1 408852 167730535 /nfs/dbraw/zinc/73/05/35/167730535.db2.gz MEAKDWJJMJNCFJ-UHFFFAOYSA-N 1 0 177.227 1.593 50 0 ADAARO CCc1ccc(O[C@H]2CC[NH2+]C2)cc1 14632256 167740990 /nfs/dbraw/zinc/74/09/90/167740990.db2.gz UGLMHMFAJDFTSB-LBPRGKRZSA-N 1 0 191.274 1.990 50 0 ADAARO CCc1ccc([C@@H](O)C[NH3+])cc1 11802865 167741799 /nfs/dbraw/zinc/74/17/99/167741799.db2.gz XIZKPKJTDGAEGJ-JTQLQIEISA-N 1 0 165.236 1.241 50 0 in-vitro ADAARO CCc1ccc([C@@H]2C[NH2+]CCN2)cc1 39934040 167742318 /nfs/dbraw/zinc/74/23/18/167742318.db2.gz XXPMLIBLWBCOEI-LBPRGKRZSA-N 1 0 190.290 1.483 50 0 in-vitro ADAARO CCc1ccc([C@](C)(O)C[NH3+])cc1 11803505 167744089 /nfs/dbraw/zinc/74/40/89/167744089.db2.gz DLKWKERRELEJIU-LLVKDONJSA-N 1 0 179.263 1.415 50 0 ADAARO CCc1ccc2c(c1)C[NH2+]CC2 11597006 167745357 /nfs/dbraw/zinc/74/53/57/167745357.db2.gz LWBFOGGRLDRNOH-UHFFFAOYSA-N 1 0 161.248 1.895 50 0 ADAARO CCc1cccc(NC(N)=[NH2+])c1 52091880 167748775 /nfs/dbraw/zinc/74/87/75/167748775.db2.gz OOCLEFCNJHOZDX-UHFFFAOYSA-N 1 0 163.224 1.554 50 0 ADAARO CCc1cccc(O[C@@H]2CC[NH2+]C2)c1 14632211 167751195 /nfs/dbraw/zinc/75/11/95/167751195.db2.gz YQVYAONAOWNYGH-GFCCVEGCSA-N 1 0 191.274 1.990 50 0 ADAARO CCc1ccccc1NC(=O)CC[NH3+] 8732995 167752856 /nfs/dbraw/zinc/75/28/56/167752856.db2.gz JCUQXKLDMLYFAS-UHFFFAOYSA-N 1 0 192.262 1.536 50 0 in-vitro ADAARO CCc1ccccc1C[NH3+] 39256405 167753691 /nfs/dbraw/zinc/75/36/91/167753691.db2.gz JPYXQNWIQIBLJT-UHFFFAOYSA-N 1 0 135.210 1.708 50 0 in-vitro ADAARO CCc1ccccc1O[C@@H]1CC[NH2+]C1 14632153 167755200 /nfs/dbraw/zinc/75/52/00/167755200.db2.gz LUDROBCWYXPZST-LLVKDONJSA-N 1 0 191.274 1.990 50 0 in-vitro ADAARO CCc1cnccc1[C@@H](C)[NH3+] 90225668 167757755 /nfs/dbraw/zinc/75/77/55/167757755.db2.gz KEKZXRJWDVUQQT-SSDOTTSWSA-N 1 0 150.225 1.664 50 0 in-vitro ADAARO CCc1cnc(N2CC[NH2+]CC2)s1 54159033 167758539 /nfs/dbraw/zinc/75/85/39/167758539.db2.gz CVRSDODZNJLINB-UHFFFAOYSA-N 1 0 197.307 1.115 50 0 in-vitro ADAARO CCc1cnccc1C[NH3+] 95347474 167758881 /nfs/dbraw/zinc/75/88/81/167758881.db2.gz OPQXIXQHINAEIN-UHFFFAOYSA-N 1 0 136.198 1.103 50 0 in-vitro ADAARO CCc1cnccc1[C@H](C)[NH3+] 90225669 167759090 /nfs/dbraw/zinc/75/90/90/167759090.db2.gz KEKZXRJWDVUQQT-ZETCQYMHSA-N 1 0 150.225 1.664 50 0 in-vitro ADAARO CCc1nc(CC[NH3+])cs1 19092425 167767334 /nfs/dbraw/zinc/76/73/34/167767334.db2.gz KAUHGEGPUJTZCK-UHFFFAOYSA-N 1 0 156.254 1.207 50 0 in-vitro ADAARO CCc1nccc([C@@H]2CCC[NH2+]C2)n1 39947129 167780062 /nfs/dbraw/zinc/78/00/62/167780062.db2.gz CRUMXMILFJPYPX-SECBINFHSA-N 1 0 191.278 1.506 50 0 in-vitro ADAARO CCc1nccn1C[C@H]1CCC[NH2+]1 43496198 167780103 /nfs/dbraw/zinc/78/01/03/167780103.db2.gz UFCIBZMBMGFIJG-SECBINFHSA-N 1 0 179.267 1.198 50 0 ADAARO CCc1nnc(C2CC[NH2+]CC2)o1 19780341 167786495 /nfs/dbraw/zinc/78/64/95/167786495.db2.gz YIYGUDFBYMVFDD-UHFFFAOYSA-N 1 0 181.239 1.099 50 0 in-vitro ADAARO CCc1noc([C@@H]2CCC[NH2+]2)n1 20007683 167788592 /nfs/dbraw/zinc/78/85/92/167788592.db2.gz NSXJLWYLABWGKB-LURJTMIESA-N 1 0 167.212 1.057 50 0 ADAARO CCc1noc(C2CC[NH2+]CC2)n1 12359799 167789861 /nfs/dbraw/zinc/78/98/61/167789861.db2.gz PTQDWAPTOMWGGM-UHFFFAOYSA-N 1 0 181.239 1.099 50 0 ADAARO CCn1cc(C2CC[NH2+]CC2)cn1 52345147 167799688 /nfs/dbraw/zinc/79/96/88/167799688.db2.gz RJJVORCLCTXFLM-UHFFFAOYSA-N 1 0 179.267 1.370 50 0 in-vitro ADAARO CCn1cc(C[NH2+]CC(C)C)cn1 19089156 167800947 /nfs/dbraw/zinc/80/09/47/167800947.db2.gz QMKUVJQYYSTQFM-UHFFFAOYSA-N 1 0 181.283 1.649 50 0 in-vitro ADAARO CCn1cc([C@H](C)[NH3+])c(C)n1 2732149 167801751 /nfs/dbraw/zinc/80/17/51/167801751.db2.gz LBPWIVHXGHWTHG-LURJTMIESA-N 1 0 153.229 1.231 50 0 in-vitro ADAARO CCn1cccc1C[NH2+]C 45205823 167804554 /nfs/dbraw/zinc/80/45/54/167804554.db2.gz LDLOQRCPVSDJEC-UHFFFAOYSA-N 1 0 138.214 1.227 50 0 in-vitro ADAARO CCn1nc(C)c([C@H](C)[NH3+])c1C 6674610 167808653 /nfs/dbraw/zinc/80/86/53/167808653.db2.gz QKZKNPUAVZUVON-LURJTMIESA-N 1 0 167.256 1.540 50 0 ADAARO CCn1ncc([C@H](C)[NH3+])c1C 2534289 167809010 /nfs/dbraw/zinc/80/90/10/167809010.db2.gz DNLQBUDAUQRNQA-LURJTMIESA-N 1 0 153.229 1.231 50 0 ADAARO CCn1nc(C)c(CC[NH3+])c1C 18052649 167809432 /nfs/dbraw/zinc/80/94/32/167809432.db2.gz NFHRVFQYIGFFNZ-UHFFFAOYSA-N 1 0 167.256 1.021 50 0 in-vitro ADAARO CCn1nc(C)c([C@@H](C)[NH3+])c1C 6674606 167810001 /nfs/dbraw/zinc/81/00/01/167810001.db2.gz QKZKNPUAVZUVON-ZCFIWIBFSA-N 1 0 167.256 1.540 50 0 ADAARO C[NH+](C)C(C)(C)C 1672345 167828095 /nfs/dbraw/zinc/82/80/95/167828095.db2.gz OXQMIXBVXHWDPX-UHFFFAOYSA-N 1 0 101.193 1.347 50 0 in-vitro ADAARO C[NH+](C)C1(CN)CCCCCC1 32445545 167830162 /nfs/dbraw/zinc/83/01/62/167830162.db2.gz UTXQTTHRHVLYSZ-UHFFFAOYSA-N 1 0 170.300 1.600 50 0 in-vitro ADAARO C[NH+](C)C1Cc2ccccc2C1 27851221 167830339 /nfs/dbraw/zinc/83/03/39/167830339.db2.gz JHJKWSLLPQWCDF-UHFFFAOYSA-N 1 0 161.248 1.715 50 0 ADAARO C[NH+](C)C1CCC(=O)CC1 38665184 167830531 /nfs/dbraw/zinc/83/05/31/167830531.db2.gz LMBFUMXVHAJSNJ-UHFFFAOYSA-N 1 0 141.214 1.060 50 0 in-vitro ADAARO C[NH+](C)CC1(CO)CCCCC1 34479309 167831902 /nfs/dbraw/zinc/83/19/02/167831902.db2.gz JQQLKQYOHOXPND-UHFFFAOYSA-N 1 0 171.284 1.491 50 0 ADAARO C[NH+](C)CCCCCCO 1648956 167833118 /nfs/dbraw/zinc/83/31/18/167833118.db2.gz QCXNXRUTKSIZND-UHFFFAOYSA-N 1 0 145.246 1.101 50 0 in-vitro ADAARO C[NH+](C)CCCOc1cccc(N)c1 19731941 167835116 /nfs/dbraw/zinc/83/51/16/167835116.db2.gz HYNCMEQKRXCLEF-UHFFFAOYSA-N 1 0 194.278 1.599 50 0 ADAARO C[NH+](C)CCCNCc1ccco1 2518429 167835617 /nfs/dbraw/zinc/83/56/17/167835617.db2.gz KOVNXYDPPORAOF-UHFFFAOYSA-N 1 0 182.267 1.321 50 0 ADAARO C[NH+](C)CCCOC(=O)c1ccco1 1795827 167835790 /nfs/dbraw/zinc/83/57/90/167835790.db2.gz RYQWWAKLPRZUBT-UHFFFAOYSA-N 1 0 197.234 1.388 50 0 ADAARO C[NH+](C)CCc1ccccc1CO 95348382 167839300 /nfs/dbraw/zinc/83/93/00/167839300.db2.gz RGYKKEFGZYYWKS-UHFFFAOYSA-N 1 0 179.263 1.283 50 0 in-vitro ADAARO C[NH+](C)CC[C@@H](O)c1ccccc1 399624 167840597 /nfs/dbraw/zinc/84/05/97/167840597.db2.gz VELGOYBSKBKQFF-LLVKDONJSA-N 1 0 179.263 1.672 50 0 in-vitro ADAARO C[NH+](C)C[C@H]1CCCC[C@H]1O 4791859 167842133 /nfs/dbraw/zinc/84/21/33/167842133.db2.gz LBKGSNPSDIYPBE-RKDXNWHRSA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO C[NH+](C)C[C@H](O)c1ccccc1Cl 339066 167843308 /nfs/dbraw/zinc/84/33/08/167843308.db2.gz ASGSCOJHBJDWEV-JTQLQIEISA-N 1 0 199.681 1.935 50 0 ADAARO C[NH+](C)Cc1cccc(C=O)c1 19090151 167845171 /nfs/dbraw/zinc/84/51/71/167845171.db2.gz FHKTUGAQZLCFTP-UHFFFAOYSA-N 1 0 163.220 1.561 50 0 in-vitro ADAARO C[NH+](C)Cc1ccc[nH]1 1598242 167845365 /nfs/dbraw/zinc/84/53/65/167845365.db2.gz BJIDGKXFJLYGNA-UHFFFAOYSA-N 1 0 124.187 1.076 50 0 ADAARO C[NH+](C)CC1=CCC=C1 71603361 167845630 /nfs/dbraw/zinc/84/56/30/167845630.db2.gz XCUHTECHNIAAMA-UHFFFAOYSA-N 1 0 122.191 1.467 50 0 ADAARO C[NH+](C)Cc1ccc(O)cc1 4550911 167845748 /nfs/dbraw/zinc/84/57/48/167845748.db2.gz NFVPEIKDMMISQO-UHFFFAOYSA-N 1 0 151.209 1.454 50 0 ADAARO C[NH+](C)Cc1ccc(N)cc1Cl 20192736 167846171 /nfs/dbraw/zinc/84/61/71/167846171.db2.gz HJCJVQCBYAVWMG-UHFFFAOYSA-N 1 0 184.670 1.984 50 0 in-vitro ADAARO C[NH+](C)Cc1cc(F)ccc1N 35308440 167846640 /nfs/dbraw/zinc/84/66/40/167846640.db2.gz DWYJKNGANRTDTB-UHFFFAOYSA-N 1 0 168.215 1.470 50 0 ADAARO C[NH+](C)Cc1c[nH]c2ccc(N)cc12 2026790 167847037 /nfs/dbraw/zinc/84/70/37/167847037.db2.gz LXCLCCAAPPKYBS-UHFFFAOYSA-N 1 0 189.262 1.812 50 0 in-vitro ADAARO CN(C)[C@@H]1CCCC[C@H]1[NH+](C)C 19366764 167848980 /nfs/dbraw/zinc/84/89/80/167848980.db2.gz DVDGHRQOLYEZAE-NXEZZACHSA-N 1 0 170.300 1.421 50 0 in-vitro ADAARO C[NH+](C)[C@@H]1CNc2ccccc2C1 27750797 167849647 /nfs/dbraw/zinc/84/96/47/167849647.db2.gz KQHONNUXIWFFAC-JTQLQIEISA-N 1 0 176.263 1.585 50 0 ADAARO CN(C)[C@@H](C[NH3+])c1ccccc1F 19391529 167849769 /nfs/dbraw/zinc/84/97/69/167849769.db2.gz SHXWXJULVODFTN-JTQLQIEISA-N 1 0 182.242 1.387 50 0 in-vitro ADAARO C[NH+](C)[C@@H]1CCc2cc(N)ccc21 86731091 167850139 /nfs/dbraw/zinc/85/01/39/167850139.db2.gz GKSTVNAQNGYRAH-LLVKDONJSA-N 1 0 176.263 1.818 50 0 ADAARO CN(C)[C@H]1C[NH2+]C[C@@H]1c1ccccc1 205361437 167851722 /nfs/dbraw/zinc/85/17/22/167851722.db2.gz OVVDJVOZQBFYPR-NEPJUHHUSA-N 1 0 190.290 1.304 50 0 ADAARO CN(C)[C@H](C[NH3+])c1ccsc1 19260836 167851749 /nfs/dbraw/zinc/85/17/49/167851749.db2.gz JLSSIEXZXYNSOE-MRVPVSSYSA-N 1 0 170.281 1.310 50 0 ADAARO CN(C)c1ccc([C@@H]2C[C@H]2[NH3+])cc1 32006945 167855706 /nfs/dbraw/zinc/85/57/06/167855706.db2.gz RFXSQJLTKLMDQG-WDEREUQCSA-N 1 0 176.263 1.567 50 0 ADAARO CN(C)c1ccc(CC[NH3+])cc1 2598946 167856706 /nfs/dbraw/zinc/85/67/06/167856706.db2.gz BODSPBSIEGRURL-UHFFFAOYSA-N 1 0 164.252 1.254 50 0 in-vitro ADAARO CN(C1CCCCC1)[C@@H]1CC[NH2+]C1 31996671 167864710 /nfs/dbraw/zinc/86/47/10/167864710.db2.gz ZUXDHMIYCYMFRJ-LLVKDONJSA-N 1 0 182.311 1.613 50 0 ADAARO CN(CCC[NH3+])c1cccc(F)c1 20239243 167874456 /nfs/dbraw/zinc/87/44/56/167874456.db2.gz NTMBCZNLOZGZSK-UHFFFAOYSA-N 1 0 182.242 1.611 50 0 in-vitro ADAARO CN(CCC[NH3+])c1ccc(F)cc1 20239246 167875289 /nfs/dbraw/zinc/87/52/89/167875289.db2.gz VHTNCIQSNYWDHM-UHFFFAOYSA-N 1 0 182.242 1.611 50 0 in-vitro ADAARO CN(CC[NH3+])c1ccccc1 3889001 167878653 /nfs/dbraw/zinc/87/86/53/167878653.db2.gz GCGMQDJOIHALPF-UHFFFAOYSA-N 1 0 150.225 1.082 50 0 in-vitro ADAARO CN(Cc1ccc(F)cc1)C(N)=[NH2+] 15635616 167887261 /nfs/dbraw/zinc/88/72/61/167887261.db2.gz YZBMPKNPHBFJER-UHFFFAOYSA-N 1 0 181.214 1.151 50 0 in-vitro ADAARO CN(c1ccccc1)C1CC[NH2+]CC1 19470314 167893313 /nfs/dbraw/zinc/89/33/13/167893313.db2.gz BPNDZRDPOYGIMX-UHFFFAOYSA-N 1 0 190.290 1.875 50 0 in-vitro ADAARO CN1C(=O)[C@H](CC[NH3+])c2ccccc21 19703252 167897639 /nfs/dbraw/zinc/89/76/39/167897639.db2.gz VATRUKMROZDIMO-SECBINFHSA-N 1 0 190.246 1.095 50 0 biogenic ADAARO C[NH+]1CCC(C2(O)CCCC2)CC1 84344332 167900244 /nfs/dbraw/zinc/90/02/44/167900244.db2.gz IWROJYKAFZRHHR-UHFFFAOYSA-N 1 0 183.295 1.633 50 0 ADAARO CN1CC[NH+](C[C@H]2CC=CCC2)CC1 19634050 167915357 /nfs/dbraw/zinc/91/53/57/167915357.db2.gz MNSXGGSJCICUSF-LBPRGKRZSA-N 1 0 194.322 1.590 50 0 ADAARO CN1CC[C@@H]([NH3+])[C@H]1c1ccc(F)cc1 238854767 167924648 /nfs/dbraw/zinc/92/46/48/167924648.db2.gz PGLORIOSCWIJBZ-GHMZBOCLSA-N 1 0 194.253 1.530 50 0 in-vitro ADAARO CN1c2ccccc2[C@H]2C[NH2+]CC[C@@H]21 82319248 167945812 /nfs/dbraw/zinc/94/58/12/167945812.db2.gz JZNDLEDDYQQRAL-PWSUYJOCSA-N 1 0 188.274 1.582 50 0 ADAARO C[NH2+]C1CC(C)C1 87199634 167982491 /nfs/dbraw/zinc/98/24/91/167982491.db2.gz UGUBYDRVJOZWSK-UHFFFAOYSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO C[NH2+]C1C[C@H](C)O[C@@H](C)C1 96033676 167983491 /nfs/dbraw/zinc/98/34/91/167983491.db2.gz LTFZSDZHUIFZIZ-BQBZGAKWSA-N 1 0 143.230 1.162 50 0 ADAARO C[NH2+]CC(=O)Nc1ccc(Cl)cc1 3301008 167986983 /nfs/dbraw/zinc/98/69/83/167986983.db2.gz DWKKYQRDDXWJES-UHFFFAOYSA-N 1 0 198.653 1.498 50 0 in-vitro ADAARO C[NH2+]CC1CCC1 26510794 167989568 /nfs/dbraw/zinc/98/95/68/167989568.db2.gz DFDDLFCSYLTQBP-UHFFFAOYSA-N 1 0 99.177 1.006 50 0 in-vitro ADAARO C[NH2+]CC1(O)CCCCCC1 37719333 167991001 /nfs/dbraw/zinc/99/10/01/167991001.db2.gz MOOLCUJJTYOPDX-UHFFFAOYSA-N 1 0 157.257 1.291 50 0 in-vitro ADAARO C[NH2+]CCC(C)(C)C 35604927 167991368 /nfs/dbraw/zinc/99/13/68/167991368.db2.gz WAZBVLOECYSDDA-UHFFFAOYSA-N 1 0 115.220 1.642 50 0 in-vitro ADAARO C[NH2+]CCC1CC1 49730489 167991729 /nfs/dbraw/zinc/99/17/29/167991729.db2.gz ULELCQYQCBHXFY-UHFFFAOYSA-N 1 0 99.177 1.006 50 0 in-vitro ADAARO C[NH2+]CCCN(C)Cc1ccco1 42409547 167991897 /nfs/dbraw/zinc/99/18/97/167991897.db2.gz CSYVZQBVJXBCQN-UHFFFAOYSA-N 1 0 182.267 1.321 50 0 in-vitro ADAARO C[NH2+]CCC(C)C 2563393 167992020 /nfs/dbraw/zinc/99/20/20/167992020.db2.gz QSOCODZVGPDGDA-UHFFFAOYSA-N 1 0 101.193 1.252 50 0 in-vitro ADAARO C[NH2+]CCC(=O)c1ccccc1 1700288 167992069 /nfs/dbraw/zinc/99/20/69/167992069.db2.gz CAIKBWLFBLRPJU-UHFFFAOYSA-N 1 0 163.220 1.479 50 0 in-vitro ADAARO C[NH2+]CCCC(=O)c1cccnc1 2389593 167992098 /nfs/dbraw/zinc/99/20/98/167992098.db2.gz SGDIDUFQYHRMPR-UHFFFAOYSA-N 1 0 178.235 1.264 50 0 endogenous,in-man ADAARO C[NH2+]CCCC(=O)OC(C)(C)C 34361287 167992695 /nfs/dbraw/zinc/99/26/95/167992695.db2.gz ZXCSNMBUGDAUGE-UHFFFAOYSA-N 1 0 173.256 1.328 50 0 ADAARO C[NH2+]CCC(=O)c1cccs1 34116393 167993042 /nfs/dbraw/zinc/99/30/42/167993042.db2.gz SCZYZJNFEJZSAQ-UHFFFAOYSA-N 1 0 169.249 1.540 50 0 in-vitro ADAARO C[NH2+]CCCOc1cccc(C)c1 19094102 167993312 /nfs/dbraw/zinc/99/33/12/167993312.db2.gz YNHNOYSPXAZXSO-UHFFFAOYSA-N 1 0 179.263 1.983 50 0 in-vitro ADAARO C[NH2+]CCC[C@@H]1CCCO1 19090884 167993430 /nfs/dbraw/zinc/99/34/30/167993430.db2.gz SLKWAGFQOAXGGP-MRVPVSSYSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO C[NH2+]CCCOc1ccccc1OC 6679761 167993923 /nfs/dbraw/zinc/99/39/23/167993923.db2.gz NAEGOUYWCNHQGW-UHFFFAOYSA-N 1 0 195.262 1.684 50 0 in-vitro ADAARO C[NH2+]CCCOc1ccc(C)cc1 19094136 167994222 /nfs/dbraw/zinc/99/42/22/167994222.db2.gz CXCMQFLZQKLNQA-UHFFFAOYSA-N 1 0 179.263 1.983 50 0 in-vitro ADAARO C[NH2+]CCCc1c(C)n[nH]c1C 19088375 167994627 /nfs/dbraw/zinc/99/46/27/167994627.db2.gz BNTYGROVQTUQNE-UHFFFAOYSA-N 1 0 167.256 1.179 50 0 in-vitro ADAARO C[NH2+]CCCOCc1ccccc1 49900763 167994733 /nfs/dbraw/zinc/99/47/33/167994733.db2.gz DZDNRHCCFHRCOY-UHFFFAOYSA-N 1 0 179.263 1.813 50 0 in-vitro ADAARO C[NH2+]CCN(C)C1CCCCC1 20073163 167995335 /nfs/dbraw/zinc/99/53/35/167995335.db2.gz APHIKOCDGDGHIL-UHFFFAOYSA-N 1 0 170.300 1.470 50 0 in-vitro ADAARO C[NH2+]CCNc1ccccc1 21085424 167997178 /nfs/dbraw/zinc/99/71/78/167997178.db2.gz COCFQAQFBIRRKQ-UHFFFAOYSA-N 1 0 150.225 1.318 50 0 ADAARO C[NH2+]CCOc1ccc(F)cc1 4219079 167997452 /nfs/dbraw/zinc/99/74/52/167997452.db2.gz VZQSZMVYSMWEOC-UHFFFAOYSA-N 1 0 169.199 1.424 50 0 in-vitro ADAARO C[NH2+]CCOCc1ccccc1 1700377 167998244 /nfs/dbraw/zinc/99/82/44/167998244.db2.gz SXTMQFFVVICKDI-UHFFFAOYSA-N 1 0 165.236 1.423 50 0 in-vitro ADAARO C[NH2+]CCOC(C)(C)C 2507601 167998493 /nfs/dbraw/zinc/99/84/93/167998493.db2.gz RCESGBQILBSYQG-UHFFFAOYSA-N 1 0 131.219 1.021 50 0 in-vitro ADAARO C[NH2+]CCOc1ccc(C)cc1 4219077 167998854 /nfs/dbraw/zinc/99/88/54/167998854.db2.gz OPRIBHSVYMOUOG-UHFFFAOYSA-N 1 0 165.236 1.593 50 0 in-vitro ADAARO C[NH2+]CC[C@H](O)c1cccs1 14982906 167999840 /nfs/dbraw/zinc/99/98/40/167999840.db2.gz YEJVVFOJMOHFRL-ZETCQYMHSA-N 1 0 171.265 1.391 50 0 in-vitro ADAARO C[NH2+]CCc1c(C)noc1C 9306172 168000171 /nfs/dbraw/zinc/00/01/71/168000171.db2.gz WYNOJPSYWAUXIE-UHFFFAOYSA-N 1 0 154.213 1.053 50 0 ADAARO C[NH2+]CCc1c[nH]c2ccccc12 1995685 168000200 /nfs/dbraw/zinc/00/02/00/168000200.db2.gz NCIKQJBVUNUXLW-UHFFFAOYSA-N 1 0 174.247 1.930 50 0 in-man,metabolite ADAARO C[NH2+]CC[C@H]1CCCOC1 82839477 168000334 /nfs/dbraw/zinc/00/03/34/168000334.db2.gz RMHIGXCFQIFJGY-MRVPVSSYSA-N 1 0 143.230 1.023 50 0 ADAARO C[NH2+]CCc1c[nH]c2ccc(O)cc12 1592424 168000360 /nfs/dbraw/zinc/00/03/60/168000360.db2.gz ASUSBMNYRHGZIG-UHFFFAOYSA-N 1 0 190.246 1.635 50 0 endogenous,in-man ADAARO C[NH2+]CCc1c[nH]c2cccc(O)c12 75579846 168000466 /nfs/dbraw/zinc/00/04/66/168000466.db2.gz MTJOWJUQGYWRHT-UHFFFAOYSA-N 1 0 190.246 1.635 50 0 ADAARO C[NH2+]CC[C@@H](O)c1ccccc1 2568275 168000561 /nfs/dbraw/zinc/00/05/61/168000561.db2.gz XXSDCGNHLFVSET-SNVBAGLBSA-N 1 0 165.236 1.330 50 0 in-vitro ADAARO C[NH2+]CCc1ccc(O)cc1 1529432 168001000 /nfs/dbraw/zinc/00/10/00/168001000.db2.gz AXVZFRBSCNEKPQ-UHFFFAOYSA-N 1 0 151.209 1.154 50 0 endogenous,in-man ADAARO C[NH2+]CCc1cccc(O)c1 3608877 168001028 /nfs/dbraw/zinc/00/10/28/168001028.db2.gz ZEWFJYYLEOBCNY-UHFFFAOYSA-N 1 0 151.209 1.154 50 0 ADAARO C[NH2+]CCc1ccc2c(c1)OCO2 1846204 168001194 /nfs/dbraw/zinc/00/11/94/168001194.db2.gz OPJOMVMFYOUDPK-UHFFFAOYSA-N 1 0 179.219 1.177 50 0 in-man ADAARO C[NH2+]CCc1cccc(OC)c1 5996385 168001199 /nfs/dbraw/zinc/00/11/99/168001199.db2.gz MCGDBHZRFQKLBT-UHFFFAOYSA-N 1 0 165.236 1.457 50 0 in-vitro ADAARO C[NH2+]CCc1nc2c(C)cccc2[nH]1 15635475 168001209 /nfs/dbraw/zinc/00/12/09/168001209.db2.gz LFARBAVQYFZEMY-UHFFFAOYSA-N 1 0 189.262 1.633 50 0 ADAARO C[NH2+]CCc1ccccc1C 19738124 168001275 /nfs/dbraw/zinc/00/12/75/168001275.db2.gz JOFBJXRAJMVOGU-UHFFFAOYSA-N 1 0 149.237 1.757 50 0 in-vitro ADAARO C[NH2+]CCc1cccc(C)c1 36154422 168001340 /nfs/dbraw/zinc/00/13/40/168001340.db2.gz CCKKJKNZCZIBJP-UHFFFAOYSA-N 1 0 149.237 1.757 50 0 in-vitro ADAARO C[NH2+]CCc1cccc(F)c1 36154429 168001424 /nfs/dbraw/zinc/00/14/24/168001424.db2.gz RDKFMYLRDJVSJU-UHFFFAOYSA-N 1 0 153.200 1.588 50 0 in-vitro ADAARO C[NH2+]CCc1ccc(O)c(OC)c1 14488424 168001532 /nfs/dbraw/zinc/00/15/32/168001532.db2.gz VGPSEFMDUHBQNN-UHFFFAOYSA-N 1 0 181.235 1.163 50 0 ADAARO C[NH2+]CCc1ccccc1 1706738 168001536 /nfs/dbraw/zinc/00/15/36/168001536.db2.gz SASNBVQSOZSTPD-UHFFFAOYSA-N 1 0 135.210 1.449 50 0 in-vitro ADAARO C[NH2+]CCc1ccc(OC)c(OC)c1 1713157 168001690 /nfs/dbraw/zinc/00/16/90/168001690.db2.gz HNJWKRMESUMDQE-UHFFFAOYSA-N 1 0 195.262 1.466 50 0 in-vitro ADAARO C[NH2+]CCc1ccc(OC)cc1 5996383 168001694 /nfs/dbraw/zinc/00/16/94/168001694.db2.gz JCMWSVNNSPUNER-UHFFFAOYSA-N 1 0 165.236 1.457 50 0 biogenic,in-vitro ADAARO C[NH2+]CCc1ccc(F)cc1F 53301964 168001724 /nfs/dbraw/zinc/00/17/24/168001724.db2.gz CPSGCGTYALHMRF-UHFFFAOYSA-N 1 0 171.190 1.727 50 0 ADAARO C[NH2+]CCc1ccccc1O 71485119 168001866 /nfs/dbraw/zinc/00/18/66/168001866.db2.gz RZPBKCYWYVZAOJ-UHFFFAOYSA-N 1 0 151.209 1.154 50 0 ADAARO C[NH2+]CCc1ccc(C)cc1 36154426 168001881 /nfs/dbraw/zinc/00/18/81/168001881.db2.gz ZTXWGLLWOCJFOW-UHFFFAOYSA-N 1 0 149.237 1.757 50 0 in-vitro ADAARO C[NH2+]CCc1cccs1 1593005 168001907 /nfs/dbraw/zinc/00/19/07/168001907.db2.gz IKSCPAWBLQEUAG-UHFFFAOYSA-N 1 0 141.239 1.510 50 0 ADAARO C[NH2+]CCc1ccccc1OC 11755859 168002124 /nfs/dbraw/zinc/00/21/24/168002124.db2.gz UCAUHTUMXIYKFJ-UHFFFAOYSA-N 1 0 165.236 1.457 50 0 in-vitro ADAARO C[NH2+]CCc1ccccc1F 20047588 168002140 /nfs/dbraw/zinc/00/21/40/168002140.db2.gz VGGRQNLAMNVBOA-UHFFFAOYSA-N 1 0 153.200 1.588 50 0 in-vitro ADAARO C[NH2+]CCc1ccc(F)cc1 5996382 168002192 /nfs/dbraw/zinc/00/21/92/168002192.db2.gz NCBPDSPIVAMJIT-UHFFFAOYSA-N 1 0 153.200 1.588 50 0 in-vitro ADAARO C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C 71624179 168002768 /nfs/dbraw/zinc/00/27/68/168002768.db2.gz LKEWKAVKGVXBTD-SSDOTTSWSA-N 1 0 188.271 1.119 50 0 in-vitro ADAARO C[NH2+]CCn1cnc2ccccc21 10382566 168002869 /nfs/dbraw/zinc/00/28/69/168002869.db2.gz MTRUYNRSNFSQND-UHFFFAOYSA-N 1 0 175.235 1.256 50 0 ADAARO C[NH2+]CCc1nc2ccccc2[nH]1 19088945 168002879 /nfs/dbraw/zinc/00/28/79/168002879.db2.gz YSZSYTFOKMFEAG-UHFFFAOYSA-N 1 0 175.235 1.325 50 0 ADAARO C[NH2+]CCc1ncc(C)s1 54158985 168002904 /nfs/dbraw/zinc/00/29/04/168002904.db2.gz GWBYVCQMSSUWHW-UHFFFAOYSA-N 1 0 156.254 1.213 50 0 in-vitro ADAARO C[NH2+]CCc1nc2cc(F)ccc2[nH]1 19088954 168003047 /nfs/dbraw/zinc/00/30/47/168003047.db2.gz MESKRXUBBFGAKG-UHFFFAOYSA-N 1 0 193.225 1.464 50 0 in-vitro ADAARO C[NH2+]CCn1ccc2ccccc21 2696282 168003259 /nfs/dbraw/zinc/00/32/59/168003259.db2.gz UQUBPLJUCVWGOX-UHFFFAOYSA-N 1 0 174.247 1.861 50 0 in-vitro ADAARO C[NH2+]CCc1scnc1C 19093481 168003572 /nfs/dbraw/zinc/00/35/72/168003572.db2.gz QUGIPZIKYUZUKS-UHFFFAOYSA-N 1 0 156.254 1.213 50 0 ADAARO C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C 47219131 168003927 /nfs/dbraw/zinc/00/39/27/168003927.db2.gz SNKRWGQETPKBAQ-SSDOTTSWSA-N 1 0 173.256 1.184 50 0 in-vitro ADAARO C[NH2+]C[C@@H](C)C(C)C 52971108 168004025 /nfs/dbraw/zinc/00/40/25/168004025.db2.gz PFBNAEQQRUNIFH-SSDOTTSWSA-N 1 0 115.220 1.498 50 0 ADAARO C[NH2+]C[C@@H](O)c1c[nH]c2ccccc12 2008723 168004667 /nfs/dbraw/zinc/00/46/67/168004667.db2.gz FLDZGFXKYUCKRH-LLVKDONJSA-N 1 0 190.246 1.421 50 0 ADAARO C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 11802948 168005269 /nfs/dbraw/zinc/00/52/69/168005269.db2.gz PRHFCODVVHEZRP-SECBINFHSA-N 1 0 185.654 1.593 50 0 ADAARO C[NH2+]C[C@@H](O)c1cc2ccccc2o1 38386885 168005531 /nfs/dbraw/zinc/00/55/31/168005531.db2.gz HYWGNLXCGXQGDV-SECBINFHSA-N 1 0 191.230 1.686 50 0 ADAARO C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 37871882 168005746 /nfs/dbraw/zinc/00/57/46/168005746.db2.gz JYGAKLIZCLELQR-SECBINFHSA-N 1 0 187.189 1.218 50 0 ADAARO C[NH2+]C[C@@H](C)Oc1ccccc1OC 19738120 168005943 /nfs/dbraw/zinc/00/59/43/168005943.db2.gz HOMLYHFLPRVBPD-SECBINFHSA-N 1 0 195.262 1.682 50 0 ADAARO C[NH2+]C[C@@H](O)c1ccc(F)cc1 11802925 168006541 /nfs/dbraw/zinc/00/65/41/168006541.db2.gz IOZLGDJGPLSIHZ-SECBINFHSA-N 1 0 169.199 1.079 50 0 in-vitro ADAARO C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 11892116 168006602 /nfs/dbraw/zinc/00/66/02/168006602.db2.gz SANIGXYLRPTFNH-NSHDSACASA-N 1 0 190.290 1.732 50 0 in-vitro ADAARO C[NH2+]C[C@@H](O)c1cccc(Cl)c1 11802944 168007289 /nfs/dbraw/zinc/00/72/89/168007289.db2.gz SWKJHTPWMPMNGP-SECBINFHSA-N 1 0 185.654 1.593 50 0 ADAARO C[NH2+]C[C@@H](O)c1cccs1 11802907 168007297 /nfs/dbraw/zinc/00/72/97/168007297.db2.gz XTHAXDJGOOPGGX-ZCFIWIBFSA-N 1 0 157.238 1.001 50 0 in-vitro ADAARO C[NH2+]C[C@@H](O)c1ccccc1Cl 11802941 168007393 /nfs/dbraw/zinc/00/73/93/168007393.db2.gz WONAGMZQFMXFPH-SECBINFHSA-N 1 0 185.654 1.593 50 0 ADAARO C[NH2+]C[C@@H]1CC1(C)C 42383705 168007932 /nfs/dbraw/zinc/00/79/32/168007932.db2.gz DEYFGXAJBCGHEC-LURJTMIESA-N 1 0 113.204 1.252 50 0 in-vitro ADAARO C[NH2+]C[C@@H](O)c1ccc2cc[nH]c2c1 185685 168008025 /nfs/dbraw/zinc/00/80/25/168008025.db2.gz LFZQSMDZUQQWEP-LLVKDONJSA-N 1 0 190.246 1.421 50 0 biogenic ADAARO C[NH2+]C[C@H](C)C(C)C 52971105 168008588 /nfs/dbraw/zinc/00/85/88/168008588.db2.gz PFBNAEQQRUNIFH-ZETCQYMHSA-N 1 0 115.220 1.498 50 0 ADAARO C[NH2+]C[C@@H]1Cc2ccccc2O1 5700620 168009128 /nfs/dbraw/zinc/00/91/28/168009128.db2.gz XVGKHRKVBNBRDF-VIFPVBQESA-N 1 0 163.220 1.210 50 0 in-vitro ADAARO C[NH2+]C[C@@H]1COc2ccccc2O1 3684680 168009284 /nfs/dbraw/zinc/00/92/84/168009284.db2.gz RPZMFKMYOVWSQN-MRVPVSSYSA-N 1 0 179.219 1.046 50 0 in-vitro ADAARO C[NH2+]C[C@@H]1CCc2ccccc21 34373685 168009596 /nfs/dbraw/zinc/00/95/96/168009596.db2.gz UYOFJPBVHUOLKL-JTQLQIEISA-N 1 0 161.248 1.936 50 0 ADAARO C[NH2+]C[C@@](C)(O)c1ccccc1 1321394 168009906 /nfs/dbraw/zinc/00/99/06/168009906.db2.gz NZHZQFHWJAOLGB-SNVBAGLBSA-N 1 0 165.236 1.114 50 0 in-vitro ADAARO C[NH2+]C[C@@H]1Cc2ccccc2CO1 90394388 168010072 /nfs/dbraw/zinc/01/00/72/168010072.db2.gz GTICDLPBHJLWOH-NSHDSACASA-N 1 0 177.247 1.347 50 0 ADAARO C[NH2+]C[C@@H]1Cc2ccccc2CN1C 23093523 168010091 /nfs/dbraw/zinc/01/00/91/168010091.db2.gz MBGXCFYVIPXKLY-LBPRGKRZSA-N 1 0 190.290 1.263 50 0 in-vitro ADAARO C[NH2+]C[C@@]1(O)CCc2ccccc21 55027322 168010114 /nfs/dbraw/zinc/01/01/14/168010114.db2.gz IAAMIQKECKWDPE-NSHDSACASA-N 1 0 177.247 1.040 50 0 ADAARO C[NH2+]C[C@H](C)C(=O)OC(C)(C)C 47219130 168010115 /nfs/dbraw/zinc/01/01/15/168010115.db2.gz SNKRWGQETPKBAQ-ZETCQYMHSA-N 1 0 173.256 1.184 50 0 in-vitro ADAARO C[NH2+]C[C@@H]1OCCc2ccccc21 290140 168010160 /nfs/dbraw/zinc/01/01/60/168010160.db2.gz QRTWLBGCEOIIBF-NSHDSACASA-N 1 0 177.247 1.520 50 0 biogenic,in-vitro ADAARO C[NH2+]C[C@H](O)c1c[nH]c2ccccc12 2008722 168010803 /nfs/dbraw/zinc/01/08/03/168010803.db2.gz FLDZGFXKYUCKRH-NSHDSACASA-N 1 0 190.246 1.421 50 0 ADAARO C[NH2+]C[C@H](C)Oc1ccccc1OC 19738121 168010838 /nfs/dbraw/zinc/01/08/38/168010838.db2.gz HOMLYHFLPRVBPD-VIFPVBQESA-N 1 0 195.262 1.682 50 0 ADAARO C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C 11593823 168010930 /nfs/dbraw/zinc/01/09/30/168010930.db2.gz LKEWKAVKGVXBTD-ZETCQYMHSA-N 1 0 188.271 1.119 50 0 in-vitro ADAARO C[NH2+]C[C@H](O)c1ccc2cc[nH]c2c1 185679 168011980 /nfs/dbraw/zinc/01/19/80/168011980.db2.gz LFZQSMDZUQQWEP-NSHDSACASA-N 1 0 190.246 1.421 50 0 biogenic ADAARO C[NH2+]C[C@H](O)c1cccc(Cl)c1 11802946 168012054 /nfs/dbraw/zinc/01/20/54/168012054.db2.gz SWKJHTPWMPMNGP-VIFPVBQESA-N 1 0 185.654 1.593 50 0 ADAARO C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 37871881 168012076 /nfs/dbraw/zinc/01/20/76/168012076.db2.gz JYGAKLIZCLELQR-VIFPVBQESA-N 1 0 187.189 1.218 50 0 ADAARO C[NH2+]C[C@H]1CC1(C)C 42383698 168012280 /nfs/dbraw/zinc/01/22/80/168012280.db2.gz DEYFGXAJBCGHEC-ZCFIWIBFSA-N 1 0 113.204 1.252 50 0 in-vitro ADAARO C[NH2+]C[C@H](O)c1ccc(Cl)cc1 11802950 168012367 /nfs/dbraw/zinc/01/23/67/168012367.db2.gz PRHFCODVVHEZRP-VIFPVBQESA-N 1 0 185.654 1.593 50 0 ADAARO C[NH2+]C[C@H](O)c1cc2ccccc2o1 38409888 168012891 /nfs/dbraw/zinc/01/28/91/168012891.db2.gz HYWGNLXCGXQGDV-VIFPVBQESA-N 1 0 191.230 1.686 50 0 ADAARO C[NH2+]C[C@H](O)c1ccc(F)cc1 11802927 168013042 /nfs/dbraw/zinc/01/30/42/168013042.db2.gz IOZLGDJGPLSIHZ-VIFPVBQESA-N 1 0 169.199 1.079 50 0 in-vitro ADAARO C[NH2+]C[C@H](O)c1ccccc1Cl 11802942 168013073 /nfs/dbraw/zinc/01/30/73/168013073.db2.gz WONAGMZQFMXFPH-VIFPVBQESA-N 1 0 185.654 1.593 50 0 ADAARO C[NH2+]C[C@H](O)c1cccs1 11802909 168013146 /nfs/dbraw/zinc/01/31/46/168013146.db2.gz XTHAXDJGOOPGGX-LURJTMIESA-N 1 0 157.238 1.001 50 0 in-vitro ADAARO C[NH2+]C[C@H]1CCc2ccccc21 34373687 168013685 /nfs/dbraw/zinc/01/36/85/168013685.db2.gz UYOFJPBVHUOLKL-SNVBAGLBSA-N 1 0 161.248 1.936 50 0 ADAARO C[NH2+]C[C@](C)(O)c1ccccc1 518104 168013724 /nfs/dbraw/zinc/01/37/24/168013724.db2.gz NZHZQFHWJAOLGB-JTQLQIEISA-N 1 0 165.236 1.114 50 0 biogenic,in-vitro ADAARO C[NH2+]C[C@H]1OCCc2ccccc21 290142 168013737 /nfs/dbraw/zinc/01/37/37/168013737.db2.gz QRTWLBGCEOIIBF-LLVKDONJSA-N 1 0 177.247 1.520 50 0 biogenic,in-vitro ADAARO C[NH2+]C[Si](C)(C)C 196072983 168013837 /nfs/dbraw/zinc/01/38/37/168013837.db2.gz VLSFITLAADJYOS-UHFFFAOYSA-N 1 0 117.268 1.083 50 0 ADAARO C[NH2+]C[C@H]1Cc2ccccc2CO1 90394390 168013911 /nfs/dbraw/zinc/01/39/11/168013911.db2.gz GTICDLPBHJLWOH-LLVKDONJSA-N 1 0 177.247 1.347 50 0 ADAARO C[NH2+]C[C@H]1Cc2ccccc2O1 5700640 168013951 /nfs/dbraw/zinc/01/39/51/168013951.db2.gz XVGKHRKVBNBRDF-SECBINFHSA-N 1 0 163.220 1.210 50 0 in-vitro ADAARO C[NH2+]C[C@H]1Cc2ccccc2CN1C 23093525 168014148 /nfs/dbraw/zinc/01/41/48/168014148.db2.gz MBGXCFYVIPXKLY-GFCCVEGCSA-N 1 0 190.290 1.263 50 0 in-vitro ADAARO C[NH2+]Cc1c(C)cc(C)nc1OC 51523708 168014153 /nfs/dbraw/zinc/01/41/53/168014153.db2.gz ADOFWGXPOGRPBS-UHFFFAOYSA-N 1 0 180.251 1.426 50 0 ADAARO C[NH2+]C[C@H]1COc2ccccc2O1 3684679 168014205 /nfs/dbraw/zinc/01/42/05/168014205.db2.gz RPZMFKMYOVWSQN-QMMMGPOBSA-N 1 0 179.219 1.046 50 0 in-vitro ADAARO C[NH2+]C[C@]1(O)CCc2ccccc21 55027321 168014442 /nfs/dbraw/zinc/01/44/42/168014442.db2.gz IAAMIQKECKWDPE-LLVKDONJSA-N 1 0 177.247 1.040 50 0 ADAARO C[NH2+]C[C@H]1CCN(c2ccccc2)C1 11892118 168014895 /nfs/dbraw/zinc/01/48/95/168014895.db2.gz SANIGXYLRPTFNH-LLVKDONJSA-N 1 0 190.290 1.732 50 0 in-vitro ADAARO C[NH2+]Cc1cc(OC)c(OC)cc1C 4206001 168015142 /nfs/dbraw/zinc/01/51/42/168015142.db2.gz VLOLJNKZQYLVIB-UHFFFAOYSA-N 1 0 195.262 1.732 50 0 in-vitro ADAARO C[NH2+]Cc1cc2ccccc2[nH]c1=O 5196857 168015163 /nfs/dbraw/zinc/01/51/63/168015163.db2.gz YIJVJGWRUKLUSL-UHFFFAOYSA-N 1 0 188.230 1.660 50 0 ADAARO C[NH2+]Cc1cc(-c2ccncc2)no1 19089227 168015173 /nfs/dbraw/zinc/01/51/73/168015173.db2.gz USKLBLSFZPUWTR-UHFFFAOYSA-N 1 0 189.218 1.456 50 0 in-vitro ADAARO C[NH2+]Cc1cc2ccccc2[nH]1 16941576 168015187 /nfs/dbraw/zinc/01/51/87/168015187.db2.gz RDIZNKNSMGEKKE-UHFFFAOYSA-N 1 0 160.220 1.887 50 0 in-vitro ADAARO C[NH2+]Cc1cc(OC)ccc1OC 11920622 168015213 /nfs/dbraw/zinc/01/52/13/168015213.db2.gz HRHKLVYTRSJMSG-UHFFFAOYSA-N 1 0 181.235 1.423 50 0 in-vitro ADAARO C[NH2+]Cc1cc(-c2ccco2)on1 5177630 168015224 /nfs/dbraw/zinc/01/52/24/168015224.db2.gz CQBVGZVXQOWFHV-UHFFFAOYSA-N 1 0 178.191 1.654 50 0 in-vitro ADAARO C[NH2+]Cc1cc(F)cc2c1OCOC2 32627352 168015314 /nfs/dbraw/zinc/01/53/14/168015314.db2.gz HOFNNXXLCHBBKF-UHFFFAOYSA-N 1 0 197.209 1.412 50 0 ADAARO C[NH2+]Cc1cc(C(F)(F)F)nn1C 72209736 168015323 /nfs/dbraw/zinc/01/53/23/168015323.db2.gz GPBKXVITHRVAGL-UHFFFAOYSA-N 1 0 193.172 1.158 50 0 ADAARO C[NH2+]Cc1cc(C(C)C)on1 35655537 168015327 /nfs/dbraw/zinc/01/53/27/168015327.db2.gz ULKUMIYKNMTEQS-UHFFFAOYSA-N 1 0 154.213 1.517 50 0 ADAARO C[NH2+]Cc1c(F)cccc1F 22216945 168015354 /nfs/dbraw/zinc/01/53/54/168015354.db2.gz XPBNFWNPKIKOPU-UHFFFAOYSA-N 1 0 157.163 1.684 50 0 in-vitro ADAARO C[NH2+]Cc1c(C)nc2ccccn12 4262688 168015415 /nfs/dbraw/zinc/01/54/15/168015415.db2.gz RDOSBGVNNQNNAV-UHFFFAOYSA-N 1 0 175.235 1.362 50 0 ADAARO C[NH2+]Cc1cc(C2CC2)on1 35655538 168015421 /nfs/dbraw/zinc/01/54/21/168015421.db2.gz MVFZPZKRCBMBJU-UHFFFAOYSA-N 1 0 152.197 1.271 50 0 in-vitro ADAARO C[NH2+]Cc1cc(C2CC2)n[nH]1 40457344 168015468 /nfs/dbraw/zinc/01/54/68/168015468.db2.gz DLFXPNWNGBVXPJ-UHFFFAOYSA-N 1 0 151.213 1.007 50 0 in-vitro ADAARO C[NH2+]Cc1cc2ccccc2n1C 9239719 168015578 /nfs/dbraw/zinc/01/55/78/168015578.db2.gz BMINWSYCLTUQSH-UHFFFAOYSA-N 1 0 174.247 1.898 50 0 ADAARO C[NH2+]Cc1c(OC)cccc1OC 36947805 168015676 /nfs/dbraw/zinc/01/56/76/168015676.db2.gz CXDBCUUFCOEENZ-UHFFFAOYSA-N 1 0 181.235 1.423 50 0 ADAARO C[NH2+]Cc1cc(C)cs1 12370201 168015682 /nfs/dbraw/zinc/01/56/82/168015682.db2.gz JICZWIQRPDVYNI-UHFFFAOYSA-N 1 0 141.239 1.776 50 0 in-vitro ADAARO C[NH2+]Cc1c(C)nc2sc(C)cn12 7943190 168015778 /nfs/dbraw/zinc/01/57/78/168015778.db2.gz KDICPAWTSPTPGI-UHFFFAOYSA-N 1 0 195.291 1.732 50 0 in-vitro ADAARO C[NH2+]Cc1cc2cc(OC)ccc2[nH]1 5914167 168015857 /nfs/dbraw/zinc/01/58/57/168015857.db2.gz ADUALTRHQFEHPX-UHFFFAOYSA-N 1 0 190.246 1.896 50 0 ADAARO C[NH2+]Cc1c(C)nn(C(C)C)c1C 19089143 168015874 /nfs/dbraw/zinc/01/58/74/168015874.db2.gz NGQAVIYYCCTQAU-UHFFFAOYSA-N 1 0 181.283 1.800 50 0 in-vitro ADAARO C[NH2+]Cc1cc(C)cc(C)n1 20418234 168015892 /nfs/dbraw/zinc/01/58/92/168015892.db2.gz MQGQSYIDZBFYSU-UHFFFAOYSA-N 1 0 150.225 1.418 50 0 ADAARO C[NH2+]Cc1cc(-c2cccs2)n[nH]1 40457342 168015937 /nfs/dbraw/zinc/01/59/37/168015937.db2.gz MPFYRESLIJSFPG-UHFFFAOYSA-N 1 0 193.275 1.858 50 0 ADAARO C[NH2+]Cc1cc(F)c(F)c(F)c1 62705430 168015998 /nfs/dbraw/zinc/01/59/98/168015998.db2.gz FTKFLJLKMQIDRI-UHFFFAOYSA-N 1 0 175.153 1.823 50 0 in-vitro ADAARO C[NH2+]Cc1cc(F)ccc1C 62665592 168016010 /nfs/dbraw/zinc/01/60/10/168016010.db2.gz YZCMFTBGNNGIAL-UHFFFAOYSA-N 1 0 153.200 1.854 50 0 in-vitro ADAARO C[NH2+]Cc1cc(C)c(O)c(C)c1 26515642 168016056 /nfs/dbraw/zinc/01/60/56/168016056.db2.gz VPQBWWFJPZAKNW-UHFFFAOYSA-N 1 0 165.236 1.728 50 0 ADAARO C[NH2+]Cc1cc(OC)cc(OC)c1 2563755 168016087 /nfs/dbraw/zinc/01/60/87/168016087.db2.gz AZLYFFWKOFXIRJ-UHFFFAOYSA-N 1 0 181.235 1.423 50 0 in-vitro ADAARO C[NH2+]Cc1cc(F)ccc1OC 37225720 168016249 /nfs/dbraw/zinc/01/62/49/168016249.db2.gz OVZWLWZMLHOFFU-UHFFFAOYSA-N 1 0 169.199 1.554 50 0 ADAARO C[NH2+]Cc1cc(C)ccc1F 38071650 168016361 /nfs/dbraw/zinc/01/63/61/168016361.db2.gz KAPVWMXZZHHDSR-UHFFFAOYSA-N 1 0 153.200 1.854 50 0 in-vitro ADAARO C[NH2+]Cc1cc(C(C)(C)C)n[nH]1 40457343 168016367 /nfs/dbraw/zinc/01/63/67/168016367.db2.gz MYYUMKAFXSOSGU-UHFFFAOYSA-N 1 0 167.256 1.427 50 0 in-vitro ADAARO C[NH2+]Cc1cc(C)ccc1OC 4207156 168016415 /nfs/dbraw/zinc/01/64/15/168016415.db2.gz IGPRRNIFQCPZDU-UHFFFAOYSA-N 1 0 165.236 1.723 50 0 in-vitro ADAARO C[NH2+]Cc1cc(F)cc(F)c1 6481828 168016444 /nfs/dbraw/zinc/01/64/44/168016444.db2.gz PAVCYIWPONYGCE-UHFFFAOYSA-N 1 0 157.163 1.684 50 0 in-vitro ADAARO C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 14807380 168016462 /nfs/dbraw/zinc/01/64/62/168016462.db2.gz DZKXCPRBGCYVCH-UHFFFAOYSA-N 1 0 187.246 1.796 50 0 in-vitro ADAARO C[NH2+]Cc1cc(=O)[nH]c2ccccc12 9010440 168016470 /nfs/dbraw/zinc/01/64/70/168016470.db2.gz OWJYWDRFQHCJEO-UHFFFAOYSA-N 1 0 188.230 1.660 50 0 in-vitro ADAARO C[NH2+]Cc1cc(Cl)ccn1 83268940 168016626 /nfs/dbraw/zinc/01/66/26/168016626.db2.gz IJVFBZXCXLCBFD-UHFFFAOYSA-N 1 0 156.616 1.454 50 0 ADAARO C[NH2+]Cc1c(C)noc1C 20252771 168016651 /nfs/dbraw/zinc/01/66/51/168016651.db2.gz KUSBHINLXPYBKU-UHFFFAOYSA-N 1 0 140.186 1.011 50 0 in-vitro ADAARO C[NH2+]Cc1c(C)nn(C)c1Cl 40538464 168016671 /nfs/dbraw/zinc/01/66/71/168016671.db2.gz QVIFITUPYDGJSJ-UHFFFAOYSA-N 1 0 173.647 1.101 50 0 ADAARO C[NH2+]Cc1cc(Cl)c[nH]1 78210636 168016699 /nfs/dbraw/zinc/01/66/99/168016699.db2.gz YAKGHXAOCKQIGY-UHFFFAOYSA-N 1 0 144.605 1.388 50 0 in-vitro ADAARO C[NH2+]Cc1c[nH]c2ccc(OC)cc12 39188907 168016751 /nfs/dbraw/zinc/01/67/51/168016751.db2.gz MWSAGBGXUSDPLL-UHFFFAOYSA-N 1 0 190.246 1.896 50 0 biogenic ADAARO C[NH2+]Cc1cc2sccc2n1C 4271676 168016838 /nfs/dbraw/zinc/01/68/38/168016838.db2.gz FBVGJRQUPRKJPU-UHFFFAOYSA-N 1 0 180.276 1.959 50 0 in-vitro ADAARO C[NH2+]Cc1c[nH]c2ncccc12 82850320 168016842 /nfs/dbraw/zinc/01/68/42/168016842.db2.gz YUIAYADFXZIUAJ-UHFFFAOYSA-N 1 0 161.208 1.282 50 0 ADAARO C[NH2+]Cc1cc(-c2cccnc2)no1 19089224 168016881 /nfs/dbraw/zinc/01/68/81/168016881.db2.gz YMWXTMATHLCGJC-UHFFFAOYSA-N 1 0 189.218 1.456 50 0 in-vitro ADAARO C[NH2+]Cc1cc(C(C)C)no1 34928903 168016957 /nfs/dbraw/zinc/01/69/57/168016957.db2.gz BYGUSSATSGHWCD-UHFFFAOYSA-N 1 0 154.213 1.517 50 0 in-vitro ADAARO C[NH2+]Cc1c[nH]c2ccccc12 3887874 168017002 /nfs/dbraw/zinc/01/70/02/168017002.db2.gz BIFJNBXQXNWYOL-UHFFFAOYSA-N 1 0 160.220 1.887 50 0 endogenous,in-man ADAARO C[NH2+]Cc1cc(C(=O)OC)c(C)o1 7975023 168017007 /nfs/dbraw/zinc/01/70/07/168017007.db2.gz LOZWOMFAHQNHAN-UHFFFAOYSA-N 1 0 183.207 1.094 50 0 in-vitro ADAARO C[NH2+]Cc1c(C)nc2sccn12 37184175 168017050 /nfs/dbraw/zinc/01/70/50/168017050.db2.gz ZWLKNZOOHYCFSQ-UHFFFAOYSA-N 1 0 181.264 1.424 50 0 in-vitro ADAARO C[NH2+]Cc1cc(Cl)cn1C 74942025 168017056 /nfs/dbraw/zinc/01/70/56/168017056.db2.gz HCMHYFKFSCWPLX-UHFFFAOYSA-N 1 0 158.632 1.398 50 0 in-vitro ADAARO C[NH2+]Cc1cc(-c2ccccn2)no1 19089221 168017076 /nfs/dbraw/zinc/01/70/76/168017076.db2.gz YZHJKDVETOQDHE-UHFFFAOYSA-N 1 0 189.218 1.456 50 0 ADAARO C[NH2+]Cc1cc(F)c(F)cc1F 83340211 168017171 /nfs/dbraw/zinc/01/71/71/168017171.db2.gz SLTJGGCEWOWQNU-UHFFFAOYSA-N 1 0 175.153 1.823 50 0 ADAARO C[NH2+]Cc1cc(C)ccn1 20357694 168017179 /nfs/dbraw/zinc/01/71/79/168017179.db2.gz MFGOBEMQKQQRKT-UHFFFAOYSA-N 1 0 136.198 1.109 50 0 ADAARO C[NH2+]Cc1c(Cl)ncnc1Cl 83341720 168017221 /nfs/dbraw/zinc/01/72/21/168017221.db2.gz NOBUCUXJLOMEHP-UHFFFAOYSA-N 1 0 192.049 1.503 50 0 ADAARO C[NH2+]Cc1cc(F)ccc1F 36947787 168017248 /nfs/dbraw/zinc/01/72/48/168017248.db2.gz WCOSWOWLAHIRMH-UHFFFAOYSA-N 1 0 157.163 1.684 50 0 in-vitro ADAARO C[NH2+]Cc1cccc(-c2ncccn2)c1 12370562 168017502 /nfs/dbraw/zinc/01/75/02/168017502.db2.gz AHOVMAYXXRVWIS-UHFFFAOYSA-N 1 0 199.257 1.863 50 0 in-vitro ADAARO C[NH2+]Cc1ccc2c(ccn2C)c1 12370266 168017518 /nfs/dbraw/zinc/01/75/18/168017518.db2.gz SPRYNBKTIVXUOJ-UHFFFAOYSA-N 1 0 174.247 1.898 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(NC(C)=O)cc1 22144831 168017523 /nfs/dbraw/zinc/01/75/23/168017523.db2.gz IIULHCCNFWQUGI-UHFFFAOYSA-N 1 0 178.235 1.364 50 0 ADAARO C[NH2+]Cc1ccc(C(=O)OC)cc1 19259804 168017526 /nfs/dbraw/zinc/01/75/26/168017526.db2.gz JAUCAJFRFIPWIZ-UHFFFAOYSA-N 1 0 179.219 1.193 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(C(F)(F)F)nc1 20445214 168017543 /nfs/dbraw/zinc/01/75/43/168017543.db2.gz DNSJZPZEMZAKIF-UHFFFAOYSA-N 1 0 190.168 1.820 50 0 ADAARO C[NH2+]Cc1cccc(N2CCCC2)n1 20230779 168017607 /nfs/dbraw/zinc/01/76/07/168017607.db2.gz GGQYFTXRIMPZQO-UHFFFAOYSA-N 1 0 191.278 1.401 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(C)cc1 2527532 168017647 /nfs/dbraw/zinc/01/76/47/168017647.db2.gz YDFFIGRIWDSNOZ-UHFFFAOYSA-N 1 0 135.210 1.714 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(C)nc1 34567529 168017688 /nfs/dbraw/zinc/01/76/88/168017688.db2.gz CDELADZXJDHPDV-UHFFFAOYSA-N 1 0 136.198 1.109 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(C)c(F)c1 36947799 168017816 /nfs/dbraw/zinc/01/78/16/168017816.db2.gz UOHANYKHHPUQFY-UHFFFAOYSA-N 1 0 153.200 1.854 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(C)cn1 82836909 168017819 /nfs/dbraw/zinc/01/78/19/168017819.db2.gz OHNBCWHCSGAXRQ-UHFFFAOYSA-N 1 0 136.198 1.109 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(F)c(C)c1 38071660 168017842 /nfs/dbraw/zinc/01/78/42/168017842.db2.gz HEBLGAUCTCTJOI-UHFFFAOYSA-N 1 0 153.200 1.854 50 0 in-vitro ADAARO C[NH2+]Cc1cccc(C(=O)OC)c1 90505863 168017899 /nfs/dbraw/zinc/01/78/99/168017899.db2.gz PNOPLEPGAJGWAI-UHFFFAOYSA-N 1 0 179.219 1.193 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(Br)o1 22209700 168017902 /nfs/dbraw/zinc/01/79/02/168017902.db2.gz NANYLEFIVQMQHM-UHFFFAOYSA-N 1 0 190.040 1.762 50 0 ADAARO C[NH2+]Cc1ccc(F)nc1F 67801451 168017907 /nfs/dbraw/zinc/01/79/07/168017907.db2.gz OYIGXCYJUFMTIR-UHFFFAOYSA-N 1 0 158.151 1.079 50 0 ADAARO C[NH2+]Cc1ccc(OC)cc1F 69803536 168017920 /nfs/dbraw/zinc/01/79/20/168017920.db2.gz JSKNCPLLPSYVLX-UHFFFAOYSA-N 1 0 169.199 1.554 50 0 ADAARO C[NH2+]Cc1cccc(N(C)C)c1 36947781 168017946 /nfs/dbraw/zinc/01/79/46/168017946.db2.gz VRVPFMKTWWAPFL-UHFFFAOYSA-N 1 0 164.252 1.472 50 0 in-vitro ADAARO C[NH2+]Cc1ccc2[nH]cnc2c1 12370313 168017968 /nfs/dbraw/zinc/01/79/68/168017968.db2.gz MPAIZHGFGBOOQJ-UHFFFAOYSA-N 1 0 161.208 1.282 50 0 ADAARO C[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 13997073 168017981 /nfs/dbraw/zinc/01/79/81/168017981.db2.gz KGEYDOVJPCDMIN-MRVPVSSYSA-N 1 0 177.247 1.729 50 0 ADAARO C[NH2+]Cc1ccc2ccccc2n1 19089774 168017987 /nfs/dbraw/zinc/01/79/87/168017987.db2.gz IMBQFFXWWOONSK-UHFFFAOYSA-N 1 0 172.231 1.954 50 0 in-vitro ADAARO C[NH2+]Cc1ccc2[nH]ccc2c1 15424222 168017991 /nfs/dbraw/zinc/01/79/91/168017991.db2.gz UCAPGMOAKIBNSM-UHFFFAOYSA-N 1 0 160.220 1.887 50 0 in-vitro ADAARO C[NH2+]Cc1cccc(OC)c1 2533926 168018001 /nfs/dbraw/zinc/01/80/01/168018001.db2.gz FIFKRPFWLHBMHL-UHFFFAOYSA-N 1 0 151.209 1.415 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(N2CCCCC2)o1 20357697 168018008 /nfs/dbraw/zinc/01/80/08/168018008.db2.gz TYAKKYHOZRUINJ-UHFFFAOYSA-N 1 0 194.278 1.989 50 0 ADAARO C[NH2+]Cc1ccc(OC)c(OC)c1 570857 168018034 /nfs/dbraw/zinc/01/80/34/168018034.db2.gz XQODFBIAQVJQHF-UHFFFAOYSA-N 1 0 181.235 1.423 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(-c2ncccn2)cc1 12370554 168018072 /nfs/dbraw/zinc/01/80/72/168018072.db2.gz DIWVUAYHEYROLA-UHFFFAOYSA-N 1 0 199.257 1.863 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(F)cc1 161989 168018085 /nfs/dbraw/zinc/01/80/85/168018085.db2.gz SZJIQLSCDIEJFC-UHFFFAOYSA-N 1 0 139.173 1.545 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(O)cc1 11920608 168018119 /nfs/dbraw/zinc/01/81/19/168018119.db2.gz AMKMYXVFAOJGGQ-UHFFFAOYSA-N 1 0 137.182 1.112 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(OC)c(F)c1 4205444 168018154 /nfs/dbraw/zinc/01/81/54/168018154.db2.gz FQPMIWQXNDXPHW-UHFFFAOYSA-N 1 0 169.199 1.554 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(F)cc1F 12505854 168018158 /nfs/dbraw/zinc/01/81/58/168018158.db2.gz QRNJBUWQFRAFGI-UHFFFAOYSA-N 1 0 157.163 1.684 50 0 in-vitro ADAARO C[NH2+]Cc1cccc(-n2cccn2)c1 16941748 168018202 /nfs/dbraw/zinc/01/82/02/168018202.db2.gz NFVGTYGFGWZNSC-UHFFFAOYSA-N 1 0 187.246 1.592 50 0 in-vitro ADAARO C[NH2+]Cc1cccc(C)c1F 67801444 168018229 /nfs/dbraw/zinc/01/82/29/168018229.db2.gz UAUCXIATEJCXHQ-UHFFFAOYSA-N 1 0 153.200 1.854 50 0 ADAARO C[NH2+]Cc1ccc(F)cc1C 50568988 168018269 /nfs/dbraw/zinc/01/82/69/168018269.db2.gz HSOBTJJNTLBNEW-UHFFFAOYSA-N 1 0 153.200 1.854 50 0 in-vitro ADAARO C[NH2+]Cc1ccc([S@@](C)=O)cc1 38878811 168018326 /nfs/dbraw/zinc/01/83/26/168018326.db2.gz ILRUWCDVYZQVNX-LBPRGKRZSA-N 1 0 183.276 1.143 50 0 ADAARO C[NH2+]Cc1cccc(F)c1F 35054673 168018364 /nfs/dbraw/zinc/01/83/64/168018364.db2.gz RUNAPHQFPYXGCH-UHFFFAOYSA-N 1 0 157.163 1.684 50 0 in-vitro ADAARO C[NH2+]Cc1cccc(OC)c1OC 1747061 168018400 /nfs/dbraw/zinc/01/84/00/168018400.db2.gz UKKGAJSVGVCQAJ-UHFFFAOYSA-N 1 0 181.235 1.423 50 0 ADAARO C[NH2+]Cc1cccc(O)c1 11920605 168018417 /nfs/dbraw/zinc/01/84/17/168018417.db2.gz JVUOJMODQRWSRP-UHFFFAOYSA-N 1 0 137.182 1.112 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(C)s1 5969508 168018431 /nfs/dbraw/zinc/01/84/31/168018431.db2.gz XZPLAHRPQQWZFX-UHFFFAOYSA-N 1 0 141.239 1.776 50 0 in-vitro ADAARO C[NH2+]Cc1ccc2nccnc2c1 14628728 168018471 /nfs/dbraw/zinc/01/84/71/168018471.db2.gz QRZKMXOFPHWLCH-UHFFFAOYSA-N 1 0 173.219 1.349 50 0 ADAARO C[NH2+]Cc1ccc(C)cc1F 38071655 168018493 /nfs/dbraw/zinc/01/84/93/168018493.db2.gz LSWJHKWLOOQSSO-UHFFFAOYSA-N 1 0 153.200 1.854 50 0 ADAARO C[NH2+]Cc1ccc(Cl)nc1 12769369 168018574 /nfs/dbraw/zinc/01/85/74/168018574.db2.gz XALCOJXGWJXWBL-UHFFFAOYSA-N 1 0 156.616 1.454 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(OC)c(O)c1 4593460 168018578 /nfs/dbraw/zinc/01/85/78/168018578.db2.gz WOVANLRZNKFUQE-UHFFFAOYSA-N 1 0 167.208 1.120 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(-c2cncnc2)cc1 4271668 168018615 /nfs/dbraw/zinc/01/86/15/168018615.db2.gz AKANTTBTKVSRKO-UHFFFAOYSA-N 1 0 199.257 1.863 50 0 in-vitro ADAARO C[NH2+]Cc1ccc2ncccc2c1 4478368 168018622 /nfs/dbraw/zinc/01/86/22/168018622.db2.gz IIPNTNDPIZNFRU-UHFFFAOYSA-N 1 0 172.231 1.954 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(OC)cc1OC 3300891 168018633 /nfs/dbraw/zinc/01/86/33/168018633.db2.gz ULVUWTHGZHDWMW-UHFFFAOYSA-N 1 0 181.235 1.423 50 0 in-vitro ADAARO C[NH2+]Cc1ccc2c(c1)OCO2 4205841 168018661 /nfs/dbraw/zinc/01/86/61/168018661.db2.gz CEPGPPSMCRKGFJ-UHFFFAOYSA-N 1 0 165.192 1.135 50 0 in-vitro ADAARO C[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 13997070 168018699 /nfs/dbraw/zinc/01/86/99/168018699.db2.gz KGEYDOVJPCDMIN-QMMMGPOBSA-N 1 0 177.247 1.729 50 0 ADAARO C[NH2+]Cc1cccc(OC)c1F 67801442 168018715 /nfs/dbraw/zinc/01/87/15/168018715.db2.gz HBBGHVPZHVXQNP-UHFFFAOYSA-N 1 0 169.199 1.554 50 0 ADAARO C[NH2+]Cc1ccc(F)c(F)c1 20281267 168018742 /nfs/dbraw/zinc/01/87/42/168018742.db2.gz MMNUIVWEFIBTRB-UHFFFAOYSA-N 1 0 157.163 1.684 50 0 in-vitro ADAARO C[NH2+]Cc1ccc([S@](C)=O)cc1 38878807 168018760 /nfs/dbraw/zinc/01/87/60/168018760.db2.gz ILRUWCDVYZQVNX-GFCCVEGCSA-N 1 0 183.276 1.143 50 0 ADAARO C[NH2+]Cc1ccc(O)c(Cl)c1 43476591 168018768 /nfs/dbraw/zinc/01/87/68/168018768.db2.gz CTWJXRCNJWGXGY-UHFFFAOYSA-N 1 0 171.627 1.765 50 0 ADAARO C[NH2+]Cc1cccc(F)c1 2533929 168018942 /nfs/dbraw/zinc/01/89/42/168018942.db2.gz ZXWCKKSSCIFVBT-UHFFFAOYSA-N 1 0 139.173 1.545 50 0 in-vitro ADAARO C[NH2+]Cc1ccc2nsnc2c1 19088373 168018949 /nfs/dbraw/zinc/01/89/49/168018949.db2.gz BYLLNBJLPHZUNF-UHFFFAOYSA-N 1 0 179.248 1.411 50 0 ADAARO C[NH2+]Cc1cccc(C)c1 2563919 168018966 /nfs/dbraw/zinc/01/89/66/168018966.db2.gz WCTNVGNEUDTSOZ-UHFFFAOYSA-N 1 0 135.210 1.714 50 0 in-vitro ADAARO C[NH2+]Cc1ccc2ccn(C)c2c1 12370289 168019024 /nfs/dbraw/zinc/01/90/24/168019024.db2.gz ODIDITAYVOGYIV-UHFFFAOYSA-N 1 0 174.247 1.898 50 0 ADAARO C[NH2+]Cc1cccc(-c2cncnc2)c1 4277379 168019052 /nfs/dbraw/zinc/01/90/52/168019052.db2.gz AKWRDWWCLOUCIB-UHFFFAOYSA-N 1 0 199.257 1.863 50 0 ADAARO C[NH2+]Cc1ccc2c(c1)OCCO2 3888012 168019066 /nfs/dbraw/zinc/01/90/66/168019066.db2.gz SAGRVQMJUPNRRB-UHFFFAOYSA-N 1 0 179.219 1.177 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(C)o1 3300888 168019078 /nfs/dbraw/zinc/01/90/78/168019078.db2.gz GHATXKUOUZLMGN-UHFFFAOYSA-N 1 0 125.171 1.307 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(-n2ccnc2)cc1 4262692 168019153 /nfs/dbraw/zinc/01/91/53/168019153.db2.gz VZIBQMZVUZDSFA-UHFFFAOYSA-N 1 0 187.246 1.592 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(OC)cc1 161978 168019229 /nfs/dbraw/zinc/01/92/29/168019229.db2.gz AIJFPNKGGAPZFJ-UHFFFAOYSA-N 1 0 151.209 1.415 50 0 in-vitro ADAARO C[NH2+]Cc1cccc(C)n1 1693959 168019246 /nfs/dbraw/zinc/01/92/46/168019246.db2.gz NQMUUQGZZLWYGM-UHFFFAOYSA-N 1 0 136.198 1.109 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(O)c(OC)c1 3881170 168019300 /nfs/dbraw/zinc/01/93/00/168019300.db2.gz DWVROQPEVDTYSN-UHFFFAOYSA-N 1 0 167.208 1.120 50 0 in-vitro ADAARO C[NH2+]Cc1ccc(-n2cccn2)cc1 2506002 168019305 /nfs/dbraw/zinc/01/93/05/168019305.db2.gz SNGYKMODFWRKIL-UHFFFAOYSA-N 1 0 187.246 1.592 50 0 ADAARO C[NH2+]Cc1cccc2c1ccn2C 70631517 168019438 /nfs/dbraw/zinc/01/94/38/168019438.db2.gz KLCIPTOCOWTPKQ-UHFFFAOYSA-N 1 0 174.247 1.898 50 0 ADAARO C[NH2+]Cc1cccc2cc[nH]c12 82850200 168019452 /nfs/dbraw/zinc/01/94/52/168019452.db2.gz VOZMVJWWVQPYQA-UHFFFAOYSA-N 1 0 160.220 1.887 50 0 in-vitro ADAARO C[NH2+]Cc1ccn2ccnc2c1 44831937 168019504 /nfs/dbraw/zinc/01/95/04/168019504.db2.gz SYZSIBHQDDIGIZ-UHFFFAOYSA-N 1 0 161.208 1.054 50 0 ADAARO C[NH2+]Cc1ccccc1C(=O)OC 37509569 168019613 /nfs/dbraw/zinc/01/96/13/168019613.db2.gz NSAGTCDYXRDIMM-UHFFFAOYSA-N 1 0 179.219 1.193 50 0 in-vitro ADAARO C[NH2+]Cc1ccccc1OC 2165288 168019660 /nfs/dbraw/zinc/01/96/60/168019660.db2.gz JCCQJCOMFAJJCQ-UHFFFAOYSA-N 1 0 151.209 1.415 50 0 in-vitro ADAARO C[NH2+]Cc1ccccc1F 2533932 168019693 /nfs/dbraw/zinc/01/96/93/168019693.db2.gz AHIHZCXUWGORQO-UHFFFAOYSA-N 1 0 139.173 1.545 50 0 in-vitro ADAARO C[NH2+]Cc1cccnc1Cl 19090963 168019771 /nfs/dbraw/zinc/01/97/71/168019771.db2.gz IHVZCMZHYFPHSZ-UHFFFAOYSA-N 1 0 156.616 1.454 50 0 in-vitro ADAARO C[NH2+]Cc1cn(C)nc1C(F)(F)F 40538471 168019902 /nfs/dbraw/zinc/01/99/02/168019902.db2.gz VBRZLKJWXOHXBV-UHFFFAOYSA-N 1 0 193.172 1.158 50 0 in-vitro ADAARO C[NH2+]Cc1cccnc1C 39050074 168019964 /nfs/dbraw/zinc/01/99/64/168019964.db2.gz GMVYJUKSDIHVJY-UHFFFAOYSA-N 1 0 136.198 1.109 50 0 in-vitro ADAARO C[NH2+]Cc1cnc(-c2ccccc2)nc1 12370786 168019974 /nfs/dbraw/zinc/01/99/74/168019974.db2.gz BEURLXDVKSQEIQ-UHFFFAOYSA-N 1 0 199.257 1.863 50 0 in-vitro ADAARO C[NH2+]Cc1cn2ccccc2n1 2549455 168020061 /nfs/dbraw/zinc/02/00/61/168020061.db2.gz BXGMNTNNCIQWRO-UHFFFAOYSA-N 1 0 161.208 1.054 50 0 in-vitro ADAARO C[NH2+]Cc1cccn1C(C)C 45205845 168020103 /nfs/dbraw/zinc/02/01/03/168020103.db2.gz VCWAXKSEVGVKJS-UHFFFAOYSA-N 1 0 152.241 1.788 50 0 ADAARO C[NH2+]Cc1cnc2ccccc2c1 12397632 168020108 /nfs/dbraw/zinc/02/01/08/168020108.db2.gz BQGLOBVGXNNQIO-UHFFFAOYSA-N 1 0 172.231 1.954 50 0 in-vitro ADAARO C[NH2+]Cc1c[nH]nc1-c1ccccc1 19088087 168020112 /nfs/dbraw/zinc/02/01/12/168020112.db2.gz KZUVPCGHXREZHJ-UHFFFAOYSA-N 1 0 187.246 1.796 50 0 ADAARO C[NH2+]Cc1cnc2ccccc2n1 12957005 168020127 /nfs/dbraw/zinc/02/01/27/168020127.db2.gz RGTUTUTVYIMVEK-UHFFFAOYSA-N 1 0 173.219 1.349 50 0 in-vitro ADAARO C[NH2+]Cc1cn(C)nc1C(C)C 37184204 168020148 /nfs/dbraw/zinc/02/01/48/168020148.db2.gz ZQGCZMKSHLRIKL-UHFFFAOYSA-N 1 0 167.256 1.263 50 0 in-vitro ADAARO C[NH2+]Cc1ccccc1 1090563 168020183 /nfs/dbraw/zinc/02/01/83/168020183.db2.gz RIWRFSMVIUAEBX-UHFFFAOYSA-N 1 0 121.183 1.406 50 0 in-vitro ADAARO C[NH2+]Cc1cccc2cccnc12 12956959 168020194 /nfs/dbraw/zinc/02/01/94/168020194.db2.gz OIGGMXDIIFQEML-UHFFFAOYSA-N 1 0 172.231 1.954 50 0 in-vitro ADAARO C[NH2+]Cc1ccn(-c2ccccc2)n1 35452545 168020210 /nfs/dbraw/zinc/02/02/10/168020210.db2.gz QJNLIJWRMKGZAO-UHFFFAOYSA-N 1 0 187.246 1.592 50 0 in-vitro ADAARO C[NH2+]Cc1cnc(C)s1 36379434 168020356 /nfs/dbraw/zinc/02/03/56/168020356.db2.gz UCMVXKFYBIYEDL-UHFFFAOYSA-N 1 0 142.227 1.171 50 0 in-vitro ADAARO C[NH2+]Cc1cccc2cnccc12 12351277 168020373 /nfs/dbraw/zinc/02/03/73/168020373.db2.gz QMEHQGMKUUTMCP-UHFFFAOYSA-N 1 0 172.231 1.954 50 0 in-vitro ADAARO C[NH2+]Cc1cccs1 64945 168020379 /nfs/dbraw/zinc/02/03/79/168020379.db2.gz TTXJMSRLGMWEJZ-UHFFFAOYSA-N 1 0 127.212 1.468 50 0 in-vitro ADAARO C[NH2+]Cc1ccoc1C 12370516 168020395 /nfs/dbraw/zinc/02/03/95/168020395.db2.gz IDODRBWAEHXURE-UHFFFAOYSA-N 1 0 125.171 1.307 50 0 in-vitro ADAARO C[NH2+]Cc1ccncc1C 15635470 168020451 /nfs/dbraw/zinc/02/04/51/168020451.db2.gz RJVPFVJLMPYTBC-UHFFFAOYSA-N 1 0 136.198 1.109 50 0 in-vitro ADAARO C[NH2+]Cc1ccsc1 64946 168020475 /nfs/dbraw/zinc/02/04/75/168020475.db2.gz YZPQZFRRRSIHLR-UHFFFAOYSA-N 1 0 127.212 1.468 50 0 in-vitro ADAARO C[NH2+]Cc1cccc2ccn(C)c12 26340350 168020480 /nfs/dbraw/zinc/02/04/80/168020480.db2.gz JERMRTDADLXHSD-UHFFFAOYSA-N 1 0 174.247 1.898 50 0 in-vitro ADAARO C[NH2+]Cc1ccnc(C)c1 19090960 168020497 /nfs/dbraw/zinc/02/04/97/168020497.db2.gz AGBBPYPGNDYNBA-UHFFFAOYSA-N 1 0 136.198 1.109 50 0 in-vitro ADAARO C[NH2+]Cc1ccccc1C 1632643 168020561 /nfs/dbraw/zinc/02/05/61/168020561.db2.gz YMWQUYQBTXWNAH-UHFFFAOYSA-N 1 0 135.210 1.714 50 0 in-vitro ADAARO C[NH2+]Cc1ccnc(C(C)C)n1 22861837 168020609 /nfs/dbraw/zinc/02/06/09/168020609.db2.gz KRRRBVLCBDSKOS-UHFFFAOYSA-N 1 0 165.240 1.319 50 0 ADAARO C[NH2+]Cc1cccc2ncccc12 4237703 168020617 /nfs/dbraw/zinc/02/06/17/168020617.db2.gz OQWMVUARPULOKS-UHFFFAOYSA-N 1 0 172.231 1.954 50 0 in-vitro ADAARO C[NH2+]Cc1cnc2ccc(Cl)cn12 89201998 168020684 /nfs/dbraw/zinc/02/06/84/168020684.db2.gz ZGOZEVGYAAYVBO-UHFFFAOYSA-N 1 0 195.653 1.707 50 0 ADAARO C[NH2+]Cc1cnc(Cl)s1 79438277 168020810 /nfs/dbraw/zinc/02/08/10/168020810.db2.gz SMWPUJJZPVUXMC-UHFFFAOYSA-N 1 0 162.645 1.516 50 0 in-vitro ADAARO C[NH2+]Cc1cn(C)c2ccccc12 5658018 168020860 /nfs/dbraw/zinc/02/08/60/168020860.db2.gz DUPLFXAFPGYVJK-UHFFFAOYSA-N 1 0 174.247 1.898 50 0 ADAARO C[NH2+]Cc1cccc2c1OCO2 36167347 168020899 /nfs/dbraw/zinc/02/08/99/168020899.db2.gz SBRKQMIPPKZACL-UHFFFAOYSA-N 1 0 165.192 1.135 50 0 ADAARO C[NH2+]Cc1cncc2ccccc12 12370152 168020934 /nfs/dbraw/zinc/02/09/34/168020934.db2.gz PISGLKXJHQKIFN-UHFFFAOYSA-N 1 0 172.231 1.954 50 0 in-vitro ADAARO C[NH2+]Cc1cccc2c[nH]nc12 82850319 168020944 /nfs/dbraw/zinc/02/09/44/168020944.db2.gz PBEYCEAXYZKFEG-UHFFFAOYSA-N 1 0 161.208 1.282 50 0 ADAARO C[NH2+]Cc1ccnc2ccccc12 6670887 168020959 /nfs/dbraw/zinc/02/09/59/168020959.db2.gz WGGQONRIUNAXSX-UHFFFAOYSA-N 1 0 172.231 1.954 50 0 in-vitro ADAARO C[NH2+]Cc1ccccc1N(C)C 34824264 168020974 /nfs/dbraw/zinc/02/09/74/168020974.db2.gz VKTIKRMCCXDKRG-UHFFFAOYSA-N 1 0 164.252 1.472 50 0 in-vitro ADAARO C[NH2+]Cc1ccnc(Cl)c1 4072645 168020994 /nfs/dbraw/zinc/02/09/94/168020994.db2.gz NIBLXLUVASMQFM-UHFFFAOYSA-N 1 0 156.616 1.454 50 0 in-vitro ADAARO C[NH2+]Cc1cnc2ccccn12 15635702 168021025 /nfs/dbraw/zinc/02/10/25/168021025.db2.gz BIKHBXLQYBABBC-UHFFFAOYSA-N 1 0 161.208 1.054 50 0 in-vitro ADAARO C[NH2+]Cc1cncc(C(F)(F)F)c1 95761303 168021112 /nfs/dbraw/zinc/02/11/12/168021112.db2.gz VGMWDLVTVGODJL-UHFFFAOYSA-N 1 0 190.168 1.820 50 0 ADAARO C[NH2+]Cc1ccccc1-n1cccn1 19088285 168021208 /nfs/dbraw/zinc/02/12/08/168021208.db2.gz VSVTZPRORRMPRT-UHFFFAOYSA-N 1 0 187.246 1.592 50 0 ADAARO C[NH2+]Cc1cn(C)c2ncccc12 83272343 168021225 /nfs/dbraw/zinc/02/12/25/168021225.db2.gz AWWRUNWWJMMIIO-UHFFFAOYSA-N 1 0 175.235 1.293 50 0 ADAARO C[NH2+]Cc1cccc2[nH]ccc12 15423546 168021270 /nfs/dbraw/zinc/02/12/70/168021270.db2.gz DPXOSZVHVILMJI-UHFFFAOYSA-N 1 0 160.220 1.887 50 0 in-vitro ADAARO C[NH2+]Cc1nc2ccccc2o1 14988211 168021656 /nfs/dbraw/zinc/02/16/56/168021656.db2.gz NFGYJXAQDDQWIQ-UHFFFAOYSA-N 1 0 162.192 1.547 50 0 in-vitro ADAARO C[NH2+]Cc1[nH]nc2c1CCCC2 4453801 168021744 /nfs/dbraw/zinc/02/17/44/168021744.db2.gz CPHCIYGRSFZNRD-UHFFFAOYSA-N 1 0 165.240 1.008 50 0 ADAARO C[NH2+]Cc1nc2c(s1)CCCC2 3710592 168021770 /nfs/dbraw/zinc/02/17/70/168021770.db2.gz CBIDDNFHMBPUTJ-UHFFFAOYSA-N 1 0 182.292 1.741 50 0 in-vitro ADAARO C[NH2+]Cc1nc2c(n1C)CCCC2 76121967 168021805 /nfs/dbraw/zinc/02/18/05/168021805.db2.gz FUAIVFWSGKUBCG-UHFFFAOYSA-N 1 0 179.267 1.018 50 0 ADAARO C[NH2+]Cc1nc2cc(C)ccc2[nH]1 15635435 168021818 /nfs/dbraw/zinc/02/18/18/168021818.db2.gz CPBXKMCOBFSSIA-UHFFFAOYSA-N 1 0 175.235 1.591 50 0 in-vitro ADAARO C[NH2+]Cc1nc(-c2cccs2)no1 16652245 168021834 /nfs/dbraw/zinc/02/18/34/168021834.db2.gz DGKMEQUJLGMADY-UHFFFAOYSA-N 1 0 195.247 1.518 50 0 in-vitro ADAARO C[NH2+]Cc1nccn1CC(F)(F)F 57218508 168021916 /nfs/dbraw/zinc/02/19/16/168021916.db2.gz DQNBASDQZGWYSI-UHFFFAOYSA-N 1 0 193.172 1.165 50 0 in-vitro ADAARO C[NH2+]Cc1csc([C@@H](C)OC)n1 72312774 168021997 /nfs/dbraw/zinc/02/19/97/168021997.db2.gz GBSCXERTQSCIIL-ZCFIWIBFSA-N 1 0 186.280 1.570 50 0 in-vitro ADAARO C[NH2+]Cc1nc(C(F)(F)F)cs1 3711098 168022259 /nfs/dbraw/zinc/02/22/59/168022259.db2.gz PMTAJXFTZWVRGZ-UHFFFAOYSA-N 1 0 196.197 1.881 50 0 in-vitro ADAARO C[NH2+]Cc1nc(-c2ccccc2)no1 4503376 168022293 /nfs/dbraw/zinc/02/22/93/168022293.db2.gz OFCUVBMUUAYSHY-UHFFFAOYSA-N 1 0 189.218 1.456 50 0 in-vitro ADAARO C[NH2+]Cc1nc2ccccc2n1C 12370150 168022345 /nfs/dbraw/zinc/02/23/45/168022345.db2.gz NCXZCKSFAVXJJR-UHFFFAOYSA-N 1 0 175.235 1.293 50 0 in-vitro ADAARO C[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 4453802 168022460 /nfs/dbraw/zinc/02/24/60/168022460.db2.gz XUJLTGGMKFCUHT-UHFFFAOYSA-N 1 0 195.653 1.936 50 0 ADAARO C[NH2+]Cc1nc2c(C)cccc2[nH]1 19088568 168022488 /nfs/dbraw/zinc/02/24/88/168022488.db2.gz VEPJFOVPRVBOLW-UHFFFAOYSA-N 1 0 175.235 1.591 50 0 in-vitro ADAARO C[NH2+]Cc1csc([C@H](C)OC)n1 72312773 168022504 /nfs/dbraw/zinc/02/25/04/168022504.db2.gz GBSCXERTQSCIIL-LURJTMIESA-N 1 0 186.280 1.570 50 0 in-vitro ADAARO C[NH2+]Cc1ncc(C)s1 20441706 168022510 /nfs/dbraw/zinc/02/25/10/168022510.db2.gz SMMNSOCRUQVCIP-UHFFFAOYSA-N 1 0 142.227 1.171 50 0 ADAARO C[NH2+]Cc1csc(C(C)C)n1 12383139 168022523 /nfs/dbraw/zinc/02/25/23/168022523.db2.gz HWSFABGWAXURNG-UHFFFAOYSA-N 1 0 170.281 1.986 50 0 in-vitro ADAARO C[NH2+]Cc1cnn(-c2ccccc2)c1 4218603 168022642 /nfs/dbraw/zinc/02/26/42/168022642.db2.gz SZXULAAYIBSASF-UHFFFAOYSA-N 1 0 187.246 1.592 50 0 in-vitro ADAARO C[NH2+]Cc1ncc(C)c(OC)c1C 19844416 168022699 /nfs/dbraw/zinc/02/26/99/168022699.db2.gz QHIBLHAKBKSQMB-UHFFFAOYSA-N 1 0 180.251 1.426 50 0 in-vitro ADAARO C[NH2+]Cc1ncccc1C 2559661 168022811 /nfs/dbraw/zinc/02/28/11/168022811.db2.gz VZRNUXANVNOWMJ-UHFFFAOYSA-N 1 0 136.198 1.109 50 0 in-vitro ADAARO C[NH2+]Cc1nc(C)oc1C 5177595 168022974 /nfs/dbraw/zinc/02/29/74/168022974.db2.gz KRRLPXDQADCHQZ-UHFFFAOYSA-N 1 0 140.186 1.011 50 0 ADAARO C[NH2+]Cc1[nH]nc2c1CCCCC2 19088479 168022980 /nfs/dbraw/zinc/02/29/80/168022980.db2.gz SFPCZJNCDYVBQT-UHFFFAOYSA-N 1 0 179.267 1.398 50 0 in-vitro ADAARO C[NH2+]Cc1nc(C)c2ccccc2n1 47844225 168023023 /nfs/dbraw/zinc/02/30/23/168023023.db2.gz ZSTGCQKWFYJNES-UHFFFAOYSA-N 1 0 187.246 1.658 50 0 ADAARO C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 36877334 168023151 /nfs/dbraw/zinc/02/31/51/168023151.db2.gz LMAVLCDHNFUPNX-UHFFFAOYSA-N 1 0 187.246 1.796 50 0 in-vitro ADAARO C[NH2+]Cc1ncccc1C(F)(F)F 95836522 168023185 /nfs/dbraw/zinc/02/31/85/168023185.db2.gz UMMNUJAJZCLIRB-UHFFFAOYSA-N 1 0 190.168 1.820 50 0 ADAARO C[NH2+]Cc1nc2cc(C)c(C)cc2[nH]1 19088571 168023226 /nfs/dbraw/zinc/02/32/26/168023226.db2.gz JRKQGSCJUPQTJJ-UHFFFAOYSA-N 1 0 189.262 1.899 50 0 in-vitro ADAARO C[NH2+]Cc1nn(C)c2ccccc12 5177586 168023356 /nfs/dbraw/zinc/02/33/56/168023356.db2.gz XDQYKASLVAVERE-UHFFFAOYSA-N 1 0 175.235 1.293 50 0 ADAARO C[NH2+]Cc1nc2cc(OC)ccc2[nH]1 22122080 168023363 /nfs/dbraw/zinc/02/33/63/168023363.db2.gz TYRXYRRZMCFZLW-UHFFFAOYSA-N 1 0 191.234 1.291 50 0 ADAARO C[NH2+]Cc1nnc(-c2ccccc2)[nH]1 42013497 168023373 /nfs/dbraw/zinc/02/33/73/168023373.db2.gz JPLQZELVOBDEHF-UHFFFAOYSA-N 1 0 188.234 1.191 50 0 ADAARO C[NH2+]Cc1nc(C)cs1 3711100 168023407 /nfs/dbraw/zinc/02/34/07/168023407.db2.gz KMGBNXQVTATQAD-UHFFFAOYSA-N 1 0 142.227 1.171 50 0 in-vitro ADAARO C[NH2+]Cc1nc2ccccc2[nH]1 4292309 168023409 /nfs/dbraw/zinc/02/34/09/168023409.db2.gz DOHYOMCAAAAAMG-UHFFFAOYSA-N 1 0 161.208 1.282 50 0 in-vitro ADAARO C[NH2+]Cc1csc(C)n1 12370154 168023492 /nfs/dbraw/zinc/02/34/92/168023492.db2.gz GJHOBSIOQKGKSG-UHFFFAOYSA-N 1 0 142.227 1.171 50 0 in-vitro ADAARO C[NH2+]Cc1nc2cc(F)ccc2[nH]1 19088565 168023525 /nfs/dbraw/zinc/02/35/25/168023525.db2.gz FZASFRJAUREQIL-UHFFFAOYSA-N 1 0 179.198 1.421 50 0 in-vitro ADAARO C[NH2+]Cc1scc2c1OCCO2 5177778 168024854 /nfs/dbraw/zinc/02/48/54/168024854.db2.gz OKANPAKWXRYBAJ-UHFFFAOYSA-N 1 0 185.248 1.239 50 0 in-vitro ADAARO C[NH2+]Cc1noc2c1CCCC2 20442631 168025275 /nfs/dbraw/zinc/02/52/75/168025275.db2.gz WHFJWJYDAIHSKX-UHFFFAOYSA-N 1 0 166.224 1.273 50 0 in-vitro ADAARO C[NH2+]Cc1scnc1C 20357699 168025290 /nfs/dbraw/zinc/02/52/90/168025290.db2.gz PKCGXFXUGSQGTP-UHFFFAOYSA-N 1 0 142.227 1.171 50 0 ADAARO C[NH2+]Cc1nnc(-c2ccccc2)o1 4344071 168025637 /nfs/dbraw/zinc/02/56/37/168025637.db2.gz WVVQCQZLRFXKEZ-UHFFFAOYSA-N 1 0 189.218 1.456 50 0 in-vitro ADAARO C[NH2+]Cc1occc1C 12370520 168026231 /nfs/dbraw/zinc/02/62/31/168026231.db2.gz KBNPUPCSMGGUHM-UHFFFAOYSA-N 1 0 125.171 1.307 50 0 in-vitro ADAARO C[NH2+]Cc1sccc1C 570974 168027371 /nfs/dbraw/zinc/02/73/71/168027371.db2.gz KSWAIIKUFIWWOC-UHFFFAOYSA-N 1 0 141.239 1.776 50 0 in-vitro ADAARO C[NH2+]Cc1nnc(-c2ccco2)o1 48655176 168027392 /nfs/dbraw/zinc/02/73/92/168027392.db2.gz AECOCULEPUXCRS-UHFFFAOYSA-N 1 0 179.179 1.049 50 0 in-vitro ADAARO C[NH2+][C@@H](C)C(C)(C)C 12896144 168029592 /nfs/dbraw/zinc/02/95/92/168029592.db2.gz WVNLIXPHUXNITQ-LURJTMIESA-N 1 0 115.220 1.640 50 0 in-vitro ADAARO C[NH2+][C@@H](C)C(=O)c1ccccc1F 71789382 168029629 /nfs/dbraw/zinc/02/96/29/168029629.db2.gz DCMOUMKIDLRIBO-ZETCQYMHSA-N 1 0 181.210 1.616 50 0 in-vitro ADAARO C[NH2+][C@@H](C)C(=O)c1ccccc1 403054 168030022 /nfs/dbraw/zinc/03/00/22/168030022.db2.gz LPLLVINFLBSFRP-QMMMGPOBSA-N 1 0 163.220 1.477 50 0 world ADAARO C[NH2+][C@@H](C)C(=O)c1ccc(C)cc1 22062037 168030342 /nfs/dbraw/zinc/03/03/42/168030342.db2.gz YELGFTGWJGBAQU-VIFPVBQESA-N 1 0 177.247 1.786 50 0 world ADAARO C[NH2+][C@@H](C)CC(C)C 12896190 168030428 /nfs/dbraw/zinc/03/04/28/168030428.db2.gz OJFLJUCXLKCIHU-ZETCQYMHSA-N 1 0 115.220 1.640 50 0 in-vitro ADAARO C[NH2+][C@@H](C)C1CCC1 83121828 168030743 /nfs/dbraw/zinc/03/07/43/168030743.db2.gz GBWSPAMRIAOHFY-LURJTMIESA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[NH2+][C@@H](C)C(=O)c1cccs1 38886089 168030796 /nfs/dbraw/zinc/03/07/96/168030796.db2.gz DOZQPYDMJMLVKX-LURJTMIESA-N 1 0 169.249 1.539 50 0 in-vitro ADAARO C[NH2+][C@@H](C(C)=O)c1ccccc1 1594445 168030971 /nfs/dbraw/zinc/03/09/71/168030971.db2.gz LNLNWQQWSFMHBW-JTQLQIEISA-N 1 0 163.220 1.536 50 0 ADAARO C[NH2+][C@@H](C)C(=O)c1ccc(OC)cc1 486 168031251 /nfs/dbraw/zinc/03/12/51/168031251.db2.gz MQUIHBQDYYAEMH-QMMMGPOBSA-N 1 0 193.246 1.486 50 0 in-man ADAARO C[NH2+][C@@H](C)C(=O)c1cccc(F)c1 44138218 168031306 /nfs/dbraw/zinc/03/13/06/168031306.db2.gz PQIBROLLUQSNQI-ZETCQYMHSA-N 1 0 181.210 1.616 50 0 in-vitro ADAARO C[NH2+][C@@H](C)C(=O)c1ccc(F)cc1 41609383 168031393 /nfs/dbraw/zinc/03/13/93/168031393.db2.gz MWKQPIROPJSFRI-ZETCQYMHSA-N 1 0 181.210 1.616 50 0 in-vitro ADAARO C[NH2+][C@@H](C)C(=O)c1cccc(OC)c1 71506325 168031521 /nfs/dbraw/zinc/03/15/21/168031521.db2.gz VAVRRUJYUFACKA-QMMMGPOBSA-N 1 0 193.246 1.486 50 0 in-vitro ADAARO C[NH2+][C@@H](C)C1CC1 11599591 168031590 /nfs/dbraw/zinc/03/15/90/168031590.db2.gz CBWBPZZRBSZHEE-YFKPBYRVSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO C[NH2+][C@@H](C)C1(C)CC1 36984222 168031603 /nfs/dbraw/zinc/03/16/03/168031603.db2.gz BLISZBYFASHPAB-LURJTMIESA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[NH2+][C@@H](C)C(C)C 19092181 168031613 /nfs/dbraw/zinc/03/16/13/168031613.db2.gz LJLWVVCWBURGCC-LURJTMIESA-N 1 0 101.193 1.250 50 0 in-vitro ADAARO C[NH2+][C@@H](C(N)=O)c1ccc(Cl)cc1 95202011 168031618 /nfs/dbraw/zinc/03/16/18/168031618.db2.gz BGYKMIQJZKQCRF-MRVPVSSYSA-N 1 0 198.653 1.086 50 0 in-vitro ADAARO C[NH2+][C@@H](C)Cc1cccc(F)c1 37992895 168031733 /nfs/dbraw/zinc/03/17/33/168031733.db2.gz RRVAUTPWWWFYQT-QMMMGPOBSA-N 1 0 167.227 1.976 50 0 in-vitro ADAARO C[NH2+][C@@H](C)Cc1cccc2c1OCO2 65743313 168032080 /nfs/dbraw/zinc/03/20/80/168032080.db2.gz RTZIIFGBTSUSEL-QMMMGPOBSA-N 1 0 193.246 1.566 50 0 in-vitro ADAARO C[NH2+][C@@H](C)CCc1ccc(O)cc1 22216114 168032234 /nfs/dbraw/zinc/03/22/34/168032234.db2.gz ZRHYFBCOBQPTIQ-VIFPVBQESA-N 1 0 179.263 1.933 50 0 ADAARO C[NH2+][C@@H](C)[C@@H]1Cc2ccccc2O1 82164021 168032248 /nfs/dbraw/zinc/03/22/48/168032248.db2.gz AVSQIJPHZOZDKP-KWQFWETISA-N 1 0 177.247 1.598 50 0 in-vitro ADAARO C[NH2+][C@@H](C)Cc1ccc(O)c(OC)c1 2386271 168032354 /nfs/dbraw/zinc/03/23/54/168032354.db2.gz UVDWYWYWOMOEFX-QMMMGPOBSA-N 1 0 195.262 1.551 50 0 in-vitro ADAARO C[NH2+][C@@H](C)Cc1ccccc1OC 487 168032366 /nfs/dbraw/zinc/03/23/66/168032366.db2.gz OEHAYUOVELTAPG-VIFPVBQESA-N 1 0 179.263 1.846 50 0 world ADAARO C[NH2+][C@@H](C)Cc1ncccc1C 12397643 168032590 /nfs/dbraw/zinc/03/25/90/168032590.db2.gz MCBVILIYABTIRH-VIFPVBQESA-N 1 0 164.252 1.540 50 0 in-vitro ADAARO C[NH2+][C@@H](C)Cc1ccccc1F 11596732 168032656 /nfs/dbraw/zinc/03/26/56/168032656.db2.gz XNWIKJYFOIDUGD-QMMMGPOBSA-N 1 0 167.227 1.976 50 0 in-vitro ADAARO C[NH2+][C@@H](C)Cc1ccc2c(c1)OCO2 859 168032658 /nfs/dbraw/zinc/03/26/58/168032658.db2.gz SHXWCVYOXRDMCX-QMMMGPOBSA-N 1 0 193.246 1.566 50 0 investigational ADAARO C[NH2+][C@@H](C)Cc1cc(C)ccn1 12397649 168032666 /nfs/dbraw/zinc/03/26/66/168032666.db2.gz AKUIALIJZRZKJA-VIFPVBQESA-N 1 0 164.252 1.540 50 0 in-vitro ADAARO C[NH2+][C@@H](C)CCc1ccco1 2566548 168032682 /nfs/dbraw/zinc/03/26/82/168032682.db2.gz WWFXMPUDFGFLSQ-QMMMGPOBSA-N 1 0 153.225 1.820 50 0 in-vitro ADAARO C[NH2+][C@@H](C)Cc1ccc(F)cc1 11596739 168032784 /nfs/dbraw/zinc/03/27/84/168032784.db2.gz YCWZPIHKUYZTFM-QMMMGPOBSA-N 1 0 167.227 1.976 50 0 in-vitro ADAARO C[NH2+][C@@H](C)Cc1ccccn1 3634118 168032911 /nfs/dbraw/zinc/03/29/11/168032911.db2.gz LRCYOGDMXYPZAE-QMMMGPOBSA-N 1 0 150.225 1.232 50 0 in-vitro ADAARO C[NH2+][C@@H](C)[C@@H](O)c1ccccc1 20259 168032924 /nfs/dbraw/zinc/03/29/24/168032924.db2.gz KWGRBVOPPLSCSI-WCBMZHEXSA-N 1 0 165.236 1.328 50 0 biogenic,fda ADAARO C[NH2+][C@@H](C)CCSC 68575918 168032937 /nfs/dbraw/zinc/03/29/37/168032937.db2.gz MYFRYENLDLWAFX-LURJTMIESA-N 1 0 133.260 1.347 50 0 in-vitro ADAARO C[NH2+][C@@H](C)Cc1ccccc1 6021043 168032971 /nfs/dbraw/zinc/03/29/71/168032971.db2.gz MYWUZJCMWCOHBA-VIFPVBQESA-N 1 0 149.237 1.837 50 0 fda ADAARO C[NH2+][C@@H](C)COc1ccc(O)cc1 394243 168033032 /nfs/dbraw/zinc/03/30/32/168033032.db2.gz XCSSUDXBLDREPC-QMMMGPOBSA-N 1 0 181.235 1.379 50 0 ADAARO C[NH2+][C@@H](C)[C@@H](O)c1ccc(C)cc1 71497927 168033132 /nfs/dbraw/zinc/03/31/32/168033132.db2.gz DUESQFQLBNOCIT-GXSJLCMTSA-N 1 0 179.263 1.636 50 0 in-vitro ADAARO C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C 39091089 168033296 /nfs/dbraw/zinc/03/32/96/168033296.db2.gz FIOWXOCWQZXDSB-ZETCQYMHSA-N 1 0 188.271 1.119 50 0 in-vitro ADAARO C[NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1 77270731 168033322 /nfs/dbraw/zinc/03/33/22/168033322.db2.gz DGHFNCMIOMIHDW-OIBJUYFYSA-N 1 0 183.226 1.467 50 0 ADAARO C[NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1 71499329 168033334 /nfs/dbraw/zinc/03/33/34/168033334.db2.gz SPEQHEOLWDGWML-OIBJUYFYSA-N 1 0 183.226 1.467 50 0 ADAARO C[NH2+][C@@H](C)Cc1ccsc1 38130825 168033339 /nfs/dbraw/zinc/03/33/39/168033339.db2.gz KFFOOPYCWWXODT-ZETCQYMHSA-N 1 0 155.266 1.899 50 0 in-vitro ADAARO C[NH2+][C@@H](C)Cc1ccc(O)cc1 615 168033370 /nfs/dbraw/zinc/03/33/70/168033370.db2.gz SBUQZKJEOOQSBV-QMMMGPOBSA-N 1 0 165.236 1.543 50 0 world ADAARO C[NH2+][C@@H](C)Cc1cccs1 1593015 168033395 /nfs/dbraw/zinc/03/33/95/168033395.db2.gz HPHUWHKFQXTZPS-ZETCQYMHSA-N 1 0 155.266 1.899 50 0 in-vitro ADAARO C[NH2+][C@@H](C)Cc1ccc(OC)cc1 2383161 168033404 /nfs/dbraw/zinc/03/34/04/168033404.db2.gz UGFMBZYKVQSQFX-VIFPVBQESA-N 1 0 179.263 1.846 50 0 in-vitro ADAARO C[NH2+][C@@H](C)[C@@H]1COc2ccccc2O1 5735381 168033518 /nfs/dbraw/zinc/03/35/18/168033518.db2.gz VUAHSCOJFWABEC-KWQFWETISA-N 1 0 193.246 1.434 50 0 in-vitro ADAARO C[NH2+][C@@H](C)[C@H]1COc2ccccc2O1 1843878 168033811 /nfs/dbraw/zinc/03/38/11/168033811.db2.gz VUAHSCOJFWABEC-GZMMTYOYSA-N 1 0 193.246 1.434 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1ccc(OC)cc1 12383709 168033829 /nfs/dbraw/zinc/03/38/29/168033829.db2.gz DUUDSVJQKGZSDN-QMMMGPOBSA-N 1 0 165.236 1.976 50 0 in-vitro ADAARO C[NH2+][C@@H](C)[C@H](O)c1ccc(C)c(C)c1 71506487 168033852 /nfs/dbraw/zinc/03/38/52/168033852.db2.gz AZUNPXPNKMYKDF-JQWIXIFHSA-N 1 0 193.290 1.945 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1ccc(O)cc1 20281350 168033899 /nfs/dbraw/zinc/03/38/99/168033899.db2.gz AMTZDPYULUUNIX-ZETCQYMHSA-N 1 0 151.209 1.673 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 4125500 168033936 /nfs/dbraw/zinc/03/39/36/168033936.db2.gz MXSHFGAZNKNPHP-QMMMGPOBSA-N 1 0 193.246 1.738 50 0 ADAARO C[NH2+][C@@H](C)c1ccc(OC)cc1OC 191207 168033958 /nfs/dbraw/zinc/03/39/58/168033958.db2.gz QOOWQASTOPJHKE-QMMMGPOBSA-N 1 0 195.262 1.984 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1cccc(O)c1 21954098 168033998 /nfs/dbraw/zinc/03/39/98/168033998.db2.gz AEOMELCUDZBIFY-ZETCQYMHSA-N 1 0 151.209 1.673 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1cccc(OC)c1 19088599 168034094 /nfs/dbraw/zinc/03/40/94/168034094.db2.gz QZEPBVRIPQSJDG-QMMMGPOBSA-N 1 0 165.236 1.976 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 72266517 168034183 /nfs/dbraw/zinc/03/41/83/168034183.db2.gz SCSJPBNMIUJMPJ-ISVAXAHUSA-N 1 0 197.303 1.704 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 72266519 168034246 /nfs/dbraw/zinc/03/42/46/168034246.db2.gz SCSJPBNMIUJMPJ-SDBXPKJASA-N 1 0 197.303 1.704 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1ccoc1 2534121 168034560 /nfs/dbraw/zinc/03/45/60/168034560.db2.gz BNKBQZFCTFGJOU-LURJTMIESA-N 1 0 125.171 1.560 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1ccco1 4488340 168034606 /nfs/dbraw/zinc/03/46/06/168034606.db2.gz BNBCJNJOLJAPMQ-LURJTMIESA-N 1 0 125.171 1.560 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1ccccc1OC 19088593 168034622 /nfs/dbraw/zinc/03/46/22/168034622.db2.gz IQVNCCSGFPMYOW-QMMMGPOBSA-N 1 0 165.236 1.976 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1c(C)n[nH]c1C 14807595 168034665 /nfs/dbraw/zinc/03/46/65/168034665.db2.gz VWOMTZAEIFHESG-YFKPBYRVSA-N 1 0 153.229 1.307 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1cccnc1 14807029 168034740 /nfs/dbraw/zinc/03/47/40/168034740.db2.gz RYLMQQMCVLCCOT-ZETCQYMHSA-N 1 0 136.198 1.362 50 0 in-vitro ADAARO C[NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1 71499326 168034897 /nfs/dbraw/zinc/03/48/97/168034897.db2.gz SPEQHEOLWDGWML-XVKPBYJWSA-N 1 0 183.226 1.467 50 0 in-vitro ADAARO C[NH2+][C@@H](C)[C@H](O)c1ccccc1 74836 168034964 /nfs/dbraw/zinc/03/49/64/168034964.db2.gz KWGRBVOPPLSCSI-WPRPVWTQSA-N 1 0 165.236 1.328 50 0 biogenic,fda ADAARO C[NH2+][C@@H](C)c1ccccn1 14807022 168035069 /nfs/dbraw/zinc/03/50/69/168035069.db2.gz MJXPDBFDHSMVNS-ZETCQYMHSA-N 1 0 136.198 1.362 50 0 in-vitro ADAARO C[NH2+][C@@H](C)[C@H]1Cc2ccccc2O1 82164025 168035130 /nfs/dbraw/zinc/03/51/30/168035130.db2.gz AVSQIJPHZOZDKP-GZMMTYOYSA-N 1 0 177.247 1.598 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1ccncc1 19093495 168035214 /nfs/dbraw/zinc/03/52/14/168035214.db2.gz MUIKHERDKLRMFH-ZETCQYMHSA-N 1 0 136.198 1.362 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1nccs1 39134600 168035298 /nfs/dbraw/zinc/03/52/98/168035298.db2.gz LQNHSIORGPFNFA-YFKPBYRVSA-N 1 0 142.227 1.424 50 0 in-vitro ADAARO C[NH2+][C@@H](C)[C@H](O)c1cccc(F)c1 77270722 168035324 /nfs/dbraw/zinc/03/53/24/168035324.db2.gz DGHFNCMIOMIHDW-XVKPBYJWSA-N 1 0 183.226 1.467 50 0 ADAARO C[NH2+][C@@H](C)[C@H](O)c1ccc(C)cc1 71497930 168035325 /nfs/dbraw/zinc/03/53/25/168035325.db2.gz DUESQFQLBNOCIT-ONGXEEELSA-N 1 0 179.263 1.636 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 51282 168035516 /nfs/dbraw/zinc/03/55/16/168035516.db2.gz OVAURWWPGDNSAN-QMMMGPOBSA-N 1 0 195.262 1.984 50 0 ADAARO C[NH2+][C@@H](C)c1ccccc1 2539667 168035517 /nfs/dbraw/zinc/03/55/17/168035517.db2.gz RCSSHZGQHHEHPZ-QMMMGPOBSA-N 1 0 135.210 1.967 50 0 in-vitro ADAARO C[NH2+][C@@H](C)c1c(C)nn(C)c1C 14807584 168035672 /nfs/dbraw/zinc/03/56/72/168035672.db2.gz XFCLJDYNDBQSHW-LURJTMIESA-N 1 0 167.256 1.317 50 0 in-vitro ADAARO C[NH2+][C@@H](CO)c1ccc(Cl)cc1 38121257 168035989 /nfs/dbraw/zinc/03/59/89/168035989.db2.gz CGNWAWUYNSXHCV-VIFPVBQESA-N 1 0 185.654 1.593 50 0 ADAARO C[NH2+][C@@H](CN1CCCCC1)C1CC1 68893612 168036105 /nfs/dbraw/zinc/03/61/05/168036105.db2.gz NZZAHGODAJSKSA-NSHDSACASA-N 1 0 182.311 1.470 50 0 ADAARO C[NH2+][C@@H](CO)c1ccc(F)cc1F 38121253 168036331 /nfs/dbraw/zinc/03/63/31/168036331.db2.gz GCQREOUPNNFYQH-VIFPVBQESA-N 1 0 187.189 1.218 50 0 ADAARO C[NH2+][C@@H](CO)c1cccc(F)c1 38121203 168036460 /nfs/dbraw/zinc/03/64/60/168036460.db2.gz BJZJXKOFBIKLHY-VIFPVBQESA-N 1 0 169.199 1.079 50 0 in-vitro ADAARO C[NH2+][C@@H](COC)c1ccc(F)cc1 49672375 168036528 /nfs/dbraw/zinc/03/65/28/168036528.db2.gz QLRKJFKCZOWBOM-JTQLQIEISA-N 1 0 183.226 1.733 50 0 ADAARO C[NH2+][C@@H](CCOC)c1ccccc1 42436536 168036605 /nfs/dbraw/zinc/03/66/05/168036605.db2.gz YSUNRYGLSCFPTJ-NSHDSACASA-N 1 0 179.263 1.984 50 0 ADAARO CN[C@@H](C[NH3+])c1ccccc1Cl 34139759 168036889 /nfs/dbraw/zinc/03/68/89/168036889.db2.gz OMMHSSFZVPGELQ-VIFPVBQESA-N 1 0 184.670 1.559 50 0 ADAARO CN[C@@H](C[NH3+])c1ccc(F)cc1 50269848 168037003 /nfs/dbraw/zinc/03/70/03/168037003.db2.gz GSNWKFMRWMKZKJ-VIFPVBQESA-N 1 0 168.215 1.045 50 0 in-vitro ADAARO C[NH2+][C@@H](CO)c1ccccc1C 38121272 168037174 /nfs/dbraw/zinc/03/71/74/168037174.db2.gz HGASBZCHXJKDFH-JTQLQIEISA-N 1 0 165.236 1.248 50 0 ADAARO C[NH2+][C@@H](CCO)c1ccccc1 39234331 168037178 /nfs/dbraw/zinc/03/71/78/168037178.db2.gz FDYZMHZQSAYZNO-JTQLQIEISA-N 1 0 165.236 1.330 50 0 ADAARO C[NH2+][C@@H](CN(C)C)c1ccccc1 22913548 168037275 /nfs/dbraw/zinc/03/72/75/168037275.db2.gz MKQJYCPIRLKEPN-NSHDSACASA-N 1 0 178.279 1.509 50 0 in-vitro ADAARO C[NH2+][C@@H](CO)CC(C)(C)C 61840701 168037439 /nfs/dbraw/zinc/03/74/39/168037439.db2.gz DMGLTEWVNWMGSZ-SSDOTTSWSA-N 1 0 145.246 1.003 50 0 ADAARO C[NH2+][C@@H](COC)Cc1ccccc1 49672366 168037679 /nfs/dbraw/zinc/03/76/79/168037679.db2.gz BULCXIMDELVDSI-LLVKDONJSA-N 1 0 179.263 1.464 50 0 in-vitro ADAARO C[NH2+][C@@H]1CC(C)(C)Cc2n[nH]cc21 83744378 168038182 /nfs/dbraw/zinc/03/81/82/168038182.db2.gz JLDMWBGGETVFNJ-MRVPVSSYSA-N 1 0 179.267 1.643 50 0 ADAARO C[NH2+][C@@H]1CCC=CCC[C@H]1O 113897606 168038358 /nfs/dbraw/zinc/03/83/58/168038358.db2.gz ZIPHROPQEVRVEK-RKDXNWHRSA-N 1 0 155.241 1.066 50 0 ADAARO C[NH2+][C@@H](c1ccccn1)C1CC1 19091477 168038411 /nfs/dbraw/zinc/03/84/11/168038411.db2.gz WRCRSIUKGAUMFD-SNVBAGLBSA-N 1 0 162.236 1.752 50 0 in-vitro ADAARO C[NH2+][C@@H](c1cccnc1)C(C)C 37467526 168038483 /nfs/dbraw/zinc/03/84/83/168038483.db2.gz DNGNRXXCOAVIDS-SNVBAGLBSA-N 1 0 164.252 1.998 50 0 in-vitro ADAARO C[NH2+][C@@H](c1ccccc1)c1ncc[nH]1 87341540 168038526 /nfs/dbraw/zinc/03/85/26/168038526.db2.gz BMWHWEYKWBMGOV-JTQLQIEISA-N 1 0 187.246 1.719 50 0 in-vitro ADAARO C[NH2+][C@@H]1CCC=CCC[C@@H]1O 96194332 168038777 /nfs/dbraw/zinc/03/87/77/168038777.db2.gz ZIPHROPQEVRVEK-BDAKNGLRSA-N 1 0 155.241 1.066 50 0 ADAARO C[NH2+][C@@H]1CCC(C)(C)C1 87769118 168038835 /nfs/dbraw/zinc/03/88/35/168038835.db2.gz UQLWLZGAKVLEGP-SSDOTTSWSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO C[NH2+][C@@H](c1cccnc1)C1CC1 37762072 168039477 /nfs/dbraw/zinc/03/94/77/168039477.db2.gz BWNGWCUFTFMRKT-SNVBAGLBSA-N 1 0 162.236 1.752 50 0 in-vitro ADAARO C[NH2+][C@@H]1CC1(C)C 45134206 168039924 /nfs/dbraw/zinc/03/99/24/168039924.db2.gz PLJZKLHAOXVOPY-RXMQYKEDSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO C[NH2+][C@@H]1CCC[C@@H]1n1cccn1 43989599 168040267 /nfs/dbraw/zinc/04/02/67/168040267.db2.gz SMHGCGNICQWBKK-BDAKNGLRSA-N 1 0 165.240 1.196 50 0 ADAARO C[NH2+][C@@H]1CCCc2n[nH]cc21 20439236 168040289 /nfs/dbraw/zinc/04/02/89/168040289.db2.gz ISHKSHBTYCDAOS-SSDOTTSWSA-N 1 0 151.213 1.007 50 0 ADAARO C[NH2+][C@@H]1CCCC[C@@H]1C 20282078 168040310 /nfs/dbraw/zinc/04/03/10/168040310.db2.gz HMDSHIZGTPRJHT-JGVFFNPUSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO C[NH2+][C@@H]1CCC[C@H]1SC 71790792 168040336 /nfs/dbraw/zinc/04/03/36/168040336.db2.gz XUESANHNKGFEBA-RNFRBKRXSA-N 1 0 145.271 1.490 50 0 in-vitro ADAARO C[NH2+][C@@H]1CCC[C@H]1n1cccn1 43989607 168040544 /nfs/dbraw/zinc/04/05/44/168040544.db2.gz SMHGCGNICQWBKK-RKDXNWHRSA-N 1 0 165.240 1.196 50 0 ADAARO C[NH2+][C@@H]1CCC[C@@H](C)C1 12481488 168040789 /nfs/dbraw/zinc/04/07/89/168040789.db2.gz BQHWWDQRAMXLHH-HTQZYQBOSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO C[NH2+][C@@H]1CCCSC1 61570523 168040836 /nfs/dbraw/zinc/04/08/36/168040836.db2.gz AQPKQBNJFBCYJU-ZCFIWIBFSA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO C[NH2+][C@@H]1CCC[C@@H]1SC 71790790 168040849 /nfs/dbraw/zinc/04/08/49/168040849.db2.gz XUESANHNKGFEBA-RQJHMYQMSA-N 1 0 145.271 1.490 50 0 in-vitro ADAARO C[NH2+][C@@H]1CCCC[C@H]1N(C)C 95079624 168040907 /nfs/dbraw/zinc/04/09/07/168040907.db2.gz MGFSHCOCJMZNSV-RKDXNWHRSA-N 1 0 156.273 1.079 50 0 ADAARO C[NH2+][C@@H]1CCCc2c1cnn2C 37051411 168040992 /nfs/dbraw/zinc/04/09/92/168040992.db2.gz MFIODOVASIYUGJ-MRVPVSSYSA-N 1 0 165.240 1.017 50 0 in-vitro ADAARO C[NH2+][C@@H]1CCC[C@H](C)C1 12481502 168040994 /nfs/dbraw/zinc/04/09/94/168040994.db2.gz BQHWWDQRAMXLHH-JGVFFNPUSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO C[NH2+][C@@H]1CC[C@H](C)C1 6253579 168042230 /nfs/dbraw/zinc/04/22/30/168042230.db2.gz KYMXBBBWJVWQSX-NKWVEPMBSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[NH2+][C@@H]1CC[C@@H](C)C1 6250265 168042403 /nfs/dbraw/zinc/04/24/03/168042403.db2.gz KYMXBBBWJVWQSX-RNFRBKRXSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[NH2+][C@@H]1CC[C@@H](SC)C1 71790346 168042419 /nfs/dbraw/zinc/04/24/19/168042419.db2.gz PCQIKLYNSUNDGZ-RNFRBKRXSA-N 1 0 145.271 1.490 50 0 in-vitro ADAARO C[NH2+][C@@H]1C[C@](C)(OC)C1(C)C 72266369 168042555 /nfs/dbraw/zinc/04/25/55/168042555.db2.gz ODKZIQJFTZFZKF-APPZFPTMSA-N 1 0 157.257 1.409 50 0 in-vitro ADAARO C[NH2+][C@@H]1C[C@@H]1c1ccccc1 39268218 168042707 /nfs/dbraw/zinc/04/27/07/168042707.db2.gz QJNGEXCJXPQCPA-NXEZZACHSA-N 1 0 147.221 1.762 50 0 ADAARO C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 241160580 168042775 /nfs/dbraw/zinc/04/27/75/168042775.db2.gz JYKPJVYIZCJYEC-HTQZYQBOSA-N 1 0 155.241 1.163 50 0 ADAARO C[NH2+][C@@H]1CCc2ccccc2C1 21298507 168042853 /nfs/dbraw/zinc/04/28/53/168042853.db2.gz NZARMFRLPAOETR-LLVKDONJSA-N 1 0 161.248 1.763 50 0 in-vitro ADAARO C[NH2+][C@@H]1C[C@H](OC)C12CCC2 241160582 168042863 /nfs/dbraw/zinc/04/28/63/168042863.db2.gz JYKPJVYIZCJYEC-SFYZADRCSA-N 1 0 155.241 1.163 50 0 ADAARO C[NH2+][C@@H]1CCOC(C)(C)C1 9576507 168042872 /nfs/dbraw/zinc/04/28/72/168042872.db2.gz RQZSZVXPVMGSAB-SSDOTTSWSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO C[NH2+][C@@H]1CC[C@H](SC)C1 71790344 168042896 /nfs/dbraw/zinc/04/28/96/168042896.db2.gz PCQIKLYNSUNDGZ-RQJHMYQMSA-N 1 0 145.271 1.490 50 0 in-vitro ADAARO C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 22009716 168043001 /nfs/dbraw/zinc/04/30/01/168043001.db2.gz UEAYAIWNQQWSBK-GFCCVEGCSA-N 1 0 190.290 1.480 50 0 in-vitro ADAARO C[NH2+][C@@H]1CCc2ccccc2NC1=O 13628567 168043025 /nfs/dbraw/zinc/04/30/25/168043025.db2.gz XLOCQHQJJYDCRW-SNVBAGLBSA-N 1 0 190.246 1.159 50 0 ADAARO C[NH2+][C@@H]1CCc2ccccc21 12505624 168043057 /nfs/dbraw/zinc/04/30/57/168043057.db2.gz AIXUYZODYPPNAV-SNVBAGLBSA-N 1 0 147.221 1.893 50 0 in-vitro ADAARO C[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C 72266367 168043164 /nfs/dbraw/zinc/04/31/64/168043164.db2.gz ODKZIQJFTZFZKF-VXNVDRBHSA-N 1 0 157.257 1.409 50 0 in-vitro ADAARO C[NH2+][C@@H]1CCO[C@H]1c1cccnc1 299805623 168043431 /nfs/dbraw/zinc/04/34/31/168043431.db2.gz YESBIXHXIWXAJC-ZJUUUORDSA-N 1 0 178.235 1.131 50 0 ADAARO C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C 238857033 168043594 /nfs/dbraw/zinc/04/35/94/168043594.db2.gz XUMSRIRVMBFJAI-XLPZGREQSA-N 1 0 155.241 1.019 50 0 in-vitro ADAARO C[NH2+][C@@H]1CCN(c2ccccc2)C1=O 49647787 168043809 /nfs/dbraw/zinc/04/38/09/168043809.db2.gz IGABWECUFIXIIZ-SNVBAGLBSA-N 1 0 190.246 1.011 50 0 in-vitro ADAARO C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 68577322 168043821 /nfs/dbraw/zinc/04/38/21/168043821.db2.gz XUMSRIRVMBFJAI-RNJXMRFFSA-N 1 0 155.241 1.019 50 0 in-vitro ADAARO C[NH2+][C@@H]1C[C@H]1c1ccccc1 38338365 168043972 /nfs/dbraw/zinc/04/39/72/168043972.db2.gz QJNGEXCJXPQCPA-VHSXEESVSA-N 1 0 147.221 1.762 50 0 ADAARO C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C 68577318 168044733 /nfs/dbraw/zinc/04/47/33/168044733.db2.gz XUMSRIRVMBFJAI-PRJMDXOYSA-N 1 0 155.241 1.019 50 0 in-vitro ADAARO C[NH2+][C@@](C)(CO)c1ccccc1 38121100 168045138 /nfs/dbraw/zinc/04/51/38/168045138.db2.gz LVBLQGUNPHWZJY-JTQLQIEISA-N 1 0 165.236 1.114 50 0 in-vitro ADAARO C[NH2+][C@@]1(C)CCCC[C@H]1CO 32098959 168045143 /nfs/dbraw/zinc/04/51/43/168045143.db2.gz RGNCCBYVICNGGY-IUCAKERBSA-N 1 0 157.257 1.147 50 0 in-vitro ADAARO C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C 238857032 168045773 /nfs/dbraw/zinc/04/57/73/168045773.db2.gz XUMSRIRVMBFJAI-BWZBUEFSSA-N 1 0 155.241 1.019 50 0 in-vitro ADAARO C[NH2+][C@@]1(CO)CCc2ccccc21 38121092 168046729 /nfs/dbraw/zinc/04/67/29/168046729.db2.gz HWKYAXTUFUAOBN-LLVKDONJSA-N 1 0 177.247 1.040 50 0 ADAARO C[NH2+][C@H](C(C)=O)c1ccccc1 5883764 168046927 /nfs/dbraw/zinc/04/69/27/168046927.db2.gz LNLNWQQWSFMHBW-SNVBAGLBSA-N 1 0 163.220 1.536 50 0 ADAARO C[NH2+][C@@]1(CO)CCc2ccccc2C1 38121392 168047282 /nfs/dbraw/zinc/04/72/82/168047282.db2.gz YOWLQEXYWOCNOO-LBPRGKRZSA-N 1 0 191.274 1.126 50 0 in-vitro ADAARO C[NH2+][C@H](C)C1(C)CC1 36984223 168048071 /nfs/dbraw/zinc/04/80/71/168048071.db2.gz BLISZBYFASHPAB-ZCFIWIBFSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[NH2+][C@H](C)C(=O)c1cccc(OC)c1 71506326 168048334 /nfs/dbraw/zinc/04/83/34/168048334.db2.gz VAVRRUJYUFACKA-MRVPVSSYSA-N 1 0 193.246 1.486 50 0 in-vitro ADAARO C[NH2+][C@H](C)CCSC 68575920 168048364 /nfs/dbraw/zinc/04/83/64/168048364.db2.gz MYFRYENLDLWAFX-ZCFIWIBFSA-N 1 0 133.260 1.347 50 0 in-vitro ADAARO C[NH2+][C@H](C)C(=O)c1ccccc1F 71789383 168048472 /nfs/dbraw/zinc/04/84/72/168048472.db2.gz DCMOUMKIDLRIBO-SSDOTTSWSA-N 1 0 181.210 1.616 50 0 in-vitro ADAARO C[NH2+][C@H](C)C1CC1 11599595 168048501 /nfs/dbraw/zinc/04/85/01/168048501.db2.gz CBWBPZZRBSZHEE-RXMQYKEDSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO C[NH2+][C@H](C)C1CCC1 83121830 168048564 /nfs/dbraw/zinc/04/85/64/168048564.db2.gz GBWSPAMRIAOHFY-ZCFIWIBFSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[NH2+][C@H](C)CCc1ccc(O)cc1 22216115 168048709 /nfs/dbraw/zinc/04/87/09/168048709.db2.gz ZRHYFBCOBQPTIQ-SECBINFHSA-N 1 0 179.263 1.933 50 0 ADAARO C[NH2+][C@H](C)C(=O)c1cccc(F)c1 44138221 168048753 /nfs/dbraw/zinc/04/87/53/168048753.db2.gz PQIBROLLUQSNQI-SSDOTTSWSA-N 1 0 181.210 1.616 50 0 in-vitro ADAARO C[NH2+][C@H](C)C(=O)c1ccc(OC)cc1 3604299 168048768 /nfs/dbraw/zinc/04/87/68/168048768.db2.gz MQUIHBQDYYAEMH-MRVPVSSYSA-N 1 0 193.246 1.486 50 0 in-man ADAARO C[NH2+][C@H](C)C(=O)c1cccs1 38886091 168048783 /nfs/dbraw/zinc/04/87/83/168048783.db2.gz DOZQPYDMJMLVKX-ZCFIWIBFSA-N 1 0 169.249 1.539 50 0 in-vitro ADAARO C[NH2+][C@H](C)CC(C)C 12896198 168049103 /nfs/dbraw/zinc/04/91/03/168049103.db2.gz OJFLJUCXLKCIHU-SSDOTTSWSA-N 1 0 115.220 1.640 50 0 in-vitro ADAARO C[NH2+][C@H](C)C(C)(C)C 12896152 168049395 /nfs/dbraw/zinc/04/93/95/168049395.db2.gz WVNLIXPHUXNITQ-ZCFIWIBFSA-N 1 0 115.220 1.640 50 0 in-vitro ADAARO C[NH2+][C@H](C)C(C)C 19092184 168049477 /nfs/dbraw/zinc/04/94/77/168049477.db2.gz LJLWVVCWBURGCC-ZCFIWIBFSA-N 1 0 101.193 1.250 50 0 in-vitro ADAARO C[NH2+][C@H](C)C(=O)c1ccccc1 403055 168049522 /nfs/dbraw/zinc/04/95/22/168049522.db2.gz LPLLVINFLBSFRP-MRVPVSSYSA-N 1 0 163.220 1.477 50 0 world ADAARO C[NH2+][C@H](C)C(=O)c1ccc(C)cc1 22062039 168049538 /nfs/dbraw/zinc/04/95/38/168049538.db2.gz YELGFTGWJGBAQU-SECBINFHSA-N 1 0 177.247 1.786 50 0 world ADAARO C[NH2+][C@H](C(N)=O)c1ccc(Cl)cc1 95202010 168049599 /nfs/dbraw/zinc/04/95/99/168049599.db2.gz BGYKMIQJZKQCRF-QMMMGPOBSA-N 1 0 198.653 1.086 50 0 in-vitro ADAARO C[NH2+][C@H](C)C(=O)c1ccc(F)cc1 41609384 168049611 /nfs/dbraw/zinc/04/96/11/168049611.db2.gz MWKQPIROPJSFRI-SSDOTTSWSA-N 1 0 181.210 1.616 50 0 in-vitro ADAARO C[NH2+][C@H](C)[C@@H](O)c1cccc(F)c1 77270735 168049949 /nfs/dbraw/zinc/04/99/49/168049949.db2.gz DGHFNCMIOMIHDW-GMSGAONNSA-N 1 0 183.226 1.467 50 0 in-vitro ADAARO C[NH2+][C@H](C)[C@@H](O)c1ccccc1 74840 168050022 /nfs/dbraw/zinc/05/00/22/168050022.db2.gz KWGRBVOPPLSCSI-PSASIEDQSA-N 1 0 165.236 1.328 50 0 biogenic,in-man ADAARO C[NH2+][C@H](C)Cc1cccs1 6494151 168050137 /nfs/dbraw/zinc/05/01/37/168050137.db2.gz HPHUWHKFQXTZPS-SSDOTTSWSA-N 1 0 155.266 1.899 50 0 in-vitro ADAARO C[NH2+][C@H](C)Cc1cc(C)ccn1 12397651 168050142 /nfs/dbraw/zinc/05/01/42/168050142.db2.gz AKUIALIJZRZKJA-SECBINFHSA-N 1 0 164.252 1.540 50 0 in-vitro ADAARO C[NH2+][C@H](C)Cc1ncccc1C 12397645 168050156 /nfs/dbraw/zinc/05/01/56/168050156.db2.gz MCBVILIYABTIRH-SECBINFHSA-N 1 0 164.252 1.540 50 0 in-vitro ADAARO C[NH2+][C@H](C)COc1ccc(O)cc1 394244 168050269 /nfs/dbraw/zinc/05/02/69/168050269.db2.gz XCSSUDXBLDREPC-MRVPVSSYSA-N 1 0 181.235 1.379 50 0 ADAARO C[NH2+][C@H](C)CCc1ccco1 586712 168050276 /nfs/dbraw/zinc/05/02/76/168050276.db2.gz WWFXMPUDFGFLSQ-MRVPVSSYSA-N 1 0 153.225 1.820 50 0 in-vitro ADAARO C[NH2+][C@H](C)[C@@H]1COc2ccccc2O1 1843882 168050410 /nfs/dbraw/zinc/05/04/10/168050410.db2.gz VUAHSCOJFWABEC-KCJUWKMLSA-N 1 0 193.246 1.434 50 0 in-vitro ADAARO C[NH2+][C@H](C)Cc1cccc2c1OCO2 65743314 168050480 /nfs/dbraw/zinc/05/04/80/168050480.db2.gz RTZIIFGBTSUSEL-MRVPVSSYSA-N 1 0 193.246 1.566 50 0 in-vitro ADAARO C[NH2+][C@H](C)Cc1ccccc1 8466459 168050524 /nfs/dbraw/zinc/05/05/24/168050524.db2.gz MYWUZJCMWCOHBA-SECBINFHSA-N 1 0 149.237 1.837 50 0 fda ADAARO C[NH2+][C@H](C)CNC(=O)OC(C)(C)C 39091088 168050525 /nfs/dbraw/zinc/05/05/25/168050525.db2.gz FIOWXOCWQZXDSB-SSDOTTSWSA-N 1 0 188.271 1.119 50 0 in-vitro ADAARO C[NH2+][C@H](C)Cc1ccc(OC)cc1 3644147 168050549 /nfs/dbraw/zinc/05/05/49/168050549.db2.gz UGFMBZYKVQSQFX-SECBINFHSA-N 1 0 179.263 1.846 50 0 in-vitro ADAARO C[NH2+][C@H](C)Cc1cccc(F)c1 37992896 168050598 /nfs/dbraw/zinc/05/05/98/168050598.db2.gz RRVAUTPWWWFYQT-MRVPVSSYSA-N 1 0 167.227 1.976 50 0 in-vitro ADAARO C[NH2+][C@H](C)Cc1ccccc1OC 156836 168050627 /nfs/dbraw/zinc/05/06/27/168050627.db2.gz OEHAYUOVELTAPG-SECBINFHSA-N 1 0 179.263 1.846 50 0 world ADAARO C[NH2+][C@H](C)Cc1ccc(O)cc1 394355 168050664 /nfs/dbraw/zinc/05/06/64/168050664.db2.gz SBUQZKJEOOQSBV-MRVPVSSYSA-N 1 0 165.236 1.543 50 0 world ADAARO C[NH2+][C@H](C)Cc1ccc(O)c(OC)c1 33902545 168050689 /nfs/dbraw/zinc/05/06/89/168050689.db2.gz UVDWYWYWOMOEFX-MRVPVSSYSA-N 1 0 195.262 1.551 50 0 in-vitro ADAARO C[NH2+][C@H](C)[C@@H](O)c1ccc(F)cc1 71499331 168050708 /nfs/dbraw/zinc/05/07/08/168050708.db2.gz SPEQHEOLWDGWML-GMSGAONNSA-N 1 0 183.226 1.467 50 0 in-vitro ADAARO C[NH2+][C@H](C)[C@@H](O)c1ccc(C)cc1 71497921 168050729 /nfs/dbraw/zinc/05/07/29/168050729.db2.gz DUESQFQLBNOCIT-MWLCHTKSSA-N 1 0 179.263 1.636 50 0 in-vitro ADAARO C[NH2+][C@H](C)Cc1ccsc1 38130826 168050878 /nfs/dbraw/zinc/05/08/78/168050878.db2.gz KFFOOPYCWWXODT-SSDOTTSWSA-N 1 0 155.266 1.899 50 0 in-vitro ADAARO C[NH2+][C@H](C)Cc1ccc2c(c1)OCO2 403053 168050935 /nfs/dbraw/zinc/05/09/35/168050935.db2.gz SHXWCVYOXRDMCX-MRVPVSSYSA-N 1 0 193.246 1.566 50 0 investigational ADAARO C[NH2+][C@H](C)[C@@H]1Cc2ccccc2O1 82164023 168050947 /nfs/dbraw/zinc/05/09/47/168050947.db2.gz AVSQIJPHZOZDKP-KCJUWKMLSA-N 1 0 177.247 1.598 50 0 in-vitro ADAARO C[NH2+][C@H](C)Cc1ccccc1F 11596736 168051084 /nfs/dbraw/zinc/05/10/84/168051084.db2.gz XNWIKJYFOIDUGD-MRVPVSSYSA-N 1 0 167.227 1.976 50 0 in-vitro ADAARO C[NH2+][C@H](C)Cc1ccccn1 3634119 168051110 /nfs/dbraw/zinc/05/11/10/168051110.db2.gz LRCYOGDMXYPZAE-MRVPVSSYSA-N 1 0 150.225 1.232 50 0 in-vitro ADAARO C[NH2+][C@H](C)Cc1ccc(F)cc1 11596744 168051113 /nfs/dbraw/zinc/05/11/13/168051113.db2.gz YCWZPIHKUYZTFM-MRVPVSSYSA-N 1 0 167.227 1.976 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1c(C)nn(C)c1C 14807588 168051363 /nfs/dbraw/zinc/05/13/63/168051363.db2.gz XFCLJDYNDBQSHW-ZCFIWIBFSA-N 1 0 167.256 1.317 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1c(C)n[nH]c1C 14807599 168051393 /nfs/dbraw/zinc/05/13/93/168051393.db2.gz VWOMTZAEIFHESG-RXMQYKEDSA-N 1 0 153.229 1.307 50 0 in-vitro ADAARO C[NH2+][C@H](C)[C@H](O)c1ccc(F)cc1 71499328 168051423 /nfs/dbraw/zinc/05/14/23/168051423.db2.gz SPEQHEOLWDGWML-XCBNKYQSSA-N 1 0 183.226 1.467 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1ccccn1 14807026 168051431 /nfs/dbraw/zinc/05/14/31/168051431.db2.gz MJXPDBFDHSMVNS-SSDOTTSWSA-N 1 0 136.198 1.362 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1ccccc1OC 19088596 168051488 /nfs/dbraw/zinc/05/14/88/168051488.db2.gz IQVNCCSGFPMYOW-MRVPVSSYSA-N 1 0 165.236 1.976 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 4125501 168051503 /nfs/dbraw/zinc/05/15/03/168051503.db2.gz MXSHFGAZNKNPHP-MRVPVSSYSA-N 1 0 193.246 1.738 50 0 ADAARO C[NH2+][C@H](C)c1ccc(O)cc1 20281354 168051515 /nfs/dbraw/zinc/05/15/15/168051515.db2.gz AMTZDPYULUUNIX-SSDOTTSWSA-N 1 0 151.209 1.673 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1ccccc1 2507436 168051687 /nfs/dbraw/zinc/05/16/87/168051687.db2.gz RCSSHZGQHHEHPZ-MRVPVSSYSA-N 1 0 135.210 1.967 50 0 in-vitro ADAARO C[NH2+][C@H](C)[C@H](O)c1ccc(C)c(C)c1 71506485 168051872 /nfs/dbraw/zinc/05/18/72/168051872.db2.gz AZUNPXPNKMYKDF-PWSUYJOCSA-N 1 0 193.290 1.945 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1ccncc1 19093497 168051909 /nfs/dbraw/zinc/05/19/09/168051909.db2.gz MUIKHERDKLRMFH-SSDOTTSWSA-N 1 0 136.198 1.362 50 0 in-vitro ADAARO C[NH2+][C@H](C)[C@H](O)c1cccc(F)c1 77270725 168052094 /nfs/dbraw/zinc/05/20/94/168052094.db2.gz DGHFNCMIOMIHDW-XCBNKYQSSA-N 1 0 183.226 1.467 50 0 ADAARO C[NH2+][C@H](C)[C@H]1COc2ccccc2O1 5751689 168052184 /nfs/dbraw/zinc/05/21/84/168052184.db2.gz VUAHSCOJFWABEC-LDYMZIIASA-N 1 0 193.246 1.434 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1nccs1 39134601 168052198 /nfs/dbraw/zinc/05/21/98/168052198.db2.gz LQNHSIORGPFNFA-RXMQYKEDSA-N 1 0 142.227 1.424 50 0 in-vitro ADAARO C[NH2+][C@H](C)[C@H](O)c1ccc(C)cc1 71497924 168052234 /nfs/dbraw/zinc/05/22/34/168052234.db2.gz DUESQFQLBNOCIT-KOLCDFICSA-N 1 0 179.263 1.636 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1cccnc1 14807033 168052247 /nfs/dbraw/zinc/05/22/47/168052247.db2.gz RYLMQQMCVLCCOT-SSDOTTSWSA-N 1 0 136.198 1.362 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 51283 168052283 /nfs/dbraw/zinc/05/22/83/168052283.db2.gz OVAURWWPGDNSAN-MRVPVSSYSA-N 1 0 195.262 1.984 50 0 ADAARO C[NH2+][C@H](C)c1ccc(OC)cc1OC 191213 168052331 /nfs/dbraw/zinc/05/23/31/168052331.db2.gz QOOWQASTOPJHKE-MRVPVSSYSA-N 1 0 195.262 1.984 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1ccco1 4488341 168052354 /nfs/dbraw/zinc/05/23/54/168052354.db2.gz BNBCJNJOLJAPMQ-ZCFIWIBFSA-N 1 0 125.171 1.560 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1ccc(OC)cc1 12383710 168052400 /nfs/dbraw/zinc/05/24/00/168052400.db2.gz DUUDSVJQKGZSDN-MRVPVSSYSA-N 1 0 165.236 1.976 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1cccc(OC)c1 19088602 168052526 /nfs/dbraw/zinc/05/25/26/168052526.db2.gz QZEPBVRIPQSJDG-MRVPVSSYSA-N 1 0 165.236 1.976 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 72266520 168052643 /nfs/dbraw/zinc/05/26/43/168052643.db2.gz SCSJPBNMIUJMPJ-OQPBUACISA-N 1 0 197.303 1.704 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1cccc(O)c1 21954100 168052704 /nfs/dbraw/zinc/05/27/04/168052704.db2.gz AEOMELCUDZBIFY-SSDOTTSWSA-N 1 0 151.209 1.673 50 0 in-vitro ADAARO C[NH2+][C@H](C)[C@H](O)c1ccccc1 74838 168052779 /nfs/dbraw/zinc/05/27/79/168052779.db2.gz KWGRBVOPPLSCSI-SCZZXKLOSA-N 1 0 165.236 1.328 50 0 biogenic,in-man ADAARO C[NH2+][C@H](C)[C@H]1Cc2ccccc2O1 82164028 168052816 /nfs/dbraw/zinc/05/28/16/168052816.db2.gz AVSQIJPHZOZDKP-LDYMZIIASA-N 1 0 177.247 1.598 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1ccoc1 8535365 168052965 /nfs/dbraw/zinc/05/29/65/168052965.db2.gz BNKBQZFCTFGJOU-ZCFIWIBFSA-N 1 0 125.171 1.560 50 0 in-vitro ADAARO C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 72266518 168052981 /nfs/dbraw/zinc/05/29/81/168052981.db2.gz SCSJPBNMIUJMPJ-AMIZOPFISA-N 1 0 197.303 1.704 50 0 in-vitro ADAARO C[NH2+][C@H](COC)c1ccc(F)cc1 49672376 168053131 /nfs/dbraw/zinc/05/31/31/168053131.db2.gz QLRKJFKCZOWBOM-SNVBAGLBSA-N 1 0 183.226 1.733 50 0 ADAARO C[NH2+][C@H](CO)c1ccc(F)cc1F 38121254 168053402 /nfs/dbraw/zinc/05/34/02/168053402.db2.gz GCQREOUPNNFYQH-SECBINFHSA-N 1 0 187.189 1.218 50 0 ADAARO CN[C@H](C[NH3+])c1ccc(F)cc1 50269849 168053451 /nfs/dbraw/zinc/05/34/51/168053451.db2.gz GSNWKFMRWMKZKJ-SECBINFHSA-N 1 0 168.215 1.045 50 0 in-vitro ADAARO C[NH2+][C@H](CCOC)c1ccccc1 42436537 168053702 /nfs/dbraw/zinc/05/37/02/168053702.db2.gz YSUNRYGLSCFPTJ-LLVKDONJSA-N 1 0 179.263 1.984 50 0 ADAARO C[NH2+][C@H](CO)c1cccc(F)c1 38121204 168053797 /nfs/dbraw/zinc/05/37/97/168053797.db2.gz BJZJXKOFBIKLHY-SECBINFHSA-N 1 0 169.199 1.079 50 0 in-vitro ADAARO C[NH2+][C@H](COC)Cc1ccccc1 49672365 168053850 /nfs/dbraw/zinc/05/38/50/168053850.db2.gz BULCXIMDELVDSI-NSHDSACASA-N 1 0 179.263 1.464 50 0 in-vitro ADAARO C[NH2+][C@H](CO)c1ccccc1C 38121271 168053965 /nfs/dbraw/zinc/05/39/65/168053965.db2.gz HGASBZCHXJKDFH-SNVBAGLBSA-N 1 0 165.236 1.248 50 0 ADAARO C[NH2+][C@H](CCO)c1ccccc1 2530287 168054081 /nfs/dbraw/zinc/05/40/81/168054081.db2.gz FDYZMHZQSAYZNO-SNVBAGLBSA-N 1 0 165.236 1.330 50 0 ADAARO C[NH2+][C@H](CN(C)C)c1ccccc1 19850762 168054326 /nfs/dbraw/zinc/05/43/26/168054326.db2.gz MKQJYCPIRLKEPN-LLVKDONJSA-N 1 0 178.279 1.509 50 0 in-vitro ADAARO C[NH2+][C@H](CN1CCCCC1)C1CC1 68893614 168054467 /nfs/dbraw/zinc/05/44/67/168054467.db2.gz NZZAHGODAJSKSA-LLVKDONJSA-N 1 0 182.311 1.470 50 0 ADAARO CN[C@H](C[NH3+])c1ccccc1Cl 34139760 168054490 /nfs/dbraw/zinc/05/44/90/168054490.db2.gz OMMHSSFZVPGELQ-SECBINFHSA-N 1 0 184.670 1.559 50 0 ADAARO C[NH2+][C@H](CO)CC(C)(C)C 61840700 168054598 /nfs/dbraw/zinc/05/45/98/168054598.db2.gz DMGLTEWVNWMGSZ-ZETCQYMHSA-N 1 0 145.246 1.003 50 0 ADAARO C[NH2+][C@H](CO)c1ccc(Cl)cc1 38121258 168054720 /nfs/dbraw/zinc/05/47/20/168054720.db2.gz CGNWAWUYNSXHCV-SECBINFHSA-N 1 0 185.654 1.593 50 0 ADAARO C[NH2+][C@H]1CCC(C)(C)C1 87769117 168054864 /nfs/dbraw/zinc/05/48/64/168054864.db2.gz UQLWLZGAKVLEGP-ZETCQYMHSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO C[NH2+][C@H]1CCCC[C@@H]1N(C)C 95079623 168054939 /nfs/dbraw/zinc/05/49/39/168054939.db2.gz MGFSHCOCJMZNSV-IUCAKERBSA-N 1 0 156.273 1.079 50 0 ADAARO C[NH2+][C@H](c1cccnc1)C1CC1 37762073 168054948 /nfs/dbraw/zinc/05/49/48/168054948.db2.gz BWNGWCUFTFMRKT-JTQLQIEISA-N 1 0 162.236 1.752 50 0 in-vitro ADAARO C[NH2+][C@H]1CCC=CCC[C@H]1O 113897608 168055281 /nfs/dbraw/zinc/05/52/81/168055281.db2.gz ZIPHROPQEVRVEK-DTWKUNHWSA-N 1 0 155.241 1.066 50 0 ADAARO C[NH2+][C@H](c1ccccc1)c1ncc[nH]1 87341542 168055490 /nfs/dbraw/zinc/05/54/90/168055490.db2.gz BMWHWEYKWBMGOV-SNVBAGLBSA-N 1 0 187.246 1.719 50 0 in-vitro ADAARO C[NH2+][C@H]1CC(C)(C)Cc2n[nH]cc21 83744379 168055525 /nfs/dbraw/zinc/05/55/25/168055525.db2.gz JLDMWBGGETVFNJ-QMMMGPOBSA-N 1 0 179.267 1.643 50 0 ADAARO C[NH2+][C@H](c1ccccn1)C1CC1 19091474 168055756 /nfs/dbraw/zinc/05/57/56/168055756.db2.gz WRCRSIUKGAUMFD-JTQLQIEISA-N 1 0 162.236 1.752 50 0 in-vitro ADAARO C[NH2+][C@H]1CCC=CCC[C@@H]1O 96194334 168055881 /nfs/dbraw/zinc/05/58/81/168055881.db2.gz ZIPHROPQEVRVEK-IUCAKERBSA-N 1 0 155.241 1.066 50 0 ADAARO C[NH2+][C@H]1CCCC[C@@H]1C 20282080 168055928 /nfs/dbraw/zinc/05/59/28/168055928.db2.gz HMDSHIZGTPRJHT-YUMQZZPRSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO C[NH2+][C@H]1CC1(C)C 45134205 168056067 /nfs/dbraw/zinc/05/60/67/168056067.db2.gz PLJZKLHAOXVOPY-YFKPBYRVSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO C[NH2+][C@H](c1cccnc1)C(C)C 37467524 168056260 /nfs/dbraw/zinc/05/62/60/168056260.db2.gz DNGNRXXCOAVIDS-JTQLQIEISA-N 1 0 164.252 1.998 50 0 in-vitro ADAARO C[NH2+][C@H]1CCCc2c1cnn2C 37051412 168056516 /nfs/dbraw/zinc/05/65/16/168056516.db2.gz MFIODOVASIYUGJ-QMMMGPOBSA-N 1 0 165.240 1.017 50 0 in-vitro ADAARO C[NH2+][C@H]1CCCc2cccnc21 83823414 168056589 /nfs/dbraw/zinc/05/65/89/168056589.db2.gz ZXTRMHOUGKPHHM-VIFPVBQESA-N 1 0 162.236 1.678 50 0 in-vitro ADAARO C[NH2+][C@H]1CCCc2n[nH]cc21 20439240 168056647 /nfs/dbraw/zinc/05/66/47/168056647.db2.gz ISHKSHBTYCDAOS-ZETCQYMHSA-N 1 0 151.213 1.007 50 0 ADAARO C[NH2+][C@H]1CCC[C@@H](C)C1 12481496 168056860 /nfs/dbraw/zinc/05/68/60/168056860.db2.gz BQHWWDQRAMXLHH-SFYZADRCSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO C[NH2+][C@H]1CCC[C@@H]1n1cccn1 43989603 168057314 /nfs/dbraw/zinc/05/73/14/168057314.db2.gz SMHGCGNICQWBKK-IUCAKERBSA-N 1 0 165.240 1.196 50 0 ADAARO C[NH2+][C@H]1CCC[C@H](C)C1 12481511 168057357 /nfs/dbraw/zinc/05/73/57/168057357.db2.gz BQHWWDQRAMXLHH-YUMQZZPRSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO C[NH2+][C@H]1CCC[C@@H]1SC 71790791 168057731 /nfs/dbraw/zinc/05/77/31/168057731.db2.gz XUESANHNKGFEBA-BQBZGAKWSA-N 1 0 145.271 1.490 50 0 in-vitro ADAARO C[NH2+][C@H]1CCCC[C@H]1C 20282087 168058042 /nfs/dbraw/zinc/05/80/42/168058042.db2.gz HMDSHIZGTPRJHT-SFYZADRCSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO C[NH2+][C@H]1CCCSC1 61570524 168058070 /nfs/dbraw/zinc/05/80/70/168058070.db2.gz AQPKQBNJFBCYJU-LURJTMIESA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO C[NH2+][C@H]1CCC[C@H]1SC 71790793 168058171 /nfs/dbraw/zinc/05/81/71/168058171.db2.gz XUESANHNKGFEBA-NKWVEPMBSA-N 1 0 145.271 1.490 50 0 in-vitro ADAARO C[NH2+][C@H]1CCC[C@H]1n1cccn1 43989611 168058212 /nfs/dbraw/zinc/05/82/12/168058212.db2.gz SMHGCGNICQWBKK-DTWKUNHWSA-N 1 0 165.240 1.196 50 0 ADAARO C[NH2+][C@H]1CC[C@@H](C)C1 6250193 168058643 /nfs/dbraw/zinc/05/86/43/168058643.db2.gz KYMXBBBWJVWQSX-RQJHMYQMSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[NH2+][C@H]1C[C@](C)(OC)C1(C)C 72266370 168058774 /nfs/dbraw/zinc/05/87/74/168058774.db2.gz ODKZIQJFTZFZKF-CBAPKCEASA-N 1 0 157.257 1.409 50 0 in-vitro ADAARO C[NH2+][C@H]1C[C@H](OC)C12CCC2 241160583 168058825 /nfs/dbraw/zinc/05/88/25/168058825.db2.gz JYKPJVYIZCJYEC-YUMQZZPRSA-N 1 0 155.241 1.163 50 0 ADAARO C[NH2+][C@H]1C[C@H](C)O[C@H](C)C1 238853943 168058898 /nfs/dbraw/zinc/05/88/98/168058898.db2.gz LTFZSDZHUIFZIZ-RNLVFQAGSA-N 1 0 143.230 1.162 50 0 ADAARO C[NH2+][C@H]1CCN(c2ccccc2)C1=O 49647788 168058938 /nfs/dbraw/zinc/05/89/38/168058938.db2.gz IGABWECUFIXIIZ-JTQLQIEISA-N 1 0 190.246 1.011 50 0 in-vitro ADAARO C[NH2+][C@H]1CNc2ccccc2C1 79514125 168058960 /nfs/dbraw/zinc/05/89/60/168058960.db2.gz IQDMUSPYIULEGD-SECBINFHSA-N 1 0 162.236 1.243 50 0 in-vitro ADAARO C[NH2+][C@H]1CC[C@@H](SC)C1 71790347 168059143 /nfs/dbraw/zinc/05/91/43/168059143.db2.gz PCQIKLYNSUNDGZ-NKWVEPMBSA-N 1 0 145.271 1.490 50 0 in-vitro ADAARO C[NH2+][C@H]1C[C@@H](OC)C12CCC2 241160581 168059463 /nfs/dbraw/zinc/05/94/63/168059463.db2.gz JYKPJVYIZCJYEC-JGVFFNPUSA-N 1 0 155.241 1.163 50 0 ADAARO C[NH2+][C@H]1CCc2ccccc2NC1=O 13628570 168059491 /nfs/dbraw/zinc/05/94/91/168059491.db2.gz XLOCQHQJJYDCRW-JTQLQIEISA-N 1 0 190.246 1.159 50 0 ADAARO C[NH2+][C@H]1CCN(Cc2ccccc2)C1 22009721 168059502 /nfs/dbraw/zinc/05/95/02/168059502.db2.gz UEAYAIWNQQWSBK-LBPRGKRZSA-N 1 0 190.290 1.480 50 0 in-vitro ADAARO C[NH2+][C@H]1CCc2ccccc2C1 21298511 168059623 /nfs/dbraw/zinc/05/96/23/168059623.db2.gz NZARMFRLPAOETR-NSHDSACASA-N 1 0 161.248 1.763 50 0 in-vitro ADAARO C[NH2+][C@H]1CCc2ccccc21 12505625 168059663 /nfs/dbraw/zinc/05/96/63/168059663.db2.gz AIXUYZODYPPNAV-JTQLQIEISA-N 1 0 147.221 1.893 50 0 in-vitro ADAARO C[NH2+][C@H]1C[C@@H]1c1ccccc1 39184635 168059693 /nfs/dbraw/zinc/05/96/93/168059693.db2.gz QJNGEXCJXPQCPA-ZJUUUORDSA-N 1 0 147.221 1.762 50 0 ADAARO C[NH2+][C@H]1CCOC(C)(C)C1 13654825 168059765 /nfs/dbraw/zinc/05/97/65/168059765.db2.gz RQZSZVXPVMGSAB-ZETCQYMHSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO C[NH2+][C@H]1C[C@@](C)(OC)C1(C)C 72266368 168059808 /nfs/dbraw/zinc/05/98/08/168059808.db2.gz ODKZIQJFTZFZKF-IONNQARKSA-N 1 0 157.257 1.409 50 0 in-vitro ADAARO C[NH2+][C@H]1CC[C@H](C)C1 2535416 168059836 /nfs/dbraw/zinc/05/98/36/168059836.db2.gz KYMXBBBWJVWQSX-BQBZGAKWSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[NH2+][C@H]1CC[C@H](SC)C1 71790345 168060162 /nfs/dbraw/zinc/06/01/62/168060162.db2.gz PCQIKLYNSUNDGZ-BQBZGAKWSA-N 1 0 145.271 1.490 50 0 in-vitro ADAARO C[NH2+][C@H]1C[C@H]1c1ccccc1 39268219 168060309 /nfs/dbraw/zinc/06/03/09/168060309.db2.gz QJNGEXCJXPQCPA-UWVGGRQHSA-N 1 0 147.221 1.762 50 0 ADAARO C[NH2+][C@]1(C)[C@H](C(C)C)CC[C@@]1(C)O 15276468 168060617 /nfs/dbraw/zinc/06/06/17/168060617.db2.gz WFYLMIPDAJFKSH-HBNTYKKESA-N 1 0 185.311 1.782 50 0 ADAARO C[NH2+][C@H]1c2ccccc2C[C@@H]1OC 44044007 168060823 /nfs/dbraw/zinc/06/08/23/168060823.db2.gz OCSVCXRZWSXELG-QWRGUYRKSA-N 1 0 177.247 1.518 50 0 ADAARO C[NH2+][C@](C)(CO)c1ccccc1 38121099 168060933 /nfs/dbraw/zinc/06/09/33/168060933.db2.gz LVBLQGUNPHWZJY-SNVBAGLBSA-N 1 0 165.236 1.114 50 0 in-vitro ADAARO C[NH2+][C@]1(C)[C@@H](C(C)C)CC[C@@]1(C)O 3623121 168061665 /nfs/dbraw/zinc/06/16/65/168061665.db2.gz WFYLMIPDAJFKSH-GMTAPVOTSA-N 1 0 185.311 1.782 50 0 ADAARO C[NH2+][C@]1(CO)CCc2ccccc21 38121091 168062535 /nfs/dbraw/zinc/06/25/35/168062535.db2.gz HWKYAXTUFUAOBN-NSHDSACASA-N 1 0 177.247 1.040 50 0 ADAARO C[NH2+][C@]1(CO)CCc2ccccc2C1 38121391 168063202 /nfs/dbraw/zinc/06/32/02/168063202.db2.gz YOWLQEXYWOCNOO-GFCCVEGCSA-N 1 0 191.274 1.126 50 0 in-vitro ADAARO CNc1cc(OC)cc[nH+]1 104518801 168065198 /nfs/dbraw/zinc/06/51/98/168065198.db2.gz SMTQFLZEYWPDEZ-UHFFFAOYSA-N 1 0 138.170 1.132 50 0 in-vitro ADAARO CNc1cc(C)cc[nH+]1 5423011 168065707 /nfs/dbraw/zinc/06/57/07/168065707.db2.gz XHWNIYRWGATTDA-UHFFFAOYSA-N 1 0 122.171 1.432 50 0 in-vitro ADAARO CNc1cccc(C[NH3+])c1 153945 168066354 /nfs/dbraw/zinc/06/63/54/168066354.db2.gz XDEDGESLTYFNGL-UHFFFAOYSA-N 1 0 136.198 1.187 50 0 in-vitro ADAARO CNc1cccc(C2CC[NH2+]CC2)n1 19686590 168066514 /nfs/dbraw/zinc/06/65/14/168066514.db2.gz XBXQRHSVSFVOGP-UHFFFAOYSA-N 1 0 191.278 1.590 50 0 ADAARO CNc1ccc(OCC[NH+](C)C)cc1 31978457 168066807 /nfs/dbraw/zinc/06/68/07/168066807.db2.gz DNRWVLXLPYRQNN-UHFFFAOYSA-N 1 0 194.278 1.669 50 0 ADAARO CNc1ccc2[nH]c(C)[nH+]c2c1 62796870 168067099 /nfs/dbraw/zinc/06/70/99/168067099.db2.gz DYENYAGZGJWUMN-UHFFFAOYSA-N 1 0 161.208 1.913 50 0 in-vitro ADAARO CNc1cccc(C)[nH+]1 15781040 168067691 /nfs/dbraw/zinc/06/76/91/168067691.db2.gz PFVYSURSVXECJA-UHFFFAOYSA-N 1 0 122.171 1.432 50 0 in-vitro ADAARO CNc1cccc([C@@H]2CCC[NH2+]2)n1 19686651 168067764 /nfs/dbraw/zinc/06/77/64/168067764.db2.gz MJFVHOOIPVHUDD-QMMMGPOBSA-N 1 0 177.251 1.548 50 0 ADAARO CNc1cccc([C@H]2CCC[NH2+]2)n1 19686653 168068199 /nfs/dbraw/zinc/06/81/99/168068199.db2.gz MJFVHOOIPVHUDD-MRVPVSSYSA-N 1 0 177.251 1.548 50 0 ADAARO CNc1cc[nH+]cc1 332647 168068299 /nfs/dbraw/zinc/06/82/99/168068299.db2.gz LSCYTCMNCWMCQE-UHFFFAOYSA-N 1 0 108.144 1.123 50 0 in-vitro ADAARO CNc1cc[nH+]cc1C 8573460 168068451 /nfs/dbraw/zinc/06/84/51/168068451.db2.gz HSOBREMHIAAEND-UHFFFAOYSA-N 1 0 122.171 1.432 50 0 in-vitro ADAARO CNc1cccc(NC)[nH+]1 38350074 168068580 /nfs/dbraw/zinc/06/85/80/168068580.db2.gz YWLKXMKIKWXYSQ-UHFFFAOYSA-N 1 0 137.186 1.165 50 0 in-vitro ADAARO CNc1ccccc1C[NH3+] 13608510 168068885 /nfs/dbraw/zinc/06/88/85/168068885.db2.gz UCXUQHNEOWZPFT-UHFFFAOYSA-N 1 0 136.198 1.187 50 0 ADAARO CNc1cc[nH+]c(C)c1 72230861 168069216 /nfs/dbraw/zinc/06/92/16/168069216.db2.gz HCUFKIUYBRJORR-UHFFFAOYSA-N 1 0 122.171 1.432 50 0 in-vitro ADAARO CNc1[nH+]c(C)ccc1N 39051309 168071036 /nfs/dbraw/zinc/07/10/36/168071036.db2.gz IOZCGIPHFGISTM-UHFFFAOYSA-N 1 0 137.186 1.014 50 0 ADAARO CNc1[nH+]ccc(C)c1N 39051305 168071539 /nfs/dbraw/zinc/07/15/39/168071539.db2.gz RSLMNXRIINTHCF-UHFFFAOYSA-N 1 0 137.186 1.014 50 0 ADAARO CNc1[nH+]cc(C)cc1N 39051307 168072083 /nfs/dbraw/zinc/07/20/83/168072083.db2.gz UAJPVEHDCSHTCJ-UHFFFAOYSA-N 1 0 137.186 1.014 50 0 ADAARO COC(=O)C1(C[NH3+])CCCCC1 12650227 168081298 /nfs/dbraw/zinc/08/12/98/168081298.db2.gz ACVKFIYOVXQWEM-UHFFFAOYSA-N 1 0 171.240 1.069 50 0 in-vitro ADAARO COC(=O)C1([NH3+])CCC(F)(F)CC1 95643185 168081500 /nfs/dbraw/zinc/08/15/00/168081500.db2.gz MXZJFANNNXYGJK-UHFFFAOYSA-N 1 0 193.193 1.066 50 0 ADAARO COC(=O)C12CCC([NH3+])(CC1)CC2 72482129 168081590 /nfs/dbraw/zinc/08/15/90/168081590.db2.gz HDIKFAFEMDBXOS-UHFFFAOYSA-N 1 0 183.251 1.211 50 0 in-vitro ADAARO COC(=O)C1([NH3+])CCC(C)CC1 36379431 168081695 /nfs/dbraw/zinc/08/16/95/168081695.db2.gz QXRALRQVSKYBDB-UHFFFAOYSA-N 1 0 171.240 1.067 50 0 biogenic,in-vitro ADAARO COC(=O)C1([NH3+])CCCCCC1 54917654 168082714 /nfs/dbraw/zinc/08/27/14/168082714.db2.gz GPZHQNYVDQMZDP-UHFFFAOYSA-N 1 0 171.240 1.211 50 0 in-vitro ADAARO COC(=O)C1([NH3+])CCCCCCC1 54967500 168082736 /nfs/dbraw/zinc/08/27/36/168082736.db2.gz LLDGFHBTNMXXOL-UHFFFAOYSA-N 1 0 185.267 1.601 50 0 in-vitro ADAARO COC(=O)C12CCCC([NH3+])(CC1)CC2 250369541 168082746 /nfs/dbraw/zinc/08/27/46/168082746.db2.gz NJZJTXGHPNAXKJ-UHFFFAOYSA-N 1 0 197.278 1.601 50 0 ADAARO COC(=O)C1C[C@@H]2CCC[C@H](C1)[NH2+]2 95627688 168083205 /nfs/dbraw/zinc/08/32/05/168083205.db2.gz NYDOQJXLHBYCME-CBLAIPOGSA-N 1 0 183.251 1.080 50 0 ADAARO COC(=O)C1CC(C)(C)[NH2+]C(C)(C)C1 5762121 168083612 /nfs/dbraw/zinc/08/36/12/168083612.db2.gz QIMNOMITQVOFJZ-UHFFFAOYSA-N 1 0 199.294 1.716 50 0 ADAARO COC(=O)C1C[NH+](C2CCCC2)C1 85210118 168083726 /nfs/dbraw/zinc/08/37/26/168083726.db2.gz YJCDPYTUKIJNNS-UHFFFAOYSA-N 1 0 183.251 1.034 50 0 in-vitro ADAARO COC(=O)CC1([NH3+])CCCCCC1 39038921 168084594 /nfs/dbraw/zinc/08/45/94/168084594.db2.gz FCVYTBLHTWLCNY-UHFFFAOYSA-N 1 0 185.267 1.601 50 0 ADAARO COC(=O)CCCCCC[NH3+] 20362930 168084712 /nfs/dbraw/zinc/08/47/12/168084712.db2.gz AZRQWZVPEAHOOA-UHFFFAOYSA-N 1 0 159.229 1.069 50 0 in-vitro ADAARO COC(=O)CCCCCCC[NH3+] 39322786 168085143 /nfs/dbraw/zinc/08/51/43/168085143.db2.gz ZYKOKVARXPKXFW-UHFFFAOYSA-N 1 0 173.256 1.459 50 0 in-vitro ADAARO COC(=O)CC1(C[NH3+])CCCC1 85113187 168085363 /nfs/dbraw/zinc/08/53/63/168085363.db2.gz PKWOIHUJZDEWFL-UHFFFAOYSA-N 1 0 171.240 1.069 50 0 in-vitro ADAARO COC(=O)CC1CC[NH+](C2CC2)CC1 73653387 168085377 /nfs/dbraw/zinc/08/53/77/168085377.db2.gz LMHWGPGHNRVGFU-UHFFFAOYSA-N 1 0 197.278 1.424 50 0 ADAARO COC(=O)CC1CC[NH+](C(C)C)CC1 73653027 168085399 /nfs/dbraw/zinc/08/53/99/168085399.db2.gz KYZSPNDXNHQKHT-UHFFFAOYSA-N 1 0 199.294 1.670 50 0 ADAARO COC(=O)CCC[NH+]1CCCCC1 22538762 168085464 /nfs/dbraw/zinc/08/54/64/168085464.db2.gz KJSCSZQWNCEXBT-UHFFFAOYSA-N 1 0 185.267 1.426 50 0 ADAARO COC(=O)CC1([NH3+])CCCCC1 12650235 168085992 /nfs/dbraw/zinc/08/59/92/168085992.db2.gz RLMHBOGYHKMLFN-UHFFFAOYSA-N 1 0 171.240 1.211 50 0 in-vitro ADAARO COC(=O)CC1(C[NH3+])CCCCC1 26505561 168086190 /nfs/dbraw/zinc/08/61/90/168086190.db2.gz SYKKFHNKTXXXCK-UHFFFAOYSA-N 1 0 185.267 1.459 50 0 in-vitro ADAARO COC(=O)CC[N@H+](C)Cc1ccco1 35122383 168086582 /nfs/dbraw/zinc/08/65/82/168086582.db2.gz HLYYUQPUMYMIKI-UHFFFAOYSA-N 1 0 197.234 1.275 50 0 ADAARO COC(=O)CC[NH2+]C1CCCCC1 19736915 168086843 /nfs/dbraw/zinc/08/68/43/168086843.db2.gz CWBUBKYPXOLPCF-UHFFFAOYSA-N 1 0 185.267 1.472 50 0 ADAARO COC(=O)CC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 2654091 168086874 /nfs/dbraw/zinc/08/68/74/168086874.db2.gz FUUMWUPPJNZKOJ-AOOOYVTPSA-N 1 0 199.294 1.527 50 0 ADAARO COC(=O)CC[NH+]1[C@@H](C)CCC[C@@H]1C 20433393 168086911 /nfs/dbraw/zinc/08/69/11/168086911.db2.gz WQTQTYMJDRTYQY-UWVGGRQHSA-N 1 0 199.294 1.812 50 0 ADAARO COC(=O)CC[NH+]1CCCCCCC1 20303434 168086950 /nfs/dbraw/zinc/08/69/50/168086950.db2.gz BYHVQYRYZSMEOM-UHFFFAOYSA-N 1 0 199.294 1.816 50 0 ADAARO COC(=O)CC[NH2+]Cc1ccccc1 1605967 168087056 /nfs/dbraw/zinc/08/70/56/168087056.db2.gz MVZIUHUSHIYYGP-UHFFFAOYSA-N 1 0 193.246 1.339 50 0 in-vitro ADAARO COC(=O)CC[NH+]1CCCCC1 50803 168087165 /nfs/dbraw/zinc/08/71/65/168087165.db2.gz ANAJGIRVGQSWEN-UHFFFAOYSA-N 1 0 171.240 1.035 50 0 in-vitro ADAARO COC(=O)CC[NH+]1CCCCCC1 1694089 168087442 /nfs/dbraw/zinc/08/74/42/168087442.db2.gz MJCZIVXSJDVDFS-UHFFFAOYSA-N 1 0 185.267 1.426 50 0 in-vitro ADAARO COC(=O)CC[NH2+]CCC(F)(F)F 59313307 168087500 /nfs/dbraw/zinc/08/75/00/168087500.db2.gz OWMUFQWIZWUGKK-UHFFFAOYSA-N 1 0 199.172 1.092 50 0 in-vitro ADAARO COC(=O)CC[N@@H+]1[C@@H](C)CCC[C@H]1C 20433394 168087540 /nfs/dbraw/zinc/08/75/40/168087540.db2.gz WQTQTYMJDRTYQY-AOOOYVTPSA-N 1 0 199.294 1.812 50 0 ADAARO COC(=O)CC[NH+]1C[C@H](C)C[C@@H](C)C1 2654092 168087698 /nfs/dbraw/zinc/08/76/98/168087698.db2.gz FUUMWUPPJNZKOJ-NXEZZACHSA-N 1 0 199.294 1.527 50 0 ADAARO COC(=O)CC[N@@H+]1CCCC[C@@H]1C 1718813 168087766 /nfs/dbraw/zinc/08/77/66/168087766.db2.gz PJCRNZVEJBXMEZ-VIFPVBQESA-N 1 0 185.267 1.424 50 0 ADAARO COC(=O)CC[NH2+]C1CCCC1 19736942 168087784 /nfs/dbraw/zinc/08/77/84/168087784.db2.gz AHYUCALUVDREAN-UHFFFAOYSA-N 1 0 171.240 1.082 50 0 in-vitro ADAARO COC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 2654093 168087910 /nfs/dbraw/zinc/08/79/10/168087910.db2.gz FUUMWUPPJNZKOJ-UWVGGRQHSA-N 1 0 199.294 1.527 50 0 ADAARO COC(=O)CC[NH2+]Cc1cccs1 19736944 168087912 /nfs/dbraw/zinc/08/79/12/168087912.db2.gz KKUIFUZJHVJQPV-UHFFFAOYSA-N 1 0 199.275 1.401 50 0 ADAARO COC(=O)CC[NH+]1CCC(C)CC1 20303571 168087916 /nfs/dbraw/zinc/08/79/16/168087916.db2.gz PQEAMIADYCKBPW-UHFFFAOYSA-N 1 0 185.267 1.281 50 0 ADAARO COC(=O)CC[N@@H+]1CCCC[C@H]1C 4896011 168088088 /nfs/dbraw/zinc/08/80/88/168088088.db2.gz PJCRNZVEJBXMEZ-SECBINFHSA-N 1 0 185.267 1.424 50 0 ADAARO COC(=O)CC[NH+]1[C@H](C)CCC[C@H]1C 20433395 168088159 /nfs/dbraw/zinc/08/81/59/168088159.db2.gz WQTQTYMJDRTYQY-NXEZZACHSA-N 1 0 199.294 1.812 50 0 ADAARO COC(=O)C[N@H+](C)C1CCCCC1 14218085 168088409 /nfs/dbraw/zinc/08/84/09/168088409.db2.gz ASCDCEMEROKJMF-UHFFFAOYSA-N 1 0 185.267 1.424 50 0 ADAARO COC(=O)CC[C@@H]1CCCC[NH2+]1 19090682 168088466 /nfs/dbraw/zinc/08/84/66/168088466.db2.gz WNCDARXPYRSBAF-QMMMGPOBSA-N 1 0 171.240 1.082 50 0 in-vitro ADAARO COC(=O)CCc1cccc(C[NH3+])c1 12359863 168088887 /nfs/dbraw/zinc/08/88/87/168088887.db2.gz WSFASYFZFSTLPQ-UHFFFAOYSA-N 1 0 193.246 1.251 50 0 ADAARO COC(=O)CC[C@H]([NH3+])c1ccccc1 36379899 168088971 /nfs/dbraw/zinc/08/89/71/168088971.db2.gz RYSSAIDSNHUHBF-JTQLQIEISA-N 1 0 193.246 1.640 50 0 in-vitro ADAARO COC(=O)CCc1ccc(C[NH3+])cc1 1678042 168089086 /nfs/dbraw/zinc/08/90/86/168089086.db2.gz OQZWLJLXFNYXKR-UHFFFAOYSA-N 1 0 193.246 1.251 50 0 in-vitro ADAARO COC(=O)CC[C@H]1CCCC[NH2+]1 19090685 168089315 /nfs/dbraw/zinc/08/93/15/168089315.db2.gz WNCDARXPYRSBAF-MRVPVSSYSA-N 1 0 171.240 1.082 50 0 in-vitro ADAARO COC(=O)CC[C@@H]([NH3+])c1ccccc1 36379900 168090015 /nfs/dbraw/zinc/09/00/15/168090015.db2.gz RYSSAIDSNHUHBF-SNVBAGLBSA-N 1 0 193.246 1.640 50 0 in-vitro ADAARO COC(=O)C[N@H+](C)C1CCCC1 37022455 168090042 /nfs/dbraw/zinc/09/00/42/168090042.db2.gz NLSRFHJDTSQIMG-UHFFFAOYSA-N 1 0 171.240 1.034 50 0 ADAARO COC(=O)C[NH+]1CCCCCCC1 20361529 168090413 /nfs/dbraw/zinc/09/04/13/168090413.db2.gz JKPWMDRHIWEUFV-UHFFFAOYSA-N 1 0 185.267 1.426 50 0 ADAARO COC(=O)C[NH+]1CCCCCC1 2548218 168090994 /nfs/dbraw/zinc/09/09/94/168090994.db2.gz GNUZJPUUUCAMNF-UHFFFAOYSA-N 1 0 171.240 1.035 50 0 ADAARO COC(=O)C[N@@H+]1[C@@H](C)CCC[C@H]1C 14194251 168091727 /nfs/dbraw/zinc/09/17/27/168091727.db2.gz BNVZCXZXMXKNOP-DTORHVGOSA-N 1 0 185.267 1.422 50 0 ADAARO COC(=O)C[C@@H](C)[NH+]1CCCC1 35751157 168094520 /nfs/dbraw/zinc/09/45/20/168094520.db2.gz CLIFHFGCXTXFLR-MRVPVSSYSA-N 1 0 171.240 1.034 50 0 ADAARO COC(=O)C[C@@H](C[NH3+])CC(C)C 26505557 168094537 /nfs/dbraw/zinc/09/45/37/168094537.db2.gz JDFPGFRTUSUWNI-QMMMGPOBSA-N 1 0 173.256 1.171 50 0 in-vitro ADAARO COC(=O)C[C@@H]([NH3+])CC1CCCCC1 4312851 168094583 /nfs/dbraw/zinc/09/45/83/168094583.db2.gz UTJSFLKEKYPADT-JTQLQIEISA-N 1 0 199.294 1.847 50 0 ADAARO COC(=O)C[C@@H](C)[NH+]1CCCCC1 35751682 168094817 /nfs/dbraw/zinc/09/48/17/168094817.db2.gz RFKOTZLJKQYWFL-SECBINFHSA-N 1 0 185.267 1.424 50 0 ADAARO COC(=O)C[C@@H]([NH3+])Cc1ccccc1 34238311 168094831 /nfs/dbraw/zinc/09/48/31/168094831.db2.gz JFNXWNUTVYGPMF-JTQLQIEISA-N 1 0 193.246 1.120 50 0 ADAARO COC(=O)C[C@@H]([NH3+])c1cccc(C)c1 19784019 168095274 /nfs/dbraw/zinc/09/52/74/168095274.db2.gz CPKZXZUMMYNVHX-SNVBAGLBSA-N 1 0 193.246 1.558 50 0 ADAARO COC(=O)C[C@@H]([NH3+])c1ccccc1F 4298874 168095298 /nfs/dbraw/zinc/09/52/98/168095298.db2.gz SUVMVUFJILWDSU-SECBINFHSA-N 1 0 197.209 1.389 50 0 biogenic,in-vitro ADAARO COC(=O)C[C@@H]([NH3+])c1cccs1 34781297 168095381 /nfs/dbraw/zinc/09/53/81/168095381.db2.gz AJNFOBUKNGRRKH-ZCFIWIBFSA-N 1 0 185.248 1.311 50 0 in-vitro ADAARO COC(=O)C[C@@H](C[NH3+])c1ccccc1 2021385 168095421 /nfs/dbraw/zinc/09/54/21/168095421.db2.gz QGMLRHACACRFNN-JTQLQIEISA-N 1 0 193.246 1.292 50 0 ADAARO COC(=O)C[C@@H]([NH3+])c1cccc(F)c1 4548958 168095699 /nfs/dbraw/zinc/09/56/99/168095699.db2.gz NZGXGJORNZGEJV-SECBINFHSA-N 1 0 197.209 1.389 50 0 ADAARO COC(=O)C[C@@H]([NH3+])c1ccccc1 286961 168095742 /nfs/dbraw/zinc/09/57/42/168095742.db2.gz XKIOBYHZFPTKCZ-SECBINFHSA-N 1 0 179.219 1.250 50 0 in-vitro ADAARO COC(=O)C[C@@H]([NH3+])c1ccccc1C 4298875 168095870 /nfs/dbraw/zinc/09/58/70/168095870.db2.gz OIKMAUPHKQQGOX-SNVBAGLBSA-N 1 0 193.246 1.558 50 0 in-vitro ADAARO COC(=O)C[C@@H]([NH3+])c1ccc(C)cc1 12504930 168095894 /nfs/dbraw/zinc/09/58/94/168095894.db2.gz PNLNOOURNGVKGL-SNVBAGLBSA-N 1 0 193.246 1.558 50 0 in-vitro ADAARO COC(=O)C[C@@H]([NH3+])C1CCCCC1 15442061 168095898 /nfs/dbraw/zinc/09/58/98/168095898.db2.gz QPIJOUZKOGIOFE-SECBINFHSA-N 1 0 185.267 1.457 50 0 in-vitro ADAARO COC(=O)C[C@@H]([NH3+])c1ccc(F)cc1 15440615 168095903 /nfs/dbraw/zinc/09/59/03/168095903.db2.gz BULPFQGZGPHEBO-SECBINFHSA-N 1 0 197.209 1.389 50 0 ADAARO COC(=O)C[C@H]([NH3+])c1ccccc1 286958 168096012 /nfs/dbraw/zinc/09/60/12/168096012.db2.gz XKIOBYHZFPTKCZ-VIFPVBQESA-N 1 0 179.219 1.250 50 0 in-vitro ADAARO COC(=O)C[C@H]([NH3+])c1cccc(C)c1 19784020 168096184 /nfs/dbraw/zinc/09/61/84/168096184.db2.gz CPKZXZUMMYNVHX-JTQLQIEISA-N 1 0 193.246 1.558 50 0 ADAARO COC(=O)C[C@H](C)[NH+]1CCCC1 35751156 168096443 /nfs/dbraw/zinc/09/64/43/168096443.db2.gz CLIFHFGCXTXFLR-QMMMGPOBSA-N 1 0 171.240 1.034 50 0 ADAARO COC(=O)C[C@H]([NH3+])C1CCCCC1 15442063 168096468 /nfs/dbraw/zinc/09/64/68/168096468.db2.gz QPIJOUZKOGIOFE-VIFPVBQESA-N 1 0 185.267 1.457 50 0 in-vitro ADAARO COC(=O)C[C@H](C[NH3+])CC(C)C 83862696 168096575 /nfs/dbraw/zinc/09/65/75/168096575.db2.gz JDFPGFRTUSUWNI-MRVPVSSYSA-N 1 0 173.256 1.171 50 0 ADAARO COC(=O)C[C@H](C)[NH+]1CCCCC1 35751680 168096626 /nfs/dbraw/zinc/09/66/26/168096626.db2.gz RFKOTZLJKQYWFL-VIFPVBQESA-N 1 0 185.267 1.424 50 0 ADAARO COC(=O)C[C@H]([NH3+])CC1CCCCC1 4312850 168096628 /nfs/dbraw/zinc/09/66/28/168096628.db2.gz UTJSFLKEKYPADT-SNVBAGLBSA-N 1 0 199.294 1.847 50 0 ADAARO COC(=O)C[C@H]([NH3+])c1ccc(C)cc1 12504931 168096639 /nfs/dbraw/zinc/09/66/39/168096639.db2.gz PNLNOOURNGVKGL-JTQLQIEISA-N 1 0 193.246 1.558 50 0 in-vitro ADAARO COC(=O)C[C@H]([NH3+])Cc1ccccc1 34180125 168096691 /nfs/dbraw/zinc/09/66/91/168096691.db2.gz JFNXWNUTVYGPMF-SNVBAGLBSA-N 1 0 193.246 1.120 50 0 ADAARO COC(=O)C[C@H]([NH3+])c1ccccc1C 4298876 168096727 /nfs/dbraw/zinc/09/67/27/168096727.db2.gz OIKMAUPHKQQGOX-JTQLQIEISA-N 1 0 193.246 1.558 50 0 in-vitro ADAARO COC(=O)C[C@H]([NH3+])c1ccccc1F 4298873 168096736 /nfs/dbraw/zinc/09/67/36/168096736.db2.gz SUVMVUFJILWDSU-VIFPVBQESA-N 1 0 197.209 1.389 50 0 biogenic,in-vitro ADAARO COC(=O)C[C@H]([NH3+])c1cccc(F)c1 4548956 168096990 /nfs/dbraw/zinc/09/69/90/168096990.db2.gz NZGXGJORNZGEJV-VIFPVBQESA-N 1 0 197.209 1.389 50 0 ADAARO COC(=O)C[C@H](C[NH3+])c1ccccc1 2021386 168097098 /nfs/dbraw/zinc/09/70/98/168097098.db2.gz QGMLRHACACRFNN-SNVBAGLBSA-N 1 0 193.246 1.292 50 0 ADAARO COC(=O)C[C@H]([NH3+])c1ccc(F)cc1 15440618 168097347 /nfs/dbraw/zinc/09/73/47/168097347.db2.gz BULPFQGZGPHEBO-VIFPVBQESA-N 1 0 197.209 1.389 50 0 ADAARO COC(=O)C[C@H]([NH3+])c1cccs1 34781296 168097440 /nfs/dbraw/zinc/09/74/40/168097440.db2.gz AJNFOBUKNGRRKH-LURJTMIESA-N 1 0 185.248 1.311 50 0 in-vitro ADAARO COC(=O)Nc1cccc(C[NH3+])c1 19816245 168103215 /nfs/dbraw/zinc/10/32/15/168103215.db2.gz NIGLBTSPLCLBKF-UHFFFAOYSA-N 1 0 180.207 1.324 50 0 in-vitro ADAARO COC(=O)Nc1ccc(CC[NH3+])cc1 51601200 168103778 /nfs/dbraw/zinc/10/37/78/168103778.db2.gz OMQBCXRPYILNFQ-UHFFFAOYSA-N 1 0 194.234 1.366 50 0 ADAARO COC(=O)Nc1ccc(C[NH3+])cc1 19816237 168104064 /nfs/dbraw/zinc/10/40/64/168104064.db2.gz HSBBHPHSCXVUQV-UHFFFAOYSA-N 1 0 180.207 1.324 50 0 ADAARO COC(=O)[C@@H](C)C[NH+]1CCC(C)CC1 35133605 168105435 /nfs/dbraw/zinc/10/54/35/168105435.db2.gz XUKLBVAKWHENTH-JTQLQIEISA-N 1 0 199.294 1.527 50 0 ADAARO COC(=O)[C@@H](C)C[NH+]1CCCCCC1 4578497 168106038 /nfs/dbraw/zinc/10/60/38/168106038.db2.gz RGTNCOFLOIQTDF-JTQLQIEISA-N 1 0 199.294 1.672 50 0 ADAARO COC(=O)[C@@H](C)C[NH+]1CCCCC1 393940 168106069 /nfs/dbraw/zinc/10/60/69/168106069.db2.gz UBJHJGYIZOTJCT-VIFPVBQESA-N 1 0 185.267 1.281 50 0 in-vitro ADAARO COC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 44139035 168106083 /nfs/dbraw/zinc/10/60/83/168106083.db2.gz KVMIEZCRDGCHLN-WCBMZHEXSA-N 1 0 193.246 1.496 50 0 in-vitro ADAARO COC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 44139033 168106233 /nfs/dbraw/zinc/10/62/33/168106233.db2.gz KVMIEZCRDGCHLN-WPRPVWTQSA-N 1 0 193.246 1.496 50 0 in-vitro ADAARO COC(=O)[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 225230490 168106459 /nfs/dbraw/zinc/10/64/59/168106459.db2.gz WZKWRCFMDWAEAM-UWVGGRQHSA-N 1 0 199.294 1.527 50 0 ADAARO COC(=O)[C@@H](C[NH3+])c1cccc(C)c1 5815531 168107590 /nfs/dbraw/zinc/10/75/90/168107590.db2.gz HBLWDKGDTYZMAW-JTQLQIEISA-N 1 0 193.246 1.210 50 0 in-vitro ADAARO COC(=O)[C@@H](C[NH3+])c1ccc(C)cc1 57488903 168107628 /nfs/dbraw/zinc/10/76/28/168107628.db2.gz ZQRFCBRDSWEWIW-JTQLQIEISA-N 1 0 193.246 1.210 50 0 in-vitro ADAARO COC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 57490181 168107635 /nfs/dbraw/zinc/10/76/35/168107635.db2.gz WZBDNEMGEJUFCY-VIFPVBQESA-N 1 0 197.209 1.041 50 0 ADAARO COC(=O)[C@@H]([NH3+])C1CCCCC1 57824769 168108160 /nfs/dbraw/zinc/10/81/60/168108160.db2.gz UUSVVDQFPGXFTQ-QMMMGPOBSA-N 1 0 171.240 1.067 50 0 in-vitro ADAARO COC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] 83255488 168110745 /nfs/dbraw/zinc/11/07/45/168110745.db2.gz ZDEKKLLOCHUNDD-CBAPKCEASA-N 1 0 171.240 1.067 50 0 in-vitro ADAARO COC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] 4202750 168110792 /nfs/dbraw/zinc/11/07/92/168110792.db2.gz NLTUVNXVLWWVMX-SFYZADRCSA-N 1 0 171.240 1.067 50 0 in-vitro ADAARO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] 83255491 168110817 /nfs/dbraw/zinc/11/08/17/168110817.db2.gz ZDEKKLLOCHUNDD-IONNQARKSA-N 1 0 171.240 1.067 50 0 in-vitro ADAARO COC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] 35940275 168110842 /nfs/dbraw/zinc/11/08/42/168110842.db2.gz FIFIYSYQCCIIQH-BDAKNGLRSA-N 1 0 185.267 1.457 50 0 in-vitro ADAARO COC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] 74941818 168110860 /nfs/dbraw/zinc/11/08/60/168110860.db2.gz FIFIYSYQCCIIQH-RKDXNWHRSA-N 1 0 185.267 1.457 50 0 in-vitro ADAARO COC(=O)[C@@H]1C[C@@H]([NH3+])c2ccccc21 34213059 168111148 /nfs/dbraw/zinc/11/11/48/168111148.db2.gz ALBVRQVSYZDDKX-NXEZZACHSA-N 1 0 191.230 1.347 50 0 in-vitro ADAARO COC(=O)[C@@H]1C[NH2+]Cc2ccccc21 30678275 168111274 /nfs/dbraw/zinc/11/12/74/168111274.db2.gz BFTRTDONFTXENB-SNVBAGLBSA-N 1 0 191.230 1.046 50 0 in-vitro ADAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 22007343 168111819 /nfs/dbraw/zinc/11/18/19/168111819.db2.gz OITFEJDUSSGRIH-CIUDSAMLSA-N 1 0 183.251 1.080 50 0 in-vitro ADAARO COC(=O)[C@@H]1C[C@H]([NH3+])c2ccccc21 4204046 168112398 /nfs/dbraw/zinc/11/23/98/168112398.db2.gz ALBVRQVSYZDDKX-ZJUUUORDSA-N 1 0 191.230 1.347 50 0 in-vitro ADAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 36424865 168112680 /nfs/dbraw/zinc/11/26/80/168112680.db2.gz OITFEJDUSSGRIH-YIZRAAEISA-N 1 0 183.251 1.080 50 0 in-vitro ADAARO COC(=O)[C@@](C)(C[NH3+])c1ccccc1 5377234 168112993 /nfs/dbraw/zinc/11/29/93/168112993.db2.gz YOOMBTZPWPECKZ-NSHDSACASA-N 1 0 193.246 1.076 50 0 in-vitro ADAARO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 26516132 168113358 /nfs/dbraw/zinc/11/33/58/168113358.db2.gz OITFEJDUSSGRIH-VGMNWLOBSA-N 1 0 183.251 1.080 50 0 in-vitro ADAARO COC(=O)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] 38886207 168113754 /nfs/dbraw/zinc/11/37/54/168113754.db2.gz HGHMWCSHDBTEDN-ZJUUUORDSA-N 1 0 191.230 1.032 50 0 ADAARO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 147068867 168114339 /nfs/dbraw/zinc/11/43/39/168114339.db2.gz OITFEJDUSSGRIH-HLTSFMKQSA-N 1 0 183.251 1.080 50 0 in-vitro ADAARO COC(=O)[C@@]1(C[NH3+])CC12CCCC2 21991141 168115539 /nfs/dbraw/zinc/11/55/39/168115539.db2.gz VWBMKZXMDQPIQY-JTQLQIEISA-N 1 0 183.251 1.069 50 0 ADAARO COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[NH2+][C@H](C3)C2 103526663 168116063 /nfs/dbraw/zinc/11/60/63/168116063.db2.gz UQCPWEIVJPQQNI-WJILXUHTSA-N 1 0 195.262 1.080 50 0 ADAARO COC(=O)[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 35133511 168116791 /nfs/dbraw/zinc/11/67/91/168116791.db2.gz WZKWRCFMDWAEAM-NXEZZACHSA-N 1 0 199.294 1.527 50 0 ADAARO COC(=O)[C@H](C)C[NH+]1CCC(C)CC1 35133604 168117019 /nfs/dbraw/zinc/11/70/19/168117019.db2.gz XUKLBVAKWHENTH-SNVBAGLBSA-N 1 0 199.294 1.527 50 0 ADAARO COC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 32302539 168117293 /nfs/dbraw/zinc/11/72/93/168117293.db2.gz KVMIEZCRDGCHLN-PSASIEDQSA-N 1 0 193.246 1.496 50 0 in-vitro ADAARO COC(=O)[C@H](C)C[NH+]1CCCCCC1 1640016 168117307 /nfs/dbraw/zinc/11/73/07/168117307.db2.gz RGTNCOFLOIQTDF-SNVBAGLBSA-N 1 0 199.294 1.672 50 0 ADAARO COC(=O)[C@H](C)C[N@@H+]1CCC[C@H](C)C1 35133512 168117662 /nfs/dbraw/zinc/11/76/62/168117662.db2.gz WZKWRCFMDWAEAM-VHSXEESVSA-N 1 0 199.294 1.527 50 0 ADAARO COC(=O)[C@H](C)C[NH+]1CCCCC1 1640018 168118003 /nfs/dbraw/zinc/11/80/03/168118003.db2.gz UBJHJGYIZOTJCT-SECBINFHSA-N 1 0 185.267 1.281 50 0 in-vitro ADAARO COC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 38584378 168118549 /nfs/dbraw/zinc/11/85/49/168118549.db2.gz KVMIEZCRDGCHLN-SCZZXKLOSA-N 1 0 193.246 1.496 50 0 in-vitro ADAARO COC(=O)[C@H](C[NH3+])C1CCCCC1 95742443 168119093 /nfs/dbraw/zinc/11/90/93/168119093.db2.gz SSLYRSLFQZIORD-SECBINFHSA-N 1 0 185.267 1.315 50 0 ADAARO COC(=O)[C@H](C[NH3+])c1cccc(C)c1 5815530 168119139 /nfs/dbraw/zinc/11/91/39/168119139.db2.gz HBLWDKGDTYZMAW-SNVBAGLBSA-N 1 0 193.246 1.210 50 0 in-vitro ADAARO COC(=O)[C@H](C[NH3+])c1ccc(C)cc1 57488900 168119327 /nfs/dbraw/zinc/11/93/27/168119327.db2.gz ZQRFCBRDSWEWIW-SNVBAGLBSA-N 1 0 193.246 1.210 50 0 in-vitro ADAARO COC(=O)[C@H](C[NH3+])c1ccc(F)cc1 57490182 168119452 /nfs/dbraw/zinc/11/94/52/168119452.db2.gz WZBDNEMGEJUFCY-SECBINFHSA-N 1 0 197.209 1.041 50 0 ADAARO COC(=O)[C@H]([NH3+])C1CCCCC1 57824766 168119917 /nfs/dbraw/zinc/11/99/17/168119917.db2.gz UUSVVDQFPGXFTQ-MRVPVSSYSA-N 1 0 171.240 1.067 50 0 in-vitro ADAARO COC(=O)[C@H]1CCCC[C@]1(C)[NH3+] 83255485 168121852 /nfs/dbraw/zinc/12/18/52/168121852.db2.gz ZDEKKLLOCHUNDD-APPZFPTMSA-N 1 0 171.240 1.067 50 0 in-vitro ADAARO COC(=O)[C@H]1CCCCCC[C@H]1[NH3+] 74941820 168121886 /nfs/dbraw/zinc/12/18/86/168121886.db2.gz FIFIYSYQCCIIQH-DTWKUNHWSA-N 1 0 185.267 1.457 50 0 in-vitro ADAARO COC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] 74941816 168122004 /nfs/dbraw/zinc/12/20/04/168122004.db2.gz FIFIYSYQCCIIQH-IUCAKERBSA-N 1 0 185.267 1.457 50 0 in-vitro ADAARO COC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] 83255487 168122031 /nfs/dbraw/zinc/12/20/31/168122031.db2.gz ZDEKKLLOCHUNDD-VXNVDRBHSA-N 1 0 171.240 1.067 50 0 in-vitro ADAARO COC(=O)[C@H]1C[C@@H]2CCC[C@H](C1)[NH2+]2 255189133 168122307 /nfs/dbraw/zinc/12/23/07/168122307.db2.gz NYDOQJXLHBYCME-PSVAKVPMSA-N 1 0 183.251 1.080 50 0 ADAARO COC(=O)[C@H]1C[C@H]([NH3+])c2ccccc21 34213058 168122466 /nfs/dbraw/zinc/12/24/66/168122466.db2.gz ALBVRQVSYZDDKX-UWVGGRQHSA-N 1 0 191.230 1.347 50 0 in-vitro ADAARO COC(=O)[C@H]1C[NH2+]Cc2ccccc21 30678277 168122730 /nfs/dbraw/zinc/12/27/30/168122730.db2.gz BFTRTDONFTXENB-JTQLQIEISA-N 1 0 191.230 1.046 50 0 in-vitro ADAARO COC(=O)[C@H]1C[C@@H]([NH3+])c2ccccc21 6003654 168123230 /nfs/dbraw/zinc/12/32/30/168123230.db2.gz ALBVRQVSYZDDKX-VHSXEESVSA-N 1 0 191.230 1.347 50 0 in-vitro ADAARO COC(=O)[C@](C)(C[NH3+])c1ccccc1 5370187 168124532 /nfs/dbraw/zinc/12/45/32/168124532.db2.gz YOOMBTZPWPECKZ-LLVKDONJSA-N 1 0 193.246 1.076 50 0 in-vitro ADAARO COC(=O)[C@]1(C[NH3+])CC12CCCC2 21991144 168125699 /nfs/dbraw/zinc/12/56/99/168125699.db2.gz VWBMKZXMDQPIQY-SNVBAGLBSA-N 1 0 183.251 1.069 50 0 ADAARO COC(=O)c1cc(C[NH3+])ccc1Cl 72232818 168129054 /nfs/dbraw/zinc/12/90/54/168129054.db2.gz ABZGTKWVBFNTTQ-UHFFFAOYSA-N 1 0 199.637 1.585 50 0 in-vitro ADAARO COC(=O)c1ccc(C)c([C@H](C)[NH3+])c1 75845444 168130051 /nfs/dbraw/zinc/13/00/51/168130051.db2.gz PXQBHAHWPLQYFQ-QMMMGPOBSA-N 1 0 193.246 1.801 50 0 ADAARO COC(=O)c1cc2c(s1)CC[NH2+]C2 36220490 168130059 /nfs/dbraw/zinc/13/00/59/168130059.db2.gz OJCNUBLGCOYAOJ-UHFFFAOYSA-N 1 0 197.259 1.180 50 0 ADAARO COC(=O)c1ccc(CCC[NH3+])cc1 34250959 168130167 /nfs/dbraw/zinc/13/01/67/168130167.db2.gz POJGCTWJHFRKNS-UHFFFAOYSA-N 1 0 193.246 1.365 50 0 ADAARO COC(=O)c1ccc(C[NH3+])c(Cl)c1 32914731 168130172 /nfs/dbraw/zinc/13/01/72/168130172.db2.gz VXLLMVXXEXMLNL-UHFFFAOYSA-N 1 0 199.637 1.585 50 0 in-vitro ADAARO COC(=O)c1ccc(C(C)(C)[NH3+])cc1 91690086 168130184 /nfs/dbraw/zinc/13/01/84/168130184.db2.gz SBUZHYFEMUJDEB-UHFFFAOYSA-N 1 0 193.246 1.667 50 0 in-vitro ADAARO COC(=O)c1ccc(C2C[NH2+]C2)cc1 44135296 168130194 /nfs/dbraw/zinc/13/01/94/168130194.db2.gz YNJQTLGUSIHJIX-UHFFFAOYSA-N 1 0 191.230 1.160 50 0 in-vitro ADAARO COC(=O)c1ccc(C[NH3+])c(F)c1 95642514 168130269 /nfs/dbraw/zinc/13/02/69/168130269.db2.gz JIOBWBRCFYROPH-UHFFFAOYSA-N 1 0 183.182 1.071 50 0 in-vitro ADAARO COC(=O)c1ccc(C)c([C@@H](C)[NH3+])c1 75845443 168130292 /nfs/dbraw/zinc/13/02/92/168130292.db2.gz PXQBHAHWPLQYFQ-MRVPVSSYSA-N 1 0 193.246 1.801 50 0 ADAARO COC(=O)c1ccc(C)c(C[NH3+])c1 75844984 168130397 /nfs/dbraw/zinc/13/03/97/168130397.db2.gz PTLNQHZLDYFANT-UHFFFAOYSA-N 1 0 179.219 1.240 50 0 ADAARO COC(=O)c1ccc(C2([NH3+])CC2)cc1 66055218 168130906 /nfs/dbraw/zinc/13/09/06/168130906.db2.gz JUMQWXLIAYMPHT-UHFFFAOYSA-N 1 0 191.230 1.421 50 0 in-vitro ADAARO COC(=O)c1cc2c(s1)C[NH2+]CC2 95764056 168131323 /nfs/dbraw/zinc/13/13/23/168131323.db2.gz ZBFJJGBWKCYVDY-UHFFFAOYSA-N 1 0 197.259 1.180 50 0 ADAARO COC(=O)c1ccc(C[NH+](C)C)cc1 20302771 168131544 /nfs/dbraw/zinc/13/15/44/168131544.db2.gz VRMRUPQVRWFJAV-UHFFFAOYSA-N 1 0 193.246 1.535 50 0 ADAARO COC(=O)c1ccc2c(c1)CC[NH2+]C2 22014374 168131666 /nfs/dbraw/zinc/13/16/66/168131666.db2.gz QFGFDECCVRJKHK-UHFFFAOYSA-N 1 0 191.230 1.119 50 0 in-vitro ADAARO COC(=O)c1ccc(F)c(C[NH3+])c1 75844976 168131690 /nfs/dbraw/zinc/13/16/90/168131690.db2.gz PACCOGMUQRHBLF-UHFFFAOYSA-N 1 0 183.182 1.071 50 0 in-vitro ADAARO COC(=O)c1ccc2c(c1)[C@@H]([NH3+])CC2 113931191 168132022 /nfs/dbraw/zinc/13/20/22/168132022.db2.gz WVMGINRJNBISMA-JTQLQIEISA-N 1 0 191.230 1.419 50 0 ADAARO COC(=O)c1ccc2c(c1)C[NH2+]CC2 13518429 168132267 /nfs/dbraw/zinc/13/22/67/168132267.db2.gz BTRHEGJEBOGNAU-UHFFFAOYSA-N 1 0 191.230 1.119 50 0 in-vitro ADAARO COC(=O)c1ccc([C@H](C)[NH+](C)C)o1 182988 168132301 /nfs/dbraw/zinc/13/23/01/168132301.db2.gz CEAFIEILCGUVOY-ZETCQYMHSA-N 1 0 197.234 1.689 50 0 biogenic ADAARO COC(=O)c1ccc2c[nH+]cn2c1 38973408 168132345 /nfs/dbraw/zinc/13/23/45/168132345.db2.gz MUBQQJSSJDOSKH-UHFFFAOYSA-N 1 0 176.175 1.121 50 0 in-vitro ADAARO COC(=O)c1ccc2c[nH+]c(C)n2c1 238854912 168132430 /nfs/dbraw/zinc/13/24/30/168132430.db2.gz PMBXXTFUUMNPPC-UHFFFAOYSA-N 1 0 190.202 1.429 50 0 in-vitro ADAARO COC(=O)c1ccc([C@@H](C)[NH3+])cc1 19722312 168132661 /nfs/dbraw/zinc/13/26/61/168132661.db2.gz XSYGLHLLQZGWPT-SSDOTTSWSA-N 1 0 179.219 1.493 50 0 in-vitro ADAARO COC(=O)c1ccc2c(c1)C[NH2+]C2 32915085 168132704 /nfs/dbraw/zinc/13/27/04/168132704.db2.gz RSBKALMWYNRSJK-UHFFFAOYSA-N 1 0 177.203 1.076 50 0 in-vitro ADAARO COC(=O)c1ccc2c(c1)CC[C@@H]2[NH3+] 104500638 168132825 /nfs/dbraw/zinc/13/28/25/168132825.db2.gz UOFGALYVZHUWOQ-JTQLQIEISA-N 1 0 191.230 1.419 50 0 ADAARO COC(=O)c1ccc([C@@H](C)[NH+](C)C)o1 182990 168132985 /nfs/dbraw/zinc/13/29/85/168132985.db2.gz CEAFIEILCGUVOY-SSDOTTSWSA-N 1 0 197.234 1.689 50 0 biogenic ADAARO COC(=O)c1ccc2c(c1)[C@H]([NH3+])CC2 104527835 168133022 /nfs/dbraw/zinc/13/30/22/168133022.db2.gz WVMGINRJNBISMA-SNVBAGLBSA-N 1 0 191.230 1.419 50 0 in-vitro ADAARO COC(=O)c1ccc2c(c1)CC[C@H]2[NH3+] 104500644 168133084 /nfs/dbraw/zinc/13/30/84/168133084.db2.gz UOFGALYVZHUWOQ-SNVBAGLBSA-N 1 0 191.230 1.419 50 0 ADAARO COC(=O)c1ccc([C@H](C)[NH3+])cc1 19722314 168133148 /nfs/dbraw/zinc/13/31/48/168133148.db2.gz XSYGLHLLQZGWPT-ZETCQYMHSA-N 1 0 179.219 1.493 50 0 in-vitro ADAARO COC(=O)c1cccc([C@H](C)[NH3+])c1 79045507 168133438 /nfs/dbraw/zinc/13/34/38/168133438.db2.gz JDYAYNLXJBZWGS-ZETCQYMHSA-N 1 0 179.219 1.493 50 0 in-vitro ADAARO COC(=O)c1cccc2c1CC[C@H]2[NH3+] 95786047 168133533 /nfs/dbraw/zinc/13/35/33/168133533.db2.gz KLNIPXIUYFAARZ-SNVBAGLBSA-N 1 0 191.230 1.419 50 0 ADAARO COC(=O)c1cccc2c[nH+]cn12 82046768 168133613 /nfs/dbraw/zinc/13/36/13/168133613.db2.gz KSVWOAUWLZIVRX-UHFFFAOYSA-N 1 0 176.175 1.121 50 0 in-vitro ADAARO COC(=O)c1cccc2c1C[NH2+]CC2 35571274 168133791 /nfs/dbraw/zinc/13/37/91/168133791.db2.gz SPBFKXXXLXRQOM-UHFFFAOYSA-N 1 0 191.230 1.119 50 0 in-vitro ADAARO COC(=O)c1cccc2c1CC[NH2+]C2 16082961 168133911 /nfs/dbraw/zinc/13/39/11/168133911.db2.gz WVVZSRPWKJIQPT-UHFFFAOYSA-N 1 0 191.230 1.119 50 0 in-vitro ADAARO COC(=O)c1cccc2c1C[NH2+]C2 44136847 168134236 /nfs/dbraw/zinc/13/42/36/168134236.db2.gz FSKIFEBBHBMCPU-UHFFFAOYSA-N 1 0 177.203 1.076 50 0 in-vitro ADAARO COC(=O)c1ccn2c[nH+]cc2c1 82046770 168134408 /nfs/dbraw/zinc/13/44/08/168134408.db2.gz ZJHLUKGFEIFPFL-UHFFFAOYSA-N 1 0 176.175 1.121 50 0 in-vitro ADAARO COC(=O)c1cccc2c1CC[C@@H]2[NH3+] 95785799 168134720 /nfs/dbraw/zinc/13/47/20/168134720.db2.gz KLNIPXIUYFAARZ-JTQLQIEISA-N 1 0 191.230 1.419 50 0 ADAARO COC(=O)c1ccccc1C[NH+](C)C 75852221 168134789 /nfs/dbraw/zinc/13/47/89/168134789.db2.gz CSESFGWHSGKBDU-UHFFFAOYSA-N 1 0 193.246 1.535 50 0 in-vitro ADAARO COC(=O)c1cccc([C@@H](C)[NH3+])c1 79045517 168134876 /nfs/dbraw/zinc/13/48/76/168134876.db2.gz JDYAYNLXJBZWGS-SSDOTTSWSA-N 1 0 179.219 1.493 50 0 in-vitro ADAARO COC(=O)c1csc2c1CC[NH2+]C2 85224374 168137343 /nfs/dbraw/zinc/13/73/43/168137343.db2.gz KXGHYODCZRQBOO-UHFFFAOYSA-N 1 0 197.259 1.180 50 0 ADAARO COC(=O)c1coc2c1[C@@H]([NH3+])CCC2 30678361 168138175 /nfs/dbraw/zinc/13/81/75/168138175.db2.gz CSWJHXPCPCQYSL-ZETCQYMHSA-N 1 0 195.218 1.402 50 0 in-vitro ADAARO COC(=O)c1coc2c1[C@H]([NH3+])CCC2 30678358 168138357 /nfs/dbraw/zinc/13/83/57/168138357.db2.gz CSWJHXPCPCQYSL-SSDOTTSWSA-N 1 0 195.218 1.402 50 0 in-vitro ADAARO COC(C[NH2+]Cc1ccccc1)OC 1714063 168140505 /nfs/dbraw/zinc/14/05/05/168140505.db2.gz LODLUMZUJRFPLU-UHFFFAOYSA-N 1 0 195.262 1.395 50 0 in-vitro ADAARO COC(CCCC(C)(C)C[NH3+])OC 95883681 168140577 /nfs/dbraw/zinc/14/05/77/168140577.db2.gz NFUKTNJJTUNMHI-UHFFFAOYSA-N 1 0 189.299 1.761 50 0 in-vitro ADAARO COC(C)(C)C[C@H](C)[NH3+] 20524127 168140619 /nfs/dbraw/zinc/14/06/19/168140619.db2.gz GGSAMCDSFWBGCU-LURJTMIESA-N 1 0 131.219 1.149 50 0 in-vitro ADAARO COC(C)(C)C[C@@H](C)[NH3+] 20524126 168140637 /nfs/dbraw/zinc/14/06/37/168140637.db2.gz GGSAMCDSFWBGCU-ZCFIWIBFSA-N 1 0 131.219 1.149 50 0 in-vitro ADAARO COC(C[NH3+])(OC)c1ccccc1 58519849 168140676 /nfs/dbraw/zinc/14/06/76/168140676.db2.gz SNHNHEMULPNHGU-UHFFFAOYSA-N 1 0 181.235 1.091 50 0 ADAARO COC(C[NH2+]C1CCCCC1)OC 33638574 168140871 /nfs/dbraw/zinc/14/08/71/168140871.db2.gz QSACEZXJVIGRJC-UHFFFAOYSA-N 1 0 187.283 1.528 50 0 ADAARO COC(CC[NH+]1CCCCC1)OC 4786804 168141267 /nfs/dbraw/zinc/14/12/67/168141267.db2.gz ALCCJPFPDHQXAE-UHFFFAOYSA-N 1 0 187.283 1.481 50 0 in-vitro ADAARO COC(C)(C)[C@@H]1CCC[NH2+]1 6661832 168141315 /nfs/dbraw/zinc/14/13/15/168141315.db2.gz ZPGUMFCNPREQSF-ZETCQYMHSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO COC(C)(C)[C@H]1CCC[NH2+]1 40448422 168141365 /nfs/dbraw/zinc/14/13/65/168141365.db2.gz ZPGUMFCNPREQSF-SSDOTTSWSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO COC(OC)[C@H]([NH3+])c1ccccc1 35940067 168142090 /nfs/dbraw/zinc/14/20/90/168142090.db2.gz XAEPJGPTFHSUGJ-SECBINFHSA-N 1 0 181.235 1.305 50 0 in-vitro ADAARO COC(OC)[C@@H]([NH3+])c1ccccc1 83824463 168142257 /nfs/dbraw/zinc/14/22/57/168142257.db2.gz XAEPJGPTFHSUGJ-VIFPVBQESA-N 1 0 181.235 1.305 50 0 in-vitro ADAARO COC(OC)c1ccc(C[NH3+])cc1 168450103 168142807 /nfs/dbraw/zinc/14/28/07/168142807.db2.gz RSPXZDQFZRULSP-UHFFFAOYSA-N 1 0 181.235 1.437 50 0 in-vitro ADAARO COC1(C[NH3+])CCCCCC1 39089391 168143528 /nfs/dbraw/zinc/14/35/28/168143528.db2.gz NCHRTQDYCCCDDN-UHFFFAOYSA-N 1 0 157.257 1.685 50 0 ADAARO COC1(c2ccccc2)C[NH2+]C1 57214396 168143551 /nfs/dbraw/zinc/14/35/51/168143551.db2.gz UQZZKRPLWZRFPB-UHFFFAOYSA-N 1 0 163.220 1.132 50 0 in-vitro ADAARO COC1(C(F)(F)F)CC[NH2+]CC1 71373328 168143734 /nfs/dbraw/zinc/14/37/34/168143734.db2.gz QANLUEMLYOYQIZ-UHFFFAOYSA-N 1 0 183.173 1.317 50 0 ADAARO COC1(OC)CC2(C[NH2+][C@@H]2C(C)C)C1 334163779 168143943 /nfs/dbraw/zinc/14/39/43/168143943.db2.gz FFXJAHPZAQRWHD-SECBINFHSA-N 1 0 199.294 1.384 50 0 ADAARO COC1(C[NH3+])CCC(F)(F)CC1 390822068 168144005 /nfs/dbraw/zinc/14/40/05/168144005.db2.gz ZPJXVHHIIQNWJD-UHFFFAOYSA-N 1 0 179.210 1.540 50 0 ADAARO COC1(C[NH3+])CCC(C(F)F)CC1 390822023 168144249 /nfs/dbraw/zinc/14/42/49/168144249.db2.gz KJLQKZIXXQFMNO-UHFFFAOYSA-N 1 0 193.237 1.786 50 0 ADAARO COC1(C[NH3+])CCC(C)CC1 39089390 168144336 /nfs/dbraw/zinc/14/43/36/168144336.db2.gz NOUGKWPQTLNKSX-UHFFFAOYSA-N 1 0 157.257 1.540 50 0 in-vitro ADAARO COC1(C)CN(c2cc[nH+]c(C)c2)C1 336110396 168144427 /nfs/dbraw/zinc/14/44/27/168144427.db2.gz JVUUCHTYUHIYFU-UHFFFAOYSA-N 1 0 192.262 1.615 50 0 ADAARO COC1(OC)CC2(C[NH2+][C@H]2C(C)C)C1 334163780 168144525 /nfs/dbraw/zinc/14/45/25/168144525.db2.gz FFXJAHPZAQRWHD-VIFPVBQESA-N 1 0 199.294 1.384 50 0 ADAARO COC12CCC([NH3+])(CC1)CC2 94568737 168144538 /nfs/dbraw/zinc/14/45/38/168144538.db2.gz HJIPZKFREVBQJY-UHFFFAOYSA-N 1 0 155.241 1.437 50 0 ADAARO COC1(C[NH3+])CCCCC1 34572433 168144628 /nfs/dbraw/zinc/14/46/28/168144628.db2.gz PRFIMCYSQHWPNP-UHFFFAOYSA-N 1 0 143.230 1.294 50 0 in-vitro ADAARO COC1CCC(C[NH3+])CC1 72284320 168145603 /nfs/dbraw/zinc/14/56/03/168145603.db2.gz VBAPKBJGWWZEDK-UHFFFAOYSA-N 1 0 143.230 1.150 50 0 in-vitro ADAARO COC1CCC(CC[NH3+])CC1 88187495 168145641 /nfs/dbraw/zinc/14/56/41/168145641.db2.gz CDTAOSZEZXQTRJ-UHFFFAOYSA-N 1 0 157.257 1.540 50 0 in-vitro ADAARO COC1CCC(C)(C[NH3+])CC1 77261085 168146095 /nfs/dbraw/zinc/14/60/95/168146095.db2.gz SXYCYEXBRKKWNV-UHFFFAOYSA-N 1 0 157.257 1.540 50 0 ADAARO C[NH2+][C@@H]1CCCC[C@H]1C 20282084 168041744 /nfs/dbraw/zinc/04/17/44/168041744.db2.gz HMDSHIZGTPRJHT-HTQZYQBOSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO C[NH2+][C@@H]1CCCc2cccnc21 83823413 168041826 /nfs/dbraw/zinc/04/18/26/168041826.db2.gz ZXTRMHOUGKPHHM-SECBINFHSA-N 1 0 162.236 1.678 50 0 in-vitro ADAARO COCC(C)(C)CC[NH3+] 62498423 168149957 /nfs/dbraw/zinc/14/99/57/168149957.db2.gz BORAAWRIHXYQJG-UHFFFAOYSA-N 1 0 131.219 1.008 50 0 ADAARO COCC1(CC[NH3+])CCC1 107396891 168150013 /nfs/dbraw/zinc/15/00/13/168150013.db2.gz MWTNXFGVLYZXOB-UHFFFAOYSA-N 1 0 143.230 1.152 50 0 in-vitro ADAARO COCC1(C2CCC2)C[NH2+]C1 390822008 168150211 /nfs/dbraw/zinc/15/02/11/168150211.db2.gz FYQOGJRSBQHDKP-UHFFFAOYSA-N 1 0 155.241 1.023 50 0 ADAARO COCC1([NH3+])CCCCC1 68575888 168150296 /nfs/dbraw/zinc/15/02/96/168150296.db2.gz WHUIPYYPFKFEKJ-UHFFFAOYSA-N 1 0 143.230 1.294 50 0 in-vitro ADAARO COCC1(C[NH3+])CCC(F)(F)CC1 255189424 168150734 /nfs/dbraw/zinc/15/07/34/168150734.db2.gz PUPAROJBOSYCNJ-UHFFFAOYSA-N 1 0 193.237 1.787 50 0 ADAARO COCC1([NH3+])Cc2ccccc2C1 95635360 168150765 /nfs/dbraw/zinc/15/07/65/168150765.db2.gz NDUAWBBPVIUPAH-UHFFFAOYSA-N 1 0 177.247 1.129 50 0 ADAARO COCC(C)(C)C1CC[NH2+]CC1 34068304 168150873 /nfs/dbraw/zinc/15/08/73/168150873.db2.gz JTRKNMZRJOEYFJ-UHFFFAOYSA-N 1 0 171.284 1.659 50 0 in-vitro ADAARO COCC1(C[NH3+])CCCCC1 62498472 168150878 /nfs/dbraw/zinc/15/08/78/168150878.db2.gz KNPNIDPDGVXPCE-UHFFFAOYSA-N 1 0 157.257 1.542 50 0 in-vitro ADAARO COCC1(C[NH3+])CCCC1 19092313 168150894 /nfs/dbraw/zinc/15/08/94/168150894.db2.gz KUCCWLVYHNDZCV-UHFFFAOYSA-N 1 0 143.230 1.152 50 0 in-vitro ADAARO COCC1(C)CC[NH2+]CC1 62951093 168151218 /nfs/dbraw/zinc/15/12/18/168151218.db2.gz IJNPCLRRXFHTIF-UHFFFAOYSA-N 1 0 143.230 1.023 50 0 in-vitro ADAARO COCC1CCC([NH3+])CC1 88267527 168151297 /nfs/dbraw/zinc/15/12/97/168151297.db2.gz KVAVSBWXDWZOFL-UHFFFAOYSA-N 1 0 143.230 1.150 50 0 ADAARO COCC1(c2ccccc2)C[NH2+]C1 160805594 168151359 /nfs/dbraw/zinc/15/13/59/168151359.db2.gz SDXUZFPNDMAUIJ-UHFFFAOYSA-N 1 0 177.247 1.174 50 0 ADAARO COCCC1CC[NH2+]CC1 14632384 168151645 /nfs/dbraw/zinc/15/16/45/168151645.db2.gz ZPGQYQKSLRERDO-UHFFFAOYSA-N 1 0 143.230 1.023 50 0 in-vitro ADAARO COCCCC1CC[NH2+]CC1 19089357 168151770 /nfs/dbraw/zinc/15/17/70/168151770.db2.gz NURGRYWQFPZVLT-UHFFFAOYSA-N 1 0 157.257 1.413 50 0 in-vitro ADAARO COCCC1(C[NH3+])CCCC1 54635636 168151937 /nfs/dbraw/zinc/15/19/37/168151937.db2.gz ZMYGSITVGPOSKC-UHFFFAOYSA-N 1 0 157.257 1.542 50 0 in-vitro ADAARO COCCC1(C[NH3+])CCC1 75772341 168152338 /nfs/dbraw/zinc/15/23/38/168152338.db2.gz DUZWPHTXSOEBCA-UHFFFAOYSA-N 1 0 143.230 1.152 50 0 in-vitro ADAARO COCCC1([NH3+])CCC(F)(F)CC1 83351196 168152606 /nfs/dbraw/zinc/15/26/06/168152606.db2.gz KALFPVJZBHWMIF-UHFFFAOYSA-N 1 0 193.237 1.930 50 0 ADAARO COCCC1([NH3+])CCCC1 53752908 168152829 /nfs/dbraw/zinc/15/28/29/168152829.db2.gz MQHQFWDITNJYKO-UHFFFAOYSA-N 1 0 143.230 1.294 50 0 in-vitro ADAARO COCCC1(C[NH3+])CCCCC1 54635408 168153087 /nfs/dbraw/zinc/15/30/87/168153087.db2.gz ZOUVYWGOFIQDTC-UHFFFAOYSA-N 1 0 171.284 1.932 50 0 in-vitro ADAARO COCCC[NH2+]C1CCCCC1 20142739 168154197 /nfs/dbraw/zinc/15/41/97/168154197.db2.gz GZXHFRKMXHGGAN-UHFFFAOYSA-N 1 0 171.284 1.945 50 0 ADAARO COCCC[NH2+]C1CCCC1 20142155 168155149 /nfs/dbraw/zinc/15/51/49/168155149.db2.gz OFPXSDKHRPODKP-UHFFFAOYSA-N 1 0 157.257 1.555 50 0 ADAARO COCCC[NH2+][C@H](C)c1ccccn1 4537804 168155592 /nfs/dbraw/zinc/15/55/92/168155592.db2.gz NAFSLJVIEUZHHQ-SNVBAGLBSA-N 1 0 194.278 1.769 50 0 ADAARO COCCCOCC1CC[NH2+]CC1 42776072 168155598 /nfs/dbraw/zinc/15/55/98/168155598.db2.gz DEIPERBQJJBABS-UHFFFAOYSA-N 1 0 187.283 1.039 50 0 ADAARO COCCC[NH2+]Cc1ccccn1 2510457 168155728 /nfs/dbraw/zinc/15/57/28/168155728.db2.gz JFILXRCRMWIJCU-UHFFFAOYSA-N 1 0 180.251 1.208 50 0 ADAARO COCCC[NH2+][C@H]1CCSC1 2897671 168155745 /nfs/dbraw/zinc/15/57/45/168155745.db2.gz OIUKTWGBQCQARI-QMMMGPOBSA-N 1 0 175.297 1.118 50 0 ADAARO COCCC[NH2+]Cc1ccco1 13718260 168156038 /nfs/dbraw/zinc/15/60/38/168156038.db2.gz NJEHMJMQTGYMLV-UHFFFAOYSA-N 1 0 169.224 1.406 50 0 ADAARO COCCC[NH2+][C@@H](C)c1ccccn1 2511865 168156045 /nfs/dbraw/zinc/15/60/45/168156045.db2.gz NAFSLJVIEUZHHQ-JTQLQIEISA-N 1 0 194.278 1.769 50 0 ADAARO COCCC[NH2+][C@H](C)c1ccncc1 20142357 168156056 /nfs/dbraw/zinc/15/60/56/168156056.db2.gz RNMGLOCRLYHHMK-SNVBAGLBSA-N 1 0 194.278 1.769 50 0 ADAARO COCCC[NH2+][C@H]1CC[C@@H](C)C1 2897647 168156058 /nfs/dbraw/zinc/15/60/58/168156058.db2.gz SVNNXHGXKCUURQ-ZJUUUORDSA-N 1 0 171.284 1.801 50 0 ADAARO COCCC[NH2+]Cc1ccc(F)cc1 2555543 168156145 /nfs/dbraw/zinc/15/61/45/168156145.db2.gz STRYNRNYZSHRED-UHFFFAOYSA-N 1 0 197.253 1.952 50 0 ADAARO COCCC[NH2+]Cc1ccccc1 2555530 168156161 /nfs/dbraw/zinc/15/61/61/168156161.db2.gz KMHCMZJAEZLRSB-UHFFFAOYSA-N 1 0 179.263 1.813 50 0 in-vitro ADAARO COCCC[NH2+]Cc1cccc(F)c1 20142126 168156214 /nfs/dbraw/zinc/15/62/14/168156214.db2.gz GLKOQDXHFNJQHI-UHFFFAOYSA-N 1 0 197.253 1.952 50 0 ADAARO COCCC[NH2+]Cc1ccccc1F 13718209 168156219 /nfs/dbraw/zinc/15/62/19/168156219.db2.gz TUESHJGOLJDMQO-UHFFFAOYSA-N 1 0 197.253 1.952 50 0 ADAARO COCCCOC[C@@H]1CCC[NH2+]C1 42776064 168156277 /nfs/dbraw/zinc/15/62/77/168156277.db2.gz FRPPTKMRLSWWJJ-SNVBAGLBSA-N 1 0 187.283 1.039 50 0 ADAARO COCCC[NH2+]Cc1ccncc1 6136167 168156283 /nfs/dbraw/zinc/15/62/83/168156283.db2.gz AKJLHLSGKCLQSY-UHFFFAOYSA-N 1 0 180.251 1.208 50 0 in-vitro ADAARO COCCC[NH2+]Cc1cccnc1 2522936 168156297 /nfs/dbraw/zinc/15/62/97/168156297.db2.gz JLQSEDOFFGXCFC-UHFFFAOYSA-N 1 0 180.251 1.208 50 0 in-vitro ADAARO COCCC[NH2+][C@@H]1CC[C@@H](C)C1 2897645 168156566 /nfs/dbraw/zinc/15/65/66/168156566.db2.gz SVNNXHGXKCUURQ-NXEZZACHSA-N 1 0 171.284 1.801 50 0 ADAARO COCCC[NH2+][C@@H]1CC[C@H](C)C1 2897644 168156737 /nfs/dbraw/zinc/15/67/37/168156737.db2.gz SVNNXHGXKCUURQ-VHSXEESVSA-N 1 0 171.284 1.801 50 0 ADAARO COCCCOC[C@H]1CCC[NH2+]C1 42776068 168156747 /nfs/dbraw/zinc/15/67/47/168156747.db2.gz FRPPTKMRLSWWJJ-JTQLQIEISA-N 1 0 187.283 1.039 50 0 ADAARO COCCC[NH2+][C@@H]1CCSC1 2897672 168156924 /nfs/dbraw/zinc/15/69/24/168156924.db2.gz OIUKTWGBQCQARI-MRVPVSSYSA-N 1 0 175.297 1.118 50 0 ADAARO COCCC[NH2+]CCc1ccccc1 13718394 168156953 /nfs/dbraw/zinc/15/69/53/168156953.db2.gz GIOQLLLDNNAIIU-UHFFFAOYSA-N 1 0 193.290 1.855 50 0 ADAARO COCCC[NH2+][C@H]1CC[C@H](C)C1 2897646 168157090 /nfs/dbraw/zinc/15/70/90/168157090.db2.gz SVNNXHGXKCUURQ-UWVGGRQHSA-N 1 0 171.284 1.801 50 0 ADAARO COCCC[NH2+][C@@H](C)c1ccncc1 20142355 168157200 /nfs/dbraw/zinc/15/72/00/168157200.db2.gz RNMGLOCRLYHHMK-JTQLQIEISA-N 1 0 194.278 1.769 50 0 ADAARO COCCC[NH2+]Cc1cccs1 13717835 168157209 /nfs/dbraw/zinc/15/72/09/168157209.db2.gz YBIYAUMKCPNUAI-UHFFFAOYSA-N 1 0 185.292 1.874 50 0 ADAARO COCCCOc1ccc(C[NH3+])cc1 37050769 168157315 /nfs/dbraw/zinc/15/73/15/168157315.db2.gz DONXVVIPTWDLSB-UHFFFAOYSA-N 1 0 195.262 1.561 50 0 in-vitro ADAARO COCCC[C@@H]1CCC[NH2+]C1 8378605 168157370 /nfs/dbraw/zinc/15/73/70/168157370.db2.gz RAJZPRJBARPLQW-VIFPVBQESA-N 1 0 157.257 1.413 50 0 in-vitro ADAARO COCCC[C@@H]1CCCC[NH2+]1 8378603 168157690 /nfs/dbraw/zinc/15/76/90/168157690.db2.gz YECWYDXDKXESES-VIFPVBQESA-N 1 0 157.257 1.555 50 0 in-vitro ADAARO COCCCOc1cccc(C[NH3+])c1 37050768 168157948 /nfs/dbraw/zinc/15/79/48/168157948.db2.gz DTZCDHUTHYMNRA-UHFFFAOYSA-N 1 0 195.262 1.561 50 0 in-vitro ADAARO COCCC[C@H]1CCC[NH2+]C1 8378609 168158259 /nfs/dbraw/zinc/15/82/59/168158259.db2.gz RAJZPRJBARPLQW-SECBINFHSA-N 1 0 157.257 1.413 50 0 in-vitro ADAARO COCCC[C@H]([NH3+])Cc1ccccc1 53816852 168158263 /nfs/dbraw/zinc/15/82/63/168158263.db2.gz YPBVXODZCVRZQH-LBPRGKRZSA-N 1 0 193.290 1.983 50 0 in-vitro ADAARO COCCC[C@@H]([NH3+])Cc1ccccc1 53816853 168158477 /nfs/dbraw/zinc/15/84/77/168158477.db2.gz YPBVXODZCVRZQH-GFCCVEGCSA-N 1 0 193.290 1.983 50 0 in-vitro ADAARO COCCC[C@@H]1CC[NH2+]C1 42784205 168158877 /nfs/dbraw/zinc/15/88/77/168158877.db2.gz IGZUHWDYRQZMKE-MRVPVSSYSA-N 1 0 143.230 1.023 50 0 ADAARO COCCC[C@H]1CCCC[NH2+]1 8378607 168158890 /nfs/dbraw/zinc/15/88/90/168158890.db2.gz YECWYDXDKXESES-SECBINFHSA-N 1 0 157.257 1.555 50 0 in-vitro ADAARO COCCC[C@H]1CC[NH2+]C1 42784206 168159031 /nfs/dbraw/zinc/15/90/31/168159031.db2.gz IGZUHWDYRQZMKE-QMMMGPOBSA-N 1 0 143.230 1.023 50 0 ADAARO COCC[N@H+](C[C@H]1CCOC1)C1CC1 58403843 168159848 /nfs/dbraw/zinc/15/98/48/168159848.db2.gz FUDRKEFPYFQRRB-SNVBAGLBSA-N 1 0 199.294 1.134 50 0 ADAARO COCC[N@H+](Cc1ccco1)C1CC1 58196260 168160484 /nfs/dbraw/zinc/16/04/84/168160484.db2.gz HBGAECWTSPGZLU-UHFFFAOYSA-N 1 0 195.262 1.890 50 0 ADAARO COCC[N@H+](C[C@@H]1CCOC1)C1CC1 58403841 168161989 /nfs/dbraw/zinc/16/19/89/168161989.db2.gz FUDRKEFPYFQRRB-JTQLQIEISA-N 1 0 199.294 1.134 50 0 ADAARO COCC[NH+]1CCCCCCC1 72319277 168162143 /nfs/dbraw/zinc/16/21/43/168162143.db2.gz FWZIYGDBQOOMKS-UHFFFAOYSA-N 1 0 171.284 1.899 50 0 ADAARO COCC[N@@H+]1CCc2ccccc2C1 32843096 168163173 /nfs/dbraw/zinc/16/31/73/168163173.db2.gz SZZCXBDPQVOLHE-UHFFFAOYSA-N 1 0 191.274 1.691 50 0 ADAARO COCCN1Cc2ccccc2C1=[NH2+] 5958287 168163426 /nfs/dbraw/zinc/16/34/26/168163426.db2.gz USMLVDYPWIATOV-UHFFFAOYSA-N 1 0 190.246 1.474 50 0 ADAARO COCCNC(=[NH2+])c1ccc(C)cc1 62995054 168163977 /nfs/dbraw/zinc/16/39/77/168163977.db2.gz OMVFGAIMBZSFFN-UHFFFAOYSA-N 1 0 192.262 1.556 50 0 in-vitro ADAARO COCC[N@@H+]1Cc2cccc(N)c2C1 11730931 168164265 /nfs/dbraw/zinc/16/42/65/168164265.db2.gz LIOIKDHMWUEJNK-UHFFFAOYSA-N 1 0 192.262 1.231 50 0 in-vitro ADAARO COCC[NH2+]C1CCCCCC1 19881149 168165168 /nfs/dbraw/zinc/16/51/68/168165168.db2.gz PBBBLFGDZLEXBK-UHFFFAOYSA-N 1 0 171.284 1.945 50 0 ADAARO COCC[NH2+]C[C@H]1CC=CCC1 20085558 168165330 /nfs/dbraw/zinc/16/53/30/168165330.db2.gz CYEFLNUFKGQJKB-JTQLQIEISA-N 1 0 169.268 1.579 50 0 in-vitro ADAARO COCC[NH2+]CCCc1ccccc1 19738042 168165704 /nfs/dbraw/zinc/16/57/04/168165704.db2.gz YQJANHCNGMBHIB-UHFFFAOYSA-N 1 0 193.290 1.855 50 0 in-vitro ADAARO COCC[NH2+]CCc1ccccc1 10475329 168165808 /nfs/dbraw/zinc/16/58/08/168165808.db2.gz MNWXPJSEFTZSDU-UHFFFAOYSA-N 1 0 179.263 1.465 50 0 in-vitro ADAARO COCC[NH2+]C1CCCCC1 19881717 168165841 /nfs/dbraw/zinc/16/58/41/168165841.db2.gz WLNWJJLFZFNSAW-UHFFFAOYSA-N 1 0 157.257 1.555 50 0 ADAARO COCC[NH2+]C1Cc2ccccc2C1 2894114 168165966 /nfs/dbraw/zinc/16/59/66/168165966.db2.gz WJJJQIAAALUHCD-UHFFFAOYSA-N 1 0 191.274 1.390 50 0 ADAARO COCC[NH2+]C1CCCC1 19881152 168166085 /nfs/dbraw/zinc/16/60/85/168166085.db2.gz KQJSKPGDJLWHCN-UHFFFAOYSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO COCC[NH2+]CC(C)(C)C 19738046 168166105 /nfs/dbraw/zinc/16/61/05/168166105.db2.gz QEUZQXLIJFMEEI-UHFFFAOYSA-N 1 0 145.246 1.269 50 0 ADAARO COCC[NH2+]C1CCSCC1 35120744 168166162 /nfs/dbraw/zinc/16/61/62/168166162.db2.gz MIJOKPWYVGUYPA-UHFFFAOYSA-N 1 0 175.297 1.118 50 0 in-vitro ADAARO COCC[NH2+]CC1CCCCC1 10475332 168166197 /nfs/dbraw/zinc/16/61/97/168166197.db2.gz MKNLLYMCSPXYQB-UHFFFAOYSA-N 1 0 171.284 1.803 50 0 ADAARO COCC[NH2+]C1CCC(C)CC1 4996414 168166213 /nfs/dbraw/zinc/16/62/13/168166213.db2.gz QPVUYHWNAFVNBY-UHFFFAOYSA-N 1 0 171.284 1.801 50 0 ADAARO COCC[NH2+]C(C)(C)C 2516967 168166342 /nfs/dbraw/zinc/16/63/42/168166342.db2.gz PUVVITURPSDTOB-UHFFFAOYSA-N 1 0 131.219 1.021 50 0 in-vitro ADAARO COCC[NH2+]C[C@@H]1CC=CCC1 20085559 168166911 /nfs/dbraw/zinc/16/69/11/168166911.db2.gz CYEFLNUFKGQJKB-SNVBAGLBSA-N 1 0 169.268 1.579 50 0 in-vitro ADAARO COCC[NH2+][C@H]1CCCC[C@@H]1C 19881171 168167153 /nfs/dbraw/zinc/16/71/53/168167153.db2.gz GMXUENGSVUNEKB-UWVGGRQHSA-N 1 0 171.284 1.801 50 0 ADAARO COCC[NH2+][C@H]1CC[C@H](C)C1 70642730 168167197 /nfs/dbraw/zinc/16/71/97/168167197.db2.gz UKTBJVVCFQRSAE-IUCAKERBSA-N 1 0 157.257 1.411 50 0 in-vitro ADAARO COCC[NH2+][C@@H]1CCCC[C@H]1C 19881172 168167247 /nfs/dbraw/zinc/16/72/47/168167247.db2.gz GMXUENGSVUNEKB-NXEZZACHSA-N 1 0 171.284 1.801 50 0 ADAARO COCC[NH2+]Cc1ccoc1 53292869 168167254 /nfs/dbraw/zinc/16/72/54/168167254.db2.gz VRDCMOSNKJTOCR-UHFFFAOYSA-N 1 0 155.197 1.016 50 0 ADAARO COCC[NH2+][C@@H](C)C1CC1 19881413 168167269 /nfs/dbraw/zinc/16/72/69/168167269.db2.gz DZQPYJXLRGGDKY-ZETCQYMHSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO COCC[NH2+][C@H](C)c1ccccc1 19881279 168167291 /nfs/dbraw/zinc/16/72/91/168167291.db2.gz GQGYWDLGMZPBIB-SNVBAGLBSA-N 1 0 179.263 1.984 50 0 in-vitro ADAARO COCC[NH2+]Cc1ccc(C)c(F)c1 52684705 168167327 /nfs/dbraw/zinc/16/73/27/168167327.db2.gz HFJYOCMZEFMUSX-UHFFFAOYSA-N 1 0 197.253 1.870 50 0 ADAARO COCC[NH2+][C@H]1CCCSC1 61570608 168167405 /nfs/dbraw/zinc/16/74/05/168167405.db2.gz LIMGQORCRCCSEC-QMMMGPOBSA-N 1 0 175.297 1.118 50 0 in-vitro ADAARO COCC[NH2+][C@@H]1CCC[C@H]1C 70916722 168167469 /nfs/dbraw/zinc/16/74/69/168167469.db2.gz KBZZKXGGRZDEOS-RKDXNWHRSA-N 1 0 157.257 1.411 50 0 in-vitro ADAARO COCC[NH2+]Cc1ccc(F)cc1C 50569006 168167493 /nfs/dbraw/zinc/16/74/93/168167493.db2.gz LPAYLIRRSDHZLW-UHFFFAOYSA-N 1 0 197.253 1.870 50 0 ADAARO COCCNc1ccc(C[NH3+])cc1 39947600 168167563 /nfs/dbraw/zinc/16/75/63/168167563.db2.gz SNWVYAKOXVAWFU-UHFFFAOYSA-N 1 0 180.251 1.204 50 0 in-vitro ADAARO COCC[NH2+]Cc1cccc(OC)c1 2555545 168167732 /nfs/dbraw/zinc/16/77/32/168167732.db2.gz SZCPVNOHLNRCEQ-UHFFFAOYSA-N 1 0 195.262 1.431 50 0 in-vitro ADAARO COCC[NH2+]Cc1ccccc1OC 2555542 168167764 /nfs/dbraw/zinc/16/77/64/168167764.db2.gz HMVXYUDGGRXXAN-UHFFFAOYSA-N 1 0 195.262 1.431 50 0 in-vitro ADAARO COCC[NH2+]Cc1ccc(C)o1 4298837 168167768 /nfs/dbraw/zinc/16/77/68/168167768.db2.gz OBHOPNYPKFBIPH-UHFFFAOYSA-N 1 0 169.224 1.324 50 0 ADAARO COCC[NH2+][C@@H]1CC[C@H](C)C1 70642732 168167785 /nfs/dbraw/zinc/16/77/85/168167785.db2.gz UKTBJVVCFQRSAE-DTWKUNHWSA-N 1 0 157.257 1.411 50 0 in-vitro ADAARO COCC[NH2+][C@H](C)C1CC1 19881415 168167808 /nfs/dbraw/zinc/16/78/08/168167808.db2.gz DZQPYJXLRGGDKY-SSDOTTSWSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO COCC[NH2+]Cc1ccccc1F 4700293 168167830 /nfs/dbraw/zinc/16/78/30/168167830.db2.gz NDWGOVPDNOAEBH-UHFFFAOYSA-N 1 0 183.226 1.562 50 0 in-vitro ADAARO COCC[NH2+][C@@H]1CCC[C@@H](C)C1 19881186 168167836 /nfs/dbraw/zinc/16/78/36/168167836.db2.gz ZPJKRLCFMBNALH-NXEZZACHSA-N 1 0 171.284 1.801 50 0 ADAARO COCC[NH2+][C@@H](C)c1ccccc1 19881276 168167872 /nfs/dbraw/zinc/16/78/72/168167872.db2.gz GQGYWDLGMZPBIB-JTQLQIEISA-N 1 0 179.263 1.984 50 0 in-vitro ADAARO COCC[NH2+]Cc1scnc1C 53292844 168167897 /nfs/dbraw/zinc/16/78/97/168167897.db2.gz VZELPDMOAUBLOJ-UHFFFAOYSA-N 1 0 186.280 1.188 50 0 in-vitro ADAARO COCC[NH2+][C@@H]1CCCC[C@@H]1C 19881170 168167937 /nfs/dbraw/zinc/16/79/37/168167937.db2.gz GMXUENGSVUNEKB-VHSXEESVSA-N 1 0 171.284 1.801 50 0 ADAARO COCC[NH2+]Cc1cccs1 4205752 168167992 /nfs/dbraw/zinc/16/79/92/168167992.db2.gz XYXJSPNXSOZJFB-UHFFFAOYSA-N 1 0 171.265 1.484 50 0 in-vitro ADAARO COCC[NH2+][C@@H]1CCCSC1 61570607 168168008 /nfs/dbraw/zinc/16/80/08/168168008.db2.gz LIMGQORCRCCSEC-MRVPVSSYSA-N 1 0 175.297 1.118 50 0 in-vitro ADAARO COCC[NH2+]Cc1ccco1 4298838 168168042 /nfs/dbraw/zinc/16/80/42/168168042.db2.gz SORZPLSUZRRMRL-UHFFFAOYSA-N 1 0 155.197 1.016 50 0 in-vitro ADAARO COCC[NH2+][C@H]1CCC[C@@H](C)C1 19881188 168168063 /nfs/dbraw/zinc/16/80/63/168168063.db2.gz ZPJKRLCFMBNALH-ZJUUUORDSA-N 1 0 171.284 1.801 50 0 ADAARO COCC[NH2+]Cc1ccc(F)cc1 2555532 168168072 /nfs/dbraw/zinc/16/80/72/168168072.db2.gz GKBVCPIQDDDVEV-UHFFFAOYSA-N 1 0 183.226 1.562 50 0 ADAARO COCC[NH2+]Cc1ccc(C)cc1 4700297 168168129 /nfs/dbraw/zinc/16/81/29/168168129.db2.gz GMWZORPRRIRCIE-UHFFFAOYSA-N 1 0 179.263 1.731 50 0 in-vitro ADAARO COCC[NH2+]Cc1ccsc1 6678354 168168219 /nfs/dbraw/zinc/16/82/19/168168219.db2.gz FZVKCLMJDZYJHX-UHFFFAOYSA-N 1 0 171.265 1.484 50 0 in-vitro ADAARO COCC[NH2+]Cc1cc(C)n(C)c1C 52789497 168168259 /nfs/dbraw/zinc/16/82/59/168168259.db2.gz KGTAWIARLXQJHD-UHFFFAOYSA-N 1 0 196.294 1.378 50 0 ADAARO COCC[NH2+][C@H]1CCC[C@H](C)C1 19881192 168168293 /nfs/dbraw/zinc/16/82/93/168168293.db2.gz ZPJKRLCFMBNALH-UWVGGRQHSA-N 1 0 171.284 1.801 50 0 ADAARO COCC[NH2+]Cc1sccc1C 16363174 168168296 /nfs/dbraw/zinc/16/82/96/168168296.db2.gz WSQARWVUINZESJ-UHFFFAOYSA-N 1 0 185.292 1.793 50 0 ADAARO COCC[NH2+][C@@H]1CC[C@@H](C)C1 70642731 168168336 /nfs/dbraw/zinc/16/83/36/168168336.db2.gz UKTBJVVCFQRSAE-RKDXNWHRSA-N 1 0 157.257 1.411 50 0 in-vitro ADAARO COCC[NH2+]Cc1ccc(O)cc1 19881117 168168419 /nfs/dbraw/zinc/16/84/19/168168419.db2.gz WCKJURKNTZKNPK-UHFFFAOYSA-N 1 0 181.235 1.128 50 0 ADAARO COCC[NH2+][C@H]1CC[C@@H](C)C1 70642729 168168455 /nfs/dbraw/zinc/16/84/55/168168455.db2.gz UKTBJVVCFQRSAE-BDAKNGLRSA-N 1 0 157.257 1.411 50 0 in-vitro ADAARO COCC[NH2+]Cc1ccc(OC)cc1 2383006 168168490 /nfs/dbraw/zinc/16/84/90/168168490.db2.gz RXQJAXYUATYDOM-UHFFFAOYSA-N 1 0 195.262 1.431 50 0 in-vitro ADAARO COCC[NH2+][C@@H](C)c1nccs1 45206159 168168560 /nfs/dbraw/zinc/16/85/60/168168560.db2.gz CAQJINGSFQVUOA-ZETCQYMHSA-N 1 0 186.280 1.440 50 0 in-vitro ADAARO COCC[NH2+]Cc1cccc(F)c1 6627132 168168580 /nfs/dbraw/zinc/16/85/80/168168580.db2.gz XSOUQNBJVNJSNS-UHFFFAOYSA-N 1 0 183.226 1.562 50 0 ADAARO COCC[NH2+]Cc1ccc(F)c(C)c1 52684781 168168603 /nfs/dbraw/zinc/16/86/03/168168603.db2.gz HQLYUYZISLTELP-UHFFFAOYSA-N 1 0 197.253 1.870 50 0 ADAARO COCC[NH2+][C@H]1CCC[C@@H]1C 70916721 168168624 /nfs/dbraw/zinc/16/86/24/168168624.db2.gz KBZZKXGGRZDEOS-IUCAKERBSA-N 1 0 157.257 1.411 50 0 in-vitro ADAARO COCC[NH2+][C@@H]1CCC[C@@H]1C 70916727 168168656 /nfs/dbraw/zinc/16/86/56/168168656.db2.gz KBZZKXGGRZDEOS-DTWKUNHWSA-N 1 0 157.257 1.411 50 0 in-vitro ADAARO COCC[NH2+][C@H]1CCCC[C@H]1C 19881175 168168659 /nfs/dbraw/zinc/16/86/59/168168659.db2.gz GMXUENGSVUNEKB-ZJUUUORDSA-N 1 0 171.284 1.801 50 0 ADAARO COCC[NH2+]Cc1cccc(O)c1 4700620 168168749 /nfs/dbraw/zinc/16/87/49/168168749.db2.gz CZSIHFFEPZSLGI-UHFFFAOYSA-N 1 0 181.235 1.128 50 0 ADAARO COCC[NH2+][C@H](C)c1nccs1 45206160 168168760 /nfs/dbraw/zinc/16/87/60/168168760.db2.gz CAQJINGSFQVUOA-SSDOTTSWSA-N 1 0 186.280 1.440 50 0 in-vitro ADAARO COCC[NH2+]Cc1ccccc1 3281481 168168768 /nfs/dbraw/zinc/16/87/68/168168768.db2.gz BHKFRWOEIYJBLN-UHFFFAOYSA-N 1 0 165.236 1.423 50 0 in-vitro ADAARO COCC[NH2+][C@@H]1CCC[C@H](C)C1 19881190 168168770 /nfs/dbraw/zinc/16/87/70/168168770.db2.gz ZPJKRLCFMBNALH-VHSXEESVSA-N 1 0 171.284 1.801 50 0 ADAARO COCC[NH2+][C@H]1CCC[C@H]1C 70916714 168168777 /nfs/dbraw/zinc/16/87/77/168168777.db2.gz KBZZKXGGRZDEOS-BDAKNGLRSA-N 1 0 157.257 1.411 50 0 in-vitro ADAARO COCC[NH2+]Cc1cccn1C(C)C 45205850 168168808 /nfs/dbraw/zinc/16/88/08/168168808.db2.gz YEYIVLHPWGUWPD-UHFFFAOYSA-N 1 0 196.294 1.805 50 0 ADAARO COCC[NH2+]Cc1ccccc1C 16362705 168168824 /nfs/dbraw/zinc/16/88/24/168168824.db2.gz NQMOIXUDYIQORO-UHFFFAOYSA-N 1 0 179.263 1.731 50 0 in-vitro ADAARO COCC[NH2+]Cc1ccc(C)s1 8551026 168168906 /nfs/dbraw/zinc/16/89/06/168168906.db2.gz XIZOKDRATVFZLN-UHFFFAOYSA-N 1 0 185.292 1.793 50 0 in-vitro ADAARO COCCOC[C@@H]([NH3+])c1ccccc1 19399545 168169144 /nfs/dbraw/zinc/16/91/44/168169144.db2.gz XHXIDDFHPJMKST-LLVKDONJSA-N 1 0 195.262 1.349 50 0 ADAARO COCCOCc1ccc(C[NH3+])cc1 19404664 168169168 /nfs/dbraw/zinc/16/91/68/168169168.db2.gz YRPNQCWVLXTEPV-UHFFFAOYSA-N 1 0 195.262 1.308 50 0 ADAARO COCCOCCC1CC[NH2+]CC1 26516311 168169205 /nfs/dbraw/zinc/16/92/05/168169205.db2.gz CIYZAQZXLPZCSK-UHFFFAOYSA-N 1 0 187.283 1.039 50 0 ADAARO COCCOC[C@H]([NH3+])C(C)(C)C 19403545 168169344 /nfs/dbraw/zinc/16/93/44/168169344.db2.gz DVQKZOVNEXEMIT-QMMMGPOBSA-N 1 0 175.272 1.023 50 0 ADAARO COCCOCC[C@H]1CCC[NH2+]C1 42771597 168169427 /nfs/dbraw/zinc/16/94/27/168169427.db2.gz YMXUHALVRIRJBC-SNVBAGLBSA-N 1 0 187.283 1.039 50 0 ADAARO COCCOCC[C@H]1CCCC[NH2+]1 34972566 168169722 /nfs/dbraw/zinc/16/97/22/168169722.db2.gz HDBXCQLPCZWQHQ-SNVBAGLBSA-N 1 0 187.283 1.182 50 0 ADAARO COCCOC[C@H]([NH3+])c1ccccc1 19399547 168169869 /nfs/dbraw/zinc/16/98/69/168169869.db2.gz XHXIDDFHPJMKST-NSHDSACASA-N 1 0 195.262 1.349 50 0 ADAARO COCCNc1cc[nH+]cc1 21013372 168169899 /nfs/dbraw/zinc/16/98/99/168169899.db2.gz KFHOLWYSEDQVIA-UHFFFAOYSA-N 1 0 152.197 1.140 50 0 in-vitro ADAARO COCCOCC[C@@H]1CCC[NH2+]C1 42771593 168169907 /nfs/dbraw/zinc/16/99/07/168169907.db2.gz YMXUHALVRIRJBC-JTQLQIEISA-N 1 0 187.283 1.039 50 0 ADAARO COCCNc1ccccc1C[NH3+] 53292814 168170108 /nfs/dbraw/zinc/17/01/08/168170108.db2.gz KTXMXFRSKGTYCF-UHFFFAOYSA-N 1 0 180.251 1.204 50 0 in-vitro ADAARO COCCOCC[C@@H]1CCCC[NH2+]1 34972565 168170181 /nfs/dbraw/zinc/17/01/81/168170181.db2.gz HDBXCQLPCZWQHQ-JTQLQIEISA-N 1 0 187.283 1.182 50 0 ADAARO COCCOCc1cccc(C[NH3+])c1 19406581 168170419 /nfs/dbraw/zinc/17/04/19/168170419.db2.gz OOUOXGUEZWUZEW-UHFFFAOYSA-N 1 0 195.262 1.308 50 0 ADAARO COCCOC[C@@H]([NH3+])C(C)(C)C 19403542 168170722 /nfs/dbraw/zinc/17/07/22/168170722.db2.gz DVQKZOVNEXEMIT-MRVPVSSYSA-N 1 0 175.272 1.023 50 0 ADAARO COCCOc1ccc([C@@H](C)[NH3+])cc1 9245979 168171370 /nfs/dbraw/zinc/17/13/70/168171370.db2.gz XGICYQSSRAINFD-SECBINFHSA-N 1 0 195.262 1.732 50 0 ADAARO COCCOc1ccccc1C[NH3+] 19277649 168171389 /nfs/dbraw/zinc/17/13/89/168171389.db2.gz MQPPRLDARZKFDV-UHFFFAOYSA-N 1 0 181.235 1.171 50 0 in-vitro ADAARO COCCOc1ccc(CC[NH3+])cc1 19399851 168171480 /nfs/dbraw/zinc/17/14/80/168171480.db2.gz AJOZXNRWPJYXCF-UHFFFAOYSA-N 1 0 195.262 1.213 50 0 in-vitro ADAARO COCCOc1cc(C)ccc1C[NH3+] 51580605 168171823 /nfs/dbraw/zinc/17/18/23/168171823.db2.gz PXPRWLRSXGSTFB-UHFFFAOYSA-N 1 0 195.262 1.479 50 0 in-vitro ADAARO COCCOc1ccc(C[NH3+])cc1F 20470142 168171968 /nfs/dbraw/zinc/17/19/68/168171968.db2.gz CNHJHPYOVJOBHC-UHFFFAOYSA-N 1 0 199.225 1.310 50 0 ADAARO COCCOc1ccc([C@H](C)[NH3+])cc1 9245978 168172192 /nfs/dbraw/zinc/17/21/92/168172192.db2.gz XGICYQSSRAINFD-VIFPVBQESA-N 1 0 195.262 1.732 50 0 ADAARO COCCOc1ccc(C[NH3+])cc1 19273270 168172225 /nfs/dbraw/zinc/17/22/25/168172225.db2.gz PARWGYPSBMSXSC-UHFFFAOYSA-N 1 0 181.235 1.171 50 0 in-vitro ADAARO COCCOc1cccc(C[NH3+])c1 14000192 168172310 /nfs/dbraw/zinc/17/23/10/168172310.db2.gz LFJMLEFCFRQLPB-UHFFFAOYSA-N 1 0 181.235 1.171 50 0 in-vitro ADAARO COCC[C@@H]([NH3+])c1ccc(C)o1 95221004 168172566 /nfs/dbraw/zinc/17/25/66/168172566.db2.gz KGBKAYCIPIODJY-MRVPVSSYSA-N 1 0 169.224 1.624 50 0 in-vitro ADAARO COCC[C@@H]1CCC[NH2+]C1 14632351 168172845 /nfs/dbraw/zinc/17/28/45/168172845.db2.gz QCNAVBVNYPZZAN-QMMMGPOBSA-N 1 0 143.230 1.023 50 0 ADAARO COCC[C@@H]([NH3+])c1ccco1 54455807 168172967 /nfs/dbraw/zinc/17/29/67/168172967.db2.gz GPWJBLPYJJGYTD-SSDOTTSWSA-N 1 0 155.197 1.316 50 0 in-vitro ADAARO COCC[C@@H]([NH3+])C(C)C 42436470 168172994 /nfs/dbraw/zinc/17/29/94/168172994.db2.gz CXXJHGDHEXDWPQ-SSDOTTSWSA-N 1 0 131.219 1.006 50 0 ADAARO COCC[C@@H]([NH3+])C(C)(C)C 52232174 168173370 /nfs/dbraw/zinc/17/33/70/168173370.db2.gz HNMOBVLDWCTSHU-SSDOTTSWSA-N 1 0 145.246 1.396 50 0 in-vitro ADAARO COCC[C@@H]1CCCC[NH2+]C1 95829605 168173373 /nfs/dbraw/zinc/17/33/73/168173373.db2.gz XMXJFWWVIWEVQJ-VIFPVBQESA-N 1 0 157.257 1.413 50 0 in-vitro ADAARO COCC[C@@H]1CCCC[NH2+]1 14632315 168173711 /nfs/dbraw/zinc/17/37/11/168173711.db2.gz LDHXKGNBNMJSCS-QMMMGPOBSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO COCC[C@@H]1CCCC[N@@H+]1C 15442130 168173738 /nfs/dbraw/zinc/17/37/38/168173738.db2.gz SZEYRCDTSYNTIC-VIFPVBQESA-N 1 0 157.257 1.507 50 0 ADAARO COCC[C@@H]([NH3+])c1cccnc1 42436465 168173800 /nfs/dbraw/zinc/17/38/00/168173800.db2.gz PKZBBYAWXPEBFM-SECBINFHSA-N 1 0 166.224 1.118 50 0 ADAARO COCC[C@H]1CCCC[NH2+]C1 95829606 168174469 /nfs/dbraw/zinc/17/44/69/168174469.db2.gz XMXJFWWVIWEVQJ-SECBINFHSA-N 1 0 157.257 1.413 50 0 in-vitro ADAARO COCC[C@H]([NH3+])c1cccnc1 42436464 168174531 /nfs/dbraw/zinc/17/45/31/168174531.db2.gz PKZBBYAWXPEBFM-VIFPVBQESA-N 1 0 166.224 1.118 50 0 ADAARO COCC[C@H]([NH3+])C(C)C 42436471 168174583 /nfs/dbraw/zinc/17/45/83/168174583.db2.gz CXXJHGDHEXDWPQ-ZETCQYMHSA-N 1 0 131.219 1.006 50 0 ADAARO COCC[n+]1ccc(C)cc1C 2156572 168174859 /nfs/dbraw/zinc/17/48/59/168174859.db2.gz DCVGZHNVJJDMHM-UHFFFAOYSA-N 1 0 166.244 1.237 50 0 ADAARO COCC[C@H]([NH3+])c1ccc(C)o1 95221006 168174946 /nfs/dbraw/zinc/17/49/46/168174946.db2.gz KGBKAYCIPIODJY-QMMMGPOBSA-N 1 0 169.224 1.624 50 0 in-vitro ADAARO COCC[C@H]1CCC[NH2+]C1 14632352 168174974 /nfs/dbraw/zinc/17/49/74/168174974.db2.gz QCNAVBVNYPZZAN-MRVPVSSYSA-N 1 0 143.230 1.023 50 0 ADAARO COCC[C@H]1CCCC[NH2+]1 14632316 168175214 /nfs/dbraw/zinc/17/52/14/168175214.db2.gz LDHXKGNBNMJSCS-MRVPVSSYSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO COCC[C@H]1CCCC[N@@H+]1C 15442131 168175482 /nfs/dbraw/zinc/17/54/82/168175482.db2.gz SZEYRCDTSYNTIC-SECBINFHSA-N 1 0 157.257 1.507 50 0 ADAARO COCC[C@H]([NH3+])c1ccco1 54455805 168175496 /nfs/dbraw/zinc/17/54/96/168175496.db2.gz GPWJBLPYJJGYTD-ZETCQYMHSA-N 1 0 155.197 1.316 50 0 in-vitro ADAARO COCC[C@H]([NH3+])C(C)(C)C 52232177 168175599 /nfs/dbraw/zinc/17/55/99/168175599.db2.gz HNMOBVLDWCTSHU-ZETCQYMHSA-N 1 0 145.246 1.396 50 0 in-vitro ADAARO COCCc1cccc(C[NH3+])c1 96024982 168175775 /nfs/dbraw/zinc/17/57/75/168175775.db2.gz RBEPAYXEBWCUQK-UHFFFAOYSA-N 1 0 165.236 1.334 50 0 in-vitro ADAARO COCCn1c(N)[nH+]c2ccccc21 20586111 168176496 /nfs/dbraw/zinc/17/64/96/168176496.db2.gz ANHAEVBPONKUKB-UHFFFAOYSA-N 1 0 191.234 1.265 50 0 in-vitro ADAARO COC[C@@H](C)C1CC[NH2+]CC1 42383898 168178488 /nfs/dbraw/zinc/17/84/88/168178488.db2.gz CLHALIZKGLFJAS-MRVPVSSYSA-N 1 0 157.257 1.269 50 0 ADAARO COC[C@@H](C)[NH2+]C1CCCC1 19904385 168179995 /nfs/dbraw/zinc/17/99/95/168179995.db2.gz WDLDIVNHTVCBQY-MRVPVSSYSA-N 1 0 157.257 1.554 50 0 ADAARO COC[C@@H](C)[NH2+]Cc1cccc(F)c1 275028 168180021 /nfs/dbraw/zinc/18/00/21/168180021.db2.gz PYDWTJOFYWYNMZ-SECBINFHSA-N 1 0 197.253 1.950 50 0 in-vitro ADAARO COC[C@@H](C)[NH2+]Cc1ccc(F)cc1 4031083 168180037 /nfs/dbraw/zinc/18/00/37/168180037.db2.gz NDIIJKZDNPQYTK-SECBINFHSA-N 1 0 197.253 1.950 50 0 in-vitro ADAARO COC[C@@H](C)[NH2+]Cc1cccs1 19904421 168180121 /nfs/dbraw/zinc/18/01/21/168180121.db2.gz YVJQRABRPCXJCM-MRVPVSSYSA-N 1 0 185.292 1.873 50 0 ADAARO COC[C@@H](C)[NH2+]Cc1ccccc1F 183717 168180455 /nfs/dbraw/zinc/18/04/55/168180455.db2.gz NPLAJHVLMBGXAG-SECBINFHSA-N 1 0 197.253 1.950 50 0 in-vitro ADAARO COC[C@@H](C)[NH2+]Cc1ccc(C)o1 19904439 168180567 /nfs/dbraw/zinc/18/05/67/168180567.db2.gz WTWAOCJVCFAMIP-MRVPVSSYSA-N 1 0 183.251 1.713 50 0 ADAARO COC[C@@H](C)[NH2+]Cc1ccco1 19904431 168181017 /nfs/dbraw/zinc/18/10/17/168181017.db2.gz AJTKKVUSSHJQDK-MRVPVSSYSA-N 1 0 169.224 1.404 50 0 ADAARO COC[C@@H](C)[NH2+]CCc1ccccc1 19904419 168181266 /nfs/dbraw/zinc/18/12/66/168181266.db2.gz XSZUZJICYQLWNU-LLVKDONJSA-N 1 0 193.290 1.854 50 0 ADAARO COC[C@@H](C)[NH2+][C@@H]1CCSC1 4996407 168181442 /nfs/dbraw/zinc/18/14/42/168181442.db2.gz KTZJJEXSRMYNJO-HTQZYQBOSA-N 1 0 175.297 1.116 50 0 ADAARO COC[C@@H](C)[NH2+]C1CCCCC1 19905069 168181575 /nfs/dbraw/zinc/18/15/75/168181575.db2.gz YVOSUDSZWIVHST-SECBINFHSA-N 1 0 171.284 1.944 50 0 ADAARO COC[C@@H](C)[NH2+]Cc1ccccc1 19905049 168181806 /nfs/dbraw/zinc/18/18/06/168181806.db2.gz AEIBOWAZTVMIAU-SNVBAGLBSA-N 1 0 179.263 1.811 50 0 ADAARO COC[C@@H](C)[NH2+]CCc1cccs1 53172279 168181825 /nfs/dbraw/zinc/18/18/25/168181825.db2.gz DEMOLOOPUMQZDS-SECBINFHSA-N 1 0 199.319 1.915 50 0 ADAARO COC[C@@H](C)[NH2+][C@H]1CCSC1 4996411 168181930 /nfs/dbraw/zinc/18/19/30/168181930.db2.gz KTZJJEXSRMYNJO-SFYZADRCSA-N 1 0 175.297 1.116 50 0 ADAARO COC[C@@H]([NH3+])c1cccc(OC)c1 22563590 168182195 /nfs/dbraw/zinc/18/21/95/168182195.db2.gz HNSSQJYZMYXKDY-SNVBAGLBSA-N 1 0 181.235 1.341 50 0 ADAARO COC[C@@H]([NH3+])Cc1ccccc1 403116 168182414 /nfs/dbraw/zinc/18/24/14/168182414.db2.gz FAZIHZPDHJBQKN-JTQLQIEISA-N 1 0 165.236 1.203 50 0 in-vitro ADAARO COC[C@@H]([NH3+])c1ccc(F)cc1 19256630 168182447 /nfs/dbraw/zinc/18/24/47/168182447.db2.gz RJKVATIGJAVHNL-SECBINFHSA-N 1 0 169.199 1.472 50 0 in-vitro ADAARO COC[C@@H]([NH3+])c1ccc(C)o1 72209801 168182838 /nfs/dbraw/zinc/18/28/38/168182838.db2.gz OSJIINVCPQVBEQ-SSDOTTSWSA-N 1 0 155.197 1.234 50 0 in-vitro ADAARO COC[C@@H]([NH3+])c1ccc(Cl)cc1 49672253 168183062 /nfs/dbraw/zinc/18/30/62/168183062.db2.gz WPXVXJBFCKQSST-SECBINFHSA-N 1 0 185.654 1.986 50 0 in-vitro ADAARO COC[C@@H]([NH3+])c1cccc(Cl)c1 44569075 168183746 /nfs/dbraw/zinc/18/37/46/168183746.db2.gz JFLYWANSRJBTLV-SECBINFHSA-N 1 0 185.654 1.986 50 0 in-vitro ADAARO COC[C@@H]([NH3+])C1CCC(C)CC1 82849465 168183791 /nfs/dbraw/zinc/18/37/91/168183791.db2.gz IHPDUYXZIIJVGB-UDNWOFFPSA-N 1 0 171.284 1.786 50 0 in-vitro ADAARO COC[C@@H]([NH3+])c1ccccc1 2386578 168184197 /nfs/dbraw/zinc/18/41/97/168184197.db2.gz CMTDMIYJXVBUDX-SECBINFHSA-N 1 0 151.209 1.333 50 0 in-vitro ADAARO COC[C@@H]([NH3+])c1ccc(F)c(F)c1 23071313 168184208 /nfs/dbraw/zinc/18/42/08/168184208.db2.gz HMXDXOIJHPACRX-SECBINFHSA-N 1 0 187.189 1.611 50 0 in-vitro ADAARO COC[C@@]1(CC(C)C)CCC[NH2+]1 86526500 168184409 /nfs/dbraw/zinc/18/44/09/168184409.db2.gz SBXBRCVSNVCLJU-JTQLQIEISA-N 1 0 171.284 1.801 50 0 in-vitro ADAARO COC[C@@H]1CCCC[NH2+]C1 95829716 168185216 /nfs/dbraw/zinc/18/52/16/168185216.db2.gz LHJDQOHJZCKXRF-MRVPVSSYSA-N 1 0 143.230 1.023 50 0 in-vitro ADAARO COC[C@@](C)([NH3+])c1ccccc1 34479057 168185327 /nfs/dbraw/zinc/18/53/27/168185327.db2.gz PGXVVJWYLRSURM-SNVBAGLBSA-N 1 0 165.236 1.507 50 0 in-vitro ADAARO COC[C@@]1(C2CC2)CCC[NH2+]1 86526477 168185884 /nfs/dbraw/zinc/18/58/84/168185884.db2.gz SHEXISWAZXFOMK-SECBINFHSA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO COC[C@H](C)C1CC[NH2+]CC1 42383894 168187236 /nfs/dbraw/zinc/18/72/36/168187236.db2.gz CLHALIZKGLFJAS-QMMMGPOBSA-N 1 0 157.257 1.269 50 0 ADAARO COC[C@H](C)[NH2+]Cc1cccc(F)c1 275027 168188971 /nfs/dbraw/zinc/18/89/71/168188971.db2.gz PYDWTJOFYWYNMZ-VIFPVBQESA-N 1 0 197.253 1.950 50 0 in-vitro ADAARO COC[C@H](C)[NH2+]Cc1ccc(C)o1 19904441 168188982 /nfs/dbraw/zinc/18/89/82/168188982.db2.gz WTWAOCJVCFAMIP-QMMMGPOBSA-N 1 0 183.251 1.713 50 0 ADAARO COC[C@H](C)[NH2+]C1CCCCC1 19905070 168188987 /nfs/dbraw/zinc/18/89/87/168188987.db2.gz YVOSUDSZWIVHST-VIFPVBQESA-N 1 0 171.284 1.944 50 0 ADAARO COC[C@H]([NH3+])C1CCC(C)CC1 82849466 168189135 /nfs/dbraw/zinc/18/91/35/168189135.db2.gz IHPDUYXZIIJVGB-RTBKNWGFSA-N 1 0 171.284 1.786 50 0 in-vitro ADAARO COC[C@H](C)[NH2+]CCc1ccccc1 19904420 168189252 /nfs/dbraw/zinc/18/92/52/168189252.db2.gz XSZUZJICYQLWNU-NSHDSACASA-N 1 0 193.290 1.854 50 0 ADAARO COC[C@H](C)[NH2+]Cc1ccc(F)cc1 1866212 168189267 /nfs/dbraw/zinc/18/92/67/168189267.db2.gz NDIIJKZDNPQYTK-VIFPVBQESA-N 1 0 197.253 1.950 50 0 in-vitro ADAARO COC[C@H](C)[NH2+]Cc1cccs1 19904422 168189287 /nfs/dbraw/zinc/18/92/87/168189287.db2.gz YVJQRABRPCXJCM-QMMMGPOBSA-N 1 0 185.292 1.873 50 0 ADAARO COC[C@H](C)[NH2+]C1CCCC1 19904386 168189342 /nfs/dbraw/zinc/18/93/42/168189342.db2.gz WDLDIVNHTVCBQY-QMMMGPOBSA-N 1 0 157.257 1.554 50 0 ADAARO COC[C@H](C)[NH2+]CCc1cccs1 53172278 168189414 /nfs/dbraw/zinc/18/94/14/168189414.db2.gz DEMOLOOPUMQZDS-VIFPVBQESA-N 1 0 199.319 1.915 50 0 ADAARO COC[C@H](C)[NH2+][C@@H]1CCSC1 4996406 168189812 /nfs/dbraw/zinc/18/98/12/168189812.db2.gz KTZJJEXSRMYNJO-JGVFFNPUSA-N 1 0 175.297 1.116 50 0 ADAARO COC[C@H](C)[NH2+][C@H]1CCSC1 4996409 168189912 /nfs/dbraw/zinc/18/99/12/168189912.db2.gz KTZJJEXSRMYNJO-YUMQZZPRSA-N 1 0 175.297 1.116 50 0 ADAARO COC[C@H](C)[NH2+]Cc1ccccc1F 183713 168189997 /nfs/dbraw/zinc/18/99/97/168189997.db2.gz NPLAJHVLMBGXAG-VIFPVBQESA-N 1 0 197.253 1.950 50 0 in-vitro ADAARO COC[C@H](C)[NH2+]Cc1ccccc1 19905050 168190053 /nfs/dbraw/zinc/19/00/53/168190053.db2.gz AEIBOWAZTVMIAU-JTQLQIEISA-N 1 0 179.263 1.811 50 0 ADAARO COC[C@H](C)[NH2+]Cc1ccco1 19904432 168190408 /nfs/dbraw/zinc/19/04/08/168190408.db2.gz AJTKKVUSSHJQDK-QMMMGPOBSA-N 1 0 169.224 1.404 50 0 ADAARO COC[C@H]([NH3+])c1ncc(F)cc1F 91302204 168190693 /nfs/dbraw/zinc/19/06/93/168190693.db2.gz GZWODYWDPZNKNW-ZETCQYMHSA-N 1 0 188.177 1.006 50 0 ADAARO COC[C@H]([NH3+])c1cccc(Cl)c1 44569072 168190942 /nfs/dbraw/zinc/19/09/42/168190942.db2.gz JFLYWANSRJBTLV-VIFPVBQESA-N 1 0 185.654 1.986 50 0 in-vitro ADAARO COC[C@H]([NH3+])c1ccc(C)o1 72209802 168191040 /nfs/dbraw/zinc/19/10/40/168191040.db2.gz OSJIINVCPQVBEQ-ZETCQYMHSA-N 1 0 155.197 1.234 50 0 in-vitro ADAARO COC[C@H]([NH3+])c1ccc(F)c(F)c1 23071314 168191326 /nfs/dbraw/zinc/19/13/26/168191326.db2.gz HMXDXOIJHPACRX-VIFPVBQESA-N 1 0 187.189 1.611 50 0 in-vitro ADAARO COC[C@H]([NH3+])c1ccccc1 2386580 168191490 /nfs/dbraw/zinc/19/14/90/168191490.db2.gz CMTDMIYJXVBUDX-VIFPVBQESA-N 1 0 151.209 1.333 50 0 in-vitro ADAARO COC[C@H]([NH3+])Cc1ccccc1 4977290 168191499 /nfs/dbraw/zinc/19/14/99/168191499.db2.gz FAZIHZPDHJBQKN-SNVBAGLBSA-N 1 0 165.236 1.203 50 0 in-vitro ADAARO COC[C@H]([NH3+])c1ccc(Cl)cc1 49672252 168191658 /nfs/dbraw/zinc/19/16/58/168191658.db2.gz WPXVXJBFCKQSST-VIFPVBQESA-N 1 0 185.654 1.986 50 0 in-vitro ADAARO COC[C@H]([NH3+])c1cccc(OC)c1 22563595 168191665 /nfs/dbraw/zinc/19/16/65/168191665.db2.gz HNSSQJYZMYXKDY-JTQLQIEISA-N 1 0 181.235 1.341 50 0 ADAARO COC[C@H]1CCCC[NH2+]C1 95829717 168192040 /nfs/dbraw/zinc/19/20/40/168192040.db2.gz LHJDQOHJZCKXRF-QMMMGPOBSA-N 1 0 143.230 1.023 50 0 in-vitro ADAARO COC[C@H]([NH3+])c1ccc(F)cc1 19256632 168192053 /nfs/dbraw/zinc/19/20/53/168192053.db2.gz RJKVATIGJAVHNL-VIFPVBQESA-N 1 0 169.199 1.472 50 0 in-vitro ADAARO COC[C@](C)([NH3+])c1ccccc1 53173479 168192576 /nfs/dbraw/zinc/19/25/76/168192576.db2.gz PGXVVJWYLRSURM-JTQLQIEISA-N 1 0 165.236 1.507 50 0 in-vitro ADAARO COC[C@]1(CC(C)C)CCC[NH2+]1 86526501 168192937 /nfs/dbraw/zinc/19/29/37/168192937.db2.gz SBXBRCVSNVCLJU-SNVBAGLBSA-N 1 0 171.284 1.801 50 0 in-vitro ADAARO COCc1cc(C[NH3+])ccc1F 19278593 168193640 /nfs/dbraw/zinc/19/36/40/168193640.db2.gz PCQZCUNMYIQSRJ-UHFFFAOYSA-N 1 0 169.199 1.431 50 0 in-vitro ADAARO COC[C@]1(C2CC2)CCC[NH2+]1 86526476 168193681 /nfs/dbraw/zinc/19/36/81/168193681.db2.gz SHEXISWAZXFOMK-VIFPVBQESA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO COCc1ccc([C@H]2CCC[NH2+]2)o1 95829714 168194086 /nfs/dbraw/zinc/19/40/86/168194086.db2.gz XOLJHWDJSWBMSK-SECBINFHSA-N 1 0 181.235 1.851 50 0 in-vitro ADAARO COCc1ccc(C[NH3+])cc1F 19282603 168194618 /nfs/dbraw/zinc/19/46/18/168194618.db2.gz CREAXYHHOZYRBN-UHFFFAOYSA-N 1 0 169.199 1.431 50 0 in-vitro ADAARO COCc1ccc([C@@H]2CCC[NH2+]2)o1 95829713 168195024 /nfs/dbraw/zinc/19/50/24/168195024.db2.gz XOLJHWDJSWBMSK-VIFPVBQESA-N 1 0 181.235 1.851 50 0 in-vitro ADAARO COCc1ccc(C[NH3+])cc1 20283217 168195096 /nfs/dbraw/zinc/19/50/96/168195096.db2.gz YODLUZCGKXCOGJ-UHFFFAOYSA-N 1 0 151.209 1.292 50 0 in-vitro ADAARO COCc1csc(C[NH3+])c1 20439197 168195112 /nfs/dbraw/zinc/19/51/12/168195112.db2.gz NURDYBWXGCIIBN-UHFFFAOYSA-N 1 0 157.238 1.353 50 0 ADAARO COCc1ccccc1C[NH3+] 20282479 168195429 /nfs/dbraw/zinc/19/54/29/168195429.db2.gz NHRIWUULBXVLFS-UHFFFAOYSA-N 1 0 151.209 1.292 50 0 in-vitro ADAARO COCc1cccc(C[NH3+])c1 22209817 168195496 /nfs/dbraw/zinc/19/54/96/168195496.db2.gz SASCLRJDYCGASV-UHFFFAOYSA-N 1 0 151.209 1.292 50 0 in-vitro ADAARO COCc1nc(C)c(C[NH3+])s1 19092342 168197371 /nfs/dbraw/zinc/19/73/71/168197371.db2.gz ODSQVRPSJWBKRQ-UHFFFAOYSA-N 1 0 172.253 1.057 50 0 ADAARO COCc1noc([C@H]2CCCCN2)n1 45893118 168197990 /nfs/dbraw/zinc/19/79/90/168197990.db2.gz FPJTUGAXUNGAOZ-SSDOTTSWSA-N 1 0 197.238 1.031 50 0 ADAARO CON1[C@@H]2CCCC[C@@H]2N[N+]1=O 4729676 168200769 /nfs/dbraw/zinc/20/07/69/168200769.db2.gz PFUCCCBSNASWTB-NKWVEPMBSA-N 1 0 171.200 1.052 50 0 ADAARO CO[C@@H](C)c1nc(C[NH3+])cs1 72312771 168203674 /nfs/dbraw/zinc/20/36/74/168203674.db2.gz YWIOENAJTAERNM-YFKPBYRVSA-N 1 0 172.253 1.309 50 0 in-vitro ADAARO CO[C@@H](C[NH3+])Cc1ccccc1 14628664 168203977 /nfs/dbraw/zinc/20/39/77/168203977.db2.gz DIOGSRGTNMACOE-SNVBAGLBSA-N 1 0 165.236 1.203 50 0 in-vitro ADAARO CO[C@@H](c1ccccc1F)[C@H](C)[NH3+] 43046594 168203986 /nfs/dbraw/zinc/20/39/86/168203986.db2.gz VQAPSOXMBFRWFS-OIBJUYFYSA-N 1 0 183.226 1.860 50 0 in-vitro ADAARO CO[C@@H](C[NH3+])c1ccccc1F 20442682 168204002 /nfs/dbraw/zinc/20/40/02/168204002.db2.gz FLLYRMQQVCUSOU-VIFPVBQESA-N 1 0 169.199 1.472 50 0 ADAARO CO[C@@H](C[NH3+])c1ccccc1Cl 32192185 168204050 /nfs/dbraw/zinc/20/40/50/168204050.db2.gz NJGUSHCDBDFDQN-VIFPVBQESA-N 1 0 185.654 1.986 50 0 in-vitro ADAARO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] 33829101 168204060 /nfs/dbraw/zinc/20/40/60/168204060.db2.gz RRQYHMOOYYTCQG-OIBJUYFYSA-N 1 0 183.226 1.860 50 0 in-vitro ADAARO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] 33829103 168204062 /nfs/dbraw/zinc/20/40/62/168204062.db2.gz RRQYHMOOYYTCQG-GMSGAONNSA-N 1 0 183.226 1.860 50 0 in-vitro ADAARO CO[C@@H](C[NH3+])c1ccc(C)cc1 42906852 168204199 /nfs/dbraw/zinc/20/41/99/168204199.db2.gz VYRLBCVGFYOLIH-JTQLQIEISA-N 1 0 165.236 1.641 50 0 ADAARO CO[C@@H](C[NH3+])C(C)(C)C 43295195 168204213 /nfs/dbraw/zinc/20/42/13/168204213.db2.gz PXFYXXAOUOLMSQ-LURJTMIESA-N 1 0 131.219 1.006 50 0 in-vitro ADAARO CO[C@@H](C[NH3+])c1ccccc1 1602785 168204348 /nfs/dbraw/zinc/20/43/48/168204348.db2.gz SPEHWYVPDGLETG-VIFPVBQESA-N 1 0 151.209 1.333 50 0 in-vitro ADAARO CO[C@@H](C[NH3+])c1ccsc1 43124324 168204498 /nfs/dbraw/zinc/20/44/98/168204498.db2.gz FEWXSTPBQUIIGS-ZETCQYMHSA-N 1 0 157.238 1.394 50 0 ADAARO CO[C@@H](C[NH3+])c1ccccc1C 43038188 168204523 /nfs/dbraw/zinc/20/45/23/168204523.db2.gz UVYUPSLNKTZNDR-JTQLQIEISA-N 1 0 165.236 1.641 50 0 ADAARO CO[C@@H](C[NH3+])c1cccs1 15635424 168204619 /nfs/dbraw/zinc/20/46/19/168204619.db2.gz FLXIOVQXMOFJRX-LURJTMIESA-N 1 0 157.238 1.394 50 0 in-vitro ADAARO CO[C@@H](C[NH3+])c1cccc(Cl)c1 43017104 168204641 /nfs/dbraw/zinc/20/46/41/168204641.db2.gz YVSADVPARVXBLE-VIFPVBQESA-N 1 0 185.654 1.986 50 0 in-vitro ADAARO CO[C@@H](C[NH3+])c1ccc(F)cc1 20442699 168204679 /nfs/dbraw/zinc/20/46/79/168204679.db2.gz SFKDCTXABIKPCO-VIFPVBQESA-N 1 0 169.199 1.472 50 0 in-vitro ADAARO CO[C@@H](C[NH3+])c1ccc(Cl)cc1 42947866 168204956 /nfs/dbraw/zinc/20/49/56/168204956.db2.gz UBRQWTFQGAAMGA-VIFPVBQESA-N 1 0 185.654 1.986 50 0 in-vitro ADAARO CO[C@@H](C[NH3+])c1cccc(F)c1 20442691 168205057 /nfs/dbraw/zinc/20/50/57/168205057.db2.gz LOHNIUNUHHPPHX-VIFPVBQESA-N 1 0 169.199 1.472 50 0 ADAARO CO[C@@H](c1ccccc1F)[C@@H](C)[NH3+] 43046597 168205068 /nfs/dbraw/zinc/20/50/68/168205068.db2.gz VQAPSOXMBFRWFS-GMSGAONNSA-N 1 0 183.226 1.860 50 0 in-vitro ADAARO CO[C@@H]1CCCCC[C@H]1[NH3+] 23069256 168205406 /nfs/dbraw/zinc/20/54/06/168205406.db2.gz VAPWMUWLKYOLFO-HTQZYQBOSA-N 1 0 143.230 1.293 50 0 in-vitro ADAARO CO[C@@H]1CCCCC[C@@H]1[NH3+] 23069253 168206309 /nfs/dbraw/zinc/20/63/09/168206309.db2.gz VAPWMUWLKYOLFO-JGVFFNPUSA-N 1 0 143.230 1.293 50 0 in-vitro ADAARO CO[C@@H]1CC[NH2+]CC1(C)C 146370163 168208125 /nfs/dbraw/zinc/20/81/25/168208125.db2.gz AIPZCOSIRHBIBO-SSDOTTSWSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO CO[C@@H]1Cc2ccccc2[C@H]1[NH3+] 19257269 168210324 /nfs/dbraw/zinc/21/03/24/168210324.db2.gz IGDBSYLULISNJI-NXEZZACHSA-N 1 0 163.220 1.258 50 0 ADAARO CO[C@@H]1C[NH2+]Cc2ccccc21 39089530 168210667 /nfs/dbraw/zinc/21/06/67/168210667.db2.gz CRCYPJVUNDSCBR-SNVBAGLBSA-N 1 0 163.220 1.477 50 0 ADAARO CO[C@@H]1[C@H](C)[C@@H]([NH3+])C12CCC2 95347623 168211081 /nfs/dbraw/zinc/21/10/81/168211081.db2.gz FAQSANUTKVRYOS-BWZBUEFSSA-N 1 0 155.241 1.149 50 0 in-vitro ADAARO CO[C@@]1(C)C[C@@H]([NH3+])C1(C)C 71790884 168211488 /nfs/dbraw/zinc/21/14/88/168211488.db2.gz ZJYFCPQNVXGOFY-SVRRBLITSA-N 1 0 143.230 1.149 50 0 in-vitro ADAARO CO[C@@](C)(C1CC1)[C@H](C)[NH3+] 306267897 168211502 /nfs/dbraw/zinc/21/15/02/168211502.db2.gz IIUJSXZLSKHLCT-POYBYMJQSA-N 1 0 143.230 1.149 50 0 ADAARO CO[C@@](C)(C[NH3+])c1ccccc1 62711536 168211561 /nfs/dbraw/zinc/21/15/61/168211561.db2.gz QQTDPACYVQKADZ-JTQLQIEISA-N 1 0 165.236 1.507 50 0 in-vitro ADAARO CO[C@@]1(C(F)(F)F)CCC[NH2+]C1 71373330 168211896 /nfs/dbraw/zinc/21/18/96/168211896.db2.gz LGGDFUKWSHPKQJ-LURJTMIESA-N 1 0 183.173 1.317 50 0 ADAARO CO[C@@]1(C)C[C@H]([NH3+])C1(C)C 71790885 168212088 /nfs/dbraw/zinc/21/20/88/168212088.db2.gz ZJYFCPQNVXGOFY-XPUUQOCRSA-N 1 0 143.230 1.149 50 0 in-vitro ADAARO CO[C@@](C)(C1CC1)[C@@H](C)[NH3+] 306267896 168212694 /nfs/dbraw/zinc/21/26/94/168212694.db2.gz IIUJSXZLSKHLCT-HTRCEHHLSA-N 1 0 143.230 1.149 50 0 ADAARO CO[C@@]1(C)CCC[NH2+]CC1 170618739 168212870 /nfs/dbraw/zinc/21/28/70/168212870.db2.gz FLGNNKXCOLVKCJ-QMMMGPOBSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO CO[C@H](C)C[NH2+]C(C)C 52602188 168213269 /nfs/dbraw/zinc/21/32/69/168213269.db2.gz QGJWIEAVYWXIQC-SSDOTTSWSA-N 1 0 131.219 1.019 50 0 in-vitro ADAARO CO[C@H](C[NH3+])c1ccsc1 43124325 168213444 /nfs/dbraw/zinc/21/34/44/168213444.db2.gz FEWXSTPBQUIIGS-SSDOTTSWSA-N 1 0 157.238 1.394 50 0 ADAARO CO[C@H](C)c1nc(C[NH3+])cs1 72312772 168213632 /nfs/dbraw/zinc/21/36/32/168213632.db2.gz YWIOENAJTAERNM-RXMQYKEDSA-N 1 0 172.253 1.309 50 0 in-vitro ADAARO CO[C@H](C[NH3+])c1ccc(Cl)cc1 42947869 168213654 /nfs/dbraw/zinc/21/36/54/168213654.db2.gz UBRQWTFQGAAMGA-SECBINFHSA-N 1 0 185.654 1.986 50 0 in-vitro ADAARO CO[C@H](C[NH3+])c1ccccc1F 20442686 168213713 /nfs/dbraw/zinc/21/37/13/168213713.db2.gz FLLYRMQQVCUSOU-SECBINFHSA-N 1 0 169.199 1.472 50 0 ADAARO CO[C@H](C)CC1CC[NH2+]CC1 47218845 168213815 /nfs/dbraw/zinc/21/38/15/168213815.db2.gz IIFFPLLEOPKZSX-MRVPVSSYSA-N 1 0 157.257 1.411 50 0 ADAARO CO[C@H](C[NH3+])c1ccccc1Cl 32192186 168213990 /nfs/dbraw/zinc/21/39/90/168213990.db2.gz NJGUSHCDBDFDQN-SECBINFHSA-N 1 0 185.654 1.986 50 0 in-vitro ADAARO CO[C@H](C[NH3+])c1cccc(Cl)c1 43017106 168214091 /nfs/dbraw/zinc/21/40/91/168214091.db2.gz YVSADVPARVXBLE-SECBINFHSA-N 1 0 185.654 1.986 50 0 in-vitro ADAARO CO[C@H](C[NH3+])c1ccc(F)cc1 20442704 168214137 /nfs/dbraw/zinc/21/41/37/168214137.db2.gz SFKDCTXABIKPCO-SECBINFHSA-N 1 0 169.199 1.472 50 0 in-vitro ADAARO CO[C@H](C[NH3+])c1ccccc1 6483260 168214182 /nfs/dbraw/zinc/21/41/82/168214182.db2.gz SPEHWYVPDGLETG-SECBINFHSA-N 1 0 151.209 1.333 50 0 in-vitro ADAARO CO[C@H](C[NH3+])c1cccc(F)c1 20442695 168214187 /nfs/dbraw/zinc/21/41/87/168214187.db2.gz LOHNIUNUHHPPHX-SECBINFHSA-N 1 0 169.199 1.472 50 0 ADAARO CO[C@H](C[NH3+])c1cccs1 15635426 168214232 /nfs/dbraw/zinc/21/42/32/168214232.db2.gz FLXIOVQXMOFJRX-ZCFIWIBFSA-N 1 0 157.238 1.394 50 0 in-vitro ADAARO CO[C@H](C[NH3+])C(C)(C)C 43295193 168214321 /nfs/dbraw/zinc/21/43/21/168214321.db2.gz PXFYXXAOUOLMSQ-ZCFIWIBFSA-N 1 0 131.219 1.006 50 0 in-vitro ADAARO CO[C@H](C[NH3+])c1ccc(C)cc1 42906849 168214340 /nfs/dbraw/zinc/21/43/40/168214340.db2.gz VYRLBCVGFYOLIH-SNVBAGLBSA-N 1 0 165.236 1.641 50 0 ADAARO CO[C@H](C[NH3+])Cc1ccccc1 14628666 168214377 /nfs/dbraw/zinc/21/43/77/168214377.db2.gz DIOGSRGTNMACOE-JTQLQIEISA-N 1 0 165.236 1.203 50 0 in-vitro ADAARO CO[C@H](C[NH3+])c1ccccc1C 43038186 168214464 /nfs/dbraw/zinc/21/44/64/168214464.db2.gz UVYUPSLNKTZNDR-SNVBAGLBSA-N 1 0 165.236 1.641 50 0 ADAARO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] 33829100 168214916 /nfs/dbraw/zinc/21/49/16/168214916.db2.gz RRQYHMOOYYTCQG-XCBNKYQSSA-N 1 0 183.226 1.860 50 0 in-vitro ADAARO CO[C@H](c1ccccc1F)[C@H](C)[NH3+] 43046588 168214947 /nfs/dbraw/zinc/21/49/47/168214947.db2.gz VQAPSOXMBFRWFS-XVKPBYJWSA-N 1 0 183.226 1.860 50 0 in-vitro ADAARO CO[C@H]1CCCCC[C@H]1[NH3+] 23069257 168214995 /nfs/dbraw/zinc/21/49/95/168214995.db2.gz VAPWMUWLKYOLFO-SFYZADRCSA-N 1 0 143.230 1.293 50 0 in-vitro ADAARO CO[C@H](c1ccccc1F)[C@@H](C)[NH3+] 43046591 168215031 /nfs/dbraw/zinc/21/50/31/168215031.db2.gz VQAPSOXMBFRWFS-XCBNKYQSSA-N 1 0 183.226 1.860 50 0 in-vitro ADAARO CO[C@H]1CCCCC[C@@H]1[NH3+] 23069254 168215331 /nfs/dbraw/zinc/21/53/31/168215331.db2.gz VAPWMUWLKYOLFO-YUMQZZPRSA-N 1 0 143.230 1.293 50 0 in-vitro ADAARO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH3+] 33829099 168215615 /nfs/dbraw/zinc/21/56/15/168215615.db2.gz RRQYHMOOYYTCQG-XVKPBYJWSA-N 1 0 183.226 1.860 50 0 in-vitro ADAARO CO[C@H]1CC[NH2+]CC1(C)C 146369975 168217899 /nfs/dbraw/zinc/21/78/99/168217899.db2.gz AIPZCOSIRHBIBO-ZETCQYMHSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO CO[C@H]1C[NH2+]Cc2ccccc21 39089531 168219115 /nfs/dbraw/zinc/21/91/15/168219115.db2.gz CRCYPJVUNDSCBR-JTQLQIEISA-N 1 0 163.220 1.477 50 0 ADAARO CO[C@H]1C[C@H](C)N=C(SC)N1C 500786 168220157 /nfs/dbraw/zinc/22/01/57/168220157.db2.gz ZPVLYCOIFHJJRZ-BQBZGAKWSA-N 1 0 188.296 1.402 50 0 ADAARO CO[C@](C)(C1CC1)[C@@H](C)[NH3+] 306267898 168221603 /nfs/dbraw/zinc/22/16/03/168221603.db2.gz IIUJSXZLSKHLCT-SVRRBLITSA-N 1 0 143.230 1.149 50 0 ADAARO CO[C@](C)(C1CC1)[C@H](C)[NH3+] 306267899 168221693 /nfs/dbraw/zinc/22/16/93/168221693.db2.gz IIUJSXZLSKHLCT-XPUUQOCRSA-N 1 0 143.230 1.149 50 0 ADAARO CO[C@H]1c2ccccc2C[C@@H]1[NH3+] 32628363 168221747 /nfs/dbraw/zinc/22/17/47/168221747.db2.gz DMICMWRZNBCKBU-UWVGGRQHSA-N 1 0 163.220 1.258 50 0 ADAARO CO[C@]1(C(F)(F)F)CCC[NH2+]C1 71373329 168222028 /nfs/dbraw/zinc/22/20/28/168222028.db2.gz LGGDFUKWSHPKQJ-ZCFIWIBFSA-N 1 0 183.173 1.317 50 0 ADAARO CO[C@]1(C)C[C@@H]([NH3+])C1(C)C 71790882 168222167 /nfs/dbraw/zinc/22/21/67/168222167.db2.gz ZJYFCPQNVXGOFY-HTRCEHHLSA-N 1 0 143.230 1.149 50 0 in-vitro ADAARO CO[C@](C)(C[NH3+])c1ccccc1 62711534 168222203 /nfs/dbraw/zinc/22/22/03/168222203.db2.gz QQTDPACYVQKADZ-SNVBAGLBSA-N 1 0 165.236 1.507 50 0 in-vitro ADAARO CO[C@H]1c2ccccc2C[C@H]1[NH3+] 32628367 168222234 /nfs/dbraw/zinc/22/22/34/168222234.db2.gz DMICMWRZNBCKBU-ZJUUUORDSA-N 1 0 163.220 1.258 50 0 ADAARO CO[C@]1(C)CCC[NH2+]CC1 170618741 168222322 /nfs/dbraw/zinc/22/23/22/168222322.db2.gz FLGNNKXCOLVKCJ-MRVPVSSYSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO CO[C@]1(C)C[C@H]([NH3+])C1(C)C 71790883 168222336 /nfs/dbraw/zinc/22/23/36/168222336.db2.gz ZJYFCPQNVXGOFY-POYBYMJQSA-N 1 0 143.230 1.149 50 0 in-vitro ADAARO COc1c(C)c[nH+]c(CCCO)c1C 60701437 168223232 /nfs/dbraw/zinc/22/32/32/168223232.db2.gz UVRAVNSREMMFJN-UHFFFAOYSA-N 1 0 195.262 1.632 50 0 in-vitro ADAARO COc1c(C)cnc(C[NH+](C)C)c1C 12481433 168223316 /nfs/dbraw/zinc/22/33/16/168223316.db2.gz YWLJNUAYBRWEJY-UHFFFAOYSA-N 1 0 194.278 1.769 50 0 in-vitro ADAARO COc1c(C)cc(C[NH3+])cc1C 20470782 168223683 /nfs/dbraw/zinc/22/36/83/168223683.db2.gz JFHQAGJWKQGNGQ-UHFFFAOYSA-N 1 0 165.236 1.771 50 0 ADAARO COc1c(C)cnc(C[NH3+])c1C 19093191 168223792 /nfs/dbraw/zinc/22/37/92/168223792.db2.gz CNPVFVHYBKQINB-UHFFFAOYSA-N 1 0 166.224 1.166 50 0 in-vitro ADAARO COc1c(C)cccc1C[NH3+] 82631793 168224442 /nfs/dbraw/zinc/22/44/42/168224442.db2.gz KUEZWFCAMNEDNK-UHFFFAOYSA-N 1 0 151.209 1.462 50 0 in-vitro ADAARO COc1c(F)cccc1[C@@H](C)[NH3+] 75067638 168224626 /nfs/dbraw/zinc/22/46/26/168224626.db2.gz XKDDLSQQLGMSCP-ZCFIWIBFSA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1c(F)cccc1[C@H]1CC[NH2+]C1 82895981 168224748 /nfs/dbraw/zinc/22/47/48/168224748.db2.gz NQEMSDFISPCARP-QMMMGPOBSA-N 1 0 195.237 1.911 50 0 ADAARO COc1c(F)c(F)cc(C[NH3+])c1F 2513000 168224816 /nfs/dbraw/zinc/22/48/16/168224816.db2.gz NMWHMSTUIZHCDK-UHFFFAOYSA-N 1 0 191.152 1.571 50 0 in-vitro ADAARO COc1c(F)cccc1C[NH3+] 38529732 168224830 /nfs/dbraw/zinc/22/48/30/168224830.db2.gz FVGJLRXKGHPGOW-UHFFFAOYSA-N 1 0 155.172 1.293 50 0 ADAARO COc1c(F)ccc(F)c1C[NH3+] 75915295 168224835 /nfs/dbraw/zinc/22/48/35/168224835.db2.gz KIHYOHKLDCYYFQ-UHFFFAOYSA-N 1 0 173.162 1.432 50 0 ADAARO COc1c(F)cccc1[C@@H]1CC[NH2+]C1 82895980 168225229 /nfs/dbraw/zinc/22/52/29/168225229.db2.gz NQEMSDFISPCARP-MRVPVSSYSA-N 1 0 195.237 1.911 50 0 ADAARO COc1c(Cl)ccc(C[NH3+])c1F 91252315 168225298 /nfs/dbraw/zinc/22/52/98/168225298.db2.gz OIGDUJMZHJQGMX-UHFFFAOYSA-N 1 0 189.617 1.946 50 0 in-vitro ADAARO COc1c(F)cc(C[NH3+])cc1Cl 38530060 168225318 /nfs/dbraw/zinc/22/53/18/168225318.db2.gz SNAZGTVOOKATFQ-UHFFFAOYSA-N 1 0 189.617 1.946 50 0 ADAARO COc1c(F)cccc1[C@H](C)[NH3+] 75067637 168225552 /nfs/dbraw/zinc/22/55/52/168225552.db2.gz XKDDLSQQLGMSCP-LURJTMIESA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1c(F)cc(F)cc1C[NH3+] 12359231 168225623 /nfs/dbraw/zinc/22/56/23/168225623.db2.gz PHBIWWNJQFWDJK-UHFFFAOYSA-N 1 0 173.162 1.432 50 0 ADAARO COc1c(F)ccc(C[NH3+])c1F 2527858 168225669 /nfs/dbraw/zinc/22/56/69/168225669.db2.gz AAZMLHVLBRWOGC-UHFFFAOYSA-N 1 0 173.162 1.432 50 0 ADAARO COc1c(Cl)cccc1C[NH3+] 82867603 168225759 /nfs/dbraw/zinc/22/57/59/168225759.db2.gz GOKUYYRVEVIVSL-UHFFFAOYSA-N 1 0 171.627 1.807 50 0 ADAARO COc1c(F)cc(C[NH3+])cc1F 2527838 168225895 /nfs/dbraw/zinc/22/58/95/168225895.db2.gz MCQREBXBVNPGJZ-UHFFFAOYSA-N 1 0 173.162 1.432 50 0 ADAARO COc1c(F)ccc(CC[NH3+])c1F 44397994 168225936 /nfs/dbraw/zinc/22/59/36/168225936.db2.gz OCUDVBBBWJLGNR-UHFFFAOYSA-N 1 0 187.189 1.475 50 0 ADAARO COc1cc(C)c(CC[NH3+])cc1OC 44398047 168228599 /nfs/dbraw/zinc/22/85/99/168228599.db2.gz ZSMOEKWZGBXRLG-UHFFFAOYSA-N 1 0 195.262 1.513 50 0 in-vitro ADAARO COc1cc(C)cc(C[NH3+])c1 38534263 168230554 /nfs/dbraw/zinc/23/05/54/168230554.db2.gz JFONZQGFYUJIFI-UHFFFAOYSA-N 1 0 151.209 1.462 50 0 in-vitro ADAARO COc1cc(C)cc2c1OCC[C@H]2[NH3+] 36928574 168230665 /nfs/dbraw/zinc/23/06/65/168230665.db2.gz XCLYQNGEHKOQKA-SECBINFHSA-N 1 0 193.246 1.786 50 0 in-vitro ADAARO COc1cc(C)cc2c1OCC[C@@H]2[NH3+] 36928573 168230831 /nfs/dbraw/zinc/23/08/31/168230831.db2.gz XCLYQNGEHKOQKA-VIFPVBQESA-N 1 0 193.246 1.786 50 0 in-vitro ADAARO COc1cc(C)cc(CC[NH3+])c1 44373811 168230902 /nfs/dbraw/zinc/23/09/02/168230902.db2.gz LPBBXRQKTVUZIC-UHFFFAOYSA-N 1 0 165.236 1.505 50 0 ADAARO COc1cc(C)ccc1OC1C[NH2+]C1 42770009 168232285 /nfs/dbraw/zinc/23/22/85/168232285.db2.gz BIRPABCEZXLRHY-UHFFFAOYSA-N 1 0 193.246 1.354 50 0 ADAARO COc1cc(C2([NH3+])CC2)ccn1 75085257 168232305 /nfs/dbraw/zinc/23/23/05/168232305.db2.gz MSLFJTYXBSUGCV-UHFFFAOYSA-N 1 0 164.208 1.038 50 0 ADAARO COc1cc(C)ccc1C[NH3+] 51580338 168232549 /nfs/dbraw/zinc/23/25/49/168232549.db2.gz ZQXRUDOQCLDNBX-UHFFFAOYSA-N 1 0 151.209 1.462 50 0 in-vitro ADAARO COc1cc(C)ccc1OCC[NH3+] 13483687 168232852 /nfs/dbraw/zinc/23/28/52/168232852.db2.gz FHTUZUDWNUDJGA-UHFFFAOYSA-N 1 0 181.235 1.341 50 0 ADAARO COc1cc(C[C@H](C)[NH3+])ccc1O 3644762 168233370 /nfs/dbraw/zinc/23/33/70/168233370.db2.gz GPBOYXOSSQEJBH-ZETCQYMHSA-N 1 0 181.235 1.291 50 0 world ADAARO COc1cc(C[NH+](C)C)ccc1O 34826739 168233395 /nfs/dbraw/zinc/23/33/95/168233395.db2.gz CSCUIKCCBTYIMH-UHFFFAOYSA-N 1 0 181.235 1.462 50 0 in-vitro ADAARO COc1cc(Cl)cc(C(N)=[NH2+])c1 40448124 168233487 /nfs/dbraw/zinc/23/34/87/168233487.db2.gz HJTJTIUZFOIMJZ-UHFFFAOYSA-N 1 0 184.626 1.633 50 0 ADAARO COc1cc(CC[NH3+])ccc1C 39370232 168233729 /nfs/dbraw/zinc/23/37/29/168233729.db2.gz PXSYKFKOKXYQRH-UHFFFAOYSA-N 1 0 165.236 1.505 50 0 in-vitro ADAARO COc1cc(C[NH3+])ccc1OC(C)C 4227542 168233744 /nfs/dbraw/zinc/23/37/44/168233744.db2.gz CGTRKTVKUQGORA-UHFFFAOYSA-N 1 0 195.262 1.941 50 0 in-vitro ADAARO COc1cc(CC[NH3+])c(OC)cc1C 3614028 168233796 /nfs/dbraw/zinc/23/37/96/168233796.db2.gz UNQQFDCVEMVQHM-UHFFFAOYSA-N 1 0 195.262 1.513 50 0 in-vitro ADAARO COc1cc(CC[NH3+])cc(OC)c1 5019775 168233838 /nfs/dbraw/zinc/23/38/38/168233838.db2.gz ZHSFEDDRTVLPHH-UHFFFAOYSA-N 1 0 181.235 1.205 50 0 ADAARO COc1cc(C[C@@H](C)[NH3+])ccc1O 1692966 168233914 /nfs/dbraw/zinc/23/39/14/168233914.db2.gz GPBOYXOSSQEJBH-SSDOTTSWSA-N 1 0 181.235 1.291 50 0 world ADAARO COc1cc(C[NH3+])ccc1F 2528607 168233952 /nfs/dbraw/zinc/23/39/52/168233952.db2.gz CBODMDXBVNUXJY-UHFFFAOYSA-N 1 0 155.172 1.293 50 0 in-vitro ADAARO COc1cc(C[NH3+])cc(OC)c1OC 389604 168233984 /nfs/dbraw/zinc/23/39/84/168233984.db2.gz YUPUSBMJCFBHAP-UHFFFAOYSA-N 1 0 197.234 1.171 50 0 in-vitro ADAARO COc1cc(Cl)cc(C[NH3+])c1 40447859 168234080 /nfs/dbraw/zinc/23/40/80/168234080.db2.gz DFKRFBZTBYCPLG-UHFFFAOYSA-N 1 0 171.627 1.807 50 0 ADAARO COc1cc(C[NH3+])ccc1Cl 34580668 168234091 /nfs/dbraw/zinc/23/40/91/168234091.db2.gz PJXDPMLLVPKDEU-UHFFFAOYSA-N 1 0 171.627 1.807 50 0 in-vitro ADAARO COc1cc(C[NH2+]C2CC2)ccc1O 21969349 168234115 /nfs/dbraw/zinc/23/41/15/168234115.db2.gz UTUZHFORZIYQQF-UHFFFAOYSA-N 1 0 193.246 1.653 50 0 in-vitro ADAARO COc1cc(CC[NH3+])ccc1Cl 38523485 168234163 /nfs/dbraw/zinc/23/41/63/168234163.db2.gz WXOYNGLGBUBNFN-UHFFFAOYSA-N 1 0 185.654 1.850 50 0 in-vitro ADAARO COc1cc(C[NH3+])ccc1C 19415428 168234191 /nfs/dbraw/zinc/23/41/91/168234191.db2.gz IGAKDRWFTAVNCF-UHFFFAOYSA-N 1 0 151.209 1.462 50 0 in-vitro ADAARO COc1cc(C[NH3+])cc(OC)c1 389606 168234232 /nfs/dbraw/zinc/23/42/32/168234232.db2.gz YGZJTYCCONJJGZ-UHFFFAOYSA-N 1 0 167.208 1.163 50 0 in-vitro ADAARO COc1cc(Cl)ccc1C[NH3+] 49839075 168234316 /nfs/dbraw/zinc/23/43/16/168234316.db2.gz NHFLCGVYVOSCAV-UHFFFAOYSA-N 1 0 171.627 1.807 50 0 in-vitro ADAARO COc1cc(C[NH3+])c2ccccc2n1 51523631 168234351 /nfs/dbraw/zinc/23/43/51/168234351.db2.gz VZLFOYPOCKNHBD-UHFFFAOYSA-N 1 0 188.230 1.702 50 0 in-vitro ADAARO COc1cc(CC[C@@H](C)[NH3+])ccc1O 83538 168234359 /nfs/dbraw/zinc/23/43/59/168234359.db2.gz ONNSYMOPMFOHHE-MRVPVSSYSA-N 1 0 195.262 1.681 50 0 ADAARO COc1cc(C[C@@H](C)[NH3+])cc(OC)c1 1637811 168234538 /nfs/dbraw/zinc/23/45/38/168234538.db2.gz PDCLPGSYMZLLDX-MRVPVSSYSA-N 1 0 195.262 1.594 50 0 in-vitro ADAARO COc1cc(C[C@H](C)[NH3+])cc(OC)c1 3593511 168234566 /nfs/dbraw/zinc/23/45/66/168234566.db2.gz PDCLPGSYMZLLDX-QMMMGPOBSA-N 1 0 195.262 1.594 50 0 in-vitro ADAARO COc1cc(CC[C@H](C)[NH3+])ccc1O 83535 168234590 /nfs/dbraw/zinc/23/45/90/168234590.db2.gz ONNSYMOPMFOHHE-QMMMGPOBSA-N 1 0 195.262 1.681 50 0 ADAARO COc1cc(F)ccc1C[NH3+] 2528606 168234928 /nfs/dbraw/zinc/23/49/28/168234928.db2.gz OUYQGZMPYJPPER-UHFFFAOYSA-N 1 0 155.172 1.293 50 0 in-vitro ADAARO COc1cc(F)cc(C[NH3+])c1 2528620 168235052 /nfs/dbraw/zinc/23/50/52/168235052.db2.gz TUXDABFLRWGPSS-UHFFFAOYSA-N 1 0 155.172 1.293 50 0 in-vitro ADAARO COc1cc(F)ccc1[C@H](C)[NH3+] 21949709 168235125 /nfs/dbraw/zinc/23/51/25/168235125.db2.gz ZZIXVAMBEACSOF-LURJTMIESA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1cc(F)c(C[NH3+])cc1OC 39090170 168235144 /nfs/dbraw/zinc/23/51/44/168235144.db2.gz UGJBQIFOIYLMLV-UHFFFAOYSA-N 1 0 185.198 1.302 50 0 ADAARO COc1cc(F)c([C@H](C)[NH3+])cc1OC 21949344 168235178 /nfs/dbraw/zinc/23/51/78/168235178.db2.gz XXTAHPCJRMPZFE-LURJTMIESA-N 1 0 199.225 1.863 50 0 in-vitro ADAARO COc1cc(F)c([C@@H](C)[NH3+])cc1OC 21949342 168235239 /nfs/dbraw/zinc/23/52/39/168235239.db2.gz XXTAHPCJRMPZFE-ZCFIWIBFSA-N 1 0 199.225 1.863 50 0 in-vitro ADAARO COc1cc(F)c(C[NH3+])c(F)c1 2527847 168235369 /nfs/dbraw/zinc/23/53/69/168235369.db2.gz ALINWWVXTNYKIM-UHFFFAOYSA-N 1 0 173.162 1.432 50 0 ADAARO COc1cc(F)c(F)cc1C[NH3+] 12359197 168235628 /nfs/dbraw/zinc/23/56/28/168235628.db2.gz LZSNRJCSFRPZSW-UHFFFAOYSA-N 1 0 173.162 1.432 50 0 ADAARO COc1cc(F)ccc1[C@@H](C)[NH3+] 21949707 168236284 /nfs/dbraw/zinc/23/62/84/168236284.db2.gz ZZIXVAMBEACSOF-ZCFIWIBFSA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1cc(NC(N)=[NH2+])cc(OC)c1 20857751 168236749 /nfs/dbraw/zinc/23/67/49/168236749.db2.gz CDBWVYYYKYLWIW-UHFFFAOYSA-N 1 0 195.222 1.009 50 0 ADAARO COc1cc(NCC[NH3+])cc(OC)c1 79421393 168237760 /nfs/dbraw/zinc/23/77/60/168237760.db2.gz RYLDKTVRIBLNPM-UHFFFAOYSA-N 1 0 196.250 1.074 50 0 ADAARO COc1cc([C@H](C)[NH3+])ccn1 83137663 168238470 /nfs/dbraw/zinc/23/84/70/168238470.db2.gz FFQSFIMSXWJIAT-LURJTMIESA-N 1 0 152.197 1.110 50 0 in-vitro ADAARO COc1cc([C@@H](C)[NH3+])ccn1 83137666 168238521 /nfs/dbraw/zinc/23/85/21/168238521.db2.gz FFQSFIMSXWJIAT-ZCFIWIBFSA-N 1 0 152.197 1.110 50 0 in-vitro ADAARO COc1cc(OC)cc([C@@H](C)[NH3+])c1 34077605 168238539 /nfs/dbraw/zinc/23/85/39/168238539.db2.gz BVAAZZHQLIEDTA-SSDOTTSWSA-N 1 0 181.235 1.724 50 0 ADAARO COc1cc([C@H](C)[NH3+])ccc1F 36436914 168238605 /nfs/dbraw/zinc/23/86/05/168238605.db2.gz ZYUQFKDHMDFLHO-LURJTMIESA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1cc([C@@H](C)[NH3+])ccc1F 36436915 168238626 /nfs/dbraw/zinc/23/86/26/168238626.db2.gz ZYUQFKDHMDFLHO-ZCFIWIBFSA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1cc(OC)cc([C@H](C)[NH3+])c1 34077604 168238713 /nfs/dbraw/zinc/23/87/13/168238713.db2.gz BVAAZZHQLIEDTA-ZETCQYMHSA-N 1 0 181.235 1.724 50 0 ADAARO COc1cc([C@H]([NH3+])C2CC2)ccn1 104670508 168238785 /nfs/dbraw/zinc/23/87/85/168238785.db2.gz AFRKBTOMWRSVSB-SNVBAGLBSA-N 1 0 178.235 1.500 50 0 ADAARO COc1cc(OC)c(OC)cc1C[NH3+] 2524634 168238892 /nfs/dbraw/zinc/23/88/92/168238892.db2.gz CXFDSHYASCMRFH-UHFFFAOYSA-N 1 0 197.234 1.171 50 0 in-vitro ADAARO COc1cc(OC)c(C[NH3+])c(OC)c1 56681 168239089 /nfs/dbraw/zinc/23/90/89/168239089.db2.gz MEWBOZDQQISMJM-UHFFFAOYSA-N 1 0 197.234 1.171 50 0 in-vitro ADAARO COc1cc([C@@H]([NH3+])C2CC2)ccn1 104670509 168239191 /nfs/dbraw/zinc/23/91/91/168239191.db2.gz AFRKBTOMWRSVSB-JTQLQIEISA-N 1 0 178.235 1.500 50 0 ADAARO COc1cc(OC)cc(OCC[NH3+])c1 36204071 168239194 /nfs/dbraw/zinc/23/91/94/168239194.db2.gz RYMVEKOKZTZGFN-UHFFFAOYSA-N 1 0 197.234 1.041 50 0 ADAARO COc1cc2c(cc1OC)CC([NH3+])C2 13471371 168239944 /nfs/dbraw/zinc/23/99/44/168239944.db2.gz TZASGTHDRXFGHT-UHFFFAOYSA-N 1 0 193.246 1.130 50 0 ADAARO COc1cc2c(cc1OC)[C@H](C[NH3+])C2 3590957 168240020 /nfs/dbraw/zinc/24/00/20/168240020.db2.gz JDZSBHBIJDIACW-QMMMGPOBSA-N 1 0 193.246 1.302 50 0 in-vitro ADAARO COc1cc2c(cc1C)C[C@H]([NH3+])C2 6070425 168240094 /nfs/dbraw/zinc/24/00/94/168240094.db2.gz JLESVLCTIOAHPT-JTQLQIEISA-N 1 0 177.247 1.430 50 0 in-vitro ADAARO COc1cc2c(cc1O)[C@H](C)[NH2+]CC2 3847234 168240413 /nfs/dbraw/zinc/24/04/13/168240413.db2.gz CBMULJVNWNTWJM-ZETCQYMHSA-N 1 0 193.246 1.608 50 0 in-vitro ADAARO COc1cc2c(cc1O)CC[NH2+][C@@H]2C 3683318 168240497 /nfs/dbraw/zinc/24/04/97/168240497.db2.gz YTPRLBGPGZHUPD-SSDOTTSWSA-N 1 0 193.246 1.608 50 0 biogenic,in-vitro ADAARO COc1cc2c(cc1OC)C[NH2+]C2 38534737 168240504 /nfs/dbraw/zinc/24/05/04/168240504.db2.gz WMIINIMCTOCKNL-UHFFFAOYSA-N 1 0 179.219 1.307 50 0 in-vitro ADAARO COc1cc2c(cc1F)C[NH2+]CC2 71494750 168240720 /nfs/dbraw/zinc/24/07/20/168240720.db2.gz OZRCKTSWTVIWPT-UHFFFAOYSA-N 1 0 181.210 1.480 50 0 in-vitro ADAARO COc1cc2c(cc1C[NH3+])CCC2 4988682 168240751 /nfs/dbraw/zinc/24/07/51/168240751.db2.gz GDFXDWRMYNDYMB-UHFFFAOYSA-N 1 0 177.247 1.643 50 0 ADAARO COc1cc2c(cc1CC[NH3+])CCC2 14000030 168240760 /nfs/dbraw/zinc/24/07/60/168240760.db2.gz DFCOQNCJHBEMND-UHFFFAOYSA-N 1 0 191.274 1.685 50 0 ADAARO COc1cc2c(cc1O)CC[NH2+][C@H]2C 3683317 168240809 /nfs/dbraw/zinc/24/08/09/168240809.db2.gz YTPRLBGPGZHUPD-ZETCQYMHSA-N 1 0 193.246 1.608 50 0 endogenous,in-man ADAARO COc1cc2c(cc1F)CC[C@H]2[NH3+] 104671247 168240857 /nfs/dbraw/zinc/24/08/57/168240857.db2.gz RBCHTTHUZKKIEI-SECBINFHSA-N 1 0 181.210 1.780 50 0 in-vitro ADAARO COc1cc2c(cc1C[NH3+])O[C@H](C)C2 4159509 168240891 /nfs/dbraw/zinc/24/08/91/168240891.db2.gz QHSSRAPMWRWMDF-SSDOTTSWSA-N 1 0 193.246 1.477 50 0 in-vitro ADAARO COc1cc2c(cc1OC)C[NH2+]CC2 3881969 168240976 /nfs/dbraw/zinc/24/09/76/168240976.db2.gz CEIXWJHURKEBMQ-UHFFFAOYSA-N 1 0 193.246 1.350 50 0 biogenic,in-vitro ADAARO COc1cc2c(cc1Cl)C[NH2+]CC2 71494751 168241192 /nfs/dbraw/zinc/24/11/92/168241192.db2.gz PTADXHYVQLXHNR-UHFFFAOYSA-N 1 0 197.665 1.994 50 0 ADAARO COc1cc2c(cc1O)CC[NH2+]C2 3847319 168241271 /nfs/dbraw/zinc/24/12/71/168241271.db2.gz MHTLPFVHBVOGMZ-UHFFFAOYSA-N 1 0 179.219 1.047 50 0 ADAARO COc1cc2c(cc1F)CC[C@@H]2[NH3+] 104671243 168241299 /nfs/dbraw/zinc/24/12/99/168241299.db2.gz RBCHTTHUZKKIEI-VIFPVBQESA-N 1 0 181.210 1.780 50 0 in-vitro ADAARO COc1cc2c(cc1C)C[NH2+]CC2 71494749 168241332 /nfs/dbraw/zinc/24/13/32/168241332.db2.gz AZYAHDDWJPERCZ-UHFFFAOYSA-N 1 0 177.247 1.649 50 0 ADAARO COc1cc2c(cc1C)C[C@@H]([NH3+])C2 6070424 168241375 /nfs/dbraw/zinc/24/13/75/168241375.db2.gz JLESVLCTIOAHPT-SNVBAGLBSA-N 1 0 177.247 1.430 50 0 in-vitro ADAARO COc1cc2c(cc1OC)[C@H]([NH3+])CC2 12647781 168241377 /nfs/dbraw/zinc/24/13/77/168241377.db2.gz PMFJDFRZFOSMSM-SECBINFHSA-N 1 0 193.246 1.650 50 0 in-vitro ADAARO COc1cc2c(c(OC)c1)C[NH2+]CC2 20594002 168241408 /nfs/dbraw/zinc/24/14/08/168241408.db2.gz XMFBBEUUDCYVCG-UHFFFAOYSA-N 1 0 193.246 1.350 50 0 ADAARO COc1cc2c(cc1OC)[C@@H](C[NH3+])C2 1564832 168241442 /nfs/dbraw/zinc/24/14/42/168241442.db2.gz JDZSBHBIJDIACW-MRVPVSSYSA-N 1 0 193.246 1.302 50 0 in-vitro ADAARO COc1cc2c(cc1O)[C@@H](C)[NH2+]CC2 3847233 168241481 /nfs/dbraw/zinc/24/14/81/168241481.db2.gz CBMULJVNWNTWJM-SSDOTTSWSA-N 1 0 193.246 1.608 50 0 in-vitro ADAARO COc1cc2c(cc1C[NH3+])O[C@@H](C)C2 4159510 168241531 /nfs/dbraw/zinc/24/15/31/168241531.db2.gz QHSSRAPMWRWMDF-ZETCQYMHSA-N 1 0 193.246 1.477 50 0 in-vitro ADAARO COc1cc2c(cc1OC)[C@@H]([NH3+])CC2 2512929 168241572 /nfs/dbraw/zinc/24/15/72/168241572.db2.gz PMFJDFRZFOSMSM-VIFPVBQESA-N 1 0 193.246 1.650 50 0 in-vitro ADAARO COc1ccc(-c2c[nH]c(N)[nH+]2)cc1 5880183 168242679 /nfs/dbraw/zinc/24/26/79/168242679.db2.gz LLAWLJKKTBJSEI-UHFFFAOYSA-N 1 0 189.218 1.668 50 0 in-vitro ADAARO COc1ccc(-n2cc[nH+]c2N)cc1 98213825 168243060 /nfs/dbraw/zinc/24/30/60/168243060.db2.gz JRNCBRIPJQMSDN-UHFFFAOYSA-N 1 0 189.218 1.463 50 0 ADAARO COc1cc2[nH]c(N)[nH+]c2cc1OC 54405089 168243418 /nfs/dbraw/zinc/24/34/18/168243418.db2.gz POWPTEBMSHLSRA-UHFFFAOYSA-N 1 0 193.206 1.162 50 0 in-vitro ADAARO COc1ccc(C(N)=[NH2+])cc1F 34355327 168244828 /nfs/dbraw/zinc/24/48/28/168244828.db2.gz VTHBLBUHGXCSAW-UHFFFAOYSA-N 1 0 168.171 1.118 50 0 ADAARO COc1ccc(/C=C/C[NH3+])cc1 5358624 168244909 /nfs/dbraw/zinc/24/49/09/168244909.db2.gz LAMQOQXDLIDPIZ-NSCUHMNNSA-N 1 0 163.220 1.667 50 0 ADAARO COc1ccc(C(N)=[NH2+])cc1Cl 26897983 168244927 /nfs/dbraw/zinc/24/49/27/168244927.db2.gz FZVNMQOQWGTTRN-UHFFFAOYSA-N 1 0 184.626 1.633 50 0 in-vitro ADAARO COc1ccc(C(C)(C)C[NH3+])cc1 3163213 168245617 /nfs/dbraw/zinc/24/56/17/168245617.db2.gz NKNFEEWRNMJABJ-UHFFFAOYSA-N 1 0 179.263 1.932 50 0 in-vitro ADAARO COc1ccc(C(C)(C)[NH3+])cc1OC 11883619 168245825 /nfs/dbraw/zinc/24/58/25/168245825.db2.gz VKDPBFJRGWKCTN-UHFFFAOYSA-N 1 0 195.262 1.898 50 0 in-vitro ADAARO COc1ccc(C(C)(C)C[NH3+])nc1 98214118 168246157 /nfs/dbraw/zinc/24/61/57/168246157.db2.gz IXPASXGTEYAFLM-UHFFFAOYSA-N 1 0 180.251 1.327 50 0 ADAARO COc1ccc(C(C)(C)[NH3+])cc1 11833570 168246314 /nfs/dbraw/zinc/24/63/14/168246314.db2.gz RITIBMKMOLMSPL-UHFFFAOYSA-N 1 0 165.236 1.889 50 0 in-vitro ADAARO COc1ccc(C2([NH3+])CC(O)C2)cc1 71654939 168247017 /nfs/dbraw/zinc/24/70/17/168247017.db2.gz TYBCCVMYRJUCOA-UHFFFAOYSA-N 1 0 193.246 1.004 50 0 ADAARO COc1ccc(C)cc1C[NH3+] 20282518 168247153 /nfs/dbraw/zinc/24/71/53/168247153.db2.gz XQXMDYVBIZPDHE-UHFFFAOYSA-N 1 0 151.209 1.462 50 0 ADAARO COc1ccc(C)cc1CC[NH3+] 4207312 168247306 /nfs/dbraw/zinc/24/73/06/168247306.db2.gz SMZOUWXMTYCWNB-UHFFFAOYSA-N 1 0 165.236 1.505 50 0 in-vitro ADAARO COc1ccc(C2([NH3+])CC2)cc1 11833572 168247342 /nfs/dbraw/zinc/24/73/42/168247342.db2.gz ANCAJMAPVNINSB-UHFFFAOYSA-N 1 0 163.220 1.643 50 0 in-vitro ADAARO COc1ccc(C2([NH3+])CCC2)cn1 83272842 168247542 /nfs/dbraw/zinc/24/75/42/168247542.db2.gz MPIYRJPXFQXGME-UHFFFAOYSA-N 1 0 178.235 1.428 50 0 ADAARO COc1ccc(C2(C[NH3+])CC2)cc1F 71507051 168247742 /nfs/dbraw/zinc/24/77/42/168247742.db2.gz KWCUQRAMQIEHQQ-UHFFFAOYSA-N 1 0 195.237 1.825 50 0 ADAARO COc1ccc(C2=CC[NH2+]C2)cc1 34865827 168247753 /nfs/dbraw/zinc/24/77/53/168247753.db2.gz PHRJFEYVZYMCIC-UHFFFAOYSA-N 1 0 175.231 1.682 50 0 ADAARO COc1ccc(C=O)c(C[NH+](C)C)c1 18052652 168247845 /nfs/dbraw/zinc/24/78/45/168247845.db2.gz OXQYXSNGCVSCMY-UHFFFAOYSA-N 1 0 193.246 1.569 50 0 ADAARO COc1ccc(C2([NH3+])CC2)cc1F 71498746 168248032 /nfs/dbraw/zinc/24/80/32/168248032.db2.gz UEPDZTQWKXHIFN-UHFFFAOYSA-N 1 0 181.210 1.782 50 0 in-vitro ADAARO COc1ccc(C)cc1NC(N)=[NH2+] 34936108 168248184 /nfs/dbraw/zinc/24/81/84/168248184.db2.gz UBXUUGHVOHTAPV-UHFFFAOYSA-N 1 0 179.223 1.309 50 0 ADAARO COc1ccc(C2(C[NH3+])CC2)cc1 11848920 168248189 /nfs/dbraw/zinc/24/81/89/168248189.db2.gz MHMAVRWOZLLFQF-UHFFFAOYSA-N 1 0 177.247 1.686 50 0 in-vitro ADAARO COc1ccc(C2C[NH2+]C2)cc1 3636527 168248400 /nfs/dbraw/zinc/24/84/00/168248400.db2.gz JBMISQBTERXMTI-UHFFFAOYSA-N 1 0 163.220 1.382 50 0 ADAARO COc1ccc(C2(C[NH3+])CC2)nc1 83272844 168248426 /nfs/dbraw/zinc/24/84/26/168248426.db2.gz JUQQDKBPYIBVDO-UHFFFAOYSA-N 1 0 178.235 1.081 50 0 ADAARO COc1ccc(CCC[NH3+])cc1OC 2981238 168248532 /nfs/dbraw/zinc/24/85/32/168248532.db2.gz WYYQSKUMIFPNFW-UHFFFAOYSA-N 1 0 195.262 1.595 50 0 biogenic,in-vitro ADAARO COc1ccc(CC(N)=[NH2+])cc1OC 1439094 168248539 /nfs/dbraw/zinc/24/85/39/168248539.db2.gz RVUXCWDICCCZHU-UHFFFAOYSA-N 1 0 194.234 1.182 50 0 in-vitro ADAARO COc1ccc(CCCC[NH3+])cc1 11596948 168248558 /nfs/dbraw/zinc/24/85/58/168248558.db2.gz USDPTYHOEKPQAN-UHFFFAOYSA-N 1 0 179.263 1.977 50 0 ADAARO COc1ccc(C[NH3+])c(F)c1 2528603 168248562 /nfs/dbraw/zinc/24/85/62/168248562.db2.gz YLFBKZFZNVESRP-UHFFFAOYSA-N 1 0 155.172 1.293 50 0 in-vitro ADAARO COc1ccc(CC(C)(C)[NH3+])cc1 5357251 168248574 /nfs/dbraw/zinc/24/85/74/168248574.db2.gz DUMKDWRRTLFHTA-UHFFFAOYSA-N 1 0 179.263 1.975 50 0 in-vitro ADAARO COc1ccc(CCC[NH3+])cc1 4520795 168248578 /nfs/dbraw/zinc/24/85/78/168248578.db2.gz NUZDQSUVPDNSSJ-UHFFFAOYSA-N 1 0 165.236 1.587 50 0 in-vitro ADAARO COc1ccc(CC[NH3+])cc1Cl 2571629 168248583 /nfs/dbraw/zinc/24/85/83/168248583.db2.gz RRYLJVQKSZWVQA-UHFFFAOYSA-N 1 0 185.654 1.850 50 0 ADAARO COc1ccc(C[N@H+](C)CCO)cc1 38916733 168248638 /nfs/dbraw/zinc/24/86/38/168248638.db2.gz WZEZFODKNYQNDO-UHFFFAOYSA-N 1 0 195.262 1.119 50 0 ADAARO COc1ccc(CC[C@@H](C)[NH3+])cc1 2563295 168248716 /nfs/dbraw/zinc/24/87/16/168248716.db2.gz JMHAKVPFYWWNOW-SECBINFHSA-N 1 0 179.263 1.975 50 0 in-vitro ADAARO COc1ccc(CC[NH3+])c(C)c1OC 1593644 168248829 /nfs/dbraw/zinc/24/88/29/168248829.db2.gz KKZVPASGVLAGFC-UHFFFAOYSA-N 1 0 195.262 1.513 50 0 in-vitro ADAARO COc1ccc(CC[NH3+])cc1F 1731705 168249051 /nfs/dbraw/zinc/24/90/51/168249051.db2.gz QIVBJMNUDCAJED-UHFFFAOYSA-N 1 0 169.199 1.336 50 0 in-vitro ADAARO COc1ccc(CC[NH3+])cc1C 6678082 168249176 /nfs/dbraw/zinc/24/91/76/168249176.db2.gz NBFFCNUWKJZAKU-UHFFFAOYSA-N 1 0 165.236 1.505 50 0 in-vitro ADAARO COc1ccc(C[NH3+])c(C)c1 62714078 168249181 /nfs/dbraw/zinc/24/91/81/168249181.db2.gz RYTPCWXDKCCDBI-UHFFFAOYSA-N 1 0 151.209 1.462 50 0 ADAARO COc1ccc(CC[NH3+])cc1OC 388739 168249214 /nfs/dbraw/zinc/24/92/14/168249214.db2.gz ANOUKFYBOAKOIR-UHFFFAOYSA-N 1 0 181.235 1.205 50 0 endogenous,investigational ADAARO COc1ccc(C[NH+](C)C)cc1N 20283660 168249219 /nfs/dbraw/zinc/24/92/19/168249219.db2.gz SSLQLVCHGHMQJJ-UHFFFAOYSA-N 1 0 180.251 1.339 50 0 ADAARO COc1ccc(CC[NH+](C)C)cc1 5957989 168249230 /nfs/dbraw/zinc/24/92/30/168249230.db2.gz BGSZBHCYLIHECZ-UHFFFAOYSA-N 1 0 179.263 1.799 50 0 in-vitro ADAARO COc1ccc(C[NH+](C)C)cc1C=O 6677888 168249232 /nfs/dbraw/zinc/24/92/32/168249232.db2.gz FKWQCOYGLJPUQS-UHFFFAOYSA-N 1 0 193.246 1.569 50 0 ADAARO COc1ccc(C[NH3+])c(F)c1F 2528370 168249274 /nfs/dbraw/zinc/24/92/74/168249274.db2.gz DBQHLJOOMYBKNQ-UHFFFAOYSA-N 1 0 173.162 1.432 50 0 ADAARO COc1ccc(CC2(C[NH3+])CC2)cc1 71505841 168249399 /nfs/dbraw/zinc/24/93/99/168249399.db2.gz NWQZAMUQCJCAGJ-UHFFFAOYSA-N 1 0 191.274 1.977 50 0 ADAARO COc1ccc(CC[NH3+])c(OC)c1 1604309 168249424 /nfs/dbraw/zinc/24/94/24/168249424.db2.gz YDTQAPOROITHCN-UHFFFAOYSA-N 1 0 181.235 1.205 50 0 in-vitro ADAARO COc1ccc(CC(N)=[NH2+])cc1F 1443033 168249598 /nfs/dbraw/zinc/24/95/98/168249598.db2.gz SHROYAJKJCXIFM-UHFFFAOYSA-N 1 0 182.198 1.313 50 0 in-vitro ADAARO COc1ccc(CC[NH3+])cc1 391188 168249604 /nfs/dbraw/zinc/24/96/04/168249604.db2.gz LTPVSOCPYWDIFU-UHFFFAOYSA-N 1 0 151.209 1.196 50 0 biogenic,in-vitro ADAARO COc1ccc(CN(C)C(N)=[NH2+])cc1 19090457 168249607 /nfs/dbraw/zinc/24/96/07/168249607.db2.gz NGCCBKPTVAYJBQ-UHFFFAOYSA-N 1 0 193.250 1.020 50 0 in-vitro ADAARO COc1ccc(CC2([NH3+])CC2)cc1 16916791 168249609 /nfs/dbraw/zinc/24/96/09/168249609.db2.gz WUIKIXPYHDDNRE-UHFFFAOYSA-N 1 0 177.247 1.729 50 0 in-vitro ADAARO COc1ccc(CC2=[NH+]CCN2)cc1 1692957 168249651 /nfs/dbraw/zinc/24/96/51/168249651.db2.gz WXPYWXPVCYJLOL-UHFFFAOYSA-N 1 0 190.246 1.239 50 0 ADAARO COc1ccc(C[NH3+])c(Cl)c1 44249572 168249754 /nfs/dbraw/zinc/24/97/54/168249754.db2.gz BIUYGSUUWLLILY-UHFFFAOYSA-N 1 0 171.627 1.807 50 0 in-vitro ADAARO COc1ccc(CC(N)=[NH2+])cc1 493890 168249817 /nfs/dbraw/zinc/24/98/17/168249817.db2.gz BHZLRLGEHGWOED-UHFFFAOYSA-N 1 0 164.208 1.174 50 0 in-vitro ADAARO COc1ccc(CC[NH3+])c(F)c1 44396764 168249843 /nfs/dbraw/zinc/24/98/43/168249843.db2.gz ZCGYIRXIAQVDFM-UHFFFAOYSA-N 1 0 169.199 1.336 50 0 in-vitro ADAARO COc1ccc(CC[NH3+])c(Cl)c1 21994492 168249945 /nfs/dbraw/zinc/24/99/45/168249945.db2.gz SZQPCLQVRLLNHD-UHFFFAOYSA-N 1 0 185.654 1.850 50 0 ADAARO COc1ccc(CC[C@H](C)[NH3+])cc1 1634317 168249983 /nfs/dbraw/zinc/24/99/83/168249983.db2.gz JMHAKVPFYWWNOW-VIFPVBQESA-N 1 0 179.263 1.975 50 0 in-vitro ADAARO COc1ccc(CC2C[NH2+]C2)cc1 20281641 168249990 /nfs/dbraw/zinc/24/99/90/168249990.db2.gz UIQYJVOFTBMKDD-UHFFFAOYSA-N 1 0 177.247 1.457 50 0 in-vitro ADAARO COc1ccc(CN(C)CC[NH3+])cc1 96319873 168250048 /nfs/dbraw/zinc/25/00/48/168250048.db2.gz PSUOGTOBVPQWMK-UHFFFAOYSA-N 1 0 194.278 1.086 50 0 ADAARO COc1ccc(C[C@H](C)[NH3+])cc1 403035 168250325 /nfs/dbraw/zinc/25/03/25/168250325.db2.gz NEGYEDYHPHMHGK-QMMMGPOBSA-N 1 0 165.236 1.585 50 0 in-man ADAARO COc1ccc(CSCC[NH3+])cc1 2519011 168250432 /nfs/dbraw/zinc/25/04/32/168250432.db2.gz JDPIICVTDYJKJG-UHFFFAOYSA-N 1 0 197.303 1.887 50 0 ADAARO COc1ccc(C[C@H](C)C[NH3+])cc1 11975000 168250459 /nfs/dbraw/zinc/25/04/59/168250459.db2.gz JXRFSKNSANGNGB-VIFPVBQESA-N 1 0 179.263 1.833 50 0 in-vitro ADAARO COc1ccc(C[NH3+])c(OC)c1OC 1650060 168250547 /nfs/dbraw/zinc/25/05/47/168250547.db2.gz QWZMCOACPDTUIO-UHFFFAOYSA-N 1 0 197.234 1.171 50 0 ADAARO COc1ccc(C[C@@H]2CC[NH2+]C2)cc1 6145762 168250569 /nfs/dbraw/zinc/25/05/69/168250569.db2.gz GBFZEOSJYVTTOW-NSHDSACASA-N 1 0 191.274 1.847 50 0 in-vitro ADAARO COc1ccc(C[NH3+])cc1F 2528605 168250801 /nfs/dbraw/zinc/25/08/01/168250801.db2.gz AZHAJNNLBSKSOB-UHFFFAOYSA-N 1 0 155.172 1.293 50 0 in-vitro ADAARO COc1ccc(C[C@H]2CC[NH2+]2)cc1 75772207 168250884 /nfs/dbraw/zinc/25/08/84/168250884.db2.gz WLFCZZGVSCGEAL-SNVBAGLBSA-N 1 0 177.247 1.600 50 0 in-vitro ADAARO COc1ccc(C[NH3+])cc1C 37184025 168250904 /nfs/dbraw/zinc/25/09/04/168250904.db2.gz XDGSESTXOSTZCM-UHFFFAOYSA-N 1 0 151.209 1.462 50 0 in-vitro ADAARO COc1ccc(C[C@@H](C)[NH3+])c(OC)c1 6036825 168250913 /nfs/dbraw/zinc/25/09/13/168250913.db2.gz DQWOZMUBHQPFFF-MRVPVSSYSA-N 1 0 195.262 1.594 50 0 in-vitro ADAARO COc1ccc(COCC[NH3+])cc1 19965667 168250915 /nfs/dbraw/zinc/25/09/15/168250915.db2.gz YNDFLZDLJHOLQN-UHFFFAOYSA-N 1 0 181.235 1.171 50 0 in-vitro ADAARO COc1ccc(C[C@@H](C)[NH3+])cc1 403036 168251173 /nfs/dbraw/zinc/25/11/73/168251173.db2.gz NEGYEDYHPHMHGK-MRVPVSSYSA-N 1 0 165.236 1.585 50 0 in-man ADAARO COc1ccc(C[C@H](C)[NH3+])c(OC)c1 6021008 168251178 /nfs/dbraw/zinc/25/11/78/168251178.db2.gz DQWOZMUBHQPFFF-QMMMGPOBSA-N 1 0 195.262 1.594 50 0 in-vitro ADAARO COc1ccc(C[C@H](C)[NH3+])cc1OC 1728063 168251244 /nfs/dbraw/zinc/25/12/44/168251244.db2.gz KAZPHAGSWZTKDW-QMMMGPOBSA-N 1 0 195.262 1.594 50 0 in-vitro ADAARO COc1ccc(C[C@@H]2CC[NH2+]2)cc1 75772203 168251273 /nfs/dbraw/zinc/25/12/73/168251273.db2.gz WLFCZZGVSCGEAL-JTQLQIEISA-N 1 0 177.247 1.600 50 0 in-vitro ADAARO COc1ccc(COCCC[NH3+])cc1 19965668 168251291 /nfs/dbraw/zinc/25/12/91/168251291.db2.gz AQJLVDMLUDKTAQ-UHFFFAOYSA-N 1 0 195.262 1.561 50 0 in-vitro ADAARO COc1ccc(C[C@@H](C)[NH3+])cc1O 19270192 168251292 /nfs/dbraw/zinc/25/12/92/168251292.db2.gz IHPFVQVCJHQPFN-SSDOTTSWSA-N 1 0 181.235 1.291 50 0 ADAARO COc1ccc(C[C@H]2CCC[NH2+]2)cc1 3732241 168251362 /nfs/dbraw/zinc/25/13/62/168251362.db2.gz QAMFOPPPDHATJR-LLVKDONJSA-N 1 0 191.274 1.990 50 0 in-vitro ADAARO COc1ccc(C[C@@H]2CCC[NH2+]2)cc1 2582578 168251419 /nfs/dbraw/zinc/25/14/19/168251419.db2.gz QAMFOPPPDHATJR-NSHDSACASA-N 1 0 191.274 1.990 50 0 in-vitro ADAARO COc1ccc(C[NH2+]C2CC2)cc1 4206859 168251489 /nfs/dbraw/zinc/25/14/89/168251489.db2.gz QVRKRVOSGOVKPC-UHFFFAOYSA-N 1 0 177.247 1.947 50 0 in-vitro ADAARO COc1ccc(C[C@H]2CC[NH2+]C2)cc1 2529104 168251560 /nfs/dbraw/zinc/25/15/60/168251560.db2.gz GBFZEOSJYVTTOW-LLVKDONJSA-N 1 0 191.274 1.847 50 0 in-vitro ADAARO COc1ccc(C[C@@H](C)C[NH3+])cc1 11974994 168251591 /nfs/dbraw/zinc/25/15/91/168251591.db2.gz JXRFSKNSANGNGB-SECBINFHSA-N 1 0 179.263 1.833 50 0 in-vitro ADAARO COc1ccc(CSC(N)=[NH2+])cc1 17002865 168251601 /nfs/dbraw/zinc/25/16/01/168251601.db2.gz UZINFBQPZVMBMA-UHFFFAOYSA-N 1 0 196.275 1.822 50 0 in-vivo ADAARO COc1ccc(C[NH3+])cc1 157596 168251603 /nfs/dbraw/zinc/25/16/03/168251603.db2.gz IDPURXSQCKYKIJ-UHFFFAOYSA-N 1 0 137.182 1.154 50 0 in-vitro ADAARO COc1ccc(C[NH3+])cc1Cl 170050 168251627 /nfs/dbraw/zinc/25/16/27/168251627.db2.gz OCNMSDZALRAYEX-UHFFFAOYSA-N 1 0 171.627 1.807 50 0 in-vitro ADAARO COc1ccc(C[NH3+])cc1OC 392018 168251638 /nfs/dbraw/zinc/25/16/38/168251638.db2.gz DIVNUTGTTIRPQA-UHFFFAOYSA-N 1 0 167.208 1.163 50 0 in-vitro ADAARO COc1ccc(COC2C[NH2+]C2)cc1 42770129 168251669 /nfs/dbraw/zinc/25/16/69/168251669.db2.gz YJUVUYMZTANBRB-UHFFFAOYSA-N 1 0 193.246 1.184 50 0 in-vitro ADAARO COc1ccc(C[NH3+])cc1NC(C)=O 47843959 168251676 /nfs/dbraw/zinc/25/16/76/168251676.db2.gz UUBWQNDWSPJTCI-UHFFFAOYSA-N 1 0 194.234 1.112 50 0 in-vitro ADAARO COc1ccc(C[NH3+])c(OC)c1 119693 168251706 /nfs/dbraw/zinc/25/17/06/168251706.db2.gz QOWBXWFYRXSBAS-UHFFFAOYSA-N 1 0 167.208 1.163 50 0 in-vitro ADAARO COc1ccc(C[NH2+]CCCO)cc1 2555529 168251780 /nfs/dbraw/zinc/25/17/80/168251780.db2.gz CUWZGYOFFQYIKV-UHFFFAOYSA-N 1 0 195.262 1.167 50 0 in-vitro ADAARO COc1ccc(C[C@@H](C)[NH3+])cc1OC 2041024 168251836 /nfs/dbraw/zinc/25/18/36/168251836.db2.gz KAZPHAGSWZTKDW-MRVPVSSYSA-N 1 0 195.262 1.594 50 0 in-vitro ADAARO COc1ccc(C[NH2+]C2COC2)cc1 71792168 168251852 /nfs/dbraw/zinc/25/18/52/168251852.db2.gz OUZQBOANANCFPD-UHFFFAOYSA-N 1 0 193.246 1.184 50 0 ADAARO COc1ccc(C[C@H](C)[NH3+])cc1O 19270194 168251859 /nfs/dbraw/zinc/25/18/59/168251859.db2.gz IHPFVQVCJHQPFN-ZETCQYMHSA-N 1 0 181.235 1.291 50 0 ADAARO COc1ccc(F)cc1CC[NH3+] 39952846 168252058 /nfs/dbraw/zinc/25/20/58/168252058.db2.gz LGRPLCAEJHVACV-UHFFFAOYSA-N 1 0 169.199 1.336 50 0 ADAARO COc1ccc(Cl)c(C[NH3+])c1 82400260 168252302 /nfs/dbraw/zinc/25/23/02/168252302.db2.gz HUTHAKNPNVJVBP-UHFFFAOYSA-N 1 0 171.627 1.807 50 0 ADAARO COc1ccc(Cl)cc1C(N)=[NH2+] 26897981 168252334 /nfs/dbraw/zinc/25/23/34/168252334.db2.gz WRYVNSLKWKHAGZ-UHFFFAOYSA-N 1 0 184.626 1.633 50 0 ADAARO COc1ccc(F)c(F)c1C[NH3+] 2528404 168252569 /nfs/dbraw/zinc/25/25/69/168252569.db2.gz TYGWYXQDCGKHHY-UHFFFAOYSA-N 1 0 173.162 1.432 50 0 ADAARO COc1ccc(F)c(C[NH3+])c1F 2527828 168252591 /nfs/dbraw/zinc/25/25/91/168252591.db2.gz TXUYEEPUVOCDCE-UHFFFAOYSA-N 1 0 173.162 1.432 50 0 ADAARO COc1ccc(Cl)cc1NC(N)=[NH2+] 34936105 168252633 /nfs/dbraw/zinc/25/26/33/168252633.db2.gz ABXQGASFIGRTQU-UHFFFAOYSA-N 1 0 199.641 1.654 50 0 ADAARO COc1ccc(F)cc1C[NH3+] 2528608 168252795 /nfs/dbraw/zinc/25/27/95/168252795.db2.gz IYQIJUZZRLPXIL-UHFFFAOYSA-N 1 0 155.172 1.293 50 0 in-vitro ADAARO COc1ccc(Cl)c(C[NH3+])c1F 38530062 168252861 /nfs/dbraw/zinc/25/28/61/168252861.db2.gz HRDZQFHRDGSFBB-UHFFFAOYSA-N 1 0 189.617 1.946 50 0 ADAARO COc1ccc(Cl)cc1CC[NH3+] 11951781 168252928 /nfs/dbraw/zinc/25/29/28/168252928.db2.gz YDRHMPXHIWRLIE-UHFFFAOYSA-N 1 0 185.654 1.850 50 0 in-vitro ADAARO COc1ccc(F)c(C[NH3+])c1Cl 12359286 168253223 /nfs/dbraw/zinc/25/32/23/168253223.db2.gz AVAJULXALLCUQO-UHFFFAOYSA-N 1 0 189.617 1.946 50 0 ADAARO COc1ccc(F)c(C[NH3+])c1 2528604 168253243 /nfs/dbraw/zinc/25/32/43/168253243.db2.gz BAFHKFIYBFCXAU-UHFFFAOYSA-N 1 0 155.172 1.293 50 0 in-vitro ADAARO COc1ccc(Cl)cc1C[NH3+] 2524606 168253358 /nfs/dbraw/zinc/25/33/58/168253358.db2.gz GIGGUFCYUVFLJZ-UHFFFAOYSA-N 1 0 171.627 1.807 50 0 in-vitro ADAARO COc1ccc(F)cc1[C@@H](C)[NH3+] 3705336 168253725 /nfs/dbraw/zinc/25/37/25/168253725.db2.gz JFNGTRVLHDCFOX-ZCFIWIBFSA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1ccc(NC(N)=[NH2+])c(OC)c1 20857768 168254651 /nfs/dbraw/zinc/25/46/51/168254651.db2.gz XORJLJHXPWFVSW-UHFFFAOYSA-N 1 0 195.222 1.009 50 0 ADAARO COc1ccc(NC(N)=[NH2+])cc1 4772989 168254812 /nfs/dbraw/zinc/25/48/12/168254812.db2.gz VGFALHATLLBXIT-UHFFFAOYSA-N 1 0 165.196 1.001 50 0 in-vitro ADAARO COc1ccc(F)cc1[C@H](C)[NH3+] 3705335 168254833 /nfs/dbraw/zinc/25/48/33/168254833.db2.gz JFNGTRVLHDCFOX-LURJTMIESA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1ccc(NC(N)=[NH2+])cc1OC 13858907 168254859 /nfs/dbraw/zinc/25/48/59/168254859.db2.gz KCEIBYAXTBNNRZ-UHFFFAOYSA-N 1 0 195.222 1.009 50 0 ADAARO COc1ccc(NC(N)=[NH2+])cc1Cl 31772056 168254870 /nfs/dbraw/zinc/25/48/70/168254870.db2.gz JGOPTUOKOZUFBJ-UHFFFAOYSA-N 1 0 199.641 1.654 50 0 ADAARO COc1ccc(NC2=[NH+]CCN2)cc1 1668186 168255394 /nfs/dbraw/zinc/25/53/94/168255394.db2.gz ZCGHVGWHOPGTES-UHFFFAOYSA-N 1 0 191.234 1.066 50 0 in-vitro ADAARO COc1ccc([C@@H](C)[NH3+])cc1 295628 168255654 /nfs/dbraw/zinc/25/56/54/168255654.db2.gz JTDGKQNNPKXKII-SSDOTTSWSA-N 1 0 151.209 1.715 50 0 in-vitro ADAARO COc1ccc([C@@H](C)[NH3+])c(F)c1 28278586 168255716 /nfs/dbraw/zinc/25/57/16/168255716.db2.gz WZMIJZHSKHBAEZ-ZCFIWIBFSA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1ccc(O[C@H]2CC[NH2+]C2)cc1 14632226 168255720 /nfs/dbraw/zinc/25/57/20/168255720.db2.gz LOZZTKQZMOFMBP-NSHDSACASA-N 1 0 193.246 1.436 50 0 in-vitro ADAARO COc1ccc(OC)c([C@H](C)[NH3+])c1 874542 168255788 /nfs/dbraw/zinc/25/57/88/168255788.db2.gz ZWYIVRRLANGKDU-ZETCQYMHSA-N 1 0 181.235 1.724 50 0 in-vitro ADAARO COc1ccc([C@@H](C)[NH3+])c(OC)c1 3705573 168255914 /nfs/dbraw/zinc/25/59/14/168255914.db2.gz WZDFPSLDFRVYEU-SSDOTTSWSA-N 1 0 181.235 1.724 50 0 ADAARO COc1ccc(OCC[NH3+])cc1 2144794 168255928 /nfs/dbraw/zinc/25/59/28/168255928.db2.gz YXRCDWIZAGWUBL-UHFFFAOYSA-N 1 0 167.208 1.033 50 0 in-vitro ADAARO COc1ccc(OC)c2c1CC[NH2+]C2 19624594 168256153 /nfs/dbraw/zinc/25/61/53/168256153.db2.gz XYFBJOKZCLYMEM-UHFFFAOYSA-N 1 0 193.246 1.350 50 0 ADAARO COc1ccc(OC[C@H](C)[NH3+])cc1 4511149 168256159 /nfs/dbraw/zinc/25/61/59/168256159.db2.gz FCFNBPVBEYMDKC-QMMMGPOBSA-N 1 0 181.235 1.421 50 0 in-vitro ADAARO COc1ccc([C@@H](C)[NH3+])cc1F 3705328 168256188 /nfs/dbraw/zinc/25/61/88/168256188.db2.gz WGUPBBABCUKYCC-ZCFIWIBFSA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1ccc(OC2C[NH2+]C2)cc1 2548664 168256215 /nfs/dbraw/zinc/25/62/15/168256215.db2.gz BRAURHKCYODXSQ-UHFFFAOYSA-N 1 0 179.219 1.046 50 0 ADAARO COc1ccc([C@@H](C)[NH3+])cc1OC 296167 168256265 /nfs/dbraw/zinc/25/62/65/168256265.db2.gz OEPFPKVWOOSTBV-SSDOTTSWSA-N 1 0 181.235 1.724 50 0 in-vitro ADAARO COc1ccc(O[C@H]2C[C@H]([NH3+])C2)cc1 250591792 168256400 /nfs/dbraw/zinc/25/64/00/168256400.db2.gz ZBMHFACAWPTFMW-JLIMDTESSA-N 1 0 193.246 1.564 50 0 ADAARO COc1ccc(OC)c(CC[NH3+])c1 389703 168256457 /nfs/dbraw/zinc/25/64/57/168256457.db2.gz WNCUVUUEJZEATP-UHFFFAOYSA-N 1 0 181.235 1.205 50 0 in-vitro ADAARO COc1ccc(OC)c(C[NH3+])c1 4227538 168256473 /nfs/dbraw/zinc/25/64/73/168256473.db2.gz UWMCHDDHXMFKMA-UHFFFAOYSA-N 1 0 167.208 1.163 50 0 in-vitro ADAARO COc1ccc(OCC[NH+](C)C)cc1 34463140 168256490 /nfs/dbraw/zinc/25/64/90/168256490.db2.gz LTVRUDZZRDMXFX-UHFFFAOYSA-N 1 0 195.262 1.636 50 0 ADAARO COc1ccc(O[C@@H](C)C[NH3+])cc1 11946107 168256513 /nfs/dbraw/zinc/25/65/13/168256513.db2.gz HIWWBKQBOHWJIM-QMMMGPOBSA-N 1 0 181.235 1.421 50 0 in-vitro ADAARO COc1ccc(OCC(N)=[NH2+])cc1 14807460 168256567 /nfs/dbraw/zinc/25/65/67/168256567.db2.gz ZAVSPGJDAHKCPE-UHFFFAOYSA-N 1 0 180.207 1.010 50 0 in-vitro ADAARO COc1ccc(OCCC[NH3+])cc1 4299010 168256825 /nfs/dbraw/zinc/25/68/25/168256825.db2.gz NCGAPYLHHZMWPI-UHFFFAOYSA-N 1 0 181.235 1.423 50 0 in-vitro ADAARO COc1ccc(OC)c([C@@H](C)[NH3+])c1 874543 168256852 /nfs/dbraw/zinc/25/68/52/168256852.db2.gz ZWYIVRRLANGKDU-SSDOTTSWSA-N 1 0 181.235 1.724 50 0 in-vitro ADAARO COc1ccc(SC2C[NH2+]C2)cc1 54931755 168256861 /nfs/dbraw/zinc/25/68/61/168256861.db2.gz RSQYWVHYJBWZTG-UHFFFAOYSA-N 1 0 195.287 1.759 50 0 ADAARO COc1ccc([C@@H](C)C[NH3+])cc1 5354327 168256904 /nfs/dbraw/zinc/25/69/04/168256904.db2.gz LUOOSDUSUYCCFY-QMMMGPOBSA-N 1 0 165.236 1.757 50 0 ADAARO COc1ccc(OC[C@@H](C)[NH3+])cc1 4511151 168256940 /nfs/dbraw/zinc/25/69/40/168256940.db2.gz FCFNBPVBEYMDKC-MRVPVSSYSA-N 1 0 181.235 1.421 50 0 in-vitro ADAARO COc1ccc(OC)c(NC(N)=[NH2+])c1 2510055 168256943 /nfs/dbraw/zinc/25/69/43/168256943.db2.gz BYAZYAATGAEOKL-UHFFFAOYSA-N 1 0 195.222 1.009 50 0 ADAARO COc1ccc(SCC[NH3+])cc1 19090504 168256980 /nfs/dbraw/zinc/25/69/80/168256980.db2.gz GXZCTRPMQTYSHX-UHFFFAOYSA-N 1 0 183.276 1.746 50 0 in-vitro ADAARO COc1ccc(O[C@@H]2CC[NH2+]C2)cc1 14632225 168256991 /nfs/dbraw/zinc/25/69/91/168256991.db2.gz LOZZTKQZMOFMBP-LLVKDONJSA-N 1 0 193.246 1.436 50 0 in-vitro ADAARO COc1ccc(O[C@H](C)C[NH3+])cc1 2583848 168257001 /nfs/dbraw/zinc/25/70/01/168257001.db2.gz HIWWBKQBOHWJIM-MRVPVSSYSA-N 1 0 181.235 1.421 50 0 in-vitro ADAARO COc1ccc(OC)c(CCC[NH3+])c1 11596900 168257004 /nfs/dbraw/zinc/25/70/04/168257004.db2.gz RTBLTCFCRGIGFB-UHFFFAOYSA-N 1 0 195.262 1.595 50 0 in-vitro ADAARO COc1ccc([C@@H]([NH3+])[C@H](C)O)cc1 41201656 168257235 /nfs/dbraw/zinc/25/72/35/168257235.db2.gz ZBXPOHJSNYWSOE-XVKPBYJWSA-N 1 0 181.235 1.076 50 0 ADAARO COc1ccc([C@@H](O)[C@@H](C)[NH3+])cc1 1707632 168257395 /nfs/dbraw/zinc/25/73/95/168257395.db2.gz OAUQWSYUJGFNKY-XCBNKYQSSA-N 1 0 181.235 1.076 50 0 in-vitro ADAARO COc1ccc([C@@H](OC)[C@H](C)[NH3+])cc1 39090530 168257574 /nfs/dbraw/zinc/25/75/74/168257574.db2.gz WHPCVJVNMYMZAG-KWQFWETISA-N 1 0 195.262 1.730 50 0 in-vitro ADAARO COc1ccc([C@@H]2CC[NH2+]2)cc1 42784325 168257641 /nfs/dbraw/zinc/25/76/41/168257641.db2.gz JGRQFXJWMOUDTP-JTQLQIEISA-N 1 0 163.220 1.730 50 0 ADAARO COc1ccc([C@@H]2COCC[NH2+]2)cc1 2513105 168257727 /nfs/dbraw/zinc/25/77/27/168257727.db2.gz BMCOYPKKBOYPHE-NSHDSACASA-N 1 0 193.246 1.356 50 0 in-vitro ADAARO COc1ccc([C@@H]([NH3+])[C@@H](C)O)cc1 41201659 168257732 /nfs/dbraw/zinc/25/77/32/168257732.db2.gz ZBXPOHJSNYWSOE-XCBNKYQSSA-N 1 0 181.235 1.076 50 0 ADAARO COc1ccc([C@@H](C)[NH3+])cn1 72225049 168257755 /nfs/dbraw/zinc/25/77/55/168257755.db2.gz QZCQDZMQHCBXQU-ZCFIWIBFSA-N 1 0 152.197 1.110 50 0 ADAARO COc1ccc([C@@H]([NH3+])C2CC2)nc1 255189085 168257758 /nfs/dbraw/zinc/25/77/58/168257758.db2.gz NOUSTBMLHXRSFO-JTQLQIEISA-N 1 0 178.235 1.500 50 0 ADAARO COc1ccc([C@@H](C[NH3+])N(C)C)cc1 19362035 168257820 /nfs/dbraw/zinc/25/78/20/168257820.db2.gz DIFDGMFDUHMXCH-LLVKDONJSA-N 1 0 194.278 1.257 50 0 in-vitro ADAARO COc1ccc([C@@H]2CC[NH2+]C2)cc1F 49811480 168257865 /nfs/dbraw/zinc/25/78/65/168257865.db2.gz ZGMOAKSZDKNKTF-SECBINFHSA-N 1 0 195.237 1.911 50 0 ADAARO COc1ccc([C@@H](C)[NH3+])nc1 83268297 168258153 /nfs/dbraw/zinc/25/81/53/168258153.db2.gz XFPSDYRFLSUNKD-ZCFIWIBFSA-N 1 0 152.197 1.110 50 0 in-vitro ADAARO COc1ccc([C@@H]([NH3+])CF)cc1 20285885 168258163 /nfs/dbraw/zinc/25/81/63/168258163.db2.gz GNDIMHGDBHXPAB-VIFPVBQESA-N 1 0 169.199 1.665 50 0 in-vitro ADAARO COc1ccc([C@@H](C[NH3+])OC)cc1 14616905 168258198 /nfs/dbraw/zinc/25/81/98/168258198.db2.gz VQMILJNGYNHZHB-SNVBAGLBSA-N 1 0 181.235 1.341 50 0 ADAARO COc1ccc([C@@H](O)C[NH+](C)C)cc1 19784777 168258268 /nfs/dbraw/zinc/25/82/68/168258268.db2.gz UWKIAYYRGPTMIS-NSHDSACASA-N 1 0 195.262 1.290 50 0 ADAARO COc1ccc([C@@H]2CCC[NH2+]2)cn1 6235270 168258277 /nfs/dbraw/zinc/25/82/77/168258277.db2.gz UPHRHXBEESDMCP-VIFPVBQESA-N 1 0 178.235 1.515 50 0 in-vitro ADAARO COc1ccc([C@@H](O)[C@H](C)[NH3+])cc1 4592738 168258354 /nfs/dbraw/zinc/25/83/54/168258354.db2.gz OAUQWSYUJGFNKY-XVKPBYJWSA-N 1 0 181.235 1.076 50 0 in-vitro ADAARO COc1ccc([C@@H](OC)[C@@H](C)[NH3+])cc1 39090531 168258356 /nfs/dbraw/zinc/25/83/56/168258356.db2.gz WHPCVJVNMYMZAG-KCJUWKMLSA-N 1 0 195.262 1.730 50 0 in-vitro ADAARO COc1ccc([C@@H]2C[C@H]2[NH3+])cc1 29046299 168258380 /nfs/dbraw/zinc/25/83/80/168258380.db2.gz SCLDJNREJBDLHE-VHSXEESVSA-N 1 0 163.220 1.510 50 0 ADAARO COc1ccc([C@@H]2CC[NH2+]C2)cn1 83272837 168258441 /nfs/dbraw/zinc/25/84/41/168258441.db2.gz HPLWSZAHTLRPGO-SECBINFHSA-N 1 0 178.235 1.167 50 0 ADAARO COc1ccc([C@@H]2CC[NH2+]C2)nc1 75085785 168258477 /nfs/dbraw/zinc/25/84/77/168258477.db2.gz ZVVKWZNPQKQJOE-MRVPVSSYSA-N 1 0 178.235 1.167 50 0 ADAARO COc1ccc([C@@H]([NH3+])CCO)cc1 4262562 168258493 /nfs/dbraw/zinc/25/84/93/168258493.db2.gz WHWMCHUIUINGOD-JTQLQIEISA-N 1 0 181.235 1.077 50 0 in-vitro ADAARO COc1ccc([C@@H]2C[NH2+]CCO2)cc1 2513058 168258502 /nfs/dbraw/zinc/25/85/02/168258502.db2.gz PLULTGXHWIAVIR-NSHDSACASA-N 1 0 193.246 1.356 50 0 in-vitro ADAARO COc1ccc([C@@H]2CCCC[NH2+]2)cn1 3734784 168258540 /nfs/dbraw/zinc/25/85/40/168258540.db2.gz PZPSASQDMBLQNN-JTQLQIEISA-N 1 0 192.262 1.905 50 0 ADAARO COc1ccc([C@@H]2CC[NH2+]C2)cc1 2509809 168258595 /nfs/dbraw/zinc/25/85/95/168258595.db2.gz UPSZBLIRYUFEOF-SNVBAGLBSA-N 1 0 177.247 1.772 50 0 in-vitro ADAARO COc1ccc([C@H](O)C[NH+](C)C)cc1 19784778 168258762 /nfs/dbraw/zinc/25/87/62/168258762.db2.gz UWKIAYYRGPTMIS-LLVKDONJSA-N 1 0 195.262 1.290 50 0 ADAARO COc1ccc([C@H](O)[C@@H](C)[NH3+])cc1 1707634 168258817 /nfs/dbraw/zinc/25/88/17/168258817.db2.gz OAUQWSYUJGFNKY-GMSGAONNSA-N 1 0 181.235 1.076 50 0 in-vitro ADAARO COc1ccc([C@H]2COCC[NH2+]2)cc1 11803327 168258828 /nfs/dbraw/zinc/25/88/28/168258828.db2.gz BMCOYPKKBOYPHE-LLVKDONJSA-N 1 0 193.246 1.356 50 0 in-vitro ADAARO COc1ccc([C@H]2C[NH2+]CCO2)cc1 11803025 168258855 /nfs/dbraw/zinc/25/88/55/168258855.db2.gz PLULTGXHWIAVIR-LLVKDONJSA-N 1 0 193.246 1.356 50 0 in-vitro ADAARO COc1ccc([C@H](OC)[C@@H](C)[NH3+])cc1 39090533 168258947 /nfs/dbraw/zinc/25/89/47/168258947.db2.gz WHPCVJVNMYMZAG-LDYMZIIASA-N 1 0 195.262 1.730 50 0 in-vitro ADAARO COc1ccc([C@H]2CC[NH2+]2)cc1 42784326 168258984 /nfs/dbraw/zinc/25/89/84/168258984.db2.gz JGRQFXJWMOUDTP-SNVBAGLBSA-N 1 0 163.220 1.730 50 0 ADAARO COc1ccc([C@H](C)[NH3+])c(F)c1 2528612 168259007 /nfs/dbraw/zinc/25/90/07/168259007.db2.gz WZMIJZHSKHBAEZ-LURJTMIESA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1ccc([C@H](C)[NH3+])cc1OC 296164 168259071 /nfs/dbraw/zinc/25/90/71/168259071.db2.gz OEPFPKVWOOSTBV-ZETCQYMHSA-N 1 0 181.235 1.724 50 0 in-vitro ADAARO COc1ccc([C@H]2CCC[NH2+]2)cn1 6235272 168259134 /nfs/dbraw/zinc/25/91/34/168259134.db2.gz UPHRHXBEESDMCP-SECBINFHSA-N 1 0 178.235 1.515 50 0 in-vitro ADAARO COc1ccc([C@H]([NH3+])CCO)cc1 2387057 168259141 /nfs/dbraw/zinc/25/91/41/168259141.db2.gz WHWMCHUIUINGOD-SNVBAGLBSA-N 1 0 181.235 1.077 50 0 in-vitro ADAARO COc1ccc([C@H](C[NH3+])OC)cc1 14616904 168259199 /nfs/dbraw/zinc/25/91/99/168259199.db2.gz VQMILJNGYNHZHB-JTQLQIEISA-N 1 0 181.235 1.341 50 0 ADAARO COc1ccc([C@H](C)[NH3+])cc1F 2528613 168259272 /nfs/dbraw/zinc/25/92/72/168259272.db2.gz WGUPBBABCUKYCC-LURJTMIESA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1ccc([C@H]([NH3+])CF)cc1 20285888 168259327 /nfs/dbraw/zinc/25/93/27/168259327.db2.gz GNDIMHGDBHXPAB-SECBINFHSA-N 1 0 169.199 1.665 50 0 in-vitro ADAARO COc1ccc([C@H]([NH3+])[C@H](C)O)cc1 41201662 168259462 /nfs/dbraw/zinc/25/94/62/168259462.db2.gz ZBXPOHJSNYWSOE-OIBJUYFYSA-N 1 0 181.235 1.076 50 0 ADAARO COc1ccc([C@H]2CC[NH2+]C2)cn1 83272838 168259484 /nfs/dbraw/zinc/25/94/84/168259484.db2.gz HPLWSZAHTLRPGO-VIFPVBQESA-N 1 0 178.235 1.167 50 0 ADAARO COc1ccc([C@H]2CC[NH2+]C2)cc1F 49811481 168259490 /nfs/dbraw/zinc/25/94/90/168259490.db2.gz ZGMOAKSZDKNKTF-VIFPVBQESA-N 1 0 195.237 1.911 50 0 ADAARO COc1ccc([C@H](OC)[C@H](C)[NH3+])cc1 39090532 168259515 /nfs/dbraw/zinc/25/95/15/168259515.db2.gz WHPCVJVNMYMZAG-GZMMTYOYSA-N 1 0 195.262 1.730 50 0 in-vitro ADAARO COc1ccc([C@H]2CC[NH2+]C2)cc1 2529100 168259637 /nfs/dbraw/zinc/25/96/37/168259637.db2.gz UPSZBLIRYUFEOF-JTQLQIEISA-N 1 0 177.247 1.772 50 0 in-vitro ADAARO COc1ccc([C@H]2CC[NH2+]C2)nc1 75085787 168259656 /nfs/dbraw/zinc/25/96/56/168259656.db2.gz ZVVKWZNPQKQJOE-QMMMGPOBSA-N 1 0 178.235 1.167 50 0 ADAARO COc1ccc([C@H](C[NH3+])N(C)C)cc1 88604453 168259802 /nfs/dbraw/zinc/25/98/02/168259802.db2.gz DIFDGMFDUHMXCH-NSHDSACASA-N 1 0 194.278 1.257 50 0 in-vitro ADAARO COc1ccc([C@H](C)[NH3+])cn1 72225048 168259919 /nfs/dbraw/zinc/25/99/19/168259919.db2.gz QZCQDZMQHCBXQU-LURJTMIESA-N 1 0 152.197 1.110 50 0 ADAARO COc1ccc([C@H](C)C[NH3+])cc1 5357253 168259983 /nfs/dbraw/zinc/25/99/83/168259983.db2.gz LUOOSDUSUYCCFY-MRVPVSSYSA-N 1 0 165.236 1.757 50 0 ADAARO COc1ccc([C@H](O)[C@H](C)[NH3+])cc1 1707633 168260000 /nfs/dbraw/zinc/26/00/00/168260000.db2.gz OAUQWSYUJGFNKY-OIBJUYFYSA-N 1 0 181.235 1.076 50 0 in-vitro ADAARO COc1ccc([C@H](C)[NH3+])cc1 295627 168260029 /nfs/dbraw/zinc/26/00/29/168260029.db2.gz JTDGKQNNPKXKII-ZETCQYMHSA-N 1 0 151.209 1.715 50 0 in-vitro ADAARO COc1ccc([C@H]([NH3+])[C@@H](C)O)cc1 41201665 168260054 /nfs/dbraw/zinc/26/00/54/168260054.db2.gz ZBXPOHJSNYWSOE-GMSGAONNSA-N 1 0 181.235 1.076 50 0 ADAARO COc1ccc([C@H](C)[NH3+])c(OC)c1 3705572 168260132 /nfs/dbraw/zinc/26/01/32/168260132.db2.gz WZDFPSLDFRVYEU-ZETCQYMHSA-N 1 0 181.235 1.724 50 0 in-vitro ADAARO COc1ccc([C@H]([NH3+])C2CC2)nc1 255189086 168260154 /nfs/dbraw/zinc/26/01/54/168260154.db2.gz NOUSTBMLHXRSFO-SNVBAGLBSA-N 1 0 178.235 1.500 50 0 ADAARO COc1ccc([N+]2=NN(C)CC2)cc1 4823042 168260648 /nfs/dbraw/zinc/26/06/48/168260648.db2.gz BOKVBGOHVOAZRC-UHFFFAOYSA-N 1 0 192.242 1.652 50 0 ADAARO COc1ccc2c(c1)CC[C@H]([NH3+])C2 2038193 168261060 /nfs/dbraw/zinc/26/10/60/168261060.db2.gz WASIYUSITZITPW-JTQLQIEISA-N 1 0 177.247 1.511 50 0 in-vitro ADAARO COc1ccc2c(c1)C[NH2+]CCO2 49453803 168261119 /nfs/dbraw/zinc/26/11/19/168261119.db2.gz GVRIYCPXRDOLRG-UHFFFAOYSA-N 1 0 179.219 1.177 50 0 in-vitro ADAARO COc1ccc2c(c1)C[C@@H](C[NH3+])CO2 34549768 168261151 /nfs/dbraw/zinc/26/11/51/168261151.db2.gz JGBSJXJRJGVXKO-QMMMGPOBSA-N 1 0 193.246 1.205 50 0 in-vitro ADAARO COc1ccc2c(c1)C[NH2+]CC2 3847316 168261181 /nfs/dbraw/zinc/26/11/81/168261181.db2.gz BPSLFSXCUJYFIR-UHFFFAOYSA-N 1 0 163.220 1.341 50 0 in-vitro ADAARO COc1ccc2c(c1)CC[NH2+][C@H]2C 11598192 168261209 /nfs/dbraw/zinc/26/12/09/168261209.db2.gz FSCCJTKQQGRDAT-QMMMGPOBSA-N 1 0 177.247 1.902 50 0 ADAARO COc1ccc2c(c1)C[C@@H]([NH3+])CS2 2599308 168261238 /nfs/dbraw/zinc/26/12/38/168261238.db2.gz JWKGMNODNVRFFQ-MRVPVSSYSA-N 1 0 195.287 1.671 50 0 in-vitro ADAARO COc1ccc2c(c1)CC[NH+]=C2 21301066 168261278 /nfs/dbraw/zinc/26/12/78/168261278.db2.gz ROFKDDMFBSDICG-UHFFFAOYSA-N 1 0 161.204 1.670 50 0 in-vitro ADAARO COc1ccc2c(c1)CC[C@H]2[NH3+] 27561063 168261313 /nfs/dbraw/zinc/26/13/13/168261313.db2.gz BIYHMCGHGLLTIN-SNVBAGLBSA-N 1 0 163.220 1.641 50 0 in-vitro ADAARO COc1ccc2c(c1)C[NH2+]CCS2 36448507 168261451 /nfs/dbraw/zinc/26/14/51/168261451.db2.gz VXSSDKLUAZVADY-UHFFFAOYSA-N 1 0 195.287 1.891 50 0 in-vitro ADAARO COc1ccc2c(c1)CC[C@@H]([NH3+])C2 2038192 168261461 /nfs/dbraw/zinc/26/14/61/168261461.db2.gz WASIYUSITZITPW-SNVBAGLBSA-N 1 0 177.247 1.511 50 0 in-vitro ADAARO COc1ccc2c(N)[nH+]ccc2c1 34579354 168261512 /nfs/dbraw/zinc/26/15/12/168261512.db2.gz CPHNYLVFPAMYLD-UHFFFAOYSA-N 1 0 174.203 1.826 50 0 in-vitro ADAARO COc1ccc2c(c1)C[NH2+][C@@H](C)C2 11597059 168261540 /nfs/dbraw/zinc/26/15/40/168261540.db2.gz MTFJZXPAJPDEAH-QMMMGPOBSA-N 1 0 177.247 1.729 50 0 ADAARO COc1ccc2c(c1)C[NH2+]C2 16698117 168261557 /nfs/dbraw/zinc/26/15/57/168261557.db2.gz BNBIUUBEQGUPJK-UHFFFAOYSA-N 1 0 149.193 1.298 50 0 in-vitro ADAARO COc1ccc2c(c1)CCC[NH2+]C2 39188952 168261613 /nfs/dbraw/zinc/26/16/13/168261613.db2.gz YFBDYBMSVIMNCQ-UHFFFAOYSA-N 1 0 177.247 1.731 50 0 ADAARO COc1ccc2c(c1)C[C@@H]([NH3+])C2 38876462 168261790 /nfs/dbraw/zinc/26/17/90/168261790.db2.gz HLXHCNWEVQNNKA-VIFPVBQESA-N 1 0 163.220 1.121 50 0 in-vitro ADAARO COc1ccc2c(c1)C1(CC1)C[NH2+]C2 71477263 168261876 /nfs/dbraw/zinc/26/18/76/168261876.db2.gz YZRYNJIQEPUEAY-UHFFFAOYSA-N 1 0 189.258 1.830 50 0 in-vitro ADAARO COc1ccc2c(c1)CC[C@H](C[NH3+])C2 34726443 168262017 /nfs/dbraw/zinc/26/20/17/168262017.db2.gz DIJOIFCZXLCKLZ-VIFPVBQESA-N 1 0 191.274 1.759 50 0 ADAARO COc1ccc2c(c1)CC[C@@H]2[NH3+] 27561061 168262105 /nfs/dbraw/zinc/26/21/05/168262105.db2.gz BIYHMCGHGLLTIN-JTQLQIEISA-N 1 0 163.220 1.641 50 0 in-vitro ADAARO COc1ccc2c(c1)C[C@@H]([NH3+])CC2 2567334 168262155 /nfs/dbraw/zinc/26/21/55/168262155.db2.gz ZNWNWWLWFCCREO-JTQLQIEISA-N 1 0 177.247 1.511 50 0 in-vitro ADAARO COc1ccc2c(c1)C[NH2+][C@H](C)C2 11597056 168262209 /nfs/dbraw/zinc/26/22/09/168262209.db2.gz MTFJZXPAJPDEAH-MRVPVSSYSA-N 1 0 177.247 1.729 50 0 ADAARO COc1ccc2c(c1)C[NH2+]CCC2 21989688 168262247 /nfs/dbraw/zinc/26/22/47/168262247.db2.gz JKOHVMHTUKORNK-UHFFFAOYSA-N 1 0 177.247 1.731 50 0 in-vitro ADAARO COc1ccc2c(c1)C[C@@H](C[NH3+])CC2 34726465 168262274 /nfs/dbraw/zinc/26/22/74/168262274.db2.gz GTSBCIABPJJRPB-VIFPVBQESA-N 1 0 191.274 1.759 50 0 ADAARO COc1ccc2c(c1)CC[C@@H]([NH3+])C2=O 39410636 168262393 /nfs/dbraw/zinc/26/23/93/168262393.db2.gz YVMVEWTZYMAQEG-SNVBAGLBSA-N 1 0 191.230 1.151 50 0 ADAARO COc1ccc2c(c1)CC[NH2+]CC2 20282379 168262397 /nfs/dbraw/zinc/26/23/97/168262397.db2.gz VWLWWBQMNIAARP-UHFFFAOYSA-N 1 0 177.247 1.383 50 0 in-vitro ADAARO COc1ccc2c(c1)CC[C@@H](C[NH3+])C2 34726446 168262482 /nfs/dbraw/zinc/26/24/82/168262482.db2.gz DIJOIFCZXLCKLZ-SECBINFHSA-N 1 0 191.274 1.759 50 0 ADAARO COc1ccc2c(N)cc[nH+]c2c1 32099437 168262500 /nfs/dbraw/zinc/26/25/00/168262500.db2.gz DZXVXEFSGHJKHI-UHFFFAOYSA-N 1 0 174.203 1.826 50 0 in-vitro ADAARO COc1ccc2c(c1)CC[NH2+][C@@H]2C 11598189 168262507 /nfs/dbraw/zinc/26/25/07/168262507.db2.gz FSCCJTKQQGRDAT-MRVPVSSYSA-N 1 0 177.247 1.902 50 0 ADAARO COc1ccc2c(c1)CC[NH2+]C2 4110972 168262514 /nfs/dbraw/zinc/26/25/14/168262514.db2.gz YYTAYINRPUJPNH-UHFFFAOYSA-N 1 0 163.220 1.341 50 0 biogenic,in-vitro ADAARO COc1ccc2c(c1)C[C@H]([NH3+])C2 38876460 168262614 /nfs/dbraw/zinc/26/26/14/168262614.db2.gz HLXHCNWEVQNNKA-SECBINFHSA-N 1 0 163.220 1.121 50 0 in-vitro ADAARO COc1ccc2c(c1)C[C@H](C[NH3+])CC2 34726466 168262648 /nfs/dbraw/zinc/26/26/48/168262648.db2.gz GTSBCIABPJJRPB-SECBINFHSA-N 1 0 191.274 1.759 50 0 ADAARO COc1ccc2c(c1)[C@@H](C)[NH2+]CC2 11598327 168262764 /nfs/dbraw/zinc/26/27/64/168262764.db2.gz VMIDQQQAEQXCDJ-MRVPVSSYSA-N 1 0 177.247 1.902 50 0 in-vitro ADAARO COc1ccc2c(c1)OCCC[C@H]2[NH3+] 62567726 168262857 /nfs/dbraw/zinc/26/28/57/168262857.db2.gz WHRYBYDGMPPEFP-SNVBAGLBSA-N 1 0 193.246 1.868 50 0 ADAARO COc1ccc2c(c1)OCC[NH2+]C2 20441564 168262912 /nfs/dbraw/zinc/26/29/12/168262912.db2.gz YCWLGZVKXHEITQ-UHFFFAOYSA-N 1 0 179.219 1.177 50 0 in-vitro ADAARO COc1ccc2c(c1)[C@@H](C)C[NH2+]CC2 28131111 168263152 /nfs/dbraw/zinc/26/31/52/168263152.db2.gz VCCXGIDBLWAVNF-VIFPVBQESA-N 1 0 191.274 1.944 50 0 ADAARO COc1ccc2c(c1)C[C@H](C[NH3+])CO2 34549767 168263224 /nfs/dbraw/zinc/26/32/24/168263224.db2.gz JGBSJXJRJGVXKO-MRVPVSSYSA-N 1 0 193.246 1.205 50 0 in-vitro ADAARO COc1ccc2c(c1)[C@@H]([NH3+])CCCO2 36926609 168263229 /nfs/dbraw/zinc/26/32/29/168263229.db2.gz ZJICGYVMTKPFKF-JTQLQIEISA-N 1 0 193.246 1.868 50 0 ADAARO COc1ccc2c(c1)[C@@H]([NH3+])CCN2 68575602 168263233 /nfs/dbraw/zinc/26/32/33/168263233.db2.gz LLBCBFNOFUVCAU-VIFPVBQESA-N 1 0 178.235 1.511 50 0 in-vitro ADAARO COc1ccc2c(c1)OCC[C@H]2[NH3+] 71373233 168263241 /nfs/dbraw/zinc/26/32/41/168263241.db2.gz RKCMZVXMWWKKAH-SECBINFHSA-N 1 0 179.219 1.478 50 0 in-vitro ADAARO COc1ccc2c(c1)[C@H](C)[NH2+]CCO2 84453772 168263260 /nfs/dbraw/zinc/26/32/60/168263260.db2.gz UXGJHCSYJTVFHX-QMMMGPOBSA-N 1 0 193.246 1.738 50 0 ADAARO COc1ccc2c(c1)OCC[C@@H]2[NH3+] 71373232 168263274 /nfs/dbraw/zinc/26/32/74/168263274.db2.gz RKCMZVXMWWKKAH-VIFPVBQESA-N 1 0 179.219 1.478 50 0 in-vitro ADAARO COc1ccc2c(c1)[C@H](C)C[NH2+]CC2 28131104 168263310 /nfs/dbraw/zinc/26/33/10/168263310.db2.gz VCCXGIDBLWAVNF-SECBINFHSA-N 1 0 191.274 1.944 50 0 ADAARO COc1ccc2c(c1)C[C@H]([NH3+])CS2 74243286 168263312 /nfs/dbraw/zinc/26/33/12/168263312.db2.gz JWKGMNODNVRFFQ-QMMMGPOBSA-N 1 0 195.287 1.671 50 0 in-vitro ADAARO COc1ccc2c(c1)[C@H](C)[NH2+]CC2 11598323 168263334 /nfs/dbraw/zinc/26/33/34/168263334.db2.gz VMIDQQQAEQXCDJ-QMMMGPOBSA-N 1 0 177.247 1.902 50 0 in-vitro ADAARO COc1ccc2c(c1)NCC[NH2+]C2 62566830 168263415 /nfs/dbraw/zinc/26/34/15/168263415.db2.gz WDHDVBWHILFHOW-UHFFFAOYSA-N 1 0 178.235 1.210 50 0 in-vitro ADAARO COc1ccc2c(c1)C[C@H]([NH3+])CC2 2567335 168263430 /nfs/dbraw/zinc/26/34/30/168263430.db2.gz ZNWNWWLWFCCREO-SNVBAGLBSA-N 1 0 177.247 1.511 50 0 in-vitro ADAARO COc1ccc2c(c1)OCCC[C@@H]2[NH3+] 62567724 168263467 /nfs/dbraw/zinc/26/34/67/168263467.db2.gz WHRYBYDGMPPEFP-JTQLQIEISA-N 1 0 193.246 1.868 50 0 ADAARO COc1ccc2c(c1)[C@@H]([NH3+])CC2=O 52518719 168263470 /nfs/dbraw/zinc/26/34/70/168263470.db2.gz BSVCBXUGLVHQLU-VIFPVBQESA-N 1 0 177.203 1.281 50 0 ADAARO COc1ccc2c(c1)SC[C@@H]([NH3+])C2 82908081 168263486 /nfs/dbraw/zinc/26/34/86/168263486.db2.gz WLXOSEFPIYSSLA-QMMMGPOBSA-N 1 0 195.287 1.671 50 0 in-vitro ADAARO COc1ccc2c(c1)[C@@H](C)[NH2+]CCO2 84453769 168263585 /nfs/dbraw/zinc/26/35/85/168263585.db2.gz UXGJHCSYJTVFHX-MRVPVSSYSA-N 1 0 193.246 1.738 50 0 ADAARO COc1ccc2c(c1)[C@@H]([NH3+])CCO2 11849025 168263624 /nfs/dbraw/zinc/26/36/24/168263624.db2.gz APTWFKUWDZQXHL-VIFPVBQESA-N 1 0 179.219 1.478 50 0 in-vitro ADAARO COc1ccc2c(c1)SC[C@H]([NH3+])C2 2599309 168263985 /nfs/dbraw/zinc/26/39/85/168263985.db2.gz WLXOSEFPIYSSLA-MRVPVSSYSA-N 1 0 195.287 1.671 50 0 in-vitro ADAARO COc1ccc2c(c1)[C@@H]([NH3+])CC2 2539952 168264007 /nfs/dbraw/zinc/26/40/07/168264007.db2.gz VYGIPIBKCOYHFK-JTQLQIEISA-N 1 0 163.220 1.641 50 0 in-vitro ADAARO COc1ccc2c(c1)nc(C[NH3+])n2C 11568672 168264199 /nfs/dbraw/zinc/26/41/99/168264199.db2.gz GQGUVFRJNFDXFI-UHFFFAOYSA-N 1 0 191.234 1.041 50 0 in-vitro ADAARO COc1ccc2c(c1)[C@H]([NH3+])CC2 8699606 168264393 /nfs/dbraw/zinc/26/43/93/168264393.db2.gz VYGIPIBKCOYHFK-SNVBAGLBSA-N 1 0 163.220 1.641 50 0 in-vitro ADAARO COc1ccc2c(c1)[C@H]([NH3+])CC2=O 52518718 168264608 /nfs/dbraw/zinc/26/46/08/168264608.db2.gz BSVCBXUGLVHQLU-SECBINFHSA-N 1 0 177.203 1.281 50 0 ADAARO COc1ccc2c(c1OC)C[NH2+]CC2 6018937 168264627 /nfs/dbraw/zinc/26/46/27/168264627.db2.gz MDRWFICNTMXXQK-UHFFFAOYSA-N 1 0 193.246 1.350 50 0 in-vitro ADAARO COc1ccc2c(ccn2CC[NH3+])c1 32500127 168264707 /nfs/dbraw/zinc/26/47/07/168264707.db2.gz KTHZVNMUARCVQZ-UHFFFAOYSA-N 1 0 190.246 1.609 50 0 ADAARO COc1ccc2c(c1)[C@H]([NH3+])CCN2 68575598 168264895 /nfs/dbraw/zinc/26/48/95/168264895.db2.gz LLBCBFNOFUVCAU-SECBINFHSA-N 1 0 178.235 1.511 50 0 in-vitro ADAARO COc1ccc2c(c1)[nH+]c(N)n2C 13208866 168264942 /nfs/dbraw/zinc/26/49/42/168264942.db2.gz BTSAWSKQHDFYIU-UHFFFAOYSA-N 1 0 177.207 1.164 50 0 ADAARO COc1ccc2c(ccc(C)[n+]2C)c1 281375 168265049 /nfs/dbraw/zinc/26/50/49/168265049.db2.gz BLOHOEWVYJICHA-UHFFFAOYSA-N 1 0 188.250 1.981 50 0 ADAARO COc1ccc2c(c1OC)CC[C@H]2[NH3+] 3812800 168265186 /nfs/dbraw/zinc/26/51/86/168265186.db2.gz ICXCASJKIQAMSF-SECBINFHSA-N 1 0 193.246 1.650 50 0 ADAARO COc1ccc2c(c1)[C@H]([NH3+])CCCO2 36926608 168265199 /nfs/dbraw/zinc/26/51/99/168265199.db2.gz ZJICGYVMTKPFKF-SNVBAGLBSA-N 1 0 193.246 1.868 50 0 ADAARO COc1ccc2c(c1OC)CC[NH2+]C2 5734003 168265382 /nfs/dbraw/zinc/26/53/82/168265382.db2.gz KRSWPODJYNXIJP-UHFFFAOYSA-N 1 0 193.246 1.350 50 0 in-vitro ADAARO COc1ccc2c(ccc[n+]2C)c1 270660 168265423 /nfs/dbraw/zinc/26/54/23/168265423.db2.gz BSESTDRCWOIFNQ-UHFFFAOYSA-N 1 0 174.223 1.673 50 0 ADAARO COc1ccc2c(c1O)CC[NH2+]C2 107338529 168265431 /nfs/dbraw/zinc/26/54/31/168265431.db2.gz OKNLTAIWFAQUCQ-UHFFFAOYSA-N 1 0 179.219 1.047 50 0 ADAARO COc1ccc2c(c1)[C@H]([NH3+])CCO2 11849024 168265455 /nfs/dbraw/zinc/26/54/55/168265455.db2.gz APTWFKUWDZQXHL-SECBINFHSA-N 1 0 179.219 1.478 50 0 in-vitro ADAARO COc1ccc2c(c1OC)CC[C@@H]2[NH3+] 4634376 168265567 /nfs/dbraw/zinc/26/55/67/168265567.db2.gz ICXCASJKIQAMSF-VIFPVBQESA-N 1 0 193.246 1.650 50 0 ADAARO COc1ccc2c(c1F)C[NH2+]C2 95803712 168265574 /nfs/dbraw/zinc/26/55/74/168265574.db2.gz BKQNHBCTNHZNFY-UHFFFAOYSA-N 1 0 167.183 1.438 50 0 in-vitro ADAARO COc1cccc(-n2cc[nH+]c2N)c1 98213826 168266478 /nfs/dbraw/zinc/26/64/78/168266478.db2.gz TZBVVVNSQMBMLE-UHFFFAOYSA-N 1 0 189.218 1.463 50 0 ADAARO COc1ccc2[nH]c(C[NH3+])nc2c1 19088674 168266588 /nfs/dbraw/zinc/26/65/88/168266588.db2.gz FVXQBRISRBHAAL-UHFFFAOYSA-N 1 0 177.207 1.030 50 0 ADAARO COc1ccc2[nH+]ccc(N)c2c1 1718246 168266672 /nfs/dbraw/zinc/26/66/72/168266672.db2.gz PHGNGVYUHOARGF-UHFFFAOYSA-N 1 0 174.203 1.826 50 0 in-vitro ADAARO COc1cccc(-c2c[nH]c(N)[nH+]2)c1 19091532 168266951 /nfs/dbraw/zinc/26/69/51/168266951.db2.gz STJWZSDDFZMYNC-UHFFFAOYSA-N 1 0 189.218 1.668 50 0 in-vitro ADAARO COc1ccc2cc[nH+]cc2c1N 337063 168267001 /nfs/dbraw/zinc/26/70/01/168267001.db2.gz YMYXYGWPFNZEET-UHFFFAOYSA-N 1 0 174.203 1.826 50 0 ADAARO COc1ccc2nc(C[NH3+])sc2c1 31894565 168267019 /nfs/dbraw/zinc/26/70/19/168267019.db2.gz SECWFYLMUGUXLS-UHFFFAOYSA-N 1 0 194.259 1.764 50 0 ADAARO COc1cccc(C(C)(C)C[NH3+])n1 95761235 168267292 /nfs/dbraw/zinc/26/72/92/168267292.db2.gz WLIBONCUXDNHES-UHFFFAOYSA-N 1 0 180.251 1.327 50 0 ADAARO COc1cccc(CC2(C[NH3+])CC2)c1 71505840 168267347 /nfs/dbraw/zinc/26/73/47/168267347.db2.gz MTTVUPZXRMXLLI-UHFFFAOYSA-N 1 0 191.274 1.977 50 0 ADAARO COc1cccc(C2(C[NH3+])CC2)n1 83272846 168267375 /nfs/dbraw/zinc/26/73/75/168267375.db2.gz TYXDKUPETPVOHV-UHFFFAOYSA-N 1 0 178.235 1.081 50 0 ADAARO COc1cccc(CC(N)=[NH2+])c1 1442735 168267402 /nfs/dbraw/zinc/26/74/02/168267402.db2.gz MAJPASBCPDHGFY-UHFFFAOYSA-N 1 0 164.208 1.174 50 0 ADAARO COc1cccc(C(C)(C)C[NH3+])c1 20357673 168267499 /nfs/dbraw/zinc/26/74/99/168267499.db2.gz LEQBGWPHAHMWCW-UHFFFAOYSA-N 1 0 179.263 1.932 50 0 in-vitro ADAARO COc1cccc(C2([NH3+])CC2)n1 66054558 168267660 /nfs/dbraw/zinc/26/76/60/168267660.db2.gz ZLKHFZIJLCDLJZ-UHFFFAOYSA-N 1 0 164.208 1.038 50 0 ADAARO COc1cccc(C2C[NH2+]C2)c1 44135316 168267750 /nfs/dbraw/zinc/26/77/50/168267750.db2.gz YJTDGRXXGYJQHZ-UHFFFAOYSA-N 1 0 163.220 1.382 50 0 in-vitro ADAARO COc1cccc(C2CC([NH3+])C2)c1 36840692 168267852 /nfs/dbraw/zinc/26/78/52/168267852.db2.gz QTNLQBOTFHWSGT-UHFFFAOYSA-N 1 0 177.247 1.900 50 0 ADAARO COc1cccc(C2(C[NH3+])CC2)c1 20357675 168268007 /nfs/dbraw/zinc/26/80/07/168268007.db2.gz QRPCUVXURVHTAI-UHFFFAOYSA-N 1 0 177.247 1.686 50 0 in-vitro ADAARO COc1cccc(CC2([NH3+])CC2)c1 16718883 168268130 /nfs/dbraw/zinc/26/81/30/168268130.db2.gz HAEZVLULMRQNKV-UHFFFAOYSA-N 1 0 177.247 1.729 50 0 ADAARO COc1cccc(CCCC[NH3+])c1 11596944 168268170 /nfs/dbraw/zinc/26/81/70/168268170.db2.gz NEHQMKGFIODIOM-UHFFFAOYSA-N 1 0 179.263 1.977 50 0 ADAARO COc1cccc(CCC[NH3+])c1 4520796 168268223 /nfs/dbraw/zinc/26/82/23/168268223.db2.gz CMIXSQAFEPGHMA-UHFFFAOYSA-N 1 0 165.236 1.587 50 0 biogenic,in-vitro ADAARO COc1cccc(C(C)(C)[NH3+])c1 19091403 168268378 /nfs/dbraw/zinc/26/83/78/168268378.db2.gz XJRLZIBKKHJOHI-UHFFFAOYSA-N 1 0 165.236 1.889 50 0 in-vitro ADAARO COc1cccc(C2([NH3+])CC2)c1 33487138 168268443 /nfs/dbraw/zinc/26/84/43/168268443.db2.gz QOUFBHVWPGAWAG-UHFFFAOYSA-N 1 0 163.220 1.643 50 0 in-vitro ADAARO COc1cccc(CC(C)(C)[NH3+])c1 16786930 168268489 /nfs/dbraw/zinc/26/84/89/168268489.db2.gz ADHRFCFPPSHSDD-UHFFFAOYSA-N 1 0 179.263 1.975 50 0 in-vitro ADAARO COc1cccc(C2=CC[NH2+]C2)c1 33638506 168268520 /nfs/dbraw/zinc/26/85/20/168268520.db2.gz SVSBWCXCRPFXRJ-UHFFFAOYSA-N 1 0 175.231 1.682 50 0 ADAARO COc1cccc(COC2C[NH2+]C2)c1 42770118 168268733 /nfs/dbraw/zinc/26/87/33/168268733.db2.gz IVCZMEAGZZPMRS-UHFFFAOYSA-N 1 0 193.246 1.184 50 0 ADAARO COc1cccc(N2CC[C@H]([NH3+])C2)c1 20441284 168269109 /nfs/dbraw/zinc/26/91/09/168269109.db2.gz IWKQMHWIHSGSQK-VIFPVBQESA-N 1 0 192.262 1.233 50 0 in-vitro ADAARO COc1cccc(C[NH2+]C2COC2)c1 76635736 168269124 /nfs/dbraw/zinc/26/91/24/168269124.db2.gz DUSACLYQDYZAJQ-UHFFFAOYSA-N 1 0 193.246 1.184 50 0 ADAARO COc1cccc(F)c1[C@@H](C)[NH3+] 19873123 168269154 /nfs/dbraw/zinc/26/91/54/168269154.db2.gz QGRDJSQLAIQQNL-ZCFIWIBFSA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1cccc(Cl)c1C[NH3+] 20469920 168269187 /nfs/dbraw/zinc/26/91/87/168269187.db2.gz FPHTZGYHHSPQAX-UHFFFAOYSA-N 1 0 171.627 1.807 50 0 in-vitro ADAARO COc1cccc(N2CC[C@@H]([NH3+])C2)c1 20441279 168269308 /nfs/dbraw/zinc/26/93/08/168269308.db2.gz IWKQMHWIHSGSQK-SECBINFHSA-N 1 0 192.262 1.233 50 0 in-vitro ADAARO COc1cccc(C[C@@H](C)[NH3+])c1 1604329 168269390 /nfs/dbraw/zinc/26/93/90/168269390.db2.gz VEJWNIYARKAHFI-MRVPVSSYSA-N 1 0 165.236 1.585 50 0 in-vivo ADAARO COc1cccc(C[C@H](C)[NH3+])c1 6021022 168269395 /nfs/dbraw/zinc/26/93/95/168269395.db2.gz VEJWNIYARKAHFI-QMMMGPOBSA-N 1 0 165.236 1.585 50 0 in-vivo ADAARO COc1cccc(C[NH3+])c1F 75844812 168269399 /nfs/dbraw/zinc/26/93/99/168269399.db2.gz QHYXUBYSAOZUJF-UHFFFAOYSA-N 1 0 155.172 1.293 50 0 in-vitro ADAARO COc1cccc(C[NH3+])c1OC 406937 168269404 /nfs/dbraw/zinc/26/94/04/168269404.db2.gz LVMPWFJVYMXSNY-UHFFFAOYSA-N 1 0 167.208 1.163 50 0 in-vitro ADAARO COc1cccc(C[NH3+])c1Cl 40449076 168269423 /nfs/dbraw/zinc/26/94/23/168269423.db2.gz MDXBJSYXFVYKQP-UHFFFAOYSA-N 1 0 171.627 1.807 50 0 ADAARO COc1cccc(CN(C)C(N)=[NH2+])c1 19090454 168269450 /nfs/dbraw/zinc/26/94/50/168269450.db2.gz XPFLVBBXHILQOQ-UHFFFAOYSA-N 1 0 193.250 1.020 50 0 ADAARO COc1cccc(C[NH2+]C2CC2)c1 8494659 168269507 /nfs/dbraw/zinc/26/95/07/168269507.db2.gz NUPAMNLYORQZRV-UHFFFAOYSA-N 1 0 177.247 1.947 50 0 in-vitro ADAARO COc1cccc(C[NH+](C)C)c1 409317 168269523 /nfs/dbraw/zinc/26/95/23/168269523.db2.gz IENUHHADGQLQLU-UHFFFAOYSA-N 1 0 165.236 1.757 50 0 ADAARO COc1cccc(C[NH3+])c1 388378 168269622 /nfs/dbraw/zinc/26/96/22/168269622.db2.gz GRRIMVWABNHKBX-UHFFFAOYSA-N 1 0 137.182 1.154 50 0 in-vitro ADAARO COc1cccc(C[NH3+])c1OC(C)C 35413039 168269639 /nfs/dbraw/zinc/26/96/39/168269639.db2.gz HZTCCKASNFFBQK-UHFFFAOYSA-N 1 0 195.262 1.941 50 0 ADAARO COc1cccc(CC[NH3+])c1OC 2528179 168269645 /nfs/dbraw/zinc/26/96/45/168269645.db2.gz XKBUFTXNLBWTFP-UHFFFAOYSA-N 1 0 181.235 1.205 50 0 in-vitro ADAARO COc1cccc(C[C@@H]2CCC[NH2+]2)c1 3732313 168269648 /nfs/dbraw/zinc/26/96/48/168269648.db2.gz IYXHWZSBBUXBCD-NSHDSACASA-N 1 0 191.274 1.990 50 0 in-vitro ADAARO COc1cccc(C[C@H]2CCC[NH2+]2)c1 3732312 168269784 /nfs/dbraw/zinc/26/97/84/168269784.db2.gz IYXHWZSBBUXBCD-LLVKDONJSA-N 1 0 191.274 1.990 50 0 in-vitro ADAARO COc1cccc(C[C@@H]([NH3+])C2CC2)c1 38129404 168269822 /nfs/dbraw/zinc/26/98/22/168269822.db2.gz ZPKBWZXQODCLMX-GFCCVEGCSA-N 1 0 191.274 1.975 50 0 in-vitro ADAARO COc1cccc(CC[NH3+])c1 391187 168269865 /nfs/dbraw/zinc/26/98/65/168269865.db2.gz WJBMRZAHTUFBGE-UHFFFAOYSA-N 1 0 151.209 1.196 50 0 in-vitro ADAARO COc1cccc(CSCC[NH3+])c1 19475697 168269883 /nfs/dbraw/zinc/26/98/83/168269883.db2.gz BMTHBKFDNSAUAN-UHFFFAOYSA-N 1 0 197.303 1.887 50 0 ADAARO COc1cccc(F)c1C[NH3+] 8698354 168269909 /nfs/dbraw/zinc/26/99/09/168269909.db2.gz JCXMQSDLDAJYMF-UHFFFAOYSA-N 1 0 155.172 1.293 50 0 in-vitro ADAARO COc1cccc(C[C@H]([NH3+])C2CC2)c1 38129403 168269917 /nfs/dbraw/zinc/26/99/17/168269917.db2.gz ZPKBWZXQODCLMX-LBPRGKRZSA-N 1 0 191.274 1.975 50 0 in-vitro ADAARO COc1cccc(C[NH3+])c1C 83339545 168270038 /nfs/dbraw/zinc/27/00/38/168270038.db2.gz FBBJLSZDPHZRPZ-UHFFFAOYSA-N 1 0 151.209 1.462 50 0 in-vitro ADAARO COc1cccc(F)c1[C@H](C)[NH3+] 19873124 168270048 /nfs/dbraw/zinc/27/00/48/168270048.db2.gz QGRDJSQLAIQQNL-LURJTMIESA-N 1 0 169.199 1.854 50 0 in-vitro ADAARO COc1cccc(COCC[NH3+])c1 19504326 168270166 /nfs/dbraw/zinc/27/01/66/168270166.db2.gz RUZBTMBEPGSJGV-UHFFFAOYSA-N 1 0 181.235 1.171 50 0 in-vitro ADAARO COc1cccc(OCCC[NH3+])c1 4997824 168270392 /nfs/dbraw/zinc/27/03/92/168270392.db2.gz KZLHWRUQUSVISJ-UHFFFAOYSA-N 1 0 181.235 1.423 50 0 in-vitro ADAARO COc1cccc([C@@H](O)[C@@H](C)[NH3+])c1 20216896 168270528 /nfs/dbraw/zinc/27/05/28/168270528.db2.gz HOJIHHPPMQUYQV-XCBNKYQSSA-N 1 0 181.235 1.076 50 0 ADAARO COc1cccc(N[C@H]2CC[NH2+]C2)c1 4245541 168270529 /nfs/dbraw/zinc/27/05/29/168270529.db2.gz RRDUJBANMNTWGQ-JTQLQIEISA-N 1 0 192.262 1.469 50 0 ADAARO COc1cccc(OC)c1[C@H](C)[NH3+] 34256852 168270543 /nfs/dbraw/zinc/27/05/43/168270543.db2.gz LXTFHNHLQMVBTK-ZETCQYMHSA-N 1 0 181.235 1.724 50 0 ADAARO COc1cccc([C@@H]2CC[NH2+]2)c1 15635660 168270574 /nfs/dbraw/zinc/27/05/74/168270574.db2.gz LGWREHODVFMFSH-JTQLQIEISA-N 1 0 163.220 1.730 50 0 in-vitro ADAARO COc1cccc([C@@H](C)C[NH3+])c1 3635692 168270630 /nfs/dbraw/zinc/27/06/30/168270630.db2.gz DUTAQBNSDZCPND-QMMMGPOBSA-N 1 0 165.236 1.757 50 0 ADAARO COc1cccc(OC)c1OCC[NH3+] 1567710 168270681 /nfs/dbraw/zinc/27/06/81/168270681.db2.gz BDOKKFIYLQAJOF-UHFFFAOYSA-N 1 0 197.234 1.041 50 0 ADAARO COc1cccc(OCC[NH3+])c1 2597400 168270702 /nfs/dbraw/zinc/27/07/02/168270702.db2.gz MWOLPDQWBBJNJU-UHFFFAOYSA-N 1 0 167.208 1.033 50 0 in-vitro ADAARO COc1cccc(OC)c1C[C@@H](C)[NH3+] 6036785 168270749 /nfs/dbraw/zinc/27/07/49/168270749.db2.gz OHGNLLDQBKOWJW-MRVPVSSYSA-N 1 0 195.262 1.594 50 0 in-vitro ADAARO COc1cccc(O[C@@H]2CC[NH2+]C2)c1 14632182 168270760 /nfs/dbraw/zinc/27/07/60/168270760.db2.gz XEJBWNVKUCYHJV-LLVKDONJSA-N 1 0 193.246 1.436 50 0 in-vitro ADAARO COc1cccc(OC)c1C[NH3+] 167032 168270831 /nfs/dbraw/zinc/27/08/31/168270831.db2.gz XEKGMBAKVJAVAZ-UHFFFAOYSA-N 1 0 167.208 1.163 50 0 in-vitro ADAARO COc1cccc([C@@H](C[NH3+])OC)c1 3615529 168270835 /nfs/dbraw/zinc/27/08/35/168270835.db2.gz FPWLTKFZPJGKSX-SNVBAGLBSA-N 1 0 181.235 1.341 50 0 ADAARO COc1cccc(OC2C[NH2+]C2)c1 19091810 168270909 /nfs/dbraw/zinc/27/09/09/168270909.db2.gz QRHBRUDGTZWRJB-UHFFFAOYSA-N 1 0 179.219 1.046 50 0 in-vitro ADAARO COc1cccc(O[C@@H](C)C[NH3+])c1 11946112 168270961 /nfs/dbraw/zinc/27/09/61/168270961.db2.gz LFNKWOWDZXYENJ-QMMMGPOBSA-N 1 0 181.235 1.421 50 0 in-vitro ADAARO COc1cccc([C@@H](O)[C@H](C)[NH3+])c1 20216898 168271037 /nfs/dbraw/zinc/27/10/37/168271037.db2.gz HOJIHHPPMQUYQV-XVKPBYJWSA-N 1 0 181.235 1.076 50 0 ADAARO COc1cccc(N[C@@H]2CC[NH2+]C2)c1 4245540 168271208 /nfs/dbraw/zinc/27/12/08/168271208.db2.gz RRDUJBANMNTWGQ-SNVBAGLBSA-N 1 0 192.262 1.469 50 0 ADAARO COc1cccc([C@@H]([NH3+])CCO)c1 19784044 168271318 /nfs/dbraw/zinc/27/13/18/168271318.db2.gz LZAZWHZPRDEQQK-JTQLQIEISA-N 1 0 181.235 1.077 50 0 ADAARO COc1cccc(OCCCC[NH3+])c1 19387819 168271356 /nfs/dbraw/zinc/27/13/56/168271356.db2.gz FNMPVAFQWXKLLC-UHFFFAOYSA-N 1 0 195.262 1.813 50 0 ADAARO COc1cccc([C@@H](C)[NH3+])c1F 39952094 168271419 /nfs/dbraw/zinc/27/14/19/168271419.db2.gz KACDKCFGMFKABP-ZCFIWIBFSA-N 1 0 169.199 1.854 50 0 ADAARO COc1cccc(OC)c1[C@@H](C)[NH3+] 34256854 168271478 /nfs/dbraw/zinc/27/14/78/168271478.db2.gz LXTFHNHLQMVBTK-SSDOTTSWSA-N 1 0 181.235 1.724 50 0 ADAARO COc1cccc(OCC(N)=[NH2+])c1 4384375 168271534 /nfs/dbraw/zinc/27/15/34/168271534.db2.gz XGMBNYJZJKRHOQ-UHFFFAOYSA-N 1 0 180.207 1.010 50 0 in-vitro ADAARO COc1cccc(O[C@H](C)C[NH3+])c1 11946119 168271554 /nfs/dbraw/zinc/27/15/54/168271554.db2.gz LFNKWOWDZXYENJ-MRVPVSSYSA-N 1 0 181.235 1.421 50 0 in-vitro ADAARO COc1cccc([C@@H](C)[NH3+])c1 2567337 168271559 /nfs/dbraw/zinc/27/15/59/168271559.db2.gz CJWGCBRQAHCVHW-SSDOTTSWSA-N 1 0 151.209 1.715 50 0 in-vitro ADAARO COc1cccc(OC)c1C[C@H](C)[NH3+] 6020964 168271589 /nfs/dbraw/zinc/27/15/89/168271589.db2.gz OHGNLLDQBKOWJW-QMMMGPOBSA-N 1 0 195.262 1.594 50 0 in-vitro ADAARO COc1cccc([C@@H]2CC[NH2+]C2)c1 2509813 168271608 /nfs/dbraw/zinc/27/16/08/168271608.db2.gz MDZWFRVPKYMLPL-SNVBAGLBSA-N 1 0 177.247 1.772 50 0 in-vitro ADAARO COc1cccc([C@@H](C[NH3+])N(C)C)c1 19735777 168271708 /nfs/dbraw/zinc/27/17/08/168271708.db2.gz ZTMHUNSEVFJKER-LLVKDONJSA-N 1 0 194.278 1.257 50 0 in-vitro ADAARO COc1cccc(O[C@H]2CC[NH2+]C2)c1 14632183 168271750 /nfs/dbraw/zinc/27/17/50/168271750.db2.gz XEJBWNVKUCYHJV-NSHDSACASA-N 1 0 193.246 1.436 50 0 ADAARO COc1cccc([C@@]2(C)CC[NH2+]C2)c1 51955261 168271989 /nfs/dbraw/zinc/27/19/89/168271989.db2.gz FRUJQSYHJKSUMV-LBPRGKRZSA-N 1 0 191.274 1.946 50 0 ADAARO COc1cccc([C@H](C[NH3+])OC)c1 3615531 168272028 /nfs/dbraw/zinc/27/20/28/168272028.db2.gz FPWLTKFZPJGKSX-JTQLQIEISA-N 1 0 181.235 1.341 50 0 ADAARO COc1cccc([C@H](C[NH3+])N(C)C)c1 19735778 168272092 /nfs/dbraw/zinc/27/20/92/168272092.db2.gz ZTMHUNSEVFJKER-NSHDSACASA-N 1 0 194.278 1.257 50 0 in-vitro ADAARO COc1cccc([C@@H]2C[C@H]2[NH3+])c1 32006191 168272140 /nfs/dbraw/zinc/27/21/40/168272140.db2.gz DRLVWPIMRZBCNJ-VHSXEESVSA-N 1 0 163.220 1.510 50 0 ADAARO COc1cccc([C@H](C)[NH3+])c1 2567338 168272168 /nfs/dbraw/zinc/27/21/68/168272168.db2.gz CJWGCBRQAHCVHW-ZETCQYMHSA-N 1 0 151.209 1.715 50 0 in-vitro ADAARO COc1cccc([C@H]2CC[NH2+]C2)c1 19785204 168272212 /nfs/dbraw/zinc/27/22/12/168272212.db2.gz MDZWFRVPKYMLPL-JTQLQIEISA-N 1 0 177.247 1.772 50 0 in-vitro ADAARO COc1cccc([C@H]2CC[NH2+]2)c1 15635662 168272229 /nfs/dbraw/zinc/27/22/29/168272229.db2.gz LGWREHODVFMFSH-SNVBAGLBSA-N 1 0 163.220 1.730 50 0 in-vitro ADAARO COc1cccc2[nH]cc(C(N)=[NH2+])c12 14807518 168272280 /nfs/dbraw/zinc/27/22/80/168272280.db2.gz XRCWEUDBIBFWFU-UHFFFAOYSA-N 1 0 189.218 1.461 50 0 ADAARO COc1cccc([C@H](O)[C@H](C)[NH3+])c1 20216899 168272286 /nfs/dbraw/zinc/27/22/86/168272286.db2.gz HOJIHHPPMQUYQV-OIBJUYFYSA-N 1 0 181.235 1.076 50 0 ADAARO COc1cccc([C@H](C)C[NH3+])c1 3635693 168272596 /nfs/dbraw/zinc/27/25/96/168272596.db2.gz DUTAQBNSDZCPND-MRVPVSSYSA-N 1 0 165.236 1.757 50 0 ADAARO COc1cccc([C@H]2C[C@H](O)C[NH2+]2)c1 69970845 168272603 /nfs/dbraw/zinc/27/26/03/168272603.db2.gz HETQUNFAIBRTRW-GXSJLCMTSA-N 1 0 193.246 1.091 50 0 in-vitro ADAARO COc1cccc([C@H](O)[C@@H](C)[NH3+])c1 20216897 168272621 /nfs/dbraw/zinc/27/26/21/168272621.db2.gz HOJIHHPPMQUYQV-GMSGAONNSA-N 1 0 181.235 1.076 50 0 ADAARO COc1cccc([C@H]2C[NH2+]CCO2)c1 11803023 168272629 /nfs/dbraw/zinc/27/26/29/168272629.db2.gz NTLJFWAWNVWBLY-LLVKDONJSA-N 1 0 193.246 1.356 50 0 in-vitro ADAARO COc1cccc([C@H]([NH3+])CCO)c1 2530236 168272641 /nfs/dbraw/zinc/27/26/41/168272641.db2.gz LZAZWHZPRDEQQK-SNVBAGLBSA-N 1 0 181.235 1.077 50 0 ADAARO COc1cccc([C@@H]2C[C@@H](O)C[NH2+]2)c1 69970850 168272644 /nfs/dbraw/zinc/27/26/44/168272644.db2.gz HETQUNFAIBRTRW-KOLCDFICSA-N 1 0 193.246 1.091 50 0 in-vitro ADAARO COc1cccc([C@H]2C[C@@H](O)C[NH2+]2)c1 69970853 168272756 /nfs/dbraw/zinc/27/27/56/168272756.db2.gz HETQUNFAIBRTRW-MWLCHTKSSA-N 1 0 193.246 1.091 50 0 in-vitro ADAARO COc1cccc2[nH]c(C[NH3+])nc12 108291495 168272798 /nfs/dbraw/zinc/27/27/98/168272798.db2.gz DRLVGRKJANAGGA-UHFFFAOYSA-N 1 0 177.207 1.030 50 0 ADAARO COc1cccc([C@@H]2C[C@H](O)C[NH2+]2)c1 69970841 168272848 /nfs/dbraw/zinc/27/28/48/168272848.db2.gz HETQUNFAIBRTRW-ONGXEEELSA-N 1 0 193.246 1.091 50 0 in-vitro ADAARO COc1cccc2[nH]cc(CC[NH3+])c12 5734222 168272916 /nfs/dbraw/zinc/27/29/16/168272916.db2.gz WMBARRJMPVVQEZ-UHFFFAOYSA-N 1 0 190.246 1.678 50 0 in-vitro ADAARO COc1cccc([C@@]2(F)CC[NH2+]C2)c1 107138432 168272959 /nfs/dbraw/zinc/27/29/59/168272959.db2.gz PXFUWKGVYGMBML-LLVKDONJSA-N 1 0 195.237 1.853 50 0 in-vitro ADAARO COc1cccc([C@@H]2C[C@H]2C[NH3+])c1 41199786 168272974 /nfs/dbraw/zinc/27/29/74/168272974.db2.gz AJKHCYJJCNCJBK-ONGXEEELSA-N 1 0 177.247 1.757 50 0 ADAARO COc1cccc([C@]2(C)CC[NH2+]C2)c1 51955262 168273004 /nfs/dbraw/zinc/27/30/04/168273004.db2.gz FRUJQSYHJKSUMV-GFCCVEGCSA-N 1 0 191.274 1.946 50 0 ADAARO COc1cccc([C@@H]2C[NH2+]CCO2)c1 11803021 168273021 /nfs/dbraw/zinc/27/30/21/168273021.db2.gz NTLJFWAWNVWBLY-NSHDSACASA-N 1 0 193.246 1.356 50 0 in-vitro ADAARO COc1cccc([C@]2(F)CC[NH2+]C2)c1 107138430 168273041 /nfs/dbraw/zinc/27/30/41/168273041.db2.gz PXFUWKGVYGMBML-NSHDSACASA-N 1 0 195.237 1.853 50 0 in-vitro ADAARO COc1cccc2c1C[C@H]([NH3+])CS2 34275094 168273488 /nfs/dbraw/zinc/27/34/88/168273488.db2.gz VORYRUKJTFFASM-ZETCQYMHSA-N 1 0 195.287 1.671 50 0 in-vitro ADAARO COc1cccc2c1C[C@@H]([NH3+])CC2 12650844 168273548 /nfs/dbraw/zinc/27/35/48/168273548.db2.gz RVKOHSCTEHZRRT-VIFPVBQESA-N 1 0 177.247 1.511 50 0 in-vivo ADAARO COc1cccc2c1OCC[NH2+]C2 20441477 168273672 /nfs/dbraw/zinc/27/36/72/168273672.db2.gz MMGSSGIIFHIFJD-UHFFFAOYSA-N 1 0 179.219 1.177 50 0 ADAARO COc1cccc2c1C[C@@H]([NH3+])C2 39274933 168273860 /nfs/dbraw/zinc/27/38/60/168273860.db2.gz NHXLOUDLYDYZQV-QMMMGPOBSA-N 1 0 163.220 1.121 50 0 in-vitro ADAARO COc1cccc2c1OCC[C@@H]2[NH3+] 16082973 168273877 /nfs/dbraw/zinc/27/38/77/168273877.db2.gz YPYXECSRHOYDPH-QMMMGPOBSA-N 1 0 179.219 1.478 50 0 in-vitro ADAARO COc1cccc2c1CC[C@H]([NH3+])C2 2567332 168273898 /nfs/dbraw/zinc/27/38/98/168273898.db2.gz SIHPGAYIYYGOIP-VIFPVBQESA-N 1 0 177.247 1.511 50 0 in-vitro ADAARO COc1cccc2c1C[NH2+]CCCO2 96032149 168273900 /nfs/dbraw/zinc/27/39/00/168273900.db2.gz GXESDRIPXMDANK-UHFFFAOYSA-N 1 0 193.246 1.567 50 0 ADAARO COc1cccc2c1CC[NH2+]CC2 34169964 168273982 /nfs/dbraw/zinc/27/39/82/168273982.db2.gz XLOJPRJMBDTXTC-UHFFFAOYSA-N 1 0 177.247 1.383 50 0 in-vitro ADAARO COc1cccc2c1CC[C@H]2[NH3+] 8699616 168274065 /nfs/dbraw/zinc/27/40/65/168274065.db2.gz JMXMRMSUOHVHOF-SECBINFHSA-N 1 0 163.220 1.641 50 0 in-vitro ADAARO COc1cccc2c1C[C@@H]([NH3+])CS2 2599310 168274075 /nfs/dbraw/zinc/27/40/75/168274075.db2.gz VORYRUKJTFFASM-SSDOTTSWSA-N 1 0 195.287 1.671 50 0 in-vitro ADAARO COc1cccc2c1OCCC[NH2+]C2 19093452 168274091 /nfs/dbraw/zinc/27/40/91/168274091.db2.gz HXTYUGLBGRVXSD-UHFFFAOYSA-N 1 0 193.246 1.567 50 0 in-vitro ADAARO COc1cccc2c(CC[NH3+])c[nH]c12 52443 168274154 /nfs/dbraw/zinc/27/41/54/168274154.db2.gz ZUJIGHUQQNOCAM-UHFFFAOYSA-N 1 0 190.246 1.678 50 0 in-vitro ADAARO COc1cccc2c1CC[NH2+]C2 19624589 168274178 /nfs/dbraw/zinc/27/41/78/168274178.db2.gz MCJYXDLWQYGCIQ-UHFFFAOYSA-N 1 0 163.220 1.341 50 0 ADAARO COc1cccc2c1CC[C@@H]2[NH3+] 8699615 168274248 /nfs/dbraw/zinc/27/42/48/168274248.db2.gz JMXMRMSUOHVHOF-VIFPVBQESA-N 1 0 163.220 1.641 50 0 in-vitro ADAARO COc1cccc2c1OCCC[C@H]2[NH3+] 36926615 168274281 /nfs/dbraw/zinc/27/42/81/168274281.db2.gz NBZAGWCABZXROR-SECBINFHSA-N 1 0 193.246 1.868 50 0 ADAARO COc1cccc2c1OCCC[C@@H]2[NH3+] 36926614 168274375 /nfs/dbraw/zinc/27/43/75/168274375.db2.gz NBZAGWCABZXROR-VIFPVBQESA-N 1 0 193.246 1.868 50 0 ADAARO COc1cccc2c1CC[C@@H]([NH3+])C2 2567333 168274449 /nfs/dbraw/zinc/27/44/49/168274449.db2.gz SIHPGAYIYYGOIP-SECBINFHSA-N 1 0 177.247 1.511 50 0 in-vitro ADAARO COc1cccc2c1OC[C@@H]2[NH3+] 8699635 168274503 /nfs/dbraw/zinc/27/45/03/168274503.db2.gz VXCOSBXVTCJRSD-ZETCQYMHSA-N 1 0 165.192 1.087 50 0 in-vitro ADAARO COc1cccc2c1C[NH2+]CC2 14724200 168274543 /nfs/dbraw/zinc/27/45/43/168274543.db2.gz VEYNNZSFJBDSPI-UHFFFAOYSA-N 1 0 163.220 1.341 50 0 in-vitro ADAARO COc1cccc2c1C[C@H]([NH3+])CC2 2567336 168274602 /nfs/dbraw/zinc/27/46/02/168274602.db2.gz RVKOHSCTEHZRRT-SECBINFHSA-N 1 0 177.247 1.511 50 0 in-vivo ADAARO COc1cccc2c1OCC[C@H]2[NH3+] 16082974 168274680 /nfs/dbraw/zinc/27/46/80/168274680.db2.gz YPYXECSRHOYDPH-MRVPVSSYSA-N 1 0 179.219 1.478 50 0 in-vitro ADAARO COc1cccc2c1C[NH2+]C2 34368318 168274696 /nfs/dbraw/zinc/27/46/96/168274696.db2.gz DCDSDKAYJZLMEX-UHFFFAOYSA-N 1 0 149.193 1.298 50 0 in-vitro ADAARO COc1cccc2c1C[C@H]([NH3+])C2 39274932 168274827 /nfs/dbraw/zinc/27/48/27/168274827.db2.gz NHXLOUDLYDYZQV-MRVPVSSYSA-N 1 0 163.220 1.121 50 0 in-vitro ADAARO COc1cccc2[nH+]c(N)n(C)c12 96300651 168275178 /nfs/dbraw/zinc/27/51/78/168275178.db2.gz XHZRZIOKIRLFQC-UHFFFAOYSA-N 1 0 177.207 1.164 50 0 ADAARO COc1cccc2c1[C@@H]([NH3+])CC2 39089536 168275337 /nfs/dbraw/zinc/27/53/37/168275337.db2.gz RWAJCHDFYSLZND-QMMMGPOBSA-N 1 0 163.220 1.641 50 0 ADAARO COc1cccc2[nH+]c(N)[nH]c12 95643266 168275709 /nfs/dbraw/zinc/27/57/09/168275709.db2.gz JXZONHOHNHEXOQ-UHFFFAOYSA-N 1 0 163.180 1.154 50 0 in-vitro ADAARO COc1cccc2c1[C@H]([NH3+])CC2 39089537 168275847 /nfs/dbraw/zinc/27/58/47/168275847.db2.gz RWAJCHDFYSLZND-MRVPVSSYSA-N 1 0 163.220 1.641 50 0 ADAARO COc1cccc2c1OC[C@H]2[NH3+] 8699636 168275942 /nfs/dbraw/zinc/27/59/42/168275942.db2.gz VXCOSBXVTCJRSD-SSDOTTSWSA-N 1 0 165.192 1.087 50 0 in-vitro ADAARO COc1cccc2cc(C[NH3+])oc12 26422721 168276240 /nfs/dbraw/zinc/27/62/40/168276240.db2.gz ZPDXFVTYOVORRW-UHFFFAOYSA-N 1 0 177.203 1.900 50 0 in-vitro ADAARO COc1cccc2c1ccn2CC[NH3+] 32500129 168276291 /nfs/dbraw/zinc/27/62/91/168276291.db2.gz SCKWKAXMRNEMJK-UHFFFAOYSA-N 1 0 190.246 1.609 50 0 biogenic ADAARO COc1ccccc1-n1cc[nH+]c1N 98213776 168277043 /nfs/dbraw/zinc/27/70/43/168277043.db2.gz JJNIPGDNIIRFIC-UHFFFAOYSA-N 1 0 189.218 1.463 50 0 ADAARO COc1ccccc1[C@@H]1C[NH2+]CCO1 11803017 168277264 /nfs/dbraw/zinc/27/72/64/168277264.db2.gz RPCKHOCCYPQVAF-NSHDSACASA-N 1 0 193.246 1.356 50 0 in-vitro ADAARO COc1ccccc1[C@H](C)C[NH3+] 6491806 168277433 /nfs/dbraw/zinc/27/74/33/168277433.db2.gz OSTZPSFPBMRGRP-MRVPVSSYSA-N 1 0 165.236 1.757 50 0 in-vitro ADAARO COc1ccccc1[C@H]1CC[NH2+]C1 19785203 168277485 /nfs/dbraw/zinc/27/74/85/168277485.db2.gz LDHSRVLRYZPWRD-VIFPVBQESA-N 1 0 177.247 1.772 50 0 in-vitro ADAARO COc1ccccc1[C@H]([NH3+])CCO 2530234 168277528 /nfs/dbraw/zinc/27/75/28/168277528.db2.gz KWPWDLVVJZLPSZ-SECBINFHSA-N 1 0 181.235 1.077 50 0 ADAARO COc1ccccc1[C@]1(C)C[C@@H]1[NH3+] 52126485 168277581 /nfs/dbraw/zinc/27/75/81/168277581.db2.gz OTZMWLQWDPPDFB-QWRGUYRKSA-N 1 0 177.247 1.684 50 0 in-vitro ADAARO COc1ccccc1[C@H](C)[NH3+] 389093 168277607 /nfs/dbraw/zinc/27/76/07/168277607.db2.gz VENQOHAPVLVQKV-ZETCQYMHSA-N 1 0 151.209 1.715 50 0 in-vitro ADAARO COc1cccnc1[C@@H]1CCC[NH2+]1 32914764 168277617 /nfs/dbraw/zinc/27/76/17/168277617.db2.gz DLIOSYADUIADBX-QMMMGPOBSA-N 1 0 178.235 1.515 50 0 ADAARO COc1ccccc1[C@@]1(C)C[C@H]1[NH3+] 52126486 168277690 /nfs/dbraw/zinc/27/76/90/168277690.db2.gz OTZMWLQWDPPDFB-GHMZBOCLSA-N 1 0 177.247 1.684 50 0 in-vitro ADAARO COc1cccnc1C1(C[NH3+])CC1 83272843 168277717 /nfs/dbraw/zinc/27/77/17/168277717.db2.gz OZKVCZGTRBNLMD-UHFFFAOYSA-N 1 0 178.235 1.081 50 0 ADAARO COc1cccnc1C(C)(C)C[NH3+] 98214105 168277872 /nfs/dbraw/zinc/27/78/72/168277872.db2.gz DHNGASHZUUKVAV-UHFFFAOYSA-N 1 0 180.251 1.327 50 0 ADAARO COc1ccccc1[C@H](C[NH3+])OC 43098985 168278018 /nfs/dbraw/zinc/27/80/18/168278018.db2.gz RVZYDOBAABDASN-JTQLQIEISA-N 1 0 181.235 1.341 50 0 ADAARO COc1ccccc1[C@@H]1C[C@H]1[NH3+] 32006182 168278161 /nfs/dbraw/zinc/27/81/61/168278161.db2.gz DHHVOLWFZZZOCA-DTWKUNHWSA-N 1 0 163.220 1.510 50 0 ADAARO COc1ccccc1[C@@]1(C)C[C@@H]1[NH3+] 52126484 168278214 /nfs/dbraw/zinc/27/82/14/168278214.db2.gz OTZMWLQWDPPDFB-WDEREUQCSA-N 1 0 177.247 1.684 50 0 in-vitro ADAARO COc1ccnc(C(C)(C)C[NH3+])c1 98214104 168278254 /nfs/dbraw/zinc/27/82/54/168278254.db2.gz FNXSMQDCDNEBSF-UHFFFAOYSA-N 1 0 180.251 1.327 50 0 ADAARO COc1ccccc1[C@H]1C[C@H]1[NH3+] 32006185 168278263 /nfs/dbraw/zinc/27/82/63/168278263.db2.gz DHHVOLWFZZZOCA-RKDXNWHRSA-N 1 0 163.220 1.510 50 0 ADAARO COc1cccnc1[C@H]1CCC[NH2+]1 32914765 168278304 /nfs/dbraw/zinc/27/83/04/168278304.db2.gz DLIOSYADUIADBX-MRVPVSSYSA-N 1 0 178.235 1.515 50 0 ADAARO COc1ccccc1[C@]1(C)C[C@H]1[NH3+] 52126487 168278308 /nfs/dbraw/zinc/27/83/08/168278308.db2.gz OTZMWLQWDPPDFB-MNOVXSKESA-N 1 0 177.247 1.684 50 0 in-vitro ADAARO COc1cccnc1[C@@H]([NH3+])C1CC1 104673342 168278343 /nfs/dbraw/zinc/27/83/43/168278343.db2.gz PGNJWQZHBBYHFC-VIFPVBQESA-N 1 0 178.235 1.500 50 0 ADAARO COc1ccccc1[C@H](C[NH3+])N(C)C 19361939 168278538 /nfs/dbraw/zinc/27/85/38/168278538.db2.gz ZRTQZYSQNJLSRJ-JTQLQIEISA-N 1 0 194.278 1.257 50 0 in-vitro ADAARO COc1ccccc1[C@H]1C[C@@H]1[NH3+] 32006179 168278594 /nfs/dbraw/zinc/27/85/94/168278594.db2.gz DHHVOLWFZZZOCA-BDAKNGLRSA-N 1 0 163.220 1.510 50 0 ADAARO COc1cccnc1[C@H]([NH3+])C1CC1 104517899 168278649 /nfs/dbraw/zinc/27/86/49/168278649.db2.gz PGNJWQZHBBYHFC-SECBINFHSA-N 1 0 178.235 1.500 50 0 ADAARO COc1ccnc(C2(C[NH3+])CC2)c1 83272845 168278819 /nfs/dbraw/zinc/27/88/19/168278819.db2.gz BLEKODWCEMGUFK-UHFFFAOYSA-N 1 0 178.235 1.081 50 0 ADAARO COc1ccccc1[C@H]1C[NH2+]CCO1 11803019 168278889 /nfs/dbraw/zinc/27/88/89/168278889.db2.gz RPCKHOCCYPQVAF-LLVKDONJSA-N 1 0 193.246 1.356 50 0 in-vitro ADAARO COc1ccnc([C@@H](C)[NH3+])c1 83268299 168279759 /nfs/dbraw/zinc/27/97/59/168279759.db2.gz BSYZGYVTKXXLSZ-ZCFIWIBFSA-N 1 0 152.197 1.110 50 0 ADAARO COc1ccnc([C@H](C)[NH3+])c1 83268298 168279898 /nfs/dbraw/zinc/27/98/98/168279898.db2.gz BSYZGYVTKXXLSZ-LURJTMIESA-N 1 0 152.197 1.110 50 0 ADAARO COc1c[nH+]cc2cc[nH]c12 89220875 168280953 /nfs/dbraw/zinc/28/09/53/168280953.db2.gz BOTAQFSSFRYBON-UHFFFAOYSA-N 1 0 148.165 1.572 50 0 ADAARO COc1cnccc1[C@@H](C)[NH3+] 96034487 168280997 /nfs/dbraw/zinc/28/09/97/168280997.db2.gz VHYWKJVISYBWPI-ZCFIWIBFSA-N 1 0 152.197 1.110 50 0 in-vitro ADAARO COc1c[nH+]cc2c1NCCC2 225520669 168281522 /nfs/dbraw/zinc/28/15/22/168281522.db2.gz IVWODABXNATWHJ-UHFFFAOYSA-N 1 0 164.208 1.448 50 0 ADAARO COc1cnccc1[C@H](C)[NH3+] 96034486 168281703 /nfs/dbraw/zinc/28/17/03/168281703.db2.gz VHYWKJVISYBWPI-LURJTMIESA-N 1 0 152.197 1.110 50 0 in-vitro ADAARO COc1nc(C)cc(C)c1C[NH3+] 19090873 168282495 /nfs/dbraw/zinc/28/24/95/168282495.db2.gz IYQYCWXGRNTWLA-UHFFFAOYSA-N 1 0 166.224 1.166 50 0 in-vitro ADAARO COc1cscc1C[NH3+] 84227902 168283266 /nfs/dbraw/zinc/28/32/66/168283266.db2.gz KBHAXFGOHJFPCS-UHFFFAOYSA-N 1 0 143.211 1.215 50 0 ADAARO COc1ncc(Cl)cc1C[NH3+] 95630933 168286199 /nfs/dbraw/zinc/28/61/99/168286199.db2.gz NEFLYASGTJSILV-UHFFFAOYSA-N 1 0 172.615 1.202 50 0 ADAARO COc1ncc(C[NH3+])cc1Cl 51523633 168287036 /nfs/dbraw/zinc/28/70/36/168287036.db2.gz LHRYKZSBGBYNPN-UHFFFAOYSA-N 1 0 172.615 1.202 50 0 ADAARO COc1ncccc1[C@@H]([NH3+])C1CC1 104665340 168288025 /nfs/dbraw/zinc/28/80/25/168288025.db2.gz AIQZCKHGUUXIQD-VIFPVBQESA-N 1 0 178.235 1.500 50 0 ADAARO COc1ncccc1[C@H]([NH3+])C1CC1 104527876 168288805 /nfs/dbraw/zinc/28/88/05/168288805.db2.gz AIQZCKHGUUXIQD-SECBINFHSA-N 1 0 178.235 1.500 50 0 ADAARO C[PH+](C)C 1846023 168289680 /nfs/dbraw/zinc/28/96/80/168289680.db2.gz YWWDBCBWQNCYNR-UHFFFAOYSA-N 1 0 76.079 1.358 50 0 in-vitro ADAARO CSC1(C[NH3+])CCC1 83484180 168296351 /nfs/dbraw/zinc/29/63/51/168296351.db2.gz BDTNHBMDTCXNFS-UHFFFAOYSA-N 1 0 131.244 1.231 50 0 in-vitro ADAARO CSC(=S)C[n+]1ccccc1 4886912 168296641 /nfs/dbraw/zinc/29/66/41/168296641.db2.gz BGOHVXFFSMMPOG-UHFFFAOYSA-N 1 0 184.309 1.665 50 0 ADAARO CSC(C)(C)C[NH3+] 71790834 168297255 /nfs/dbraw/zinc/29/72/55/168297255.db2.gz LWAXRLLIANZTNW-UHFFFAOYSA-N 1 0 119.233 1.087 50 0 in-vitro ADAARO CSC1=[NH+]CCCN1C 4086836 168297613 /nfs/dbraw/zinc/29/76/13/168297613.db2.gz IGFYRBDAPXOWPY-UHFFFAOYSA-N 1 0 144.243 1.041 50 0 ADAARO CSC1=[NH+]C(C)(C)C=C(C)N1 5497586 168297744 /nfs/dbraw/zinc/29/77/44/168297744.db2.gz XEECXGYFDOJDNN-UHFFFAOYSA-N 1 0 170.281 1.991 50 0 ADAARO CSC1C[C@@H]2CC[C@H](C1)[NH2+]2 95725438 168298240 /nfs/dbraw/zinc/29/82/40/168298240.db2.gz CDSOONQZLNZDOD-DHBOJHSNSA-N 1 0 157.282 1.632 50 0 ADAARO CSC1=[N+](C)CCS1 1712015 168298280 /nfs/dbraw/zinc/29/82/80/168298280.db2.gz WCFSTYPUDOFQTL-UHFFFAOYSA-N 1 0 148.276 1.095 50 0 ADAARO CSC1CC[NH2+]CC1 43501288 168298369 /nfs/dbraw/zinc/29/83/69/168298369.db2.gz WGFYICOOQBENDY-UHFFFAOYSA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO CSC1=[NH+][C@H]2CCCC[C@@H]2N1 124923 168298409 /nfs/dbraw/zinc/29/84/09/168298409.db2.gz FVJCNNOGUKBRLG-BQBZGAKWSA-N 1 0 170.281 1.620 50 0 ADAARO CSCC1CCC([NH3+])CC1 238851031 168298569 /nfs/dbraw/zinc/29/85/69/168298569.db2.gz DTQPLYIZDFXBGM-UHFFFAOYSA-N 1 0 159.298 1.867 50 0 ADAARO CSCC1CC[NH2+]CC1 43498246 168298788 /nfs/dbraw/zinc/29/87/88/168298788.db2.gz HNEFTEGGNGLDEM-UHFFFAOYSA-N 1 0 145.271 1.349 50 0 in-vitro ADAARO CSC1=[NH+][C@H]2CCCC[C@H]2N1 124921 168298962 /nfs/dbraw/zinc/29/89/62/168298962.db2.gz FVJCNNOGUKBRLG-KNVOCYPGSA-N 1 0 170.281 1.620 50 0 ADAARO CSCC(C)(C)[NH3+] 38855747 168299219 /nfs/dbraw/zinc/29/92/19/168299219.db2.gz YNOFOVLFZVOJQP-UHFFFAOYSA-N 1 0 119.233 1.087 50 0 ADAARO CSC1=[NH+][C@@H]2CCCC[C@H]2N1 124925 168299259 /nfs/dbraw/zinc/29/92/59/168299259.db2.gz FVJCNNOGUKBRLG-RNFRBKRXSA-N 1 0 170.281 1.620 50 0 ADAARO CSCCC1CC[NH2+]CC1 62951084 168300166 /nfs/dbraw/zinc/30/01/66/168300166.db2.gz SDXQMKXWJGGUFZ-UHFFFAOYSA-N 1 0 159.298 1.739 50 0 ADAARO CSCCCC[NH3+] 22063748 168300890 /nfs/dbraw/zinc/30/08/90/168300890.db2.gz DFOFJJHACXCMCO-UHFFFAOYSA-N 1 0 119.233 1.088 50 0 in-vitro ADAARO CSCCCCC[NH3+] 32182345 168301081 /nfs/dbraw/zinc/30/10/81/168301081.db2.gz DQIGNVFNKSQHQV-UHFFFAOYSA-N 1 0 133.260 1.478 50 0 in-vitro ADAARO CSCC[C@@H](C)[NH3+] 68575913 168301095 /nfs/dbraw/zinc/30/10/95/168301095.db2.gz FNVNAEIAPMSQRL-RXMQYKEDSA-N 1 0 119.233 1.087 50 0 in-vitro ADAARO CSCCCCCC[NH3+] 70019557 168301295 /nfs/dbraw/zinc/30/12/95/168301295.db2.gz HTQYVNNDNPYFCV-UHFFFAOYSA-N 1 0 147.287 1.869 50 0 ADAARO CSCCC[N@H+](C)CCN(C)C 22044986 168301302 /nfs/dbraw/zinc/30/13/02/168301302.db2.gz NKGMDZFPUOPHQU-UHFFFAOYSA-N 1 0 190.356 1.233 50 0 ADAARO CSC[C@@H]1CCC[NH2+]C1 43471792 168302292 /nfs/dbraw/zinc/30/22/92/168302292.db2.gz XFEURNJWWUGWNL-SSDOTTSWSA-N 1 0 145.271 1.349 50 0 in-vitro ADAARO CSCC[C@H](C)[NH3+] 68575907 168303004 /nfs/dbraw/zinc/30/30/04/168303004.db2.gz FNVNAEIAPMSQRL-YFKPBYRVSA-N 1 0 119.233 1.087 50 0 in-vitro ADAARO CSC[C@@H]1CCC[NH2+]1 2582567 168303158 /nfs/dbraw/zinc/30/31/58/168303158.db2.gz UAFBQROGXTXREC-LURJTMIESA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO CSCC[C@H]1CCCC[NH2+]1 43499653 168303460 /nfs/dbraw/zinc/30/34/60/168303460.db2.gz CVWNEHUFMJYXMJ-MRVPVSSYSA-N 1 0 159.298 1.882 50 0 ADAARO CSC[C@@H]1CCCC[NH2+]1 4234867 168303633 /nfs/dbraw/zinc/30/36/33/168303633.db2.gz NTOYFGGZHVMPOV-ZETCQYMHSA-N 1 0 145.271 1.492 50 0 in-vitro ADAARO CSCC[C@@H]1CCCC[NH2+]1 43499651 168303667 /nfs/dbraw/zinc/30/36/67/168303667.db2.gz CVWNEHUFMJYXMJ-QMMMGPOBSA-N 1 0 159.298 1.882 50 0 ADAARO CSC[C@H]1CCC[NH2+]C1 43471794 168304174 /nfs/dbraw/zinc/30/41/74/168304174.db2.gz XFEURNJWWUGWNL-ZETCQYMHSA-N 1 0 145.271 1.349 50 0 in-vitro ADAARO CSCc1nc(CC[NH3+])cs1 42383773 168304723 /nfs/dbraw/zinc/30/47/23/168304723.db2.gz ZWYSUROLPSKBEZ-UHFFFAOYSA-N 1 0 188.321 1.507 50 0 in-vitro ADAARO CSC[C@H]1CCC[NH2+]1 4234749 168304979 /nfs/dbraw/zinc/30/49/79/168304979.db2.gz UAFBQROGXTXREC-ZCFIWIBFSA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO CSCc1nc(C[NH3+])cs1 29866003 168305193 /nfs/dbraw/zinc/30/51/93/168305193.db2.gz XYCMJBJXBKYRON-UHFFFAOYSA-N 1 0 174.294 1.465 50 0 ADAARO CSC[C@H]1CCCC[NH2+]1 4234868 168305405 /nfs/dbraw/zinc/30/54/05/168305405.db2.gz NTOYFGGZHVMPOV-SSDOTTSWSA-N 1 0 145.271 1.492 50 0 in-vitro ADAARO CS[C@@H]1CCC[C@@H]1[NH3+] 6408292 168305722 /nfs/dbraw/zinc/30/57/22/168305722.db2.gz LYDDFFMJUBFRAW-NTSWFWBYSA-N 1 0 131.244 1.229 50 0 in-vitro ADAARO CS[C@@H]1CCC[NH2+]CC1 59164614 168306191 /nfs/dbraw/zinc/30/61/91/168306191.db2.gz AJGCARNEWLWAPY-SSDOTTSWSA-N 1 0 145.271 1.492 50 0 in-vitro ADAARO CS[C@@H]1CCCC[NH2+]C1 82164075 168306428 /nfs/dbraw/zinc/30/64/28/168306428.db2.gz PIXHJJIKSFFOEF-SSDOTTSWSA-N 1 0 145.271 1.492 50 0 in-vitro ADAARO CS[C@@H]1CCC[C@H]([NH3+])C1 68575458 168306454 /nfs/dbraw/zinc/30/64/54/168306454.db2.gz KVRGXUWSUFKSJS-NKWVEPMBSA-N 1 0 145.271 1.619 50 0 in-vitro ADAARO CS[C@@H]1CCC[C@H]1[NH3+] 4783607 168306506 /nfs/dbraw/zinc/30/65/06/168306506.db2.gz LYDDFFMJUBFRAW-PHDIDXHHSA-N 1 0 131.244 1.229 50 0 in-vitro ADAARO CS[C@@H](C)CC[NH3+] 38063982 168306765 /nfs/dbraw/zinc/30/67/65/168306765.db2.gz RWDNYBMVODCOAU-YFKPBYRVSA-N 1 0 119.233 1.087 50 0 in-vitro ADAARO CS[C@@H]1CCC[C@@H]([NH3+])C1 68575465 168306798 /nfs/dbraw/zinc/30/67/98/168306798.db2.gz KVRGXUWSUFKSJS-RNFRBKRXSA-N 1 0 145.271 1.619 50 0 in-vitro ADAARO CSC[n+]1cn(C)c2ccccc21 12341680 168306829 /nfs/dbraw/zinc/30/68/29/168306829.db2.gz HZHCWQJFRBLZOW-UHFFFAOYSA-N 1 0 193.295 1.786 50 0 ADAARO CS[C@H](C)CC[NH3+] 38063983 168307314 /nfs/dbraw/zinc/30/73/14/168307314.db2.gz RWDNYBMVODCOAU-RXMQYKEDSA-N 1 0 119.233 1.087 50 0 in-vitro ADAARO CS[C@H]1CC[N@@H+]([C@H]2CCOC2)C1 328600327 168307400 /nfs/dbraw/zinc/30/74/00/168307400.db2.gz WVQHVTNKCZXGFX-IUCAKERBSA-N 1 0 187.308 1.213 50 0 ADAARO CS[C@H]1CCCC[NH2+]C1 82164076 168307404 /nfs/dbraw/zinc/30/74/04/168307404.db2.gz PIXHJJIKSFFOEF-ZETCQYMHSA-N 1 0 145.271 1.492 50 0 in-vitro ADAARO CS[C@H]1CCC[C@H]([NH3+])C1 68575461 168307418 /nfs/dbraw/zinc/30/74/18/168307418.db2.gz KVRGXUWSUFKSJS-BQBZGAKWSA-N 1 0 145.271 1.619 50 0 in-vitro ADAARO CS[C@H]1CCC[C@@H]([NH3+])C1 68575467 168307421 /nfs/dbraw/zinc/30/74/21/168307421.db2.gz KVRGXUWSUFKSJS-RQJHMYQMSA-N 1 0 145.271 1.619 50 0 in-vitro ADAARO CS[C@H]1CC[C@H]([NH3+])C1 71790340 168307623 /nfs/dbraw/zinc/30/76/23/168307623.db2.gz FBFYUFDIAMDPMV-WDSKDSINSA-N 1 0 131.244 1.229 50 0 in-vitro ADAARO CS[C@@H]1CC[C@@H]([NH3+])C1 71790341 168307683 /nfs/dbraw/zinc/30/76/83/168307683.db2.gz FBFYUFDIAMDPMV-PHDIDXHHSA-N 1 0 131.244 1.229 50 0 in-vitro ADAARO CS[C@H]1CC[C@@H]([NH3+])C1 71790342 168307780 /nfs/dbraw/zinc/30/77/80/168307780.db2.gz FBFYUFDIAMDPMV-RITPCOANSA-N 1 0 131.244 1.229 50 0 in-vitro ADAARO CS[C@@H]1CC[N@@H+]([C@H]2CCOC2)C1 328600326 168307859 /nfs/dbraw/zinc/30/78/59/168307859.db2.gz WVQHVTNKCZXGFX-DTWKUNHWSA-N 1 0 187.308 1.213 50 0 ADAARO CS[C@H]1CCC[C@@H]1[NH3+] 1671012 168307940 /nfs/dbraw/zinc/30/79/40/168307940.db2.gz LYDDFFMJUBFRAW-WDSKDSINSA-N 1 0 131.244 1.229 50 0 in-vitro ADAARO CS[C@H]1CC[N@@H+]([C@@H]2CCOC2)C1 328600325 168307997 /nfs/dbraw/zinc/30/79/97/168307997.db2.gz WVQHVTNKCZXGFX-BDAKNGLRSA-N 1 0 187.308 1.213 50 0 ADAARO CS[C@H]1CCC[C@H]1[NH3+] 6408304 168308129 /nfs/dbraw/zinc/30/81/29/168308129.db2.gz LYDDFFMJUBFRAW-RITPCOANSA-N 1 0 131.244 1.229 50 0 in-vitro ADAARO CS[C@H]1CCC[NH2+]CC1 59164615 168308240 /nfs/dbraw/zinc/30/82/40/168308240.db2.gz AJGCARNEWLWAPY-ZETCQYMHSA-N 1 0 145.271 1.492 50 0 in-vitro ADAARO CS[C@@H]1CC[N@@H+]([C@@H]2CCOC2)C1 328600328 168308305 /nfs/dbraw/zinc/30/83/05/168308305.db2.gz WVQHVTNKCZXGFX-RKDXNWHRSA-N 1 0 187.308 1.213 50 0 ADAARO CS[C@@H]1CC[C@H]([NH3+])C1 71790339 168308342 /nfs/dbraw/zinc/30/83/42/168308342.db2.gz FBFYUFDIAMDPMV-NTSWFWBYSA-N 1 0 131.244 1.229 50 0 in-vitro ADAARO CS[C@H]1CCCC[C@@H]1[NH3+] 39283035 168308487 /nfs/dbraw/zinc/30/84/87/168308487.db2.gz FYQACJYFRNDZMT-BQBZGAKWSA-N 1 0 145.271 1.619 50 0 in-vitro ADAARO CSc1cc(C[NH3+])ccn1 38063919 168309509 /nfs/dbraw/zinc/30/95/09/168309509.db2.gz WUQAMFZTFZEJDD-UHFFFAOYSA-N 1 0 154.238 1.262 50 0 in-vitro ADAARO CSc1ccc([C@H]([NH3+])CCO)cc1 2535236 168310376 /nfs/dbraw/zinc/31/03/76/168310376.db2.gz WIEZZLQKWCUGIB-SNVBAGLBSA-N 1 0 197.303 1.791 50 0 ADAARO CSc1ccc(CC[NH3+])cc1 26515713 168310580 /nfs/dbraw/zinc/31/05/80/168310580.db2.gz UMURWDSHMNEMOR-UHFFFAOYSA-N 1 0 167.277 1.910 50 0 in-vitro ADAARO CSc1ccc(C[NH2+]CCO)cc1 2181868 168310609 /nfs/dbraw/zinc/31/06/09/168310609.db2.gz MXNHNDNJEDGUBO-UHFFFAOYSA-N 1 0 197.303 1.490 50 0 ADAARO CSc1ccc(OCC(N)=[NH2+])cc1 78789749 168310620 /nfs/dbraw/zinc/31/06/20/168310620.db2.gz OFTQKPBJNQGQOM-UHFFFAOYSA-N 1 0 196.275 1.723 50 0 in-vitro ADAARO CSc1ccc(OCC[NH3+])cc1 36245284 168310694 /nfs/dbraw/zinc/31/06/94/168310694.db2.gz OBQCIKNPWDQZBQ-UHFFFAOYSA-N 1 0 183.276 1.746 50 0 in-vitro ADAARO CSc1ccc(C[NH3+])cc1 2574340 168311129 /nfs/dbraw/zinc/31/11/29/168311129.db2.gz SBMPBXFNKYJNIC-UHFFFAOYSA-N 1 0 153.250 1.867 50 0 in-vitro ADAARO CSc1ccc(C[NH3+])s1 20580973 168311240 /nfs/dbraw/zinc/31/12/40/168311240.db2.gz CZMJPWUEVCKUBS-UHFFFAOYSA-N 1 0 159.279 1.929 50 0 ADAARO CSc1ccc(C(N)=[NH2+])cc1 1439407 168311321 /nfs/dbraw/zinc/31/13/21/168311321.db2.gz AKPJVNWTNVZVDP-UHFFFAOYSA-N 1 0 166.249 1.693 50 0 in-vitro ADAARO CSc1ccc([C@@H]([NH3+])CCO)cc1 4089486 168311501 /nfs/dbraw/zinc/31/15/01/168311501.db2.gz WIEZZLQKWCUGIB-JTQLQIEISA-N 1 0 197.303 1.791 50 0 ADAARO CSc1ccc([C@@H]([NH3+])CO)cc1 12404593 168311575 /nfs/dbraw/zinc/31/15/75/168311575.db2.gz SISQHIHFZXIWAT-VIFPVBQESA-N 1 0 183.276 1.401 50 0 in-vitro ADAARO CSc1ccccc1OCC[NH3+] 82504094 168311980 /nfs/dbraw/zinc/31/19/80/168311980.db2.gz IKIYPTDCNNXUJN-UHFFFAOYSA-N 1 0 183.276 1.746 50 0 in-vitro ADAARO CSc1cccc(CC[NH3+])c1 82853274 168312046 /nfs/dbraw/zinc/31/20/46/168312046.db2.gz YERPIGSYQCOWLS-UHFFFAOYSA-N 1 0 167.277 1.910 50 0 ADAARO CSc1cccc(C[NH3+])c1 15635398 168312049 /nfs/dbraw/zinc/31/20/49/168312049.db2.gz VOGFCUBKCHJNFT-UHFFFAOYSA-N 1 0 153.250 1.867 50 0 in-vitro ADAARO CSc1ccnc(C(N)=[NH2+])c1 61814730 168312272 /nfs/dbraw/zinc/31/22/72/168312272.db2.gz OCISDTZHOXWUDR-UHFFFAOYSA-N 1 0 167.237 1.088 50 0 in-vitro ADAARO CSc1ccc([C@H]([NH3+])CO)cc1 12404594 168312342 /nfs/dbraw/zinc/31/23/42/168312342.db2.gz SISQHIHFZXIWAT-SECBINFHSA-N 1 0 183.276 1.401 50 0 in-vitro ADAARO CSc1cccc([C@H]([NH3+])CO)c1 72197494 168312368 /nfs/dbraw/zinc/31/23/68/168312368.db2.gz MUFHXIUVJOIJCJ-SECBINFHSA-N 1 0 183.276 1.401 50 0 ADAARO CSc1cccc(NC(N)=[NH2+])c1 1570705 168312512 /nfs/dbraw/zinc/31/25/12/168312512.db2.gz NDONCSXXYHDQGW-UHFFFAOYSA-N 1 0 181.264 1.714 50 0 in-vitro ADAARO CSc1cccc(NC(=O)C[NH3+])c1 19505412 168312633 /nfs/dbraw/zinc/31/26/33/168312633.db2.gz STDZMBLTRDSZDA-UHFFFAOYSA-N 1 0 196.275 1.306 50 0 ADAARO CSc1ccccc1C[NH3+] 161607 168312674 /nfs/dbraw/zinc/31/26/74/168312674.db2.gz YVEJLBIEESKJLG-UHFFFAOYSA-N 1 0 153.250 1.867 50 0 in-vitro ADAARO CSc1nc(Cl)cc(NN)[nH+]1 1398324 168314109 /nfs/dbraw/zinc/31/41/09/168314109.db2.gz MIAZWEMERMKRCU-UHFFFAOYSA-N 1 0 190.659 1.138 50 0 in-vitro ADAARO CSc1ncc(Cl)c(C[NH3+])n1 82636345 168316040 /nfs/dbraw/zinc/31/60/40/168316040.db2.gz XJUFMISHXIKMHY-UHFFFAOYSA-N 1 0 189.671 1.311 50 0 ADAARO CSc1nnc(CCCC[NH3+])o1 1872773 168317820 /nfs/dbraw/zinc/31/78/20/168317820.db2.gz JFXHQOTZCOYSCS-UHFFFAOYSA-N 1 0 187.268 1.073 50 0 ADAARO CSc1nnc([C@@H]2CCC[NH2+]2)o1 5179190 168318387 /nfs/dbraw/zinc/31/83/87/168318387.db2.gz XIPXGHXRZZSKMB-YFKPBYRVSA-N 1 0 185.252 1.216 50 0 ADAARO C[C@@H](C(N)=[NH2+])c1ccccc1 39269051 168324857 /nfs/dbraw/zinc/32/48/57/168324857.db2.gz UDOPXHYKWNZDML-SSDOTTSWSA-N 1 0 148.209 1.726 50 0 ADAARO C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](C)C1 32751279 168326320 /nfs/dbraw/zinc/32/63/20/168326320.db2.gz XFGMXWZXBFQKLU-ZJUUUORDSA-N 1 0 198.310 1.195 50 0 ADAARO C[C@@H](C(N)=O)[N@H+](C)CC1CCCCC1 61868475 168329864 /nfs/dbraw/zinc/32/98/64/168329864.db2.gz GXOCJACVCNPLGK-VIFPVBQESA-N 1 0 198.310 1.372 50 0 ADAARO C[C@@H](CC(N)=O)[NH2+]Cc1ccccc1 41205980 168335881 /nfs/dbraw/zinc/33/58/81/168335881.db2.gz VZDFLAPWRQPCBF-VIFPVBQESA-N 1 0 192.262 1.040 50 0 ADAARO C[C@@H](CCc1ccccc1)NC(N)=[NH2+] 53278513 168339405 /nfs/dbraw/zinc/33/94/05/168339405.db2.gz TTXDSHGFQDYPFG-VIFPVBQESA-N 1 0 191.278 1.491 50 0 ADAARO C[C@@H](CCO)C1(C[NH3+])CCC1 90225786 168339752 /nfs/dbraw/zinc/33/97/52/168339752.db2.gz WEFPBWBKWIEGRZ-QMMMGPOBSA-N 1 0 157.257 1.134 50 0 in-vitro ADAARO C[C@@H](CCO)[NH2+]Cc1ccccc1 38916351 168339871 /nfs/dbraw/zinc/33/98/71/168339871.db2.gz DYGQWKBWKAFSBR-JTQLQIEISA-N 1 0 179.263 1.547 50 0 in-vitro ADAARO C[C@@H](CC[NH3+])NC(=O)OC(C)(C)C 8700336 168340065 /nfs/dbraw/zinc/34/00/65/168340065.db2.gz JOFFSNZHLGGAJC-ZETCQYMHSA-N 1 0 188.271 1.248 50 0 in-vitro ADAARO C[C@@H](C[NH3+])C(F)(F)F 38582206 168341247 /nfs/dbraw/zinc/34/12/47/168341247.db2.gz RGXWOVRGNDFFDI-VKHMYHEASA-N 1 0 127.109 1.144 50 0 in-vitro ADAARO C[C@@H](C[NH3+])C1CCC1 19726261 168342070 /nfs/dbraw/zinc/34/20/70/168342070.db2.gz HTVFIKCPFOGRIQ-LURJTMIESA-N 1 0 113.204 1.381 50 0 ADAARO C[C@@H](C[NH3+])Cc1ccccc1 11974902 168342457 /nfs/dbraw/zinc/34/24/57/168342457.db2.gz SVBLNCJETIXIPV-SECBINFHSA-N 1 0 149.237 1.824 50 0 ADAARO C[C@@H](C[NH3+])COCc1ccccc1 36678217 168342526 /nfs/dbraw/zinc/34/25/26/168342526.db2.gz MDENEXDTXSSCRK-JTQLQIEISA-N 1 0 179.263 1.798 50 0 in-vitro ADAARO C[C@@H](C[NH3+])Cc1ccc2c(c1)OCO2 11975123 168342636 /nfs/dbraw/zinc/34/26/36/168342636.db2.gz OGPMOPKKBHZJLT-MRVPVSSYSA-N 1 0 193.246 1.553 50 0 ADAARO C[C@@H](C[NH3+])CNC(=O)OC(C)(C)C 39091085 168342737 /nfs/dbraw/zinc/34/27/37/168342737.db2.gz ORDMEFMUSKDHOL-ZETCQYMHSA-N 1 0 188.271 1.106 50 0 in-vitro ADAARO C[C@@H](C[NH3+])N(C)C(=O)OC(C)(C)C 70626840 168342983 /nfs/dbraw/zinc/34/29/83/168342983.db2.gz NVUWUDUEKXDLAG-ZETCQYMHSA-N 1 0 188.271 1.201 50 0 in-vitro ADAARO C[C@@H](C[NH3+])N(C)Cc1ccccc1 19281488 168343124 /nfs/dbraw/zinc/34/31/24/168343124.db2.gz LSPPTXRFKXECFR-JTQLQIEISA-N 1 0 178.279 1.466 50 0 in-vitro ADAARO C[C@@H](C[NH3+])Cn1cc(Cl)cn1 12357762 168343287 /nfs/dbraw/zinc/34/32/87/168343287.db2.gz APRGNOBUZDBYMP-LURJTMIESA-N 1 0 173.647 1.131 50 0 ADAARO C[C@@H](C[NH3+])Cc1cccs1 11974869 168343592 /nfs/dbraw/zinc/34/35/92/168343592.db2.gz GISIZJQNOSILIN-SSDOTTSWSA-N 1 0 155.266 1.885 50 0 in-vitro ADAARO C[C@@H](C[NH3+])CC(F)F 306491944 168343778 /nfs/dbraw/zinc/34/37/78/168343778.db2.gz PGFRUHINHDONNY-SCSAIBSYSA-N 1 0 123.146 1.236 50 0 ADAARO C[C@@H](C[NH3+])N(C)c1ccccc1 19092268 168343803 /nfs/dbraw/zinc/34/38/03/168343803.db2.gz MTGWEQNAYMYQLM-VIFPVBQESA-N 1 0 164.252 1.470 50 0 in-vitro ADAARO C[C@@H](C[NH3+])CC(F)(F)F 38462381 168344261 /nfs/dbraw/zinc/34/42/61/168344261.db2.gz PIOIYGGPVZPPRE-SCSAIBSYSA-N 1 0 141.136 1.534 50 0 ADAARO C[C@@H](C[NH3+])c1ccc(O)cc1 32139717 168344548 /nfs/dbraw/zinc/34/45/48/168344548.db2.gz ZGYDQXZKRDEGFR-ZETCQYMHSA-N 1 0 151.209 1.454 50 0 ADAARO C[C@@H](C[NH3+])c1ccc(N(C)C)nc1 83273380 168344584 /nfs/dbraw/zinc/34/45/84/168344584.db2.gz MPHPTEGYRCFLJJ-QMMMGPOBSA-N 1 0 179.267 1.210 50 0 ADAARO C[C@@H](C[NH3+])NCc1ccccc1 19366432 168344683 /nfs/dbraw/zinc/34/46/83/168344683.db2.gz LHNRUKBQFAJHLL-VIFPVBQESA-N 1 0 164.252 1.123 50 0 in-vitro ADAARO C[C@@H](C[NH3+])Oc1cccc(F)c1 43514165 168344689 /nfs/dbraw/zinc/34/46/89/168344689.db2.gz SUWBMVLBECTPCD-ZETCQYMHSA-N 1 0 169.199 1.552 50 0 in-vitro ADAARO C[C@@H](C[NH3+])N1CCc2ccccc21 12480842 168344692 /nfs/dbraw/zinc/34/46/92/168344692.db2.gz NPLIBYPKABRYCL-VIFPVBQESA-N 1 0 176.263 1.396 50 0 in-vitro ADAARO C[C@@H](CN)[NH+]1C[C@H](C)C[C@@H](C)C1 22216991 168344730 /nfs/dbraw/zinc/34/47/30/168344730.db2.gz WGEAIYISKQEKLT-BBBLOLIVSA-N 1 0 170.300 1.312 50 0 ADAARO C[C@@H](C[NH3+])c1ccc(F)cc1 19675093 168344747 /nfs/dbraw/zinc/34/47/47/168344747.db2.gz YRBRJLWZJHRXBG-ZETCQYMHSA-N 1 0 153.200 1.888 50 0 in-vitro ADAARO C[C@@H](CN)[N@@H+]1CCCC[C@H]1C 22463894 168345193 /nfs/dbraw/zinc/34/51/93/168345193.db2.gz PJDPNPWWAPAAII-BDAKNGLRSA-N 1 0 156.273 1.208 50 0 ADAARO C[C@@H](C[NH3+])Oc1ccccc1 11946393 168345426 /nfs/dbraw/zinc/34/54/26/168345426.db2.gz UDRPWKSZPLYUMD-QMMMGPOBSA-N 1 0 151.209 1.413 50 0 in-vitro ADAARO C[C@@H](CN)[NH+]1CCCCCC1 32497046 168345541 /nfs/dbraw/zinc/34/55/41/168345541.db2.gz LNUMREOZJKDEOF-VIFPVBQESA-N 1 0 156.273 1.210 50 0 in-vitro ADAARO C[C@@H](CN)[N@@H+]1CCC[C@@H](C)C1 38340204 168345625 /nfs/dbraw/zinc/34/56/25/168345625.db2.gz UZMIFBCNBIXTAN-BDAKNGLRSA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO C[C@@H](C[NH3+])Oc1ccc(F)cc1 11946332 168345635 /nfs/dbraw/zinc/34/56/35/168345635.db2.gz BKMIGRSVUBPFSI-ZETCQYMHSA-N 1 0 169.199 1.552 50 0 in-vitro ADAARO C[C@@H](C[NH3+])Oc1cccc(N(C)C)c1 11804933 168345694 /nfs/dbraw/zinc/34/56/94/168345694.db2.gz KIGBAFDNIUNIRG-VIFPVBQESA-N 1 0 194.278 1.479 50 0 in-vitro ADAARO C[C@@H](C[NH3+])N1CCc2sccc2C1 22920541 168345771 /nfs/dbraw/zinc/34/57/71/168345771.db2.gz MQKOIUAPLLHABT-QMMMGPOBSA-N 1 0 196.319 1.453 50 0 in-vitro ADAARO C[C@@H](C[NH3+])N1CCc2ccccc2C1 19794317 168345808 /nfs/dbraw/zinc/34/58/08/168345808.db2.gz UJWSUHSIWKEFHM-JTQLQIEISA-N 1 0 190.290 1.392 50 0 in-vitro ADAARO C[C@@H](CN)[N@@H+]1CCCC[C@@H]1C 19794309 168345855 /nfs/dbraw/zinc/34/58/55/168345855.db2.gz PJDPNPWWAPAAII-IUCAKERBSA-N 1 0 156.273 1.208 50 0 ADAARO C[C@@H](C[NH3+])Nc1ccccc1 26442749 168345959 /nfs/dbraw/zinc/34/59/59/168345959.db2.gz CNZJSNWTEPRULC-QMMMGPOBSA-N 1 0 150.225 1.446 50 0 in-vitro ADAARO C[C@@H](C[NH3+])Oc1ccccc1F 43514141 168345976 /nfs/dbraw/zinc/34/59/76/168345976.db2.gz TYIRFITUACUYQZ-ZETCQYMHSA-N 1 0 169.199 1.552 50 0 in-vitro ADAARO C[C@@H](C[NH3+])c1nc2ccccc2o1 54334919 168346519 /nfs/dbraw/zinc/34/65/19/168346519.db2.gz FYGVUVGJGNEHCM-ZETCQYMHSA-N 1 0 176.219 1.890 50 0 ADAARO C[C@@H](C[NH3+])c1cccc(F)c1 37245648 168346575 /nfs/dbraw/zinc/34/65/75/168346575.db2.gz XDGLXAPWDQVMTK-ZETCQYMHSA-N 1 0 153.200 1.888 50 0 in-vitro ADAARO C[C@@H](C[NH3+])c1ccncc1 15781569 168346775 /nfs/dbraw/zinc/34/67/75/168346775.db2.gz PFSHXDJWAVNKNO-ZETCQYMHSA-N 1 0 136.198 1.144 50 0 in-vitro ADAARO C[C@@H](C[NH3+])c1nccs1 11883508 168347099 /nfs/dbraw/zinc/34/70/99/168347099.db2.gz BOQVGMANBXIAEQ-YFKPBYRVSA-N 1 0 142.227 1.205 50 0 in-vitro ADAARO C[C@@H](C[NH3+])c1cccs1 6408903 168347385 /nfs/dbraw/zinc/34/73/85/168347385.db2.gz FWRBHKLKOBUBEQ-LURJTMIESA-N 1 0 141.239 1.810 50 0 in-vitro ADAARO C[C@@H](C[NH3+])c1ccccc1 1506851 168347405 /nfs/dbraw/zinc/34/74/05/168347405.db2.gz AXORVIZLPOGIRG-QMMMGPOBSA-N 1 0 135.210 1.749 50 0 in-vitro ADAARO C[C@@H](C[NH3+])c1ccccn1 37245835 168347522 /nfs/dbraw/zinc/34/75/22/168347522.db2.gz OPXKHJBYRJBEBH-ZETCQYMHSA-N 1 0 136.198 1.144 50 0 in-vitro ADAARO C[C@@H](CO)C[NH+]1CCCCC1 5751377 168348593 /nfs/dbraw/zinc/34/85/93/168348593.db2.gz OYKSDWPYPAQPRX-SECBINFHSA-N 1 0 157.257 1.101 50 0 in-vitro ADAARO C[C@@H](CO)C[NH2+]Cc1ccccc1 19094129 168349253 /nfs/dbraw/zinc/34/92/53/168349253.db2.gz HJARAYMXDYVLBL-SNVBAGLBSA-N 1 0 179.263 1.405 50 0 ADAARO C[C@@H](C[NH2+]CCO)c1ccccc1 1656336 168349551 /nfs/dbraw/zinc/34/95/51/168349551.db2.gz OGVXHFNUQCWBPC-JTQLQIEISA-N 1 0 179.263 1.372 50 0 ADAARO C[C@@H](CO)[N@@H+]1CCC[C@@H](C)C1 15635676 168349827 /nfs/dbraw/zinc/34/98/27/168349827.db2.gz IVFMCLNSQCOKJU-BDAKNGLRSA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO C[C@@H](CO)[NH2+]Cc1ccccc1 4742824 168349919 /nfs/dbraw/zinc/34/99/19/168349919.db2.gz PJXWCRXOPLGFLX-VIFPVBQESA-N 1 0 165.236 1.157 50 0 in-vitro ADAARO C[C@@H](CO)[N@@H+]1CCCC[C@@H]1C 15635672 168350014 /nfs/dbraw/zinc/35/00/14/168350014.db2.gz UCTLHKSQISSPFT-IUCAKERBSA-N 1 0 157.257 1.242 50 0 in-vitro ADAARO C[C@@H](CO)[NH2+]C[C@H](C)c1ccccc1 35602401 168350225 /nfs/dbraw/zinc/35/02/25/168350225.db2.gz DXPXQVNBKOIQBJ-QWRGUYRKSA-N 1 0 193.290 1.761 50 0 in-vitro ADAARO C[C@@H](CO)[NH2+]C[C@@H](C)c1ccccc1 35602402 168350322 /nfs/dbraw/zinc/35/03/22/168350322.db2.gz DXPXQVNBKOIQBJ-MNOVXSKESA-N 1 0 193.290 1.761 50 0 in-vitro ADAARO C[C@@H](CO)[N@@H+]1CCCC[C@H]1C 34650833 168350348 /nfs/dbraw/zinc/35/03/48/168350348.db2.gz UCTLHKSQISSPFT-BDAKNGLRSA-N 1 0 157.257 1.242 50 0 in-vitro ADAARO C[C@@H](CO)[NH2+]CC(C)(C)C 41042265 168350423 /nfs/dbraw/zinc/35/04/23/168350423.db2.gz KVNHGOLOCNVSOR-ZETCQYMHSA-N 1 0 145.246 1.003 50 0 ADAARO C[C@@H](CO)[NH+]1Cc2ccccc2C1 41199856 168350689 /nfs/dbraw/zinc/35/06/89/168350689.db2.gz PAFZOKJWXPORCM-VIFPVBQESA-N 1 0 177.247 1.383 50 0 ADAARO C[C@@H](CO)[NH2+]Cc1ccccc1Cl 32628239 168350842 /nfs/dbraw/zinc/35/08/42/168350842.db2.gz YEZLLBZQPKTYAA-QMMMGPOBSA-N 1 0 199.681 1.810 50 0 in-vitro ADAARO C[C@@H](CO)[NH2+]C1CCCCC1 1716861 168351554 /nfs/dbraw/zinc/35/15/54/168351554.db2.gz XPWWRSIBXKFKTA-QMMMGPOBSA-N 1 0 157.257 1.290 50 0 ADAARO C[C@@H](CO)Nc1nc2ccccc2[nH]1 37756947 168352660 /nfs/dbraw/zinc/35/26/60/168352660.db2.gz NWPXPADGNDEEJL-ZETCQYMHSA-N 1 0 191.234 1.356 50 0 in-vitro ADAARO C[C@@H](COc1ccccc1)[NH2+]CCO 3073124 168353185 /nfs/dbraw/zinc/35/31/85/168353185.db2.gz RANHEEPQMBBPKB-JTQLQIEISA-N 1 0 195.262 1.036 50 0 ADAARO C[C@@H](Cc1ccc(O)cc1)[NH+](C)C 347523 168354087 /nfs/dbraw/zinc/35/40/87/168354087.db2.gz OKQXTKNGCAQTIS-VIFPVBQESA-N 1 0 179.263 1.885 50 0 ADAARO C[C@@H]([NH3+])C(=O)N(C)C1CCCCC1 35154302 168357348 /nfs/dbraw/zinc/35/73/48/168357348.db2.gz DTLYSUCVUMLCMH-MRVPVSSYSA-N 1 0 184.283 1.125 50 0 ADAARO C[C@@H]([NH3+])C(=O)Cc1ccccc1 74340927 168357539 /nfs/dbraw/zinc/35/75/39/168357539.db2.gz KGRCBWKTZCOZFX-MRVPVSSYSA-N 1 0 163.220 1.145 50 0 in-vitro ADAARO C[C@@H]([NH3+])C(=O)c1ccc(Cl)cc1 53194816 168357979 /nfs/dbraw/zinc/35/79/79/168357979.db2.gz PWNZKQBNTIOCAT-ZCFIWIBFSA-N 1 0 183.638 1.870 50 0 in-vitro ADAARO C[C@@H]([NH3+])C(=O)Nc1ccc(Cl)cc1 4312882 168358975 /nfs/dbraw/zinc/35/89/75/168358975.db2.gz WWTNMZYJTWPQKY-ZCFIWIBFSA-N 1 0 198.653 1.626 50 0 in-vitro ADAARO C[C@@H]([NH3+])C(=O)Nc1ccc(F)cc1 19438906 168359310 /nfs/dbraw/zinc/35/93/10/168359310.db2.gz BPHFFXQGZBVHBW-ZCFIWIBFSA-N 1 0 182.198 1.111 50 0 ADAARO C[C@@H]([NH3+])C(C)(C)C 2166835 168359563 /nfs/dbraw/zinc/35/95/63/168359563.db2.gz DXSUORGKJZADET-RXMQYKEDSA-N 1 0 101.193 1.380 50 0 in-vitro ADAARO C[C@@H]([NH3+])C1CCCC1 34596145 168359626 /nfs/dbraw/zinc/35/96/26/168359626.db2.gz NLHIUUMEKSNMLS-ZCFIWIBFSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO C[C@@H]([NH3+])C1=CCCCC1 19090995 168359708 /nfs/dbraw/zinc/35/97/08/168359708.db2.gz DYOAYILVQKBJOT-SSDOTTSWSA-N 1 0 125.215 1.834 50 0 ADAARO C[C@@H]([NH3+])CC(=O)c1ccc(F)cc1 44460872 168359720 /nfs/dbraw/zinc/35/97/20/168359720.db2.gz YVOOLGLDIPLLIU-SSDOTTSWSA-N 1 0 181.210 1.746 50 0 in-vitro ADAARO C[C@@H]([NH3+])CCCC(C)(C)O 3079364 168359762 /nfs/dbraw/zinc/35/97/62/168359762.db2.gz LREQLEBVOXIEOM-SSDOTTSWSA-N 1 0 145.246 1.275 50 0 world ADAARO C[C@@H]([NH3+])CC(F)(F)F 34108623 168359830 /nfs/dbraw/zinc/35/98/30/168359830.db2.gz HKEQNJJYWZWKMC-GSVOUGTGSA-N 1 0 127.109 1.286 50 0 in-vitro ADAARO C[C@@H]([NH3+])CC(=O)c1ccco1 75110683 168359846 /nfs/dbraw/zinc/35/98/46/168359846.db2.gz APEQIFISCQQGBW-ZCFIWIBFSA-N 1 0 153.181 1.200 50 0 in-vitro ADAARO C[C@@H]([NH3+])CC1CCCC1 2041130 168359901 /nfs/dbraw/zinc/35/99/01/168359901.db2.gz JEJKKTYNUKTPTJ-SSDOTTSWSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO C[C@@H]([NH3+])CC(=O)OCc1ccccc1 2567321 168359955 /nfs/dbraw/zinc/35/99/55/168359955.db2.gz NOHFRXCNQZIVBV-SECBINFHSA-N 1 0 193.246 1.467 50 0 in-vitro ADAARO C[C@@H]([NH3+])C1(C)CC1 20282373 168360128 /nfs/dbraw/zinc/36/01/28/168360128.db2.gz DOAMTLHAIDSDBV-RXMQYKEDSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO C[C@@H]([NH3+])CC1CC1 43214519 168360145 /nfs/dbraw/zinc/36/01/45/168360145.db2.gz WFJUBRAHXQCZAM-RXMQYKEDSA-N 1 0 99.177 1.134 50 0 ADAARO C[C@@H]([NH3+])C(=O)c1cccc(Cl)c1 88330331 168360392 /nfs/dbraw/zinc/36/03/92/168360392.db2.gz RDWWHMAISJGIDU-ZCFIWIBFSA-N 1 0 183.638 1.870 50 0 in-vitro ADAARO C[C@@H]([NH3+])C(=O)c1ccc(F)cc1F 71499636 168360444 /nfs/dbraw/zinc/36/04/44/168360444.db2.gz RIYPWWKLGKYLSG-RXMQYKEDSA-N 1 0 185.173 1.495 50 0 ADAARO C[C@@H]([NH3+])CC1CCC1 78724713 168360469 /nfs/dbraw/zinc/36/04/69/168360469.db2.gz GPEFCRXOFGOZFQ-ZCFIWIBFSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO C[C@@H]([NH3+])CC(=O)Nc1ccccc1 37475611 168360545 /nfs/dbraw/zinc/36/05/45/168360545.db2.gz JZZMNRPDRVJKBO-MRVPVSSYSA-N 1 0 178.235 1.362 50 0 ADAARO C[C@@H]([NH3+])CC1CCOCC1 52175633 168360553 /nfs/dbraw/zinc/36/05/53/168360553.db2.gz PTJCOUYZLVVANE-SSDOTTSWSA-N 1 0 143.230 1.150 50 0 in-vitro ADAARO C[C@@H]([NH3+])CC(C)(C)C 44410458 168360581 /nfs/dbraw/zinc/36/05/81/168360581.db2.gz XAVBRZMHQJCGDI-ZCFIWIBFSA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO C[C@@H]([NH3+])C1CCC1 20444019 168360598 /nfs/dbraw/zinc/36/05/98/168360598.db2.gz GDGHPMLCHFTAIY-RXMQYKEDSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO C[C@@H]([NH3+])C1(O)CCCCC1 34099950 168360630 /nfs/dbraw/zinc/36/06/30/168360630.db2.gz DYABBZGBVUCORR-SSDOTTSWSA-N 1 0 143.230 1.029 50 0 ADAARO C[C@@H]([NH3+])CC(=O)c1ccccc1 75772043 168360865 /nfs/dbraw/zinc/36/08/65/168360865.db2.gz GSIGIINQHDSADO-MRVPVSSYSA-N 1 0 163.220 1.607 50 0 in-vitro ADAARO C[C@@H]([NH3+])C(=O)c1ccccc1 53165482 168360960 /nfs/dbraw/zinc/36/09/60/168360960.db2.gz PUAQLLVFLMYYJJ-SSDOTTSWSA-N 1 0 149.193 1.217 50 0 biogenic,in-vitro ADAARO C[C@@H]([NH3+])CCC1CC1 70636289 168361057 /nfs/dbraw/zinc/36/10/57/168361057.db2.gz YKPKQABTMNSWPD-ZCFIWIBFSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO C[C@@H]([NH3+])C1CCCCC1 901370 168361130 /nfs/dbraw/zinc/36/11/30/168361130.db2.gz XBWOPGDJMAJJDG-SSDOTTSWSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO C[C@@H]([NH3+])CC(=O)c1cccs1 82164556 168361155 /nfs/dbraw/zinc/36/11/55/168361155.db2.gz MKKPDVXAVAVBOW-ZCFIWIBFSA-N 1 0 169.249 1.668 50 0 in-vitro ADAARO C[C@@H]([NH3+])CC(=O)OC(C)(C)C 2569671 168361223 /nfs/dbraw/zinc/36/12/23/168361223.db2.gz BFFNZGWJTHWUMY-ZCFIWIBFSA-N 1 0 159.229 1.065 50 0 in-vitro ADAARO C[C@@H]([NH3+])CCc1cccn1C 71373327 168361506 /nfs/dbraw/zinc/36/15/06/168361506.db2.gz XVKRHROYXMXJKI-MRVPVSSYSA-N 1 0 152.241 1.305 50 0 in-vitro ADAARO C[C@@H]([NH3+])CCOCc1ccccc1 38136687 168361964 /nfs/dbraw/zinc/36/19/64/168361964.db2.gz NCVXGQWWOPIONP-SNVBAGLBSA-N 1 0 179.263 1.941 50 0 in-vitro ADAARO C[C@@H]([NH3+])CCc1ccco1 3882375 168362231 /nfs/dbraw/zinc/36/22/31/168362231.db2.gz FMXPHTQMUMXJKJ-SSDOTTSWSA-N 1 0 139.198 1.559 50 0 in-vitro ADAARO C[C@@H]([NH3+])CCc1ccc2c(c1)OCO2 1634318 168362331 /nfs/dbraw/zinc/36/23/31/168362331.db2.gz LWUIKWNECJUNDA-MRVPVSSYSA-N 1 0 193.246 1.695 50 0 in-vitro ADAARO C[C@@H]([NH3+])CCNC(=O)OC(C)(C)C 39952152 168362341 /nfs/dbraw/zinc/36/23/41/168362341.db2.gz MSCLVLGMLLYXFV-SSDOTTSWSA-N 1 0 188.271 1.248 50 0 in-vitro ADAARO C[C@@H]([NH3+])CCc1ccc(O)cc1 2567330 168362352 /nfs/dbraw/zinc/36/23/52/168362352.db2.gz WNTVTQIJPAFZEL-MRVPVSSYSA-N 1 0 165.236 1.672 50 0 in-vitro ADAARO C[C@@H](N)C[N@@H+]1CCC[C@@H](C)C1 22168427 168362423 /nfs/dbraw/zinc/36/24/23/168362423.db2.gz OPSPNTUNGOXOIC-RKDXNWHRSA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO C[C@@H]([NH3+])CCCc1cccnc1 2567341 168362521 /nfs/dbraw/zinc/36/25/21/168362521.db2.gz FVWVJTJAALVOQO-SECBINFHSA-N 1 0 164.252 1.752 50 0 in-vitro ADAARO C[C@@H]([NH3+])CCc1ccccc1 1665103 168362569 /nfs/dbraw/zinc/36/25/69/168362569.db2.gz WECUIGDEWBNQJJ-SECBINFHSA-N 1 0 149.237 1.966 50 0 in-vitro ADAARO C[C@@H]([NH3+])CC[C@H]1CCCO1 4843958 168362807 /nfs/dbraw/zinc/36/28/07/168362807.db2.gz IKLKXPGCAFBANO-HTQZYQBOSA-N 1 0 143.230 1.293 50 0 in-vitro ADAARO C[C@@H]([NH3+])CN(C)C(=O)OC(C)(C)C 71618832 168362956 /nfs/dbraw/zinc/36/29/56/168362956.db2.gz QWQQJKYSTUZVDK-SSDOTTSWSA-N 1 0 188.271 1.201 50 0 ADAARO C[C@@H]([NH3+])CN(C)c1ccccc1 19852398 168363147 /nfs/dbraw/zinc/36/31/47/168363147.db2.gz OGUIAFAIFGRUDY-SECBINFHSA-N 1 0 164.252 1.470 50 0 in-vitro ADAARO C[C@@H]([NH3+])CC[C@@H]1CCCO1 4843957 168363320 /nfs/dbraw/zinc/36/33/20/168363320.db2.gz IKLKXPGCAFBANO-SFYZADRCSA-N 1 0 143.230 1.293 50 0 in-vitro ADAARO C[C@@H]([NH3+])CN1CCc2ccccc2C1 22916993 168363536 /nfs/dbraw/zinc/36/35/36/168363536.db2.gz KUENUWACNZYNKC-SNVBAGLBSA-N 1 0 190.290 1.392 50 0 in-vitro ADAARO C[C@@H](N)C[NH+]1CCCCCC1 39170055 168363564 /nfs/dbraw/zinc/36/35/64/168363564.db2.gz OBBYUKKVCZUXOY-SECBINFHSA-N 1 0 156.273 1.210 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1cccc2c1CCO2 40435038 168363867 /nfs/dbraw/zinc/36/38/67/168363867.db2.gz LTXYRVJSOQKJAH-MRVPVSSYSA-N 1 0 177.247 1.511 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1ccccc1O 19404067 168363872 /nfs/dbraw/zinc/36/38/72/168363872.db2.gz BCYNCBWCTHFJIU-SSDOTTSWSA-N 1 0 151.209 1.282 50 0 ADAARO C[C@@H]([NH3+])C[C@H](O)c1cccs1 82164490 168363925 /nfs/dbraw/zinc/36/39/25/168363925.db2.gz MLZPXVVKOVENGJ-RQJHMYQMSA-N 1 0 171.265 1.519 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1cccs1 4384267 168363963 /nfs/dbraw/zinc/36/39/63/168363963.db2.gz NYVQQTOGYLBBDQ-ZCFIWIBFSA-N 1 0 141.239 1.638 50 0 in-vitro ADAARO C[C@@H]([NH3+])C[C@H](O)c1ccc(F)cc1 79106058 168363973 /nfs/dbraw/zinc/36/39/73/168363973.db2.gz UIXSIOQBLTVBSC-XCBNKYQSSA-N 1 0 183.226 1.596 50 0 ADAARO C[C@@H]([NH3+])Cc1ccc(F)cc1F 19384548 168364014 /nfs/dbraw/zinc/36/40/14/168364014.db2.gz IPVBMKZXHICCNW-ZCFIWIBFSA-N 1 0 171.190 1.855 50 0 ADAARO C[C@@H]([NH3+])Cc1ccc2c(c1)OCO2 741 168364016 /nfs/dbraw/zinc/36/40/16/168364016.db2.gz NGBBVGZWCFBOGO-SSDOTTSWSA-N 1 0 179.219 1.305 50 0 world ADAARO C[C@@H]([NH3+])Cc1cccc(F)c1 6036836 168364018 /nfs/dbraw/zinc/36/40/18/168364018.db2.gz PIOCLGPCMNPZFT-SSDOTTSWSA-N 1 0 153.200 1.715 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1cccc(O)c1 338 168364032 /nfs/dbraw/zinc/36/40/32/168364032.db2.gz WTDGMHYYGNJEKQ-SSDOTTSWSA-N 1 0 151.209 1.282 50 0 in-man ADAARO C[C@@H]([NH3+])COc1ccc(F)cc1 13566374 168364056 /nfs/dbraw/zinc/36/40/56/168364056.db2.gz SHHSHEWVMNXSKZ-SSDOTTSWSA-N 1 0 169.199 1.552 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1cccc2c1OCO2 6036841 168364083 /nfs/dbraw/zinc/36/40/83/168364083.db2.gz XOOVOZRNDZPGLF-SSDOTTSWSA-N 1 0 179.219 1.305 50 0 in-vitro ADAARO C[C@@H]([NH3+])COC(C)(C)C 20510609 168364145 /nfs/dbraw/zinc/36/41/45/168364145.db2.gz QOTBCSKXQXCOTD-ZCFIWIBFSA-N 1 0 131.219 1.149 50 0 ADAARO C[C@@H]([NH3+])C[C@@H](O)c1ccc(F)cc1 79106065 168364148 /nfs/dbraw/zinc/36/41/48/168364148.db2.gz UIXSIOQBLTVBSC-GMSGAONNSA-N 1 0 183.226 1.596 50 0 ADAARO C[C@@H]([NH3+])COCC1CCCCC1 52152107 168364153 /nfs/dbraw/zinc/36/41/53/168364153.db2.gz OJQSUKJVWQVMBZ-SECBINFHSA-N 1 0 171.284 1.931 50 0 ADAARO C[C@@H]([NH3+])Cc1ccco1 3882588 168364186 /nfs/dbraw/zinc/36/41/86/168364186.db2.gz IDUAQSPIDXGMKI-ZCFIWIBFSA-N 1 0 125.171 1.169 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1cn2ccsc2n1 11628469 168364188 /nfs/dbraw/zinc/36/41/88/168364188.db2.gz CBKBSKDIGTWNBO-ZCFIWIBFSA-N 1 0 181.264 1.286 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1ccc(O)cc1 373 168364254 /nfs/dbraw/zinc/36/42/54/168364254.db2.gz GIKNHHRFLCDOEU-SSDOTTSWSA-N 1 0 151.209 1.282 50 0 fda ADAARO C[C@@H]([NH3+])C[C@@H](O)c1ccco1 75110689 168364304 /nfs/dbraw/zinc/36/43/04/168364304.db2.gz WAFBZZZRVPRDGT-RNFRBKRXSA-N 1 0 155.197 1.050 50 0 in-vitro ADAARO C[C@@H]([NH3+])C[C@H](O)c1ccccc1 75546820 168364321 /nfs/dbraw/zinc/36/43/21/168364321.db2.gz IRZOOZVKGLADMX-SCZZXKLOSA-N 1 0 165.236 1.457 50 0 ADAARO C[C@@H]([NH3+])Cc1ccc(F)cc1 2040586 168364394 /nfs/dbraw/zinc/36/43/94/168364394.db2.gz DGXWNDGLEOIEGT-SSDOTTSWSA-N 1 0 153.200 1.715 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1cn2ccccc2n1 36243936 168364408 /nfs/dbraw/zinc/36/44/08/168364408.db2.gz WZCUWZAVDFVCTE-MRVPVSSYSA-N 1 0 175.235 1.224 50 0 ADAARO C[C@@H]([NH3+])Cc1cc(F)c(F)cc1F 44411208 168364435 /nfs/dbraw/zinc/36/44/35/168364435.db2.gz QKVCEEJOYPBGQX-RXMQYKEDSA-N 1 0 189.180 1.994 50 0 ADAARO C[C@@H]([NH3+])Cc1c[nH]c2ccc(O)cc12 2012157 168364458 /nfs/dbraw/zinc/36/44/58/168364458.db2.gz LYPCGXKCQDYTFV-SSDOTTSWSA-N 1 0 190.246 1.763 50 0 in-vivo ADAARO C[C@@H]([NH3+])COc1ccc(F)cc1F 23069426 168364590 /nfs/dbraw/zinc/36/45/90/168364590.db2.gz KWCXWMIRJGOFBM-ZCFIWIBFSA-N 1 0 187.189 1.691 50 0 ADAARO C[C@@H]([NH3+])COc1ccccc1F 23069813 168364605 /nfs/dbraw/zinc/36/46/05/168364605.db2.gz KJLQFTPKHZGQIN-SSDOTTSWSA-N 1 0 169.199 1.552 50 0 in-vitro ADAARO C[C@@H]([NH3+])C[C@@H](O)c1ccccc1 34408177 168364636 /nfs/dbraw/zinc/36/46/36/168364636.db2.gz IRZOOZVKGLADMX-PSASIEDQSA-N 1 0 165.236 1.457 50 0 ADAARO C[C@@H]([NH3+])Cc1ccc2c(c1)CCO2 3651177 168364670 /nfs/dbraw/zinc/36/46/70/168364670.db2.gz PZTJXZKNTPCPJL-MRVPVSSYSA-N 1 0 177.247 1.511 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1ccccc1F 6036874 168364715 /nfs/dbraw/zinc/36/47/15/168364715.db2.gz GDSXNLDTQFFIEU-SSDOTTSWSA-N 1 0 153.200 1.715 50 0 in-vitro ADAARO C[C@@H]([NH3+])C[C@@H](O)c1cccs1 82164493 168364756 /nfs/dbraw/zinc/36/47/56/168364756.db2.gz MLZPXVVKOVENGJ-RNFRBKRXSA-N 1 0 171.265 1.519 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1ccsc1 19088288 168364760 /nfs/dbraw/zinc/36/47/60/168364760.db2.gz RTEQDZAVAQTCOK-ZCFIWIBFSA-N 1 0 141.239 1.638 50 0 in-vitro ADAARO C[C@@H]([NH3+])COc1ccccc1 2008775 168364824 /nfs/dbraw/zinc/36/48/24/168364824.db2.gz IKYFHRVPKIFGMH-MRVPVSSYSA-N 1 0 151.209 1.413 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1c(F)cccc1F 19282451 168364863 /nfs/dbraw/zinc/36/48/63/168364863.db2.gz GNBMPMFCGJHGMN-ZCFIWIBFSA-N 1 0 171.190 1.855 50 0 in-vitro ADAARO C[C@@H]([NH3+])COC(F)(F)C(F)(F)F 95918459 168364933 /nfs/dbraw/zinc/36/49/33/168364933.db2.gz YJKODVJQMYPFTQ-GSVOUGTGSA-N 1 0 193.115 1.505 50 0 ADAARO C[C@@H]([NH3+])Cc1ccoc1 44068881 168364962 /nfs/dbraw/zinc/36/49/62/168364962.db2.gz PLXMPVWLDQPMCC-ZCFIWIBFSA-N 1 0 125.171 1.169 50 0 in-vitro ADAARO C[C@@H]([NH3+])COc1cccc(F)c1 19262212 168365070 /nfs/dbraw/zinc/36/50/70/168365070.db2.gz KQNWMBRZAOIDBK-SSDOTTSWSA-N 1 0 169.199 1.552 50 0 in-vitro ADAARO C[C@@H]([NH3+])C[C@H](O)c1ccco1 75110686 168365081 /nfs/dbraw/zinc/36/50/81/168365081.db2.gz WAFBZZZRVPRDGT-RQJHMYQMSA-N 1 0 155.197 1.050 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1ccc(N(C)C)cc1 4414699 168365106 /nfs/dbraw/zinc/36/51/06/168365106.db2.gz RWZBJXQDQJZOLY-SECBINFHSA-N 1 0 178.279 1.642 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1ccc2c(c1)OCC2 3651183 168365132 /nfs/dbraw/zinc/36/51/32/168365132.db2.gz VRNGXHJGMCJRSQ-MRVPVSSYSA-N 1 0 177.247 1.511 50 0 in-vitro ADAARO C[C@@H]([NH3+])COCc1ccccc1 6443085 168365142 /nfs/dbraw/zinc/36/51/42/168365142.db2.gz HYUZZQIAJWNRAQ-SECBINFHSA-N 1 0 165.236 1.550 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1ccccc1 6036847 168365179 /nfs/dbraw/zinc/36/51/79/168365179.db2.gz KWTSXDURSIMDCE-MRVPVSSYSA-N 1 0 135.210 1.576 50 0 fda ADAARO C[C@@H]([NH3+])[C@@H](O)c1ccc(F)c(F)c1 20216758 168365486 /nfs/dbraw/zinc/36/54/86/168365486.db2.gz AZGOCEZNGANRJF-MLUIRONXSA-N 1 0 187.189 1.345 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cn1ccc2ccccc21 49584759 168366066 /nfs/dbraw/zinc/36/60/66/168366066.db2.gz OZPPCCIRSILHOZ-SECBINFHSA-N 1 0 174.247 1.989 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@@H](C)Oc1ccccc1F 41054007 168366168 /nfs/dbraw/zinc/36/61/68/168366168.db2.gz WSPKKRXQPQTPJP-HTQZYQBOSA-N 1 0 183.226 1.940 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cn1ncc2ccc(O)cc21 13679044 168366334 /nfs/dbraw/zinc/36/63/34/168366334.db2.gz WBYHTZYHAFNBKW-SSDOTTSWSA-N 1 0 191.234 1.089 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@@H](O)c1ccccc1 1930 168366468 /nfs/dbraw/zinc/36/64/68/168366468.db2.gz DLNKOYKMWOXYQA-VXNVDRBHSA-N 1 0 151.209 1.067 50 0 biogenic,world ADAARO C[C@@H]([NH3+])[C@@H](C)NC(=O)OC(C)(C)C 72208898 168366616 /nfs/dbraw/zinc/36/66/16/168366616.db2.gz FUICJLZUPZOTSL-RNFRBKRXSA-N 1 0 188.271 1.247 50 0 ADAARO C[C@@H]([NH3+])[C@@H](O)c1c(F)cccc1F 20216754 168366801 /nfs/dbraw/zinc/36/68/01/168366801.db2.gz PDLBZIPDMSHBFD-MLUIRONXSA-N 1 0 187.189 1.345 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cc1nccs1 11883636 168366861 /nfs/dbraw/zinc/36/68/61/168366861.db2.gz BDUWTHZMQZVPFE-RXMQYKEDSA-N 1 0 142.227 1.033 50 0 ADAARO C[C@@H]([NH3+])[C@@H](O)c1ccccc1F 20216964 168366879 /nfs/dbraw/zinc/36/68/79/168366879.db2.gz VJXSWZWBWCAQRD-HZGVNTEJSA-N 1 0 169.199 1.206 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@@H](O)c1cccc(F)c1 20216734 168366931 /nfs/dbraw/zinc/36/69/31/168366931.db2.gz DVIIBWRQNLCWLQ-HZGVNTEJSA-N 1 0 169.199 1.206 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@@H](O)c1ccc(Cl)cc1 2580905 168366939 /nfs/dbraw/zinc/36/69/39/168366939.db2.gz LTOCGMHUCZEAMG-HZGVNTEJSA-N 1 0 185.654 1.721 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@@H](O)C1CCCCC1 51689958 168367054 /nfs/dbraw/zinc/36/70/54/168367054.db2.gz GOHOUZHYROOFRU-VXNVDRBHSA-N 1 0 157.257 1.275 50 0 ADAARO C[C@@H]([NH3+])[C@@H](O)c1cccc(Cl)c1 20216854 168367086 /nfs/dbraw/zinc/36/70/86/168367086.db2.gz OYGPLKFNQHPTBG-HZGVNTEJSA-N 1 0 185.654 1.721 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@@H](C)Oc1ccccc1 39643015 168367192 /nfs/dbraw/zinc/36/71/92/168367192.db2.gz ZJZBQXXUDKGJOZ-RKDXNWHRSA-N 1 0 165.236 1.801 50 0 in-vitro ADAARO C[C@@H]([NH3+])Cn1ccc(C(F)(F)F)n1 4298930 168367247 /nfs/dbraw/zinc/36/72/47/168367247.db2.gz AGCSKUQVZKYSRA-RXMQYKEDSA-N 1 0 193.172 1.249 50 0 ADAARO C[C@@H]([NH3+])[C@H](c1ccccc1)N(C)C 42900862 168367492 /nfs/dbraw/zinc/36/74/92/168367492.db2.gz LMTBPLOIFJDYEV-MWLCHTKSSA-N 1 0 178.279 1.637 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 100221063 168367532 /nfs/dbraw/zinc/36/75/32/168367532.db2.gz JVWKHPHTJHFQAN-LDMBFOFVSA-N 1 0 195.306 1.665 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@@H]1COc2ccccc2O1 197693 168367546 /nfs/dbraw/zinc/36/75/46/168367546.db2.gz AANTWDPFFAREMQ-XCBNKYQSSA-N 1 0 179.219 1.174 50 0 ADAARO C[C@@H]([NH3+])[C@@](C)(O)c1ccccc1 1847101 168367667 /nfs/dbraw/zinc/36/76/67/168367667.db2.gz XWXGOKGZVMEGGA-PSASIEDQSA-N 1 0 165.236 1.241 50 0 ADAARO C[C@@H]([NH3+])[C@H]1C[C@H]2CC[C@@H]1C2 2566402 168367720 /nfs/dbraw/zinc/36/77/20/168367720.db2.gz LPUCHTNHUHOTRY-BZNPZCIMSA-N 1 0 139.242 1.770 50 0 ADAARO C[C@@H]([NH3+])c1c(F)cccc1F 21950201 168367848 /nfs/dbraw/zinc/36/78/48/168367848.db2.gz PDPHGCQJDUZZGM-RXMQYKEDSA-N 1 0 157.163 1.985 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@H]1COc2ccccc21 83255006 168367998 /nfs/dbraw/zinc/36/79/98/168367998.db2.gz JSAWVKCPAYDQPL-VXNVDRBHSA-N 1 0 163.220 1.510 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@H]1OCCc2sccc21 213343579 168368046 /nfs/dbraw/zinc/36/80/46/168368046.db2.gz LVPYWMBNEWEIQH-HZGVNTEJSA-N 1 0 183.276 1.709 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@H](O)c1ccccc1F 20216966 168368073 /nfs/dbraw/zinc/36/80/73/168368073.db2.gz VJXSWZWBWCAQRD-MUWHJKNJSA-N 1 0 169.199 1.206 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@H](O)c1ccccc1 157548 168368119 /nfs/dbraw/zinc/36/81/19/168368119.db2.gz DLNKOYKMWOXYQA-APPZFPTMSA-N 1 0 151.209 1.067 50 0 aggregator,biogenic,in-man ADAARO C[C@@H]([NH3+])[C@H](O)C1CCCCC1 51689957 168368221 /nfs/dbraw/zinc/36/82/21/168368221.db2.gz GOHOUZHYROOFRU-APPZFPTMSA-N 1 0 157.257 1.275 50 0 ADAARO C[C@@H]([NH3+])c1c(F)cncc1F 104668575 168368258 /nfs/dbraw/zinc/36/82/58/168368258.db2.gz SNTNAXQGPHXUJO-SCSAIBSYSA-N 1 0 158.151 1.380 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@H](O)c1cccc(Cl)c1 20216856 168368262 /nfs/dbraw/zinc/36/82/62/168368262.db2.gz OYGPLKFNQHPTBG-MUWHJKNJSA-N 1 0 185.654 1.721 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@@H]1C[C@H]2CC[C@@H]1C2 71792720 168368325 /nfs/dbraw/zinc/36/83/25/168368325.db2.gz LPUCHTNHUHOTRY-XAVMHZPKSA-N 1 0 139.242 1.770 50 0 ADAARO C[C@@H]([NH3+])[C@@H]1OCCc2sccc21 213343635 168368343 /nfs/dbraw/zinc/36/83/43/168368343.db2.gz LVPYWMBNEWEIQH-MUWHJKNJSA-N 1 0 183.276 1.709 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@H]1COc2ccccc2O1 3683932 168368397 /nfs/dbraw/zinc/36/83/97/168368397.db2.gz AANTWDPFFAREMQ-GMSGAONNSA-N 1 0 179.219 1.174 50 0 ADAARO C[C@@H]([NH3+])[C@](C)(O)c1ccccc1 1847098 168368415 /nfs/dbraw/zinc/36/84/15/168368415.db2.gz XWXGOKGZVMEGGA-SCZZXKLOSA-N 1 0 165.236 1.241 50 0 ADAARO C[C@@H]([NH3+])[C@H](O)c1ccc(F)c(F)c1 20216760 168368518 /nfs/dbraw/zinc/36/85/18/168368518.db2.gz AZGOCEZNGANRJF-ANLVUFKYSA-N 1 0 187.189 1.345 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@@H]1COc2ccccc21 83255003 168368607 /nfs/dbraw/zinc/36/86/07/168368607.db2.gz JSAWVKCPAYDQPL-APPZFPTMSA-N 1 0 163.220 1.510 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@H](O)c1ccc(Cl)cc1 4240140 168368693 /nfs/dbraw/zinc/36/86/93/168368693.db2.gz LTOCGMHUCZEAMG-MUWHJKNJSA-N 1 0 185.654 1.721 50 0 ADAARO C[C@@H]([NH3+])[C@H](O)c1c(F)cccc1F 20216756 168368751 /nfs/dbraw/zinc/36/87/51/168368751.db2.gz PDLBZIPDMSHBFD-ANLVUFKYSA-N 1 0 187.189 1.345 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@H](O)c1cccc(F)c1 20216736 168368948 /nfs/dbraw/zinc/36/89/48/168368948.db2.gz DVIIBWRQNLCWLQ-MUWHJKNJSA-N 1 0 169.199 1.206 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@H](O)c1ccc(F)cc1 6494211 168368958 /nfs/dbraw/zinc/36/89/58/168368958.db2.gz NFIUKBOGCIKNNF-MUWHJKNJSA-N 1 0 169.199 1.206 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cccc(F)c1F 39952080 168369469 /nfs/dbraw/zinc/36/94/69/168369469.db2.gz KETZXWRRCDXDFT-RXMQYKEDSA-N 1 0 157.163 1.985 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc2c(c1)CCO2 21950323 168369483 /nfs/dbraw/zinc/36/94/83/168369483.db2.gz QIYXYRNFEROUBV-SSDOTTSWSA-N 1 0 163.220 1.641 50 0 ADAARO C[C@@H]([NH3+])c1ccc(NC(N)=O)cc1 19261120 168369507 /nfs/dbraw/zinc/36/95/07/168369507.db2.gz JAKQIIOIZBBZSL-ZCFIWIBFSA-N 1 0 179.223 1.197 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc2c(c1)NC(=O)CO2 12481303 168369514 /nfs/dbraw/zinc/36/95/14/168369514.db2.gz IDOFUCXHAUJAEQ-ZCFIWIBFSA-N 1 0 192.218 1.037 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cccc(N)c1 2540030 168369583 /nfs/dbraw/zinc/36/95/83/168369583.db2.gz MBWYRMCXWROJMP-ZCFIWIBFSA-N 1 0 136.198 1.289 50 0 ADAARO C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 6667681 168369600 /nfs/dbraw/zinc/36/96/00/168369600.db2.gz ZKYATSWXTBXDHA-MRVPVSSYSA-N 1 0 193.246 1.868 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc2nc[nH]c2c1 45820838 168369617 /nfs/dbraw/zinc/36/96/17/168369617.db2.gz DBAJKAVSAXBACO-ZCFIWIBFSA-N 1 0 161.208 1.583 50 0 ADAARO C[C@@H]([NH3+])c1ccc(Cl)cn1 74342402 168369787 /nfs/dbraw/zinc/36/97/87/168369787.db2.gz HMFCMANDGJSIMX-RXMQYKEDSA-N 1 0 156.616 1.755 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc(-n2ccnc2)cc1 1301238 168369841 /nfs/dbraw/zinc/36/98/41/168369841.db2.gz OYVAMJZOLMOBIL-SECBINFHSA-N 1 0 187.246 1.892 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc(F)cn1 59202790 168369898 /nfs/dbraw/zinc/36/98/98/168369898.db2.gz KNKRMCSSVBSDNL-RXMQYKEDSA-N 1 0 140.161 1.240 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2C 34940683 168369914 /nfs/dbraw/zinc/36/99/14/168369914.db2.gz AVYYGYRFEPCUGG-SSDOTTSWSA-N 1 0 190.246 1.225 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc2c(c1)OCO2 2581649 168369971 /nfs/dbraw/zinc/36/99/71/168369971.db2.gz ZWBXYAKHFVPCBF-ZCFIWIBFSA-N 1 0 165.192 1.435 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cccc(Cl)n1 83268943 168369999 /nfs/dbraw/zinc/36/99/99/168369999.db2.gz BKQIIQHHFWJFAI-RXMQYKEDSA-N 1 0 156.616 1.755 50 0 ADAARO C[C@@H]([NH3+])c1ccc(O)cc1 403301 168370003 /nfs/dbraw/zinc/37/00/03/168370003.db2.gz CDQPLIAKRDYOCB-ZCFIWIBFSA-N 1 0 137.182 1.412 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cc2n(n1)CCCC2 83269844 168370020 /nfs/dbraw/zinc/37/00/20/168370020.db2.gz QASJNOJDEPRNGF-SSDOTTSWSA-N 1 0 165.240 1.239 50 0 ADAARO C[C@@H]([NH3+])c1ccc(F)cc1F 3423946 168370086 /nfs/dbraw/zinc/37/00/86/168370086.db2.gz VBPKWFKAYDHOQW-RXMQYKEDSA-N 1 0 157.163 1.985 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cc(F)cc(F)c1 2525260 168370104 /nfs/dbraw/zinc/37/01/04/168370104.db2.gz XTIXPIMMHGCRJD-RXMQYKEDSA-N 1 0 157.163 1.985 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc2c(c1)CCN2 75845036 168370187 /nfs/dbraw/zinc/37/01/87/168370187.db2.gz UQROIBMQDWLVQU-SSDOTTSWSA-N 1 0 162.236 1.674 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cc2cnccc2o1 82850476 168370246 /nfs/dbraw/zinc/37/02/46/168370246.db2.gz GRRYGMAFEKWZSG-ZCFIWIBFSA-N 1 0 162.192 1.848 50 0 ADAARO C[C@@H]([NH3+])c1ccc(O)c(F)c1 20551049 168370279 /nfs/dbraw/zinc/37/02/79/168370279.db2.gz VWURQMSCABRCTE-RXMQYKEDSA-N 1 0 155.172 1.551 50 0 ADAARO C[C@@H]([NH3+])c1cccc(-n2cccn2)c1 20412654 168370341 /nfs/dbraw/zinc/37/03/41/168370341.db2.gz JQOGBUDCDGYZOY-SECBINFHSA-N 1 0 187.246 1.892 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc[nH]1 11848726 168370422 /nfs/dbraw/zinc/37/04/22/168370422.db2.gz KYCDNQPIQHCAFW-RXMQYKEDSA-N 1 0 110.160 1.034 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cccc(F)c1 2525271 168370440 /nfs/dbraw/zinc/37/04/40/168370440.db2.gz ASNVMKIDRJZXQZ-ZCFIWIBFSA-N 1 0 139.173 1.845 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cccc(-n2ccnc2)c1 71790722 168370443 /nfs/dbraw/zinc/37/04/43/168370443.db2.gz IXPMKBMVQBDDBE-SECBINFHSA-N 1 0 187.246 1.892 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cc(F)ccc1N(C)C 19872735 168370468 /nfs/dbraw/zinc/37/04/68/168370468.db2.gz AXTDJCWTDXAMFC-SSDOTTSWSA-N 1 0 182.242 1.911 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc(-n2cccn2)cc1 19872815 168370635 /nfs/dbraw/zinc/37/06/35/168370635.db2.gz BCWSPVPPKRRCPI-SECBINFHSA-N 1 0 187.246 1.892 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc(F)c(F)c1 3705317 168370637 /nfs/dbraw/zinc/37/06/37/168370637.db2.gz AESHLRAPTJZOJL-RXMQYKEDSA-N 1 0 157.163 1.985 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc2c(c1)OCCO2 3705366 168370661 /nfs/dbraw/zinc/37/06/61/168370661.db2.gz ABUSRLBOAUOYSM-SSDOTTSWSA-N 1 0 179.219 1.478 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc(-n2cncn2)cc1 4206140 168370688 /nfs/dbraw/zinc/37/06/88/168370688.db2.gz LWCNLFHKRQJWOW-MRVPVSSYSA-N 1 0 188.234 1.287 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc(F)cc1 388327 168370713 /nfs/dbraw/zinc/37/07/13/168370713.db2.gz QGCLEUGNYRXBMZ-ZCFIWIBFSA-N 1 0 139.173 1.845 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc(S(C)(=O)=O)cc1 154311 168370756 /nfs/dbraw/zinc/37/07/56/168370756.db2.gz XJAMLZUKCSRXAF-SSDOTTSWSA-N 1 0 199.275 1.110 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc(-n2ccnn2)cc1 82391311 168370798 /nfs/dbraw/zinc/37/07/98/168370798.db2.gz JIVBNQRFYJHWPQ-MRVPVSSYSA-N 1 0 188.234 1.287 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc(CO)cc1 35246463 168370871 /nfs/dbraw/zinc/37/08/71/168370871.db2.gz OIXCLGWYBYGSBI-SSDOTTSWSA-N 1 0 151.209 1.199 50 0 ADAARO C[C@@H]([NH3+])c1ccc(Cl)nc1 34741463 168370911 /nfs/dbraw/zinc/37/09/11/168370911.db2.gz OZVNENIAEVSUDT-RXMQYKEDSA-N 1 0 156.616 1.755 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2 19969575 168370918 /nfs/dbraw/zinc/37/09/18/168370918.db2.gz CQWMZWLOIWMFOA-ZCFIWIBFSA-N 1 0 176.219 1.201 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 36892093 168370925 /nfs/dbraw/zinc/37/09/25/168370925.db2.gz GRPHUVBYBPOPLW-RXMQYKEDSA-N 1 0 178.191 1.141 50 0 ADAARO C[C@@H]([NH3+])c1cccc(F)n1 104520705 168370929 /nfs/dbraw/zinc/37/09/29/168370929.db2.gz JMWKMDAXGWSOFO-RXMQYKEDSA-N 1 0 140.161 1.240 50 0 ADAARO C[C@@H]([NH3+])c1ccc2c(c1)CCC(=O)N2 19968160 168371085 /nfs/dbraw/zinc/37/10/85/168371085.db2.gz UTNPVXXOXLTSKW-SSDOTTSWSA-N 1 0 190.246 1.591 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc(N)cc1 6732181 168371089 /nfs/dbraw/zinc/37/10/89/168371089.db2.gz CDSPOZXUDJUBEZ-ZCFIWIBFSA-N 1 0 136.198 1.289 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccc(F)nc1 82410331 168371096 /nfs/dbraw/zinc/37/10/96/168371096.db2.gz JBTAFZSFQDNIMT-RXMQYKEDSA-N 1 0 140.161 1.240 50 0 ADAARO C[C@@H]([NH3+])c1cc(F)ccc1F 3705319 168371118 /nfs/dbraw/zinc/37/11/18/168371118.db2.gz BMIRIPDNKQHPQG-RXMQYKEDSA-N 1 0 157.163 1.985 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccco1 2545009 168371382 /nfs/dbraw/zinc/37/13/82/168371382.db2.gz JYXGCMLOKDKUAX-RXMQYKEDSA-N 1 0 111.144 1.299 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1nc2c(s1)COCC2 41059207 168371593 /nfs/dbraw/zinc/37/15/93/168371593.db2.gz YKJNMGKMGBNRJM-RXMQYKEDSA-N 1 0 184.264 1.236 50 0 ADAARO C[C@@H]([NH3+])c1cccc(O)c1 2540031 168371650 /nfs/dbraw/zinc/37/16/50/168371650.db2.gz WFRNDUQAIZJRPZ-ZCFIWIBFSA-N 1 0 137.182 1.412 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccoc1 36447719 168371683 /nfs/dbraw/zinc/37/16/83/168371683.db2.gz SBVKKZRVKMOURL-RXMQYKEDSA-N 1 0 111.144 1.299 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccsc1 34257193 168371848 /nfs/dbraw/zinc/37/18/48/168371848.db2.gz KXCGQPCMPZULFH-RXMQYKEDSA-N 1 0 127.212 1.768 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1nc2c([nH]1)CCCC2 82510218 168371871 /nfs/dbraw/zinc/37/18/71/168371871.db2.gz HOAPQNRSOTVRON-ZCFIWIBFSA-N 1 0 165.240 1.308 50 0 ADAARO C[C@@H]([NH3+])c1cccc2c1OCO2 82851267 168371877 /nfs/dbraw/zinc/37/18/77/168371877.db2.gz JKABBFAHXOOSNQ-ZCFIWIBFSA-N 1 0 165.192 1.435 50 0 ADAARO C[C@@H]([NH3+])c1cccn1C 11848685 168372039 /nfs/dbraw/zinc/37/20/39/168372039.db2.gz GXGXFSZNJFMNBT-ZCFIWIBFSA-N 1 0 124.187 1.045 50 0 ADAARO C[C@@H]([NH3+])c1cscn1 20417911 168372159 /nfs/dbraw/zinc/37/21/59/168372159.db2.gz QNBSQSRLKMIEAH-SCSAIBSYSA-N 1 0 128.200 1.163 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1nc(-c2cccs2)n[nH]1 54700208 168372188 /nfs/dbraw/zinc/37/21/88/168372188.db2.gz AVSNPKFQASEHNB-RXMQYKEDSA-N 1 0 194.263 1.553 50 0 ADAARO C[C@@H]([NH3+])c1nc2c(s1)CCC2 11631709 168372240 /nfs/dbraw/zinc/37/22/40/168372240.db2.gz BUWLQLZMUBHORG-RXMQYKEDSA-N 1 0 168.265 1.652 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cnc2ccccn12 31918350 168372283 /nfs/dbraw/zinc/37/22/83/168372283.db2.gz XVTYDMPYGMBYBD-SSDOTTSWSA-N 1 0 161.208 1.354 50 0 ADAARO C[C@@H]([NH3+])c1cccnc1 801643 168372308 /nfs/dbraw/zinc/37/23/08/168372308.db2.gz IQVQNBXPYJGNEA-ZCFIWIBFSA-N 1 0 122.171 1.101 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cnc(Cl)cn1 83591546 168372314 /nfs/dbraw/zinc/37/23/14/168372314.db2.gz SXBSRDJNLZZIFB-SCSAIBSYSA-N 1 0 157.604 1.150 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cn2ccsc2n1 11566939 168372387 /nfs/dbraw/zinc/37/23/87/168372387.db2.gz SQJKYMYHTQVRRZ-RXMQYKEDSA-N 1 0 167.237 1.416 50 0 ADAARO C[C@@H]([NH3+])c1ccncc1 801645 168372415 /nfs/dbraw/zinc/37/24/15/168372415.db2.gz HIZMJYQEHFJWQY-ZCFIWIBFSA-N 1 0 122.171 1.101 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1nc2ccccc2[nH]1 65087 168372480 /nfs/dbraw/zinc/37/24/80/168372480.db2.gz NXSULSSADMIWQD-ZCFIWIBFSA-N 1 0 161.208 1.583 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccn(C)c1 39073745 168372538 /nfs/dbraw/zinc/37/25/38/168372538.db2.gz LOCUKVKZMLTDJC-ZCFIWIBFSA-N 1 0 124.187 1.045 50 0 ADAARO C[C@@H]([NH3+])c1cnn(-c2ccccc2)c1 19087962 168372694 /nfs/dbraw/zinc/37/26/94/168372694.db2.gz IOAUCNVBBMEIQG-SECBINFHSA-N 1 0 187.246 1.892 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccnc(F)c1 88189951 168372698 /nfs/dbraw/zinc/37/26/98/168372698.db2.gz QVVCZZBVMDPSEX-RXMQYKEDSA-N 1 0 140.161 1.240 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cn(-c2ccccc2)nn1 75772347 168372701 /nfs/dbraw/zinc/37/27/01/168372701.db2.gz WHLMWNCAOOBOTJ-MRVPVSSYSA-N 1 0 188.234 1.287 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccccn1 801641 168372782 /nfs/dbraw/zinc/37/27/82/168372782.db2.gz PDNHLCRMUIGNBV-ZCFIWIBFSA-N 1 0 122.171 1.101 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccccc1 6037146 168372799 /nfs/dbraw/zinc/37/27/99/168372799.db2.gz RQEUFEKYXDPUSK-SSDOTTSWSA-N 1 0 121.183 1.706 50 0 endogenous,in-man ADAARO C[C@@H]([NH3+])c1ccccc1-n1cccn1 19090137 168372801 /nfs/dbraw/zinc/37/28/01/168372801.db2.gz ZMQFFVHJPHXLGZ-SECBINFHSA-N 1 0 187.246 1.892 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccns1 73657687 168372975 /nfs/dbraw/zinc/37/29/75/168372975.db2.gz YASLCOVGVSMIMR-SCSAIBSYSA-N 1 0 128.200 1.163 50 0 ADAARO C[C@@H]([NH3+])c1ccccc1N 6732183 168373018 /nfs/dbraw/zinc/37/30/18/168373018.db2.gz QLQQOKKKXYRMRG-ZCFIWIBFSA-N 1 0 136.198 1.289 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cccs1 556235 168373024 /nfs/dbraw/zinc/37/30/24/168373024.db2.gz LYJBVRVJQXVVPI-RXMQYKEDSA-N 1 0 127.212 1.768 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccccc1N(C)C 19872742 168373081 /nfs/dbraw/zinc/37/30/81/168373081.db2.gz CCKNJZLEZJEYDL-MRVPVSSYSA-N 1 0 164.252 1.772 50 0 ADAARO C[C@@H]([NH3+])c1cn2ccccc2n1 19765374 168373101 /nfs/dbraw/zinc/37/31/01/168373101.db2.gz JFYSCZFFBRGSBA-SSDOTTSWSA-N 1 0 161.208 1.354 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cncc(F)c1 44463354 168373147 /nfs/dbraw/zinc/37/31/47/168373147.db2.gz KTESVPWZFNAFOU-RXMQYKEDSA-N 1 0 140.161 1.240 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ccnc(Cl)c1 44138904 168373173 /nfs/dbraw/zinc/37/31/73/168373173.db2.gz QVYJLHKUZZRYEH-RXMQYKEDSA-N 1 0 156.616 1.755 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cncs1 11760635 168373207 /nfs/dbraw/zinc/37/32/07/168373207.db2.gz RLPSARLYTKXVSE-SCSAIBSYSA-N 1 0 128.200 1.163 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cncc(Cl)c1 104451787 168373213 /nfs/dbraw/zinc/37/32/13/168373213.db2.gz HVGKGOMAGDQVDC-RXMQYKEDSA-N 1 0 156.616 1.755 50 0 ADAARO C[C@@H]([NH3+])c1nnc2n1CCCCC2 9953657 168373446 /nfs/dbraw/zinc/37/34/46/168373446.db2.gz WQCTXDFTGIHMRX-SSDOTTSWSA-N 1 0 180.255 1.024 50 0 ADAARO C[C@@H]([NH3+])c1noc(C(F)(F)F)n1 36765066 168373506 /nfs/dbraw/zinc/37/35/06/168373506.db2.gz APIHQVPWSRBKOH-UWTATZPHSA-N 1 0 181.117 1.108 50 0 ADAARO C[C@@H]([NH3+])c1nc(C(F)(F)F)c[nH]1 36872128 168373921 /nfs/dbraw/zinc/37/39/21/168373921.db2.gz NHVNMNALXYHXDM-GSVOUGTGSA-N 1 0 179.145 1.448 50 0 ADAARO C[C@@H]([NH3+])c1nc2ccccc2n1C 19734272 168374032 /nfs/dbraw/zinc/37/40/32/168374032.db2.gz RPQJEKDKGMFLHE-SSDOTTSWSA-N 1 0 175.235 1.593 50 0 ADAARO C[C@@H]([NH3+])c1noc(C(F)F)n1 88611651 168374140 /nfs/dbraw/zinc/37/41/40/168374140.db2.gz FXYCMEDFGMVZBX-UWTATZPHSA-N 1 0 163.127 1.027 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1nccn1-c1ccccc1 82510431 168374173 /nfs/dbraw/zinc/37/41/73/168374173.db2.gz KYPQNTCHYGUBCX-SECBINFHSA-N 1 0 187.246 1.892 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1nncn1C1CCCC1 15080803 168374353 /nfs/dbraw/zinc/37/43/53/168374353.db2.gz VUTRVRLUSOBYCX-SSDOTTSWSA-N 1 0 180.255 1.413 50 0 ADAARO C[C@@H]([NH3+])c1ncccc1F 44138870 168374771 /nfs/dbraw/zinc/37/47/71/168374771.db2.gz OQOGUSGSVBLLPD-RXMQYKEDSA-N 1 0 140.161 1.240 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1ncc(Cl)cc1F 91692947 168374990 /nfs/dbraw/zinc/37/49/90/168374990.db2.gz MAYQGJSDQBLXHN-SCSAIBSYSA-N 1 0 174.606 1.894 50 0 in-vitro ADAARO C[C@@H](NC(N)=[NH2+])c1ccccc1 2046405 168375117 /nfs/dbraw/zinc/37/51/17/168375117.db2.gz KDEAYTOFKXHILE-SSDOTTSWSA-N 1 0 163.224 1.231 50 0 ADAARO C[C@@H](NC(N)=[NH2+])c1cccc(Cl)c1 53278534 168375278 /nfs/dbraw/zinc/37/52/78/168375278.db2.gz KLXBWHJKWSQSQL-ZCFIWIBFSA-N 1 0 197.669 1.884 50 0 ADAARO C[C@@H]([NH3+])c1ncc(F)cc1Cl 91692939 168375520 /nfs/dbraw/zinc/37/55/20/168375520.db2.gz SDUHKTNKBOJHSU-SCSAIBSYSA-N 1 0 174.606 1.894 50 0 ADAARO C[C@@H]([NH3+])c1ncc(F)cc1F 66054734 168375677 /nfs/dbraw/zinc/37/56/77/168375677.db2.gz YIVYDQMDAGDWBF-SCSAIBSYSA-N 1 0 158.151 1.380 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1nccs1 11631701 168375795 /nfs/dbraw/zinc/37/57/95/168375795.db2.gz DUOLTCNKKZZNIC-SCSAIBSYSA-N 1 0 128.200 1.163 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1nccc(C(F)(F)F)n1 70947567 168375894 /nfs/dbraw/zinc/37/58/94/168375894.db2.gz DQJVBYWUPLZKPB-SCSAIBSYSA-N 1 0 191.156 1.515 50 0 ADAARO C[C@@H](NC(=O)CC[NH3+])c1ccccc1 22171154 168377169 /nfs/dbraw/zinc/37/71/69/168377169.db2.gz NKESIOZGUGEVDQ-SECBINFHSA-N 1 0 192.262 1.213 50 0 ADAARO C[C@@H]([NH2+]C1CC1)c1cccnc1 15042380 168378780 /nfs/dbraw/zinc/37/87/80/168378780.db2.gz XJCXOPUZWYXCES-MRVPVSSYSA-N 1 0 162.236 1.895 50 0 in-vitro ADAARO C[C@@H]([NH2+]C1CC1)c1ccccn1 21958420 168379906 /nfs/dbraw/zinc/37/99/06/168379906.db2.gz BPKDBQRPWTWGOA-MRVPVSSYSA-N 1 0 162.236 1.895 50 0 in-vitro ADAARO C[C@@H]([NH2+]C1CC1)C1CC1 20282032 168380037 /nfs/dbraw/zinc/38/00/37/168380037.db2.gz LZSVPZOUKYTYLN-ZCFIWIBFSA-N 1 0 125.215 1.537 50 0 in-vitro ADAARO C[C@@H]([NH2+]CCC(N)=O)c1ccccc1 19736893 168380221 /nfs/dbraw/zinc/38/02/21/168380221.db2.gz HZCIUSQVJMZLEZ-SECBINFHSA-N 1 0 192.262 1.213 50 0 ADAARO C[C@@H]([NH2+]CCCO)c1ccccc1 2243764 168380233 /nfs/dbraw/zinc/38/02/33/168380233.db2.gz OCUYEHFIDUKNIU-SNVBAGLBSA-N 1 0 179.263 1.720 50 0 in-vitro ADAARO C[C@@H]([NH2+]CCO)c1ccccc1 1667566 168380257 /nfs/dbraw/zinc/38/02/57/168380257.db2.gz GXIWMXAAPLZOBY-SECBINFHSA-N 1 0 165.236 1.330 50 0 in-vitro ADAARO C[C@@H](NCC[NH3+])c1ccccc1 19366125 168380498 /nfs/dbraw/zinc/38/04/98/168380498.db2.gz PPLYZPAMMOECNS-SECBINFHSA-N 1 0 164.252 1.296 50 0 in-vitro ADAARO C[C@@H]([NH2+]CCCO)c1ccncc1 4245023 168380594 /nfs/dbraw/zinc/38/05/94/168380594.db2.gz FDCRRSIBJZPFKU-SECBINFHSA-N 1 0 180.251 1.115 50 0 ADAARO C[C@@H]([NH2+]CCN(C)C)c1ccccn1 21961408 168380602 /nfs/dbraw/zinc/38/06/02/168380602.db2.gz TUUNCPPDLUENHP-SNVBAGLBSA-N 1 0 193.294 1.294 50 0 ADAARO C[C@@H]([NH2+]CCO)C(C)(C)C 80641325 168381057 /nfs/dbraw/zinc/38/10/57/168381057.db2.gz NPMDESBOOBJXIP-SSDOTTSWSA-N 1 0 145.246 1.003 50 0 in-vitro ADAARO C[C@@H]([NH2+]CC1CC1)C1CC1 19884831 168381263 /nfs/dbraw/zinc/38/12/63/168381263.db2.gz ZVTQPFPLLJTHKG-SSDOTTSWSA-N 1 0 139.242 1.785 50 0 in-vitro ADAARO C[C@@H]([NH2+]CCO)C1CCCCC1 37250531 168381841 /nfs/dbraw/zinc/38/18/41/168381841.db2.gz ITAAEHYRDVORCC-SECBINFHSA-N 1 0 171.284 1.537 50 0 in-vitro ADAARO C[C@@H]([NH2+]CCCO)c1ccccn1 2396125 168382058 /nfs/dbraw/zinc/38/20/58/168382058.db2.gz VTPSDNLWUCEVFT-SECBINFHSA-N 1 0 180.251 1.115 50 0 in-vitro ADAARO C[C@@H]([NH2+]CCN(C)C)c1ccncc1 22147152 168382350 /nfs/dbraw/zinc/38/23/50/168382350.db2.gz NJKLDKVSRPAXMJ-SNVBAGLBSA-N 1 0 193.294 1.294 50 0 ADAARO C[C@@H]([NH2+]CCCO)c1cccnc1 1877070 168382409 /nfs/dbraw/zinc/38/24/09/168382409.db2.gz IYOKAVFRPPOWHT-SECBINFHSA-N 1 0 180.251 1.115 50 0 ADAARO C[C@@H]([NH2+]Cc1ccccc1)C(C)(C)O 75772329 168384501 /nfs/dbraw/zinc/38/45/01/168384501.db2.gz SZZRCZNJFYKEAT-SNVBAGLBSA-N 1 0 193.290 1.936 50 0 ADAARO C[C@@H](O)CCCC[NH+](C)C 45619204 168389986 /nfs/dbraw/zinc/38/99/86/168389986.db2.gz PHLDMHNERXSHJK-MRVPVSSYSA-N 1 0 145.246 1.099 50 0 in-vitro ADAARO C[C@@H](O)C[NH+]1CCCCCC1 154431 168390923 /nfs/dbraw/zinc/39/09/23/168390923.db2.gz RHULHUMGLDCWCP-SECBINFHSA-N 1 0 157.257 1.243 50 0 in-vitro ADAARO C[C@@H](O)C[N@@H+]1CCCC[C@H]1C 35193974 168392338 /nfs/dbraw/zinc/39/23/38/168392338.db2.gz SJVZIMJRRLNDLA-RKDXNWHRSA-N 1 0 157.257 1.242 50 0 ADAARO C[C@@H](O)C[NH2+]CC(C)(C)C 40493473 168392958 /nfs/dbraw/zinc/39/29/58/168392958.db2.gz QDLVIRCXZMYKKB-SSDOTTSWSA-N 1 0 145.246 1.003 50 0 ADAARO C[C@@H](O)C[NH2+]CCc1ccccc1 10474605 168393883 /nfs/dbraw/zinc/39/38/83/168393883.db2.gz UCXKJWYAKBQNFK-SNVBAGLBSA-N 1 0 179.263 1.200 50 0 ADAARO C[C@@H](O)C[NH2+]C1CCCCC1 409878 168394456 /nfs/dbraw/zinc/39/44/56/168394456.db2.gz HFHPBMVMXFZJNO-MRVPVSSYSA-N 1 0 157.257 1.290 50 0 ADAARO C[C@@H](O)C[NH2+]CC1CCCCC1 10474624 168394888 /nfs/dbraw/zinc/39/48/88/168394888.db2.gz KGKWYIGOZOCLGK-SECBINFHSA-N 1 0 171.284 1.537 50 0 ADAARO C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H](C)C1 4290971 168395149 /nfs/dbraw/zinc/39/51/49/168395149.db2.gz NRPGTWMBGPTPRM-OPRDCNLKSA-N 1 0 171.284 1.536 50 0 ADAARO C[C@@H](O)C[NH2+]Cc1ccccc1 5912747 168395277 /nfs/dbraw/zinc/39/52/77/168395277.db2.gz IVPPRWDCTCLFSP-SECBINFHSA-N 1 0 165.236 1.157 50 0 in-vitro ADAARO C[C@@H](O)C[C@@H](C[NH3+])c1ccccc1 75110639 168395410 /nfs/dbraw/zinc/39/54/10/168395410.db2.gz QYQVQEZLGDQAMY-KOLCDFICSA-N 1 0 179.263 1.500 50 0 in-vitro ADAARO C[C@@H](O)C[NH2+]Cc1ccc(F)cc1 5912730 168395423 /nfs/dbraw/zinc/39/54/23/168395423.db2.gz UXQLVZSHGBGNJX-MRVPVSSYSA-N 1 0 183.226 1.296 50 0 ADAARO C[C@@H](O)C[NH2+]Cc1ccccc1F 268958 168395791 /nfs/dbraw/zinc/39/57/91/168395791.db2.gz RDXJXBHOADGGBR-MRVPVSSYSA-N 1 0 183.226 1.296 50 0 ADAARO C[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1 5912729 168396122 /nfs/dbraw/zinc/39/61/22/168396122.db2.gz QVSYPVHTTIDEPQ-MRVPVSSYSA-N 1 0 199.681 1.810 50 0 ADAARO C[C@@H](O)C[NH2+][C@H]1CCC[C@@H](C)C1 4290970 168396212 /nfs/dbraw/zinc/39/62/12/168396212.db2.gz NRPGTWMBGPTPRM-BBBLOLIVSA-N 1 0 171.284 1.536 50 0 ADAARO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1C 14695442 168396978 /nfs/dbraw/zinc/39/69/78/168396978.db2.gz JOHKCJPJMSCFBX-BDAKNGLRSA-N 1 0 157.257 1.242 50 0 biogenic,in-vitro ADAARO C[C@@H](O)C[C@H]1CCCC[N@@H+]1C 14695445 168397541 /nfs/dbraw/zinc/39/75/41/168397541.db2.gz JOHKCJPJMSCFBX-RKDXNWHRSA-N 1 0 157.257 1.242 50 0 biogenic,in-vitro ADAARO C[C@@H](O)[C@@H]([NH3+])c1ccccc1F 41168224 168397769 /nfs/dbraw/zinc/39/77/69/168397769.db2.gz DWXYPVJJOLRWQJ-HZGVNTEJSA-N 1 0 169.199 1.206 50 0 ADAARO C[C@@H](O)C[C@H](C[NH3+])c1ccccc1 75110642 168397911 /nfs/dbraw/zinc/39/79/11/168397911.db2.gz QYQVQEZLGDQAMY-MWLCHTKSSA-N 1 0 179.263 1.500 50 0 in-vitro ADAARO C[C@@H](O)C[C@H]1CCCCC[NH2+]1 86454027 168398135 /nfs/dbraw/zinc/39/81/35/168398135.db2.gz ODOKIGUNVGCUOY-RKDXNWHRSA-N 1 0 157.257 1.290 50 0 in-vitro ADAARO C[C@@H](O)[C@@H]([NH3+])c1ccccc1 2583491 168398141 /nfs/dbraw/zinc/39/81/41/168398141.db2.gz AAEOXZIUGCXWTF-VXNVDRBHSA-N 1 0 151.209 1.067 50 0 in-vitro ADAARO C[C@@H](O)C[C@@H]1CCCCC[NH2+]1 86454025 168398147 /nfs/dbraw/zinc/39/81/47/168398147.db2.gz ODOKIGUNVGCUOY-BDAKNGLRSA-N 1 0 157.257 1.290 50 0 in-vitro ADAARO C[C@@H](O)[C@H]([NH3+])c1ccccc1 36949175 168398559 /nfs/dbraw/zinc/39/85/59/168398559.db2.gz AAEOXZIUGCXWTF-APPZFPTMSA-N 1 0 151.209 1.067 50 0 in-vitro ADAARO C[C@@H](O)[C@@](C)(C[NH3+])Cc1ccccc1 83777559 168398938 /nfs/dbraw/zinc/39/89/38/168398938.db2.gz GLLXHCDEEGVYPY-ZYHUDNBSSA-N 1 0 193.290 1.575 50 0 in-vitro ADAARO C[C@@H](O)c1ccc(C[NH3+])cc1 19779803 168398951 /nfs/dbraw/zinc/39/89/51/168398951.db2.gz RIYYBTSTPIEMBD-SSDOTTSWSA-N 1 0 151.209 1.199 50 0 in-vitro ADAARO C[C@@H](O)[C@](C)(C[NH3+])Cc1ccccc1 83777557 168399226 /nfs/dbraw/zinc/39/92/26/168399226.db2.gz GLLXHCDEEGVYPY-PWSUYJOCSA-N 1 0 193.290 1.575 50 0 in-vitro ADAARO C[C@@H](O)[C@H]([NH3+])c1ccccc1F 41168221 168399651 /nfs/dbraw/zinc/39/96/51/168399651.db2.gz DWXYPVJJOLRWQJ-MUWHJKNJSA-N 1 0 169.199 1.206 50 0 ADAARO C[C@@H](c1ccccc1)[C@H](O)C[NH3+] 41046469 168407272 /nfs/dbraw/zinc/40/72/72/168407272.db2.gz XJOFUFBSSUXTFV-WCBMZHEXSA-N 1 0 165.236 1.110 50 0 ADAARO C[C@@H](c1ccccn1)N1CC[NH2+]CC1 22867484 168407431 /nfs/dbraw/zinc/40/74/31/168407431.db2.gz DIXGJFCTPBJAFG-JTQLQIEISA-N 1 0 191.278 1.048 50 0 in-vitro ADAARO C[C@@H](c1ccccn1)N(C)CC[NH3+] 54416928 168407529 /nfs/dbraw/zinc/40/75/29/168407529.db2.gz LIAIDVWIJAYOKO-VIFPVBQESA-N 1 0 179.267 1.033 50 0 ADAARO C[C@@H]1C=C(N)[NH2+]N1c1ccccc1 103746675 168408237 /nfs/dbraw/zinc/40/82/37/168408237.db2.gz NXLPRPBPDJSFNI-MRVPVSSYSA-N 1 0 175.235 1.200 50 0 ADAARO C[C@@H]1CC(C)(C)[NH2+]1 20596512 168412400 /nfs/dbraw/zinc/41/24/00/168412400.db2.gz ATTVJWQVBUVDOP-RXMQYKEDSA-N 1 0 99.177 1.147 50 0 in-vitro ADAARO C[C@@H]1CCCCC[NH2+]1 4801854 168413009 /nfs/dbraw/zinc/41/30/09/168413009.db2.gz LGONGMXQDFYGKU-SSDOTTSWSA-N 1 0 113.204 1.539 50 0 in-vitro ADAARO C[C@@H]1CCC(C)(C)[NH2+]1 71372411 168413640 /nfs/dbraw/zinc/41/36/40/168413640.db2.gz KYJPHSGZNHRHDB-ZCFIWIBFSA-N 1 0 113.204 1.537 50 0 ADAARO C[C@@H]1CCCC[C@@H]1[NH3+] 1641409 168416266 /nfs/dbraw/zinc/41/62/66/168416266.db2.gz FEUISMYEFPANSS-RQJHMYQMSA-N 1 0 113.204 1.524 50 0 ADAARO C[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 248094379 168416332 /nfs/dbraw/zinc/41/63/32/168416332.db2.gz XDYHGXBDWIRBKU-ZJUUUORDSA-N 1 0 168.284 1.223 50 0 ADAARO C[C@@H]1CCCN(C[C@@H]2CCC[NH2+]2)C1 39141027 168418707 /nfs/dbraw/zinc/41/87/07/168418707.db2.gz COQYUGZWIWLLRG-MNOVXSKESA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO C[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 42783301 168419265 /nfs/dbraw/zinc/41/92/65/168419265.db2.gz KPZUTWRAYCDKMP-NXEZZACHSA-N 1 0 168.284 1.080 50 0 ADAARO C[C@@H]1CCCN(C[C@H]2CCCC[NH2+]2)C1 242723193 168421060 /nfs/dbraw/zinc/42/10/60/168421060.db2.gz YFVFCHMUBAYVAT-VXGBXAGGSA-N 1 0 196.338 1.860 50 0 in-vitro ADAARO C[C@@H]1CCC[NH2+]C[C@@H]1C 80264402 168421888 /nfs/dbraw/zinc/42/18/88/168421888.db2.gz BHFDQNIUOIAOMM-SFYZADRCSA-N 1 0 127.231 1.642 50 0 ADAARO C[C@@H]1CCC[NH2+]C1 1559667 168423162 /nfs/dbraw/zinc/42/31/62/168423162.db2.gz JEGMWWXJUXDNJN-ZCFIWIBFSA-N 1 0 99.177 1.006 50 0 in-vitro ADAARO C[C@@H]1CCC[C@@H]([NH+]2CCOCC2)C1 23550028 168425440 /nfs/dbraw/zinc/42/54/40/168425440.db2.gz XYFQRZLHYHHVIQ-GHMZBOCLSA-N 1 0 183.295 1.897 50 0 ADAARO C[C@@H]1CCC[C@@H]1C[NH3+] 36294392 168425868 /nfs/dbraw/zinc/42/58/68/168425868.db2.gz AXJPIFGJTJJDJR-RNFRBKRXSA-N 1 0 113.204 1.381 50 0 in-vitro ADAARO C[C@@H]1CCC[C@H]([NH3+])CC1 60311026 168426178 /nfs/dbraw/zinc/42/61/78/168426178.db2.gz SFEOFFIWPWOBFJ-SFYZADRCSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO C[C@@H]1CCC[C@H](C2CC2)[NH2+]1 18879387 168426638 /nfs/dbraw/zinc/42/66/38/168426638.db2.gz PLCIYGHHBGNHLZ-VXNVDRBHSA-N 1 0 139.242 1.927 50 0 ADAARO C[C@@H]1CC[NH2+]C[C@@H]1C 34301042 168434406 /nfs/dbraw/zinc/43/44/06/168434406.db2.gz YNKUJUOSWZNSJW-RQJHMYQMSA-N 1 0 113.204 1.252 50 0 in-vitro ADAARO C[C@@H]1CC[NH2+]CC1(C)C 95348399 168434787 /nfs/dbraw/zinc/43/47/87/168434787.db2.gz VXHWPIAGYKZENK-SSDOTTSWSA-N 1 0 127.231 1.642 50 0 in-vitro ADAARO C[C@@H]1CC[NH2+][C@@H]1C 51953870 168435067 /nfs/dbraw/zinc/43/50/67/168435067.db2.gz ZKCLHJUZGZWTNA-PHDIDXHHSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO C[C@@H]1CC[NH2+]C1(C)C 51954791 168435322 /nfs/dbraw/zinc/43/53/22/168435322.db2.gz JARCPRULXFKTBE-ZCFIWIBFSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[C@@H]1CC[NH2+]C[C@@H]1n1ccnc1 75772061 168435745 /nfs/dbraw/zinc/43/57/45/168435745.db2.gz SAKIRPGKBFEANV-BDAKNGLRSA-N 1 0 165.240 1.054 50 0 in-vitro ADAARO C[C@@H]1CC[NH2+]CC12CCC2 88613832 168435791 /nfs/dbraw/zinc/43/57/91/168435791.db2.gz RBFKADPKAMWGKG-MRVPVSSYSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO C[C@@H]1CC[C@@H](C[NH3+])C1 70621822 168436029 /nfs/dbraw/zinc/43/60/29/168436029.db2.gz KVGLUIXQRLCKPF-RNFRBKRXSA-N 1 0 113.204 1.381 50 0 in-vitro ADAARO C[C@@H]1CC[C@@H](C)[C@H]([NH3+])C1 4536512 168436500 /nfs/dbraw/zinc/43/65/00/168436500.db2.gz JDDGZKNTHGVZTQ-BWZBUEFSSA-N 1 0 127.231 1.770 50 0 ADAARO C[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 70632665 168437730 /nfs/dbraw/zinc/43/77/30/168437730.db2.gz XYPLIXZKIGGOEU-PHDIDXHHSA-N 1 0 167.174 1.937 50 0 in-vitro ADAARO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[NH2+]1 299805465 168441145 /nfs/dbraw/zinc/44/11/45/168441145.db2.gz PJTBLEVEWWCANQ-BDAKNGLRSA-N 1 0 199.294 1.716 50 0 ADAARO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[NH2+]2)C1 238854669 168441574 /nfs/dbraw/zinc/44/15/74/168441574.db2.gz OTTRXXKJZPYVOE-KXNHARMFSA-N 1 0 197.322 1.926 50 0 in-vitro ADAARO C[C@@H]1CC[C@]2(CC[NH2+]C2)C1 70621847 168443829 /nfs/dbraw/zinc/44/38/29/168443829.db2.gz RBDQSWLPPHOXEI-BDAKNGLRSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 19851372 168450101 /nfs/dbraw/zinc/45/01/01/168450101.db2.gz QOFUDSPYJDXBOF-LLVKDONJSA-N 1 0 190.290 1.480 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]CCN1Cc1ccsc1 54374466 168454985 /nfs/dbraw/zinc/45/49/85/168454985.db2.gz ZJEUEVHNFYVACC-SECBINFHSA-N 1 0 196.319 1.542 50 0 ADAARO C[C@@H]1C[NH2+]C[C@H](C)C1 3861347 168455221 /nfs/dbraw/zinc/45/52/21/168455221.db2.gz IDWRJRPUIXRFRX-KNVOCYPGSA-N 1 0 113.204 1.252 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]CCC[C@@]1(O)C(F)(F)F 248095677 168455236 /nfs/dbraw/zinc/45/52/36/168455236.db2.gz XYNRXHIKRBEAIV-RQJHMYQMSA-N 1 0 197.200 1.299 50 0 ADAARO C[C@@H]1C[NH2+]C[C@@H](C)C1 3861348 168455771 /nfs/dbraw/zinc/45/57/71/168455771.db2.gz IDWRJRPUIXRFRX-BQBZGAKWSA-N 1 0 113.204 1.252 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]C2(CCCC2)O1 4106835 168455879 /nfs/dbraw/zinc/45/58/79/168455879.db2.gz LUWNADIZRVWPEH-SSDOTTSWSA-N 1 0 141.214 1.265 50 0 ADAARO C[C@@H]1C[NH+]=C(c2cccc(O)c2)N1 25723875 168456034 /nfs/dbraw/zinc/45/60/34/168456034.db2.gz AEHOWRYUNAJHNM-SSDOTTSWSA-N 1 0 176.219 1.131 50 0 ADAARO C[C@@H]1C[NH2+]CCC[C@H]1C 80264407 168456577 /nfs/dbraw/zinc/45/65/77/168456577.db2.gz BHFDQNIUOIAOMM-HTQZYQBOSA-N 1 0 127.231 1.642 50 0 ADAARO C[C@@H]1C[NH2+]CCc2ccccc21 28131777 168457090 /nfs/dbraw/zinc/45/70/90/168457090.db2.gz ZRPYKXHZFPGPRZ-SECBINFHSA-N 1 0 161.248 1.936 50 0 ADAARO C[C@@H]1C[NH2+][C@H](C)[C@H]1C 299805624 168457430 /nfs/dbraw/zinc/45/74/30/168457430.db2.gz YFZJBYQBYKUDMK-DSYKOEDSSA-N 1 0 113.204 1.250 50 0 ADAARO C[C@@H]1C[NH2+]C[C@H](c2ccccc2)O1 1656382 168457732 /nfs/dbraw/zinc/45/77/32/168457732.db2.gz OEIVXYYFUJADLC-MWLCHTKSSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@H](C)[C@H](C)C1 102240496 168458503 /nfs/dbraw/zinc/45/85/03/168458503.db2.gz QWCDTIOGQKLNHC-XLPZGREQSA-N 1 0 127.231 1.640 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@H](c2ccccc2)CO1 63003488 168458630 /nfs/dbraw/zinc/45/86/30/168458630.db2.gz NEQYKFXOOFIYJZ-KOLCDFICSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO C[C@@H]1C[C@@H]1c1ccc(C[NH3+])o1 22221776 168472553 /nfs/dbraw/zinc/47/25/53/168472553.db2.gz HHJHAYJSCJKLHL-SVRRBLITSA-N 1 0 151.209 1.862 50 0 in-vitro ADAARO C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 34741052 168472838 /nfs/dbraw/zinc/47/28/38/168472838.db2.gz ZJHBAERTGJSGHX-VGMNWLOBSA-N 1 0 139.242 1.927 50 0 in-vitro ADAARO C[C@@H]1C[C@H](O)[C@@H]2CCCC[C@H]2[NH2+]1 4028678 168475464 /nfs/dbraw/zinc/47/54/64/168475464.db2.gz JPJPPIBIZQCWDH-KYXWUPHJSA-N 1 0 169.268 1.288 50 0 biogenic ADAARO C[C@@H]1Cc2c(N)cccc2C[NH2+]1 82790858 168480186 /nfs/dbraw/zinc/48/01/86/168480186.db2.gz AOZYFYVPRWQFHD-SSDOTTSWSA-N 1 0 162.236 1.303 50 0 in-vitro ADAARO C[C@@H]1Cc2ccccc2N1CC[NH3+] 19278188 168480951 /nfs/dbraw/zinc/48/09/51/168480951.db2.gz RHHPLMVQTQHOJJ-SECBINFHSA-N 1 0 176.263 1.396 50 0 in-vitro ADAARO C[C@@H]1Cc2ccccc2C[NH2+]1 19928405 168481016 /nfs/dbraw/zinc/48/10/16/168481016.db2.gz UEKQPSAKUNXFHL-MRVPVSSYSA-N 1 0 147.221 1.721 50 0 in-vivo ADAARO C[C@@H]1Cc2cc(C[NH3+])ccc2O1 6678407 168481181 /nfs/dbraw/zinc/48/11/81/168481181.db2.gz HRICJDUBSORGIY-SSDOTTSWSA-N 1 0 163.220 1.469 50 0 in-vitro ADAARO C[C@@H]1Cc2ccccc2[C@H]1[NH3+] 39208862 168481372 /nfs/dbraw/zinc/48/13/72/168481372.db2.gz PTOLXLSYGKBIJB-XCBNKYQSSA-N 1 0 147.221 1.879 50 0 in-vitro ADAARO C[C@@H]1[NH2+]CCC[C@H]1C(=O)OC(C)(C)C 299805586 168483692 /nfs/dbraw/zinc/48/36/92/168483692.db2.gz WCPOCOGPKKHOIS-DTWKUNHWSA-N 1 0 199.294 1.716 50 0 ADAARO C[C@@H]1[NH2+]CC[C@@]1(O)c1ccccc1 33610590 168483853 /nfs/dbraw/zinc/48/38/53/168483853.db2.gz KYSHNBSPVIORLR-ONGXEEELSA-N 1 0 177.247 1.256 50 0 ADAARO C[C@@H]1[NH2+]CCS[C@@H]1C 68575861 168484161 /nfs/dbraw/zinc/48/41/61/168484161.db2.gz OSKSVESWLSCULX-NTSWFWBYSA-N 1 0 131.244 1.100 50 0 in-vitro ADAARO C[C@@H]1[NH2+]CCS[C@H]1C 68575854 168484309 /nfs/dbraw/zinc/48/43/09/168484309.db2.gz OSKSVESWLSCULX-WDSKDSINSA-N 1 0 131.244 1.100 50 0 in-vitro ADAARO C[C@@H]1[NH2+]CCO[C@H]1c1cccc(F)c1 82898811 168485664 /nfs/dbraw/zinc/48/56/64/168485664.db2.gz VHYVKJAQSJCYCK-GZMMTYOYSA-N 1 0 195.237 1.875 50 0 in-vitro ADAARO C[C@@H]1[C@@H](NC(N)=[NH2+])CCC[C@H]1C 245285212 168490266 /nfs/dbraw/zinc/49/02/66/168490266.db2.gz WKZQSPQMDKGHLK-CSMHCCOUSA-N 1 0 169.272 1.294 50 0 ADAARO C[C@@](C[NH3+])(CO)Cc1ccccc1 11978688 168494054 /nfs/dbraw/zinc/49/40/54/168494054.db2.gz DRULCCSBUUFWTF-LLVKDONJSA-N 1 0 179.263 1.186 50 0 in-vitro ADAARO C[C@@]1(C(=O)NC2CCCC2)CCC[NH2+]1 19686130 168497785 /nfs/dbraw/zinc/49/77/85/168497785.db2.gz WNWXMODVLMMIOV-NSHDSACASA-N 1 0 196.294 1.187 50 0 ADAARO C[C@@]1([NH3+])CC=CCC1 39118459 168501141 /nfs/dbraw/zinc/50/11/41/168501141.db2.gz NVKYTEFUHURNDB-SSDOTTSWSA-N 1 0 111.188 1.444 50 0 ADAARO C[C@@]1(F)CCCC[NH2+]C1 238851166 168501915 /nfs/dbraw/zinc/50/19/15/168501915.db2.gz FPYOSODGQJUIBF-SSDOTTSWSA-N 1 0 131.194 1.488 50 0 ADAARO C[C@@]1(c2ccc(F)c(F)c2)C[C@H]1[NH3+] 52126171 168502582 /nfs/dbraw/zinc/50/25/82/168502582.db2.gz CYEXEDSBRZSYHU-ZJUUUORDSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@@]1(c2cc(F)ccc2F)C[C@H]1[NH3+] 52126339 168503414 /nfs/dbraw/zinc/50/34/14/168503414.db2.gz DWMCDWNCRGQBGV-ZJUUUORDSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 38526294 168503842 /nfs/dbraw/zinc/50/38/42/168503842.db2.gz SSWHTEXLCLEUBQ-GFCCVEGCSA-N 1 0 191.274 1.643 50 0 in-vitro ADAARO C[C@@]12C[NH2+]CC[C@@H]1C2(F)F 96361358 168505621 /nfs/dbraw/zinc/50/56/21/168505621.db2.gz HHJXUWXELJIINZ-NTSWFWBYSA-N 1 0 147.168 1.251 50 0 ADAARO C[C@@]12CC[C@@H](C[C@H]1[NH3+])C2 34115128 168505977 /nfs/dbraw/zinc/50/59/77/168505977.db2.gz AULUBMWNGZONOY-RNJXMRFFSA-N 1 0 125.215 1.524 50 0 ADAARO C[C@@]12CC[NH2+]C[C@@H]1C2(Cl)Cl 225392394 168506351 /nfs/dbraw/zinc/50/63/51/168506351.db2.gz YHVKEEDOKZTHIS-NTSWFWBYSA-N 1 0 180.078 1.790 50 0 in-vitro ADAARO C[C@H](CCO)[NH2+]Cc1ccccc1 38916352 168526221 /nfs/dbraw/zinc/52/62/21/168526221.db2.gz DYGQWKBWKAFSBR-SNVBAGLBSA-N 1 0 179.263 1.547 50 0 in-vitro ADAARO C[C@H](C[NH3+])Cc1ccccc1 11974909 168530578 /nfs/dbraw/zinc/53/05/78/168530578.db2.gz SVBLNCJETIXIPV-VIFPVBQESA-N 1 0 149.237 1.824 50 0 ADAARO C[C@H](C[NH3+])N(C)c1ccccc1 19092271 168530892 /nfs/dbraw/zinc/53/08/92/168530892.db2.gz MTGWEQNAYMYQLM-SECBINFHSA-N 1 0 164.252 1.470 50 0 in-vitro ADAARO C[C@H](C[NH3+])Oc1cccc(N(C)C)c1 2513185 168531557 /nfs/dbraw/zinc/53/15/57/168531557.db2.gz KIGBAFDNIUNIRG-SECBINFHSA-N 1 0 194.278 1.479 50 0 in-vitro ADAARO C[C@H](C[NH3+])Oc1ccccc1 2582021 168532534 /nfs/dbraw/zinc/53/25/34/168532534.db2.gz UDRPWKSZPLYUMD-MRVPVSSYSA-N 1 0 151.209 1.413 50 0 in-vitro ADAARO C[C@H](C[NH3+])Oc1ccccc1F 43514142 168532645 /nfs/dbraw/zinc/53/26/45/168532645.db2.gz TYIRFITUACUYQZ-SSDOTTSWSA-N 1 0 169.199 1.552 50 0 in-vitro ADAARO C[C@H](C[NH3+])c1ccccc1 1506854 168532674 /nfs/dbraw/zinc/53/26/74/168532674.db2.gz AXORVIZLPOGIRG-MRVPVSSYSA-N 1 0 135.210 1.749 50 0 in-vitro ADAARO C[C@H](CO)C[NH+]1CCCCC1 5735116 168535498 /nfs/dbraw/zinc/53/54/98/168535498.db2.gz OYKSDWPYPAQPRX-VIFPVBQESA-N 1 0 157.257 1.101 50 0 in-vitro ADAARO C[C@H](Cc1ccc(O)cc1)[NH+](C)C 347524 168538436 /nfs/dbraw/zinc/53/84/36/168538436.db2.gz OKQXTKNGCAQTIS-SECBINFHSA-N 1 0 179.263 1.885 50 0 ADAARO C[C@H]([NH3+])C(=O)c1ccc(F)cc1F 71499635 168543420 /nfs/dbraw/zinc/54/34/20/168543420.db2.gz RIYPWWKLGKYLSG-YFKPBYRVSA-N 1 0 185.173 1.495 50 0 ADAARO C[C@H]([NH3+])C1(C)CC1 20282375 168544050 /nfs/dbraw/zinc/54/40/50/168544050.db2.gz DOAMTLHAIDSDBV-YFKPBYRVSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO C[C@H]([NH3+])C1CCC1 20444025 168544118 /nfs/dbraw/zinc/54/41/18/168544118.db2.gz GDGHPMLCHFTAIY-YFKPBYRVSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO C[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1 4312880 168545998 /nfs/dbraw/zinc/54/59/98/168545998.db2.gz WWTNMZYJTWPQKY-LURJTMIESA-N 1 0 198.653 1.626 50 0 in-vitro ADAARO C[C@H]([NH3+])CC(=O)c1ccccc1 75772040 168546521 /nfs/dbraw/zinc/54/65/21/168546521.db2.gz GSIGIINQHDSADO-QMMMGPOBSA-N 1 0 163.220 1.607 50 0 in-vitro ADAARO C[C@H]([NH3+])COc1ccc(F)cc1 19259135 168547845 /nfs/dbraw/zinc/54/78/45/168547845.db2.gz SHHSHEWVMNXSKZ-ZETCQYMHSA-N 1 0 169.199 1.552 50 0 in-vitro ADAARO C[C@H]([NH3+])C[C@@H](O)c1ccc(F)cc1 79106062 168548082 /nfs/dbraw/zinc/54/80/82/168548082.db2.gz UIXSIOQBLTVBSC-OIBJUYFYSA-N 1 0 183.226 1.596 50 0 ADAARO C[C@H]([NH3+])CC[C@@H]1CCCO1 4843956 168548129 /nfs/dbraw/zinc/54/81/29/168548129.db2.gz IKLKXPGCAFBANO-YUMQZZPRSA-N 1 0 143.230 1.293 50 0 in-vitro ADAARO C[C@H]([NH3+])C[C@@H](O)c1ccccc1 75546822 168548712 /nfs/dbraw/zinc/54/87/12/168548712.db2.gz IRZOOZVKGLADMX-WCBMZHEXSA-N 1 0 165.236 1.457 50 0 ADAARO C[C@H]([NH3+])CCc1cccn1C 71373326 168548832 /nfs/dbraw/zinc/54/88/32/168548832.db2.gz XVKRHROYXMXJKI-QMMMGPOBSA-N 1 0 152.241 1.305 50 0 in-vitro ADAARO C[C@H]([NH3+])COc1ccccc1 1673610 168549021 /nfs/dbraw/zinc/54/90/21/168549021.db2.gz IKYFHRVPKIFGMH-QMMMGPOBSA-N 1 0 151.209 1.413 50 0 in-vitro ADAARO C[C@H]([NH3+])COCc1ccccc1 1649056 168549084 /nfs/dbraw/zinc/54/90/84/168549084.db2.gz HYUZZQIAJWNRAQ-VIFPVBQESA-N 1 0 165.236 1.550 50 0 in-vitro ADAARO C[C@H]([NH3+])Cc1ccc2c(c1)CCO2 3651176 168550431 /nfs/dbraw/zinc/55/04/31/168550431.db2.gz PZTJXZKNTPCPJL-QMMMGPOBSA-N 1 0 177.247 1.511 50 0 in-vitro ADAARO C[C@H]([NH3+])C[C@H](O)c1ccco1 75110684 168550607 /nfs/dbraw/zinc/55/06/07/168550607.db2.gz WAFBZZZRVPRDGT-BQBZGAKWSA-N 1 0 155.197 1.050 50 0 in-vitro ADAARO C[C@H]([NH3+])Cc1ccc2c(c1)OCC2 3651181 168550711 /nfs/dbraw/zinc/55/07/11/168550711.db2.gz VRNGXHJGMCJRSQ-QMMMGPOBSA-N 1 0 177.247 1.511 50 0 in-vitro ADAARO C[C@H]([NH3+])Cc1ccoc1 44068877 168551186 /nfs/dbraw/zinc/55/11/86/168551186.db2.gz PLXMPVWLDQPMCC-LURJTMIESA-N 1 0 125.171 1.169 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H](c1ccccc1)N(C)C 42900854 168551623 /nfs/dbraw/zinc/55/16/23/168551623.db2.gz LMTBPLOIFJDYEV-ONGXEEELSA-N 1 0 178.279 1.637 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H](C)NC(=O)OC(C)(C)C 72208897 168551631 /nfs/dbraw/zinc/55/16/31/168551631.db2.gz FUICJLZUPZOTSL-NKWVEPMBSA-N 1 0 188.271 1.247 50 0 ADAARO C[C@H]([NH3+])[C@@H]1COc2ccccc2O1 3683933 168552513 /nfs/dbraw/zinc/55/25/13/168552513.db2.gz AANTWDPFFAREMQ-XVKPBYJWSA-N 1 0 179.219 1.174 50 0 ADAARO C[C@H]([NH3+])[C@@H]1COc2ccccc21 83255001 168552801 /nfs/dbraw/zinc/55/28/01/168552801.db2.gz JSAWVKCPAYDQPL-CBAPKCEASA-N 1 0 163.220 1.510 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H]1OCCc2sccc21 205017235 168553094 /nfs/dbraw/zinc/55/30/94/168553094.db2.gz LVPYWMBNEWEIQH-RCOVLWMOSA-N 1 0 183.276 1.709 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@H](O)c1cccc(Cl)c1 20216857 168553221 /nfs/dbraw/zinc/55/32/21/168553221.db2.gz OYGPLKFNQHPTBG-RCOVLWMOSA-N 1 0 185.654 1.721 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@H](C)Oc1ccccc1 39643016 168553562 /nfs/dbraw/zinc/55/35/62/168553562.db2.gz ZJZBQXXUDKGJOZ-IUCAKERBSA-N 1 0 165.236 1.801 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@H](O)c1ccccc1F 20216967 168553705 /nfs/dbraw/zinc/55/37/05/168553705.db2.gz VJXSWZWBWCAQRD-RCOVLWMOSA-N 1 0 169.199 1.206 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@H](O)C1CCCCC1 22116404 168553844 /nfs/dbraw/zinc/55/38/44/168553844.db2.gz GOHOUZHYROOFRU-CBAPKCEASA-N 1 0 157.257 1.275 50 0 ADAARO C[C@H]([NH3+])[C@H](O)c1ccc(F)c(F)c1 20216761 168553860 /nfs/dbraw/zinc/55/38/60/168553860.db2.gz AZGOCEZNGANRJF-CDUCUWFYSA-N 1 0 187.189 1.345 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@H]1COc2ccccc2O1 197682 168554006 /nfs/dbraw/zinc/55/40/06/168554006.db2.gz AANTWDPFFAREMQ-OIBJUYFYSA-N 1 0 179.219 1.174 50 0 ADAARO C[C@H]([NH3+])[C@H]1C[C@H]2CC[C@@H]1C2 2528447 168554279 /nfs/dbraw/zinc/55/42/79/168554279.db2.gz LPUCHTNHUHOTRY-RBXMUDONSA-N 1 0 139.242 1.770 50 0 ADAARO C[C@H]([NH3+])[C@H]1OCCc2sccc21 117841785 168554333 /nfs/dbraw/zinc/55/43/33/168554333.db2.gz LVPYWMBNEWEIQH-IMTBSYHQSA-N 1 0 183.276 1.709 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@H]1COc2ccccc21 83255004 168554360 /nfs/dbraw/zinc/55/43/60/168554360.db2.gz JSAWVKCPAYDQPL-IONNQARKSA-N 1 0 163.220 1.510 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@H](O)c1ccc(Cl)cc1 4240136 168554361 /nfs/dbraw/zinc/55/43/61/168554361.db2.gz LTOCGMHUCZEAMG-RCOVLWMOSA-N 1 0 185.654 1.721 50 0 ADAARO C[C@H]([NH3+])[C@](C)(O)c1ccccc1 1847096 168554385 /nfs/dbraw/zinc/55/43/85/168554385.db2.gz XWXGOKGZVMEGGA-WPRPVWTQSA-N 1 0 165.236 1.241 50 0 ADAARO C[C@H]([NH3+])c1ccc2c(c1)CCN2 75845035 168554761 /nfs/dbraw/zinc/55/47/61/168554761.db2.gz UQROIBMQDWLVQU-ZETCQYMHSA-N 1 0 162.236 1.674 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc(Cl)nc1 34741462 168554973 /nfs/dbraw/zinc/55/49/73/168554973.db2.gz OZVNENIAEVSUDT-YFKPBYRVSA-N 1 0 156.616 1.755 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cc(F)ccc1N(C)C 19872737 168555032 /nfs/dbraw/zinc/55/50/32/168555032.db2.gz AXTDJCWTDXAMFC-ZETCQYMHSA-N 1 0 182.242 1.911 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc2c(c1)OCCCO2 6667680 168555034 /nfs/dbraw/zinc/55/50/34/168555034.db2.gz ZKYATSWXTBXDHA-QMMMGPOBSA-N 1 0 193.246 1.868 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc(CO)cc1 83591042 168555054 /nfs/dbraw/zinc/55/50/54/168555054.db2.gz OIXCLGWYBYGSBI-ZETCQYMHSA-N 1 0 151.209 1.199 50 0 ADAARO C[C@H]([NH3+])c1ccc2c(c1)CCC(=O)N2 19968161 168555062 /nfs/dbraw/zinc/55/50/62/168555062.db2.gz UTNPVXXOXLTSKW-ZETCQYMHSA-N 1 0 190.246 1.591 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc(O)c(F)c1 20551051 168556017 /nfs/dbraw/zinc/55/60/17/168556017.db2.gz VWURQMSCABRCTE-YFKPBYRVSA-N 1 0 155.172 1.551 50 0 ADAARO C[C@H]([NH3+])c1ccc(-n2ccnn2)cc1 82391310 168556022 /nfs/dbraw/zinc/55/60/22/168556022.db2.gz JIVBNQRFYJHWPQ-QMMMGPOBSA-N 1 0 188.234 1.287 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccccc1N(C)C 19872744 168556400 /nfs/dbraw/zinc/55/64/00/168556400.db2.gz CCKNJZLEZJEYDL-QMMMGPOBSA-N 1 0 164.252 1.772 50 0 ADAARO C[C@H]([NH3+])c1ccns1 73657686 168556623 /nfs/dbraw/zinc/55/66/23/168556623.db2.gz YASLCOVGVSMIMR-BYPYZUCNSA-N 1 0 128.200 1.163 50 0 ADAARO C[C@H]([NH3+])c1cccn1C 11848686 168556704 /nfs/dbraw/zinc/55/67/04/168556704.db2.gz GXGXFSZNJFMNBT-LURJTMIESA-N 1 0 124.187 1.045 50 0 ADAARO C[C@H]([NH3+])c1ccccc1F 2598068 168556928 /nfs/dbraw/zinc/55/69/28/168556928.db2.gz DIWHJJUFVGEXGS-LURJTMIESA-N 1 0 139.173 1.845 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cccc(-n2cccn2)c1 20412656 168557387 /nfs/dbraw/zinc/55/73/87/168557387.db2.gz JQOGBUDCDGYZOY-VIFPVBQESA-N 1 0 187.246 1.892 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cnn(-c2ccccc2)c1 2559645 168557389 /nfs/dbraw/zinc/55/73/89/168557389.db2.gz IOAUCNVBBMEIQG-VIFPVBQESA-N 1 0 187.246 1.892 50 0 in-vitro ADAARO C[C@H](NC(N)=[NH2+])c1ccccc1 1571111 168561528 /nfs/dbraw/zinc/56/15/28/168561528.db2.gz KDEAYTOFKXHILE-ZETCQYMHSA-N 1 0 163.224 1.231 50 0 ADAARO C[C@H]([NH2+]C1CC1)C1CC1 20282035 168563139 /nfs/dbraw/zinc/56/31/39/168563139.db2.gz LZSVPZOUKYTYLN-LURJTMIESA-N 1 0 125.215 1.537 50 0 in-vitro ADAARO C[C@H]([NH2+]CC1CC1)C1CC1 19884833 168565261 /nfs/dbraw/zinc/56/52/61/168565261.db2.gz ZVTQPFPLLJTHKG-ZETCQYMHSA-N 1 0 139.242 1.785 50 0 in-vitro ADAARO C[C@H]([NH2+]CCO)C(C)(C)C 80641322 168566951 /nfs/dbraw/zinc/56/69/51/168566951.db2.gz NPMDESBOOBJXIP-ZETCQYMHSA-N 1 0 145.246 1.003 50 0 in-vitro ADAARO C[C@H](O)C[NH2+][C@@H]1CCC[C@H](C)C1 268956 168579328 /nfs/dbraw/zinc/57/93/28/168579328.db2.gz NRPGTWMBGPTPRM-LPEHRKFASA-N 1 0 171.284 1.536 50 0 ADAARO C[C@H](O)C[NH2+]C1CCCCC1 409877 168579812 /nfs/dbraw/zinc/57/98/12/168579812.db2.gz HFHPBMVMXFZJNO-QMMMGPOBSA-N 1 0 157.257 1.290 50 0 ADAARO C[C@H](O)C[C@H](C[NH3+])c1ccccc1 75110640 168582051 /nfs/dbraw/zinc/58/20/51/168582051.db2.gz QYQVQEZLGDQAMY-GXSJLCMTSA-N 1 0 179.263 1.500 50 0 in-vitro ADAARO C[C@H](O)C[C@@H]1CCCCC[NH2+]1 86454024 168582068 /nfs/dbraw/zinc/58/20/68/168582068.db2.gz ODOKIGUNVGCUOY-IUCAKERBSA-N 1 0 157.257 1.290 50 0 in-vitro ADAARO C[C@H](O)[C@@](C)(C[NH3+])Cc1ccccc1 83777558 168585209 /nfs/dbraw/zinc/58/52/09/168585209.db2.gz GLLXHCDEEGVYPY-CMPLNLGQSA-N 1 0 193.290 1.575 50 0 in-vitro ADAARO C[C@H](OC[C@H](O)C[NH3+])c1ccccc1 19387532 168587918 /nfs/dbraw/zinc/58/79/18/168587918.db2.gz SKGOONNUQSISGC-GXSJLCMTSA-N 1 0 195.262 1.084 50 0 in-vitro ADAARO C[C@H](Oc1ccccc1)[C@@H](C)[NH3+] 39643017 168588157 /nfs/dbraw/zinc/58/81/57/168588157.db2.gz ZJZBQXXUDKGJOZ-BDAKNGLRSA-N 1 0 165.236 1.801 50 0 in-vitro ADAARO C[C@H](c1ccccc1)N1CC[NH2+]CC1 19735208 168589507 /nfs/dbraw/zinc/58/95/07/168589507.db2.gz PYBNQKSXWAIBKN-LLVKDONJSA-N 1 0 190.290 1.653 50 0 in-vitro ADAARO C[C@H]([C@H](O)c1ccccc1)[NH+](C)C 155911 168590177 /nfs/dbraw/zinc/59/01/77/168590177.db2.gz FMCGSUUBYTWNDP-KOLCDFICSA-N 1 0 179.263 1.670 50 0 biogenic,world ADAARO C[C@H](c1nccs1)N1CC[NH2+]CC1 43220350 168590559 /nfs/dbraw/zinc/59/05/59/168590559.db2.gz SMEYOPZGSIPUGP-MRVPVSSYSA-N 1 0 197.307 1.109 50 0 in-vitro ADAARO C[C@H](c1ccccc1)[C@@H](O)C[NH3+] 41046472 168590881 /nfs/dbraw/zinc/59/08/81/168590881.db2.gz XJOFUFBSSUXTFV-SCZZXKLOSA-N 1 0 165.236 1.110 50 0 ADAARO C[C@H](c1cccs1)N1CC[NH2+]CC1 20264229 168591359 /nfs/dbraw/zinc/59/13/59/168591359.db2.gz JUNYFCJKJIBFBK-SECBINFHSA-N 1 0 196.319 1.714 50 0 in-vitro ADAARO C[C@H](c1ccccn1)N1CC[NH2+]CC1 22867489 168591372 /nfs/dbraw/zinc/59/13/72/168591372.db2.gz DIXGJFCTPBJAFG-SNVBAGLBSA-N 1 0 191.278 1.048 50 0 in-vitro ADAARO C[C@H](c1ccsc1)N1CC[NH2+]CC1 22129321 168591473 /nfs/dbraw/zinc/59/14/73/168591473.db2.gz HOEYHUPGLXCVAK-SECBINFHSA-N 1 0 196.319 1.714 50 0 in-vitro ADAARO C[C@H](c1ccccn1)N(C)CC[NH3+] 54416929 168591510 /nfs/dbraw/zinc/59/15/10/168591510.db2.gz LIAIDVWIJAYOKO-SECBINFHSA-N 1 0 179.267 1.033 50 0 ADAARO C[C@H]1CC(C)(C)[NH2+]1 20596513 168595806 /nfs/dbraw/zinc/59/58/06/168595806.db2.gz ATTVJWQVBUVDOP-YFKPBYRVSA-N 1 0 99.177 1.147 50 0 in-vitro ADAARO C[C@H]1CCC(C)(C)[NH2+]1 71372413 168597797 /nfs/dbraw/zinc/59/77/97/168597797.db2.gz KYJPHSGZNHRHDB-LURJTMIESA-N 1 0 113.204 1.537 50 0 ADAARO C[C@H]1CCCC[N@@H+]1CC(=O)NC1CC1 16957857 168598346 /nfs/dbraw/zinc/59/83/46/168598346.db2.gz GJVNOZWJECMCHY-VIFPVBQESA-N 1 0 196.294 1.139 50 0 ADAARO C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]1 19409099 168599654 /nfs/dbraw/zinc/59/96/54/168599654.db2.gz WTPTXPITMDBKKO-UWVGGRQHSA-N 1 0 196.294 1.139 50 0 ADAARO C[C@H]1CCCC[NH2+]C1 34265425 168600106 /nfs/dbraw/zinc/60/01/06/168600106.db2.gz DSBOHBZVJVNQRR-ZETCQYMHSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO C[C@H]1CCCC[C@@H]1[NH3+] 1641408 168601762 /nfs/dbraw/zinc/60/17/62/168601762.db2.gz FEUISMYEFPANSS-BQBZGAKWSA-N 1 0 113.204 1.524 50 0 ADAARO C[C@H]1CCCC[C@H]1[NH3+] 1641406 168602119 /nfs/dbraw/zinc/60/21/19/168602119.db2.gz FEUISMYEFPANSS-NKWVEPMBSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO C[C@H]1CCCC[C@H]1OCC[NH3+] 19269698 168603067 /nfs/dbraw/zinc/60/30/67/168603067.db2.gz WVAVJUUVJFWPJM-DTWKUNHWSA-N 1 0 157.257 1.540 50 0 ADAARO C[C@H]1CCC[C@@H](C)[NH2+]1 1683616 168606761 /nfs/dbraw/zinc/60/67/61/168606761.db2.gz SDGKUVSVPIIUCF-KNVOCYPGSA-N 1 0 113.204 1.537 50 0 in-man ADAARO C[C@H]1CCC[C@@H](C)[C@@H]1[NH3+] 104566143 168608941 /nfs/dbraw/zinc/60/89/41/168608941.db2.gz KSGAAWJLYHYMLT-JIGDXULJSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO C[C@H]1CCC[C@H](C[NH3+])C1 37245861 168611139 /nfs/dbraw/zinc/61/11/39/168611139.db2.gz AVBFYDXLBKBKNT-YUMQZZPRSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO C[C@H]1CCC[C@H]([NH+]2CCOCC2)C1 23550031 168611620 /nfs/dbraw/zinc/61/16/20/168611620.db2.gz XYFQRZLHYHHVIQ-QWRGUYRKSA-N 1 0 183.295 1.897 50 0 ADAARO C[C@H]1CCC[C@H](C)[NH+]1CCO 35649811 168611674 /nfs/dbraw/zinc/61/16/74/168611674.db2.gz NJBXJPLWOZJAJJ-IUCAKERBSA-N 1 0 157.257 1.242 50 0 ADAARO C[C@H]1CCC[C@H]([NH2+]C[C@@H](C)O)C1 2510428 168613618 /nfs/dbraw/zinc/61/36/18/168613618.db2.gz NRPGTWMBGPTPRM-AEJSXWLSSA-N 1 0 171.284 1.536 50 0 ADAARO C[C@H]1CC[NH2+][C@@H](C)C1 4416147 168618579 /nfs/dbraw/zinc/61/85/79/168618579.db2.gz QOZOFODNIBQPGN-BQBZGAKWSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[C@H]1CC[NH2+]C[C@H]1C 34301045 168619538 /nfs/dbraw/zinc/61/95/38/168619538.db2.gz YNKUJUOSWZNSJW-NKWVEPMBSA-N 1 0 113.204 1.252 50 0 in-vitro ADAARO C[C@H]1CC[NH2+][C@@H]1C 51953871 168619580 /nfs/dbraw/zinc/61/95/80/168619580.db2.gz ZKCLHJUZGZWTNA-NTSWFWBYSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO C[C@H]1CC[NH2+][C@H](C)C1 1648180 168619932 /nfs/dbraw/zinc/61/99/32/168619932.db2.gz QOZOFODNIBQPGN-NKWVEPMBSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[C@H]1CC[C@@H](C[NH3+])C1 70621823 168622047 /nfs/dbraw/zinc/62/20/47/168622047.db2.gz KVGLUIXQRLCKPF-NKWVEPMBSA-N 1 0 113.204 1.381 50 0 in-vitro ADAARO C[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)C1 19642209 168622401 /nfs/dbraw/zinc/62/24/01/168622401.db2.gz WMUCTWTUVZDNEP-WDEREUQCSA-N 1 0 182.311 1.422 50 0 ADAARO C[C@H]1C[NH2+]C[C@@H](c2ccccc2)O1 1656379 168639513 /nfs/dbraw/zinc/63/95/13/168639513.db2.gz OEIVXYYFUJADLC-ONGXEEELSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO C[C@H]1C[NH2+]CCC[C@@]1(O)C(F)(F)F 248095663 168639679 /nfs/dbraw/zinc/63/96/79/168639679.db2.gz XYNRXHIKRBEAIV-BQBZGAKWSA-N 1 0 197.200 1.299 50 0 ADAARO C[C@H]1C[NH2+]CCC[C@]1(O)C(F)(F)F 248095671 168640221 /nfs/dbraw/zinc/64/02/21/168640221.db2.gz XYNRXHIKRBEAIV-NKWVEPMBSA-N 1 0 197.200 1.299 50 0 ADAARO C[C@H]1C[NH2+]C[C@@H](C)N1CC(F)(F)F 68939075 168640369 /nfs/dbraw/zinc/64/03/69/168640369.db2.gz ZQPXUDKLPKLWOX-KNVOCYPGSA-N 1 0 196.216 1.231 50 0 ADAARO C[C@H]1C[NH2+]CCC1(F)F 95147687 168640523 /nfs/dbraw/zinc/64/05/23/168640523.db2.gz ZNUSFHANDPUSAD-YFKPBYRVSA-N 1 0 135.157 1.251 50 0 in-vitro ADAARO C[C@H]1C[NH2+]C[C@]2(CCOC(C)(C)C2)O1 83472031 168641761 /nfs/dbraw/zinc/64/17/61/168641761.db2.gz IVGBCYBVACEZRK-GXSJLCMTSA-N 1 0 199.294 1.323 50 0 in-vitro ADAARO C[C@H]1CO[C@@H](c2ccccc2)C[NH2+]1 32007003 168645085 /nfs/dbraw/zinc/64/50/85/168645085.db2.gz LQHGEOIBMBXJGV-GXSJLCMTSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO C[C@H]1C[C@@H](F)CC[NH2+]1 213536031 168652091 /nfs/dbraw/zinc/65/20/91/168652091.db2.gz YKJGQFJFDSSLBX-WDSKDSINSA-N 1 0 117.167 1.096 50 0 ADAARO C[C@H]1C[C@@H]([NH3+])CCS1 75524156 168652241 /nfs/dbraw/zinc/65/22/41/168652241.db2.gz RLOPZAYMZJSOKM-WDSKDSINSA-N 1 0 131.244 1.229 50 0 ADAARO C[C@H]1C[C@H](CC[NH3+])CCO1 70535222 168660601 /nfs/dbraw/zinc/66/06/01/168660601.db2.gz XXBCFFVCEMIJMF-JGVFFNPUSA-N 1 0 143.230 1.150 50 0 in-vitro ADAARO C[C@H]1C[C@H]([NH3+])CN1c1ccccc1 71790381 168660715 /nfs/dbraw/zinc/66/07/15/168660715.db2.gz LKYAKEWXEUZGHO-UWVGGRQHSA-N 1 0 176.263 1.613 50 0 in-vitro ADAARO C[C@H]1C[C@H]([NH3+])CCS1 75524148 168660874 /nfs/dbraw/zinc/66/08/74/168660874.db2.gz RLOPZAYMZJSOKM-NTSWFWBYSA-N 1 0 131.244 1.229 50 0 ADAARO C[C@H]1Cc2ccccc2[C@@H]1[NH3+] 39208861 168667523 /nfs/dbraw/zinc/66/75/23/168667523.db2.gz PTOLXLSYGKBIJB-OIBJUYFYSA-N 1 0 147.221 1.879 50 0 in-vitro ADAARO C[C@H]1[NH2+]CCS[C@@H]1C 68575858 168668343 /nfs/dbraw/zinc/66/83/43/168668343.db2.gz OSKSVESWLSCULX-PHDIDXHHSA-N 1 0 131.244 1.100 50 0 in-vitro ADAARO C[C@H]1[NH2+]CC[C@@]1(O)c1ccccc1 33610591 168669501 /nfs/dbraw/zinc/66/95/01/168669501.db2.gz KYSHNBSPVIORLR-KOLCDFICSA-N 1 0 177.247 1.256 50 0 ADAARO C[C@H]1Oc2ccccc2C[C@H]1[NH+](C)C 2014913 168674169 /nfs/dbraw/zinc/67/41/69/168674169.db2.gz FDJAKSHVOONYHX-MWLCHTKSSA-N 1 0 191.274 1.940 50 0 in-man ADAARO C[C@H]1c2ccccc2C[C@H]1[NH3+] 39208855 168680125 /nfs/dbraw/zinc/68/01/25/168680125.db2.gz DOMIRQRGULWJML-OIBJUYFYSA-N 1 0 147.221 1.674 50 0 in-vitro ADAARO C[C@]([NH3+])(CO)C1CCCCC1 68577022 168681634 /nfs/dbraw/zinc/68/16/34/168681634.db2.gz QUERJNUDNIGFHV-VIFPVBQESA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO C[C@](O)(C[NH3+])Cc1ccsc1 85074875 168682922 /nfs/dbraw/zinc/68/29/22/168682922.db2.gz RDTNAGKLRVWBQO-MRVPVSSYSA-N 1 0 171.265 1.000 50 0 ADAARO C[C@](O)(CC[NH3+])c1ccccc1 62718185 168683633 /nfs/dbraw/zinc/68/36/33/168683633.db2.gz SYNOUHHTBQKYFU-JTQLQIEISA-N 1 0 165.236 1.243 50 0 in-vitro ADAARO C[C@](O)(C1CC[NH2+]CC1)C(F)(F)F 57219139 168683761 /nfs/dbraw/zinc/68/37/61/168683761.db2.gz CLMDMJJVIPEREU-ZETCQYMHSA-N 1 0 197.200 1.299 50 0 in-vitro ADAARO C[C@]1(CC[NH3+])C[C@]1(F)Cl 328579746 168685891 /nfs/dbraw/zinc/68/58/91/168685891.db2.gz ZIIVOBURUZZDOC-NTSWFWBYSA-N 1 0 151.612 1.650 50 0 ADAARO C[C@]1(F)CCCC[NH2+]C1 238851167 168686042 /nfs/dbraw/zinc/68/60/42/168686042.db2.gz FPYOSODGQJUIBF-ZETCQYMHSA-N 1 0 131.194 1.488 50 0 ADAARO C[C@]1(C[NH3+])CCO[C@H]1C1CC1 95829736 168686480 /nfs/dbraw/zinc/68/64/80/168686480.db2.gz METUSWSNAQNQDA-DTWKUNHWSA-N 1 0 155.241 1.150 50 0 in-vitro ADAARO C[C@]1(CC[NH3+])C[C@@]1(F)Cl 328579749 168686518 /nfs/dbraw/zinc/68/65/18/168686518.db2.gz ZIIVOBURUZZDOC-WDSKDSINSA-N 1 0 151.612 1.650 50 0 ADAARO C[C@]1(c2cccs2)C[C@H]1C[NH3+] 54587302 168689340 /nfs/dbraw/zinc/68/93/40/168689340.db2.gz VIJZEALGHWQUFF-CBAPKCEASA-N 1 0 167.277 1.984 50 0 in-vitro ADAARO C[C@]1(c2ccccc2F)C[C@H]1[NH3+] 52126256 168689341 /nfs/dbraw/zinc/68/93/41/168689341.db2.gz GGNQNFVNIBAWPQ-NXEZZACHSA-N 1 0 165.211 1.814 50 0 in-vitro ADAARO C[C@]1(c2ccc(F)c(F)c2)C[C@@H]1[NH3+] 52126168 168689535 /nfs/dbraw/zinc/68/95/35/168689535.db2.gz CYEXEDSBRZSYHU-VHSXEESVSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@]1(c2cc(F)ccc2F)C[C@H]1[NH3+] 52126338 168690140 /nfs/dbraw/zinc/69/01/40/168690140.db2.gz DWMCDWNCRGQBGV-NXEZZACHSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@]1(c2ccc(F)cc2F)C[C@@H]1[NH3+] 52126184 168690395 /nfs/dbraw/zinc/69/03/95/168690395.db2.gz DUIBNGGNQUACCM-VHSXEESVSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@]12CC=CC[C@@]1(C)C[NH2+]C2 43761806 168690576 /nfs/dbraw/zinc/69/05/76/168690576.db2.gz OHTIKQJNKRPIIL-AOOOYVTPSA-N 1 0 151.253 1.952 50 0 ADAARO C[C@]12CC[NH2+]C[C@H]1C2 95707879 168690685 /nfs/dbraw/zinc/69/06/85/168690685.db2.gz ZBMMYZWZFOMHSM-RNFRBKRXSA-N 1 0 111.188 1.006 50 0 ADAARO C[S@](=O)Cc1ccc(C[NH3+])cc1 82635504 168694601 /nfs/dbraw/zinc/69/46/01/168694601.db2.gz XEDKLQNRUFCKIS-GFCCVEGCSA-N 1 0 183.276 1.024 50 0 in-vitro ADAARO C[Si](C)(C)[NH+]1CCOCC1 169744505 168695170 /nfs/dbraw/zinc/69/51/70/168695170.db2.gz JJOWIQMPCCUIGA-UHFFFAOYSA-N 1 0 159.305 1.154 50 0 in-vitro ADAARO C[n+]1cccc2ccccc21 967297 168696185 /nfs/dbraw/zinc/69/61/85/168696185.db2.gz RTQPKEOYPPMVGQ-UHFFFAOYSA-N 1 0 144.197 1.664 50 0 ADAARO C[n+]1csc2ccccc21 124371 168697170 /nfs/dbraw/zinc/69/71/70/168697170.db2.gz UKJRKKQWBUZLPP-UHFFFAOYSA-N 1 0 150.226 1.726 50 0 in-vitro ADAARO Cn1c[n+](C(F)F)c2ccccc21 8711022 168697657 /nfs/dbraw/zinc/69/76/57/168697657.db2.gz QJWQYVOZHDRNHJ-UHFFFAOYSA-N 1 0 183.181 1.861 50 0 ADAARO Cc1nc[nH]c1C[NH2+]C(C)C 22861445 168700111 /nfs/dbraw/zinc/70/01/11/168700111.db2.gz BPZZSTFLYBNHIQ-UHFFFAOYSA-N 1 0 153.229 1.216 50 0 ADAARO Cc1c(C)n(C)ccc1=[NH2+] 334138923 168707307 /nfs/dbraw/zinc/70/73/07/168707307.db2.gz FIRYLOGXLIWCRS-UHFFFAOYSA-N 1 0 136.198 1.121 50 0 ADAARO Cc1cn[nH]c1[C@@H]1CCCC[NH2+]1 35605746 168721144 /nfs/dbraw/zinc/72/11/44/168721144.db2.gz JIPFWMGIDPXMJE-QMMMGPOBSA-N 1 0 165.240 1.533 50 0 ADAARO Cc1cn[nH]c1[C@H]1CCCC[NH2+]1 35605750 168722389 /nfs/dbraw/zinc/72/23/89/168722389.db2.gz JIPFWMGIDPXMJE-MRVPVSSYSA-N 1 0 165.240 1.533 50 0 ADAARO Cc1cc(-n2cccn2)ccc1C[NH3+] 50585097 168723468 /nfs/dbraw/zinc/72/34/68/168723468.db2.gz OFXBIFVUNLTQFM-UHFFFAOYSA-N 1 0 187.246 1.639 50 0 ADAARO Cc1cc(C(N)=[NH2+])c(C)o1 26898001 168730456 /nfs/dbraw/zinc/73/04/56/168730456.db2.gz JCXSPGAJCWJBOC-UHFFFAOYSA-N 1 0 138.170 1.181 50 0 in-vitro ADAARO Cc1cc(C)cc([C@@H]([NH3+])CO)c1 47868229 168744868 /nfs/dbraw/zinc/74/48/68/168744868.db2.gz WZFVOURVLDLEGP-JTQLQIEISA-N 1 0 165.236 1.296 50 0 ADAARO Cc1cc(C)cc(CC[NH3+])c1 1688166 168745529 /nfs/dbraw/zinc/74/55/29/168745529.db2.gz QXLUHUARYCYCMG-UHFFFAOYSA-N 1 0 149.237 1.805 50 0 in-vitro ADAARO Cc1cc(C)cc([C@@H](O)C[NH3+])c1 44419275 168745723 /nfs/dbraw/zinc/74/57/23/168745723.db2.gz ODOLMCVMBQOBPL-JTQLQIEISA-N 1 0 165.236 1.296 50 0 in-vitro ADAARO Cc1cc(C)n(C[C@H]2CCCC[NH2+]2)n1 43494229 168746846 /nfs/dbraw/zinc/74/68/46/168746846.db2.gz MKEUMBYEBAKUBA-LLVKDONJSA-N 1 0 193.294 1.642 50 0 in-vitro ADAARO Cc1cc(C)n([C@@H](C)C[NH3+])n1 818984 168747597 /nfs/dbraw/zinc/74/75/97/168747597.db2.gz SZPITZCIPRYHOB-QMMMGPOBSA-N 1 0 153.229 1.020 50 0 in-vitro ADAARO Cc1cc(C)n(CC2(C[NH3+])CC2)n1 19091842 168747721 /nfs/dbraw/zinc/74/77/21/168747721.db2.gz DNMCNCNPTCWTJX-UHFFFAOYSA-N 1 0 179.267 1.239 50 0 in-vitro ADAARO Cc1cc(C)n2cc(C[NH3+])nc2c1 20417272 168749323 /nfs/dbraw/zinc/74/93/23/168749323.db2.gz SKGZYIOXRGOANX-UHFFFAOYSA-N 1 0 175.235 1.410 50 0 ADAARO Cc1cc(C)n([C@H]2CCC[NH2+]C2)n1 42290512 168749474 /nfs/dbraw/zinc/74/94/74/168749474.db2.gz ASEORIJNAXUCCB-JTQLQIEISA-N 1 0 179.267 1.424 50 0 in-vitro ADAARO Cc1cc(C)nc(SCCC[NH3+])n1 11849355 168749757 /nfs/dbraw/zinc/74/97/57/168749757.db2.gz VNCAMVIEMNVYBZ-UHFFFAOYSA-N 1 0 197.307 1.534 50 0 ADAARO Cc1cc(C)nc([C@@H]2CCC[NH2+]C2)n1 19686322 168749869 /nfs/dbraw/zinc/74/98/69/168749869.db2.gz TXDMQQHSJFXXCR-SNVBAGLBSA-N 1 0 191.278 1.560 50 0 ADAARO Cc1cc(CC[NH3+])ccc1F 36180318 168753211 /nfs/dbraw/zinc/75/32/11/168753211.db2.gz PUIVXMFARTWFPL-UHFFFAOYSA-N 1 0 153.200 1.635 50 0 in-vitro ADAARO Cc1cc(C[C@@H]2CCC[C@@H]2[NH3+])on1 35316208 168758349 /nfs/dbraw/zinc/75/83/49/168758349.db2.gz WSHPYXKAVDBYFM-WPRPVWTQSA-N 1 0 180.251 1.653 50 0 ADAARO Cc1cc(C[C@H]2CCC[C@@H]2[NH3+])on1 35316209 168758603 /nfs/dbraw/zinc/75/86/03/168758603.db2.gz WSHPYXKAVDBYFM-SCZZXKLOSA-N 1 0 180.251 1.653 50 0 ADAARO Cc1cc(C[C@@H]2CCC[C@H]2[NH3+])on1 35316210 168758705 /nfs/dbraw/zinc/75/87/05/168758705.db2.gz WSHPYXKAVDBYFM-WCBMZHEXSA-N 1 0 180.251 1.653 50 0 ADAARO Cc1cc(Cl)ccc1OCC[NH3+] 2171893 168760984 /nfs/dbraw/zinc/76/09/84/168760984.db2.gz XRNJQYPOXIRDCV-UHFFFAOYSA-N 1 0 185.654 1.986 50 0 ADAARO Cc1cc(NC(=O)CC[NH3+])ccc1F 8732991 168768995 /nfs/dbraw/zinc/76/89/95/168768995.db2.gz PACFAMJVBAJQDE-UHFFFAOYSA-N 1 0 196.225 1.421 50 0 ADAARO Cc1cc(=O)cc([C@@H]2CC[NH2+]C2)[nH]1 19686856 168773980 /nfs/dbraw/zinc/77/39/80/168773980.db2.gz ZMADAYBEKMWRJZ-MRVPVSSYSA-N 1 0 178.235 1.173 50 0 ADAARO Cc1cc(=O)cc([C@H]2CC[NH2+]C2)[nH]1 19686858 168774941 /nfs/dbraw/zinc/77/49/41/168774941.db2.gz ZMADAYBEKMWRJZ-QMMMGPOBSA-N 1 0 178.235 1.173 50 0 ADAARO Cc1cc([C@H](O)CCC[NH3+])ccc1F 19674895 168783369 /nfs/dbraw/zinc/78/33/69/168783369.db2.gz HLJJDHJERDOKOP-LLVKDONJSA-N 1 0 197.253 1.906 50 0 ADAARO Cc1cc([C@H]2C[C@@H]3CC[C@H]2[NH2+]3)on1 38174984 168783853 /nfs/dbraw/zinc/78/38/53/168783853.db2.gz GEEFPQBPVBFCSD-XHNCKOQMSA-N 1 0 178.235 1.591 50 0 ADAARO Cc1cc2c(cn1)[C@@H]([NH3+])CC2 91691980 168788532 /nfs/dbraw/zinc/78/85/32/168788532.db2.gz PBXABNXTKKDGNE-VIFPVBQESA-N 1 0 148.209 1.336 50 0 in-vitro ADAARO Cc1cc2c(cn1)[C@H]([NH3+])CC2 91691981 168788625 /nfs/dbraw/zinc/78/86/25/168788625.db2.gz PBXABNXTKKDGNE-SECBINFHSA-N 1 0 148.209 1.336 50 0 in-vitro ADAARO Cc1cc2ccccc2c[n+]1CCO 45068999 168790535 /nfs/dbraw/zinc/79/05/35/168790535.db2.gz WYLIDNAQGODHOJ-UHFFFAOYSA-N 1 0 188.250 1.428 50 0 ADAARO Cc1ccc(C)c(NC(N)=[NH2+])c1 34936107 168804358 /nfs/dbraw/zinc/80/43/58/168804358.db2.gz MPOYNRALSJIIIR-UHFFFAOYSA-N 1 0 163.224 1.609 50 0 ADAARO Cc1ccc(C)n1-[n+]1ccccc1 5417570 168806474 /nfs/dbraw/zinc/80/64/74/168806474.db2.gz REVKTRHIULAZRF-UHFFFAOYSA-N 1 0 173.239 1.704 50 0 ADAARO Cc1ccc(C2=[NH+]CCN2)cc1 1641623 168808625 /nfs/dbraw/zinc/80/86/25/168808625.db2.gz VDGKMJYQQUTBQD-UHFFFAOYSA-N 1 0 160.220 1.345 50 0 in-vivo ADAARO Cc1ccc(CCC[NH3+])cc1 9245904 168810579 /nfs/dbraw/zinc/81/05/79/168810579.db2.gz NUWCDHQYCLUEDS-UHFFFAOYSA-N 1 0 149.237 1.886 50 0 ADAARO Cc1ccc(C[NH3+])cc1 1680684 168811366 /nfs/dbraw/zinc/81/13/66/168811366.db2.gz HMTSWYPNXFHGEP-UHFFFAOYSA-N 1 0 121.183 1.454 50 0 in-vitro ADAARO Cc1ccc(CC[C@@H](C)[NH3+])o1 71373509 168811496 /nfs/dbraw/zinc/81/14/96/168811496.db2.gz RAZBKHHKSWNZLX-SSDOTTSWSA-N 1 0 153.225 1.868 50 0 in-vitro ADAARO Cc1ccc(C[NH2+]CC2CC2)cn1 37927744 168814455 /nfs/dbraw/zinc/81/44/55/168814455.db2.gz PDPJMYFRUAKJLS-UHFFFAOYSA-N 1 0 176.263 1.890 50 0 ADAARO Cc1ccc(C[NH2+]C[C@@H](C)O)s1 360078 168815014 /nfs/dbraw/zinc/81/50/14/168815014.db2.gz JLVFMHMDKADIAM-SSDOTTSWSA-N 1 0 185.292 1.527 50 0 in-vitro ADAARO Cc1ccc(C[C@@H]2CC[NH2+]C2)nc1 72344174 168815218 /nfs/dbraw/zinc/81/52/18/168815218.db2.gz DUAPMMFYSPWVMB-JTQLQIEISA-N 1 0 176.263 1.542 50 0 ADAARO Cc1ccc(C[C@@H](C[NH3+])CO)cc1 11978406 168815773 /nfs/dbraw/zinc/81/57/73/168815773.db2.gz UIMGYZUPZCXHOK-NSHDSACASA-N 1 0 179.263 1.105 50 0 ADAARO Cc1ccc(C[C@H](O)C[NH3+])c(C)c1 41200946 168816919 /nfs/dbraw/zinc/81/69/19/168816919.db2.gz WOBVCFKKTFNUQG-NSHDSACASA-N 1 0 179.263 1.166 50 0 ADAARO Cc1ccc(F)c(CC[NH3+])c1 44397730 168819280 /nfs/dbraw/zinc/81/92/80/168819280.db2.gz BUFYBPCRPOXWLR-UHFFFAOYSA-N 1 0 153.200 1.635 50 0 in-vitro ADAARO Cc1ccc(F)cc1C[NH3+] 2382202 168820705 /nfs/dbraw/zinc/82/07/05/168820705.db2.gz KDOUBUZYGVSSLM-UHFFFAOYSA-N 1 0 139.173 1.593 50 0 in-vitro ADAARO Cc1ccc(F)cc1NC(N)=[NH2+] 52091876 168821040 /nfs/dbraw/zinc/82/10/40/168821040.db2.gz IWICFTQITCIWQG-UHFFFAOYSA-N 1 0 167.187 1.439 50 0 ADAARO Cc1ccc(NC(=O)CC[NH3+])c(F)c1 19093259 168823511 /nfs/dbraw/zinc/82/35/11/168823511.db2.gz GPFZAZQGNSPKAO-UHFFFAOYSA-N 1 0 196.225 1.421 50 0 in-vitro ADAARO Cc1ccc(NC(=O)CC[NH3+])cc1 8732976 168823811 /nfs/dbraw/zinc/82/38/11/168823811.db2.gz MCBHIQWJVMYWPW-UHFFFAOYSA-N 1 0 178.235 1.282 50 0 ADAARO Cc1ccc(NC(N)=[NH2+])c(C)c1 4773004 168823908 /nfs/dbraw/zinc/82/39/08/168823908.db2.gz RYIUHRFCOGHNTQ-UHFFFAOYSA-N 1 0 163.224 1.609 50 0 ADAARO Cc1ccc(NC(=O)C(C)(C)[NH3+])cc1 19672522 168824001 /nfs/dbraw/zinc/82/40/01/168824001.db2.gz NERYGZHDKGGLHU-UHFFFAOYSA-N 1 0 192.262 1.671 50 0 ADAARO Cc1ccc(N2CCC[NH2+]CC2)cc1 32628999 168824679 /nfs/dbraw/zinc/82/46/79/168824679.db2.gz ZKZKRXXWGHTLQS-UHFFFAOYSA-N 1 0 190.290 1.795 50 0 in-vitro ADAARO Cc1ccc(NC(N)=[NH2+])c(F)c1 52091881 168824820 /nfs/dbraw/zinc/82/48/20/168824820.db2.gz WPPPBJOAADTKJU-UHFFFAOYSA-N 1 0 167.187 1.439 50 0 ADAARO Cc1ccc(NC(=O)CC[NH3+])c(C)c1 8732984 168824843 /nfs/dbraw/zinc/82/48/43/168824843.db2.gz AOGNWLREBDWRNL-UHFFFAOYSA-N 1 0 192.262 1.591 50 0 ADAARO Cc1ccc(N2C[C@H]([NH3+])CC2=O)cc1 15014801 168824879 /nfs/dbraw/zinc/82/48/79/168824879.db2.gz WJFDJEKZICKYTJ-SECBINFHSA-N 1 0 190.246 1.059 50 0 in-vitro ADAARO Cc1ccc(NC(N)=[NH2+])cc1F 31772059 168824927 /nfs/dbraw/zinc/82/49/27/168824927.db2.gz AWTJHZXPMFIOAC-UHFFFAOYSA-N 1 0 167.187 1.439 50 0 ADAARO Cc1ccc(OC[C@@H](O)C[NH3+])c(C)c1 2555524 168831343 /nfs/dbraw/zinc/83/13/43/168831343.db2.gz MUMARLPGCDVFQA-JTQLQIEISA-N 1 0 195.262 1.002 50 0 in-vitro ADAARO Cc1ccc(OC[C@H]2CC[NH2+]C2)cc1 14632428 168831713 /nfs/dbraw/zinc/83/17/13/168831713.db2.gz UVWRVEIUQNLYIQ-NSHDSACASA-N 1 0 191.274 1.983 50 0 ADAARO Cc1ccc(O[C@@H]2CC[NH2+]C2)cn1 14632271 168831811 /nfs/dbraw/zinc/83/18/11/168831811.db2.gz LSOZOIWNHPTWGV-SNVBAGLBSA-N 1 0 178.235 1.131 50 0 in-vitro ADAARO Cc1ccc(OCCC[NH3+])cc1 4299012 168831939 /nfs/dbraw/zinc/83/19/39/168831939.db2.gz JHKXVSGKKYHYJR-UHFFFAOYSA-N 1 0 165.236 1.723 50 0 in-vitro ADAARO Cc1ccc(OC[C@@H](C)[NH3+])cc1 11849658 168832207 /nfs/dbraw/zinc/83/22/07/168832207.db2.gz IKSQZYUYDAEOEE-SECBINFHSA-N 1 0 165.236 1.721 50 0 in-vitro ADAARO Cc1ccc(OC[C@H](O)C[NH3+])c(C)c1 2685827 168832355 /nfs/dbraw/zinc/83/23/55/168832355.db2.gz MUMARLPGCDVFQA-SNVBAGLBSA-N 1 0 195.262 1.002 50 0 in-vitro ADAARO Cc1ccc([C@@H](C[NH3+])CO)cc1 71495873 168835289 /nfs/dbraw/zinc/83/52/89/168835289.db2.gz CVHLUXUZXPVWQG-JTQLQIEISA-N 1 0 165.236 1.030 50 0 ADAARO Cc1ccc([C@@H]([NH3+])CCO)cc1 12650625 168836389 /nfs/dbraw/zinc/83/63/89/168836389.db2.gz DLRHJVGOQVPPGF-JTQLQIEISA-N 1 0 165.236 1.377 50 0 in-vitro ADAARO Cc1ccc([C@@H](O)[C@H](C)[NH3+])cc1 2009384 168837303 /nfs/dbraw/zinc/83/73/03/168837303.db2.gz HYFSOKGGCDALKV-WPRPVWTQSA-N 1 0 165.236 1.376 50 0 in-vitro ADAARO Cc1ccc([C@@H]2CCC[NH2+]2)cn1 22063525 168837319 /nfs/dbraw/zinc/83/73/19/168837319.db2.gz WZVVISVPTUREQN-JTQLQIEISA-N 1 0 162.236 1.815 50 0 in-vitro ADAARO Cc1ccc([C@@]2(O)CC[NH2+]C2)cc1 13483663 168839638 /nfs/dbraw/zinc/83/96/38/168839638.db2.gz VIJOQUBTZLXSIM-LLVKDONJSA-N 1 0 177.247 1.176 50 0 ADAARO Cc1ccc([C@H]([NH3+])CO)s1 41677413 168842319 /nfs/dbraw/zinc/84/23/19/168842319.db2.gz BLVLSVVPRJHGQW-ZCFIWIBFSA-N 1 0 157.238 1.049 50 0 ADAARO Cc1ccc([C@H](O)[C@@H](C)[NH3+])cc1 2009381 168842600 /nfs/dbraw/zinc/84/26/00/168842600.db2.gz HYFSOKGGCDALKV-PSASIEDQSA-N 1 0 165.236 1.376 50 0 in-vitro ADAARO Cc1ccc([C@H]2C[NH2+]CCN2)cc1C 39115428 168843850 /nfs/dbraw/zinc/84/38/50/168843850.db2.gz DEVCAUSAFYFVHN-GFCCVEGCSA-N 1 0 190.290 1.537 50 0 ADAARO Cc1ccc([C@](C)(O)C[NH3+])cc1 11803501 168844066 /nfs/dbraw/zinc/84/40/66/168844066.db2.gz DGYZREZJDAZPPF-SNVBAGLBSA-N 1 0 165.236 1.161 50 0 ADAARO Cc1ccc([C@]2(C)C[NH2+]CCO2)cc1 11803635 168844474 /nfs/dbraw/zinc/84/44/74/168844474.db2.gz NQYMBSUCKZVKFF-LBPRGKRZSA-N 1 0 191.274 1.830 50 0 in-vitro ADAARO Cc1ccc([C@H]2C[NH2+]CCO2)s1 37405135 168844611 /nfs/dbraw/zinc/84/46/11/168844611.db2.gz IIMNEHHBSPHEGX-MRVPVSSYSA-N 1 0 183.276 1.717 50 0 ADAARO Cc1ccc2c(C)[n+](C)ccn12 245876 168846982 /nfs/dbraw/zinc/84/69/82/168846982.db2.gz SUZSODJXSTWHAX-UHFFFAOYSA-N 1 0 161.228 1.381 50 0 ADAARO Cc1ccc2c(c1)[C@@H](CC[NH3+])C(=O)N2 19703338 168850294 /nfs/dbraw/zinc/85/02/94/168850294.db2.gz PENFTGFFBVMJDJ-MRVPVSSYSA-N 1 0 190.246 1.380 50 0 biogenic ADAARO Cc1ccc2c(c1)[C@H]([NH3+])CC2 19727483 168850989 /nfs/dbraw/zinc/85/09/89/168850989.db2.gz FMQGLSSKBZCURE-SNVBAGLBSA-N 1 0 147.221 1.941 50 0 in-vitro ADAARO Cc1ccc2c(c1)[C@H](CC[NH3+])C(=O)N2 518513 168851181 /nfs/dbraw/zinc/85/11/81/168851181.db2.gz PENFTGFFBVMJDJ-QMMMGPOBSA-N 1 0 190.246 1.380 50 0 biogenic ADAARO Cc1ccc2c(ccn2CC[NH3+])c1 32500128 168852980 /nfs/dbraw/zinc/85/29/80/168852980.db2.gz WPFOIIDYFGKPFV-UHFFFAOYSA-N 1 0 174.247 1.908 50 0 ADAARO Cc1ccc2n(C)cccc-2c1=[NH2+] 334159121 168856056 /nfs/dbraw/zinc/85/60/56/168856056.db2.gz MKXUPDZUKVASKA-UHFFFAOYSA-N 1 0 172.231 1.918 50 0 ADAARO Cc1cccc(C(N)=[NH2+])c1 166957 168861251 /nfs/dbraw/zinc/86/12/51/168861251.db2.gz XRCSYMVDLYGKTE-UHFFFAOYSA-N 1 0 134.182 1.279 50 0 in-vitro ADAARO Cc1cccc(C)c1N1CCNC1=[NH2+] 96028151 168862485 /nfs/dbraw/zinc/86/24/85/168862485.db2.gz YTAPFAHEODRGDR-UHFFFAOYSA-N 1 0 189.262 1.648 50 0 ADAARO Cc1cccc(C)c1NCC[NH3+] 19732719 168863280 /nfs/dbraw/zinc/86/32/80/168863280.db2.gz BNOBHEKBXWEIOI-UHFFFAOYSA-N 1 0 164.252 1.674 50 0 ADAARO Cc1cccc(C)c1OC[C@@H](O)C[NH3+] 792388 168864078 /nfs/dbraw/zinc/86/40/78/168864078.db2.gz FPMZNNDIIMFKDZ-JTQLQIEISA-N 1 0 195.262 1.002 50 0 in-vitro ADAARO Cc1cccc(CO[C@H]2CC[NH2+]C2)c1 14632046 168865742 /nfs/dbraw/zinc/86/57/42/168865742.db2.gz VCCVPKCJXIKNSE-LBPRGKRZSA-N 1 0 191.274 1.874 50 0 in-vitro ADAARO Cc1cccc(C[C@@H](C[NH3+])CO)c1 11978396 168865930 /nfs/dbraw/zinc/86/59/30/168865930.db2.gz PZGKHOUIVVHFNB-NSHDSACASA-N 1 0 179.263 1.105 50 0 in-vitro ADAARO Cc1cccc(C[NH3+])c1 2015949 168866181 /nfs/dbraw/zinc/86/61/81/168866181.db2.gz RGXUCUWVGKLACF-UHFFFAOYSA-N 1 0 121.183 1.454 50 0 in-vitro ADAARO Cc1cccc(N2CC[C@H]([NH3+])C2)c1 37242100 168867054 /nfs/dbraw/zinc/86/70/54/168867054.db2.gz IGASEQRQTPTQOI-JTQLQIEISA-N 1 0 176.263 1.532 50 0 ADAARO Cc1cccc(N2CCC[NH2+]CC2)n1 12359801 168867098 /nfs/dbraw/zinc/86/70/98/168867098.db2.gz JKXRJULPFYHASQ-UHFFFAOYSA-N 1 0 191.278 1.190 50 0 ADAARO Cc1cccc(NC(N)=[NH2+])c1C 34936104 168867821 /nfs/dbraw/zinc/86/78/21/168867821.db2.gz AGVGMIXCSZKEGJ-UHFFFAOYSA-N 1 0 163.224 1.609 50 0 ADAARO Cc1cccc(N2C[C@H]([NH3+])CC2=O)c1 15014804 168867984 /nfs/dbraw/zinc/86/79/84/168867984.db2.gz SOJADOKBBLSLRH-SECBINFHSA-N 1 0 190.246 1.059 50 0 in-vitro ADAARO Cc1cccc(N[C@@H]2CC[NH2+]C2)n1 52093958 168868816 /nfs/dbraw/zinc/86/88/16/168868816.db2.gz CTCHWSUODFNVMD-SECBINFHSA-N 1 0 177.251 1.164 50 0 in-vitro ADAARO Cc1cccc(OC[C@@H](O)C[NH3+])c1C 4384448 168870434 /nfs/dbraw/zinc/87/04/34/168870434.db2.gz NGENPWKFJYYVMM-JTQLQIEISA-N 1 0 195.262 1.002 50 0 ADAARO Cc1cccc(OC[C@@H]2CC[NH2+]C2)c1 14632419 168870455 /nfs/dbraw/zinc/87/04/55/168870455.db2.gz AXVYOOOKHCYDIZ-LLVKDONJSA-N 1 0 191.274 1.983 50 0 ADAARO Cc1cccc(OC[C@H]2CC[NH2+]C2)c1 14632420 168870475 /nfs/dbraw/zinc/87/04/75/168870475.db2.gz AXVYOOOKHCYDIZ-NSHDSACASA-N 1 0 191.274 1.983 50 0 ADAARO Cc1cccc(O[C@@H]2CC[NH2+]C2)c1 14632196 168870589 /nfs/dbraw/zinc/87/05/89/168870589.db2.gz QMUFAVLIBTULPB-LLVKDONJSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO Cc1cccc(OC[C@H](O)C[NH3+])c1C 4384447 168870799 /nfs/dbraw/zinc/87/07/99/168870799.db2.gz NGENPWKFJYYVMM-SNVBAGLBSA-N 1 0 195.262 1.002 50 0 ADAARO Cc1cccc(O[C@H]2CC[NH2+]C2)n1 51868557 168870821 /nfs/dbraw/zinc/87/08/21/168870821.db2.gz OHQGBXHYZHQBKH-VIFPVBQESA-N 1 0 178.235 1.131 50 0 ADAARO Cc1cccc(O[C@H]2CC[NH2+]C2)c1 14632198 168871294 /nfs/dbraw/zinc/87/12/94/168871294.db2.gz QMUFAVLIBTULPB-NSHDSACASA-N 1 0 177.247 1.736 50 0 ADAARO Cc1cccc(O[C@@H](C)C[NH3+])c1 11946420 168871376 /nfs/dbraw/zinc/87/13/76/168871376.db2.gz MYYLGENPKRDZMK-VIFPVBQESA-N 1 0 165.236 1.721 50 0 in-vitro ADAARO Cc1cccc([C@@H](C[NH3+])CO)c1 66325601 168872729 /nfs/dbraw/zinc/87/27/29/168872729.db2.gz RFGSESSVOLYUNI-JTQLQIEISA-N 1 0 165.236 1.030 50 0 ADAARO Cc1cccc([C@@H]2CCC[NH2+]2)n1 19686647 168873011 /nfs/dbraw/zinc/87/30/11/168873011.db2.gz PSIDVXGUGGWTKZ-VIFPVBQESA-N 1 0 162.236 1.815 50 0 in-vitro ADAARO Cc1cccc([C@@H]2CCC[NH2+]C2)n1 19686610 168873343 /nfs/dbraw/zinc/87/33/43/168873343.db2.gz RKHGUGOSKDTVKE-SNVBAGLBSA-N 1 0 176.263 1.857 50 0 ADAARO Cc1cccc2[nH]cc(CC[NH3+])c12 6071788 168876974 /nfs/dbraw/zinc/87/69/74/168876974.db2.gz QCUCAQZMPVIYAJ-UHFFFAOYSA-N 1 0 174.247 1.978 50 0 in-vitro ADAARO Cc1cccc2c1CC[NH2+]C2 19624585 168877577 /nfs/dbraw/zinc/87/75/77/168877577.db2.gz QZGXYVCFHDTRMW-UHFFFAOYSA-N 1 0 147.221 1.641 50 0 in-vitro ADAARO Cc1cccc2c(NN)[nH+]cnc12 73666397 168878265 /nfs/dbraw/zinc/87/82/65/168878265.db2.gz CSGLAZQRBDGOFO-UHFFFAOYSA-N 1 0 174.207 1.224 50 0 ADAARO Cc1cccc2c1CC[C@H]2[NH3+] 19727494 168878451 /nfs/dbraw/zinc/87/84/51/168878451.db2.gz MHIOXTVALGXETC-SNVBAGLBSA-N 1 0 147.221 1.941 50 0 in-vitro ADAARO Cc1cccc2c1c(CC[NH3+])cn2C 68576853 168880194 /nfs/dbraw/zinc/88/01/94/168880194.db2.gz UNBKPIHKDMGYRU-UHFFFAOYSA-N 1 0 188.274 1.988 50 0 ADAARO Cc1cccc2c1OC[C@H]([NH3+])C2 16083013 168880590 /nfs/dbraw/zinc/88/05/90/168880590.db2.gz ASAMQZTWXWKWDK-SECBINFHSA-N 1 0 163.220 1.257 50 0 in-vitro ADAARO Cc1cccc2c1[C@H](CC[NH3+])C(=O)N2 71483470 168880606 /nfs/dbraw/zinc/88/06/06/168880606.db2.gz ZMNXOCMABJRMKP-QMMMGPOBSA-N 1 0 190.246 1.380 50 0 ADAARO Cc1cccc2ccc[n+](C)c12 1707124 168882139 /nfs/dbraw/zinc/88/21/39/168882139.db2.gz CJYPLSOVCOCNHJ-UHFFFAOYSA-N 1 0 158.224 1.973 50 0 ADAARO Cc1ccccc1[C@]1(O)CC[NH2+]C1 19090202 168883631 /nfs/dbraw/zinc/88/36/31/168883631.db2.gz XYLQIZRZZDDGGI-NSHDSACASA-N 1 0 177.247 1.176 50 0 in-vitro ADAARO Cc1ccccc1[C@](C)(O)C[NH3+] 55032571 168884217 /nfs/dbraw/zinc/88/42/17/168884217.db2.gz WUAIBTUPDCVHPA-SNVBAGLBSA-N 1 0 165.236 1.161 50 0 ADAARO Cc1ccccc1[C@]1(C)C[C@@H]1[NH3+] 52126416 168884579 /nfs/dbraw/zinc/88/45/79/168884579.db2.gz FMRRZAORVSUICI-QWRGUYRKSA-N 1 0 161.248 1.984 50 0 in-vitro ADAARO Cc1ccccc1[C@H]1C[NH2+]CCO1 11802999 168884739 /nfs/dbraw/zinc/88/47/39/168884739.db2.gz JYEGQCCVQLJHSJ-LLVKDONJSA-N 1 0 177.247 1.656 50 0 in-vitro ADAARO Cc1cccnc1C[C@@H]1CCC[NH2+]1 4234775 168885808 /nfs/dbraw/zinc/88/58/08/168885808.db2.gz UQXWAABBOJXAOI-JTQLQIEISA-N 1 0 176.263 1.685 50 0 in-vitro ADAARO Cc1cccnc1C[C@H]1CCC[NH2+]1 4234776 168886091 /nfs/dbraw/zinc/88/60/91/168886091.db2.gz UQXWAABBOJXAOI-SNVBAGLBSA-N 1 0 176.263 1.685 50 0 in-vitro ADAARO Cc1cccnc1CCC[NH3+] 44280132 168886223 /nfs/dbraw/zinc/88/62/23/168886223.db2.gz WAUXGDVCSRTHRN-UHFFFAOYSA-N 1 0 150.225 1.281 50 0 ADAARO Cc1ccn(-c2ccccc2C[NH3+])n1 20352361 168886691 /nfs/dbraw/zinc/88/66/91/168886691.db2.gz GSQKSUTWFBYKJQ-UHFFFAOYSA-N 1 0 187.246 1.639 50 0 in-vitro ADAARO Cc1cccnc1C1CC[NH2+]CC1 20446589 168886791 /nfs/dbraw/zinc/88/67/91/168886791.db2.gz JQVOQMXMMUIVDH-UHFFFAOYSA-N 1 0 176.263 1.857 50 0 ADAARO Cc1cccnc1[C@H](C)[NH3+] 19092609 168886810 /nfs/dbraw/zinc/88/68/10/168886810.db2.gz PWLIYNAODUMYSS-ZETCQYMHSA-N 1 0 136.198 1.410 50 0 in-vitro ADAARO Cc1cccnc1[C@H]1CC[NH2+]C1 83269552 168886962 /nfs/dbraw/zinc/88/69/62/168886962.db2.gz MQXGRCCYRHMULM-VIFPVBQESA-N 1 0 162.236 1.467 50 0 ADAARO Cc1cccnc1O[C@@H]1CC[NH2+]C1 51868585 168887084 /nfs/dbraw/zinc/88/70/84/168887084.db2.gz WAOXQDQPQCZRRN-SECBINFHSA-N 1 0 178.235 1.131 50 0 ADAARO Cc1ccn([C@H]2CCC[NH2+]C2)n1 70629749 168888674 /nfs/dbraw/zinc/88/86/74/168888674.db2.gz PYNODVRDNCOPPA-VIFPVBQESA-N 1 0 165.240 1.116 50 0 ADAARO Cc1ccnc([C@H](C)[NH3+])c1 33414660 168890105 /nfs/dbraw/zinc/89/01/05/168890105.db2.gz YYIROKBEKIVBSZ-ZETCQYMHSA-N 1 0 136.198 1.410 50 0 in-vitro ADAARO Cc1ccnc(O[C@H]2CC[NH2+]C2)c1 51868705 168890514 /nfs/dbraw/zinc/89/05/14/168890514.db2.gz NOKJUAAWTHPJIG-VIFPVBQESA-N 1 0 178.235 1.131 50 0 ADAARO Cc1ccnc2[nH]cc(CC[NH3+])c12 82868698 168891289 /nfs/dbraw/zinc/89/12/89/168891289.db2.gz LIYPNUSFXKJKDX-UHFFFAOYSA-N 1 0 175.235 1.373 50 0 ADAARO Cc1ccncc1[C@@H](C)[NH3+] 82410859 168891308 /nfs/dbraw/zinc/89/13/08/168891308.db2.gz IZVNSBQUTJTRTM-SSDOTTSWSA-N 1 0 136.198 1.410 50 0 in-vitro ADAARO Cc1ccnc2scc[n+]12 496321 168891465 /nfs/dbraw/zinc/89/14/65/168891465.db2.gz YVMDFROJLOGRTE-UHFFFAOYSA-N 1 0 151.214 1.190 50 0 ADAARO Cc1ccncc1C1=CC[NH2+]CC1 85442301 168891616 /nfs/dbraw/zinc/89/16/16/168891616.db2.gz JMTOPIKWXXVQRO-UHFFFAOYSA-N 1 0 174.247 1.767 50 0 in-vitro ADAARO Cc1ccncc1[C@H]1CC[NH2+]C1 82850569 168892965 /nfs/dbraw/zinc/89/29/65/168892965.db2.gz WMZPAJFGBAJRSE-VIFPVBQESA-N 1 0 162.236 1.467 50 0 in-vitro ADAARO Cc1cn(O)c2ccccc2[n+]1=O 334138833 168899362 /nfs/dbraw/zinc/89/93/62/168899362.db2.gz KDJHRIOUZFTGPJ-UHFFFAOYSA-N 1 0 177.183 1.102 50 0 in-vitro ADAARO Cc1cnc(C(C)(C)[NH3+])s1 36761821 168901395 /nfs/dbraw/zinc/90/13/95/168901395.db2.gz BKAARAYQIPOVLF-UHFFFAOYSA-N 1 0 156.254 1.645 50 0 in-vitro ADAARO Cc1cnc([C@@H](C)C[NH3+])s1 11886723 168905993 /nfs/dbraw/zinc/90/59/93/168905993.db2.gz ZJLXFBTVZCKTQT-YFKPBYRVSA-N 1 0 156.254 1.514 50 0 in-vitro ADAARO Cc1cnc([C@@H]([NH3+])C2CC2)s1 45206200 168907745 /nfs/dbraw/zinc/90/77/45/168907745.db2.gz FLZXXKPDILZZGE-ZETCQYMHSA-N 1 0 168.265 1.861 50 0 in-vitro ADAARO Cc1cnc([C@H](C)C[NH3+])s1 11886727 168908107 /nfs/dbraw/zinc/90/81/07/168908107.db2.gz ZJLXFBTVZCKTQT-RXMQYKEDSA-N 1 0 156.254 1.514 50 0 in-vitro ADAARO Cc1c[nH+]cc(C)c1N 2541072 168910193 /nfs/dbraw/zinc/91/01/93/168910193.db2.gz QFLLABOTLITCPP-UHFFFAOYSA-N 1 0 122.171 1.281 50 0 in-vitro ADAARO Cc1cnccc1C1=CC[NH2+]CC1 85424638 168911609 /nfs/dbraw/zinc/91/16/09/168911609.db2.gz YOVFSTHPSIQTQR-UHFFFAOYSA-N 1 0 174.247 1.767 50 0 in-vitro ADAARO Cc1cnccc1[C@H](C)[NH3+] 83267503 168913014 /nfs/dbraw/zinc/91/30/14/168913014.db2.gz FCJFFSRMXWPYIQ-ZETCQYMHSA-N 1 0 136.198 1.410 50 0 ADAARO Cc1cnn(C2CC[NH2+]CC2)c1 41671566 168914920 /nfs/dbraw/zinc/91/49/20/168914920.db2.gz AUBWCQXFDUAVCI-UHFFFAOYSA-N 1 0 165.240 1.116 50 0 in-vitro ADAARO Cc1cncnc1[C@@H]1CCC[NH2+]C1 19686490 168915054 /nfs/dbraw/zinc/91/50/54/168915054.db2.gz MCRBEHBGSBNXOZ-SECBINFHSA-N 1 0 177.251 1.252 50 0 ADAARO Cc1cnn([C@H]2CCC[NH2+]C2)c1 42290472 168916486 /nfs/dbraw/zinc/91/64/86/168916486.db2.gz FWDVJOKDANNSCK-VIFPVBQESA-N 1 0 165.240 1.116 50 0 in-vitro ADAARO Cc1csc(NC2CC[NH2+]CC2)n1 19512611 168920700 /nfs/dbraw/zinc/92/07/00/168920700.db2.gz FVJQVLRMUNMZTQ-UHFFFAOYSA-N 1 0 197.307 1.615 50 0 in-vitro ADAARO Cc1csc(N2CCC[NH2+]CC2)n1 22210751 168920771 /nfs/dbraw/zinc/92/07/71/168920771.db2.gz AOOHBXBPTPTBLB-UHFFFAOYSA-N 1 0 197.307 1.251 50 0 in-vitro ADAARO Cc1csc(SC2C[NH2+]C2)n1 54931767 168920785 /nfs/dbraw/zinc/92/07/85/168920785.db2.gz NIQDFIIOSYIRRE-UHFFFAOYSA-N 1 0 186.305 1.515 50 0 ADAARO Cc1csc(CCC[NH3+])n1 11632091 168920853 /nfs/dbraw/zinc/92/08/53/168920853.db2.gz JIXXWWDGEMQMCJ-UHFFFAOYSA-N 1 0 156.254 1.343 50 0 in-vitro ADAARO Cc1csc(CCCC[NH3+])n1 11887663 168921449 /nfs/dbraw/zinc/92/14/49/168921449.db2.gz ZQDYXYWQOLYQDY-UHFFFAOYSA-N 1 0 170.281 1.733 50 0 in-vitro ADAARO Cc1nc(-c2ccc(C[NH3+])cc2)n[nH]1 47844999 168921960 /nfs/dbraw/zinc/92/19/60/168921960.db2.gz VYBKGUDJJZKRLN-UHFFFAOYSA-N 1 0 188.234 1.239 50 0 ADAARO Cc1n(C)c2ccccc2[n+]1C 160388 168922322 /nfs/dbraw/zinc/92/23/22/168922322.db2.gz ZZWIVZMYSVNULV-UHFFFAOYSA-N 1 0 161.228 1.311 50 0 ADAARO Cc1csc([C@H]([NH3+])C2CC2)n1 41059416 168922678 /nfs/dbraw/zinc/92/26/78/168922678.db2.gz PGQDIESBAMNFIY-SSDOTTSWSA-N 1 0 168.265 1.861 50 0 in-vitro ADAARO Cc1csc([C@@H](C)[NH3+])n1 3709132 168922859 /nfs/dbraw/zinc/92/28/59/168922859.db2.gz NSXQYSQZXMGRPJ-RXMQYKEDSA-N 1 0 142.227 1.471 50 0 in-vitro ADAARO Cc1csc([C@@H]2CCC[NH2+]C2)n1 11632017 168923073 /nfs/dbraw/zinc/92/30/73/168923073.db2.gz WFKAJMCEZSRFSB-MRVPVSSYSA-N 1 0 182.292 1.919 50 0 in-vitro ADAARO Cc1n[nH]c(C)c1[C@H](C)[NH3+] 54782 168926134 /nfs/dbraw/zinc/92/61/34/168926134.db2.gz BDDVQOCZUMFMRH-BYPYZUCNSA-N 1 0 139.202 1.046 50 0 ADAARO C[C@@H]([NH3+])[C@@H](O)c1ccc(F)cc1 20216882 168365569 /nfs/dbraw/zinc/36/55/69/168365569.db2.gz NFIUKBOGCIKNNF-HZGVNTEJSA-N 1 0 169.199 1.206 50 0 in-vitro ADAARO C[C@@H]([NH3+])[C@@H](c1ccccc1)N(C)C 42900856 168365623 /nfs/dbraw/zinc/36/56/23/168365623.db2.gz LMTBPLOIFJDYEV-KOLCDFICSA-N 1 0 178.279 1.637 50 0 in-vitro ADAARO Cc1nc(C)n(C[C@H]2CCCC[NH2+]2)n1 43494386 168936031 /nfs/dbraw/zinc/93/60/31/168936031.db2.gz INDKHEXXHYDJLL-SNVBAGLBSA-N 1 0 194.282 1.037 50 0 in-vitro ADAARO Cc1nc(Cl)c2c(n1)CC[NH2+]CC2 95943623 168943102 /nfs/dbraw/zinc/94/31/02/168943102.db2.gz LVLWSXKRVKQCRD-UHFFFAOYSA-N 1 0 197.669 1.127 50 0 ADAARO Cc1[nH+]c(NN)ccc1Cl 95496121 168947384 /nfs/dbraw/zinc/94/73/84/168947384.db2.gz ZKTXUMXMOBVOSB-UHFFFAOYSA-N 1 0 157.604 1.329 50 0 ADAARO Cc1nc([C@H]2CCC[NH2+]2)[nH]c1C 36874044 168950637 /nfs/dbraw/zinc/95/06/37/168950637.db2.gz YOCUBPOCMQJJRP-MRVPVSSYSA-N 1 0 165.240 1.451 50 0 ADAARO Cc1ncc(C[NH3+])c(C)c1C 83251466 168963858 /nfs/dbraw/zinc/96/38/58/168963858.db2.gz WJBHCPNRWPACPI-UHFFFAOYSA-N 1 0 150.225 1.466 50 0 ADAARO Cc1[nH+]cc2ccccn12 12631430 168969463 /nfs/dbraw/zinc/96/94/63/168969463.db2.gz YXYQVTCKDHMPEZ-UHFFFAOYSA-N 1 0 132.166 1.643 50 0 in-vitro ADAARO Cc1ncccc1OC[C@@H]1CCC[NH2+]1 6562 168971253 /nfs/dbraw/zinc/97/12/53/168971253.db2.gz YRVIKLBSVVNSHF-JTQLQIEISA-N 1 0 192.262 1.521 50 0 investigational ADAARO Cc1nccc([C@@H]2CCC[NH2+]2)n1 19686154 168971280 /nfs/dbraw/zinc/97/12/80/168971280.db2.gz VSUSTXVUWOJMMR-QMMMGPOBSA-N 1 0 163.224 1.210 50 0 ADAARO Cc1ncccc1O[C@H]1CC[NH2+]C1 87155008 168971490 /nfs/dbraw/zinc/97/14/90/168971490.db2.gz OMQMSVMMXTUZRZ-VIFPVBQESA-N 1 0 178.235 1.131 50 0 ADAARO Cc1nccc([C@@]2(C)CCC[NH2+]C2)n1 72187776 168971516 /nfs/dbraw/zinc/97/15/16/168971516.db2.gz GCPPYHXRESKMER-NSHDSACASA-N 1 0 191.278 1.426 50 0 ADAARO Cc1nccc([C@H]2CCC[NH2+]C2)n1 19685958 168971719 /nfs/dbraw/zinc/97/17/19/168971719.db2.gz RBDBGBCECZKYOO-VIFPVBQESA-N 1 0 177.251 1.252 50 0 in-vitro ADAARO Cc1nccnc1[C@@H]1CCC[NH2+]C1 72344136 168975796 /nfs/dbraw/zinc/97/57/96/168975796.db2.gz LFNDYECZUAFHLE-SECBINFHSA-N 1 0 177.251 1.252 50 0 ADAARO Cc1nccnc1[C@H]1CCC[NH2+]C1 72344137 168975923 /nfs/dbraw/zinc/97/59/23/168975923.db2.gz LFNDYECZUAFHLE-VIFPVBQESA-N 1 0 177.251 1.252 50 0 ADAARO Cc1nn(C)c(C)c1C[NH2+]C1CC1 2559682 168981466 /nfs/dbraw/zinc/98/14/66/168981466.db2.gz GYYTUCAIROQKGJ-UHFFFAOYSA-N 1 0 179.267 1.289 50 0 in-vitro ADAARO Cc1nn(C2CC[NH2+]CC2)c(C)c1C 41671575 168986516 /nfs/dbraw/zinc/98/65/16/168986516.db2.gz BRYMUNKUJVSFJO-UHFFFAOYSA-N 1 0 193.294 1.733 50 0 ADAARO Cc1nn(C)cc1[C@H]1CCC[NH2+]1 75567795 168986519 /nfs/dbraw/zinc/98/65/19/168986519.db2.gz IUNGWTMPLYCVBS-SECBINFHSA-N 1 0 165.240 1.153 50 0 in-vitro ADAARO Cc1nnc(C2CC[NH2+]CC2)s1 26424257 168990367 /nfs/dbraw/zinc/99/03/67/168990367.db2.gz ICOBNRUDBYCJJZ-UHFFFAOYSA-N 1 0 183.280 1.314 50 0 in-vitro ADAARO Cc1nnc([C@@H]2CCC[NH2+]C2)s1 26424274 168994092 /nfs/dbraw/zinc/99/40/92/168994092.db2.gz ADOWKTCTHGQHBM-SSDOTTSWSA-N 1 0 183.280 1.314 50 0 in-vitro ADAARO Cc1noc(C2CCC([NH3+])CC2)n1 37472107 168998710 /nfs/dbraw/zinc/99/87/10/168998710.db2.gz BIOMFDHHARGJFB-UHFFFAOYSA-N 1 0 181.239 1.363 50 0 in-vitro ADAARO Cc1noc(C)c1[C@H]1CCC[NH2+]1 12398257 168999273 /nfs/dbraw/zinc/99/92/73/168999273.db2.gz QDGZSVKOWPTPRN-MRVPVSSYSA-N 1 0 166.224 1.716 50 0 in-vitro ADAARO Cc1noc(C)c1CSC(N)=[NH2+] 22364400 168999593 /nfs/dbraw/zinc/99/95/93/168999593.db2.gz KRONOWHLQKYJMX-UHFFFAOYSA-N 1 0 185.252 1.418 50 0 in-vitro ADAARO Cc1noc(C)c1C[C@H](C)[NH3+] 20442643 168999652 /nfs/dbraw/zinc/99/96/52/168999652.db2.gz UDUQYWBETJDXSM-YFKPBYRVSA-N 1 0 154.213 1.181 50 0 in-vitro ADAARO Cc1noc(N)c1C1=CC[N@H+](C)CC1 75581341 169002081 /nfs/dbraw/zinc/00/20/81/169002081.db2.gz AOLZOODACUUEQH-UHFFFAOYSA-N 1 0 193.250 1.284 50 0 ADAARO Cc1noc([C@H]2CCCCN2)n1 19089634 169002495 /nfs/dbraw/zinc/00/24/95/169002495.db2.gz ZIBMLRNNEACWHX-SSDOTTSWSA-N 1 0 167.212 1.193 50 0 in-vitro ADAARO Cc1noc([C@@]2(C)CCC[NH2+]C2)n1 19686520 169002575 /nfs/dbraw/zinc/00/25/75/169002575.db2.gz PWBIFCIKFRLZTN-VIFPVBQESA-N 1 0 181.239 1.019 50 0 ADAARO Cc1noc([C@H](N)C(C)C)n1 21508232 169002897 /nfs/dbraw/zinc/00/28/97/169002897.db2.gz FXYRTTMATPBDLI-ZCFIWIBFSA-N 1 0 155.201 1.034 50 0 in-vitro ADAARO Cc1noc([C@H](N)c2ccccc2)n1 21043278 169002977 /nfs/dbraw/zinc/00/29/77/169002977.db2.gz MTNULYNTHZLDJX-SECBINFHSA-N 1 0 189.218 1.426 50 0 in-vitro ADAARO Cc1noc2ccc(C[NH3+])cc12 82850416 169003420 /nfs/dbraw/zinc/00/34/20/169003420.db2.gz ZYBXLTNXRLADGH-UHFFFAOYSA-N 1 0 162.192 1.595 50 0 in-vitro ADAARO Cc1noc([C@]2(C)CCC[NH2+]C2)n1 19686522 169003772 /nfs/dbraw/zinc/00/37/72/169003772.db2.gz PWBIFCIKFRLZTN-SECBINFHSA-N 1 0 181.239 1.019 50 0 ADAARO Cc1oc(-c2ccco2)nc1C[NH3+] 16124534 169006467 /nfs/dbraw/zinc/00/64/67/169006467.db2.gz OOKUDEISCIWTNK-UHFFFAOYSA-N 1 0 178.191 1.702 50 0 ADAARO Cc1oc(-c2ccncc2)nc1C[NH3+] 16124529 169006799 /nfs/dbraw/zinc/00/67/99/169006799.db2.gz UQCRUMHPDSDVHX-UHFFFAOYSA-N 1 0 189.218 1.504 50 0 ADAARO Cc1oc(-c2cccnc2)nc1C[NH3+] 16124532 169007019 /nfs/dbraw/zinc/00/70/19/169007019.db2.gz VUABIAQINWSQDQ-UHFFFAOYSA-N 1 0 189.218 1.504 50 0 ADAARO Cc1oc(-c2ccoc2)nc1C[NH3+] 16124537 169007819 /nfs/dbraw/zinc/00/78/19/169007819.db2.gz QNOZACQHDSTEKJ-UHFFFAOYSA-N 1 0 178.191 1.702 50 0 ADAARO Cc1occc1C[NH3+] 12370515 169011665 /nfs/dbraw/zinc/01/16/65/169011665.db2.gz JBJAKJOQAZHEJQ-UHFFFAOYSA-N 1 0 111.144 1.047 50 0 in-vitro ADAARO Cc1sc2ccccc2[n+]1CCO 226087 169014414 /nfs/dbraw/zinc/01/44/14/169014414.db2.gz DUPDJONYRNIZRW-UHFFFAOYSA-N 1 0 194.279 1.490 50 0 ADAARO Cc1sc2ccc(C=O)cc2[n+]1C 3167987 169014557 /nfs/dbraw/zinc/01/45/57/169014557.db2.gz DWDVJGLRZFUPQR-UHFFFAOYSA-N 1 0 192.263 1.847 50 0 ADAARO Cc1sc2nc(C[NH3+])cn2c1C 11566911 169014559 /nfs/dbraw/zinc/01/45/59/169014559.db2.gz OQMCRYHMZJYCHO-UHFFFAOYSA-N 1 0 181.264 1.471 50 0 ADAARO Cc1sc2nc(CC[NH3+])cn2c1C 11567003 169014794 /nfs/dbraw/zinc/01/47/94/169014794.db2.gz VTXNPNBARYALFJ-UHFFFAOYSA-N 1 0 195.291 1.514 50 0 in-vitro ADAARO Cc1sc2nccc(C)[n+]2c1C 391775 169015154 /nfs/dbraw/zinc/01/51/54/169015154.db2.gz VDMJVFPCVLCQHJ-UHFFFAOYSA-N 1 0 179.268 1.807 50 0 ADAARO Cc1scc(C[NH3+])c1C 19754964 169015644 /nfs/dbraw/zinc/01/56/44/169015644.db2.gz QPWAHRUUSKKOBD-UHFFFAOYSA-N 1 0 141.239 1.824 50 0 in-vitro ADAARO Cc1sccc1C[NH3+] 82411274 169015832 /nfs/dbraw/zinc/01/58/32/169015832.db2.gz UVCDLICHQNGTDQ-UHFFFAOYSA-N 1 0 127.212 1.515 50 0 ADAARO Cc1scc(CC[NH3+])c1C 15678310 169015874 /nfs/dbraw/zinc/01/58/74/169015874.db2.gz MDVMPJVPHAZSJE-UHFFFAOYSA-N 1 0 155.266 1.866 50 0 in-vitro ADAARO Cc1scnc1[C@@H](C)[NH3+] 41626801 169016615 /nfs/dbraw/zinc/01/66/15/169016615.db2.gz WOPCSOJXCUJWRX-SCSAIBSYSA-N 1 0 142.227 1.471 50 0 ADAARO Cc1scnc1[C@H](C)[NH3+] 41626804 169016668 /nfs/dbraw/zinc/01/66/68/169016668.db2.gz WOPCSOJXCUJWRX-BYPYZUCNSA-N 1 0 142.227 1.471 50 0 ADAARO Clc1cc(C2=[NH+]CCN2)ccn1 38342285 169021181 /nfs/dbraw/zinc/02/11/81/169021181.db2.gz DFGYJWVECSFNLI-UHFFFAOYSA-N 1 0 181.626 1.085 50 0 in-vitro ADAARO Clc1cc2c(cn1)C[NH2+]C2 67176163 169021453 /nfs/dbraw/zinc/02/14/53/169021453.db2.gz ZYALTSUCGPAPGG-UHFFFAOYSA-N 1 0 154.600 1.338 50 0 ADAARO Clc1ccc2c(c1)C[NH2+]CCN2 12649247 169022683 /nfs/dbraw/zinc/02/26/83/169022683.db2.gz UZKODBURRKASTJ-UHFFFAOYSA-N 1 0 182.654 1.855 50 0 in-vitro ADAARO Clc1ccc(C[NH2+]C2COC2)cc1 71792159 169022739 /nfs/dbraw/zinc/02/27/39/169022739.db2.gz KIVUAOMZENFUPW-UHFFFAOYSA-N 1 0 197.665 1.828 50 0 ADAARO Clc1ccc([C@H]2CC[NH2+]C2)cn1 26671247 169022751 /nfs/dbraw/zinc/02/27/51/169022751.db2.gz LHJJXWWVGBSUEE-QMMMGPOBSA-N 1 0 182.654 1.812 50 0 ADAARO Clc1ccc([C@@H]2C[NH2+]CCN2)cc1 32499138 169022938 /nfs/dbraw/zinc/02/29/38/169022938.db2.gz OTOVNNDSINVUBR-JTQLQIEISA-N 1 0 196.681 1.574 50 0 in-vitro ADAARO Clc1ccc([C@@H]2[NH2+]CCO2)cc1 49805880 169022970 /nfs/dbraw/zinc/02/29/70/169022970.db2.gz CCIILNOBNOHYOX-SECBINFHSA-N 1 0 183.638 1.958 50 0 ADAARO Clc1ccc(OC2C[NH2+]C2)cc1 38580691 169023002 /nfs/dbraw/zinc/02/30/02/169023002.db2.gz LQKDDYJEXTWRLZ-UHFFFAOYSA-N 1 0 183.638 1.691 50 0 ADAARO Clc1ccc(COC2C[NH2+]C2)cc1 34927277 169023058 /nfs/dbraw/zinc/02/30/58/169023058.db2.gz JZNJIWGJZHPTBV-UHFFFAOYSA-N 1 0 197.665 1.828 50 0 in-vitro ADAARO Clc1ccc2c(c1)C[NH2+]CC2 16082963 169023083 /nfs/dbraw/zinc/02/30/83/169023083.db2.gz BLRKQLICTKRDDZ-UHFFFAOYSA-N 1 0 167.639 1.986 50 0 in-vitro ADAARO Clc1ccc2c(n1)CC[NH2+]C2 30678348 169023371 /nfs/dbraw/zinc/02/33/71/169023371.db2.gz CQDMQOQCJRLUQN-UHFFFAOYSA-N 1 0 168.627 1.381 50 0 in-vitro ADAARO Clc1ccc2c(c1)CC[NH2+]C2 27557851 169023444 /nfs/dbraw/zinc/02/34/44/169023444.db2.gz NSURINBXOVVUNR-UHFFFAOYSA-N 1 0 167.639 1.986 50 0 in-vitro ADAARO Clc1ccc(C[NH2+]C2CC2)nn1 66322957 169023632 /nfs/dbraw/zinc/02/36/32/169023632.db2.gz KSOUYMJPPURPOA-UHFFFAOYSA-N 1 0 183.642 1.382 50 0 in-vitro ADAARO Clc1ccc2c[nH+]cn2c1 95835727 169023649 /nfs/dbraw/zinc/02/36/49/169023649.db2.gz NYMGZMIJPCIHBW-UHFFFAOYSA-N 1 0 152.584 1.988 50 0 in-vitro ADAARO Clc1ccc([C@@H]2CC[NH2+]C2)cn1 26671243 169023717 /nfs/dbraw/zinc/02/37/17/169023717.db2.gz LHJJXWWVGBSUEE-MRVPVSSYSA-N 1 0 182.654 1.812 50 0 ADAARO Clc1ccc2c(c1)C[NH2+]CCO2 19093479 169023748 /nfs/dbraw/zinc/02/37/48/169023748.db2.gz VYHQHLWCSBUSBT-UHFFFAOYSA-N 1 0 183.638 1.822 50 0 in-vitro ADAARO Clc1ccc2c(c1)NCC[NH2+]C2 12649243 169023923 /nfs/dbraw/zinc/02/39/23/169023923.db2.gz PDJZJYRZZSOTMF-UHFFFAOYSA-N 1 0 182.654 1.855 50 0 in-vitro ADAARO Clc1ccc(OC[C@H]2CC[NH2+]2)cn1 3959783 169023940 /nfs/dbraw/zinc/02/39/40/169023940.db2.gz MKTAGSRKQIGEBH-SSDOTTSWSA-N 1 0 198.653 1.476 50 0 in-man ADAARO Clc1ccc2c(n1)C[NH2+]C2 35269972 169023947 /nfs/dbraw/zinc/02/39/47/169023947.db2.gz MSLXPRCFQNRAPN-UHFFFAOYSA-N 1 0 154.600 1.338 50 0 in-vitro ADAARO Clc1ccc2c(c1)C[NH2+]C2 34368320 169024026 /nfs/dbraw/zinc/02/40/26/169024026.db2.gz KDKRSWXFLFTSII-UHFFFAOYSA-N 1 0 153.612 1.943 50 0 in-vitro ADAARO Clc1cccc2c1C[NH2+]CC2 27556078 169024327 /nfs/dbraw/zinc/02/43/27/169024327.db2.gz HQSAGIBNZOOQQL-UHFFFAOYSA-N 1 0 167.639 1.986 50 0 in-vitro ADAARO Clc1cccc2c1NCC[NH2+]C2 12649186 169024342 /nfs/dbraw/zinc/02/43/42/169024342.db2.gz LHFVXYGUIKBUII-UHFFFAOYSA-N 1 0 182.654 1.855 50 0 in-vitro ADAARO Clc1cccc(C2=[NH+]CCN2)c1 4014173 169024556 /nfs/dbraw/zinc/02/45/56/169024556.db2.gz KPCOEHAVFBZKQU-UHFFFAOYSA-N 1 0 180.638 1.690 50 0 ADAARO Clc1ccccc1OC1C[NH2+]C1 38580766 169024760 /nfs/dbraw/zinc/02/47/60/169024760.db2.gz UMBZIGKRABBMFL-UHFFFAOYSA-N 1 0 183.638 1.691 50 0 in-vitro ADAARO Clc1cccc(COC2C[NH2+]C2)c1 42769791 169024967 /nfs/dbraw/zinc/02/49/67/169024967.db2.gz WMCSSBJCMAORJD-UHFFFAOYSA-N 1 0 197.665 1.828 50 0 ADAARO Clc1cccc([C@@H]2C[NH2+]CCN2)c1 38531752 169025052 /nfs/dbraw/zinc/02/50/52/169025052.db2.gz XRVXSYWJPAAOBC-JTQLQIEISA-N 1 0 196.681 1.574 50 0 ADAARO Clc1ccccc1[C@@H]1C[NH2+]CCN1 38541314 169025093 /nfs/dbraw/zinc/02/50/93/169025093.db2.gz JBRNEAZTLHDKBX-JTQLQIEISA-N 1 0 196.681 1.574 50 0 in-vitro ADAARO Clc1cccc(OC2C[NH2+]C2)c1 38580693 169025186 /nfs/dbraw/zinc/02/51/86/169025186.db2.gz NVLTWTXWRIFYFW-UHFFFAOYSA-N 1 0 183.638 1.691 50 0 in-vitro ADAARO Clc1ccccc1COC1C[NH2+]C1 42769775 169025270 /nfs/dbraw/zinc/02/52/70/169025270.db2.gz SRDXACGSHRDVFC-UHFFFAOYSA-N 1 0 197.665 1.828 50 0 ADAARO Clc1cccc(OCC2C[NH2+]C2)c1 118591276 169025299 /nfs/dbraw/zinc/02/52/99/169025299.db2.gz BMOSSYSSPAHIQB-UHFFFAOYSA-N 1 0 197.665 1.938 50 0 ADAARO Clc1cccc2c1CC[NH2+]C2 16082958 169025499 /nfs/dbraw/zinc/02/54/99/169025499.db2.gz OHOZWCJUZQXMAW-UHFFFAOYSA-N 1 0 167.639 1.986 50 0 in-vitro ADAARO Clc1ccccc1[C@H]1C[NH2+]CCN1 38541317 169025512 /nfs/dbraw/zinc/02/55/12/169025512.db2.gz JBRNEAZTLHDKBX-SNVBAGLBSA-N 1 0 196.681 1.574 50 0 in-vitro ADAARO Clc1cccc2c1C[NH2+]C2 33358769 169025517 /nfs/dbraw/zinc/02/55/17/169025517.db2.gz XYHJVLXLZOTUKL-UHFFFAOYSA-N 1 0 153.612 1.943 50 0 in-vitro ADAARO Clc1cccc(C[NH2+]C2COC2)c1 71792158 169025648 /nfs/dbraw/zinc/02/56/48/169025648.db2.gz XKIMDEJZNJMZLI-UHFFFAOYSA-N 1 0 197.665 1.828 50 0 ADAARO Clc1ccccc1C1=[NH+]CCN1 5514878 169025717 /nfs/dbraw/zinc/02/57/17/169025717.db2.gz WNGMGKLQVLMSIV-UHFFFAOYSA-N 1 0 180.638 1.690 50 0 ADAARO Clc1cnc2c(c1)C[NH2+]C2 82843736 169026367 /nfs/dbraw/zinc/02/63/67/169026367.db2.gz FXUJHAAUYSPGGK-UHFFFAOYSA-N 1 0 154.600 1.338 50 0 ADAARO Clc1cnn(C2CC[NH2+]CC2)c1 43501219 169026520 /nfs/dbraw/zinc/02/65/20/169026520.db2.gz QIVLZAHUIMYJEM-UHFFFAOYSA-N 1 0 185.658 1.461 50 0 in-vitro ADAARO Clc1cnn([C@@H]2CC[NH2+]C2)c1 51783712 169026588 /nfs/dbraw/zinc/02/65/88/169026588.db2.gz HBUCZWOEPGBHOO-SSDOTTSWSA-N 1 0 171.631 1.071 50 0 ADAARO Clc1cncc(C2CC[NH2+]CC2)n1 72233293 169026852 /nfs/dbraw/zinc/02/68/52/169026852.db2.gz MAZDFTCBRHBCAS-UHFFFAOYSA-N 1 0 197.669 1.597 50 0 ADAARO Clc1cnn([C@H]2CC[NH2+]C2)c1 51783713 169026876 /nfs/dbraw/zinc/02/68/76/169026876.db2.gz HBUCZWOEPGBHOO-ZETCQYMHSA-N 1 0 171.631 1.071 50 0 ADAARO Clc1cnc(C2CC[NH2+]CC2)nc1 95642190 169026957 /nfs/dbraw/zinc/02/69/57/169026957.db2.gz MZFILKOHQHVLSO-UHFFFAOYSA-N 1 0 197.669 1.597 50 0 ADAARO Clc1nccc2c1CC[NH2+]C2 35270009 169028142 /nfs/dbraw/zinc/02/81/42/169028142.db2.gz MCZZBLVEWFMCAM-UHFFFAOYSA-N 1 0 168.627 1.381 50 0 ADAARO Clc1nccc(C2CC[NH2+]CC2)n1 95756361 169028552 /nfs/dbraw/zinc/02/85/52/169028552.db2.gz CKCJRGFGQMXVLB-UHFFFAOYSA-N 1 0 197.669 1.597 50 0 ADAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1N 873786 169029814 /nfs/dbraw/zinc/02/98/14/169029814.db2.gz KLQPCXMAZXYSBR-UHFFFAOYSA-N 1 0 191.209 1.808 50 0 ADAARO Cn1c(-c2ccccc2)c[nH+]c1N 873772 169030131 /nfs/dbraw/zinc/03/01/31/169030131.db2.gz JCXDQWPBUIEPRY-UHFFFAOYSA-N 1 0 173.219 1.669 50 0 in-vitro ADAARO Cn1c(C(C)(C)[NH3+])nc2ccccc21 40911226 169030986 /nfs/dbraw/zinc/03/09/86/169030986.db2.gz YJRRYTPRHQODJG-UHFFFAOYSA-N 1 0 189.262 1.767 50 0 ADAARO Cn1c(N)[nH+]c2cc(F)ccc21 36899016 169032138 /nfs/dbraw/zinc/03/21/38/169032138.db2.gz XURFLYNSPWZPFW-UHFFFAOYSA-N 1 0 165.171 1.295 50 0 in-vitro ADAARO Cn1c(CC[NH3+])nc2ccc(F)cc21 52124461 169032165 /nfs/dbraw/zinc/03/21/65/169032165.db2.gz QWZSNSFTWHCKCU-UHFFFAOYSA-N 1 0 193.225 1.214 50 0 in-vitro ADAARO Cn1c(CCC[NH3+])nc2ccccc21 4244038 169032333 /nfs/dbraw/zinc/03/23/33/169032333.db2.gz IPIKWNHOWCSDJF-UHFFFAOYSA-N 1 0 189.262 1.465 50 0 ADAARO Cn1c(N)[nH+]c2c3ccncc3ccc21 13282312 169032367 /nfs/dbraw/zinc/03/23/67/169032367.db2.gz ADHARTAVWVLWEN-UHFFFAOYSA-N 1 0 198.229 1.704 50 0 in-vitro ADAARO Cn1c(C[NH3+])ccc1C(F)(F)F 82870110 169032433 /nfs/dbraw/zinc/03/24/33/169032433.db2.gz DFBVESIFFMGLDJ-UHFFFAOYSA-N 1 0 178.157 1.503 50 0 ADAARO Cn1c(N)[nH+]c2ccc(F)cc21 52122753 169032612 /nfs/dbraw/zinc/03/26/12/169032612.db2.gz NVRHVHDCZDMSQE-UHFFFAOYSA-N 1 0 165.171 1.295 50 0 in-vitro ADAARO Cn1c(C[NH3+])nc2ccccc21 307768 169032940 /nfs/dbraw/zinc/03/29/40/169032940.db2.gz GFQZSGGPNZDNBC-UHFFFAOYSA-N 1 0 161.208 1.032 50 0 ADAARO Cn1c(C[NH3+])cc2ccccc21 9239718 169032997 /nfs/dbraw/zinc/03/29/97/169032997.db2.gz BJLPAXGOFMVSJE-UHFFFAOYSA-N 1 0 160.220 1.637 50 0 in-vitro ADAARO Cn1c(CC[NH3+])nc2c(F)cccc21 37442472 169033015 /nfs/dbraw/zinc/03/30/15/169033015.db2.gz CGPYMQNARPEMFO-UHFFFAOYSA-N 1 0 193.225 1.214 50 0 in-vitro ADAARO Cn1c(C[NH3+])cc(Cl)c1Cl 75772083 169033107 /nfs/dbraw/zinc/03/31/07/169033107.db2.gz IUPUOLMCPVTDQN-UHFFFAOYSA-N 1 0 179.050 1.791 50 0 in-vitro ADAARO Cn1c(CC[NH3+])nc2cc(F)ccc21 37439211 169033207 /nfs/dbraw/zinc/03/32/07/169033207.db2.gz NHLXHBNTNFYIDB-UHFFFAOYSA-N 1 0 193.225 1.214 50 0 in-vitro ADAARO Cn1c(CC[NH3+])nc2ccccc21 233869 169033268 /nfs/dbraw/zinc/03/32/68/169033268.db2.gz KYWISJFMAVDXJU-UHFFFAOYSA-N 1 0 175.235 1.075 50 0 in-vitro ADAARO Cn1c(C[NH3+])nc2ccc(F)cc21 52124460 169033308 /nfs/dbraw/zinc/03/33/08/169033308.db2.gz GWDVYMJGXPRCGT-UHFFFAOYSA-N 1 0 179.198 1.171 50 0 in-vitro ADAARO Cn1c(C[NH3+])nc2cc(Cl)ccc21 11568669 169033392 /nfs/dbraw/zinc/03/33/92/169033392.db2.gz SPLIVFYNGMDOBZ-UHFFFAOYSA-N 1 0 195.653 1.685 50 0 ADAARO Cn1c(N)[nH+]c2cc(Cl)ccc21 5116680 169033478 /nfs/dbraw/zinc/03/34/78/169033478.db2.gz QZDYOBDSZXQLIW-UHFFFAOYSA-N 1 0 181.626 1.809 50 0 in-vitro ADAARO Cn1c(CC[NH3+])cc2ccccc21 44397720 169033593 /nfs/dbraw/zinc/03/35/93/169033593.db2.gz PXYDYCFAXVGSNA-UHFFFAOYSA-N 1 0 174.247 1.680 50 0 ADAARO Cn1c(C[NH3+])nc2cccc(Cl)c21 37443475 169033631 /nfs/dbraw/zinc/03/36/31/169033631.db2.gz YBRDEGYDWOYRLR-UHFFFAOYSA-N 1 0 195.653 1.685 50 0 in-vitro ADAARO Cn1c(C[NH3+])nc2cc(F)ccc21 37439210 169033774 /nfs/dbraw/zinc/03/37/74/169033774.db2.gz QCMOSFGWLQSUCN-UHFFFAOYSA-N 1 0 179.198 1.171 50 0 in-vitro ADAARO Cn1cc(-c2cccc(C[NH3+])c2)cn1 33428467 169034224 /nfs/dbraw/zinc/03/42/24/169034224.db2.gz ZGRQVGOBMMJNSV-UHFFFAOYSA-N 1 0 187.246 1.546 50 0 in-vitro ADAARO Cn1c[n+](C)c2ccccc21 1646209 169034590 /nfs/dbraw/zinc/03/45/90/169034590.db2.gz DSPUBTKMQXMJCI-UHFFFAOYSA-N 1 0 147.201 1.003 50 0 ADAARO Cn1c2c(c3ccccc31)C[NH2+]CC2 12428108 169035110 /nfs/dbraw/zinc/03/51/10/169035110.db2.gz LSHHYKYAEHDOGB-UHFFFAOYSA-N 1 0 186.258 1.824 50 0 ADAARO Cn1c(N)[nH+]c2ccccc21 163724 169035151 /nfs/dbraw/zinc/03/51/51/169035151.db2.gz XDFZKQJLNGNJAN-UHFFFAOYSA-N 1 0 147.181 1.156 50 0 in-vitro ADAARO Cn1c(N)[nH+]c2cccc(Cl)c21 36899015 169035284 /nfs/dbraw/zinc/03/52/84/169035284.db2.gz SXLPXHZFEJYXBB-UHFFFAOYSA-N 1 0 181.626 1.809 50 0 in-vitro ADAARO Cn1c2c(c3ccccc31)CC[N+](C)=C2 392836 169035386 /nfs/dbraw/zinc/03/53/86/169035386.db2.gz NMGLXEPPJQDGIR-UHFFFAOYSA-N 1 0 199.277 1.796 50 0 ADAARO Cn1cc(-c2ccnc(N)c2)cn1 66309162 169035482 /nfs/dbraw/zinc/03/54/82/169035482.db2.gz PVYZUXOGLHKDPR-UHFFFAOYSA-N 1 0 174.207 1.064 50 0 ADAARO Cn1cc(-c2ccccc2C[NH3+])cn1 38073072 169035537 /nfs/dbraw/zinc/03/55/37/169035537.db2.gz FFHNYBIVNRFWJO-UHFFFAOYSA-N 1 0 187.246 1.546 50 0 in-vitro ADAARO Cn1c2c(c3ccccc31)CC[NH2+]C2 25965531 169035667 /nfs/dbraw/zinc/03/56/67/169035667.db2.gz STMNLEHELVDDKF-UHFFFAOYSA-N 1 0 186.258 1.824 50 0 in-vivo ADAARO Cn1cc(C2([NH3+])CCCCC2)cn1 33487400 169036176 /nfs/dbraw/zinc/03/61/76/169036176.db2.gz CPDUUHIGVLEFQS-UHFFFAOYSA-N 1 0 179.267 1.538 50 0 ADAARO Cn1cc(Br)cc1C[NH3+] 72266505 169036711 /nfs/dbraw/zinc/03/67/11/169036711.db2.gz QILWHSFHANZQBT-UHFFFAOYSA-N 1 0 189.056 1.246 50 0 ADAARO Cn1cc(CC[NH3+])c2cccnc21 26512915 169037529 /nfs/dbraw/zinc/03/75/29/169037529.db2.gz ZOUBZTRMVAFTBR-UHFFFAOYSA-N 1 0 175.235 1.075 50 0 ADAARO Cn1cc(CC[NH3+])c2cc(F)ccc21 14001389 169037791 /nfs/dbraw/zinc/03/77/91/169037791.db2.gz BFAKGPUYPVGGNK-UHFFFAOYSA-N 1 0 192.237 1.819 50 0 in-vitro ADAARO Cn1cc(CC[NH3+])c2ccc(F)cc21 68576886 169037930 /nfs/dbraw/zinc/03/79/30/169037930.db2.gz QAGABUCNXSEZHV-UHFFFAOYSA-N 1 0 192.237 1.819 50 0 in-vitro ADAARO Cn1cc(CC[NH3+])c2cc(O)ccc21 896081 169037947 /nfs/dbraw/zinc/03/79/47/169037947.db2.gz RLDFVSFNVOLFEU-UHFFFAOYSA-N 1 0 190.246 1.385 50 0 ADAARO Cn1cc(C[NH3+])c2ccccc21 1697246 169038097 /nfs/dbraw/zinc/03/80/97/169038097.db2.gz NOFZMDGMQKRLIV-UHFFFAOYSA-N 1 0 160.220 1.637 50 0 in-vitro ADAARO Cn1cc(C[NH3+])c2cccnc21 26512917 169038629 /nfs/dbraw/zinc/03/86/29/169038629.db2.gz GEVQKCZPWJDBRZ-UHFFFAOYSA-N 1 0 161.208 1.032 50 0 ADAARO Cn1cc(C[NH2+]C2CCCCC2)cn1 13331528 169038986 /nfs/dbraw/zinc/03/89/86/169038986.db2.gz YKDPKWZHTBLCTR-UHFFFAOYSA-N 1 0 193.294 1.842 50 0 ADAARO Cn1cc(CC[NH3+])c2ccccc21 332736 169039057 /nfs/dbraw/zinc/03/90/57/169039057.db2.gz CAAGZPJPCKMFBD-UHFFFAOYSA-N 1 0 174.247 1.680 50 0 biogenic,in-vitro ADAARO Cn1cc(C[NH3+])c(-c2ccccc2)n1 20444031 169039066 /nfs/dbraw/zinc/03/90/66/169039066.db2.gz YSPFMJBPIOZVHL-UHFFFAOYSA-N 1 0 187.246 1.546 50 0 in-vitro ADAARO Cn1cc(C[C@@H]2CCC[C@H]2[NH3+])cn1 50540706 169039307 /nfs/dbraw/zinc/03/93/07/169039307.db2.gz WERXRFFPCPVLLV-VHSXEESVSA-N 1 0 179.267 1.090 50 0 ADAARO Cn1cc(Cl)cc1C[NH3+] 74941734 169039689 /nfs/dbraw/zinc/03/96/89/169039689.db2.gz XTDSIYYVKDIAGN-UHFFFAOYSA-N 1 0 144.605 1.137 50 0 in-vitro ADAARO Cn1cc(C[C@H]2CCC[C@@H]2[NH3+])cn1 50540705 169040273 /nfs/dbraw/zinc/04/02/73/169040273.db2.gz WERXRFFPCPVLLV-ZJUUUORDSA-N 1 0 179.267 1.090 50 0 ADAARO Cn1cc(C[C@H]2CCC[C@H]2[NH3+])cn1 50540707 169040344 /nfs/dbraw/zinc/04/03/44/169040344.db2.gz WERXRFFPCPVLLV-NXEZZACHSA-N 1 0 179.267 1.090 50 0 ADAARO Cn1cc(C[C@@H]2CCC[C@@H]2[NH3+])cn1 50540704 169040459 /nfs/dbraw/zinc/04/04/59/169040459.db2.gz WERXRFFPCPVLLV-UWVGGRQHSA-N 1 0 179.267 1.090 50 0 ADAARO Cn1cc([C@@H]([NH3+])C2CCC2)cn1 20476861 169041049 /nfs/dbraw/zinc/04/10/49/169041049.db2.gz OWYCPUFNFNEFKJ-VIFPVBQESA-N 1 0 165.240 1.220 50 0 ADAARO Cn1cc([C@H]([NH3+])C2CCC2)cn1 20476863 169041158 /nfs/dbraw/zinc/04/11/58/169041158.db2.gz OWYCPUFNFNEFKJ-SECBINFHSA-N 1 0 165.240 1.220 50 0 ADAARO Cn1cc([C@@H]2C[C@H]2[NH2+]C2CC2)cn1 263619760 169041400 /nfs/dbraw/zinc/04/14/00/169041400.db2.gz VRASZGSQKORZMO-VHSXEESVSA-N 1 0 177.251 1.028 50 0 ADAARO Cn1cc([C@H]([NH3+])C(C)(C)C)cn1 34957689 169041593 /nfs/dbraw/zinc/04/15/93/169041593.db2.gz GUMLATDFZDNUEG-QMMMGPOBSA-N 1 0 167.256 1.466 50 0 in-vitro ADAARO Cn1cc([C@@H]([NH3+])C(C)(C)C)cn1 34957688 169041702 /nfs/dbraw/zinc/04/17/02/169041702.db2.gz GUMLATDFZDNUEG-MRVPVSSYSA-N 1 0 167.256 1.466 50 0 in-vitro ADAARO Cn1cc([C@@H]2C[NH2+]CC2(C)C)cn1 238851130 169041733 /nfs/dbraw/zinc/04/17/33/169041733.db2.gz FGJPDJXTQDAZIQ-VIFPVBQESA-N 1 0 179.267 1.133 50 0 ADAARO Cn1cc([C@@H]2CCCC[NH2+]2)cn1 62772410 169041777 /nfs/dbraw/zinc/04/17/77/169041777.db2.gz FPOOUDDCZCGJML-VIFPVBQESA-N 1 0 165.240 1.235 50 0 in-vitro ADAARO Cn1cc([C@@H]2C[C@@H]2[NH2+]C2CC2)cn1 263619759 169041969 /nfs/dbraw/zinc/04/19/69/169041969.db2.gz VRASZGSQKORZMO-UWVGGRQHSA-N 1 0 177.251 1.028 50 0 ADAARO Cn1cc([C@H]([NH3+])c2ccccc2)cn1 34957654 169042078 /nfs/dbraw/zinc/04/20/78/169042078.db2.gz NYHWTLWTRNKUJD-LLVKDONJSA-N 1 0 187.246 1.468 50 0 in-vitro ADAARO Cn1cc([C@@H]([NH3+])c2ccccc2)cn1 34957655 169042475 /nfs/dbraw/zinc/04/24/75/169042475.db2.gz NYHWTLWTRNKUJD-NSHDSACASA-N 1 0 187.246 1.468 50 0 in-vitro ADAARO Cn1ccc(-c2ccc(C[NH3+])cc2)n1 12370174 169042685 /nfs/dbraw/zinc/04/26/85/169042685.db2.gz ABWRSDPFKICMIH-UHFFFAOYSA-N 1 0 187.246 1.546 50 0 ADAARO Cn1cc([C@H]2C[C@H]2[NH2+]C2CC2)cn1 263619758 169042705 /nfs/dbraw/zinc/04/27/05/169042705.db2.gz VRASZGSQKORZMO-NXEZZACHSA-N 1 0 177.251 1.028 50 0 ADAARO Cn1cc2c(C[NH3+])cccc2n1 36533305 169042833 /nfs/dbraw/zinc/04/28/33/169042833.db2.gz BYKAXYUHJAXWFP-UHFFFAOYSA-N 1 0 161.208 1.032 50 0 in-vitro ADAARO Cn1cc([C@H]2C[NH2+]CC2(C)C)cn1 238851129 169043040 /nfs/dbraw/zinc/04/30/40/169043040.db2.gz FGJPDJXTQDAZIQ-SECBINFHSA-N 1 0 179.267 1.133 50 0 ADAARO Cn1cc2c3c(cccc31)C[NH2+]CC2 34455159 169043107 /nfs/dbraw/zinc/04/31/07/169043107.db2.gz MDWVMEIPGBJOCI-UHFFFAOYSA-N 1 0 186.258 1.824 50 0 ADAARO Cn1cc([C@H]2CCCC[NH2+]2)cn1 62772411 169043189 /nfs/dbraw/zinc/04/31/89/169043189.db2.gz FPOOUDDCZCGJML-SECBINFHSA-N 1 0 165.240 1.235 50 0 in-vitro ADAARO Cn1cc2cccc(C[NH3+])c2n1 36533309 169043239 /nfs/dbraw/zinc/04/32/39/169043239.db2.gz LIIMTLFJRIQKEQ-UHFFFAOYSA-N 1 0 161.208 1.032 50 0 in-vitro ADAARO Cn1ccc(-c2cccc(C[NH3+])c2)n1 12370660 169043395 /nfs/dbraw/zinc/04/33/95/169043395.db2.gz IQTQCEKSCNRLFH-UHFFFAOYSA-N 1 0 187.246 1.546 50 0 ADAARO Cn1cc2cc(C[NH3+])ccc2n1 36533306 169043471 /nfs/dbraw/zinc/04/34/71/169043471.db2.gz OIVHQXDYGSOVOD-UHFFFAOYSA-N 1 0 161.208 1.032 50 0 ADAARO Cn1cc([C@H]2C[C@@H]2[NH2+]C2CC2)cn1 263619761 169043489 /nfs/dbraw/zinc/04/34/89/169043489.db2.gz VRASZGSQKORZMO-ZJUUUORDSA-N 1 0 177.251 1.028 50 0 ADAARO Cn1cc2ccc(C[NH3+])cc2n1 36533307 169043719 /nfs/dbraw/zinc/04/37/19/169043719.db2.gz ORWLQHZUHRSDNC-UHFFFAOYSA-N 1 0 161.208 1.032 50 0 ADAARO Cn1cc[n+](Cc2ccccc2)c1 2510888 169043865 /nfs/dbraw/zinc/04/38/65/169043865.db2.gz COSSPXYCRNRXRX-UHFFFAOYSA-N 1 0 173.239 1.361 50 0 ADAARO Cn1ccc(=[NH2+])c2ccccc21 135843727 169044274 /nfs/dbraw/zinc/04/42/74/169044274.db2.gz AZHUOPNKXMFIAA-UHFFFAOYSA-N 1 0 158.204 1.658 50 0 ADAARO Cn1ccc2c(N)cc[nH+]c21 88189514 169046850 /nfs/dbraw/zinc/04/68/50/169046850.db2.gz GJQJXFAYVWLRFM-UHFFFAOYSA-N 1 0 147.181 1.156 50 0 in-vitro ADAARO Cn1ccc([C@@H]2CCCC[NH2+]2)n1 49584858 169046868 /nfs/dbraw/zinc/04/68/68/169046868.db2.gz IWNZDKGBBPAKHP-QMMMGPOBSA-N 1 0 165.240 1.235 50 0 ADAARO Cn1ccc2c(C(N)=[NH2+])cccc21 20428470 169047012 /nfs/dbraw/zinc/04/70/12/169047012.db2.gz SCBVYXULKWYNBP-UHFFFAOYSA-N 1 0 173.219 1.462 50 0 ADAARO Cn1ccc([C@H]2CCCC[NH2+]2)n1 49584860 169047146 /nfs/dbraw/zinc/04/71/46/169047146.db2.gz IWNZDKGBBPAKHP-MRVPVSSYSA-N 1 0 165.240 1.235 50 0 ADAARO Cn1ccc2c(C[NH3+])cccc21 12370309 169047215 /nfs/dbraw/zinc/04/72/15/169047215.db2.gz WWWDKISXGAVFEQ-UHFFFAOYSA-N 1 0 160.220 1.637 50 0 in-vitro ADAARO Cn1ccc2cc(C[NH3+])ccc21 12370264 169047492 /nfs/dbraw/zinc/04/74/92/169047492.db2.gz XYCZKICJSDSNOW-UHFFFAOYSA-N 1 0 160.220 1.637 50 0 in-vitro ADAARO Cn1ccc2c[n+](C)ccc21 169795020 169047718 /nfs/dbraw/zinc/04/77/18/169047718.db2.gz QOPYHSMEKWTUQQ-UHFFFAOYSA-N 1 0 147.201 1.003 50 0 ADAARO Cn1ccc2cccc(C[NH3+])c21 12370801 169047943 /nfs/dbraw/zinc/04/79/43/169047943.db2.gz FXHZVBVUMCIDPK-UHFFFAOYSA-N 1 0 160.220 1.637 50 0 in-vitro ADAARO Cn1ccc2ccc(C[NH3+])cc21 12370287 169048225 /nfs/dbraw/zinc/04/82/25/169048225.db2.gz MVVXKNQNGUHIDO-UHFFFAOYSA-N 1 0 160.220 1.637 50 0 in-vitro ADAARO Cn1ccc2c[nH+]ccc21 26058761 169048296 /nfs/dbraw/zinc/04/82/96/169048296.db2.gz WIZGGYPJNCGAKV-UHFFFAOYSA-N 1 0 132.166 1.573 50 0 ADAARO Cn1cccc1C[NH2+]C[C@H]1CCCO1 360269 169048975 /nfs/dbraw/zinc/04/89/75/169048975.db2.gz GZQMGHPPFDQVOY-LLVKDONJSA-N 1 0 194.278 1.294 50 0 ADAARO Cn1cccc1C[NH2+]C[C@@H]1CCCO1 360271 169048981 /nfs/dbraw/zinc/04/89/81/169048981.db2.gz GZQMGHPPFDQVOY-NSHDSACASA-N 1 0 194.278 1.294 50 0 ADAARO Cn1cccc1C[NH2+]C1CC1 12351911 169049081 /nfs/dbraw/zinc/04/90/81/169049081.db2.gz IGTVNSXIKUIBOJ-UHFFFAOYSA-N 1 0 150.225 1.277 50 0 ADAARO Cn1cccc1C[NH2+]Cc1ccco1 7523738 169049309 /nfs/dbraw/zinc/04/93/09/169049309.db2.gz OPHLVQQCUYMCQV-UHFFFAOYSA-N 1 0 190.246 1.908 50 0 ADAARO Cn1cccc1[C@@H]1CCC[NH2+]1 4205172 169049485 /nfs/dbraw/zinc/04/94/85/169049485.db2.gz LPQOQICHBQVFGC-QMMMGPOBSA-N 1 0 150.225 1.450 50 0 in-vitro ADAARO Cn1cccc1[C@H]1CCC[NH2+]1 4205174 169049564 /nfs/dbraw/zinc/04/95/64/169049564.db2.gz LPQOQICHBQVFGC-MRVPVSSYSA-N 1 0 150.225 1.450 50 0 in-vitro ADAARO Cn1cccc2c(=[NH2+])cccc1-2 334139260 169049592 /nfs/dbraw/zinc/04/95/92/169049592.db2.gz ZMJBCEIHNOWCMC-UHFFFAOYSA-N 1 0 158.204 1.609 50 0 ADAARO Cn1cccc1[C@H]1CCCC[NH2+]1 20444406 169049851 /nfs/dbraw/zinc/04/98/51/169049851.db2.gz XJFSGOBXUPDUBU-SECBINFHSA-N 1 0 164.252 1.840 50 0 in-vitro ADAARO Cn1cccc1[C@@H](C[NH3+])N1CCCC1 70636468 169050122 /nfs/dbraw/zinc/05/01/22/169050122.db2.gz WUTQHOXNRYJTGS-LLVKDONJSA-N 1 0 193.294 1.121 50 0 ADAARO Cn1cccc1[C@@H]1CCCC[NH2+]1 20444401 169050340 /nfs/dbraw/zinc/05/03/40/169050340.db2.gz XJFSGOBXUPDUBU-VIFPVBQESA-N 1 0 164.252 1.840 50 0 in-vitro ADAARO Cn1cccc1[C@H](C[NH3+])N1CCCC1 70636469 169050522 /nfs/dbraw/zinc/05/05/22/169050522.db2.gz WUTQHOXNRYJTGS-NSHDSACASA-N 1 0 193.294 1.121 50 0 ADAARO Cn1ccnc1CC[C@@H]1CCCC[NH2+]1 19088963 169051114 /nfs/dbraw/zinc/05/11/14/169051114.db2.gz UGZHKOHMLHYYQC-JTQLQIEISA-N 1 0 193.294 1.495 50 0 ADAARO Cn1ccnc1CC[C@H]1CCCC[NH2+]1 19088966 169051733 /nfs/dbraw/zinc/05/17/33/169051733.db2.gz UGZHKOHMLHYYQC-SNVBAGLBSA-N 1 0 193.294 1.495 50 0 ADAARO Cn1ccnc1-c1cccc(C[NH3+])c1 69027589 169052273 /nfs/dbraw/zinc/05/22/73/169052273.db2.gz ZABFXUZRZNFHFJ-UHFFFAOYSA-N 1 0 187.246 1.546 50 0 in-vitro ADAARO Cn1ccnc1[C@H]([NH3+])c1ccccc1 3888548 169053179 /nfs/dbraw/zinc/05/31/79/169053179.db2.gz NXDJOGFBTIDOQK-SNVBAGLBSA-N 1 0 187.246 1.468 50 0 in-vitro ADAARO Cn1ccnc1SC[C@H]1CCC[NH2+]1 21304355 169053194 /nfs/dbraw/zinc/05/31/94/169053194.db2.gz MRZHGEQPLXESTJ-MRVPVSSYSA-N 1 0 197.307 1.264 50 0 ADAARO Cn1ccnc1[C@@H]1CCC[C@@H]([NH3+])C1 70637051 169053280 /nfs/dbraw/zinc/05/32/80/169053280.db2.gz SQABZNUSMMDNOR-RKDXNWHRSA-N 1 0 179.267 1.405 50 0 in-vitro ADAARO Cn1ccnc1[C@@H]([NH3+])c1ccccc1 3888549 169053408 /nfs/dbraw/zinc/05/34/08/169053408.db2.gz NXDJOGFBTIDOQK-JTQLQIEISA-N 1 0 187.246 1.468 50 0 in-vitro ADAARO Cn1ccnc1[C@H]1CCC[C@H]([NH3+])C1 70637050 169053479 /nfs/dbraw/zinc/05/34/79/169053479.db2.gz SQABZNUSMMDNOR-IUCAKERBSA-N 1 0 179.267 1.405 50 0 in-vitro ADAARO Cn1ccnc1[C@H]1CCC[C@@H]([NH3+])C1 70637053 169053726 /nfs/dbraw/zinc/05/37/26/169053726.db2.gz SQABZNUSMMDNOR-DTWKUNHWSA-N 1 0 179.267 1.405 50 0 in-vitro ADAARO Cn1ccnc1SC[C@@H]1CCC[NH2+]1 43497210 169053817 /nfs/dbraw/zinc/05/38/17/169053817.db2.gz MRZHGEQPLXESTJ-QMMMGPOBSA-N 1 0 197.307 1.264 50 0 ADAARO Cn1ccnc1[C@@H]1CCC[C@H]([NH3+])C1 70637048 169053946 /nfs/dbraw/zinc/05/39/46/169053946.db2.gz SQABZNUSMMDNOR-BDAKNGLRSA-N 1 0 179.267 1.405 50 0 in-vitro ADAARO Cn1ccnc1[C@H]1[NH2+]CC1(C)C 238855681 169054105 /nfs/dbraw/zinc/05/41/05/169054105.db2.gz SQDVFSUKXAUQSO-SSDOTTSWSA-N 1 0 165.240 1.091 50 0 ADAARO Cn1ccnc1[C@@H]1[NH2+]CC1(C)C 238855682 169054354 /nfs/dbraw/zinc/05/43/54/169054354.db2.gz SQDVFSUKXAUQSO-ZETCQYMHSA-N 1 0 165.240 1.091 50 0 ADAARO Cn1c[nH+]c2cccc(N)c21 34413432 169057589 /nfs/dbraw/zinc/05/75/89/169057589.db2.gz PRFCNMRCNKHJLO-UHFFFAOYSA-N 1 0 147.181 1.156 50 0 in-vitro ADAARO Cn1cnc2cccc(C[NH3+])c21 82850324 169057664 /nfs/dbraw/zinc/05/76/64/169057664.db2.gz OZKKOKLXERQATF-UHFFFAOYSA-N 1 0 161.208 1.032 50 0 ADAARO Cn1cncc1[C@@H]1CCCC[NH2+]1 82851765 169057684 /nfs/dbraw/zinc/05/76/84/169057684.db2.gz ADTPDEYYFOVJIM-QMMMGPOBSA-N 1 0 165.240 1.235 50 0 in-vitro ADAARO Cn1cncc1[C@H]1CCCC[NH2+]1 82851766 169058717 /nfs/dbraw/zinc/05/87/17/169058717.db2.gz ADTPDEYYFOVJIM-MRVPVSSYSA-N 1 0 165.240 1.235 50 0 in-vitro ADAARO Cn1nc(-c2ccco2)cc1C[NH3+] 72226273 169059865 /nfs/dbraw/zinc/05/98/65/169059865.db2.gz FTWARMYYRVTKOJ-UHFFFAOYSA-N 1 0 177.207 1.139 50 0 ADAARO Cn1nc(-c2cccs2)cc1C[NH3+] 12370343 169060102 /nfs/dbraw/zinc/06/01/02/169060102.db2.gz RFQXEUUHJMAUDI-UHFFFAOYSA-N 1 0 193.275 1.607 50 0 ADAARO Cn1nc(-c2ccccc2)cc1C[NH3+] 9280250 169060135 /nfs/dbraw/zinc/06/01/35/169060135.db2.gz XAVNJYHSYZUYFI-UHFFFAOYSA-N 1 0 187.246 1.546 50 0 in-vitro ADAARO CN1N=[O+]C(=O)C1C(F)(F)F 95093593 169060398 /nfs/dbraw/zinc/06/03/98/169060398.db2.gz JMNOWUJVBPDIPD-UHFFFAOYSA-O 1 0 169.082 1.019 50 0 ADAARO Cn1nc(CC[NH3+])c2ccccc21 82868691 169060747 /nfs/dbraw/zinc/06/07/47/169060747.db2.gz XKHBXALMWBBDAN-UHFFFAOYSA-N 1 0 175.235 1.075 50 0 in-vitro ADAARO Cn1nc(C(C)(C)C)cc1C(N)=[NH2+] 91695983 169060832 /nfs/dbraw/zinc/06/08/32/169060832.db2.gz PHGHKHVCDSPQJU-UHFFFAOYSA-N 1 0 180.255 1.002 50 0 ADAARO Cn1nc(C(C)(C)[NH3+])c2ccccc21 82881815 169061044 /nfs/dbraw/zinc/06/10/44/169061044.db2.gz DDPYIBKNGOPFTR-UHFFFAOYSA-N 1 0 189.262 1.767 50 0 ADAARO Cn1nc(C[NH3+])c(Cl)c1Cl 12394333 169061064 /nfs/dbraw/zinc/06/10/64/169061064.db2.gz ACKDGAGWVNOOAZ-UHFFFAOYSA-N 1 0 180.038 1.186 50 0 ADAARO Cn1nc(Cl)c2cc(C[NH3+])ccc21 76190696 169061155 /nfs/dbraw/zinc/06/11/55/169061155.db2.gz GDIWQUSXGLJDBI-UHFFFAOYSA-N 1 0 195.653 1.685 50 0 ADAARO Cn1nc(C[NH3+])c2c(Cl)cccc21 19092974 169061920 /nfs/dbraw/zinc/06/19/20/169061920.db2.gz UGHJGGLJSVXACJ-UHFFFAOYSA-N 1 0 195.653 1.685 50 0 in-vitro ADAARO Cn1nc(C[NH3+])cc1-c1ccco1 20270475 169062089 /nfs/dbraw/zinc/06/20/89/169062089.db2.gz KSJFYANVAAIXER-UHFFFAOYSA-N 1 0 177.207 1.139 50 0 ADAARO Cn1nc(C[NH3+])c2ccccc21 5177580 169062272 /nfs/dbraw/zinc/06/22/72/169062272.db2.gz SNWIPUWAHWNMKG-UHFFFAOYSA-N 1 0 161.208 1.032 50 0 in-vitro ADAARO Cn1ncc2cc(C[NH3+])ccc21 36533302 169064752 /nfs/dbraw/zinc/06/47/52/169064752.db2.gz ILYZCZGIDUYDOI-UHFFFAOYSA-N 1 0 161.208 1.032 50 0 in-vitro ADAARO Cn1ncc2cc(CC[NH3+])ccc21 35570431 169065762 /nfs/dbraw/zinc/06/57/62/169065762.db2.gz LHXUJNARGXBDJX-UHFFFAOYSA-N 1 0 175.235 1.075 50 0 in-vitro ADAARO Cn1ncc2c(C[NH3+])cccc21 36533301 169066149 /nfs/dbraw/zinc/06/61/49/169066149.db2.gz PHNWDOCBKIJZPF-UHFFFAOYSA-N 1 0 161.208 1.032 50 0 in-vitro ADAARO Cn1ncc2cccc(C[NH3+])c21 36533304 169066718 /nfs/dbraw/zinc/06/67/18/169066718.db2.gz WZOAEPYOQRNXMC-UHFFFAOYSA-N 1 0 161.208 1.032 50 0 ADAARO Cn1ncc2ccc(C[NH3+])cc21 36533303 169066860 /nfs/dbraw/zinc/06/68/60/169066860.db2.gz SCHZPLZUVGWXMA-UHFFFAOYSA-N 1 0 161.208 1.032 50 0 in-vitro ADAARO Cn1nccc1[C@H]1CCCC[NH2+]1 67424459 169067062 /nfs/dbraw/zinc/06/70/62/169067062.db2.gz PDHQNRUUIJHWGJ-MRVPVSSYSA-N 1 0 165.240 1.235 50 0 in-vitro ADAARO Cn1nccc1[C@@H]([NH3+])c1ccccc1 4985888 169067305 /nfs/dbraw/zinc/06/73/05/169067305.db2.gz VKNRMXMAIWNLNK-NSHDSACASA-N 1 0 187.246 1.468 50 0 ADAARO Cn1nccc1[C@@H]1CCCC[NH2+]1 67424457 169067339 /nfs/dbraw/zinc/06/73/39/169067339.db2.gz PDHQNRUUIJHWGJ-QMMMGPOBSA-N 1 0 165.240 1.235 50 0 in-vitro ADAARO Cn1nccc1[C@H]([NH3+])c1ccccc1 4985886 169067930 /nfs/dbraw/zinc/06/79/30/169067930.db2.gz VKNRMXMAIWNLNK-LLVKDONJSA-N 1 0 187.246 1.468 50 0 ADAARO FC(F)(F)CC1CC[NH2+]CC1 74942553 169070734 /nfs/dbraw/zinc/07/07/34/169070734.db2.gz KFZIRTLPMRPYID-UHFFFAOYSA-N 1 0 167.174 1.938 50 0 in-vitro ADAARO FC(F)(F)CO[C@H]1CCC[NH2+]C1 20282568 169070819 /nfs/dbraw/zinc/07/08/19/169070819.db2.gz LGGONXZZCBEARG-LURJTMIESA-N 1 0 183.173 1.317 50 0 ADAARO FC(F)(F)C1=CC=[NH+]CCN1 2578139 169070919 /nfs/dbraw/zinc/07/09/19/169070919.db2.gz DQLAMAHCMYJIBW-UHFFFAOYSA-N 1 0 164.130 1.107 50 0 ADAARO FC(F)(F)OC[C@H]1CCCC[NH2+]1 91252401 169070925 /nfs/dbraw/zinc/07/09/25/169070925.db2.gz NBXMZHXLXHFGLZ-ZCFIWIBFSA-N 1 0 183.173 1.665 50 0 ADAARO FC(F)(F)C[C@@H]1CCC[NH2+]C1 82402653 169071013 /nfs/dbraw/zinc/07/10/13/169071013.db2.gz MEVDKKNXAXXWFY-LURJTMIESA-N 1 0 167.174 1.938 50 0 in-vitro ADAARO FC(F)(F)COCC1CC[NH2+]CC1 19519651 169071039 /nfs/dbraw/zinc/07/10/39/169071039.db2.gz RALNDHPVNBOEST-UHFFFAOYSA-N 1 0 197.200 1.565 50 0 in-vitro ADAARO FC(F)(F)OC1CC[NH2+]CC1 91252398 169071091 /nfs/dbraw/zinc/07/10/91/169071091.db2.gz XXGQGFIISHCNSE-UHFFFAOYSA-N 1 0 169.146 1.275 50 0 in-vitro ADAARO FC(F)(F)C1CC[NH2+]CC1 2575344 169071096 /nfs/dbraw/zinc/07/10/96/169071096.db2.gz RDRQUUWCJTYHCT-UHFFFAOYSA-N 1 0 153.147 1.548 50 0 in-vitro ADAARO FC(F)(F)OC[C@@H]1CCCC[NH2+]1 91252400 169071190 /nfs/dbraw/zinc/07/11/90/169071190.db2.gz NBXMZHXLXHFGLZ-LURJTMIESA-N 1 0 183.173 1.665 50 0 ADAARO FC(F)(F)C[C@H]1CC[NH2+]C1 60280116 169071358 /nfs/dbraw/zinc/07/13/58/169071358.db2.gz PTXOIRIEXVHPML-RXMQYKEDSA-N 1 0 153.147 1.548 50 0 in-vitro ADAARO FC(F)(F)C1=CC[NH2+]CC1 16159009 169071542 /nfs/dbraw/zinc/07/15/42/169071542.db2.gz PDOWUEWDTGKXGZ-UHFFFAOYSA-N 1 0 151.131 1.468 50 0 in-vitro ADAARO FC(F)(F)C[C@@H]1CC[NH2+]C1 60280114 169071591 /nfs/dbraw/zinc/07/15/91/169071591.db2.gz PTXOIRIEXVHPML-YFKPBYRVSA-N 1 0 153.147 1.548 50 0 in-vitro ADAARO FC(F)(F)CC[NH2+]CC1CC1 37927751 169071605 /nfs/dbraw/zinc/07/16/05/169071605.db2.gz NFTFVLSJBASQLS-UHFFFAOYSA-N 1 0 167.174 1.938 50 0 in-vitro ADAARO FC(F)(F)CCOC1CC[NH2+]CC1 70914342 169071701 /nfs/dbraw/zinc/07/17/01/169071701.db2.gz NDXWNMUUIZABOM-UHFFFAOYSA-N 1 0 197.200 1.707 50 0 ADAARO FC(F)(F)CC1C[NH2+]C1 75772185 169071733 /nfs/dbraw/zinc/07/17/33/169071733.db2.gz CHNUKKDPKWKADW-UHFFFAOYSA-N 1 0 139.120 1.158 50 0 in-vitro ADAARO FC(F)(F)CO[C@@H]1CCC[NH2+]C1 20282564 169071866 /nfs/dbraw/zinc/07/18/66/169071866.db2.gz LGGONXZZCBEARG-ZCFIWIBFSA-N 1 0 183.173 1.317 50 0 ADAARO FC(F)(F)C[C@H]1CCC[NH2+]C1 82402652 169071904 /nfs/dbraw/zinc/07/19/04/169071904.db2.gz MEVDKKNXAXXWFY-ZCFIWIBFSA-N 1 0 167.174 1.938 50 0 in-vitro ADAARO FC(F)(F)C[C@@H]1CCC[NH2+]1 19263756 169071943 /nfs/dbraw/zinc/07/19/43/169071943.db2.gz YMNGGKANKDQBRB-YFKPBYRVSA-N 1 0 153.147 1.691 50 0 in-vitro ADAARO FC(F)(F)C[C@H]1CCC[NH2+]1 19263758 169072071 /nfs/dbraw/zinc/07/20/71/169072071.db2.gz YMNGGKANKDQBRB-RXMQYKEDSA-N 1 0 153.147 1.691 50 0 in-vitro ADAARO FC(F)(F)[C@@H]1[C@@H]2CC[NH2+][C@@H]21 44672474 169072239 /nfs/dbraw/zinc/07/22/39/169072239.db2.gz KVCSRQUURKKCKG-LMVFSUKVSA-N 1 0 151.131 1.157 50 0 in-vitro ADAARO FC(F)(F)c1cnc2c(c1)C[NH2+]C2 71791092 169072472 /nfs/dbraw/zinc/07/24/72/169072472.db2.gz SXVAWVOBVDWMMD-UHFFFAOYSA-N 1 0 188.152 1.704 50 0 ADAARO FC(F)(F)[C@@H]1[C@H]2CCC[NH2+][C@H]21 39947700 169072502 /nfs/dbraw/zinc/07/25/02/169072502.db2.gz CEPLETWJBJZUIU-HSUXUTPPSA-N 1 0 165.158 1.547 50 0 in-vitro ADAARO FC(F)(F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 100615232 169072670 /nfs/dbraw/zinc/07/26/70/169072670.db2.gz AFJGFMLXPMHAHR-SCDXWVJYSA-N 1 0 151.131 1.014 50 0 ADAARO FC(F)(F)c1n[nH]c2c1CC[NH2+]C2 95670833 169072680 /nfs/dbraw/zinc/07/26/80/169072680.db2.gz HAFWGKFNWMBKHL-ZCFIWIBFSA-N 1 0 191.156 1.631 50 0 ADAARO FC(F)(F)c1n[nH]c2c1CC[NH2+]C2 87611296 169072723 /nfs/dbraw/zinc/07/27/23/169072723.db2.gz HAFWGKFNWMBKHL-LURJTMIESA-N 1 0 191.156 1.631 50 0 ADAARO FC(F)(F)[C@H]1CCC[NH2+]C1 3885535 169072742 /nfs/dbraw/zinc/07/27/42/169072742.db2.gz JOHFJTBDUSVGQB-YFKPBYRVSA-N 1 0 153.147 1.548 50 0 in-vitro ADAARO FC(F)(F)c1cc2n(n1)CC[NH2+]C2 83277732 169072827 /nfs/dbraw/zinc/07/28/27/169072827.db2.gz UHWFJKFWEYJJJK-UHFFFAOYSA-N 1 0 191.156 1.005 50 0 ADAARO FC(F)(F)[C@@H]1[C@@H]2CCC[NH2+][C@@H]21 83295799 169072926 /nfs/dbraw/zinc/07/29/26/169072926.db2.gz CEPLETWJBJZUIU-JKUQZMGJSA-N 1 0 165.158 1.547 50 0 in-vitro ADAARO FC(F)(F)[C@@]12C[NH2+]C[C@@H]1C2 47844959 169073018 /nfs/dbraw/zinc/07/30/18/169073018.db2.gz APMFRUCEZGLPEN-WHFBIAKZSA-N 1 0 151.131 1.158 50 0 in-vitro ADAARO FC(F)(F)c1cc2c(cn1)C[NH2+]C2 75562918 169073036 /nfs/dbraw/zinc/07/30/36/169073036.db2.gz GBWPAHRRBFWCLD-UHFFFAOYSA-N 1 0 188.152 1.704 50 0 ADAARO FC(F)(F)c1ccc2c(n1)C[NH2+]C2 72190635 169073062 /nfs/dbraw/zinc/07/30/62/169073062.db2.gz RXRGPQZDUXFAAD-UHFFFAOYSA-N 1 0 188.152 1.704 50 0 ADAARO FC(F)(F)[C@]12C[NH2+]C[C@H]1C2 47844958 169073085 /nfs/dbraw/zinc/07/30/85/169073085.db2.gz APMFRUCEZGLPEN-RFZPGFLSSA-N 1 0 151.131 1.158 50 0 in-vitro ADAARO FC(F)(F)[C@H]1CC[NH2+]C1 12955166 169073091 /nfs/dbraw/zinc/07/30/91/169073091.db2.gz HCWXUWGQMOEJJJ-BYPYZUCNSA-N 1 0 139.120 1.158 50 0 in-vitro ADAARO FC(F)(F)[C@@H]1[C@H]2CC[NH2+][C@H]21 32629482 169073096 /nfs/dbraw/zinc/07/30/96/169073096.db2.gz KVCSRQUURKKCKG-UOWFLXDJSA-N 1 0 151.131 1.157 50 0 in-vitro ADAARO FC(F)[C@H]1CCC[NH2+]C1 71257518 169073821 /nfs/dbraw/zinc/07/38/21/169073821.db2.gz SAEGBAIURUCXRY-YFKPBYRVSA-N 1 0 135.157 1.251 50 0 ADAARO FC(F)OC[C@@H]1CCC[NH2+]C1 115846966 169073905 /nfs/dbraw/zinc/07/39/05/169073905.db2.gz JPLWHENCWSONCD-ZCFIWIBFSA-N 1 0 165.183 1.225 50 0 ADAARO FC(F)Oc1cccc2c1CC[NH2+]C2 52095214 169073951 /nfs/dbraw/zinc/07/39/51/169073951.db2.gz LXIIDDMPFGDQIK-UHFFFAOYSA-N 1 0 199.200 1.934 50 0 ADAARO FC(F)[C@H]1CCC[NH2+]1 95774701 169074184 /nfs/dbraw/zinc/07/41/84/169074184.db2.gz BRJUDDAYKBMPMV-SCSAIBSYSA-N 1 0 121.130 1.004 50 0 in-vitro ADAARO FC(F)C1CC[NH2+]CC1 71257511 169074586 /nfs/dbraw/zinc/07/45/86/169074586.db2.gz DOZRCMTUKBBOSG-UHFFFAOYSA-N 1 0 135.157 1.251 50 0 in-vitro ADAARO FC(F)[C@@H]1CCC[NH2+]1 57218849 169074600 /nfs/dbraw/zinc/07/46/00/169074600.db2.gz BRJUDDAYKBMPMV-BYPYZUCNSA-N 1 0 121.130 1.004 50 0 in-vitro ADAARO FC1(F)C(F)(F)C12CC[NH2+]CC2 390822144 169074606 /nfs/dbraw/zinc/07/46/06/169074606.db2.gz KYATVPQLRMURIU-UHFFFAOYSA-N 1 0 183.148 1.640 50 0 ADAARO FC(F)c1n[nH]cc1C[NH2+]C1CC1 85654864 169074667 /nfs/dbraw/zinc/07/46/67/169074667.db2.gz QXBDSUCBPDHSTM-UHFFFAOYSA-N 1 0 187.193 1.599 50 0 ADAARO FC(F)n1ccnc1C[NH2+]C1CC1 20285931 169074718 /nfs/dbraw/zinc/07/47/18/169074718.db2.gz VLTCUTZORLVKPS-UHFFFAOYSA-N 1 0 187.193 1.530 50 0 ADAARO FC(F)Oc1ccc2c(c1)C[NH2+]CC2 38342378 169074733 /nfs/dbraw/zinc/07/47/33/169074733.db2.gz CWOOHDQSXLJQCH-UHFFFAOYSA-N 1 0 199.200 1.934 50 0 in-vitro ADAARO FC(F)[C@@H]1CCC[NH2+]C1 71257519 169074825 /nfs/dbraw/zinc/07/48/25/169074825.db2.gz SAEGBAIURUCXRY-RXMQYKEDSA-N 1 0 135.157 1.251 50 0 ADAARO FC1(C2CC2)CC[NH2+]CC1 23789533 169074873 /nfs/dbraw/zinc/07/48/73/169074873.db2.gz CKVVJEYHFYGYOE-UHFFFAOYSA-N 1 0 143.205 1.488 50 0 ADAARO FC(F)OC[C@H]1CCC[NH2+]C1 115846969 169074965 /nfs/dbraw/zinc/07/49/65/169074965.db2.gz JPLWHENCWSONCD-LURJTMIESA-N 1 0 165.183 1.225 50 0 ADAARO FC(F)COC1CC[NH2+]CC1 37756315 169075012 /nfs/dbraw/zinc/07/50/12/169075012.db2.gz LZDWLGPCSOQYAV-UHFFFAOYSA-N 1 0 165.183 1.020 50 0 ADAARO FC(F)C[NH2+]CC1CCC1 37755862 169075120 /nfs/dbraw/zinc/07/51/20/169075120.db2.gz KPYZWBAPTXFEPM-UHFFFAOYSA-N 1 0 149.184 1.641 50 0 ADAARO FC1=CCC[N@H+](C[C@@H]2CCOC2)C1 335630373 169075477 /nfs/dbraw/zinc/07/54/77/169075477.db2.gz RJJPGHLFYSFKSC-VIFPVBQESA-N 1 0 185.242 1.582 50 0 ADAARO FC1(c2ccccn2)CC[NH2+]CC1 91692747 169075584 /nfs/dbraw/zinc/07/55/84/169075584.db2.gz MVSVTHNWKJDHKF-UHFFFAOYSA-N 1 0 180.226 1.630 50 0 in-vitro ADAARO FC1(F)[C@@H]2CC[NH2+]CC[C@H]21 95774620 169075648 /nfs/dbraw/zinc/07/56/48/169075648.db2.gz MIOSWEIGQFUFDC-PHDIDXHHSA-N 1 0 147.168 1.251 50 0 ADAARO FC1(F)C[C@@H]2C[NH2+]C[C@H]2C1 98091348 169075677 /nfs/dbraw/zinc/07/56/77/169075677.db2.gz HQFKSNZDIHXZME-PHDIDXHHSA-N 1 0 147.168 1.251 50 0 ADAARO FC1(F)C[C@@]12CCC[NH2+]CC2 95774666 169075720 /nfs/dbraw/zinc/07/57/20/169075720.db2.gz AZFCBJAFCIKGQD-ZETCQYMHSA-N 1 0 161.195 1.785 50 0 ADAARO FC1(F)CCC12C[NH2+]C2 91305857 169075731 /nfs/dbraw/zinc/07/57/31/169075731.db2.gz NZYYXJQEQOFFFW-UHFFFAOYSA-N 1 0 133.141 1.005 50 0 in-vitro ADAARO FC1(F)CCN(C2CC[NH2+]CC2)C1 71257255 169075781 /nfs/dbraw/zinc/07/57/81/169075781.db2.gz HLHFAPNXTVOVGE-UHFFFAOYSA-N 1 0 190.237 1.079 50 0 ADAARO FC1(F)C[C@@]12CCC[NH2+]C2 95774515 169075829 /nfs/dbraw/zinc/07/58/29/169075829.db2.gz QSPBRUMTUBKORH-ZCFIWIBFSA-N 1 0 147.168 1.395 50 0 in-vitro ADAARO FC1(F)C[C@@H]2CC[C@H](C1)[NH2+]2 68577049 169075837 /nfs/dbraw/zinc/07/58/37/169075837.db2.gz AKJFMHVBXXBGNT-OLQVQODUSA-N 1 0 147.168 1.536 50 0 in-vitro ADAARO FC1(F)[C@H]2CCC[C@@H]1C[NH2+]C2 57218857 169075849 /nfs/dbraw/zinc/07/58/49/169075849.db2.gz NGVPSBONRJASED-KNVOCYPGSA-N 1 0 161.195 1.641 50 0 ADAARO FC1(F)C[C@]12CC[NH2+]C2 39326137 169075855 /nfs/dbraw/zinc/07/58/55/169075855.db2.gz AMKKJOJODSUMDI-YFKPBYRVSA-N 1 0 133.141 1.005 50 0 in-vitro ADAARO FC1(F)[C@H]2CC[NH2+]CC[C@@H]21 95774623 169075874 /nfs/dbraw/zinc/07/58/74/169075874.db2.gz MIOSWEIGQFUFDC-WDSKDSINSA-N 1 0 147.168 1.251 50 0 ADAARO FC1(F)C[C@H]2C[NH2+]C[C@@H]2C1 98091347 169075943 /nfs/dbraw/zinc/07/59/43/169075943.db2.gz HQFKSNZDIHXZME-WDSKDSINSA-N 1 0 147.168 1.251 50 0 ADAARO FC1(F)C[C@@]12CC[NH2+]C2 39326139 169075962 /nfs/dbraw/zinc/07/59/62/169075962.db2.gz AMKKJOJODSUMDI-RXMQYKEDSA-N 1 0 133.141 1.005 50 0 in-vitro ADAARO FC1(F)CC12CC[NH2+]CC2 39088300 169076002 /nfs/dbraw/zinc/07/60/02/169076002.db2.gz NESANIIIIJLTDB-UHFFFAOYSA-N 1 0 147.168 1.395 50 0 in-vitro ADAARO FC1(F)C[C@@H]2C[NH2+]C[C@@H]2C1 91302533 169076129 /nfs/dbraw/zinc/07/61/29/169076129.db2.gz HQFKSNZDIHXZME-OLQVQODUSA-N 1 0 147.168 1.251 50 0 in-vitro ADAARO FC1(F)CC[C@@H]2C[NH2+]C[C@@H]21 82162953 169076208 /nfs/dbraw/zinc/07/62/08/169076208.db2.gz AXWZHQLOPCLIMR-RITPCOANSA-N 1 0 147.168 1.251 50 0 ADAARO FC1(F)C[C@]12CCC[NH2+]C2 95774517 169076220 /nfs/dbraw/zinc/07/62/20/169076220.db2.gz QSPBRUMTUBKORH-LURJTMIESA-N 1 0 147.168 1.395 50 0 in-vitro ADAARO FC1(F)CC[NH2+]CC1 2243193 169076296 /nfs/dbraw/zinc/07/62/96/169076296.db2.gz MJOUJKDTBGXKIU-UHFFFAOYSA-N 1 0 121.130 1.005 50 0 in-vitro ADAARO FC1(F)CC([NH2+][C@@H]2CCSC2)C1 307011902 169076335 /nfs/dbraw/zinc/07/63/35/169076335.db2.gz KIHJZGZARHKQDX-ZCFIWIBFSA-N 1 0 193.262 1.879 50 0 ADAARO FC1(F)C[C@]12CCC[NH2+]CC2 95774664 169076485 /nfs/dbraw/zinc/07/64/85/169076485.db2.gz AZFCBJAFCIKGQD-SSDOTTSWSA-N 1 0 161.195 1.785 50 0 ADAARO FC1(F)CC2(CC[NH2+]CC2)C1 91362361 169076575 /nfs/dbraw/zinc/07/65/75/169076575.db2.gz CYBQIURZQOPXGG-UHFFFAOYSA-N 1 0 161.195 1.785 50 0 in-vitro ADAARO FC1(F)COC2(CC[NH2+]CC2)C1 91305564 169076581 /nfs/dbraw/zinc/07/65/81/169076581.db2.gz TXDBSMYUFFCTNM-UHFFFAOYSA-N 1 0 177.194 1.164 50 0 ADAARO FC1=CCC[N@H+](C[C@H]2CCOC2)C1 335630372 169076616 /nfs/dbraw/zinc/07/66/16/169076616.db2.gz RJJPGHLFYSFKSC-SECBINFHSA-N 1 0 185.242 1.582 50 0 ADAARO FC1CC2(CC[NH2+]CC2)C1 91305817 169076679 /nfs/dbraw/zinc/07/66/79/169076679.db2.gz CAAUWYSOYZZNHE-UHFFFAOYSA-N 1 0 143.205 1.488 50 0 in-vitro ADAARO FC1(F)CC[C@H]2C[NH2+]C[C@@H]21 82162949 169076690 /nfs/dbraw/zinc/07/66/90/169076690.db2.gz AXWZHQLOPCLIMR-WDSKDSINSA-N 1 0 147.168 1.251 50 0 ADAARO FC1(F)CC[C@H]2C[NH2+]C[C@H]21 82162951 169076732 /nfs/dbraw/zinc/07/67/32/169076732.db2.gz AXWZHQLOPCLIMR-NTSWFWBYSA-N 1 0 147.168 1.251 50 0 in-vitro ADAARO FC1(F)CC([NH2+][C@H]2CCSC2)C1 307011901 169076758 /nfs/dbraw/zinc/07/67/58/169076758.db2.gz KIHJZGZARHKQDX-LURJTMIESA-N 1 0 193.262 1.879 50 0 ADAARO FC1(F)CCC[NH2+]CC1 44682190 169076787 /nfs/dbraw/zinc/07/67/87/169076787.db2.gz JGHLRHACKQVDPU-UHFFFAOYSA-N 1 0 135.157 1.395 50 0 in-vitro ADAARO FC1(F)[C@H]2CC[NH2+]CC[C@H]21 95774621 169076806 /nfs/dbraw/zinc/07/68/06/169076806.db2.gz MIOSWEIGQFUFDC-OLQVQODUSA-N 1 0 147.168 1.251 50 0 ADAARO FC1(F)CC[C@@H]2C[NH2+]C[C@H]21 82162955 169077000 /nfs/dbraw/zinc/07/70/00/169077000.db2.gz AXWZHQLOPCLIMR-PHDIDXHHSA-N 1 0 147.168 1.251 50 0 ADAARO FC1(F)CC2(C[NH2+]C2)C1 71373322 169077031 /nfs/dbraw/zinc/07/70/31/169077031.db2.gz HSTZDPVQCODIFA-UHFFFAOYSA-N 1 0 133.141 1.005 50 0 in-vitro ADAARO FC1(F)CC2(CC[NH2+]2)C1 95742763 169077035 /nfs/dbraw/zinc/07/70/35/169077035.db2.gz HIWIUZIUJJUMNR-UHFFFAOYSA-N 1 0 133.141 1.148 50 0 ADAARO FC1(c2cccnc2)CC[NH2+]CC1 107127491 169077112 /nfs/dbraw/zinc/07/71/12/169077112.db2.gz MXNODKZXBKGGGT-UHFFFAOYSA-N 1 0 180.226 1.630 50 0 ADAARO FC[C@@H]1CCCC[NH2+]1 47845075 169077525 /nfs/dbraw/zinc/07/75/25/169077525.db2.gz VMMNQROZBNSKSB-LURJTMIESA-N 1 0 117.167 1.098 50 0 ADAARO FC[C@@]1(C(F)(F)F)CC[NH2+]C1 261508284 169077601 /nfs/dbraw/zinc/07/76/01/169077601.db2.gz RALOLKZCMREMEE-YFKPBYRVSA-N 1 0 171.137 1.498 50 0 ADAARO FCCOCCC1CC[NH2+]CC1 42771552 169077747 /nfs/dbraw/zinc/07/77/47/169077747.db2.gz SECDZLUVHXBBKO-UHFFFAOYSA-N 1 0 175.247 1.362 50 0 ADAARO FCCOCC[C@@H]1CCCC[NH2+]1 42771563 169077868 /nfs/dbraw/zinc/07/78/68/169077868.db2.gz WKHPCGXATVAVKR-VIFPVBQESA-N 1 0 175.247 1.505 50 0 ADAARO FCCC1CC[NH2+]CC1 91252209 169078203 /nfs/dbraw/zinc/07/82/03/169078203.db2.gz VJNFFUNNAHYRRH-UHFFFAOYSA-N 1 0 131.194 1.346 50 0 in-vitro ADAARO FC[C@@H]1C[NH2+]C[C@H]1C(F)(F)F 261507297 169078338 /nfs/dbraw/zinc/07/83/38/169078338.db2.gz HFFAZDBBGVSQQA-RFZPGFLSSA-N 1 0 171.137 1.354 50 0 ADAARO FCC[C@H]1CCC[NH2+]C1 42784234 169078685 /nfs/dbraw/zinc/07/86/85/169078685.db2.gz WNRPLKJFUULNFM-SSDOTTSWSA-N 1 0 131.194 1.346 50 0 in-vitro ADAARO FCCOCC[C@@H]1CCC[NH2+]C1 42771559 169078716 /nfs/dbraw/zinc/07/87/16/169078716.db2.gz REXANKIUFDDMPC-VIFPVBQESA-N 1 0 175.247 1.362 50 0 ADAARO FCC[C@@H]1CCC[NH2+]C1 42784235 169078776 /nfs/dbraw/zinc/07/87/76/169078776.db2.gz WNRPLKJFUULNFM-ZETCQYMHSA-N 1 0 131.194 1.346 50 0 in-vitro ADAARO FCCOCC[C@H]1CCCC[NH2+]1 42771567 169078887 /nfs/dbraw/zinc/07/88/87/169078887.db2.gz WKHPCGXATVAVKR-SECBINFHSA-N 1 0 175.247 1.505 50 0 ADAARO FCCOCC[C@H]1CCC[NH2+]C1 42771556 169079091 /nfs/dbraw/zinc/07/90/91/169079091.db2.gz REXANKIUFDDMPC-SECBINFHSA-N 1 0 175.247 1.362 50 0 ADAARO FC[C@H]1CCCC[NH2+]1 47845077 169079325 /nfs/dbraw/zinc/07/93/25/169079325.db2.gz VMMNQROZBNSKSB-ZCFIWIBFSA-N 1 0 117.167 1.098 50 0 ADAARO FC[C@]1(C(F)(F)F)CC[NH2+]C1 261508283 169079830 /nfs/dbraw/zinc/07/98/30/169079830.db2.gz RALOLKZCMREMEE-RXMQYKEDSA-N 1 0 171.137 1.498 50 0 ADAARO F[C@]1(c2ccccc2)CC[NH2+]C1 107120543 169080246 /nfs/dbraw/zinc/08/02/46/169080246.db2.gz MQXFKVRPVZNLCL-SNVBAGLBSA-N 1 0 165.211 1.845 50 0 in-vitro ADAARO F[C@H]1CC[NH2+]CCC1(F)F 110915954 169080349 /nfs/dbraw/zinc/08/03/49/169080349.db2.gz GCOKDTWCUXXFFE-YFKPBYRVSA-N 1 0 153.147 1.343 50 0 ADAARO F[C@H]1C[C@@H]2CC[C@H](C1)[NH2+]2 103522609 169080425 /nfs/dbraw/zinc/08/04/25/169080425.db2.gz ZINCMMJRJYWZGL-POBXSPIYSA-N 1 0 129.178 1.239 50 0 in-vitro ADAARO F[C@H]1C[NH2+]CCCC1(F)F 110916047 169080872 /nfs/dbraw/zinc/08/08/72/169080872.db2.gz IPYUDJFAFOFBEH-YFKPBYRVSA-N 1 0 153.147 1.343 50 0 ADAARO Fc1cc(F)cc(O[C@@H]2CC[NH2+]C2)c1 54933122 169081219 /nfs/dbraw/zinc/08/12/19/169081219.db2.gz WODHJUHQHBRQHF-SECBINFHSA-N 1 0 199.200 1.706 50 0 ADAARO Fc1cc(F)cc(O[C@H]2CC[NH2+]C2)c1 54933123 169081229 /nfs/dbraw/zinc/08/12/29/169081229.db2.gz WODHJUHQHBRQHF-VIFPVBQESA-N 1 0 199.200 1.706 50 0 ADAARO Fc1cc(F)cc([C@H]2C[NH2+]CCN2)c1 38541283 169081235 /nfs/dbraw/zinc/08/12/35/169081235.db2.gz DCDPZMVOVFAINN-SNVBAGLBSA-N 1 0 198.216 1.199 50 0 ADAARO Fc1cc2c(cc1F)C[NH2+]CC2 36155050 169081494 /nfs/dbraw/zinc/08/14/94/169081494.db2.gz YJAKFAUAMXMLPT-UHFFFAOYSA-N 1 0 169.174 1.611 50 0 ADAARO Fc1cc(F)cc(COC2C[NH2+]C2)c1 42770122 169081522 /nfs/dbraw/zinc/08/15/22/169081522.db2.gz QUVYSHPQIQXGDB-UHFFFAOYSA-N 1 0 199.200 1.453 50 0 ADAARO Fc1cc(F)cc(C2C[NH2+]C2)c1 44135326 169081608 /nfs/dbraw/zinc/08/16/08/169081608.db2.gz FNIOEHWSYCXSMF-UHFFFAOYSA-N 1 0 169.174 1.652 50 0 in-vitro ADAARO Fc1cc(F)cc(OC2C[NH2+]C2)c1 54933128 169082168 /nfs/dbraw/zinc/08/21/68/169082168.db2.gz VXXACJCOSVCADM-UHFFFAOYSA-N 1 0 185.173 1.315 50 0 ADAARO Fc1cc(F)cc([C@@H]2C[NH2+]CCN2)c1 96305482 169082229 /nfs/dbraw/zinc/08/22/29/169082229.db2.gz DCDPZMVOVFAINN-JTQLQIEISA-N 1 0 198.216 1.199 50 0 ADAARO Fc1ccc(O[C@H]2CC[NH2+]C2)c(F)c1 14632280 169082404 /nfs/dbraw/zinc/08/24/04/169082404.db2.gz MDBXTHZASNMNFX-QMMMGPOBSA-N 1 0 199.200 1.706 50 0 ADAARO Fc1ccc(O[C@H]2CCC[NH2+]C2)cc1 2529114 169082519 /nfs/dbraw/zinc/08/25/19/169082519.db2.gz SFOSPFWMUDDDII-NSHDSACASA-N 1 0 195.237 1.957 50 0 in-vitro ADAARO Fc1ccc(N2CCC[NH2+]CC2)nc1 36244072 169082579 /nfs/dbraw/zinc/08/25/79/169082579.db2.gz FUGBLZXIHIQYMV-UHFFFAOYSA-N 1 0 195.241 1.020 50 0 ADAARO Fc1ccc(F)c(O[C@@H]2CC[NH2+]C2)c1 14632297 169082674 /nfs/dbraw/zinc/08/26/74/169082674.db2.gz BTFKOELFYDTFLJ-MRVPVSSYSA-N 1 0 199.200 1.706 50 0 in-vitro ADAARO Fc1ccc(NC2CC[NH2+]CC2)cc1 4312772 169082716 /nfs/dbraw/zinc/08/27/16/169082716.db2.gz ZSYRYBOMHWXRDF-UHFFFAOYSA-N 1 0 194.253 1.990 50 0 in-vitro ADAARO Fc1ccc(O[C@H]2CC[NH2+]C2)cc1 14632218 169082727 /nfs/dbraw/zinc/08/27/27/169082727.db2.gz YKPHNAHLNXEANR-JTQLQIEISA-N 1 0 181.210 1.566 50 0 in-vitro ADAARO Fc1ccc(N[C@H]2CCC[NH2+]C2)cc1 43324243 169082851 /nfs/dbraw/zinc/08/28/51/169082851.db2.gz XIJMUMJDROVEPF-NSHDSACASA-N 1 0 194.253 1.990 50 0 ADAARO Fc1ccc(NC2C[NH2+]C2)cc1 83119824 169082895 /nfs/dbraw/zinc/08/28/95/169082895.db2.gz BJUIFRGOYCPWPT-UHFFFAOYSA-N 1 0 166.199 1.209 50 0 ADAARO Fc1ccc(F)c(CC2C[NH2+]C2)c1 37228228 169082905 /nfs/dbraw/zinc/08/29/05/169082905.db2.gz AMPPKRJXPGXFFG-UHFFFAOYSA-N 1 0 183.201 1.727 50 0 in-vitro ADAARO Fc1ccc(O[C@@H]2CC[NH2+]C2)c(F)c1 14632279 169082925 /nfs/dbraw/zinc/08/29/25/169082925.db2.gz MDBXTHZASNMNFX-MRVPVSSYSA-N 1 0 199.200 1.706 50 0 ADAARO Fc1ccc(N[C@@H]2CCC[NH2+]C2)cc1 43324241 169082984 /nfs/dbraw/zinc/08/29/84/169082984.db2.gz XIJMUMJDROVEPF-LLVKDONJSA-N 1 0 194.253 1.990 50 0 ADAARO Fc1ccc(OC2CC[NH2+]CC2)nc1 51865712 169083021 /nfs/dbraw/zinc/08/30/21/169083021.db2.gz PYGXWYMEVVETIA-UHFFFAOYSA-N 1 0 196.225 1.352 50 0 ADAARO Fc1ccc(CO[C@H]2CC[NH2+]C2)cc1 14632049 169083096 /nfs/dbraw/zinc/08/30/96/169083096.db2.gz NFRQMOAZTXAWGI-NSHDSACASA-N 1 0 195.237 1.704 50 0 ADAARO Fc1ccc(C[C@@H]2CC[NH2+]C2)cc1 2513098 169083135 /nfs/dbraw/zinc/08/31/35/169083135.db2.gz DOAKNLUWVTUZKA-JTQLQIEISA-N 1 0 179.238 1.978 50 0 in-vitro ADAARO Fc1ccc(F)c(O[C@H]2CC[NH2+]C2)c1 14632298 169083150 /nfs/dbraw/zinc/08/31/50/169083150.db2.gz BTFKOELFYDTFLJ-QMMMGPOBSA-N 1 0 199.200 1.706 50 0 in-vitro ADAARO Fc1ccc(C[C@H]2CC[NH2+]C2)cc1 20417711 169083197 /nfs/dbraw/zinc/08/31/97/169083197.db2.gz DOAKNLUWVTUZKA-SNVBAGLBSA-N 1 0 179.238 1.978 50 0 in-vitro ADAARO Fc1ccc(OC2C[NH2+]C2)c(F)c1 38580866 169083200 /nfs/dbraw/zinc/08/32/00/169083200.db2.gz UTNJOKZHZHVICP-UHFFFAOYSA-N 1 0 185.173 1.315 50 0 in-vitro ADAARO Fc1ccc(N[C@H]2CC[NH2+]C2)cc1 4312770 169083243 /nfs/dbraw/zinc/08/32/43/169083243.db2.gz OGNLBWVIULUBBM-JTQLQIEISA-N 1 0 180.226 1.600 50 0 ADAARO Fc1ccc(NC2CC[NH2+]CC2)nc1 41045490 169083290 /nfs/dbraw/zinc/08/32/90/169083290.db2.gz FFDUOAHUIGOVHU-UHFFFAOYSA-N 1 0 195.241 1.385 50 0 ADAARO Fc1ccc(OC[C@@H]2CC[NH2+]C2)cc1 14632421 169083310 /nfs/dbraw/zinc/08/33/10/169083310.db2.gz NFAZYNNKBZWFLV-SECBINFHSA-N 1 0 195.237 1.814 50 0 ADAARO Fc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 14631719 169083333 /nfs/dbraw/zinc/08/33/33/169083333.db2.gz SFOSPFWMUDDDII-LLVKDONJSA-N 1 0 195.237 1.957 50 0 in-vitro ADAARO Fc1ccc(F)c([C@@H]2C[NH2+]CCN2)c1 71507683 169083341 /nfs/dbraw/zinc/08/33/41/169083341.db2.gz QFQMVULSEXHYNU-JTQLQIEISA-N 1 0 198.216 1.199 50 0 ADAARO Fc1ccc(N[C@@H]2CC[NH2+]C2)cc1 4312769 169083347 /nfs/dbraw/zinc/08/33/47/169083347.db2.gz OGNLBWVIULUBBM-SNVBAGLBSA-N 1 0 180.226 1.600 50 0 ADAARO Fc1ccc(O[C@@H]2CC[NH2+]C2)cc1F 14632281 169083357 /nfs/dbraw/zinc/08/33/57/169083357.db2.gz UNGWMKHICJKPAM-MRVPVSSYSA-N 1 0 199.200 1.706 50 0 ADAARO Fc1ccc(O[C@H]2CCC[NH2+]C2)nc1 51873092 169083371 /nfs/dbraw/zinc/08/33/71/169083371.db2.gz VTOBBRBFRPXODV-VIFPVBQESA-N 1 0 196.225 1.352 50 0 ADAARO Fc1ccc(OC2C[NH2+]C2)cc1F 38580696 169083378 /nfs/dbraw/zinc/08/33/78/169083378.db2.gz APPWDWVMENBZFH-UHFFFAOYSA-N 1 0 185.173 1.315 50 0 in-vitro ADAARO Fc1ccc(OC[C@H]2CCC[NH2+]2)cc1 12137820 169083382 /nfs/dbraw/zinc/08/33/82/169083382.db2.gz WYPNSDPKFUHTKS-SNVBAGLBSA-N 1 0 195.237 1.957 50 0 in-vitro ADAARO Fc1ccc(NC[C@H]2CCC[NH2+]2)cc1 6658202 169083399 /nfs/dbraw/zinc/08/33/99/169083399.db2.gz BJACSQPPYMNRLI-LLVKDONJSA-N 1 0 194.253 1.990 50 0 in-vitro ADAARO Fc1ccc(O[C@H]2CC[NH2+]C2)cc1F 14632282 169083427 /nfs/dbraw/zinc/08/34/27/169083427.db2.gz UNGWMKHICJKPAM-QMMMGPOBSA-N 1 0 199.200 1.706 50 0 ADAARO Fc1ccc(F)c([C@H]2C[NH2+]CCN2)c1 71507684 169083434 /nfs/dbraw/zinc/08/34/34/169083434.db2.gz QFQMVULSEXHYNU-SNVBAGLBSA-N 1 0 198.216 1.199 50 0 ADAARO Fc1ccc(COC2C[NH2+]C2)cc1 42769799 169083464 /nfs/dbraw/zinc/08/34/64/169083464.db2.gz CXKUYRJNAIFRAY-UHFFFAOYSA-N 1 0 181.210 1.314 50 0 in-vitro ADAARO Fc1ccc(N2CCC[NH2+]CC2)cc1 12955393 169083488 /nfs/dbraw/zinc/08/34/88/169083488.db2.gz ZJBBRYVFIKSKOQ-UHFFFAOYSA-N 1 0 194.253 1.625 50 0 ADAARO Fc1ccc(F)c2c1CC[NH2+]C2 23508915 169083498 /nfs/dbraw/zinc/08/34/98/169083498.db2.gz CGEPWFZXDISRSY-UHFFFAOYSA-N 1 0 169.174 1.611 50 0 in-vitro ADAARO Fc1ccc(OC2CC[NH2+]CC2)cc1 2513139 169083507 /nfs/dbraw/zinc/08/35/07/169083507.db2.gz QUPXFCLFBNUVGX-UHFFFAOYSA-N 1 0 195.237 1.957 50 0 in-vitro ADAARO Fc1ccc(OC[C@H]2CC[NH2+]C2)cc1 14632422 169083515 /nfs/dbraw/zinc/08/35/15/169083515.db2.gz NFAZYNNKBZWFLV-VIFPVBQESA-N 1 0 195.237 1.814 50 0 ADAARO Fc1ccc(OC2C[NH2+]C2)cc1 2548666 169083518 /nfs/dbraw/zinc/08/35/18/169083518.db2.gz ZDIPYYPSOHMOMO-UHFFFAOYSA-N 1 0 167.183 1.176 50 0 in-vitro ADAARO Fc1ccc(O[C@@H]2CC[NH2+]C2)cc1 14632216 169083597 /nfs/dbraw/zinc/08/35/97/169083597.db2.gz YKPHNAHLNXEANR-SNVBAGLBSA-N 1 0 181.210 1.566 50 0 in-vitro ADAARO Fc1ccc(O[C@@H]2CCC[NH2+]C2)nc1 51873090 169083599 /nfs/dbraw/zinc/08/35/99/169083599.db2.gz VTOBBRBFRPXODV-SECBINFHSA-N 1 0 196.225 1.352 50 0 ADAARO Fc1ccc(NC[C@@H]2CCC[NH2+]2)cc1 6658201 169083639 /nfs/dbraw/zinc/08/36/39/169083639.db2.gz BJACSQPPYMNRLI-NSHDSACASA-N 1 0 194.253 1.990 50 0 in-vitro ADAARO Fc1ccc(N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 12955032 169083645 /nfs/dbraw/zinc/08/36/45/169083645.db2.gz AEKYJLHOYOVSKJ-ONGXEEELSA-N 1 0 192.237 1.376 50 0 ADAARO Fc1ccc(OC[C@@H]2CCC[NH2+]2)cc1 12137819 169083649 /nfs/dbraw/zinc/08/36/49/169083649.db2.gz WYPNSDPKFUHTKS-JTQLQIEISA-N 1 0 195.237 1.957 50 0 in-vitro ADAARO Fc1ccc(COC2C[NH2+]C2)c(F)c1 42770110 169083740 /nfs/dbraw/zinc/08/37/40/169083740.db2.gz HQCJJTCMQROBSH-UHFFFAOYSA-N 1 0 199.200 1.453 50 0 ADAARO Fc1ccc(CO[C@@H]2CC[NH2+]C2)cc1 14632047 169083798 /nfs/dbraw/zinc/08/37/98/169083798.db2.gz NFRQMOAZTXAWGI-LLVKDONJSA-N 1 0 195.237 1.704 50 0 ADAARO Fc1ccc([C@@H]2C[NH2+]CCN2)cc1F 38541286 169083947 /nfs/dbraw/zinc/08/39/47/169083947.db2.gz FFUWDWPFULAFLD-JTQLQIEISA-N 1 0 198.216 1.199 50 0 ADAARO Fc1ccc2c(c1F)CC[NH2+]C2 82522949 169083960 /nfs/dbraw/zinc/08/39/60/169083960.db2.gz LSKHHGQHKLKTRX-UHFFFAOYSA-N 1 0 169.174 1.611 50 0 ADAARO Fc1ccc2c(c1)C[NH2+]CCO2 49453804 169084006 /nfs/dbraw/zinc/08/40/06/169084006.db2.gz MBGJLGVSYZIMCV-UHFFFAOYSA-N 1 0 167.183 1.308 50 0 in-vitro ADAARO Fc1ccc2c(c1)C[NH2+]CC21CC1 91368589 169084034 /nfs/dbraw/zinc/08/40/34/169084034.db2.gz UJGQFOUHYJKAJX-UHFFFAOYSA-N 1 0 177.222 1.961 50 0 ADAARO Fc1ccc([C@@H]2CC[NH2+]C2)cc1 4384536 169084112 /nfs/dbraw/zinc/08/41/12/169084112.db2.gz IWOQWISAVOSATC-SECBINFHSA-N 1 0 165.211 1.903 50 0 in-vitro ADAARO Fc1ccc([C@@H]2C[NH2+]CCO2)cc1F 37405088 169084120 /nfs/dbraw/zinc/08/41/20/169084120.db2.gz VPRWAYIZWAKYTD-JTQLQIEISA-N 1 0 199.200 1.626 50 0 in-vitro ADAARO Fc1ccc(SC2C[NH2+]C2)cc1 54931754 169084128 /nfs/dbraw/zinc/08/41/28/169084128.db2.gz NVSBFKNLECPOKD-UHFFFAOYSA-N 1 0 183.251 1.890 50 0 ADAARO Fc1ccc2c(c1)C[NH2+]CCC2 57935564 169084158 /nfs/dbraw/zinc/08/41/58/169084158.db2.gz FRQNUCOUUUBYIQ-UHFFFAOYSA-N 1 0 165.211 1.862 50 0 ADAARO Fc1ccc([C@@H]2C[NH2+]CCO2)c(F)c1 37405086 169084165 /nfs/dbraw/zinc/08/41/65/169084165.db2.gz ZFZKCZYADBGBHY-JTQLQIEISA-N 1 0 199.200 1.626 50 0 in-vitro ADAARO Fc1ccc2[nH]c3c(c2c1)CC[NH2+]C3 22863653 169084191 /nfs/dbraw/zinc/08/41/91/169084191.db2.gz ZRBOYHOKTLJAAM-UHFFFAOYSA-N 1 0 190.221 1.953 50 0 in-vitro ADAARO Fc1ccc([C@@H]2CCC[NH2+]C2)cn1 38539354 169084345 /nfs/dbraw/zinc/08/43/45/169084345.db2.gz NLURSPNFINZQRK-MRVPVSSYSA-N 1 0 180.226 1.688 50 0 ADAARO Fc1ccc2c(c1)C[NH2+]CCN2 12649849 169084451 /nfs/dbraw/zinc/08/44/51/169084451.db2.gz NNXGSKKLUSOLHT-UHFFFAOYSA-N 1 0 166.199 1.341 50 0 in-vitro ADAARO Fc1ccc([C@H]2CC[NH2+]C2)cc1 4384537 169084579 /nfs/dbraw/zinc/08/45/79/169084579.db2.gz IWOQWISAVOSATC-VIFPVBQESA-N 1 0 165.211 1.903 50 0 in-vitro ADAARO Fc1ccc([C@@]2(F)CC[NH2+]C2)cc1 107129192 169084592 /nfs/dbraw/zinc/08/45/92/169084592.db2.gz XHCDLDRGPAGECC-SNVBAGLBSA-N 1 0 183.201 1.984 50 0 in-vitro ADAARO Fc1ccc2c3c([nH]c2c1)C[NH2+]CC3 19735912 169084738 /nfs/dbraw/zinc/08/47/38/169084738.db2.gz OTGGOPSBNVEBDA-UHFFFAOYSA-N 1 0 190.221 1.953 50 0 in-vitro ADAARO Fc1ccc2c(c1F)C[NH2+]CC2 70622182 169084740 /nfs/dbraw/zinc/08/47/40/169084740.db2.gz QSYDIASDHZASJN-UHFFFAOYSA-N 1 0 169.174 1.611 50 0 in-vitro ADAARO Fc1ccc2[nH]c3c(c2c1)C[NH2+]CC3 19798361 169084779 /nfs/dbraw/zinc/08/47/79/169084779.db2.gz MNWNSXZHWSTXTC-UHFFFAOYSA-N 1 0 190.221 1.953 50 0 in-vitro ADAARO Fc1ccc([C@@H]2C[NH2+]CCO2)cc1 2513060 169084783 /nfs/dbraw/zinc/08/47/83/169084783.db2.gz MPFUBIGEMDOEIW-JTQLQIEISA-N 1 0 181.210 1.487 50 0 in-vitro ADAARO Fc1ccc([C@@H]2CC[NH2+]2)cc1 19090951 169084790 /nfs/dbraw/zinc/08/47/90/169084790.db2.gz LWSFAJGOENYINQ-VIFPVBQESA-N 1 0 151.184 1.860 50 0 in-vitro ADAARO Fc1ccc([C@@H]2C[NH2+]CCN2)c(F)c1 71507685 169084796 /nfs/dbraw/zinc/08/47/96/169084796.db2.gz ARFSPDSLFPKSOM-JTQLQIEISA-N 1 0 198.216 1.199 50 0 ADAARO Fc1ccc2c(c1)CC[NH2+]C2 34726816 169084815 /nfs/dbraw/zinc/08/48/15/169084815.db2.gz IGFFEMNFESMQQW-UHFFFAOYSA-N 1 0 151.184 1.471 50 0 in-vitro ADAARO Fc1ccc([C@H]2CC[NH2+]2)cc1 19090954 169084858 /nfs/dbraw/zinc/08/48/58/169084858.db2.gz LWSFAJGOENYINQ-SECBINFHSA-N 1 0 151.184 1.860 50 0 in-vitro ADAARO Fc1ccc2c(c1)C[NH2+]C2 2559488 169084867 /nfs/dbraw/zinc/08/48/67/169084867.db2.gz UYIALDLZAMTNLK-UHFFFAOYSA-N 1 0 137.157 1.429 50 0 in-vitro ADAARO Fc1ccc2c(c1)C1(CC1)C[NH2+]C2 91368502 169084939 /nfs/dbraw/zinc/08/49/39/169084939.db2.gz MPTFYFLUXVSUHV-UHFFFAOYSA-N 1 0 177.222 1.961 50 0 ADAARO Fc1ccc2c(c1)CCC[NH2+]C2 84307404 169084980 /nfs/dbraw/zinc/08/49/80/169084980.db2.gz JPEMXQVCVCINAJ-UHFFFAOYSA-N 1 0 165.211 1.862 50 0 ADAARO Fc1ccc([C@H]2COCCN2)cc1 11803313 169085008 /nfs/dbraw/zinc/08/50/08/169085008.db2.gz VURZDWDKDQRYTJ-SNVBAGLBSA-N 1 0 181.210 1.487 50 0 in-vitro ADAARO Fc1ccc([C@@H]2C[NH2+]CCN2)cc1 32499136 169085035 /nfs/dbraw/zinc/08/50/35/169085035.db2.gz NZAKSEMIIIZYEM-JTQLQIEISA-N 1 0 180.226 1.060 50 0 ADAARO Fc1ccc2c(c1)NCC[NH2+]C2 12649846 169085118 /nfs/dbraw/zinc/08/51/18/169085118.db2.gz CDJVOUWLXJCIHK-UHFFFAOYSA-N 1 0 166.199 1.341 50 0 in-vitro ADAARO Fc1ccc([C@]2(F)CC[NH2+]C2)cc1 107129189 169085174 /nfs/dbraw/zinc/08/51/74/169085174.db2.gz XHCDLDRGPAGECC-JTQLQIEISA-N 1 0 183.201 1.984 50 0 in-vitro ADAARO Fc1ccc2c(c1)C[NH2+]CC2 16082964 169085184 /nfs/dbraw/zinc/08/51/84/169085184.db2.gz LNORDFUGQNAJMQ-UHFFFAOYSA-N 1 0 151.184 1.471 50 0 in-vitro ADAARO Fc1cccc(N2C[C@@H]3C[C@H]2C[NH2+]3)c1 58487279 169085439 /nfs/dbraw/zinc/08/54/39/169085439.db2.gz NLGZBEQXRSLWNZ-ONGXEEELSA-N 1 0 192.237 1.376 50 0 ADAARO Fc1cccc(C2C[NH2+]C2)c1 44135304 169085466 /nfs/dbraw/zinc/08/54/66/169085466.db2.gz ZXSOUXUQIJCRTE-UHFFFAOYSA-N 1 0 151.184 1.513 50 0 in-vitro ADAARO Fc1cccc(NC2CC[NH2+]CC2)c1 4312837 169085469 /nfs/dbraw/zinc/08/54/69/169085469.db2.gz OLIDKJBMRLAXQA-UHFFFAOYSA-N 1 0 194.253 1.990 50 0 in-vitro ADAARO Fc1cccc(CO[C@H]2CC[NH2+]C2)c1 14632039 169085510 /nfs/dbraw/zinc/08/55/10/169085510.db2.gz QGENWACSNBVQQZ-NSHDSACASA-N 1 0 195.237 1.704 50 0 ADAARO Fc1cccc(C[C@@H]2CC[NH2+]C2)c1 40442971 169085526 /nfs/dbraw/zinc/08/55/26/169085526.db2.gz NCVRSFIRKVTHDU-JTQLQIEISA-N 1 0 179.238 1.978 50 0 in-vitro ADAARO Fc1cccc(OC[C@@H]2CC[NH2+]C2)c1 14632415 169085608 /nfs/dbraw/zinc/08/56/08/169085608.db2.gz YPNDXAXFHBOAQA-SECBINFHSA-N 1 0 195.237 1.814 50 0 ADAARO Fc1cccc(C[C@H]2CC[NH2+]C2)c1 40442972 169085649 /nfs/dbraw/zinc/08/56/49/169085649.db2.gz NCVRSFIRKVTHDU-SNVBAGLBSA-N 1 0 179.238 1.978 50 0 in-vitro ADAARO Fc1cccc(N2CCC[NH2+]CC2)c1 35298389 169085676 /nfs/dbraw/zinc/08/56/76/169085676.db2.gz OTMMYTCTGDIULP-UHFFFAOYSA-N 1 0 194.253 1.625 50 0 ADAARO Fc1cccc(OCC2=[NH+]CCN2)c1 20399575 169085739 /nfs/dbraw/zinc/08/57/39/169085739.db2.gz VZGXWQSCYVVUBR-UHFFFAOYSA-N 1 0 194.209 1.206 50 0 ADAARO Fc1cccc(O[C@H]2CC[NH2+]C2)c1 14632165 169085752 /nfs/dbraw/zinc/08/57/52/169085752.db2.gz AKHGRTYTFZRUHJ-JTQLQIEISA-N 1 0 181.210 1.566 50 0 in-vitro ADAARO Fc1cccc(CC2C[NH2+]C2)c1 22157960 169085869 /nfs/dbraw/zinc/08/58/69/169085869.db2.gz DOPZMVIXSPCXJO-UHFFFAOYSA-N 1 0 165.211 1.588 50 0 in-vitro ADAARO Fc1cccc(N[C@@H]2CCC[NH2+]C2)c1 43324210 169085876 /nfs/dbraw/zinc/08/58/76/169085876.db2.gz JQKIQZWCNBXONS-LLVKDONJSA-N 1 0 194.253 1.990 50 0 ADAARO Fc1cccc(O[C@@H]2CC[NH2+]C2)c1 14632164 169085977 /nfs/dbraw/zinc/08/59/77/169085977.db2.gz AKHGRTYTFZRUHJ-SNVBAGLBSA-N 1 0 181.210 1.566 50 0 in-vitro ADAARO Fc1cccc([C@@H]2CC[NH2+]2)c1 71790391 169085997 /nfs/dbraw/zinc/08/59/97/169085997.db2.gz PGQSCZAAKMIITI-VIFPVBQESA-N 1 0 151.184 1.860 50 0 in-vitro ADAARO Fc1cccc(OC[C@H]2CC[NH2+]C2)c1 14632416 169086006 /nfs/dbraw/zinc/08/60/06/169086006.db2.gz YPNDXAXFHBOAQA-VIFPVBQESA-N 1 0 195.237 1.814 50 0 ADAARO Fc1cccc(OC[C@@H]2CCC[NH2+]2)c1 20443150 169086109 /nfs/dbraw/zinc/08/61/09/169086109.db2.gz CZMLRTHMBKPCPS-JTQLQIEISA-N 1 0 195.237 1.957 50 0 ADAARO Fc1cccc(COC2C[NH2+]C2)c1 34928821 169086128 /nfs/dbraw/zinc/08/61/28/169086128.db2.gz TUWBGMULNBNBPE-UHFFFAOYSA-N 1 0 181.210 1.314 50 0 ADAARO Fc1cccc(CO[C@@H]2CC[NH2+]C2)c1 14632037 169086187 /nfs/dbraw/zinc/08/61/87/169086187.db2.gz QGENWACSNBVQQZ-LLVKDONJSA-N 1 0 195.237 1.704 50 0 ADAARO Fc1cccc([C@@H]2CC[NH2+]C2)c1 2243528 169086260 /nfs/dbraw/zinc/08/62/60/169086260.db2.gz RQGYSXVZGVZRPG-SECBINFHSA-N 1 0 165.211 1.903 50 0 in-vitro ADAARO Fc1cccc(CN2CC[NH2+]CC2)c1 19293872 169086274 /nfs/dbraw/zinc/08/62/74/169086274.db2.gz ITHBJSRWFNLKIH-UHFFFAOYSA-N 1 0 194.253 1.231 50 0 in-vitro ADAARO Fc1cccc(OC2CC[NH2+]CC2)c1 13483566 169086551 /nfs/dbraw/zinc/08/65/51/169086551.db2.gz ADUCMSHWWWCKEK-UHFFFAOYSA-N 1 0 195.237 1.957 50 0 in-vitro ADAARO Fc1cccc(N[C@H]2CCC[NH2+]C2)c1 43324212 169086630 /nfs/dbraw/zinc/08/66/30/169086630.db2.gz JQKIQZWCNBXONS-NSHDSACASA-N 1 0 194.253 1.990 50 0 ADAARO Fc1cccc(OC[C@H]2CCC[NH2+]2)c1 20443155 169086671 /nfs/dbraw/zinc/08/66/71/169086671.db2.gz CZMLRTHMBKPCPS-SNVBAGLBSA-N 1 0 195.237 1.957 50 0 ADAARO Fc1cccc(O[C@@H]2CCC[NH2+]C2)c1 14631676 169086672 /nfs/dbraw/zinc/08/66/72/169086672.db2.gz MYUQPFFFBODNTO-LLVKDONJSA-N 1 0 195.237 1.957 50 0 in-vitro ADAARO Fc1cccc(O[C@H]2CCC[NH2+]C2)c1 14631678 169086685 /nfs/dbraw/zinc/08/66/85/169086685.db2.gz MYUQPFFFBODNTO-NSHDSACASA-N 1 0 195.237 1.957 50 0 in-vitro ADAARO Fc1cccc(C2C[NH2+]C2)c1F 84931314 169086686 /nfs/dbraw/zinc/08/66/86/169086686.db2.gz DJRKNNCYYQNPRB-UHFFFAOYSA-N 1 0 169.174 1.652 50 0 in-vitro ADAARO Fc1cccc(F)c1OC1C[NH2+]C1 95917850 169086692 /nfs/dbraw/zinc/08/66/92/169086692.db2.gz NNFXZJSCCQBCFR-UHFFFAOYSA-N 1 0 185.173 1.315 50 0 ADAARO Fc1cccc(F)c1COC1C[NH2+]C1 42770114 169086761 /nfs/dbraw/zinc/08/67/61/169086761.db2.gz LEWSEAMTYWDDBU-UHFFFAOYSA-N 1 0 199.200 1.453 50 0 ADAARO Fc1cccc(F)c1CC1C[NH2+]C1 22158996 169086799 /nfs/dbraw/zinc/08/67/99/169086799.db2.gz MSJRWRPIDVGOMR-UHFFFAOYSA-N 1 0 183.201 1.727 50 0 in-vitro ADAARO Fc1ccccc1[C@@H]1CC[NH2+]1 72228435 169087115 /nfs/dbraw/zinc/08/71/15/169087115.db2.gz YZPUUVPTLJZGDR-VIFPVBQESA-N 1 0 151.184 1.860 50 0 in-vitro ADAARO Fc1ccccc1NC1CC[NH2+]CC1 4312842 169087147 /nfs/dbraw/zinc/08/71/47/169087147.db2.gz QPTMDHYTCLTFRI-UHFFFAOYSA-N 1 0 194.253 1.990 50 0 in-vitro ADAARO Fc1cccc([C@H]2C[NH2+]CCN2)c1 38532206 169087157 /nfs/dbraw/zinc/08/71/57/169087157.db2.gz AWAUULFUTVPSTI-SNVBAGLBSA-N 1 0 180.226 1.060 50 0 in-vitro ADAARO Fc1ccccc1O[C@@H]1CCC[NH2+]C1 14631620 169087269 /nfs/dbraw/zinc/08/72/69/169087269.db2.gz XBISLZMZQAIHMK-SECBINFHSA-N 1 0 195.237 1.957 50 0 ADAARO Fc1cccc2c1OCC[NH2+]C2 49453801 169087285 /nfs/dbraw/zinc/08/72/85/169087285.db2.gz YLZOLFBJUDFHNH-UHFFFAOYSA-N 1 0 167.183 1.308 50 0 in-vitro ADAARO Fc1cccc([C@H]2C[NH2+]CCO2)c1 37405061 169087326 /nfs/dbraw/zinc/08/73/26/169087326.db2.gz OLENKPLLMGPQSX-SNVBAGLBSA-N 1 0 181.210 1.487 50 0 in-vitro ADAARO Fc1ccccc1O[C@H]1CC[NH2+]C1 14632089 169087367 /nfs/dbraw/zinc/08/73/67/169087367.db2.gz VBCSXAGXHQORMV-QMMMGPOBSA-N 1 0 181.210 1.566 50 0 ADAARO Fc1ccccc1N1CCC[NH2+]CC1 49660576 169087431 /nfs/dbraw/zinc/08/74/31/169087431.db2.gz IOEZSUJBXWVZJX-UHFFFAOYSA-N 1 0 194.253 1.625 50 0 in-vitro ADAARO Fc1ccccc1OC1CC[NH2+]CC1 12137808 169087436 /nfs/dbraw/zinc/08/74/36/169087436.db2.gz MGLFLCJKTMPKSG-UHFFFAOYSA-N 1 0 195.237 1.957 50 0 ADAARO Fc1cccc([C@H]2CC[NH2+]2)c1 71790392 169087438 /nfs/dbraw/zinc/08/74/38/169087438.db2.gz PGQSCZAAKMIITI-SECBINFHSA-N 1 0 151.184 1.860 50 0 in-vitro ADAARO Fc1ccccc1O[C@H]1CCC[NH2+]C1 14631622 169087453 /nfs/dbraw/zinc/08/74/53/169087453.db2.gz XBISLZMZQAIHMK-VIFPVBQESA-N 1 0 195.237 1.957 50 0 ADAARO Fc1ccccc1OCC[NH2+]C1CC1 20361136 169087460 /nfs/dbraw/zinc/08/74/60/169087460.db2.gz XOAYEXNQDBGFJT-UHFFFAOYSA-N 1 0 195.237 1.957 50 0 ADAARO Fc1cccc2c1CC[NH2+]C2 16082959 169087540 /nfs/dbraw/zinc/08/75/40/169087540.db2.gz HPLVZHZIUJGIDQ-UHFFFAOYSA-N 1 0 151.184 1.471 50 0 in-vitro ADAARO Fc1ccccc1OC[C@@H]1CC[NH2+]C1 38580763 169087559 /nfs/dbraw/zinc/08/75/59/169087559.db2.gz JDCSVDIMEVLNSD-SECBINFHSA-N 1 0 195.237 1.814 50 0 ADAARO Fc1ccccc1C1C[NH2+]C1 44135306 169087616 /nfs/dbraw/zinc/08/76/16/169087616.db2.gz PNHPWHXIVXLRDE-UHFFFAOYSA-N 1 0 151.184 1.513 50 0 ADAARO Fc1ccccc1CO[C@H]1CC[NH2+]C1 36142136 169087655 /nfs/dbraw/zinc/08/76/55/169087655.db2.gz JZSIQXJACPTWNP-JTQLQIEISA-N 1 0 195.237 1.704 50 0 in-vitro ADAARO Fc1ccccc1C1=CC[NH2+]C1 88613770 169087677 /nfs/dbraw/zinc/08/76/77/169087677.db2.gz ZSXOIJXGLXDKGR-UHFFFAOYSA-N 1 0 163.195 1.812 50 0 in-vitro ADAARO Fc1ccccc1OC[C@H]1CC[NH2+]C1 38580764 169087687 /nfs/dbraw/zinc/08/76/87/169087687.db2.gz JDCSVDIMEVLNSD-VIFPVBQESA-N 1 0 195.237 1.814 50 0 ADAARO Fc1ccccc1[C@@H]1CC[NH2+]C1 2243529 169087696 /nfs/dbraw/zinc/08/76/96/169087696.db2.gz LFPKQKJXQFPLOD-MRVPVSSYSA-N 1 0 165.211 1.903 50 0 in-vitro ADAARO Fc1cccc([C@H]2CC[NH2+]C2)c1 23508852 169087710 /nfs/dbraw/zinc/08/77/10/169087710.db2.gz RQGYSXVZGVZRPG-VIFPVBQESA-N 1 0 165.211 1.903 50 0 in-vitro ADAARO Fc1ccccc1O[C@@H]1CC[NH2+]C1 14632087 169087756 /nfs/dbraw/zinc/08/77/56/169087756.db2.gz VBCSXAGXHQORMV-MRVPVSSYSA-N 1 0 181.210 1.566 50 0 ADAARO Fc1cccc2c1C[NH2+]CCO2 107121131 169087784 /nfs/dbraw/zinc/08/77/84/169087784.db2.gz KCQUZQKHNJYTTE-UHFFFAOYSA-N 1 0 167.183 1.308 50 0 in-vitro ADAARO Fc1ccccc1OC[C@@H]1CCC[NH2+]1 20440626 169087789 /nfs/dbraw/zinc/08/77/89/169087789.db2.gz DNHOOSNNEFPGQX-VIFPVBQESA-N 1 0 195.237 1.957 50 0 ADAARO Fc1ccccc1OC1C[NH2+]C1 38580762 169087806 /nfs/dbraw/zinc/08/78/06/169087806.db2.gz BJPFEMLBDNVRDZ-UHFFFAOYSA-N 1 0 167.183 1.176 50 0 in-vitro ADAARO Fc1cccc2c1C[NH2+]CC21CC1 91368638 169087861 /nfs/dbraw/zinc/08/78/61/169087861.db2.gz IBFZMWGTEUFNIF-UHFFFAOYSA-N 1 0 177.222 1.961 50 0 ADAARO Fc1ccccc1OC[C@H]1CCC[NH2+]1 20440630 169087881 /nfs/dbraw/zinc/08/78/81/169087881.db2.gz DNHOOSNNEFPGQX-SECBINFHSA-N 1 0 195.237 1.957 50 0 ADAARO Fc1cccc2c1C[NH2+]C2 20446513 169088055 /nfs/dbraw/zinc/08/80/55/169088055.db2.gz UDBMWFNXDSVYBR-UHFFFAOYSA-N 1 0 137.157 1.429 50 0 in-vitro ADAARO Fc1cccc2c1C[NH2+]CC2 24624359 169088112 /nfs/dbraw/zinc/08/81/12/169088112.db2.gz BQEDHMMZSRJZSN-UHFFFAOYSA-N 1 0 151.184 1.471 50 0 in-vitro ADAARO Fc1cccc2c1C1(CC1)C[NH2+]C2 91366430 169088188 /nfs/dbraw/zinc/08/81/88/169088188.db2.gz YQJZOEUAYVQYFM-UHFFFAOYSA-N 1 0 177.222 1.961 50 0 ADAARO Fc1ccccc1CO[C@@H]1CC[NH2+]C1 36142135 169088197 /nfs/dbraw/zinc/08/81/97/169088197.db2.gz JZSIQXJACPTWNP-SNVBAGLBSA-N 1 0 195.237 1.704 50 0 in-vitro ADAARO Fc1ccccc1CC1C[NH2+]C1 19262724 169088357 /nfs/dbraw/zinc/08/83/57/169088357.db2.gz IBXYIHGRRZWWSP-UHFFFAOYSA-N 1 0 165.211 1.588 50 0 in-vitro ADAARO Fc1cccc2c3c([nH]c12)CC[NH2+]C3 16159092 169088389 /nfs/dbraw/zinc/08/83/89/169088389.db2.gz WFOAZAKVBMIMKT-UHFFFAOYSA-N 1 0 190.221 1.953 50 0 in-vitro ADAARO Fc1ccccc1CN1CC[NH2+]CC1 19349189 169088391 /nfs/dbraw/zinc/08/83/91/169088391.db2.gz IGVNZJBYRPULAI-UHFFFAOYSA-N 1 0 194.253 1.231 50 0 in-vitro ADAARO Fc1ccccc1COC1C[NH2+]C1 34927274 169088436 /nfs/dbraw/zinc/08/84/36/169088436.db2.gz UCIKVUFCBYNXKW-UHFFFAOYSA-N 1 0 181.210 1.314 50 0 in-vitro ADAARO Fc1ccccc1[C@H]1CC[NH2+]C1 14808246 169088871 /nfs/dbraw/zinc/08/88/71/169088871.db2.gz LFPKQKJXQFPLOD-QMMMGPOBSA-N 1 0 165.211 1.903 50 0 in-vitro ADAARO Fc1cncc([C@@H]2CC[NH2+]C2)c1 118534980 169088954 /nfs/dbraw/zinc/08/89/54/169088954.db2.gz OBRJILASYCLBJT-SSDOTTSWSA-N 1 0 166.199 1.298 50 0 ADAARO Fc1ccccc1[C@@]1(F)CC[NH2+]C1 107272130 169089087 /nfs/dbraw/zinc/08/90/87/169089087.db2.gz NWMVGZDBLMHTPU-SNVBAGLBSA-N 1 0 183.201 1.984 50 0 in-vitro ADAARO Fc1cccnc1N1CCC[NH2+]CC1 54700331 169089093 /nfs/dbraw/zinc/08/90/93/169089093.db2.gz DSIYBRLDYNHRPK-UHFFFAOYSA-N 1 0 195.241 1.020 50 0 in-vitro ADAARO Fc1cnccc1NC1CC[NH2+]CC1 98213794 169089182 /nfs/dbraw/zinc/08/91/82/169089182.db2.gz PKNMYTVGWVOJST-UHFFFAOYSA-N 1 0 195.241 1.385 50 0 ADAARO Fc1cncc([C@H]2CC[NH2+]C2)c1 118534984 169089203 /nfs/dbraw/zinc/08/92/03/169089203.db2.gz OBRJILASYCLBJT-ZETCQYMHSA-N 1 0 166.199 1.298 50 0 ADAARO Fc1cncc(C2CC[NH2+]CC2)c1 55232331 169089210 /nfs/dbraw/zinc/08/92/10/169089210.db2.gz VETLEBBOAUJETM-UHFFFAOYSA-N 1 0 180.226 1.688 50 0 ADAARO Fc1ccccc1[C@H]1C[NH2+]CCN1 38541312 169089260 /nfs/dbraw/zinc/08/92/60/169089260.db2.gz JMLSZQAVDKFFCE-SNVBAGLBSA-N 1 0 180.226 1.060 50 0 ADAARO Fc1ccccc1[C@@H]1C[NH2+]CCO1 11803005 169089268 /nfs/dbraw/zinc/08/92/68/169089268.db2.gz PBQOCFSZEFFTKV-JTQLQIEISA-N 1 0 181.210 1.487 50 0 in-vitro ADAARO Fc1cccnc1OC1CC[NH2+]CC1 54701232 169089362 /nfs/dbraw/zinc/08/93/62/169089362.db2.gz PRSPAPDYZQFCBA-UHFFFAOYSA-N 1 0 196.225 1.352 50 0 in-vitro ADAARO Fc1ccccc1[C@@H]1C[NH2+]CCN1 38541310 169089487 /nfs/dbraw/zinc/08/94/87/169089487.db2.gz JMLSZQAVDKFFCE-JTQLQIEISA-N 1 0 180.226 1.060 50 0 ADAARO Fc1ccccc1[C@]1(F)CC[NH2+]C1 107272126 169089515 /nfs/dbraw/zinc/08/95/15/169089515.db2.gz NWMVGZDBLMHTPU-JTQLQIEISA-N 1 0 183.201 1.984 50 0 in-vitro ADAARO Fc1cccnc1O[C@@H]1CCC[NH2+]C1 54701249 169089669 /nfs/dbraw/zinc/08/96/69/169089669.db2.gz IGNXDUDLJXSXML-MRVPVSSYSA-N 1 0 196.225 1.352 50 0 in-vitro ADAARO Fc1cccnc1NC1CC[NH2+]CC1 54701004 169089749 /nfs/dbraw/zinc/08/97/49/169089749.db2.gz FKIRZHICZGSPNY-UHFFFAOYSA-N 1 0 195.241 1.385 50 0 ADAARO Fc1ccccc1[C@H]1C[NH2+]CCO1 11803007 169089791 /nfs/dbraw/zinc/08/97/91/169089791.db2.gz PBQOCFSZEFFTKV-SNVBAGLBSA-N 1 0 181.210 1.487 50 0 in-vitro ADAARO Fc1ccccc1[C@H]1CC[NH2+]1 72228436 169089803 /nfs/dbraw/zinc/08/98/03/169089803.db2.gz YZPUUVPTLJZGDR-SECBINFHSA-N 1 0 151.184 1.860 50 0 in-vitro ADAARO Fc1cncc(C2=CC[NH2+]CC2)c1 55232321 169089864 /nfs/dbraw/zinc/08/98/64/169089864.db2.gz MAWNCLHWENBRQY-UHFFFAOYSA-N 1 0 178.210 1.597 50 0 in-vitro ADAARO Fc1cccnc1O[C@H]1CCC[NH2+]C1 54701250 169089890 /nfs/dbraw/zinc/08/98/90/169089890.db2.gz IGNXDUDLJXSXML-QMMMGPOBSA-N 1 0 196.225 1.352 50 0 in-vitro ADAARO Cc1nc(-c2ccc(C[NH3+])cc2)no1 19092631 168930935 /nfs/dbraw/zinc/93/09/35/168930935.db2.gz LSTDWUOSWUXAJV-UHFFFAOYSA-N 1 0 189.218 1.504 50 0 ADAARO [NH3+]C[C@H]1CCN(c2ccccc2)C1 11891480 169216521 /nfs/dbraw/zinc/21/65/21/169216521.db2.gz YOYVLKMGXMXKMP-SNVBAGLBSA-N 1 0 176.263 1.472 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCC[C@@H](F)C1 95829066 169216523 /nfs/dbraw/zinc/21/65/23/169216523.db2.gz WUFAQPHIHBJLDD-NKWVEPMBSA-N 1 0 131.194 1.473 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCC[C@H](F)C1 95829069 169216542 /nfs/dbraw/zinc/21/65/42/169216542.db2.gz WUFAQPHIHBJLDD-BQBZGAKWSA-N 1 0 131.194 1.473 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCOC2(CCC2)C1 74342663 169216551 /nfs/dbraw/zinc/21/65/51/169216551.db2.gz QDOLICQFKUYSJC-QMMMGPOBSA-N 1 0 155.241 1.294 50 0 ADAARO [NH3+]C[C@H]1CCNc2ccccc21 66352198 169216611 /nfs/dbraw/zinc/21/66/11/169216611.db2.gz RXKPYLHJAFBRGA-MRVPVSSYSA-N 1 0 162.236 1.545 50 0 ADAARO [NH3+]C[C@H]1CCCSC1 82410984 169216700 /nfs/dbraw/zinc/21/67/00/169216700.db2.gz OOPUJNBROMPJLB-ZCFIWIBFSA-N 1 0 131.244 1.088 50 0 in-vitro ADAARO NC(=[NH2+])C1CCCC1 1433065 169135792 /nfs/dbraw/zinc/13/57/92/169135792.db2.gz RMALUJUDHRIMQN-UHFFFAOYSA-N 1 0 112.176 1.113 50 0 in-vitro ADAARO NC(=[NH2+])CCc1nc2ccccc2[nH]1 66324397 169135821 /nfs/dbraw/zinc/13/58/21/169135821.db2.gz NSXORPZLJBCISB-UHFFFAOYSA-N 1 0 188.234 1.431 50 0 ADAARO NC(=[NH2+])CCCc1ccccc1 19510471 169135844 /nfs/dbraw/zinc/13/58/44/169135844.db2.gz VBYOYCYKFWWHME-UHFFFAOYSA-N 1 0 162.236 1.945 50 0 ADAARO NC(=[NH2+])COc1ccc(Cl)cc1 120210 169135851 /nfs/dbraw/zinc/13/58/51/169135851.db2.gz LSGPRLNRMANBIG-UHFFFAOYSA-N 1 0 184.626 1.655 50 0 ADAARO NC(=[NH2+])CSCc1ccccc1 19848023 169135904 /nfs/dbraw/zinc/13/59/04/169135904.db2.gz DWTUMWQHYUTPFN-UHFFFAOYSA-N 1 0 180.276 1.856 50 0 in-vitro ADAARO NC(=[NH2+])COc1cccc(F)c1 16661488 169135981 /nfs/dbraw/zinc/13/59/81/169135981.db2.gz QIYAXFBHGMCITE-UHFFFAOYSA-N 1 0 168.171 1.140 50 0 in-vitro ADAARO NC(=[NH2+])C[C@H]1COc2ccccc21 84333163 169136012 /nfs/dbraw/zinc/13/60/12/169136012.db2.gz QFFIUFDGKWRMAG-ZETCQYMHSA-N 1 0 176.219 1.489 50 0 ADAARO NC(=[NH2+])CCCc1ccccn1 71788863 169136034 /nfs/dbraw/zinc/13/60/34/169136034.db2.gz RNEQVDCRRIDCBX-UHFFFAOYSA-N 1 0 163.224 1.340 50 0 ADAARO NC(=[NH2+])COc1ccccc1Cl 124318 169136046 /nfs/dbraw/zinc/13/60/46/169136046.db2.gz QQJLUVWKVHAVFS-UHFFFAOYSA-N 1 0 184.626 1.655 50 0 in-vitro ADAARO NC(=[NH2+])CCC(F)(F)F 59140393 169136139 /nfs/dbraw/zinc/13/61/39/169136139.db2.gz RAJWBVDJMLUOGN-UHFFFAOYSA-N 1 0 140.108 1.265 50 0 in-vitro ADAARO NC(=[NH2+])C1=Cc2ccccc2OC1 91695948 169136253 /nfs/dbraw/zinc/13/62/53/169136253.db2.gz MIZVASWOYKASBM-UHFFFAOYSA-N 1 0 174.203 1.398 50 0 ADAARO NC(=[NH2+])C1CCCCCC1 4203518 169136257 /nfs/dbraw/zinc/13/62/57/169136257.db2.gz RLWXVDIKUIVRIR-UHFFFAOYSA-N 1 0 140.230 1.893 50 0 in-vitro ADAARO NC(=[NH2+])C1CCCCC1 3650628 169136276 /nfs/dbraw/zinc/13/62/76/169136276.db2.gz PBCFZTOCSCULAL-UHFFFAOYSA-N 1 0 126.203 1.503 50 0 in-vitro ADAARO NC(=[NH2+])COc1ccccc1 124317 169136312 /nfs/dbraw/zinc/13/63/12/169136312.db2.gz GGJZNRRFDCKJCD-UHFFFAOYSA-N 1 0 150.181 1.001 50 0 in-vitro ADAARO NC(=[NH2+])C[C@@H]1COc2ccccc21 84333161 169136404 /nfs/dbraw/zinc/13/64/04/169136404.db2.gz QFFIUFDGKWRMAG-SSDOTTSWSA-N 1 0 176.219 1.489 50 0 ADAARO NC(=[NH2+])COc1ccc(F)cc1 169957 169136425 /nfs/dbraw/zinc/13/64/25/169136425.db2.gz QLGZNIVFWJJFSP-UHFFFAOYSA-N 1 0 168.171 1.140 50 0 in-vitro ADAARO [NH2+]=C(CCOc1ccccc1)NO 21967431 169136455 /nfs/dbraw/zinc/13/64/55/169136455.db2.gz IEAQDLMLOXCNLB-UHFFFAOYSA-N 1 0 180.207 1.412 50 0 ADAARO NC(=[NH2+])CCc1ccc(O)cc1 1439319 169136525 /nfs/dbraw/zinc/13/65/25/169136525.db2.gz VUANLSBLFULWGB-UHFFFAOYSA-N 1 0 164.208 1.261 50 0 ADAARO [NH2+]=C(Cc1cccc(F)c1)NO 16082805 169136588 /nfs/dbraw/zinc/13/65/88/169136588.db2.gz MOSPBYILTXWKJK-UHFFFAOYSA-N 1 0 168.171 1.324 50 0 in-vitro ADAARO NC(=[NH2+])Cc1c(F)cccc1Cl 1438981 169136649 /nfs/dbraw/zinc/13/66/49/169136649.db2.gz ZEZMPXLCEKAZFT-UHFFFAOYSA-N 1 0 186.617 1.958 50 0 in-vitro ADAARO NC(=[NH2+])COCc1ccccc1 1718963 169136760 /nfs/dbraw/zinc/13/67/60/169136760.db2.gz ZNKHURCEXVMNMH-UHFFFAOYSA-N 1 0 164.208 1.139 50 0 in-vitro ADAARO NC(=[NH2+])CCc1ccccc1 1664249 169136790 /nfs/dbraw/zinc/13/67/90/169136790.db2.gz NMPXWFVESZSJFH-UHFFFAOYSA-N 1 0 148.209 1.555 50 0 in-vitro ADAARO NC(=[NH2+])CSc1ccccc1 124482 169136878 /nfs/dbraw/zinc/13/68/78/169136878.db2.gz QTFCJAKFFGFURL-UHFFFAOYSA-N 1 0 166.249 1.715 50 0 in-vitro ADAARO NC(=[NH2+])CC1CCCC1 35975556 169136894 /nfs/dbraw/zinc/13/68/94/169136894.db2.gz DUNQXKUMEBBVTL-UHFFFAOYSA-N 1 0 126.203 1.503 50 0 in-vitro ADAARO NC(=[NH2+])C1(c2ccccc2)CC1 62780143 169136904 /nfs/dbraw/zinc/13/69/04/169136904.db2.gz KFOSBZWRVDQDJO-UHFFFAOYSA-N 1 0 160.220 1.654 50 0 in-vitro ADAARO NC(=[NH2+])CCOC1CCCCC1 19432868 169136926 /nfs/dbraw/zinc/13/69/26/169136926.db2.gz DABYTIRHCGBCSK-UHFFFAOYSA-N 1 0 170.256 1.662 50 0 in-vitro ADAARO NC(=[NH2+])CCCOc1ccccc1 19802605 169137001 /nfs/dbraw/zinc/13/70/01/169137001.db2.gz NZSAOZGIHOWBHB-UHFFFAOYSA-N 1 0 178.235 1.782 50 0 in-vitro ADAARO NC(=[NH2+])COc1cccc(Cl)c1 16625746 169137026 /nfs/dbraw/zinc/13/70/26/169137026.db2.gz GQIZPSYLKHRSNS-UHFFFAOYSA-N 1 0 184.626 1.655 50 0 in-vitro ADAARO NC(=[NH2+])CC1CCC1 78724321 169137043 /nfs/dbraw/zinc/13/70/43/169137043.db2.gz HMLWAPVTRFSLCX-UHFFFAOYSA-N 1 0 112.176 1.113 50 0 in-vitro ADAARO NC(=[NH2+])CC1CCCCC1 19516819 169137068 /nfs/dbraw/zinc/13/70/68/169137068.db2.gz GHGJHJPAQJNYHZ-UHFFFAOYSA-N 1 0 140.230 1.893 50 0 in-vitro ADAARO NC(=[NH2+])Cc1ccccc1 331952 169137272 /nfs/dbraw/zinc/13/72/72/169137272.db2.gz JTNCEQNHURODLX-UHFFFAOYSA-N 1 0 134.182 1.165 50 0 in-vitro,metabolite ADAARO NC(=[NH2+])Cc1ccccc1F 1443032 169137290 /nfs/dbraw/zinc/13/72/90/169137290.db2.gz ANZYSVVUFUNMDA-UHFFFAOYSA-N 1 0 152.172 1.304 50 0 in-vitro ADAARO NC(=[NH2+])NCCCOC1CCCCC1 95918037 169137294 /nfs/dbraw/zinc/13/72/94/169137294.db2.gz HFWHQZQTMQMJDP-UHFFFAOYSA-N 1 0 199.298 1.209 50 0 ADAARO NC(=[NH2+])NCCC1=CCCCC1 53278585 169137317 /nfs/dbraw/zinc/13/73/17/169137317.db2.gz AWOVQHNMFOXPEX-UHFFFAOYSA-N 1 0 167.256 1.360 50 0 ADAARO NC(=[NH2+])NCc1cccc2ccccc12 1433164 169137326 /nfs/dbraw/zinc/13/73/26/169137326.db2.gz HNCIJEQEYCRDJX-UHFFFAOYSA-N 1 0 199.257 1.823 50 0 ADAARO NC(=[NH2+])Cc1cccc(F)c1 1443031 169137365 /nfs/dbraw/zinc/13/73/65/169137365.db2.gz QHSUVKDTJQXHOM-UHFFFAOYSA-N 1 0 152.172 1.304 50 0 in-vitro ADAARO NC(=[NH2+])NCCCc1ccccc1 1571119 169137372 /nfs/dbraw/zinc/13/73/72/169137372.db2.gz WIPPGLNWEIAUEV-UHFFFAOYSA-N 1 0 177.251 1.102 50 0 in-vitro ADAARO NC(=[NH2+])Cc1ccc2ccccc2n1 20246734 169137473 /nfs/dbraw/zinc/13/74/73/169137473.db2.gz AJSOBQUZRSDENH-UHFFFAOYSA-N 1 0 185.230 1.713 50 0 ADAARO NC(=[NH2+])Cc1cccc(Cl)c1 13759266 169137558 /nfs/dbraw/zinc/13/75/58/169137558.db2.gz QJIUAYOJLKQNJV-UHFFFAOYSA-N 1 0 168.627 1.818 50 0 in-vitro ADAARO NC(=[NH2+])Cc1ccc(Cl)cc1 4203486 169137564 /nfs/dbraw/zinc/13/75/64/169137564.db2.gz RYZJCHOKMBHRFQ-UHFFFAOYSA-N 1 0 168.627 1.818 50 0 in-vitro ADAARO NC(=[NH2+])Cc1cccs1 1442838 169137616 /nfs/dbraw/zinc/13/76/16/169137616.db2.gz FGEMXCIELABZBO-UHFFFAOYSA-N 1 0 140.211 1.227 50 0 in-vitro ADAARO NC(=[NH2+])Cc1ccc(F)c(F)c1 4203560 169137635 /nfs/dbraw/zinc/13/76/35/169137635.db2.gz MOEFTLQZLSGPAJ-UHFFFAOYSA-N 1 0 170.162 1.443 50 0 ADAARO NC(=[NH2+])NCc1ccc(Cl)cc1 1606362 169137720 /nfs/dbraw/zinc/13/77/20/169137720.db2.gz CYYQVFZVCJFKES-UHFFFAOYSA-N 1 0 183.642 1.323 50 0 ADAARO NC(=[NH2+])NC1CCCCCCC1 5282839 169137723 /nfs/dbraw/zinc/13/77/23/169137723.db2.gz BQUQLGFVVZWIOR-UHFFFAOYSA-N 1 0 169.272 1.582 50 0 ADAARO NC(=[NH2+])Cc1ccsc1 1442839 169137830 /nfs/dbraw/zinc/13/78/30/169137830.db2.gz MKZCIVBMCPIMNP-UHFFFAOYSA-N 1 0 140.211 1.227 50 0 in-vitro ADAARO NC(=[NH2+])N1CC[C@@H]2CCCC[C@@H]21 96610521 169137854 /nfs/dbraw/zinc/13/78/54/169137854.db2.gz FZTAWHSKHRDTDB-YUMQZZPRSA-N 1 0 167.256 1.144 50 0 ADAARO NC(=[NH2+])NCc1ccccc1Cl 1458853 169137888 /nfs/dbraw/zinc/13/78/88/169137888.db2.gz AKIBCPLFOPWWPF-UHFFFAOYSA-N 1 0 183.642 1.323 50 0 ADAARO NC(=[NH2+])NCC1CCCCC1 1571110 169138014 /nfs/dbraw/zinc/13/80/14/169138014.db2.gz BGYOSMOBMYFJEB-UHFFFAOYSA-N 1 0 155.245 1.050 50 0 ADAARO NC(=[NH2+])Cc1ccc(F)cc1 1443074 169138108 /nfs/dbraw/zinc/13/81/08/169138108.db2.gz LBMVNBZGHAZJNN-UHFFFAOYSA-N 1 0 152.172 1.304 50 0 in-vitro ADAARO NC(=[NH2+])Cc1ccccc1Cl 14808259 169138188 /nfs/dbraw/zinc/13/81/88/169138188.db2.gz KCIXUTLAXXZBPY-UHFFFAOYSA-N 1 0 168.627 1.818 50 0 in-vitro ADAARO NC(=[NH2+])NC1CCCCCC1 4298894 169138228 /nfs/dbraw/zinc/13/82/28/169138228.db2.gz KBKZNKAGGCOLFU-UHFFFAOYSA-N 1 0 155.245 1.192 50 0 ADAARO NC(=[NH2+])Cc1ccc(F)cc1F 4203552 169138536 /nfs/dbraw/zinc/13/85/36/169138536.db2.gz FGIMSBWWLLNAPJ-UHFFFAOYSA-N 1 0 170.162 1.443 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc(C(F)(F)F)cc1 118910 169138723 /nfs/dbraw/zinc/13/87/23/169138723.db2.gz XFLGYXVBXUAGQV-UHFFFAOYSA-N 1 0 188.152 1.989 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc(-n2cccn2)cc1 19865956 169138733 /nfs/dbraw/zinc/13/87/33/169138733.db2.gz HAYMTQPSGJLYCY-UHFFFAOYSA-N 1 0 186.218 1.156 50 0 ADAARO NC(=[NH2+])Nc1ccccc1F 2526901 169138764 /nfs/dbraw/zinc/13/87/64/169138764.db2.gz GOKVJPDWTFRCEV-UHFFFAOYSA-N 1 0 153.160 1.131 50 0 in-vitro ADAARO NC(=[NH2+])Nc1cccc2c1CCCC2 52091859 169138845 /nfs/dbraw/zinc/13/88/45/169138845.db2.gz FWBXDJXRDLSLLU-UHFFFAOYSA-N 1 0 189.262 1.871 50 0 ADAARO NC(=[NH2+])N[C@H]1CCCc2sccc21 61368185 169138861 /nfs/dbraw/zinc/13/88/61/169138861.db2.gz KPFNVNFYDBWOLP-ZETCQYMHSA-N 1 0 195.291 1.609 50 0 in-vitro ADAARO NC(=[NH2+])SCc1cccc(F)c1 7715600 169138908 /nfs/dbraw/zinc/13/89/08/169138908.db2.gz YHCIBBKXBCHWIS-UHFFFAOYSA-N 1 0 184.239 1.952 50 0 in-vitro ADAARO NC(=[NH2+])c1c(F)cccc1Cl 1438988 169138985 /nfs/dbraw/zinc/13/89/85/169138985.db2.gz VPIREPLEOBSDJR-UHFFFAOYSA-N 1 0 172.590 1.763 50 0 in-vitro ADAARO NC(=[NH2+])Nc1cccc(F)c1 26423539 169138987 /nfs/dbraw/zinc/13/89/87/169138987.db2.gz LABHBMYCBQAGMN-UHFFFAOYSA-N 1 0 153.160 1.131 50 0 in-vitro ADAARO NC(=[NH2+])c1cc(O)cc(Cl)c1 40448122 169139005 /nfs/dbraw/zinc/13/90/05/169139005.db2.gz HHZTWSJEUTUDDX-UHFFFAOYSA-N 1 0 170.599 1.330 50 0 ADAARO NC(=[NH2+])[C@H]1OCCc2ccccc21 40539044 169139008 /nfs/dbraw/zinc/13/90/08/169139008.db2.gz VIDDUGYQLQPMOP-VIFPVBQESA-N 1 0 176.219 1.236 50 0 in-vitro ADAARO NC(=[NH2+])Sc1nc2ccccc2[nH]1 4008850 169139056 /nfs/dbraw/zinc/13/90/56/169139056.db2.gz RCHWYDXURDHCJN-UHFFFAOYSA-N 1 0 192.247 1.548 50 0 ADAARO NC(=[NH2+])[C@@H]1OCCc2ccccc21 40539046 169139090 /nfs/dbraw/zinc/13/90/90/169139090.db2.gz VIDDUGYQLQPMOP-SECBINFHSA-N 1 0 176.219 1.236 50 0 in-vitro ADAARO NC(=[NH2+])SCC1CC1 5184876 169139093 /nfs/dbraw/zinc/13/90/93/169139093.db2.gz MXHAYVZMYCMQIA-UHFFFAOYSA-N 1 0 130.216 1.023 50 0 in-vitro ADAARO NC(=[NH2+])c1cc(Cl)nc(Cl)c1 163105 169139122 /nfs/dbraw/zinc/13/91/22/169139122.db2.gz SLISMJRYQHIDMO-UHFFFAOYSA-N 1 0 190.033 1.672 50 0 ADAARO NC(=[NH2+])c1cc(F)c(F)c(F)c1 1442861 169139129 /nfs/dbraw/zinc/13/91/29/169139129.db2.gz RNEUKMKQVDEIAF-UHFFFAOYSA-N 1 0 174.125 1.388 50 0 ADAARO NC(=[NH2+])N[C@H]1CCc2ccccc21 52091899 169139216 /nfs/dbraw/zinc/13/92/16/169139216.db2.gz HQUZQWAUUIAVQC-VIFPVBQESA-N 1 0 175.235 1.157 50 0 in-vitro ADAARO NC(=[NH2+])Nc1ccc(F)c(Cl)c1 34936093 169139268 /nfs/dbraw/zinc/13/92/68/169139268.db2.gz YZCRXUSPPZGVKK-UHFFFAOYSA-N 1 0 187.605 1.784 50 0 ADAARO NC(=[NH2+])c1cc(F)cc(F)c1 1437907 169139324 /nfs/dbraw/zinc/13/93/24/169139324.db2.gz OCOJRZRBYPOQET-UHFFFAOYSA-N 1 0 156.135 1.249 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc(Br)cc1 1437890 169139380 /nfs/dbraw/zinc/13/93/80/169139380.db2.gz JODFDXUBCBQKNC-UHFFFAOYSA-N 1 0 199.051 1.733 50 0 in-vitro ADAARO NC(=[NH2+])c1c[nH]c2ccccc12 1439371 169139415 /nfs/dbraw/zinc/13/94/15/169139415.db2.gz JJURUVSVHQHERL-UHFFFAOYSA-N 1 0 159.192 1.452 50 0 ADAARO NC(=[NH2+])Nc1cccc2ncccc12 19702715 169139454 /nfs/dbraw/zinc/13/94/54/169139454.db2.gz AIGPWKSUDCZIJH-UHFFFAOYSA-N 1 0 186.218 1.540 50 0 ADAARO NC(=[NH2+])SCc1ccccc1F 4377625 169139455 /nfs/dbraw/zinc/13/94/55/169139455.db2.gz MBXWVHSMOANKNW-UHFFFAOYSA-N 1 0 184.239 1.952 50 0 ADAARO NC(=[NH2+])c1cc2ccccc2cn1 1439375 169139462 /nfs/dbraw/zinc/13/94/62/169139462.db2.gz COZAVZGBNOTONS-UHFFFAOYSA-N 1 0 171.203 1.519 50 0 in-vitro ADAARO NC(=[NH2+])[C@@H]1CC=CCC1 26897975 169139464 /nfs/dbraw/zinc/13/94/64/169139464.db2.gz YKBFYDSZZRXAQR-ZCFIWIBFSA-N 1 0 124.187 1.279 50 0 in-vitro ADAARO NC(=[NH2+])Sc1cc(O)ccc1O 15779066 169139477 /nfs/dbraw/zinc/13/94/77/169139477.db2.gz OHGQXNRDBZBSIU-UHFFFAOYSA-N 1 0 184.220 1.083 50 0 ADAARO NC(=[NH2+])c1cc(Cl)ccc1F 2540629 169139486 /nfs/dbraw/zinc/13/94/86/169139486.db2.gz SROQEVHFERCATR-UHFFFAOYSA-N 1 0 172.590 1.763 50 0 in-vitro ADAARO NC(=[NH2+])c1cc(Cl)cs1 72226060 169139499 /nfs/dbraw/zinc/13/94/99/169139499.db2.gz IXKLPVYFYOHIGK-UHFFFAOYSA-N 1 0 160.629 1.686 50 0 ADAARO NC(=[NH2+])[C@@H]1CCOc2ccccc21 82002546 169139511 /nfs/dbraw/zinc/13/95/11/169139511.db2.gz FBAXQQAIEXHLEJ-MRVPVSSYSA-N 1 0 176.219 1.489 50 0 ADAARO NC(=[NH2+])SCCOc1ccccc1 6115980 169139541 /nfs/dbraw/zinc/13/95/41/169139541.db2.gz XCSGNVCJTAKNRY-UHFFFAOYSA-N 1 0 196.275 1.692 50 0 ADAARO NC(=[NH2+])SCC(F)(F)F 74942210 169139557 /nfs/dbraw/zinc/13/95/57/169139557.db2.gz ASJXRPMDYIJDMZ-UHFFFAOYSA-N 1 0 158.148 1.175 50 0 in-vitro ADAARO NC(=[NH2+])Sc1ccccn1 1615476 169139567 /nfs/dbraw/zinc/13/95/67/169139567.db2.gz SPRQUVRVVMWPPB-UHFFFAOYSA-N 1 0 153.210 1.067 50 0 ADAARO NC(=[NH2+])[C@H]1CC=CCC1 26897972 169139624 /nfs/dbraw/zinc/13/96/24/169139624.db2.gz YKBFYDSZZRXAQR-LURJTMIESA-N 1 0 124.187 1.279 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc(C(F)(F)F)cn1 124345 169139627 /nfs/dbraw/zinc/13/96/27/169139627.db2.gz DNYOORVOOFXTAT-UHFFFAOYSA-N 1 0 189.140 1.384 50 0 in-vitro ADAARO NC(=[NH2+])SCc1ccccn1 8574694 169139659 /nfs/dbraw/zinc/13/96/59/169139659.db2.gz XXCFJIHBZYKRJW-UHFFFAOYSA-N 1 0 167.237 1.208 50 0 ADAARO NC(=[NH2+])c1ccc(C(F)(F)F)nc1 154415 169139665 /nfs/dbraw/zinc/13/96/65/169139665.db2.gz HEJHFZBJXIMGQF-UHFFFAOYSA-N 1 0 189.140 1.384 50 0 in-vitro ADAARO NC(=[NH2+])c1cc(Cl)ccn1 71186679 169139682 /nfs/dbraw/zinc/13/96/82/169139682.db2.gz BLQJIGBRQVJAQO-UHFFFAOYSA-N 1 0 155.588 1.019 50 0 in-vitro ADAARO NC(=[NH2+])c1cc(C(F)(F)F)ccn1 71186702 169139696 /nfs/dbraw/zinc/13/96/96/169139696.db2.gz NWZZDTXSKIIUST-UHFFFAOYSA-N 1 0 189.140 1.384 50 0 ADAARO NC(=[NH2+])Nc1ccc(F)cc1F 20857747 169139718 /nfs/dbraw/zinc/13/97/18/169139718.db2.gz FVCVLAFKKDYJIM-UHFFFAOYSA-N 1 0 171.150 1.270 50 0 ADAARO NC(=[NH2+])SC1CCCCC1 19864960 169139744 /nfs/dbraw/zinc/13/97/44/169139744.db2.gz MCVXJUWPGZMOBO-UHFFFAOYSA-N 1 0 158.270 1.946 50 0 ADAARO NC(=[NH2+])Nc1cccc(Cl)c1 13488369 169139792 /nfs/dbraw/zinc/13/97/92/169139792.db2.gz DWLMIHRZURMFAQ-UHFFFAOYSA-N 1 0 169.615 1.645 50 0 in-vitro ADAARO NC(=[NH2+])SC(=O)c1ccccc1 4476804 169139897 /nfs/dbraw/zinc/13/98/97/169139897.db2.gz LZYDTZVMZCAOJQ-UHFFFAOYSA-N 1 0 180.232 1.453 50 0 ADAARO NC(=[NH2+])SCc1ccc(F)cc1 4013946 169139916 /nfs/dbraw/zinc/13/99/16/169139916.db2.gz JRHCKECGYOWIIM-UHFFFAOYSA-N 1 0 184.239 1.952 50 0 in-vivo ADAARO NC(=[NH2+])[C@H]1Cc2ccccc21 83119988 169139966 /nfs/dbraw/zinc/13/99/66/169139966.db2.gz APGRMXSUBUMNNX-QMMMGPOBSA-N 1 0 146.193 1.262 50 0 in-vitro ADAARO NC(=[NH2+])c1c(F)cccc1F 1437471 169140027 /nfs/dbraw/zinc/14/00/27/169140027.db2.gz VCGXHAPBHZDDDJ-UHFFFAOYSA-N 1 0 156.135 1.249 50 0 in-vitro ADAARO NC(=[NH2+])c1cc(OCC2CC2)ccn1 61814564 169140053 /nfs/dbraw/zinc/14/00/53/169140053.db2.gz WJRNBHKIBIJHPY-UHFFFAOYSA-N 1 0 191.234 1.154 50 0 ADAARO NC(=[NH2+])N[C@@H]1CCCc2sccc21 61368182 169140092 /nfs/dbraw/zinc/14/00/92/169140092.db2.gz KPFNVNFYDBWOLP-SSDOTTSWSA-N 1 0 195.291 1.609 50 0 in-vitro ADAARO NC(=[NH2+])c1cc(F)c(F)cc1F 1442868 169140115 /nfs/dbraw/zinc/14/01/15/169140115.db2.gz JXGCBKPKCDTSGD-UHFFFAOYSA-N 1 0 174.125 1.388 50 0 ADAARO NC(=[NH2+])SCc1ccccc1 3874922 169140120 /nfs/dbraw/zinc/14/01/20/169140120.db2.gz GTRLQRHWPXEBLF-UHFFFAOYSA-N 1 0 166.249 1.813 50 0 in-vitro ADAARO NC(=[NH2+])[C@H]1CCOc2ccccc21 82002548 169140126 /nfs/dbraw/zinc/14/01/26/169140126.db2.gz FBAXQQAIEXHLEJ-QMMMGPOBSA-N 1 0 176.219 1.489 50 0 ADAARO NC(=[NH2+])SCCc1ccccc1 16983019 169140149 /nfs/dbraw/zinc/14/01/49/169140149.db2.gz BQDZMSRPNHLCMX-UHFFFAOYSA-N 1 0 180.276 1.856 50 0 ADAARO NC(=[NH2+])c1c(F)cc(F)cc1F 2599224 169140163 /nfs/dbraw/zinc/14/01/63/169140163.db2.gz CYZIWQQIIHNZKB-UHFFFAOYSA-N 1 0 174.125 1.388 50 0 in-vitro ADAARO NC(=[NH2+])OCc1ccccc1 20522765 169140192 /nfs/dbraw/zinc/14/01/92/169140192.db2.gz JDCAYEAYSDJYOR-UHFFFAOYSA-N 1 0 150.181 1.097 50 0 ADAARO NC(=[NH2+])SCC(F)(F)C(F)F 72232838 169140205 /nfs/dbraw/zinc/14/02/05/169140205.db2.gz SSJBGIVOENEGSB-UHFFFAOYSA-N 1 0 190.165 1.513 50 0 ADAARO NC(=[NH2+])[C@@H]1Cc2ccccc21 83119989 169140207 /nfs/dbraw/zinc/14/02/07/169140207.db2.gz APGRMXSUBUMNNX-MRVPVSSYSA-N 1 0 146.193 1.262 50 0 in-vitro ADAARO NC(=[NH2+])Nc1ccc(F)c(F)c1 34936094 169140229 /nfs/dbraw/zinc/14/02/29/169140229.db2.gz UZWVFWWLTQMFFO-UHFFFAOYSA-N 1 0 171.150 1.270 50 0 ADAARO NC(=[NH2+])SCCc1ccncc1 3877451 169140279 /nfs/dbraw/zinc/14/02/79/169140279.db2.gz LGGAKCKEGGWVSI-UHFFFAOYSA-N 1 0 181.264 1.251 50 0 in-vitro ADAARO NC(=[NH2+])SCc1cccnc1 39378134 169140284 /nfs/dbraw/zinc/14/02/84/169140284.db2.gz ZNENLLRNRVMVNJ-UHFFFAOYSA-N 1 0 167.237 1.208 50 0 ADAARO NC(=[NH2+])c1ccccc1F 1443072 169140524 /nfs/dbraw/zinc/14/05/24/169140524.db2.gz HIEHSPCNXRHNRG-UHFFFAOYSA-N 1 0 138.145 1.110 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc(F)cc1 1420576 169140658 /nfs/dbraw/zinc/14/06/58/169140658.db2.gz OSTGTIZRQZOYAH-UHFFFAOYSA-N 1 0 138.145 1.110 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc(Cl)s1 36379849 169140691 /nfs/dbraw/zinc/14/06/91/169140691.db2.gz PRXKSKFBKYEQDV-UHFFFAOYSA-N 1 0 160.629 1.686 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc(F)c(F)c1 1437482 169140771 /nfs/dbraw/zinc/14/07/71/169140771.db2.gz FNIWQASUVMMYGX-UHFFFAOYSA-N 1 0 156.135 1.249 50 0 in-vitro ADAARO NC(=[NH2+])c1ccccc1C(F)(F)F 1442836 169140786 /nfs/dbraw/zinc/14/07/86/169140786.db2.gz UPELHUMVIWYFQA-UHFFFAOYSA-N 1 0 188.152 1.989 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc2ccccc2n1 1442826 169140803 /nfs/dbraw/zinc/14/08/03/169140803.db2.gz JIWJJXPQJFXRSL-UHFFFAOYSA-N 1 0 171.203 1.519 50 0 in-vitro ADAARO NC(=[NH2+])c1ncccc1Cl 34553101 169140856 /nfs/dbraw/zinc/14/08/56/169140856.db2.gz DFHFUKXIEFZQDR-UHFFFAOYSA-N 1 0 155.588 1.019 50 0 in-vitro ADAARO NC(=[NH2+])c1cccc2[nH]ccc12 58827473 169141035 /nfs/dbraw/zinc/14/10/35/169141035.db2.gz DUPGWNUHZFFMBT-UHFFFAOYSA-N 1 0 159.192 1.452 50 0 ADAARO NC(=[NH2+])c1ccc(Cl)nc1 26897978 169141164 /nfs/dbraw/zinc/14/11/64/169141164.db2.gz HTSIEJMKEVXFNI-UHFFFAOYSA-N 1 0 155.588 1.019 50 0 in-vitro ADAARO NC(=[NH2+])c1cccc(C(F)(F)F)n1 71186701 169141178 /nfs/dbraw/zinc/14/11/78/169141178.db2.gz USLTZGASVJNYLR-UHFFFAOYSA-N 1 0 189.140 1.384 50 0 ADAARO NC(=[NH2+])c1ncccc1C(F)(F)F 20286599 169141191 /nfs/dbraw/zinc/14/11/91/169141191.db2.gz HCXKNFZGDIYIBO-UHFFFAOYSA-N 1 0 189.140 1.384 50 0 ADAARO NC(=[NH2+])c1ccc(F)cc1F 1437479 169141231 /nfs/dbraw/zinc/14/12/31/169141231.db2.gz LFZMWCBKKYONNY-UHFFFAOYSA-N 1 0 156.135 1.249 50 0 in-vitro ADAARO NC(=[NH2+])c1ccccc1Cl 110578 169141291 /nfs/dbraw/zinc/14/12/91/169141291.db2.gz MXVMRHIWTSFDPU-UHFFFAOYSA-N 1 0 154.600 1.624 50 0 in-vitro ADAARO NC(=[NH2+])c1ccnc(Cl)c1 35323124 169141296 /nfs/dbraw/zinc/14/12/96/169141296.db2.gz SONBKIBXOFXRHV-UHFFFAOYSA-N 1 0 155.588 1.019 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc(Cl)cc1 126846 169141373 /nfs/dbraw/zinc/14/13/73/169141373.db2.gz LFCUMSZYMJRUHD-UHFFFAOYSA-N 1 0 154.600 1.624 50 0 in-vitro ADAARO NC(=[NH2+])c1ccccc1Br 1437884 169141382 /nfs/dbraw/zinc/14/13/82/169141382.db2.gz PIHUJDNZNWCAMK-UHFFFAOYSA-N 1 0 199.051 1.733 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc2cc(O)ccc2c1 2516802 169141486 /nfs/dbraw/zinc/14/14/86/169141486.db2.gz ULKSSXOMKDEKPC-UHFFFAOYSA-N 1 0 186.214 1.829 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc(N2CCCC2)cc1 19865690 169141508 /nfs/dbraw/zinc/14/15/08/169141508.db2.gz QZHNLVMOGLSGRW-UHFFFAOYSA-N 1 0 189.262 1.571 50 0 in-vitro ADAARO NC(=[NH2+])c1cccc(Br)c1 1437887 169141538 /nfs/dbraw/zinc/14/15/38/169141538.db2.gz JKYFHENVIWHGLJ-UHFFFAOYSA-N 1 0 199.051 1.733 50 0 in-vitro ADAARO NC(=[NH2+])c1cccc(F)c1 1443069 169141543 /nfs/dbraw/zinc/14/15/43/169141543.db2.gz SOYGDYKLWFRCGI-UHFFFAOYSA-N 1 0 138.145 1.110 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc(Cl)cc1F 2599222 169141578 /nfs/dbraw/zinc/14/15/78/169141578.db2.gz KDFXGAPXFWKKNG-UHFFFAOYSA-N 1 0 172.590 1.763 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc(F)cc1Cl 1438999 169141669 /nfs/dbraw/zinc/14/16/69/169141669.db2.gz KESVNOXPDZLHGZ-UHFFFAOYSA-N 1 0 172.590 1.763 50 0 in-vitro ADAARO NC(=[NH2+])c1cccc(Cl)n1 71186678 169141757 /nfs/dbraw/zinc/14/17/57/169141757.db2.gz XTJYECULYBIMID-UHFFFAOYSA-N 1 0 155.588 1.019 50 0 in-vitro ADAARO NC(=[NH2+])c1cccc(C(F)(F)F)c1 89416 169141800 /nfs/dbraw/zinc/14/18/00/169141800.db2.gz QDVHJZUOARUZME-UHFFFAOYSA-N 1 0 188.152 1.989 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc2ncccc2c1 62801458 169141803 /nfs/dbraw/zinc/14/18/03/169141803.db2.gz CUBFHXQSPKNSTK-UHFFFAOYSA-N 1 0 171.203 1.519 50 0 ADAARO NC(=[NH2+])c1ccsc1 161834 169141833 /nfs/dbraw/zinc/14/18/33/169141833.db2.gz JKCKRNYECSTMLV-UHFFFAOYSA-N 1 0 126.184 1.032 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc(C2OCCO2)cc1 44138073 169141937 /nfs/dbraw/zinc/14/19/37/169141937.db2.gz GFPIDFIRHYXSII-UHFFFAOYSA-N 1 0 192.218 1.016 50 0 ADAARO NC(=[NH2+])c1ccc(F)c(Cl)c1 89244 169141990 /nfs/dbraw/zinc/14/19/90/169141990.db2.gz JEKDVUSWMBGDNX-UHFFFAOYSA-N 1 0 172.590 1.763 50 0 in-vitro ADAARO NC(=[NH2+])c1cccc(Cl)c1 1438985 169142045 /nfs/dbraw/zinc/14/20/45/169142045.db2.gz LURAKWQBMZORLL-UHFFFAOYSA-N 1 0 154.600 1.624 50 0 in-vitro ADAARO NC(=[NH2+])c1cccs1 19906 169142065 /nfs/dbraw/zinc/14/20/65/169142065.db2.gz QSELGEUCFNFITD-UHFFFAOYSA-N 1 0 126.184 1.032 50 0 in-vitro ADAARO NC(=[NH2+])c1ccc(Cl)cn1 71186680 169142122 /nfs/dbraw/zinc/14/21/22/169142122.db2.gz OPDOCMQMKXEZHY-UHFFFAOYSA-N 1 0 155.588 1.019 50 0 in-vitro ADAARO [NH2+]=C(c1ccncc1)N1CCCCC1 32498080 169142493 /nfs/dbraw/zinc/14/24/93/169142493.db2.gz VPURAMZBQYPNIP-UHFFFAOYSA-N 1 0 189.262 1.893 50 0 ADAARO N=C(NO)c1cccc(Cl)c1F 75915229 169142616 /nfs/dbraw/zinc/14/26/16/169142616.db2.gz WZRKGMIYIIRTEA-UHFFFAOYSA-N 1 0 188.589 1.783 50 0 ADAARO NNC(=[NH2+])c1ccc2ccccc2n1 42038483 169143195 /nfs/dbraw/zinc/14/31/95/169143195.db2.gz WNIZZMOQFRUDCK-UHFFFAOYSA-N 1 0 186.218 1.023 50 0 in-vitro ADAARO N=C(NO)c1c(F)cccc1Cl 8376656 169143269 /nfs/dbraw/zinc/14/32/69/169143269.db2.gz IGJUYVFAGFNDBJ-UHFFFAOYSA-N 1 0 188.589 1.783 50 0 ADAARO [NH2+]=C(c1ccccn1)N1CCCCC1 33359742 169143579 /nfs/dbraw/zinc/14/35/79/169143579.db2.gz INUZLGNAMCLHES-UHFFFAOYSA-N 1 0 189.262 1.893 50 0 ADAARO [NH2+]=C(c1cccnc1)N1CCCCC1 33359744 169143688 /nfs/dbraw/zinc/14/36/88/169143688.db2.gz SDXWEXFIAVEDRG-UHFFFAOYSA-N 1 0 189.262 1.893 50 0 ADAARO [NH2+]=C1NCc2ccccc21 127291 169144538 /nfs/dbraw/zinc/14/45/38/169144538.db2.gz MTKKGHVQPVOXIL-UHFFFAOYSA-N 1 0 132.166 1.115 50 0 in-vitro ADAARO [NH2+]=C1CCCN1c1ccccc1O 4571093 169144647 /nfs/dbraw/zinc/14/46/47/169144647.db2.gz HJNYIVDDKKNWJH-UHFFFAOYSA-N 1 0 176.219 1.970 50 0 ADAARO N=C1CN2CCC[NH+]=C2c2ccccc21 4552252 169145032 /nfs/dbraw/zinc/14/50/32/169145032.db2.gz UKLVUPSXRFFEBW-UHFFFAOYSA-N 1 0 199.257 1.520 50 0 ADAARO [NH2+]=Cc1ccc(O)cc1O 4591290 169145055 /nfs/dbraw/zinc/14/50/55/169145055.db2.gz KFOWAWGTHHAOBJ-UHFFFAOYSA-N 1 0 137.138 1.095 50 0 ADAARO Nc1c2c([nH+]c3c1CCC3)CCCC2 6780651 169145209 /nfs/dbraw/zinc/14/52/09/169145209.db2.gz YLUSMKAJIQOXPV-UHFFFAOYSA-N 1 0 188.274 1.862 50 0 investigational ADAARO [NH2+]=Cc1ccccc1O 4921497 169145366 /nfs/dbraw/zinc/14/53/66/169145366.db2.gz BPELEZSCHIEMAE-UHFFFAOYSA-N 1 0 121.139 1.390 50 0 in-vitro ADAARO [NH2+]=C1CCCS1 100006757 169145476 /nfs/dbraw/zinc/14/54/76/169145476.db2.gz CNHYKKNIIGEXAY-UHFFFAOYSA-N 1 0 101.174 1.491 50 0 in-vitro ADAARO [NH3+]C[C@H]1C[C@H]1c1cccc(F)c1 54561700 169216804 /nfs/dbraw/zinc/21/68/04/169216804.db2.gz ASHHTAGUESNAIP-SCZZXKLOSA-N 1 0 165.211 1.888 50 0 ADAARO NC(=O)C1([NH+]2CCCC2)CCCCC1 72238509 169146188 /nfs/dbraw/zinc/14/61/88/169146188.db2.gz ODQQKPUTQYMRND-UHFFFAOYSA-N 1 0 196.294 1.270 50 0 ADAARO NC(=O)CC[NH2+]C1CCCCCCC1 3384408 169149534 /nfs/dbraw/zinc/14/95/34/169149534.db2.gz OUEHBELSEAVUTH-UHFFFAOYSA-N 1 0 198.310 1.564 50 0 ADAARO NC(=O)CC[NH2+]CCC1=CCCCC1 5859811 169149762 /nfs/dbraw/zinc/14/97/62/169149762.db2.gz WSIDHIOEDOCJJP-UHFFFAOYSA-N 1 0 196.294 1.342 50 0 ADAARO NC(=O)C[NH2+]CCC1CCCCC1 37741900 169150317 /nfs/dbraw/zinc/15/03/17/169150317.db2.gz KCEMYYDOGBIMDZ-UHFFFAOYSA-N 1 0 184.283 1.032 50 0 in-vitro ADAARO NC(=O)C[C@@H]([NH3+])c1ccccc1Cl 20577966 169152533 /nfs/dbraw/zinc/15/25/33/169152533.db2.gz RWVNRQBSMDEPHE-MRVPVSSYSA-N 1 0 198.653 1.215 50 0 in-vitro ADAARO NC(=O)C[C@@H]([NH3+])c1cccc(Cl)c1 20578074 169153692 /nfs/dbraw/zinc/15/36/92/169153692.db2.gz RTPKAWXRWXENEJ-MRVPVSSYSA-N 1 0 198.653 1.215 50 0 in-vitro ADAARO NC(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1 20578094 169154092 /nfs/dbraw/zinc/15/40/92/169154092.db2.gz HUEMYQOYOXHOJL-MRVPVSSYSA-N 1 0 198.653 1.215 50 0 in-vitro ADAARO NC(=O)C[C@H]([NH3+])c1ccc(Cl)cc1 20578091 169154764 /nfs/dbraw/zinc/15/47/64/169154764.db2.gz HUEMYQOYOXHOJL-QMMMGPOBSA-N 1 0 198.653 1.215 50 0 in-vitro ADAARO NC(=O)C[C@H]([NH3+])c1cccc(Cl)c1 20578071 169154856 /nfs/dbraw/zinc/15/48/56/169154856.db2.gz RTPKAWXRWXENEJ-QMMMGPOBSA-N 1 0 198.653 1.215 50 0 in-vitro ADAARO NC(=O)C[C@H]([NH3+])c1ccccc1Cl 20577963 169155475 /nfs/dbraw/zinc/15/54/75/169155475.db2.gz RWVNRQBSMDEPHE-QMMMGPOBSA-N 1 0 198.653 1.215 50 0 in-vitro ADAARO NC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCCC1 238620334 169160703 /nfs/dbraw/zinc/16/07/03/169160703.db2.gz NAKUWILJWOVUEQ-ZJUUUORDSA-N 1 0 196.294 1.173 50 0 ADAARO [NH3+]C[C@H]1C[C@@H]1c1ccccc1 29480843 169216902 /nfs/dbraw/zinc/21/69/02/169216902.db2.gz ATTLDOZXPZCOGK-NXEZZACHSA-N 1 0 147.221 1.749 50 0 in-vitro ADAARO [NH3+]C1(C(=O)c2ccc(F)cc2)CC1 11630584 169168861 /nfs/dbraw/zinc/16/88/61/169168861.db2.gz ITQVHZVUOXTRNV-UHFFFAOYSA-N 1 0 179.194 1.500 50 0 in-vitro ADAARO [NH3+]C1(C2CC2)CCCC1 82835934 169168914 /nfs/dbraw/zinc/16/89/14/169168914.db2.gz AMNLAEZUDVGLNT-UHFFFAOYSA-N 1 0 125.215 1.668 50 0 ADAARO [NH3+]C1(C(=O)Nc2ccccc2)CC1 83833698 169168916 /nfs/dbraw/zinc/16/89/16/169168916.db2.gz BZWZRDFLJJWISI-UHFFFAOYSA-N 1 0 176.219 1.116 50 0 in-vitro ADAARO [NH3+]C1(CO)CCCCCCC1 38124599 169168925 /nfs/dbraw/zinc/16/89/25/169168925.db2.gz QKGFFCDDDREERJ-UHFFFAOYSA-N 1 0 157.257 1.421 50 0 in-vitro ADAARO [NH3+]C1(C2CCC2)CC1 83136426 169168974 /nfs/dbraw/zinc/16/89/74/169168974.db2.gz QKTUELUDHVVCKQ-UHFFFAOYSA-N 1 0 111.188 1.278 50 0 in-vitro ADAARO [NH3+]C1(CC2CCC2)CCOCC1 91675741 169169089 /nfs/dbraw/zinc/16/90/89/169169089.db2.gz DGGUXINCECYIIH-UHFFFAOYSA-N 1 0 169.268 1.685 50 0 ADAARO [NH3+]C1(C2CC2)CCC1 82828814 169169096 /nfs/dbraw/zinc/16/90/96/169169096.db2.gz QYJQABNGXUHAOU-UHFFFAOYSA-N 1 0 111.188 1.278 50 0 ADAARO [NH3+]C1(CO)CCCCCC1 38124523 169169107 /nfs/dbraw/zinc/16/91/07/169169107.db2.gz YCUBUBCODJSBIC-UHFFFAOYSA-N 1 0 143.230 1.030 50 0 in-vitro ADAARO [NH3+]C1(C(F)F)CCCC1 87688134 169169111 /nfs/dbraw/zinc/16/91/11/169169111.db2.gz NFURXEZDAFTNTF-UHFFFAOYSA-N 1 0 135.157 1.523 50 0 in-vitro ADAARO [NH3+]C1(CC2CC2)CCC1 82835929 169169327 /nfs/dbraw/zinc/16/93/27/169169327.db2.gz FBMQIEKVISGVDO-UHFFFAOYSA-N 1 0 125.215 1.668 50 0 ADAARO [NH3+]C1(CO)C2CC3CC(C2)CC1C3 34449541 169169350 /nfs/dbraw/zinc/16/93/50/169169350.db2.gz JNAKWHJSIJOZFK-UHFFFAOYSA-N 1 0 181.279 1.132 50 0 ADAARO [NH3+]C1(C2CCCC2)CC1 19092803 169169419 /nfs/dbraw/zinc/16/94/19/169169419.db2.gz HWARWUMUEVDPCZ-UHFFFAOYSA-N 1 0 125.215 1.668 50 0 ADAARO [NH3+]C1(CC2CC2)CC1 82411822 169169451 /nfs/dbraw/zinc/16/94/51/169169451.db2.gz RUIILYBRDBGZKG-UHFFFAOYSA-N 1 0 111.188 1.278 50 0 ADAARO [NH3+]C1(CC2CC2)CCOCC1 91675735 169169516 /nfs/dbraw/zinc/16/95/16/169169516.db2.gz ANBKZDXTGIRZNE-UHFFFAOYSA-N 1 0 155.241 1.294 50 0 ADAARO [NH3+]C1(C(F)F)CCCCC1 87688297 169169647 /nfs/dbraw/zinc/16/96/47/169169647.db2.gz JPLTYEMKLUWIGR-UHFFFAOYSA-N 1 0 149.184 1.913 50 0 in-vitro ADAARO [NH3+]C1(CCO)CCCCC1 72283310 169169695 /nfs/dbraw/zinc/16/96/95/169169695.db2.gz AFKLOISITINPNP-UHFFFAOYSA-N 1 0 143.230 1.030 50 0 in-vitro ADAARO [NH3+]C1(COc2ccc(F)cc2)CC1 12374629 169169756 /nfs/dbraw/zinc/16/97/56/169169756.db2.gz YZFYJWQFJPVSIF-UHFFFAOYSA-N 1 0 181.210 1.696 50 0 ADAARO [NH3+]C1(C(=O)c2ccccc2)CC1 11630576 169169758 /nfs/dbraw/zinc/16/97/58/169169758.db2.gz XCXPTIZEOQRRLJ-UHFFFAOYSA-N 1 0 161.204 1.361 50 0 ADAARO [NH3+]C1(C2CCSCC2)CC1 82846320 169169783 /nfs/dbraw/zinc/16/97/83/169169783.db2.gz VTHFHXGELSNLPV-UHFFFAOYSA-N 1 0 157.282 1.621 50 0 ADAARO [NH3+]C1(c2ccncc2)CCC1 66327915 169170079 /nfs/dbraw/zinc/17/00/79/169170079.db2.gz IDWHILRTFFJHIU-UHFFFAOYSA-N 1 0 148.209 1.420 50 0 in-vitro ADAARO [NH2+]=C1NC[C@@H](c2ccc(Cl)cc2)O1 16954379 169170869 /nfs/dbraw/zinc/17/08/69/169170869.db2.gz HAHOPPGVHWVBRR-QMMMGPOBSA-N 1 0 196.637 1.726 50 0 in-man ADAARO NC1=[NH+]N(c2ccccc2)CC1 16982849 169171006 /nfs/dbraw/zinc/17/10/06/169171006.db2.gz QENUTIJJGGTTPE-UHFFFAOYSA-N 1 0 161.208 1.169 50 0 in-vitro ADAARO NC1=[NH+]N(c2cccc(Cl)c2)CC1 34592816 169171018 /nfs/dbraw/zinc/17/10/18/169171018.db2.gz BBHIPBFRTBIKAC-UHFFFAOYSA-N 1 0 195.653 1.822 50 0 ADAARO [NH2+]=C1NC[C@@H](c2ccccc2)O1 13588697 169171194 /nfs/dbraw/zinc/17/11/94/169171194.db2.gz SYAKTDIEAPMBAL-QMMMGPOBSA-N 1 0 162.192 1.073 50 0 in-man ADAARO NC1=[NH+]C[C@@H](C(F)(F)F)CC1 64370245 169171314 /nfs/dbraw/zinc/17/13/14/169171314.db2.gz DITSDQZSJRLVRD-BYPYZUCNSA-N 1 0 166.146 1.316 50 0 in-vitro ADAARO [NH2+]=C1NC[C@H](c2ccc(Cl)cc2)O1 8628595 169171351 /nfs/dbraw/zinc/17/13/51/169171351.db2.gz HAHOPPGVHWVBRR-MRVPVSSYSA-N 1 0 196.637 1.726 50 0 in-man ADAARO NC1=[NH+]C[C@H](C(F)(F)F)CC1 64370244 169171360 /nfs/dbraw/zinc/17/13/60/169171360.db2.gz DITSDQZSJRLVRD-SCSAIBSYSA-N 1 0 166.146 1.316 50 0 in-vitro ADAARO [NH2+]=C1NC[C@H](c2ccccc2)O1 13588698 169171415 /nfs/dbraw/zinc/17/14/15/169171415.db2.gz SYAKTDIEAPMBAL-MRVPVSSYSA-N 1 0 162.192 1.073 50 0 in-man ADAARO [NH3+]C1CCC(C(F)F)CC1 95348241 169171800 /nfs/dbraw/zinc/17/18/00/169171800.db2.gz FHINUUZVNPBBSO-UHFFFAOYSA-N 1 0 149.184 1.769 50 0 ADAARO [NH3+]C1CCC(O)(C(F)(F)F)CC1 57218914 169171841 /nfs/dbraw/zinc/17/18/41/169171841.db2.gz XQZKKRXYSBWMAL-UHFFFAOYSA-N 1 0 183.173 1.181 50 0 ADAARO [NH3+]C1C2CC3CC(C2)CC1C3 3861190 169172053 /nfs/dbraw/zinc/17/20/53/169172053.db2.gz QZWNXXINFABALM-UHFFFAOYSA-N 1 0 151.253 1.770 50 0 in-vitro ADAARO [NH3+]C1CCC(O)(c2cccnc2)CC1 84323722 169172227 /nfs/dbraw/zinc/17/22/27/169172227.db2.gz IWAWAEDDGPXNOL-UHFFFAOYSA-N 1 0 192.262 1.171 50 0 in-vitro ADAARO [NH3+]C1CC(OCc2ccccc2)C1 38856712 169172328 /nfs/dbraw/zinc/17/23/28/169172328.db2.gz GYSQDBGCDZWPMQ-UHFFFAOYSA-N 1 0 177.247 1.693 50 0 ADAARO [NH3+]C1CC(C2CCCC2)C1 215791116 169172397 /nfs/dbraw/zinc/17/23/97/169172397.db2.gz IIVQSHRXGZKFJF-UHFFFAOYSA-N 1 0 139.242 1.914 50 0 ADAARO [NH3+]C1CC(C2CCC2)C1 215791052 169172408 /nfs/dbraw/zinc/17/24/08/169172408.db2.gz IGBALERFQLXWIJ-UHFFFAOYSA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+]C1CC(c2ccccc2)C1 32156527 169172560 /nfs/dbraw/zinc/17/25/60/169172560.db2.gz VJXKVDLXKYYYBX-UHFFFAOYSA-N 1 0 147.221 1.891 50 0 ADAARO [NH3+]C1CC2(C1)CC(F)(F)C2 71373323 169172581 /nfs/dbraw/zinc/17/25/81/169172581.db2.gz KNHIUDDGPFPSFP-UHFFFAOYSA-N 1 0 147.168 1.523 50 0 in-vitro ADAARO [NH3+]C1CC2(CCC2)C1 66054791 169172599 /nfs/dbraw/zinc/17/25/99/169172599.db2.gz LGPCTMRNPRKHPR-UHFFFAOYSA-N 1 0 111.188 1.278 50 0 in-vitro ADAARO [NH3+]C1CCC(OCC(F)(F)F)CC1 20286049 169172740 /nfs/dbraw/zinc/17/27/40/169172740.db2.gz DGPHYMXDTCVORL-UHFFFAOYSA-N 1 0 197.200 1.835 50 0 ADAARO [NH3+]C1CC(COCc2ccccc2)C1 95829937 169172745 /nfs/dbraw/zinc/17/27/45/169172745.db2.gz RQAVITWHCIZOQW-UHFFFAOYSA-N 1 0 191.274 1.941 50 0 ADAARO [NH3+]C1CC(C(F)(F)F)C1 57219010 169172748 /nfs/dbraw/zinc/17/27/48/169172748.db2.gz MJHSTECNTRJFSB-UHFFFAOYSA-N 1 0 139.120 1.286 50 0 in-vitro ADAARO [NH3+]C1CCC(F)CC1 66351528 169172762 /nfs/dbraw/zinc/17/27/62/169172762.db2.gz VHTWEUCMRHPAAN-UHFFFAOYSA-N 1 0 117.167 1.226 50 0 ADAARO [NH3+]C1CCC(F)(F)CC1 12359096 169172801 /nfs/dbraw/zinc/17/28/01/169172801.db2.gz MQOFXVWAFFJFJH-UHFFFAOYSA-N 1 0 135.157 1.523 50 0 in-vitro ADAARO [NH3+]C1CCC(O)(c2ccccc2)CC1 33755326 169172815 /nfs/dbraw/zinc/17/28/15/169172815.db2.gz IUECPDWEFSCXJG-UHFFFAOYSA-N 1 0 191.274 1.776 50 0 in-vitro ADAARO [NH3+]C1CC(Cc2ccccc2)C1 91692117 169172893 /nfs/dbraw/zinc/17/28/93/169172893.db2.gz MUEQYQYEFFZRTO-UHFFFAOYSA-N 1 0 161.248 1.966 50 0 in-vitro ADAARO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2 85398808 169173224 /nfs/dbraw/zinc/17/32/24/169173224.db2.gz AOCFIANMCTVRCR-JVHMLUBASA-N 1 0 139.242 1.914 50 0 in-vitro ADAARO [NH3+]C1C[C@H]2CC[C@@H](C1)C2 39594861 169173352 /nfs/dbraw/zinc/17/33/52/169173352.db2.gz IWYGEIZENRQYSA-DHBOJHSNSA-N 1 0 125.215 1.524 50 0 in-vitro ADAARO [NH3+]C1[C@@H](C(F)(F)F)[C@@H]1C(F)(F)F 47845091 169173381 /nfs/dbraw/zinc/17/33/81/169173381.db2.gz XHURJIIQBRIVGW-LWMBPPNESA-N 1 0 193.090 1.684 50 0 ADAARO [NH3+]C1Cc2ccccc2C1 1680937 169173392 /nfs/dbraw/zinc/17/33/92/169173392.db2.gz LMHHFZAXSANGGM-UHFFFAOYSA-N 1 0 133.194 1.113 50 0 in-vitro ADAARO [NH3+]C1CCC(c2ncno2)CC1 40454100 169173501 /nfs/dbraw/zinc/17/35/01/169173501.db2.gz KDCVAJDCQDCSPQ-UHFFFAOYSA-N 1 0 167.212 1.055 50 0 in-vitro ADAARO [NH3+]C1[C@H](C(F)(F)F)[C@H]1C(F)(F)F 47845093 169173510 /nfs/dbraw/zinc/17/35/10/169173510.db2.gz XHURJIIQBRIVGW-JCYAYHJZSA-N 1 0 193.090 1.684 50 0 ADAARO [NH3+]C1C[C@H]2CCC[C@@H]2C1 76571294 169173527 /nfs/dbraw/zinc/17/35/27/169173527.db2.gz IVXVPIOWIKLBGN-RNFRBKRXSA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+]C1CCN(Cc2ccncc2)CC1 15635575 169173617 /nfs/dbraw/zinc/17/36/17/169173617.db2.gz XFBCPLXWYFVCTB-UHFFFAOYSA-N 1 0 191.278 1.005 50 0 in-vitro ADAARO [NH3+]C1CCN(Cc2cscn2)CC1 36754064 169173746 /nfs/dbraw/zinc/17/37/46/169173746.db2.gz ZPKPHJNCLOOIBD-UHFFFAOYSA-N 1 0 197.307 1.066 50 0 in-vitro ADAARO [NH3+]C1C[C@@H]2CCC[C@H]2C1 76571290 169173816 /nfs/dbraw/zinc/17/38/16/169173816.db2.gz IVXVPIOWIKLBGN-BQBZGAKWSA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+]CC1(c2ccc(Cl)cc2)COC1 75124360 169178028 /nfs/dbraw/zinc/17/80/28/169178028.db2.gz QELDBUQHLAHJTE-UHFFFAOYSA-N 1 0 197.665 1.567 50 0 ADAARO [NH3+]CC1(c2ccc(F)cn2)CC1 98214146 169178070 /nfs/dbraw/zinc/17/80/70/169178070.db2.gz HDTSFVPXCMCOQJ-UHFFFAOYSA-N 1 0 166.199 1.211 50 0 ADAARO [NH3+]CC1(F)CCCC1 84302828 169178088 /nfs/dbraw/zinc/17/80/88/169178088.db2.gz HHQVFFOIAFPUOK-UHFFFAOYSA-N 1 0 117.167 1.227 50 0 ADAARO [NH3+]CC1Cc2ccccc2C1 2599350 169178213 /nfs/dbraw/zinc/17/82/13/169178213.db2.gz COWVOJUAZGKGRQ-UHFFFAOYSA-N 1 0 147.221 1.360 50 0 in-vitro ADAARO [NH3+]CC1=CCCC1 39255777 169178226 /nfs/dbraw/zinc/17/82/26/169178226.db2.gz KETWSVNAKWAOJM-UHFFFAOYSA-N 1 0 97.161 1.055 50 0 ADAARO [NH3+]CCC1CCCC1 2522707 169178454 /nfs/dbraw/zinc/17/84/54/169178454.db2.gz UKPLRVAKKXWITN-UHFFFAOYSA-N 1 0 113.204 1.525 50 0 in-vitro ADAARO [NH3+]CCC1CCC1 44371600 169178667 /nfs/dbraw/zinc/17/86/67/169178667.db2.gz MGAPESYORZVKQD-UHFFFAOYSA-N 1 0 99.177 1.135 50 0 in-vitro ADAARO [NH3+]CCC(=O)OC1CCCCC1 40410814 169178672 /nfs/dbraw/zinc/17/86/72/169178672.db2.gz WAEDWCUJAIOGCS-UHFFFAOYSA-N 1 0 171.240 1.211 50 0 in-vitro ADAARO [NH3+]CCC1(C(F)(F)F)CC1 82407496 169178770 /nfs/dbraw/zinc/17/87/70/169178770.db2.gz PNHPXCYHILVRKV-UHFFFAOYSA-N 1 0 153.147 1.678 50 0 in-vitro ADAARO [NH3+]CCC(=O)Nc1ccccc1Cl 11755168 169178786 /nfs/dbraw/zinc/17/87/86/169178786.db2.gz XQLGIVXEZLIFRK-UHFFFAOYSA-N 1 0 198.653 1.627 50 0 ADAARO [NH3+]CCC(=O)Nc1ccc(F)cc1 8732985 169178867 /nfs/dbraw/zinc/17/88/67/169178867.db2.gz FQNWWWPTOXJNJM-UHFFFAOYSA-N 1 0 182.198 1.113 50 0 in-vitro ADAARO [NH3+]CCC(=O)Nc1cccc(Cl)c1 11755169 169178880 /nfs/dbraw/zinc/17/88/80/169178880.db2.gz GCQKLGHWUZPYLI-UHFFFAOYSA-N 1 0 198.653 1.627 50 0 ADAARO [NH3+]CCC1CCC2(CC1)OCCO2 72482124 169178900 /nfs/dbraw/zinc/17/89/00/169178900.db2.gz SSPKQTFXNGPRNV-UHFFFAOYSA-N 1 0 185.267 1.269 50 0 in-vitro ADAARO [NH3+]CCC(F)(F)Br 2560309 169179010 /nfs/dbraw/zinc/17/90/10/169179010.db2.gz LTBZTJKJSRHMLW-UHFFFAOYSA-N 1 0 173.988 1.323 50 0 ADAARO [NH3+]CCC1Cc2ccccc2C1 43559446 169179055 /nfs/dbraw/zinc/17/90/55/169179055.db2.gz NZTAAFFEAQTQAE-UHFFFAOYSA-N 1 0 161.248 1.750 50 0 in-vitro ADAARO [NH3+]CCC1CCCCC1 895706 169179151 /nfs/dbraw/zinc/17/91/51/169179151.db2.gz HFACYWDPMNWMIW-UHFFFAOYSA-N 1 0 127.231 1.916 50 0 in-vitro ADAARO [NH3+]CCC(=O)Nc1cccc(F)c1 8732977 169179331 /nfs/dbraw/zinc/17/93/31/169179331.db2.gz UYFNMFRFAYNSDO-UHFFFAOYSA-N 1 0 182.198 1.113 50 0 ADAARO [NH3+]CCC(=O)c1ccccc1 337836 169179417 /nfs/dbraw/zinc/17/94/17/169179417.db2.gz HGZXQCCQZLSOPP-UHFFFAOYSA-N 1 0 149.193 1.218 50 0 ADAARO [NH3+]CCC(=O)OCc1ccccc1 4899484 169179434 /nfs/dbraw/zinc/17/94/34/169179434.db2.gz CANCPUBPPUIWPX-UHFFFAOYSA-N 1 0 179.219 1.079 50 0 in-vitro ADAARO [NH3+]CCC1(O)CCCCCC1 82405876 169179469 /nfs/dbraw/zinc/17/94/69/169179469.db2.gz NNJGMUPZEXDYDP-UHFFFAOYSA-N 1 0 157.257 1.421 50 0 in-vitro ADAARO [NH3+]CCC1CCSCC1 82409006 169179542 /nfs/dbraw/zinc/17/95/42/169179542.db2.gz UCNCEWRKAYFRPO-UHFFFAOYSA-N 1 0 145.271 1.478 50 0 ADAARO [NH3+]CCC1(O)C2CC3CC(C2)CC1C3 6677924 169179589 /nfs/dbraw/zinc/17/95/89/169179589.db2.gz HZNJWWIJIHTEAS-UHFFFAOYSA-N 1 0 195.306 1.522 50 0 ADAARO [NH3+]CCC1CC(F)(F)C1 97439043 169179641 /nfs/dbraw/zinc/17/96/41/169179641.db2.gz QMARHLUHBNUGCS-UHFFFAOYSA-N 1 0 135.157 1.381 50 0 in-vitro ADAARO [NH3+]CCC1=CCCC1 75518215 169179658 /nfs/dbraw/zinc/17/96/58/169179658.db2.gz QPPWXASYHVFAQA-UHFFFAOYSA-N 1 0 111.188 1.446 50 0 in-vitro ADAARO [NH3+]CCC(=O)Nc1ccc(Cl)cc1 11755170 169179665 /nfs/dbraw/zinc/17/96/65/169179665.db2.gz GZCAYYFTJMKIAF-UHFFFAOYSA-N 1 0 198.653 1.627 50 0 ADAARO [NH3+]CCC1=CCCCC1 4261977 169179675 /nfs/dbraw/zinc/17/96/75/169179675.db2.gz IUDMXOOVKMKODN-UHFFFAOYSA-N 1 0 125.215 1.836 50 0 in-vitro ADAARO [NH3+]CCC(=O)Nc1ccccc1F 11755167 169179751 /nfs/dbraw/zinc/17/97/51/169179751.db2.gz NDWYXCLVLZKALJ-UHFFFAOYSA-N 1 0 182.198 1.113 50 0 ADAARO [NH3+]CCC1(O)CCCCC1 22688059 169179755 /nfs/dbraw/zinc/17/97/55/169179755.db2.gz HNRPKAVJEIUVQK-UHFFFAOYSA-N 1 0 143.230 1.030 50 0 ADAARO [NH3+]CCCC(F)(F)F 5112986 169180119 /nfs/dbraw/zinc/18/01/19/169180119.db2.gz LAXWLCVPJLBABV-UHFFFAOYSA-N 1 0 127.109 1.288 50 0 in-vitro ADAARO [NH3+]CCCC(=O)c1cccnc1 2576356 169180129 /nfs/dbraw/zinc/18/01/29/169180129.db2.gz HFMNHVQBLYDLAJ-UHFFFAOYSA-N 1 0 164.208 1.003 50 0 in-vitro ADAARO [NH3+]CCCCCC(=O)c1cccnc1 12404582 169180229 /nfs/dbraw/zinc/18/02/29/169180229.db2.gz GBCCMQJVGDHVBY-UHFFFAOYSA-N 1 0 192.262 1.783 50 0 in-vitro ADAARO [NH3+]CCCC(F)(F)C(F)(F)F 95094032 169180397 /nfs/dbraw/zinc/18/03/97/169180397.db2.gz JSBMWKBTHSCOLE-UHFFFAOYSA-N 1 0 177.116 1.923 50 0 ADAARO [NH3+]CCCC(=O)OC1CCCCC1 2573216 169180405 /nfs/dbraw/zinc/18/04/05/169180405.db2.gz PEQLQGVTFQFGCA-UHFFFAOYSA-N 1 0 185.267 1.601 50 0 ADAARO [NH3+]CCCC(=O)OC1CCCC1 48632246 169180431 /nfs/dbraw/zinc/18/04/31/169180431.db2.gz JLIGNTKRVAHUHG-UHFFFAOYSA-N 1 0 171.240 1.211 50 0 ADAARO [NH3+]CCCCCc1ccco1 1742322 169180585 /nfs/dbraw/zinc/18/05/85/169180585.db2.gz UPKWXHKEVDTUAS-UHFFFAOYSA-N 1 0 153.225 1.951 50 0 ADAARO [NH3+]CCCC(=O)OCc1ccccc1 1828081 169180810 /nfs/dbraw/zinc/18/08/10/169180810.db2.gz XBOKVZLSXVZKLI-UHFFFAOYSA-N 1 0 193.246 1.469 50 0 ADAARO [NH3+]CCCCC(F)(F)F 34412212 169180942 /nfs/dbraw/zinc/18/09/42/169180942.db2.gz YXJKYHJIINJMFM-UHFFFAOYSA-N 1 0 141.136 1.678 50 0 in-vitro ADAARO [NH3+]CCCCC(=O)Nc1ccncc1 3163660 169180978 /nfs/dbraw/zinc/18/09/78/169180978.db2.gz YVSICPISSDZLQE-UHFFFAOYSA-N 1 0 193.250 1.149 50 0 ADAARO [NH3+]CCCC1CC1 40442801 169180989 /nfs/dbraw/zinc/18/09/89/169180989.db2.gz FESRYVBBESMTNR-UHFFFAOYSA-N 1 0 99.177 1.135 50 0 in-vitro ADAARO [NH3+]CCCCCF 1846027 169180996 /nfs/dbraw/zinc/18/09/96/169180996.db2.gz KOLZZKRWBHRCBJ-UHFFFAOYSA-N 1 0 105.156 1.085 50 0 ADAARO [NH3+]CCCC1CCC1 82828850 169181050 /nfs/dbraw/zinc/18/10/50/169181050.db2.gz SGNOPBAHANXEKY-UHFFFAOYSA-N 1 0 113.204 1.525 50 0 in-vitro ADAARO [NH3+]CCCCCn1ccnc1 4226763 169181071 /nfs/dbraw/zinc/18/10/71/169181071.db2.gz JDBFAMNSPLNCHO-UHFFFAOYSA-N 1 0 153.229 1.012 50 0 in-vitro ADAARO [NH3+]CCCCCCn1ccnc1 4226785 169181094 /nfs/dbraw/zinc/18/10/94/169181094.db2.gz OBLYTDCWEDKEKG-UHFFFAOYSA-N 1 0 167.256 1.402 50 0 ADAARO [NH3+]CCCCCc1c[nH]cn1 1540629 169181339 /nfs/dbraw/zinc/18/13/39/169181339.db2.gz MZCJWLAXZRFUPI-UHFFFAOYSA-N 1 0 153.229 1.081 50 0 in-vitro ADAARO [NH3+]CCCC1CCCC1 19089804 169181430 /nfs/dbraw/zinc/18/14/30/169181430.db2.gz NJSZQKRASZHMDA-UHFFFAOYSA-N 1 0 127.231 1.916 50 0 in-vitro ADAARO [NH3+]CCCC1CCOCC1 35322918 169181506 /nfs/dbraw/zinc/18/15/06/169181506.db2.gz VIOABCQDSSRYIA-UHFFFAOYSA-N 1 0 143.230 1.152 50 0 in-vitro ADAARO [NH3+]CCCCCC(=O)c1ccncc1 6658292 169181509 /nfs/dbraw/zinc/18/15/09/169181509.db2.gz HMXYSNVOEGRWAC-UHFFFAOYSA-N 1 0 192.262 1.783 50 0 in-vitro ADAARO [NH3+]CCCCCCCCO 34768649 169181520 /nfs/dbraw/zinc/18/15/20/169181520.db2.gz WDCOJSGXSPGNFK-UHFFFAOYSA-N 1 0 145.246 1.278 50 0 in-vitro ADAARO [NH3+]CCCC(=O)Nc1ccccc1 11755346 169181577 /nfs/dbraw/zinc/18/15/77/169181577.db2.gz NEQLHGVVCYJTQN-UHFFFAOYSA-N 1 0 178.235 1.364 50 0 in-vitro ADAARO [NH3+]CCCC[C@H]1CCCO1 19090881 169181857 /nfs/dbraw/zinc/18/18/57/169181857.db2.gz WZXMXJLBCUNKJB-QMMMGPOBSA-N 1 0 143.230 1.294 50 0 ADAARO [NH3+]CCCCOCc1ccccc1 19280649 169182022 /nfs/dbraw/zinc/18/20/22/169182022.db2.gz TZHOKOVQYMRTEI-UHFFFAOYSA-N 1 0 179.263 1.942 50 0 in-vitro ADAARO [NH3+]CCCCOCCc1ccccc1 20508942 169182046 /nfs/dbraw/zinc/18/20/46/169182046.db2.gz VQYYBGSIIGMPPJ-UHFFFAOYSA-N 1 0 193.290 1.985 50 0 in-vitro ADAARO [NH3+]CCCC[C@@H]1CCCO1 19090879 169182140 /nfs/dbraw/zinc/18/21/40/169182140.db2.gz WZXMXJLBCUNKJB-MRVPVSSYSA-N 1 0 143.230 1.294 50 0 ADAARO [NH3+]CCCCc1ccccc1 2567989 169182174 /nfs/dbraw/zinc/18/21/74/169182174.db2.gz AGNFWIZBEATIAK-UHFFFAOYSA-N 1 0 149.237 1.968 50 0 in-vivo ADAARO [NH3+]CCCCc1ccncc1 11570842 169182217 /nfs/dbraw/zinc/18/22/17/169182217.db2.gz RKWNXDUZHXYGLN-UHFFFAOYSA-N 1 0 150.225 1.363 50 0 ADAARO [NH3+]CCCCOCC(F)(F)F 19274674 169182261 /nfs/dbraw/zinc/18/22/61/169182261.db2.gz IYZCCBQUCASCRV-UHFFFAOYSA-N 1 0 171.162 1.304 50 0 in-vitro ADAARO [NH3+]CCCCOc1cccnc1 35727434 169182306 /nfs/dbraw/zinc/18/23/06/169182306.db2.gz OLIHZSQCXSREQD-UHFFFAOYSA-N 1 0 166.224 1.199 50 0 ADAARO [NH3+]CCCCc1nc2ccccc2[nH]1 5023219 169182495 /nfs/dbraw/zinc/18/24/95/169182495.db2.gz GFIQENBZTGDRFF-UHFFFAOYSA-N 1 0 189.262 1.844 50 0 in-vitro ADAARO [NH3+]CCCCc1nccs1 11887660 169182508 /nfs/dbraw/zinc/18/25/08/169182508.db2.gz SYQVPTTZKGJDGY-UHFFFAOYSA-N 1 0 156.254 1.425 50 0 in-vitro ADAARO [NH3+]CCCCc1cccnc1 1996009 169182520 /nfs/dbraw/zinc/18/25/20/169182520.db2.gz WSPOELFRDPKVAZ-UHFFFAOYSA-N 1 0 150.225 1.363 50 0 ADAARO [NH3+]CCCCNOCc1ccccc1 238561284 169182538 /nfs/dbraw/zinc/18/25/38/169182538.db2.gz VEGOOVMQKQHART-UHFFFAOYSA-N 1 0 194.278 1.447 50 0 ADAARO [NH3+]CCCCOc1ccc(F)cc1 4218838 169182603 /nfs/dbraw/zinc/18/26/03/169182603.db2.gz QSHUIHTYAZHNNK-UHFFFAOYSA-N 1 0 183.226 1.943 50 0 ADAARO [NH3+]CCCCc1ccccn1 11570841 169182691 /nfs/dbraw/zinc/18/26/91/169182691.db2.gz STIOUOHCWDHSJY-UHFFFAOYSA-N 1 0 150.225 1.363 50 0 in-vitro ADAARO [NH3+]CCCN(C(=O)C1CCC1)C1CC1 34960138 169182943 /nfs/dbraw/zinc/18/29/43/169182943.db2.gz RZXPJKLXTSTIQY-UHFFFAOYSA-N 1 0 196.294 1.126 50 0 in-vitro ADAARO [NH3+]CCCCOc1ccccc1 1718790 169183006 /nfs/dbraw/zinc/18/30/06/169183006.db2.gz XUOBVRURUPUPHB-UHFFFAOYSA-N 1 0 165.236 1.804 50 0 in-vitro ADAARO [NH3+]CCCCNc1ccccn1 32501118 169183028 /nfs/dbraw/zinc/18/30/28/169183028.db2.gz RAJSAPSERUGCBT-UHFFFAOYSA-N 1 0 165.240 1.232 50 0 in-vitro ADAARO [NH3+]CCCNc1ccc(F)cc1 20232086 169183190 /nfs/dbraw/zinc/18/31/90/169183190.db2.gz QWOMWKRCVFRAGA-UHFFFAOYSA-N 1 0 168.215 1.586 50 0 in-vitro ADAARO [NH3+]CCCNCc1ccccc1Cl 3852006 169183213 /nfs/dbraw/zinc/18/32/13/169183213.db2.gz JZOYFMYXSKQFAR-UHFFFAOYSA-N 1 0 198.697 1.778 50 0 ADAARO [NH3+]CCCNC(=O)Nc1ccccc1 1598875 169183229 /nfs/dbraw/zinc/18/32/29/169183229.db2.gz CBYQZENFYCTUIA-UHFFFAOYSA-N 1 0 193.250 1.157 50 0 in-vitro ADAARO [NH3+]CCCN1Cc2ccccc2C1 4992585 169183404 /nfs/dbraw/zinc/18/34/04/169183404.db2.gz GZYPBRJGFKDLLK-UHFFFAOYSA-N 1 0 176.263 1.351 50 0 ADAARO [NH3+]CCCNc1ccccc1F 20232078 169183516 /nfs/dbraw/zinc/18/35/16/169183516.db2.gz ALNRNQZBLBBDPF-UHFFFAOYSA-N 1 0 168.215 1.586 50 0 in-vitro ADAARO [NH3+]CCCOCc1ccccc1 4218301 169183519 /nfs/dbraw/zinc/18/35/19/169183519.db2.gz QFHLJYPKYWISHS-UHFFFAOYSA-N 1 0 165.236 1.552 50 0 in-vitro ADAARO [NH3+]CCCN1CCc2ccccc21 6718984 169183709 /nfs/dbraw/zinc/18/37/09/169183709.db2.gz NRUUORGEWIRLJT-UHFFFAOYSA-N 1 0 176.263 1.398 50 0 in-vitro ADAARO [NH3+]CCCNc1ccccc1 1746175 169183777 /nfs/dbraw/zinc/18/37/77/169183777.db2.gz DOSWHECVUKBMCG-UHFFFAOYSA-N 1 0 150.225 1.447 50 0 ADAARO [NH3+]CCCNc1cccc(F)c1 20232082 169183829 /nfs/dbraw/zinc/18/38/29/169183829.db2.gz UBSARERNSRQVNM-UHFFFAOYSA-N 1 0 168.215 1.586 50 0 in-vitro ADAARO [NH3+]CCCOCc1ccco1 4218209 169184055 /nfs/dbraw/zinc/18/40/55/169184055.db2.gz XIXUSXFSSJKRQZ-UHFFFAOYSA-N 1 0 155.197 1.145 50 0 ADAARO [NH3+]CCCNCc1ccccc1F 37713383 169184139 /nfs/dbraw/zinc/18/41/39/169184139.db2.gz KHMBJNWMTRWPIH-UHFFFAOYSA-N 1 0 182.242 1.264 50 0 ADAARO [NH3+]CCCOCCc1ccccc1 20369264 169184157 /nfs/dbraw/zinc/18/41/57/169184157.db2.gz ONEOQRJTHAYVJL-UHFFFAOYSA-N 1 0 179.263 1.595 50 0 in-vitro ADAARO [NH3+]CCCOC1CCCCC1 6550125 169184185 /nfs/dbraw/zinc/18/41/85/169184185.db2.gz ZRXXYJYSVHQULF-UHFFFAOYSA-N 1 0 157.257 1.685 50 0 in-vitro ADAARO [NH3+]CCCOC1CCCC1 19092576 169184281 /nfs/dbraw/zinc/18/42/81/169184281.db2.gz FWQQFSANSSOLKN-UHFFFAOYSA-N 1 0 143.230 1.294 50 0 in-vitro ADAARO [NH3+]CCCSCC(F)(F)F 85316158 169184488 /nfs/dbraw/zinc/18/44/88/169184488.db2.gz DUKOQUFOFIQWAM-UHFFFAOYSA-N 1 0 173.203 1.631 50 0 in-vitro ADAARO [NH3+]CCCSc1ccccn1 19811124 169184600 /nfs/dbraw/zinc/18/46/00/169184600.db2.gz WNTVLLYPKJLUMF-UHFFFAOYSA-N 1 0 168.265 1.523 50 0 in-vitro ADAARO [NH3+]CCCOc1ccccc1 1654079 169184724 /nfs/dbraw/zinc/18/47/24/169184724.db2.gz DXVQSHRBALIFBC-UHFFFAOYSA-N 1 0 151.209 1.414 50 0 in-vitro ADAARO [NH3+]CCCOc1cccc(F)c1 19259398 169184741 /nfs/dbraw/zinc/18/47/41/169184741.db2.gz SGTGOMOPUIFZSE-UHFFFAOYSA-N 1 0 169.199 1.553 50 0 in-vitro ADAARO [NH3+]CCCSC(F)(F)F 85316184 169184756 /nfs/dbraw/zinc/18/47/56/169184756.db2.gz IBZNCAXUSLMFJD-UHFFFAOYSA-N 1 0 159.176 1.588 50 0 ADAARO [NH3+]CCCOc1ccc(F)cc1 11569591 169184769 /nfs/dbraw/zinc/18/47/69/169184769.db2.gz ZIBPUVKKZJRDHB-UHFFFAOYSA-N 1 0 169.199 1.553 50 0 in-vitro ADAARO [NH3+]CCC[C@H]1CC1(Cl)Cl 334163843 169184828 /nfs/dbraw/zinc/18/48/28/169184828.db2.gz MVFBASJLEUSPIM-YFKPBYRVSA-N 1 0 168.067 1.919 50 0 ADAARO [NH3+]CCC[C@H](O)c1ccc(F)cc1 19674880 169184856 /nfs/dbraw/zinc/18/48/56/169184856.db2.gz KBFHCMLODVPGDI-JTQLQIEISA-N 1 0 183.226 1.598 50 0 ADAARO [NH3+]CCCSCc1ccco1 19094290 169184906 /nfs/dbraw/zinc/18/49/06/169184906.db2.gz ALOAPIAAKWFTJT-UHFFFAOYSA-N 1 0 171.265 1.862 50 0 in-vitro ADAARO [NH3+]CCC[C@@H]1CCCC[C@@H]1O 76592448 169184932 /nfs/dbraw/zinc/18/49/32/169184932.db2.gz BJYNTHACALEJGC-IUCAKERBSA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO [NH3+]CCC[C@@H]1CC1(Cl)Cl 334163842 169184945 /nfs/dbraw/zinc/18/49/45/169184945.db2.gz MVFBASJLEUSPIM-RXMQYKEDSA-N 1 0 168.067 1.919 50 0 ADAARO [NH3+]CCC[C@@H]1CCCC[C@H]1O 76592452 169184966 /nfs/dbraw/zinc/18/49/66/169184966.db2.gz BJYNTHACALEJGC-DTWKUNHWSA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO [NH3+]CCCOc1ccccc1F 4218897 169185108 /nfs/dbraw/zinc/18/51/08/169185108.db2.gz XYQHFXOXCODNSC-UHFFFAOYSA-N 1 0 169.199 1.553 50 0 in-vitro ADAARO [NH3+]CCC[C@@H](O)c1ccc(F)cc1 19674878 169185150 /nfs/dbraw/zinc/18/51/50/169185150.db2.gz KBFHCMLODVPGDI-SNVBAGLBSA-N 1 0 183.226 1.598 50 0 ADAARO [NH3+]CCCc1c[nH]c2ncccc12 82399006 169185164 /nfs/dbraw/zinc/18/51/64/169185164.db2.gz QDQHACFAOCYMGL-UHFFFAOYSA-N 1 0 175.235 1.454 50 0 ADAARO [NH3+]CCCOc1cc(F)cc(F)c1 54932540 169185195 /nfs/dbraw/zinc/18/51/95/169185195.db2.gz QSHZGLVOSCELRW-UHFFFAOYSA-N 1 0 187.189 1.692 50 0 ADAARO [NH3+]CCC[C@@H]1CCCCO1 68991628 169185213 /nfs/dbraw/zinc/18/52/13/169185213.db2.gz CHMJVANSKLOUEH-QMMMGPOBSA-N 1 0 143.230 1.294 50 0 in-vitro ADAARO [NH3+]CCC[C@H]1CCCC[C@@H]1O 76592455 169185219 /nfs/dbraw/zinc/18/52/19/169185219.db2.gz BJYNTHACALEJGC-BDAKNGLRSA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO [NH3+]CCC[C@H]1CCCCO1 68991630 169185326 /nfs/dbraw/zinc/18/53/26/169185326.db2.gz CHMJVANSKLOUEH-MRVPVSSYSA-N 1 0 143.230 1.294 50 0 in-vitro ADAARO [NH3+]CCCc1c(F)cccc1F 43559354 169185341 /nfs/dbraw/zinc/18/53/41/169185341.db2.gz MEORPDCIWSZWLU-UHFFFAOYSA-N 1 0 171.190 1.856 50 0 ADAARO [NH3+]CCC[C@H]1CCCC[C@H]1O 76592457 169185353 /nfs/dbraw/zinc/18/53/53/169185353.db2.gz BJYNTHACALEJGC-RKDXNWHRSA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO [NH3+]CCCOc1ccc(F)c(F)c1 36749888 169185421 /nfs/dbraw/zinc/18/54/21/169185421.db2.gz AWYGOLUQNKJPPU-UHFFFAOYSA-N 1 0 187.189 1.692 50 0 ADAARO [NH3+]CCCc1nc2cc(F)ccc2[nH]1 6677251 169185554 /nfs/dbraw/zinc/18/55/54/169185554.db2.gz ARDAZMOGCHSNBB-UHFFFAOYSA-N 1 0 193.225 1.593 50 0 in-vitro ADAARO [NH3+]CCCc1ccc(F)cc1 4992617 169185558 /nfs/dbraw/zinc/18/55/58/169185558.db2.gz IIFDQESZTDBKEM-UHFFFAOYSA-N 1 0 153.200 1.717 50 0 ADAARO [NH3+]CCCc1cc(F)cc(F)c1 34214326 169185654 /nfs/dbraw/zinc/18/56/54/169185654.db2.gz RZUIWLNDDJBKKL-UHFFFAOYSA-N 1 0 171.190 1.856 50 0 in-vitro ADAARO [NH3+]CCCc1ccc2c(c1)OCO2 1676576 169185678 /nfs/dbraw/zinc/18/56/78/169185678.db2.gz CLJLCLGOWKOKJF-UHFFFAOYSA-N 1 0 179.219 1.307 50 0 in-vitro ADAARO [NH3+]CCCc1ccc(F)cc1F 36203760 169185680 /nfs/dbraw/zinc/18/56/80/169185680.db2.gz VOHPFPWETYHJEM-UHFFFAOYSA-N 1 0 171.190 1.856 50 0 ADAARO [NH3+]CCCc1nc(C2CCCC2)no1 37756510 169185730 /nfs/dbraw/zinc/18/57/30/169185730.db2.gz WAMDWCMVWWMKTD-UHFFFAOYSA-N 1 0 195.266 1.619 50 0 ADAARO [NH3+]CCCc1cn2ccccc2n1 19765397 169185745 /nfs/dbraw/zinc/18/57/45/169185745.db2.gz COJSGXJUUFCTIG-UHFFFAOYSA-N 1 0 175.235 1.226 50 0 ADAARO [NH3+]CCCc1nc2ccccc2[nH]1 2025639 169185779 /nfs/dbraw/zinc/18/57/79/169185779.db2.gz FQJGVSXDQPGNMO-UHFFFAOYSA-N 1 0 175.235 1.454 50 0 in-vitro ADAARO [NH3+]CCCc1ccc2c(c1)OCCO2 11596896 169185799 /nfs/dbraw/zinc/18/57/99/169185799.db2.gz UINPXLMOINWQDH-UHFFFAOYSA-N 1 0 193.246 1.349 50 0 in-vitro ADAARO [NH3+]CCCc1ccccc1F 9245906 169185803 /nfs/dbraw/zinc/18/58/03/169185803.db2.gz RTVQQTKPOFRHHL-UHFFFAOYSA-N 1 0 153.200 1.717 50 0 in-vitro ADAARO [NH3+]CCCc1ccc2c(n1)NCCC2 2527506 169185806 /nfs/dbraw/zinc/18/58/06/169185806.db2.gz BWMYVZPZPGAOPC-UHFFFAOYSA-N 1 0 191.278 1.331 50 0 ADAARO [NH3+]CCCc1nc2c(s1)CCCC2 11632098 169185851 /nfs/dbraw/zinc/18/58/51/169185851.db2.gz BUVOSWYNESTLTE-UHFFFAOYSA-N 1 0 196.319 1.913 50 0 in-vitro ADAARO [NH3+]CCCc1ccc(F)c(F)c1 36203764 169185930 /nfs/dbraw/zinc/18/59/30/169185930.db2.gz RBTIRWQSMUPRAH-UHFFFAOYSA-N 1 0 171.190 1.856 50 0 ADAARO [NH3+]CCCc1nc2cc(O)ccc2[nH]1 6445996 169185952 /nfs/dbraw/zinc/18/59/52/169185952.db2.gz QSDIETLTSIOGHE-UHFFFAOYSA-N 1 0 191.234 1.160 50 0 ADAARO [NH3+]CCCc1nc(-c2ccco2)no1 20268705 169185967 /nfs/dbraw/zinc/18/59/67/169185967.db2.gz AIWAASAFRZOKKM-UHFFFAOYSA-N 1 0 193.206 1.221 50 0 ADAARO [NH3+]CCCc1nc2ccccc2o1 26515940 169186086 /nfs/dbraw/zinc/18/60/86/169186086.db2.gz VKBKDDXNZLOROC-UHFFFAOYSA-N 1 0 176.219 1.719 50 0 in-vitro ADAARO [NH3+]CCCc1ccco1 3882734 169186110 /nfs/dbraw/zinc/18/61/10/169186110.db2.gz BMBNEIGPGNXTRH-UHFFFAOYSA-N 1 0 125.171 1.171 50 0 in-vitro ADAARO [NH3+]CCCc1cccc(O)c1 19779428 169186174 /nfs/dbraw/zinc/18/61/74/169186174.db2.gz QLRBBFCAMQQYSG-UHFFFAOYSA-N 1 0 151.209 1.284 50 0 in-vitro ADAARO [NH3+]CCCc1cccs1 1593004 169186178 /nfs/dbraw/zinc/18/61/78/169186178.db2.gz CUGBKQGQESIBMN-UHFFFAOYSA-N 1 0 141.239 1.639 50 0 in-vitro ADAARO [NH3+]CCCc1ccc(O)cc1 2570867 169186225 /nfs/dbraw/zinc/18/62/25/169186225.db2.gz AEMHLIHHQUOOGP-UHFFFAOYSA-N 1 0 151.209 1.284 50 0 ADAARO [NH3+]CCCc1ccccc1 1561633 169186260 /nfs/dbraw/zinc/18/62/60/169186260.db2.gz LYUQWQRTDLVQGA-UHFFFAOYSA-N 1 0 135.210 1.578 50 0 in-vivo ADAARO Nc1cccc(CCC[NH3+])c1 58003730 169186322 /nfs/dbraw/zinc/18/63/22/169186322.db2.gz LPCINXWHNYBINL-UHFFFAOYSA-N 1 0 150.225 1.160 50 0 in-vitro ADAARO [NH3+]CCCc1cccc(F)c1 9245905 169186323 /nfs/dbraw/zinc/18/63/23/169186323.db2.gz ADUXAXYDDGXYJJ-UHFFFAOYSA-N 1 0 153.200 1.717 50 0 ADAARO [NH3+]CCCc1nccs1 11632090 169186356 /nfs/dbraw/zinc/18/63/56/169186356.db2.gz FPKQNDZQVDBFLK-UHFFFAOYSA-N 1 0 142.227 1.034 50 0 in-vitro ADAARO [NH3+]CCCn1cnc2ccccc21 6197502 169186625 /nfs/dbraw/zinc/18/66/25/169186625.db2.gz ZPIGBNBDPBKNCO-UHFFFAOYSA-N 1 0 175.235 1.385 50 0 in-vitro ADAARO [NH3+]CCN1CCC[C@H]2CCCC[C@H]21 36826555 169186723 /nfs/dbraw/zinc/18/67/23/169186723.db2.gz KUNDBSJXRYATDX-GHMZBOCLSA-N 1 0 182.311 1.600 50 0 in-vitro ADAARO [NH3+]CCN1CCC[C@H]2CCCC[C@@H]21 36826557 169186993 /nfs/dbraw/zinc/18/69/93/169186993.db2.gz KUNDBSJXRYATDX-MNOVXSKESA-N 1 0 182.311 1.600 50 0 in-vitro ADAARO [NH3+]CCN1CCC[C@@H](C(F)(F)F)C1 37750150 169187007 /nfs/dbraw/zinc/18/70/07/169187007.db2.gz AVHTZJALCJKSLV-SSDOTTSWSA-N 1 0 196.216 1.219 50 0 ADAARO [NH3+]CCN1CCC[C@@H]2CCCC[C@H]21 36826553 169187220 /nfs/dbraw/zinc/18/72/20/169187220.db2.gz KUNDBSJXRYATDX-WDEREUQCSA-N 1 0 182.311 1.600 50 0 in-vitro ADAARO [NH3+]CCCn1ncc2ccccc21 19088836 169187340 /nfs/dbraw/zinc/18/73/40/169187340.db2.gz QGWLKJMMXIXRQU-UHFFFAOYSA-N 1 0 175.235 1.385 50 0 in-vitro ADAARO [NH3+]CCN1CCC(C(F)(F)F)CC1 83878863 169187417 /nfs/dbraw/zinc/18/74/17/169187417.db2.gz SKPIEUHVJNKAET-UHFFFAOYSA-N 1 0 196.216 1.219 50 0 ADAARO [NH3+]CCCn1ccc(C(F)(F)F)n1 2537842 169187603 /nfs/dbraw/zinc/18/76/03/169187603.db2.gz WTBFWCUKDVZZJX-UHFFFAOYSA-N 1 0 193.172 1.251 50 0 ADAARO [NH3+]CCCn1ccc2ccccc21 3394309 169187640 /nfs/dbraw/zinc/18/76/40/169187640.db2.gz WUQNGTJFNCCRKY-UHFFFAOYSA-N 1 0 174.247 1.990 50 0 biogenic ADAARO [NH3+]CCCn1nccc1C1CC1 12357753 169187740 /nfs/dbraw/zinc/18/77/40/169187740.db2.gz XLHPUYCMANUDIG-UHFFFAOYSA-N 1 0 165.240 1.109 50 0 in-vitro ADAARO [NH3+]CCN1CCC[C@@H]2CCCC[C@@H]21 36826554 169187770 /nfs/dbraw/zinc/18/77/70/169187770.db2.gz KUNDBSJXRYATDX-QWRGUYRKSA-N 1 0 182.311 1.600 50 0 in-vitro ADAARO [NH3+]CCNC(=O)c1ccc(Cl)cc1 2555368 169187880 /nfs/dbraw/zinc/18/78/80/169187880.db2.gz AIHKMGLJGLKLSI-UHFFFAOYSA-N 1 0 198.653 1.029 50 0 in-vitro ADAARO [NH3+]CCN1CC[C@@H](c2ccccc2)C1 19735710 169188115 /nfs/dbraw/zinc/18/81/15/169188115.db2.gz JYLXONWPLLPZGN-GFCCVEGCSA-N 1 0 190.290 1.435 50 0 in-vitro ADAARO [NH3+]CCN1CCc2sccc2C1 19516672 169188291 /nfs/dbraw/zinc/18/82/91/169188291.db2.gz ACEUGCSSOOSCHO-UHFFFAOYSA-N 1 0 182.292 1.065 50 0 in-vitro ADAARO [NH3+]CCNC(=O)CC1CCCCC1 20251698 169188493 /nfs/dbraw/zinc/18/84/93/169188493.db2.gz KJMNNPQKALZUCE-UHFFFAOYSA-N 1 0 184.283 1.032 50 0 in-vitro ADAARO [NH3+]CCN1CC[C@H](c2ccccc2)C1 19735711 169188547 /nfs/dbraw/zinc/18/85/47/169188547.db2.gz JYLXONWPLLPZGN-LBPRGKRZSA-N 1 0 190.290 1.435 50 0 in-vitro ADAARO [NH3+]CCN1CC[C@H]2CCCC[C@H]2C1 242687661 169188555 /nfs/dbraw/zinc/18/85/55/169188555.db2.gz UNOSOYOFHHRTED-MNOVXSKESA-N 1 0 182.311 1.457 50 0 ADAARO [NH3+]CCN1CCc2ccccc2C1 19365196 169188700 /nfs/dbraw/zinc/18/87/00/169188700.db2.gz JTEJMGHPAYJBTA-UHFFFAOYSA-N 1 0 176.263 1.003 50 0 in-vitro ADAARO [NH3+]CCN1CCc2ccccc21 6645176 169188856 /nfs/dbraw/zinc/18/88/56/169188856.db2.gz HNLHKBSAQALACU-UHFFFAOYSA-N 1 0 162.236 1.008 50 0 in-vitro ADAARO [NH3+]CCN1CC[C@@H]2CCCC[C@@H]2C1 38790891 169189005 /nfs/dbraw/zinc/18/90/05/169189005.db2.gz UNOSOYOFHHRTED-WDEREUQCSA-N 1 0 182.311 1.457 50 0 ADAARO [NH3+]CCN1CC[C@@H]2CCCC[C@H]2C1 38790893 169189025 /nfs/dbraw/zinc/18/90/25/169189025.db2.gz UNOSOYOFHHRTED-QWRGUYRKSA-N 1 0 182.311 1.457 50 0 ADAARO [NH3+]CCN1CC[C@H]2CCCC[C@@H]2C1 20135873 169189080 /nfs/dbraw/zinc/18/90/80/169189080.db2.gz UNOSOYOFHHRTED-GHMZBOCLSA-N 1 0 182.311 1.457 50 0 ADAARO [NH3+]CCNc1nc2ccccc2s1 12879763 169189343 /nfs/dbraw/zinc/18/93/43/169189343.db2.gz KDAQFKLDHWSEHK-UHFFFAOYSA-N 1 0 193.275 1.667 50 0 in-vitro ADAARO [NH3+]CCNCc1cccc(Cl)c1 32919754 169189648 /nfs/dbraw/zinc/18/96/48/169189648.db2.gz WFDIONAMRSWISW-UHFFFAOYSA-N 1 0 184.670 1.388 50 0 ADAARO [NH3+]CCNc1ccc(Cl)cc1 19737063 169189658 /nfs/dbraw/zinc/18/96/58/169189658.db2.gz FFWHGUZSQPOQRL-UHFFFAOYSA-N 1 0 170.643 1.711 50 0 ADAARO [NH3+]CCNc1ccc(F)c(Cl)c1 20232237 169189721 /nfs/dbraw/zinc/18/97/21/169189721.db2.gz WYKQVNLWVZEVSI-UHFFFAOYSA-N 1 0 188.633 1.850 50 0 ADAARO [NH3+]CCNCc1ccc(Cl)cc1 19732672 169189757 /nfs/dbraw/zinc/18/97/57/169189757.db2.gz NENSJZAMDSIIJW-UHFFFAOYSA-N 1 0 184.670 1.388 50 0 ADAARO [NH3+]CCNC(=O)c1ccccc1Cl 13834257 169189835 /nfs/dbraw/zinc/18/98/35/169189835.db2.gz RUVWGQHNZCDFBC-UHFFFAOYSA-N 1 0 198.653 1.029 50 0 in-vitro ADAARO [NH3+]CCNCc1ccccc1Cl 19369186 169190205 /nfs/dbraw/zinc/19/02/05/169190205.db2.gz WTGFJEQTHKHUID-UHFFFAOYSA-N 1 0 184.670 1.388 50 0 ADAARO NCC[NH2+]C12CC3CC(CC(C3)C1)C2 19366693 169190223 /nfs/dbraw/zinc/19/02/23/169190223.db2.gz IQMUFNISQFPZJC-UHFFFAOYSA-N 1 0 194.322 1.504 50 0 ADAARO [NH3+]CCNc1ccccc1 1736738 169190523 /nfs/dbraw/zinc/19/05/23/169190523.db2.gz OCIDXARMXNJACB-UHFFFAOYSA-N 1 0 136.198 1.057 50 0 ADAARO [NH3+]CCNc1ncnc2ccccc12 1595632 169190886 /nfs/dbraw/zinc/19/08/86/169190886.db2.gz HHIMHGQBYIQLKK-UHFFFAOYSA-N 1 0 188.234 1.000 50 0 in-vitro ADAARO [NH3+]CCNc1cccc(Cl)c1 20232192 169191087 /nfs/dbraw/zinc/19/10/87/169191087.db2.gz XLYRTRQTLBKLLD-UHFFFAOYSA-N 1 0 170.643 1.711 50 0 ADAARO [NH3+]CCNc1ccc2ccccc2n1 3469157 169191112 /nfs/dbraw/zinc/19/11/12/169191112.db2.gz ZETBPZAUNUEYSV-UHFFFAOYSA-N 1 0 187.246 1.605 50 0 in-vitro ADAARO [NH3+]CCNc1ncnc2sccc12 21949045 169191344 /nfs/dbraw/zinc/19/13/44/169191344.db2.gz ILOPDCTYPQCQEK-UHFFFAOYSA-N 1 0 194.263 1.062 50 0 ADAARO [NH3+]CCOc1ccccc1Cl 2581912 169191521 /nfs/dbraw/zinc/19/15/21/169191521.db2.gz NAPNYPMMDVRKGM-UHFFFAOYSA-N 1 0 171.627 1.678 50 0 in-vitro ADAARO [NH3+]CCOCCOc1ccccc1 1672248 169191526 /nfs/dbraw/zinc/19/15/26/169191526.db2.gz NARMGECFWCSGGA-UHFFFAOYSA-N 1 0 181.235 1.041 50 0 in-vitro ADAARO [NH3+]CCOC12CC3CC(CC(C3)C1)C2 2545708 169191538 /nfs/dbraw/zinc/19/15/38/169191538.db2.gz SSMRLTOOLLVHLW-UHFFFAOYSA-N 1 0 195.306 1.931 50 0 in-vitro ADAARO [NH3+]CCOc1ccc(F)cc1F 19254863 169191550 /nfs/dbraw/zinc/19/15/50/169191550.db2.gz FPUDXUQCDMPKKS-UHFFFAOYSA-N 1 0 173.162 1.302 50 0 in-vitro ADAARO [NH3+]CCOC1CCCCC1 22214275 169191587 /nfs/dbraw/zinc/19/15/87/169191587.db2.gz UKLYEIVTROYUCW-UHFFFAOYSA-N 1 0 143.230 1.294 50 0 in-vitro ADAARO [NH3+]CCOc1c(F)cccc1Cl 83341485 169191602 /nfs/dbraw/zinc/19/16/02/169191602.db2.gz BMHPWCVDJMTVAH-UHFFFAOYSA-N 1 0 189.617 1.817 50 0 ADAARO [NH3+]CCOc1ccc(Cl)cc1 4072701 169191624 /nfs/dbraw/zinc/19/16/24/169191624.db2.gz KSHXAAXEJWSEND-UHFFFAOYSA-N 1 0 171.627 1.678 50 0 in-vitro ADAARO [NH3+]CCSCC(F)(F)F 19428237 169191649 /nfs/dbraw/zinc/19/16/49/169191649.db2.gz FEIDZWODBDNLIX-UHFFFAOYSA-N 1 0 159.176 1.241 50 0 in-vitro ADAARO [NH3+]CCSCC1CC1 20160270 169191658 /nfs/dbraw/zinc/19/16/58/169191658.db2.gz ULJGPGFHLWANKI-UHFFFAOYSA-N 1 0 131.244 1.088 50 0 in-vitro ADAARO [NH3+]CCOCc1ccccc1 4287664 169191707 /nfs/dbraw/zinc/19/17/07/169191707.db2.gz XJGVVOAKITWCAB-UHFFFAOYSA-N 1 0 151.209 1.162 50 0 in-vitro ADAARO [NH3+]CCOc1ccc2c(c1)CCC2 9245981 169191709 /nfs/dbraw/zinc/19/17/09/169191709.db2.gz IKJCPSISJAUVTJ-UHFFFAOYSA-N 1 0 177.247 1.513 50 0 in-vitro ADAARO [NH3+]CCOc1ccc(Cl)c(F)c1 83341483 169191723 /nfs/dbraw/zinc/19/17/23/169191723.db2.gz LHQNQQXCELLPDX-UHFFFAOYSA-N 1 0 189.617 1.817 50 0 ADAARO [NH3+]CCOc1cccc2ccoc12 39089969 169191735 /nfs/dbraw/zinc/19/17/35/169191735.db2.gz ZMOJHUFMAVEJKZ-UHFFFAOYSA-N 1 0 177.203 1.770 50 0 ADAARO [NH3+]CCSC1CCCC1 19477153 169191740 /nfs/dbraw/zinc/19/17/40/169191740.db2.gz WUBBSMWTJGXZFI-UHFFFAOYSA-N 1 0 145.271 1.621 50 0 in-vitro ADAARO [NH3+]CCOCc1ccc(Cl)cc1 6241923 169191757 /nfs/dbraw/zinc/19/17/57/169191757.db2.gz PAYJTSGVVHLHRQ-UHFFFAOYSA-N 1 0 185.654 1.815 50 0 in-vitro ADAARO [NH3+]CCOCC1CCCC1 19735441 169191780 /nfs/dbraw/zinc/19/17/80/169191780.db2.gz PUVOKVOMUFLVKJ-UHFFFAOYSA-N 1 0 143.230 1.152 50 0 in-vitro ADAARO [NH3+]CCOc1ccccc1F 2643984 169191842 /nfs/dbraw/zinc/19/18/42/169191842.db2.gz LXOQYJMQPRGSTL-UHFFFAOYSA-N 1 0 155.172 1.163 50 0 in-vitro ADAARO [NH3+]CCOCc1cccc(Cl)c1 26179844 169191868 /nfs/dbraw/zinc/19/18/68/169191868.db2.gz NQTHSUMEJYEEML-UHFFFAOYSA-N 1 0 185.654 1.815 50 0 in-vitro ADAARO [NH3+]CCOc1cccc2cccnc12 16623025 169191875 /nfs/dbraw/zinc/19/18/75/169191875.db2.gz HEFUVGGDWOENCY-UHFFFAOYSA-N 1 0 188.230 1.572 50 0 ADAARO [NH3+]CCOc1ccc(Cl)cn1 51870228 169191878 /nfs/dbraw/zinc/19/18/78/169191878.db2.gz GJMGSRDVCHQVGB-UHFFFAOYSA-N 1 0 172.615 1.073 50 0 in-vitro ADAARO [NH3+]CCOc1cc(Cl)ccn1 83428662 169191909 /nfs/dbraw/zinc/19/19/09/169191909.db2.gz LCIWEWNYGUFCHP-UHFFFAOYSA-N 1 0 172.615 1.073 50 0 ADAARO [NH3+]CCOc1ccc(F)cc1 4954627 169191913 /nfs/dbraw/zinc/19/19/13/169191913.db2.gz HTMIRIIZZGJJBK-UHFFFAOYSA-N 1 0 155.172 1.163 50 0 in-vitro ADAARO [NH3+]CCOc1cncc(Cl)c1 13819699 169191922 /nfs/dbraw/zinc/19/19/22/169191922.db2.gz JVCHBIRDUSSLFJ-UHFFFAOYSA-N 1 0 172.615 1.073 50 0 ADAARO [NH3+]CCOc1cccc(F)c1 12359766 169191967 /nfs/dbraw/zinc/19/19/67/169191967.db2.gz UTSSEDORJLCBMS-UHFFFAOYSA-N 1 0 155.172 1.163 50 0 in-vitro ADAARO [NH3+]CCOc1ccc(F)c(F)c1 36749889 169192008 /nfs/dbraw/zinc/19/20/08/169192008.db2.gz JPEKPAAMGGGNKE-UHFFFAOYSA-N 1 0 173.162 1.302 50 0 in-vitro ADAARO [NH3+]CCOCCc1ccccc1 14628601 169192017 /nfs/dbraw/zinc/19/20/17/169192017.db2.gz DEAFSYBOATUGFE-UHFFFAOYSA-N 1 0 165.236 1.204 50 0 in-vitro ADAARO [NH3+]CCOC(F)(F)C(F)(F)F 91252260 169192024 /nfs/dbraw/zinc/19/20/24/169192024.db2.gz ZCGAJWDICHSOMA-UHFFFAOYSA-N 1 0 179.088 1.117 50 0 ADAARO [NH3+]CCOc1cc(F)cc(F)c1 54932195 169192038 /nfs/dbraw/zinc/19/20/38/169192038.db2.gz OVEITJSDGWRVLP-UHFFFAOYSA-N 1 0 173.162 1.302 50 0 ADAARO [NH3+]CCOc1ccc(F)cc1Cl 9230390 169192050 /nfs/dbraw/zinc/19/20/50/169192050.db2.gz LDFFQENWSRJYPB-UHFFFAOYSA-N 1 0 189.617 1.817 50 0 in-vitro ADAARO [NH3+]CCSC(=O)c1ccccc1 1678035 169192052 /nfs/dbraw/zinc/19/20/52/169192052.db2.gz RXAXEXYDIIGAFS-UHFFFAOYSA-N 1 0 181.260 1.519 50 0 in-vitro ADAARO [NH3+]CCOc1cccc2c1CCCC2 14628568 169192142 /nfs/dbraw/zinc/19/21/42/169192142.db2.gz RAKKZEOBJCOVLV-UHFFFAOYSA-N 1 0 191.274 1.903 50 0 ADAARO [NH3+]CCOC1CCCCCC1 40227852 169192148 /nfs/dbraw/zinc/19/21/48/169192148.db2.gz NFJMRBSCKYIWIH-UHFFFAOYSA-N 1 0 157.257 1.685 50 0 in-vitro ADAARO [NH3+]CCOc1ccc(F)c(Cl)c1 12138199 169192165 /nfs/dbraw/zinc/19/21/65/169192165.db2.gz URFXEBKDXWTUOS-UHFFFAOYSA-N 1 0 189.617 1.817 50 0 in-vitro ADAARO [NH3+]CCOc1ncccc1Cl 51870103 169192166 /nfs/dbraw/zinc/19/21/66/169192166.db2.gz IIGXKLDQZNFJJA-UHFFFAOYSA-N 1 0 172.615 1.073 50 0 in-vitro ADAARO [NH3+]CCOCCOCc1ccccc1 74495320 169192172 /nfs/dbraw/zinc/19/21/72/169192172.db2.gz SQXOAFKQZRVRTF-UHFFFAOYSA-N 1 0 195.262 1.179 50 0 in-vitro ADAARO [NH3+]CCOc1cccc(Cl)c1 12428743 169192206 /nfs/dbraw/zinc/19/22/06/169192206.db2.gz SKLZUIZCCAYHOB-UHFFFAOYSA-N 1 0 171.627 1.678 50 0 in-vitro ADAARO [NH3+]CCOc1ccc2c(c1)CCCC2 6243456 169192230 /nfs/dbraw/zinc/19/22/30/169192230.db2.gz YDCYLJXSOMFAHB-UHFFFAOYSA-N 1 0 191.274 1.903 50 0 ADAARO [NH3+]CCOCC1CCCCC1 14628599 169192232 /nfs/dbraw/zinc/19/22/32/169192232.db2.gz AYJJPHRJIYGNAJ-UHFFFAOYSA-N 1 0 157.257 1.542 50 0 in-vitro ADAARO [NH3+]CCOCc1nc2ccccc2[nH]1 2534071 169192247 /nfs/dbraw/zinc/19/22/47/169192247.db2.gz YQQGKTIURXPVPL-UHFFFAOYSA-N 1 0 191.234 1.038 50 0 in-vitro ADAARO [NH3+]CCOc1ccccc1 2039265 169192259 /nfs/dbraw/zinc/19/22/59/169192259.db2.gz IMLAIXAZMVDRGA-UHFFFAOYSA-N 1 0 137.182 1.024 50 0 in-vitro ADAARO [NH3+]CCOCc1ccccc1Cl 2995718 169192279 /nfs/dbraw/zinc/19/22/79/169192279.db2.gz IRWUCQHJHZCQST-UHFFFAOYSA-N 1 0 185.654 1.815 50 0 in-vitro ADAARO [NH3+]CCOc1ccc2ncccc2c1 82787687 169192337 /nfs/dbraw/zinc/19/23/37/169192337.db2.gz RPLKZVCAQFWTME-UHFFFAOYSA-N 1 0 188.230 1.572 50 0 ADAARO [NH3+]CCOCCc1ccc(F)cc1 14628604 169192383 /nfs/dbraw/zinc/19/23/83/169192383.db2.gz BWESXVJGFQXEKQ-UHFFFAOYSA-N 1 0 183.226 1.344 50 0 in-vitro ADAARO [NH3+]CCSC(F)(F)F 19427033 169192430 /nfs/dbraw/zinc/19/24/30/169192430.db2.gz PQTQMKOWDYNUNW-UHFFFAOYSA-N 1 0 145.149 1.198 50 0 in-vitro ADAARO [NH3+]CCOc1nc2ccccc2s1 45236963 169192437 /nfs/dbraw/zinc/19/24/37/169192437.db2.gz FAWOSQLWPZWOGP-UHFFFAOYSA-N 1 0 194.259 1.634 50 0 in-vitro ADAARO [NH3+]CCSCc1ccsc1 4218656 169192790 /nfs/dbraw/zinc/19/27/90/169192790.db2.gz QDONXFJOTSSRRP-UHFFFAOYSA-N 1 0 173.306 1.940 50 0 in-vitro ADAARO [NH3+]CC[C@@H](CCO)c1ccccc1 90397597 169192825 /nfs/dbraw/zinc/19/28/25/169192825.db2.gz RRRGAPCIXYYEOC-NSHDSACASA-N 1 0 179.263 1.501 50 0 ADAARO [NH3+]CC[C@@H](O)c1ccc(F)cc1 19674787 169192865 /nfs/dbraw/zinc/19/28/65/169192865.db2.gz KYWHMJZDJKWPJT-SECBINFHSA-N 1 0 169.199 1.208 50 0 in-vitro ADAARO [NH3+]CCSc1nc2ccccc2o1 6584354 169192875 /nfs/dbraw/zinc/19/28/75/169192875.db2.gz LIZDKHZOMRDDRY-UHFFFAOYSA-N 1 0 194.259 1.879 50 0 in-vitro ADAARO [NH3+]CC[C@@H]1CC=CCC1 34451646 169192891 /nfs/dbraw/zinc/19/28/91/169192891.db2.gz CMPQPEBYXODWON-MRVPVSSYSA-N 1 0 125.215 1.692 50 0 ADAARO [NH3+]CCSc1ccccc1F 19472857 169192893 /nfs/dbraw/zinc/19/28/93/169192893.db2.gz DMQOBNMJTFEKLG-UHFFFAOYSA-N 1 0 171.240 1.877 50 0 in-vitro ADAARO [NH3+]CCSc1nc2ccccc2[nH]1 2024921 169192923 /nfs/dbraw/zinc/19/29/23/169192923.db2.gz VRYQWOHUFXJQHB-UHFFFAOYSA-N 1 0 193.275 1.614 50 0 ADAARO [NH3+]CC[C@@H](O)CCc1ccccc1 41200840 169192953 /nfs/dbraw/zinc/19/29/53/169192953.db2.gz MQRVXBDFCCKLST-NSHDSACASA-N 1 0 179.263 1.329 50 0 ADAARO [NH3+]CCSc1ccccn1 5900419 169193034 /nfs/dbraw/zinc/19/30/34/169193034.db2.gz QZWULHZPKLFOQL-UHFFFAOYSA-N 1 0 154.238 1.132 50 0 in-vitro ADAARO [NH3+]CCSc1ccc(F)cc1 5769576 169193113 /nfs/dbraw/zinc/19/31/13/169193113.db2.gz VVAKGUUGRVPWTA-UHFFFAOYSA-N 1 0 171.240 1.877 50 0 in-vitro ADAARO [NH3+]CCSc1ccccc1 1737500 169193269 /nfs/dbraw/zinc/19/32/69/169193269.db2.gz UBKQRASXZMLQRJ-UHFFFAOYSA-N 1 0 153.250 1.737 50 0 in-vitro ADAARO [NH3+]CCSCc1ccccc1 1671300 169193406 /nfs/dbraw/zinc/19/34/06/169193406.db2.gz PNCWHIAZZSDHPU-UHFFFAOYSA-N 1 0 167.277 1.879 50 0 in-vitro ADAARO [NH3+]CC[C@@H](O)c1cccc(Cl)c1 41203309 169193422 /nfs/dbraw/zinc/19/34/22/169193422.db2.gz DVMCKCPUBSCVGS-SECBINFHSA-N 1 0 185.654 1.722 50 0 in-vitro ADAARO [NH3+]CC[C@@H]1C(=O)Nc2ccc(F)cc21 19702422 169193424 /nfs/dbraw/zinc/19/34/24/169193424.db2.gz FKROBLPDKSTRDR-ZETCQYMHSA-N 1 0 194.209 1.210 50 0 in-vitro ADAARO [NH3+]CC[C@@H]1C(=O)Nc2ccccc21 518123 169193431 /nfs/dbraw/zinc/19/34/31/169193431.db2.gz SZDFIVJGWVHZAV-QMMMGPOBSA-N 1 0 176.219 1.071 50 0 biogenic,in-vitro ADAARO [NH3+]CCSCc1ccco1 2572501 169193468 /nfs/dbraw/zinc/19/34/68/169193468.db2.gz VSPDYEHKAMKDNW-UHFFFAOYSA-N 1 0 157.238 1.472 50 0 ADAARO [NH3+]CC[C@@H]1CCCCC12OCCO2 225948988 169193575 /nfs/dbraw/zinc/19/35/75/169193575.db2.gz GNWNLEUMWKOIGI-VIFPVBQESA-N 1 0 185.267 1.269 50 0 ADAARO [NH3+]CC[C@@H]1CCCC1(F)F 95829060 169193598 /nfs/dbraw/zinc/19/35/98/169193598.db2.gz OUORFBWHYHZQIN-LURJTMIESA-N 1 0 149.184 1.771 50 0 ADAARO [NH3+]CC[C@@H](O)c1ccsc1 82632244 169193657 /nfs/dbraw/zinc/19/36/57/169193657.db2.gz DDJRPLHKUOZYJD-SSDOTTSWSA-N 1 0 157.238 1.130 50 0 in-vitro ADAARO [NH3+]CCSCc1cccs1 4206211 169193684 /nfs/dbraw/zinc/19/36/84/169193684.db2.gz JXZZRROZGUTKFV-UHFFFAOYSA-N 1 0 173.306 1.940 50 0 ADAARO [NH3+]CC[C@@H](O)C1CCCCC1 41167419 169193699 /nfs/dbraw/zinc/19/36/99/169193699.db2.gz XCLDJLVBFPRDGM-SECBINFHSA-N 1 0 157.257 1.276 50 0 ADAARO [NH3+]CC[C@@H](O)c1ccccc1 6116184 169193716 /nfs/dbraw/zinc/19/37/16/169193716.db2.gz PHIYHIOQVWTXII-SECBINFHSA-N 1 0 151.209 1.069 50 0 in-vitro ADAARO [NH3+]CC[C@H](O)C1CCCCC1 41167421 169193929 /nfs/dbraw/zinc/19/39/29/169193929.db2.gz XCLDJLVBFPRDGM-VIFPVBQESA-N 1 0 157.257 1.276 50 0 ADAARO [NH3+]CC[C@H](CCO)c1ccccc1 90397598 169193953 /nfs/dbraw/zinc/19/39/53/169193953.db2.gz RRRGAPCIXYYEOC-LLVKDONJSA-N 1 0 179.263 1.501 50 0 ADAARO [NH3+]CC[C@@H]1OCCc2ccccc21 70561868 169194018 /nfs/dbraw/zinc/19/40/18/169194018.db2.gz YLNMRYQXJHZILH-NSHDSACASA-N 1 0 177.247 1.649 50 0 ADAARO [NH3+]CC[C@@H]1CCCS1 4801989 169194043 /nfs/dbraw/zinc/19/40/43/169194043.db2.gz IOQHDQJALHJOLF-LURJTMIESA-N 1 0 131.244 1.231 50 0 ADAARO [NH3+]CC[C@@H]1C[C@@H]2C=C[C@H]1C2 18620578 169194146 /nfs/dbraw/zinc/19/41/46/169194146.db2.gz IGRYFUUCWNBVDN-HRDYMLBCSA-N 1 0 137.226 1.547 50 0 ADAARO [NH3+]CC[C@@H]1COc2ccccc21 74340943 169194211 /nfs/dbraw/zinc/19/42/11/169194211.db2.gz BZCOTUSDEIPNHR-MRVPVSSYSA-N 1 0 163.220 1.511 50 0 ADAARO [NH3+]CC[C@@H]1Cc2ccccc2O1 33961463 169194239 /nfs/dbraw/zinc/19/42/39/169194239.db2.gz ZLVOQLHSCVKTGZ-SECBINFHSA-N 1 0 163.220 1.339 50 0 ADAARO [NH3+]CC[C@@H]1CSc2ccccc2O1 306669755 169194334 /nfs/dbraw/zinc/19/43/34/169194334.db2.gz XDFWENMLDSZLDN-MRVPVSSYSA-N 1 0 195.287 1.889 50 0 ADAARO [NH3+]CC[C@H](O)CCc1ccccc1 41200843 169194358 /nfs/dbraw/zinc/19/43/58/169194358.db2.gz MQRVXBDFCCKLST-LLVKDONJSA-N 1 0 179.263 1.329 50 0 ADAARO [NH3+]CC[C@@H]1CNc2ccccc21 27518978 169194397 /nfs/dbraw/zinc/19/43/97/169194397.db2.gz ZIMNJHFFARFXNK-MRVPVSSYSA-N 1 0 162.236 1.545 50 0 ADAARO [NH3+]CC[C@@]1(O)CCc2ccccc21 82398223 169194484 /nfs/dbraw/zinc/19/44/84/169194484.db2.gz PZHWGICWNJEDPY-NSHDSACASA-N 1 0 177.247 1.169 50 0 ADAARO [NH3+]CC[C@@H]1COc2ccccc2O1 4751911 169194715 /nfs/dbraw/zinc/19/47/15/169194715.db2.gz BIDRHBDWACXXJK-MRVPVSSYSA-N 1 0 179.219 1.175 50 0 in-vitro ADAARO [NH3+]CC[C@H](O)c1cccc(Cl)c1 41203312 169194922 /nfs/dbraw/zinc/19/49/22/169194922.db2.gz DVMCKCPUBSCVGS-VIFPVBQESA-N 1 0 185.654 1.722 50 0 in-vitro ADAARO [NH3+]CC[C@H]1COc2ccccc2O1 4751909 169195050 /nfs/dbraw/zinc/19/50/50/169195050.db2.gz BIDRHBDWACXXJK-QMMMGPOBSA-N 1 0 179.219 1.175 50 0 in-vitro ADAARO [NH3+]CC[C@H]1CCCC1(F)F 95829059 169195103 /nfs/dbraw/zinc/19/51/03/169195103.db2.gz OUORFBWHYHZQIN-ZCFIWIBFSA-N 1 0 149.184 1.771 50 0 ADAARO [NH3+]CC[C@H]1Cc2ccccc2O1 33961462 169195112 /nfs/dbraw/zinc/19/51/12/169195112.db2.gz ZLVOQLHSCVKTGZ-VIFPVBQESA-N 1 0 163.220 1.339 50 0 ADAARO [NH3+]CC[C@H]1C(=O)Nc2ccc(F)cc21 9477129 169195454 /nfs/dbraw/zinc/19/54/54/169195454.db2.gz FKROBLPDKSTRDR-SSDOTTSWSA-N 1 0 194.209 1.210 50 0 in-vitro ADAARO [NH3+]CC[C@H]1CC=CCC1 34451649 169195464 /nfs/dbraw/zinc/19/54/64/169195464.db2.gz CMPQPEBYXODWON-QMMMGPOBSA-N 1 0 125.215 1.692 50 0 ADAARO [NH3+]CC[C@H](O)c1ccc(F)cc1 19674789 169195497 /nfs/dbraw/zinc/19/54/97/169195497.db2.gz KYWHMJZDJKWPJT-VIFPVBQESA-N 1 0 169.199 1.208 50 0 in-vitro ADAARO [NH3+]CC[C@H]1CSc2ccccc2O1 306669757 169195545 /nfs/dbraw/zinc/19/55/45/169195545.db2.gz XDFWENMLDSZLDN-QMMMGPOBSA-N 1 0 195.287 1.889 50 0 ADAARO [NH3+]CC[C@H](O)c1ccccc1 1597644 169195588 /nfs/dbraw/zinc/19/55/88/169195588.db2.gz PHIYHIOQVWTXII-VIFPVBQESA-N 1 0 151.209 1.069 50 0 in-vitro ADAARO [NH3+]CC[C@H]1CNc2ccccc21 27518979 169195747 /nfs/dbraw/zinc/19/57/47/169195747.db2.gz ZIMNJHFFARFXNK-QMMMGPOBSA-N 1 0 162.236 1.545 50 0 ADAARO [NH3+]CC[C@H]1C(=O)Nc2ccccc21 19701862 169195809 /nfs/dbraw/zinc/19/58/09/169195809.db2.gz SZDFIVJGWVHZAV-MRVPVSSYSA-N 1 0 176.219 1.071 50 0 biogenic,in-vitro ADAARO [NH3+]CC[C@H]1CCCS1 1675322 169195867 /nfs/dbraw/zinc/19/58/67/169195867.db2.gz IOQHDQJALHJOLF-ZCFIWIBFSA-N 1 0 131.244 1.231 50 0 ADAARO [NH3+]CC[C@H](O)c1ccsc1 82632246 169195923 /nfs/dbraw/zinc/19/59/23/169195923.db2.gz DDJRPLHKUOZYJD-ZETCQYMHSA-N 1 0 157.238 1.130 50 0 in-vitro ADAARO [NH3+]CC[C@H]1CCCCC12OCCO2 225949005 169195928 /nfs/dbraw/zinc/19/59/28/169195928.db2.gz GNWNLEUMWKOIGI-SECBINFHSA-N 1 0 185.267 1.269 50 0 ADAARO [NH3+]CC[C@H]1COc2ccccc21 74340946 169195983 /nfs/dbraw/zinc/19/59/83/169195983.db2.gz BZCOTUSDEIPNHR-QMMMGPOBSA-N 1 0 163.220 1.511 50 0 ADAARO [NH3+]CCc1cc(C(F)(F)F)co1 82397417 169196075 /nfs/dbraw/zinc/19/60/75/169196075.db2.gz JEPVFARNYACJEP-UHFFFAOYSA-N 1 0 179.141 1.800 50 0 ADAARO [NH3+]CCc1c[nH]c2ccc(F)cc12 77278 169196159 /nfs/dbraw/zinc/19/61/59/169196159.db2.gz ZKIORVIXEWIOGB-UHFFFAOYSA-N 1 0 178.210 1.808 50 0 biogenic,in-vivo ADAARO [NH3+]C[C@H]1COc2ccccc21 24320043 169216972 /nfs/dbraw/zinc/21/69/72/169216972.db2.gz WUVYUJQJHJGINF-ZETCQYMHSA-N 1 0 149.193 1.121 50 0 in-vitro ADAARO [NH3+]CCc1cc2ccccc2o1 20389161 169196212 /nfs/dbraw/zinc/19/62/12/169196212.db2.gz LPEGMOMWJPWYNX-UHFFFAOYSA-N 1 0 161.204 1.934 50 0 in-vitro ADAARO [NH3+]CCc1cc2ccccc2[nH]c1=O 11980260 169196267 /nfs/dbraw/zinc/19/62/67/169196267.db2.gz WKJWBIHINHJHQF-UHFFFAOYSA-N 1 0 188.230 1.029 50 0 ADAARO [NH3+]CCc1cc(Cl)ccc1F 44248956 169196281 /nfs/dbraw/zinc/19/62/81/169196281.db2.gz FFISIJAJEXYYNZ-UHFFFAOYSA-N 1 0 173.618 1.980 50 0 ADAARO [NH3+]CCc1c[nH]c2ncc(Cl)cc12 82908399 169196302 /nfs/dbraw/zinc/19/63/02/169196302.db2.gz SIWBAYOSUZHKQX-UHFFFAOYSA-N 1 0 195.653 1.718 50 0 in-vitro ADAARO [NH3+]CCc1c(F)cccc1Cl 2510232 169196309 /nfs/dbraw/zinc/19/63/09/169196309.db2.gz NNEMMAAHBKHXLP-UHFFFAOYSA-N 1 0 173.618 1.980 50 0 in-vitro ADAARO [NH3+]CCc1cc(Cl)c2c(c1)OCO2 20272866 169196313 /nfs/dbraw/zinc/19/63/13/169196313.db2.gz DNWZIIOJSPOFLC-UHFFFAOYSA-N 1 0 199.637 1.570 50 0 ADAARO [NH3+]CCc1cc2cccnc2[nH]1 82850345 169196319 /nfs/dbraw/zinc/19/63/19/169196319.db2.gz MRHOWXVSSSGRGX-UHFFFAOYSA-N 1 0 161.208 1.064 50 0 ADAARO [NH3+]CCc1c[nH]c2cc(O)ccc12 2562379 169196352 /nfs/dbraw/zinc/19/63/52/169196352.db2.gz WZTKTNRVJAMKAS-UHFFFAOYSA-N 1 0 176.219 1.375 50 0 in-vitro ADAARO [NH3+]CCc1c[nH]c2cnccc12 45328842 169196471 /nfs/dbraw/zinc/19/64/71/169196471.db2.gz LIAWRBWIQJKHNG-UHFFFAOYSA-N 1 0 161.208 1.064 50 0 ADAARO [NH3+]CCc1c[nH]c2cc(F)c(F)cc12 20417594 169196479 /nfs/dbraw/zinc/19/64/79/169196479.db2.gz OAGWCIZEECVHRW-UHFFFAOYSA-N 1 0 196.200 1.947 50 0 ADAARO [NH3+]CCc1c[nH]c2cccnc12 38876256 169196490 /nfs/dbraw/zinc/19/64/90/169196490.db2.gz USCHHUMFWCCWJD-UHFFFAOYSA-N 1 0 161.208 1.064 50 0 in-vitro ADAARO [NH3+]CCc1c(Cl)cncc1Cl 44397772 169196511 /nfs/dbraw/zinc/19/65/11/169196511.db2.gz SBUIYZHUWTVUME-UHFFFAOYSA-N 1 0 191.061 1.890 50 0 ADAARO [NH3+]CC[C@]1(c2cccnc2)CCC[NH2+]1 91692932 169196536 /nfs/dbraw/zinc/19/65/36/169196536.db2.gz PEULUYDKMPCSAN-NSHDSACASA-N 1 0 191.278 1.009 50 0 in-vitro ADAARO [NH3+]CCc1c[nH]c2c(F)cccc12 2583775 169196584 /nfs/dbraw/zinc/19/65/84/169196584.db2.gz QRAWNNQNLQPNIZ-UHFFFAOYSA-N 1 0 178.210 1.808 50 0 in-vitro ADAARO [NH3+]CCc1c(F)cccc1F 2380370 169196614 /nfs/dbraw/zinc/19/66/14/169196614.db2.gz ADHKZSNGELMMAG-UHFFFAOYSA-N 1 0 157.163 1.466 50 0 in-vitro ADAARO [NH3+]CCc1c[nH]c2ccccc12 120144 169196619 /nfs/dbraw/zinc/19/66/19/169196619.db2.gz APJYDQYYACXCRM-UHFFFAOYSA-N 1 0 160.220 1.669 50 0 endogenous,in-man ADAARO [NH3+]CCc1cc(Cl)cs1 62709821 169196636 /nfs/dbraw/zinc/19/66/36/169196636.db2.gz NBBDGOLNUQVLOO-UHFFFAOYSA-N 1 0 161.657 1.903 50 0 ADAARO [NH3+]CCc1c[nH]c2c(F)cc(F)cc12 34549247 169196668 /nfs/dbraw/zinc/19/66/68/169196668.db2.gz HIXINMJLIBGAFJ-UHFFFAOYSA-N 1 0 196.200 1.947 50 0 ADAARO [NH3+]CCc1c[nH]c2cccc(F)c12 2384146 169196680 /nfs/dbraw/zinc/19/66/80/169196680.db2.gz QTNVDKAISCZLHR-UHFFFAOYSA-N 1 0 178.210 1.808 50 0 ADAARO [NH3+]CC[C@H]1OCCc2ccccc21 70561867 169196681 /nfs/dbraw/zinc/19/66/81/169196681.db2.gz YLNMRYQXJHZILH-LLVKDONJSA-N 1 0 177.247 1.649 50 0 ADAARO [NH3+]CCc1cc(F)c(F)c(F)c1 44248670 169196726 /nfs/dbraw/zinc/19/67/26/169196726.db2.gz PQBGWZNRSDCRMM-UHFFFAOYSA-N 1 0 175.153 1.605 50 0 in-vitro ADAARO [NH3+]CCc1cc2ccccn2c1 11587381 169196731 /nfs/dbraw/zinc/19/67/31/169196731.db2.gz SUSCRBNRTGRASZ-UHFFFAOYSA-N 1 0 160.220 1.441 50 0 ADAARO [NH3+]CCc1c[nH]c2cc(F)ccc12 402912 169196781 /nfs/dbraw/zinc/19/67/81/169196781.db2.gz BQTOKMYKZPCPRW-UHFFFAOYSA-N 1 0 178.210 1.808 50 0 in-vitro ADAARO [NH3+]CCc1cc(F)cc(F)c1 2380368 169196786 /nfs/dbraw/zinc/19/67/86/169196786.db2.gz WRPAZHKOVLYSCH-UHFFFAOYSA-N 1 0 157.163 1.466 50 0 in-vitro ADAARO [NH3+]CCc1c[nH]c2ccc(O)cc12 57058 169196800 /nfs/dbraw/zinc/19/68/00/169196800.db2.gz QZAYGJVTTNCVMB-UHFFFAOYSA-N 1 0 176.219 1.375 50 0 endogenous,world ADAARO [NH3+]CCc1cc(F)ccc1F 2380367 169196853 /nfs/dbraw/zinc/19/68/53/169196853.db2.gz DLRBTZWRKKEPKT-UHFFFAOYSA-N 1 0 157.163 1.466 50 0 in-vitro ADAARO [NH3+]CCc1c[nH]c2c(O)cc(O)cc12 388557 169196890 /nfs/dbraw/zinc/19/68/90/169196890.db2.gz LXWHQTNFZDTKBH-UHFFFAOYSA-N 1 0 192.218 1.080 50 0 ADAARO [NH3+]CCc1cc(C(F)(F)F)ccn1 83141806 169196896 /nfs/dbraw/zinc/19/68/96/169196896.db2.gz AIJJATXYPUHTIR-UHFFFAOYSA-N 1 0 190.168 1.602 50 0 in-vitro ADAARO [NH3+]CC[C@]1(O)CCc2ccccc21 82398224 169196936 /nfs/dbraw/zinc/19/69/36/169196936.db2.gz PZHWGICWNJEDPY-LLVKDONJSA-N 1 0 177.247 1.169 50 0 ADAARO [NH3+]CCc1cc(-c2ccccc2)n[nH]1 41140747 169196973 /nfs/dbraw/zinc/19/69/73/169196973.db2.gz PWOSEDMIGDUIEU-UHFFFAOYSA-N 1 0 187.246 1.578 50 0 ADAARO [NH3+]CCc1cc(F)ccc1Cl 82399547 169197000 /nfs/dbraw/zinc/19/70/00/169197000.db2.gz XEFUOWKAWLJYLW-UHFFFAOYSA-N 1 0 173.618 1.980 50 0 ADAARO [NH3+]CCc1cc(F)cc2c1OCOC2 32627419 169197027 /nfs/dbraw/zinc/19/70/27/169197027.db2.gz KJXOORGVJXTGTH-UHFFFAOYSA-N 1 0 197.209 1.193 50 0 ADAARO [NH3+]CCc1c[nH]c2cc[nH+]cc12 45328765 169197145 /nfs/dbraw/zinc/19/71/45/169197145.db2.gz MPGWXKYGIDJLQT-UHFFFAOYSA-N 1 0 161.208 1.064 50 0 ADAARO [NH3+]CCc1cc(C(F)(F)F)no1 82529598 169197281 /nfs/dbraw/zinc/19/72/81/169197281.db2.gz BTFNZIWMIQMTQG-UHFFFAOYSA-N 1 0 180.129 1.195 50 0 ADAARO [NH3+]CCc1cc2ccccc2[nH]1 901392 169197284 /nfs/dbraw/zinc/19/72/84/169197284.db2.gz WRAUXDQDRDJTKM-UHFFFAOYSA-N 1 0 160.220 1.669 50 0 in-vitro ADAARO [NH3+]CCc1ccc2c(c1)CCO2 22213277 169197534 /nfs/dbraw/zinc/19/75/34/169197534.db2.gz GDRWGOBKFDGTJB-UHFFFAOYSA-N 1 0 163.220 1.123 50 0 in-vitro ADAARO [NH3+]CCc1ccc(Cl)cc1F 44248918 169197537 /nfs/dbraw/zinc/19/75/37/169197537.db2.gz LPKKDFRWZPFMHL-UHFFFAOYSA-N 1 0 173.618 1.980 50 0 ADAARO [NH3+]CCc1ccc(Cl)c(F)c1 43388655 169197551 /nfs/dbraw/zinc/19/75/51/169197551.db2.gz WZYBQWUBDRIKDC-UHFFFAOYSA-N 1 0 173.618 1.980 50 0 ADAARO [NH3+]CCc1cccc2[nH]ccc12 11919695 169197556 /nfs/dbraw/zinc/19/75/56/169197556.db2.gz XBARKDQKGSJDLG-UHFFFAOYSA-N 1 0 160.220 1.669 50 0 in-vitro ADAARO [NH3+]CCc1ccc(C(F)(F)F)cn1 19408081 169197566 /nfs/dbraw/zinc/19/75/66/169197566.db2.gz ZYAAOPBQLZKGHH-UHFFFAOYSA-N 1 0 190.168 1.602 50 0 in-vitro ADAARO [NH3+]CCc1ccc2c(c1)OCCCO2 5514253 169197590 /nfs/dbraw/zinc/19/75/90/169197590.db2.gz RLOYMNFEKFOAEL-UHFFFAOYSA-N 1 0 193.246 1.349 50 0 ADAARO [NH3+]CCc1ccc2cccnc2c1 44397970 169197608 /nfs/dbraw/zinc/19/76/08/169197608.db2.gz OIBGYFVCEOVZJN-UHFFFAOYSA-N 1 0 172.231 1.736 50 0 ADAARO [NH3+]CCc1ccccc1OC(F)F 19273563 169197618 /nfs/dbraw/zinc/19/76/18/169197618.db2.gz OXRNGPWAFSPUEQ-UHFFFAOYSA-N 1 0 187.189 1.789 50 0 in-vitro ADAARO [NH3+]CCc1ccc(OC(F)F)cc1 4206295 169197627 /nfs/dbraw/zinc/19/76/27/169197627.db2.gz QVANIQIFGOVCFT-UHFFFAOYSA-N 1 0 187.189 1.789 50 0 ADAARO [NH3+]CCc1ccc(N2CCCC2)cc1 20269610 169197632 /nfs/dbraw/zinc/19/76/32/169197632.db2.gz WUCIDARXUAXVLA-UHFFFAOYSA-N 1 0 190.290 1.788 50 0 ADAARO [NH3+]CCc1ccnc(C(F)(F)F)c1 95761016 169197639 /nfs/dbraw/zinc/19/76/39/169197639.db2.gz SCZAEKUFRKAEAD-UHFFFAOYSA-N 1 0 190.168 1.602 50 0 ADAARO [NH3+]CCc1ccc(Br)o1 19387186 169197647 /nfs/dbraw/zinc/19/76/47/169197647.db2.gz FFOFLLFQJKMHGO-UHFFFAOYSA-N 1 0 190.040 1.543 50 0 in-vitro ADAARO [NH3+]CCc1cccc(C(F)(F)F)n1 44371822 169197657 /nfs/dbraw/zinc/19/76/57/169197657.db2.gz CUMPHXGSZPTDQH-UHFFFAOYSA-N 1 0 190.168 1.602 50 0 ADAARO [NH3+]CCc1ccccc1 6579654 169197659 /nfs/dbraw/zinc/19/76/59/169197659.db2.gz BHHGXPLMPWCGHP-UHFFFAOYSA-N 1 0 121.183 1.188 50 0 endogenous,in-man ADAARO [NH3+]CCc1cccc2[nH]c(=O)ccc12 29476945 169197667 /nfs/dbraw/zinc/19/76/67/169197667.db2.gz UPXJAYCATDNPSI-UHFFFAOYSA-N 1 0 188.230 1.442 50 0 ADAARO [NH3+]CCc1ccc(C=O)cc1 16696840 169197676 /nfs/dbraw/zinc/19/76/76/169197676.db2.gz ZIGUFSQHAGLYHM-UHFFFAOYSA-N 1 0 149.193 1.000 50 0 in-vitro ADAARO [NH3+]CCc1cccc(F)c1 389670 169197677 /nfs/dbraw/zinc/19/76/77/169197677.db2.gz AUCVZEYHEFAWHO-UHFFFAOYSA-N 1 0 139.173 1.327 50 0 in-vitro ADAARO [NH3+]CCc1cccc(-c2ncco2)c1 213344265 169197681 /nfs/dbraw/zinc/19/76/81/169197681.db2.gz SKMZHCDUEGOPKL-UHFFFAOYSA-N 1 0 188.230 1.843 50 0 ADAARO [NH3+]CCc1ccc(F)c(F)c1 2380364 169197685 /nfs/dbraw/zinc/19/76/85/169197685.db2.gz DMXDNYQJKIUMMR-UHFFFAOYSA-N 1 0 157.163 1.466 50 0 in-vitro ADAARO [NH3+]CCc1ccc2c[nH]nc2c1 36533376 169197705 /nfs/dbraw/zinc/19/77/05/169197705.db2.gz WPDRJEQNMNFKOY-UHFFFAOYSA-N 1 0 161.208 1.064 50 0 in-vitro ADAARO [NH3+]CCc1cccc2cc[nH]c12 44396914 169197718 /nfs/dbraw/zinc/19/77/18/169197718.db2.gz JRWUXZQPAULKLR-UHFFFAOYSA-N 1 0 160.220 1.669 50 0 in-vitro ADAARO [NH3+]CCc1cccc2c1NCCC2 71372429 169197730 /nfs/dbraw/zinc/19/77/30/169197730.db2.gz DBKQJKSUPSOCSD-UHFFFAOYSA-N 1 0 176.263 1.546 50 0 in-vitro ADAARO [NH3+]CCc1ccc(F)cc1F 2380365 169197782 /nfs/dbraw/zinc/19/77/82/169197782.db2.gz OGCUAECIKFVXQG-UHFFFAOYSA-N 1 0 157.163 1.466 50 0 in-vitro ADAARO [NH3+]CCc1ccccc1F 389782 169197803 /nfs/dbraw/zinc/19/78/03/169197803.db2.gz RIKUOLJPJNVTEP-UHFFFAOYSA-N 1 0 139.173 1.327 50 0 in-vitro ADAARO [NH3+]CCc1ccc(C(F)(F)F)nc1 26461422 169197812 /nfs/dbraw/zinc/19/78/12/169197812.db2.gz WROOFMMSFNGPDX-UHFFFAOYSA-N 1 0 190.168 1.602 50 0 in-vitro ADAARO [NH3+]CCc1cccc(Cl)c1F 44248908 169197910 /nfs/dbraw/zinc/19/79/10/169197910.db2.gz ZKWDNAHXIHESJG-UHFFFAOYSA-N 1 0 173.618 1.980 50 0 ADAARO [NH3+]CCc1ccccc1Cl 407079 169197920 /nfs/dbraw/zinc/19/79/20/169197920.db2.gz RZBOMSOHMOVUES-UHFFFAOYSA-N 1 0 155.628 1.841 50 0 in-vitro ADAARO [NH3+]CCc1ccc2cc[nH]c2c1 15424048 169197941 /nfs/dbraw/zinc/19/79/41/169197941.db2.gz IBXWKQVHECMCRW-UHFFFAOYSA-N 1 0 160.220 1.669 50 0 in-vitro ADAARO [NH3+]CCc1cccc2cccnc12 12505251 169197957 /nfs/dbraw/zinc/19/79/57/169197957.db2.gz AWLDVDHLEXTALM-UHFFFAOYSA-N 1 0 172.231 1.736 50 0 in-vitro ADAARO [NH3+]CCc1cccc2cnccc12 19722018 169197978 /nfs/dbraw/zinc/19/79/78/169197978.db2.gz NKQAWXHNHXWCLX-UHFFFAOYSA-N 1 0 172.231 1.736 50 0 ADAARO [NH3+]CCc1ccc(N2CCCC2)nc1 20445861 169197990 /nfs/dbraw/zinc/19/79/90/169197990.db2.gz NAGOVOOPNKWHJM-UHFFFAOYSA-N 1 0 191.278 1.183 50 0 ADAARO [NH3+]CCc1ccc2c(c1)CCCN2 36182135 169198013 /nfs/dbraw/zinc/19/80/13/169198013.db2.gz TXLKADKPUZNQOT-UHFFFAOYSA-N 1 0 176.263 1.546 50 0 ADAARO [NH3+]CCc1cccc(Cl)c1 389622 169198016 /nfs/dbraw/zinc/19/80/16/169198016.db2.gz NRHVNPYOTNGECT-UHFFFAOYSA-N 1 0 155.628 1.841 50 0 in-vitro ADAARO [NH3+]CCc1ccc2c(c1)COC2 39278906 169198039 /nfs/dbraw/zinc/19/80/39/169198039.db2.gz ITZAREVHWOKQBH-UHFFFAOYSA-N 1 0 163.220 1.218 50 0 ADAARO [NH3+]CCc1ccc(F)cc1 389721 169198049 /nfs/dbraw/zinc/19/80/49/169198049.db2.gz CKLFJWXRWIQYOC-UHFFFAOYSA-N 1 0 139.173 1.327 50 0 in-vitro ADAARO [NH3+]CCc1ccc(Cl)cc1 404332 169198070 /nfs/dbraw/zinc/19/80/70/169198070.db2.gz SRXFXCKTIGELTI-UHFFFAOYSA-N 1 0 155.628 1.841 50 0 in-vitro ADAARO [NH3+]CCc1ccc2c(c1)COCC2 82398231 169198071 /nfs/dbraw/zinc/19/80/71/169198071.db2.gz SOCVBIUEYOONMO-UHFFFAOYSA-N 1 0 177.247 1.261 50 0 ADAARO [NH3+]CCc1ccc2ccccc2n1 20245831 169198074 /nfs/dbraw/zinc/19/80/74/169198074.db2.gz ANBAULJARIYBIL-UHFFFAOYSA-N 1 0 172.231 1.736 50 0 in-vitro ADAARO [NH3+]CCc1ccc(F)c(Cl)c1 44248912 169198079 /nfs/dbraw/zinc/19/80/79/169198079.db2.gz FJYXMCYYPFAUPO-UHFFFAOYSA-N 1 0 173.618 1.980 50 0 ADAARO [NH3+]CCc1ccc(Cl)nc1 44397113 169198082 /nfs/dbraw/zinc/19/80/82/169198082.db2.gz DSJPCYWXUGROQW-UHFFFAOYSA-N 1 0 156.616 1.236 50 0 in-vitro ADAARO [NH3+]CCc1ccc2oc(=O)[nH]c2c1 20397527 169198088 /nfs/dbraw/zinc/19/80/88/169198088.db2.gz OTFXPPUMGUJNQM-UHFFFAOYSA-N 1 0 178.191 1.035 50 0 ADAARO [NH3+]CCc1ccc2[nH]ccc2c1 15424051 169198092 /nfs/dbraw/zinc/19/80/92/169198092.db2.gz ALEWOQWOFUSKHR-UHFFFAOYSA-N 1 0 160.220 1.669 50 0 in-vitro ADAARO [NH3+]CCc1cccc2ncccc12 19722113 169198179 /nfs/dbraw/zinc/19/81/79/169198179.db2.gz WZLJRXAKWVQRJZ-UHFFFAOYSA-N 1 0 172.231 1.736 50 0 in-vitro ADAARO [NH3+]CCc1ccc(F)cc1Cl 44248800 169198183 /nfs/dbraw/zinc/19/81/83/169198183.db2.gz GQNIKIAATCRXFQ-UHFFFAOYSA-N 1 0 173.618 1.980 50 0 in-vitro ADAARO [NH3+]CCc1ccc(Cl)s1 19412326 169198202 /nfs/dbraw/zinc/19/82/02/169198202.db2.gz PWABEWHMMLQLSO-UHFFFAOYSA-N 1 0 161.657 1.903 50 0 in-vitro ADAARO [NH3+]CCc1ccc2occc2c1 44397146 169198208 /nfs/dbraw/zinc/19/82/08/169198208.db2.gz OCYJAPURRRFJMB-UHFFFAOYSA-N 1 0 161.204 1.934 50 0 ADAARO [NH3+]CCc1ccc2n[nH]cc2c1 36533374 169198211 /nfs/dbraw/zinc/19/82/11/169198211.db2.gz URZXUCGXEMALSD-UHFFFAOYSA-N 1 0 161.208 1.064 50 0 ADAARO [NH3+]CCc1ccn(-c2ccccc2)n1 47844115 169198236 /nfs/dbraw/zinc/19/82/36/169198236.db2.gz URRPTBKQFRZAHO-UHFFFAOYSA-N 1 0 187.246 1.374 50 0 in-vitro ADAARO [NH3+]CCc1ccc(-n2cccn2)cc1 9256933 169198291 /nfs/dbraw/zinc/19/82/91/169198291.db2.gz QVDPRDMFHSTLOH-UHFFFAOYSA-N 1 0 187.246 1.374 50 0 in-vitro ADAARO [NH3+]CCc1cccs1 154805 169198293 /nfs/dbraw/zinc/19/82/93/169198293.db2.gz HVLUYXIJZLDNIS-UHFFFAOYSA-N 1 0 127.212 1.249 50 0 ADAARO [NH3+]CCc1cccc(F)c1F 36888348 169198308 /nfs/dbraw/zinc/19/83/08/169198308.db2.gz WDHGQWFEKPJRJW-UHFFFAOYSA-N 1 0 157.163 1.466 50 0 in-vitro ADAARO [NH3+]CCc1ccc2ncccc2c1 20247921 169198313 /nfs/dbraw/zinc/19/83/13/169198313.db2.gz YYEIDAZOLPDKNX-UHFFFAOYSA-N 1 0 172.231 1.736 50 0 ADAARO [NH3+]CCc1nc(-c2ccco2)cs1 11886654 169198531 /nfs/dbraw/zinc/19/85/31/169198531.db2.gz SOEKAOZXTXRPJP-UHFFFAOYSA-N 1 0 194.259 1.904 50 0 ADAARO [NH3+]CCc1nc(-c2ccccc2)no1 3882682 169198551 /nfs/dbraw/zinc/19/85/51/169198551.db2.gz FDRQQRWVLQQGBK-UHFFFAOYSA-N 1 0 189.218 1.238 50 0 in-vitro ADAARO [NH3+]CCc1coc2ccccc12 12370256 169198666 /nfs/dbraw/zinc/19/86/66/169198666.db2.gz NEHYFMQXSNIAMZ-UHFFFAOYSA-N 1 0 161.204 1.934 50 0 in-vitro ADAARO [NH3+]CCc1ccsc1 12404742 169198823 /nfs/dbraw/zinc/19/88/23/169198823.db2.gz OANLWIQYRRVBPY-UHFFFAOYSA-N 1 0 127.212 1.249 50 0 in-vitro ADAARO [NH3+]CCc1c[nH]c2ncccc12 6093699 169198857 /nfs/dbraw/zinc/19/88/57/169198857.db2.gz CSBXAJWXUYDUTM-UHFFFAOYSA-N 1 0 161.208 1.016 50 0 ADAARO [NH3+]CCc1cnn(-c2ccccc2)c1 4384272 169198903 /nfs/dbraw/zinc/19/89/03/169198903.db2.gz XCVXHLSNYSXXEO-UHFFFAOYSA-N 1 0 187.246 1.374 50 0 in-vitro ADAARO [NH3+]CCc1cnc2ccccc2c1 38549192 169198982 /nfs/dbraw/zinc/19/89/82/169198982.db2.gz QECIVNFEWUNEPX-UHFFFAOYSA-N 1 0 172.231 1.736 50 0 ADAARO [NH3+]CCc1cn2cc(Cl)ccc2n1 11919480 169199000 /nfs/dbraw/zinc/19/90/00/169199000.db2.gz RZQHRCFVCAUBIG-UHFFFAOYSA-N 1 0 195.653 1.489 50 0 in-vitro ADAARO [NH3+]CCc1nc(C(F)(F)F)cs1 3708396 169199084 /nfs/dbraw/zinc/19/90/84/169199084.db2.gz UUQGMRVOPDQCHI-UHFFFAOYSA-N 1 0 196.197 1.663 50 0 in-vitro ADAARO [NH3+]CCc1n[nH]c2ccccc12 44399250 169199150 /nfs/dbraw/zinc/19/91/50/169199150.db2.gz YTADWSDGULTVBB-UHFFFAOYSA-N 1 0 161.208 1.064 50 0 in-vitro ADAARO [NH3+]CCc1coc(-c2ccccc2)n1 19408293 169199204 /nfs/dbraw/zinc/19/92/04/169199204.db2.gz BWSFNBUVKPIXTH-UHFFFAOYSA-N 1 0 188.230 1.843 50 0 ADAARO [NH3+]CCc1nc(C2CCCC2)no1 37756547 169199245 /nfs/dbraw/zinc/19/92/45/169199245.db2.gz UXPRTEZOOXGUQZ-UHFFFAOYSA-N 1 0 181.239 1.228 50 0 ADAARO [NH3+]CCc1cn(-c2ccccc2)cn1 82530004 169199277 /nfs/dbraw/zinc/19/92/77/169199277.db2.gz ZERZLWVYUXHTAZ-UHFFFAOYSA-N 1 0 187.246 1.374 50 0 ADAARO [NH3+]CCc1nc(-c2cccs2)no1 8729349 169199293 /nfs/dbraw/zinc/19/92/93/169199293.db2.gz GMVSRQXVYJAAPY-UHFFFAOYSA-N 1 0 195.247 1.299 50 0 ADAARO [NH3+]CCc1csc(N2CCCC2)n1 20185218 169199331 /nfs/dbraw/zinc/19/93/31/169199331.db2.gz YJQMXQDBUPFSBV-UHFFFAOYSA-N 1 0 197.307 1.245 50 0 in-vitro ADAARO [NH3+]CCc1ccnc2ccccc12 34925632 169199356 /nfs/dbraw/zinc/19/93/56/169199356.db2.gz LNBWQLAZKFUBSU-UHFFFAOYSA-N 1 0 172.231 1.736 50 0 in-vitro ADAARO [NH3+]CCc1ccsc1Cl 83269498 169199501 /nfs/dbraw/zinc/19/95/01/169199501.db2.gz XMXPGBVBKJSPTQ-UHFFFAOYSA-N 1 0 161.657 1.903 50 0 ADAARO [NH3+]CCc1c[nH]nc1-c1ccccc1 26546395 169199538 /nfs/dbraw/zinc/19/95/38/169199538.db2.gz KWJCXKFBNKODNU-UHFFFAOYSA-N 1 0 187.246 1.578 50 0 ADAARO [NH3+]CCc1nc2cc(F)ccc2o1 33420192 169199846 /nfs/dbraw/zinc/19/98/46/169199846.db2.gz WYFWALGOHDUGNZ-UHFFFAOYSA-N 1 0 180.182 1.468 50 0 in-vitro ADAARO [NH3+]CCc1nc2cc(F)c(F)cc2[nH]1 35412296 169199878 /nfs/dbraw/zinc/19/98/78/169199878.db2.gz YQCIBXFRZZFWPY-UHFFFAOYSA-N 1 0 197.188 1.342 50 0 ADAARO [NH3+]CCc1nc2cc(F)ccc2s1 37205147 169199945 /nfs/dbraw/zinc/19/99/45/169199945.db2.gz SWMGULDQJVXPTD-UHFFFAOYSA-N 1 0 196.250 1.937 50 0 in-vitro ADAARO [NH3+]CCc1noc2ccccc12 82632524 169200010 /nfs/dbraw/zinc/20/00/10/169200010.db2.gz RZYHISJCGQYICX-UHFFFAOYSA-N 1 0 162.192 1.329 50 0 ADAARO [NH3+]CCc1nc2cc(F)ccc2[nH]1 11567869 169200205 /nfs/dbraw/zinc/20/02/05/169200205.db2.gz DXRBTOABNFRJTK-UHFFFAOYSA-N 1 0 179.198 1.203 50 0 in-vitro ADAARO [NH3+]CCc1[nH]cnc1-c1cccs1 31891460 169200220 /nfs/dbraw/zinc/20/02/20/169200220.db2.gz IETGAJJKNNRANH-UHFFFAOYSA-N 1 0 193.275 1.639 50 0 ADAARO [NH3+]CCc1nnc(-c2ccccc2)o1 11585750 169200261 /nfs/dbraw/zinc/20/02/61/169200261.db2.gz NILJMXPWRIBPKC-UHFFFAOYSA-N 1 0 189.218 1.238 50 0 in-vitro ADAARO [NH3+]CCc1noc(-c2ccccc2)n1 8729361 169200385 /nfs/dbraw/zinc/20/03/85/169200385.db2.gz LJMZXFYUBAAYIR-UHFFFAOYSA-N 1 0 189.218 1.238 50 0 in-vitro ADAARO [NH3+]CCc1nsc2ccccc12 38673575 169200401 /nfs/dbraw/zinc/20/04/01/169200401.db2.gz COWCCYRORCGHQJ-UHFFFAOYSA-N 1 0 178.260 1.798 50 0 ADAARO [NH3+]CCc1nccc(-c2ccccc2)n1 19089257 169200542 /nfs/dbraw/zinc/20/05/42/169200542.db2.gz XGKUBUPOXLTBPF-UHFFFAOYSA-N 1 0 199.257 1.645 50 0 ADAARO [NH3+]CCc1nc2c(s1)CCCCC2 3708182 169200563 /nfs/dbraw/zinc/20/05/63/169200563.db2.gz GMFXZLQUQSPZCK-UHFFFAOYSA-N 1 0 196.319 1.913 50 0 ADAARO [NH3+]CCc1nc2ccc(Cl)cc2o1 74240757 169200604 /nfs/dbraw/zinc/20/06/04/169200604.db2.gz IYBKHVWKIAHIKT-UHFFFAOYSA-N 1 0 196.637 1.982 50 0 ADAARO [NH3+]CCc1nc2cc(O)ccc2o1 82397929 169200613 /nfs/dbraw/zinc/20/06/13/169200613.db2.gz UMGMXVNSSQXPMM-UHFFFAOYSA-N 1 0 178.191 1.035 50 0 ADAARO [NH3+]CCc1noc(C2CCCC2)n1 41062011 169200714 /nfs/dbraw/zinc/20/07/14/169200714.db2.gz VBEBAQBCSWGMAR-UHFFFAOYSA-N 1 0 181.239 1.228 50 0 in-vitro ADAARO [NH3+]CCc1nccn1-c1ccccc1 71500056 169200716 /nfs/dbraw/zinc/20/07/16/169200716.db2.gz ZQHNGYLHCJPTGG-UHFFFAOYSA-N 1 0 187.246 1.374 50 0 ADAARO [NH3+]CCc1nc(-c2ccccc2)c[nH]1 90225594 169200740 /nfs/dbraw/zinc/20/07/40/169200740.db2.gz HSNDOBKMAPOQBE-UHFFFAOYSA-N 1 0 187.246 1.578 50 0 ADAARO [NH3+]CCc1nc2c(s1)CCC2 11886680 169200803 /nfs/dbraw/zinc/20/08/03/169200803.db2.gz GANVHFMPFZZVEM-UHFFFAOYSA-N 1 0 168.265 1.133 50 0 ADAARO [NH3+]CCc1nc2cc(Cl)ccc2[nH]1 4244024 169200824 /nfs/dbraw/zinc/20/08/24/169200824.db2.gz WKDCEGOIWKEIGY-UHFFFAOYSA-N 1 0 195.653 1.718 50 0 ADAARO [NH3+]CCc1nc2ccccc2[nH]1 80438 169200847 /nfs/dbraw/zinc/20/08/47/169200847.db2.gz GJEPMYMUORZPMP-UHFFFAOYSA-N 1 0 161.208 1.064 50 0 in-vitro ADAARO [NH3+]CCc1nc2cccc(Cl)c2o1 34925136 169200859 /nfs/dbraw/zinc/20/08/59/169200859.db2.gz RIIOXUOPBHEYBP-UHFFFAOYSA-N 1 0 196.637 1.982 50 0 in-vitro ADAARO [NH3+]CCc1nc2c(s1)CCCC2 3708183 169200864 /nfs/dbraw/zinc/20/08/64/169200864.db2.gz BDCAMWDLMRVNQN-UHFFFAOYSA-N 1 0 182.292 1.523 50 0 in-vitro ADAARO [NH3+]CCc1nc2cc(Cl)ccc2o1 33420193 169200867 /nfs/dbraw/zinc/20/08/67/169200867.db2.gz DRZOLCMPBBJILT-UHFFFAOYSA-N 1 0 196.637 1.982 50 0 in-vitro ADAARO [NH3+]CCc1nc2ccccc2s1 4206910 169200878 /nfs/dbraw/zinc/20/08/78/169200878.db2.gz HLTRQIYNHRBUNW-UHFFFAOYSA-N 1 0 178.260 1.798 50 0 ADAARO [NH3+]CCc1nc2ccc(F)cc2s1 31895041 169200938 /nfs/dbraw/zinc/20/09/38/169200938.db2.gz SYYGFKBEXGNZLQ-UHFFFAOYSA-N 1 0 196.250 1.937 50 0 ADAARO [NH3+]CCc1nc2ccccc2o1 19093439 169201003 /nfs/dbraw/zinc/20/10/03/169201003.db2.gz JZCFAEORPFKPGL-UHFFFAOYSA-N 1 0 162.192 1.329 50 0 in-vitro ADAARO [NH3+]CCn1ccnc1-c1ccccc1 12953707 169201185 /nfs/dbraw/zinc/20/11/85/169201185.db2.gz ZVHZLDXOWVXOEF-UHFFFAOYSA-N 1 0 187.246 1.509 50 0 ADAARO [NH3+]CCn1cnc2cc(Cl)ccc21 39280030 169201248 /nfs/dbraw/zinc/20/12/48/169201248.db2.gz YAMILBKZLVATHW-UHFFFAOYSA-N 1 0 195.653 1.648 50 0 ADAARO [NH3+]CCn1cc(-c2ccccc2)cn1 49806184 169201369 /nfs/dbraw/zinc/20/13/69/169201369.db2.gz KZNHYCKWIGFBOI-UHFFFAOYSA-N 1 0 187.246 1.509 50 0 ADAARO [NH3+]CCn1ccc(-c2ccccc2)n1 20313038 169201370 /nfs/dbraw/zinc/20/13/70/169201370.db2.gz XGJZYXZSZKPQKF-UHFFFAOYSA-N 1 0 187.246 1.509 50 0 ADAARO [NH3+]CCn1ccc2ccc(F)cc21 32500122 169201616 /nfs/dbraw/zinc/20/16/16/169201616.db2.gz FWGIPIRCZVJWPS-UHFFFAOYSA-N 1 0 178.210 1.739 50 0 ADAARO [NH3+]CCn1cncc1-c1ccccc1 82655665 169201781 /nfs/dbraw/zinc/20/17/81/169201781.db2.gz KQNRFJSBIABNPB-UHFFFAOYSA-N 1 0 187.246 1.509 50 0 ADAARO [NH3+]CCn1ccc2ccccc21 2022112 169201892 /nfs/dbraw/zinc/20/18/92/169201892.db2.gz BXEFQUSYBZYTAE-UHFFFAOYSA-N 1 0 160.220 1.600 50 0 in-vitro ADAARO [NH3+]C[C@@H](CCO)c1ccccc1 22113153 169202058 /nfs/dbraw/zinc/20/20/58/169202058.db2.gz BKZXXZZHXOYACN-SNVBAGLBSA-N 1 0 165.236 1.111 50 0 ADAARO [NH3+]C[C@@H](CCO)c1ccc(Cl)cc1 41210124 169202206 /nfs/dbraw/zinc/20/22/06/169202206.db2.gz LAVWBHLGJWNLJP-SECBINFHSA-N 1 0 199.681 1.765 50 0 ADAARO [NH3+]CCn1ccc(-c2cccs2)n1 72206332 169202273 /nfs/dbraw/zinc/20/22/73/169202273.db2.gz FGLAUZMWRWBBGS-UHFFFAOYSA-N 1 0 193.275 1.570 50 0 in-vitro ADAARO [NH3+]CCn1nc(C2CC2)cc1C1CC1 225521076 169202277 /nfs/dbraw/zinc/20/22/77/169202277.db2.gz ZQFZHEJHGUGFJC-UHFFFAOYSA-N 1 0 191.278 1.597 50 0 ADAARO [NH3+]C[C@@H](CO)c1ccc(Cl)cc1 38339083 169202646 /nfs/dbraw/zinc/20/26/46/169202646.db2.gz HNSXASSJRSGBHZ-QMMMGPOBSA-N 1 0 185.654 1.375 50 0 in-vitro ADAARO [NH3+]C[C@@H](CO)Cc1ccc(Cl)cc1 11978490 169202656 /nfs/dbraw/zinc/20/26/56/169202656.db2.gz VADAEETYCLIBDE-VIFPVBQESA-N 1 0 199.681 1.450 50 0 in-vitro ADAARO [NH3+]C[C@@H](F)c1ccccc1 39258263 169202658 /nfs/dbraw/zinc/20/26/58/169202658.db2.gz BNBAGEDGPDCSJP-MRVPVSSYSA-N 1 0 139.173 1.656 50 0 in-vitro ADAARO [NH3+]C[C@@H](CO)CC1CCCCC1 51689951 169202735 /nfs/dbraw/zinc/20/27/35/169202735.db2.gz ROHZSGGXVXGEAP-JTQLQIEISA-N 1 0 171.284 1.524 50 0 in-vitro ADAARO N[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 62709903 169202759 /nfs/dbraw/zinc/20/27/59/169202759.db2.gz XCQUUGAHDFWBHH-SSDOTTSWSA-N 1 0 190.168 1.062 50 0 in-vitro ADAARO [NH3+]C[C@@H](CO)CC1CCCC1 51690045 169202926 /nfs/dbraw/zinc/20/29/26/169202926.db2.gz VGNDMJNNNYAABM-VIFPVBQESA-N 1 0 157.257 1.134 50 0 in-vitro ADAARO [NH3+]C[C@@H](O)C12CC3CC(CC(C3)C1)C2 1514036 169202935 /nfs/dbraw/zinc/20/29/35/169202935.db2.gz GLCFWAYXPRBRNU-LTMLNTECSA-N 1 0 195.306 1.522 50 0 in-vitro ADAARO [NH3+]C[C@@H](CO)Cc1ccccc1Cl 11978473 169203181 /nfs/dbraw/zinc/20/31/81/169203181.db2.gz ZJCFZTZTDDOOES-QMMMGPOBSA-N 1 0 199.681 1.450 50 0 in-vitro ADAARO [NH3+]C[C@@H](CO)c1ccccc1Cl 59341709 169203442 /nfs/dbraw/zinc/20/34/42/169203442.db2.gz GEOBVXBWIQAFSR-ZETCQYMHSA-N 1 0 185.654 1.375 50 0 in-vitro ADAARO [NH3+]C[C@@H](CO)c1cccc(Cl)c1 71499718 169203590 /nfs/dbraw/zinc/20/35/90/169203590.db2.gz YGPBQEOFGNZSSO-QMMMGPOBSA-N 1 0 185.654 1.375 50 0 in-vitro ADAARO N[C@H](C[NH3+])c1ccc(Cl)cc1 35677136 169203592 /nfs/dbraw/zinc/20/35/92/169203592.db2.gz DYQPAVDDRLNLKW-MRVPVSSYSA-N 1 0 170.643 1.299 50 0 ADAARO N[C@H](C[NH3+])c1csc2ccccc12 54464079 169203693 /nfs/dbraw/zinc/20/36/93/169203693.db2.gz PGDBMRTYHJMUIT-SECBINFHSA-N 1 0 192.287 1.860 50 0 in-vitro ADAARO [NH3+]C[C@@H](O)CCCc1ccccc1 71497853 169203738 /nfs/dbraw/zinc/20/37/38/169203738.db2.gz XIWJYCOTNSNTJW-NSHDSACASA-N 1 0 179.263 1.329 50 0 ADAARO N[C@H](C[NH3+])c1ccc2ncccc2c1 44470393 169203956 /nfs/dbraw/zinc/20/39/56/169203956.db2.gz XEQWIGYDPOMOFT-SNVBAGLBSA-N 1 0 187.246 1.193 50 0 in-vitro ADAARO [NH3+]C[C@@H](CO)C1CCCCC1 34448854 169204031 /nfs/dbraw/zinc/20/40/31/169204031.db2.gz TVPNLQBXSZHBJT-VIFPVBQESA-N 1 0 157.257 1.134 50 0 in-vitro ADAARO [NH3+]C[C@@H](O)c1cccc2ccccc12 21949684 169204212 /nfs/dbraw/zinc/20/42/12/169204212.db2.gz FWBOVFYHCSVEKC-GFCCVEGCSA-N 1 0 187.242 1.832 50 0 in-vitro ADAARO [NH3+]C[C@@H](O)c1cccc(Cl)c1 2585994 169204229 /nfs/dbraw/zinc/20/42/29/169204229.db2.gz STJIXOUDTUPEEL-MRVPVSSYSA-N 1 0 171.627 1.332 50 0 in-vitro ADAARO [NH3+]C[C@@H](O)c1cc(F)cc(Cl)c1 84451761 169204378 /nfs/dbraw/zinc/20/43/78/169204378.db2.gz WWVLMQZEPQLMDP-MRVPVSSYSA-N 1 0 189.617 1.471 50 0 in-vitro ADAARO [NH3+]C[C@@H](O)c1csc2ccccc12 54462695 169204490 /nfs/dbraw/zinc/20/44/90/169204490.db2.gz YVNFKUXVZZRYSI-SECBINFHSA-N 1 0 193.271 1.893 50 0 ADAARO [NH3+]C[C@@H](O)c1ccccc1Cl 2513182 169204999 /nfs/dbraw/zinc/20/49/99/169204999.db2.gz HICFIEHMABUVLC-MRVPVSSYSA-N 1 0 171.627 1.332 50 0 in-vitro ADAARO [NH3+]C[C@@H](O)c1cc(F)c(F)c(F)c1 59700758 169205030 /nfs/dbraw/zinc/20/50/30/169205030.db2.gz JJASRZWXLGMVDJ-SSDOTTSWSA-N 1 0 191.152 1.096 50 0 ADAARO [NH3+]C[C@@H](O)c1ccc2ccccc2c1 169985 169205077 /nfs/dbraw/zinc/20/50/77/169205077.db2.gz PGJHAXAIVJIVSM-GFCCVEGCSA-N 1 0 187.242 1.832 50 0 in-vitro ADAARO [NH3+]C[C@@H](O)c1ccc(Cl)cc1 2513178 169205447 /nfs/dbraw/zinc/20/54/47/169205447.db2.gz QPHAZZJNYDEVHL-MRVPVSSYSA-N 1 0 171.627 1.332 50 0 in-vitro ADAARO [NH3+]C[C@@H](OC1CCCC1)C(F)(F)F 37169888 169205457 /nfs/dbraw/zinc/20/54/57/169205457.db2.gz KLIHMQYILBXQAC-SSDOTTSWSA-N 1 0 197.200 1.835 50 0 in-vitro ADAARO [NH3+]C[C@@H](O)c1ccnc2ccccc12 2525315 169205636 /nfs/dbraw/zinc/20/56/36/169205636.db2.gz MNGZCIYMAKPCDV-LLVKDONJSA-N 1 0 188.230 1.227 50 0 ADAARO [NH3+]C[C@@H]1CCCC1(F)F 84302838 169206005 /nfs/dbraw/zinc/20/60/05/169206005.db2.gz MKRMIWGEPCWIBY-YFKPBYRVSA-N 1 0 135.157 1.381 50 0 ADAARO [NH3+]C[C@@H]1CC=CCC1 20083468 169206090 /nfs/dbraw/zinc/20/60/90/169206090.db2.gz DNTZUCRLOISRPR-SSDOTTSWSA-N 1 0 111.188 1.301 50 0 ADAARO [NH3+]C[C@@H]1CCCC12CC2 82411440 169206113 /nfs/dbraw/zinc/20/61/13/169206113.db2.gz XOVRPPMULXURNU-ZETCQYMHSA-N 1 0 125.215 1.525 50 0 ADAARO [NH3+]C[C@@H]1CCC2(CCCCC2)O1 97054017 169206197 /nfs/dbraw/zinc/20/61/97/169206197.db2.gz GGRYYUQDXUIJAT-VIFPVBQESA-N 1 0 169.268 1.827 50 0 in-vitro ADAARO [NH3+]C[C@@H](c1ccco1)N1CCCCC1 19362027 169206210 /nfs/dbraw/zinc/20/62/10/169206210.db2.gz PZAFITNXUAYSNP-JTQLQIEISA-N 1 0 194.278 1.765 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CC(=O)Nc2ccccc21 57935917 169206290 /nfs/dbraw/zinc/20/62/90/169206290.db2.gz ZJMZHOMUFKQBLT-ZETCQYMHSA-N 1 0 176.219 1.071 50 0 in-vitro ADAARO [NH3+]C[C@H]1C[C@@]12CCc1ccccc12 54587729 169216977 /nfs/dbraw/zinc/21/69/77/169216977.db2.gz HQMCNIGJEVYPGW-PWSUYJOCSA-N 1 0 173.259 1.849 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CC1(Cl)Cl 4204747 169206366 /nfs/dbraw/zinc/20/63/66/169206366.db2.gz AZJBFYHLWRPAIH-VKHMYHEASA-N 1 0 140.013 1.139 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CC12CCCCC2 19087906 169206377 /nfs/dbraw/zinc/20/63/77/169206377.db2.gz FTLWLXATYUQMKU-QMMMGPOBSA-N 1 0 139.242 1.916 50 0 ADAARO [NH3+]C[C@@H]1CC12CCC2 82828825 169206389 /nfs/dbraw/zinc/20/63/89/169206389.db2.gz AXGWNLXMFBOMDZ-LURJTMIESA-N 1 0 111.188 1.135 50 0 ADAARO [NH3+]C[C@@H](c1cccnc1)N1CCCC1 38860401 169206433 /nfs/dbraw/zinc/20/64/33/169206433.db2.gz QOOLXOSOSUGZJN-NSHDSACASA-N 1 0 191.278 1.177 50 0 in-vitro ADAARO NC[C@@H](c1ccccc1)[NH+]1CCCC1 95483744 169206481 /nfs/dbraw/zinc/20/64/81/169206481.db2.gz DIFGFCHLYHBEMH-LBPRGKRZSA-N 1 0 190.290 1.782 50 0 in-vitro ADAARO [NH3+]C[C@@H](c1cccnc1)c1ccc[nH]1 71500021 169206600 /nfs/dbraw/zinc/20/66/00/169206600.db2.gz OMALABKMICUGQR-JTQLQIEISA-N 1 0 187.246 1.500 50 0 ADAARO [NH3+]C[C@@H]1CCCCC1(F)F 95829027 169206742 /nfs/dbraw/zinc/20/67/42/169206742.db2.gz HLJRGNKZIZLKPY-LURJTMIESA-N 1 0 149.184 1.771 50 0 ADAARO [NH3+]C[C@@H]1CC2CCC1CC2 4802163 169206840 /nfs/dbraw/zinc/20/68/40/169206840.db2.gz BJKYXIYHGINFPX-HACHORDNSA-N 1 0 139.242 1.771 50 0 ADAARO [NH3+]C[C@@H]1CC(=O)c2ccccc21 58517826 169206844 /nfs/dbraw/zinc/20/68/44/169206844.db2.gz APNLOAXYKCXSOI-ZETCQYMHSA-N 1 0 161.204 1.315 50 0 ADAARO [NH3+]C[C@@H]1CCC(F)(F)C1 84239539 169206870 /nfs/dbraw/zinc/20/68/70/169206870.db2.gz MBNJAGKPJGONBM-RXMQYKEDSA-N 1 0 135.157 1.381 50 0 in-vitro ADAARO [NH3+]C[C@@H](c1ccco1)N1CCCC1 19230091 169206874 /nfs/dbraw/zinc/20/68/74/169206874.db2.gz UYQVLFHSKHZNKC-VIFPVBQESA-N 1 0 180.251 1.375 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCCC[C@@H]1F 95829071 169206889 /nfs/dbraw/zinc/20/68/89/169206889.db2.gz CGUKMUGMCFSIDE-BQBZGAKWSA-N 1 0 131.194 1.473 50 0 ADAARO [NH3+]C[C@@H]1CCCC(F)(F)C1 84239533 169206907 /nfs/dbraw/zinc/20/69/07/169206907.db2.gz KUHHSYYOTFOMJB-ZCFIWIBFSA-N 1 0 149.184 1.771 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CC12CCSCC2 54587869 169207044 /nfs/dbraw/zinc/20/70/44/169207044.db2.gz DEADULMKYIJVKW-ZETCQYMHSA-N 1 0 157.282 1.478 50 0 ADAARO [NH3+]C[C@@H]1CCCCN1CC(F)F 37756102 169207063 /nfs/dbraw/zinc/20/70/63/169207063.db2.gz CRLGUINHMKTXIG-ZETCQYMHSA-N 1 0 178.226 1.065 50 0 ADAARO [NH3+]C[C@@H](c1ccsc1)n1cccn1 43124084 169207100 /nfs/dbraw/zinc/20/71/00/169207100.db2.gz NQVJDCMYNBTPHY-VIFPVBQESA-N 1 0 193.275 1.493 50 0 ADAARO [NH3+]C[C@@H](c1cccs1)N1CCCC1 19735775 169207136 /nfs/dbraw/zinc/20/71/36/169207136.db2.gz HZLMJMYZCMEADV-VIFPVBQESA-N 1 0 196.319 1.844 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCCCS1 84303547 169207164 /nfs/dbraw/zinc/20/71/64/169207164.db2.gz VLEJBHDPGPXFNH-LURJTMIESA-N 1 0 131.244 1.231 50 0 in-vitro ADAARO [NH3+]C[C@@H](c1ccncc1)c1ccc[nH]1 71500031 169207165 /nfs/dbraw/zinc/20/71/65/169207165.db2.gz NVGDTKNLXDPTID-JTQLQIEISA-N 1 0 187.246 1.500 50 0 ADAARO [NH3+]C[C@@H](c1ccsc1)N1CCCC1 22178552 169207210 /nfs/dbraw/zinc/20/72/10/169207210.db2.gz ARMCXCSVTGOSHX-JTQLQIEISA-N 1 0 196.319 1.844 50 0 ADAARO [NH3+]C[C@@H](c1ccccc1)c1ncc[nH]1 61613844 169207216 /nfs/dbraw/zinc/20/72/16/169207216.db2.gz JGIPIESFTIMDNY-JTQLQIEISA-N 1 0 187.246 1.500 50 0 ADAARO [NH3+]C[C@@H]1CCCc2cccnc21 78885447 169207433 /nfs/dbraw/zinc/20/74/33/169207433.db2.gz HIJYDESWTDPRNF-VIFPVBQESA-N 1 0 162.236 1.460 50 0 ADAARO [NH3+]C[C@@H]1CCN(c2ccc(F)cc2)C1 11891579 169207435 /nfs/dbraw/zinc/20/74/35/169207435.db2.gz GFKMUGMDHUMQAM-VIFPVBQESA-N 1 0 194.253 1.611 50 0 in-vitro ADAARO NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 90225632 169207533 /nfs/dbraw/zinc/20/75/33/169207533.db2.gz BCXIHNPGQKJBMF-LBPRGKRZSA-N 1 0 196.338 1.990 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCC[C@H]1C1CC1 87939430 169207541 /nfs/dbraw/zinc/20/75/41/169207541.db2.gz GQTMKFMHYDYLFS-IUCAKERBSA-N 1 0 139.242 1.771 50 0 ADAARO [NH3+]C[C@@H]1CCCSC1 82410985 169207589 /nfs/dbraw/zinc/20/75/89/169207589.db2.gz OOPUJNBROMPJLB-LURJTMIESA-N 1 0 131.244 1.088 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCCN1Cc1ccccn1 95072846 169207703 /nfs/dbraw/zinc/20/77/03/169207703.db2.gz IBWKACOHLOFKID-NSHDSACASA-N 1 0 191.278 1.005 50 0 ADAARO [NH3+]C[C@@H]1CCCN1Cc1ccccc1 22910092 169207714 /nfs/dbraw/zinc/20/77/14/169207714.db2.gz OEYAFMGVIFWPQI-LBPRGKRZSA-N 1 0 190.290 1.610 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCC[C@H]1F 95829050 169207731 /nfs/dbraw/zinc/20/77/31/169207731.db2.gz IWXBLMSYJDSAIL-NTSWFWBYSA-N 1 0 117.167 1.083 50 0 ADAARO [NH3+]C[C@@H]1CCN(c2cccc(F)c2)C1 11891727 169207738 /nfs/dbraw/zinc/20/77/38/169207738.db2.gz UBVVTRXMBZDJIL-VIFPVBQESA-N 1 0 194.253 1.611 50 0 ADAARO [NH3+]C[C@@H]1CCCSCC1 82408997 169207739 /nfs/dbraw/zinc/20/77/39/169207739.db2.gz GYGLXFLPUMGVGT-SSDOTTSWSA-N 1 0 145.271 1.478 50 0 ADAARO NC[C@@H]1CCC[N@@H+]1C1CCCCC1 39318919 169207760 /nfs/dbraw/zinc/20/77/60/169207760.db2.gz FWZCSDNSXJJNLH-NSHDSACASA-N 1 0 182.311 1.742 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCCN(Cc2ccco2)C1 38534334 169207799 /nfs/dbraw/zinc/20/77/99/169207799.db2.gz NRNLTSHXEJITJL-JTQLQIEISA-N 1 0 194.278 1.450 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCCN1c1ccccc1 33893002 169207870 /nfs/dbraw/zinc/20/78/70/169207870.db2.gz KNUMXWVUUOXOFF-NSHDSACASA-N 1 0 176.263 1.614 50 0 ADAARO [NH3+]C[C@@H]1CCN1Cc1ccccc1 32629433 169207880 /nfs/dbraw/zinc/20/78/80/169207880.db2.gz VEWIYLBNEGSCTO-NSHDSACASA-N 1 0 176.263 1.220 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCNc2ccccc21 66352197 169208012 /nfs/dbraw/zinc/20/80/12/169208012.db2.gz RXKPYLHJAFBRGA-QMMMGPOBSA-N 1 0 162.236 1.545 50 0 ADAARO [NH3+]C[C@@H]1CCC[C@H](F)C1 95829070 169208211 /nfs/dbraw/zinc/20/82/11/169208211.db2.gz WUFAQPHIHBJLDD-RQJHMYQMSA-N 1 0 131.194 1.473 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCC[C@@H](F)C1 95829068 169208230 /nfs/dbraw/zinc/20/82/30/169208230.db2.gz WUFAQPHIHBJLDD-RNFRBKRXSA-N 1 0 131.194 1.473 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCC[C@@H]1C1CC1 87939436 169208266 /nfs/dbraw/zinc/20/82/66/169208266.db2.gz GQTMKFMHYDYLFS-DTWKUNHWSA-N 1 0 139.242 1.771 50 0 ADAARO [NH3+]C[C@@H]1CCCC[C@H]1F 95829072 169208309 /nfs/dbraw/zinc/20/83/09/169208309.db2.gz CGUKMUGMCFSIDE-NKWVEPMBSA-N 1 0 131.194 1.473 50 0 ADAARO [NH3+]C[C@@H]1CCOC2(CCC2)C1 74342662 169208669 /nfs/dbraw/zinc/20/86/69/169208669.db2.gz QDOLICQFKUYSJC-MRVPVSSYSA-N 1 0 155.241 1.294 50 0 ADAARO [NH3+]C[C@@H]1CCN(c2ccccc2F)C1 11891571 169208826 /nfs/dbraw/zinc/20/88/26/169208826.db2.gz FJDASTFCBOZLJP-VIFPVBQESA-N 1 0 194.253 1.611 50 0 ADAARO [NH3+]C[C@@H]1CCN(c2ccccc2)C1 11891477 169208852 /nfs/dbraw/zinc/20/88/52/169208852.db2.gz YOYVLKMGXMXKMP-JTQLQIEISA-N 1 0 176.263 1.472 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCCN(CC(F)(F)F)C1 19843426 169208892 /nfs/dbraw/zinc/20/88/92/169208892.db2.gz SYOPGCUQZUNUSC-ZETCQYMHSA-N 1 0 196.216 1.219 50 0 ADAARO [NH3+]C[C@@H]1COC2(CCCCC2)O1 20264033 169209506 /nfs/dbraw/zinc/20/95/06/169209506.db2.gz FHXNYYFOSMSGPE-MRVPVSSYSA-N 1 0 171.240 1.021 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCc2ccccc21 24316917 169209533 /nfs/dbraw/zinc/20/95/33/169209533.db2.gz QBHALBZXAXQBOY-VIFPVBQESA-N 1 0 147.221 1.675 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CC[C@H](c2ccccc2)O1 35837234 169209546 /nfs/dbraw/zinc/20/95/46/169209546.db2.gz IAIACGGIZWXQIK-WDEREUQCSA-N 1 0 177.247 1.865 50 0 in-vivo ADAARO [NH3+]C[C@@H]1C[C@@H]1C1CCCC1 54587179 169209559 /nfs/dbraw/zinc/20/95/59/169209559.db2.gz YFLAMYKPDOARSX-DTWKUNHWSA-N 1 0 139.242 1.771 50 0 ADAARO [NH3+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1 70627308 169209576 /nfs/dbraw/zinc/20/95/76/169209576.db2.gz CZRSRGHNHYPTDU-ONGXEEELSA-N 1 0 195.237 1.862 50 0 ADAARO [NH3+]C[C@@H]1CCc2ccccc2N1 22172972 169209591 /nfs/dbraw/zinc/20/95/91/169209591.db2.gz NBDSHMSFKIDUPF-VIFPVBQESA-N 1 0 162.236 1.372 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCc2cccnc21 24317318 169209626 /nfs/dbraw/zinc/20/96/26/169209626.db2.gz UAXNMFRKSKITGS-QMMMGPOBSA-N 1 0 148.209 1.070 50 0 ADAARO [NH3+]C[C@@H]1CN(c2cccs2)C(=O)O1 82384497 169209648 /nfs/dbraw/zinc/20/96/48/169209648.db2.gz KNJHGUYTTOSOAR-ZCFIWIBFSA-N 1 0 198.247 1.032 50 0 ADAARO [NH3+]C[C@@H]1CSc2ccccc21 84330660 169209666 /nfs/dbraw/zinc/20/96/66/169209666.db2.gz HGVCZXNKQGIFPG-SSDOTTSWSA-N 1 0 165.261 1.835 50 0 ADAARO [NH3+]C[C@@H]1CCOc2ccccc21 37245772 169209675 /nfs/dbraw/zinc/20/96/75/169209675.db2.gz XGFJPMBRXFFNAH-QMMMGPOBSA-N 1 0 163.220 1.511 50 0 in-vitro ADAARO [NH3+]C[C@@H]1COc2ccccc21 24320038 169209694 /nfs/dbraw/zinc/20/96/94/169209694.db2.gz WUVYUJQJHJGINF-SSDOTTSWSA-N 1 0 149.193 1.121 50 0 in-vitro ADAARO [NH3+]C[C@@H]1COC2(CCCCCC2)O1 95218324 169209850 /nfs/dbraw/zinc/20/98/50/169209850.db2.gz JFFSUNVERFVALC-SECBINFHSA-N 1 0 185.267 1.411 50 0 in-vitro ADAARO [NH3+]C[C@@H]1COc2ccccc2C1 4207369 169209885 /nfs/dbraw/zinc/20/98/85/169209885.db2.gz CLWNCRSSFMSHDL-MRVPVSSYSA-N 1 0 163.220 1.196 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CC[C@@H](F)C1 95829044 169209946 /nfs/dbraw/zinc/20/99/46/169209946.db2.gz ZBFGGIJQWMXVBW-PHDIDXHHSA-N 1 0 117.167 1.083 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CC[C@H](F)C1 95829042 169209963 /nfs/dbraw/zinc/20/99/63/169209963.db2.gz ZBFGGIJQWMXVBW-RITPCOANSA-N 1 0 117.167 1.083 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCO[C@H]1c1ccccc1 68576402 169209974 /nfs/dbraw/zinc/20/99/74/169209974.db2.gz YGPJNIXEJJPHPZ-QWRGUYRKSA-N 1 0 177.247 1.723 50 0 ADAARO [NH3+]C[C@@H]1CNc2ccccc21 24319170 169210014 /nfs/dbraw/zinc/21/00/14/169210014.db2.gz RHXLQEOIUNXHAP-SSDOTTSWSA-N 1 0 148.209 1.154 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCc2ccccc2C1 34726688 169210107 /nfs/dbraw/zinc/21/01/07/169210107.db2.gz WKQAFPKAFXIRCK-SECBINFHSA-N 1 0 161.248 1.750 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCc2ccccc2O1 2387103 169210109 /nfs/dbraw/zinc/21/01/09/169210109.db2.gz BSRHATGBRQMDRF-VIFPVBQESA-N 1 0 163.220 1.339 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CC[C@@H](c2ccccc2)O1 35837231 169210180 /nfs/dbraw/zinc/21/01/80/169210180.db2.gz IAIACGGIZWXQIK-QWRGUYRKSA-N 1 0 177.247 1.865 50 0 in-vivo ADAARO [NH3+]C[C@@H]1Cc2cc(Cl)ccc2O1 5844444 169210441 /nfs/dbraw/zinc/21/04/41/169210441.db2.gz AICZCYWRASYRJI-QMMMGPOBSA-N 1 0 183.638 1.602 50 0 ADAARO [NH3+]C[C@@H]1C[C@@H]2C=C[C@H]1C2 12404535 169210460 /nfs/dbraw/zinc/21/04/60/169210460.db2.gz XLBALIGLOMYEKN-CSMHCCOUSA-N 1 0 123.199 1.157 50 0 ADAARO [NH3+]C[C@@H]1C[C@H]1c1ccc(F)cc1 34893380 169210588 /nfs/dbraw/zinc/21/05/88/169210588.db2.gz SXEBSKUYTZWGJC-WPRPVWTQSA-N 1 0 165.211 1.888 50 0 ADAARO [NH3+]C[C@@H]1C[C@H]1Cc1ccccc1 54587909 169210605 /nfs/dbraw/zinc/21/06/05/169210605.db2.gz JSQJWNFJQOUANU-MNOVXSKESA-N 1 0 161.248 1.824 50 0 ADAARO [NH3+]C[C@@H]1Cc2ccccc2CO1 90394394 169210648 /nfs/dbraw/zinc/21/06/48/169210648.db2.gz MMZKPTNDPNDNKS-JTQLQIEISA-N 1 0 163.220 1.087 50 0 ADAARO [NH3+]C[C@@H]1C[C@H]1C1CCOCC1 54588228 169210655 /nfs/dbraw/zinc/21/06/55/169210655.db2.gz AXSNFTMZHHKYGS-IUCAKERBSA-N 1 0 155.241 1.008 50 0 ADAARO [NH3+]C[C@@H]1C[C@H]1c1ccccc1 29480846 169210665 /nfs/dbraw/zinc/21/06/65/169210665.db2.gz ATTLDOZXPZCOGK-UWVGGRQHSA-N 1 0 147.221 1.749 50 0 in-vitro ADAARO [NH3+]C[C@@H]1Cc2ccccc21 24153452 169210669 /nfs/dbraw/zinc/21/06/69/169210669.db2.gz UOQNRKZMXTYCNA-QMMMGPOBSA-N 1 0 133.194 1.285 50 0 in-vitro ADAARO [NH3+]C[C@@H]1C[C@H]1c1cccnc1 41167083 169210672 /nfs/dbraw/zinc/21/06/72/169210672.db2.gz KPOWGBCVHDCUKP-IUCAKERBSA-N 1 0 148.209 1.144 50 0 ADAARO [NH3+]C[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 306695518 169210771 /nfs/dbraw/zinc/21/07/71/169210771.db2.gz VEQCQTAJUJYZOB-FPFOFBBKSA-N 1 0 147.168 1.236 50 0 ADAARO [NH3+]C[C@@H]1C[C@H]1C1CCCC1 54587177 169210775 /nfs/dbraw/zinc/21/07/75/169210775.db2.gz YFLAMYKPDOARSX-IUCAKERBSA-N 1 0 139.242 1.771 50 0 ADAARO [NH3+]C[C@@H]1C[C@@]12CCc1ccccc12 54587734 169210778 /nfs/dbraw/zinc/21/07/78/169210778.db2.gz HQMCNIGJEVYPGW-JQWIXIFHSA-N 1 0 173.259 1.849 50 0 in-vitro ADAARO [NH3+]C[C@@H]1C[C@]12CCc1ccccc12 54587735 169210812 /nfs/dbraw/zinc/21/08/12/169210812.db2.gz HQMCNIGJEVYPGW-CMPLNLGQSA-N 1 0 173.259 1.849 50 0 in-vitro ADAARO [NH3+]C[C@@H]1C[C@@H]1c1cccc(F)c1 54561704 169210839 /nfs/dbraw/zinc/21/08/39/169210839.db2.gz ASHHTAGUESNAIP-WCBMZHEXSA-N 1 0 165.211 1.888 50 0 ADAARO [NH3+]C[C@@H]1C[C@@H]1c1ccccc1 13559958 169210843 /nfs/dbraw/zinc/21/08/43/169210843.db2.gz ATTLDOZXPZCOGK-VHSXEESVSA-N 1 0 147.221 1.749 50 0 in-vitro ADAARO [NH3+]C[C@@H]1C[C@H]1C(F)(F)F 95774490 169210846 /nfs/dbraw/zinc/21/08/46/169210846.db2.gz YBEXADVXCHNUQP-IUYQGCFVSA-N 1 0 139.120 1.144 50 0 ADAARO [NH3+]C[C@@H]1C[C@H]1c1cccc(F)c1 54561702 169210863 /nfs/dbraw/zinc/21/08/63/169210863.db2.gz ASHHTAGUESNAIP-WPRPVWTQSA-N 1 0 165.211 1.888 50 0 ADAARO [NH3+]C[C@@H]1C[C@@H]2CC[C@H]1C2 71792963 169210884 /nfs/dbraw/zinc/21/08/84/169210884.db2.gz HWMZHVLJBQTGOL-CSMHCCOUSA-N 1 0 125.215 1.381 50 0 ADAARO [NH3+]C[C@H](CCO)c1ccccc1 22113157 169211001 /nfs/dbraw/zinc/21/10/01/169211001.db2.gz BKZXXZZHXOYACN-JTQLQIEISA-N 1 0 165.236 1.111 50 0 ADAARO [NH3+]C[C@@]1(c2ccccc2)C[C@@H]1F 13559950 169211008 /nfs/dbraw/zinc/21/10/08/169211008.db2.gz UVDRNDBQMYYRKX-VHSXEESVSA-N 1 0 165.211 1.625 50 0 ADAARO [NH3+]C[C@H](CO)c1cccc(Cl)c1 71499720 169211060 /nfs/dbraw/zinc/21/10/60/169211060.db2.gz YGPBQEOFGNZSSO-MRVPVSSYSA-N 1 0 185.654 1.375 50 0 in-vitro ADAARO [NH3+]C[C@H](CO)Cc1ccc(Cl)cc1 11978497 169211142 /nfs/dbraw/zinc/21/11/42/169211142.db2.gz VADAEETYCLIBDE-SECBINFHSA-N 1 0 199.681 1.450 50 0 in-vitro ADAARO [NH3+]C[C@@]12CCC[C@@H]1C2 59159195 169211156 /nfs/dbraw/zinc/21/11/56/169211156.db2.gz FQNPNNZQNACGSV-RQJHMYQMSA-N 1 0 111.188 1.135 50 0 ADAARO [NH3+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 69386136 169211320 /nfs/dbraw/zinc/21/13/20/169211320.db2.gz LBZPPFQFWUNZAQ-RNFRBKRXSA-N 1 0 197.200 1.429 50 0 ADAARO [NH3+]C[C@H](CO)C1CCCCC1 34448856 169211330 /nfs/dbraw/zinc/21/13/30/169211330.db2.gz TVPNLQBXSZHBJT-SECBINFHSA-N 1 0 157.257 1.134 50 0 in-vitro ADAARO [NH3+]C[C@@]1(c2ccccc2)C[C@H]1F 13559951 169211342 /nfs/dbraw/zinc/21/13/42/169211342.db2.gz UVDRNDBQMYYRKX-NXEZZACHSA-N 1 0 165.211 1.625 50 0 ADAARO [NH3+]C[C@H](CO)CC1CCCCC1 51689952 169211624 /nfs/dbraw/zinc/21/16/24/169211624.db2.gz ROHZSGGXVXGEAP-SNVBAGLBSA-N 1 0 171.284 1.524 50 0 in-vitro ADAARO [NH3+]C[C@H](CCO)c1ccc(Cl)cc1 41210122 169211738 /nfs/dbraw/zinc/21/17/38/169211738.db2.gz LAVWBHLGJWNLJP-VIFPVBQESA-N 1 0 199.681 1.765 50 0 ADAARO [NH3+]C[C@H](CO)CC1CCCC1 51690046 169211797 /nfs/dbraw/zinc/21/17/97/169211797.db2.gz VGNDMJNNNYAABM-SECBINFHSA-N 1 0 157.257 1.134 50 0 in-vitro ADAARO [NH3+]C[C@H](CO)c1ccccc1Cl 59341711 169212003 /nfs/dbraw/zinc/21/20/03/169212003.db2.gz GEOBVXBWIQAFSR-SSDOTTSWSA-N 1 0 185.654 1.375 50 0 in-vitro ADAARO [NH3+]C[C@H](CO)Cc1ccccc1Cl 11978477 169212026 /nfs/dbraw/zinc/21/20/26/169212026.db2.gz ZJCFZTZTDDOOES-MRVPVSSYSA-N 1 0 199.681 1.450 50 0 in-vitro ADAARO [NH3+]C[C@@]1(O)CCCc2ccccc21 2391811 169212033 /nfs/dbraw/zinc/21/20/33/169212033.db2.gz JPSHSGBMKXSDOR-NSHDSACASA-N 1 0 177.247 1.169 50 0 in-vitro ADAARO [NH3+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 69386133 169212082 /nfs/dbraw/zinc/21/20/82/169212082.db2.gz LBZPPFQFWUNZAQ-NKWVEPMBSA-N 1 0 197.200 1.429 50 0 ADAARO [NH3+]C[C@@]12CCCC[C@@H]1C2 76571201 169212089 /nfs/dbraw/zinc/21/20/89/169212089.db2.gz KPKYDJLJDIWODE-SFYZADRCSA-N 1 0 125.215 1.525 50 0 ADAARO [NH3+]C[C@H](CO)c1ccc(Cl)cc1 71499722 169212109 /nfs/dbraw/zinc/21/21/09/169212109.db2.gz HNSXASSJRSGBHZ-MRVPVSSYSA-N 1 0 185.654 1.375 50 0 in-vitro ADAARO [NH3+]C[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 104373698 169212120 /nfs/dbraw/zinc/21/21/20/169212120.db2.gz RYKCTCWOWSGKPH-CKIJPRSSSA-N 1 0 181.279 1.276 50 0 ADAARO [NH3+]C[C@H](F)c1ccccc1 39258264 169212132 /nfs/dbraw/zinc/21/21/32/169212132.db2.gz BNBAGEDGPDCSJP-QMMMGPOBSA-N 1 0 139.173 1.656 50 0 in-vitro ADAARO [NH3+]C[C@@]1(c2ccccc2)CC1(F)F 95215237 169212142 /nfs/dbraw/zinc/21/21/42/169212142.db2.gz MNLHPUYREGZHCN-SECBINFHSA-N 1 0 183.201 1.922 50 0 ADAARO N[C@@H](C[NH3+])c1ccc(Cl)cc1 35677137 169212229 /nfs/dbraw/zinc/21/22/29/169212229.db2.gz DYQPAVDDRLNLKW-QMMMGPOBSA-N 1 0 170.643 1.299 50 0 ADAARO N[C@@H](C[NH3+])c1csc2ccccc12 54464090 169212267 /nfs/dbraw/zinc/21/22/67/169212267.db2.gz PGDBMRTYHJMUIT-VIFPVBQESA-N 1 0 192.287 1.860 50 0 in-vitro ADAARO [NH3+]C[C@H](O)CCCc1ccccc1 71497855 169212396 /nfs/dbraw/zinc/21/23/96/169212396.db2.gz XIWJYCOTNSNTJW-LLVKDONJSA-N 1 0 179.263 1.329 50 0 ADAARO N[C@@H](C[NH3+])c1ccc2ncccc2c1 44470396 169212575 /nfs/dbraw/zinc/21/25/75/169212575.db2.gz XEQWIGYDPOMOFT-JTQLQIEISA-N 1 0 187.246 1.193 50 0 in-vitro ADAARO N[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 62709906 169212661 /nfs/dbraw/zinc/21/26/61/169212661.db2.gz XCQUUGAHDFWBHH-ZETCQYMHSA-N 1 0 190.168 1.062 50 0 in-vitro ADAARO [NH3+]C[C@H](O)C12CC3CC(CC(C3)C1)C2 4747614 169213293 /nfs/dbraw/zinc/21/32/93/169213293.db2.gz GLCFWAYXPRBRNU-CRCJWISWSA-N 1 0 195.306 1.522 50 0 in-vitro ADAARO [NH3+]C[C@H](O)c1c(F)cccc1Cl 11802891 169213833 /nfs/dbraw/zinc/21/38/33/169213833.db2.gz HXDRCSMKDPIXAA-ZETCQYMHSA-N 1 0 189.617 1.471 50 0 in-vitro ADAARO [NH3+]C[C@H](O)c1cc(F)cc(Cl)c1 84451763 169213841 /nfs/dbraw/zinc/21/38/41/169213841.db2.gz WWVLMQZEPQLMDP-QMMMGPOBSA-N 1 0 189.617 1.471 50 0 in-vitro ADAARO [NH3+]C[C@H](c1cccnc1)c1ccc[nH]1 71500023 169213848 /nfs/dbraw/zinc/21/38/48/169213848.db2.gz OMALABKMICUGQR-SNVBAGLBSA-N 1 0 187.246 1.500 50 0 ADAARO [NH3+]C[C@H](c1cccnc1)N1CCCC1 38860397 169213857 /nfs/dbraw/zinc/21/38/57/169213857.db2.gz QOOLXOSOSUGZJN-LLVKDONJSA-N 1 0 191.278 1.177 50 0 in-vitro ADAARO [NH3+]C[C@H](c1ccccc1)c1ncc[nH]1 61613843 169213862 /nfs/dbraw/zinc/21/38/62/169213862.db2.gz JGIPIESFTIMDNY-SNVBAGLBSA-N 1 0 187.246 1.500 50 0 ADAARO [NH3+]C[C@H](O)c1cccc(Cl)c1 2572500 169213864 /nfs/dbraw/zinc/21/38/64/169213864.db2.gz STJIXOUDTUPEEL-QMMMGPOBSA-N 1 0 171.627 1.332 50 0 in-vitro ADAARO [NH3+]C[C@H](O)c1ccnc2ccccc12 4240553 169213899 /nfs/dbraw/zinc/21/38/99/169213899.db2.gz MNGZCIYMAKPCDV-NSHDSACASA-N 1 0 188.230 1.227 50 0 ADAARO [NH3+]C[C@H](O)c1csc2ccccc12 54462699 169213928 /nfs/dbraw/zinc/21/39/28/169213928.db2.gz YVNFKUXVZZRYSI-VIFPVBQESA-N 1 0 193.271 1.893 50 0 ADAARO [NH3+]C[C@H](O)c1cc2ccccc2s1 4240052 169213969 /nfs/dbraw/zinc/21/39/69/169213969.db2.gz DBAUVLAWSVALIA-QMMMGPOBSA-N 1 0 193.271 1.893 50 0 in-vitro ADAARO [NH3+]C[C@H](O)c1ccc2ccccc2c1 169987 169213988 /nfs/dbraw/zinc/21/39/88/169213988.db2.gz PGJHAXAIVJIVSM-LBPRGKRZSA-N 1 0 187.242 1.832 50 0 in-vitro ADAARO NC[C@H](c1ccccc1)[NH+]1CCCC1 95483743 169214011 /nfs/dbraw/zinc/21/40/11/169214011.db2.gz DIFGFCHLYHBEMH-GFCCVEGCSA-N 1 0 190.290 1.782 50 0 in-vitro ADAARO [NH3+]C[C@H](OC1CCCC1)C(F)(F)F 37169887 169214018 /nfs/dbraw/zinc/21/40/18/169214018.db2.gz KLIHMQYILBXQAC-ZETCQYMHSA-N 1 0 197.200 1.835 50 0 in-vitro ADAARO [NH3+]C[C@H](O)c1cc(F)c(F)c(F)c1 59700759 169214022 /nfs/dbraw/zinc/21/40/22/169214022.db2.gz JJASRZWXLGMVDJ-ZETCQYMHSA-N 1 0 191.152 1.096 50 0 ADAARO [NH3+]C[C@H](O)c1cccc2ccccc12 21949686 169214055 /nfs/dbraw/zinc/21/40/55/169214055.db2.gz FWBOVFYHCSVEKC-LBPRGKRZSA-N 1 0 187.242 1.832 50 0 in-vitro ADAARO [NH3+]C[C@H](O)c1ccc(Cl)cc1 1671533 169214124 /nfs/dbraw/zinc/21/41/24/169214124.db2.gz QPHAZZJNYDEVHL-QMMMGPOBSA-N 1 0 171.627 1.332 50 0 in-vitro ADAARO [NH3+]C[C@H](O)c1ccc(Cl)s1 43256349 169214136 /nfs/dbraw/zinc/21/41/36/169214136.db2.gz UWHBZOSXJAJDEY-BYPYZUCNSA-N 1 0 177.656 1.394 50 0 in-vitro ADAARO [NH3+]C[C@H](O)c1ccccc1Cl 6095452 169214464 /nfs/dbraw/zinc/21/44/64/169214464.db2.gz HICFIEHMABUVLC-QMMMGPOBSA-N 1 0 171.627 1.332 50 0 in-vitro ADAARO [NH3+]C[C@H]1CC2CCC1CC2 1675633 169214667 /nfs/dbraw/zinc/21/46/67/169214667.db2.gz BJKYXIYHGINFPX-AMDVSUOASA-N 1 0 139.242 1.771 50 0 ADAARO [NH3+]C[C@H]1CC=CCC1 20083465 169214672 /nfs/dbraw/zinc/21/46/72/169214672.db2.gz DNTZUCRLOISRPR-ZETCQYMHSA-N 1 0 111.188 1.301 50 0 ADAARO [NH3+]C[C@H]1CCCN(CC(F)(F)F)C1 19843427 169214689 /nfs/dbraw/zinc/21/46/89/169214689.db2.gz SYOPGCUQZUNUSC-SSDOTTSWSA-N 1 0 196.216 1.219 50 0 ADAARO [NH3+]C[C@H](c1ccsc1)n1cccn1 43124085 169214753 /nfs/dbraw/zinc/21/47/53/169214753.db2.gz NQVJDCMYNBTPHY-SECBINFHSA-N 1 0 193.275 1.493 50 0 ADAARO [NH3+]C[C@H]1CCCC[C@H]1F 95829074 169214799 /nfs/dbraw/zinc/21/47/99/169214799.db2.gz CGUKMUGMCFSIDE-RNFRBKRXSA-N 1 0 131.194 1.473 50 0 ADAARO [NH3+]C[C@H](c1ccsc1)N1CCCC1 22178549 169214838 /nfs/dbraw/zinc/21/48/38/169214838.db2.gz ARMCXCSVTGOSHX-SNVBAGLBSA-N 1 0 196.319 1.844 50 0 ADAARO [NH3+]C[C@H]1CCCN(Cc2ccco2)C1 38534332 169214883 /nfs/dbraw/zinc/21/48/83/169214883.db2.gz NRNLTSHXEJITJL-SNVBAGLBSA-N 1 0 194.278 1.450 50 0 in-vitro ADAARO [NH3+]C[C@H](c1ccncc1)c1ccc[nH]1 71500032 169214913 /nfs/dbraw/zinc/21/49/13/169214913.db2.gz NVGDTKNLXDPTID-SNVBAGLBSA-N 1 0 187.246 1.500 50 0 ADAARO [NH3+]C[C@H](c1cccs1)N1CCCC1 19735774 169214926 /nfs/dbraw/zinc/21/49/26/169214926.db2.gz HZLMJMYZCMEADV-SECBINFHSA-N 1 0 196.319 1.844 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCCC[C@@H]1F 95829073 169214929 /nfs/dbraw/zinc/21/49/29/169214929.db2.gz CGUKMUGMCFSIDE-RQJHMYQMSA-N 1 0 131.194 1.473 50 0 ADAARO [NH3+]C[C@H]1CC1(Cl)Cl 4204744 169214931 /nfs/dbraw/zinc/21/49/31/169214931.db2.gz AZJBFYHLWRPAIH-GSVOUGTGSA-N 1 0 140.013 1.139 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCCN1Cc1ccccn1 95072845 169214934 /nfs/dbraw/zinc/21/49/34/169214934.db2.gz IBWKACOHLOFKID-LLVKDONJSA-N 1 0 191.278 1.005 50 0 ADAARO [NH3+]C[C@H]1CCCCS1 84303549 169215004 /nfs/dbraw/zinc/21/50/04/169215004.db2.gz VLEJBHDPGPXFNH-ZCFIWIBFSA-N 1 0 131.244 1.231 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCCN1Cc1ccccc1 22910095 169215033 /nfs/dbraw/zinc/21/50/33/169215033.db2.gz OEYAFMGVIFWPQI-GFCCVEGCSA-N 1 0 190.290 1.610 50 0 in-vitro ADAARO NC[C@H]1CCC[N@@H+]1CC1CCCCC1 90225631 169215086 /nfs/dbraw/zinc/21/50/86/169215086.db2.gz BCXIHNPGQKJBMF-GFCCVEGCSA-N 1 0 196.338 1.990 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCCCC1(F)F 95829028 169215124 /nfs/dbraw/zinc/21/51/24/169215124.db2.gz HLJRGNKZIZLKPY-ZCFIWIBFSA-N 1 0 149.184 1.771 50 0 ADAARO [NH3+]C[C@H]1CCC(F)(F)C1 84239540 169215237 /nfs/dbraw/zinc/21/52/37/169215237.db2.gz MBNJAGKPJGONBM-YFKPBYRVSA-N 1 0 135.157 1.381 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCC2(CCCCC2)O1 97054012 169215349 /nfs/dbraw/zinc/21/53/49/169215349.db2.gz GGRYYUQDXUIJAT-SECBINFHSA-N 1 0 169.268 1.827 50 0 in-vitro ADAARO [NH3+]C[C@H]1CC(=O)Nc2ccccc21 57935920 169215351 /nfs/dbraw/zinc/21/53/51/169215351.db2.gz ZJMZHOMUFKQBLT-SSDOTTSWSA-N 1 0 176.219 1.071 50 0 in-vitro ADAARO [NH3+]C[C@H]1CC12CCCCC2 19087910 169215362 /nfs/dbraw/zinc/21/53/62/169215362.db2.gz FTLWLXATYUQMKU-MRVPVSSYSA-N 1 0 139.242 1.916 50 0 ADAARO NC[C@H]1CCC[N@@H+]1C1CCCCC1 39318918 169215366 /nfs/dbraw/zinc/21/53/66/169215366.db2.gz FWZCSDNSXJJNLH-LLVKDONJSA-N 1 0 182.311 1.742 50 0 in-vitro ADAARO [NH3+]C[C@H](c1ccco1)N1CCCCC1 19362028 169215475 /nfs/dbraw/zinc/21/54/75/169215475.db2.gz PZAFITNXUAYSNP-SNVBAGLBSA-N 1 0 194.278 1.765 50 0 in-vitro ADAARO [NH3+]C[C@H]1CC(=O)c2ccccc21 58517830 169215482 /nfs/dbraw/zinc/21/54/82/169215482.db2.gz APNLOAXYKCXSOI-SSDOTTSWSA-N 1 0 161.204 1.315 50 0 ADAARO [NH3+]C[C@H]1CC12CCSCC2 54587867 169215535 /nfs/dbraw/zinc/21/55/35/169215535.db2.gz DEADULMKYIJVKW-SSDOTTSWSA-N 1 0 157.282 1.478 50 0 ADAARO [NH3+]C[C@H]1CC12CCC2 82828824 169215536 /nfs/dbraw/zinc/21/55/36/169215536.db2.gz AXGWNLXMFBOMDZ-ZCFIWIBFSA-N 1 0 111.188 1.135 50 0 ADAARO [NH3+]C[C@H]1CCCC12CC2 82411439 169215575 /nfs/dbraw/zinc/21/55/75/169215575.db2.gz XOVRPPMULXURNU-SSDOTTSWSA-N 1 0 125.215 1.525 50 0 ADAARO [NH3+]C[C@H]1CCCC1(F)F 84302834 169215581 /nfs/dbraw/zinc/21/55/81/169215581.db2.gz MKRMIWGEPCWIBY-RXMQYKEDSA-N 1 0 135.157 1.381 50 0 ADAARO [NH3+]C[C@H]1CCCC(F)(F)C1 84239530 169215587 /nfs/dbraw/zinc/21/55/87/169215587.db2.gz KUHHSYYOTFOMJB-LURJTMIESA-N 1 0 149.184 1.771 50 0 in-vitro ADAARO [NH3+]C[C@H](c1ccco1)N1CCCC1 19230089 169215590 /nfs/dbraw/zinc/21/55/90/169215590.db2.gz UYQVLFHSKHZNKC-SECBINFHSA-N 1 0 180.251 1.375 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCN1Cc1ccccc1 32629435 169215813 /nfs/dbraw/zinc/21/58/13/169215813.db2.gz VEWIYLBNEGSCTO-LLVKDONJSA-N 1 0 176.263 1.220 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCCSCC1 82408996 169216035 /nfs/dbraw/zinc/21/60/35/169216035.db2.gz GYGLXFLPUMGVGT-ZETCQYMHSA-N 1 0 145.271 1.478 50 0 ADAARO [NH3+]C[C@H]1CCC[C@@H]1C1CC1 87939434 169216053 /nfs/dbraw/zinc/21/60/53/169216053.db2.gz GQTMKFMHYDYLFS-RKDXNWHRSA-N 1 0 139.242 1.771 50 0 ADAARO [NH3+]C[C@H]1CC[C@@H](c2ccccc2)O1 35837226 169216054 /nfs/dbraw/zinc/21/60/54/169216054.db2.gz IAIACGGIZWXQIK-MNOVXSKESA-N 1 0 177.247 1.865 50 0 in-vivo ADAARO [NH3+]C[C@H]1CCN(c2ccccc2F)C1 11891576 169216075 /nfs/dbraw/zinc/21/60/75/169216075.db2.gz FJDASTFCBOZLJP-SECBINFHSA-N 1 0 194.253 1.611 50 0 ADAARO [NH3+]C[C@H]1CCC[C@H]1C1CC1 87939428 169216122 /nfs/dbraw/zinc/21/61/22/169216122.db2.gz GQTMKFMHYDYLFS-BDAKNGLRSA-N 1 0 139.242 1.771 50 0 ADAARO [NH3+]C[C@H]1CCN(c2ccc(F)cc2)C1 11891582 169216339 /nfs/dbraw/zinc/21/63/39/169216339.db2.gz GFKMUGMDHUMQAM-SECBINFHSA-N 1 0 194.253 1.611 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCOc2ccccc21 37245775 169216354 /nfs/dbraw/zinc/21/63/54/169216354.db2.gz XGFJPMBRXFFNAH-MRVPVSSYSA-N 1 0 163.220 1.511 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCCN1c1ccccc1 33893000 169216388 /nfs/dbraw/zinc/21/63/88/169216388.db2.gz KNUMXWVUUOXOFF-LLVKDONJSA-N 1 0 176.263 1.614 50 0 ADAARO [NH3+]C[C@H]1CC[C@@H](F)C1 95829046 169216440 /nfs/dbraw/zinc/21/64/40/169216440.db2.gz ZBFGGIJQWMXVBW-NTSWFWBYSA-N 1 0 117.167 1.083 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCN(c2cccc(F)c2)C1 11891729 169216489 /nfs/dbraw/zinc/21/64/89/169216489.db2.gz UBVVTRXMBZDJIL-SECBINFHSA-N 1 0 194.253 1.611 50 0 ADAARO [NH3+]C[C@H]1CCCc2cccnc21 78885449 169216507 /nfs/dbraw/zinc/21/65/07/169216507.db2.gz HIJYDESWTDPRNF-SECBINFHSA-N 1 0 162.236 1.460 50 0 ADAARO [NH3+]Cc1cc(Br)c[nH]1 71790888 169218289 /nfs/dbraw/zinc/21/82/89/169218289.db2.gz NGPSXQJWPGUSRK-UHFFFAOYSA-N 1 0 175.029 1.236 50 0 in-vitro ADAARO [NH3+]Cc1c[nH]nc1-c1ccc(F)cc1 14988356 169218302 /nfs/dbraw/zinc/21/83/02/169218302.db2.gz MPUSYMXANVWCCK-UHFFFAOYSA-N 1 0 191.209 1.675 50 0 in-vitro ADAARO [NH3+]Cc1cc(-c2cccs2)n[nH]1 20270434 169218324 /nfs/dbraw/zinc/21/83/24/169218324.db2.gz USDNHWVNDNZXDX-UHFFFAOYSA-N 1 0 179.248 1.597 50 0 in-vitro ADAARO [NH3+]Cc1c[nH]c(-c2ccccc2)n1 62820792 169218330 /nfs/dbraw/zinc/21/83/30/169218330.db2.gz CNIIMCXFZSUBJC-UHFFFAOYSA-N 1 0 173.219 1.535 50 0 ADAARO [NH3+]Cc1cc(-c2ccccc2)n[nH]1 19093459 169218360 /nfs/dbraw/zinc/21/83/60/169218360.db2.gz SZLBOMHYJMAXRA-UHFFFAOYSA-N 1 0 173.219 1.535 50 0 in-vitro ADAARO [NH3+]Cc1c[nH]nc1-c1cccc(F)c1 82636572 169218364 /nfs/dbraw/zinc/21/83/64/169218364.db2.gz FKLOOHRTPTXWKO-UHFFFAOYSA-N 1 0 191.209 1.675 50 0 ADAARO [NH3+]Cc1cc(-c2ccccc2F)no1 35655514 169218367 /nfs/dbraw/zinc/21/83/67/169218367.db2.gz LTQAXBKYVMMKCG-UHFFFAOYSA-N 1 0 192.193 1.939 50 0 in-vitro ADAARO [NH3+]Cc1cc(-c2ccc(F)cc2)no1 20440801 169218401 /nfs/dbraw/zinc/21/84/01/169218401.db2.gz YUGXVCNCLFEENW-UHFFFAOYSA-N 1 0 192.193 1.939 50 0 in-vitro ADAARO [NH3+]Cc1c[nH]c2ccccc12 152322 169218408 /nfs/dbraw/zinc/21/84/08/169218408.db2.gz JXYGLMATGAAIBU-UHFFFAOYSA-N 1 0 146.193 1.627 50 0 endogenous,in-man ADAARO [NH3+]Cc1c(F)cc2ncccc2c1F 115875335 169218426 /nfs/dbraw/zinc/21/84/26/169218426.db2.gz LGQFVHNAXTVDQS-UHFFFAOYSA-N 1 0 194.184 1.972 50 0 ADAARO [NH3+]Cc1c(F)c(F)cc(F)c1F 44236436 169218477 /nfs/dbraw/zinc/21/84/77/169218477.db2.gz GOUKYMUBOWCOIV-UHFFFAOYSA-N 1 0 179.116 1.702 50 0 ADAARO [NH3+]Cc1c(F)cccc1N1CCCC1 71506761 169218502 /nfs/dbraw/zinc/21/85/02/169218502.db2.gz BMYFCQXYAXKCBA-UHFFFAOYSA-N 1 0 194.253 1.885 50 0 in-vitro ADAARO [NH3+]Cc1c(F)cccc1F 409202 169218517 /nfs/dbraw/zinc/21/85/17/169218517.db2.gz PQCUDKMMPTXMAL-UHFFFAOYSA-N 1 0 143.136 1.424 50 0 in-vitro ADAARO [NH3+]Cc1cc(-c2cccnc2)no1 14949869 169218563 /nfs/dbraw/zinc/21/85/63/169218563.db2.gz HQTBIZDUNOAXTD-UHFFFAOYSA-N 1 0 175.191 1.195 50 0 ADAARO [NH3+]Cc1c(F)cc(O)cc1F 39060230 169218566 /nfs/dbraw/zinc/21/85/66/169218566.db2.gz WRHIZEUURGUQHJ-UHFFFAOYSA-N 1 0 159.135 1.129 50 0 ADAARO [NH3+]Cc1cc(-c2cccc(F)c2)no1 19093037 169218571 /nfs/dbraw/zinc/21/85/71/169218571.db2.gz UVQLZRKKLPKFID-UHFFFAOYSA-N 1 0 192.193 1.939 50 0 in-vitro ADAARO [NH3+]Cc1c[nH]c2c(F)cccc12 20269172 169218574 /nfs/dbraw/zinc/21/85/74/169218574.db2.gz HDFJOQICBUCVSR-UHFFFAOYSA-N 1 0 164.183 1.766 50 0 in-vitro ADAARO [NH3+]Cc1c(Cl)cncc1Cl 85224653 169218586 /nfs/dbraw/zinc/21/85/86/169218586.db2.gz SLXNSCAPGIJRDM-UHFFFAOYSA-N 1 0 177.034 1.847 50 0 in-vitro ADAARO [NH3+]Cc1cc(C(F)(F)F)ccn1 2529124 169218656 /nfs/dbraw/zinc/21/86/56/169218656.db2.gz IHGMLLBMNDWLBL-UHFFFAOYSA-N 1 0 176.141 1.559 50 0 in-vitro ADAARO [NH3+]Cc1cc(-c2ccccc2)on1 4271702 169218739 /nfs/dbraw/zinc/21/87/39/169218739.db2.gz GWDSZTSDAULPDO-UHFFFAOYSA-N 1 0 174.203 1.800 50 0 in-vitro ADAARO [NH3+]Cc1cc(Br)ccn1 64033766 169218791 /nfs/dbraw/zinc/21/87/91/169218791.db2.gz ZIIMDWQEXYZSMZ-UHFFFAOYSA-N 1 0 187.040 1.303 50 0 in-vitro ADAARO [NH3+]Cc1cc(-c2ccccc2)no1 169750 169218866 /nfs/dbraw/zinc/21/88/66/169218866.db2.gz AQZLTCXQTOKUAA-UHFFFAOYSA-N 1 0 174.203 1.800 50 0 in-vitro ADAARO [NH3+]Cc1c(F)ccc(F)c1F 2560209 169218907 /nfs/dbraw/zinc/21/89/07/169218907.db2.gz ITWONDJIBWNPOK-UHFFFAOYSA-N 1 0 161.126 1.563 50 0 in-vitro ADAARO [NH3+]Cc1cc(-c2ccco2)on1 3880857 169218965 /nfs/dbraw/zinc/21/89/65/169218965.db2.gz IKOFHZGPFRNEQZ-UHFFFAOYSA-N 1 0 164.164 1.393 50 0 in-vitro ADAARO [NH3+]Cc1c[nH]c2cccnc12 24780905 169218969 /nfs/dbraw/zinc/21/89/69/169218969.db2.gz CCLMUTSOQIAOIW-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 ADAARO [NH3+]Cc1c(F)cc(F)c(F)c1F 2585571 169219049 /nfs/dbraw/zinc/21/90/49/169219049.db2.gz ZHLFJXUBVIROCT-UHFFFAOYSA-N 1 0 179.116 1.702 50 0 ADAARO [NH3+]Cc1cc(-c2ccc(F)cc2)on1 11920178 169219343 /nfs/dbraw/zinc/21/93/43/169219343.db2.gz WQLAWLKPAPOQLF-UHFFFAOYSA-N 1 0 192.193 1.939 50 0 ADAARO [NH3+]Cc1c(F)c(F)c(F)c(F)c1F 5282315 169219393 /nfs/dbraw/zinc/21/93/93/169219393.db2.gz BHRRPEQUXZLXBW-UHFFFAOYSA-N 1 0 197.106 1.841 50 0 ADAARO [NH3+]Cc1cc(-c2ccccn2)no1 19089218 169219397 /nfs/dbraw/zinc/21/93/97/169219397.db2.gz UXDJSILWVHFQJH-UHFFFAOYSA-N 1 0 175.191 1.195 50 0 ADAARO [NH3+]Cc1cc(-c2ccco2)n[nH]1 20270453 169219404 /nfs/dbraw/zinc/21/94/04/169219404.db2.gz VQWGDAAODMUVAK-UHFFFAOYSA-N 1 0 163.180 1.128 50 0 in-vitro ADAARO [NH3+]Cc1cc(-c2ccccc2F)on1 26421084 169219483 /nfs/dbraw/zinc/21/94/83/169219483.db2.gz HSOXYBOLSDBFKL-UHFFFAOYSA-N 1 0 192.193 1.939 50 0 ADAARO [NH3+]Cc1c(F)cc(F)cc1F 2560211 169219504 /nfs/dbraw/zinc/21/95/04/169219504.db2.gz RCHOKTKXVKKNBC-UHFFFAOYSA-N 1 0 161.126 1.563 50 0 ADAARO [NH3+]Cc1cc(C2CC2)on1 19093165 169219573 /nfs/dbraw/zinc/21/95/73/169219573.db2.gz YAGKRVQCDOMDOS-UHFFFAOYSA-N 1 0 138.170 1.011 50 0 in-vitro ADAARO [NH3+]Cc1cc(Br)cs1 11920630 169219589 /nfs/dbraw/zinc/21/95/89/169219589.db2.gz XQRUUHBPUXOVPD-UHFFFAOYSA-N 1 0 192.081 1.969 50 0 in-vitro ADAARO [NH3+]Cc1c[nH]c2ncccc12 24730234 169219615 /nfs/dbraw/zinc/21/96/15/169219615.db2.gz SSAMGZYCCCUIEN-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO [NH3+]Cc1c[nH]c2ccncc12 24780782 169219640 /nfs/dbraw/zinc/21/96/40/169219640.db2.gz KBXFWIMIYYDPNJ-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 ADAARO [NH3+]Cc1cc(-c2cccs2)on1 11612464 169219679 /nfs/dbraw/zinc/21/96/79/169219679.db2.gz WAGYUEANXMJIGV-UHFFFAOYSA-N 1 0 180.232 1.862 50 0 in-vitro ADAARO [NH3+]Cc1c[nH]c2cnccc12 24780738 169219683 /nfs/dbraw/zinc/21/96/83/169219683.db2.gz OULATWWBQOMBOO-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 ADAARO [NH3+]Cc1cc(C(F)(F)F)on1 107780242 169219704 /nfs/dbraw/zinc/21/97/04/169219704.db2.gz NXNMFIMTQQLGMC-UHFFFAOYSA-N 1 0 166.102 1.152 50 0 ADAARO [NH3+]Cc1c(F)cccc1OC(F)F 36307099 169219720 /nfs/dbraw/zinc/21/97/20/169219720.db2.gz PNMHMPGHBYONJG-UHFFFAOYSA-N 1 0 191.152 1.886 50 0 in-vitro ADAARO [NH3+]Cc1cc(Cl)cs1 62709807 169219958 /nfs/dbraw/zinc/21/99/58/169219958.db2.gz UDLPZWJCNIRBJZ-UHFFFAOYSA-N 1 0 147.630 1.860 50 0 in-vitro ADAARO [NH3+]Cc1cc(Cl)ccc1F 2382090 169219962 /nfs/dbraw/zinc/21/99/62/169219962.db2.gz BFLBLJKULFDOTN-UHFFFAOYSA-N 1 0 159.591 1.938 50 0 in-vitro ADAARO [NH3+]Cc1cc2c(s1)CCSC2 78210658 169219987 /nfs/dbraw/zinc/21/99/87/169219987.db2.gz QRLUPBTZWSNDJP-UHFFFAOYSA-N 1 0 185.317 1.996 50 0 ADAARO Nc1cc(Cl)cc(C[NH3+])c1 2573849 169220021 /nfs/dbraw/zinc/22/00/21/169220021.db2.gz WIVZFVALCYRYIQ-UHFFFAOYSA-N 1 0 156.616 1.381 50 0 in-vitro ADAARO [NH3+]Cc1cc(O)cc(Cl)c1 40447858 169220056 /nfs/dbraw/zinc/22/00/56/169220056.db2.gz LOZYUTBRGCVNQJ-UHFFFAOYSA-N 1 0 157.600 1.504 50 0 ADAARO [NH3+]Cc1cc(Cl)nc(Cl)c1 16125381 169220085 /nfs/dbraw/zinc/22/00/85/169220085.db2.gz LCVQJXXKYFOSGH-UHFFFAOYSA-N 1 0 177.034 1.847 50 0 in-vitro ADAARO [NH3+]Cc1cc2ccc(F)cc2[nH]c1=O 11980071 169220130 /nfs/dbraw/zinc/22/01/30/169220130.db2.gz LBGNVBHSPVERES-UHFFFAOYSA-N 1 0 192.193 1.126 50 0 ADAARO [NH3+]Cc1cc(F)ccc1Cl 12359293 169220166 /nfs/dbraw/zinc/22/01/66/169220166.db2.gz IGFBMQSUHFQVFE-UHFFFAOYSA-N 1 0 159.591 1.938 50 0 in-vitro ADAARO [NH3+]Cc1cc(F)ccc1OC(F)F 38530031 169220193 /nfs/dbraw/zinc/22/01/93/169220193.db2.gz KZGCNFCITFWOCH-UHFFFAOYSA-N 1 0 191.152 1.886 50 0 in-vitro ADAARO [NH3+]Cc1cc(F)cc(F)c1 403169 169220238 /nfs/dbraw/zinc/22/02/38/169220238.db2.gz VJNGGOMRUHYAMC-UHFFFAOYSA-N 1 0 143.136 1.424 50 0 ADAARO [NH3+]Cc1cc2c(s1)CCC2 19414556 169220303 /nfs/dbraw/zinc/22/03/03/169220303.db2.gz JFWMSCGNMHKOHT-UHFFFAOYSA-N 1 0 153.250 1.696 50 0 in-vitro ADAARO [NH3+]Cc1cc(Cl)co1 85392529 169220344 /nfs/dbraw/zinc/22/03/44/169220344.db2.gz BRMQXHBGKGGEIA-UHFFFAOYSA-N 1 0 131.562 1.392 50 0 ADAARO [NH3+]Cc1cc(OCC2CCC2)ncn1 98214047 169220366 /nfs/dbraw/zinc/22/03/66/169220366.db2.gz GJTNLSOGYGPTDZ-UHFFFAOYSA-N 1 0 193.250 1.114 50 0 ADAARO [NH3+]Cc1cc(OC2CCC2)ccn1 51521768 169220406 /nfs/dbraw/zinc/22/04/06/169220406.db2.gz GRTLXAUKDFMUIS-UHFFFAOYSA-N 1 0 178.235 1.472 50 0 in-vitro ADAARO [NH3+]Cc1cc(F)cc2[nH]ccc12 95642801 169220420 /nfs/dbraw/zinc/22/04/20/169220420.db2.gz VQUMWNGBJGVDGW-UHFFFAOYSA-N 1 0 164.183 1.766 50 0 ADAARO [NH3+]Cc1cc2c(cc1Cl)OCO2 49582082 169220489 /nfs/dbraw/zinc/22/04/89/169220489.db2.gz NYLLTMJTQBUNLZ-UHFFFAOYSA-N 1 0 185.610 1.527 50 0 ADAARO [NH3+]Cc1cc(Cl)nnc1Cl 57340901 169220633 /nfs/dbraw/zinc/22/06/33/169220633.db2.gz KRXOYXUEYSOORC-UHFFFAOYSA-N 1 0 178.022 1.242 50 0 ADAARO [NH3+]Cc1cc(F)cc2c1OCOC2 4277245 169220707 /nfs/dbraw/zinc/22/07/07/169220707.db2.gz JNFVSJNYOFOUDD-UHFFFAOYSA-N 1 0 183.182 1.151 50 0 in-vitro ADAARO Nc1cc(C[NH3+])cc(C(F)(F)F)c1 82164605 169220765 /nfs/dbraw/zinc/22/07/65/169220765.db2.gz LZQNQVAKBKTESA-UHFFFAOYSA-N 1 0 190.168 1.746 50 0 in-vitro ADAARO [NH3+]Cc1cc2ccccc2[nH]1 2558366 169220855 /nfs/dbraw/zinc/22/08/55/169220855.db2.gz RNAODKZCUVVPEN-UHFFFAOYSA-N 1 0 146.193 1.627 50 0 in-vitro ADAARO [NH3+]Cc1cc(OCC(F)F)ccn1 95218344 169220858 /nfs/dbraw/zinc/22/08/58/169220858.db2.gz OEJSCBJWSVWOTD-UHFFFAOYSA-N 1 0 188.177 1.184 50 0 in-vitro ADAARO [NH3+]Cc1cc(Cl)cc(Cl)n1 82869297 169220861 /nfs/dbraw/zinc/22/08/61/169220861.db2.gz MLZPDLJHFHXQHI-UHFFFAOYSA-N 1 0 177.034 1.847 50 0 ADAARO [NH3+]Cc1cc(F)cnc1Cl 83339718 169220864 /nfs/dbraw/zinc/22/08/64/169220864.db2.gz ZVHCOUATUMIIIL-UHFFFAOYSA-N 1 0 160.579 1.333 50 0 ADAARO [NH3+]Cc1cc(Cl)ccn1 39051096 169220903 /nfs/dbraw/zinc/22/09/03/169220903.db2.gz FZCYDUZIHRNWSQ-UHFFFAOYSA-N 1 0 142.589 1.194 50 0 in-vitro ADAARO [NH3+]Cc1cc(O)ccc1Cl 84427240 169220909 /nfs/dbraw/zinc/22/09/09/169220909.db2.gz XZTOHXTZMQAECA-UHFFFAOYSA-N 1 0 157.600 1.504 50 0 ADAARO [NH3+]Cc1cc(Cl)c2c(c1)OCCO2 20285294 169220962 /nfs/dbraw/zinc/22/09/62/169220962.db2.gz CCLGSDIFLDENKE-UHFFFAOYSA-N 1 0 199.637 1.570 50 0 in-vitro ADAARO [NH3+]Cc1cc(F)cc(Cl)c1 6524441 169220977 /nfs/dbraw/zinc/22/09/77/169220977.db2.gz XJCYOVBALKWQQC-UHFFFAOYSA-N 1 0 159.591 1.938 50 0 in-vitro ADAARO [NH3+]Cc1cc(Cl)cc2c1OCC2 95348320 169220993 /nfs/dbraw/zinc/22/09/93/169220993.db2.gz UXKCHKSLFMYHNM-UHFFFAOYSA-N 1 0 183.638 1.734 50 0 in-vitro ADAARO [NH3+]Cc1cc(F)c(F)c(F)c1 2560212 169221013 /nfs/dbraw/zinc/22/10/13/169221013.db2.gz AJGBQAAXUVSBCH-UHFFFAOYSA-N 1 0 161.126 1.563 50 0 in-vitro ADAARO [NH3+]Cc1cc(Cl)cc2c1OCOC2 11850995 169221016 /nfs/dbraw/zinc/22/10/16/169221016.db2.gz UPFOSYIWNBTWRL-UHFFFAOYSA-N 1 0 199.637 1.665 50 0 ADAARO [NH3+]Cc1cc(F)c(F)cc1F 2560210 169221053 /nfs/dbraw/zinc/22/10/53/169221053.db2.gz BLJQJQNRXILVTA-UHFFFAOYSA-N 1 0 161.126 1.563 50 0 in-vitro ADAARO [NH3+]Cc1cc(F)ccc1F 409201 169221085 /nfs/dbraw/zinc/22/10/85/169221085.db2.gz GDFBHCMFIUBEQT-UHFFFAOYSA-N 1 0 143.136 1.424 50 0 in-vitro ADAARO Nc1ccc(Cl)cc1C[NH3+] 4203225 169221115 /nfs/dbraw/zinc/22/11/15/169221115.db2.gz DUDVJYRAOLMJLK-UHFFFAOYSA-N 1 0 156.616 1.381 50 0 ADAARO [NH3+]Cc1cc(F)cc(F)c1F 2560208 169221122 /nfs/dbraw/zinc/22/11/22/169221122.db2.gz VBSZVHOYRNCVSA-UHFFFAOYSA-N 1 0 161.126 1.563 50 0 in-vitro ADAARO [NH3+]Cc1cc2cc(F)ccc2[nH]1 5945547 169221160 /nfs/dbraw/zinc/22/11/60/169221160.db2.gz PJOPNLWUFQKDGJ-UHFFFAOYSA-N 1 0 164.183 1.766 50 0 ADAARO [NH3+]Cc1cc(F)c(Cl)nc1Cl 44248971 169221216 /nfs/dbraw/zinc/22/12/16/169221216.db2.gz LNLBGKHMSCZAJX-UHFFFAOYSA-N 1 0 195.024 1.986 50 0 ADAARO [NH3+]Cc1ccc(-c2c[nH]cn2)cc1 22015956 169221532 /nfs/dbraw/zinc/22/15/32/169221532.db2.gz HGIDLCJAORUXFC-UHFFFAOYSA-N 1 0 173.219 1.535 50 0 in-vitro ADAARO [NH3+]Cc1ccc(C(F)F)nc1 95763680 169221538 /nfs/dbraw/zinc/22/15/38/169221538.db2.gz ZXBINSHSDIBEKQ-UHFFFAOYSA-N 1 0 158.151 1.478 50 0 ADAARO [NH3+]Cc1cc2occc2s1 68577201 169221557 /nfs/dbraw/zinc/22/15/57/169221557.db2.gz MIBPQOWRFXVNFJ-UHFFFAOYSA-N 1 0 153.206 1.953 50 0 ADAARO [NH3+]Cc1ccc(-c2ccco2)o1 82163135 169221561 /nfs/dbraw/zinc/22/15/61/169221561.db2.gz MORCKEYIAFEMQQ-UHFFFAOYSA-N 1 0 163.176 1.998 50 0 in-vitro ADAARO [NH3+]Cc1ccc(Cn2cccn2)cc1 4218915 169221619 /nfs/dbraw/zinc/22/16/19/169221619.db2.gz PTNZUQYUPCUNSX-UHFFFAOYSA-N 1 0 187.246 1.390 50 0 in-vitro ADAARO [NH3+]Cc1ccc(Cl)cc1F 157012 169221717 /nfs/dbraw/zinc/22/17/17/169221717.db2.gz ODMMHGMIZYLHNN-UHFFFAOYSA-N 1 0 159.591 1.938 50 0 in-vitro ADAARO [NH3+]Cc1ccc(Br)nc1 30677724 169221765 /nfs/dbraw/zinc/22/17/65/169221765.db2.gz AMCICDDTKARWJB-UHFFFAOYSA-N 1 0 187.040 1.303 50 0 in-vitro ADAARO [NH3+]Cc1ccc(Br)s1 11920629 169221808 /nfs/dbraw/zinc/22/18/08/169221808.db2.gz RAVKMGSIHFLQJU-UHFFFAOYSA-N 1 0 192.081 1.969 50 0 in-vitro ADAARO [NH3+]Cc1ccc(C(=O)NC2CC2)cc1 19722290 169221843 /nfs/dbraw/zinc/22/18/43/169221843.db2.gz HRSVHHPROYNBJY-UHFFFAOYSA-N 1 0 190.246 1.038 50 0 in-vitro ADAARO [NH3+]Cc1ccc(C2CC2)cn1 82631732 169221848 /nfs/dbraw/zinc/22/18/48/169221848.db2.gz QJXOQJCMVFNCQG-UHFFFAOYSA-N 1 0 148.209 1.418 50 0 ADAARO [NH3+]Cc1ccc(F)c(F)c1 409203 169221850 /nfs/dbraw/zinc/22/18/50/169221850.db2.gz PHLZUDXEBCQHKM-UHFFFAOYSA-N 1 0 143.136 1.424 50 0 in-vitro ADAARO [NH3+]Cc1ccc(-c2ncccn2)cc1 12370550 169221861 /nfs/dbraw/zinc/22/18/61/169221861.db2.gz NCQYEJBFHRMHKN-UHFFFAOYSA-N 1 0 185.230 1.602 50 0 in-vitro ADAARO [NH3+]Cc1ccc(-c2ccncc2)nc1 96094092 169221863 /nfs/dbraw/zinc/22/18/63/169221863.db2.gz MEYGZXDVYOUUOR-UHFFFAOYSA-N 1 0 185.230 1.602 50 0 ADAARO [NH3+]Cc1ccc(C(F)(F)F)o1 12370867 169221867 /nfs/dbraw/zinc/22/18/67/169221867.db2.gz MMOMFJIMQXUJMQ-UHFFFAOYSA-N 1 0 165.114 1.757 50 0 in-vitro ADAARO [NH3+]Cc1cc2ccccc2cn1 20443030 169221907 /nfs/dbraw/zinc/22/19/07/169221907.db2.gz TXMHNJDESIWXIA-UHFFFAOYSA-N 1 0 158.204 1.694 50 0 in-vitro ADAARO [NH3+]Cc1ccc(-n2ccnc2)c(F)c1 11757290 169221952 /nfs/dbraw/zinc/22/19/52/169221952.db2.gz JUTIXVFSGDRBRN-UHFFFAOYSA-N 1 0 191.209 1.470 50 0 in-vitro ADAARO [NH3+]Cc1ccc(-c2nnco2)cc1 32625289 169222005 /nfs/dbraw/zinc/22/20/05/169222005.db2.gz LXYQJBCWBCAIEY-UHFFFAOYSA-N 1 0 175.191 1.195 50 0 ADAARO [NH3+]Cc1ccc(Cn2ccnc2)cc1 8390412 169222051 /nfs/dbraw/zinc/22/20/51/169222051.db2.gz UVIGZMZSEKYQAZ-UHFFFAOYSA-N 1 0 187.246 1.390 50 0 ADAARO [NH3+]Cc1ccc(-n2ccnc2)cc1 11757264 169222055 /nfs/dbraw/zinc/22/20/55/169222055.db2.gz MACCCEHTOQDLIP-UHFFFAOYSA-N 1 0 173.219 1.331 50 0 in-vitro ADAARO [NH3+]Cc1ccc(Cl)s1 19518379 169222152 /nfs/dbraw/zinc/22/21/52/169222152.db2.gz QEEXZSPDLPRZEX-UHFFFAOYSA-N 1 0 147.630 1.860 50 0 in-vitro ADAARO [NH3+]Cc1ccc(Br)o1 12374940 169222209 /nfs/dbraw/zinc/22/22/09/169222209.db2.gz PUZCAYXIVIOWTO-UHFFFAOYSA-N 1 0 176.013 1.501 50 0 in-vitro ADAARO [NH3+]Cc1cc2cnccc2o1 39051341 169222273 /nfs/dbraw/zinc/22/22/73/169222273.db2.gz YUKMXPMKWBYBKK-UHFFFAOYSA-N 1 0 148.165 1.287 50 0 ADAARO [NH3+]Cc1ccc(-n2cccn2)cc1 158886 169222283 /nfs/dbraw/zinc/22/22/83/169222283.db2.gz AVKMXPDYQVKSFF-UHFFFAOYSA-N 1 0 173.219 1.331 50 0 in-vitro ADAARO [NH3+]Cc1ccc(-c2cc[nH]n2)cc1 20581014 169222312 /nfs/dbraw/zinc/22/23/12/169222312.db2.gz PVJHXROUKGNRNK-UHFFFAOYSA-N 1 0 173.219 1.535 50 0 ADAARO [NH3+]Cc1ccc(Cl)cc1 157594 169222369 /nfs/dbraw/zinc/22/23/69/169222369.db2.gz YMVFJGSXZNNUDW-UHFFFAOYSA-N 1 0 141.601 1.799 50 0 in-vitro ADAARO [NH3+]Cc1ccc(C2OCCO2)cc1 38342040 169222446 /nfs/dbraw/zinc/22/24/46/169222446.db2.gz NUKQIICQHKOVHB-UHFFFAOYSA-N 1 0 179.219 1.191 50 0 in-vitro ADAARO [NH3+]Cc1ccc(Cl)o1 4205245 169222474 /nfs/dbraw/zinc/22/24/74/169222474.db2.gz SGAVYGQUYIXUJV-UHFFFAOYSA-N 1 0 131.562 1.392 50 0 in-vitro ADAARO [NH3+]Cc1cc2cccnc2s1 82851051 169222477 /nfs/dbraw/zinc/22/24/77/169222477.db2.gz BBIQTAHQJBHQDS-UHFFFAOYSA-N 1 0 164.233 1.755 50 0 ADAARO [NH3+]Cc1ccc(-c2ncc[nH]2)cc1 80441182 169222500 /nfs/dbraw/zinc/22/25/00/169222500.db2.gz VDRVYAZGWHECCL-UHFFFAOYSA-N 1 0 173.219 1.535 50 0 in-vitro ADAARO [NH3+]Cc1ccc(Br)cc1 404752 169222505 /nfs/dbraw/zinc/22/25/05/169222505.db2.gz XRNVSPDQTPVECU-UHFFFAOYSA-N 1 0 186.052 1.908 50 0 in-vitro ADAARO [NH3+]Cc1ccc(-c2ncco2)cc1 82529309 169222532 /nfs/dbraw/zinc/22/25/32/169222532.db2.gz GWPQVUBGKVXPKR-UHFFFAOYSA-N 1 0 174.203 1.800 50 0 ADAARO [NH3+]Cc1ccc(-c2csnn2)cc1 158841 169222564 /nfs/dbraw/zinc/22/25/64/169222564.db2.gz FWSCINFUBQNPJM-UHFFFAOYSA-N 1 0 191.259 1.664 50 0 in-vitro ADAARO [NH3+]Cc1ccc(F)c(F)c1F 2560207 169222573 /nfs/dbraw/zinc/22/25/73/169222573.db2.gz YIWUAPISITUDBY-UHFFFAOYSA-N 1 0 161.126 1.563 50 0 in-vitro ADAARO [NH3+]Cc1cc2ccccc2o1 19486302 169222585 /nfs/dbraw/zinc/22/25/85/169222585.db2.gz DLUXAKYABIDWMU-UHFFFAOYSA-N 1 0 147.177 1.892 50 0 in-vitro ADAARO Nc1cc(C[NH3+])ccc1Cl 2524593 169222615 /nfs/dbraw/zinc/22/26/15/169222615.db2.gz PLYPQPNMLWQERN-UHFFFAOYSA-N 1 0 156.616 1.381 50 0 in-vitro ADAARO [NH3+]Cc1ccc(Cl)c(F)c1 2512524 169222617 /nfs/dbraw/zinc/22/26/17/169222617.db2.gz HSNPBYKCCNMQNA-UHFFFAOYSA-N 1 0 159.591 1.938 50 0 in-vitro ADAARO [NH3+]Cc1ccc(F)c(Cl)c1 167020 169222619 /nfs/dbraw/zinc/22/26/19/169222619.db2.gz LQAUXDMGRBWDIU-UHFFFAOYSA-N 1 0 159.591 1.938 50 0 in-vitro ADAARO [NH3+]Cc1ccc(-c2ncon2)cc1 66324415 169222634 /nfs/dbraw/zinc/22/26/34/169222634.db2.gz VRTGDVLIPISYLR-UHFFFAOYSA-N 1 0 175.191 1.195 50 0 in-vitro ADAARO [NH3+]Cc1ccc(C(F)(F)F)cn1 2559476 169222652 /nfs/dbraw/zinc/22/26/52/169222652.db2.gz HVQOLQUEKRHKKJ-UHFFFAOYSA-N 1 0 176.141 1.559 50 0 in-vitro ADAARO [NH3+]Cc1ccc(C(F)F)cn1 95763681 169222680 /nfs/dbraw/zinc/22/26/80/169222680.db2.gz KMOPLSZLZJHVFJ-UHFFFAOYSA-N 1 0 158.151 1.478 50 0 ADAARO [NH3+]Cc1ccc(-n2cccc2)cc1 159037 169222697 /nfs/dbraw/zinc/22/26/97/169222697.db2.gz FGXCYGHFHAVYTE-UHFFFAOYSA-N 1 0 172.231 1.936 50 0 in-vitro ADAARO [NH3+]Cc1ccc(Br)cn1 30677732 169222713 /nfs/dbraw/zinc/22/27/13/169222713.db2.gz AUIXMWKVLPXKGC-UHFFFAOYSA-N 1 0 187.040 1.303 50 0 in-vitro ADAARO [NH3+]Cc1ccc(-c2cnco2)cc1 20443002 169222737 /nfs/dbraw/zinc/22/27/37/169222737.db2.gz KDGPGIRXRWYDQE-UHFFFAOYSA-N 1 0 174.203 1.800 50 0 in-vitro ADAARO [NH3+]Cc1ccc(Cl)cn1 44831846 169222751 /nfs/dbraw/zinc/22/27/51/169222751.db2.gz KQJKUOYVWLBSDN-UHFFFAOYSA-N 1 0 142.589 1.194 50 0 in-vitro ADAARO [NH3+]Cc1cc2cccnc2[nH]1 82631720 169222790 /nfs/dbraw/zinc/22/27/90/169222790.db2.gz AGKPUYJSUTVVSC-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO [NH3+]Cc1ccc(Cl)nc1 2568143 169222805 /nfs/dbraw/zinc/22/28/05/169222805.db2.gz XPARFBOWIYMLMY-UHFFFAOYSA-N 1 0 142.589 1.194 50 0 in-vitro ADAARO [NH3+]Cc1cc2ccccc2oc1=O 35923586 169222810 /nfs/dbraw/zinc/22/28/10/169222810.db2.gz AUUIARVPJHGTSA-UHFFFAOYSA-N 1 0 175.187 1.252 50 0 ADAARO [NH3+]Cc1ccc(C2CC2)nc1 95763650 169222843 /nfs/dbraw/zinc/22/28/43/169222843.db2.gz DCWRLHYBHQAKKA-UHFFFAOYSA-N 1 0 148.209 1.418 50 0 ADAARO [NH3+]Cc1ccc(C(F)(F)F)nc1 154410 169222880 /nfs/dbraw/zinc/22/28/80/169222880.db2.gz XPXVAYGVYBQKDE-UHFFFAOYSA-N 1 0 176.141 1.559 50 0 in-vitro ADAARO [NH3+]Cc1ccc(-c2cncnc2)cc1 33428445 169222882 /nfs/dbraw/zinc/22/28/82/169222882.db2.gz VILHGKRIKTXTIT-UHFFFAOYSA-N 1 0 185.230 1.602 50 0 ADAARO [NH3+]Cc1cc2ncccc2s1 82851048 169222894 /nfs/dbraw/zinc/22/28/94/169222894.db2.gz PJCCIIHILYHGSP-UHFFFAOYSA-N 1 0 164.233 1.755 50 0 ADAARO [NH3+]Cc1ccc(OC2COC2)c(F)c1 71792148 169223090 /nfs/dbraw/zinc/22/30/90/169223090.db2.gz HNMCWMUWIILISZ-UHFFFAOYSA-N 1 0 197.209 1.062 50 0 ADAARO [NH3+]Cc1ccc(O)c2ncccc12 19737041 169223189 /nfs/dbraw/zinc/22/31/89/169223189.db2.gz KMNQWCOAYXOQKY-UHFFFAOYSA-N 1 0 174.203 1.399 50 0 in-vitro ADAARO [NH3+]Cc1ccc(OC2CCCC2)nc1 22170253 169223314 /nfs/dbraw/zinc/22/33/14/169223314.db2.gz JMYQHZNTWVFDCO-UHFFFAOYSA-N 1 0 192.262 1.862 50 0 in-vitro ADAARO [NH3+]Cc1ccc(O)c(Cl)c1 39216115 169223335 /nfs/dbraw/zinc/22/33/35/169223335.db2.gz WZNYBICPLIMKNV-UHFFFAOYSA-N 1 0 157.600 1.504 50 0 ADAARO [NH3+]Cc1ccc(F)cc1F 409200 169223338 /nfs/dbraw/zinc/22/33/38/169223338.db2.gz QDZZDVQGBKTLHV-UHFFFAOYSA-N 1 0 143.136 1.424 50 0 in-vitro ADAARO [NH3+]Cc1ccc(OC2CCC2)nc1 50518997 169223340 /nfs/dbraw/zinc/22/33/40/169223340.db2.gz RNRZQLYGVCPRGV-UHFFFAOYSA-N 1 0 178.235 1.472 50 0 ADAARO [NH3+]Cc1ccc2[nH]ccc2c1 2021900 169223374 /nfs/dbraw/zinc/22/33/74/169223374.db2.gz UAYYSAPJTRVEQA-UHFFFAOYSA-N 1 0 146.193 1.627 50 0 in-vitro ADAARO [NH3+]Cc1ccc(OC(F)F)nc1 91351691 169223395 /nfs/dbraw/zinc/22/33/95/169223395.db2.gz HSOFZBGNUGJSBV-UHFFFAOYSA-N 1 0 174.150 1.142 50 0 in-vitro ADAARO [NH3+]Cc1ccc(F)s1 62701939 169223406 /nfs/dbraw/zinc/22/34/06/169223406.db2.gz VXXWEUSVFUFULT-UHFFFAOYSA-N 1 0 131.175 1.346 50 0 in-vitro ADAARO [NH3+]Cc1ccc(NC(=O)C2CC2)cc1 9494333 169223421 /nfs/dbraw/zinc/22/34/21/169223421.db2.gz NZFQLRBYHZMULN-UHFFFAOYSA-N 1 0 190.246 1.494 50 0 ADAARO [NH3+]Cc1ccc(N2CCCC2=O)cc1 874597 169223428 /nfs/dbraw/zinc/22/34/28/169223428.db2.gz FCNVJAXZFYYOMX-UHFFFAOYSA-N 1 0 190.246 1.272 50 0 in-vitro ADAARO [NH3+]Cc1ccc(F)cc1Cl 406432 169223456 /nfs/dbraw/zinc/22/34/56/169223456.db2.gz CBKWAXKMZUULLO-UHFFFAOYSA-N 1 0 159.591 1.938 50 0 in-vitro ADAARO [NH3+]Cc1ccc(OCC2CC2)nc1 19870489 169223466 /nfs/dbraw/zinc/22/34/66/169223466.db2.gz WQQYQIQPOIYTEA-UHFFFAOYSA-N 1 0 178.235 1.329 50 0 in-vitro ADAARO Nc1ccc(C[NH3+])c(C(F)(F)F)c1 44236520 169223518 /nfs/dbraw/zinc/22/35/18/169223518.db2.gz KVGJSASELAQLPO-UHFFFAOYSA-N 1 0 190.168 1.746 50 0 ADAARO [NH3+]Cc1ccc(N2CCCC2)nc1 20281918 169223532 /nfs/dbraw/zinc/22/35/32/169223532.db2.gz NVXFTULJPIFMJJ-UHFFFAOYSA-N 1 0 177.251 1.141 50 0 in-vitro ADAARO [NH3+]Cc1ccc(OC(F)F)cc1 2560132 169223560 /nfs/dbraw/zinc/22/35/60/169223560.db2.gz UHWPLNHRROQPMB-UHFFFAOYSA-N 1 0 173.162 1.747 50 0 in-vitro ADAARO [NH3+]Cc1ccc(OC(F)F)c(F)c1 118903558 169223565 /nfs/dbraw/zinc/22/35/65/169223565.db2.gz NEJMLSCOCOBMGY-UHFFFAOYSA-N 1 0 191.152 1.886 50 0 in-vitro ADAARO [NH3+]Cc1ccc2nc[nH]c2c1 19737029 169223584 /nfs/dbraw/zinc/22/35/84/169223584.db2.gz WHYXSYWCALWOKX-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO Nc1ccc(C[NH3+])cc1C(F)(F)F 44248818 169223597 /nfs/dbraw/zinc/22/35/97/169223597.db2.gz URCKMCGUMIIROI-UHFFFAOYSA-N 1 0 190.168 1.746 50 0 in-vitro ADAARO [NH3+]Cc1ccc(F)cc1 157595 169223638 /nfs/dbraw/zinc/22/36/38/169223638.db2.gz IIFVWLUQBAIPMJ-UHFFFAOYSA-N 1 0 125.146 1.284 50 0 in-vivo ADAARO [NH3+]Cc1ccc(OCC(F)F)cc1 20352313 169223761 /nfs/dbraw/zinc/22/37/61/169223761.db2.gz DOCAXBJQEKQLKZ-UHFFFAOYSA-N 1 0 187.189 1.789 50 0 ADAARO [NH3+]Cc1ccc2n[nH]cc2c1 19045771 169223812 /nfs/dbraw/zinc/22/38/12/169223812.db2.gz AQMGFFLBKVOJLW-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO [NH3+]Cc1ccc(OC(F)F)cn1 83119816 169223824 /nfs/dbraw/zinc/22/38/24/169223824.db2.gz WZAVUAHOHZANGQ-UHFFFAOYSA-N 1 0 174.150 1.142 50 0 in-vitro ADAARO [NH3+]Cc1ccc2[nH]ccc2n1 16678145 169223854 /nfs/dbraw/zinc/22/38/54/169223854.db2.gz FTMDDRRFHNBYFI-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO [NH3+]Cc1cccc2c1OCCCO2 2540083 169223974 /nfs/dbraw/zinc/22/39/74/169223974.db2.gz ZXJOKQNPRXXPJT-UHFFFAOYSA-N 1 0 179.219 1.307 50 0 in-vitro ADAARO [NH3+]Cc1cccc(-c2ncco2)c1 212580034 169223978 /nfs/dbraw/zinc/22/39/78/169223978.db2.gz DNICQJDLNHBNCU-UHFFFAOYSA-N 1 0 174.203 1.800 50 0 ADAARO [NH3+]Cc1ccc2ocnc2c1 57218809 169223984 /nfs/dbraw/zinc/22/39/84/169223984.db2.gz RVNXYVFBXIACJB-UHFFFAOYSA-N 1 0 148.165 1.287 50 0 ADAARO [NH3+]Cc1cccc2c1OC(F)(F)O2 36404589 169223996 /nfs/dbraw/zinc/22/39/96/169223996.db2.gz LZUWIFLVQKZUOO-UHFFFAOYSA-N 1 0 187.145 1.467 50 0 in-vitro ADAARO [NH3+]Cc1cccc2c[nH]nc12 36533300 169224047 /nfs/dbraw/zinc/22/40/47/169224047.db2.gz UWIMEIMWBMQVMW-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO [NH3+]Cc1ccccc1 6096244 169224065 /nfs/dbraw/zinc/22/40/65/169224065.db2.gz WGQKYBSKWIADBV-UHFFFAOYSA-N 1 0 107.156 1.145 50 0 endogenous,investigational ADAARO [NH3+]Cc1cccc(N2CCCC2=O)c1 12701112 169224102 /nfs/dbraw/zinc/22/41/02/169224102.db2.gz VPYXDVFIUAVMMF-UHFFFAOYSA-N 1 0 190.246 1.272 50 0 in-vitro ADAARO [NH3+]Cc1ccccc1-n1ccnc1 3880895 169224144 /nfs/dbraw/zinc/22/41/44/169224144.db2.gz JHDMBRSDCFLSTD-UHFFFAOYSA-N 1 0 173.219 1.331 50 0 in-vitro ADAARO [NH3+]Cc1cccc2c1OCC2 26340274 169224170 /nfs/dbraw/zinc/22/41/70/169224170.db2.gz LNQLTDVDXCZARO-UHFFFAOYSA-N 1 0 149.193 1.080 50 0 in-vitro ADAARO [NH3+]Cc1cccc2c1CCN2 80441189 169224184 /nfs/dbraw/zinc/22/41/84/169224184.db2.gz DHTDBDXPQYYLTQ-UHFFFAOYSA-N 1 0 148.209 1.113 50 0 in-vitro ADAARO [NH3+]Cc1ccccc1Cn1cccn1 8231209 169224185 /nfs/dbraw/zinc/22/41/85/169224185.db2.gz QFYIZKYKKIPFMG-UHFFFAOYSA-N 1 0 187.246 1.390 50 0 in-vitro ADAARO [NH3+]Cc1ccccc1-c1ncc[nH]1 38324958 169224210 /nfs/dbraw/zinc/22/42/10/169224210.db2.gz IRPDMVRGNZBTMZ-UHFFFAOYSA-N 1 0 173.219 1.535 50 0 ADAARO [NH3+]Cc1ccccc1F 161604 169224255 /nfs/dbraw/zinc/22/42/55/169224255.db2.gz LRFWYBZWRQWZIM-UHFFFAOYSA-N 1 0 125.146 1.284 50 0 in-vitro ADAARO [NH3+]Cc1cccc2cnccc12 12397640 169224275 /nfs/dbraw/zinc/22/42/75/169224275.db2.gz CBDCFKLGMRFTRX-UHFFFAOYSA-N 1 0 158.204 1.694 50 0 in-vitro ADAARO [NH3+]Cc1cccc(-c2ncccn2)c1 12370559 169224282 /nfs/dbraw/zinc/22/42/82/169224282.db2.gz MXSXDKVANPZCBQ-UHFFFAOYSA-N 1 0 185.230 1.602 50 0 in-vitro ADAARO [NH3+]Cc1ccccc1OCC(F)F 20352422 169224288 /nfs/dbraw/zinc/22/42/88/169224288.db2.gz FDDYCWOXEUICSB-UHFFFAOYSA-N 1 0 187.189 1.789 50 0 ADAARO [NH3+]Cc1cccc2ncccc12 12397636 169224300 /nfs/dbraw/zinc/22/43/00/169224300.db2.gz HNTPRADIZKVIMT-UHFFFAOYSA-N 1 0 158.204 1.694 50 0 in-vitro ADAARO [NH3+]Cc1cccc(Br)c1 409377 169224305 /nfs/dbraw/zinc/22/43/05/169224305.db2.gz SUYJXERPRICYRX-UHFFFAOYSA-N 1 0 186.052 1.908 50 0 in-vitro ADAARO [NH3+]Cc1cccc(Cl)c1 164422 169224307 /nfs/dbraw/zinc/22/43/07/169224307.db2.gz BJFPYGGTDAYECS-UHFFFAOYSA-N 1 0 141.601 1.799 50 0 in-vitro ADAARO [NH3+]Cc1cccc(F)c1 152271 169224320 /nfs/dbraw/zinc/22/43/20/169224320.db2.gz QVSVMNXRLWSNGS-UHFFFAOYSA-N 1 0 125.146 1.284 50 0 in-vitro ADAARO [NH3+]Cc1cccc2[nH]cnc12 40448714 169224340 /nfs/dbraw/zinc/22/43/40/169224340.db2.gz HNANBZSSHVTMEU-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO [NH3+]Cc1ccccc1Cl 157592 169224343 /nfs/dbraw/zinc/22/43/43/169224343.db2.gz KDDNKZCVYQDGKE-UHFFFAOYSA-N 1 0 141.601 1.799 50 0 in-vitro ADAARO [NH3+]Cc1cccc(-n2ccnc2)c1 68592567 169224373 /nfs/dbraw/zinc/22/43/73/169224373.db2.gz XTMGJUHDNSODLY-UHFFFAOYSA-N 1 0 173.219 1.331 50 0 in-vitro ADAARO [NH3+]Cc1cccc(-c2ncc[nH]2)c1 90225699 169224394 /nfs/dbraw/zinc/22/43/94/169224394.db2.gz VLMJVDGKWDSHCZ-UHFFFAOYSA-N 1 0 173.219 1.535 50 0 in-vitro ADAARO [NH3+]Cc1ccccc1-c1csnn1 113988025 169224413 /nfs/dbraw/zinc/22/44/13/169224413.db2.gz QDIOMIQZOLWIKL-UHFFFAOYSA-N 1 0 191.259 1.664 50 0 ADAARO [NH3+]Cc1ccccc1OC(F)F 12360028 169224448 /nfs/dbraw/zinc/22/44/48/169224448.db2.gz GGXXUJUQXAOYPK-UHFFFAOYSA-N 1 0 173.162 1.747 50 0 in-vitro ADAARO [NH3+]Cc1cccc(Cl)c1F 2575001 169224472 /nfs/dbraw/zinc/22/44/72/169224472.db2.gz LYKWZKBLNOCJMA-UHFFFAOYSA-N 1 0 159.591 1.938 50 0 in-vitro ADAARO [NH3+]Cc1ccccc1OCC1CC1 20076621 169224505 /nfs/dbraw/zinc/22/45/05/169224505.db2.gz LACVTFBJIFJJFZ-UHFFFAOYSA-N 1 0 177.247 1.934 50 0 ADAARO [NH3+]Cc1cccc(-n2cccc2)c1 158963 169224520 /nfs/dbraw/zinc/22/45/20/169224520.db2.gz XLBYUDUEHVKUKQ-UHFFFAOYSA-N 1 0 172.231 1.936 50 0 in-vitro ADAARO [NH3+]Cc1cccc(-c2c[nH]cn2)c1 82868042 169224547 /nfs/dbraw/zinc/22/45/47/169224547.db2.gz RVBVEEGNEOEISK-UHFFFAOYSA-N 1 0 173.219 1.535 50 0 in-vitro ADAARO [NH3+]Cc1cccc2cc[nH]c12 26896664 169224550 /nfs/dbraw/zinc/22/45/50/169224550.db2.gz NMNYQFZHZZSSQC-UHFFFAOYSA-N 1 0 146.193 1.627 50 0 in-vitro ADAARO [NH3+]Cc1cccc2nsnc12 2548455 169224559 /nfs/dbraw/zinc/22/45/59/169224559.db2.gz HMEXAOROCQLCJX-UHFFFAOYSA-N 1 0 165.221 1.150 50 0 ADAARO [NH3+]Cc1ccccc1-n1cccc1 6657964 169224571 /nfs/dbraw/zinc/22/45/71/169224571.db2.gz BNDYBXDAGIQWOB-UHFFFAOYSA-N 1 0 172.231 1.936 50 0 in-vitro ADAARO [NH3+]Cc1cccc(OCC2CC2)c1 32914717 169224578 /nfs/dbraw/zinc/22/45/78/169224578.db2.gz CBZFMIPVPAXOBF-UHFFFAOYSA-N 1 0 177.247 1.934 50 0 ADAARO [NH3+]Cc1cccc2c1CCOC2 82850726 169224602 /nfs/dbraw/zinc/22/46/02/169224602.db2.gz WURFAYKQZFHJTM-UHFFFAOYSA-N 1 0 163.220 1.218 50 0 in-vitro ADAARO [NH3+]Cc1cccc(Cn2cccn2)c1 12370544 169224614 /nfs/dbraw/zinc/22/46/14/169224614.db2.gz XKFHMAZBNKKNMT-UHFFFAOYSA-N 1 0 187.246 1.390 50 0 in-vitro ADAARO [NH3+]Cc1ccccc1Br 407047 169224624 /nfs/dbraw/zinc/22/46/24/169224624.db2.gz NOYASZMZIBFFNZ-UHFFFAOYSA-N 1 0 186.052 1.908 50 0 in-vitro ADAARO [NH3+]Cc1cccc2cccnc12 12397638 169224627 /nfs/dbraw/zinc/22/46/27/169224627.db2.gz OPCQDOJDTZBLEJ-UHFFFAOYSA-N 1 0 158.204 1.694 50 0 in-vitro ADAARO [NH3+]Cc1cccc2[nH]ccc12 1719406 169224638 /nfs/dbraw/zinc/22/46/38/169224638.db2.gz FFBWKPKOXRMLNP-UHFFFAOYSA-N 1 0 146.193 1.627 50 0 in-vitro ADAARO [NH3+]Cc1cccc2c1NCC2 82707690 169224652 /nfs/dbraw/zinc/22/46/52/169224652.db2.gz KWASLQDZSSMFDO-UHFFFAOYSA-N 1 0 148.209 1.113 50 0 ADAARO [NH3+]Cc1cccc(OC2CCC2)n1 51521762 169224657 /nfs/dbraw/zinc/22/46/57/169224657.db2.gz GGMMGENYXVRUGQ-UHFFFAOYSA-N 1 0 178.235 1.472 50 0 ADAARO [NH3+]Cc1cccc(N2CCCC2)n1 20230772 169224673 /nfs/dbraw/zinc/22/46/73/169224673.db2.gz HBEJFAYJKXYWKS-UHFFFAOYSA-N 1 0 177.251 1.141 50 0 in-vitro ADAARO [NH3+]Cc1cccc(Br)n1 21985027 169224679 /nfs/dbraw/zinc/22/46/79/169224679.db2.gz WNUXZPQIGBMHSI-UHFFFAOYSA-N 1 0 187.040 1.303 50 0 in-vitro ADAARO [NH3+]Cc1cccc2occc12 78316533 169224681 /nfs/dbraw/zinc/22/46/81/169224681.db2.gz YQVDPDBPSDVIJS-UHFFFAOYSA-N 1 0 147.177 1.892 50 0 ADAARO [NH3+]Cc1ccc2occc2c1 158637 169224682 /nfs/dbraw/zinc/22/46/82/169224682.db2.gz OFMIMSPBHXZKRI-UHFFFAOYSA-N 1 0 147.177 1.892 50 0 in-vitro ADAARO [NH3+]Cc1cccc(Cl)n1 37594046 169224684 /nfs/dbraw/zinc/22/46/84/169224684.db2.gz MYXAPCZSRSQZHM-UHFFFAOYSA-N 1 0 142.589 1.194 50 0 in-vitro ADAARO [NH3+]Cc1cccc(C(=O)NC2CC2)c1 19722450 169224691 /nfs/dbraw/zinc/22/46/91/169224691.db2.gz WUENLTQYHPHQCB-UHFFFAOYSA-N 1 0 190.246 1.038 50 0 in-vitro ADAARO [NH3+]Cc1cccc(F)c1Cl 44172048 169224710 /nfs/dbraw/zinc/22/47/10/169224710.db2.gz DTNYGEBHHWVMBK-UHFFFAOYSA-N 1 0 159.591 1.938 50 0 in-vitro ADAARO [NH3+]Cc1cccc2ccncc12 20438626 169224713 /nfs/dbraw/zinc/22/47/13/169224713.db2.gz RTKXRSRADBUSHY-UHFFFAOYSA-N 1 0 158.204 1.694 50 0 in-vitro ADAARO [NH3+]Cc1cccc(-n2cccn2)c1 142499 169224714 /nfs/dbraw/zinc/22/47/14/169224714.db2.gz YWZKZHCZKIKAAC-UHFFFAOYSA-N 1 0 173.219 1.331 50 0 in-vitro ADAARO [NH3+]Cc1cccc(NC(=O)C2CC2)c1 9494335 169224744 /nfs/dbraw/zinc/22/47/44/169224744.db2.gz JNRHHFULEHNVFO-UHFFFAOYSA-N 1 0 190.246 1.494 50 0 in-vitro ADAARO [NH3+]Cc1cccc(Cn2ccnc2)c1 20282626 169224768 /nfs/dbraw/zinc/22/47/68/169224768.db2.gz OHRAFCDXQJMMTQ-UHFFFAOYSA-N 1 0 187.246 1.390 50 0 in-vitro ADAARO [NH3+]Cc1ccccc1N1CCCC1 94483 169224784 /nfs/dbraw/zinc/22/47/84/169224784.db2.gz PLXNYYYHSZRVJH-UHFFFAOYSA-N 1 0 176.263 1.746 50 0 in-vitro ADAARO [NH3+]Cc1cccc(N2CCOC2=O)c1 20213261 169224807 /nfs/dbraw/zinc/22/48/07/169224807.db2.gz CSHIRRDTCOQWTI-UHFFFAOYSA-N 1 0 192.218 1.102 50 0 in-vitro ADAARO [NH3+]Cc1cccc(C(F)(F)F)n1 2529118 169224813 /nfs/dbraw/zinc/22/48/13/169224813.db2.gz JDJHGZMTASXPEO-UHFFFAOYSA-N 1 0 176.141 1.559 50 0 in-vitro ADAARO [NH3+]Cc1ccccc1N1CCCC1=O 22209712 169224816 /nfs/dbraw/zinc/22/48/16/169224816.db2.gz OGHHQAMQSYUQCK-UHFFFAOYSA-N 1 0 190.246 1.272 50 0 ADAARO [NH3+]Cc1ccccc1Cn1ccnc1 9466706 169224825 /nfs/dbraw/zinc/22/48/25/169224825.db2.gz KQDQKIUTQYNZIO-UHFFFAOYSA-N 1 0 187.246 1.390 50 0 in-vitro ADAARO [NH3+]Cc1ccc2scnc2c1 82587599 169224833 /nfs/dbraw/zinc/22/48/33/169224833.db2.gz FNFFILJWRNVPRK-UHFFFAOYSA-N 1 0 164.233 1.755 50 0 ADAARO [NH3+]Cc1ccccc1-n1cccn1 2506148 169224873 /nfs/dbraw/zinc/22/48/73/169224873.db2.gz SJMJUZRSTJBVPG-UHFFFAOYSA-N 1 0 173.219 1.331 50 0 in-vitro ADAARO [NH3+]Cc1cccc(OCC(F)F)c1 37755382 169224890 /nfs/dbraw/zinc/22/48/90/169224890.db2.gz GYDCTSJSEXSAOI-UHFFFAOYSA-N 1 0 187.189 1.789 50 0 in-vitro ADAARO [NH3+]Cc1cccc2c1NCCC2 82632576 169224902 /nfs/dbraw/zinc/22/49/02/169224902.db2.gz FUYAFWSFVNGBRP-UHFFFAOYSA-N 1 0 162.236 1.503 50 0 ADAARO [NH3+]Cc1cccc2ncoc12 82631728 169224914 /nfs/dbraw/zinc/22/49/14/169224914.db2.gz RHVSNOSZSVTGOX-UHFFFAOYSA-N 1 0 148.165 1.287 50 0 in-vitro ADAARO [NH3+]Cc1cccc2n[nH]cc12 36533299 169224939 /nfs/dbraw/zinc/22/49/39/169224939.db2.gz YGHPLKICZRUACI-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO [NH3+]Cc1cccc(OC2CC2)c1F 95738080 169224950 /nfs/dbraw/zinc/22/49/50/169224950.db2.gz XSJUITGVFATGKV-UHFFFAOYSA-N 1 0 181.210 1.826 50 0 ADAARO [NH3+]Cc1cccc(OC(F)F)c1 2560131 169224961 /nfs/dbraw/zinc/22/49/61/169224961.db2.gz SYAQBBDPVPDVLJ-UHFFFAOYSA-N 1 0 173.162 1.747 50 0 in-vitro ADAARO [NH3+]Cc1cccc(-c2ccccn2)n1 8394327 169224967 /nfs/dbraw/zinc/22/49/67/169224967.db2.gz RXLQTVLBAUBLET-UHFFFAOYSA-N 1 0 185.230 1.602 50 0 ADAARO [NH3+]Cc1cccc(F)c1F 2545250 169224995 /nfs/dbraw/zinc/22/49/95/169224995.db2.gz OHZUCDHZOHSBPZ-UHFFFAOYSA-N 1 0 143.136 1.424 50 0 in-vitro ADAARO [NH3+]Cc1ccsc1-n1cccc1 21949924 169225152 /nfs/dbraw/zinc/22/51/52/169225152.db2.gz HEEVGWFKDNPKHD-UHFFFAOYSA-N 1 0 178.260 1.998 50 0 ADAARO [NH3+]Cc1cccn1-c1ccccc1 71279061 169225154 /nfs/dbraw/zinc/22/51/54/169225154.db2.gz MXKBEQMGQHQYTR-UHFFFAOYSA-N 1 0 172.231 1.936 50 0 ADAARO [NH3+]Cc1ccnc(Cl)c1 4072644 169225168 /nfs/dbraw/zinc/22/51/68/169225168.db2.gz GGHCWJWUOSNCSK-UHFFFAOYSA-N 1 0 142.589 1.194 50 0 in-vitro ADAARO [NH3+]Cc1ccnn1-c1ccccc1 58836614 169225173 /nfs/dbraw/zinc/22/51/73/169225173.db2.gz LWABEFKYXXCWOB-UHFFFAOYSA-N 1 0 173.219 1.331 50 0 in-vitro ADAARO [NH3+]Cc1cccnc1Br 35570036 169225233 /nfs/dbraw/zinc/22/52/33/169225233.db2.gz NQCCXGCXCFAFGB-UHFFFAOYSA-N 1 0 187.040 1.303 50 0 in-vitro ADAARO [NH3+]Cc1ccnc(Br)c1 21984943 169225339 /nfs/dbraw/zinc/22/53/39/169225339.db2.gz OEOAEMBKKWPLSZ-UHFFFAOYSA-N 1 0 187.040 1.303 50 0 in-vitro ADAARO [NH3+]Cc1cccnc1C(F)(F)F 82634225 169225413 /nfs/dbraw/zinc/22/54/13/169225413.db2.gz VTJMYVYYDDHHSP-UHFFFAOYSA-N 1 0 176.141 1.559 50 0 ADAARO [NH3+]Cc1ccn(C2CCCC2)n1 72339700 169225431 /nfs/dbraw/zinc/22/54/31/169225431.db2.gz ONNPLFFJTVZEEU-UHFFFAOYSA-N 1 0 165.240 1.457 50 0 in-vitro ADAARO [NH3+]Cc1ccnc(OCC2CC2)c1 19870488 169225434 /nfs/dbraw/zinc/22/54/34/169225434.db2.gz NQWPAYLBIFAQFZ-UHFFFAOYSA-N 1 0 178.235 1.329 50 0 in-vitro ADAARO [NH3+]Cc1ccnc(OC2CCC2)c1 50518996 169225437 /nfs/dbraw/zinc/22/54/37/169225437.db2.gz RICSSZZGTICHJS-UHFFFAOYSA-N 1 0 178.235 1.472 50 0 in-vitro ADAARO [NH3+]Cc1ccncc1OCC1CC1 162463707 169225447 /nfs/dbraw/zinc/22/54/47/169225447.db2.gz LVLHSZYNNWJUSA-UHFFFAOYSA-N 1 0 178.235 1.329 50 0 ADAARO [NH3+]Cc1ccnn1C1CCCC1 72209696 169225454 /nfs/dbraw/zinc/22/54/54/169225454.db2.gz SHQMBVBTVYDMGW-UHFFFAOYSA-N 1 0 165.240 1.457 50 0 ADAARO [NH3+]Cc1ccncc1C(F)(F)F 82868791 169225481 /nfs/dbraw/zinc/22/54/81/169225481.db2.gz SHQZCVNMYKUWJM-UHFFFAOYSA-N 1 0 176.141 1.559 50 0 ADAARO [NH3+]Cc1ccsc1Cl 83268055 169225495 /nfs/dbraw/zinc/22/54/95/169225495.db2.gz XPAXPYCTXJJFCB-UHFFFAOYSA-N 1 0 147.630 1.860 50 0 ADAARO [NH3+]Cc1ccnc(C(F)F)c1 91252207 169225551 /nfs/dbraw/zinc/22/55/51/169225551.db2.gz SKGOOBUIFCJHRZ-UHFFFAOYSA-N 1 0 158.151 1.478 50 0 in-vitro ADAARO [NH3+]Cc1c[nH]nc1-c1cccs1 19088078 169225583 /nfs/dbraw/zinc/22/55/83/169225583.db2.gz SFJAYMBBHVEYSM-UHFFFAOYSA-N 1 0 179.248 1.597 50 0 ADAARO [NH3+]Cc1cccnc1Cl 2547995 169225601 /nfs/dbraw/zinc/22/56/01/169225601.db2.gz LTUCSFLPOBNIHD-UHFFFAOYSA-N 1 0 142.589 1.194 50 0 in-vitro ADAARO [NH3+]Cc1ccsc1 158761 169225626 /nfs/dbraw/zinc/22/56/26/169225626.db2.gz DUDAKCCDHRNMDJ-UHFFFAOYSA-N 1 0 113.185 1.207 50 0 in-vitro ADAARO [NH3+]Cc1cn2cc(Cl)ccc2n1 6438252 169225647 /nfs/dbraw/zinc/22/56/47/169225647.db2.gz KQUKOYAROPXCGD-UHFFFAOYSA-N 1 0 181.626 1.446 50 0 in-vitro ADAARO [NH3+]Cc1cn(C2CCC2)cn1 107325298 169225656 /nfs/dbraw/zinc/22/56/56/169225656.db2.gz ZRPMUTTXXVPEJY-UHFFFAOYSA-N 1 0 151.213 1.067 50 0 ADAARO [NH3+]Cc1cccnc1OC1CCCC1 22220502 169225690 /nfs/dbraw/zinc/22/56/90/169225690.db2.gz RZPYLOUPWTVBSC-UHFFFAOYSA-N 1 0 192.262 1.862 50 0 in-vitro ADAARO [NH3+]Cc1ccncc1Cl 35569966 169225693 /nfs/dbraw/zinc/22/56/93/169225693.db2.gz AAEMFCVTGBYCHP-UHFFFAOYSA-N 1 0 142.589 1.194 50 0 ADAARO [NH3+]Cc1ccncc1Br 35569968 169225722 /nfs/dbraw/zinc/22/57/22/169225722.db2.gz ZCDOXSAQHKFABB-UHFFFAOYSA-N 1 0 187.040 1.303 50 0 in-vitro ADAARO [NH3+]Cc1ccnc2c1CCCC2 82850590 169225776 /nfs/dbraw/zinc/22/57/76/169225776.db2.gz AGODONHWDOQBKK-UHFFFAOYSA-N 1 0 162.236 1.419 50 0 ADAARO [NH3+]Cc1ccnc(NC2CC2)c1 50423138 169225783 /nfs/dbraw/zinc/22/57/83/169225783.db2.gz FRBPCIAHMXDUDZ-UHFFFAOYSA-N 1 0 163.224 1.115 50 0 in-vitro ADAARO [NH3+]Cc1ccnc(C(F)(F)F)c1 35569980 169225863 /nfs/dbraw/zinc/22/58/63/169225863.db2.gz LETQLOMLPJORPB-UHFFFAOYSA-N 1 0 176.141 1.559 50 0 in-vitro ADAARO [NH3+]Cc1cccnc1N1CCCC1 34689287 169225895 /nfs/dbraw/zinc/22/58/95/169225895.db2.gz VMMFMWFKCCKFII-UHFFFAOYSA-N 1 0 177.251 1.141 50 0 in-vitro ADAARO [NH3+]Cc1ccnc(Cl)c1F 83339719 169225907 /nfs/dbraw/zinc/22/59/07/169225907.db2.gz YOIOTDMJOCUDBE-UHFFFAOYSA-N 1 0 160.579 1.333 50 0 ADAARO [NH3+]Cc1ccsc1Br 166970 169225911 /nfs/dbraw/zinc/22/59/11/169225911.db2.gz SLKZUJBSIKGHFU-UHFFFAOYSA-N 1 0 192.081 1.969 50 0 in-vitro ADAARO [NH3+]Cc1ccnc(OC2CCCC2)c1 22220970 169225914 /nfs/dbraw/zinc/22/59/14/169225914.db2.gz ZOVABZICAJRXLO-UHFFFAOYSA-N 1 0 192.262 1.862 50 0 in-vitro ADAARO [NH3+]Cc1ccn(-c2ccccc2)n1 32831473 169225935 /nfs/dbraw/zinc/22/59/35/169225935.db2.gz RXHPGUCJGZFJPA-UHFFFAOYSA-N 1 0 173.219 1.331 50 0 in-vitro ADAARO [NH3+]Cc1cn(Cc2ccccc2)cn1 71500042 169225953 /nfs/dbraw/zinc/22/59/53/169225953.db2.gz ZVBFNQKWCMNZCV-UHFFFAOYSA-N 1 0 187.246 1.390 50 0 ADAARO [NH3+]Cc1cn(CC2CCC2)cn1 255187920 169226068 /nfs/dbraw/zinc/22/60/68/169226068.db2.gz HQBCXIIYPRLVQS-UHFFFAOYSA-N 1 0 165.240 1.142 50 0 ADAARO [NH3+]Cc1ccnn1Cc1ccccc1 70708243 169226073 /nfs/dbraw/zinc/22/60/73/169226073.db2.gz HXGVEWMZJGHRLU-UHFFFAOYSA-N 1 0 187.246 1.390 50 0 ADAARO [NH3+]Cc1ccnn1[C@H]1CCCCO1 97756614 169226108 /nfs/dbraw/zinc/22/61/08/169226108.db2.gz JRAVVMHGQVQNIQ-SECBINFHSA-N 1 0 181.239 1.041 50 0 ADAARO [NH3+]Cc1ccnn1[C@@H]1CCCCO1 97756613 169226123 /nfs/dbraw/zinc/22/61/23/169226123.db2.gz JRAVVMHGQVQNIQ-VIFPVBQESA-N 1 0 181.239 1.041 50 0 ADAARO [NH3+]Cc1ccnc(OCC2CCC2)n1 98214036 169226148 /nfs/dbraw/zinc/22/61/48/169226148.db2.gz XRMOJUDZTHRMQJ-UHFFFAOYSA-N 1 0 193.250 1.114 50 0 ADAARO [NH3+]Cc1ccnc(C2CC2)c1 82408727 169226162 /nfs/dbraw/zinc/22/61/62/169226162.db2.gz UVUFSQSQRVNXLH-UHFFFAOYSA-N 1 0 148.209 1.418 50 0 in-vitro ADAARO [NH3+]Cc1cccnc1OCC(F)F 88613609 169226192 /nfs/dbraw/zinc/22/61/92/169226192.db2.gz BQXGTYLMPDFMML-UHFFFAOYSA-N 1 0 188.177 1.184 50 0 ADAARO [NH3+]Cc1cccs1 154648 169226208 /nfs/dbraw/zinc/22/62/08/169226208.db2.gz FKKJJPMGAWGYPN-UHFFFAOYSA-N 1 0 113.185 1.207 50 0 in-vitro ADAARO [NH3+]Cc1ccnc(OC(F)F)c1 91351525 169226245 /nfs/dbraw/zinc/22/62/45/169226245.db2.gz LNUNPTNLRWDQQO-UHFFFAOYSA-N 1 0 174.150 1.142 50 0 in-vitro ADAARO [NH3+]Cc1ccnc(N2CCCC2)c1 19230033 169226254 /nfs/dbraw/zinc/22/62/54/169226254.db2.gz BNVQNNKKUNFIND-UHFFFAOYSA-N 1 0 177.251 1.141 50 0 in-vitro ADAARO [NH3+]Cc1ccnc2[nH]ccc12 20446147 169226286 /nfs/dbraw/zinc/22/62/86/169226286.db2.gz KPNRVZRVBULYGJ-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO [NH3+]Cc1cnc(-c2ccccc2)o1 41198817 169226316 /nfs/dbraw/zinc/22/63/16/169226316.db2.gz YSIWUHZRXBCISV-UHFFFAOYSA-N 1 0 174.203 1.800 50 0 ADAARO [NH3+]Cc1ccnc2ccccc12 2553923 169226322 /nfs/dbraw/zinc/22/63/22/169226322.db2.gz BVQGQPVMVBOTID-UHFFFAOYSA-N 1 0 158.204 1.694 50 0 in-vitro ADAARO [NH3+]Cc1ccn(Cc2ccccc2)n1 70651351 169226356 /nfs/dbraw/zinc/22/63/56/169226356.db2.gz FNPPCMTXXTXSQK-UHFFFAOYSA-N 1 0 187.246 1.390 50 0 in-vitro ADAARO [NH3+]Cc1cn2cc(Cl)sc2n1 34929186 169226375 /nfs/dbraw/zinc/22/63/75/169226375.db2.gz IIIAJLDBBPWBDM-UHFFFAOYSA-N 1 0 187.655 1.508 50 0 ADAARO [NH3+]Cc1coc(-c2ccccc2)n1 14808450 169226689 /nfs/dbraw/zinc/22/66/89/169226689.db2.gz NGYFPQIRGGHIHK-UHFFFAOYSA-N 1 0 174.203 1.800 50 0 in-vitro ADAARO [NH3+]Cc1cnc2c(F)cccc2c1 62566780 169226704 /nfs/dbraw/zinc/22/67/04/169226704.db2.gz XEVYXTJXXQGUIR-UHFFFAOYSA-N 1 0 176.194 1.833 50 0 in-vitro ADAARO [NH3+]Cc1cnc2ccccc2c1 4854975 169226715 /nfs/dbraw/zinc/22/67/15/169226715.db2.gz VKKZSJQQRIGUIE-UHFFFAOYSA-N 1 0 158.204 1.694 50 0 in-vitro ADAARO [NH3+]Cc1cnccc1Br 66352330 169226765 /nfs/dbraw/zinc/22/67/65/169226765.db2.gz BCSXLCYWDRHBGE-UHFFFAOYSA-N 1 0 187.040 1.303 50 0 ADAARO [NH3+]Cc1cncn1CC1CCC1 85196767 169226790 /nfs/dbraw/zinc/22/67/90/169226790.db2.gz PFDWNJAARMVMRN-UHFFFAOYSA-N 1 0 165.240 1.142 50 0 ADAARO [NH3+]Cc1cncc(Br)c1 12370809 169226821 /nfs/dbraw/zinc/22/68/21/169226821.db2.gz OQUHYNMITHDQLD-UHFFFAOYSA-N 1 0 187.040 1.303 50 0 in-vitro ADAARO [NH3+]Cc1cncc(-c2cccnc2)c1 82635710 169226889 /nfs/dbraw/zinc/22/68/89/169226889.db2.gz ICWVJZOXYYPLRS-UHFFFAOYSA-N 1 0 185.230 1.602 50 0 ADAARO [NH3+]Cc1cnc(Cl)cc1Cl 95616404 169226930 /nfs/dbraw/zinc/22/69/30/169226930.db2.gz JFGSACPJTUATFY-UHFFFAOYSA-N 1 0 177.034 1.847 50 0 in-vitro ADAARO [NH3+]Cc1cnn(-c2ccccc2)c1 4087883 169226977 /nfs/dbraw/zinc/22/69/77/169226977.db2.gz GSCUJPMBXNFQAF-UHFFFAOYSA-N 1 0 173.219 1.331 50 0 in-vitro ADAARO [NH3+]Cc1cnccc1C(F)(F)F 2529126 169226988 /nfs/dbraw/zinc/22/69/88/169226988.db2.gz BNOMILFMXFLECU-UHFFFAOYSA-N 1 0 176.141 1.559 50 0 in-vitro ADAARO [NH3+]Cc1cnn(Cc2ccccc2)c1 14808403 169227132 /nfs/dbraw/zinc/22/71/32/169227132.db2.gz MSUNGGQPLNEWHJ-UHFFFAOYSA-N 1 0 187.246 1.390 50 0 ADAARO [NH3+]Cc1cncc(C2CC2)c1 82631731 169227154 /nfs/dbraw/zinc/22/71/54/169227154.db2.gz KMPVDFBSLSKVMG-UHFFFAOYSA-N 1 0 148.209 1.418 50 0 ADAARO [NH3+]Cc1cnc(Cl)s1 16082608 169227174 /nfs/dbraw/zinc/22/71/74/169227174.db2.gz KCDQBIMJBRASQE-UHFFFAOYSA-N 1 0 148.618 1.255 50 0 in-vitro ADAARO [NH3+]Cc1cnc(C2CC2)o1 41166901 169227260 /nfs/dbraw/zinc/22/72/60/169227260.db2.gz YZSLAVDUXCDFRL-UHFFFAOYSA-N 1 0 138.170 1.011 50 0 ADAARO [NH3+]Cc1coc(-c2ccc(F)cc2)n1 19723024 169227290 /nfs/dbraw/zinc/22/72/90/169227290.db2.gz CGTLKOTUAWCRDT-UHFFFAOYSA-N 1 0 192.193 1.939 50 0 in-vitro ADAARO [NH3+]Cc1cncc(Cl)c1 35570034 169227308 /nfs/dbraw/zinc/22/73/08/169227308.db2.gz PYJXHOFNDOAAPO-UHFFFAOYSA-N 1 0 142.589 1.194 50 0 in-vitro ADAARO [NH3+]Cc1cncc2ccccc12 20445660 169227324 /nfs/dbraw/zinc/22/73/24/169227324.db2.gz ZTMHEIRKNHCJEG-UHFFFAOYSA-N 1 0 158.204 1.694 50 0 in-vitro ADAARO [NH3+]Cc1cnccc1Cl 35570032 169227327 /nfs/dbraw/zinc/22/73/27/169227327.db2.gz ORHVJXZYOADENO-UHFFFAOYSA-N 1 0 142.589 1.194 50 0 in-vitro ADAARO [NH3+]Cc1cnc2c(c1)CCC2 2480841 169227368 /nfs/dbraw/zinc/22/73/68/169227368.db2.gz DYDVLUHYJPUDJX-UHFFFAOYSA-N 1 0 148.209 1.029 50 0 in-vitro ADAARO [NH3+]Cc1cncc(C(F)(F)F)c1 35570040 169227438 /nfs/dbraw/zinc/22/74/38/169227438.db2.gz YYZHUSBRLJVFTG-UHFFFAOYSA-N 1 0 176.141 1.559 50 0 in-vitro ADAARO [NH3+]Cc1cncn1C1CCC1 85198631 169227441 /nfs/dbraw/zinc/22/74/41/169227441.db2.gz YIOCJKBBWHDPJF-UHFFFAOYSA-N 1 0 151.213 1.067 50 0 ADAARO [NH3+]Cc1coc(-c2cccs2)n1 8183750 169227460 /nfs/dbraw/zinc/22/74/60/169227460.db2.gz FCSLMYPGDAPEJF-UHFFFAOYSA-N 1 0 180.232 1.862 50 0 in-vitro ADAARO [NH3+]Cc1cnoc1C1CC1 82631458 169227466 /nfs/dbraw/zinc/22/74/66/169227466.db2.gz LREWOSBOZUCNSE-UHFFFAOYSA-N 1 0 138.170 1.011 50 0 ADAARO [NH3+]Cc1cnc2ccccc2n1 2548432 169227497 /nfs/dbraw/zinc/22/74/97/169227497.db2.gz BVAQGRPUYKZUDD-UHFFFAOYSA-N 1 0 159.192 1.089 50 0 ADAARO [NH3+]Cc1cnn([C@@H]2CCCCO2)c1 91351460 169227532 /nfs/dbraw/zinc/22/75/32/169227532.db2.gz AMLIQJDXZAPTJT-VIFPVBQESA-N 1 0 181.239 1.041 50 0 ADAARO [NH3+]Cc1cnc2ccsc2c1 68592176 169227539 /nfs/dbraw/zinc/22/75/39/169227539.db2.gz TZKSFZUQHBKGLP-UHFFFAOYSA-N 1 0 164.233 1.755 50 0 in-vitro ADAARO [NH3+]Cc1cnc2c(c1)CCCC2 20438985 169227643 /nfs/dbraw/zinc/22/76/43/169227643.db2.gz CCTMHSMYQLQWKL-UHFFFAOYSA-N 1 0 162.236 1.419 50 0 ADAARO [NH3+]Cc1cnc(Br)s1 34492479 169227686 /nfs/dbraw/zinc/22/76/86/169227686.db2.gz JZLXHPPZGZESTM-UHFFFAOYSA-N 1 0 193.069 1.364 50 0 in-vitro ADAARO [NH3+]Cc1cnn(-c2cccc(F)c2)c1 19088446 169227777 /nfs/dbraw/zinc/22/77/77/169227777.db2.gz CCPWGSMNBSDCGL-UHFFFAOYSA-N 1 0 191.209 1.470 50 0 in-vitro ADAARO [NH3+]Cc1cnn([C@H]2CCCCO2)c1 91351462 169227780 /nfs/dbraw/zinc/22/77/80/169227780.db2.gz AMLIQJDXZAPTJT-SECBINFHSA-N 1 0 181.239 1.041 50 0 ADAARO [NH3+]Cc1cnc2[nH]ccc2c1 6643330 169227834 /nfs/dbraw/zinc/22/78/34/169227834.db2.gz QIPKJJHSPMUFFY-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO [NH3+]Cc1cnn(-c2ccc(F)cc2)c1 19088439 169227875 /nfs/dbraw/zinc/22/78/75/169227875.db2.gz TVCUTKMSLJTCCY-UHFFFAOYSA-N 1 0 191.209 1.470 50 0 in-vitro ADAARO [NH3+]Cc1cnc(Cl)c(Cl)c1 83340294 169227965 /nfs/dbraw/zinc/22/79/65/169227965.db2.gz YFNLVAXPMZDFMT-UHFFFAOYSA-N 1 0 177.034 1.847 50 0 in-vitro ADAARO [NH3+]Cc1cncn1Cc1ccccc1 76632452 169227976 /nfs/dbraw/zinc/22/79/76/169227976.db2.gz KDMWHEHUZDZDRH-UHFFFAOYSA-N 1 0 187.246 1.390 50 0 ADAARO [NH3+]Cc1csc(-c2ccccn2)n1 11568378 169228205 /nfs/dbraw/zinc/22/82/05/169228205.db2.gz KNFBGVRVUJFFPN-UHFFFAOYSA-N 1 0 191.259 1.664 50 0 in-vitro ADAARO [NH3+]Cc1csc(-c2ccncc2)n1 11568380 169228232 /nfs/dbraw/zinc/22/82/32/169228232.db2.gz NWRYLBAHGOIQNT-UHFFFAOYSA-N 1 0 191.259 1.664 50 0 ADAARO [NH3+]Cc1nc2c(F)c(F)ccc2[nH]1 72232992 169228259 /nfs/dbraw/zinc/22/82/59/169228259.db2.gz MKGJVQVBWXQDGQ-UHFFFAOYSA-N 1 0 183.161 1.300 50 0 ADAARO [NH3+]Cc1nc(Br)cs1 35269696 169228296 /nfs/dbraw/zinc/22/82/96/169228296.db2.gz TWNJOLKBUQYMEW-UHFFFAOYSA-N 1 0 193.069 1.364 50 0 in-vitro ADAARO [NH3+]Cc1csc(Br)n1 72233173 169228311 /nfs/dbraw/zinc/22/83/11/169228311.db2.gz CFLZGQCWZFJGDN-UHFFFAOYSA-N 1 0 193.069 1.364 50 0 ADAARO [NH3+]Cc1nc2cc(F)c(Cl)cc2[nH]1 62152750 169228499 /nfs/dbraw/zinc/22/84/99/169228499.db2.gz JNIUBYBARDPBID-UHFFFAOYSA-N 1 0 199.616 1.814 50 0 ADAARO [NH3+]Cc1nc2cc(F)c(F)cc2[nH]1 35412297 169228558 /nfs/dbraw/zinc/22/85/58/169228558.db2.gz AODHQBAAVZEIHR-UHFFFAOYSA-N 1 0 183.161 1.300 50 0 ADAARO [NH3+]Cc1nnc(-c2cccc(F)c2)[nH]1 61843835 169228595 /nfs/dbraw/zinc/22/85/95/169228595.db2.gz CFCJAOZEVOEOPW-UHFFFAOYSA-N 1 0 192.197 1.070 50 0 ADAARO [NH3+]Cc1nc(-c2ccccc2)c[nH]1 32628209 169228611 /nfs/dbraw/zinc/22/86/11/169228611.db2.gz HRELUUJYACRYGH-UHFFFAOYSA-N 1 0 173.219 1.535 50 0 in-vitro ADAARO [NH3+]Cc1[nH]nc2cc(F)ccc12 48981188 169228615 /nfs/dbraw/zinc/22/86/15/169228615.db2.gz WHNKYDOGHWSDBL-UHFFFAOYSA-N 1 0 165.171 1.161 50 0 ADAARO [NH3+]Cc1nc(-c2ccc(F)cc2)c[nH]1 36870954 169228629 /nfs/dbraw/zinc/22/86/29/169228629.db2.gz AJSVWOCYSPNHEA-UHFFFAOYSA-N 1 0 191.209 1.675 50 0 in-vitro ADAARO [NH3+]Cc1csc(-c2cccnc2)n1 11568379 169228649 /nfs/dbraw/zinc/22/86/49/169228649.db2.gz BFNHUZQJGDZJNQ-UHFFFAOYSA-N 1 0 191.259 1.664 50 0 ADAARO [NH3+]Cc1csc(Cl)c1 83268056 169228810 /nfs/dbraw/zinc/22/88/10/169228810.db2.gz LYPVLWZGILSXRK-UHFFFAOYSA-N 1 0 147.630 1.860 50 0 in-vitro ADAARO [NH3+]Cc1conc1C1CC1 82410696 169228821 /nfs/dbraw/zinc/22/88/21/169228821.db2.gz MZEAEMDUAQAURH-UHFFFAOYSA-N 1 0 138.170 1.011 50 0 ADAARO [NH3+]Cc1[nH]nc2ccccc12 24553243 169228887 /nfs/dbraw/zinc/22/88/87/169228887.db2.gz GMIODCDIPHWWQY-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO [NH3+]Cc1nc2c(s1)CCC2 11631694 169228919 /nfs/dbraw/zinc/22/89/19/169228919.db2.gz BBBLJXKIYXCATQ-UHFFFAOYSA-N 1 0 154.238 1.091 50 0 ADAARO [NH3+]Cc1nc(C(F)(F)F)cs1 3710555 169228953 /nfs/dbraw/zinc/22/89/53/169228953.db2.gz PUPALALGCYBWGE-UHFFFAOYSA-N 1 0 182.170 1.621 50 0 in-vitro ADAARO [NH3+]Cc1csc(C(F)(F)F)n1 20445801 169229048 /nfs/dbraw/zinc/22/90/48/169229048.db2.gz FNVNZSFAYIKOJQ-UHFFFAOYSA-N 1 0 182.170 1.621 50 0 ADAARO [NH3+]Cc1nc2cc(F)ccc2[nH]1 11567868 169229055 /nfs/dbraw/zinc/22/90/55/169229055.db2.gz BFKMHHYAXUAKPA-UHFFFAOYSA-N 1 0 165.171 1.161 50 0 ADAARO [NH3+]Cc1csc(N2CCCC2)n1 40457323 169229097 /nfs/dbraw/zinc/22/90/97/169229097.db2.gz KIVGJSNEKIDRPI-UHFFFAOYSA-N 1 0 183.280 1.202 50 0 in-vitro ADAARO [NH3+]Cc1[nH]nc2c1CCCCC2 19088453 169229119 /nfs/dbraw/zinc/22/91/19/169229119.db2.gz UVLMQESMQZYYNE-UHFFFAOYSA-N 1 0 165.240 1.137 50 0 in-vitro ADAARO [NH3+]Cc1conc1-c1ccc(O)cc1 6658029 169229182 /nfs/dbraw/zinc/22/91/82/169229182.db2.gz KJVLKZPXUSFRSN-UHFFFAOYSA-N 1 0 190.202 1.506 50 0 ADAARO [NH3+]Cc1nc2c(s1)CCCC2 3709661 169229262 /nfs/dbraw/zinc/22/92/62/169229262.db2.gz MVXOUEFCXDHEAR-UHFFFAOYSA-N 1 0 168.265 1.481 50 0 in-vitro ADAARO [NH3+]Cc1nc2cnc3ccccc3c2[nH]1 40539491 169229351 /nfs/dbraw/zinc/22/93/51/169229351.db2.gz NKVLLSXYCVOPMQ-UHFFFAOYSA-N 1 0 198.229 1.570 50 0 ADAARO [NH3+]Cc1csc2cccnc12 82851049 169229405 /nfs/dbraw/zinc/22/94/05/169229405.db2.gz QHMXFQLRYZICSL-UHFFFAOYSA-N 1 0 164.233 1.755 50 0 ADAARO [NH3+]Cc1coc2ccccc12 24429085 169229426 /nfs/dbraw/zinc/22/94/26/169229426.db2.gz YATHOKUVGYAFOO-UHFFFAOYSA-N 1 0 147.177 1.892 50 0 in-vitro ADAARO [NH3+]Cc1csc(-c2ccco2)n1 40430789 169229616 /nfs/dbraw/zinc/22/96/16/169229616.db2.gz KMYUKFRLLCUUTD-UHFFFAOYSA-N 1 0 180.232 1.862 50 0 in-vitro ADAARO [NH3+]Cc1csc(-c2ncccn2)n1 29866045 169229626 /nfs/dbraw/zinc/22/96/26/169229626.db2.gz MUSXSXZMNZRQOG-UHFFFAOYSA-N 1 0 192.247 1.059 50 0 in-vitro ADAARO [NH3+]Cc1nc2c(s1)CCCCC2 336240 169229644 /nfs/dbraw/zinc/22/96/44/169229644.db2.gz HOXOBYOSXFZYKJ-UHFFFAOYSA-N 1 0 182.292 1.871 50 0 ADAARO [NH3+]Cc1csc(C2CC2)n1 20438700 169229670 /nfs/dbraw/zinc/22/96/70/169229670.db2.gz FPTUAEIUVOUZOR-UHFFFAOYSA-N 1 0 154.238 1.479 50 0 in-vitro ADAARO [NH3+]Cc1csc(-c2cnccn2)n1 19092828 169229687 /nfs/dbraw/zinc/22/96/87/169229687.db2.gz HHHJBCALZJNSBZ-UHFFFAOYSA-N 1 0 192.247 1.059 50 0 ADAARO [NH3+]Cc1nc(-c2ccccn2)cs1 11887240 169229725 /nfs/dbraw/zinc/22/97/25/169229725.db2.gz NQLOLBKXNIDNCZ-UHFFFAOYSA-N 1 0 191.259 1.664 50 0 ADAARO [NH3+]Cc1nc(C2CC2)cs1 3710556 169229728 /nfs/dbraw/zinc/22/97/28/169229728.db2.gz CQIWKLBEIZIGBA-UHFFFAOYSA-N 1 0 154.238 1.479 50 0 in-vitro ADAARO [NH3+]Cc1nc(-c2cccnc2)cs1 19817765 169229858 /nfs/dbraw/zinc/22/98/58/169229858.db2.gz OMSJIRJKKOZVGR-UHFFFAOYSA-N 1 0 191.259 1.664 50 0 ADAARO [NH3+]Cc1nnc(-c2ccc(F)cc2)[nH]1 57218726 169229879 /nfs/dbraw/zinc/22/98/79/169229879.db2.gz KUSAGHHPLAXERW-UHFFFAOYSA-N 1 0 192.197 1.070 50 0 in-vitro ADAARO [NH3+]Cc1nc(-c2ccncc2)cs1 19817725 169229932 /nfs/dbraw/zinc/22/99/32/169229932.db2.gz URVHYFCPQPKWDZ-UHFFFAOYSA-N 1 0 191.259 1.664 50 0 in-vitro ADAARO [NH3+]Cc1[nH]nc2ccc(Cl)cc12 34215886 169229939 /nfs/dbraw/zinc/22/99/39/169229939.db2.gz ZXSPLSWAOXLBQY-UHFFFAOYSA-N 1 0 181.626 1.675 50 0 ADAARO [NH3+]Cc1nc(C2CC2)oc1C1CC1 72233245 169229979 /nfs/dbraw/zinc/22/99/79/169229979.db2.gz FGZMPGKTUYJEAL-UHFFFAOYSA-N 1 0 178.235 1.888 50 0 ADAARO [NH3+]Cc1csc(Br)c1 32627505 169230022 /nfs/dbraw/zinc/23/00/22/169230022.db2.gz UFUFMUBLBXBJGC-UHFFFAOYSA-N 1 0 192.081 1.969 50 0 in-vitro ADAARO [NH3+]Cc1nc(-c2cccs2)c[nH]1 36870966 169230026 /nfs/dbraw/zinc/23/00/26/169230026.db2.gz FUFIITZPPZBALI-UHFFFAOYSA-N 1 0 179.248 1.597 50 0 in-vitro ADAARO [NH3+]Cc1nc2cc(Cl)ccc2[nH]1 6677279 169230049 /nfs/dbraw/zinc/23/00/49/169230049.db2.gz WVBPEUGZSSDGPT-UHFFFAOYSA-N 1 0 181.626 1.675 50 0 in-vitro ADAARO [NH3+]Cc1nc2ccccc2[nH]1 119677 169230269 /nfs/dbraw/zinc/23/02/69/169230269.db2.gz UCOSRTUSVXHIMK-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO [NH3+]Cc1nc2ccccc2n1C1CC1 36896051 169230354 /nfs/dbraw/zinc/23/03/54/169230354.db2.gz RSOPWQIPSPAAHW-UHFFFAOYSA-N 1 0 187.246 1.830 50 0 in-vitro ADAARO [NH3+]Cc1nccn1Cc1ccccc1 2506140 169230650 /nfs/dbraw/zinc/23/06/50/169230650.db2.gz WAKASDKZDPCQPA-UHFFFAOYSA-N 1 0 187.246 1.390 50 0 ADAARO [NH3+]Cc1nccc(Cl)c1F 95761856 169230667 /nfs/dbraw/zinc/23/06/67/169230667.db2.gz ZCSGHHVJWIODFQ-UHFFFAOYSA-N 1 0 160.579 1.333 50 0 ADAARO [NH3+]Cc1nccn1-c1ccccc1 11730748 169230789 /nfs/dbraw/zinc/23/07/89/169230789.db2.gz WDWASGPHKLJRRZ-UHFFFAOYSA-N 1 0 173.219 1.331 50 0 ADAARO [NH3+]Cc1nc2ccccc2n1C(F)F 40544213 169230974 /nfs/dbraw/zinc/23/09/74/169230974.db2.gz WPPSMDPDCBTQCY-UHFFFAOYSA-N 1 0 197.188 1.890 50 0 ADAARO [NH3+]Cc1nc2ccccc2s1 158627 169231093 /nfs/dbraw/zinc/23/10/93/169231093.db2.gz VLBUERZRFSORRZ-UHFFFAOYSA-N 1 0 164.233 1.755 50 0 in-vitro ADAARO [NH3+]Cc1ncccc1C(F)(F)F 94986199 169231130 /nfs/dbraw/zinc/23/11/30/169231130.db2.gz WJKDJSRGLDAXHI-UHFFFAOYSA-N 1 0 176.141 1.559 50 0 in-vitro ADAARO [NH3+]Cc1ncccc1Br 40176281 169231162 /nfs/dbraw/zinc/23/11/62/169231162.db2.gz VBLKGQOKUPVXSS-UHFFFAOYSA-N 1 0 187.040 1.303 50 0 in-vitro ADAARO [NH3+]Cc1ncccc1Cl 2548008 169231204 /nfs/dbraw/zinc/23/12/04/169231204.db2.gz QPRZPKGMUJBNPY-UHFFFAOYSA-N 1 0 142.589 1.194 50 0 in-vitro ADAARO [NH3+]Cc1ncoc1C1CC1 82637681 169231308 /nfs/dbraw/zinc/23/13/08/169231308.db2.gz KYUCQLPLNZQLIV-UHFFFAOYSA-N 1 0 138.170 1.011 50 0 ADAARO [NH3+]Cc1ncc(Cl)cc1F 66322846 169231408 /nfs/dbraw/zinc/23/14/08/169231408.db2.gz VJWGDXIMZSUCJE-UHFFFAOYSA-N 1 0 160.579 1.333 50 0 in-vitro ADAARO [NH3+]Cc1nccc(-c2ccccc2)n1 20440308 169231629 /nfs/dbraw/zinc/23/16/29/169231629.db2.gz OXTHQFCAVUANRV-UHFFFAOYSA-N 1 0 185.230 1.602 50 0 ADAARO [NH3+]Cc1nc2cnccc2s1 74339158 169231644 /nfs/dbraw/zinc/23/16/44/169231644.db2.gz WRUWMHXUVGTRDP-UHFFFAOYSA-N 1 0 165.221 1.150 50 0 ADAARO [NH3+]Cc1nccc2ccccc12 1304683 169231740 /nfs/dbraw/zinc/23/17/40/169231740.db2.gz FEWQWMKPPJZYCQ-UHFFFAOYSA-N 1 0 158.204 1.694 50 0 in-vitro ADAARO [NH3+]Cc1ncc(Cl)cc1Cl 44250302 169231744 /nfs/dbraw/zinc/23/17/44/169231744.db2.gz LIGTYWXFNMUFFP-UHFFFAOYSA-N 1 0 177.034 1.847 50 0 ADAARO [NH3+]Cc1ncc(F)cc1Cl 91692936 169231849 /nfs/dbraw/zinc/23/18/49/169231849.db2.gz KKJMCACONZERJV-UHFFFAOYSA-N 1 0 160.579 1.333 50 0 in-vitro ADAARO [NH3+]Cc1ncc(Cl)s1 83138007 169231903 /nfs/dbraw/zinc/23/19/03/169231903.db2.gz NLZDROFQZLACEY-UHFFFAOYSA-N 1 0 148.618 1.255 50 0 in-vitro ADAARO [NH3+]Cc1ncc(Br)s1 83825518 169231925 /nfs/dbraw/zinc/23/19/25/169231925.db2.gz SGAFLPBSMPKKCX-UHFFFAOYSA-N 1 0 193.069 1.364 50 0 in-vitro ADAARO [NH3+]Cc1ncc(Cl)nc1Cl 238603559 169231964 /nfs/dbraw/zinc/23/19/64/169231964.db2.gz YBOFANNRTUZILT-UHFFFAOYSA-N 1 0 178.022 1.242 50 0 ADAARO [NH3+]Cc1ncccc1C1CC1 17939007 169231969 /nfs/dbraw/zinc/23/19/69/169231969.db2.gz XGDYXMGROZBQIU-UHFFFAOYSA-N 1 0 148.209 1.418 50 0 ADAARO [NH3+]Cc1noc2ccccc12 20438891 169232051 /nfs/dbraw/zinc/23/20/51/169232051.db2.gz NJPJEUXBRLCEDZ-UHFFFAOYSA-N 1 0 148.165 1.287 50 0 in-vitro ADAARO [NH3+]Cc1nsc2ccccc12 75546278 169232107 /nfs/dbraw/zinc/23/21/07/169232107.db2.gz OLCBZIWAXGUORO-UHFFFAOYSA-N 1 0 164.233 1.755 50 0 ADAARO [NH3+]Cc1noc2c1CCCC2 20270528 169232180 /nfs/dbraw/zinc/23/21/80/169232180.db2.gz FKSNGQGSTFVDQX-UHFFFAOYSA-N 1 0 152.197 1.012 50 0 in-vitro ADAARO [NH3+]Cc1noc2cc(F)ccc12 20446571 169232235 /nfs/dbraw/zinc/23/22/35/169232235.db2.gz VLOWYMFNFSVUDD-UHFFFAOYSA-N 1 0 166.155 1.426 50 0 in-vitro ADAARO [NH3+]Cc1noc2c1CCCCC2 82402967 169232471 /nfs/dbraw/zinc/23/24/71/169232471.db2.gz XGHSOUVFYMJHIA-UHFFFAOYSA-N 1 0 166.224 1.402 50 0 ADAARO [NH3+]Cc1sccc1Cl 15021039 169232558 /nfs/dbraw/zinc/23/25/58/169232558.db2.gz DLUFGSSNIBZCNZ-UHFFFAOYSA-N 1 0 147.630 1.860 50 0 in-vitro ADAARO [NH3+]Cc1noc2cc(Cl)ccc12 98213263 169232657 /nfs/dbraw/zinc/23/26/57/169232657.db2.gz BEDGWKZXKUPOPE-UHFFFAOYSA-N 1 0 182.610 1.940 50 0 ADAARO [NH3+]Cc1noc2ccc(F)cc12 82851814 169232678 /nfs/dbraw/zinc/23/26/78/169232678.db2.gz CXQIADUXTGWQFF-UHFFFAOYSA-N 1 0 166.155 1.426 50 0 in-vitro ADAARO [NH3+]Cc1nncn1C1CCCCC1 19090040 169232972 /nfs/dbraw/zinc/23/29/72/169232972.db2.gz KGYVXCXJTQNMPV-UHFFFAOYSA-N 1 0 180.255 1.242 50 0 ADAARO [NH3+]Cc1sccc1Br 39947632 169233065 /nfs/dbraw/zinc/23/30/65/169233065.db2.gz WXHVQZUFYUSQPH-UHFFFAOYSA-N 1 0 192.081 1.969 50 0 in-vitro ADAARO [NH3+]Cc1noc2ccc(Cl)cc12 20221762 169233255 /nfs/dbraw/zinc/23/32/55/169233255.db2.gz AKAIRIAKAFRBME-UHFFFAOYSA-N 1 0 182.610 1.940 50 0 ADAARO NNc1cc(Cl)cc[nH+]1 71791149 169237354 /nfs/dbraw/zinc/23/73/54/169237354.db2.gz QXWOSVIWAQWADL-UHFFFAOYSA-N 1 0 143.577 1.021 50 0 ADAARO NNc1cc(Br)cc[nH+]1 82046547 169237507 /nfs/dbraw/zinc/23/75/07/169237507.db2.gz JNOVZPGBPRDTHN-UHFFFAOYSA-N 1 0 188.028 1.130 50 0 in-vitro ADAARO NNc1cc(-c2ccccc2)nc[nH+]1 331980 169237580 /nfs/dbraw/zinc/23/75/80/169237580.db2.gz MHEQTHLCOHMJKR-UHFFFAOYSA-N 1 0 186.218 1.429 50 0 ADAARO NNc1ccc(Cl)c[nH+]1 8729997 169237611 /nfs/dbraw/zinc/23/76/11/169237611.db2.gz UXJYFOOFLZGBEK-UHFFFAOYSA-N 1 0 143.577 1.021 50 0 in-vitro ADAARO NNc1ccc(C(F)(F)F)c[nH+]1 1390093 169238039 /nfs/dbraw/zinc/23/80/39/169238039.db2.gz PDRJYGJBOYHPJC-UHFFFAOYSA-N 1 0 177.129 1.386 50 0 in-vitro ADAARO NNc1ccc(-c2ccccc2)n[nH+]1 3958451 169238048 /nfs/dbraw/zinc/23/80/48/169238048.db2.gz ZNGXOKMCRDQBON-UHFFFAOYSA-N 1 0 186.218 1.429 50 0 in-vitro ADAARO NNc1cc(C2CCC2)c(Cl)n[nH+]1 104531813 169238069 /nfs/dbraw/zinc/23/80/69/169238069.db2.gz IVRWVTZEDDEEBB-UHFFFAOYSA-N 1 0 198.657 1.683 50 0 ADAARO NNc1cc(C(F)(F)F)cc[nH+]1 16159621 169238074 /nfs/dbraw/zinc/23/80/74/169238074.db2.gz WZILPRUCOSGHAP-UHFFFAOYSA-N 1 0 177.129 1.386 50 0 in-vitro ADAARO NNc1ccc(Br)c[nH+]1 8700532 169238099 /nfs/dbraw/zinc/23/80/99/169238099.db2.gz QYQLEYTXFMOLEI-UHFFFAOYSA-N 1 0 188.028 1.130 50 0 in-vitro ADAARO NNc1[nH+]ccc2ccccc12 14988519 169239394 /nfs/dbraw/zinc/23/93/94/169239394.db2.gz IOOUWJDACLDFNP-UHFFFAOYSA-N 1 0 159.192 1.520 50 0 ADAARO NNc1[nH+]ccc2sccc12 19721973 169239417 /nfs/dbraw/zinc/23/94/17/169239417.db2.gz RFRPZHUSVWSBPJ-UHFFFAOYSA-N 1 0 165.221 1.582 50 0 in-vitro ADAARO NNc1[nH+]cnc2cc(Cl)ccc12 104571223 169239708 /nfs/dbraw/zinc/23/97/08/169239708.db2.gz AXWVAZNOXJFTFD-UHFFFAOYSA-N 1 0 194.625 1.569 50 0 ADAARO NNc1[nH+]cccc1C(F)(F)F 2379404 169239714 /nfs/dbraw/zinc/23/97/14/169239714.db2.gz TWPMJXZSKBAITM-UHFFFAOYSA-N 1 0 177.129 1.386 50 0 in-vitro ADAARO NNc1[nH+]cnc2cccc(F)c12 253393457 169239719 /nfs/dbraw/zinc/23/97/19/169239719.db2.gz RBFKAIMQUGFKOG-UHFFFAOYSA-N 1 0 178.170 1.055 50 0 ADAARO NNc1[nH+]cccc1Cl 1399821 169240107 /nfs/dbraw/zinc/24/01/07/169240107.db2.gz XAYCTBDPZIKHCW-UHFFFAOYSA-N 1 0 143.577 1.021 50 0 in-vitro ADAARO NNc1[nH+]cccc1Br 42375925 169240144 /nfs/dbraw/zinc/24/01/44/169240144.db2.gz DUQSXMSCIRLMCP-UHFFFAOYSA-N 1 0 188.028 1.130 50 0 in-vitro ADAARO [NH3+][C@@H](C1CC1)[C@H]1CCCOC1 17764432 169243031 /nfs/dbraw/zinc/24/30/31/169243031.db2.gz XPQMXYVACLNHHG-IUCAKERBSA-N 1 0 155.241 1.150 50 0 ADAARO [NH3+][C@@H](CC(F)(F)F)C1CC1 70621805 169243105 /nfs/dbraw/zinc/24/31/05/169243105.db2.gz RGFGDTLHPIWTRQ-YFKPBYRVSA-N 1 0 153.147 1.676 50 0 in-vitro ADAARO [NH3+][C@@H](C1CC1)[C@@H]1CCCOC1 17764426 169243194 /nfs/dbraw/zinc/24/31/94/169243194.db2.gz XPQMXYVACLNHHG-BDAKNGLRSA-N 1 0 155.241 1.150 50 0 ADAARO [NH3+][C@@H](C1CCOCC1)C1CC1 17764348 169243580 /nfs/dbraw/zinc/24/35/80/169243580.db2.gz BJPHMYGQSFUWNI-SECBINFHSA-N 1 0 155.241 1.150 50 0 ADAARO [NH3+][C@@H](C1CC1)[C@H]1CCCCO1 17764647 169243671 /nfs/dbraw/zinc/24/36/71/169243671.db2.gz MZAXHGASPQPTNW-BDAKNGLRSA-N 1 0 155.241 1.293 50 0 ADAARO [NH3+][C@@H](C1CC1)[C@@H]1CCCCO1 17764641 169243888 /nfs/dbraw/zinc/24/38/88/169243888.db2.gz MZAXHGASPQPTNW-IUCAKERBSA-N 1 0 155.241 1.293 50 0 ADAARO [NH3+][C@@H](CCCO)Cc1ccccc1 1567609 169244021 /nfs/dbraw/zinc/24/40/21/169244021.db2.gz ZUINCJZTERKRFJ-NSHDSACASA-N 1 0 179.263 1.329 50 0 in-vitro ADAARO [NH3+][C@@H](CCO)c1ccccc1F 4037476 169244064 /nfs/dbraw/zinc/24/40/64/169244064.db2.gz KPRDDNOUZSPGDK-VIFPVBQESA-N 1 0 169.199 1.208 50 0 in-vitro ADAARO [NH3+][C@@H](CCO)c1cccc(F)c1 12649860 169244116 /nfs/dbraw/zinc/24/41/16/169244116.db2.gz ZCLXAQLZFPYYQJ-VIFPVBQESA-N 1 0 169.199 1.208 50 0 in-vitro ADAARO [NH3+][C@@H](CF)c1ccc(F)cc1 20285849 169244160 /nfs/dbraw/zinc/24/41/60/169244160.db2.gz YOYLKDHQGZBJMV-QMMMGPOBSA-N 1 0 157.163 1.795 50 0 in-vitro ADAARO [NH3+][C@@H](CCO)c1ccsc1 4037696 169244190 /nfs/dbraw/zinc/24/41/90/169244190.db2.gz IBCAXZDSJMQRKQ-ZETCQYMHSA-N 1 0 157.238 1.130 50 0 ADAARO [NH3+][C@@H](CCO)C1CCCCC1 26895748 169244225 /nfs/dbraw/zinc/24/42/25/169244225.db2.gz INIIZXNMNKIITF-VIFPVBQESA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO [NH3+][C@@H](CO)C12CC3CC(CC(C3)C1)C2 289775 169244356 /nfs/dbraw/zinc/24/43/56/169244356.db2.gz HBUUJKSRVMGCEK-CRCJWISWSA-N 1 0 195.306 1.522 50 0 ADAARO [NH3+][C@@H](CCO)c1ccc(Cl)cc1 12649322 169244380 /nfs/dbraw/zinc/24/43/80/169244380.db2.gz JGNACDMQJLVKIU-VIFPVBQESA-N 1 0 185.654 1.722 50 0 in-vitro ADAARO [NH3+][C@@H](CCO)c1cccs1 4037278 169244406 /nfs/dbraw/zinc/24/44/06/169244406.db2.gz OQMOVOFGDQVPQM-LURJTMIESA-N 1 0 157.238 1.130 50 0 in-vitro ADAARO [NH3+][C@@H](CO)CC1CCCCC1 154758 169244411 /nfs/dbraw/zinc/24/44/11/169244411.db2.gz QWDRYURVUDZKSG-SECBINFHSA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO [NH3+][C@@H](CCO)c1ccc(F)cc1F 44232636 169244437 /nfs/dbraw/zinc/24/44/37/169244437.db2.gz NYJUMGOILSWHAV-VIFPVBQESA-N 1 0 187.189 1.347 50 0 ADAARO [NH3+][C@@H](CO)Cc1cccc(Cl)c1 20268038 169244443 /nfs/dbraw/zinc/24/44/43/169244443.db2.gz DDOXQIODUSXROP-SECBINFHSA-N 1 0 185.654 1.202 50 0 ADAARO N[C@@H](C[NH+]1CCCC1)c1ccccc1 19821166 169244473 /nfs/dbraw/zinc/24/44/73/169244473.db2.gz NIIHRUKAVZEIRO-LBPRGKRZSA-N 1 0 190.290 1.782 50 0 in-vitro ADAARO [NH3+][C@@H](CF)c1ccccc1 20285792 169244538 /nfs/dbraw/zinc/24/45/38/169244538.db2.gz KSWGCLOZHMSHGB-QMMMGPOBSA-N 1 0 139.173 1.656 50 0 in-vitro ADAARO [NH3+][C@@H](CCO)c1cccc(Cl)c1 4089510 169244553 /nfs/dbraw/zinc/24/45/53/169244553.db2.gz YQMOQQKIRFWPQL-VIFPVBQESA-N 1 0 185.654 1.722 50 0 in-vitro ADAARO [NH3+][C@@H](CO)Cc1c[nH]c2ccccc12 403177 169244581 /nfs/dbraw/zinc/24/45/81/169244581.db2.gz UDQCRUSSQAXPJY-SECBINFHSA-N 1 0 190.246 1.030 50 0 in-vitro ADAARO [NH3+][C@@H](CCO)c1ccccc1Cl 12649330 169244605 /nfs/dbraw/zinc/24/46/05/169244605.db2.gz MJTCBVJNSSTRIS-VIFPVBQESA-N 1 0 185.654 1.722 50 0 in-vitro ADAARO [NH3+][C@@H](CCCO)c1ccccc1 20442614 169244708 /nfs/dbraw/zinc/24/47/08/169244708.db2.gz AGOPKBQSZNSGSA-JTQLQIEISA-N 1 0 165.236 1.459 50 0 in-vitro ADAARO [NH3+][C@@H](CO)Cc1ccccc1Cl 20268036 169244728 /nfs/dbraw/zinc/24/47/28/169244728.db2.gz BTYIMXKEQJVRSF-MRVPVSSYSA-N 1 0 185.654 1.202 50 0 ADAARO [NH3+][C@@H](CCO)c1ccnc(Cl)c1 83276798 169244867 /nfs/dbraw/zinc/24/48/67/169244867.db2.gz KSARUZNRHFDZMO-ZETCQYMHSA-N 1 0 186.642 1.117 50 0 ADAARO [NH3+][C@@H](CCO)c1ccc(F)cc1 12649853 169244904 /nfs/dbraw/zinc/24/49/04/169244904.db2.gz CCJPLYPJQZYBLI-VIFPVBQESA-N 1 0 169.199 1.208 50 0 in-vitro ADAARO [NH3+][C@@H](CCO)c1ccccc1 2243698 169244965 /nfs/dbraw/zinc/24/49/65/169244965.db2.gz SEQXIQNPMQTBGN-VIFPVBQESA-N 1 0 151.209 1.069 50 0 in-vitro ADAARO [NH3+][C@@H](CO)Cc1ccc(Cl)cc1 119808 169245010 /nfs/dbraw/zinc/24/50/10/169245010.db2.gz RPHQMRWKOPBZQY-SECBINFHSA-N 1 0 185.654 1.202 50 0 in-vitro ADAARO [NH3+][C@@H](CO)c1cccc(Cl)c1 8698120 169245275 /nfs/dbraw/zinc/24/52/75/169245275.db2.gz HLXHAXFWWGYXQW-QMMMGPOBSA-N 1 0 171.627 1.332 50 0 in-vitro ADAARO [NH3+][C@@H](CO)c1ccc2ccccc2c1 6658339 169245379 /nfs/dbraw/zinc/24/53/79/169245379.db2.gz WUEUHTILFFVPQH-LBPRGKRZSA-N 1 0 187.242 1.832 50 0 in-vitro ADAARO [NH3+][C@@H](CO)c1cccc(Cl)c1F 72197656 169245474 /nfs/dbraw/zinc/24/54/74/169245474.db2.gz TUGSNFQSUXFGGZ-ZETCQYMHSA-N 1 0 189.617 1.471 50 0 in-vitro ADAARO [NH3+][C@@H](CO)c1ccc(Cl)cc1 12404647 169245489 /nfs/dbraw/zinc/24/54/89/169245489.db2.gz AJASJZNNGLIKBY-QMMMGPOBSA-N 1 0 171.627 1.332 50 0 in-vitro ADAARO [NH3+][C@@H](CO)c1cccc2ccccc12 12404591 169245858 /nfs/dbraw/zinc/24/58/58/169245858.db2.gz GIJHQOMBLOZMEG-LBPRGKRZSA-N 1 0 187.242 1.832 50 0 in-vitro ADAARO [NH3+][C@@H](CO)c1ccc(F)c(Cl)c1 22112725 169246175 /nfs/dbraw/zinc/24/61/75/169246175.db2.gz CYZCJADBZVABTN-QMMMGPOBSA-N 1 0 189.617 1.471 50 0 ADAARO [NH3+][C@@H](CO)c1cc(F)c(F)c(F)c1 62720603 169246239 /nfs/dbraw/zinc/24/62/39/169246239.db2.gz HHEXZBORTSEZEF-ZETCQYMHSA-N 1 0 191.152 1.096 50 0 in-vitro ADAARO [NH3+][C@@H](CO)c1ccccc1Cl 34384600 169246536 /nfs/dbraw/zinc/24/65/36/169246536.db2.gz HALZSHRJUMADMG-QMMMGPOBSA-N 1 0 171.627 1.332 50 0 in-vitro ADAARO [NH3+][C@@H](CO)c1ccc(Cl)c(F)c1 49808715 169246890 /nfs/dbraw/zinc/24/68/90/169246890.db2.gz BLNCONOUQXEUCP-QMMMGPOBSA-N 1 0 189.617 1.471 50 0 in-vitro ADAARO [NH3+][C@@H](Cc1ccccc1)c1ncccn1 37467194 169246980 /nfs/dbraw/zinc/24/69/80/169246980.db2.gz SDUPGQBSWSABRG-NSHDSACASA-N 1 0 199.257 1.719 50 0 ADAARO [NH3+][C@@H](Cc1ccccc1)c1nnc[nH]1 42040879 169247027 /nfs/dbraw/zinc/24/70/27/169247027.db2.gz AXMNKOLZLQLXHC-VIFPVBQESA-N 1 0 188.234 1.047 50 0 ADAARO [NH3+][C@@H](Cc1ccncc1)c1ccncc1 75601356 169247063 /nfs/dbraw/zinc/24/70/63/169247063.db2.gz HDQTZARIDFWFSD-LBPRGKRZSA-N 1 0 199.257 1.719 50 0 ADAARO [NH3+][C@@H](Cc1ncc[nH]1)c1ccccc1 9156389 169247131 /nfs/dbraw/zinc/24/71/31/169247131.db2.gz UILZJHCFDFUHKX-JTQLQIEISA-N 1 0 187.246 1.652 50 0 in-vitro ADAARO [NH3+][C@@H](Cc1ccccn1)c1cccnc1 36890029 169247184 /nfs/dbraw/zinc/24/71/84/169247184.db2.gz UBMCONSRKGUOFH-LBPRGKRZSA-N 1 0 199.257 1.719 50 0 in-vitro ADAARO [NH3+][C@@H](Cc1ccccc1)c1ncon1 36761977 169247371 /nfs/dbraw/zinc/24/73/71/169247371.db2.gz KXCKMWOCYUHBRQ-VIFPVBQESA-N 1 0 189.218 1.312 50 0 ADAARO [NH3+][C@@H](Cn1ccnc1)c1ccccc1 38808859 169247403 /nfs/dbraw/zinc/24/74/03/169247403.db2.gz NYQHWEIQMDYXSR-NSHDSACASA-N 1 0 187.246 1.583 50 0 ADAARO [NH3+][C@@H](Cc1nnc[nH]1)c1ccccc1 42040967 169247465 /nfs/dbraw/zinc/24/74/65/169247465.db2.gz PDRYYCPBYSDOHU-VIFPVBQESA-N 1 0 188.234 1.047 50 0 in-vitro ADAARO [NH3+][C@@H](Cc1ccccc1)C1CC1 32006076 169248030 /nfs/dbraw/zinc/24/80/30/169248030.db2.gz KWHUZILRMHTFDD-NSHDSACASA-N 1 0 161.248 1.966 50 0 in-vitro ADAARO [NH3+][C@@H](Cc1ccncc1)c1cccnc1 53135072 169248074 /nfs/dbraw/zinc/24/80/74/169248074.db2.gz LWDZDHDLCOOBIZ-LBPRGKRZSA-N 1 0 199.257 1.719 50 0 ADAARO [NH3+][C@@H](Cn1cccn1)c1ccccc1 106429 169248083 /nfs/dbraw/zinc/24/80/83/169248083.db2.gz WFAQXOGGRSONDK-NSHDSACASA-N 1 0 187.246 1.583 50 0 ADAARO [NH3+][C@@H](c1cncc(F)c1)C1CC1 49576243 169248798 /nfs/dbraw/zinc/24/87/98/169248798.db2.gz IXFIEHVZGMRZGD-SECBINFHSA-N 1 0 166.199 1.631 50 0 ADAARO [NH3+][C@@H](c1cccc2c1OCO2)C1CC1 84351195 169248938 /nfs/dbraw/zinc/24/89/38/169248938.db2.gz RYBVYDDKDORCNH-SNVBAGLBSA-N 1 0 191.230 1.825 50 0 ADAARO [NH3+][C@@H]1/C=C/CCCCC1 102144482 169248975 /nfs/dbraw/zinc/24/89/75/169248975.db2.gz XMOAPRFICOTZFP-YZCDNWJKSA-N 1 0 125.215 1.834 50 0 ADAARO [NH3+][C@@H](c1ncccn1)C1CCCC1 37467182 169249132 /nfs/dbraw/zinc/24/91/32/169249132.db2.gz PUGOQJSBCMWTQC-SECBINFHSA-N 1 0 177.251 1.667 50 0 ADAARO [NH3+][C@@H](c1ccccc1)C1(O)CC1 91351792 169249205 /nfs/dbraw/zinc/24/92/05/169249205.db2.gz TVUCOABIFUHKRD-VIFPVBQESA-N 1 0 163.220 1.211 50 0 ADAARO [NH3+][C@@H](c1ncccc1F)C1CC1 83574308 169249213 /nfs/dbraw/zinc/24/92/13/169249213.db2.gz QYLKMQBCYVTHLT-MRVPVSSYSA-N 1 0 166.199 1.631 50 0 ADAARO [NH3+][C@@H](c1ccccc1)[C@@H]1CCCO1 19415814 169249243 /nfs/dbraw/zinc/24/92/43/169249243.db2.gz UUDKCSVNTDZTBA-QWRGUYRKSA-N 1 0 177.247 1.865 50 0 in-vitro ADAARO [NH3+][C@@H](c1ccc(F)cc1)c1ncc[nH]1 75871832 169249292 /nfs/dbraw/zinc/24/92/92/169249292.db2.gz VLEHRAVOCCWTQT-VIFPVBQESA-N 1 0 191.209 1.597 50 0 ADAARO [NH3+][C@@H](c1ccccn1)C1CC1 17787002 169249478 /nfs/dbraw/zinc/24/94/78/169249478.db2.gz PFYIHZIVTALTCS-SECBINFHSA-N 1 0 148.209 1.491 50 0 in-vitro ADAARO [NH3+][C@@H](c1ccccc1)C1(O)CCC1 90411137 169249553 /nfs/dbraw/zinc/24/95/53/169249553.db2.gz VMDNXLHIKOSMOJ-JTQLQIEISA-N 1 0 177.247 1.601 50 0 ADAARO [NH3+][C@@H](c1ccccc1)[C@H]1CCCO1 19415818 169249587 /nfs/dbraw/zinc/24/95/87/169249587.db2.gz UUDKCSVNTDZTBA-MNOVXSKESA-N 1 0 177.247 1.865 50 0 in-vitro ADAARO [NH3+][C@@H](c1cccnc1)C1CC1 17786905 169249741 /nfs/dbraw/zinc/24/97/41/169249741.db2.gz FSWNPAICGSWQJU-SECBINFHSA-N 1 0 148.209 1.491 50 0 in-vitro ADAARO [NH3+][C@@H](c1ccnc(F)c1)C1CC1 104453981 169249763 /nfs/dbraw/zinc/24/97/63/169249763.db2.gz YUHJXWUKHDKEGJ-SECBINFHSA-N 1 0 166.199 1.631 50 0 ADAARO [NH3+][C@@H](c1cccs1)C1(CO)CCC1 259588702 169249777 /nfs/dbraw/zinc/24/97/77/169249777.db2.gz WNIGKMOZOAOZOL-VIFPVBQESA-N 1 0 197.303 1.911 50 0 ADAARO [NH3+][C@@H](c1cccnc1F)C1CC1 95663882 169249898 /nfs/dbraw/zinc/24/98/98/169249898.db2.gz LZMSTFZUKRNAMZ-MRVPVSSYSA-N 1 0 166.199 1.631 50 0 ADAARO [NH3+][C@@H](c1nccs1)C1CC1 41059448 169249917 /nfs/dbraw/zinc/24/99/17/169249917.db2.gz VPWQNPNTMBITDU-ZCFIWIBFSA-N 1 0 154.238 1.553 50 0 ADAARO [NH3+][C@@H](c1ccncc1)C1CC1 17786882 169249986 /nfs/dbraw/zinc/24/99/86/169249986.db2.gz RCNXRRXXFSTRFI-SECBINFHSA-N 1 0 148.209 1.491 50 0 ADAARO [NH3+][C@@H](c1ccncc1)C1CCC1 84329890 169250051 /nfs/dbraw/zinc/25/00/51/169250051.db2.gz KFWCZAZAYCZEAQ-SNVBAGLBSA-N 1 0 162.236 1.882 50 0 ADAARO [NH3+][C@@H](c1ccc(F)cn1)C1CC1 78677777 169250102 /nfs/dbraw/zinc/25/01/02/169250102.db2.gz HECWTXZEVURLRJ-SECBINFHSA-N 1 0 166.199 1.631 50 0 ADAARO [NH3+][C@@H]1CC12CCCCC2 52126083 169250271 /nfs/dbraw/zinc/25/02/71/169250271.db2.gz IMZUITKQSZISDL-SSDOTTSWSA-N 1 0 125.215 1.668 50 0 ADAARO [NH3+][C@@H]1CC(=O)c2cc3c(cc21)OCO3 1407059 169250298 /nfs/dbraw/zinc/25/02/98/169250298.db2.gz FRNMZNQQBWWSHK-SSDOTTSWSA-N 1 0 191.186 1.002 50 0 ADAARO [NH3+][C@@H]1CCCC12CCOCC2 107399057 169250319 /nfs/dbraw/zinc/25/03/19/169250319.db2.gz BJCBSAUZQPFGII-MRVPVSSYSA-N 1 0 155.241 1.294 50 0 in-vitro ADAARO [NH3+][C@@H]1CC=C(C(F)(F)F)CC1 108285452 169250328 /nfs/dbraw/zinc/25/03/28/169250328.db2.gz YRTQUAARSDUSBI-ZCFIWIBFSA-N 1 0 165.158 1.986 50 0 in-vitro ADAARO [NH3+][C@@H]1CC2CCC1CC2 62715186 169250340 /nfs/dbraw/zinc/25/03/40/169250340.db2.gz MCLJDHWIDXKUBS-KAVNDROISA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+][C@@H]1CC(=O)c2ccccc21 57935295 169250497 /nfs/dbraw/zinc/25/04/97/169250497.db2.gz HNXHMCTUYDVMNC-MRVPVSSYSA-N 1 0 147.177 1.273 50 0 in-vitro ADAARO [NH3+][C@@H]1CC(=O)N(CC2CCCCC2)C1 35679550 169250510 /nfs/dbraw/zinc/25/05/10/169250510.db2.gz MIZGPIULAZEXSR-SNVBAGLBSA-N 1 0 196.294 1.126 50 0 ADAARO [NH3+][C@@H]1CCC(=O)c2ccccc21 34140080 169250607 /nfs/dbraw/zinc/25/06/07/169250607.db2.gz ZIKUGMFMPBBBDM-SECBINFHSA-N 1 0 161.204 1.663 50 0 ADAARO [NH3+][C@@H]1CCCC(F)(F)CC1 95829128 169250694 /nfs/dbraw/zinc/25/06/94/169250694.db2.gz HTNJGRZJRRYDAY-ZCFIWIBFSA-N 1 0 149.184 1.913 50 0 ADAARO [NH3+][C@@H]1CCCC(F)(F)C1 51971850 169250823 /nfs/dbraw/zinc/25/08/23/169250823.db2.gz VAQNIUDWPOLHBT-RXMQYKEDSA-N 1 0 135.157 1.523 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCC2(CC2)C1 91305895 169250827 /nfs/dbraw/zinc/25/08/27/169250827.db2.gz YCSRHTRDWSXDFA-SSDOTTSWSA-N 1 0 125.215 1.668 50 0 ADAARO [NH3+][C@@H]1CC(=O)Nc2ccccc21 19089956 169250880 /nfs/dbraw/zinc/25/08/80/169250880.db2.gz DLABPBKCFXRHPA-SSDOTTSWSA-N 1 0 162.192 1.029 50 0 ADAARO [NH3+][C@@H]1CC=CCC1 39377341 169250904 /nfs/dbraw/zinc/25/09/04/169250904.db2.gz UUSODXRMARGLBX-ZCFIWIBFSA-N 1 0 97.161 1.054 50 0 in-vitro ADAARO [NH3+][C@@H]1CC12CCC(F)(F)CC2 95829138 169250920 /nfs/dbraw/zinc/25/09/20/169250920.db2.gz HZYXMWOXTRIDCI-ZCFIWIBFSA-N 1 0 161.195 1.913 50 0 ADAARO [NH3+][C@@H]1CCCCC1(F)F 51971841 169250966 /nfs/dbraw/zinc/25/09/66/169250966.db2.gz KATJLSLKDKAWTG-RXMQYKEDSA-N 1 0 135.157 1.523 50 0 in-vitro ADAARO [NH3+][C@@H]1CC(=O)N(C2CCCCCC2)C1 35679832 169251003 /nfs/dbraw/zinc/25/10/03/169251003.db2.gz PDQXIDMSDPYBSB-SECBINFHSA-N 1 0 196.294 1.269 50 0 ADAARO [NH3+][C@@H]1CCC12CCCC2 95836089 169251036 /nfs/dbraw/zinc/25/10/36/169251036.db2.gz SKFHSYNTRHQYPQ-SSDOTTSWSA-N 1 0 125.215 1.668 50 0 in-vitro ADAARO [NH3+][C@@H]1CCC(F)(F)C1 66351532 169251072 /nfs/dbraw/zinc/25/10/72/169251072.db2.gz QLOHXGYAULHFOG-SCSAIBSYSA-N 1 0 121.130 1.133 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCCCC1(F)F 88611427 169251081 /nfs/dbraw/zinc/25/10/81/169251081.db2.gz SWSFVFBQIOSZJH-ZCFIWIBFSA-N 1 0 149.184 1.913 50 0 ADAARO [NH3+][C@@H]1C=CCCCCC1 34080628 169251088 /nfs/dbraw/zinc/25/10/88/169251088.db2.gz XMOAPRFICOTZFP-MRVPVSSYSA-N 1 0 125.215 1.834 50 0 ADAARO [NH3+][C@@H]1CCCC12CC2 82411820 169251121 /nfs/dbraw/zinc/25/11/21/169251121.db2.gz GBVPJNVSPYWXOB-ZCFIWIBFSA-N 1 0 111.188 1.278 50 0 in-vitro ADAARO [NH3+][C@@H]1C=CCCC1 6662147 169251177 /nfs/dbraw/zinc/25/11/77/169251177.db2.gz ACYMGUSQXQEHGA-ZCFIWIBFSA-N 1 0 97.161 1.054 50 0 in-vitro ADAARO [NH3+][C@@H]1C=Cc2ccccc2[C@H]1O 71772105 169251197 /nfs/dbraw/zinc/25/11/97/169251197.db2.gz MFGKAKVGEHDXSZ-NXEZZACHSA-N 1 0 161.204 1.074 50 0 ADAARO [NH3+][C@@H]1CC(=O)c2sccc21 3884502 169251207 /nfs/dbraw/zinc/25/12/07/169251207.db2.gz YQMHSDHUZPPMDS-RXMQYKEDSA-N 1 0 153.206 1.334 50 0 ADAARO [NH3+][C@@H]1CCC12CCC2 20418265 169251223 /nfs/dbraw/zinc/25/12/23/169251223.db2.gz WVKSZPJMDHSJDV-ZCFIWIBFSA-N 1 0 111.188 1.278 50 0 ADAARO [NH3+][C@@H]1CCCC1(F)F 66351527 169251240 /nfs/dbraw/zinc/25/12/40/169251240.db2.gz JBXAZJIGJLDLEM-SCSAIBSYSA-N 1 0 121.130 1.133 50 0 in-vitro ADAARO [NH3+][C@@H]1CC12CCCC2 52126033 169251350 /nfs/dbraw/zinc/25/13/50/169251350.db2.gz LZHAFTGZJJWVMP-ZCFIWIBFSA-N 1 0 111.188 1.278 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCC[C@@H]1Nc1cnccn1 38051048 169251449 /nfs/dbraw/zinc/25/14/49/169251449.db2.gz DXXMSZDNEOCVEE-BDAKNGLRSA-N 1 0 192.266 1.158 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCN(c2nccs2)C1 40434258 169251511 /nfs/dbraw/zinc/25/15/11/169251511.db2.gz BGILKUDVVFXDRH-SSDOTTSWSA-N 1 0 183.280 1.071 50 0 ADAARO [NH3+][C@@H]1CCCN(Cc2ccccc2)C1 95082141 169251556 /nfs/dbraw/zinc/25/15/56/169251556.db2.gz HARWNWOLWMTQCC-GFCCVEGCSA-N 1 0 190.290 1.610 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCOc2ccccc21 34612055 169251580 /nfs/dbraw/zinc/25/15/80/169251580.db2.gz QJQARXIEBJBMRM-SECBINFHSA-N 1 0 163.220 1.859 50 0 in-vitro ADAARO N[C@@H]1CCCC[C@H]1[NH+]1CCCCC1 19396519 169251588 /nfs/dbraw/zinc/25/15/88/169251588.db2.gz QHFKXCGYRHKLNG-GHMZBOCLSA-N 1 0 182.311 1.742 50 0 ADAARO N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 19735495 169251608 /nfs/dbraw/zinc/25/16/08/169251608.db2.gz KHLOGZFTLJVFFC-GFCCVEGCSA-N 1 0 196.338 1.990 50 0 ADAARO [NH3+][C@@H]1CCCC[C@@H]1F 26480862 169251627 /nfs/dbraw/zinc/25/16/27/169251627.db2.gz ZFZUTWAYBJFSIL-NTSWFWBYSA-N 1 0 117.167 1.226 50 0 ADAARO [NH3+][C@@H]1CCCN(Cc2ccccn2)C1 40434834 169251664 /nfs/dbraw/zinc/25/16/64/169251664.db2.gz PNWFVUJFAQEPSE-SNVBAGLBSA-N 1 0 191.278 1.005 50 0 ADAARO [NH3+][C@@H]1CCCC[C@@H]1n1cccn1 11848825 169251745 /nfs/dbraw/zinc/25/17/45/169251745.db2.gz OEDWWEUVTQJUBT-BDAKNGLRSA-N 1 0 165.240 1.326 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCC[C@H]1n1cccn1 11848827 169251751 /nfs/dbraw/zinc/25/17/51/169251751.db2.gz OEDWWEUVTQJUBT-RKDXNWHRSA-N 1 0 165.240 1.326 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCC[C@H]1Nc1cnccn1 38051047 169251910 /nfs/dbraw/zinc/25/19/10/169251910.db2.gz DXXMSZDNEOCVEE-RKDXNWHRSA-N 1 0 192.266 1.158 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCN(C2CCCCC2)C1=O 70061722 169251919 /nfs/dbraw/zinc/25/19/19/169251919.db2.gz USFPMJJSKRRNPR-SNVBAGLBSA-N 1 0 196.294 1.269 50 0 in-vitro ADAARO N[C@@H]1CCC[N@@H+](C2CCCC2)C1 41027566 169251944 /nfs/dbraw/zinc/25/19/44/169251944.db2.gz BPEXQYURTRYAMW-SECBINFHSA-N 1 0 168.284 1.352 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCN(C(=O)C2CCCC2)C1 41028238 169252032 /nfs/dbraw/zinc/25/20/32/169252032.db2.gz HDTMVBRIEZCBDN-SNVBAGLBSA-N 1 0 196.294 1.126 50 0 ADAARO [NH3+][C@@H]1CCCN(Cc2cccs2)C1 20479831 169252054 /nfs/dbraw/zinc/25/20/54/169252054.db2.gz UCTGZMSIPDXPBS-SECBINFHSA-N 1 0 196.319 1.671 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCN(Cc2cccnc2)C1 20479355 169252074 /nfs/dbraw/zinc/25/20/74/169252074.db2.gz OJBZNCNRSNSXCX-LLVKDONJSA-N 1 0 191.278 1.005 50 0 in-vitro ADAARO N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 41027722 169252090 /nfs/dbraw/zinc/25/20/90/169252090.db2.gz JWKJHQNKTLGEBL-SNVBAGLBSA-N 1 0 182.311 1.742 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCOc2ccc(F)cc21 19408222 169252172 /nfs/dbraw/zinc/25/21/72/169252172.db2.gz HUSRDWFFGZCVCI-SECBINFHSA-N 1 0 181.210 1.998 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCOc2cc(F)ccc21 62566854 169252214 /nfs/dbraw/zinc/25/22/14/169252214.db2.gz BJCYFFSBGOZDJK-SECBINFHSA-N 1 0 181.210 1.998 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCC[C@H]1F 26480877 169252338 /nfs/dbraw/zinc/25/23/38/169252338.db2.gz ZFZUTWAYBJFSIL-PHDIDXHHSA-N 1 0 117.167 1.226 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCC[C@]1(O)C(F)(F)F 68576953 169252384 /nfs/dbraw/zinc/25/23/84/169252384.db2.gz KWSACQWMYUUSMV-PHDIDXHHSA-N 1 0 183.173 1.181 50 0 ADAARO [NH3+][C@@H]1CCCOc2c(F)cccc21 34974441 169252515 /nfs/dbraw/zinc/25/25/15/169252515.db2.gz RABQNHWEZGFKCN-SECBINFHSA-N 1 0 181.210 1.998 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCC[C@@]1(O)C(F)(F)F 68576954 169252584 /nfs/dbraw/zinc/25/25/84/169252584.db2.gz KWSACQWMYUUSMV-RITPCOANSA-N 1 0 183.173 1.181 50 0 ADAARO [NH3+][C@@H]1CCCc2oncc21 40449126 169252813 /nfs/dbraw/zinc/25/28/13/169252813.db2.gz YBXHLDUQMNMWOM-ZCFIWIBFSA-N 1 0 138.170 1.011 50 0 ADAARO [NH3+][C@@H]1CCC[C@](O)(C(F)(F)F)C1 57218925 169252828 /nfs/dbraw/zinc/25/28/28/169252828.db2.gz IJUVZQHBPFIBHU-PHDIDXHHSA-N 1 0 183.173 1.181 50 0 ADAARO [NH3+][C@@H]1CCC[C@@H](F)C1 88611436 169252878 /nfs/dbraw/zinc/25/28/78/169252878.db2.gz ZPZKJQKFLQCCMD-PHDIDXHHSA-N 1 0 117.167 1.226 50 0 ADAARO [NH3+][C@@H]1CCC[C@H](C2CC2)C1 18879134 169252882 /nfs/dbraw/zinc/25/28/82/169252882.db2.gz HMQZOXXSWCKCAS-DTWKUNHWSA-N 1 0 139.242 1.914 50 0 in-vitro ADAARO [NH3+][C@@H]1CCC[C@H](C(F)F)C1 95829020 169252918 /nfs/dbraw/zinc/25/29/18/169252918.db2.gz VYZHFSHPTHUYEX-NTSWFWBYSA-N 1 0 149.184 1.769 50 0 ADAARO [NH3+][C@@H]1CCC[C@@H](C2CC2)C1 18879128 169252928 /nfs/dbraw/zinc/25/29/28/169252928.db2.gz HMQZOXXSWCKCAS-RKDXNWHRSA-N 1 0 139.242 1.914 50 0 in-vitro ADAARO [NH3+][C@@H]1CCC[C@@H]1Oc1ccccc1 23067465 169252959 /nfs/dbraw/zinc/25/29/59/169252959.db2.gz WEBWXWDQSPNZHG-MNOVXSKESA-N 1 0 177.247 1.945 50 0 in-vitro ADAARO [NH3+][C@@H]1CCC[C@@H](OC(F)F)C1 158851389 169252969 /nfs/dbraw/zinc/25/29/69/169252969.db2.gz USDBMIDEVGRNIN-PHDIDXHHSA-N 1 0 165.183 1.496 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCc2occc21 13999054 169253008 /nfs/dbraw/zinc/25/30/08/169253008.db2.gz UDDVUZXMEMNBBT-SSDOTTSWSA-N 1 0 137.182 1.616 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCc2cc(O)ccc21 34206221 169253039 /nfs/dbraw/zinc/25/30/39/169253039.db2.gz OGCNDVHUWVSJRM-SNVBAGLBSA-N 1 0 163.220 1.728 50 0 ADAARO [NH3+][C@@H]1CCC[C@@H]2C[C@H]12 33875509 169253067 /nfs/dbraw/zinc/25/30/67/169253067.db2.gz WPUVOLWCVQYEPT-DSYKOEDSSA-N 1 0 111.188 1.134 50 0 in-vitro ADAARO [NH3+][C@@H]1CCC[C@@H]1Cc1ccccn1 82398616 169253080 /nfs/dbraw/zinc/25/30/80/169253080.db2.gz IOCKHCWEKLAZAB-MWLCHTKSSA-N 1 0 176.263 1.752 50 0 ADAARO [NH3+][C@@H]1CCC[C@H]1Cc1ccco1 2347464 169253087 /nfs/dbraw/zinc/25/30/87/169253087.db2.gz BQCDOVRAZHBFED-WCBMZHEXSA-N 1 0 165.236 1.950 50 0 ADAARO [NH3+][C@@H]1CCC[C@H](OC(F)F)C1 158851650 169253096 /nfs/dbraw/zinc/25/30/96/169253096.db2.gz USDBMIDEVGRNIN-RITPCOANSA-N 1 0 165.183 1.496 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCc2ccncc21 20971833 169253143 /nfs/dbraw/zinc/25/31/43/169253143.db2.gz BMARABOQKIKIRT-SECBINFHSA-N 1 0 148.209 1.418 50 0 in-vitro ADAARO [NH3+][C@@H]1CCC[C@@H](OCC(F)(F)F)C1 20282358 169253153 /nfs/dbraw/zinc/25/31/53/169253153.db2.gz LQYFONUESJVHHK-RNFRBKRXSA-N 1 0 197.200 1.835 50 0 ADAARO [NH3+][C@@H]1CCC[C@H]2C[C@H]21 33875511 169253189 /nfs/dbraw/zinc/25/31/89/169253189.db2.gz WPUVOLWCVQYEPT-RRKCRQDMSA-N 1 0 111.188 1.134 50 0 in-vitro ADAARO [NH3+][C@@H]1CCC[C@H]1Oc1ccccc1 23067469 169253198 /nfs/dbraw/zinc/25/31/98/169253198.db2.gz WEBWXWDQSPNZHG-GHMZBOCLSA-N 1 0 177.247 1.945 50 0 in-vitro ADAARO [NH3+][C@@H]1CCC[C@@H]1Cc1ccco1 2347463 169253225 /nfs/dbraw/zinc/25/32/25/169253225.db2.gz BQCDOVRAZHBFED-PSASIEDQSA-N 1 0 165.236 1.950 50 0 ADAARO [NH3+][C@@H]1CCC[C@H]1Nc1ccccc1 148119370 169253256 /nfs/dbraw/zinc/25/32/56/169253256.db2.gz PXQWKOFRBURNCJ-GHMZBOCLSA-N 1 0 176.263 1.978 50 0 ADAARO [NH3+][C@@H]1CCC[C@H](OCC(F)(F)F)C1 20282366 169253285 /nfs/dbraw/zinc/25/32/85/169253285.db2.gz LQYFONUESJVHHK-RQJHMYQMSA-N 1 0 197.200 1.835 50 0 ADAARO [NH3+][C@@H]1CCC[C@]12CCCO2 95628915 169253294 /nfs/dbraw/zinc/25/32/94/169253294.db2.gz NLUJOWHCPACBPT-SFYZADRCSA-N 1 0 141.214 1.047 50 0 ADAARO [NH3+][C@@H]1CCC[C@@H](C(F)F)C1 95829021 169253303 /nfs/dbraw/zinc/25/33/03/169253303.db2.gz VYZHFSHPTHUYEX-PHDIDXHHSA-N 1 0 149.184 1.769 50 0 ADAARO [NH3+][C@@H]1CCCc2cnccc21 20971802 169253308 /nfs/dbraw/zinc/25/33/08/169253308.db2.gz YURMVGXJVVCSMU-SECBINFHSA-N 1 0 148.209 1.418 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCc2c(O)cccc21 34206219 169253471 /nfs/dbraw/zinc/25/34/71/169253471.db2.gz JGBIMURCUPHILK-SECBINFHSA-N 1 0 163.220 1.728 50 0 in-vitro ADAARO [NH3+][C@@H]1CCC[C@H]1C(F)(F)F 68577116 169253482 /nfs/dbraw/zinc/25/34/82/169253482.db2.gz CPYZHYSCBMUTQT-RFZPGFLSSA-N 1 0 153.147 1.676 50 0 in-vitro ADAARO [NH3+][C@@H]1CCC[C@H](F)C1 88611441 169253500 /nfs/dbraw/zinc/25/35/00/169253500.db2.gz ZPZKJQKFLQCCMD-NTSWFWBYSA-N 1 0 117.167 1.226 50 0 ADAARO [NH3+][C@@H]1CCC[C@@H]1C(F)(F)F 68577114 169253516 /nfs/dbraw/zinc/25/35/16/169253516.db2.gz CPYZHYSCBMUTQT-CRCLSJGQSA-N 1 0 153.147 1.676 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCc2ccccc2C1 5934762 169253544 /nfs/dbraw/zinc/25/35/44/169253544.db2.gz MDVRGZASGHPBAG-LLVKDONJSA-N 1 0 161.248 1.893 50 0 ADAARO [NH3+][C@@H]1CCC[C@H]1Cc1ccccn1 82398615 169253584 /nfs/dbraw/zinc/25/35/84/169253584.db2.gz IOCKHCWEKLAZAB-GXSJLCMTSA-N 1 0 176.263 1.752 50 0 ADAARO [NH3+][C@@H]1CCCc2ncccc21 4202814 169253594 /nfs/dbraw/zinc/25/35/94/169253594.db2.gz ZMAFTVCNAYZLGF-MRVPVSSYSA-N 1 0 148.209 1.418 50 0 in-vitro ADAARO [NH3+][C@@H]1CCCc2cccnc21 20440423 169253610 /nfs/dbraw/zinc/25/36/10/169253610.db2.gz JQGOUNFVDYUKMM-MRVPVSSYSA-N 1 0 148.209 1.418 50 0 in-vitro ADAARO [NH3+][C@@H]1CCC[C@@]12CCCO2 95628913 169253625 /nfs/dbraw/zinc/25/36/25/169253625.db2.gz NLUJOWHCPACBPT-HTQZYQBOSA-N 1 0 141.214 1.047 50 0 ADAARO [NH3+][C@@H]1CCC[C@@](O)(C(F)(F)F)C1 57218923 169253648 /nfs/dbraw/zinc/25/36/48/169253648.db2.gz IJUVZQHBPFIBHU-RITPCOANSA-N 1 0 183.173 1.181 50 0 ADAARO N[C@@H]1CC[N@@H+](C2CCCCC2)C1 20160409 169253779 /nfs/dbraw/zinc/25/37/79/169253779.db2.gz DPEPZAJVZHRORQ-SECBINFHSA-N 1 0 168.284 1.352 50 0 in-vitro ADAARO [NH3+][C@@H]1CCN(c2ccccc2Cl)C1 33427000 169253797 /nfs/dbraw/zinc/25/37/97/169253797.db2.gz KFHKUCKYAJKAMY-MRVPVSSYSA-N 1 0 196.681 1.877 50 0 in-vitro ADAARO [NH3+][C@@H]1CCN(Cc2ccc(F)cc2)C1 22942132 169253820 /nfs/dbraw/zinc/25/38/20/169253820.db2.gz XQBNUZCWBALDMP-LLVKDONJSA-N 1 0 194.253 1.359 50 0 ADAARO [NH3+][C@@H]1CCOC2(CCSCC2)C1 82163981 169253843 /nfs/dbraw/zinc/25/38/43/169253843.db2.gz XXXFWZIXMSXIEE-MRVPVSSYSA-N 1 0 187.308 1.390 50 0 in-vitro ADAARO N[C@@H]1CC[N@H+](CC2CCCCC2)C1 37259773 169253882 /nfs/dbraw/zinc/25/38/82/169253882.db2.gz SBSSXCKDVHHANA-LLVKDONJSA-N 1 0 182.311 1.600 50 0 ADAARO N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 31996486 169253887 /nfs/dbraw/zinc/25/38/87/169253887.db2.gz ZLMUBWSHTPRUSD-SNVBAGLBSA-N 1 0 182.311 1.742 50 0 in-vitro ADAARO N[C@@H]1CC[N@H+](CC2CCCC2)C1 37258674 169253893 /nfs/dbraw/zinc/25/38/93/169253893.db2.gz RNXHKXQZFWIFAD-SNVBAGLBSA-N 1 0 168.284 1.210 50 0 in-vitro ADAARO [NH3+][C@@H]1CCOc2c1ccc(F)c2F 62611244 169253927 /nfs/dbraw/zinc/25/39/27/169253927.db2.gz RWFFMOBPPRECAW-SSDOTTSWSA-N 1 0 185.173 1.747 50 0 ADAARO [NH3+][C@@H]1CCOc2cc(F)cc(F)c21 54931968 169254023 /nfs/dbraw/zinc/25/40/23/169254023.db2.gz ZJGYMNXLPZADME-SSDOTTSWSA-N 1 0 185.173 1.747 50 0 ADAARO [NH3+][C@@H]1CCOc2ccccc2C1 34474995 169254038 /nfs/dbraw/zinc/25/40/38/169254038.db2.gz AMRNYXTUAFFTDT-SECBINFHSA-N 1 0 163.220 1.339 50 0 ADAARO [NH3+][C@@H]1CCO[C@H](c2cccs2)C1 240465884 169254161 /nfs/dbraw/zinc/25/41/61/169254161.db2.gz GBCJWEOHNRHUAJ-SFYZADRCSA-N 1 0 183.276 1.927 50 0 ADAARO [NH3+][C@@H]1CCOC2(CCCC2)C1 69853520 169254187 /nfs/dbraw/zinc/25/41/87/169254187.db2.gz PPOWVINCRQGBEG-MRVPVSSYSA-N 1 0 155.241 1.437 50 0 in-vitro ADAARO [NH3+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 86250002 169254199 /nfs/dbraw/zinc/25/41/99/169254199.db2.gz HZGZIFLIEJLQJI-ZJUUUORDSA-N 1 0 199.200 1.754 50 0 ADAARO [NH3+][C@@H]1CCN(c2c(F)cccc2F)C1 33427004 169254241 /nfs/dbraw/zinc/25/42/41/169254241.db2.gz RTKNZDWPFZWBEU-SSDOTTSWSA-N 1 0 198.216 1.502 50 0 in-vitro ADAARO [NH3+][C@@H]1CCOc2c(F)cccc21 16082969 169254249 /nfs/dbraw/zinc/25/42/49/169254249.db2.gz HXACNHXAKSMYNU-MRVPVSSYSA-N 1 0 167.183 1.608 50 0 in-vitro ADAARO [NH3+][C@@H]1CCNc2ccccc21 20972588 169254283 /nfs/dbraw/zinc/25/42/83/169254283.db2.gz UZAOPTDGCXICDB-MRVPVSSYSA-N 1 0 148.209 1.502 50 0 in-vitro ADAARO [NH3+][C@@H]1CCOC2(CCCCC2)C1 69853618 169254312 /nfs/dbraw/zinc/25/43/12/169254312.db2.gz RRJGTXDGEXVCRB-SECBINFHSA-N 1 0 169.268 1.827 50 0 ADAARO [NH3+][C@@H]1CCOc2cc(F)ccc21 64034211 169254359 /nfs/dbraw/zinc/25/43/59/169254359.db2.gz UMQCCSDLCJERPE-MRVPVSSYSA-N 1 0 167.183 1.608 50 0 in-vitro ADAARO [NH3+][C@@H]1CCO[C@H](c2ccncc2)C1 69851166 169254362 /nfs/dbraw/zinc/25/43/62/169254362.db2.gz LWMFZAJVJWFJBV-ZJUUUORDSA-N 1 0 178.235 1.260 50 0 ADAARO [NH3+][C@@H]1CCN(c2ccc(F)cc2)C1 20441262 169254390 /nfs/dbraw/zinc/25/43/90/169254390.db2.gz XLEOGFLIBVBBLP-SECBINFHSA-N 1 0 180.226 1.363 50 0 in-vitro ADAARO [NH3+][C@@H]1CCO[C@H]1c1ccccc1 72266599 169254412 /nfs/dbraw/zinc/25/44/12/169254412.db2.gz IDXIHGNMBVEUKC-ZJUUUORDSA-N 1 0 163.220 1.475 50 0 ADAARO [NH3+][C@@H]1CCN(Cc2cccc(F)c2)C1 22942136 169254467 /nfs/dbraw/zinc/25/44/67/169254467.db2.gz XPTSYMGOCOWONR-LLVKDONJSA-N 1 0 194.253 1.359 50 0 ADAARO [NH3+][C@@H]1CCO[C@H](c2ccccc2)C1 59622751 169254475 /nfs/dbraw/zinc/25/44/75/169254475.db2.gz GAMBPQOUYCSFLZ-MNOVXSKESA-N 1 0 177.247 1.865 50 0 in-vitro ADAARO [NH3+][C@@H]1CCN(Cc2ccccc2)C1 19230172 169254497 /nfs/dbraw/zinc/25/44/97/169254497.db2.gz HBVNLKQGRZPGRP-LLVKDONJSA-N 1 0 176.263 1.220 50 0 in-vitro ADAARO [NH3+][C@@H]1CCOc2ccc(F)cc21 16082987 169254592 /nfs/dbraw/zinc/25/45/92/169254592.db2.gz WVQYSVLMDHXHOV-MRVPVSSYSA-N 1 0 167.183 1.608 50 0 in-vitro ADAARO [NH3+][C@@H]1CCN(c2ccccc2)C1 33426865 169254609 /nfs/dbraw/zinc/25/46/09/169254609.db2.gz SFMJIPNTKASYFH-SECBINFHSA-N 1 0 162.236 1.224 50 0 in-vitro ADAARO [NH3+][C@@H]1CCN(c2ccc(F)cc2F)C1 33427008 169254658 /nfs/dbraw/zinc/25/46/58/169254658.db2.gz SHDSNDAKQXUVAL-MRVPVSSYSA-N 1 0 198.216 1.502 50 0 in-vitro ADAARO [NH3+][C@@H]1CCO[C@@H](c2cccs2)C1 83275727 169254691 /nfs/dbraw/zinc/25/46/91/169254691.db2.gz GBCJWEOHNRHUAJ-HTQZYQBOSA-N 1 0 183.276 1.927 50 0 ADAARO [NH3+][C@@H]1CCN(c2ccc(Cl)cc2)C1 33426886 169254722 /nfs/dbraw/zinc/25/47/22/169254722.db2.gz LNNGSZUOAZKLNA-SECBINFHSA-N 1 0 196.681 1.877 50 0 in-vitro ADAARO [NH3+][C@@H]1CCOc2c(F)ccc(F)c21 70819618 169254803 /nfs/dbraw/zinc/25/48/03/169254803.db2.gz ONHGXVMUVYBWQO-SSDOTTSWSA-N 1 0 185.173 1.747 50 0 in-vitro ADAARO [NH3+][C@@H]1CCO[C@@H](c2ccccc2)C1 59622752 169254832 /nfs/dbraw/zinc/25/48/32/169254832.db2.gz GAMBPQOUYCSFLZ-GHMZBOCLSA-N 1 0 177.247 1.865 50 0 in-vitro ADAARO [NH3+][C@@H]1CCN(C(=O)C2CCCCC2)C1 50228381 169254995 /nfs/dbraw/zinc/25/49/95/169254995.db2.gz FOMMHHOTNLKIKT-SNVBAGLBSA-N 1 0 196.294 1.126 50 0 ADAARO [NH3+][C@@H]1CCOc2c(F)cc(F)cc21 16082999 169255001 /nfs/dbraw/zinc/25/50/01/169255001.db2.gz ZKIGFYDHFRNAMR-MRVPVSSYSA-N 1 0 185.173 1.747 50 0 in-vitro ADAARO [NH3+][C@@H]1CCOc2cc3c(cc21)OCO3 36928654 169255014 /nfs/dbraw/zinc/25/50/14/169255014.db2.gz WVDGCAFJUJGSGF-SSDOTTSWSA-N 1 0 193.202 1.198 50 0 ADAARO [NH3+][C@@H]1CCN(c2cccc(Cl)c2)C1 33426884 169255016 /nfs/dbraw/zinc/25/50/16/169255016.db2.gz GWDPWSOIMSXLGX-SECBINFHSA-N 1 0 196.681 1.877 50 0 ADAARO [NH3+][C@@H]1CCO[C@@H](c2cccnc2)C1 69851064 169255019 /nfs/dbraw/zinc/25/50/19/169255019.db2.gz PNXJMZAFZYHREV-NXEZZACHSA-N 1 0 178.235 1.260 50 0 ADAARO [NH3+][C@@H]1CCOC2(CCC2)C1 78876444 169255044 /nfs/dbraw/zinc/25/50/44/169255044.db2.gz RMVLBZZOXGVWJU-SSDOTTSWSA-N 1 0 141.214 1.047 50 0 in-vitro ADAARO [NH3+][C@@H]1CCO[C@@H](c2ccncc2)C1 69851168 169255068 /nfs/dbraw/zinc/25/50/68/169255068.db2.gz LWMFZAJVJWFJBV-NXEZZACHSA-N 1 0 178.235 1.260 50 0 ADAARO [NH3+][C@@H]1CCOc2ccccc21 3899145 169255110 /nfs/dbraw/zinc/25/51/10/169255110.db2.gz LCOFMNJNNXWKOC-MRVPVSSYSA-N 1 0 149.193 1.469 50 0 in-vitro ADAARO [NH3+][C@@H]1CCN(Cc2ccccc2F)C1 37241453 169255118 /nfs/dbraw/zinc/25/51/18/169255118.db2.gz JYOZUVICJSUXTQ-SNVBAGLBSA-N 1 0 194.253 1.359 50 0 ADAARO [NH3+][C@@H]1CC[C@H]2CCC[C@H]2C1 71373463 169255264 /nfs/dbraw/zinc/25/52/64/169255264.db2.gz UYUWBPXEXFNUAF-HRDYMLBCSA-N 1 0 139.242 1.914 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@@H]1OCc1ccccc1 38997276 169255273 /nfs/dbraw/zinc/25/52/73/169255273.db2.gz PWZQZJTVISDNTA-MNOVXSKESA-N 1 0 177.247 1.693 50 0 ADAARO [NH3+][C@@H]1CCc2cc(F)ccc21 19810466 169255310 /nfs/dbraw/zinc/25/53/10/169255310.db2.gz POTIEZMRLKEJOZ-SECBINFHSA-N 1 0 151.184 1.772 50 0 in-vitro ADAARO [NH3+][C@@H]1CCc2c([nH]c3ccccc23)C1 82392118 169255325 /nfs/dbraw/zinc/25/53/25/169255325.db2.gz DEBNIKRHYDWHIG-MRVPVSSYSA-N 1 0 186.258 1.984 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@H]2SCCS[C@@H]12 88611474 169255335 /nfs/dbraw/zinc/25/53/35/169255335.db2.gz GPPNJTHAGQINFK-QYNIQEEDSA-N 1 0 175.322 1.325 50 0 ADAARO [NH3+][C@@H]1CCSC2(CCC2)C1 82405804 169255379 /nfs/dbraw/zinc/25/53/79/169255379.db2.gz WVJNAAVQVVVXPE-SSDOTTSWSA-N 1 0 157.282 1.763 50 0 ADAARO [NH3+][C@@H]1CCc2c(F)ccc(F)c21 42405115 169255392 /nfs/dbraw/zinc/25/53/92/169255392.db2.gz MREJFNFNYNZXOJ-MRVPVSSYSA-N 1 0 169.174 1.911 50 0 ADAARO [NH3+][C@@H]1CCc2c(O)cccc21 19511932 169255395 /nfs/dbraw/zinc/25/53/95/169255395.db2.gz GWFKPABLUSNUAP-MRVPVSSYSA-N 1 0 149.193 1.338 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 95774585 169255400 /nfs/dbraw/zinc/25/54/00/169255400.db2.gz VKIFPMAIIHJUEF-NGJCXOISSA-N 1 0 147.168 1.379 50 0 ADAARO [NH3+][C@@H]1CCc2c(F)cccc21 8699612 169255430 /nfs/dbraw/zinc/25/54/30/169255430.db2.gz SIIMRBDZNUKOAC-SECBINFHSA-N 1 0 151.184 1.772 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@H]1C(F)(F)F 57219007 169255431 /nfs/dbraw/zinc/25/54/31/169255431.db2.gz MEOSMVOYORVSJA-QWWZWVQMSA-N 1 0 139.120 1.286 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@H]2CCC[C@@H]2C1 18504150 169255436 /nfs/dbraw/zinc/25/54/36/169255436.db2.gz UYUWBPXEXFNUAF-IWSPIJDZSA-N 1 0 139.242 1.914 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@H]1C1CCC1 161660832 169255461 /nfs/dbraw/zinc/25/54/61/169255461.db2.gz FCDCYVAHYWSBAR-JGVFFNPUSA-N 1 0 125.215 1.524 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@H](OC(F)F)C1 158850688 169255469 /nfs/dbraw/zinc/25/54/69/169255469.db2.gz BSKXSHHPXOUPLU-UHNVWZDZSA-N 1 0 151.156 1.105 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@H]2SCCS[C@H]12 88611472 169255510 /nfs/dbraw/zinc/25/55/10/169255510.db2.gz GPPNJTHAGQINFK-FSDSQADBSA-N 1 0 175.322 1.325 50 0 ADAARO [NH3+][C@@H]1CCc2c(F)cc(F)cc21 8699613 169255563 /nfs/dbraw/zinc/25/55/63/169255563.db2.gz PMEWWUGTAKIVBC-SECBINFHSA-N 1 0 169.174 1.911 50 0 ADAARO [NH3+][C@@H]1CC[C@@H]2SCCS[C@@H]21 88611473 169255569 /nfs/dbraw/zinc/25/55/69/169255569.db2.gz GPPNJTHAGQINFK-DSYKOEDSSA-N 1 0 175.322 1.325 50 0 ADAARO [NH3+][C@@H]1CC[C@@H]2CCC[C@H]2C1 71373464 169255590 /nfs/dbraw/zinc/25/55/90/169255590.db2.gz UYUWBPXEXFNUAF-XHNCKOQMSA-N 1 0 139.242 1.914 50 0 in-vitro ADAARO [NH3+][C@@H]1CCc2cc(O)ccc2C1 27549882 169255609 /nfs/dbraw/zinc/25/56/09/169255609.db2.gz QXGFZXONNHGLNR-SECBINFHSA-N 1 0 163.220 1.208 50 0 ADAARO [NH3+][C@@H]1CC[C@@H]1C1CC1 87935585 169255621 /nfs/dbraw/zinc/25/56/21/169255621.db2.gz KXPVVIGIQFYGPL-RNFRBKRXSA-N 1 0 111.188 1.134 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@H]2C[C@H]2C1 33875515 169255657 /nfs/dbraw/zinc/25/56/57/169255657.db2.gz UFGBMEFPOGIKLC-LYFYHCNISA-N 1 0 111.188 1.134 50 0 ADAARO [NH3+][C@@H]1CCc2cc(O)cc(F)c21 104506070 169255676 /nfs/dbraw/zinc/25/56/76/169255676.db2.gz NRXRCMFFBMSROQ-MRVPVSSYSA-N 1 0 167.183 1.477 50 0 ADAARO [NH3+][C@@H]1CC[C@@H]2SCCS[C@H]21 88611475 169255720 /nfs/dbraw/zinc/25/57/20/169255720.db2.gz GPPNJTHAGQINFK-VQVTYTSYSA-N 1 0 175.322 1.325 50 0 ADAARO [NH3+][C@@H]1CC[C@@H](OC(F)F)C1 158850819 169255753 /nfs/dbraw/zinc/25/57/53/169255753.db2.gz BSKXSHHPXOUPLU-RFZPGFLSSA-N 1 0 151.156 1.105 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@H]1OCc1ccccc1 88613722 169255783 /nfs/dbraw/zinc/25/57/83/169255783.db2.gz PWZQZJTVISDNTA-GHMZBOCLSA-N 1 0 177.247 1.693 50 0 ADAARO [NH3+][C@@H]1CC[C@@H]1c1ccccc1 68575784 169255815 /nfs/dbraw/zinc/25/58/15/169255815.db2.gz PKMQLQANCCIABY-NXEZZACHSA-N 1 0 147.221 1.891 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@H]1c1ccccc1 68575781 169255817 /nfs/dbraw/zinc/25/58/17/169255817.db2.gz PKMQLQANCCIABY-VHSXEESVSA-N 1 0 147.221 1.891 50 0 in-vitro ADAARO [NH3+][C@H]1CC[C@](O)(C(F)(F)F)CC1 103541066 169255898 /nfs/dbraw/zinc/25/58/98/169255898.db2.gz XQZKKRXYSBWMAL-OLQVQODUSA-N 1 0 183.173 1.181 50 0 ADAARO [NH3+][C@@H]1CCc2cc(F)c(F)cc21 95642282 169255910 /nfs/dbraw/zinc/25/59/10/169255910.db2.gz UUVNJMGXPIYWEI-SECBINFHSA-N 1 0 169.174 1.911 50 0 ADAARO [NH3+][C@@H]1CC[C@@H]1C1CCC1 161660944 169255939 /nfs/dbraw/zinc/25/59/39/169255939.db2.gz FCDCYVAHYWSBAR-HTQZYQBOSA-N 1 0 125.215 1.524 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F 95774583 169255940 /nfs/dbraw/zinc/25/59/40/169255940.db2.gz VKIFPMAIIHJUEF-PBXRRBTRSA-N 1 0 147.168 1.379 50 0 ADAARO [NH3+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 18504146 169255964 /nfs/dbraw/zinc/25/59/64/169255964.db2.gz UYUWBPXEXFNUAF-DJLDLDEBSA-N 1 0 139.242 1.914 50 0 in-vitro ADAARO [NH3+][C@@H]1CCc2cc(F)cc(F)c21 88187481 169255999 /nfs/dbraw/zinc/25/59/99/169255999.db2.gz WFNMSZYZLUAEER-MRVPVSSYSA-N 1 0 169.174 1.911 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@@H]2C[C@@H]2C1 104637848 169256034 /nfs/dbraw/zinc/25/60/34/169256034.db2.gz UFGBMEFPOGIKLC-FSDSQADBSA-N 1 0 111.188 1.134 50 0 ADAARO [NH3+][C@@H]1CCc2[nH]c3ccccc3c2C1 36459481 169256067 /nfs/dbraw/zinc/25/60/67/169256067.db2.gz UFRCIKMHUAOIAT-MRVPVSSYSA-N 1 0 186.258 1.984 50 0 in-vitro ADAARO [NH3+][C@H]1CC[C@H](Nc2ccncn2)CC1 242548477 169256074 /nfs/dbraw/zinc/25/60/74/169256074.db2.gz LMOYXOXLXOTNHX-KYZUINATSA-N 1 0 192.266 1.158 50 0 ADAARO [NH3+][C@@H]1CC[C@H]1C1CC1 87935584 169256196 /nfs/dbraw/zinc/25/61/96/169256196.db2.gz KXPVVIGIQFYGPL-NKWVEPMBSA-N 1 0 111.188 1.134 50 0 in-vitro ADAARO [NH3+][C@@H]1CCc2ccc(F)c(F)c21 115344499 169256298 /nfs/dbraw/zinc/25/62/98/169256298.db2.gz DAURVHMJENUGCM-SSDOTTSWSA-N 1 0 169.174 1.911 50 0 ADAARO [NH3+][C@@H]1CCc2ccccc2-n2ccnc21 91690974 169256342 /nfs/dbraw/zinc/25/63/42/169256342.db2.gz UMFYXYABQLRNNV-SNVBAGLBSA-N 1 0 199.257 1.818 50 0 in-vitro ADAARO [NH3+][C@@H]1COc2ccc(F)cc2C1 16083023 169256399 /nfs/dbraw/zinc/25/63/99/169256399.db2.gz LETPIFPZROEKBV-QMMMGPOBSA-N 1 0 167.183 1.088 50 0 in-vitro ADAARO [NH3+][C@@H]1CCc2ccccc2C1 4721990 169256408 /nfs/dbraw/zinc/25/64/08/169256408.db2.gz LCGFVWKNXLRFIF-SNVBAGLBSA-N 1 0 147.221 1.503 50 0 in-vivo ADAARO [NH3+][C@@H]1CSCc2ccccc21 30678336 169256508 /nfs/dbraw/zinc/25/65/08/169256508.db2.gz KXDJNGZVNLZVDB-SECBINFHSA-N 1 0 165.261 1.933 50 0 in-vitro ADAARO [NH3+][C@@H]1CCc2ccccc21 2043980 169256535 /nfs/dbraw/zinc/25/65/35/169256535.db2.gz XJEVHMGJSYVQBQ-SECBINFHSA-N 1 0 133.194 1.633 50 0 in-vitro ADAARO N[C@@H]1COc2ccc(Cl)cc2C1=O 84769878 169256608 /nfs/dbraw/zinc/25/66/08/169256608.db2.gz BGSKSBPBHPVBOG-SSDOTTSWSA-N 1 0 197.621 1.242 50 0 ADAARO [NH3+][C@@H]1CCc2ncccc21 25920493 169256738 /nfs/dbraw/zinc/25/67/38/169256738.db2.gz BUJYYGHIOAAFOO-SSDOTTSWSA-N 1 0 134.182 1.028 50 0 in-vitro ADAARO [NH3+][C@@H]1CCc2ccc(O)cc21 34402437 169256793 /nfs/dbraw/zinc/25/67/93/169256793.db2.gz MOUPGBDOLGDVNW-SECBINFHSA-N 1 0 149.193 1.338 50 0 in-vitro ADAARO [NH3+][C@@H]1COc2cc(Cl)ccc2C1 33823877 169256837 /nfs/dbraw/zinc/25/68/37/169256837.db2.gz SFCGCBIKHFWQOV-QMMMGPOBSA-N 1 0 183.638 1.602 50 0 ADAARO [NH3+][C@@H]1CCc2ccccc2OC1 34462645 169256866 /nfs/dbraw/zinc/25/68/66/169256866.db2.gz ZXCBMTVJPMHQBK-SECBINFHSA-N 1 0 163.220 1.339 50 0 ADAARO [NH3+][C@@H]1CCc2cccnc21 25920677 169256874 /nfs/dbraw/zinc/25/68/74/169256874.db2.gz VUJXLKVRHHCKDR-SSDOTTSWSA-N 1 0 134.182 1.028 50 0 ADAARO [NH3+][C@@H]1COC2(CCCC2)C1 12343532 169256949 /nfs/dbraw/zinc/25/69/49/169256949.db2.gz LTYSMVXAJZQBNP-ZETCQYMHSA-N 1 0 141.214 1.047 50 0 in-vitro ADAARO [NH3+][C@@H]1CCc2ccc(F)cc21 3812801 169256983 /nfs/dbraw/zinc/25/69/83/169256983.db2.gz KZXWOWJBKSZXAL-SECBINFHSA-N 1 0 151.184 1.772 50 0 in-vitro ADAARO [NH3+][C@@H]1CCc2ccc(F)cc2C1 71606936 169257047 /nfs/dbraw/zinc/25/70/47/169257047.db2.gz WWEGVSHNWGNDIX-SNVBAGLBSA-N 1 0 165.211 1.642 50 0 in-vitro ADAARO [NH3+][C@@H]1COc2cc(F)ccc2C1 82852632 169257119 /nfs/dbraw/zinc/25/71/19/169257119.db2.gz OJCOGPPOMGBPKF-QMMMGPOBSA-N 1 0 167.183 1.088 50 0 in-vitro ADAARO [NH3+][C@@H]1CCc2ccc(O)cc2C1 13759806 169257150 /nfs/dbraw/zinc/25/71/50/169257150.db2.gz VIYAPIMIOKKYNF-SECBINFHSA-N 1 0 163.220 1.208 50 0 in-vitro ADAARO [NH3+][C@@H]1CCc2sccc21 19727509 169257175 /nfs/dbraw/zinc/25/71/75/169257175.db2.gz IVLUVSDYAOCOJQ-ZCFIWIBFSA-N 1 0 139.223 1.694 50 0 ADAARO [NH3+][C@@H]1COC2(CCCCC2)C1 12343535 169257178 /nfs/dbraw/zinc/25/71/78/169257178.db2.gz PSIITUUECNJZIB-QMMMGPOBSA-N 1 0 155.241 1.437 50 0 ADAARO [NH3+][C@@H]1CCc2nc3c(n2C1)CCCC3 70626514 169257211 /nfs/dbraw/zinc/25/72/11/169257211.db2.gz NZYXMKZZJQFJTJ-MRVPVSSYSA-N 1 0 191.278 1.035 50 0 in-vitro ADAARO [NH3+][C@@H]1COc2c(F)cc(F)cc2C1 16083043 169257233 /nfs/dbraw/zinc/25/72/33/169257233.db2.gz XESORRKVRNORPM-ZETCQYMHSA-N 1 0 185.173 1.227 50 0 in-vitro ADAARO [NH3+][C@@H]1CCc2sccc2C1=O 38981937 169257411 /nfs/dbraw/zinc/25/74/11/169257411.db2.gz JGXCDNBDDWMYFQ-ZCFIWIBFSA-N 1 0 167.233 1.204 50 0 ADAARO [NH3+][C@@H]1COc2c(Cl)cccc2C1 16083001 169257541 /nfs/dbraw/zinc/25/75/41/169257541.db2.gz GUOKZIYMFPPBPX-ZETCQYMHSA-N 1 0 183.638 1.602 50 0 ADAARO [NH3+][C@@H]1CCc2ccccc2C1=O 53224469 169257564 /nfs/dbraw/zinc/25/75/64/169257564.db2.gz MUGWUYGVUZLWRB-SECBINFHSA-N 1 0 161.204 1.143 50 0 in-vitro ADAARO [NH3+][C@@H]1COC[C@H]1c1ccc(F)cc1 77010470 169257720 /nfs/dbraw/zinc/25/77/20/169257720.db2.gz WSHINYARADCBCP-VHSXEESVSA-N 1 0 181.210 1.267 50 0 ADAARO [NH3+][C@@H]1CCc2cccc(F)c2NC1=O 36533737 169257738 /nfs/dbraw/zinc/25/77/38/169257738.db2.gz XFQSXISBXFUHEE-MRVPVSSYSA-N 1 0 194.209 1.038 50 0 ADAARO [NH3+][C@@H]1C[C@@H]1c1ccc(O)cc1 32169158 169257887 /nfs/dbraw/zinc/25/78/87/169257887.db2.gz HADIWKXZWHXEDX-RKDXNWHRSA-N 1 0 149.193 1.207 50 0 ADAARO [NH3+][C@@H]1C[C@@H]1c1ccc(F)cc1 32005666 169257984 /nfs/dbraw/zinc/25/79/84/169257984.db2.gz GTYFDGYGRFJTKJ-RKDXNWHRSA-N 1 0 151.184 1.640 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@@H]1c1cnn(-c2ccccc2)c1 37381399 169258064 /nfs/dbraw/zinc/25/80/64/169258064.db2.gz HFQNYSSJDMKGOT-VXGBXAGGSA-N 1 0 199.257 1.687 50 0 ADAARO [NH3+][C@@H]1CSc2ccccc2C1 34187865 169258276 /nfs/dbraw/zinc/25/82/76/169258276.db2.gz HMJPRXLPAGOYFX-QMMMGPOBSA-N 1 0 165.261 1.662 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@@H]1c1ccc(F)c(F)c1 37381287 169258289 /nfs/dbraw/zinc/25/82/89/169258289.db2.gz QVUBIQNXHRPJKK-HZGVNTEJSA-N 1 0 169.174 1.779 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@@H]1c1ccnn1-c1ccccc1 263619749 169258327 /nfs/dbraw/zinc/25/83/27/169258327.db2.gz ULUNAKUGKIQXAL-WDEREUQCSA-N 1 0 199.257 1.687 50 0 ADAARO [NH3+][C@@H]1C[C@H](O)c2ccccc21 33992123 169258396 /nfs/dbraw/zinc/25/83/96/169258396.db2.gz PRVIGUZMXLBANS-BDAKNGLRSA-N 1 0 149.193 1.124 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@@H]1c1cccc(F)c1 34075536 169258463 /nfs/dbraw/zinc/25/84/63/169258463.db2.gz OXGGARNLAOPVNV-RKDXNWHRSA-N 1 0 151.184 1.640 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@@H]1c1ccccc1 1639567 169258486 /nfs/dbraw/zinc/25/84/86/169258486.db2.gz AELCINSCMGFISI-RKDXNWHRSA-N 1 0 133.194 1.501 50 0 fda ADAARO [NH3+][C@@H]1C[C@@]12CCc1ccccc12 52126246 169258503 /nfs/dbraw/zinc/25/85/03/169258503.db2.gz SGGAHRNIDLQRJU-GHMZBOCLSA-N 1 0 159.232 1.602 50 0 ADAARO [NH3+][C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 32008348 169258724 /nfs/dbraw/zinc/25/87/24/169258724.db2.gz GSPFKVFDDIWQHT-RKDXNWHRSA-N 1 0 191.230 1.272 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 62720190 169258726 /nfs/dbraw/zinc/25/87/26/169258726.db2.gz WLHMNWIKAFDIJR-SVGQVSJJSA-N 1 0 187.164 1.919 50 0 ADAARO [NH3+][C@@H]1C[C@H](CO)c2ccccc21 96034421 169258740 /nfs/dbraw/zinc/25/87/40/169258740.db2.gz ZVIAYSDZXBSHLK-GMSGAONNSA-N 1 0 163.220 1.166 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@@H]1c1ccc(F)cc1F 37381463 169258808 /nfs/dbraw/zinc/25/88/08/169258808.db2.gz VGOOBWCLQZIMCR-VXNVDRBHSA-N 1 0 169.174 1.779 50 0 ADAARO [NH3+][C@@H]1C[C@@H]1C1CCCCC1 13538131 169258842 /nfs/dbraw/zinc/25/88/42/169258842.db2.gz ONVVLKQGFMQYMT-RKDXNWHRSA-N 1 0 139.242 1.914 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@@H]2CC[C@H]1C2 3096511 169258862 /nfs/dbraw/zinc/25/88/62/169258862.db2.gz JEPPYVOSGKWVSJ-DSYKOEDSSA-N 1 0 111.188 1.134 50 0 ADAARO [NH3+][C@@H]1CSc2ccccc21 35761839 169258863 /nfs/dbraw/zinc/25/88/63/169258863.db2.gz DNIHSQRMUDUEQZ-SSDOTTSWSA-N 1 0 151.234 1.792 50 0 ADAARO [NH3+][C@@H]1C[C@@H]1C1CCCC1 51690490 169258891 /nfs/dbraw/zinc/25/88/91/169258891.db2.gz ICVLGQPTZAJNFJ-HTQZYQBOSA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+][C@@H]1C[C@@]1(F)c1ccccc1 13584952 169258902 /nfs/dbraw/zinc/25/89/02/169258902.db2.gz UJTQURLMCYMANH-RKDXNWHRSA-N 1 0 151.184 1.582 50 0 ADAARO [NH3+][C@@H]1C[C@]12CCCc1ccccc12 52126069 169259056 /nfs/dbraw/zinc/25/90/56/169259056.db2.gz IGXYHBHMUDFFIA-NEPJUHHUSA-N 1 0 173.259 1.992 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@H]1c1cccc(F)c1F 71373214 169259268 /nfs/dbraw/zinc/25/92/68/169259268.db2.gz MCABSRDMAUTFDE-POYBYMJQSA-N 1 0 169.174 1.779 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@H]1c1ccc(F)cc1 32005671 169259337 /nfs/dbraw/zinc/25/93/37/169259337.db2.gz GTYFDGYGRFJTKJ-DTWKUNHWSA-N 1 0 151.184 1.640 50 0 in-vitro ADAARO [NH3+][C@@H]1Cc2ccc(Cl)cc2NC1=O 35269896 169259345 /nfs/dbraw/zinc/25/93/45/169259345.db2.gz JFSYTKHSFPNCAO-SSDOTTSWSA-N 1 0 196.637 1.162 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@]12CCc1ccccc12 52126247 169259366 /nfs/dbraw/zinc/25/93/66/169259366.db2.gz SGGAHRNIDLQRJU-MNOVXSKESA-N 1 0 159.232 1.602 50 0 ADAARO [NH3+][C@@H]1C[C@H]1c1ccc(O)cc1 6093223 169259402 /nfs/dbraw/zinc/25/94/02/169259402.db2.gz HADIWKXZWHXEDX-DTWKUNHWSA-N 1 0 149.193 1.207 50 0 in-vitro ADAARO [NH3+][C@@H]1Cc2[nH]c3ccccc3c2C1 66339898 169259408 /nfs/dbraw/zinc/25/94/08/169259408.db2.gz FKWRARFTNIXGCG-ZETCQYMHSA-N 1 0 172.231 1.594 50 0 ADAARO [NH3+][C@@H]1C[C@]1(F)c1ccccc1 13584960 169259481 /nfs/dbraw/zinc/25/94/81/169259481.db2.gz UJTQURLMCYMANH-BDAKNGLRSA-N 1 0 151.184 1.582 50 0 in-vivo ADAARO [NH3+][C@@H]1Cc2cc(Cl)ccc2NC1=O 34368790 169259618 /nfs/dbraw/zinc/25/96/18/169259618.db2.gz OQKMOCCCXJFWLP-SSDOTTSWSA-N 1 0 196.637 1.162 50 0 ADAARO [NH3+][C@@H]1Cc2ccc(F)cc2C1 40448815 169259658 /nfs/dbraw/zinc/25/96/58/169259658.db2.gz VAAFFDVGGMHGHW-SECBINFHSA-N 1 0 151.184 1.252 50 0 ADAARO [NH3+][C@@H]1C[C@H]1C1CCCCC1 13538135 169259691 /nfs/dbraw/zinc/25/96/91/169259691.db2.gz ONVVLKQGFMQYMT-DTWKUNHWSA-N 1 0 139.242 1.914 50 0 ADAARO [NH3+][C@@H]1Cc2ccc(Cl)cc2C1 60071406 169259708 /nfs/dbraw/zinc/25/97/08/169259708.db2.gz KBMVAIAEDLKXCX-SECBINFHSA-N 1 0 167.639 1.766 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@H]1c1ccnn1-c1ccccc1 263619746 169259740 /nfs/dbraw/zinc/25/97/40/169259740.db2.gz ULUNAKUGKIQXAL-GHMZBOCLSA-N 1 0 199.257 1.687 50 0 ADAARO [NH3+][C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 37381396 169259742 /nfs/dbraw/zinc/25/97/42/169259742.db2.gz HFQNYSSJDMKGOT-NWDGAFQWSA-N 1 0 199.257 1.687 50 0 ADAARO [NH3+][C@@H]1C[C@H]1C1CCCC1 51690489 169259807 /nfs/dbraw/zinc/25/98/07/169259807.db2.gz ICVLGQPTZAJNFJ-JGVFFNPUSA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+][C@@H]1Cc2ccccc21 4273538 169259815 /nfs/dbraw/zinc/25/98/15/169259815.db2.gz OVLLQUKHPTXIBH-MRVPVSSYSA-N 1 0 119.167 1.243 50 0 ADAARO [NH3+][C@@H]1C[C@H]2CCC[C@@](O)(C1)C2 217619383 169259902 /nfs/dbraw/zinc/25/99/02/169259902.db2.gz XLDHKXYUHLQDDJ-HLTSFMKQSA-N 1 0 155.241 1.029 50 0 ADAARO [NH3+][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 62720188 169259930 /nfs/dbraw/zinc/25/99/30/169259930.db2.gz WLHMNWIKAFDIJR-YLWLKBPMSA-N 1 0 187.164 1.919 50 0 ADAARO [NH3+][C@@H]1C[C@H]1c1ccc(F)c(F)c1 33975233 169259950 /nfs/dbraw/zinc/25/99/50/169259950.db2.gz QVUBIQNXHRPJKK-IMTBSYHQSA-N 1 0 169.174 1.779 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@H]2CC[C@@H]1C2 1575593 169260056 /nfs/dbraw/zinc/26/00/56/169260056.db2.gz JEPPYVOSGKWVSJ-RRKCRQDMSA-N 1 0 111.188 1.134 50 0 ADAARO [NH3+][C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 32008351 169260091 /nfs/dbraw/zinc/26/00/91/169260091.db2.gz GSPFKVFDDIWQHT-DTWKUNHWSA-N 1 0 191.230 1.272 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@H]1c1cccc(F)c1 34075535 169260105 /nfs/dbraw/zinc/26/01/05/169260105.db2.gz OXGGARNLAOPVNV-DTWKUNHWSA-N 1 0 151.184 1.640 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@H]1c1ccccc1 1482197 169260125 /nfs/dbraw/zinc/26/01/25/169260125.db2.gz AELCINSCMGFISI-DTWKUNHWSA-N 1 0 133.194 1.501 50 0 fda ADAARO [NH3+][C@@H]1C[C@H]1c1ccsc1 20380982 169260166 /nfs/dbraw/zinc/26/01/66/169260166.db2.gz LMXUPPWQKXDJNR-NKWVEPMBSA-N 1 0 139.223 1.563 50 0 ADAARO [NH3+][C@@H]1Cc2cccc(F)c2C1 39088458 169260167 /nfs/dbraw/zinc/26/01/67/169260167.db2.gz FJAYLUFWDPGQSK-SSDOTTSWSA-N 1 0 151.184 1.252 50 0 ADAARO [NH3+][C@@H]1C[C@H]1c1cc(F)ccc1F 37381201 169260251 /nfs/dbraw/zinc/26/02/51/169260251.db2.gz GKCSCAZEVIMQGV-IONNQARKSA-N 1 0 169.174 1.779 50 0 ADAARO [NH3+][C@@H]1C[C@H]1c1ccc(F)cc1F 37381460 169260360 /nfs/dbraw/zinc/26/03/60/169260360.db2.gz VGOOBWCLQZIMCR-IONNQARKSA-N 1 0 169.174 1.779 50 0 ADAARO [NH3+][C@@H]1c2ccccc2CC[C@@H]1CO 82917980 169260561 /nfs/dbraw/zinc/26/05/61/169260561.db2.gz KERFCYXXJGLLMP-KOLCDFICSA-N 1 0 177.247 1.241 50 0 in-vitro ADAARO [NH3+][C@@H]1[C@@H]2CCc3ccccc3[C@H]12 82163882 169260644 /nfs/dbraw/zinc/26/06/44/169260644.db2.gz SBILXWPLTHWALB-OUAUKWLOSA-N 1 0 159.232 1.674 50 0 ADAARO [NH3+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 84543998 169260826 /nfs/dbraw/zinc/26/08/26/169260826.db2.gz SECNRCAOCKDXOF-YIZRAAEISA-N 1 0 167.252 1.293 50 0 in-vitro ADAARO [NH3+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 84543996 169260858 /nfs/dbraw/zinc/26/08/58/169260858.db2.gz SECNRCAOCKDXOF-HLTSFMKQSA-N 1 0 167.252 1.293 50 0 in-vitro ADAARO [NH3+][C@@H]1[C@H]2Cc3ccccc3[C@H]21 78210720 169260944 /nfs/dbraw/zinc/26/09/44/169260944.db2.gz MRQQKEOKFDVEEL-IVZWLZJFSA-N 1 0 145.205 1.283 50 0 in-vitro ADAARO [NH3+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 238855498 169260989 /nfs/dbraw/zinc/26/09/89/169260989.db2.gz SECNRCAOCKDXOF-DJLDLDEBSA-N 1 0 167.252 1.293 50 0 in-vitro ADAARO [NH3+][C@@H]1[C@H]2CCCC[C@H]21 104566990 169261070 /nfs/dbraw/zinc/26/10/70/169261070.db2.gz DYJJOXPTDCNLEF-ZMONIFLSSA-N 1 0 111.188 1.134 50 0 in-vitro ADAARO [NH3+][C@@H]1[C@H]2CCc3ccccc3[C@H]21 82163880 169261187 /nfs/dbraw/zinc/26/11/87/169261187.db2.gz SBILXWPLTHWALB-HBNTYKKESA-N 1 0 159.232 1.674 50 0 ADAARO [NH3+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 238855499 169261331 /nfs/dbraw/zinc/26/13/31/169261331.db2.gz SECNRCAOCKDXOF-IWSPIJDZSA-N 1 0 167.252 1.293 50 0 in-vitro ADAARO [NH3+][C@@H]1c2ccccc2CC[C@H]1CO 82917981 169261420 /nfs/dbraw/zinc/26/14/20/169261420.db2.gz KERFCYXXJGLLMP-ONGXEEELSA-N 1 0 177.247 1.241 50 0 in-vitro ADAARO [NH3+][C@@]1(CO)CCCc2ccccc21 38124641 169262136 /nfs/dbraw/zinc/26/21/36/169262136.db2.gz IYEBNYLABGDEEP-LLVKDONJSA-N 1 0 177.247 1.169 50 0 in-vitro ADAARO [NH3+][C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 100009324 169262476 /nfs/dbraw/zinc/26/24/76/169262476.db2.gz DWPIPTNBOVJYAD-FIRGSJFUSA-N 1 0 167.252 1.029 50 0 ADAARO [NH3+][C@H](C1CC1)[C@@H]1CCCCO1 17764644 169263358 /nfs/dbraw/zinc/26/33/58/169263358.db2.gz MZAXHGASPQPTNW-DTWKUNHWSA-N 1 0 155.241 1.293 50 0 ADAARO [NH3+][C@H](C1CC1)[C@H]1CCCOC1 17764435 169263654 /nfs/dbraw/zinc/26/36/54/169263654.db2.gz XPQMXYVACLNHHG-DTWKUNHWSA-N 1 0 155.241 1.150 50 0 ADAARO [NH3+][C@H](C1CC1)[C@H]1CCCCO1 17764649 169264317 /nfs/dbraw/zinc/26/43/17/169264317.db2.gz MZAXHGASPQPTNW-RKDXNWHRSA-N 1 0 155.241 1.293 50 0 ADAARO [NH3+][C@H](C1CCOCC1)C1CC1 17764351 169264335 /nfs/dbraw/zinc/26/43/35/169264335.db2.gz BJPHMYGQSFUWNI-VIFPVBQESA-N 1 0 155.241 1.150 50 0 ADAARO [NH3+][C@H](CC(F)(F)F)C1CC1 70621804 169264354 /nfs/dbraw/zinc/26/43/54/169264354.db2.gz RGFGDTLHPIWTRQ-RXMQYKEDSA-N 1 0 153.147 1.676 50 0 in-vitro ADAARO [NH3+][C@H](C1CC1)[C@@H]1CCCOC1 17764429 169264402 /nfs/dbraw/zinc/26/44/02/169264402.db2.gz XPQMXYVACLNHHG-RKDXNWHRSA-N 1 0 155.241 1.150 50 0 ADAARO [NH3+][C@H](CCCO)c1ccccc1 20442619 169264684 /nfs/dbraw/zinc/26/46/84/169264684.db2.gz AGOPKBQSZNSGSA-SNVBAGLBSA-N 1 0 165.236 1.459 50 0 in-vitro ADAARO [NH3+][C@H](CCO)c1ccccc1F 4037458 169264743 /nfs/dbraw/zinc/26/47/43/169264743.db2.gz KPRDDNOUZSPGDK-SECBINFHSA-N 1 0 169.199 1.208 50 0 in-vitro ADAARO [NH3+][C@H](CCO)c1ccnc(Cl)c1 83276797 169264792 /nfs/dbraw/zinc/26/47/92/169264792.db2.gz KSARUZNRHFDZMO-SSDOTTSWSA-N 1 0 186.642 1.117 50 0 ADAARO [NH3+][C@H](CCO)C1CCCCC1 2530268 169264992 /nfs/dbraw/zinc/26/49/92/169264992.db2.gz INIIZXNMNKIITF-SECBINFHSA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO [NH3+][C@H](CCO)c1ccccc1Cl 2530249 169265006 /nfs/dbraw/zinc/26/50/06/169265006.db2.gz MJTCBVJNSSTRIS-SECBINFHSA-N 1 0 185.654 1.722 50 0 in-vitro ADAARO [NH3+][C@H](CCO)c1ccc(F)cc1F 44232632 169265012 /nfs/dbraw/zinc/26/50/12/169265012.db2.gz NYJUMGOILSWHAV-SECBINFHSA-N 1 0 187.189 1.347 50 0 ADAARO [NH3+][C@H](CCO)c1ccc(F)cc1 2535243 169265101 /nfs/dbraw/zinc/26/51/01/169265101.db2.gz CCJPLYPJQZYBLI-SECBINFHSA-N 1 0 169.199 1.208 50 0 in-vitro ADAARO N[C@H](C[NH+]1CCCC1)c1ccccc1 19821168 169265107 /nfs/dbraw/zinc/26/51/07/169265107.db2.gz NIIHRUKAVZEIRO-GFCCVEGCSA-N 1 0 190.290 1.782 50 0 in-vitro ADAARO [NH3+][C@H](CCO)c1ccsc1 4037688 169265117 /nfs/dbraw/zinc/26/51/17/169265117.db2.gz IBCAXZDSJMQRKQ-SSDOTTSWSA-N 1 0 157.238 1.130 50 0 ADAARO [NH3+][C@H](CCCO)Cc1ccccc1 6096531 169265145 /nfs/dbraw/zinc/26/51/45/169265145.db2.gz ZUINCJZTERKRFJ-LLVKDONJSA-N 1 0 179.263 1.329 50 0 in-vitro ADAARO [NH3+][C@H](CCO)c1ccc(Cl)cc1 2530247 169265215 /nfs/dbraw/zinc/26/52/15/169265215.db2.gz JGNACDMQJLVKIU-SECBINFHSA-N 1 0 185.654 1.722 50 0 in-vitro ADAARO [NH3+][C@H](CF)c1ccccc1 20285796 169265246 /nfs/dbraw/zinc/26/52/46/169265246.db2.gz KSWGCLOZHMSHGB-MRVPVSSYSA-N 1 0 139.173 1.656 50 0 in-vitro ADAARO [NH3+][C@H](CCO)c1cccc(F)c1 2535241 169265431 /nfs/dbraw/zinc/26/54/31/169265431.db2.gz ZCLXAQLZFPYYQJ-SECBINFHSA-N 1 0 169.199 1.208 50 0 in-vitro ADAARO [NH3+][C@H](CCO)c1cccs1 4037272 169265448 /nfs/dbraw/zinc/26/54/48/169265448.db2.gz OQMOVOFGDQVPQM-ZCFIWIBFSA-N 1 0 157.238 1.130 50 0 in-vitro ADAARO [NH3+][C@H](CO)C12CC3CC(CC(C3)C1)C2 289773 169265457 /nfs/dbraw/zinc/26/54/57/169265457.db2.gz HBUUJKSRVMGCEK-LTMLNTECSA-N 1 0 195.306 1.522 50 0 ADAARO [NH3+][C@H](CF)c1ccc(F)cc1 20285851 169265528 /nfs/dbraw/zinc/26/55/28/169265528.db2.gz YOYLKDHQGZBJMV-MRVPVSSYSA-N 1 0 157.163 1.795 50 0 in-vitro ADAARO [NH3+][C@H](CO)CC1CCCCC1 154757 169265627 /nfs/dbraw/zinc/26/56/27/169265627.db2.gz QWDRYURVUDZKSG-VIFPVBQESA-N 1 0 157.257 1.276 50 0 in-vivo ADAARO [NH3+][C@H](CCO)c1ccccc1 2570197 169265756 /nfs/dbraw/zinc/26/57/56/169265756.db2.gz SEQXIQNPMQTBGN-SECBINFHSA-N 1 0 151.209 1.069 50 0 in-vitro ADAARO [NH3+][C@H](CCO)c1cccc(Cl)c1 2535313 169265778 /nfs/dbraw/zinc/26/57/78/169265778.db2.gz YQMOQQKIRFWPQL-SECBINFHSA-N 1 0 185.654 1.722 50 0 in-vitro ADAARO [NH3+][C@H](CO)Cc1ccccc1Cl 20268037 169266217 /nfs/dbraw/zinc/26/62/17/169266217.db2.gz BTYIMXKEQJVRSF-QMMMGPOBSA-N 1 0 185.654 1.202 50 0 ADAARO [NH3+][C@H](CO)CSCc1ccccc1 266783 169266487 /nfs/dbraw/zinc/26/64/87/169266487.db2.gz AUOITUNWAPLMBM-SNVBAGLBSA-N 1 0 197.303 1.239 50 0 in-vitro ADAARO [NH3+][C@H](CO)Cc1ccc(Cl)cc1 119803 169266518 /nfs/dbraw/zinc/26/65/18/169266518.db2.gz RPHQMRWKOPBZQY-VIFPVBQESA-N 1 0 185.654 1.202 50 0 in-vitro ADAARO [NH3+][C@H](CO)c1ccc2ccccc2c1 6658338 169266546 /nfs/dbraw/zinc/26/65/46/169266546.db2.gz WUEUHTILFFVPQH-GFCCVEGCSA-N 1 0 187.242 1.832 50 0 in-vitro ADAARO [NH3+][C@H](CO)Cc1c[nH]c2ccccc12 403176 169266599 /nfs/dbraw/zinc/26/65/99/169266599.db2.gz UDQCRUSSQAXPJY-VIFPVBQESA-N 1 0 190.246 1.030 50 0 in-vivo ADAARO [NH3+][C@H](CO)c1ccccc1Cl 34384599 169266625 /nfs/dbraw/zinc/26/66/25/169266625.db2.gz HALZSHRJUMADMG-MRVPVSSYSA-N 1 0 171.627 1.332 50 0 in-vitro ADAARO [NH3+][C@H](CO)Cc1cccc(Cl)c1 20268039 169266629 /nfs/dbraw/zinc/26/66/29/169266629.db2.gz DDOXQIODUSXROP-VIFPVBQESA-N 1 0 185.654 1.202 50 0 ADAARO [NH3+][C@H](CO)c1cc(F)c(F)c(F)c1 62720601 169266686 /nfs/dbraw/zinc/26/66/86/169266686.db2.gz HHEXZBORTSEZEF-SSDOTTSWSA-N 1 0 191.152 1.096 50 0 in-vitro ADAARO [NH3+][C@H](CO)c1ccc(Cl)c(F)c1 49808714 169266780 /nfs/dbraw/zinc/26/67/80/169266780.db2.gz BLNCONOUQXEUCP-MRVPVSSYSA-N 1 0 189.617 1.471 50 0 in-vitro ADAARO [NH3+][C@H](CO)c1ccc(F)c(Cl)c1 22112729 169266856 /nfs/dbraw/zinc/26/68/56/169266856.db2.gz CYZCJADBZVABTN-MRVPVSSYSA-N 1 0 189.617 1.471 50 0 ADAARO [NH3+][C@H](CO)c1cccc2ccccc12 12404592 169266951 /nfs/dbraw/zinc/26/69/51/169266951.db2.gz GIJHQOMBLOZMEG-GFCCVEGCSA-N 1 0 187.242 1.832 50 0 in-vitro ADAARO [NH3+][C@H](CO)c1ccc(Cl)cc1 12404648 169267018 /nfs/dbraw/zinc/26/70/18/169267018.db2.gz AJASJZNNGLIKBY-MRVPVSSYSA-N 1 0 171.627 1.332 50 0 in-vitro ADAARO [NH3+][C@H](CO)c1cccc(Cl)c1 38124674 169267292 /nfs/dbraw/zinc/26/72/92/169267292.db2.gz HLXHAXFWWGYXQW-MRVPVSSYSA-N 1 0 171.627 1.332 50 0 in-vitro ADAARO [NH3+][C@H](CO)c1cccc(Cl)c1F 72197655 169267309 /nfs/dbraw/zinc/26/73/09/169267309.db2.gz TUGSNFQSUXFGGZ-SSDOTTSWSA-N 1 0 189.617 1.471 50 0 in-vitro ADAARO [NH3+][C@H](Cc1ccccc1)C1CC1 32006079 169267517 /nfs/dbraw/zinc/26/75/17/169267517.db2.gz KWHUZILRMHTFDD-LLVKDONJSA-N 1 0 161.248 1.966 50 0 in-vitro ADAARO [NH3+][C@H](Cc1ccccn1)c1cccnc1 36890031 169267569 /nfs/dbraw/zinc/26/75/69/169267569.db2.gz UBMCONSRKGUOFH-GFCCVEGCSA-N 1 0 199.257 1.719 50 0 in-vitro ADAARO [NH3+][C@H](Cc1ccccc1)c1ncon1 36761978 169267697 /nfs/dbraw/zinc/26/76/97/169267697.db2.gz KXCKMWOCYUHBRQ-SECBINFHSA-N 1 0 189.218 1.312 50 0 ADAARO [NH3+][C@H](Cc1nnc[nH]1)c1ccccc1 42040964 169267763 /nfs/dbraw/zinc/26/77/63/169267763.db2.gz PDRYYCPBYSDOHU-SECBINFHSA-N 1 0 188.234 1.047 50 0 in-vitro ADAARO [NH3+][C@H](Cc1ncc[nH]1)c1ccccc1 9156388 169268012 /nfs/dbraw/zinc/26/80/12/169268012.db2.gz UILZJHCFDFUHKX-SNVBAGLBSA-N 1 0 187.246 1.652 50 0 in-vitro ADAARO [NH3+][C@H](Cc1ccncc1)c1cccnc1 53135068 169268218 /nfs/dbraw/zinc/26/82/18/169268218.db2.gz LWDZDHDLCOOBIZ-GFCCVEGCSA-N 1 0 199.257 1.719 50 0 ADAARO [NH3+][C@H](Cc1ccncc1)c1ccncc1 75601357 169268273 /nfs/dbraw/zinc/26/82/73/169268273.db2.gz HDQTZARIDFWFSD-GFCCVEGCSA-N 1 0 199.257 1.719 50 0 ADAARO [NH3+][C@H](Cc1ccccc1)c1nnc[nH]1 42040882 169268395 /nfs/dbraw/zinc/26/83/95/169268395.db2.gz AXMNKOLZLQLXHC-SECBINFHSA-N 1 0 188.234 1.047 50 0 ADAARO [NH3+][C@H](Cc1ccccc1)c1ncccn1 37467196 169268891 /nfs/dbraw/zinc/26/88/91/169268891.db2.gz SDUPGQBSWSABRG-LLVKDONJSA-N 1 0 199.257 1.719 50 0 ADAARO [NH3+][C@H](c1ncccn1)C1CCCC1 37467184 169269032 /nfs/dbraw/zinc/26/90/32/169269032.db2.gz PUGOQJSBCMWTQC-VIFPVBQESA-N 1 0 177.251 1.667 50 0 ADAARO [NH3+][C@H](c1cccnc1)C1CC1 17786902 169269153 /nfs/dbraw/zinc/26/91/53/169269153.db2.gz FSWNPAICGSWQJU-VIFPVBQESA-N 1 0 148.209 1.491 50 0 in-vitro ADAARO [NH3+][C@H]1/C=C/CCCCC1 102144476 169269271 /nfs/dbraw/zinc/26/92/71/169269271.db2.gz XMOAPRFICOTZFP-JQTRYQTASA-N 1 0 125.215 1.834 50 0 ADAARO [NH3+][C@H](c1ccccn1)C1CC1 17787000 169269307 /nfs/dbraw/zinc/26/93/07/169269307.db2.gz PFYIHZIVTALTCS-VIFPVBQESA-N 1 0 148.209 1.491 50 0 in-vitro ADAARO [NH3+][C@H](c1nccs1)C1CC1 41059449 169269403 /nfs/dbraw/zinc/26/94/03/169269403.db2.gz VPWQNPNTMBITDU-LURJTMIESA-N 1 0 154.238 1.553 50 0 ADAARO [NH3+][C@H](c1ccnc(F)c1)C1CC1 104663573 169269463 /nfs/dbraw/zinc/26/94/63/169269463.db2.gz YUHJXWUKHDKEGJ-VIFPVBQESA-N 1 0 166.199 1.631 50 0 ADAARO [NH3+][C@H](c1cncc(F)c1)C1CC1 49576244 169269472 /nfs/dbraw/zinc/26/94/72/169269472.db2.gz IXFIEHVZGMRZGD-VIFPVBQESA-N 1 0 166.199 1.631 50 0 ADAARO [NH3+][C@H](c1ccccc1)[C@@H]1CCCO1 19415812 169269488 /nfs/dbraw/zinc/26/94/88/169269488.db2.gz UUDKCSVNTDZTBA-WDEREUQCSA-N 1 0 177.247 1.865 50 0 in-vitro ADAARO [NH3+][C@H](c1ccncc1)C1CCC1 84329891 169269617 /nfs/dbraw/zinc/26/96/17/169269617.db2.gz KFWCZAZAYCZEAQ-JTQLQIEISA-N 1 0 162.236 1.882 50 0 ADAARO [NH3+][C@H](Cn1ccnc1)c1ccccc1 38192800 169269635 /nfs/dbraw/zinc/26/96/35/169269635.db2.gz NYQHWEIQMDYXSR-LLVKDONJSA-N 1 0 187.246 1.583 50 0 ADAARO [NH3+][C@H](Cn1cccn1)c1ccccc1 106425 169269673 /nfs/dbraw/zinc/26/96/73/169269673.db2.gz WFAQXOGGRSONDK-LLVKDONJSA-N 1 0 187.246 1.583 50 0 ADAARO [NH3+][C@H](c1ccc(F)cc1)c1ncc[nH]1 75871833 169269866 /nfs/dbraw/zinc/26/98/66/169269866.db2.gz VLEHRAVOCCWTQT-SECBINFHSA-N 1 0 191.209 1.597 50 0 ADAARO [NH3+][C@H](c1ccncc1)C1CC1 17786879 169269927 /nfs/dbraw/zinc/26/99/27/169269927.db2.gz RCNXRRXXFSTRFI-VIFPVBQESA-N 1 0 148.209 1.491 50 0 ADAARO [NH3+][C@H](c1ccccc1)C1(O)CCC1 90411140 169269961 /nfs/dbraw/zinc/26/99/61/169269961.db2.gz VMDNXLHIKOSMOJ-SNVBAGLBSA-N 1 0 177.247 1.601 50 0 ADAARO [NH3+][C@H](c1cccs1)C1(CO)CCC1 259588699 169270052 /nfs/dbraw/zinc/27/00/52/169270052.db2.gz WNIGKMOZOAOZOL-SECBINFHSA-N 1 0 197.303 1.911 50 0 ADAARO [NH3+][C@H](c1ccccc1)[C@H]1CCCO1 19415816 169270086 /nfs/dbraw/zinc/27/00/86/169270086.db2.gz UUDKCSVNTDZTBA-GHMZBOCLSA-N 1 0 177.247 1.865 50 0 in-vitro ADAARO [NH3+][C@H](c1ccc(F)cn1)C1CC1 78677781 169270181 /nfs/dbraw/zinc/27/01/81/169270181.db2.gz HECWTXZEVURLRJ-VIFPVBQESA-N 1 0 166.199 1.631 50 0 ADAARO [NH3+][C@H](c1cccnc1F)C1CC1 95674953 169270307 /nfs/dbraw/zinc/27/03/07/169270307.db2.gz LZMSTFZUKRNAMZ-QMMMGPOBSA-N 1 0 166.199 1.631 50 0 ADAARO [NH3+][C@H](c1ncccc1F)C1CC1 83574310 169270346 /nfs/dbraw/zinc/27/03/46/169270346.db2.gz QYLKMQBCYVTHLT-QMMMGPOBSA-N 1 0 166.199 1.631 50 0 ADAARO [NH3+][C@H]1CC12CCC(F)(F)CC2 95829137 169270486 /nfs/dbraw/zinc/27/04/86/169270486.db2.gz HZYXMWOXTRIDCI-LURJTMIESA-N 1 0 161.195 1.913 50 0 ADAARO [NH3+][C@H]1C=Cc2ccccc2[C@@H]1O 71772107 169270519 /nfs/dbraw/zinc/27/05/19/169270519.db2.gz MFGKAKVGEHDXSZ-UWVGGRQHSA-N 1 0 161.204 1.074 50 0 ADAARO [NH3+][C@H]1CC(=O)N(CC2CCCCC2)C1 35679552 169270551 /nfs/dbraw/zinc/27/05/51/169270551.db2.gz MIZGPIULAZEXSR-JTQLQIEISA-N 1 0 196.294 1.126 50 0 ADAARO [NH3+][C@H]1CCC12CCCC2 95836087 169270716 /nfs/dbraw/zinc/27/07/16/169270716.db2.gz SKFHSYNTRHQYPQ-ZETCQYMHSA-N 1 0 125.215 1.668 50 0 in-vitro ADAARO [NH3+][C@H]1C=CCCCCC1 34080625 169270774 /nfs/dbraw/zinc/27/07/74/169270774.db2.gz XMOAPRFICOTZFP-QMMMGPOBSA-N 1 0 125.215 1.834 50 0 ADAARO [NH3+][C@H]1CC(=O)c2sccc21 1650892 169270969 /nfs/dbraw/zinc/27/09/69/169270969.db2.gz YQMHSDHUZPPMDS-YFKPBYRVSA-N 1 0 153.206 1.334 50 0 ADAARO [NH3+][C@H]1CC12CCCC2 52126032 169271065 /nfs/dbraw/zinc/27/10/65/169271065.db2.gz LZHAFTGZJJWVMP-LURJTMIESA-N 1 0 111.188 1.278 50 0 in-vitro ADAARO [NH3+][C@H]1CC2CCC1CC2 62715184 169271113 /nfs/dbraw/zinc/27/11/13/169271113.db2.gz MCLJDHWIDXKUBS-RRQHEKLDSA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+][C@H]1CC(=O)N(C2CCCCCC2)C1 35679833 169271122 /nfs/dbraw/zinc/27/11/22/169271122.db2.gz PDQXIDMSDPYBSB-VIFPVBQESA-N 1 0 196.294 1.269 50 0 ADAARO [NH3+][C@H]1CC=CCC1 39377342 169271197 /nfs/dbraw/zinc/27/11/97/169271197.db2.gz UUSODXRMARGLBX-LURJTMIESA-N 1 0 97.161 1.054 50 0 in-vitro ADAARO [NH3+][C@H]1CC(=O)c2cc3c(cc21)OCO3 1407060 169271226 /nfs/dbraw/zinc/27/12/26/169271226.db2.gz FRNMZNQQBWWSHK-ZETCQYMHSA-N 1 0 191.186 1.002 50 0 ADAARO [NH3+][C@H]1CCC12CCC2 20418268 169271232 /nfs/dbraw/zinc/27/12/32/169271232.db2.gz WVKSZPJMDHSJDV-LURJTMIESA-N 1 0 111.188 1.278 50 0 ADAARO [NH3+][C@H]1C=CCCC1 34566481 169271252 /nfs/dbraw/zinc/27/12/52/169271252.db2.gz ACYMGUSQXQEHGA-LURJTMIESA-N 1 0 97.161 1.054 50 0 in-vitro ADAARO [NH3+][C@H]1CCCC(F)(F)C1 51971847 169271254 /nfs/dbraw/zinc/27/12/54/169271254.db2.gz VAQNIUDWPOLHBT-YFKPBYRVSA-N 1 0 135.157 1.523 50 0 in-vitro ADAARO [NH3+][C@H]1CC(=O)Nc2ccccc21 19089959 169271255 /nfs/dbraw/zinc/27/12/55/169271255.db2.gz DLABPBKCFXRHPA-ZETCQYMHSA-N 1 0 162.192 1.029 50 0 ADAARO [NH3+][C@H]1CC=C(C(F)(F)F)CC1 108285449 169271289 /nfs/dbraw/zinc/27/12/89/169271289.db2.gz YRTQUAARSDUSBI-LURJTMIESA-N 1 0 165.158 1.986 50 0 in-vitro ADAARO [NH3+][C@H]1CCC(F)(F)C1 66351533 169271423 /nfs/dbraw/zinc/27/14/23/169271423.db2.gz QLOHXGYAULHFOG-BYPYZUCNSA-N 1 0 121.130 1.133 50 0 in-vitro ADAARO [NH3+][C@H]1CC(=O)c2ccccc21 57935299 169271443 /nfs/dbraw/zinc/27/14/43/169271443.db2.gz HNXHMCTUYDVMNC-QMMMGPOBSA-N 1 0 147.177 1.273 50 0 in-vitro ADAARO [NH3+][C@H]1CCC(=O)c2ccccc21 34140081 169271467 /nfs/dbraw/zinc/27/14/67/169271467.db2.gz ZIKUGMFMPBBBDM-VIFPVBQESA-N 1 0 161.204 1.663 50 0 ADAARO [NH3+][C@H]1CC12CCCCC2 52126082 169271643 /nfs/dbraw/zinc/27/16/43/169271643.db2.gz IMZUITKQSZISDL-ZETCQYMHSA-N 1 0 125.215 1.668 50 0 ADAARO [NH3+][C@H]1CCCC[C@@H]1Nc1cnccn1 38051046 169271729 /nfs/dbraw/zinc/27/17/29/169271729.db2.gz DXXMSZDNEOCVEE-IUCAKERBSA-N 1 0 192.266 1.158 50 0 in-vitro ADAARO [NH3+][C@H]1CCCN(c2nccs2)C1 40434256 169271779 /nfs/dbraw/zinc/27/17/79/169271779.db2.gz BGILKUDVVFXDRH-ZETCQYMHSA-N 1 0 183.280 1.071 50 0 ADAARO [NH3+][C@H]1CCCC2(CC2)C1 91305892 169271884 /nfs/dbraw/zinc/27/18/84/169271884.db2.gz YCSRHTRDWSXDFA-ZETCQYMHSA-N 1 0 125.215 1.668 50 0 ADAARO [NH3+][C@H]1CCCN(Cc2ccccc2)C1 95082140 169271899 /nfs/dbraw/zinc/27/18/99/169271899.db2.gz HARWNWOLWMTQCC-LBPRGKRZSA-N 1 0 190.290 1.610 50 0 in-vitro ADAARO [NH3+][C@H]1CCCN(Cc2cccs2)C1 20479832 169271996 /nfs/dbraw/zinc/27/19/96/169271996.db2.gz UCTGZMSIPDXPBS-VIFPVBQESA-N 1 0 196.319 1.671 50 0 in-vitro ADAARO [NH3+][C@H]1CCCC[C@@H]1F 26480871 169272001 /nfs/dbraw/zinc/27/20/01/169272001.db2.gz ZFZUTWAYBJFSIL-WDSKDSINSA-N 1 0 117.167 1.226 50 0 ADAARO [NH3+][C@H]1CCCC[C@@H]1n1cccn1 11848826 169272119 /nfs/dbraw/zinc/27/21/19/169272119.db2.gz OEDWWEUVTQJUBT-IUCAKERBSA-N 1 0 165.240 1.326 50 0 in-vitro ADAARO [NH3+][C@H]1CCCN(Cc2ccccn2)C1 31993120 169272146 /nfs/dbraw/zinc/27/21/46/169272146.db2.gz PNWFVUJFAQEPSE-JTQLQIEISA-N 1 0 191.278 1.005 50 0 ADAARO N[C@H]1CCC[N@H+](CC2CCCCC2)C1 19735496 169272265 /nfs/dbraw/zinc/27/22/65/169272265.db2.gz KHLOGZFTLJVFFC-LBPRGKRZSA-N 1 0 196.338 1.990 50 0 ADAARO [NH3+][C@H]1CCCCC1(F)F 51971844 169272270 /nfs/dbraw/zinc/27/22/70/169272270.db2.gz KATJLSLKDKAWTG-YFKPBYRVSA-N 1 0 135.157 1.523 50 0 in-vitro ADAARO [NH3+][C@H]1CCCC12CCOCC2 107399054 169272282 /nfs/dbraw/zinc/27/22/82/169272282.db2.gz BJCBSAUZQPFGII-QMMMGPOBSA-N 1 0 155.241 1.294 50 0 in-vitro ADAARO [NH3+][C@H]1CCCC(F)(F)CC1 95829127 169272330 /nfs/dbraw/zinc/27/23/30/169272330.db2.gz HTNJGRZJRRYDAY-LURJTMIESA-N 1 0 149.184 1.913 50 0 ADAARO [NH3+][C@H]1CCCN(Cc2cccnc2)C1 20479356 169272333 /nfs/dbraw/zinc/27/23/33/169272333.db2.gz OJBZNCNRSNSXCX-NSHDSACASA-N 1 0 191.278 1.005 50 0 in-vitro ADAARO [NH3+][C@H]1CCCC[C@H]1Nc1cnccn1 38051045 169272335 /nfs/dbraw/zinc/27/23/35/169272335.db2.gz DXXMSZDNEOCVEE-DTWKUNHWSA-N 1 0 192.266 1.158 50 0 in-vitro ADAARO [NH3+][C@H]1CCCC[C@H]1n1cccn1 11848828 169272339 /nfs/dbraw/zinc/27/23/39/169272339.db2.gz OEDWWEUVTQJUBT-DTWKUNHWSA-N 1 0 165.240 1.326 50 0 in-vitro ADAARO [NH3+][C@H]1CCCN(C2CCCCC2)C1=O 70061721 169272380 /nfs/dbraw/zinc/27/23/80/169272380.db2.gz USFPMJJSKRRNPR-JTQLQIEISA-N 1 0 196.294 1.269 50 0 in-vitro ADAARO [NH3+][C@H]1CCCC[C@]1(O)C(F)(F)F 68576956 169272427 /nfs/dbraw/zinc/27/24/27/169272427.db2.gz KWSACQWMYUUSMV-NTSWFWBYSA-N 1 0 183.173 1.181 50 0 ADAARO [NH3+][C@H]1CCCCCC1(F)F 88611426 169272492 /nfs/dbraw/zinc/27/24/92/169272492.db2.gz SWSFVFBQIOSZJH-LURJTMIESA-N 1 0 149.184 1.913 50 0 ADAARO N[C@H]1CCC[N@@H+](C2CCCCC2)C1 31993105 169272523 /nfs/dbraw/zinc/27/25/23/169272523.db2.gz JWKJHQNKTLGEBL-JTQLQIEISA-N 1 0 182.311 1.742 50 0 in-vitro ADAARO [NH3+][C@H]1CCCN(C(=O)C2CCCC2)C1 41028237 169272741 /nfs/dbraw/zinc/27/27/41/169272741.db2.gz HDTMVBRIEZCBDN-JTQLQIEISA-N 1 0 196.294 1.126 50 0 ADAARO [NH3+][C@H]1CCCC12CC2 82411819 169272806 /nfs/dbraw/zinc/27/28/06/169272806.db2.gz GBVPJNVSPYWXOB-LURJTMIESA-N 1 0 111.188 1.278 50 0 in-vitro ADAARO [NH3+][C@H]1CCCC[C@@]1(O)C(F)(F)F 68576958 169272830 /nfs/dbraw/zinc/27/28/30/169272830.db2.gz KWSACQWMYUUSMV-WDSKDSINSA-N 1 0 183.173 1.181 50 0 ADAARO [NH3+][C@H]1CCCC1(F)F 66351526 169272892 /nfs/dbraw/zinc/27/28/92/169272892.db2.gz JBXAZJIGJLDLEM-BYPYZUCNSA-N 1 0 121.130 1.133 50 0 in-vitro ADAARO N[C@H]1CCC[N@@H+](C2CCCC2)C1 31993093 169272949 /nfs/dbraw/zinc/27/29/49/169272949.db2.gz BPEXQYURTRYAMW-VIFPVBQESA-N 1 0 168.284 1.352 50 0 in-vitro ADAARO [NH3+][C@H]1CCCOc2c(F)cccc21 34974439 169273044 /nfs/dbraw/zinc/27/30/44/169273044.db2.gz RABQNHWEZGFKCN-VIFPVBQESA-N 1 0 181.210 1.998 50 0 in-vitro ADAARO [NH3+][C@H]1CCCO[C@@H]1c1ccncc1 98096496 169273058 /nfs/dbraw/zinc/27/30/58/169273058.db2.gz HCFJJELKYFVCQU-VHSXEESVSA-N 1 0 178.235 1.260 50 0 ADAARO [NH3+][C@H]1CCC[C@@H]1Oc1ccccc1 23067467 169273081 /nfs/dbraw/zinc/27/30/81/169273081.db2.gz WEBWXWDQSPNZHG-QWRGUYRKSA-N 1 0 177.247 1.945 50 0 in-vitro ADAARO [NH3+][C@H]1CCC[C@@]12CCCO2 95628912 169273100 /nfs/dbraw/zinc/27/31/00/169273100.db2.gz NLUJOWHCPACBPT-JGVFFNPUSA-N 1 0 141.214 1.047 50 0 ADAARO [NH3+][C@H]1CCC[C@](O)(C(F)(F)F)C1 57218924 169273143 /nfs/dbraw/zinc/27/31/43/169273143.db2.gz IJUVZQHBPFIBHU-NTSWFWBYSA-N 1 0 183.173 1.181 50 0 ADAARO [NH3+][C@H]1CCCc2ccccc2C1 5934760 169273155 /nfs/dbraw/zinc/27/31/55/169273155.db2.gz MDVRGZASGHPBAG-NSHDSACASA-N 1 0 161.248 1.893 50 0 ADAARO [NH3+][C@H]1CCCc2ccncc21 20971837 169273166 /nfs/dbraw/zinc/27/31/66/169273166.db2.gz BMARABOQKIKIRT-VIFPVBQESA-N 1 0 148.209 1.418 50 0 in-vitro ADAARO [NH3+][C@H]1CCC[C@@H](OC(F)F)C1 158851237 169273224 /nfs/dbraw/zinc/27/32/24/169273224.db2.gz USDBMIDEVGRNIN-NTSWFWBYSA-N 1 0 165.183 1.496 50 0 in-vitro ADAARO [NH3+][C@H]1CCC[C@H](OC(F)F)C1 158851515 169273247 /nfs/dbraw/zinc/27/32/47/169273247.db2.gz USDBMIDEVGRNIN-WDSKDSINSA-N 1 0 165.183 1.496 50 0 in-vitro ADAARO [NH3+][C@H]1CCC[C@@H](OCC(F)(F)F)C1 20282362 169273257 /nfs/dbraw/zinc/27/32/57/169273257.db2.gz LQYFONUESJVHHK-NKWVEPMBSA-N 1 0 197.200 1.835 50 0 ADAARO [NH3+][C@H]1CCCc2c(O)cccc21 34206218 169273260 /nfs/dbraw/zinc/27/32/60/169273260.db2.gz JGBIMURCUPHILK-VIFPVBQESA-N 1 0 163.220 1.728 50 0 in-vitro ADAARO [NH3+][C@H]1CCCc2cc(O)ccc21 34206220 169273311 /nfs/dbraw/zinc/27/33/11/169273311.db2.gz OGCNDVHUWVSJRM-JTQLQIEISA-N 1 0 163.220 1.728 50 0 ADAARO [NH3+][C@H]1CCC[C@H](C2CC2)C1 18879137 169273324 /nfs/dbraw/zinc/27/33/24/169273324.db2.gz HMQZOXXSWCKCAS-IUCAKERBSA-N 1 0 139.242 1.914 50 0 in-vitro ADAARO [NH3+][C@H]1CCCOc2cc(F)ccc21 62566853 169273329 /nfs/dbraw/zinc/27/33/29/169273329.db2.gz BJCYFFSBGOZDJK-VIFPVBQESA-N 1 0 181.210 1.998 50 0 in-vitro ADAARO [NH3+][C@H]1CCCOc2ccc(F)cc21 19408224 169273356 /nfs/dbraw/zinc/27/33/56/169273356.db2.gz HUSRDWFFGZCVCI-VIFPVBQESA-N 1 0 181.210 1.998 50 0 in-vitro ADAARO [NH3+][C@H]1CCC[C@H]1Cc1ccccn1 82398613 169273391 /nfs/dbraw/zinc/27/33/91/169273391.db2.gz IOCKHCWEKLAZAB-ONGXEEELSA-N 1 0 176.263 1.752 50 0 ADAARO [NH3+][C@H]1CCC[C@H](C(F)F)C1 95829023 169273399 /nfs/dbraw/zinc/27/33/99/169273399.db2.gz VYZHFSHPTHUYEX-WDSKDSINSA-N 1 0 149.184 1.769 50 0 ADAARO [NH3+][C@H]1CCC[C@]12CCCO2 95628914 169273432 /nfs/dbraw/zinc/27/34/32/169273432.db2.gz NLUJOWHCPACBPT-YUMQZZPRSA-N 1 0 141.214 1.047 50 0 ADAARO [NH3+][C@H]1CCC[C@H]1Oc1ccccc1 23067471 169273439 /nfs/dbraw/zinc/27/34/39/169273439.db2.gz WEBWXWDQSPNZHG-WDEREUQCSA-N 1 0 177.247 1.945 50 0 in-vitro ADAARO [NH3+][C@H]1CCC[C@@](O)(C(F)(F)F)C1 57218922 169273456 /nfs/dbraw/zinc/27/34/56/169273456.db2.gz IJUVZQHBPFIBHU-WDSKDSINSA-N 1 0 183.173 1.181 50 0 ADAARO [NH3+][C@H]1CCC[C@@H]1C(F)(F)F 68577118 169273507 /nfs/dbraw/zinc/27/35/07/169273507.db2.gz CPYZHYSCBMUTQT-WHFBIAKZSA-N 1 0 153.147 1.676 50 0 in-vitro ADAARO [NH3+][C@H]1CCC[C@@H](F)C1 88611434 169273611 /nfs/dbraw/zinc/27/36/11/169273611.db2.gz ZPZKJQKFLQCCMD-RITPCOANSA-N 1 0 117.167 1.226 50 0 ADAARO [NH3+][C@H]1CCCc2cnccc21 20971806 169273641 /nfs/dbraw/zinc/27/36/41/169273641.db2.gz YURMVGXJVVCSMU-VIFPVBQESA-N 1 0 148.209 1.418 50 0 in-vitro ADAARO [NH3+][C@H]1CCCOc2ccccc21 34612057 169273647 /nfs/dbraw/zinc/27/36/47/169273647.db2.gz QJQARXIEBJBMRM-VIFPVBQESA-N 1 0 163.220 1.859 50 0 in-vitro ADAARO [NH3+][C@H]1CCC[C@H](OCC(F)(F)F)C1 20282369 169273694 /nfs/dbraw/zinc/27/36/94/169273694.db2.gz LQYFONUESJVHHK-BQBZGAKWSA-N 1 0 197.200 1.835 50 0 ADAARO [NH3+][C@H]1CCC[C@H](F)C1 88611439 169273702 /nfs/dbraw/zinc/27/37/02/169273702.db2.gz ZPZKJQKFLQCCMD-WDSKDSINSA-N 1 0 117.167 1.226 50 0 ADAARO [NH3+][C@H]1CCC[C@@H]1Cc1ccco1 2347466 169273707 /nfs/dbraw/zinc/27/37/07/169273707.db2.gz BQCDOVRAZHBFED-SCZZXKLOSA-N 1 0 165.236 1.950 50 0 ADAARO [NH3+][C@H]1CCC[C@H]1Nc1ccccc1 148119552 169273769 /nfs/dbraw/zinc/27/37/69/169273769.db2.gz PXQWKOFRBURNCJ-WDEREUQCSA-N 1 0 176.263 1.978 50 0 ADAARO [NH3+][C@H]1CCC[C@@H]1Cc1ccccn1 82398614 169273770 /nfs/dbraw/zinc/27/37/70/169273770.db2.gz IOCKHCWEKLAZAB-KOLCDFICSA-N 1 0 176.263 1.752 50 0 ADAARO [NH3+][C@H]1CCC[C@@H](C(F)F)C1 95829024 169273786 /nfs/dbraw/zinc/27/37/86/169273786.db2.gz VYZHFSHPTHUYEX-RITPCOANSA-N 1 0 149.184 1.769 50 0 ADAARO [NH3+][C@H]1CCC[C@@H](C2CC2)C1 18879131 169273838 /nfs/dbraw/zinc/27/38/38/169273838.db2.gz HMQZOXXSWCKCAS-BDAKNGLRSA-N 1 0 139.242 1.914 50 0 in-vitro ADAARO [NH3+][C@H]1CCC[C@H]1Cc1ccco1 2347468 169273866 /nfs/dbraw/zinc/27/38/66/169273866.db2.gz BQCDOVRAZHBFED-WPRPVWTQSA-N 1 0 165.236 1.950 50 0 ADAARO [NH3+][C@H]1CCC[C@H]1C(F)(F)F 27439991 169273870 /nfs/dbraw/zinc/27/38/70/169273870.db2.gz CPYZHYSCBMUTQT-UHNVWZDZSA-N 1 0 153.147 1.676 50 0 in-vitro ADAARO [NH3+][C@H]1CCC[C@@H]1Nc1ccccc1 148119173 169273880 /nfs/dbraw/zinc/27/38/80/169273880.db2.gz PXQWKOFRBURNCJ-QWRGUYRKSA-N 1 0 176.263 1.978 50 0 ADAARO [NH3+][C@H]1CCOC2(CCCC2)C1 69853522 169274077 /nfs/dbraw/zinc/27/40/77/169274077.db2.gz PPOWVINCRQGBEG-QMMMGPOBSA-N 1 0 155.241 1.437 50 0 in-vitro ADAARO [NH3+][C@H]1CCOC2(CCC2)C1 78876449 169274109 /nfs/dbraw/zinc/27/41/09/169274109.db2.gz RMVLBZZOXGVWJU-ZETCQYMHSA-N 1 0 141.214 1.047 50 0 in-vitro ADAARO [NH3+][C@H]1CCN(Cc2cccc(F)c2)C1 22942139 169274167 /nfs/dbraw/zinc/27/41/67/169274167.db2.gz XPTSYMGOCOWONR-NSHDSACASA-N 1 0 194.253 1.359 50 0 ADAARO [NH3+][C@H]1CCN(Cc2ccccc2)C1 19230174 169274190 /nfs/dbraw/zinc/27/41/90/169274190.db2.gz HBVNLKQGRZPGRP-NSHDSACASA-N 1 0 176.263 1.220 50 0 in-vitro ADAARO [NH3+][C@H]1CCN(c2ccc(F)cc2F)C1 33427009 169274243 /nfs/dbraw/zinc/27/42/43/169274243.db2.gz SHDSNDAKQXUVAL-QMMMGPOBSA-N 1 0 198.216 1.502 50 0 in-vitro ADAARO N[C@H]1CC[N@H+](CC2CCCC2)C1 37258671 169274258 /nfs/dbraw/zinc/27/42/58/169274258.db2.gz RNXHKXQZFWIFAD-JTQLQIEISA-N 1 0 168.284 1.210 50 0 in-vitro ADAARO [NH3+][C@H]1CCO[C@@H](c2ccncc2)C1 69851172 169274308 /nfs/dbraw/zinc/27/43/08/169274308.db2.gz LWMFZAJVJWFJBV-VHSXEESVSA-N 1 0 178.235 1.260 50 0 ADAARO [NH3+][C@H]1CCO[C@H](c2ccncc2)C1 69851170 169274427 /nfs/dbraw/zinc/27/44/27/169274427.db2.gz LWMFZAJVJWFJBV-UWVGGRQHSA-N 1 0 178.235 1.260 50 0 ADAARO [NH3+][C@H]1CCO[C@@H](c2ccccc2)C1 59622757 169274437 /nfs/dbraw/zinc/27/44/37/169274437.db2.gz GAMBPQOUYCSFLZ-WDEREUQCSA-N 1 0 177.247 1.865 50 0 in-vitro ADAARO [NH3+][C@H]1CCN(Cc2ccc(F)cc2)C1 22942134 169274465 /nfs/dbraw/zinc/27/44/65/169274465.db2.gz XQBNUZCWBALDMP-NSHDSACASA-N 1 0 194.253 1.359 50 0 ADAARO [NH3+][C@H]1CCN(c2c(F)cccc2F)C1 33427005 169274495 /nfs/dbraw/zinc/27/44/95/169274495.db2.gz RTKNZDWPFZWBEU-ZETCQYMHSA-N 1 0 198.216 1.502 50 0 in-vitro ADAARO N[C@H]1CC[N@@H+](C2CCCCCC2)C1 31996489 169274518 /nfs/dbraw/zinc/27/45/18/169274518.db2.gz ZLMUBWSHTPRUSD-JTQLQIEISA-N 1 0 182.311 1.742 50 0 in-vitro ADAARO [NH3+][C@H]1CCNc2ccccc21 20972593 169274554 /nfs/dbraw/zinc/27/45/54/169274554.db2.gz UZAOPTDGCXICDB-QMMMGPOBSA-N 1 0 148.209 1.502 50 0 in-vitro ADAARO [NH3+][C@H]1CCN(c2ccccc2)C1 33426866 169274567 /nfs/dbraw/zinc/27/45/67/169274567.db2.gz SFMJIPNTKASYFH-VIFPVBQESA-N 1 0 162.236 1.224 50 0 in-vitro ADAARO [NH3+][C@H]1CCCc2ncccc21 4202813 169274609 /nfs/dbraw/zinc/27/46/09/169274609.db2.gz ZMAFTVCNAYZLGF-QMMMGPOBSA-N 1 0 148.209 1.418 50 0 in-vitro ADAARO [NH3+][C@H]1CCO[C@@H](c2cccs2)C1 83275728 169274676 /nfs/dbraw/zinc/27/46/76/169274676.db2.gz GBCJWEOHNRHUAJ-JGVFFNPUSA-N 1 0 183.276 1.927 50 0 ADAARO [NH3+][C@H]1CCOC2(CCSCC2)C1 82163983 169274685 /nfs/dbraw/zinc/27/46/85/169274685.db2.gz XXXFWZIXMSXIEE-QMMMGPOBSA-N 1 0 187.308 1.390 50 0 in-vitro ADAARO [NH3+][C@H]1CCN(Cc2ccccc2F)C1 31996510 169274760 /nfs/dbraw/zinc/27/47/60/169274760.db2.gz JYOZUVICJSUXTQ-JTQLQIEISA-N 1 0 194.253 1.359 50 0 ADAARO [NH3+][C@H]1CCO[C@H](c2cccs2)C1 240465885 169274980 /nfs/dbraw/zinc/27/49/80/169274980.db2.gz GBCJWEOHNRHUAJ-YUMQZZPRSA-N 1 0 183.276 1.927 50 0 ADAARO [NH3+][C@H]1CCN(C(=O)C2CCCCC2)C1 50228380 169274981 /nfs/dbraw/zinc/27/49/81/169274981.db2.gz FOMMHHOTNLKIKT-JTQLQIEISA-N 1 0 196.294 1.126 50 0 ADAARO [NH3+][C@H]1CCO[C@H](c2ccccc2)C1 59622754 169274991 /nfs/dbraw/zinc/27/49/91/169274991.db2.gz GAMBPQOUYCSFLZ-QWRGUYRKSA-N 1 0 177.247 1.865 50 0 in-vitro ADAARO [NH3+][C@H]1CCCc2occc21 13999057 169274994 /nfs/dbraw/zinc/27/49/94/169274994.db2.gz UDDVUZXMEMNBBT-ZETCQYMHSA-N 1 0 137.182 1.616 50 0 in-vitro ADAARO [NH3+][C@H]1CCN(c2ccc(F)cc2)C1 20441266 169275010 /nfs/dbraw/zinc/27/50/10/169275010.db2.gz XLEOGFLIBVBBLP-VIFPVBQESA-N 1 0 180.226 1.363 50 0 in-vitro ADAARO [NH3+][C@H]1CCCc2oncc21 40449125 169275064 /nfs/dbraw/zinc/27/50/64/169275064.db2.gz YBXHLDUQMNMWOM-LURJTMIESA-N 1 0 138.170 1.011 50 0 ADAARO [NH3+][C@H]1CCOC2(CCCCC2)C1 69853620 169275153 /nfs/dbraw/zinc/27/51/53/169275153.db2.gz RRJGTXDGEXVCRB-VIFPVBQESA-N 1 0 169.268 1.827 50 0 ADAARO [NH3+][C@H]1CCN(c2ccc(Cl)cc2)C1 33426887 169275174 /nfs/dbraw/zinc/27/51/74/169275174.db2.gz LNNGSZUOAZKLNA-VIFPVBQESA-N 1 0 196.681 1.877 50 0 in-vitro ADAARO N[C@H]1CC[N@H+](CC2CCCCC2)C1 34500213 169275233 /nfs/dbraw/zinc/27/52/33/169275233.db2.gz SBSSXCKDVHHANA-NSHDSACASA-N 1 0 182.311 1.600 50 0 ADAARO [NH3+][C@H]1CCOc2c(F)ccc(F)c21 70819620 169275252 /nfs/dbraw/zinc/27/52/52/169275252.db2.gz ONHGXVMUVYBWQO-ZETCQYMHSA-N 1 0 185.173 1.747 50 0 ADAARO [NH3+][C@H]1CCN(c2ccccc2Cl)C1 33427001 169275269 /nfs/dbraw/zinc/27/52/69/169275269.db2.gz KFHKUCKYAJKAMY-QMMMGPOBSA-N 1 0 196.681 1.877 50 0 in-vitro ADAARO N[C@H]1CC[N@@H+](C2CCCCC2)C1 20160412 169275276 /nfs/dbraw/zinc/27/52/76/169275276.db2.gz DPEPZAJVZHRORQ-VIFPVBQESA-N 1 0 168.284 1.352 50 0 in-vitro ADAARO [NH3+][C@H]1CCN(c2cccc(Cl)c2)C1 33426885 169275282 /nfs/dbraw/zinc/27/52/82/169275282.db2.gz GWDPWSOIMSXLGX-VIFPVBQESA-N 1 0 196.681 1.877 50 0 ADAARO [NH3+][C@H]1CCOc2c(F)cccc21 16082970 169275354 /nfs/dbraw/zinc/27/53/54/169275354.db2.gz HXACNHXAKSMYNU-QMMMGPOBSA-N 1 0 167.183 1.608 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2ccc(O)cc2C1 13759807 169275482 /nfs/dbraw/zinc/27/54/82/169275482.db2.gz VIYAPIMIOKKYNF-VIFPVBQESA-N 1 0 163.220 1.208 50 0 in-vitro ADAARO [NH3+][C@H]1CC[C@@H](Nc2ccccn2)CC1 238689585 169275496 /nfs/dbraw/zinc/27/54/96/169275496.db2.gz QQJKATBTUNOFBF-MGCOHNPYSA-N 1 0 191.278 1.763 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2ccc(F)cc21 20209 169275521 /nfs/dbraw/zinc/27/55/21/169275521.db2.gz KZXWOWJBKSZXAL-VIFPVBQESA-N 1 0 151.184 1.772 50 0 in-vitro ADAARO [NH3+][C@H]1CCSC2(CCC2)C1 82405805 169275531 /nfs/dbraw/zinc/27/55/31/169275531.db2.gz WVJNAAVQVVVXPE-ZETCQYMHSA-N 1 0 157.282 1.763 50 0 ADAARO [NH3+][C@H]1CCc2ccc(F)cc2C1 39088208 169275573 /nfs/dbraw/zinc/27/55/73/169275573.db2.gz WWEGVSHNWGNDIX-JTQLQIEISA-N 1 0 165.211 1.642 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2ccccc2C1=O 53224468 169275579 /nfs/dbraw/zinc/27/55/79/169275579.db2.gz MUGWUYGVUZLWRB-VIFPVBQESA-N 1 0 161.204 1.143 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2ccccc21 1484813 169275612 /nfs/dbraw/zinc/27/56/12/169275612.db2.gz XJEVHMGJSYVQBQ-VIFPVBQESA-N 1 0 133.194 1.633 50 0 in-vitro ADAARO [NH3+][C@H]1CC[C@@H]1C1CC1 87935583 169275631 /nfs/dbraw/zinc/27/56/31/169275631.db2.gz KXPVVIGIQFYGPL-RQJHMYQMSA-N 1 0 111.188 1.134 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2cccc(F)c2NC1=O 36533738 169275659 /nfs/dbraw/zinc/27/56/59/169275659.db2.gz XFQSXISBXFUHEE-QMMMGPOBSA-N 1 0 194.209 1.038 50 0 ADAARO [NH3+][C@H]1CCc2cc(F)cc(F)c21 88187479 169275706 /nfs/dbraw/zinc/27/57/06/169275706.db2.gz WFNMSZYZLUAEER-QMMMGPOBSA-N 1 0 169.174 1.911 50 0 in-vitro ADAARO [NH3+][C@H]1CC[C@H](OC(F)F)C1 158850953 169275709 /nfs/dbraw/zinc/27/57/09/169275709.db2.gz BSKXSHHPXOUPLU-WHFBIAKZSA-N 1 0 151.156 1.105 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2ccccc2C1 5934789 169275719 /nfs/dbraw/zinc/27/57/19/169275719.db2.gz LCGFVWKNXLRFIF-JTQLQIEISA-N 1 0 147.221 1.503 50 0 in-vivo ADAARO [NH3+][C@H]1CC[C@H]1C1CCC1 161660582 169275732 /nfs/dbraw/zinc/27/57/32/169275732.db2.gz FCDCYVAHYWSBAR-YUMQZZPRSA-N 1 0 125.215 1.524 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2ccc(O)cc21 2540020 169275739 /nfs/dbraw/zinc/27/57/39/169275739.db2.gz MOUPGBDOLGDVNW-VIFPVBQESA-N 1 0 149.193 1.338 50 0 in-vitro ADAARO [NH3+][C@H]1CCOc2cc3c(cc21)OCO3 36928653 169275743 /nfs/dbraw/zinc/27/57/43/169275743.db2.gz WVDGCAFJUJGSGF-ZETCQYMHSA-N 1 0 193.202 1.198 50 0 ADAARO [NH3+][C@H]1CCc2cc(F)ccc21 19810470 169275752 /nfs/dbraw/zinc/27/57/52/169275752.db2.gz POTIEZMRLKEJOZ-VIFPVBQESA-N 1 0 151.184 1.772 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2c([nH]c3ccccc23)C1 82392119 169275753 /nfs/dbraw/zinc/27/57/53/169275753.db2.gz DEBNIKRHYDWHIG-QMMMGPOBSA-N 1 0 186.258 1.984 50 0 in-vitro ADAARO [NH3+][C@H]1CCOc2cc(F)c(F)cc21 95638868 169275756 /nfs/dbraw/zinc/27/57/56/169275756.db2.gz GOQOIXARHKVMLS-QMMMGPOBSA-N 1 0 185.173 1.747 50 0 ADAARO [NH3+][C@H]1CC[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]12 39048435 169275791 /nfs/dbraw/zinc/27/57/91/169275791.db2.gz WCRTWLIRFMUYJI-KGDYZURWSA-N 1 0 149.237 1.546 50 0 ADAARO [NH3+][C@H]1CC[C@@H](OC(F)F)C1 158851106 169275870 /nfs/dbraw/zinc/27/58/70/169275870.db2.gz BSKXSHHPXOUPLU-CRCLSJGQSA-N 1 0 151.156 1.105 50 0 in-vitro ADAARO [NH3+][C@H]1CCOc2cc(F)cc(F)c21 54931967 169275876 /nfs/dbraw/zinc/27/58/76/169275876.db2.gz ZJGYMNXLPZADME-ZETCQYMHSA-N 1 0 185.173 1.747 50 0 ADAARO [NH3+][C@H]1CC[C@@H]1OCc1ccccc1 90569296 169275897 /nfs/dbraw/zinc/27/58/97/169275897.db2.gz PWZQZJTVISDNTA-QWRGUYRKSA-N 1 0 177.247 1.693 50 0 ADAARO [NH3+][C@H]1CCc2[nH]c3ccccc3c2C1 39214014 169275907 /nfs/dbraw/zinc/27/59/07/169275907.db2.gz UFRCIKMHUAOIAT-QMMMGPOBSA-N 1 0 186.258 1.984 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2cc(O)cc(F)c21 211710695 169275913 /nfs/dbraw/zinc/27/59/13/169275913.db2.gz NRXRCMFFBMSROQ-QMMMGPOBSA-N 1 0 167.183 1.477 50 0 ADAARO [NH3+][C@H]1CCc2c(F)ccc(F)c21 42405113 169275917 /nfs/dbraw/zinc/27/59/17/169275917.db2.gz MREJFNFNYNZXOJ-QMMMGPOBSA-N 1 0 169.174 1.911 50 0 ADAARO [NH3+][C@H]1CCOc2ccccc21 3899146 169275921 /nfs/dbraw/zinc/27/59/21/169275921.db2.gz LCOFMNJNNXWKOC-QMMMGPOBSA-N 1 0 149.193 1.469 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2c(O)cccc21 19511934 169275947 /nfs/dbraw/zinc/27/59/47/169275947.db2.gz GWFKPABLUSNUAP-QMMMGPOBSA-N 1 0 149.193 1.338 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2c(F)cccc21 8699611 169275972 /nfs/dbraw/zinc/27/59/72/169275972.db2.gz SIIMRBDZNUKOAC-VIFPVBQESA-N 1 0 151.184 1.772 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2cc(F)c(F)cc21 95642283 169276024 /nfs/dbraw/zinc/27/60/24/169276024.db2.gz UUVNJMGXPIYWEI-VIFPVBQESA-N 1 0 169.174 1.911 50 0 ADAARO [NH3+][C@H]1CC[C@H]1C1CC1 87935582 169276028 /nfs/dbraw/zinc/27/60/28/169276028.db2.gz KXPVVIGIQFYGPL-BQBZGAKWSA-N 1 0 111.188 1.134 50 0 in-vitro ADAARO [NH3+][C@H]1CC[C@@H](O)c2ccccc21 59946911 169276032 /nfs/dbraw/zinc/27/60/32/169276032.db2.gz PYNGJNRUPBSSJG-VHSXEESVSA-N 1 0 163.220 1.514 50 0 ADAARO [NH3+][C@H]1CC[C@@H](Nc2cnccn2)CC1 238689623 169276040 /nfs/dbraw/zinc/27/60/40/169276040.db2.gz XSHQEZZWGKINSU-KYZUINATSA-N 1 0 192.266 1.158 50 0 ADAARO [NH3+][C@H]1CC[C@@H]1c1ccccc1 68575779 169276074 /nfs/dbraw/zinc/27/60/74/169276074.db2.gz PKMQLQANCCIABY-ZJUUUORDSA-N 1 0 147.221 1.891 50 0 in-vitro ADAARO [NH3+][C@H]1CCOc2ccc(F)cc21 16082988 169276082 /nfs/dbraw/zinc/27/60/82/169276082.db2.gz WVQYSVLMDHXHOV-QMMMGPOBSA-N 1 0 167.183 1.608 50 0 in-vitro ADAARO [NH3+][C@H]1CC[C@@H]1C1CCC1 161660685 169276145 /nfs/dbraw/zinc/27/61/45/169276145.db2.gz FCDCYVAHYWSBAR-SFYZADRCSA-N 1 0 125.215 1.524 50 0 in-vitro ADAARO [NH3+][C@H]1CCOc2c1ccc(F)c2F 62611246 169276174 /nfs/dbraw/zinc/27/61/74/169276174.db2.gz RWFFMOBPPRECAW-ZETCQYMHSA-N 1 0 185.173 1.747 50 0 ADAARO [NH3+][C@H]1CCc2c(F)cc(F)cc21 8699614 169276185 /nfs/dbraw/zinc/27/61/85/169276185.db2.gz PMEWWUGTAKIVBC-VIFPVBQESA-N 1 0 169.174 1.911 50 0 ADAARO [NH3+][C@H]1CC[C@H]1c1ccccc1 68575777 169276192 /nfs/dbraw/zinc/27/61/92/169276192.db2.gz PKMQLQANCCIABY-UWVGGRQHSA-N 1 0 147.221 1.891 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2cc(O)ccc2C1 27549885 169276195 /nfs/dbraw/zinc/27/61/95/169276195.db2.gz QXGFZXONNHGLNR-VIFPVBQESA-N 1 0 163.220 1.208 50 0 ADAARO [NH3+][C@H]1CCc2ccc(F)c(F)c21 115344501 169276222 /nfs/dbraw/zinc/27/62/22/169276222.db2.gz DAURVHMJENUGCM-ZETCQYMHSA-N 1 0 169.174 1.911 50 0 ADAARO [NH3+][C@H]1CC[C@@](O)(C(F)(F)F)CC1 103539158 169276236 /nfs/dbraw/zinc/27/62/36/169276236.db2.gz XQZKKRXYSBWMAL-IZLXSQMJSA-N 1 0 183.173 1.181 50 0 ADAARO [NH3+][C@H]1CCOc2ccccc2C1 34474996 169276282 /nfs/dbraw/zinc/27/62/82/169276282.db2.gz AMRNYXTUAFFTDT-VIFPVBQESA-N 1 0 163.220 1.339 50 0 ADAARO [NH3+][C@H]1CC[C@@H](NC(=O)C2CCC2)CC1 238689220 169276355 /nfs/dbraw/zinc/27/63/55/169276355.db2.gz LRTPEVHCNZAXAW-MGCOHNPYSA-N 1 0 196.294 1.173 50 0 ADAARO [NH3+][C@H]1CC[C@@H](Nc2ncccn2)CC1 238689709 169276450 /nfs/dbraw/zinc/27/64/50/169276450.db2.gz ZRWOFMJRFALELU-KYZUINATSA-N 1 0 192.266 1.158 50 0 ADAARO [NH3+][C@H]1CCOc2cc(F)ccc21 64034154 169276461 /nfs/dbraw/zinc/27/64/61/169276461.db2.gz UMQCCSDLCJERPE-QMMMGPOBSA-N 1 0 167.183 1.608 50 0 in-vitro ADAARO [NH3+][C@H]1CC[C@H]1OCc1ccccc1 38974675 169276465 /nfs/dbraw/zinc/27/64/65/169276465.db2.gz PWZQZJTVISDNTA-WDEREUQCSA-N 1 0 177.247 1.693 50 0 ADAARO [NH3+][C@H]1COc2ccccc21 8699618 169276521 /nfs/dbraw/zinc/27/65/21/169276521.db2.gz PLCGAGSBVAGXMP-ZETCQYMHSA-N 1 0 135.166 1.079 50 0 in-vitro ADAARO [NH3+][C@H]1COCO[C@H]1c1ccccc1 34108668 169276537 /nfs/dbraw/zinc/27/65/37/169276537.db2.gz KNURWXWPWSONGI-UWVGGRQHSA-N 1 0 179.219 1.059 50 0 ADAARO [NH3+][C@H]1COc2c(F)ccc(F)c21 70819643 169276571 /nfs/dbraw/zinc/27/65/71/169276571.db2.gz FHKKPRNYQUCGMH-LURJTMIESA-N 1 0 171.146 1.357 50 0 ADAARO [NH3+][C@H]1COC2(CCCCC2)C1 12343536 169276635 /nfs/dbraw/zinc/27/66/35/169276635.db2.gz PSIITUUECNJZIB-MRVPVSSYSA-N 1 0 155.241 1.437 50 0 ADAARO [NH3+][C@H]1COc2ccc(Cl)cc21 8699620 169276645 /nfs/dbraw/zinc/27/66/45/169276645.db2.gz YAWYQNCCQCICHI-ZETCQYMHSA-N 1 0 169.611 1.732 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2cccnc21 25920683 169276682 /nfs/dbraw/zinc/27/66/82/169276682.db2.gz VUJXLKVRHHCKDR-ZETCQYMHSA-N 1 0 134.182 1.028 50 0 ADAARO [NH3+][C@H]1CSc2ccccc21 35761841 169276702 /nfs/dbraw/zinc/27/67/02/169276702.db2.gz DNIHSQRMUDUEQZ-ZETCQYMHSA-N 1 0 151.234 1.792 50 0 ADAARO [NH3+][C@H]1COCc2ccccc21 20972013 169276726 /nfs/dbraw/zinc/27/67/26/169276726.db2.gz BDYWBOBBXXDXHU-VIFPVBQESA-N 1 0 149.193 1.217 50 0 in-vitro ADAARO [NH3+][C@H]1COc2cc(Cl)ccc2C1 33823876 169276780 /nfs/dbraw/zinc/27/67/80/169276780.db2.gz SFCGCBIKHFWQOV-MRVPVSSYSA-N 1 0 183.638 1.602 50 0 ADAARO [NH3+][C@H]1COc2cc(F)ccc2C1 82852631 169276786 /nfs/dbraw/zinc/27/67/86/169276786.db2.gz OJCOGPPOMGBPKF-MRVPVSSYSA-N 1 0 167.183 1.088 50 0 in-vitro ADAARO [NH3+][C@H]1COc2ccc(F)cc21 8699622 169276795 /nfs/dbraw/zinc/27/67/95/169276795.db2.gz YSCBVVODVORHGP-ZETCQYMHSA-N 1 0 153.156 1.218 50 0 in-vitro ADAARO [NH3+][C@H]1COCO[C@@H]1c1ccccc1 34108666 169276821 /nfs/dbraw/zinc/27/68/21/169276821.db2.gz KNURWXWPWSONGI-VHSXEESVSA-N 1 0 179.219 1.059 50 0 ADAARO [NH3+][C@H]1COC2(CCCC2)C1 12343533 169276827 /nfs/dbraw/zinc/27/68/27/169276827.db2.gz LTYSMVXAJZQBNP-SSDOTTSWSA-N 1 0 141.214 1.047 50 0 in-vitro ADAARO [NH3+][C@H]1CSCc2ccccc21 30678339 169276866 /nfs/dbraw/zinc/27/68/66/169276866.db2.gz KXDJNGZVNLZVDB-VIFPVBQESA-N 1 0 165.261 1.933 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2sccc21 19727511 169276904 /nfs/dbraw/zinc/27/69/04/169276904.db2.gz IVLUVSDYAOCOJQ-LURJTMIESA-N 1 0 139.223 1.694 50 0 ADAARO [NH3+][C@H]1CCc2ncccc21 25920499 169276952 /nfs/dbraw/zinc/27/69/52/169276952.db2.gz BUJYYGHIOAAFOO-ZETCQYMHSA-N 1 0 134.182 1.028 50 0 in-vitro ADAARO [NH3+][C@H]1COc2cc(Cl)ccc21 82703983 169277083 /nfs/dbraw/zinc/27/70/83/169277083.db2.gz PGCHRYGLCNSOGH-ZETCQYMHSA-N 1 0 169.611 1.732 50 0 in-vitro ADAARO [NH3+][C@H]1COc2c(Cl)cccc21 8699629 169277107 /nfs/dbraw/zinc/27/71/07/169277107.db2.gz JMNUJABIUFDNFZ-ZETCQYMHSA-N 1 0 169.611 1.732 50 0 in-vitro ADAARO [NH3+][C@H]1COc2c(Cl)cccc2C1 16083002 169277129 /nfs/dbraw/zinc/27/71/29/169277129.db2.gz GUOKZIYMFPPBPX-SSDOTTSWSA-N 1 0 183.638 1.602 50 0 ADAARO [NH3+][C@H]1COc2cc(F)cc(F)c21 54931990 169277157 /nfs/dbraw/zinc/27/71/57/169277157.db2.gz WFBUASGHSSOTLV-LURJTMIESA-N 1 0 171.146 1.357 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2ccccc2OC1 34462644 169277183 /nfs/dbraw/zinc/27/71/83/169277183.db2.gz ZXCBMTVJPMHQBK-VIFPVBQESA-N 1 0 163.220 1.339 50 0 ADAARO [NH3+][C@H]1CSc2ccccc2C1 2599307 169277218 /nfs/dbraw/zinc/27/72/18/169277218.db2.gz HMJPRXLPAGOYFX-MRVPVSSYSA-N 1 0 165.261 1.662 50 0 in-vitro ADAARO [NH3+][C@H]1COc2c(F)cc(F)cc2C1 16083044 169277253 /nfs/dbraw/zinc/27/72/53/169277253.db2.gz XESORRKVRNORPM-SSDOTTSWSA-N 1 0 185.173 1.227 50 0 in-vitro ADAARO [NH3+][C@H]1CCc2sccc2C1=O 38981938 169277263 /nfs/dbraw/zinc/27/72/63/169277263.db2.gz JGXCDNBDDWMYFQ-LURJTMIESA-N 1 0 167.233 1.204 50 0 ADAARO [NH3+][C@H]1COc2cccc(Cl)c21 91691795 169277391 /nfs/dbraw/zinc/27/73/91/169277391.db2.gz JQGZTFSBYXGAEC-LURJTMIESA-N 1 0 169.611 1.732 50 0 in-vitro ADAARO [NH3+][C@H]1COc2ccc(F)cc2C1 16083024 169277408 /nfs/dbraw/zinc/27/74/08/169277408.db2.gz LETPIFPZROEKBV-MRVPVSSYSA-N 1 0 167.183 1.088 50 0 in-vitro ADAARO [NH3+][C@H]1COc2cccc(F)c21 75882302 169277443 /nfs/dbraw/zinc/27/74/43/169277443.db2.gz AQQJRPFPRCBKNR-LURJTMIESA-N 1 0 153.156 1.218 50 0 in-vitro ADAARO [NH3+][C@H]1COc2c(F)cccc21 8699631 169277472 /nfs/dbraw/zinc/27/74/72/169277472.db2.gz RMYMQTQTLUJTIX-ZETCQYMHSA-N 1 0 153.156 1.218 50 0 ADAARO [NH3+][C@H]1CCc2nc3c(n2C1)CCCC3 70626515 169277493 /nfs/dbraw/zinc/27/74/93/169277493.db2.gz NZYXMKZZJQFJTJ-QMMMGPOBSA-N 1 0 191.278 1.035 50 0 in-vitro ADAARO [NH3+][C@H]1COc2cc(F)ccc21 75882303 169277587 /nfs/dbraw/zinc/27/75/87/169277587.db2.gz VPNZYZSGRZXDBR-ZETCQYMHSA-N 1 0 153.156 1.218 50 0 ADAARO [NH3+][C@H]1C[C@@H]1c1cnn(-c2ccccc2)c1 37381394 169277808 /nfs/dbraw/zinc/27/78/08/169277808.db2.gz HFQNYSSJDMKGOT-NEPJUHHUSA-N 1 0 199.257 1.687 50 0 ADAARO [NH3+][C@H]1C[C@@H]2CC[C@H]1C2 2534417 169277832 /nfs/dbraw/zinc/27/78/32/169277832.db2.gz JEPPYVOSGKWVSJ-VQVTYTSYSA-N 1 0 111.188 1.134 50 0 ADAARO [NH3+][C@H]1C[C@@H]1c1cccc(F)c1 34075534 169277935 /nfs/dbraw/zinc/27/79/35/169277935.db2.gz OXGGARNLAOPVNV-BDAKNGLRSA-N 1 0 151.184 1.640 50 0 ADAARO [NH3+][C@H]1C[C@@H]1c1ccc(F)cc1F 37381457 169277952 /nfs/dbraw/zinc/27/79/52/169277952.db2.gz VGOOBWCLQZIMCR-APPZFPTMSA-N 1 0 169.174 1.779 50 0 ADAARO [NH3+][C@H]1C[C@@H]1c1ccccc1 896663 169277968 /nfs/dbraw/zinc/27/79/68/169277968.db2.gz AELCINSCMGFISI-BDAKNGLRSA-N 1 0 133.194 1.501 50 0 fda ADAARO [NH3+][C@H]1C[C@@H](c2ccccc2)C1 103539963 169277975 /nfs/dbraw/zinc/27/79/75/169277975.db2.gz VJXKVDLXKYYYBX-MGCOHNPYSA-N 1 0 147.221 1.891 50 0 ADAARO [NH3+][C@H]1C[C@@H]2CC[C@@H]2C1 251411640 169278050 /nfs/dbraw/zinc/27/80/50/169278050.db2.gz RCJIJEPMHWIWEU-KVSKUHBBSA-N 1 0 111.188 1.134 50 0 ADAARO [NH3+][C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 62720184 169278057 /nfs/dbraw/zinc/27/80/57/169278057.db2.gz WLHMNWIKAFDIJR-XRGYYRRGSA-N 1 0 187.164 1.919 50 0 ADAARO [NH3+][C@H]1C[C@@]12CCc1ccccc12 52126244 169278085 /nfs/dbraw/zinc/27/80/85/169278085.db2.gz SGGAHRNIDLQRJU-WDEREUQCSA-N 1 0 159.232 1.602 50 0 ADAARO [NH3+][C@H]1C[C@@H]1c1ccnn1-c1ccccc1 263619748 169278098 /nfs/dbraw/zinc/27/80/98/169278098.db2.gz ULUNAKUGKIQXAL-QWRGUYRKSA-N 1 0 199.257 1.687 50 0 ADAARO [NH3+][C@H]1C[C@H](c2ccccc2)C1 103540928 169278127 /nfs/dbraw/zinc/27/81/27/169278127.db2.gz VJXKVDLXKYYYBX-AOOOYVTPSA-N 1 0 147.221 1.891 50 0 in-vitro ADAARO [NH3+][C@H]1C[C@@H]1c1ccc(O)cc1 32169160 169278242 /nfs/dbraw/zinc/27/82/42/169278242.db2.gz HADIWKXZWHXEDX-BDAKNGLRSA-N 1 0 149.193 1.207 50 0 ADAARO [NH3+][C@H]1C[C@H](OCc2ccccc2)C1 100089537 169278243 /nfs/dbraw/zinc/27/82/43/169278243.db2.gz GYSQDBGCDZWPMQ-PHIMTYICSA-N 1 0 177.247 1.693 50 0 in-vitro ADAARO [NH3+][C@H]1C[C@H](Oc2ccnc(F)c2)C1 253496108 169278255 /nfs/dbraw/zinc/27/82/55/169278255.db2.gz FRQIMCXOUHEASE-FKQCQYRASA-N 1 0 182.198 1.089 50 0 ADAARO [NH3+][C@H]1C[C@@H]1C1CCCCC1 13538132 169278268 /nfs/dbraw/zinc/27/82/68/169278268.db2.gz ONVVLKQGFMQYMT-BDAKNGLRSA-N 1 0 139.242 1.914 50 0 ADAARO [NH3+][C@H]1C[C@@H]1c1ccc(F)c(F)c1 37381285 169278656 /nfs/dbraw/zinc/27/86/56/169278656.db2.gz QVUBIQNXHRPJKK-MUWHJKNJSA-N 1 0 169.174 1.779 50 0 in-vitro ADAARO [NH3+][C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 32008350 169278676 /nfs/dbraw/zinc/27/86/76/169278676.db2.gz GSPFKVFDDIWQHT-BDAKNGLRSA-N 1 0 191.230 1.272 50 0 in-vitro ADAARO [NH3+][C@H]1C[C@@H]1c1ccc(F)cc1 32005669 169278708 /nfs/dbraw/zinc/27/87/08/169278708.db2.gz GTYFDGYGRFJTKJ-BDAKNGLRSA-N 1 0 151.184 1.640 50 0 in-vitro ADAARO [NH3+][C@H]1C[C@@H]1C1CCCC1 51690488 169278782 /nfs/dbraw/zinc/27/87/82/169278782.db2.gz ICVLGQPTZAJNFJ-SFYZADRCSA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+][C@H]1C[C@@]1(F)c1ccccc1 13559955 169278803 /nfs/dbraw/zinc/27/88/03/169278803.db2.gz UJTQURLMCYMANH-DTWKUNHWSA-N 1 0 151.184 1.582 50 0 in-vivo ADAARO [NH3+][C@H]1C[C@@H](OCc2ccccc2)C1 100089527 169278826 /nfs/dbraw/zinc/27/88/26/169278826.db2.gz GYSQDBGCDZWPMQ-XYPYZODXSA-N 1 0 177.247 1.693 50 0 ADAARO [NH3+][C@H]1C[C@H]2CCC[C@@](O)(C1)C2 217619458 169278892 /nfs/dbraw/zinc/27/88/92/169278892.db2.gz XLDHKXYUHLQDDJ-VGMNWLOBSA-N 1 0 155.241 1.029 50 0 ADAARO [NH3+][C@H]1C[C@]12CCc1ccccc12 52126245 169278935 /nfs/dbraw/zinc/27/89/35/169278935.db2.gz SGGAHRNIDLQRJU-QWRGUYRKSA-N 1 0 159.232 1.602 50 0 ADAARO [NH3+][C@H]1C[C@H]1c1ccc(O)cc1 32169162 169278943 /nfs/dbraw/zinc/27/89/43/169278943.db2.gz HADIWKXZWHXEDX-IUCAKERBSA-N 1 0 149.193 1.207 50 0 ADAARO [NH3+][C@H]1Cc2ccc(Cl)cc2C1 60071407 169279260 /nfs/dbraw/zinc/27/92/60/169279260.db2.gz KBMVAIAEDLKXCX-VIFPVBQESA-N 1 0 167.639 1.766 50 0 in-vitro ADAARO [NH3+][C@H]1C[C@H]1c1cnn(-c2ccccc2)c1 37381392 169279374 /nfs/dbraw/zinc/27/93/74/169279374.db2.gz HFQNYSSJDMKGOT-RYUDHWBXSA-N 1 0 199.257 1.687 50 0 ADAARO [NH3+][C@H]1C[C@H]1c1ccc(F)cc1 32005674 169279403 /nfs/dbraw/zinc/27/94/03/169279403.db2.gz GTYFDGYGRFJTKJ-IUCAKERBSA-N 1 0 151.184 1.640 50 0 in-vitro ADAARO [NH3+][C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 62720181 169279537 /nfs/dbraw/zinc/27/95/37/169279537.db2.gz WLHMNWIKAFDIJR-XNCJUZBTSA-N 1 0 187.164 1.919 50 0 ADAARO [NH3+][C@H]1C[C@H]1c1ccnn1-c1ccccc1 263619747 169279748 /nfs/dbraw/zinc/27/97/48/169279748.db2.gz ULUNAKUGKIQXAL-MNOVXSKESA-N 1 0 199.257 1.687 50 0 ADAARO [NH3+][C@H]1C[C@H]1c1ccccc1 896666 169279800 /nfs/dbraw/zinc/27/98/00/169279800.db2.gz AELCINSCMGFISI-IUCAKERBSA-N 1 0 133.194 1.501 50 0 fda ADAARO [NH3+][C@H]1C[C@H]1c1ccc(F)c(F)c1 37381282 169279805 /nfs/dbraw/zinc/27/98/05/169279805.db2.gz QVUBIQNXHRPJKK-RCOVLWMOSA-N 1 0 169.174 1.779 50 0 ADAARO [NH3+][C@H]1C[C@H]1c1cccc(F)c1 34075533 169279876 /nfs/dbraw/zinc/27/98/76/169279876.db2.gz OXGGARNLAOPVNV-IUCAKERBSA-N 1 0 151.184 1.640 50 0 in-vitro ADAARO [NH3+][C@H]1Cc2ccccc21 4273537 169279895 /nfs/dbraw/zinc/27/98/95/169279895.db2.gz OVLLQUKHPTXIBH-QMMMGPOBSA-N 1 0 119.167 1.243 50 0 ADAARO [NH3+][C@H]1Cc2cc(Cl)ccc2NC1=O 34368789 169279916 /nfs/dbraw/zinc/27/99/16/169279916.db2.gz OQKMOCCCXJFWLP-ZETCQYMHSA-N 1 0 196.637 1.162 50 0 ADAARO [NH3+][C@H]1C[C@H]1C1CCCCC1 13538138 169279944 /nfs/dbraw/zinc/27/99/44/169279944.db2.gz ONVVLKQGFMQYMT-IUCAKERBSA-N 1 0 139.242 1.914 50 0 ADAARO [NH3+][C@H]1C[C@H]1C1CCCC1 51690487 169279945 /nfs/dbraw/zinc/27/99/45/169279945.db2.gz ICVLGQPTZAJNFJ-YUMQZZPRSA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+][C@H]1C[C@H]1c1ccc(F)cc1F 37381456 169279995 /nfs/dbraw/zinc/27/99/95/169279995.db2.gz VGOOBWCLQZIMCR-CBAPKCEASA-N 1 0 169.174 1.779 50 0 ADAARO [NH3+][C@H]1C[C@H]1c1ccc2c(c1)OCCO2 32008353 169279997 /nfs/dbraw/zinc/27/99/97/169279997.db2.gz GSPFKVFDDIWQHT-IUCAKERBSA-N 1 0 191.230 1.272 50 0 in-vitro ADAARO [NH3+][C@H]1Cc2ccc(Cl)cc2NC1=O 35269898 169280029 /nfs/dbraw/zinc/28/00/29/169280029.db2.gz JFSYTKHSFPNCAO-ZETCQYMHSA-N 1 0 196.637 1.162 50 0 in-vitro ADAARO [NH3+][C@H]1Cc2cccc(F)c2C1 39088459 169280033 /nfs/dbraw/zinc/28/00/33/169280033.db2.gz FJAYLUFWDPGQSK-ZETCQYMHSA-N 1 0 151.184 1.252 50 0 ADAARO [NH3+][C@H]1C[C@]1(F)c1ccccc1 13559954 169280037 /nfs/dbraw/zinc/28/00/37/169280037.db2.gz UJTQURLMCYMANH-IUCAKERBSA-N 1 0 151.184 1.582 50 0 in-vivo ADAARO [NH3+][C@H]1Cc2ccc(F)cc2C1 40448816 169280133 /nfs/dbraw/zinc/28/01/33/169280133.db2.gz VAAFFDVGGMHGHW-VIFPVBQESA-N 1 0 151.184 1.252 50 0 ADAARO [NH3+][C@H]1Cc2[nH]c3ccccc3c2C1 66339894 169280138 /nfs/dbraw/zinc/28/01/38/169280138.db2.gz FKWRARFTNIXGCG-SSDOTTSWSA-N 1 0 172.231 1.594 50 0 ADAARO [NH3+][C@H]1c2ccccc2CC[C@@H]1CO 82917982 169280355 /nfs/dbraw/zinc/28/03/55/169280355.db2.gz KERFCYXXJGLLMP-MWLCHTKSSA-N 1 0 177.247 1.241 50 0 in-vitro ADAARO [NH3+][C@]1(CO)CCCc2ccccc21 38124640 169280572 /nfs/dbraw/zinc/28/05/72/169280572.db2.gz IYEBNYLABGDEEP-NSHDSACASA-N 1 0 177.247 1.169 50 0 in-vitro ADAARO [NH3+][C@H]1c2ccccc2C[C@H]1F 80026968 169280912 /nfs/dbraw/zinc/28/09/12/169280912.db2.gz MPZMJRRSNZFFKP-BDAKNGLRSA-N 1 0 151.184 1.581 50 0 in-vitro ADAARO [NH3+][C@H]1c2ccccc2CC[C@H]1CO 82917983 169281369 /nfs/dbraw/zinc/28/13/69/169281369.db2.gz KERFCYXXJGLLMP-GXSJLCMTSA-N 1 0 177.247 1.241 50 0 in-vitro ADAARO [NH3+][C@]12C[C@@H]3C[C@H]1C[C@@H](C3)C2 100245579 169282109 /nfs/dbraw/zinc/28/21/09/169282109.db2.gz NGGRFWRIBLQVEP-WKALFLHCSA-N 1 0 137.226 1.524 50 0 ADAARO [NH3+][C@]12C[C@H]1CN(Cc1ccccc1)C2 34724706 169282190 /nfs/dbraw/zinc/28/21/90/169282190.db2.gz PQUOTRWVYDFMHN-RYUDHWBXSA-N 1 0 188.274 1.220 50 0 ADAARO Nc1c2c([nH+]c3c1CCC3)CCC2 19015112 169283429 /nfs/dbraw/zinc/28/34/29/169283429.db2.gz GCDWZOSVQXZKLZ-UHFFFAOYSA-N 1 0 174.247 1.641 50 0 ADAARO Nc1c[nH]c2cc[nH+]cc12 95929382 169284230 /nfs/dbraw/zinc/28/42/30/169284230.db2.gz PVXULIOPYOMGME-UHFFFAOYSA-N 1 0 133.154 1.145 50 0 in-vitro ADAARO Nc1cc(Br)cc(N)[nH+]1 19851313 169284642 /nfs/dbraw/zinc/28/46/42/169284642.db2.gz KXHPZYVKCDTIHE-UHFFFAOYSA-N 1 0 188.028 1.009 50 0 in-vitro ADAARO Nc1cc(C2CC[NH2+]CC2)ccn1 44122006 169284677 /nfs/dbraw/zinc/28/46/77/169284677.db2.gz GHSMUAABTWCKTQ-UHFFFAOYSA-N 1 0 177.251 1.131 50 0 ADAARO Nc1cc(N)c(C(F)(F)F)c[nH+]1 95709558 169286746 /nfs/dbraw/zinc/28/67/46/169286746.db2.gz KEPCTJVUGOXJEE-UHFFFAOYSA-N 1 0 177.129 1.265 50 0 ADAARO Nc1cc(=[NH2+])ss1 4086163 169287071 /nfs/dbraw/zinc/28/70/71/169287071.db2.gz ZCJMOCGWFVBHIP-UHFFFAOYSA-N 1 0 133.221 1.255 50 0 ADAARO Nc1cc(OC(F)F)cc[nH+]1 98213923 169287194 /nfs/dbraw/zinc/28/71/94/169287194.db2.gz OQDCFCSJGPOPQD-UHFFFAOYSA-N 1 0 160.123 1.265 50 0 ADAARO Nc1cc(N)[nH+]c(-c2ccccc2)n1 39121284 169287363 /nfs/dbraw/zinc/28/73/63/169287363.db2.gz AXRVXGHNQKBQGF-UHFFFAOYSA-N 1 0 186.218 1.308 50 0 in-vitro ADAARO Nc1cc(N)c(Br)c[nH+]1 45028259 169287542 /nfs/dbraw/zinc/28/75/42/169287542.db2.gz GNOTUWYODYTQCO-UHFFFAOYSA-N 1 0 188.028 1.009 50 0 in-vitro ADAARO Nc1cc(N2CCCC2)cc[nH+]1 20357571 169287599 /nfs/dbraw/zinc/28/75/99/169287599.db2.gz RKWAPJTWMVCWIE-UHFFFAOYSA-N 1 0 163.224 1.264 50 0 in-vitro ADAARO Nc1cc([C@@H]2CCC[NH2+]C2)ccn1 98210161 169287717 /nfs/dbraw/zinc/28/77/17/169287717.db2.gz UOSVRLZCAUNTDF-SECBINFHSA-N 1 0 177.251 1.131 50 0 in-vitro ADAARO Nc1cc2c(cc1Cl)C[NH2+]CC2 91301614 169288473 /nfs/dbraw/zinc/28/84/73/169288473.db2.gz BDDFKXZDDQGDSD-UHFFFAOYSA-N 1 0 182.654 1.568 50 0 in-vitro ADAARO Nc1cc2[nH]ccc2c[nH+]1 14985687 169288691 /nfs/dbraw/zinc/28/86/91/169288691.db2.gz IEKFXCSXZRHCIG-UHFFFAOYSA-N 1 0 133.154 1.145 50 0 in-vitro ADAARO Nc1cc2cc[nH]c2cn1 18551745 169288959 /nfs/dbraw/zinc/28/89/59/169288959.db2.gz PFKVAHFIYOMPMX-UHFFFAOYSA-N 1 0 133.154 1.145 50 0 ADAARO Nc1cc2ccccc2cn1 157801 169288999 /nfs/dbraw/zinc/28/89/99/169288999.db2.gz VYCKDIRCVDCQAE-UHFFFAOYSA-N 1 0 144.177 1.817 50 0 in-vitro ADAARO Nc1cc2cc(F)ccc2cn1 91692364 169289184 /nfs/dbraw/zinc/28/91/84/169289184.db2.gz DERFSIJZZZJFQQ-UHFFFAOYSA-N 1 0 162.167 1.956 50 0 in-vitro ADAARO Nc1cc[n+](Cc2ccccc2)cc1 401669 169290174 /nfs/dbraw/zinc/29/01/74/169290174.db2.gz KHFPLJSUSKBXHP-UHFFFAOYSA-O 1 0 185.250 1.605 50 0 ADAARO Nc1ccc(C2CC[NH2+]CC2)cn1 44121996 169291146 /nfs/dbraw/zinc/29/11/46/169291146.db2.gz WLZYZVMUWFTMCD-UHFFFAOYSA-N 1 0 177.251 1.131 50 0 ADAARO Nc1ccc(C2CC[NH2+]CC2)cc1 2509350 169291684 /nfs/dbraw/zinc/29/16/84/169291684.db2.gz NRVYHSVBQNFNAX-UHFFFAOYSA-N 1 0 176.263 1.736 50 0 in-vitro ADAARO Nc1ccc([C@@H]2CCC[NH2+]C2)cc1 22015348 169293658 /nfs/dbraw/zinc/29/36/58/169293658.db2.gz COUOFYDJUDASPJ-SNVBAGLBSA-N 1 0 176.263 1.736 50 0 in-vitro ADAARO Nc1ccc([C@H]2CCC[NH2+]C2)cc1 2553949 169293976 /nfs/dbraw/zinc/29/39/76/169293976.db2.gz COUOFYDJUDASPJ-JTQLQIEISA-N 1 0 176.263 1.736 50 0 in-vitro ADAARO Nc1ccc2c(c1)CC[C@@H]2[NH3+] 47844059 169294291 /nfs/dbraw/zinc/29/42/91/169294291.db2.gz YXCUCVFOTWGVOQ-VIFPVBQESA-N 1 0 148.209 1.215 50 0 in-vitro ADAARO Nc1ccc2c(c1)C[C@H]([NH3+])CC2 95348246 169294298 /nfs/dbraw/zinc/29/42/98/169294298.db2.gz FISUQAVKGARTJH-SNVBAGLBSA-N 1 0 162.236 1.085 50 0 ADAARO Nc1ccc2c(c1)CN1CCCC1=[NH+]2 75577843 169294403 /nfs/dbraw/zinc/29/44/03/169294403.db2.gz LFOFRKYEZWOKPJ-UHFFFAOYSA-N 1 0 187.246 1.908 50 0 biogenic ADAARO Nc1ccc2c(c1)C[C@@H]([NH3+])CC2 95348247 169294505 /nfs/dbraw/zinc/29/45/05/169294505.db2.gz FISUQAVKGARTJH-JTQLQIEISA-N 1 0 162.236 1.085 50 0 ADAARO Nc1ccc2c(c1)[C@H]([NH3+])CCC2 95786736 169294639 /nfs/dbraw/zinc/29/46/39/169294639.db2.gz FIILISPGQREIBX-SNVBAGLBSA-N 1 0 162.236 1.605 50 0 in-vitro ADAARO Nc1ccc2c(c1)C[N@H+](C1CC1)C2 11731033 169294745 /nfs/dbraw/zinc/29/47/45/169294745.db2.gz RWXUITQPIFGGEA-UHFFFAOYSA-N 1 0 174.247 1.747 50 0 ADAARO Nc1ccc2c([nH+]1)CCC2 18531795 169294811 /nfs/dbraw/zinc/29/48/11/169294811.db2.gz HNOVETPPRHXNDM-UHFFFAOYSA-N 1 0 134.182 1.153 50 0 in-vitro ADAARO Nc1ccc2cc[nH+]c(N)c2c1 39119710 169294931 /nfs/dbraw/zinc/29/49/31/169294931.db2.gz PUIYPHIFMLGHFX-UHFFFAOYSA-N 1 0 159.192 1.399 50 0 in-vitro ADAARO Nc1ccc2c([nH+]1)CCCC2 13584266 169294973 /nfs/dbraw/zinc/29/49/73/169294973.db2.gz SHQUNUAMNCPZNJ-UHFFFAOYSA-N 1 0 148.209 1.543 50 0 in-vitro ADAARO Nc1ccc2c(c1)[C@@H]([NH3+])CCC2 95786675 169295024 /nfs/dbraw/zinc/29/50/24/169295024.db2.gz FIILISPGQREIBX-JTQLQIEISA-N 1 0 162.236 1.605 50 0 in-vitro ADAARO Nc1ccc2c(c1)C[NH2+]CCC2 27526376 169295116 /nfs/dbraw/zinc/29/51/16/169295116.db2.gz DAEJBLXGXUDKSD-UHFFFAOYSA-N 1 0 162.236 1.305 50 0 ADAARO Nc1ccc2c(c1)CC[C@H]2[NH3+] 47844061 169295134 /nfs/dbraw/zinc/29/51/34/169295134.db2.gz YXCUCVFOTWGVOQ-SECBINFHSA-N 1 0 148.209 1.215 50 0 in-vitro ADAARO Nc1ccc2c[nH+]ccc2c1 2527080 169295517 /nfs/dbraw/zinc/29/55/17/169295517.db2.gz NGFCTYXFMDWFRQ-UHFFFAOYSA-N 1 0 144.177 1.817 50 0 in-vitro ADAARO Nc1cccc(-[n+]2ccccc2)c1 214617186 169295763 /nfs/dbraw/zinc/29/57/63/169295763.db2.gz JKTABYUWTIILAR-UHFFFAOYSA-N 1 0 171.223 1.546 50 0 in-vitro ADAARO Nc1ccc2[nH]c(CCCO)[nH+]c2c1 4256155 169295805 /nfs/dbraw/zinc/29/58/05/169295805.db2.gz BVNWGDZNXNWEIB-UHFFFAOYSA-N 1 0 191.234 1.070 50 0 in-vitro ADAARO Nc1cccc(N2CCCC2)[nH+]1 70451335 169296453 /nfs/dbraw/zinc/29/64/53/169296453.db2.gz AZTWWODOQNTPHH-UHFFFAOYSA-N 1 0 163.224 1.264 50 0 ADAARO Nc1cccc([C@@H]2CCC[NH2+]2)c1 2509824 169296524 /nfs/dbraw/zinc/29/65/24/169296524.db2.gz KKPITLYHSOXPTM-JTQLQIEISA-N 1 0 162.236 1.693 50 0 ADAARO Nc1cccc(OC2CC[NH2+]CC2)c1 68591875 169296894 /nfs/dbraw/zinc/29/68/94/169296894.db2.gz PNNYQXOCKRCWRI-UHFFFAOYSA-N 1 0 192.262 1.400 50 0 ADAARO Nc1cccc(C2CC[NH2+]CC2)c1 2577357 169296927 /nfs/dbraw/zinc/29/69/27/169296927.db2.gz XOVUFGGDEAHJLB-UHFFFAOYSA-N 1 0 176.263 1.736 50 0 in-vitro ADAARO Nc1cccc(C2CC[NH2+]CC2)n1 44121984 169297116 /nfs/dbraw/zinc/29/71/16/169297116.db2.gz MSXYPGSDNXZJMX-UHFFFAOYSA-N 1 0 177.251 1.131 50 0 ADAARO Nc1cccc(C[NH+]2CCCC2)c1 819013 169297146 /nfs/dbraw/zinc/29/71/46/169297146.db2.gz RZDBCURLSQNEAD-UHFFFAOYSA-N 1 0 176.263 1.865 50 0 in-vitro ADAARO Nc1cccc(CC[NH+]2CCCC2)c1 20191990 169297205 /nfs/dbraw/zinc/29/72/05/169297205.db2.gz UZELPSWMWQYMQZ-UHFFFAOYSA-N 1 0 190.290 1.907 50 0 in-vitro ADAARO Nc1cccc([C@H]2CCC[NH2+]2)c1 35571244 169297747 /nfs/dbraw/zinc/29/77/47/169297747.db2.gz KKPITLYHSOXPTM-SNVBAGLBSA-N 1 0 162.236 1.693 50 0 ADAARO Nc1cccc2cc[nH+]cc12 8698449 169297798 /nfs/dbraw/zinc/29/77/98/169297798.db2.gz GUSYANXQYUJOBH-UHFFFAOYSA-N 1 0 144.177 1.817 50 0 in-vitro ADAARO Nc1ccccc1C[NH+]1CCCC1 518571 169298603 /nfs/dbraw/zinc/29/86/03/169298603.db2.gz GWPIHNDIYNLVOT-UHFFFAOYSA-N 1 0 176.263 1.865 50 0 in-vitro ADAARO Nc1ccccc1C1CC[NH2+]CC1 2509351 169298727 /nfs/dbraw/zinc/29/87/27/169298727.db2.gz NCVKHJZWDQYPQR-UHFFFAOYSA-N 1 0 176.263 1.736 50 0 in-vitro ADAARO Nc1cc[nH+]c(-c2cccnc2)c1 15780556 169299170 /nfs/dbraw/zinc/29/91/70/169299170.db2.gz WKCIOKBWLISHSR-UHFFFAOYSA-N 1 0 171.203 1.726 50 0 ADAARO Nc1cc[nH+]c(N2CCCC2)c1 49804797 169299216 /nfs/dbraw/zinc/29/92/16/169299216.db2.gz ZBSQRSAMKYIVHH-UHFFFAOYSA-N 1 0 163.224 1.264 50 0 in-vitro ADAARO Nc1cc[nH+]c(C2CC2)c1 18899204 169299359 /nfs/dbraw/zinc/29/93/59/169299359.db2.gz POBRHBKAXUQOGD-UHFFFAOYSA-N 1 0 134.182 1.541 50 0 ADAARO Nc1cc[nH+]c(C2CCC2)c1 44118300 169299639 /nfs/dbraw/zinc/29/96/39/169299639.db2.gz MOCNNCUFQABJNB-UHFFFAOYSA-N 1 0 148.209 1.931 50 0 ADAARO Nc1cccnc1Nc1cc[nH+]cc1 75577195 169300193 /nfs/dbraw/zinc/30/01/93/169300193.db2.gz DCWDMZNHYTYQMB-UHFFFAOYSA-N 1 0 186.218 1.802 50 0 ADAARO Nc1cc[nH+]cc1OC(F)F 255187343 169300215 /nfs/dbraw/zinc/30/02/15/169300215.db2.gz CWGTZLVWIZHUBG-UHFFFAOYSA-N 1 0 160.123 1.265 50 0 ADAARO Nc1cc[nH+]cc1C(=O)C(F)(F)F 69844686 169300222 /nfs/dbraw/zinc/30/02/22/169300222.db2.gz YHAUUIYFFGPLRP-UHFFFAOYSA-N 1 0 190.124 1.409 50 0 in-vitro ADAARO Nc1cc[nH+]c2c1CCCC2 24624960 169300229 /nfs/dbraw/zinc/30/02/29/169300229.db2.gz CZVFSRODUXQSSX-UHFFFAOYSA-N 1 0 148.209 1.543 50 0 ADAARO Nc1cc[nH+]c2cc[nH]c12 34411946 169300281 /nfs/dbraw/zinc/30/02/81/169300281.db2.gz MNDKWHJWSWYUKL-UHFFFAOYSA-N 1 0 133.154 1.145 50 0 in-vitro ADAARO Nc1cc[nH+]c2ccccc12 4202478 169300581 /nfs/dbraw/zinc/30/05/81/169300581.db2.gz FQYRLEXKXQRZDH-UHFFFAOYSA-N 1 0 144.177 1.817 50 0 in-vitro ADAARO Nc1cc[nH+]cc1C(=O)C1CC1 69844594 169300679 /nfs/dbraw/zinc/30/06/79/169300679.db2.gz QTPGVFZXJYRLIA-UHFFFAOYSA-N 1 0 162.192 1.257 50 0 in-vitro ADAARO Nc1cc[nH+]cc1-c1ccncc1 47212429 169300693 /nfs/dbraw/zinc/30/06/93/169300693.db2.gz KTXOCBWQPQKDNK-UHFFFAOYSA-N 1 0 171.203 1.726 50 0 ADAARO Nc1cc[nH+]cc1C1CC1 70635204 169300896 /nfs/dbraw/zinc/30/08/96/169300896.db2.gz HGSPDLKFWHOTQP-UHFFFAOYSA-N 1 0 134.182 1.541 50 0 in-vitro ADAARO Nc1cc[nH+]cc1N1CCCC1 84427659 169300921 /nfs/dbraw/zinc/30/09/21/169300921.db2.gz CWJFTAFPORGNIN-UHFFFAOYSA-N 1 0 163.224 1.264 50 0 ADAARO Nc1cc[nH+]c2cc(F)ccc12 32099433 169300924 /nfs/dbraw/zinc/30/09/24/169300924.db2.gz LTTMOJNRHULDIW-UHFFFAOYSA-N 1 0 162.167 1.956 50 0 in-vitro ADAARO Nc1cc[nH+]cc1OC(F)(F)F 90557645 169301116 /nfs/dbraw/zinc/30/11/16/169301116.db2.gz QVXXNMHZXMHXJZ-UHFFFAOYSA-N 1 0 178.113 1.562 50 0 in-vitro ADAARO Nc1cc[nH+]cc1C1CCC1 95483710 169301156 /nfs/dbraw/zinc/30/11/56/169301156.db2.gz HTRHAWNGBLAYDZ-UHFFFAOYSA-N 1 0 148.209 1.931 50 0 ADAARO Nc1cc[nH+]c2cccc(F)c12 91692887 169301173 /nfs/dbraw/zinc/30/11/73/169301173.db2.gz KFAQHDGTMCMGGE-UHFFFAOYSA-N 1 0 162.167 1.956 50 0 ADAARO Nc1cc[nH+]cc1C(F)(F)F 19735127 169301189 /nfs/dbraw/zinc/30/11/89/169301189.db2.gz DYAGVPKVELUYPJ-UHFFFAOYSA-N 1 0 162.114 1.683 50 0 in-vitro ADAARO Nc1cc[nH+]c2c1CCC2 72231193 169301242 /nfs/dbraw/zinc/30/12/42/169301242.db2.gz UGUBGYFVJPTEIG-UHFFFAOYSA-N 1 0 134.182 1.153 50 0 ADAARO Nc1c[nH+]c2ccc(Cl)cn12 36221963 169301780 /nfs/dbraw/zinc/30/17/80/169301780.db2.gz WMDWXJDXNUAVKY-UHFFFAOYSA-N 1 0 167.599 1.570 50 0 ADAARO Nc1c[nH+]c2n1CCCCC2 100647392 169301869 /nfs/dbraw/zinc/30/18/69/169301869.db2.gz NIXOJBVQTSZOTA-UHFFFAOYSA-N 1 0 151.213 1.192 50 0 ADAARO Nc1c[nH+]c2ccccc2c1N 4202917 169302041 /nfs/dbraw/zinc/30/20/41/169302041.db2.gz UTOMICFLROGMAE-UHFFFAOYSA-N 1 0 159.192 1.399 50 0 ADAARO Nc1c[nH+]ccc1NC1CC1 19755466 169302810 /nfs/dbraw/zinc/30/28/10/169302810.db2.gz VPGWOWXXDKITFM-UHFFFAOYSA-N 1 0 149.197 1.238 50 0 in-vitro ADAARO Nc1c[nH+]cc2c1NCCC2 24625704 169302845 /nfs/dbraw/zinc/30/28/45/169302845.db2.gz DWJYWOLHBXVMFI-UHFFFAOYSA-N 1 0 149.197 1.022 50 0 ADAARO Nc1c[nH+]ccc1N1CCCC1 19763639 169302868 /nfs/dbraw/zinc/30/28/68/169302868.db2.gz IXNZFEAFVPIIQR-UHFFFAOYSA-N 1 0 163.224 1.264 50 0 in-vitro ADAARO Nc1c[nH+]cc(Br)c1N 5783816 169302899 /nfs/dbraw/zinc/30/28/99/169302899.db2.gz CMFSWSZEHYPECE-UHFFFAOYSA-N 1 0 188.028 1.009 50 0 in-vitro ADAARO Nc1c[nH+]cc2cc[nH]c12 89220883 169303031 /nfs/dbraw/zinc/30/30/31/169303031.db2.gz DYPBKULODJSIHW-UHFFFAOYSA-N 1 0 133.154 1.145 50 0 in-vitro ADAARO Nc1c[nH+]ccc1NCC1CC1 20381778 169303106 /nfs/dbraw/zinc/30/31/06/169303106.db2.gz YQYUTDYRFPKXTM-UHFFFAOYSA-N 1 0 163.224 1.486 50 0 ADAARO Nc1csc2cccc[n+]12 1726614 169303340 /nfs/dbraw/zinc/30/33/40/169303340.db2.gz HBGDXWFNJFWLIT-UHFFFAOYSA-N 1 0 151.214 1.069 50 0 ADAARO Nc1[nH]c(C(F)(F)F)c[nH+]1 78210728 169304923 /nfs/dbraw/zinc/30/49/23/169304923.db2.gz AEXXVFQSEUSKMG-UHFFFAOYSA-N 1 0 151.091 1.011 50 0 in-vitro ADAARO Nc1[nH]c2cc(Cl)c(F)cc2[nH+]1 66338800 169306464 /nfs/dbraw/zinc/30/64/64/169306464.db2.gz BLXGHUSEUDLUBK-UHFFFAOYSA-N 1 0 185.589 1.938 50 0 ADAARO Nc1nc2c(s1)CCC[C@@H]2[NH3+] 83117079 169306578 /nfs/dbraw/zinc/30/65/78/169306578.db2.gz SQZLNUUHMZTQKE-BYPYZUCNSA-N 1 0 169.253 1.061 50 0 ADAARO Nc1nc2c(s1)CCC[C@H]2[NH3+] 83117078 169307073 /nfs/dbraw/zinc/30/70/73/169307073.db2.gz SQZLNUUHMZTQKE-SCSAIBSYSA-N 1 0 169.253 1.061 50 0 ADAARO Nc1[nH]c2ccc(Cl)cc2[nH+]1 5425419 169307176 /nfs/dbraw/zinc/30/71/76/169307176.db2.gz PDOCNPCPPLPXRV-UHFFFAOYSA-N 1 0 167.599 1.799 50 0 in-vitro ADAARO Nc1[nH]c2cc(F)c(F)cc2[nH+]1 39168340 169307360 /nfs/dbraw/zinc/30/73/60/169307360.db2.gz ARMZWEKTPLCJKD-UHFFFAOYSA-N 1 0 169.134 1.423 50 0 ADAARO Nc1[nH]c2ccc(F)cc2[nH+]1 54405088 169307364 /nfs/dbraw/zinc/30/73/64/169307364.db2.gz MKYGXXIXMHTQFA-UHFFFAOYSA-N 1 0 151.144 1.284 50 0 in-vitro ADAARO Nc1[nH]cc(-c2ccccc2)[nH+]1 12404725 169307466 /nfs/dbraw/zinc/30/74/66/169307466.db2.gz NODFMZCEEBQXME-UHFFFAOYSA-N 1 0 159.192 1.659 50 0 in-vitro ADAARO Nc1[nH]cc(-c2ccc(F)cc2)[nH+]1 12404792 169307554 /nfs/dbraw/zinc/30/75/54/169307554.db2.gz ANHNVGOEKUWHGJ-UHFFFAOYSA-N 1 0 177.182 1.798 50 0 in-vitro ADAARO Nc1[nH]c2ccccc2[nH+]1 16889973 169307585 /nfs/dbraw/zinc/30/75/85/169307585.db2.gz JWYUFVNJZUSCSM-UHFFFAOYSA-N 1 0 133.154 1.145 50 0 in-vitro ADAARO Nc1ncc(C[NH+]2CCCCC2)s1 58083046 169307893 /nfs/dbraw/zinc/30/78/93/169307893.db2.gz NTYRWSPLWDRWNY-UHFFFAOYSA-N 1 0 197.307 1.711 50 0 ADAARO Nc1[nH]cc(-c2ccc(F)c(F)c2)[nH+]1 95917736 169308110 /nfs/dbraw/zinc/30/81/10/169308110.db2.gz WEQFBAONZJVDLH-UHFFFAOYSA-N 1 0 195.172 1.937 50 0 ADAARO Nc1[nH+]ccc2c1CCCC2 14982161 169308596 /nfs/dbraw/zinc/30/85/96/169308596.db2.gz BYRNCZBYTWGXGK-UHFFFAOYSA-N 1 0 148.209 1.543 50 0 in-vitro ADAARO Nc1[nH+]ccc2[nH]ccc12 1565269 169309284 /nfs/dbraw/zinc/30/92/84/169309284.db2.gz AXIMEEWBBDTVHN-UHFFFAOYSA-N 1 0 133.154 1.145 50 0 in-vitro ADAARO Nc1[nH+]ccn1Cc1cccc(F)c1 37483177 169309493 /nfs/dbraw/zinc/30/94/93/169309493.db2.gz YABQCGFEDAZRBQ-UHFFFAOYSA-N 1 0 191.209 1.653 50 0 ADAARO Nc1[nH+]ccn1CC1CCC1 87585782 169309607 /nfs/dbraw/zinc/30/96/07/169309607.db2.gz YPBZBRPWPQLXOR-UHFFFAOYSA-N 1 0 151.213 1.265 50 0 ADAARO Nc1[nH+]ccn1Cc1ccccc1 2530003 169309775 /nfs/dbraw/zinc/30/97/75/169309775.db2.gz NYYVBVQVGYJWIN-UHFFFAOYSA-N 1 0 173.219 1.514 50 0 in-vitro ADAARO Nc1[nH+]ccn1-c1ccccc1 34160006 169309915 /nfs/dbraw/zinc/30/99/15/169309915.db2.gz ACOLGRUIHSRLDA-UHFFFAOYSA-N 1 0 159.192 1.455 50 0 in-vitro ADAARO Nc1[nH+]ccn1C1CCC1 23906269 169309923 /nfs/dbraw/zinc/30/99/23/169309923.db2.gz ZVUMKCNUSUUFQL-UHFFFAOYSA-N 1 0 137.186 1.190 50 0 ADAARO Nc1[nH+]ccn1-c1ccc(F)cc1 98213846 169310041 /nfs/dbraw/zinc/31/00/41/169310041.db2.gz DZPLDHJCRWZUPU-UHFFFAOYSA-N 1 0 177.182 1.594 50 0 ADAARO Nc1[nH+]ccn1Cc1ccccc1F 37483216 169310074 /nfs/dbraw/zinc/31/00/74/169310074.db2.gz NSQBERLWOAGQCC-UHFFFAOYSA-N 1 0 191.209 1.653 50 0 in-vitro ADAARO Nc1[nH+]ccn1Cc1ccc(F)cc1 37483169 169310179 /nfs/dbraw/zinc/31/01/79/169310179.db2.gz YFCHRILUFPYHSR-UHFFFAOYSA-N 1 0 191.209 1.653 50 0 ADAARO Nc1[nH+]ccn1-c1cccc(F)c1 98213801 169310404 /nfs/dbraw/zinc/31/04/04/169310404.db2.gz VKAAVTDYOUAGCW-UHFFFAOYSA-N 1 0 177.182 1.594 50 0 ADAARO Nc1[nH+]ccn1C1CCCC1 98213802 169310434 /nfs/dbraw/zinc/31/04/34/169310434.db2.gz KPOCEELKHBZAEK-UHFFFAOYSA-N 1 0 151.213 1.580 50 0 ADAARO Nc1nnc(C2([NH3+])CCCCC2)s1 49584991 169310569 /nfs/dbraw/zinc/31/05/69/169310569.db2.gz OELZPCIOJSFDOM-UHFFFAOYSA-N 1 0 198.295 1.238 50 0 in-vitro ADAARO Nc1nc2nc3ccccc3c-2[nH][nH+]1 4737130 169310633 /nfs/dbraw/zinc/31/06/33/169310633.db2.gz ASGZIQFYJJFISO-UHFFFAOYSA-N 1 0 185.190 1.088 50 0 ADAARO O=C(C1CC[NH2+]CC1)C(F)(F)F 71790083 169316976 /nfs/dbraw/zinc/31/69/76/169316976.db2.gz UZBHVBDVSKGEHA-UHFFFAOYSA-N 1 0 181.157 1.117 50 0 in-vitro ADAARO O=C(C[NH+]1CCCC1)NC1CCCC1 14193490 169320455 /nfs/dbraw/zinc/32/04/55/169320455.db2.gz DKGRRRHBXFQJJV-UHFFFAOYSA-N 1 0 196.294 1.141 50 0 ADAARO O=C(C[NH2+]C1CCCC1)N1CCCC1 20036994 169320641 /nfs/dbraw/zinc/32/06/41/169320641.db2.gz XKTAIBAIFBCZTM-UHFFFAOYSA-N 1 0 196.294 1.141 50 0 ADAARO O=C(C[NH2+]C1CC1)c1ccccc1 3650771 169320758 /nfs/dbraw/zinc/32/07/58/169320758.db2.gz BWYDQVGGIRXHDE-UHFFFAOYSA-N 1 0 175.231 1.621 50 0 ADAARO O=C(C[NH2+]C1CC1)c1ccc(F)cc1 41612248 169320903 /nfs/dbraw/zinc/32/09/03/169320903.db2.gz UVPHYYHQPSZWLX-UHFFFAOYSA-N 1 0 193.221 1.760 50 0 ADAARO O=C(C[C@@H]1CCC[NH2+]1)c1ccco1 75092827 169321450 /nfs/dbraw/zinc/32/14/50/169321450.db2.gz QQLBPYDYGUPSIH-QMMMGPOBSA-N 1 0 179.219 1.604 50 0 ADAARO O=C(C[C@H]1CCC[NH2+]1)c1ccco1 75092828 169322933 /nfs/dbraw/zinc/32/29/33/169322933.db2.gz QQLBPYDYGUPSIH-MRVPVSSYSA-N 1 0 179.219 1.604 50 0 ADAARO O=C(Cc1ccccc1)C1C[NH2+]C1 211368641 169323204 /nfs/dbraw/zinc/32/32/04/169323204.db2.gz QGORRIIDRZJUNQ-UHFFFAOYSA-N 1 0 175.231 1.018 50 0 ADAARO O=C(Cn1ccnc1)c1ccccc1 14945919 169325340 /nfs/dbraw/zinc/32/53/40/169325340.db2.gz CVJNXVLQSKPUGP-UHFFFAOYSA-N 1 0 186.214 1.766 50 0 in-vitro ADAARO O=C(NC1CC1)OC[C@H]1CCCC[NH2+]1 86229882 169325672 /nfs/dbraw/zinc/32/56/72/169325672.db2.gz UCJHYDCZKWDIOB-SECBINFHSA-N 1 0 198.266 1.017 50 0 ADAARO O=C(NC1CC1)OC[C@@H]1CCCC[NH2+]1 86229881 169325747 /nfs/dbraw/zinc/32/57/47/169325747.db2.gz UCJHYDCZKWDIOB-VIFPVBQESA-N 1 0 198.266 1.017 50 0 ADAARO O=C(NC1CCCC1)[C@H]1CCC[NH2+]C1 19411593 169326747 /nfs/dbraw/zinc/32/67/47/169326747.db2.gz GOEWFDJYJVBHPX-VIFPVBQESA-N 1 0 196.294 1.045 50 0 ADAARO O=C(NC1CCCC1)C1CC[NH2+]CC1 15416807 169327035 /nfs/dbraw/zinc/32/70/35/169327035.db2.gz ZXWVWQFBCSZTHB-UHFFFAOYSA-N 1 0 196.294 1.045 50 0 ADAARO O=C(NC1CCCCC1)[C@H]1CCC[NH2+]1 19409381 169327118 /nfs/dbraw/zinc/32/71/18/169327118.db2.gz CZKXTJCSRJRBCC-SNVBAGLBSA-N 1 0 196.294 1.187 50 0 ADAARO O=C(NC1CCCC1)[C@H]1CCCC[NH2+]1 19408712 169327121 /nfs/dbraw/zinc/32/71/21/169327121.db2.gz JAKBYWSSRXEHDB-SNVBAGLBSA-N 1 0 196.294 1.187 50 0 ADAARO O=C(NC1CCCCC1)[C@@H]1CCC[NH2+]1 11754370 169327151 /nfs/dbraw/zinc/32/71/51/169327151.db2.gz CZKXTJCSRJRBCC-JTQLQIEISA-N 1 0 196.294 1.187 50 0 ADAARO O=C(NC1CCCC1)[C@@H]1CCCC[NH2+]1 19408710 169327180 /nfs/dbraw/zinc/32/71/80/169327180.db2.gz JAKBYWSSRXEHDB-JTQLQIEISA-N 1 0 196.294 1.187 50 0 ADAARO O=C(NC1CCCC1)[C@@H]1CCC[NH2+]C1 19411591 169327197 /nfs/dbraw/zinc/32/71/97/169327197.db2.gz GOEWFDJYJVBHPX-SECBINFHSA-N 1 0 196.294 1.045 50 0 ADAARO O=C(NC1CC[NH2+]CC1)C1CCCC1 4502813 169327327 /nfs/dbraw/zinc/32/73/27/169327327.db2.gz WCCWHEDYTQBSPQ-UHFFFAOYSA-N 1 0 196.294 1.045 50 0 in-vitro ADAARO O=C(N[C@@H]1CCC[NH2+]C1)C1CCCC1 19384935 169331338 /nfs/dbraw/zinc/33/13/38/169331338.db2.gz KAUNTIVSXUNXBO-SNVBAGLBSA-N 1 0 196.294 1.045 50 0 ADAARO O=C(Nc1ccccc1)[C@@H]1CCC[NH2+]1 4313167 169331937 /nfs/dbraw/zinc/33/19/37/169331937.db2.gz NRXYBKZDRCXDOD-JTQLQIEISA-N 1 0 190.246 1.377 50 0 in-vitro ADAARO O=C(N[C@H]1CCC[NH2+]C1)C1CCCC1 19384936 169332432 /nfs/dbraw/zinc/33/24/32/169332432.db2.gz KAUNTIVSXUNXBO-JTQLQIEISA-N 1 0 196.294 1.045 50 0 ADAARO O=C(N[n+]1ccccc1)c1ccccc1 11549124 169332508 /nfs/dbraw/zinc/33/25/08/169332508.db2.gz JIXGJQGQVBZALF-UHFFFAOYSA-O 1 0 199.233 1.358 50 0 ADAARO O=C(Nc1ccccc1)[C@H]1CCC[NH2+]1 4313168 169332738 /nfs/dbraw/zinc/33/27/38/169332738.db2.gz NRXYBKZDRCXDOD-SNVBAGLBSA-N 1 0 190.246 1.377 50 0 in-vitro ADAARO O=C(Nc1ccc(F)cc1)[C@H]1CC[NH2+]1 307595906 169332818 /nfs/dbraw/zinc/33/28/18/169332818.db2.gz LTVHZPXOXJVSQP-SECBINFHSA-N 1 0 194.209 1.126 50 0 ADAARO [NH3+]C[C@H]1COC2(CCCCCC2)O1 95218322 169217075 /nfs/dbraw/zinc/21/70/75/169217075.db2.gz JFFSUNVERFVALC-VIFPVBQESA-N 1 0 185.267 1.411 50 0 in-vitro ADAARO [NH3+]C[C@H]1C[C@H]1C1CCCC1 54587173 169217088 /nfs/dbraw/zinc/21/70/88/169217088.db2.gz YFLAMYKPDOARSX-BDAKNGLRSA-N 1 0 139.242 1.771 50 0 ADAARO [NH3+]C[C@H]1COc2ccccc2C1 4207371 169217099 /nfs/dbraw/zinc/21/70/99/169217099.db2.gz CLWNCRSSFMSHDL-QMMMGPOBSA-N 1 0 163.220 1.196 50 0 in-vitro ADAARO [NH3+]C[C@H]1C[C@@H]1C1CCCC1 54587175 169217158 /nfs/dbraw/zinc/21/71/58/169217158.db2.gz YFLAMYKPDOARSX-RKDXNWHRSA-N 1 0 139.242 1.771 50 0 ADAARO [NH3+]C[C@H]1CC[C@H](c2ccccc2)O1 35837228 169217180 /nfs/dbraw/zinc/21/71/80/169217180.db2.gz IAIACGGIZWXQIK-GHMZBOCLSA-N 1 0 177.247 1.865 50 0 in-vivo ADAARO [NH3+]C[C@H]1CCc2ccccc2N1 22172975 169217204 /nfs/dbraw/zinc/21/72/04/169217204.db2.gz NBDSHMSFKIDUPF-SECBINFHSA-N 1 0 162.236 1.372 50 0 in-vitro ADAARO [NH3+]C[C@H]1C[C@H]1c1ccccc1 29480849 169217223 /nfs/dbraw/zinc/21/72/23/169217223.db2.gz ATTLDOZXPZCOGK-ZJUUUORDSA-N 1 0 147.221 1.749 50 0 in-vitro ADAARO [NH3+]C[C@H]1CN(c2cccs2)C(=O)O1 82384496 169217248 /nfs/dbraw/zinc/21/72/48/169217248.db2.gz KNJHGUYTTOSOAR-LURJTMIESA-N 1 0 198.247 1.032 50 0 ADAARO [NH3+]C[C@H]1C[C@@H]2CC[C@H]1C2 4129025 169217272 /nfs/dbraw/zinc/21/72/72/169217272.db2.gz HWMZHVLJBQTGOL-GJMOJQLCSA-N 1 0 125.215 1.381 50 0 ADAARO [NH3+]C[C@H]1CC[C@H](F)C1 95829045 169217296 /nfs/dbraw/zinc/21/72/96/169217296.db2.gz ZBFGGIJQWMXVBW-WDSKDSINSA-N 1 0 117.167 1.083 50 0 in-vitro ADAARO [NH3+]C[C@H]1COC2(CCCCC2)O1 20264036 169217354 /nfs/dbraw/zinc/21/73/54/169217354.db2.gz FHXNYYFOSMSGPE-QMMMGPOBSA-N 1 0 171.240 1.021 50 0 in-vitro ADAARO [NH3+]C[C@H]1CSc2ccccc21 84330663 169217363 /nfs/dbraw/zinc/21/73/63/169217363.db2.gz HGVCZXNKQGIFPG-ZETCQYMHSA-N 1 0 165.261 1.835 50 0 ADAARO [NH3+]C[C@H]1C[C@@H]1c1cccc(F)c1 40953743 169217433 /nfs/dbraw/zinc/21/74/33/169217433.db2.gz ASHHTAGUESNAIP-PSASIEDQSA-N 1 0 165.211 1.888 50 0 ADAARO [NH3+]C[C@H]1CCc2ccccc2C1 34726685 169217440 /nfs/dbraw/zinc/21/74/40/169217440.db2.gz WKQAFPKAFXIRCK-VIFPVBQESA-N 1 0 161.248 1.750 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCc2ccccc2O1 38325269 169217589 /nfs/dbraw/zinc/21/75/89/169217589.db2.gz BSRHATGBRQMDRF-SECBINFHSA-N 1 0 163.220 1.339 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCc2ccccc21 24316921 169217598 /nfs/dbraw/zinc/21/75/98/169217598.db2.gz QBHALBZXAXQBOY-SECBINFHSA-N 1 0 147.221 1.675 50 0 in-vitro ADAARO [NH3+]C[C@H]1C[C@@H]2C=C[C@H]1C2 5282970 169217649 /nfs/dbraw/zinc/21/76/49/169217649.db2.gz XLBALIGLOMYEKN-GJMOJQLCSA-N 1 0 123.199 1.157 50 0 ADAARO [NH3+]C[C@H]1CCc2cccnc21 24317323 169217741 /nfs/dbraw/zinc/21/77/41/169217741.db2.gz UAXNMFRKSKITGS-MRVPVSSYSA-N 1 0 148.209 1.070 50 0 ADAARO [NH3+]C[C@H]1CNc2ccccc21 24319175 169217768 /nfs/dbraw/zinc/21/77/68/169217768.db2.gz RHXLQEOIUNXHAP-ZETCQYMHSA-N 1 0 148.209 1.154 50 0 in-vitro ADAARO [NH3+]C[C@H]1C[C@]12CCc1ccccc12 54587732 169217942 /nfs/dbraw/zinc/21/79/42/169217942.db2.gz HQMCNIGJEVYPGW-ZYHUDNBSSA-N 1 0 173.259 1.849 50 0 in-vitro ADAARO [NH3+]C[C@H]1Cc2ccccc21 24153456 169218059 /nfs/dbraw/zinc/21/80/59/169218059.db2.gz UOQNRKZMXTYCNA-MRVPVSSYSA-N 1 0 133.194 1.285 50 0 in-vitro ADAARO [NH3+]C[C@H]1Cc2cc(Cl)ccc2O1 5844428 169218060 /nfs/dbraw/zinc/21/80/60/169218060.db2.gz AICZCYWRASYRJI-MRVPVSSYSA-N 1 0 183.638 1.602 50 0 ADAARO [NH3+]Cc1c(F)cccc1Cl 159324 169218231 /nfs/dbraw/zinc/21/82/31/169218231.db2.gz GVULSXIBCHPJEH-UHFFFAOYSA-N 1 0 159.591 1.938 50 0 in-vitro ADAARO [NH3+]Cc1c[nH]c2cc(F)ccc12 20269171 169218262 /nfs/dbraw/zinc/21/82/62/169218262.db2.gz DQJPBEARKIUNRG-UHFFFAOYSA-N 1 0 164.183 1.766 50 0 in-vitro ADAARO [NH3+]Cc1c[nH]nc1-c1ccccc1 4634746 169218268 /nfs/dbraw/zinc/21/82/68/169218268.db2.gz YTYBRZWDGVSNPC-UHFFFAOYSA-N 1 0 173.219 1.535 50 0 in-vitro ADAARO O=C([C@H]1CCCC[NH2+]1)N1CCCCC1 4287477 169361349 /nfs/dbraw/zinc/36/13/49/169361349.db2.gz CABZQVAPYHYSCR-SNVBAGLBSA-N 1 0 196.294 1.141 50 0 ADAARO O=C(O[C@H]1CCC[NH2+]C1)C1CCC1 42769243 169361381 /nfs/dbraw/zinc/36/13/81/169361381.db2.gz WQFDDQJZHFJRBC-VIFPVBQESA-N 1 0 183.251 1.082 50 0 ADAARO O=C([C@@H]1CCC[NH2+]1)N1CCCCCC1 19412908 169361492 /nfs/dbraw/zinc/36/14/92/169361492.db2.gz WQMKVCVTFGJRHA-JTQLQIEISA-N 1 0 196.294 1.141 50 0 ADAARO O=C(O[C@H]1CCC[NH2+]C1)C1CCCC1 42769327 169361561 /nfs/dbraw/zinc/36/15/61/169361561.db2.gz IHQCBFBVOUGSAN-JTQLQIEISA-N 1 0 197.278 1.472 50 0 ADAARO O=C(O[C@H]1CC[NH2+]C1)C1CCCC1 42769394 169361589 /nfs/dbraw/zinc/36/15/89/169361589.db2.gz XCXRZWJPDSNCNU-VIFPVBQESA-N 1 0 183.251 1.082 50 0 ADAARO O=C([C@@H]1CCCC[NH2+]1)N1CCCCC1 4287472 169361842 /nfs/dbraw/zinc/36/18/42/169361842.db2.gz CABZQVAPYHYSCR-JTQLQIEISA-N 1 0 196.294 1.141 50 0 ADAARO O=C(O[C@@H]1CCC[NH2+]C1)C1CCC1 42769238 169361894 /nfs/dbraw/zinc/36/18/94/169361894.db2.gz WQFDDQJZHFJRBC-SECBINFHSA-N 1 0 183.251 1.082 50 0 ADAARO O=C(O[C@@H]1CC[NH2+]C1)c1ccccc1 42769454 169361934 /nfs/dbraw/zinc/36/19/34/169361934.db2.gz RSCLTAHCZHPGHS-SNVBAGLBSA-N 1 0 191.230 1.205 50 0 in-vitro ADAARO O=C(O[C@@H]1CCC[NH2+]C1)C1CCCC1 42769322 169361960 /nfs/dbraw/zinc/36/19/60/169361960.db2.gz IHQCBFBVOUGSAN-SNVBAGLBSA-N 1 0 197.278 1.472 50 0 ADAARO O=C(OC[C@H]1CC[NH2+]C1)c1ccco1 42768466 169362064 /nfs/dbraw/zinc/36/20/64/169362064.db2.gz KZFSIQLWEHMIGE-QMMMGPOBSA-N 1 0 195.218 1.046 50 0 ADAARO O=C(O[C@H]1CCC[NH2+]C1)c1ccco1 42768420 169362090 /nfs/dbraw/zinc/36/20/90/169362090.db2.gz QVWDJBXZNHZMCM-QMMMGPOBSA-N 1 0 195.218 1.188 50 0 ADAARO O=C(OC[C@H]1CCC[NH2+]C1)C1CCC1 42769263 169362150 /nfs/dbraw/zinc/36/21/50/169362150.db2.gz MHEHQIXRGZFMTN-VIFPVBQESA-N 1 0 197.278 1.329 50 0 ADAARO O=C(O[C@@H]1CCC[NH2+]C1)c1ccco1 42768416 169362156 /nfs/dbraw/zinc/36/21/56/169362156.db2.gz QVWDJBXZNHZMCM-MRVPVSSYSA-N 1 0 195.218 1.188 50 0 ADAARO O=C(OC[C@H]1CC[NH2+]C1)C1CCCC1 42769385 169362191 /nfs/dbraw/zinc/36/21/91/169362191.db2.gz BSCZJOBVNHJKCM-VIFPVBQESA-N 1 0 197.278 1.329 50 0 ADAARO O=C(O[C@@H]1CC[NH2+]C1)C1CCCC1 42769390 169362257 /nfs/dbraw/zinc/36/22/57/169362257.db2.gz XCXRZWJPDSNCNU-SECBINFHSA-N 1 0 183.251 1.082 50 0 ADAARO O=C(O[C@H]1CC[NH2+]C1)c1ccccc1 38313422 169362316 /nfs/dbraw/zinc/36/23/16/169362316.db2.gz RSCLTAHCZHPGHS-JTQLQIEISA-N 1 0 191.230 1.205 50 0 in-vitro ADAARO O=C([C@H]1CCC[NH2+]1)N1CCCCCC1 19412910 169362335 /nfs/dbraw/zinc/36/23/35/169362335.db2.gz WQMKVCVTFGJRHA-SNVBAGLBSA-N 1 0 196.294 1.141 50 0 ADAARO O=C(c1cccc(F)c1)[C@H]1CC[NH2+]C1 82388301 169362437 /nfs/dbraw/zinc/36/24/37/169362437.db2.gz DAUCDRODRSNSDJ-VIFPVBQESA-N 1 0 193.221 1.618 50 0 ADAARO O=C(c1ccc(O)cc1)[C@H]1CCC[NH2+]1 82726736 169362476 /nfs/dbraw/zinc/36/24/76/169362476.db2.gz KTXAIQQSZAWCJP-SNVBAGLBSA-N 1 0 191.230 1.327 50 0 ADAARO O=C(c1ccccc1)[C@@H]1CCC[NH2+]C1 11630719 169362586 /nfs/dbraw/zinc/36/25/86/169362586.db2.gz TXXOWSICLRODES-LLVKDONJSA-N 1 0 189.258 1.869 50 0 in-vitro ADAARO O=C(c1cccc(F)c1)C1C[NH2+]C1 167570162 169362609 /nfs/dbraw/zinc/36/26/09/169362609.db2.gz MXPBFQJJVSONIX-UHFFFAOYSA-N 1 0 179.194 1.228 50 0 ADAARO O=C(c1cccc(F)c1)[C@@H]1CC[NH2+]C1 82388300 169362644 /nfs/dbraw/zinc/36/26/44/169362644.db2.gz DAUCDRODRSNSDJ-SECBINFHSA-N 1 0 193.221 1.618 50 0 ADAARO O=C(c1ccccc1)C1C[NH2+]C1 91368677 169362978 /nfs/dbraw/zinc/36/29/78/169362978.db2.gz PQYNJIDNMNODOE-UHFFFAOYSA-N 1 0 161.204 1.089 50 0 ADAARO O=C(c1ccc(O)cc1)[C@@H]1CCC[NH2+]1 82726735 169363024 /nfs/dbraw/zinc/36/30/24/169363024.db2.gz KTXAIQQSZAWCJP-JTQLQIEISA-N 1 0 191.230 1.327 50 0 ADAARO O=C(c1ccc(F)cc1)C1C[NH2+]C1 126183998 169363064 /nfs/dbraw/zinc/36/30/64/169363064.db2.gz GYLLOKOCAHEPJY-UHFFFAOYSA-N 1 0 179.194 1.228 50 0 ADAARO O=C(c1ccccc1)C1CC[NH2+]CC1 4695353 169363134 /nfs/dbraw/zinc/36/31/34/169363134.db2.gz DDRCHUGHUHZNKZ-UHFFFAOYSA-N 1 0 189.258 1.869 50 0 in-vitro ADAARO O=C(c1ccccc1)[C@@H]1CCC[NH2+]1 11630639 169363168 /nfs/dbraw/zinc/36/31/68/169363168.db2.gz JNMOJXSLHIDBDW-JTQLQIEISA-N 1 0 175.231 1.621 50 0 in-vitro ADAARO O=C(c1ccccc1)[C@@H]1CC[NH2+]C1 66054919 169363241 /nfs/dbraw/zinc/36/32/41/169363241.db2.gz YLBMMUDQGTXXKP-SNVBAGLBSA-N 1 0 175.231 1.479 50 0 ADAARO O=C(c1cccs1)C1CC[NH2+]CC1 11630757 169363440 /nfs/dbraw/zinc/36/34/40/169363440.db2.gz QBJGQECJNLNPLJ-UHFFFAOYSA-N 1 0 195.287 1.930 50 0 in-vitro ADAARO O=C(c1cccs1)[C@@H]1CCC[NH2+]C1 11630717 169363566 /nfs/dbraw/zinc/36/35/66/169363566.db2.gz OXBHNXNHYVNYTJ-MRVPVSSYSA-N 1 0 195.287 1.930 50 0 in-vitro ADAARO O=C(c1ccccc1)[C@H]1CCC[NH2+]1 11630640 169363660 /nfs/dbraw/zinc/36/36/60/169363660.db2.gz JNMOJXSLHIDBDW-SNVBAGLBSA-N 1 0 175.231 1.621 50 0 in-vitro ADAARO O=C(c1ccccc1)[C@H]1CCC[NH2+]C1 11630720 169363694 /nfs/dbraw/zinc/36/36/94/169363694.db2.gz TXXOWSICLRODES-NSHDSACASA-N 1 0 189.258 1.869 50 0 in-vitro ADAARO O=C(c1cccnc1)C1CC[NH2+]CC1 5522272 169363849 /nfs/dbraw/zinc/36/38/49/169363849.db2.gz UOMRXGPLZBRRSY-UHFFFAOYSA-N 1 0 190.246 1.264 50 0 ADAARO O=C(c1cccnc1)[C@H]1CCC[NH2+]C1 39570900 169363949 /nfs/dbraw/zinc/36/39/49/169363949.db2.gz JTRISJKXTFMCDW-JTQLQIEISA-N 1 0 190.246 1.264 50 0 in-vitro ADAARO O=C(c1cccnc1)[C@@H]1CCC[NH2+]C1 39570899 169363998 /nfs/dbraw/zinc/36/39/98/169363998.db2.gz JTRISJKXTFMCDW-SNVBAGLBSA-N 1 0 190.246 1.264 50 0 in-vitro ADAARO O=C(c1cccs1)[C@H]1CCC[NH2+]C1 11630718 169364063 /nfs/dbraw/zinc/36/40/63/169364063.db2.gz OXBHNXNHYVNYTJ-QMMMGPOBSA-N 1 0 195.287 1.930 50 0 in-vitro ADAARO O=C(c1ccccc1)[C@H]1CC[NH2+]C1 66054920 169364073 /nfs/dbraw/zinc/36/40/73/169364073.db2.gz YLBMMUDQGTXXKP-JTQLQIEISA-N 1 0 175.231 1.479 50 0 ADAARO O=C(c1ccccn1)[C@@H]1CCC[NH2+]C1 19088744 169364146 /nfs/dbraw/zinc/36/41/46/169364146.db2.gz GVRQPEWKLVGHFL-SECBINFHSA-N 1 0 190.246 1.264 50 0 ADAARO O=C(c1ccccn1)C1CC[NH2+]CC1 2559738 169364186 /nfs/dbraw/zinc/36/41/86/169364186.db2.gz RYSUBUJIGPJSFC-UHFFFAOYSA-N 1 0 190.246 1.264 50 0 ADAARO O=C(c1ccccn1)[C@H]1CCC[NH2+]C1 19088747 169364268 /nfs/dbraw/zinc/36/42/68/169364268.db2.gz GVRQPEWKLVGHFL-VIFPVBQESA-N 1 0 190.246 1.264 50 0 ADAARO O=C1CCC2(CC[NH2+]CC2)CC1 84324790 169369957 /nfs/dbraw/zinc/36/99/57/169369957.db2.gz ZPKCBDBPTCYRLX-UHFFFAOYSA-N 1 0 167.252 1.499 50 0 ADAARO O=C1CCCC[C@@H]1[NH+]1CCCCC1 4791831 169370589 /nfs/dbraw/zinc/37/05/89/169370589.db2.gz FPXOYKASIBOVAL-JTQLQIEISA-N 1 0 181.279 1.984 50 0 in-vitro ADAARO O=C1CCCC[C@@H]1C[NH+]1CCCC1 1635089 169370603 /nfs/dbraw/zinc/37/06/03/169370603.db2.gz PXMBMJRXFBLNMO-SNVBAGLBSA-N 1 0 181.279 1.842 50 0 ADAARO O=C1CCCC12CC[NH2+]CC2 39111615 169370641 /nfs/dbraw/zinc/37/06/41/169370641.db2.gz LSFCLYRZJPQJHA-UHFFFAOYSA-N 1 0 153.225 1.109 50 0 in-vitro ADAARO O=C1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 74941899 169370684 /nfs/dbraw/zinc/37/06/84/169370684.db2.gz NHPRYPGSMPYAOM-BDAKNGLRSA-N 1 0 167.252 1.498 50 0 in-vitro ADAARO O=C1CCCC[C@@H]1[C@H]1CCC[NH2+]1 74941903 169371116 /nfs/dbraw/zinc/37/11/16/169371116.db2.gz NHPRYPGSMPYAOM-RKDXNWHRSA-N 1 0 167.252 1.498 50 0 in-vitro ADAARO O=C1CCCC[C@H]1[C@H]1CCC[NH2+]1 74941901 169371231 /nfs/dbraw/zinc/37/12/31/169371231.db2.gz NHPRYPGSMPYAOM-DTWKUNHWSA-N 1 0 167.252 1.498 50 0 in-vitro ADAARO O=C1CCCN(C2CCCC2)C1 40448563 169371241 /nfs/dbraw/zinc/37/12/41/169371241.db2.gz GBWPGGCAYKOXKD-UHFFFAOYSA-N 1 0 167.252 1.594 50 0 in-vitro ADAARO O=C1CCCN(Cc2ccccc2)C1 119573 169371298 /nfs/dbraw/zinc/37/12/98/169371298.db2.gz BBQQULRBTOMLTC-UHFFFAOYSA-N 1 0 189.258 1.852 50 0 in-vitro ADAARO O=C1CCCC[C@H]1[NH+]1CCCCC1 4791822 169371439 /nfs/dbraw/zinc/37/14/39/169371439.db2.gz FPXOYKASIBOVAL-SNVBAGLBSA-N 1 0 181.279 1.984 50 0 in-vitro ADAARO O=C1CCCC[C@H]1C[NH+]1CCCC1 3593582 169371504 /nfs/dbraw/zinc/37/15/04/169371504.db2.gz PXMBMJRXFBLNMO-JTQLQIEISA-N 1 0 181.279 1.842 50 0 ADAARO O=C1CCCN1CC[C@@H]1CCCC[NH2+]1 4298624 169371621 /nfs/dbraw/zinc/37/16/21/169371621.db2.gz QASZUWYYFJDMOS-JTQLQIEISA-N 1 0 196.294 1.141 50 0 in-vitro ADAARO O=C1CCCN1CC[C@H]1CCCC[NH2+]1 4298625 169371860 /nfs/dbraw/zinc/37/18/60/169371860.db2.gz QASZUWYYFJDMOS-SNVBAGLBSA-N 1 0 196.294 1.141 50 0 in-vitro ADAARO O=C1CCCC[C@H]1[C@@H]1CCC[NH2+]1 74941897 169372101 /nfs/dbraw/zinc/37/21/01/169372101.db2.gz NHPRYPGSMPYAOM-IUCAKERBSA-N 1 0 167.252 1.498 50 0 in-vitro ADAARO O=C1CCC[C@@H]1[C@@H]1CCC[NH2+]1 86493437 169372929 /nfs/dbraw/zinc/37/29/29/169372929.db2.gz RDTQWZQVOGIQHG-SFYZADRCSA-N 1 0 153.225 1.108 50 0 in-vitro ADAARO O=C1CCC[C@@H]1[C@H]1CCC[NH2+]1 86493441 169372957 /nfs/dbraw/zinc/37/29/57/169372957.db2.gz RDTQWZQVOGIQHG-HTQZYQBOSA-N 1 0 153.225 1.108 50 0 in-vitro ADAARO O=C1CCC[C@H]1[C@@H]1CCC[NH2+]1 86493439 169372979 /nfs/dbraw/zinc/37/29/79/169372979.db2.gz RDTQWZQVOGIQHG-YUMQZZPRSA-N 1 0 153.225 1.108 50 0 in-vitro ADAARO O=C1CCC[C@H]1[C@H]1CCC[NH2+]1 86493443 169373119 /nfs/dbraw/zinc/37/31/19/169373119.db2.gz RDTQWZQVOGIQHG-JGVFFNPUSA-N 1 0 153.225 1.108 50 0 in-vitro ADAARO O=C1CC[NH2+][C@@H](Cc2ccccc2)C1 2553964 169373277 /nfs/dbraw/zinc/37/32/77/169373277.db2.gz HBXGSIZEPYWAOK-NSHDSACASA-N 1 0 189.258 1.550 50 0 in-vitro ADAARO O=C1CC[NH+](C2CCCCC2)CC1 2513926 169373305 /nfs/dbraw/zinc/37/33/05/169373305.db2.gz QQYHUQVNANUTNM-UHFFFAOYSA-N 1 0 181.279 1.984 50 0 in-vitro ADAARO O=C1CC[NH+](C2CCCC2)CC1 19432334 169373362 /nfs/dbraw/zinc/37/33/62/169373362.db2.gz OJEDWBCGPOCKJW-UHFFFAOYSA-N 1 0 167.252 1.594 50 0 in-vitro ADAARO O=C1CC[NH2+]C[C@@H]1Cc1ccccc1 60142784 169373589 /nfs/dbraw/zinc/37/35/89/169373589.db2.gz DOFKUHJXLCSYBS-NSHDSACASA-N 1 0 189.258 1.408 50 0 ADAARO O=C1CC[NH2+]C[C@H]1c1ccccc1 36518224 169373714 /nfs/dbraw/zinc/37/37/14/169373714.db2.gz GCSFYHTYULPVGT-JTQLQIEISA-N 1 0 175.231 1.333 50 0 ADAARO O=C1CC[NH2+]C[C@@H]1c1ccccc1 36518226 169373786 /nfs/dbraw/zinc/37/37/86/169373786.db2.gz GCSFYHTYULPVGT-SNVBAGLBSA-N 1 0 175.231 1.333 50 0 ADAARO O=C1CC[N@@H+]2CCCC[C@H]2C1 3847174 169374083 /nfs/dbraw/zinc/37/40/83/169374083.db2.gz RRPGLCASKVWATQ-QMMMGPOBSA-N 1 0 153.225 1.204 50 0 in-vitro ADAARO O=C1CC[NH+](CC2CC2)CC1 19476559 169374110 /nfs/dbraw/zinc/37/41/10/169374110.db2.gz WEGGUCATBXAQDP-UHFFFAOYSA-N 1 0 153.225 1.061 50 0 in-vitro ADAARO O=C1CC[N@@H+]2CCCC[C@@H]2C1 3847175 169374363 /nfs/dbraw/zinc/37/43/63/169374363.db2.gz RRPGLCASKVWATQ-MRVPVSSYSA-N 1 0 153.225 1.204 50 0 in-vitro ADAARO O=C1CC[NH2+]C[C@H]1Cc1ccccc1 60142782 169374517 /nfs/dbraw/zinc/37/45/17/169374517.db2.gz DOFKUHJXLCSYBS-LLVKDONJSA-N 1 0 189.258 1.408 50 0 ADAARO O=C1CC[NH2+][C@H]2CCCC[C@H]12 140746 169374784 /nfs/dbraw/zinc/37/47/84/169374784.db2.gz VZTBFFGJFFYFRT-YUMQZZPRSA-N 1 0 153.225 1.108 50 0 in-vitro ADAARO O=C1CC[NH2+][C@H](Cc2ccccc2)C1 59722420 169374896 /nfs/dbraw/zinc/37/48/96/169374896.db2.gz HBXGSIZEPYWAOK-LLVKDONJSA-N 1 0 189.258 1.550 50 0 in-vitro ADAARO O=C1CCOC[C@H]1C[NH+]1CCCCC1 5897607 169374904 /nfs/dbraw/zinc/37/49/04/169374904.db2.gz SRTDHJNNYRDQAX-SNVBAGLBSA-N 1 0 197.278 1.078 50 0 in-vitro ADAARO O=C1CC[NH2+][C@H]2CCCC[C@@H]12 2751700 169374956 /nfs/dbraw/zinc/37/49/56/169374956.db2.gz VZTBFFGJFFYFRT-SFYZADRCSA-N 1 0 153.225 1.108 50 0 in-vitro ADAARO O=C1CC[NH2+][C@@H]2CCCC[C@@H]12 140739 169375073 /nfs/dbraw/zinc/37/50/73/169375073.db2.gz VZTBFFGJFFYFRT-HTQZYQBOSA-N 1 0 153.225 1.108 50 0 in-vitro ADAARO O=C1CC[NH2+][C@@H]2CCCC[C@H]12 2751699 169375099 /nfs/dbraw/zinc/37/50/99/169375099.db2.gz VZTBFFGJFFYFRT-JGVFFNPUSA-N 1 0 153.225 1.108 50 0 in-vitro ADAARO O=C1CCOC[C@@H]1C[NH+]1CCCCC1 2535387 169375139 /nfs/dbraw/zinc/37/51/39/169375139.db2.gz SRTDHJNNYRDQAX-JTQLQIEISA-N 1 0 197.278 1.078 50 0 in-vitro ADAARO O=C1C[C@@H]2CC[C@H](C1)[N@@H+]2C1CC1 38343294 169381418 /nfs/dbraw/zinc/38/14/18/169381418.db2.gz LEMYNEZPTCSVOW-DTORHVGOSA-N 1 0 165.236 1.345 50 0 in-vitro ADAARO O=C1C[C@@H]2CC[C@H](C1)[N@@H+]2CC1CC1 33358847 169381520 /nfs/dbraw/zinc/38/15/20/169381520.db2.gz ORXWSZSJANOMOQ-AOOOYVTPSA-N 1 0 179.263 1.592 50 0 in-vitro ADAARO O=C1C[C@@H]2[NH2+]CCc3cccc1c32 19862883 169381565 /nfs/dbraw/zinc/38/15/65/169381565.db2.gz CQWOTKCLUYJOPP-VIFPVBQESA-N 1 0 173.215 1.460 50 0 in-vitro ADAARO O=C1C[C@H]2[NH2+]CCc3cccc1c32 19862886 169383212 /nfs/dbraw/zinc/38/32/12/169383212.db2.gz CQWOTKCLUYJOPP-SECBINFHSA-N 1 0 173.215 1.460 50 0 in-vitro ADAARO O=C1OCC[C@H]1[NH+]1CCCCCCC1 65517066 169391327 /nfs/dbraw/zinc/39/13/27/169391327.db2.gz KYXQWEMFXKROSO-SNVBAGLBSA-N 1 0 197.278 1.568 50 0 ADAARO O=C1OCC[C@@H]1[NH+]1CCCCCCC1 65517067 169391604 /nfs/dbraw/zinc/39/16/04/169391604.db2.gz KYXQWEMFXKROSO-JTQLQIEISA-N 1 0 197.278 1.568 50 0 ADAARO OC1CCC2(CCC[NH2+]2)CC1 90714199 169422198 /nfs/dbraw/zinc/42/21/98/169422198.db2.gz AVDBIOQGZJNXOS-UHFFFAOYSA-N 1 0 155.241 1.044 50 0 ADAARO OCCCCC1CC[NH2+]CC1 2507164 169424779 /nfs/dbraw/zinc/42/47/79/169424779.db2.gz YRKCHKQZWFMCPB-UHFFFAOYSA-N 1 0 157.257 1.149 50 0 in-vitro ADAARO OCCCC[NH+]1CCCCCC1 12403769 169424966 /nfs/dbraw/zinc/42/49/66/169424966.db2.gz VEZPTXHBVDZYHO-UHFFFAOYSA-N 1 0 171.284 1.635 50 0 in-vitro ADAARO OCCCCC[NH2+]Cc1ccncc1 13717851 169425034 /nfs/dbraw/zinc/42/50/34/169425034.db2.gz CEBTUYWNUIJYTM-UHFFFAOYSA-N 1 0 194.278 1.334 50 0 ADAARO OCCC[NH2+]Cc1ccccc1 1758567 169425536 /nfs/dbraw/zinc/42/55/36/169425536.db2.gz ZQJXSIOFSZYGMH-UHFFFAOYSA-N 1 0 165.236 1.159 50 0 in-vitro ADAARO OCCC[NH2+]Cc1cccs1 17744290 169425747 /nfs/dbraw/zinc/42/57/47/169425747.db2.gz UMXYLSPIQWLOEJ-UHFFFAOYSA-N 1 0 171.265 1.220 50 0 ADAARO OCCC[NH2+]Cc1ccccc1F 2510429 169425765 /nfs/dbraw/zinc/42/57/65/169425765.db2.gz NAZITGRUQAOIKU-UHFFFAOYSA-N 1 0 183.226 1.298 50 0 ADAARO OCC[N@@H+]1CCC[C@H]2CCCC[C@H]21 36827538 169426838 /nfs/dbraw/zinc/42/68/38/169426838.db2.gz QZJYTGZMRMJLJG-GHMZBOCLSA-N 1 0 183.295 1.633 50 0 ADAARO OCC[NH2+]Cc1ccccc1Cl 2555538 169427771 /nfs/dbraw/zinc/42/77/71/169427771.db2.gz SBTVFWBGEIPFDO-UHFFFAOYSA-N 1 0 185.654 1.422 50 0 in-vitro ADAARO OCC[NH2+][C@@H]1CCCc2ccccc21 4290964 169427905 /nfs/dbraw/zinc/42/79/05/169427905.db2.gz ATHCMLMFXXTYEA-GFCCVEGCSA-N 1 0 191.274 1.646 50 0 in-vitro ADAARO OCC[NH2+][C@@H]1CCc2ccccc21 26515972 169428216 /nfs/dbraw/zinc/42/82/16/169428216.db2.gz GGLQSNAHAAPZCF-LLVKDONJSA-N 1 0 177.247 1.256 50 0 in-vitro ADAARO OCC[C@]1(c2ccccc2)CC[NH2+]C1 49587175 169429295 /nfs/dbraw/zinc/42/92/95/169429295.db2.gz JBGZJQULYGMJGT-GFCCVEGCSA-N 1 0 191.274 1.300 50 0 ADAARO OCC[C@H]1Cc2ccccc2C[NH2+]1 39321557 169429984 /nfs/dbraw/zinc/42/99/84/169429984.db2.gz WKACBLSJQCIWIQ-NSHDSACASA-N 1 0 177.247 1.083 50 0 ADAARO OC[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 145964021 169432482 /nfs/dbraw/zinc/43/24/82/169432482.db2.gz CCYONUQTZTYVFP-NWDGAFQWSA-N 1 0 191.274 1.372 50 0 ADAARO OC[C@@H]1C[NH2+]C[C@H]1c1ccccc1F 34927139 169432488 /nfs/dbraw/zinc/43/24/88/169432488.db2.gz IXXLXWFGKFQIDH-WCBMZHEXSA-N 1 0 195.237 1.121 50 0 ADAARO OC[C@@]1(c2ccccc2)CCC[NH2+]C1 38434711 169434481 /nfs/dbraw/zinc/43/44/81/169434481.db2.gz PGUSALGFGXVARB-GFCCVEGCSA-N 1 0 191.274 1.300 50 0 in-vitro ADAARO OC[C@H]1CCC[N@@H+]1Cc1ccco1 11727367 169435057 /nfs/dbraw/zinc/43/50/57/169435057.db2.gz AJMRZGKANCNDIY-SECBINFHSA-N 1 0 181.235 1.236 50 0 in-vitro ADAARO OC[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 115224789 169435110 /nfs/dbraw/zinc/43/51/10/169435110.db2.gz CCYONUQTZTYVFP-VXGBXAGGSA-N 1 0 191.274 1.372 50 0 ADAARO OCc1ccccc1C1CC[NH2+]CC1 75904890 169439641 /nfs/dbraw/zinc/43/96/41/169439641.db2.gz XVEQUIMLKSGLKI-UHFFFAOYSA-N 1 0 191.274 1.646 50 0 in-vitro ADAARO O[C@@H](c1ccncc1)C1CC[NH2+]CC1 83161766 169442792 /nfs/dbraw/zinc/44/27/92/169442792.db2.gz USKBCAHOPLVRLG-NSHDSACASA-N 1 0 192.262 1.115 50 0 ADAARO O[C@@H](c1ccccc1)[C@H]1CCC[NH2+]C1 32008428 169442828 /nfs/dbraw/zinc/44/28/28/169442828.db2.gz LRMSJSMBPXSCCK-RYUDHWBXSA-N 1 0 191.274 1.720 50 0 ADAARO O[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1 1706758 169443329 /nfs/dbraw/zinc/44/33/29/169443329.db2.gz WZCPDFBYBSINPZ-NEPJUHHUSA-N 1 0 191.274 1.862 50 0 in-vitro ADAARO O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 83823909 169443858 /nfs/dbraw/zinc/44/38/58/169443858.db2.gz NCZIEQILKFBUKL-GARJFASQSA-N 1 0 183.295 1.680 50 0 in-vitro ADAARO O[C@@H]1CCCC[C@H]1[NH+]1CCCCC1 5133808 169444319 /nfs/dbraw/zinc/44/43/19/169444319.db2.gz UXCABTUQGBBPPF-GHMZBOCLSA-N 1 0 183.295 1.776 50 0 in-vitro ADAARO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 227555288 169444870 /nfs/dbraw/zinc/44/48/70/169444870.db2.gz AILPVFCDNZXYFP-KXUCPTDWSA-N 1 0 169.268 1.290 50 0 ADAARO O[C@@H]1CCN2Cc3ccccc3[NH+]=C12 18286095 169445316 /nfs/dbraw/zinc/44/53/16/169445316.db2.gz YIICVSCAKJMMDJ-SNVBAGLBSA-N 1 0 188.230 1.297 50 0 biogenic,in-vitro ADAARO O[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1 37489889 169445654 /nfs/dbraw/zinc/44/56/54/169445654.db2.gz FEGVMDAESGIXLU-VXGBXAGGSA-N 1 0 191.274 1.690 50 0 in-vitro ADAARO O[C@@H]1C[NH2+][C@@H](c2ccccc2)C1 69970583 169446817 /nfs/dbraw/zinc/44/68/17/169446817.db2.gz MDJWIDATPRVAQE-VHSXEESVSA-N 1 0 163.220 1.082 50 0 ADAARO O[C@@H]1C[NH2+][C@@H](C2CCCCC2)C1 68591781 169447444 /nfs/dbraw/zinc/44/74/44/169447444.db2.gz NWRDUJHOJAABBR-VHSXEESVSA-N 1 0 169.268 1.290 50 0 in-vitro ADAARO O[C@H](C[C@H]1CCC[NH2+]1)c1cccs1 72314396 169448610 /nfs/dbraw/zinc/44/86/10/169448610.db2.gz YPDAPHZLNYDPBN-RKDXNWHRSA-N 1 0 197.303 1.924 50 0 ADAARO O[C@H](C[NH2+]C1CCCC1)C(F)(F)F 4050524 169448741 /nfs/dbraw/zinc/44/87/41/169448741.db2.gz FAKWNOGFHXWHFU-SSDOTTSWSA-N 1 0 197.200 1.442 50 0 ADAARO O[C@H](C[C@H]1CCC[NH2+]1)c1ccco1 75110358 169448786 /nfs/dbraw/zinc/44/87/86/169448786.db2.gz WFLJBRRIRXFMNI-RKDXNWHRSA-N 1 0 181.235 1.455 50 0 in-vitro ADAARO O[C@H](c1cccnc1)C1CC[NH2+]CC1 20439068 169449368 /nfs/dbraw/zinc/44/93/68/169449368.db2.gz GMUHNGNJDJIZLQ-NSHDSACASA-N 1 0 192.262 1.115 50 0 in-vitro ADAARO O[C@H](c1ccccc1)[C@@H]1CCC[NH2+]1 32007011 169449444 /nfs/dbraw/zinc/44/94/44/169449444.db2.gz YPMHBZQROFTOSU-WDEREUQCSA-N 1 0 177.247 1.472 50 0 in-vitro ADAARO O[C@H](c1ccccc1)[C@H]1CCC[NH2+]C1 32008426 169449543 /nfs/dbraw/zinc/44/95/43/169449543.db2.gz LRMSJSMBPXSCCK-NWDGAFQWSA-N 1 0 191.274 1.720 50 0 ADAARO O[C@H]([C@@H]1CCCC[NH2+]1)C(F)(F)F 57219159 169449623 /nfs/dbraw/zinc/44/96/23/169449623.db2.gz BPFMROPVHHAXCC-NTSWFWBYSA-N 1 0 183.173 1.052 50 0 in-vitro ADAARO O[C@H](c1ccccc1)[C@H]1CCC[NH2+]1 32007014 169449934 /nfs/dbraw/zinc/44/99/34/169449934.db2.gz YPMHBZQROFTOSU-GHMZBOCLSA-N 1 0 177.247 1.472 50 0 in-vitro ADAARO O[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 1706761 169450110 /nfs/dbraw/zinc/45/01/10/169450110.db2.gz WZCPDFBYBSINPZ-NWDGAFQWSA-N 1 0 191.274 1.862 50 0 in-vitro ADAARO O[C@H]1CCCC[C@H]1[NH2+]C1CCCC1 37490725 169450290 /nfs/dbraw/zinc/45/02/90/169450290.db2.gz BKYQSCITTDCQJK-MNOVXSKESA-N 1 0 183.295 1.822 50 0 ADAARO O[C@H]1CCCC[C@@H]1[n+]1ccccc1 1685227 169450327 /nfs/dbraw/zinc/45/03/27/169450327.db2.gz SEDVIBLGTIIBMN-QWRGUYRKSA-N 1 0 178.255 1.450 50 0 ADAARO O[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1 37489887 169451561 /nfs/dbraw/zinc/45/15/61/169451561.db2.gz FEGVMDAESGIXLU-NEPJUHHUSA-N 1 0 191.274 1.690 50 0 ADAARO O[C@H]1C[NH2+][C@H](c2ccc(F)cc2)C1 69970281 169454243 /nfs/dbraw/zinc/45/42/43/169454243.db2.gz NZZYEGHSKMJTKE-ZJUUUORDSA-N 1 0 181.210 1.221 50 0 in-vitro ADAARO O[C@H]1C[NH2+][C@@H](C2CCCCC2)C1 68591786 169454255 /nfs/dbraw/zinc/45/42/55/169454255.db2.gz NWRDUJHOJAABBR-NXEZZACHSA-N 1 0 169.268 1.290 50 0 in-vitro ADAARO O[C@H]1C[NH2+][C@H](C2CCCCC2)C1 68591783 169454539 /nfs/dbraw/zinc/45/45/39/169454539.db2.gz NWRDUJHOJAABBR-ZJUUUORDSA-N 1 0 169.268 1.290 50 0 in-vitro ADAARO O[C@]1(c2ccc(F)cc2)CC[NH2+]C1 3627154 169455640 /nfs/dbraw/zinc/45/56/40/169455640.db2.gz SRXUUXXOHYMXMQ-SNVBAGLBSA-N 1 0 181.210 1.007 50 0 in-vitro ADAARO O[C@]1(Cc2ccccc2F)CC[NH2+]C1 82164391 169455746 /nfs/dbraw/zinc/45/57/46/169455746.db2.gz XHSGRCKBNYACIY-NSHDSACASA-N 1 0 195.237 1.093 50 0 in-vitro ADAARO O[C@]12C[C@H]1C[N@H+](Cc1ccccc1)C2 71790435 169455804 /nfs/dbraw/zinc/45/58/04/169455804.db2.gz WAYNFUALTYDWRJ-RYUDHWBXSA-N 1 0 189.258 1.253 50 0 ADAARO Oc1ccc([C@H]2CCC[NH2+]C2)cc1 71482736 169457841 /nfs/dbraw/zinc/45/78/41/169457841.db2.gz TXKYZQYKQNVYRS-JTQLQIEISA-N 1 0 177.247 1.859 50 0 ADAARO Oc1ccc([C@@H]2CCC[NH2+]2)cc1 19391271 169458389 /nfs/dbraw/zinc/45/83/89/169458389.db2.gz NIVJZQZGIBLJNB-JTQLQIEISA-N 1 0 163.220 1.817 50 0 in-vitro ADAARO Oc1ccccc1[C@H]1CCC[NH2+]C1 71482740 169458853 /nfs/dbraw/zinc/45/88/53/169458853.db2.gz CFEOLNXVLFCYBV-VIFPVBQESA-N 1 0 177.247 1.859 50 0 ADAARO Oc1ccccc1C1CC[NH2+]CC1 11114520 169459407 /nfs/dbraw/zinc/45/94/07/169459407.db2.gz FEKPQWCDELSHHJ-UHFFFAOYSA-N 1 0 177.247 1.859 50 0 ADAARO C#[N+]c1ccc2c(c1)OCO2 95686582 169468438 /nfs/dbraw/zinc/46/84/38/169468438.db2.gz WUKXVUFHYLHUEA-UHFFFAOYSA-N 1 0 147.133 1.966 50 0 in-vitro ADAARO c1c[nH]c([C@H]2CCC[NH2+]2)c1 4900697 169469794 /nfs/dbraw/zinc/46/97/94/169469794.db2.gz TUIFIQOPWFJFNK-MRVPVSSYSA-N 1 0 136.198 1.439 50 0 in-vitro ADAARO c1cc(C[C@@H]2CCCC[NH2+]2)ccn1 3734812 169471283 /nfs/dbraw/zinc/47/12/83/169471283.db2.gz AEUYGRJBDIISBC-NSHDSACASA-N 1 0 176.263 1.766 50 0 in-vitro ADAARO c1cc([C@@H]2CCCC[NH2+]2)on1 107218824 169471743 /nfs/dbraw/zinc/47/17/43/169471743.db2.gz RFUPYFLCTYOWQZ-ZETCQYMHSA-N 1 0 152.197 1.489 50 0 in-vitro ADAARO c1cc([C@H]2CC[NH2+]C2)cs1 82407229 169471912 /nfs/dbraw/zinc/47/19/12/169471912.db2.gz VYYLLGDGNBMACQ-ZETCQYMHSA-N 1 0 153.250 1.825 50 0 ADAARO c1cc([C@H]2CCC[NH2+]2)on1 82707779 169472296 /nfs/dbraw/zinc/47/22/96/169472296.db2.gz MLOADWBZVSUVBP-ZCFIWIBFSA-N 1 0 138.170 1.099 50 0 ADAARO c1cc([C@H]2CCC[NH2+]C2)no1 82407667 169472593 /nfs/dbraw/zinc/47/25/93/169472593.db2.gz VSZULPXTKFSKGH-ZETCQYMHSA-N 1 0 152.197 1.142 50 0 ADAARO c1cc2c(c[nH+]1)NCCCN2 74941682 169472899 /nfs/dbraw/zinc/47/28/99/169472899.db2.gz VBXBKSPNYLEUHJ-UHFFFAOYSA-N 1 0 149.197 1.309 50 0 in-vitro ADAARO c1cc2c(c[nH+]1)CCCN2 24190176 169473236 /nfs/dbraw/zinc/47/32/36/169473236.db2.gz ARCSZHIPWBDSGJ-UHFFFAOYSA-N 1 0 134.182 1.440 50 0 ADAARO c1cc2c(cc1[C@@H]1CCC[NH2+]1)OCO2 2582597 169473397 /nfs/dbraw/zinc/47/33/97/169473397.db2.gz RFDZPAOUCULWED-VIFPVBQESA-N 1 0 191.230 1.840 50 0 ADAARO c1ccc(-c2n[n+]3cccnc3o2)cc1 494462 169474793 /nfs/dbraw/zinc/47/47/93/169474793.db2.gz LGORUOXTGZBMOB-UHFFFAOYSA-N 1 0 198.205 1.475 50 0 ADAARO c1ccc(C[C@H]2C[NH2+]CCS2)cc1 71372523 169475321 /nfs/dbraw/zinc/47/53/21/169475321.db2.gz IIMUARVOSAPLDJ-NSHDSACASA-N 1 0 193.315 1.934 50 0 in-vitro ADAARO c1ccc(C[NH2+][C@@H]2CCCOC2)cc1 71011715 169475608 /nfs/dbraw/zinc/47/56/08/169475608.db2.gz SNBNDUUGRRSANI-GFCCVEGCSA-N 1 0 191.274 1.955 50 0 ADAARO c1ccc(C[C@H]2CC[NH2+]2)cc1 20443076 169475703 /nfs/dbraw/zinc/47/57/03/169475703.db2.gz QACCZSKNXCZIRW-SNVBAGLBSA-N 1 0 147.221 1.591 50 0 in-vitro ADAARO c1ccc(C[C@@H]2CCCC[NH2+]2)nc1 3734802 169475718 /nfs/dbraw/zinc/47/57/18/169475718.db2.gz QBMFPMWNMHUVNH-NSHDSACASA-N 1 0 176.263 1.766 50 0 ADAARO c1ccc(CN2C[C@@H]3C[C@H](C2)[NH2+]3)cc1 83277169 169475742 /nfs/dbraw/zinc/47/57/42/169475742.db2.gz HSMOPMLUYDDHIO-TXEJJXNPSA-N 1 0 188.274 1.233 50 0 in-vitro ADAARO c1ccc(C[C@H]2CCCC[NH2+]2)nc1 3734801 169475815 /nfs/dbraw/zinc/47/58/15/169475815.db2.gz QBMFPMWNMHUVNH-LLVKDONJSA-N 1 0 176.263 1.766 50 0 ADAARO c1ccc(C[NH2+]C2CC2)cc1 16480041 169475822 /nfs/dbraw/zinc/47/58/22/169475822.db2.gz USBAUXJPPHVCTF-UHFFFAOYSA-N 1 0 147.221 1.939 50 0 in-vitro ADAARO c1ccc(C[NH2+]C2CCOCC2)cc1 20522705 169475918 /nfs/dbraw/zinc/47/59/18/169475918.db2.gz NLTUORBOSAQIDV-UHFFFAOYSA-N 1 0 191.274 1.955 50 0 in-vitro ADAARO c1ccc(CO[C@H]2CCC[NH2+]C2)nc1 19089234 169475942 /nfs/dbraw/zinc/47/59/42/169475942.db2.gz MSMROVSZSSGCHL-NSHDSACASA-N 1 0 192.262 1.350 50 0 in-vitro ADAARO c1ccc(CSC2C[NH2+]C2)cc1 54931746 169476078 /nfs/dbraw/zinc/47/60/78/169476078.db2.gz VVZINLINWYGSTI-UHFFFAOYSA-N 1 0 179.288 1.892 50 0 ADAARO c1ccc(N2CC[C@H]3C[NH2+]C[C@H]32)cc1 101266710 169476127 /nfs/dbraw/zinc/47/61/27/169476127.db2.gz LCNJZWFCHJIHFG-CMPLNLGQSA-N 1 0 188.274 1.485 50 0 ADAARO c1ccc(C[C@H]2CC[NH2+]C2)cc1 14808372 169476205 /nfs/dbraw/zinc/47/62/05/169476205.db2.gz HFBLCYZEOGXHDP-LLVKDONJSA-N 1 0 161.248 1.839 50 0 in-vitro ADAARO c1ccc(C[NH2+][C@@H]2CCOC2)cc1 70962490 169476228 /nfs/dbraw/zinc/47/62/28/169476228.db2.gz FBMSAAPBKKNIEI-LLVKDONJSA-N 1 0 177.247 1.565 50 0 in-vitro ADAARO c1ccc(SCC2C[NH2+]C2)nc1 169726339 169476524 /nfs/dbraw/zinc/47/65/24/169476524.db2.gz YFGICZPSLAAOGX-UHFFFAOYSA-N 1 0 180.276 1.393 50 0 ADAARO c1ccc(OC[C@@H]2CC[NH2+]C2)cc1 14632413 169476590 /nfs/dbraw/zinc/47/65/90/169476590.db2.gz SFQSAOHZCPJACU-SNVBAGLBSA-N 1 0 177.247 1.675 50 0 in-vitro ADAARO c1ccc(NCC2=[NH+]CCN2)cc1 1918 169476623 /nfs/dbraw/zinc/47/66/23/169476623.db2.gz FPZTYKLEJPXTKD-UHFFFAOYSA-N 1 0 175.235 1.100 50 0 in-man ADAARO c1ccc(SC[C@@H]2CCC[NH2+]2)nc1 43497235 169476657 /nfs/dbraw/zinc/47/66/57/169476657.db2.gz XTFVPDZFDWIBDZ-VIFPVBQESA-N 1 0 194.303 1.926 50 0 ADAARO c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 12359824 169476678 /nfs/dbraw/zinc/47/66/78/169476678.db2.gz QDPNIJKUTWDGMV-LLVKDONJSA-N 1 0 177.247 1.817 50 0 in-vitro ADAARO c1ccc(NC[C@@H]2CCC[NH2+]2)cc1 389827 169476776 /nfs/dbraw/zinc/47/67/76/169476776.db2.gz MCHWKJRTMPIHRA-NSHDSACASA-N 1 0 176.263 1.851 50 0 in-vitro ADAARO c1ccc(N[C@H]2CC[NH2+]C2)cc1 4245545 169476891 /nfs/dbraw/zinc/47/68/91/169476891.db2.gz AAFUQJGCJNFFRT-JTQLQIEISA-N 1 0 162.236 1.460 50 0 in-vitro ADAARO c1ccc(S[C@H]2CC[NH2+]C2)nc1 51784034 169477204 /nfs/dbraw/zinc/47/72/04/169477204.db2.gz PHMXZEABNWVEER-QMMMGPOBSA-N 1 0 180.276 1.536 50 0 ADAARO c1ccc(OC[C@@H]2CCC[NH2+]2)cc1 20221581 169477206 /nfs/dbraw/zinc/47/72/06/169477206.db2.gz CVINTVJDIQIIGZ-JTQLQIEISA-N 1 0 177.247 1.817 50 0 in-vitro ADAARO c1ccc(OCC2C[NH2+]C2)cc1 118584238 169477265 /nfs/dbraw/zinc/47/72/65/169477265.db2.gz LBLNHECECZRKOS-UHFFFAOYSA-N 1 0 163.220 1.285 50 0 in-vitro ADAARO c1ccc([C@@H]2COCC[NH2+]2)cc1 2513104 169477744 /nfs/dbraw/zinc/47/77/44/169477744.db2.gz MHZXKVPCJBPNKI-JTQLQIEISA-N 1 0 163.220 1.348 50 0 in-vitro ADAARO c1ccc2[nH]c([C@H]3CCC[NH2+]3)nc2c1 572721 169477887 /nfs/dbraw/zinc/47/78/87/169477887.db2.gz FHGVBMUGKDNVNB-SNVBAGLBSA-N 1 0 187.246 1.987 50 0 in-vitro ADAARO c1ccc2c(c1)C[C@H]1[NH2+]CCCO[C@H]21 35598715 169478606 /nfs/dbraw/zinc/47/86/06/169478606.db2.gz JQSNWNLLAMPUIE-VXGBXAGGSA-N 1 0 189.258 1.662 50 0 ADAARO c1ccc2c(c1)C[C@@H]1OCC[NH2+][C@H]21 75565484 169478613 /nfs/dbraw/zinc/47/86/13/169478613.db2.gz HEDFREPCAHJLOR-WDEREUQCSA-N 1 0 175.231 1.272 50 0 ADAARO c1ccc2c(c1)CC([NH2+]C1CC1)C2 35657807 169478692 /nfs/dbraw/zinc/47/86/92/169478692.db2.gz GOLWZRKUWXJVNC-UHFFFAOYSA-N 1 0 173.259 1.906 50 0 in-vitro ADAARO c1ccc2c(c1)C[C@H]1C[NH2+]CCCN21 138781610 169478780 /nfs/dbraw/zinc/47/87/80/169478780.db2.gz KWCXBDNAWJYLHS-NSHDSACASA-N 1 0 188.274 1.411 50 0 in-vitro ADAARO c1ccc2c(c1)CC1(CCC[NH2+]1)C2 143450691 169479104 /nfs/dbraw/zinc/47/91/04/169479104.db2.gz WFZPZHXVHKEVAZ-UHFFFAOYSA-N 1 0 173.259 1.907 50 0 in-vitro ADAARO c1ccc2c(c1)CO[C@]21CC[NH2+]C1 95883583 169479111 /nfs/dbraw/zinc/47/91/11/169479111.db2.gz CFCYRDQMSMOQMZ-NSHDSACASA-N 1 0 175.231 1.405 50 0 in-vitro ADAARO c1ccc2c(c1)CCN(C1C[NH2+]C1)C2 54931375 169479128 /nfs/dbraw/zinc/47/91/28/169479128.db2.gz VLICTZOMWSSISN-UHFFFAOYSA-N 1 0 188.274 1.017 50 0 ADAARO c1ccc2c(c1)C[C@H](C[NH2+]C1CC1)O2 36947952 169479259 /nfs/dbraw/zinc/47/92/59/169479259.db2.gz OEJPZVWTFLXFDN-LLVKDONJSA-N 1 0 189.258 1.742 50 0 in-vitro ADAARO c1ccc2c(c1)CCCC21C[NH2+]C1 196367627 169479324 /nfs/dbraw/zinc/47/93/24/169479324.db2.gz SNAGUUAVKYHINQ-UHFFFAOYSA-N 1 0 173.259 1.864 50 0 ADAARO c1ccc2c3c([nH]c2c1)CC[NH2+]C3 19228212 169479722 /nfs/dbraw/zinc/47/97/22/169479722.db2.gz RPROHCOBMVQVIV-UHFFFAOYSA-N 1 0 172.231 1.814 50 0 biogenic,in-vivo ADAARO c1ccc2c(c1)ncn2[C@@H]1CC[NH2+]C1 51783679 169479752 /nfs/dbraw/zinc/47/97/52/169479752.db2.gz MAECDRNAUKPMLA-SECBINFHSA-N 1 0 187.246 1.571 50 0 in-vitro ADAARO c1ccc2c(c1)N[C@H]1C[NH2+]CC[C@@H]21 34567546 169480214 /nfs/dbraw/zinc/48/02/14/169480214.db2.gz DWPAWEOVWCYOAE-ONGXEEELSA-N 1 0 174.247 1.558 50 0 ADAARO c1ccc2c3c([nH]c2c1)CC[NH2+]CC3 2018608 169480221 /nfs/dbraw/zinc/48/02/21/169480221.db2.gz NGUNYFTXLWTSNC-UHFFFAOYSA-N 1 0 186.258 1.856 50 0 in-vitro ADAARO c1ccc2c(c1)NCC21CC[NH2+]CC1 36437097 169480446 /nfs/dbraw/zinc/48/04/46/169480446.db2.gz JHMKGUPCKJSSEF-UHFFFAOYSA-N 1 0 188.274 1.733 50 0 in-vitro ADAARO c1ccc2nn([C@@H]3CC[NH2+]C3)cc2c1 95347909 169480926 /nfs/dbraw/zinc/48/09/26/169480926.db2.gz NWUKPFQBZMIMIC-SNVBAGLBSA-N 1 0 187.246 1.571 50 0 in-vitro ADAARO c1ccn([C@H]2CCC[NH2+]C2)c1 70950604 169480928 /nfs/dbraw/zinc/48/09/28/169480928.db2.gz MSVVJUQLGSKKPB-VIFPVBQESA-N 1 0 150.225 1.413 50 0 in-vitro ADAARO c1ccn([C@H]2CC[NH2+]C2)c1 52094074 169481038 /nfs/dbraw/zinc/48/10/38/169481038.db2.gz PXKNZBSAJCNQBN-QMMMGPOBSA-N 1 0 136.198 1.023 50 0 ADAARO c1cnc(C[C@H]2CCC[NH2+]C2)nc1 72344186 169482075 /nfs/dbraw/zinc/48/20/75/169482075.db2.gz UPRVDXUSSMRSEP-SECBINFHSA-N 1 0 177.251 1.019 50 0 ADAARO c1cnc(C[C@@H]2CCC[NH2+]C2)nc1 72344185 169482372 /nfs/dbraw/zinc/48/23/72/169482372.db2.gz UPRVDXUSSMRSEP-VIFPVBQESA-N 1 0 177.251 1.019 50 0 ADAARO c1cnc2n[nH]c([C@@H]3CC[NH2+]C3)c2c1 19686675 169483149 /nfs/dbraw/zinc/48/31/49/169483149.db2.gz XJNQDYAAQMXYGZ-SSDOTTSWSA-N 1 0 188.234 1.035 50 0 ADAARO c1cnn(CC[C@H]2CCCC[NH2+]2)c1 19089476 169484479 /nfs/dbraw/zinc/48/44/79/169484479.db2.gz QDMVKNSVSMEHPF-SNVBAGLBSA-N 1 0 179.267 1.415 50 0 in-vitro ADAARO c1cncc(O[C@@H]2CCC[NH2+]C2)c1 13704014 169484507 /nfs/dbraw/zinc/48/45/07/169484507.db2.gz GHJPZQCAVQYABA-SNVBAGLBSA-N 1 0 178.235 1.212 50 0 in-vitro ADAARO c1cnn(CC[C@@H]2CCCC[NH2+]2)c1 19089473 169484561 /nfs/dbraw/zinc/48/45/61/169484561.db2.gz QDMVKNSVSMEHPF-JTQLQIEISA-N 1 0 179.267 1.415 50 0 in-vitro ADAARO c1coc([C@H]2CCC[NH2+]2)c1 3732225 169485254 /nfs/dbraw/zinc/48/52/54/169485254.db2.gz LIFJPSLQRGQNMM-SSDOTTSWSA-N 1 0 137.182 1.704 50 0 endogenous,in-man ADAARO c1csc([C@@H]2CCC[NH2+]C2)n1 11632016 169486136 /nfs/dbraw/zinc/48/61/36/169486136.db2.gz JWDOZKWLXFFMAK-SSDOTTSWSA-N 1 0 168.265 1.610 50 0 in-vitro ADAARO c1csc(C[C@@H]2CCC[NH2+]C2)n1 11884089 169486906 /nfs/dbraw/zinc/48/69/06/169486906.db2.gz OVWNJEPOYONWQI-QMMMGPOBSA-N 1 0 182.292 1.685 50 0 ADAARO c1nc(COC[C@@H]2CC[NH2+]C2)cs1 51888122 169488375 /nfs/dbraw/zinc/48/83/75/169488375.db2.gz WXDLOWXXTGAVSQ-MRVPVSSYSA-N 1 0 198.291 1.269 50 0 ADAARO c1ncc([C@H]2CCC[NH2+]2)o1 82837131 169488709 /nfs/dbraw/zinc/48/87/09/169488709.db2.gz JUNSQLOOJDIGAY-ZCFIWIBFSA-N 1 0 138.170 1.099 50 0 ADAARO c1nnc(C2CC[NH2+]CC2)n1C1CC1 26472012 169491299 /nfs/dbraw/zinc/49/12/99/169491299.db2.gz CHMXTDPZRWMBEC-UHFFFAOYSA-N 1 0 192.266 1.080 50 0 ADAARO [NH3+]C[C@H]1CCc2cc(F)ccc2O1 145700640 344034995 /nfs/dbraw/zinc/03/49/95/344034995.db2.gz IYPVOSGPLOGNNR-SECBINFHSA-N 1 0 181.210 1.478 50 0 ADAARO [NH3+]Cc1ccc2c3c(cccc13)C(=O)N2 65137 170990766 /nfs/dbraw/zinc/99/07/66/170990766.db2.gz IFBQILXPMNUJTD-UHFFFAOYSA-N 1 0 198.225 1.864 50 0 ADAARO [NH3+]C12C[C@@H]3C[C@H](C1)CC(O)(C3)C2 301205 170993325 /nfs/dbraw/zinc/99/33/25/170993325.db2.gz DWPIPTNBOVJYAD-BQKDNTBBSA-N 1 0 167.252 1.029 50 0 in-vitro ADAARO CC[n+]1ccnc2cc(F)c(F)cc21 510420 170995151 /nfs/dbraw/zinc/99/51/51/170995151.db2.gz UIAXETVIWJRDON-UHFFFAOYSA-N 1 0 195.192 1.820 50 0 ADAARO C[n+]1ccc2ccccc2c1 967298 170996029 /nfs/dbraw/zinc/99/60/29/170996029.db2.gz ZONQVNWUCWMRBX-UHFFFAOYSA-N 1 0 144.197 1.664 50 0 ADAARO [NH3+]C12CC3CC(CC(C3)C1)C2 968256 170996164 /nfs/dbraw/zinc/99/61/64/170996164.db2.gz DKNWSYNQZKUICI-UHFFFAOYSA-N 1 0 151.253 1.914 50 0 fda ADAARO Cc1ccccc1C(N)=[NH2+] 1439402 170997054 /nfs/dbraw/zinc/99/70/54/170997054.db2.gz GLPDBPGNFRRABU-UHFFFAOYSA-N 1 0 134.182 1.279 50 0 in-vitro ADAARO CC[NH+](CC)CCC(C)=O 1646247 170998832 /nfs/dbraw/zinc/99/88/32/170998832.db2.gz XLEOCTUCGZANAC-UHFFFAOYSA-N 1 0 143.230 1.307 50 0 in-vitro ADAARO c1csc(CC2=[NH+]CCN2)c1 1681366 171000192 /nfs/dbraw/zinc/00/01/92/171000192.db2.gz LVXCKUQRWYCXOL-UHFFFAOYSA-N 1 0 166.249 1.292 50 0 ADAARO C[C@H]1CC[C@@H](C)[NH2+]1 1681220 171000528 /nfs/dbraw/zinc/00/05/28/171000528.db2.gz ZEBFPAXSQXIPNF-OLQVQODUSA-N 1 0 99.177 1.147 50 0 in-vitro ADAARO c1c2c(cc3c1OCO3)C[NH2+]CC2 1703999 171001583 /nfs/dbraw/zinc/00/15/83/171001583.db2.gz JHLDJOBIUVJSTG-UHFFFAOYSA-N 1 0 177.203 1.061 50 0 in-vitro ADAARO COc1ccccc1[C@@H](C)C[NH3+] 1712540 171001658 /nfs/dbraw/zinc/00/16/58/171001658.db2.gz OSTZPSFPBMRGRP-QMMMGPOBSA-N 1 0 165.236 1.757 50 0 in-vitro ADAARO [NH3+]CC1(O)C2CC3CC(C2)CC1C3 1728298 171002070 /nfs/dbraw/zinc/00/20/70/171002070.db2.gz KTBCLFLXXIIDQR-UHFFFAOYSA-N 1 0 181.279 1.132 50 0 in-vitro ADAARO [NH3+]C12CCC(CC1)C2 1720138 171002354 /nfs/dbraw/zinc/00/23/54/171002354.db2.gz VUFQYRAKSQTZEB-UHFFFAOYSA-N 1 0 111.188 1.278 50 0 ADAARO [NH3+]CC1(c2ccccc2)CC1 1845507 171002546 /nfs/dbraw/zinc/00/25/46/171002546.db2.gz FUEMGCALFIHXAS-UHFFFAOYSA-N 1 0 147.221 1.677 50 0 in-vitro ADAARO C[NH+](C)CCOc1ccccc1 2019618 171003542 /nfs/dbraw/zinc/00/35/42/171003542.db2.gz RUHVDRGWCIAFLG-UHFFFAOYSA-N 1 0 165.236 1.627 50 0 in-vitro ADAARO COc1ccccc1OCC[NH3+] 2025135 171003718 /nfs/dbraw/zinc/00/37/18/171003718.db2.gz CKJRKLKVCHMWLV-UHFFFAOYSA-N 1 0 167.208 1.033 50 0 in-vitro ADAARO Oc1ccc(N2CCCC2)cc1 2004523 171003777 /nfs/dbraw/zinc/00/37/77/171003777.db2.gz UUIJPHGPERPMIF-UHFFFAOYSA-N 1 0 163.220 1.992 50 0 in-vitro ADAARO [NH3+]C/C=C/c1ccccc1 2037916 171004272 /nfs/dbraw/zinc/00/42/72/171004272.db2.gz RDAFNSMYPSHCBK-QPJJXVBHSA-N 1 0 133.194 1.659 50 0 in-vitro ADAARO CC[n+]1ccc(C)cc1 2156564 171004789 /nfs/dbraw/zinc/00/47/89/171004789.db2.gz WMHWQEPQRZIOCT-UHFFFAOYSA-N 1 0 122.191 1.302 50 0 in-vitro ADAARO CC[n+]1cccc(C)c1 2156562 171005144 /nfs/dbraw/zinc/00/51/44/171005144.db2.gz REITYCXGQIGALX-UHFFFAOYSA-N 1 0 122.191 1.302 50 0 in-vitro ADAARO c1ccc([C@@H]2CC[NH2+]C2)nc1 2386729 171005428 /nfs/dbraw/zinc/00/54/28/171005428.db2.gz STXABSODTGKUAK-MRVPVSSYSA-N 1 0 148.209 1.159 50 0 in-vitro ADAARO CC[n+]1cn(C)c2ccccc21 2388873 171005631 /nfs/dbraw/zinc/00/56/31/171005631.db2.gz LVZGLAIUMAWQSN-UHFFFAOYSA-N 1 0 161.228 1.486 50 0 ADAARO c1ccc([C@@H]2CCC[NH2+]2)nc1 2383106 171005757 /nfs/dbraw/zinc/00/57/57/171005757.db2.gz NDCZQFDBSPOUDF-VIFPVBQESA-N 1 0 148.209 1.506 50 0 in-vitro ADAARO c1ccc(CC2CC[NH2+]CC2)nc1 2513146 171005977 /nfs/dbraw/zinc/00/59/77/171005977.db2.gz AXARRSLNCQTCDG-UHFFFAOYSA-N 1 0 176.263 1.624 50 0 ADAARO CNc1ccc(C[NH3+])cc1 2524626 171006035 /nfs/dbraw/zinc/00/60/35/171006035.db2.gz IEBOWSYQQIAQHO-UHFFFAOYSA-N 1 0 136.198 1.187 50 0 in-vitro ADAARO c1cc(CC2CC[NH2+]CC2)ccn1 2513148 171006040 /nfs/dbraw/zinc/00/60/40/171006040.db2.gz IZGBPYJZRFCEDQ-UHFFFAOYSA-N 1 0 176.263 1.624 50 0 in-vitro ADAARO c1cncc(CC2CC[NH2+]CC2)c1 2513147 171006162 /nfs/dbraw/zinc/00/61/62/171006162.db2.gz KKZYSWQNXOXYBD-UHFFFAOYSA-N 1 0 176.263 1.624 50 0 in-vitro ADAARO CC(C)(C)SCC[NH3+] 2510156 171006256 /nfs/dbraw/zinc/00/62/56/171006256.db2.gz NXALBHIRLFDURB-UHFFFAOYSA-N 1 0 133.260 1.477 50 0 in-vitro ADAARO [NH3+]Cc1ccc2nsnc2c1 2548628 171006600 /nfs/dbraw/zinc/00/66/00/171006600.db2.gz URBXYCAJWJKVEC-UHFFFAOYSA-N 1 0 165.221 1.150 50 0 ADAARO COc1ccccc1C[C@H]1CC[NH2+]C1 2529107 171006666 /nfs/dbraw/zinc/00/66/66/171006666.db2.gz UROIFXYGKPQQPA-SNVBAGLBSA-N 1 0 191.274 1.847 50 0 in-vitro ADAARO COc1ccccc1NC(N)=[NH2+] 2526902 171006714 /nfs/dbraw/zinc/00/67/14/171006714.db2.gz JBCJSIFICXITCD-UHFFFAOYSA-N 1 0 165.196 1.001 50 0 in-vitro ADAARO [NH3+]Cc1ccc2ncsc2c1 2548438 171006838 /nfs/dbraw/zinc/00/68/38/171006838.db2.gz FCGXLCNBWYIEAA-UHFFFAOYSA-N 1 0 164.233 1.755 50 0 ADAARO OC1(c2ccccc2F)CC[NH2+]CC1 2545020 171006842 /nfs/dbraw/zinc/00/68/42/171006842.db2.gz CZSXGDMJPLTNTC-UHFFFAOYSA-N 1 0 195.237 1.397 50 0 ADAARO CCCCCC(N)=[NH2+] 2547304 171006866 /nfs/dbraw/zinc/00/68/66/171006866.db2.gz XZSXCKGIKBUXEN-UHFFFAOYSA-N 1 0 114.192 1.503 50 0 ADAARO c1cncc(C[C@H]2CCC[NH2+]C2)c1 2529115 171006906 /nfs/dbraw/zinc/00/69/06/171006906.db2.gz RQPORSMWGTWDPN-LLVKDONJSA-N 1 0 176.263 1.624 50 0 in-vitro ADAARO CCCC[n+]1ccccc1 2528007 171006909 /nfs/dbraw/zinc/00/69/09/171006909.db2.gz REACWASHYHDPSQ-UHFFFAOYSA-N 1 0 136.218 1.774 50 0 in-vitro ADAARO Oc1ccc(C[C@H]2CCC[NH2+]C2)cc1 2555473 171007342 /nfs/dbraw/zinc/00/73/42/171007342.db2.gz VJHMLHKDZVTNDZ-LLVKDONJSA-N 1 0 191.274 1.934 50 0 in-vitro ADAARO Oc1cccc(CC2CC[NH2+]CC2)c1 2555443 171007345 /nfs/dbraw/zinc/00/73/45/171007345.db2.gz URJVOAQPKQPTIP-UHFFFAOYSA-N 1 0 191.274 1.934 50 0 in-vitro ADAARO Oc1ccc(CC2CC[NH2+]CC2)cc1 2555442 171007377 /nfs/dbraw/zinc/00/73/77/171007377.db2.gz GHBKSHYCSYZXOW-UHFFFAOYSA-N 1 0 191.274 1.934 50 0 in-vitro ADAARO Oc1cccc(C2CC[NH2+]CC2)c1 2576975 171008016 /nfs/dbraw/zinc/00/80/16/171008016.db2.gz FINLIMGQGJZNRN-UHFFFAOYSA-N 1 0 177.247 1.859 50 0 in-vitro ADAARO Cc1ccccc1CC[NH3+] 2574338 171008129 /nfs/dbraw/zinc/00/81/29/171008129.db2.gz OWOUKRYOZIZVFK-UHFFFAOYSA-N 1 0 135.210 1.496 50 0 in-vitro ADAARO c1ccc([C@@H]2CCCC[NH2+]2)nc1 2577423 171008184 /nfs/dbraw/zinc/00/81/84/171008184.db2.gz KXRQQPIHUMSJSS-JTQLQIEISA-N 1 0 162.236 1.896 50 0 in-vitro ADAARO FC(F)(F)[C@@H]1CCC[NH2+]C1 2578101 171008300 /nfs/dbraw/zinc/00/83/00/171008300.db2.gz JOHFJTBDUSVGQB-RXMQYKEDSA-N 1 0 153.147 1.548 50 0 in-vitro ADAARO CCCCCCC(N)=[NH2+] 2580856 171008386 /nfs/dbraw/zinc/00/83/86/171008386.db2.gz KLBRPIROFDXFMB-UHFFFAOYSA-N 1 0 128.219 1.893 50 0 ADAARO CN(C)C(=S)SCC[NH+](C)C 2680018 171008582 /nfs/dbraw/zinc/00/85/82/171008582.db2.gz HVUYDYPWOOYDLY-UHFFFAOYSA-N 1 0 192.353 1.128 50 0 ADAARO [NH3+]CC1CCCC1 2598947 171008616 /nfs/dbraw/zinc/00/86/16/171008616.db2.gz UBLYEVLMRSPMOG-UHFFFAOYSA-N 1 0 99.177 1.135 50 0 in-vitro ADAARO [NH3+]Cc1ccc2ccccc2n1 2584853 171008639 /nfs/dbraw/zinc/00/86/39/171008639.db2.gz HGHPGHVNTQSTNM-UHFFFAOYSA-N 1 0 158.204 1.694 50 0 in-vitro ADAARO CN1CCc2c1[nH+]c1c(c2N)CCC1 3212586 171009068 /nfs/dbraw/zinc/00/90/68/171009068.db2.gz BFEKPCAYEKKFIZ-UHFFFAOYSA-N 1 0 189.262 1.145 50 0 ADAARO COc1ccccc1C[C@H]1CCC[NH2+]1 3732307 171009135 /nfs/dbraw/zinc/00/91/35/171009135.db2.gz UXGBCRSPJXTNMD-LLVKDONJSA-N 1 0 191.274 1.990 50 0 in-vitro ADAARO COC(=O)[C@H]1CC[N@@H+]1C1CCCCC1 3179186 171009258 /nfs/dbraw/zinc/00/92/58/171009258.db2.gz FCZVWSJTPLJYSO-SNVBAGLBSA-N 1 0 197.278 1.566 50 0 ADAARO C[n+]1cccc(Br)c1 3165127 171009314 /nfs/dbraw/zinc/00/93/14/171009314.db2.gz HETQOWPCHKBEFO-UHFFFAOYSA-N 1 0 173.033 1.274 50 0 ADAARO COc1ccccc1C[C@@H]1CCC[NH2+]1 3732308 171009502 /nfs/dbraw/zinc/00/95/02/171009502.db2.gz UXGBCRSPJXTNMD-NSHDSACASA-N 1 0 191.274 1.990 50 0 in-vitro ADAARO COC(=O)[C@@H]1CC[N@@H+]1C1CCCCC1 3179187 171009526 /nfs/dbraw/zinc/00/95/26/171009526.db2.gz FCZVWSJTPLJYSO-JTQLQIEISA-N 1 0 197.278 1.566 50 0 ADAARO Cc1ccnc(C[C@@H]2CCC[NH2+]2)c1 3732475 171009567 /nfs/dbraw/zinc/00/95/67/171009567.db2.gz REMFKLANAHEYJF-JTQLQIEISA-N 1 0 176.263 1.685 50 0 in-vitro ADAARO Cc1ccnc(C[C@H]2CCC[NH2+]2)c1 3732474 171009713 /nfs/dbraw/zinc/00/97/13/171009713.db2.gz REMFKLANAHEYJF-SNVBAGLBSA-N 1 0 176.263 1.685 50 0 in-vitro ADAARO CN(C)C(=[NH2+])c1ccc(N(C)C)cc1 3163598 171009770 /nfs/dbraw/zinc/00/97/70/171009770.db2.gz VKMFLMGVGNCXLQ-UHFFFAOYSA-N 1 0 191.278 1.640 50 0 ADAARO [NH3+]Cc1ccc2ncccc2c1 4202970 171010761 /nfs/dbraw/zinc/01/07/61/171010761.db2.gz RZIPENSSTUBRAA-UHFFFAOYSA-N 1 0 158.204 1.694 50 0 in-vitro ADAARO Cc1ccccc1OCC[NH3+] 4072781 171010766 /nfs/dbraw/zinc/01/07/66/171010766.db2.gz DXYUDCFZHJXQQR-UHFFFAOYSA-N 1 0 151.209 1.333 50 0 in-vitro ADAARO [NH3+]C12C[C@@H]3CC1C[C@@H](C3)C2 4072773 171010773 /nfs/dbraw/zinc/01/07/73/171010773.db2.gz NGGRFWRIBLQVEP-QPIHLSAKSA-N 1 0 137.226 1.524 50 0 ADAARO c1cncc(CNC2=[NH+]CCC2)c1 4058635 171010851 /nfs/dbraw/zinc/01/08/51/171010851.db2.gz WMAGFXFVIMTYTR-UHFFFAOYSA-N 1 0 175.235 1.364 50 0 ADAARO [NH3+]CC(=O)Nc1ccccc1Cl 4201703 171010907 /nfs/dbraw/zinc/01/09/07/171010907.db2.gz GUHAQLQDNVNMJR-UHFFFAOYSA-N 1 0 184.626 1.237 50 0 ADAARO [NH3+]CC(=O)Nc1ccc(Cl)cc1 4201699 171011165 /nfs/dbraw/zinc/01/11/65/171011165.db2.gz YIHYLHDNACLWOX-UHFFFAOYSA-N 1 0 184.626 1.237 50 0 in-vitro ADAARO CC(C)(C)[C@@H]([NH3+])Cn1cccn1 4127194 171011171 /nfs/dbraw/zinc/01/11/71/171011171.db2.gz UCFRIJLZCCWFHR-QMMMGPOBSA-N 1 0 167.256 1.257 50 0 in-vitro ADAARO [NH3+]Cc1ccc2c(c1)CCC2 4202954 171011241 /nfs/dbraw/zinc/01/12/41/171011241.db2.gz JJVNSSFYOJOECV-UHFFFAOYSA-N 1 0 147.221 1.634 50 0 in-vitro ADAARO CC(C)c1ccccc1NC(=O)C[NH3+] 4201710 171011276 /nfs/dbraw/zinc/01/12/76/171011276.db2.gz SJPAKDGOHSOCNP-UHFFFAOYSA-N 1 0 192.262 1.707 50 0 ADAARO O[C@@H](C[NH2+]C1CCCC1)C(F)(F)F 4050521 171011395 /nfs/dbraw/zinc/01/13/95/171011395.db2.gz FAKWNOGFHXWHFU-ZETCQYMHSA-N 1 0 197.200 1.442 50 0 ADAARO COc1ccc(N[C@@H]2CC[NH2+]C2)cc1 4245542 171011707 /nfs/dbraw/zinc/01/17/07/171011707.db2.gz OUVAGPWMGIUJDW-SNVBAGLBSA-N 1 0 192.262 1.469 50 0 ADAARO COc1ccccc1OCCC[NH3+] 4299011 171011877 /nfs/dbraw/zinc/01/18/77/171011877.db2.gz JGYVHBXLANTDMO-UHFFFAOYSA-N 1 0 181.235 1.423 50 0 in-vitro ADAARO [NH3+]Cc1ccc2c(c1)OCCCO2 4271795 171011907 /nfs/dbraw/zinc/01/19/07/171011907.db2.gz MCHQABHXBPYZCT-UHFFFAOYSA-N 1 0 179.219 1.307 50 0 in-vitro ADAARO COc1ccc(N[C@H]2CC[NH2+]C2)cc1 4245543 171012042 /nfs/dbraw/zinc/01/20/42/171012042.db2.gz OUVAGPWMGIUJDW-JTQLQIEISA-N 1 0 192.262 1.469 50 0 ADAARO Cc1ccccc1OCCC[NH3+] 4299013 171012248 /nfs/dbraw/zinc/01/22/48/171012248.db2.gz HQOJWFLRPSWMBC-UHFFFAOYSA-N 1 0 165.236 1.723 50 0 in-vitro ADAARO C[C@H]1CC[C@@H](C)C[C@H]1[NH3+] 4536509 171012652 /nfs/dbraw/zinc/01/26/52/171012652.db2.gz JDDGZKNTHGVZTQ-GJMOJQLCSA-N 1 0 127.231 1.770 50 0 ADAARO [NH3+]C/C=C\c1ccccc1 4532762 171012914 /nfs/dbraw/zinc/01/29/14/171012914.db2.gz RDAFNSMYPSHCBK-DAXSKMNVSA-N 1 0 133.194 1.659 50 0 ADAARO COc1ccccc1OCC(N)=[NH2+] 4384374 171013091 /nfs/dbraw/zinc/01/30/91/171013091.db2.gz SWOXIQXJHPYCAV-UHFFFAOYSA-N 1 0 180.207 1.010 50 0 in-vitro ADAARO CC1(C)COCC(C)(C)[NH2+]1 4503569 171013140 /nfs/dbraw/zinc/01/31/40/171013140.db2.gz YCSHCQUVDDBCFR-UHFFFAOYSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO COc1ccccc1CCC[NH3+] 4511217 171013223 /nfs/dbraw/zinc/01/32/23/171013223.db2.gz BRVUZJVOHZQUSX-UHFFFAOYSA-N 1 0 165.236 1.587 50 0 in-vitro ADAARO Cc1ccc2[nH]c(CCC[NH3+])nc2c1 4385482 171013236 /nfs/dbraw/zinc/01/32/36/171013236.db2.gz VODKOVJAIAVEJZ-UHFFFAOYSA-N 1 0 189.262 1.763 50 0 in-vitro ADAARO O=Cc1cccn1-c1cc[nH+]cc1 4384455 171013280 /nfs/dbraw/zinc/01/32/80/171013280.db2.gz SHQQYLBZQFXVFW-UHFFFAOYSA-N 1 0 172.187 1.685 50 0 in-vitro ADAARO O[C@@H](C[NH+]1CCCC1)c1ccccc1 4334808 171013284 /nfs/dbraw/zinc/01/32/84/171013284.db2.gz FHBPYEQRIDZSBP-LBPRGKRZSA-N 1 0 191.274 1.816 50 0 ADAARO CC(C)(C)[C@@H]([NH3+])Cn1ccnc1 4635038 171013708 /nfs/dbraw/zinc/01/37/08/171013708.db2.gz LBMYOBPKNFXLIA-QMMMGPOBSA-N 1 0 167.256 1.257 50 0 in-vitro ADAARO C=CSCC[NH+](C)C 4576848 171013718 /nfs/dbraw/zinc/01/37/18/171013718.db2.gz CBRXCJKZQIQWEG-UHFFFAOYSA-N 1 0 131.244 1.425 50 0 ADAARO OC1(c2ccccc2)CC[NH2+]CC1 4804219 171014188 /nfs/dbraw/zinc/01/41/88/171014188.db2.gz KQKFQBTWXOGINC-UHFFFAOYSA-N 1 0 177.247 1.258 50 0 in-vitro ADAARO COc1ccccc1CC(N)=[NH2+] 5066796 171014454 /nfs/dbraw/zinc/01/44/54/171014454.db2.gz RMABASQGRHLSLW-UHFFFAOYSA-N 1 0 164.208 1.174 50 0 ADAARO c1c[nH]c(C2=[NH+]CCC2)c1 4900695 171014530 /nfs/dbraw/zinc/01/45/30/171014530.db2.gz DTZKPTFBAXPYOT-UHFFFAOYSA-N 1 0 134.182 1.598 50 0 ADAARO Cc1ccc2[nH]c(=O)c(C[NH3+])cc2c1 4902053 171014835 /nfs/dbraw/zinc/01/48/35/171014835.db2.gz FMXMFMXSJFZSSB-UHFFFAOYSA-N 1 0 188.230 1.295 50 0 ADAARO c1cc(C[NH+]2CCCC2)ccn1 4981836 171014978 /nfs/dbraw/zinc/01/49/78/171014978.db2.gz HFPXKSASPJFSOR-UHFFFAOYSA-N 1 0 162.236 1.677 50 0 ADAARO COc1ccccc1C[C@@H](C)[NH3+] 4957092 171015055 /nfs/dbraw/zinc/01/50/55/171015055.db2.gz VBAHFEPKESUPDE-MRVPVSSYSA-N 1 0 165.236 1.585 50 0 in-vivo ADAARO [NH3+]CC1=CCCCC1 5133568 171015577 /nfs/dbraw/zinc/01/55/77/171015577.db2.gz AYQJCDBGGILQIZ-UHFFFAOYSA-N 1 0 111.188 1.446 50 0 in-vitro ADAARO C[n+]1ccc(-c2ccc(N)cc2)cc1 5159515 171015754 /nfs/dbraw/zinc/01/57/54/171015754.db2.gz QHYLCANOPQWQFG-UHFFFAOYSA-O 1 0 185.250 1.760 50 0 ADAARO C[n+]1ccc(-c2ccccn2)cc1 5159517 171015836 /nfs/dbraw/zinc/01/58/36/171015836.db2.gz KAWXKAQBKKZFJC-UHFFFAOYSA-N 1 0 171.223 1.573 50 0 ADAARO [NH3+]CC1CCCCCC1 5189168 171016249 /nfs/dbraw/zinc/01/62/49/171016249.db2.gz CAOQEOHEZKVYOJ-UHFFFAOYSA-N 1 0 127.231 1.916 50 0 in-vitro ADAARO CO[n+]1cccc2ccccc21 5356732 171016534 /nfs/dbraw/zinc/01/65/34/171016534.db2.gz DHEAFFQHPYCHOO-UHFFFAOYSA-N 1 0 160.196 1.186 50 0 ADAARO CCOC(=O)C[C@@H]([NH3+])c1cccs1 5180017 171016572 /nfs/dbraw/zinc/01/65/72/171016572.db2.gz XYBONARLWNRZCA-SSDOTTSWSA-N 1 0 199.275 1.701 50 0 in-vitro ADAARO C[NH+](C)CCOc1ccc(C=O)cc1 5689036 171017220 /nfs/dbraw/zinc/01/72/20/171017220.db2.gz CBOKAZFQZOQTOC-UHFFFAOYSA-N 1 0 193.246 1.440 50 0 in-vitro ADAARO CCOC(=O)C[C@@H]1CCCC[NH2+]1 5734831 171017950 /nfs/dbraw/zinc/01/79/50/171017950.db2.gz SEJLPOWVAACXJQ-QMMMGPOBSA-N 1 0 171.240 1.082 50 0 in-vitro ADAARO Cc1ccccc1C[C@H](C)[NH3+] 6071881 171019369 /nfs/dbraw/zinc/01/93/69/171019369.db2.gz ZEMQBDFHXOOXLY-VIFPVBQESA-N 1 0 149.237 1.885 50 0 in-man ADAARO c1cncc(C[C@H]2CCC[NH2+]2)c1 6079921 171019710 /nfs/dbraw/zinc/01/97/10/171019710.db2.gz GFYJSFUVPAUKJA-SNVBAGLBSA-N 1 0 162.236 1.376 50 0 in-vitro ADAARO c1cncc(C[C@@H]2CCC[NH2+]2)c1 6079920 171019766 /nfs/dbraw/zinc/01/97/66/171019766.db2.gz GFYJSFUVPAUKJA-JTQLQIEISA-N 1 0 162.236 1.376 50 0 in-vitro ADAARO [NH3+]C1(Cc2ccccc2)CC1 6096117 171019930 /nfs/dbraw/zinc/01/99/30/171019930.db2.gz GEQRCQKFLCJFEC-UHFFFAOYSA-N 1 0 147.221 1.720 50 0 in-vitro ADAARO c1cncc(C2CC[NH2+]CC2)c1 6276613 171019979 /nfs/dbraw/zinc/01/99/79/171019979.db2.gz BRBPGGIIQVBPSB-UHFFFAOYSA-N 1 0 162.236 1.549 50 0 ADAARO C[NH+](C)CCOc1ccccc1C=O 6681927 171020200 /nfs/dbraw/zinc/02/02/00/171020200.db2.gz TWMYSXRSVLFCGX-UHFFFAOYSA-N 1 0 193.246 1.440 50 0 ADAARO [NH3+]C1CCN(Cc2cccnc2)CC1 6677799 171020328 /nfs/dbraw/zinc/02/03/28/171020328.db2.gz MSXJQLZTWITCEC-UHFFFAOYSA-N 1 0 191.278 1.005 50 0 in-vitro ADAARO c1cncc(C[C@H]2CC[NH2+]C2)c1 6615381 171020366 /nfs/dbraw/zinc/02/03/66/171020366.db2.gz KZXRUDMXYZAZKU-SNVBAGLBSA-N 1 0 162.236 1.234 50 0 in-vitro ADAARO CN1CCC([NH2+]C2CCCC2)CC1 6420380 171020388 /nfs/dbraw/zinc/02/03/88/171020388.db2.gz FVIRZNRVKWLYJB-UHFFFAOYSA-N 1 0 182.311 1.613 50 0 in-vitro ADAARO Cc1ccc2[nH]c(C[NH3+])nc2c1 6677820 171020516 /nfs/dbraw/zinc/02/05/16/171020516.db2.gz DTGZSWYLXQOOPV-UHFFFAOYSA-N 1 0 161.208 1.330 50 0 in-vitro ADAARO C[NH+](C)CCOc1ccccc1N 6678078 171020561 /nfs/dbraw/zinc/02/05/61/171020561.db2.gz OHDPNHWSANKRNF-UHFFFAOYSA-N 1 0 180.251 1.209 50 0 in-vitro ADAARO [NH3+]CC1(c2ccccc2)CCOCC1 6658401 171020720 /nfs/dbraw/zinc/02/07/20/171020720.db2.gz IPYDNTFWMDEOBW-UHFFFAOYSA-N 1 0 191.274 1.694 50 0 in-vitro ADAARO c1cncc(C[C@@H]2CC[NH2+]C2)c1 6615379 171020838 /nfs/dbraw/zinc/02/08/38/171020838.db2.gz KZXRUDMXYZAZKU-JTQLQIEISA-N 1 0 162.236 1.234 50 0 in-vitro ADAARO Oc1ccc(C2=CC[NH2+]CC2)cc1 7786505 171021468 /nfs/dbraw/zinc/02/14/68/171021468.db2.gz KNEGDCIGZXOTBG-UHFFFAOYSA-N 1 0 175.231 1.769 50 0 in-vitro ADAARO COc1ccccc1C[NH2+]C1CC1 8496009 171021481 /nfs/dbraw/zinc/02/14/81/171021481.db2.gz GOOPSPCKQDXAKN-UHFFFAOYSA-N 1 0 177.247 1.947 50 0 in-vitro ADAARO C[NH+](C)CCOc1cccc(C=O)c1 9261358 171022018 /nfs/dbraw/zinc/02/20/18/171022018.db2.gz QNVOGNNUHYBUHI-UHFFFAOYSA-N 1 0 193.246 1.440 50 0 in-vitro ADAARO [NH3+]C1(c2ccc(F)cc2)CC1 8737727 171022119 /nfs/dbraw/zinc/02/21/19/171022119.db2.gz JZDJCPUJSHPOJP-UHFFFAOYSA-N 1 0 151.184 1.774 50 0 in-vitro ADAARO Oc1ccc(C2CC[NH2+]CC2)cc1 8855838 171022149 /nfs/dbraw/zinc/02/21/49/171022149.db2.gz ZDEWVCFSCQUKTE-UHFFFAOYSA-N 1 0 177.247 1.859 50 0 in-vitro ADAARO Cc1ccccc1NC(=O)CC[NH3+] 8732980 171022267 /nfs/dbraw/zinc/02/22/67/171022267.db2.gz PSQUNFLUKZJFHW-UHFFFAOYSA-N 1 0 178.235 1.282 50 0 in-vitro ADAARO c1ccc(CC[NH2+]C2CC2)cc1 10475297 171023310 /nfs/dbraw/zinc/02/33/10/171023310.db2.gz ILHIZUJWNGLALK-UHFFFAOYSA-N 1 0 161.248 1.981 50 0 ADAARO c1csc(C2CC[NH2+]CC2)n1 11632065 171023462 /nfs/dbraw/zinc/02/34/62/171023462.db2.gz GSIVGTATVPTMSM-UHFFFAOYSA-N 1 0 168.265 1.610 50 0 in-vitro ADAARO [NH3+]C1CCN(Cc2cccs2)CC1 11729460 171023476 /nfs/dbraw/zinc/02/34/76/171023476.db2.gz NQQVCDIEQDMPOD-UHFFFAOYSA-N 1 0 196.319 1.671 50 0 in-vitro ADAARO Cc1ccccc1[C@@H]1C[NH2+]CCO1 11802997 171023493 /nfs/dbraw/zinc/02/34/93/171023493.db2.gz JYEGQCCVQLJHSJ-NSHDSACASA-N 1 0 177.247 1.656 50 0 in-vitro ADAARO [NH3+]C1(c2ccccc2)CCOCC1 11833286 171023503 /nfs/dbraw/zinc/02/35/03/171023503.db2.gz FOYWQFRQKUWGJH-UHFFFAOYSA-N 1 0 177.247 1.651 50 0 in-vitro ADAARO COc1ccccc1C(C)(C)C[NH3+] 11833661 171023571 /nfs/dbraw/zinc/02/35/71/171023571.db2.gz PAOQHTVYCWOFSH-UHFFFAOYSA-N 1 0 179.263 1.932 50 0 in-vitro ADAARO Cc1ccccc1OC[C@H](C)[NH3+] 11849655 171023597 /nfs/dbraw/zinc/02/35/97/171023597.db2.gz AUWZEXMVEMHCAL-VIFPVBQESA-N 1 0 165.236 1.721 50 0 in-vitro ADAARO COc1ccccc1CCCC[NH3+] 11596942 171023699 /nfs/dbraw/zinc/02/36/99/171023699.db2.gz MACWKONDJFBMEY-UHFFFAOYSA-N 1 0 179.263 1.977 50 0 ADAARO COc1ccccc1OC[C@H](C)[NH3+] 11849674 171023747 /nfs/dbraw/zinc/02/37/47/171023747.db2.gz SQKVVYGOXLSEKL-QMMMGPOBSA-N 1 0 181.235 1.421 50 0 in-vitro ADAARO COc1ccc2[nH]c(CC[NH3+])nc2c1 11567884 171023749 /nfs/dbraw/zinc/02/37/49/171023749.db2.gz FBEXKNOXRQGGCX-UHFFFAOYSA-N 1 0 191.234 1.073 50 0 in-vitro ADAARO CCCN(CCC)C(=O)[C@@H]1CCC[NH2+]1 11754541 171023862 /nfs/dbraw/zinc/02/38/62/171023862.db2.gz FXURDCQKEXALKA-JTQLQIEISA-N 1 0 198.310 1.387 50 0 ADAARO COc1ccccc1OC[C@@H](C)[NH3+] 11849673 171023877 /nfs/dbraw/zinc/02/38/77/171023877.db2.gz SQKVVYGOXLSEKL-MRVPVSSYSA-N 1 0 181.235 1.421 50 0 in-vitro ADAARO COc1ccccc1C1(C[NH3+])CC1 11848922 171023988 /nfs/dbraw/zinc/02/39/88/171023988.db2.gz DSYOQJSRKVKSHF-UHFFFAOYSA-N 1 0 177.247 1.686 50 0 in-vitro ADAARO COc1ccccc1C1([NH3+])CC1 11833904 171024071 /nfs/dbraw/zinc/02/40/71/171024071.db2.gz OLNNGMGXTFSLEW-UHFFFAOYSA-N 1 0 163.220 1.643 50 0 in-vitro ADAARO Cc1ccccc1OC[C@@H](C)[NH3+] 11849654 171024111 /nfs/dbraw/zinc/02/41/11/171024111.db2.gz AUWZEXMVEMHCAL-SECBINFHSA-N 1 0 165.236 1.721 50 0 in-vitro ADAARO COc1ccccc1C(C)(C)[NH3+] 11833902 171024124 /nfs/dbraw/zinc/02/41/24/171024124.db2.gz YRVVAFHIEPYATJ-UHFFFAOYSA-N 1 0 165.236 1.889 50 0 in-vitro ADAARO Cc1ccccc1CCC[NH3+] 11596863 171024223 /nfs/dbraw/zinc/02/42/23/171024223.db2.gz LUYOTDGHRZDHDB-UHFFFAOYSA-N 1 0 149.237 1.886 50 0 in-vitro ADAARO Cc1ccccc1O[C@@H](C)C[NH3+] 11946399 171024350 /nfs/dbraw/zinc/02/43/50/171024350.db2.gz BFLPIFRNTKGEIA-VIFPVBQESA-N 1 0 165.236 1.721 50 0 in-vitro ADAARO [NH3+]CC1(c2ccc(F)cc2)CC1 11885435 171024382 /nfs/dbraw/zinc/02/43/82/171024382.db2.gz LIZUFNBWJGVYRB-UHFFFAOYSA-N 1 0 165.211 1.816 50 0 in-vitro ADAARO COc1ccccc1O[C@@H](C)C[NH3+] 11946473 171024474 /nfs/dbraw/zinc/02/44/74/171024474.db2.gz BIWHLVXMIXGLJA-QMMMGPOBSA-N 1 0 181.235 1.421 50 0 in-vitro ADAARO CC[n+]1ccccc1Cl 12062426 171024554 /nfs/dbraw/zinc/02/45/54/171024554.db2.gz RVEQWIDVLSQVCX-UHFFFAOYSA-N 1 0 142.609 1.647 50 0 ADAARO Cc1ccccc1C[C@@H](C[NH3+])CO 11978381 171024608 /nfs/dbraw/zinc/02/46/08/171024608.db2.gz OOGVRAAJCDROMH-JTQLQIEISA-N 1 0 179.263 1.105 50 0 in-vitro ADAARO [NH3+]CC(=O)Nc1cccc(Cl)c1 11956864 171024758 /nfs/dbraw/zinc/02/47/58/171024758.db2.gz RMAVZDYKICXJHO-UHFFFAOYSA-N 1 0 184.626 1.237 50 0 ADAARO c1csc(CC2CC[NH2+]CC2)n1 11884019 171024793 /nfs/dbraw/zinc/02/47/93/171024793.db2.gz WJVMBLXNPUNVRW-UHFFFAOYSA-N 1 0 182.292 1.685 50 0 ADAARO Cc1ccccc1C[C@H](C[NH3+])CO 11978389 171024819 /nfs/dbraw/zinc/02/48/19/171024819.db2.gz OOGVRAAJCDROMH-SNVBAGLBSA-N 1 0 179.263 1.105 50 0 in-vitro ADAARO [NH3+]CC1(c2ccccc2F)CC1 11885876 171024851 /nfs/dbraw/zinc/02/48/51/171024851.db2.gz BPLHMJLSKPXLEI-UHFFFAOYSA-N 1 0 165.211 1.816 50 0 in-vitro ADAARO COc1ccccc1O[C@H](C)C[NH3+] 11946479 171024863 /nfs/dbraw/zinc/02/48/63/171024863.db2.gz BIWHLVXMIXGLJA-MRVPVSSYSA-N 1 0 181.235 1.421 50 0 in-vitro ADAARO [NH3+]C1(c2ccccc2F)CC1 11886189 171024876 /nfs/dbraw/zinc/02/48/76/171024876.db2.gz PMUHZJKXCBFDEV-UHFFFAOYSA-N 1 0 151.184 1.774 50 0 in-vitro ADAARO [NH3+]C1(c2ccc(F)cc2)CCOCC1 11885841 171024900 /nfs/dbraw/zinc/02/49/00/171024900.db2.gz FWBLYJGNTBGREE-UHFFFAOYSA-N 1 0 195.237 1.790 50 0 in-vitro ADAARO Cn1c2ccccc2[n+]2ccsc12 12341685 171024901 /nfs/dbraw/zinc/02/49/01/171024901.db2.gz AZAQIAPEBKAGLT-UHFFFAOYSA-N 1 0 189.263 1.979 50 0 ADAARO CC1(C)COCC2(CCCC2)[NH2+]1 11950298 171024922 /nfs/dbraw/zinc/02/49/22/171024922.db2.gz GOFXYWWLFBEZQW-UHFFFAOYSA-N 1 0 169.268 1.698 50 0 ADAARO Cc1ccccc1O[C@H](C)C[NH3+] 11946404 171024926 /nfs/dbraw/zinc/02/49/26/171024926.db2.gz BFLPIFRNTKGEIA-SECBINFHSA-N 1 0 165.236 1.721 50 0 in-vitro ADAARO [NH3+]C1CCCCC1 12358775 171024933 /nfs/dbraw/zinc/02/49/33/171024933.db2.gz PAFZNILMFXTMIY-UHFFFAOYSA-N 1 0 99.177 1.278 50 0 endogenous,investigational ADAARO CC[n+]1ccn2cccc2c1C 12341399 171024959 /nfs/dbraw/zinc/02/49/59/171024959.db2.gz YYANCILJHBCDBI-UHFFFAOYSA-N 1 0 161.228 1.555 50 0 ADAARO Cc1ccccc1NC(=O)[C@H](C)[NH3+] 11957578 171024972 /nfs/dbraw/zinc/02/49/72/171024972.db2.gz BEXOMEKJRGSLNS-QMMMGPOBSA-N 1 0 178.235 1.281 50 0 in-vitro ADAARO [NH3+]CC1CCSCC1 12370687 171025245 /nfs/dbraw/zinc/02/52/45/171025245.db2.gz AWCWSADJWHZJOL-UHFFFAOYSA-N 1 0 131.244 1.088 50 0 in-vitro ADAARO Cc1ccccc1C1([NH3+])CC1 12463035 171025361 /nfs/dbraw/zinc/02/53/61/171025361.db2.gz FDPOMQRUQMOUTC-UHFFFAOYSA-N 1 0 147.221 1.943 50 0 in-vitro ADAARO [NH3+]CC1(c2cccs2)CCOCC1 12370710 171025383 /nfs/dbraw/zinc/02/53/83/171025383.db2.gz LBEBHUWSRFXHQR-UHFFFAOYSA-N 1 0 197.303 1.755 50 0 ADAARO c1ccc(CC2C[NH2+]C2)cc1 12505372 171025391 /nfs/dbraw/zinc/02/53/91/171025391.db2.gz AKUVRZKNLXYTJX-UHFFFAOYSA-N 1 0 147.221 1.449 50 0 in-vitro ADAARO COc1ccccc1O[C@H]1CC[NH2+]C1 12359717 171025427 /nfs/dbraw/zinc/02/54/27/171025427.db2.gz RLANOFAQNVDAQD-VIFPVBQESA-N 1 0 193.246 1.436 50 0 in-vitro ADAARO [NH3+]C[C@H]1OCCc2sccc21 12370667 171025453 /nfs/dbraw/zinc/02/54/53/171025453.db2.gz NMVKUIFBCHQTHO-SSDOTTSWSA-N 1 0 169.249 1.321 50 0 in-vitro ADAARO C[NH+](C)CCOc1ccc(CO)cc1 12370454 171025542 /nfs/dbraw/zinc/02/55/42/171025542.db2.gz YRIVJGAEWBORLY-UHFFFAOYSA-N 1 0 195.262 1.119 50 0 ADAARO COc1ccccc1O[C@@H]1CC[NH2+]C1 12371779 171025592 /nfs/dbraw/zinc/02/55/92/171025592.db2.gz RLANOFAQNVDAQD-SECBINFHSA-N 1 0 193.246 1.436 50 0 in-vitro ADAARO C[NH+]1CCC(NC(=O)C(C)(C)C)CC1 12381303 171025613 /nfs/dbraw/zinc/02/56/13/171025613.db2.gz DODSNTBYYJVFRD-UHFFFAOYSA-N 1 0 198.310 1.243 50 0 ADAARO [NH3+]C[C@@H]1OCCc2sccc21 12370666 171025715 /nfs/dbraw/zinc/02/57/15/171025715.db2.gz NMVKUIFBCHQTHO-ZETCQYMHSA-N 1 0 169.249 1.321 50 0 in-vitro ADAARO OC1(c2cccc(F)c2)CC[NH2+]CC1 12359337 171025729 /nfs/dbraw/zinc/02/57/29/171025729.db2.gz XFSVMZMGUSRBJJ-UHFFFAOYSA-N 1 0 195.237 1.397 50 0 ADAARO Cc1ccccc1O[C@H]1CC[NH2+]C1 12359715 171025764 /nfs/dbraw/zinc/02/57/64/171025764.db2.gz MIVMFYNEGPHLSB-JTQLQIEISA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO Cc1ccccc1O[C@@H]1CC[NH2+]C1 12359714 171025765 /nfs/dbraw/zinc/02/57/65/171025765.db2.gz MIVMFYNEGPHLSB-SNVBAGLBSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO C[NH+](C)CCOc1ccccc1CO 12370451 171025808 /nfs/dbraw/zinc/02/58/08/171025808.db2.gz UNABPRGGCSJBPG-UHFFFAOYSA-N 1 0 195.262 1.119 50 0 ADAARO NC(=S)CC[NH+]1CCCCC1 12394904 171025839 /nfs/dbraw/zinc/02/58/39/171025839.db2.gz JJGDQVVOQMYENJ-UHFFFAOYSA-N 1 0 172.297 1.149 50 0 in-vitro ADAARO CCC[NH2+][C@@H](C)CC 12954942 171026093 /nfs/dbraw/zinc/02/60/93/171026093.db2.gz QYNZYUUXSVZDJO-ZETCQYMHSA-N 1 0 115.220 1.785 50 0 in-vitro ADAARO Cc1ccccc1N1CCC[NH2+]CC1 12955389 171026494 /nfs/dbraw/zinc/02/64/94/171026494.db2.gz YHUAEMGXOVDDIM-UHFFFAOYSA-N 1 0 190.290 1.795 50 0 in-vitro ADAARO c1cc(CC2C[NH2+]C2)cs1 12505505 171026674 /nfs/dbraw/zinc/02/66/74/171026674.db2.gz VRHSHLHENJHJKY-UHFFFAOYSA-N 1 0 153.250 1.510 50 0 in-vitro ADAARO FC(F)(F)c1n[nH]c2c1C[NH2+]CC2 12506005 171026714 /nfs/dbraw/zinc/02/67/14/171026714.db2.gz ORKRCIPJIYZDMF-UHFFFAOYSA-N 1 0 191.156 1.074 50 0 in-vitro ADAARO FC(F)(F)[C@@H]1CC[NH2+]C1 12955161 171026795 /nfs/dbraw/zinc/02/67/95/171026795.db2.gz HCWXUWGQMOEJJJ-SCSAIBSYSA-N 1 0 139.120 1.158 50 0 in-vitro ADAARO [NH3+]C1CCN(Cc2ccccn2)CC1 13483634 171027168 /nfs/dbraw/zinc/02/71/68/171027168.db2.gz MHKZEPLHUMBAES-UHFFFAOYSA-N 1 0 191.278 1.005 50 0 in-vitro ADAARO c1cncc(OC2CC[NH2+]CC2)c1 13479952 171027317 /nfs/dbraw/zinc/02/73/17/171027317.db2.gz URPWHVAXGCXZOR-UHFFFAOYSA-N 1 0 178.235 1.212 50 0 in-vitro ADAARO C[NH+](C)CCOc1cccc(N)c1 13495665 171027386 /nfs/dbraw/zinc/02/73/86/171027386.db2.gz BMBSJDSXSMKTNV-UHFFFAOYSA-N 1 0 180.251 1.209 50 0 in-vitro ADAARO CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 13518370 171027539 /nfs/dbraw/zinc/02/75/39/171027539.db2.gz ZCZZZWPLWLILAC-UHFFFAOYSA-N 1 0 190.246 1.291 50 0 in-vitro ADAARO [NH3+]Cc1ccc2c(c1)CCCO2 13997611 171027932 /nfs/dbraw/zinc/02/79/32/171027932.db2.gz IVHMTTRMDOTDKZ-UHFFFAOYSA-N 1 0 163.220 1.470 50 0 in-vitro ADAARO [NH3+]C1(c2cccc(F)c2)CC1 14000033 171028030 /nfs/dbraw/zinc/02/80/30/171028030.db2.gz QVTZALHUUXQDTQ-UHFFFAOYSA-N 1 0 151.184 1.774 50 0 in-vitro ADAARO Oc1cccc([C@@H]2CCC[NH2+]C2)c1 13651747 171028095 /nfs/dbraw/zinc/02/80/95/171028095.db2.gz HYUOAVGLJXTEGX-SNVBAGLBSA-N 1 0 177.247 1.859 50 0 ADAARO [NH2+]=C1N[C@@H](c2ccccc2)CO1 13588703 171028151 /nfs/dbraw/zinc/02/81/51/171028151.db2.gz ZBFPLELNWIASCT-MRVPVSSYSA-N 1 0 162.192 1.073 50 0 in-vitro ADAARO [NH2+]=C1N[C@H](c2ccccc2)CO1 13588704 171028193 /nfs/dbraw/zinc/02/81/93/171028193.db2.gz ZBFPLELNWIASCT-QMMMGPOBSA-N 1 0 162.192 1.073 50 0 in-vitro ADAARO c1cc(CC[NH2+]C2CC2)ccn1 14001400 171028281 /nfs/dbraw/zinc/02/82/81/171028281.db2.gz PUFKXLFZJPNBDJ-UHFFFAOYSA-N 1 0 162.236 1.376 50 0 in-vitro ADAARO c1cncc(C[C@@H]2CCC[NH2+]C2)c1 15020872 171028703 /nfs/dbraw/zinc/02/87/03/171028703.db2.gz RQPORSMWGTWDPN-NSHDSACASA-N 1 0 176.263 1.624 50 0 in-vitro ADAARO COc1ccccc1C[C@@H]1CC[NH2+]C1 15020840 171029157 /nfs/dbraw/zinc/02/91/57/171029157.db2.gz UROIFXYGKPQQPA-JTQLQIEISA-N 1 0 191.274 1.847 50 0 in-vitro ADAARO [NH3+]CC1(c2cccc(F)c2)CC1 15014778 171029169 /nfs/dbraw/zinc/02/91/69/171029169.db2.gz TYUDIEAIIITGJG-UHFFFAOYSA-N 1 0 165.211 1.816 50 0 ADAARO COc1ccccc1OCCCC[NH3+] 15014443 171029196 /nfs/dbraw/zinc/02/91/96/171029196.db2.gz XPDOVPGEUSXAGF-UHFFFAOYSA-N 1 0 195.262 1.813 50 0 in-vitro ADAARO CN1CCC=C(Br)C1 15042876 171029245 /nfs/dbraw/zinc/02/92/45/171029245.db2.gz AEZMVSLMBQQJOA-UHFFFAOYSA-N 1 0 176.057 1.601 50 0 in-vitro ADAARO [NH3+]C1CCN(Cc2ccco2)CC1 15423802 171029507 /nfs/dbraw/zinc/02/95/07/171029507.db2.gz HLOJZOPKEIBEMP-UHFFFAOYSA-N 1 0 180.251 1.203 50 0 ADAARO CCCCCC(=O)N1CCC([NH3+])CC1 15423806 171029525 /nfs/dbraw/zinc/02/95/25/171029525.db2.gz JXVXCTBHUYZBCX-UHFFFAOYSA-N 1 0 198.310 1.516 50 0 ADAARO c1ccc([C@@H]2CC[NH2+]2)cc1 15635656 171029664 /nfs/dbraw/zinc/02/96/64/171029664.db2.gz CLNGGMJEJSANIE-VIFPVBQESA-N 1 0 133.194 1.721 50 0 in-vitro ADAARO c1csc(C[NH2+]C2CC2)n1 15635641 171029785 /nfs/dbraw/zinc/02/97/85/171029785.db2.gz ACDDRSZQTWAHFC-UHFFFAOYSA-N 1 0 154.238 1.395 50 0 in-vitro ADAARO Cc1ccccc1CN(C)C(N)=[NH2+] 15635609 171029871 /nfs/dbraw/zinc/02/98/71/171029871.db2.gz ORIGETOJKQOVOP-UHFFFAOYSA-N 1 0 177.251 1.320 50 0 ADAARO [NH3+]Cc1ccc2cc[nH]c2c1 15424049 171029883 /nfs/dbraw/zinc/02/98/83/171029883.db2.gz FURRUNQWZZOXOT-UHFFFAOYSA-N 1 0 146.193 1.627 50 0 in-vitro ADAARO Cc1ccc2[nH]c(CC[NH3+])nc2c1C 15635421 171029930 /nfs/dbraw/zinc/02/99/30/171029930.db2.gz HEZISPUWFNYMKU-UHFFFAOYSA-N 1 0 189.262 1.681 50 0 ADAARO Oc1ccc(C2=[NH+]CCCN2)cc1 16123885 171030088 /nfs/dbraw/zinc/03/00/88/171030088.db2.gz OEGCCJDCPVXFLC-UHFFFAOYSA-N 1 0 176.219 1.132 50 0 ADAARO CCCC[n+]1ccn(C)c1C 16082627 171030108 /nfs/dbraw/zinc/03/01/08/171030108.db2.gz XUAXVBUVQVRIIQ-UHFFFAOYSA-N 1 0 153.249 1.421 50 0 in-vitro ADAARO [NH3+]C1(Cc2ccc(F)cc2)CC1 16764301 171030145 /nfs/dbraw/zinc/03/01/45/171030145.db2.gz XPPLAXOXGSXQLH-UHFFFAOYSA-N 1 0 165.211 1.860 50 0 in-vitro ADAARO [NH3+]C1(Cc2ccccc2F)CC1 16771330 171030473 /nfs/dbraw/zinc/03/04/73/171030473.db2.gz XYRZYRJTRXOFSQ-UHFFFAOYSA-N 1 0 165.211 1.860 50 0 ADAARO CCOC(=O)C[C@@H]([NH3+])c1ccccc1 16034550 171030523 /nfs/dbraw/zinc/03/05/23/171030523.db2.gz NUWRDXMXYDWUAN-SNVBAGLBSA-N 1 0 193.246 1.640 50 0 in-vitro ADAARO Cc1ccccc1C[NH2+]C(C)(C)CO 16362670 171030558 /nfs/dbraw/zinc/03/05/58/171030558.db2.gz JJGXSYJMWVWQTN-UHFFFAOYSA-N 1 0 193.290 1.856 50 0 ADAARO C[C@H]1CC[C@@H](C)C[C@@H]1[NH3+] 16608570 171030643 /nfs/dbraw/zinc/03/06/43/171030643.db2.gz JDDGZKNTHGVZTQ-CSMHCCOUSA-N 1 0 127.231 1.770 50 0 ADAARO Cc1ccccc1C[NH2+]CCO 16362703 171030648 /nfs/dbraw/zinc/03/06/48/171030648.db2.gz RMILXCMZOMROKB-UHFFFAOYSA-N 1 0 165.236 1.077 50 0 in-vitro ADAARO Fc1cc(F)c2c(c1)C[NH2+]CC2 16082966 171030720 /nfs/dbraw/zinc/03/07/20/171030720.db2.gz RCZPTODWGNKJNL-UHFFFAOYSA-N 1 0 169.174 1.611 50 0 in-vitro ADAARO COc1ccccc1CC(C)(C)[NH3+] 16786934 171030953 /nfs/dbraw/zinc/03/09/53/171030953.db2.gz DPPJOGITYQEJRN-UHFFFAOYSA-N 1 0 179.263 1.975 50 0 in-vitro ADAARO Cc1ccc2[nH]c(C[NH3+])cc2c1 16941553 171031122 /nfs/dbraw/zinc/03/11/22/171031122.db2.gz GTYLUXIGUGWHBL-UHFFFAOYSA-N 1 0 160.220 1.935 50 0 in-vitro ADAARO [NH3+]C1(Cc2ccccc2)CCOCC1 16771584 171031321 /nfs/dbraw/zinc/03/13/21/171031321.db2.gz FFLWOVARGIKKFZ-UHFFFAOYSA-N 1 0 191.274 1.737 50 0 in-vitro ADAARO [NH3+]Cc1ccc2c[nH]nc2c1 19045775 171033045 /nfs/dbraw/zinc/03/30/45/171033045.db2.gz BHJMUMBVCKECNT-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO [NH3+]C1CCN(C(=O)C2CCCC2)CC1 19093089 171033329 /nfs/dbraw/zinc/03/33/29/171033329.db2.gz VWTXAMQWODDUOC-UHFFFAOYSA-N 1 0 196.294 1.126 50 0 in-vitro ADAARO Cc1ccccc1[C@@]1(O)CC[NH2+]C1 19090199 171033386 /nfs/dbraw/zinc/03/33/86/171033386.db2.gz XYLQIZRZZDDGGI-LLVKDONJSA-N 1 0 177.247 1.176 50 0 in-vitro ADAARO Cc1ccccc1OC1C[NH2+]C1 19091792 171033403 /nfs/dbraw/zinc/03/34/03/171033403.db2.gz CUEMUHHZSLOMTD-UHFFFAOYSA-N 1 0 163.220 1.346 50 0 ADAARO COc1ccccc1OC1C[NH2+]C1 19091806 171033485 /nfs/dbraw/zinc/03/34/85/171033485.db2.gz HRDPFVMOJROTAD-UHFFFAOYSA-N 1 0 179.219 1.046 50 0 ADAARO Fc1ccc(CN2CC[NH2+]CC2)cc1 19334236 171033488 /nfs/dbraw/zinc/03/34/88/171033488.db2.gz OOSZCNKVJAVHJI-UHFFFAOYSA-N 1 0 194.253 1.231 50 0 in-vitro ADAARO c1cncc(CO[C@@H]2CCC[NH2+]C2)c1 19089243 171033489 /nfs/dbraw/zinc/03/34/89/171033489.db2.gz NGYNSMZIHJNHSS-LLVKDONJSA-N 1 0 192.262 1.350 50 0 in-vitro ADAARO c1cncc(CO[C@H]2CCC[NH2+]C2)c1 19089240 171033536 /nfs/dbraw/zinc/03/35/36/171033536.db2.gz NGYNSMZIHJNHSS-NSHDSACASA-N 1 0 192.262 1.350 50 0 in-vitro ADAARO c1cncc(COC2CC[NH2+]CC2)c1 19089231 171033685 /nfs/dbraw/zinc/03/36/85/171033685.db2.gz KTJBVZFNQRJDHL-UHFFFAOYSA-N 1 0 192.262 1.350 50 0 in-vitro ADAARO c1ccc(CN2CCC[NH2+]C2)cc1 19323789 171033695 /nfs/dbraw/zinc/03/36/95/171033695.db2.gz KOSJUMIQLLFOIG-UHFFFAOYSA-N 1 0 176.263 1.439 50 0 in-vitro ADAARO [NH3+]CC1(COc2ccccc2)CC1 19091856 171033775 /nfs/dbraw/zinc/03/37/75/171033775.db2.gz PQUPHTVFWGNPPG-UHFFFAOYSA-N 1 0 177.247 1.804 50 0 in-vitro ADAARO CCOC(=O)C[C@@H]([NH3+])CC(C)C 19089747 171033841 /nfs/dbraw/zinc/03/38/41/171033841.db2.gz KYJZDENXIPFFJX-QMMMGPOBSA-N 1 0 173.256 1.313 50 0 in-vitro ADAARO NC(=S)C[NH+]1CCCCCC1 19439686 171034184 /nfs/dbraw/zinc/03/41/84/171034184.db2.gz YJCLQTXODWONRU-UHFFFAOYSA-N 1 0 172.297 1.149 50 0 ADAARO [NH3+]CC(=O)Nc1ccc2c(c1)CCC2 19478565 171034253 /nfs/dbraw/zinc/03/42/53/171034253.db2.gz UZXRJOPKOCZZSU-UHFFFAOYSA-N 1 0 190.246 1.073 50 0 ADAARO NC(=S)CC[NH+]1CCCCCC1 19475908 171034347 /nfs/dbraw/zinc/03/43/47/171034347.db2.gz HFDGJOYJXFGSRS-UHFFFAOYSA-N 1 0 186.324 1.539 50 0 ADAARO COc1ccccc1[C@@H](C[NH3+])N(C)C 19361938 171034363 /nfs/dbraw/zinc/03/43/63/171034363.db2.gz ZRTQZYSQNJLSRJ-SNVBAGLBSA-N 1 0 194.278 1.257 50 0 in-vitro ADAARO Cc1ccccc1NC(=O)[C@@H](C)[NH3+] 19505326 171034450 /nfs/dbraw/zinc/03/44/50/171034450.db2.gz BEXOMEKJRGSLNS-MRVPVSSYSA-N 1 0 178.235 1.281 50 0 in-vitro ADAARO CC(C)N(C)C(=O)CC1CC[NH2+]CC1 19423885 171034644 /nfs/dbraw/zinc/03/46/44/171034644.db2.gz NBGFXXIMKJNWMF-UHFFFAOYSA-N 1 0 198.310 1.243 50 0 in-vitro ADAARO Cc1ccccc1OCC(N)=[NH2+] 19504891 171034672 /nfs/dbraw/zinc/03/46/72/171034672.db2.gz RFNGVBAZWHYYFV-UHFFFAOYSA-N 1 0 164.208 1.310 50 0 in-vitro ADAARO [NH3+]C[C@]1(O)CCCc2ccccc21 19727248 171034866 /nfs/dbraw/zinc/03/48/66/171034866.db2.gz JPSHSGBMKXSDOR-LLVKDONJSA-N 1 0 177.247 1.169 50 0 in-vitro ADAARO Cc1ccccc1NC(=O)C(C)(C)[NH3+] 19672518 171034905 /nfs/dbraw/zinc/03/49/05/171034905.db2.gz BBNSINUOQRIVEG-UHFFFAOYSA-N 1 0 192.262 1.671 50 0 ADAARO Cc1ccnc(C2CC[NH2+]CC2)n1 19686158 171034970 /nfs/dbraw/zinc/03/49/70/171034970.db2.gz MSZMYKCEGVPKNR-UHFFFAOYSA-N 1 0 177.251 1.252 50 0 in-vitro ADAARO CCCN(CCC)C(=O)C(C)(C)[NH3+] 19672510 171035056 /nfs/dbraw/zinc/03/50/56/171035056.db2.gz MLDOYXUPRNJIBQ-UHFFFAOYSA-N 1 0 186.299 1.372 50 0 ADAARO c1cnc([C@@H]2CCCC[NH2+]2)cn1 19686848 171035118 /nfs/dbraw/zinc/03/51/18/171035118.db2.gz XOVVGXSUMIPXJB-QMMMGPOBSA-N 1 0 163.224 1.291 50 0 ADAARO c1ccc(C2CC[NH2+]CC2)nc1 19686484 171035188 /nfs/dbraw/zinc/03/51/88/171035188.db2.gz KVNQCSIGNRPHHM-UHFFFAOYSA-N 1 0 162.236 1.549 50 0 in-vitro ADAARO c1cnc2n[nH]c([C@H]3CC[NH2+]C3)c2c1 19686677 171035353 /nfs/dbraw/zinc/03/53/53/171035353.db2.gz XJNQDYAAQMXYGZ-ZETCQYMHSA-N 1 0 188.234 1.035 50 0 ADAARO c1csc(CN2CC[NH2+]CC2)c1 19702283 171035367 /nfs/dbraw/zinc/03/53/67/171035367.db2.gz XTAPGYLDPZMKRN-UHFFFAOYSA-N 1 0 182.292 1.153 50 0 in-vitro ADAARO c1ccc([C@@H]2CCC[NH2+]C2)nc1 19686500 171035421 /nfs/dbraw/zinc/03/54/21/171035421.db2.gz ZCEKZDKAGHJNRD-SECBINFHSA-N 1 0 162.236 1.549 50 0 in-vitro ADAARO c1cnc([C@H]2CCCC[NH2+]2)cn1 19686850 171035471 /nfs/dbraw/zinc/03/54/71/171035471.db2.gz XOVVGXSUMIPXJB-MRVPVSSYSA-N 1 0 163.224 1.291 50 0 ADAARO Cc1ccccc1[C@@H](C[NH3+])N(C)C 19795965 171035633 /nfs/dbraw/zinc/03/56/33/171035633.db2.gz UIIGCYIMWMFPTM-LLVKDONJSA-N 1 0 178.279 1.556 50 0 in-vitro ADAARO c1ccc(CN2CCC[NH2+]CC2)cc1 19735121 171035643 /nfs/dbraw/zinc/03/56/43/171035643.db2.gz JTJTYCPQUOROFM-UHFFFAOYSA-N 1 0 190.290 1.482 50 0 in-vitro ADAARO Cc1ccccc1CN1CC[NH2+]CC1 19735174 171035667 /nfs/dbraw/zinc/03/56/67/171035667.db2.gz GRVNOUKHAZXMJK-UHFFFAOYSA-N 1 0 190.290 1.400 50 0 in-vitro ADAARO [NH3+]CC1CCN(CC(F)(F)F)CC1 19843457 171035828 /nfs/dbraw/zinc/03/58/28/171035828.db2.gz BLNSEFCVKGFFBT-UHFFFAOYSA-N 1 0 196.216 1.219 50 0 in-vitro ADAARO COc1ccccc1[C@@H]([NH3+])CCO 19784043 171036020 /nfs/dbraw/zinc/03/60/20/171036020.db2.gz KWPWDLVVJZLPSZ-VIFPVBQESA-N 1 0 181.235 1.077 50 0 ADAARO NC(=O)c1ccc(C[NH2+]C2CC2)cc1 19806422 171036027 /nfs/dbraw/zinc/03/60/27/171036027.db2.gz WDUNEPWIKGTGMV-UHFFFAOYSA-N 1 0 190.246 1.038 50 0 in-vitro ADAARO c1ccc(CCN2CC[NH2+]CC2)cc1 19801175 171036031 /nfs/dbraw/zinc/03/60/31/171036031.db2.gz LKUAPSRIYZLAAO-UHFFFAOYSA-N 1 0 190.290 1.134 50 0 ADAARO COc1ccc(NCC[NH3+])cc1 19737064 171036035 /nfs/dbraw/zinc/03/60/35/171036035.db2.gz LOEIZBNJCZKXFJ-UHFFFAOYSA-N 1 0 166.224 1.066 50 0 in-vitro ADAARO CCN(CC)[C@@H](C[NH3+])c1ccco1 19735623 171036077 /nfs/dbraw/zinc/03/60/77/171036077.db2.gz XIBTZZUXZNNSTP-VIFPVBQESA-N 1 0 182.267 1.621 50 0 in-vitro ADAARO Cc1ccccc1[C@H](C[NH3+])N(C)C 19795962 171036107 /nfs/dbraw/zinc/03/61/07/171036107.db2.gz UIIGCYIMWMFPTM-NSHDSACASA-N 1 0 178.279 1.556 50 0 in-vitro ADAARO c1csc(CCN2CC[NH2+]CC2)c1 19801173 171036204 /nfs/dbraw/zinc/03/62/04/171036204.db2.gz PAVBVPAOAVNWGK-UHFFFAOYSA-N 1 0 196.319 1.196 50 0 in-vitro ADAARO CC(C)(C)SCCC[NH3+] 19869556 171036225 /nfs/dbraw/zinc/03/62/25/171036225.db2.gz DPMIZFQAWFDXFM-UHFFFAOYSA-N 1 0 147.287 1.867 50 0 ADAARO Oc1cccc(C[NH2+]CC2CC2)c1 19885040 171036514 /nfs/dbraw/zinc/03/65/14/171036514.db2.gz PKKMQAQBALNNMO-UHFFFAOYSA-N 1 0 177.247 1.892 50 0 in-vitro ADAARO CCSCCCC(N)=[NH2+] 19870380 171036639 /nfs/dbraw/zinc/03/66/39/171036639.db2.gz KZUKQDXFHIJHCB-UHFFFAOYSA-N 1 0 146.259 1.456 50 0 in-vitro ADAARO c1cncc(C[NH2+]CC2CC2)c1 19884699 171036910 /nfs/dbraw/zinc/03/69/10/171036910.db2.gz OAXIFTPVQAZEIY-UHFFFAOYSA-N 1 0 162.236 1.581 50 0 ADAARO Oc1ccc(C[NH2+]CC2CC2)cc1 19884594 171036979 /nfs/dbraw/zinc/03/69/79/171036979.db2.gz FUVWOARKRNIMCC-UHFFFAOYSA-N 1 0 177.247 1.892 50 0 in-vitro ADAARO CC(C)(C)C(=O)N1CCC(C[NH3+])CC1 20182471 171037675 /nfs/dbraw/zinc/03/76/75/171037675.db2.gz UXGDCELHOSVFIM-UHFFFAOYSA-N 1 0 198.310 1.230 50 0 in-vitro ADAARO CC(C)c1cccc(NC(=O)C[NH3+])c1 20362193 171038271 /nfs/dbraw/zinc/03/82/71/171038271.db2.gz OATOFJGQQJVXPC-UHFFFAOYSA-N 1 0 192.262 1.707 50 0 ADAARO CC[NH+](CC)[C@@H](CN)C(C)C 20281208 171038367 /nfs/dbraw/zinc/03/83/67/171038367.db2.gz JLQAGGUEFVKYDD-VIFPVBQESA-N 1 0 158.289 1.312 50 0 ADAARO c1cc(CN2CC[NH2+]CC2)cs1 20268402 171038401 /nfs/dbraw/zinc/03/84/01/171038401.db2.gz DCEFDTKYYGMWMX-UHFFFAOYSA-N 1 0 182.292 1.153 50 0 in-vitro ADAARO Fc1ccc(CC2C[NH2+]C2)cc1F 20283078 171038495 /nfs/dbraw/zinc/03/84/95/171038495.db2.gz USSXSTMGXCZNMH-UHFFFAOYSA-N 1 0 183.201 1.727 50 0 in-vitro ADAARO Fc1ccc(CC2C[NH2+]C2)cc1 20283074 171038569 /nfs/dbraw/zinc/03/85/69/171038569.db2.gz XNDJLHUZUSQKTB-UHFFFAOYSA-N 1 0 165.211 1.588 50 0 in-vitro ADAARO CN(C)c1ccc(C(C)(C)C[NH3+])cc1 20269654 171038595 /nfs/dbraw/zinc/03/85/95/171038595.db2.gz IYCRUPLQFSFYET-UHFFFAOYSA-N 1 0 192.306 1.989 50 0 in-vitro ADAARO CC(=O)Nc1cccc([C@H](C)[NH3+])c1 20282006 171038606 /nfs/dbraw/zinc/03/86/06/171038606.db2.gz MKUVXAZZKXTGOK-ZETCQYMHSA-N 1 0 178.235 1.665 50 0 in-vitro ADAARO CC1(C)COC(C)(C)C[NH2+]1 20269151 171038691 /nfs/dbraw/zinc/03/86/91/171038691.db2.gz KBOKGIUEKHLMQJ-UHFFFAOYSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO COc1ccc2c(C[NH3+])c[nH]c2c1 20269184 171038706 /nfs/dbraw/zinc/03/87/06/171038706.db2.gz MMRWUJQPQPEBBB-UHFFFAOYSA-N 1 0 176.219 1.635 50 0 ADAARO CC(=O)Nc1cccc([C@@H](C)[NH3+])c1 20282003 171038710 /nfs/dbraw/zinc/03/87/10/171038710.db2.gz MKUVXAZZKXTGOK-SSDOTTSWSA-N 1 0 178.235 1.665 50 0 in-vitro ADAARO c1cnc(SC2CC[NH2+]CC2)nc1 20274752 171038741 /nfs/dbraw/zinc/03/87/41/171038741.db2.gz MGLOWCUNKUKPTL-UHFFFAOYSA-N 1 0 195.291 1.321 50 0 ADAARO c1csc(CC2C[NH2+]C2)c1 20392504 171038958 /nfs/dbraw/zinc/03/89/58/171038958.db2.gz RZYZPEIAOBGEDV-UHFFFAOYSA-N 1 0 153.250 1.510 50 0 in-vitro ADAARO COc1ccc2[nH]cc(C[NH3+])c2c1 20269183 171038985 /nfs/dbraw/zinc/03/89/85/171038985.db2.gz CAHOMULUOHSWPI-UHFFFAOYSA-N 1 0 176.219 1.635 50 0 in-vivo ADAARO c1ccc(C2C[NH2+]C2)cc1 20380836 171039018 /nfs/dbraw/zinc/03/90/18/171039018.db2.gz XOZGEXKQMVAILQ-UHFFFAOYSA-N 1 0 133.194 1.373 50 0 in-vitro ADAARO [NH3+]Cc1ccc2c(c1)COC2 20439138 171039230 /nfs/dbraw/zinc/03/92/30/171039230.db2.gz VZWVGCODTFCCHX-UHFFFAOYSA-N 1 0 149.193 1.176 50 0 in-vitro ADAARO [NH3+]Cc1ccc2cnccc2c1 20418314 171039413 /nfs/dbraw/zinc/03/94/13/171039413.db2.gz WHCMAPPCHCJCQG-UHFFFAOYSA-N 1 0 158.204 1.694 50 0 in-vitro ADAARO c1ccc(CC[C@H]2CCC[NH2+]2)nc1 20439651 171039440 /nfs/dbraw/zinc/03/94/40/171039440.db2.gz UTQRWQYEEUMJOA-LLVKDONJSA-N 1 0 176.263 1.766 50 0 ADAARO [NH3+]C1(c2ccccn2)CC1 20445504 171039512 /nfs/dbraw/zinc/03/95/12/171039512.db2.gz HRVLXTZHPZXHTR-UHFFFAOYSA-N 1 0 134.182 1.029 50 0 in-vitro ADAARO COc1ccccc1N1CC[C@H]([NH3+])C1 20441274 171039540 /nfs/dbraw/zinc/03/95/40/171039540.db2.gz MACLZMOAKUFMLH-VIFPVBQESA-N 1 0 192.262 1.233 50 0 in-vitro ADAARO [NH3+]CC1(c2ccccn2)CC1 20440674 171039563 /nfs/dbraw/zinc/03/95/63/171039563.db2.gz LAYWXWONVPWAMC-UHFFFAOYSA-N 1 0 148.209 1.072 50 0 in-vitro ADAARO CCCCCC(=O)NC1CC[NH2+]CC1 20481148 171039598 /nfs/dbraw/zinc/03/95/98/171039598.db2.gz CKBMCJRQJCWHDS-UHFFFAOYSA-N 1 0 198.310 1.435 50 0 in-vitro ADAARO COc1ccccc1N1CC[C@@H]([NH3+])C1 20441270 171039604 /nfs/dbraw/zinc/03/96/04/171039604.db2.gz MACLZMOAKUFMLH-SECBINFHSA-N 1 0 192.262 1.233 50 0 in-vitro ADAARO Cc1ccccc1C1(C[NH3+])CC1 20429489 171039676 /nfs/dbraw/zinc/03/96/76/171039676.db2.gz PSSGHGDRMZGMRG-UHFFFAOYSA-N 1 0 161.248 1.985 50 0 ADAARO [NH3+]CC1(c2ccc3c(c2)OCO3)CC1 20429532 171039685 /nfs/dbraw/zinc/03/96/85/171039685.db2.gz WZJFNNGJVCPBTE-UHFFFAOYSA-N 1 0 191.230 1.406 50 0 ADAARO c1cncc(C[NH2+]C2CCOCC2)c1 20479381 171039714 /nfs/dbraw/zinc/03/97/14/171039714.db2.gz ATJWTRSJMKQBAB-UHFFFAOYSA-N 1 0 192.262 1.350 50 0 in-vitro ADAARO [NH3+]C1CCN(Cc2ccsc2)CC1 20521624 171040213 /nfs/dbraw/zinc/04/02/13/171040213.db2.gz NTNFMOPKOCZICX-UHFFFAOYSA-N 1 0 196.319 1.671 50 0 in-vitro ADAARO C1C[NH2+]C[C@@H](c2nc(C3CC3)no2)C1 21502953 171040278 /nfs/dbraw/zinc/04/02/78/171040278.db2.gz KSIZOLMMFDCERU-QMMMGPOBSA-N 1 0 193.250 1.414 50 0 in-vitro ADAARO c1cncc(CNC2=[NH+]CCS2)c1 20586483 171040295 /nfs/dbraw/zinc/04/02/95/171040295.db2.gz VBDMSARZKWIPJQ-UHFFFAOYSA-N 1 0 193.275 1.274 50 0 in-vitro ADAARO Oc1cccc2c1CC[NH2+]C2 20940934 171040562 /nfs/dbraw/zinc/04/05/62/171040562.db2.gz OMZHCCXUVSEGAD-UHFFFAOYSA-N 1 0 149.193 1.038 50 0 in-vitro ADAARO CCOC(=O)C[C@@H]([NH3+])c1ccncc1 20577672 171040671 /nfs/dbraw/zinc/04/06/71/171040671.db2.gz SXUSVQSWWDQQHB-SECBINFHSA-N 1 0 194.234 1.035 50 0 in-vitro ADAARO C[C@@H]1CC2(CCCC2)C[NH2+]1 21998653 171041162 /nfs/dbraw/zinc/04/11/62/171041162.db2.gz NPBBRURTAYRIQO-MRVPVSSYSA-N 1 0 139.242 1.929 50 0 ADAARO C[C@H]1CC2(CCCC2)C[NH2+]1 21998658 171041201 /nfs/dbraw/zinc/04/12/01/171041201.db2.gz NPBBRURTAYRIQO-QMMMGPOBSA-N 1 0 139.242 1.929 50 0 ADAARO Oc1cccc(C[NH2+]C2CC2)c1 22171615 171041748 /nfs/dbraw/zinc/04/17/48/171041748.db2.gz SIJJRPGHOJKDOF-UHFFFAOYSA-N 1 0 163.220 1.644 50 0 in-vitro ADAARO Oc1ccc(C[NH2+]C2CC2)cc1 22144072 171041884 /nfs/dbraw/zinc/04/18/84/171041884.db2.gz LKWSHXQLGSJANS-UHFFFAOYSA-N 1 0 163.220 1.644 50 0 in-vitro ADAARO CC[C@@H]1CCC[C@H]1[NH3+] 22129981 171042102 /nfs/dbraw/zinc/04/21/02/171042102.db2.gz VFMPCBSRNCHHKO-RNFRBKRXSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO Cc1ccccc1CC1C[NH2+]C1 22159371 171042112 /nfs/dbraw/zinc/04/21/12/171042112.db2.gz CFZCCIGTDBZXBS-UHFFFAOYSA-N 1 0 161.248 1.757 50 0 ADAARO C1COC2(CCC([NH2+]C3CC3)CC2)O1 22220145 171042264 /nfs/dbraw/zinc/04/22/64/171042264.db2.gz OHKGJSNVBUFBIA-UHFFFAOYSA-N 1 0 197.278 1.424 50 0 ADAARO c1csc(CN2CCC[NH2+]CC2)c1 23093604 171042447 /nfs/dbraw/zinc/04/24/47/171042447.db2.gz UCXFSSXNVMAXCU-UHFFFAOYSA-N 1 0 196.319 1.543 50 0 in-vitro ADAARO Cc1ccccc1[C@H]([NH3+])CN(C)C 22564648 171042678 /nfs/dbraw/zinc/04/26/78/171042678.db2.gz YJNHBORXLCKJPS-LLVKDONJSA-N 1 0 178.279 1.556 50 0 ADAARO Cc1ccccc1[C@@H]([NH3+])CN(C)C 22564652 171042917 /nfs/dbraw/zinc/04/29/17/171042917.db2.gz YJNHBORXLCKJPS-NSHDSACASA-N 1 0 178.279 1.556 50 0 ADAARO c1ccc(CN2CC[NH2+]CC2)cc1 22916607 171043245 /nfs/dbraw/zinc/04/32/45/171043245.db2.gz IQXXEPZFOOTTBA-UHFFFAOYSA-N 1 0 176.263 1.092 50 0 in-vitro ADAARO c1c[nH]c(C[NH2+]C2CCCCC2)n1 22861603 171043249 /nfs/dbraw/zinc/04/32/49/171043249.db2.gz OTQROSKYDKTUOS-UHFFFAOYSA-N 1 0 179.267 1.832 50 0 ADAARO Oc1ccc(C[NH+]2CCCC2)cc1 23550023 171043333 /nfs/dbraw/zinc/04/33/33/171043333.db2.gz YLMRZQGEWJVGBB-UHFFFAOYSA-N 1 0 177.247 1.988 50 0 ADAARO Cc1ccccc1C[NH2+]CCN(C)C 22945539 171043355 /nfs/dbraw/zinc/04/33/55/171043355.db2.gz XGGPXLVNGIFSDX-UHFFFAOYSA-N 1 0 192.306 1.646 50 0 ADAARO CC[NH+](CC)[C@@H](CN)CC(C)C 22921611 171043436 /nfs/dbraw/zinc/04/34/36/171043436.db2.gz VFIZLVLYYTWDDN-SNVBAGLBSA-N 1 0 172.316 1.702 50 0 in-vitro ADAARO Cc1cc[nH+]c(N)c1C 26145526 171044218 /nfs/dbraw/zinc/04/42/18/171044218.db2.gz GJHFAHVMZHRUFR-UHFFFAOYSA-N 1 0 122.171 1.281 50 0 ADAARO [NH3+]Cc1ccc2cc[nH]c2n1 26461409 171045087 /nfs/dbraw/zinc/04/50/87/171045087.db2.gz VDXMZLDXEZZTHE-UHFFFAOYSA-N 1 0 147.181 1.022 50 0 in-vitro ADAARO C1C[NH2+]C[C@@H](c2nnc(C3CC3)o2)C1 26424233 171045093 /nfs/dbraw/zinc/04/50/93/171045093.db2.gz BZOXKNRWLXHQEH-QMMMGPOBSA-N 1 0 193.250 1.414 50 0 ADAARO Nc1ccc(N)c2c[nH+]ccc12 26506663 171045281 /nfs/dbraw/zinc/04/52/81/171045281.db2.gz UEYXZMIZYXYAJN-UHFFFAOYSA-N 1 0 159.192 1.399 50 0 in-vitro ADAARO FC(F)(F)c1ncc2n1CC[NH2+]C2 26894593 171045951 /nfs/dbraw/zinc/04/59/51/171045951.db2.gz RMUCKQYMCXRUKE-UHFFFAOYSA-N 1 0 191.156 1.005 50 0 in-vitro ADAARO Cc1ccc2[nH]cc(C(=[NH2+])NO)c2c1 26895473 171045959 /nfs/dbraw/zinc/04/59/59/171045959.db2.gz UCJXABGGKWKYDB-UHFFFAOYSA-N 1 0 189.218 1.780 50 0 ADAARO COc1ccc(O)c(C[C@@H](C)[NH3+])c1 28097838 171047373 /nfs/dbraw/zinc/04/73/73/171047373.db2.gz GPZMNNPIQBORLJ-SSDOTTSWSA-N 1 0 181.235 1.291 50 0 ADAARO COc1ccc(O)c(C[C@H](C)[NH3+])c1 28097843 171047575 /nfs/dbraw/zinc/04/75/75/171047575.db2.gz GPZMNNPIQBORLJ-ZETCQYMHSA-N 1 0 181.235 1.291 50 0 ADAARO [NH3+]CC1(O)CCCCCCC1 28222825 171047648 /nfs/dbraw/zinc/04/76/48/171047648.db2.gz XXIJRFAMOZLPPB-UHFFFAOYSA-N 1 0 157.257 1.421 50 0 ADAARO c1cnc2[nH]c([C@@H]3CC[NH2+]C3)cc2c1 29130681 171047810 /nfs/dbraw/zinc/04/78/10/171047810.db2.gz KOWVUSHBSAGCKE-SECBINFHSA-N 1 0 187.246 1.640 50 0 ADAARO c1cnc2[nH]c([C@H]3CC[NH2+]C3)cc2c1 29130683 171047980 /nfs/dbraw/zinc/04/79/80/171047980.db2.gz KOWVUSHBSAGCKE-VIFPVBQESA-N 1 0 187.246 1.640 50 0 ADAARO CCOC(=O)Cc1ccc(C[NH3+])cc1 30677754 171048644 /nfs/dbraw/zinc/04/86/44/171048644.db2.gz FMELKQUZTWEFLT-UHFFFAOYSA-N 1 0 193.246 1.251 50 0 in-vitro ADAARO c1ccc([C@@H]2CN2)cc1 31687178 171048786 /nfs/dbraw/zinc/04/87/86/171048786.db2.gz GBIKLFWSUVVUKT-QMMMGPOBSA-N 1 0 119.167 1.331 50 0 in-vitro ADAARO [NH3+]C[C@]1(c2ccccc2)C[C@H]1F 29480886 171048891 /nfs/dbraw/zinc/04/88/91/171048891.db2.gz UVDRNDBQMYYRKX-ZJUUUORDSA-N 1 0 165.211 1.625 50 0 ADAARO O[C@@H](C[NH2+]C1CC1)c1ccccc1 32006978 171049348 /nfs/dbraw/zinc/04/93/48/171049348.db2.gz DZEKVLKJJILVSJ-NSHDSACASA-N 1 0 177.247 1.472 50 0 in-vitro ADAARO O[C@@H](C[NH2+]C1CC1)c1ccc(F)cc1 32009158 171049485 /nfs/dbraw/zinc/04/94/85/171049485.db2.gz VQMJHCSSTYKGRD-NSHDSACASA-N 1 0 195.237 1.611 50 0 in-vitro ADAARO Cc1ccccc1[C@@H]1C[C@H]1[NH3+] 32005573 171049506 /nfs/dbraw/zinc/04/95/06/171049506.db2.gz KZEFZXPGEZBFNW-VHSXEESVSA-N 1 0 147.221 1.810 50 0 in-vitro ADAARO Oc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 32099137 171049582 /nfs/dbraw/zinc/04/95/82/171049582.db2.gz VJHMLHKDZVTNDZ-NSHDSACASA-N 1 0 191.274 1.934 50 0 in-vitro ADAARO COc1ccccc1[C@@H]1C[C@@H]1[NH3+] 32006177 171049820 /nfs/dbraw/zinc/04/98/20/171049820.db2.gz DHHVOLWFZZZOCA-IUCAKERBSA-N 1 0 163.220 1.510 50 0 ADAARO CN(C)c1[nH]c2ccc(N)cc2[nH+]1 32500366 171050504 /nfs/dbraw/zinc/05/05/04/171050504.db2.gz GDIRRUCMINBFNR-UHFFFAOYSA-N 1 0 176.223 1.211 50 0 in-vitro ADAARO CC1(C)[C@H]2CC[C@@H]([NH3+])[C@@H]1C2 32298843 171050510 /nfs/dbraw/zinc/05/05/10/171050510.db2.gz VFQYFRUGGATHGJ-BIIVOSGPSA-N 1 0 139.242 1.770 50 0 ADAARO Cc1ccnc([C@@H](C)[NH3+])c1 33414659 171050529 /nfs/dbraw/zinc/05/05/29/171050529.db2.gz YYIROKBEKIVBSZ-SSDOTTSWSA-N 1 0 136.198 1.410 50 0 in-vitro ADAARO NCC1([NH+]2CCCCC2)CCCC1 32445552 171050531 /nfs/dbraw/zinc/05/05/31/171050531.db2.gz KEDRZSDDGPZNTE-UHFFFAOYSA-N 1 0 182.311 1.744 50 0 in-vitro ADAARO CO[C@@H]1c2ccccc2C[C@H]1[NH3+] 32628369 171050684 /nfs/dbraw/zinc/05/06/84/171050684.db2.gz DMICMWRZNBCKBU-NXEZZACHSA-N 1 0 163.220 1.258 50 0 ADAARO CO[C@@H]1c2ccccc2C[C@@H]1[NH3+] 32628365 171050764 /nfs/dbraw/zinc/05/07/64/171050764.db2.gz DMICMWRZNBCKBU-VHSXEESVSA-N 1 0 163.220 1.258 50 0 ADAARO c1c[nH]c([C@@H]2CCCC[NH2+]2)n1 32914990 171050768 /nfs/dbraw/zinc/05/07/68/171050768.db2.gz GJQDDUPLCDQOHZ-ZETCQYMHSA-N 1 0 151.213 1.224 50 0 in-vitro ADAARO CC(C)(C)[C@@H](N)C[NH+]1CCCC1 32445494 171050842 /nfs/dbraw/zinc/05/08/42/171050842.db2.gz IWODVMXFHKPVBD-VIFPVBQESA-N 1 0 170.300 1.456 50 0 ADAARO O[C@@H](C[NH+]1CCCC1)C(F)(F)F 32228566 171050861 /nfs/dbraw/zinc/05/08/61/171050861.db2.gz NFDYPZXRSNWUHC-LURJTMIESA-N 1 0 183.173 1.005 50 0 in-vitro ADAARO [NH3+]CC1(c2ccncc2)CCCC1 33487096 171051435 /nfs/dbraw/zinc/05/14/35/171051435.db2.gz JNJHXKXEUHWJED-UHFFFAOYSA-N 1 0 176.263 1.852 50 0 in-vitro ADAARO [NH3+]C1(c2ccccn2)CCCC1 33487356 171051547 /nfs/dbraw/zinc/05/15/47/171051547.db2.gz CEWYPUVVFAZZRX-UHFFFAOYSA-N 1 0 162.236 1.810 50 0 ADAARO [NH3+]CC1(c2ccncc2)CC1 33487075 171051751 /nfs/dbraw/zinc/05/17/51/171051751.db2.gz ALFWXUALIKPMMK-UHFFFAOYSA-N 1 0 148.209 1.072 50 0 in-vitro ADAARO [NH3+]CC1(c2ccccn2)CCCC1 33487094 171051827 /nfs/dbraw/zinc/05/18/27/171051827.db2.gz DQSRGJUPRBBWIV-UHFFFAOYSA-N 1 0 176.263 1.852 50 0 ADAARO N#[N+]c1ccc(C=O)cc1 34108646 171053308 /nfs/dbraw/zinc/05/33/08/171053308.db2.gz WPNZCFMIGPCUJA-UHFFFAOYSA-N 1 0 133.130 1.984 50 0 ADAARO O[C@@H](C[C@@H]1CCC[NH2+]1)c1ccccc1 34268467 171053743 /nfs/dbraw/zinc/05/37/43/171053743.db2.gz VSDZLESKQMMKLT-RYUDHWBXSA-N 1 0 191.274 1.862 50 0 in-vitro ADAARO C[N@@H+]1CCc2c(N)cccc2C1 34240091 171053780 /nfs/dbraw/zinc/05/37/80/171053780.db2.gz OXWNTTVDTPIYRD-UHFFFAOYSA-N 1 0 162.236 1.257 50 0 in-vitro ADAARO C[C@H]1CC([NH3+])C[C@H](C)C1 34344323 171054451 /nfs/dbraw/zinc/05/44/51/171054451.db2.gz AUVPFHDQSZJPSZ-RNFRBKRXSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO C[C@@H]1CC([NH3+])C[C@@H](C)C1 34344322 171055242 /nfs/dbraw/zinc/05/52/42/171055242.db2.gz AUVPFHDQSZJPSZ-BQBZGAKWSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO [NH3+]CC1CCC(F)(F)CC1 34603825 171056236 /nfs/dbraw/zinc/05/62/36/171056236.db2.gz XAAFYIOYLLPWMM-UHFFFAOYSA-N 1 0 149.184 1.771 50 0 in-vitro ADAARO [NH3+]C/C=C/c1cccnc1 34592685 171056249 /nfs/dbraw/zinc/05/62/49/171056249.db2.gz WZGWOIOGOJYLSM-HNQUOIGGSA-N 1 0 134.182 1.054 50 0 ADAARO CC(=O)CCCC[NH+](C)C 34566737 171056552 /nfs/dbraw/zinc/05/65/52/171056552.db2.gz QEWONZQIQAAOGH-UHFFFAOYSA-N 1 0 143.230 1.307 50 0 in-vitro ADAARO CCOC(=O)C[C@@H](C)[N@H+](C)CC 34925154 171057133 /nfs/dbraw/zinc/05/71/33/171057133.db2.gz HUBXCNHHVREQJA-MRVPVSSYSA-N 1 0 173.256 1.280 50 0 ADAARO c1c[nH]c(C[NH2+]C2CC2)c1 34926275 171057215 /nfs/dbraw/zinc/05/72/15/171057215.db2.gz AZRNVXUHFUBPAK-UHFFFAOYSA-N 1 0 136.198 1.267 50 0 ADAARO c1cncc(C[NH2+]Cc2ccc[nH]2)c1 34926276 171057669 /nfs/dbraw/zinc/05/76/69/171057669.db2.gz LKZBAXQUEHAFPU-UHFFFAOYSA-N 1 0 187.246 1.700 50 0 ADAARO CC(=O)Nc1cccc2c1CC[NH2+]C2 35276790 171058198 /nfs/dbraw/zinc/05/81/98/171058198.db2.gz BSMZGRFWKJDIHC-UHFFFAOYSA-N 1 0 190.246 1.291 50 0 in-vitro ADAARO [NH3+]C1CCN(c2nccs2)CC1 35247358 171058541 /nfs/dbraw/zinc/05/85/41/171058541.db2.gz SQWHSDXOVVYPSX-UHFFFAOYSA-N 1 0 183.280 1.071 50 0 in-vitro ADAARO c1cc(C[NH2+]C2CC2)co1 35572359 171059313 /nfs/dbraw/zinc/05/93/13/171059313.db2.gz LYZMLUGJUABKLU-UHFFFAOYSA-N 1 0 137.182 1.532 50 0 ADAARO CC[n+]1cccc(Br)c1 36382670 171060389 /nfs/dbraw/zinc/06/03/89/171060389.db2.gz KDSQPCSHUGHUKU-UHFFFAOYSA-N 1 0 187.060 1.757 50 0 ADAARO [NH3+]C1CCc2ccccc2CC1 36437791 171060535 /nfs/dbraw/zinc/06/05/35/171060535.db2.gz BGKVEHAWZXNHBI-UHFFFAOYSA-N 1 0 161.248 1.893 50 0 in-vitro ADAARO C[C@H]1CC[C@@H](C)[N@@H+]1[C@@H]1CCCNC1 36379427 171060902 /nfs/dbraw/zinc/06/09/02/171060902.db2.gz QQRILNLFDBBTQQ-OUAUKWLOSA-N 1 0 182.311 1.611 50 0 ADAARO CC1(C)CO[C@H]2CCC[C@H]2[NH2+]1 36672987 171061433 /nfs/dbraw/zinc/06/14/33/171061433.db2.gz IBRJSVLGZIAGHC-SFYZADRCSA-N 1 0 155.241 1.306 50 0 ADAARO CC1(C)CO[C@@H]2CCC[C@H]2[NH2+]1 36672986 171061440 /nfs/dbraw/zinc/06/14/40/171061440.db2.gz IBRJSVLGZIAGHC-HTQZYQBOSA-N 1 0 155.241 1.306 50 0 ADAARO CC1(C)CO[C@H]2CCC[C@@H]2[NH2+]1 36672985 171061497 /nfs/dbraw/zinc/06/14/97/171061497.db2.gz IBRJSVLGZIAGHC-YUMQZZPRSA-N 1 0 155.241 1.306 50 0 ADAARO COc1ccccc1OC[C@H](C)C[NH3+] 36678685 171061557 /nfs/dbraw/zinc/06/15/57/171061557.db2.gz FSZQDDUZEWMBRA-SECBINFHSA-N 1 0 195.262 1.669 50 0 in-vitro ADAARO CC1(C)CO[C@@H]2CCC[C@@H]2[NH2+]1 36672984 171061612 /nfs/dbraw/zinc/06/16/12/171061612.db2.gz IBRJSVLGZIAGHC-JGVFFNPUSA-N 1 0 155.241 1.306 50 0 ADAARO [NH3+]C1(c2noc(C3CC3)n2)CCCC1 36764096 171061685 /nfs/dbraw/zinc/06/16/85/171061685.db2.gz OAQOXCSTPHYAOH-UHFFFAOYSA-N 1 0 193.250 1.675 50 0 in-vitro ADAARO COc1ccccc1OC[C@@H](C)C[NH3+] 36678684 171061757 /nfs/dbraw/zinc/06/17/57/171061757.db2.gz FSZQDDUZEWMBRA-VIFPVBQESA-N 1 0 195.262 1.669 50 0 in-vitro ADAARO [NH3+]C1(c2cccc(F)c2)CCOCC1 36906442 171062227 /nfs/dbraw/zinc/06/22/27/171062227.db2.gz OJNPVEMLVYDCER-UHFFFAOYSA-N 1 0 195.237 1.790 50 0 in-vitro ADAARO [NH3+]C1(c2ccc3c(c2)OCCO3)CC1 36924950 171062379 /nfs/dbraw/zinc/06/23/79/171062379.db2.gz ONPWHMSLIPYJQL-UHFFFAOYSA-N 1 0 191.230 1.406 50 0 ADAARO CN(C)c1ccc(C(N)=[NH2+])cc1F 36887799 171062459 /nfs/dbraw/zinc/06/24/59/171062459.db2.gz OORXBBFFUXXPLF-UHFFFAOYSA-N 1 0 181.214 1.176 50 0 in-vitro ADAARO [NH3+]C1(c2ccc3c(c2)OCO3)CC1 36906457 171062466 /nfs/dbraw/zinc/06/24/66/171062466.db2.gz SPJVKWJVDVINCV-UHFFFAOYSA-N 1 0 177.203 1.363 50 0 in-vitro ADAARO [NH3+]CC(C1CC1)C1CC1 37245672 171062928 /nfs/dbraw/zinc/06/29/28/171062928.db2.gz BKVXMCNNRQIGRK-UHFFFAOYSA-N 1 0 125.215 1.381 50 0 in-vitro ADAARO CC[NH+](CC)[C@@H]1CCCCC1=O 37332234 171064357 /nfs/dbraw/zinc/06/43/57/171064357.db2.gz UNWHEYKBHKVKGQ-SECBINFHSA-N 1 0 169.268 1.840 50 0 ADAARO c1ccc(CC[NH2+]C2CC2)nc1 37486112 171064707 /nfs/dbraw/zinc/06/47/07/171064707.db2.gz DIBRSJGUWGKUFS-UHFFFAOYSA-N 1 0 162.236 1.376 50 0 in-vitro ADAARO COc1ccccc1CC1(C[NH3+])CC1 71505839 171065284 /nfs/dbraw/zinc/06/52/84/171065284.db2.gz VDBWLYNEMRHSAO-UHFFFAOYSA-N 1 0 191.274 1.977 50 0 ADAARO COC(=[NH2+])CC(C)C 37927971 171066501 /nfs/dbraw/zinc/06/65/01/171066501.db2.gz GHLCIJVNHOKREG-UHFFFAOYSA-N 1 0 115.176 1.656 50 0 in-vitro ADAARO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH3+])C3 74280293 171066577 /nfs/dbraw/zinc/06/65/77/171066577.db2.gz CRTSIFCIPOPCDW-MRVPVSSYSA-N 1 0 186.258 1.902 50 0 ADAARO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH3+])C3 74280296 171066614 /nfs/dbraw/zinc/06/66/14/171066614.db2.gz CRTSIFCIPOPCDW-QMMMGPOBSA-N 1 0 186.258 1.902 50 0 ADAARO c1cncc(NC2CC[NH2+]CC2)c1 38040475 171067576 /nfs/dbraw/zinc/06/75/76/171067576.db2.gz UUXXGTMOTIUHPW-UHFFFAOYSA-N 1 0 177.251 1.246 50 0 ADAARO [NH3+]CC(=O)C12CC3CC(CC(C3)C1)C2 37977702 171068009 /nfs/dbraw/zinc/06/80/09/171068009.db2.gz FCHIDWSAUIQOOX-UHFFFAOYSA-N 1 0 193.290 1.731 50 0 in-vitro ADAARO [NH3+]CC1(c2ccccc2F)COC1 76605054 171068086 /nfs/dbraw/zinc/06/80/86/171068086.db2.gz GSCONSAITBCSAG-UHFFFAOYSA-N 1 0 181.210 1.052 50 0 ADAARO CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 38202336 171068432 /nfs/dbraw/zinc/06/84/32/171068432.db2.gz CWVPIGAZJLHCQZ-UWVGGRQHSA-N 1 0 168.284 1.223 50 0 in-vitro ADAARO CN1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 38202338 171068667 /nfs/dbraw/zinc/06/86/67/171068667.db2.gz PAASZFYAZDIBJQ-QWRGUYRKSA-N 1 0 182.311 1.613 50 0 ADAARO [NH3+]C12CC(c3ccccc3)(C1)C2 38338413 171069227 /nfs/dbraw/zinc/06/92/27/171069227.db2.gz YCBHYVJNMCHXQG-UHFFFAOYSA-N 1 0 159.232 1.819 50 0 in-vitro ADAARO Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 38538671 171069863 /nfs/dbraw/zinc/06/98/63/171069863.db2.gz XCHKKIMRHNCWOK-GFCCVEGCSA-N 1 0 191.274 1.562 50 0 ADAARO Cc1ccccc1CNCC[NH3+] 38595038 171069878 /nfs/dbraw/zinc/06/98/78/171069878.db2.gz WJKMFHVWDDNEQN-UHFFFAOYSA-N 1 0 164.252 1.043 50 0 in-vitro ADAARO Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 38538668 171069890 /nfs/dbraw/zinc/06/98/90/171069890.db2.gz XCHKKIMRHNCWOK-LBPRGKRZSA-N 1 0 191.274 1.562 50 0 ADAARO Cc1ccccc1CN1CC[C@H]([NH3+])C1 38538665 171069924 /nfs/dbraw/zinc/06/99/24/171069924.db2.gz KBQWAGIDBNRGMT-LBPRGKRZSA-N 1 0 190.290 1.528 50 0 ADAARO Cc1ccccc1OC[C@H]1CC[NH2+]C1 38580760 171069948 /nfs/dbraw/zinc/06/99/48/171069948.db2.gz VNAOBEYXRHGARK-NSHDSACASA-N 1 0 191.274 1.983 50 0 ADAARO Cc1ccccc1OC[C@@H]1CC[NH2+]C1 38580759 171069998 /nfs/dbraw/zinc/06/99/98/171069998.db2.gz VNAOBEYXRHGARK-LLVKDONJSA-N 1 0 191.274 1.983 50 0 ADAARO Cc1ccccc1CN1CC[C@@H]([NH3+])C1 38538662 171070225 /nfs/dbraw/zinc/07/02/25/171070225.db2.gz KBQWAGIDBNRGMT-GFCCVEGCSA-N 1 0 190.290 1.528 50 0 ADAARO c1ccc(C[NH+]2CCC2)cc1 38540175 171070234 /nfs/dbraw/zinc/07/02/34/171070234.db2.gz DHKHRPLFCUZKQV-UHFFFAOYSA-N 1 0 147.221 1.892 50 0 ADAARO NCC1([NH+]2CCCC2)CCCC1 38960056 171070642 /nfs/dbraw/zinc/07/06/42/171070642.db2.gz BOMNBFHSTDTMEF-UHFFFAOYSA-N 1 0 168.284 1.354 50 0 in-vitro ADAARO CCC/C=C/C[NH3+] 38956151 171070775 /nfs/dbraw/zinc/07/07/75/171070775.db2.gz JMPKRWPMDAFCGM-SNAWJCMRSA-N 1 0 99.177 1.301 50 0 ADAARO NCC1([NH+]2CCCC2)CCCCC1 39001867 171070844 /nfs/dbraw/zinc/07/08/44/171070844.db2.gz OWXDPLLCRZCZDT-UHFFFAOYSA-N 1 0 182.311 1.744 50 0 ADAARO CCOC(=N)CCOC 38873455 171070861 /nfs/dbraw/zinc/07/08/61/171070861.db2.gz AMKIHLLFFGBKBF-UHFFFAOYSA-N 1 0 131.175 1.037 50 0 ADAARO CNc1ccc(C)nc1 39051712 171071137 /nfs/dbraw/zinc/07/11/37/171071137.db2.gz LVDLXEFCWOMUGO-UHFFFAOYSA-N 1 0 122.171 1.432 50 0 in-vitro ADAARO [NH3+]C1(c2cccnc2)CC1 39050266 171071216 /nfs/dbraw/zinc/07/12/16/171071216.db2.gz NCKHUCRTBXQWHQ-UHFFFAOYSA-N 1 0 134.182 1.029 50 0 in-vitro ADAARO O=Cc1cccc2c[nH+]cn12 39061621 171072384 /nfs/dbraw/zinc/07/23/84/171072384.db2.gz JTPBTUUKUMKNHD-UHFFFAOYSA-N 1 0 146.149 1.147 50 0 in-vitro ADAARO [NH3+]C1CCC=CCC1 39118442 171076060 /nfs/dbraw/zinc/07/60/60/171076060.db2.gz LHZQBYZXLGZBJZ-UHFFFAOYSA-N 1 0 111.188 1.444 50 0 ADAARO [NH3+]C1([C@@H](O)c2ccccc2)CC1 39136023 171076885 /nfs/dbraw/zinc/07/68/85/171076885.db2.gz GKCYNKHFSOBSCC-VIFPVBQESA-N 1 0 163.220 1.211 50 0 ADAARO [NH3+]C1([C@H](O)c2ccccc2)CC1 39136024 171076929 /nfs/dbraw/zinc/07/69/29/171076929.db2.gz GKCYNKHFSOBSCC-SECBINFHSA-N 1 0 163.220 1.211 50 0 ADAARO [NH3+]C12CCC(F)(CC1)CC2 39281997 171078447 /nfs/dbraw/zinc/07/84/47/171078447.db2.gz UIPHMWMHKQUAIM-UHFFFAOYSA-N 1 0 143.205 1.760 50 0 ADAARO C[N@@H+]1CCc2c(O)cccc2C1 39645277 171079234 /nfs/dbraw/zinc/07/92/34/171079234.db2.gz YNGGLUVRQLFWGP-UHFFFAOYSA-N 1 0 163.220 1.380 50 0 in-vitro ADAARO c1ccc(CC[C@@H]2C[NH2+]CCN2)cc1 39952453 171079299 /nfs/dbraw/zinc/07/92/99/171079299.db2.gz FRTXUSHWBSBIAT-GFCCVEGCSA-N 1 0 190.290 1.181 50 0 in-vitro ADAARO CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 39706079 171079338 /nfs/dbraw/zinc/07/93/38/171079338.db2.gz CWVPIGAZJLHCQZ-VHSXEESVSA-N 1 0 168.284 1.223 50 0 in-vitro ADAARO c1ccc(CC[C@H]2C[NH2+]CCN2)cc1 39952454 171079410 /nfs/dbraw/zinc/07/94/10/171079410.db2.gz FRTXUSHWBSBIAT-LBPRGKRZSA-N 1 0 190.290 1.181 50 0 in-vitro ADAARO [NH3+]C/C=C/c1ccc(F)cc1 39626370 171079788 /nfs/dbraw/zinc/07/97/88/171079788.db2.gz DNQXUQBOJXVGEJ-OWOJBTEDSA-N 1 0 151.184 1.798 50 0 ADAARO [NH3+]Cc1ccc2c(c1)CCN2 40410141 171080101 /nfs/dbraw/zinc/08/01/01/171080101.db2.gz FBQVWRQGESOMSI-UHFFFAOYSA-N 1 0 148.209 1.113 50 0 ADAARO [NH3+]CC1(c2c(F)cccc2F)CC1 40447856 171080510 /nfs/dbraw/zinc/08/05/10/171080510.db2.gz YDRYHGRNKNIBKL-UHFFFAOYSA-N 1 0 183.201 1.955 50 0 in-vitro ADAARO Oc1cccc([C@@H]2CCC[NH2+]2)c1 40442604 171080578 /nfs/dbraw/zinc/08/05/78/171080578.db2.gz DSELUURJNITILG-JTQLQIEISA-N 1 0 163.220 1.817 50 0 in-vitro ADAARO c1ccc(CC[C@H]2C[NH2+]CCO2)cc1 40449287 171081009 /nfs/dbraw/zinc/08/10/09/171081009.db2.gz TXIWKJLQPACJEW-LBPRGKRZSA-N 1 0 191.274 1.608 50 0 ADAARO c1ccc(CC[C@@H]2C[NH2+]CCO2)cc1 40449285 171081041 /nfs/dbraw/zinc/08/10/41/171081041.db2.gz TXIWKJLQPACJEW-GFCCVEGCSA-N 1 0 191.274 1.608 50 0 ADAARO c1nn[nH]c1C[NH2+]C1CCCCC1 41050768 171082223 /nfs/dbraw/zinc/08/22/23/171082223.db2.gz CIGIAJMEWROPAB-UHFFFAOYSA-N 1 0 180.255 1.227 50 0 ADAARO C1C[NH2+]C[C@@H](c2nnc(C3CC3)[nH]2)C1 41058754 171082764 /nfs/dbraw/zinc/08/27/64/171082764.db2.gz ZCUSQAMYBYWEDZ-QMMMGPOBSA-N 1 0 192.266 1.149 50 0 in-vitro ADAARO C[NH+](C)CCOc1ccc(F)cc1 41202304 171083455 /nfs/dbraw/zinc/08/34/55/171083455.db2.gz KUNDZNSXYFPGGA-UHFFFAOYSA-N 1 0 183.226 1.766 50 0 ADAARO [NH3+]C1(c2cc(F)cc(F)c2)CC1 42383752 171085731 /nfs/dbraw/zinc/08/57/31/171085731.db2.gz PNDWBHMZTHGWAF-UHFFFAOYSA-N 1 0 169.174 1.913 50 0 ADAARO [NH3+]C1(c2cc(F)ccc2F)CC1 42383694 171085825 /nfs/dbraw/zinc/08/58/25/171085825.db2.gz XFKFEVCSHCTSQX-UHFFFAOYSA-N 1 0 169.174 1.913 50 0 ADAARO c1cncc(OC[C@@H]2CC[NH2+]C2)c1 42773384 171086180 /nfs/dbraw/zinc/08/61/80/171086180.db2.gz OAZQSYSKYUIZPN-SECBINFHSA-N 1 0 178.235 1.070 50 0 ADAARO O=C(OCC[C@H]1CCCC[NH2+]1)C1CC1 42769209 171086210 /nfs/dbraw/zinc/08/62/10/171086210.db2.gz VSQKLVUJNCXADK-SNVBAGLBSA-N 1 0 197.278 1.472 50 0 ADAARO O=C(OCC[C@@H]1CCC[NH2+]C1)C1CC1 42769200 171086269 /nfs/dbraw/zinc/08/62/69/171086269.db2.gz RPAAYHIWPRCLRW-VIFPVBQESA-N 1 0 197.278 1.329 50 0 ADAARO O=C(OC1CC[NH2+]CC1)C1CCCC1 42769332 171086280 /nfs/dbraw/zinc/08/62/80/171086280.db2.gz BTGSASKVXDZNAO-UHFFFAOYSA-N 1 0 197.278 1.472 50 0 ADAARO Fc1ccc(C2CC[NH2+]CC2)nc1 82396518 171086282 /nfs/dbraw/zinc/08/62/82/171086282.db2.gz MCSRVNMGHZPKBW-UHFFFAOYSA-N 1 0 180.226 1.688 50 0 ADAARO Cc1ccccc1COC1C[NH2+]C1 42769787 171086303 /nfs/dbraw/zinc/08/63/03/171086303.db2.gz FCGOFCGXPXVSNG-UHFFFAOYSA-N 1 0 177.247 1.483 50 0 ADAARO C1C[NH2+]C[C@@H](COCC2CC2)C1 42775837 171086311 /nfs/dbraw/zinc/08/63/11/171086311.db2.gz OTVMUNARLBLWIE-JTQLQIEISA-N 1 0 169.268 1.413 50 0 ADAARO O=C(OCC1CC[NH2+]CC1)C1CCC1 42769268 171086388 /nfs/dbraw/zinc/08/63/88/171086388.db2.gz LWDPWXKTVWNLHO-UHFFFAOYSA-N 1 0 197.278 1.329 50 0 ADAARO c1ccc(CCCOC2C[NH2+]C2)cc1 42769759 171086401 /nfs/dbraw/zinc/08/64/01/171086401.db2.gz OYMDGHCTSJACIM-UHFFFAOYSA-N 1 0 191.274 1.608 50 0 in-vitro ADAARO O=C(OC[C@@H]1CC[NH2+]C1)C1CCCC1 42769381 171086434 /nfs/dbraw/zinc/08/64/34/171086434.db2.gz BSCZJOBVNHJKCM-SECBINFHSA-N 1 0 197.278 1.329 50 0 ADAARO [NH3+]C1(c2ccc(F)cc2F)CC1 42684214 171086452 /nfs/dbraw/zinc/08/64/52/171086452.db2.gz OJIDASXFYIADGO-UHFFFAOYSA-N 1 0 169.174 1.913 50 0 ADAARO O=C(OC1CC[NH2+]CC1)c1ccco1 42768424 171086490 /nfs/dbraw/zinc/08/64/90/171086490.db2.gz KIEGQIAALKHYBU-UHFFFAOYSA-N 1 0 195.218 1.188 50 0 ADAARO O=C(OCC[C@H]1CCC[NH2+]C1)C1CC1 42769197 171086498 /nfs/dbraw/zinc/08/64/98/171086498.db2.gz RPAAYHIWPRCLRW-SECBINFHSA-N 1 0 197.278 1.329 50 0 ADAARO C1C[NH2+]C[C@@H](CCOCC2CC2)C1 42771510 171086524 /nfs/dbraw/zinc/08/65/24/171086524.db2.gz YCDWFNJJLSHEHJ-SNVBAGLBSA-N 1 0 183.295 1.803 50 0 ADAARO c1cc(C2CC[NH2+]CC2)no1 82407668 171086540 /nfs/dbraw/zinc/08/65/40/171086540.db2.gz KGDGSULSAJSJRK-UHFFFAOYSA-N 1 0 152.197 1.142 50 0 ADAARO [NH3+]CC1CN(Cc2ccccc2)C1 42784291 171086576 /nfs/dbraw/zinc/08/65/76/171086576.db2.gz UMJRHEQDUBTCKT-UHFFFAOYSA-N 1 0 176.263 1.077 50 0 in-vitro ADAARO O=C(OCC[C@@H]1CCCC[NH2+]1)C1CC1 42769204 171086670 /nfs/dbraw/zinc/08/66/70/171086670.db2.gz VSQKLVUJNCXADK-JTQLQIEISA-N 1 0 197.278 1.472 50 0 ADAARO CC(C)O[C@H]1CCC[NH2+]C1 42783046 171086679 /nfs/dbraw/zinc/08/66/79/171086679.db2.gz OIELPWFWJPVOLK-QMMMGPOBSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO CC(=O)OCC[C@@H]1CCCC[NH2+]1 42768262 171086687 /nfs/dbraw/zinc/08/66/87/171086687.db2.gz WIPWXAVLRXNTIN-VIFPVBQESA-N 1 0 171.240 1.082 50 0 in-vitro ADAARO O=C(OC[C@@H]1CCC[NH2+]C1)C1CCC1 42769258 171086816 /nfs/dbraw/zinc/08/68/16/171086816.db2.gz MHEHQIXRGZFMTN-SECBINFHSA-N 1 0 197.278 1.329 50 0 ADAARO O=C(OC[C@@H]1CC[NH2+]C1)c1ccco1 42768463 171086882 /nfs/dbraw/zinc/08/68/82/171086882.db2.gz KZFSIQLWEHMIGE-MRVPVSSYSA-N 1 0 195.218 1.046 50 0 ADAARO C1C[NH2+]C[C@@H](C[C@H]2CCCO2)C1 42784226 171086928 /nfs/dbraw/zinc/08/69/28/171086928.db2.gz LJPKXPBVQJBBQK-NXEZZACHSA-N 1 0 169.268 1.555 50 0 ADAARO O=C(OC1CC[NH2+]CC1)C1CCC1 42769248 171086941 /nfs/dbraw/zinc/08/69/41/171086941.db2.gz POIABRXTFMXYEF-UHFFFAOYSA-N 1 0 183.251 1.082 50 0 ADAARO CC(=O)OCC[C@H]1CCCC[NH2+]1 42768266 171086951 /nfs/dbraw/zinc/08/69/51/171086951.db2.gz WIPWXAVLRXNTIN-SECBINFHSA-N 1 0 171.240 1.082 50 0 in-vitro ADAARO O=C(OCCC1CC[NH2+]CC1)C1CC1 42769192 171086977 /nfs/dbraw/zinc/08/69/77/171086977.db2.gz DMTFNUQHTHGMSF-UHFFFAOYSA-N 1 0 197.278 1.329 50 0 ADAARO CC(C)O[C@@H]1CCC[NH2+]C1 42783045 171086996 /nfs/dbraw/zinc/08/69/96/171086996.db2.gz OIELPWFWJPVOLK-MRVPVSSYSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO Cc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)C 43033990 171087146 /nfs/dbraw/zinc/08/71/46/171087146.db2.gz QVYNBHLPEFWUTQ-PWSUYJOCSA-N 1 0 192.306 1.945 50 0 in-vitro ADAARO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)C 43033993 171087161 /nfs/dbraw/zinc/08/71/61/171087161.db2.gz QVYNBHLPEFWUTQ-CMPLNLGQSA-N 1 0 192.306 1.945 50 0 in-vitro ADAARO Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)C 43033997 171087421 /nfs/dbraw/zinc/08/74/21/171087421.db2.gz QVYNBHLPEFWUTQ-JQWIXIFHSA-N 1 0 192.306 1.945 50 0 in-vitro ADAARO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)C 43033987 171087622 /nfs/dbraw/zinc/08/76/22/171087622.db2.gz QVYNBHLPEFWUTQ-ZYHUDNBSSA-N 1 0 192.306 1.945 50 0 in-vitro ADAARO OCC1(CC2CC2)CC[NH2+]CC1 43214546 171087728 /nfs/dbraw/zinc/08/77/28/171087728.db2.gz TVWRPVFPVCXLDG-UHFFFAOYSA-N 1 0 169.268 1.149 50 0 ADAARO [NH3+]C1CCN(c2cccs2)CC1 43470582 171087855 /nfs/dbraw/zinc/08/78/55/171087855.db2.gz QWGSAJHNEKGBAI-UHFFFAOYSA-N 1 0 182.292 1.676 50 0 ADAARO C[NH+](C)CCOc1ccc(N)c(F)c1 43472243 171088078 /nfs/dbraw/zinc/08/80/78/171088078.db2.gz BGNNUFQSAWSUFP-UHFFFAOYSA-N 1 0 198.241 1.348 50 0 ADAARO c1cnc(SC[C@H]2CCC[NH2+]2)nc1 43497284 171088259 /nfs/dbraw/zinc/08/82/59/171088259.db2.gz BZIQIBGXSXIAKQ-MRVPVSSYSA-N 1 0 195.291 1.321 50 0 ADAARO c1cnc(SC[C@@H]2CCC[NH2+]2)nc1 43497281 171088432 /nfs/dbraw/zinc/08/84/32/171088432.db2.gz BZIQIBGXSXIAKQ-QMMMGPOBSA-N 1 0 195.291 1.321 50 0 ADAARO Fc1ccc(C2C[NH2+]C2)cc1 44135302 171088768 /nfs/dbraw/zinc/08/87/68/171088768.db2.gz BGOBDSPEJCPSDK-UHFFFAOYSA-N 1 0 151.184 1.513 50 0 in-vitro ADAARO [NH3+]CC1CCC2(CC1)CC2 44137500 171088776 /nfs/dbraw/zinc/08/87/76/171088776.db2.gz JEDATJQHUZRDBE-UHFFFAOYSA-N 1 0 139.242 1.916 50 0 in-vitro ADAARO CN1CCOC12CCCCC2 44124585 171089038 /nfs/dbraw/zinc/08/90/38/171089038.db2.gz JBMZKDLFGCAZSS-UHFFFAOYSA-N 1 0 155.241 1.609 50 0 ADAARO CCCc1nccc(N)n1 44117039 171089148 /nfs/dbraw/zinc/08/91/48/171089148.db2.gz BTMCCOMLYMKBFL-UHFFFAOYSA-N 1 0 137.186 1.011 50 0 in-vitro ADAARO COc1ccccc1C1C[NH2+]C1 44135318 171089226 /nfs/dbraw/zinc/08/92/26/171089226.db2.gz OAIHBZYRTMWIAZ-UHFFFAOYSA-N 1 0 163.220 1.382 50 0 ADAARO NCC(Cl)(Cl)Cl 44236372 171089743 /nfs/dbraw/zinc/08/97/43/171089743.db2.gz FCLPGDSITYLYCH-UHFFFAOYSA-N 1 0 148.420 1.315 50 0 ADAARO [NH3+]C[C@H]1SCCc2ccccc21 44396419 171090405 /nfs/dbraw/zinc/09/04/05/171090405.db2.gz AHKCFHQFPBRVLQ-SNVBAGLBSA-N 1 0 179.288 1.976 50 0 in-vitro ADAARO c1ccc(CC[NH2+]C2CCC2)nc1 44480050 171090689 /nfs/dbraw/zinc/09/06/89/171090689.db2.gz SYYOHXKITKMJAV-UHFFFAOYSA-N 1 0 176.263 1.766 50 0 ADAARO [NH3+]C[C@@H]1SCCc2ccccc21 44396420 171090820 /nfs/dbraw/zinc/09/08/20/171090820.db2.gz AHKCFHQFPBRVLQ-JTQLQIEISA-N 1 0 179.288 1.976 50 0 in-vitro ADAARO F[C@@H]1CCC[NH2+]CC1 44682187 171091069 /nfs/dbraw/zinc/09/10/69/171091069.db2.gz DTWNFDNWLGXYGK-ZCFIWIBFSA-N 1 0 117.167 1.098 50 0 in-vitro ADAARO F[C@H]1CCC[NH2+]CC1 44682184 171091381 /nfs/dbraw/zinc/09/13/81/171091381.db2.gz DTWNFDNWLGXYGK-LURJTMIESA-N 1 0 117.167 1.098 50 0 in-vitro ADAARO CO[C@@H](C)CC1CC[NH2+]CC1 47218844 171093670 /nfs/dbraw/zinc/09/36/70/171093670.db2.gz IIFFPLLEOPKZSX-QMMMGPOBSA-N 1 0 157.257 1.411 50 0 ADAARO C1C[NH2+]CC2(C1)CCC2 47218680 171093909 /nfs/dbraw/zinc/09/39/09/171093909.db2.gz OSWZGWQDPZSXLZ-UHFFFAOYSA-N 1 0 125.215 1.540 50 0 in-vitro ADAARO [NH3+]Cc1ccc2ccoc2c1 47843927 171093998 /nfs/dbraw/zinc/09/39/98/171093998.db2.gz NBPDUBHQRMCPSY-UHFFFAOYSA-N 1 0 147.177 1.892 50 0 in-vitro ADAARO F[C@@H]1CCCC[NH2+]C1 47845078 171094008 /nfs/dbraw/zinc/09/40/08/171094008.db2.gz KXEWKVSEVOAHDZ-ZCFIWIBFSA-N 1 0 117.167 1.098 50 0 in-vitro ADAARO c1ccc(C[NH+]2CC3(COC3)C2)cc1 85223555 171094044 /nfs/dbraw/zinc/09/40/44/171094044.db2.gz TZPHFPFBMJKZRM-UHFFFAOYSA-N 1 0 189.258 1.519 50 0 in-vitro ADAARO F[C@H]1CCCC[NH2+]C1 47845080 171094180 /nfs/dbraw/zinc/09/41/80/171094180.db2.gz KXEWKVSEVOAHDZ-LURJTMIESA-N 1 0 117.167 1.098 50 0 in-vitro ADAARO [NH3+]C[C@](O)(c1cccs1)C1CC1 49805860 171094891 /nfs/dbraw/zinc/09/48/91/171094891.db2.gz QDWWUXYCZAGBEE-SECBINFHSA-N 1 0 183.276 1.304 50 0 ADAARO [NH3+]C[C@@](O)(c1ccccc1)C1CC1 49805389 171094931 /nfs/dbraw/zinc/09/49/31/171094931.db2.gz WQOWZFCVILEMHI-LLVKDONJSA-N 1 0 177.247 1.243 50 0 in-vitro ADAARO [NH3+]C[C@](O)(c1ccccc1)C1CC1 49805388 171095081 /nfs/dbraw/zinc/09/50/81/171095081.db2.gz WQOWZFCVILEMHI-NSHDSACASA-N 1 0 177.247 1.243 50 0 in-vitro ADAARO [NH3+]C[C@@](O)(c1cccs1)C1CC1 49805861 171095170 /nfs/dbraw/zinc/09/51/70/171095170.db2.gz QDWWUXYCZAGBEE-VIFPVBQESA-N 1 0 183.276 1.304 50 0 ADAARO COC(=O)[C@H]1CCC[N@@H+]1C(C)C 50048302 171095792 /nfs/dbraw/zinc/09/57/92/171095792.db2.gz YTIFBQSBPGXFTA-MRVPVSSYSA-N 1 0 171.240 1.032 50 0 ADAARO COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 50048630 171095802 /nfs/dbraw/zinc/09/58/02/171095802.db2.gz KQAXCXNWYARQJT-SNVBAGLBSA-N 1 0 197.278 1.566 50 0 ADAARO COC(=O)[C@@H]1CCC[N@@H+]1C(C)C 50048304 171095909 /nfs/dbraw/zinc/09/59/09/171095909.db2.gz YTIFBQSBPGXFTA-QMMMGPOBSA-N 1 0 171.240 1.032 50 0 ADAARO COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 50048627 171096051 /nfs/dbraw/zinc/09/60/51/171096051.db2.gz KQAXCXNWYARQJT-JTQLQIEISA-N 1 0 197.278 1.566 50 0 ADAARO CNc1ccc(C(N)=[NH2+])cc1 50891510 171096643 /nfs/dbraw/zinc/09/66/43/171096643.db2.gz TYYHBFZDQVQALI-UHFFFAOYSA-N 1 0 149.197 1.012 50 0 in-vitro ADAARO CCNc1ccc(C[NH3+])cc1 50423076 171096721 /nfs/dbraw/zinc/09/67/21/171096721.db2.gz GWWURTPZWURJSU-UHFFFAOYSA-N 1 0 150.225 1.577 50 0 in-vitro ADAARO CC(C)(C)C(=O)CN1CCC([NH3+])CC1 50878224 171096723 /nfs/dbraw/zinc/09/67/23/171096723.db2.gz TZZYFPPMUDBSHZ-UHFFFAOYSA-N 1 0 198.310 1.025 50 0 ADAARO Cc1ccccc1[C@@]1(C)C[C@@H]1[NH3+] 52126417 171097857 /nfs/dbraw/zinc/09/78/57/171097857.db2.gz FMRRZAORVSUICI-WDEREUQCSA-N 1 0 161.248 1.984 50 0 in-vitro ADAARO Cc1ccccc1[C@@]1(C)C[C@H]1[NH3+] 52126419 171097902 /nfs/dbraw/zinc/09/79/02/171097902.db2.gz FMRRZAORVSUICI-GHMZBOCLSA-N 1 0 161.248 1.984 50 0 in-vitro ADAARO [NH3+]C1(c2cccnc2)CCC1 51951745 171098057 /nfs/dbraw/zinc/09/80/57/171098057.db2.gz QATGFCHERVPRDB-UHFFFAOYSA-N 1 0 148.209 1.420 50 0 ADAARO CO[C@@H](C)C[NH2+]C(C)C 52602190 171098291 /nfs/dbraw/zinc/09/82/91/171098291.db2.gz QGJWIEAVYWXIQC-ZETCQYMHSA-N 1 0 131.219 1.019 50 0 in-vitro ADAARO CC(C)OC(=O)C[C@H]1CCC[NH2+]C1 54301741 171098401 /nfs/dbraw/zinc/09/84/01/171098401.db2.gz URVVAZWBCCYVRH-SECBINFHSA-N 1 0 185.267 1.328 50 0 in-vitro ADAARO CC(C)OC(=O)C[C@@H]1CCC[NH2+]C1 54301738 171098577 /nfs/dbraw/zinc/09/85/77/171098577.db2.gz URVVAZWBCCYVRH-VIFPVBQESA-N 1 0 185.267 1.328 50 0 in-vitro ADAARO [NH3+]C1CCC(n2cccc2)CC1 53711435 171098695 /nfs/dbraw/zinc/09/86/95/171098695.db2.gz JYECWVNTXCHDDX-UHFFFAOYSA-N 1 0 164.252 1.931 50 0 ADAARO [NH3+]C1(c2cccs2)CC1 52902404 171098906 /nfs/dbraw/zinc/09/89/06/171098906.db2.gz VEOLNRLGRHDDCI-UHFFFAOYSA-N 1 0 139.223 1.696 50 0 in-vitro ADAARO [NH3+]C1(Cc2ccccn2)CC1 54404919 171099078 /nfs/dbraw/zinc/09/90/78/171099078.db2.gz HUCWJXXWGJFMHW-UHFFFAOYSA-N 1 0 148.209 1.115 50 0 ADAARO [NH3+]C1(Cc2cccnc2)CC1 54404890 171099423 /nfs/dbraw/zinc/09/94/23/171099423.db2.gz PTKUXVABMLCKKD-UHFFFAOYSA-N 1 0 148.209 1.115 50 0 ADAARO COc1ccccc1SC1C[NH2+]C1 54931814 171099443 /nfs/dbraw/zinc/09/94/43/171099443.db2.gz DPUQKCIPCKGAPK-UHFFFAOYSA-N 1 0 195.287 1.759 50 0 ADAARO [NH3+]C1(CC(F)(F)F)CC1 54404911 171099483 /nfs/dbraw/zinc/09/94/83/171099483.db2.gz LAIOOOKWZHMCFM-UHFFFAOYSA-N 1 0 139.120 1.430 50 0 in-vitro ADAARO [NH3+]C1(c2ccncc2)CC1 54404923 171099511 /nfs/dbraw/zinc/09/95/11/171099511.db2.gz GOMKSDWWSUWVOG-UHFFFAOYSA-N 1 0 134.182 1.029 50 0 in-vitro ADAARO [NH3+]C1(c2ccsc2)CC1 54404888 171099531 /nfs/dbraw/zinc/09/95/31/171099531.db2.gz UKWHKEFOAFKCEY-UHFFFAOYSA-N 1 0 139.223 1.696 50 0 ADAARO [NH3+]C1(Cc2cccc(F)c2)CC1 54404897 171099654 /nfs/dbraw/zinc/09/96/54/171099654.db2.gz JXJCRLJQQGZDMN-UHFFFAOYSA-N 1 0 165.211 1.860 50 0 ADAARO Cc1ccccc1N1CC[C@@H](C[NH3+])C1 54956858 171099658 /nfs/dbraw/zinc/09/96/58/171099658.db2.gz SBEIJCPBPVLYAQ-NSHDSACASA-N 1 0 190.290 1.780 50 0 in-vitro ADAARO Cc1ccccc1N1CC[C@H](C[NH3+])C1 54956856 171099687 /nfs/dbraw/zinc/09/96/87/171099687.db2.gz SBEIJCPBPVLYAQ-LLVKDONJSA-N 1 0 190.290 1.780 50 0 in-vitro ADAARO [NH3+]C1(Cc2ccncc2)CC1 54404893 171099690 /nfs/dbraw/zinc/09/96/90/171099690.db2.gz GZGNPNRKIUMIRL-UHFFFAOYSA-N 1 0 148.209 1.115 50 0 ADAARO CC1(C)COC2(CC[NH2+]CC2)OC1 57218395 171099884 /nfs/dbraw/zinc/09/98/84/171099884.db2.gz YLYCRECLQBDSHW-UHFFFAOYSA-N 1 0 185.267 1.139 50 0 in-vitro ADAARO OC1(C(F)(F)F)C[C@@H]2CC[C@H](C1)[NH2+]2 57218900 171100104 /nfs/dbraw/zinc/10/01/04/171100104.db2.gz RZACNMVDSIXILK-MEKDEQNOSA-N 1 0 195.184 1.194 50 0 ADAARO [NH3+]C12CC(C(F)(F)F)(C1)C2 57219000 171100373 /nfs/dbraw/zinc/10/03/73/171100373.db2.gz XQLPDYULYMGLGG-UHFFFAOYSA-N 1 0 151.131 1.430 50 0 ADAARO Cc1ccccc1[C@@](C)(O)C[NH3+] 55032573 171100415 /nfs/dbraw/zinc/10/04/15/171100415.db2.gz WUAIBTUPDCVHPA-JTQLQIEISA-N 1 0 165.236 1.161 50 0 ADAARO OC1(C2CCCCC2)CC[NH2+]CC1 55189677 171100553 /nfs/dbraw/zinc/10/05/53/171100553.db2.gz AWNUCKUARQPKNM-UHFFFAOYSA-N 1 0 183.295 1.681 50 0 in-vitro ADAARO c1cnc2[nH]c3c(c2c1)CC[NH2+]C3 59572817 171101722 /nfs/dbraw/zinc/10/17/22/171101722.db2.gz NERRGHOQSMUIJO-UHFFFAOYSA-N 1 0 173.219 1.209 50 0 in-vitro ADAARO [NH3+]C1CCN(CCC(F)(F)F)CC1 60527965 171102188 /nfs/dbraw/zinc/10/21/88/171102188.db2.gz RXMBVCSHXNOZCE-UHFFFAOYSA-N 1 0 196.216 1.362 50 0 ADAARO [NH3+]C12CCC(CO)(CC1)CC2 59821637 171102219 /nfs/dbraw/zinc/10/22/19/171102219.db2.gz WMDXCIXGFGTWHC-UHFFFAOYSA-N 1 0 155.241 1.030 50 0 ADAARO CC(C)=C1CC[NH2+]CC1 60260117 171102322 /nfs/dbraw/zinc/10/23/22/171102322.db2.gz SRYVUMHANHOENO-UHFFFAOYSA-N 1 0 125.215 1.706 50 0 ADAARO COc1ccc2[nH]c([C@@H](C)[NH3+])nc2c1 62152795 171102902 /nfs/dbraw/zinc/10/29/02/171102902.db2.gz OBQGRTNYBGWKKA-ZCFIWIBFSA-N 1 0 191.234 1.591 50 0 ADAARO COc1ccc2[nH]c([C@H](C)[NH3+])nc2c1 62152794 171102978 /nfs/dbraw/zinc/10/29/78/171102978.db2.gz OBQGRTNYBGWKKA-LURJTMIESA-N 1 0 191.234 1.591 50 0 ADAARO C1C[NH2+]C[C@@H](c2noc(C3CC3)n2)C1 62257526 171103025 /nfs/dbraw/zinc/10/30/25/171103025.db2.gz ZHBNOZACIAFFKF-QMMMGPOBSA-N 1 0 193.250 1.414 50 0 in-vitro ADAARO [NH3+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 62713517 171103574 /nfs/dbraw/zinc/10/35/74/171103574.db2.gz CQHSKJXEMIFYEG-WDEREUQCSA-N 1 0 195.237 1.250 50 0 in-vitro ADAARO [NH3+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 62713523 171103778 /nfs/dbraw/zinc/10/37/78/171103778.db2.gz CQHSKJXEMIFYEG-QWRGUYRKSA-N 1 0 195.237 1.250 50 0 in-vitro ADAARO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 62713520 171103836 /nfs/dbraw/zinc/10/38/36/171103836.db2.gz CQHSKJXEMIFYEG-GHMZBOCLSA-N 1 0 195.237 1.250 50 0 in-vitro ADAARO CN(C)c1ccc(C(N)=[NH2+])cc1Cl 62793958 171103856 /nfs/dbraw/zinc/10/38/56/171103856.db2.gz VLIRUYGJJADBNW-UHFFFAOYSA-N 1 0 197.669 1.690 50 0 ADAARO [NH3+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 62713526 171103882 /nfs/dbraw/zinc/10/38/82/171103882.db2.gz CQHSKJXEMIFYEG-MNOVXSKESA-N 1 0 195.237 1.250 50 0 in-vitro ADAARO [NH3+]Cc1ccc2cccnc2c1 66322808 171104313 /nfs/dbraw/zinc/10/43/13/171104313.db2.gz URZJLQQKSKBTAG-UHFFFAOYSA-N 1 0 158.204 1.694 50 0 in-vitro ADAARO [NH3+]C1(c2ccccc2Cl)COC1 67802750 171104788 /nfs/dbraw/zinc/10/47/88/171104788.db2.gz VAGYCZKWBKRYRT-UHFFFAOYSA-N 1 0 183.638 1.524 50 0 ADAARO Cc1ccccc1C1([NH3+])COC1 67802759 171104805 /nfs/dbraw/zinc/10/48/05/171104805.db2.gz GIYISTCWVITBTR-UHFFFAOYSA-N 1 0 163.220 1.179 50 0 ADAARO [NH3+]C1(c2cccc(F)c2)COC1 67802748 171104879 /nfs/dbraw/zinc/10/48/79/171104879.db2.gz PSDJGNPRMMIFOB-UHFFFAOYSA-N 1 0 167.183 1.010 50 0 in-vitro ADAARO c1ccc(CN2CC3(C[NH2+]C3)C2)cc1 66339748 171104934 /nfs/dbraw/zinc/10/49/34/171104934.db2.gz BSGJWDYVBDFDFI-UHFFFAOYSA-N 1 0 188.274 1.092 50 0 in-vitro ADAARO [NH3+]C1(c2ccccc2F)COC1 67802746 171104937 /nfs/dbraw/zinc/10/49/37/171104937.db2.gz FWVYEOPTLQTOLQ-UHFFFAOYSA-N 1 0 167.183 1.010 50 0 ADAARO [NH3+]C1(c2cccc(Cl)c2)COC1 67802752 171105050 /nfs/dbraw/zinc/10/50/50/171105050.db2.gz RIWUKKHBJOMCEL-UHFFFAOYSA-N 1 0 183.638 1.524 50 0 in-vitro ADAARO [NH3+]C1(c2ccc(F)cc2)COC1 67802749 171105127 /nfs/dbraw/zinc/10/51/27/171105127.db2.gz ZFYBRHUYNCEPPR-UHFFFAOYSA-N 1 0 167.183 1.010 50 0 in-vitro ADAARO [NH3+]CC1(c2ccccc2)CC(=O)C1 68575295 171105136 /nfs/dbraw/zinc/10/51/36/171105136.db2.gz AVGNLEOGTVRXEK-UHFFFAOYSA-N 1 0 175.231 1.246 50 0 ADAARO CC(C)(C)[C@@H]([NH3+])COC(F)(F)F 68576572 171105335 /nfs/dbraw/zinc/10/53/35/171105335.db2.gz WMQCNSPADBNHFT-YFKPBYRVSA-N 1 0 185.189 1.896 50 0 ADAARO C1C[NH2+]CC2(C1)CC2 66354579 171105367 /nfs/dbraw/zinc/10/53/67/171105367.db2.gz UNOMGZZFCMNBCN-UHFFFAOYSA-N 1 0 111.188 1.150 50 0 in-vitro ADAARO [NH3+]C1(c2ccc(Cl)cc2)COC1 67173987 171105383 /nfs/dbraw/zinc/10/53/83/171105383.db2.gz FQUPJAVDXIORJK-UHFFFAOYSA-N 1 0 183.638 1.524 50 0 in-vitro ADAARO [NH3+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 69386121 171105501 /nfs/dbraw/zinc/10/55/01/171105501.db2.gz LBZPPFQFWUNZAQ-BQBZGAKWSA-N 1 0 197.200 1.429 50 0 ADAARO CC(=O)Nc1ccccc1C[NH3+] 70162332 171105593 /nfs/dbraw/zinc/10/55/93/171105593.db2.gz AQBIIRHDGPBWRV-UHFFFAOYSA-N 1 0 164.208 1.104 50 0 ADAARO CC(C)OC(=O)CC[C@H](C)[NH3+] 69838537 171105603 /nfs/dbraw/zinc/10/56/03/171105603.db2.gz GTZHWPIEHRSDHP-ZETCQYMHSA-N 1 0 159.229 1.065 50 0 in-vitro ADAARO [NH3+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 69386129 171105703 /nfs/dbraw/zinc/10/57/03/171105703.db2.gz LBZPPFQFWUNZAQ-RQJHMYQMSA-N 1 0 197.200 1.429 50 0 ADAARO [NH3+]C[C@@]1(CO)C[C@H]1c1ccccc1 70500412 171105811 /nfs/dbraw/zinc/10/58/11/171105811.db2.gz VWEDBTNDEHYUBZ-WDEREUQCSA-N 1 0 177.247 1.111 50 0 in-vitro ADAARO [NH3+]C1(c2ccoc2)CC1 69947120 171105831 /nfs/dbraw/zinc/10/58/31/171105831.db2.gz VJMVHBXQPOWTTG-UHFFFAOYSA-N 1 0 123.155 1.227 50 0 ADAARO CCCc1nccn1[C@@H]1CCC[NH2+]C1 69964142 171105840 /nfs/dbraw/zinc/10/58/40/171105840.db2.gz IKQUMFGAGSMFMY-SNVBAGLBSA-N 1 0 193.294 1.760 50 0 ADAARO CC(C)OC(=O)CC[C@@H](C)[NH3+] 69838536 171105897 /nfs/dbraw/zinc/10/58/97/171105897.db2.gz GTZHWPIEHRSDHP-SSDOTTSWSA-N 1 0 159.229 1.065 50 0 in-vitro ADAARO [NH3+]C[C@@]1(CO)C[C@@H]1c1ccccc1 70500414 171105924 /nfs/dbraw/zinc/10/59/24/171105924.db2.gz VWEDBTNDEHYUBZ-GHMZBOCLSA-N 1 0 177.247 1.111 50 0 in-vitro ADAARO CCCc1nccn1[C@H]1CCC[NH2+]C1 69964145 171105964 /nfs/dbraw/zinc/10/59/64/171105964.db2.gz IKQUMFGAGSMFMY-JTQLQIEISA-N 1 0 193.294 1.760 50 0 ADAARO C1C[NH2+]C[C@@]2(C1)CCCOC2 70063938 171106019 /nfs/dbraw/zinc/10/60/19/171106019.db2.gz YXDVRIQBOMUBEQ-SECBINFHSA-N 1 0 155.241 1.167 50 0 in-vitro ADAARO [NH3+]C[C@]1(CO)C[C@H]1c1ccccc1 70500417 171106109 /nfs/dbraw/zinc/10/61/09/171106109.db2.gz VWEDBTNDEHYUBZ-QWRGUYRKSA-N 1 0 177.247 1.111 50 0 in-vitro ADAARO [NH3+]C[C@]1(CO)C[C@@H]1c1ccccc1 70500419 171106142 /nfs/dbraw/zinc/10/61/42/171106142.db2.gz VWEDBTNDEHYUBZ-MNOVXSKESA-N 1 0 177.247 1.111 50 0 in-vitro ADAARO [NH3+]C1CCC2(CC1)CC2 71256311 171106361 /nfs/dbraw/zinc/10/63/61/171106361.db2.gz XKPDOWURXRJLMO-UHFFFAOYSA-N 1 0 125.215 1.668 50 0 in-vitro ADAARO c1cnc([C@@H]2CCCC[NH2+]2)nc1 70946819 171106377 /nfs/dbraw/zinc/10/63/77/171106377.db2.gz IHSZCLIJZRUESK-QMMMGPOBSA-N 1 0 163.224 1.291 50 0 ADAARO CCCc1nccn1CCC[NH3+] 70621808 171106489 /nfs/dbraw/zinc/10/64/89/171106489.db2.gz HUJHOLGCXKBRLW-UHFFFAOYSA-N 1 0 167.256 1.184 50 0 ADAARO c1cnc([C@H]2CCCC[NH2+]2)nc1 70946821 171106567 /nfs/dbraw/zinc/10/65/67/171106567.db2.gz IHSZCLIJZRUESK-MRVPVSSYSA-N 1 0 163.224 1.291 50 0 ADAARO CC[C@@H]1CCC[C@](O)(C[NH3+])C1 70621912 171106616 /nfs/dbraw/zinc/10/66/16/171106616.db2.gz JGBZVFRUGAMIFA-RKDXNWHRSA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO Cc1ccnc(C(C)(C)C[NH3+])c1 71256056 171106641 /nfs/dbraw/zinc/10/66/41/171106641.db2.gz QILOPDWWESDMOL-UHFFFAOYSA-N 1 0 164.252 1.626 50 0 ADAARO c1ccc(CC[NH2+][C@H]2CCOC2)cc1 70963878 171106669 /nfs/dbraw/zinc/10/66/69/171106669.db2.gz ZNABRUWZGYVTLX-LBPRGKRZSA-N 1 0 191.274 1.608 50 0 in-vitro ADAARO C1C[NH2+]C[C@@H](C2CC2)C1 70632168 171106673 /nfs/dbraw/zinc/10/66/73/171106673.db2.gz DNDDMRYQURLRMY-QMMMGPOBSA-N 1 0 125.215 1.396 50 0 in-vitro ADAARO C[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1 70632666 171106710 /nfs/dbraw/zinc/10/67/10/171106710.db2.gz XYPLIXZKIGGOEU-NTSWFWBYSA-N 1 0 167.174 1.937 50 0 in-vitro ADAARO C1C[NH2+]C[C@H](C2CC2)C1 70632170 171106826 /nfs/dbraw/zinc/10/68/26/171106826.db2.gz DNDDMRYQURLRMY-MRVPVSSYSA-N 1 0 125.215 1.396 50 0 in-vitro ADAARO c1ccc(CC[NH2+][C@@H]2CCOC2)cc1 70963875 171106883 /nfs/dbraw/zinc/10/68/83/171106883.db2.gz ZNABRUWZGYVTLX-GFCCVEGCSA-N 1 0 191.274 1.608 50 0 in-vitro ADAARO C[S@@](=O)C[C@@H]([NH3+])c1ccccc1 71373316 171107097 /nfs/dbraw/zinc/10/70/97/171107097.db2.gz XYQCUGXQYRHLAX-SKDRFNHKSA-N 1 0 183.276 1.065 50 0 ADAARO Oc1cccc([C@H]2CCC[NH2+]2)c1 71482742 171107413 /nfs/dbraw/zinc/10/74/13/171107413.db2.gz DSELUURJNITILG-SNVBAGLBSA-N 1 0 163.220 1.817 50 0 in-vitro ADAARO CCSC1(C[NH3+])CCOCC1 71383289 171107415 /nfs/dbraw/zinc/10/74/15/171107415.db2.gz AJNJTEJEDRUTIT-UHFFFAOYSA-N 1 0 175.297 1.247 50 0 in-vitro ADAARO [NH3+]CC1(Cc2ccccc2)CC1 71483004 171107532 /nfs/dbraw/zinc/10/75/32/171107532.db2.gz MIVHNNWMFIPWIF-UHFFFAOYSA-N 1 0 161.248 1.968 50 0 in-vitro ADAARO C[S@@](=O)C[C@H]([NH3+])c1ccccc1 71373313 171107588 /nfs/dbraw/zinc/10/75/88/171107588.db2.gz XYQCUGXQYRHLAX-CABZTGNLSA-N 1 0 183.276 1.065 50 0 ADAARO Cc1ccccc1C(=O)C(C)(C)[NH3+] 71497223 171107858 /nfs/dbraw/zinc/10/78/58/171107858.db2.gz NBQLJDWKSRKHOU-UHFFFAOYSA-N 1 0 177.247 1.915 50 0 ADAARO COc1ccccc1C(=O)C(C)(C)[NH3+] 71506284 171107902 /nfs/dbraw/zinc/10/79/02/171107902.db2.gz YWXIBPLFLQYEIP-UHFFFAOYSA-N 1 0 193.246 1.615 50 0 ADAARO [NH3+]CC1(c2ccc(F)cc2F)CC1 71499287 171108056 /nfs/dbraw/zinc/10/80/56/171108056.db2.gz KCCAQFQPSMPPLS-UHFFFAOYSA-N 1 0 183.201 1.955 50 0 ADAARO CC(C)C(=O)C(C)(C)C1=[NH+]CCN1 71773923 171108387 /nfs/dbraw/zinc/10/83/87/171108387.db2.gz BYUBYEJGPJIYIB-UHFFFAOYSA-N 1 0 182.267 1.239 50 0 ADAARO C[NH+]1CCC(F)(F)CC1 71773572 171108509 /nfs/dbraw/zinc/10/85/09/171108509.db2.gz LFHMKODCPPOLIB-UHFFFAOYSA-N 1 0 135.157 1.347 50 0 in-vitro ADAARO [NH3+]C1(c2ccc(F)cc2)CC(O)C1 71654937 171108558 /nfs/dbraw/zinc/10/85/58/171108558.db2.gz ARNMVXDEMUCVNO-UHFFFAOYSA-N 1 0 181.210 1.134 50 0 ADAARO [NH3+]C1(c2ccc(Cl)cc2)CC(O)C1 71654936 171108687 /nfs/dbraw/zinc/10/86/87/171108687.db2.gz GXYJVPQFSRJBFI-UHFFFAOYSA-N 1 0 197.665 1.649 50 0 ADAARO c1ccc(CN2CCC23C[NH2+]C3)cc1 72194329 171109663 /nfs/dbraw/zinc/10/96/63/171109663.db2.gz CNNOPAFADPEJRD-UHFFFAOYSA-N 1 0 188.274 1.234 50 0 in-vitro ADAARO [NH3+]CC1CC(OCc2ccccc2)C1 72208876 171110007 /nfs/dbraw/zinc/11/00/07/171110007.db2.gz UETORNMTFRTONA-UHFFFAOYSA-N 1 0 191.274 1.941 50 0 in-vitro ADAARO O=c1[nH]cccc1[C@@H]1CCCC[NH2+]1 72212318 171110027 /nfs/dbraw/zinc/11/00/27/171110027.db2.gz FRUUQMLOMWUDJE-VIFPVBQESA-N 1 0 178.235 1.602 50 0 ADAARO C=Cc1cc(N)cc[nH+]1 72230717 171110147 /nfs/dbraw/zinc/11/01/47/171110147.db2.gz PIARMBBJTBYGDD-UHFFFAOYSA-N 1 0 120.155 1.307 50 0 ADAARO O=c1[nH]cccc1[C@H]1CCCC[NH2+]1 72212319 171110166 /nfs/dbraw/zinc/11/01/66/171110166.db2.gz FRUUQMLOMWUDJE-SECBINFHSA-N 1 0 178.235 1.602 50 0 ADAARO O[C@@H](C[C@@H]1CCC[NH2+]1)c1cccs1 72314395 171111106 /nfs/dbraw/zinc/11/11/06/171111106.db2.gz YPDAPHZLNYDPBN-IUCAKERBSA-N 1 0 197.303 1.924 50 0 ADAARO [NH3+]C1CCC2(CCOCC2)CC1 72314764 171111111 /nfs/dbraw/zinc/11/11/11/171111111.db2.gz YYGKOWZTKSYOLM-UHFFFAOYSA-N 1 0 169.268 1.685 50 0 in-vitro ADAARO [NH3+]C1(c2cccc(Cl)n2)CC1 75085419 171111706 /nfs/dbraw/zinc/11/17/06/171111706.db2.gz OULHYYRPMQERTQ-UHFFFAOYSA-N 1 0 168.627 1.683 50 0 ADAARO [NH3+]CC1(c2cccc(Cl)c2)COC1 75124355 171111734 /nfs/dbraw/zinc/11/17/34/171111734.db2.gz MPCVOUQUNUQYNX-UHFFFAOYSA-N 1 0 197.665 1.567 50 0 ADAARO [NH3+]CC1(Cc2cccnc2)CC1 74341373 171111803 /nfs/dbraw/zinc/11/18/03/171111803.db2.gz VBTHMSBEQUAEKH-UHFFFAOYSA-N 1 0 162.236 1.363 50 0 ADAARO C1C[NH2+]C[C@@H]([C@@H]2CCOC2)C1 74342654 171111905 /nfs/dbraw/zinc/11/19/05/171111905.db2.gz HAAZITJLWXQIIU-DTWKUNHWSA-N 1 0 155.241 1.023 50 0 in-vitro ADAARO [NH3+]CC1(CCO)CCCCC1 74941705 171111953 /nfs/dbraw/zinc/11/19/53/171111953.db2.gz WISBKHAYYRCBOL-UHFFFAOYSA-N 1 0 157.257 1.278 50 0 in-vitro ADAARO [NH3+]C[C@H]1OCCc2ccsc21 74942481 171112048 /nfs/dbraw/zinc/11/20/48/171112048.db2.gz RUVLCKYDYIYWBH-SSDOTTSWSA-N 1 0 169.249 1.321 50 0 ADAARO C1C[NH2+]C[C@@H]([C@H]2CCOC2)C1 74342656 171112105 /nfs/dbraw/zinc/11/21/05/171112105.db2.gz HAAZITJLWXQIIU-IUCAKERBSA-N 1 0 155.241 1.023 50 0 in-vitro ADAARO [NH3+]Cc1ccc2ncoc2c1 75410643 171112109 /nfs/dbraw/zinc/11/21/09/171112109.db2.gz IOKCGCQCJAGOCL-UHFFFAOYSA-N 1 0 148.165 1.287 50 0 ADAARO O[C@@H](C[C@@H]1CCC[NH2+]1)c1ccco1 75110357 171112127 /nfs/dbraw/zinc/11/21/27/171112127.db2.gz WFLJBRRIRXFMNI-IUCAKERBSA-N 1 0 181.235 1.455 50 0 in-vitro ADAARO [NH3+]C[C@@H]1OCCc2ccsc21 74942483 171112167 /nfs/dbraw/zinc/11/21/67/171112167.db2.gz RUVLCKYDYIYWBH-ZETCQYMHSA-N 1 0 169.249 1.321 50 0 ADAARO CC(C)=C(Br)C[NH3+] 75545919 171113052 /nfs/dbraw/zinc/11/30/52/171113052.db2.gz OQAHIYFCTDOCEG-UHFFFAOYSA-N 1 0 164.046 1.634 50 0 ADAARO CC1(C)OCCC12CC[NH2+]CC2 75629402 171114416 /nfs/dbraw/zinc/11/44/16/171114416.db2.gz VBFWOAOPBSWXNQ-UHFFFAOYSA-N 1 0 169.268 1.555 50 0 in-vitro ADAARO CN(C)c1ccc(C(N)=[NH2+])c(F)c1 75847660 171115162 /nfs/dbraw/zinc/11/51/62/171115162.db2.gz WJQMUGXEJSQIOI-UHFFFAOYSA-N 1 0 181.214 1.176 50 0 in-vitro ADAARO Oc1cccc([C@H]2CCC[NH2+]C2)c1F 75905384 171115443 /nfs/dbraw/zinc/11/54/43/171115443.db2.gz DLDDQSZKSNFFLZ-QMMMGPOBSA-N 1 0 195.237 1.998 50 0 ADAARO c1csc(CNC2=[NH+]CCCN2)c1 69779657 171116020 /nfs/dbraw/zinc/11/60/20/171116020.db2.gz ZITYJSQMSQUYGF-UHFFFAOYSA-N 1 0 195.291 1.187 50 0 ADAARO Oc1cccc([C@@H]2CCC[NH2+]C2)c1F 75905382 171116037 /nfs/dbraw/zinc/11/60/37/171116037.db2.gz DLDDQSZKSNFFLZ-MRVPVSSYSA-N 1 0 195.237 1.998 50 0 ADAARO [NH3+]C[C@]12CCCC[C@H]1C2 76571195 171116355 /nfs/dbraw/zinc/11/63/55/171116355.db2.gz KPKYDJLJDIWODE-JGVFFNPUSA-N 1 0 125.215 1.525 50 0 ADAARO [NH3+]CC1CCC2(CC1)COC2 76590782 171117201 /nfs/dbraw/zinc/11/72/01/171117201.db2.gz FUZYOWNKZDPRNX-UHFFFAOYSA-N 1 0 155.241 1.152 50 0 in-vitro ADAARO [NH3+]CC1(c2ccc(F)cc2)COC1 76605049 171118573 /nfs/dbraw/zinc/11/85/73/171118573.db2.gz PLWVPFVKHPWWMH-UHFFFAOYSA-N 1 0 181.210 1.052 50 0 ADAARO [NH3+]CC1(c2cccc(F)c2)COC1 76605045 171118587 /nfs/dbraw/zinc/11/85/87/171118587.db2.gz RDGQGNJWJLKNOI-UHFFFAOYSA-N 1 0 181.210 1.052 50 0 ADAARO CCOC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 78210689 171120159 /nfs/dbraw/zinc/12/01/59/171120159.db2.gz ZAUIGKXNVYGUTL-NXEZZACHSA-N 1 0 199.294 1.575 50 0 ADAARO CCOC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 78210691 171120646 /nfs/dbraw/zinc/12/06/46/171120646.db2.gz ZAUIGKXNVYGUTL-ZJUUUORDSA-N 1 0 199.294 1.575 50 0 ADAARO [NH3+]CC1([C@@H](O)c2ccccc2)CC1 82164465 171120905 /nfs/dbraw/zinc/12/09/05/171120905.db2.gz BQVTURXDLVTTFG-JTQLQIEISA-N 1 0 177.247 1.459 50 0 in-vitro ADAARO [NH3+]CC1([C@H](O)c2ccccc2)CC1 82164467 171121115 /nfs/dbraw/zinc/12/11/15/171121115.db2.gz BQVTURXDLVTTFG-SNVBAGLBSA-N 1 0 177.247 1.459 50 0 in-vitro ADAARO [NH3+]C[C@@H]1[C@H]2Cc3ccccc3[C@H]21 79108092 171121123 /nfs/dbraw/zinc/12/11/23/171121123.db2.gz PZEXUADMOKPQOB-GMTAPVOTSA-N 1 0 159.232 1.531 50 0 in-vitro ADAARO [NH3+]C1(c2ccc(F)cn2)CC1 78676247 171121127 /nfs/dbraw/zinc/12/11/27/171121127.db2.gz GHCBVIGAJKYRNE-UHFFFAOYSA-N 1 0 152.172 1.169 50 0 in-vitro ADAARO [NH3+]C[C@H]1[C@H]2c3ccccc3C[C@H]21 79108096 171121133 /nfs/dbraw/zinc/12/11/33/171121133.db2.gz PZEXUADMOKPQOB-AXFHLTTASA-N 1 0 159.232 1.531 50 0 in-vitro ADAARO [NH3+]C[C@@H]1[C@H]2CCc3ccccc3[C@H]21 82163888 171121191 /nfs/dbraw/zinc/12/11/91/171121191.db2.gz LTVYOCMLTJJDDD-IJLUTSLNSA-N 1 0 173.259 1.921 50 0 in-vitro ADAARO [NH3+]C[C@H]1[C@H]2c3ccccc3CC[C@H]21 82163890 171121304 /nfs/dbraw/zinc/12/13/04/171121304.db2.gz LTVYOCMLTJJDDD-TUAOUCFPSA-N 1 0 173.259 1.921 50 0 in-vitro ADAARO [NH3+]CC1(C2CC2)CCC1 82164537 171121658 /nfs/dbraw/zinc/12/16/58/171121658.db2.gz MNLAAIACCBZZSC-UHFFFAOYSA-N 1 0 125.215 1.525 50 0 in-vitro ADAARO FC(F)(F)c1ncn2c1C[NH2+]CC2 82389835 171121715 /nfs/dbraw/zinc/12/17/15/171121715.db2.gz OFTKANUKPVMGFH-UHFFFAOYSA-N 1 0 191.156 1.005 50 0 ADAARO C1C[NH2+]C[C@@]2(C1)CCSC2 82405819 171122316 /nfs/dbraw/zinc/12/23/16/171122316.db2.gz FBSCSPRKSOFKPP-MRVPVSSYSA-N 1 0 157.282 1.493 50 0 ADAARO [NH3+]CC1(c2ccsc2)CC1 82407238 171122373 /nfs/dbraw/zinc/12/23/73/171122373.db2.gz UTXOUGZJYCDQOQ-UHFFFAOYSA-N 1 0 153.250 1.738 50 0 ADAARO CN1CCC[C@@H]([NH3+])c2ccccc21 82398639 171122691 /nfs/dbraw/zinc/12/26/91/171122691.db2.gz PDQVHQFMLCZJPB-SNVBAGLBSA-N 1 0 176.263 1.916 50 0 ADAARO C1C[NH2+]C[C@@H](C[C@@H]2CCOC2)C1 82457330 171123160 /nfs/dbraw/zinc/12/31/60/171123160.db2.gz YESNEDJMLRFJMM-ZJUUUORDSA-N 1 0 169.268 1.413 50 0 in-vitro ADAARO [NH3+]CC1(C(F)(F)F)CC1 82410583 171123205 /nfs/dbraw/zinc/12/32/05/171123205.db2.gz LQOSVMQJSLKKRK-UHFFFAOYSA-N 1 0 139.120 1.288 50 0 in-vitro ADAARO C1C[NH2+]C[C@@H](C[C@H]2CCOC2)C1 82457332 171123219 /nfs/dbraw/zinc/12/32/19/171123219.db2.gz YESNEDJMLRFJMM-NXEZZACHSA-N 1 0 169.268 1.413 50 0 in-vitro ADAARO [NH3+]CC(=O)C1CCCCC1 82409950 171123248 /nfs/dbraw/zinc/12/32/48/171123248.db2.gz IGHMPJLCFPTLSY-UHFFFAOYSA-N 1 0 141.214 1.095 50 0 in-vitro ADAARO C1C[NH2+]CCC2(C1)CCC2 82410392 171123345 /nfs/dbraw/zinc/12/33/45/171123345.db2.gz VCSWIDPMTFSITK-UHFFFAOYSA-N 1 0 139.242 1.930 50 0 ADAARO Cc1ccnc(C(C)(C)[NH3+])c1 82408348 171123455 /nfs/dbraw/zinc/12/34/55/171123455.db2.gz JREFPXGZGLRKDS-UHFFFAOYSA-N 1 0 150.225 1.584 50 0 ADAARO [NH3+]CC(=O)CC1CCCCC1 82632106 171123542 /nfs/dbraw/zinc/12/35/42/171123542.db2.gz QTKZRYJMNDILAX-UHFFFAOYSA-N 1 0 155.241 1.485 50 0 ADAARO C[S@@](=O)Cc1ccc(C[NH3+])cc1 82635503 171124253 /nfs/dbraw/zinc/12/42/53/171124253.db2.gz XEDKLQNRUFCKIS-LBPRGKRZSA-N 1 0 183.276 1.024 50 0 in-vitro ADAARO [NH3+]CC(=O)Cc1ccccc1Cl 82635536 171124274 /nfs/dbraw/zinc/12/42/74/171124274.db2.gz AQENHVXYPKXBLL-UHFFFAOYSA-N 1 0 183.638 1.410 50 0 ADAARO [NH3+]CC1(c2ccccn2)CCOCC1 82703733 171124697 /nfs/dbraw/zinc/12/46/97/171124697.db2.gz JDICHBNUVLHXCN-UHFFFAOYSA-N 1 0 192.262 1.089 50 0 ADAARO C[C@H]1CCSCC[NH2+]1 82730677 171124747 /nfs/dbraw/zinc/12/47/47/171124747.db2.gz JDZGEWJZJFNIGZ-LURJTMIESA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO [NH3+]CC1(C2CC2)CC1 82828815 171124807 /nfs/dbraw/zinc/12/48/07/171124807.db2.gz BLOQUSDJULIXQE-UHFFFAOYSA-N 1 0 111.188 1.135 50 0 in-vitro ADAARO [NH3+]CC1(c2cccnc2)CCOCC1 82703736 171124909 /nfs/dbraw/zinc/12/49/09/171124909.db2.gz BRDSLSMNHRDUEN-UHFFFAOYSA-N 1 0 192.262 1.089 50 0 ADAARO [NH3+]CC1(C2CC2)CCCC1 82837718 171125195 /nfs/dbraw/zinc/12/51/95/171125195.db2.gz MNEIDSHJYRMOPD-UHFFFAOYSA-N 1 0 139.242 1.916 50 0 ADAARO Cc1ccnc(C2(C[NH3+])CC2)c1 82850582 171125204 /nfs/dbraw/zinc/12/52/04/171125204.db2.gz TZVWAAUXVCOHDY-UHFFFAOYSA-N 1 0 162.236 1.380 50 0 ADAARO [NH3+]CC1(C(F)(F)F)CCC1 82841929 171125650 /nfs/dbraw/zinc/12/56/50/171125650.db2.gz RWCORNWVMMMPDS-UHFFFAOYSA-N 1 0 153.147 1.678 50 0 in-vitro ADAARO COc1ccc2n[nH]c(C[NH3+])c2c1 82869684 171126447 /nfs/dbraw/zinc/12/64/47/171126447.db2.gz NPTNSGBJBPDCOQ-UHFFFAOYSA-N 1 0 177.207 1.030 50 0 in-vitro ADAARO [NH3+]CC1(c2ccsc2)CCOCC1 82910769 171127687 /nfs/dbraw/zinc/12/76/87/171127687.db2.gz QJNKQIUFMNLTRX-UHFFFAOYSA-N 1 0 197.303 1.755 50 0 ADAARO [NH3+]CC1(c2ccncc2)CCOCC1 82891266 171127959 /nfs/dbraw/zinc/12/79/59/171127959.db2.gz MVDJMLBQMPCOPV-UHFFFAOYSA-N 1 0 192.262 1.089 50 0 ADAARO [NH3+]CC1CC2(CCC2)C1 83174166 171128359 /nfs/dbraw/zinc/12/83/59/171128359.db2.gz IYNOQFFDELCIEP-UHFFFAOYSA-N 1 0 125.215 1.525 50 0 in-vitro ADAARO [NH3+]CC1(CO)CC(c2ccccc2)C1 83181759 171128402 /nfs/dbraw/zinc/12/84/02/171128402.db2.gz LFRAOCXGKHVTGE-UHFFFAOYSA-N 1 0 191.274 1.501 50 0 in-vitro ADAARO C1C[NH2+]C2(C1)CCC2 83267246 171128523 /nfs/dbraw/zinc/12/85/23/171128523.db2.gz FOMNEVDLMZUAJY-UHFFFAOYSA-N 1 0 111.188 1.293 50 0 in-vitro ADAARO OC1(c2ccc(Cl)cc2)C[NH2+]C1 83119882 171128707 /nfs/dbraw/zinc/12/87/07/171128707.db2.gz BARYTINEZPGMMC-UHFFFAOYSA-N 1 0 183.638 1.131 50 0 ADAARO [NH3+]CC12CCC(CC1)C2 83255495 171128781 /nfs/dbraw/zinc/12/87/81/171128781.db2.gz CKDSFRWKHBYHHT-UHFFFAOYSA-N 1 0 125.215 1.525 50 0 in-vitro ADAARO [NH3+]C1(Cc2ccccn2)CCOCC1 83950976 171130960 /nfs/dbraw/zinc/13/09/60/171130960.db2.gz HBCLKMLYIHALDB-UHFFFAOYSA-N 1 0 192.262 1.132 50 0 ADAARO [NH3+]C1(Cc2ccncc2)CCOCC1 83950977 171130982 /nfs/dbraw/zinc/13/09/82/171130982.db2.gz HMLKTVGUMWYWHN-UHFFFAOYSA-N 1 0 192.262 1.132 50 0 ADAARO [NH3+]C1(Cc2ccc(O)cc2)CC1 83825552 171131154 /nfs/dbraw/zinc/13/11/54/171131154.db2.gz ZMQNHGJGVSISCW-UHFFFAOYSA-N 1 0 163.220 1.426 50 0 ADAARO C[NH+]1CCC(O)(c2ccsc2)CC1 83447517 171131176 /nfs/dbraw/zinc/13/11/76/171131176.db2.gz UHVQRLBXZIYBTP-UHFFFAOYSA-N 1 0 197.303 1.661 50 0 ADAARO [NH3+]C1(c2ccc(O)cc2)CC1 84328105 171131713 /nfs/dbraw/zinc/13/17/13/171131713.db2.gz ABCFRVGOTIGJJP-UHFFFAOYSA-N 1 0 149.193 1.340 50 0 ADAARO O[C@@H](C1CCCCC1)C1CC[NH2+]CC1 84310041 171131972 /nfs/dbraw/zinc/13/19/72/171131972.db2.gz OFFHOWWIQBWWQL-LBPRGKRZSA-N 1 0 197.322 1.927 50 0 ADAARO CC(C)O[C@@H]1C[C@H]([NH3+])C1(C)C 85522035 171132265 /nfs/dbraw/zinc/13/22/65/171132265.db2.gz RDFVLCNOBZQYRK-JGVFFNPUSA-N 1 0 157.257 1.537 50 0 in-vitro ADAARO CC(C)(O)CC[NH+]1CCCC1 86233885 171132321 /nfs/dbraw/zinc/13/23/21/171132321.db2.gz SOHAWBMOFPPYDC-UHFFFAOYSA-N 1 0 157.257 1.243 50 0 in-vitro ADAARO CC(C)O[C@@H]1C[C@@H]([NH3+])C1(C)C 85522039 171132488 /nfs/dbraw/zinc/13/24/88/171132488.db2.gz RDFVLCNOBZQYRK-HTQZYQBOSA-N 1 0 157.257 1.537 50 0 in-vitro ADAARO CC(C)O[C@H]1C[C@@H]([NH3+])C1(C)C 85522041 171132546 /nfs/dbraw/zinc/13/25/46/171132546.db2.gz RDFVLCNOBZQYRK-SFYZADRCSA-N 1 0 157.257 1.537 50 0 in-vitro ADAARO CC(C)O[C@H]1C[C@H]([NH3+])C1(C)C 85522037 171132597 /nfs/dbraw/zinc/13/25/97/171132597.db2.gz RDFVLCNOBZQYRK-YUMQZZPRSA-N 1 0 157.257 1.537 50 0 in-vitro ADAARO [NH3+]C1(c2noc(C(F)F)n2)CCC1 88611653 171132864 /nfs/dbraw/zinc/13/28/64/171132864.db2.gz AFZIMNHTNWFTRJ-UHFFFAOYSA-N 1 0 189.165 1.345 50 0 in-vitro ADAARO c1cnc2c(c1)C1(CC[NH2+]CC1)CO2 89157642 171133046 /nfs/dbraw/zinc/13/30/46/171133046.db2.gz OEXJNBBFVSIROY-UHFFFAOYSA-N 1 0 190.246 1.095 50 0 ADAARO Fc1ccc(C2=CC[NH2+]C2)cc1 88613741 171133201 /nfs/dbraw/zinc/13/32/01/171133201.db2.gz SMTXNEWLAXAGNV-UHFFFAOYSA-N 1 0 163.195 1.812 50 0 in-vitro ADAARO Cc1ccccc1C1=CC[NH2+]C1 88613849 171133227 /nfs/dbraw/zinc/13/32/27/171133227.db2.gz PNSOVQAWTULGDC-UHFFFAOYSA-N 1 0 159.232 1.982 50 0 in-vitro ADAARO [NH3+]CC1(F)CCCCC1 88189747 171133236 /nfs/dbraw/zinc/13/32/36/171133236.db2.gz AATBWVUULWNXOC-UHFFFAOYSA-N 1 0 131.194 1.618 50 0 in-vitro ADAARO CO[C@@H]1[C@H](C)[C@@H]([NH3+])C1(C)C 90225792 171133656 /nfs/dbraw/zinc/13/36/56/171133656.db2.gz KOBQGNWQYLVWBI-FSDSQADBSA-N 1 0 143.230 1.005 50 0 in-vitro ADAARO CO[C@@H]1[C@@H](C)[C@@H]([NH3+])C1(C)C 90225793 171133692 /nfs/dbraw/zinc/13/36/92/171133692.db2.gz KOBQGNWQYLVWBI-RRKCRQDMSA-N 1 0 143.230 1.005 50 0 in-vitro ADAARO CO[C@@H]1[C@@H](C)[C@H]([NH3+])C1(C)C 90225791 171133767 /nfs/dbraw/zinc/13/37/67/171133767.db2.gz KOBQGNWQYLVWBI-LYFYHCNISA-N 1 0 143.230 1.005 50 0 in-vitro ADAARO ClC1=C(Cl)C[NH2+]CC1 90225811 171133959 /nfs/dbraw/zinc/13/39/59/171133959.db2.gz MAHOVBPJXQWRSZ-UHFFFAOYSA-N 1 0 152.024 1.669 50 0 in-vitro ADAARO CO[C@@H]1[C@H](C)[C@H]([NH3+])C1(C)C 90225790 171134015 /nfs/dbraw/zinc/13/40/15/171134015.db2.gz KOBQGNWQYLVWBI-DSYKOEDSSA-N 1 0 143.230 1.005 50 0 in-vitro ADAARO CCOC(=O)Cc1cccc(C[NH3+])c1 90471108 171134155 /nfs/dbraw/zinc/13/41/55/171134155.db2.gz SPKAOLHFGAAPTR-UHFFFAOYSA-N 1 0 193.246 1.251 50 0 in-vitro ADAARO C1C[NH2+]CC[C@]2(C1)CCCO2 91241698 171134577 /nfs/dbraw/zinc/13/45/77/171134577.db2.gz LKODXJQTMSYTAY-VIFPVBQESA-N 1 0 155.241 1.309 50 0 ADAARO OC1(C2CC[NH2+]CC2)CCCC1 91356150 171134692 /nfs/dbraw/zinc/13/46/92/171134692.db2.gz XTFWEWFWDICINI-UHFFFAOYSA-N 1 0 169.268 1.291 50 0 ADAARO [NH3+]CC1CCC(F)CC1 91692037 171134748 /nfs/dbraw/zinc/13/47/48/171134748.db2.gz YAMTXZMIWLTVKR-UHFFFAOYSA-N 1 0 131.194 1.473 50 0 in-vitro ADAARO C1C[NH2+]CC[C@@]2(C1)CCCO2 91241697 171134808 /nfs/dbraw/zinc/13/48/08/171134808.db2.gz LKODXJQTMSYTAY-SECBINFHSA-N 1 0 155.241 1.309 50 0 ADAARO CO[C@@H]1[C@H](C)[C@H]([NH3+])C12CCC2 95347621 171135945 /nfs/dbraw/zinc/13/59/45/171135945.db2.gz FAQSANUTKVRYOS-GJMOJQLCSA-N 1 0 155.241 1.149 50 0 in-vitro ADAARO CO[C@@H]1[C@@H](C)[C@@H]([NH3+])C12CCC2 95347624 171136281 /nfs/dbraw/zinc/13/62/81/171136281.db2.gz FAQSANUTKVRYOS-XLPZGREQSA-N 1 0 155.241 1.149 50 0 in-vitro ADAARO CO[C@@H]1[C@@H](C)[C@H]([NH3+])C12CCC2 95347622 171136356 /nfs/dbraw/zinc/13/63/56/171136356.db2.gz FAQSANUTKVRYOS-BIIVOSGPSA-N 1 0 155.241 1.149 50 0 in-vitro ADAARO [NH3+]C[C@]1(c2ccccc2)CC1(F)F 95215238 171136409 /nfs/dbraw/zinc/13/64/09/171136409.db2.gz MNLHPUYREGZHCN-VIFPVBQESA-N 1 0 183.201 1.922 50 0 ADAARO CN1CCC([NH+]2CCCCCC2)CC1 95629623 171136642 /nfs/dbraw/zinc/13/66/42/171136642.db2.gz IHQTYZLQSLQCQJ-UHFFFAOYSA-N 1 0 196.338 1.957 50 0 ADAARO Cc1ccccc1[C@@H]1C[NH2+]CCN1 95690966 171136830 /nfs/dbraw/zinc/13/68/30/171136830.db2.gz XAKNKYFHCKANSL-NSHDSACASA-N 1 0 176.263 1.229 50 0 ADAARO C[C@H]1CC(F)(F)CC[NH2+]1 95629940 171136997 /nfs/dbraw/zinc/13/69/97/171136997.db2.gz HNDFARYMAXVXRI-YFKPBYRVSA-N 1 0 135.157 1.394 50 0 in-vitro ADAARO C[C@@H]1CC(F)(F)CC[NH2+]1 95629939 171137015 /nfs/dbraw/zinc/13/70/15/171137015.db2.gz HNDFARYMAXVXRI-RXMQYKEDSA-N 1 0 135.157 1.394 50 0 in-vitro ADAARO C1COC2(C1)C[C@@H]1CC[C@H](C2)[NH2+]1 95743477 171138485 /nfs/dbraw/zinc/13/84/85/171138485.db2.gz NXUJOZPJMSUGDY-ULKQDVFKSA-N 1 0 167.252 1.450 50 0 ADAARO [NH3+]C1CC[C@@H]2[C@@H](CC1)C2(F)F 95774633 171139557 /nfs/dbraw/zinc/13/95/57/171139557.db2.gz YLBVAYYXKMWGIU-RNFRBKRXSA-N 1 0 161.195 1.769 50 0 ADAARO c1c(C2CCC2)nn2c1C[NH2+]CC2 95883523 171140080 /nfs/dbraw/zinc/14/00/80/171140080.db2.gz GWBVFZYYMOARGT-UHFFFAOYSA-N 1 0 177.251 1.254 50 0 ADAARO [NH3+]C12CCC(C(F)F)(CC1)C2 95929970 171140596 /nfs/dbraw/zinc/14/05/96/171140596.db2.gz IDBCDMVFDINIGC-UHFFFAOYSA-N 1 0 161.195 1.913 50 0 ADAARO COC(=O)[C@@H]1CC[NH2+][C@H]2CCCC[C@H]21 147212860 171141212 /nfs/dbraw/zinc/14/12/12/171141212.db2.gz MUBUWGGNNPTNRI-AEJSXWLSSA-N 1 0 197.278 1.328 50 0 ADAARO Fc1cc(C2C[NH2+]C2)cc(F)c1F 96028877 171141455 /nfs/dbraw/zinc/14/14/55/171141455.db2.gz AQBQGHYQENSONZ-UHFFFAOYSA-N 1 0 187.164 1.791 50 0 ADAARO O=[N+]1C=CC=C/C1=C1/C=CC=CN1O 98177470 171142407 /nfs/dbraw/zinc/14/24/07/171142407.db2.gz QPAJQPJRWBQFTP-MDZDMXLPSA-N 1 0 189.194 1.835 50 0 ADAARO C[C@@H]1CC2(CCC2)C[NH2+]1 98095595 171142512 /nfs/dbraw/zinc/14/25/12/171142512.db2.gz LXZYDFHXZDFHAN-SSDOTTSWSA-N 1 0 125.215 1.539 50 0 in-vitro ADAARO C[C@H]1CC2(CCC2)C[NH2+]1 98095596 171142668 /nfs/dbraw/zinc/14/26/68/171142668.db2.gz LXZYDFHXZDFHAN-ZETCQYMHSA-N 1 0 125.215 1.539 50 0 in-vitro ADAARO c1ccc(C[N@@H+]2CCCOCC2)cc1 98178239 171142730 /nfs/dbraw/zinc/14/27/30/171142730.db2.gz UUHYDGKQWSEQEZ-UHFFFAOYSA-N 1 0 191.274 1.909 50 0 ADAARO [NH3+]Cc1ccc2c(c1)CCC2=O 98095935 171142740 /nfs/dbraw/zinc/14/27/40/171142740.db2.gz NKZLQYZEZKVCSF-UHFFFAOYSA-N 1 0 161.204 1.274 50 0 in-vitro ADAARO [NH3+]Cc1ccc2c(c1)CCCC2=O 98095973 171142830 /nfs/dbraw/zinc/14/28/30/171142830.db2.gz GQIOWVRKRFEYDW-UHFFFAOYSA-N 1 0 175.231 1.664 50 0 ADAARO CN1CCCC(C)(C)[C@H]1C[NH3+] 98209705 171143071 /nfs/dbraw/zinc/14/30/71/171143071.db2.gz CMLZJSPUAZRKMK-MRVPVSSYSA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO [NH3+]CC(Cl)=C(Cl)Cl 98210116 171143091 /nfs/dbraw/zinc/14/30/91/171143091.db2.gz HFYXFTFJWIJPNH-UHFFFAOYSA-N 1 0 160.431 1.831 50 0 in-vitro ADAARO CC1(C)[C@H]2CC[C@@H]1[C@@H]([NH3+])C2 98205980 171143165 /nfs/dbraw/zinc/14/31/65/171143165.db2.gz XAMZWSAHMNHLQZ-RNJXMRFFSA-N 1 0 139.242 1.770 50 0 in-vitro ADAARO CN1CCCC(C)(C)[C@@H]1C[NH3+] 98209706 171143199 /nfs/dbraw/zinc/14/31/99/171143199.db2.gz CMLZJSPUAZRKMK-QMMMGPOBSA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO [NH3+]C12CCC(F)(CC1)C2 104555579 171147920 /nfs/dbraw/zinc/14/79/20/171147920.db2.gz ROJVZBLZXXZQHY-UHFFFAOYSA-N 1 0 129.178 1.370 50 0 ADAARO [NH3+]CC=C(Cl)Cl 104570423 171148038 /nfs/dbraw/zinc/14/80/38/171148038.db2.gz BHIBCNAIPLXFBF-UHFFFAOYSA-N 1 0 125.986 1.264 50 0 ADAARO CC(=O)CCCCCC[NH3+] 104634495 171148172 /nfs/dbraw/zinc/14/81/72/171148172.db2.gz FMOXPMSKGOLSIF-UHFFFAOYSA-N 1 0 143.230 1.485 50 0 ADAARO F[C@@]1(c2ccccc2)CC[NH2+]C1 107120540 171149779 /nfs/dbraw/zinc/14/97/79/171149779.db2.gz MQXFKVRPVZNLCL-JTQLQIEISA-N 1 0 165.211 1.845 50 0 in-vitro ADAARO COc1ccccc1[C@@H](C[NH3+])OC 43098983 171150143 /nfs/dbraw/zinc/15/01/43/171150143.db2.gz RVZYDOBAABDASN-SNVBAGLBSA-N 1 0 181.235 1.341 50 0 ADAARO C[C@H]1CC(CC[NH3+])C[C@H](C)O1 107399908 171150504 /nfs/dbraw/zinc/15/05/04/171150504.db2.gz PZKMLLCMEBJHKX-YUMQZZPRSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO C[C@H]1CC(C[NH3+])C[C@H](C)O1 107397029 171150619 /nfs/dbraw/zinc/15/06/19/171150619.db2.gz PXKYQRMDUIMEAZ-BQBZGAKWSA-N 1 0 143.230 1.149 50 0 in-vitro ADAARO C[C@@H]1CC(CC[NH3+])C[C@@H](C)O1 107399910 171150807 /nfs/dbraw/zinc/15/08/07/171150807.db2.gz PZKMLLCMEBJHKX-HTQZYQBOSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO C[C@@H]1CC(C[NH3+])C[C@@H](C)O1 107397032 171150872 /nfs/dbraw/zinc/15/08/72/171150872.db2.gz PXKYQRMDUIMEAZ-RNFRBKRXSA-N 1 0 143.230 1.149 50 0 in-vitro ADAARO F[C@@H]1C[NH2+]CCCC1(F)F 110916042 171153688 /nfs/dbraw/zinc/15/36/88/171153688.db2.gz IPYUDJFAFOFBEH-RXMQYKEDSA-N 1 0 153.147 1.343 50 0 ADAARO F[C@@H]1CC[NH2+]CCC1(F)F 110915949 171153785 /nfs/dbraw/zinc/15/37/85/171153785.db2.gz GCOKDTWCUXXFFE-RXMQYKEDSA-N 1 0 153.147 1.343 50 0 ADAARO COC(=O)[C@@H]1CCC[N@@H+]1CC1CC1 50050763 171155063 /nfs/dbraw/zinc/15/50/63/171155063.db2.gz FCMAUENYMFNXBR-VIFPVBQESA-N 1 0 183.251 1.034 50 0 ADAARO COC(=O)[C@H]1CCC[N@@H+]1CC1CC1 50050766 171155294 /nfs/dbraw/zinc/15/52/94/171155294.db2.gz FCMAUENYMFNXBR-SECBINFHSA-N 1 0 183.251 1.034 50 0 ADAARO [NH3+]C[C@@H]1OCCc2sc(F)cc21 117868733 171155455 /nfs/dbraw/zinc/15/54/55/171155455.db2.gz SAADYZLXEVGUKG-LURJTMIESA-N 1 0 187.239 1.460 50 0 in-vitro ADAARO OCC1(C[NH2+]Cc2ccccc2)CC1 118906689 171155486 /nfs/dbraw/zinc/15/54/86/171155486.db2.gz WEEUEQDFUUGTBY-UHFFFAOYSA-N 1 0 191.274 1.549 50 0 in-vitro ADAARO [NH3+]C[C@H]1OCCc2sc(F)cc21 117868735 171155547 /nfs/dbraw/zinc/15/55/47/171155547.db2.gz SAADYZLXEVGUKG-ZCFIWIBFSA-N 1 0 187.239 1.460 50 0 in-vitro ADAARO OC[C@@H]1C[C@H](F)C[N@@H+]1C1CCCC1 306505904 171158077 /nfs/dbraw/zinc/15/80/77/171158077.db2.gz UQPKTMOXFPUTTE-WPRPVWTQSA-N 1 0 187.258 1.334 50 0 ADAARO O=[N+]1C=CC=CC1=C1C=CC=CN1O 5187515 171159600 /nfs/dbraw/zinc/15/96/00/171159600.db2.gz QPAJQPJRWBQFTP-UHFFFAOYSA-N 1 0 189.194 1.835 50 0 ADAARO CN1CCC([NH+]2CCCCC2)CC1 4996402 171159681 /nfs/dbraw/zinc/15/96/81/171159681.db2.gz GPASDLXNNAPVRX-UHFFFAOYSA-N 1 0 182.311 1.567 50 0 ADAARO [NH3+]CC(F)(F)C1CCC1 147033373 171160689 /nfs/dbraw/zinc/16/06/89/171160689.db2.gz KFNFOWWIGNEIOJ-UHFFFAOYSA-N 1 0 135.157 1.381 50 0 ADAARO COC(=O)[C@@H]1CC[NH2+][C@@H]2CCCC[C@H]21 147212482 171160701 /nfs/dbraw/zinc/16/07/01/171160701.db2.gz MUBUWGGNNPTNRI-IVZWLZJFSA-N 1 0 197.278 1.328 50 0 ADAARO c1ccc(C[NH+]2CCCC2)nc1 4478322 171161497 /nfs/dbraw/zinc/16/14/97/171161497.db2.gz XLXANWGTOZKKAZ-UHFFFAOYSA-N 1 0 162.236 1.677 50 0 ADAARO CC(C)C(=O)CC[NH+](C)C 1621279 171161949 /nfs/dbraw/zinc/16/19/49/171161949.db2.gz ORZXLVOLYLGCSV-UHFFFAOYSA-N 1 0 143.230 1.163 50 0 ADAARO CC(=O)OCCC[NH+]1CCCCC1 2963901 171163612 /nfs/dbraw/zinc/16/36/12/171163612.db2.gz BGFZSLVFAWVFIS-UHFFFAOYSA-N 1 0 185.267 1.426 50 0 ADAARO [NH3+]CC1(C2CCC2)CCC1 161528441 171163685 /nfs/dbraw/zinc/16/36/85/171163685.db2.gz WYOMATCCQTWNJO-UHFFFAOYSA-N 1 0 139.242 1.916 50 0 ADAARO CCOC(=O)C[C@@H](N)c1ccco1 2521307 171163968 /nfs/dbraw/zinc/16/39/68/171163968.db2.gz ZQCIVDVXCPAUEF-SSDOTTSWSA-N 1 0 183.207 1.233 50 0 ADAARO C[Si](C)(C)[NH+]1CCCC1 170155015 171166018 /nfs/dbraw/zinc/16/60/18/171166018.db2.gz NQLVIKZJXFGUET-UHFFFAOYSA-N 1 0 143.306 1.917 50 0 ADAARO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 170620286 171166049 /nfs/dbraw/zinc/16/60/49/171166049.db2.gz AFGNXUOPHQALPJ-ZJUUUORDSA-N 1 0 189.262 1.328 50 0 in-vitro ADAARO C[Si](C)(C)CC[NH3+] 169919280 171166071 /nfs/dbraw/zinc/16/60/71/171166071.db2.gz NIBXVTMWHMMKGV-UHFFFAOYSA-N 1 0 117.268 1.283 50 0 in-vitro ADAARO Cn1nccc1C1C[C@@H]2CC[C@H](C1)[NH2+]2 170620290 171166090 /nfs/dbraw/zinc/16/60/90/171166090.db2.gz AQIVISWYEYMMHQ-PBINXNQUSA-N 1 0 191.278 1.418 50 0 in-vitro ADAARO C[NH+]1CCC2(CC1)CC(CO)C2 169804462 171166136 /nfs/dbraw/zinc/16/61/36/171166136.db2.gz DAXQMNPYPUQYDZ-UHFFFAOYSA-N 1 0 169.268 1.101 50 0 in-vitro ADAARO COc1ccc(NCC[NH3+])cc1OC 20232210 171169574 /nfs/dbraw/zinc/16/95/74/171169574.db2.gz DMCBXPPKKXAUIU-UHFFFAOYSA-N 1 0 196.250 1.074 50 0 ADAARO C[Si](C)(C)CCC[NH3+] 195767100 171170275 /nfs/dbraw/zinc/17/02/75/171170275.db2.gz PFRLCKFENIXNMM-UHFFFAOYSA-N 1 0 131.295 1.673 50 0 in-vitro ADAARO [NH3+]CC1(CC2CC2)CCOCC1 82401254 171171043 /nfs/dbraw/zinc/17/10/43/171171043.db2.gz KVCPWVSEAIMBBN-UHFFFAOYSA-N 1 0 169.268 1.542 50 0 ADAARO C[Si](C)(C)c1ccc(C[NH3+])cc1 196295844 171171089 /nfs/dbraw/zinc/17/10/89/171171089.db2.gz YMYXDIFUYBPESC-UHFFFAOYSA-N 1 0 179.339 1.691 50 0 in-vitro ADAARO FC(F)(F)c1onc2c1C[NH2+]CC2 20445735 171171540 /nfs/dbraw/zinc/17/15/40/171171540.db2.gz UJSQYOODNIYCKA-UHFFFAOYSA-N 1 0 192.140 1.339 50 0 ADAARO c1cc(C2CC[NH2+]CC2)on1 82407699 171171707 /nfs/dbraw/zinc/17/17/07/171171707.db2.gz BXINUGSDYAQNOA-UHFFFAOYSA-N 1 0 152.197 1.142 50 0 ADAARO [NH3+]CC1(C2CCC2)CC1 82411441 171172016 /nfs/dbraw/zinc/17/20/16/171172016.db2.gz MCQLYWVOCUQUJU-UHFFFAOYSA-N 1 0 125.215 1.525 50 0 ADAARO [NH3+]CC1(CC2CC2)CC1 82411437 171172230 /nfs/dbraw/zinc/17/22/30/171172230.db2.gz YWZSYOWFJKVQDG-UHFFFAOYSA-N 1 0 125.215 1.525 50 0 ADAARO CC(C)c1ccnc(C[NH3+])c1 82408341 171172238 /nfs/dbraw/zinc/17/22/38/171172238.db2.gz NVPVFJFYNGSUKP-UHFFFAOYSA-N 1 0 150.225 1.664 50 0 ADAARO [NH3+]CC12CCC(CO)(CC1)CC2 200369408 171173076 /nfs/dbraw/zinc/17/30/76/171173076.db2.gz CTYZLJOKCWVRGE-UHFFFAOYSA-N 1 0 169.268 1.278 50 0 ADAARO Fc1ccc(C2CC[NH2+]CC2)cn1 38539352 171174692 /nfs/dbraw/zinc/17/46/92/171174692.db2.gz HHFXISZXSFDVQY-UHFFFAOYSA-N 1 0 180.226 1.688 50 0 ADAARO c1ccc([C@@H]2CC[NH2+]CCO2)cc1 82869741 171176124 /nfs/dbraw/zinc/17/61/24/171176124.db2.gz YHTYFRNGCOTKOF-NSHDSACASA-N 1 0 177.247 1.738 50 0 ADAARO Oc1cccc(C[C@H]2CC[NH2+]C2)c1 82869850 171176232 /nfs/dbraw/zinc/17/62/32/171176232.db2.gz JRAUUGCXGBNZEO-SNVBAGLBSA-N 1 0 177.247 1.544 50 0 ADAARO [NH3+]Cc1ccc2c(c1)CCOC2 82850727 171176320 /nfs/dbraw/zinc/17/63/20/171176320.db2.gz VGNFRQAGLYVIEA-UHFFFAOYSA-N 1 0 163.220 1.218 50 0 ADAARO [NH3+]Cc1ccc2c(c1)COCC2 82850728 171176352 /nfs/dbraw/zinc/17/63/52/171176352.db2.gz WXHISRJWGDOZLP-UHFFFAOYSA-N 1 0 163.220 1.218 50 0 ADAARO Oc1ccc(C[C@H]2CC[NH2+]C2)cc1 82869852 171176360 /nfs/dbraw/zinc/17/63/60/171176360.db2.gz HJVAWNMBDYMFRD-SNVBAGLBSA-N 1 0 177.247 1.544 50 0 ADAARO [NH3+]CC1(C(F)(F)F)CCOCC1 82875477 171176370 /nfs/dbraw/zinc/17/63/70/171176370.db2.gz DNODNUIZGZZGLQ-UHFFFAOYSA-N 1 0 183.173 1.304 50 0 ADAARO Oc1ccc(C[C@@H]2CC[NH2+]C2)cc1 82869851 171176388 /nfs/dbraw/zinc/17/63/88/171176388.db2.gz HJVAWNMBDYMFRD-JTQLQIEISA-N 1 0 177.247 1.544 50 0 ADAARO Oc1cccc(C[C@@H]2CC[NH2+]C2)c1 82869849 171176586 /nfs/dbraw/zinc/17/65/86/171176586.db2.gz JRAUUGCXGBNZEO-JTQLQIEISA-N 1 0 177.247 1.544 50 0 ADAARO Oc1ccc(C2CC[NH2+]CC2)cc1F 82896040 171177167 /nfs/dbraw/zinc/17/71/67/171177167.db2.gz IERGXBBYHGFWCI-UHFFFAOYSA-N 1 0 195.237 1.998 50 0 ADAARO C1C[NH2+]C2(C1)CCSCC2 83269103 171180310 /nfs/dbraw/zinc/18/03/10/171180310.db2.gz NXTQEHANZHNVJM-UHFFFAOYSA-N 1 0 157.282 1.636 50 0 ADAARO C[C@@H]1CC2(CC[NH2+]CC2)CO1 215644475 171180988 /nfs/dbraw/zinc/18/09/88/171180988.db2.gz CZWSYPBFOXGGAI-MRVPVSSYSA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO CC1(C)[C@H]([NH3+])[C@@H]2CCCO[C@H]21 216329377 171181127 /nfs/dbraw/zinc/18/11/27/171181127.db2.gz HAFAIAKOQFPEKK-XLPZGREQSA-N 1 0 155.241 1.149 50 0 in-vitro ADAARO CC1(C)[C@H]([NH3+])[C@H]2CCCO[C@H]21 216329462 171181164 /nfs/dbraw/zinc/18/11/64/171181164.db2.gz HAFAIAKOQFPEKK-BWZBUEFSSA-N 1 0 155.241 1.149 50 0 in-vitro ADAARO C[C@H]1CC2(CC[NH2+]CC2)CO1 215644527 171181187 /nfs/dbraw/zinc/18/11/87/171181187.db2.gz CZWSYPBFOXGGAI-QMMMGPOBSA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO [NH3+]CC1(C(F)F)CCC1 216657289 171181353 /nfs/dbraw/zinc/18/13/53/171181353.db2.gz YFYYCMJVMARVOM-UHFFFAOYSA-N 1 0 135.157 1.381 50 0 ADAARO BrC1=CCC[NH2+]C1 216716090 171181472 /nfs/dbraw/zinc/18/14/72/171181472.db2.gz JPADVFNGNAIZMA-UHFFFAOYSA-N 1 0 162.030 1.259 50 0 in-vitro ADAARO CCCCOC(=O)CCC[NH3+] 27733371 171183568 /nfs/dbraw/zinc/18/35/68/171183568.db2.gz YTMCEWHSHANFEP-UHFFFAOYSA-N 1 0 159.229 1.069 50 0 ADAARO Cc1ccccc1OCC[NH+](C)C 33397425 171184285 /nfs/dbraw/zinc/18/42/85/171184285.db2.gz MAAOCTAUJRPCTL-UHFFFAOYSA-N 1 0 179.263 1.935 50 0 ADAARO [NH3+]CC1(c2cccnc2)CC1 33487073 171184690 /nfs/dbraw/zinc/18/46/90/171184690.db2.gz ZIBFGGQBAFAKDT-UHFFFAOYSA-N 1 0 148.209 1.072 50 0 ADAARO C[C@H]1CC[C@@H](C)[N@@H+]1[C@H]1CCCNC1 238855158 171186349 /nfs/dbraw/zinc/18/63/49/171186349.db2.gz QQRILNLFDBBTQQ-AXFHLTTASA-N 1 0 182.311 1.611 50 0 ADAARO C[C@H]1CC[C@@H](C)[C@@H]1[NH3+] 238856369 171186436 /nfs/dbraw/zinc/18/64/36/171186436.db2.gz VUYIFCKJOLEHPV-ZMONIFLSSA-N 1 0 113.204 1.380 50 0 in-vitro ADAARO CCCc1ncc(C[NH3+])o1 238230578 171186800 /nfs/dbraw/zinc/18/68/00/171186800.db2.gz OJCBLYPGPOKSJE-UHFFFAOYSA-N 1 0 140.186 1.086 50 0 ADAARO CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 239287496 171187235 /nfs/dbraw/zinc/18/72/35/171187235.db2.gz CWVPIGAZJLHCQZ-ZJUUUORDSA-N 1 0 168.284 1.223 50 0 in-vitro ADAARO CN1CCCC[C@H]1[C@H]1CCCC[NH2+]1 245225788 171187540 /nfs/dbraw/zinc/18/75/40/171187540.db2.gz PAASZFYAZDIBJQ-MNOVXSKESA-N 1 0 182.311 1.613 50 0 ADAARO CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 239287495 171187570 /nfs/dbraw/zinc/18/75/70/171187570.db2.gz CWVPIGAZJLHCQZ-NXEZZACHSA-N 1 0 168.284 1.223 50 0 in-vitro ADAARO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[NH2+]1 299805466 171188027 /nfs/dbraw/zinc/18/80/27/171188027.db2.gz PJTBLEVEWWCANQ-DTWKUNHWSA-N 1 0 199.294 1.716 50 0 ADAARO NC[C@@]1(CC(F)(F)F)CCC[NH2+]1 261507784 171188123 /nfs/dbraw/zinc/18/81/23/171188123.db2.gz MFXQUQICZMHWRJ-LURJTMIESA-N 1 0 182.189 1.020 50 0 ADAARO [NH3+]C1(Cc2cccnc2)CCOCC1 84352840 171188881 /nfs/dbraw/zinc/18/88/81/171188881.db2.gz MBTKQNRMWVZORE-UHFFFAOYSA-N 1 0 192.262 1.132 50 0 ADAARO [NH3+]C1(Cc2ccccn2)CCC1 84329852 171188891 /nfs/dbraw/zinc/18/88/91/171188891.db2.gz FJQXGUNDERKZCC-UHFFFAOYSA-N 1 0 162.236 1.506 50 0 ADAARO c1c[nH]c(C[NH2+]C2CCSCC2)n1 70621530 171194811 /nfs/dbraw/zinc/19/48/11/171194811.db2.gz CBCFORGPDAUIBP-UHFFFAOYSA-N 1 0 197.307 1.395 50 0 ADAARO [NH3+]CC(=O)C1CCC(F)(F)CC1 127164907 171195231 /nfs/dbraw/zinc/19/52/31/171195231.db2.gz YDEZRKDMHXIHOG-UHFFFAOYSA-N 1 0 177.194 1.340 50 0 ADAARO CC[n+]1ccc(C)c(C)c1 1248116 171196784 /nfs/dbraw/zinc/19/67/84/171196784.db2.gz YEQJYTQPDOEJJM-UHFFFAOYSA-N 1 0 136.218 1.611 50 0 ADAARO [NH3+]C1(Cc2ccccc2)CC[NH2+]CC1 90587485 171197101 /nfs/dbraw/zinc/19/71/01/171197101.db2.gz ASIJJQPHUXEBMG-UHFFFAOYSA-N 1 0 190.290 1.310 50 0 ADAARO [NH3+]Cc1ccc2c(c1)CCC(=O)N2 62201041 171197834 /nfs/dbraw/zinc/19/78/34/171197834.db2.gz KBEANBKVUMVUFJ-UHFFFAOYSA-N 1 0 176.219 1.030 50 0 ADAARO [NH3+]C1(c2ccccc2)CC[NH2+]CC1 95698786 171198295 /nfs/dbraw/zinc/19/82/95/171198295.db2.gz JCGSBRGSKUXXAG-UHFFFAOYSA-N 1 0 176.263 1.224 50 0 ADAARO Cc1ccccc1CNC1=[NH+]CCN1 96027716 171198855 /nfs/dbraw/zinc/19/88/55/171198855.db2.gz IFRIBOQFELMEFF-UHFFFAOYSA-N 1 0 189.262 1.044 50 0 ADAARO [NH3+]CC1(CC2CCC2)CC1 96029450 171199323 /nfs/dbraw/zinc/19/93/23/171199323.db2.gz XQUGPLIPIQUHLR-UHFFFAOYSA-N 1 0 139.242 1.916 50 0 ADAARO C=Cn1cc[n+](CCCC)c1 98089630 171199400 /nfs/dbraw/zinc/19/94/00/171199400.db2.gz PQOPTKHODJNNPC-UHFFFAOYSA-N 1 0 151.233 1.676 50 0 ADAARO CC(C)=C(F)C[NH3+] 98174951 171199746 /nfs/dbraw/zinc/19/97/46/171199746.db2.gz GOKXJURPRGXOKD-UHFFFAOYSA-N 1 0 103.140 1.209 50 0 ADAARO [NH3+]CC1(CC2CCC2)CCOCC1 98214171 171199762 /nfs/dbraw/zinc/19/97/62/171199762.db2.gz BMFJSLWKIYECAB-UHFFFAOYSA-N 1 0 183.295 1.932 50 0 ADAARO [NH3+]CC1(Cc2ccccn2)CCC1 98214067 171199904 /nfs/dbraw/zinc/19/99/04/171199904.db2.gz KWENGTUZJXAARV-UHFFFAOYSA-N 1 0 176.263 1.753 50 0 ADAARO [NH3+]CC1(c2ncccc2F)CC1 98214136 171199942 /nfs/dbraw/zinc/19/99/42/171199942.db2.gz UNSXQOKMIVAGDF-UHFFFAOYSA-N 1 0 166.199 1.211 50 0 ADAARO Oc1cccc(C[NH+]2CC(CF)C2)c1 335248828 171201714 /nfs/dbraw/zinc/20/17/14/171201714.db2.gz PPRQEVMFQMAPBG-UHFFFAOYSA-N 1 0 195.237 1.794 50 0 ADAARO [NH3+]C1(c2ccccc2F)CCOCC1 11886225 171205773 /nfs/dbraw/zinc/20/57/73/171205773.db2.gz QIRBMDMOSVNJCC-UHFFFAOYSA-N 1 0 195.237 1.790 50 0 ADAARO CC[n+]1ccc2c(O)cccc2c1 410125 171206573 /nfs/dbraw/zinc/20/65/73/171206573.db2.gz KBDXAKIUXPGECS-UHFFFAOYSA-O 1 0 174.223 1.853 50 0 ADAARO COc1ccccc1CC1([NH3+])CC1 16719175 171206833 /nfs/dbraw/zinc/20/68/33/171206833.db2.gz LPKAYTQSLXFALQ-UHFFFAOYSA-N 1 0 177.247 1.729 50 0 ADAARO CC[n+]1ccc(C)cc1C 2156559 171208224 /nfs/dbraw/zinc/20/82/24/171208224.db2.gz WMRQRLFDOZXSLX-UHFFFAOYSA-N 1 0 136.218 1.611 50 0 ADAARO [NH3+]C1CCCCCC1 3797742 171208551 /nfs/dbraw/zinc/20/85/51/171208551.db2.gz VXVVUHQULXCUPF-UHFFFAOYSA-N 1 0 113.204 1.668 50 0 in-vitro ADAARO C1C[NH2+]CC2(C1)SCCS2 39325895 171078615 /nfs/dbraw/zinc/07/86/15/171078615.db2.gz SCWWPXJLCBZOAS-UHFFFAOYSA-N 1 0 175.322 1.546 50 0 in-vitro ADAARO [NH3+]Cc1ccc2c(c1)OC(F)(F)O2 39320662 171078627 /nfs/dbraw/zinc/07/86/27/171078627.db2.gz GPHZBJCHTHXDDI-UHFFFAOYSA-N 1 0 187.145 1.467 50 0 in-vitro ADAARO C1C[NH2+]CCC2(C1)SCCS2 39325831 171078796 /nfs/dbraw/zinc/07/87/96/171078796.db2.gz WAKDEPGUYWNFTR-UHFFFAOYSA-N 1 0 189.349 1.936 50 0 in-vitro ADAARO C[NH+]1CCCCC1 1640941 171215158 /nfs/dbraw/zinc/21/51/58/171215158.db2.gz PAMIQIKDUOTOBW-UHFFFAOYSA-N 1 0 99.177 1.102 50 0 in-vitro ADAARO CC(C)(C)SC(N)=[NH2+] 4280644 171215207 /nfs/dbraw/zinc/21/52/07/171215207.db2.gz HQYFXUNMHLTGCN-UHFFFAOYSA-N 1 0 132.232 1.412 50 0 ADAARO CCCCOC(=O)C(C)(C)[NH3+] 40911595 171217338 /nfs/dbraw/zinc/21/73/38/171217338.db2.gz HUOOUEMRFYTJJU-UHFFFAOYSA-N 1 0 159.229 1.067 50 0 ADAARO Fc1cc(F)c2c(c1)CC[NH2+]C2 44137613 171217895 /nfs/dbraw/zinc/21/78/95/171217895.db2.gz XJNWOYKUWYLBSL-UHFFFAOYSA-N 1 0 169.174 1.611 50 0 in-vitro ADAARO CC(C)OC(=O)C[C@H]([NH3+])C(C)C 129313663 171218336 /nfs/dbraw/zinc/21/83/36/171218336.db2.gz OOPOLNQHNIOTNP-QMMMGPOBSA-N 1 0 173.256 1.311 50 0 ADAARO CC(C)OC(=O)C[C@@H]([NH3+])C(C)C 129313457 171218363 /nfs/dbraw/zinc/21/83/63/171218363.db2.gz OOPOLNQHNIOTNP-MRVPVSSYSA-N 1 0 173.256 1.311 50 0 ADAARO FC(F)=C1CC[NH2+]CC1 79518192 171220217 /nfs/dbraw/zinc/22/02/17/171220217.db2.gz WVIJOUFQYFUXAY-UHFFFAOYSA-N 1 0 133.141 1.520 50 0 ADAARO NC[C@]1(CC(F)(F)F)CCC[NH2+]1 261507785 171220517 /nfs/dbraw/zinc/22/05/17/171220517.db2.gz MFXQUQICZMHWRJ-ZCFIWIBFSA-N 1 0 182.189 1.020 50 0 ADAARO [NH2+]=C1NC[C@H](c2ccc(Cl)cc2)N1 3652819 171221299 /nfs/dbraw/zinc/22/12/99/171221299.db2.gz DZCDRGUVXJAIQM-MRVPVSSYSA-N 1 0 195.653 1.299 50 0 ADAARO [NH2+]=C1NC[C@@H](c2ccc(Cl)cc2)N1 3652820 171221362 /nfs/dbraw/zinc/22/13/62/171221362.db2.gz DZCDRGUVXJAIQM-QMMMGPOBSA-N 1 0 195.653 1.299 50 0 ADAARO C=C[n+]1ccccc1 5283243 171222051 /nfs/dbraw/zinc/22/20/51/171222051.db2.gz WDRZVZVXHZNSFG-UHFFFAOYSA-N 1 0 106.148 1.075 50 0 ADAARO Oc1cccc([C@H]2CCC[NH2+]C2)c1 13651746 171222215 /nfs/dbraw/zinc/22/22/15/171222215.db2.gz HYUOAVGLJXTEGX-JTQLQIEISA-N 1 0 177.247 1.859 50 0 ADAARO [NH3+]CC1(CC2CC2)CCC1 82837716 171222564 /nfs/dbraw/zinc/22/25/64/171222564.db2.gz XBURDAJKUPOFLT-UHFFFAOYSA-N 1 0 139.242 1.916 50 0 ADAARO [NH3+]CC1CC2(CCOCC2)C1 83172109 171222578 /nfs/dbraw/zinc/22/25/78/171222578.db2.gz RTSFVTSFONHDFG-UHFFFAOYSA-N 1 0 155.241 1.152 50 0 ADAARO C[n+]1cc2ccccc2cn1 15781087 171223104 /nfs/dbraw/zinc/22/31/04/171223104.db2.gz NHOFIFLKIXMRJA-UHFFFAOYSA-N 1 0 145.185 1.059 50 0 ADAARO CC(C)CC(=O)N1CCC[N@H+](C)CC1 20495785 171213611 /nfs/dbraw/zinc/21/36/11/171213611.db2.gz BSULAVARKJADIQ-UHFFFAOYSA-N 1 0 198.310 1.197 50 0 ADAARO [NH3+]CC=C1CCSCC1 157076382 344100043 /nfs/dbraw/zinc/10/00/43/344100043.db2.gz VYGJKVZBHMGYRK-UHFFFAOYSA-N 1 0 143.255 1.399 50 0 ADAARO C[C@]([NH3+])(CO)Cc1ccccc1F 162640997 344211688 /nfs/dbraw/zinc/21/16/88/344211688.db2.gz LHOKEBAENRKRNR-SNVBAGLBSA-N 1 0 183.226 1.078 50 0 in-vitro ADAARO Cc1ccc(NC2CC([NH3+])C2)cn1 164640599 344248697 /nfs/dbraw/zinc/24/86/97/344248697.db2.gz SRJKQHBCJPLECG-UHFFFAOYSA-N 1 0 177.251 1.292 50 0 ADAARO C[C@H]1CC[C@@]([NH3+])(CO)c2ccccc21 167497836 344306716 /nfs/dbraw/zinc/30/67/16/344306716.db2.gz JURCSVPNGRJHOL-JOYOIKCWSA-N 1 0 191.274 1.730 50 0 ADAARO CN(C)[C@@H]1C[NH2+]C[C@H]1c1ccccc1 205361450 344371103 /nfs/dbraw/zinc/37/11/03/344371103.db2.gz OVVDJVOZQBFYPR-NWDGAFQWSA-N 1 0 190.290 1.304 50 0 ADAARO CN(C)[C@H]1C[NH2+]C[C@H]1c1ccccc1 205361466 344371109 /nfs/dbraw/zinc/37/11/09/344371109.db2.gz OVVDJVOZQBFYPR-RYUDHWBXSA-N 1 0 190.290 1.304 50 0 ADAARO C[NH+](C)[C@@H]1CCC=CCC[C@@H]1O 214698792 344382767 /nfs/dbraw/zinc/38/27/67/344382767.db2.gz PCYULBQAZMOGHN-ZJUUUORDSA-N 1 0 169.268 1.408 50 0 ADAARO CN(C)c1[nH+]ccc2c1CCCN2 215665896 344391000 /nfs/dbraw/zinc/39/10/00/344391000.db2.gz JYQRFNVJLWDQRA-UHFFFAOYSA-N 1 0 177.251 1.506 50 0 ADAARO CC(C)[C@@H]1[NH2+]C[C@H]1C(C)C 219188519 344421023 /nfs/dbraw/zinc/42/10/23/344421023.db2.gz WWLNAMPNLITESQ-IUCAKERBSA-N 1 0 141.258 1.886 50 0 ADAARO C[NH2+][C@@H](C)CC(F)F 221338181 344442410 /nfs/dbraw/zinc/44/24/10/344442410.db2.gz IPTIEROLBCRMLJ-BYPYZUCNSA-N 1 0 123.146 1.250 50 0 ADAARO CC[NH2+][C@H]1CCC=CCC[C@@H]1O 224490728 344469695 /nfs/dbraw/zinc/46/96/95/344469695.db2.gz YFKFCUULKQRIKK-UWVGGRQHSA-N 1 0 169.268 1.456 50 0 ADAARO COc1ccc2c(CC[NH3+])c[nH]c2c1 77360 190610311 /nfs/dbraw/zinc/61/03/11/190610311.db2.gz VOCGEKMEZOPDFP-UHFFFAOYSA-N 1 0 190.246 1.678 50 0 biogenic,in-vitro ADAARO C[C@@H]([NH3+])COc1c(F)cccc1F 75881374 190611033 /nfs/dbraw/zinc/61/10/33/190611033.db2.gz CDTUZXVPFSJLHB-ZCFIWIBFSA-N 1 0 187.189 1.691 50 0 ADAARO C[C@H]([NH3+])COc1c(F)cccc1F 75881373 190611107 /nfs/dbraw/zinc/61/11/07/190611107.db2.gz CDTUZXVPFSJLHB-LURJTMIESA-N 1 0 187.189 1.691 50 0 ADAARO CC(C)[C@@H]1C[N@@H+]2CCC[C@H]2CN1 238184934 344795360 /nfs/dbraw/zinc/79/53/60/344795360.db2.gz YPMDREPFLIKFTB-UWVGGRQHSA-N 1 0 168.284 1.079 50 0 ADAARO [NH3+]CC[C@@H]1CCCC2(C1)OCCO2 238598757 344814954 /nfs/dbraw/zinc/81/49/54/344814954.db2.gz DWFUCWUXHPSFGG-VIFPVBQESA-N 1 0 185.267 1.269 50 0 ADAARO [NH3+][C@H]1c2ccccc2CC[C@H]1F 238673912 344818062 /nfs/dbraw/zinc/81/80/62/344818062.db2.gz BNAFJGMKSYBXFL-ZJUUUORDSA-N 1 0 165.211 1.971 50 0 ADAARO [NH3+]Cc1cc(OC(F)F)ccc1F 238675846 344818070 /nfs/dbraw/zinc/81/80/70/344818070.db2.gz YERMTYDCXXCMKH-UHFFFAOYSA-N 1 0 191.152 1.886 50 0 ADAARO [NH3+][C@H]1CCC2(CC2)C1 238676446 344818100 /nfs/dbraw/zinc/81/81/00/344818100.db2.gz QPWYPDAPDIKXFK-LURJTMIESA-N 1 0 111.188 1.278 50 0 ADAARO CC1(C)C[NH2+][C@@H]1[C@@H]1CCCO1 238853277 344823658 /nfs/dbraw/zinc/82/36/58/344823658.db2.gz IWMVINFJTHUWCN-JGVFFNPUSA-N 1 0 155.241 1.163 50 0 in-vitro ADAARO CC1(C)C[NH2+][C@@H]1[C@H]1CCCO1 238853276 344823687 /nfs/dbraw/zinc/82/36/87/344823687.db2.gz IWMVINFJTHUWCN-HTQZYQBOSA-N 1 0 155.241 1.163 50 0 in-vitro ADAARO CC1(C)C[NH2+][C@H]1[C@H]1CCCO1 238853279 344823690 /nfs/dbraw/zinc/82/36/90/344823690.db2.gz IWMVINFJTHUWCN-SFYZADRCSA-N 1 0 155.241 1.163 50 0 in-vitro ADAARO CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C 238853887 344824011 /nfs/dbraw/zinc/82/40/11/344824011.db2.gz LNKAEQDCFIAODV-OPRDCNLKSA-N 1 0 183.295 1.800 50 0 in-vitro ADAARO C[C@H]1CCCN(C[C@H]2CCCC[NH2+]2)C1 242723192 344825751 /nfs/dbraw/zinc/82/57/51/344825751.db2.gz YFVFCHMUBAYVAT-NWDGAFQWSA-N 1 0 196.338 1.860 50 0 in-vitro ADAARO [NH3+][C@@H]1C[C@@H]2CCC[C@@H]21 250998454 344843892 /nfs/dbraw/zinc/84/38/92/344843892.db2.gz DFALMWNHZFXPSI-LYFYHCNISA-N 1 0 111.188 1.134 50 0 ADAARO Cc1ccc(O[C@H]2C[C@H]([NH3+])C2)cc1 251294686 344851487 /nfs/dbraw/zinc/85/14/87/344851487.db2.gz YMNVFTIVKLYQAI-HOMQSWHASA-N 1 0 177.247 1.864 50 0 ADAARO [NH3+]C[C@@H]1CCCC2(CCC2)O1 306950419 345714888 /nfs/dbraw/zinc/71/48/88/345714888.db2.gz YXMQKGPSAJWROV-QMMMGPOBSA-N 1 0 155.241 1.437 50 0 ADAARO COC[C@]1([NH3+])CC=CCC1 307104874 345812549 /nfs/dbraw/zinc/81/25/49/345812549.db2.gz BJRYPSJURUNWQK-QMMMGPOBSA-N 1 0 141.214 1.070 50 0 ADAARO CC(C)/C=C/CCCCNC(N)=[NH2+] 3154861 204019846 /nfs/dbraw/zinc/01/98/46/204019846.db2.gz QMJYKBKJBGDFOZ-FNORWQNLSA-N 1 0 183.299 1.852 50 0 ADAARO CCn1ccnc1[C@@H]1OCCC[C@H]1[NH3+] 307558646 346112227 /nfs/dbraw/zinc/11/22/27/346112227.db2.gz FZIWXKNYLARCQS-RKDXNWHRSA-N 1 0 195.266 1.082 50 0 ADAARO COc1ccc2[nH]c(N)[nH+]c2c1 5424656 207350849 /nfs/dbraw/zinc/35/08/49/207350849.db2.gz FXFSGALQLLEBJD-UHFFFAOYSA-N 1 0 163.180 1.154 50 0 in-vitro ADAARO Cc1ccccc1NCC[NH3+] 5420244 207350867 /nfs/dbraw/zinc/35/08/67/207350867.db2.gz MZBASJHBBLIDBH-UHFFFAOYSA-N 1 0 150.225 1.366 50 0 ADAARO c1cncc(COC[C@@H]2CC[NH2+]C2)c1 51888450 207353169 /nfs/dbraw/zinc/35/31/69/207353169.db2.gz BFWLEZJNBVFENH-LLVKDONJSA-N 1 0 192.262 1.208 50 0 ADAARO c1cncc(COC[C@H]2CC[NH2+]C2)c1 51888451 207353254 /nfs/dbraw/zinc/35/32/54/207353254.db2.gz BFWLEZJNBVFENH-NSHDSACASA-N 1 0 192.262 1.208 50 0 ADAARO COc1cncc([C@H]([NH3+])C2CC2)c1 96554609 207354315 /nfs/dbraw/zinc/35/43/15/207354315.db2.gz RAQIRORMFQQKTH-SNVBAGLBSA-N 1 0 178.235 1.500 50 0 ADAARO COc1cncc([C@@H]([NH3+])C2CC2)c1 96554612 207354382 /nfs/dbraw/zinc/35/43/82/207354382.db2.gz RAQIRORMFQQKTH-JTQLQIEISA-N 1 0 178.235 1.500 50 0 ADAARO [NH3+]C[C@@H]1CCc2cc(F)ccc2O1 145700431 207356558 /nfs/dbraw/zinc/35/65/58/207356558.db2.gz IYPVOSGPLOGNNR-VIFPVBQESA-N 1 0 181.210 1.478 50 0 ADAARO Cc1ccc2c(c1)C[N@@H+](CCO)C2 307751329 346220865 /nfs/dbraw/zinc/22/08/65/346220865.db2.gz NPJRKFWPSKNOQB-UHFFFAOYSA-N 1 0 177.247 1.303 50 0 ADAARO [NH3+][C@H](CC1CCCC1)C(=O)NC1CC1 308485010 346306773 /nfs/dbraw/zinc/30/67/73/346306773.db2.gz MZKFMPPZIIXGEN-SNVBAGLBSA-N 1 0 196.294 1.173 50 0 ADAARO Cc1nccc(N2CC(CF)C2)n1 334582665 346355188 /nfs/dbraw/zinc/35/51/88/346355188.db2.gz VBZRALBHWAZZKN-UHFFFAOYSA-N 1 0 181.214 1.191 50 0 ADAARO C[C@@]1(C[NH3+])OCCc2ccccc21 584880198 346747118 /nfs/dbraw/zinc/74/71/18/346747118.db2.gz IRCNHRUFYOZNBH-NSHDSACASA-N 1 0 177.247 1.433 50 0 ADAARO CC(C)CCCCN1CCNC(=O)C1 585136127 346753064 /nfs/dbraw/zinc/75/30/64/346753064.db2.gz RPJSFKORICDCNK-UHFFFAOYSA-N 1 0 198.310 1.245 50 0 ADAARO C[NH+](C)CCOc1ccc(F)cc1N 14629824 219805088 /nfs/dbraw/zinc/80/50/88/219805088.db2.gz DHAZPTCVKPVGAZ-UHFFFAOYSA-N 1 0 198.241 1.348 50 0 ADAARO c1cncc(OCC2CC[NH2+]CC2)c1 14631502 219805302 /nfs/dbraw/zinc/80/53/02/219805302.db2.gz PWFFKDBLNXCYLO-UHFFFAOYSA-N 1 0 192.262 1.460 50 0 in-vitro ADAARO Cc1ccccc1CO[C@H]1CC[NH2+]C1 14632035 219805328 /nfs/dbraw/zinc/80/53/28/219805328.db2.gz AHRXFAUMIGODGW-LBPRGKRZSA-N 1 0 191.274 1.874 50 0 ADAARO c1cncc(OC[C@@H]2CCC[NH2+]C2)c1 14631312 219805332 /nfs/dbraw/zinc/80/53/32/219805332.db2.gz QNXJEYATOQEFBE-SNVBAGLBSA-N 1 0 192.262 1.460 50 0 in-vitro ADAARO Oc1cccnc1C[NH+]1CCCC1 393919 351278371 /nfs/dbraw/zinc/27/83/71/351278371.db2.gz JUNVYXJFFGIRNO-UHFFFAOYSA-N 1 0 178.235 1.383 50 0 in-vitro ADAARO c1ccc2c(c1)CN1CC[NH+]=C1N2 1565324 351287561 /nfs/dbraw/zinc/28/75/61/351287561.db2.gz DLLZYXWYSUGNDI-UHFFFAOYSA-N 1 0 173.219 1.093 50 0 in-vitro ADAARO c1csc(C[NH2+]CC2CC2)n1 20216500 351403275 /nfs/dbraw/zinc/40/32/75/351403275.db2.gz NMKDSRYOKUGNQI-UHFFFAOYSA-N 1 0 168.265 1.643 50 0 ADAARO c1ccc(C[NH2+]Cc2cnc[nH]2)cc1 35392856 351450376 /nfs/dbraw/zinc/45/03/76/351450376.db2.gz LSZMCCGXDXEWJW-UHFFFAOYSA-N 1 0 187.246 1.700 50 0 in-vitro ADAARO OCCCCC[NH2+]Cc1ccccc1 13717800 351370863 /nfs/dbraw/zinc/37/08/63/351370863.db2.gz YMNRQBMCCMQGSH-UHFFFAOYSA-N 1 0 193.290 1.939 50 0 in-vitro ADAARO OCCC[NH2+]C/C=C/c1ccccc1 13943019 351372660 /nfs/dbraw/zinc/37/26/60/351372660.db2.gz SOWDCSAFWFQKKI-XBXARRHUSA-N 1 0 191.274 1.672 50 0 in-vitro ADAARO CC(C)C[N@@H+]1CCC[C@@H](CO)C1 15635486 351379079 /nfs/dbraw/zinc/37/90/79/351379079.db2.gz YHWDFDPQFYHWRK-SNVBAGLBSA-N 1 0 171.284 1.347 50 0 in-vitro ADAARO C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]1 19409097 351389605 /nfs/dbraw/zinc/38/96/05/351389605.db2.gz WTPTXPITMDBKKO-ZJUUUORDSA-N 1 0 196.294 1.139 50 0 ADAARO Oc1ccc([C@H]2CCC[NH2+]2)cc1 19391274 351389610 /nfs/dbraw/zinc/38/96/10/351389610.db2.gz NIVJZQZGIBLJNB-SNVBAGLBSA-N 1 0 163.220 1.817 50 0 in-vitro ADAARO CC[C@@H](C)NC(=O)[C@@H]1CCCC[NH2+]1 19411101 351389618 /nfs/dbraw/zinc/38/96/18/351389618.db2.gz RHEQOXRQIHTPKP-BDAKNGLRSA-N 1 0 184.283 1.043 50 0 ADAARO CC[C@@H](C)NC(=O)[C@H]1CCCC[NH2+]1 19411105 351389623 /nfs/dbraw/zinc/38/96/23/351389623.db2.gz RHEQOXRQIHTPKP-RKDXNWHRSA-N 1 0 184.283 1.043 50 0 ADAARO c1ccc2c3c([nH]c2c1)C[NH2+]CC3 19418965 351389627 /nfs/dbraw/zinc/38/96/27/351389627.db2.gz CFTOTSJVQRFXOF-UHFFFAOYSA-N 1 0 172.231 1.814 50 0 endogenous,investigational ADAARO C[C@@H](OC[C@H](O)C[NH3+])c1ccccc1 19387530 351389630 /nfs/dbraw/zinc/38/96/30/351389630.db2.gz SKGOONNUQSISGC-MWLCHTKSSA-N 1 0 195.262 1.084 50 0 in-vitro ADAARO C[C@@H](c1ccccc1)N1CC[NH2+]CC1 19735209 351394027 /nfs/dbraw/zinc/39/40/27/351394027.db2.gz PYBNQKSXWAIBKN-NSHDSACASA-N 1 0 190.290 1.653 50 0 in-vitro ADAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCNC1 36379429 351456624 /nfs/dbraw/zinc/45/66/24/351456624.db2.gz QQRILNLFDBBTQQ-GMTAPVOTSA-N 1 0 182.311 1.611 50 0 ADAARO CC(C)C[C@H](CO)[NH2+]C(C)C 38115780 351479581 /nfs/dbraw/zinc/47/95/81/351479581.db2.gz DHUVZFGZAGOBAB-SECBINFHSA-N 1 0 159.273 1.391 50 0 ADAARO C[C@@H](c1ccccc1)[C@H]([NH3+])CN 40240812 351505520 /nfs/dbraw/zinc/50/55/20/351505520.db2.gz FXLVGPWSHAUWFU-WCBMZHEXSA-N 1 0 164.252 1.076 50 0 ADAARO OCC1([NH2+]Cc2ccccc2)CCC1 82164179 351634103 /nfs/dbraw/zinc/63/41/03/351634103.db2.gz YJNPDPPLKBYCET-UHFFFAOYSA-N 1 0 191.274 1.691 50 0 in-vitro ADAARO C[C@@H]1C[C@H](CC[NH3+])CCO1 70535221 351603907 /nfs/dbraw/zinc/60/39/07/351603907.db2.gz XXBCFFVCEMIJMF-HTQZYQBOSA-N 1 0 143.230 1.150 50 0 in-vitro ADAARO c1ccc([C@@]23CCCN2CC[NH2+]3)cc1 71773433 351613074 /nfs/dbraw/zinc/61/30/74/351613074.db2.gz QJFWDBLABPFQPP-GFCCVEGCSA-N 1 0 188.274 1.538 50 0 ADAARO Cc1nc(C2C[C@@H]3CC[C@H](C2)[NH2+]3)no1 307068955 229141199 /nfs/dbraw/zinc/14/11/99/229141199.db2.gz YICCMCTWVGUBHO-CBLAIPOGSA-N 1 0 193.250 1.376 50 0 in-vitro ADAARO CC[C@H]1[NH2+]CC[C@@H]1N1CCCCC1 575548036 352629250 /nfs/dbraw/zinc/62/92/50/352629250.db2.gz AHNNHBYAZQYJBC-MNOVXSKESA-N 1 0 182.311 1.613 50 0 ADAARO CC1(C(=O)C[NH3+])CCCC1 87330406 325611209 /nfs/dbraw/zinc/61/12/09/325611209.db2.gz DBBBWCIWIJFGBP-UHFFFAOYSA-N 1 0 141.214 1.095 50 0 ADAARO COc1cccc([C@@H]([NH3+])C2CC2)n1 104669416 325617694 /nfs/dbraw/zinc/61/76/94/325617694.db2.gz RTQHNAXNVAPCDG-JTQLQIEISA-N 1 0 178.235 1.500 50 0 ADAARO [NH3+]Cc1cccc(F)c1OC(F)F 157590875 325625024 /nfs/dbraw/zinc/62/50/24/325625024.db2.gz BUOXMGCLFIDKNH-UHFFFAOYSA-N 1 0 191.152 1.886 50 0 in-vitro ADAARO C[n+]1c(CO)sc2ccccc21 283588 325595122 /nfs/dbraw/zinc/59/51/22/325595122.db2.gz VBGLBTBZLLKKHK-UHFFFAOYSA-N 1 0 180.252 1.218 50 0 ADAARO COc1ccccc1[C@@H]1CC[NH2+]C1 2509814 325596189 /nfs/dbraw/zinc/59/61/89/325596189.db2.gz LDHSRVLRYZPWRD-SECBINFHSA-N 1 0 177.247 1.772 50 0 in-vitro ADAARO C[C@H]1CC[C@@H](C)[NH2+]C1 32161722 325598372 /nfs/dbraw/zinc/59/83/72/325598372.db2.gz ICBFNPPCXPMCBP-NKWVEPMBSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[C@H]1CC[C@@H](C)C[NH2+]1 32161723 325598373 /nfs/dbraw/zinc/59/83/73/325598373.db2.gz ICBFNPPCXPMCBP-RQJHMYQMSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CCOC(=O)/C(C)=C/[C@@H]([NH2+]C)C(C)C 38271580 325600660 /nfs/dbraw/zinc/60/06/60/325600660.db2.gz LUNBKPDSNAQGPU-TTZKWOQHSA-N 1 0 199.294 1.740 50 0 ADAARO CN1C[C@](C)([NH+](C)C)CCC=CC1=O 43214855 325602715 /nfs/dbraw/zinc/60/27/15/325602715.db2.gz ZMGOZJZCIKBNLJ-LLVKDONJSA-N 1 0 196.294 1.115 50 0 ADAARO [NH3+]C[C@@H]1C[C@@]12CCOc1ccccc12 54587336 325603230 /nfs/dbraw/zinc/60/32/30/325603230.db2.gz IVFBSXFIPLAJAP-CABZTGNLSA-N 1 0 189.258 1.686 50 0 ADAARO C[C@H]1CC[C@](C)([NH3+])C1 70621837 325605299 /nfs/dbraw/zinc/60/52/99/325605299.db2.gz JGWGDVYJTSMCRZ-BQBZGAKWSA-N 1 0 113.204 1.524 50 0 ADAARO CO[C@@H](C[NH3+])C1CCCCC1 78500608 325606853 /nfs/dbraw/zinc/60/68/53/325606853.db2.gz SAGXQEXZNLAHBA-VIFPVBQESA-N 1 0 157.257 1.540 50 0 ADAARO Cc1cccc2c1C[C@@H]([NH3+])CO2 82850754 325607927 /nfs/dbraw/zinc/60/79/27/325607927.db2.gz FWNXSLYYYIRZFX-MRVPVSSYSA-N 1 0 163.220 1.257 50 0 ADAARO Cc1cccc2c1C[C@H]([NH3+])CO2 82850753 325607988 /nfs/dbraw/zinc/60/79/88/325607988.db2.gz FWNXSLYYYIRZFX-QMMMGPOBSA-N 1 0 163.220 1.257 50 0 ADAARO CC1CCC([C@H]([NH3+])CO)CC1 82856988 325608059 /nfs/dbraw/zinc/60/80/59/325608059.db2.gz YOOALSWFRSSZPV-AMDVSUOASA-N 1 0 157.257 1.132 50 0 ADAARO Cc1ccc2c(c1)OC[C@@H]2[NH3+] 82707537 325608150 /nfs/dbraw/zinc/60/81/50/325608150.db2.gz WJAHXDJJUGSXIA-QMMMGPOBSA-N 1 0 149.193 1.387 50 0 ADAARO CC1(C)CCC[C@](O)(C[NH3+])CC1 83436369 325608418 /nfs/dbraw/zinc/60/84/18/325608418.db2.gz ROAQLXHEHXTDLA-SNVBAGLBSA-N 1 0 171.284 1.667 50 0 in-vitro ADAARO CC[C@]([NH3+])(CCO)c1ccccc1 83617760 325608764 /nfs/dbraw/zinc/60/87/64/325608764.db2.gz OXKUCOFYKRJHPV-NSHDSACASA-N 1 0 179.263 1.633 50 0 ADAARO [NH3+][C@@H](Cc1ccncc1)c1ccccn1 83824949 325608795 /nfs/dbraw/zinc/60/87/95/325608795.db2.gz UQMVPPRIUNBEPG-NSHDSACASA-N 1 0 199.257 1.719 50 0 ADAARO [NH3+][C@H](Cc1ccncc1)c1ccccn1 83824947 325608815 /nfs/dbraw/zinc/60/88/15/325608815.db2.gz UQMVPPRIUNBEPG-LLVKDONJSA-N 1 0 199.257 1.719 50 0 ADAARO Cc1cc(C[C@H]2CCC[C@@H]2[NH3+])n(C)n1 84245985 325609310 /nfs/dbraw/zinc/60/93/10/325609310.db2.gz VATRBJDYQXXQQL-KOLCDFICSA-N 1 0 193.294 1.398 50 0 ADAARO CC1(C)C[NH2+]Cc2ccoc2C1 84306992 325609471 /nfs/dbraw/zinc/60/94/71/325609471.db2.gz MNGRTYNRRYMNCE-UHFFFAOYSA-N 1 0 165.236 1.952 50 0 ADAARO CC(C)(C)OC(=O)C1([NH3+])CCC1 84887977 325610347 /nfs/dbraw/zinc/61/03/47/325610347.db2.gz CGUJSNKYHNQLMB-UHFFFAOYSA-N 1 0 171.240 1.210 50 0 ADAARO CO[C@@H](C[NH3+])C1CCCC1 85099670 325610360 /nfs/dbraw/zinc/61/03/60/325610360.db2.gz VDYDZONULVTNGN-QMMMGPOBSA-N 1 0 143.230 1.150 50 0 ADAARO CC(=O)Nc1cccc2c1C[NH2+]CC2 86740732 325611039 /nfs/dbraw/zinc/61/10/39/325611039.db2.gz VNHMDZPGVOMMEC-UHFFFAOYSA-N 1 0 190.246 1.291 50 0 in-vitro ADAARO COc1ccc([C@H]([NH3+])C2CC2)cn1 95664989 325612582 /nfs/dbraw/zinc/61/25/82/325612582.db2.gz ICJMORFGUUYTBT-SNVBAGLBSA-N 1 0 178.235 1.500 50 0 ADAARO COc1cccc([C@H]([NH3+])C(C)C)n1 104524030 325617494 /nfs/dbraw/zinc/61/74/94/325617494.db2.gz HNLVCMISMOJDQK-SNVBAGLBSA-N 1 0 180.251 1.746 50 0 ADAARO CC(C)(C)[NH2+][C@@H](O)c1cccc(O)c1 104474742 325617525 /nfs/dbraw/zinc/61/75/25/325617525.db2.gz FBLBTCSOWGAGBO-JTQLQIEISA-N 1 0 195.262 1.771 50 0 ADAARO COc1cccc([C@H]([NH3+])C2CC2)n1 104523625 325617530 /nfs/dbraw/zinc/61/75/30/325617530.db2.gz RTQHNAXNVAPCDG-SNVBAGLBSA-N 1 0 178.235 1.500 50 0 ADAARO [NH3+][C@]12CCCC[C@H]1C2 104639430 325617699 /nfs/dbraw/zinc/61/76/99/325617699.db2.gz UDJSTQSIBVOCMJ-BQBZGAKWSA-N 1 0 111.188 1.278 50 0 in-vitro ADAARO C[C@H]1CCC[C@@]1(C)[NH3+] 104586565 325617725 /nfs/dbraw/zinc/61/77/25/325617725.db2.gz YRRPKYQXTRFWID-NKWVEPMBSA-N 1 0 113.204 1.524 50 0 ADAARO COc1cccc([C@@H]([NH3+])C(C)C)n1 104669409 325617740 /nfs/dbraw/zinc/61/77/40/325617740.db2.gz HNLVCMISMOJDQK-JTQLQIEISA-N 1 0 180.251 1.746 50 0 ADAARO C1C[C@H]2CC[C@@H](C[NH2+]1)S2 104614504 325617753 /nfs/dbraw/zinc/61/77/53/325617753.db2.gz CSDAKQPREBAHAU-RQJHMYQMSA-N 1 0 143.255 1.244 50 0 ADAARO CC([NH3+])(C1CC1)C1CC1 104657725 325617822 /nfs/dbraw/zinc/61/78/22/325617822.db2.gz OCGZTQGVLRKIEZ-UHFFFAOYSA-N 1 0 125.215 1.524 50 0 ADAARO Cc1ccccc1[C@H]([NH3+])CF 107117560 325618577 /nfs/dbraw/zinc/61/85/77/325618577.db2.gz RKXCXOZFHQMEQG-SECBINFHSA-N 1 0 153.200 1.964 50 0 ADAARO Fc1ccc2c(c1)OCC[NH2+]C2 107121128 325618585 /nfs/dbraw/zinc/61/85/85/325618585.db2.gz MCVXZLUQBPRIOC-UHFFFAOYSA-N 1 0 167.183 1.308 50 0 in-vitro ADAARO COc1cccc([C@@H]([NH3+])CF)c1 107121954 325618598 /nfs/dbraw/zinc/61/85/98/325618598.db2.gz ZFPZCGDSODIWIJ-VIFPVBQESA-N 1 0 169.199 1.665 50 0 ADAARO Cc1cc(C[NH3+])cc2cc[nH]c12 107119838 325618744 /nfs/dbraw/zinc/61/87/44/325618744.db2.gz PDEGVWSXWPSIQQ-UHFFFAOYSA-N 1 0 160.220 1.935 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCC[C@@H]2C[C@H]12 107155923 325619024 /nfs/dbraw/zinc/61/90/24/325619024.db2.gz LNDVUBMELRVYOP-CSMHCCOUSA-N 1 0 125.215 1.381 50 0 ADAARO [NH3+][C@H]1CCc2cccc(F)c21 107157488 325619224 /nfs/dbraw/zinc/61/92/24/325619224.db2.gz WJKDEUGZOJWUPL-QMMMGPOBSA-N 1 0 151.184 1.772 50 0 ADAARO C[C@@H]1CCC[C@@]1(C)[NH3+] 113477001 325620963 /nfs/dbraw/zinc/62/09/63/325620963.db2.gz YRRPKYQXTRFWID-RNFRBKRXSA-N 1 0 113.204 1.524 50 0 ADAARO C[C@@H]1CCC[C@]1(C)[NH3+] 113477003 325621090 /nfs/dbraw/zinc/62/10/90/325621090.db2.gz YRRPKYQXTRFWID-RQJHMYQMSA-N 1 0 113.204 1.524 50 0 ADAARO CCOC(=O)/C(C)=C/[C@H]([NH2+]C)C(C)C 113091675 325621092 /nfs/dbraw/zinc/62/10/92/325621092.db2.gz LUNBKPDSNAQGPU-PCYYEKQGSA-N 1 0 199.294 1.740 50 0 ADAARO C[C@@]12CCC[C@@H](C[NH2+]1)C2 225797062 325630200 /nfs/dbraw/zinc/63/02/00/325630200.db2.gz GKCQLNYFRZQACN-SFYZADRCSA-N 1 0 125.215 1.539 50 0 ADAARO Nc1cccc2c1[C@@H]([NH3+])CCC2 238590433 325632352 /nfs/dbraw/zinc/63/23/52/325632352.db2.gz PASFGIBOYBGDQV-VIFPVBQESA-N 1 0 162.236 1.605 50 0 ADAARO [NH3+][C@H]1CC[C@@H](c2ncc[nH]2)CC1 238693903 325633401 /nfs/dbraw/zinc/63/34/01/325633401.db2.gz DJYYTFMSLFGZJS-ZKCHVHJHSA-N 1 0 165.240 1.395 50 0 ADAARO c1ccc2c(c1)CC1(CC[NH2+]CC1)N2 257838651 325637638 /nfs/dbraw/zinc/63/76/38/325637638.db2.gz LKMVGIKWEDHMON-UHFFFAOYSA-N 1 0 188.274 1.777 50 0 ADAARO c1ccc(C23CC(C[NH2+]2)C3)cc1 258095963 325637647 /nfs/dbraw/zinc/63/76/47/325637647.db2.gz XGNBBZIYJQLHAP-UHFFFAOYSA-N 1 0 159.232 1.895 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@]12CCCC[C@@H]1C2 257969780 325637649 /nfs/dbraw/zinc/63/76/49/325637649.db2.gz IBGQFOMTASFTPY-YIZRAAEISA-N 1 0 139.242 1.914 50 0 in-vitro ADAARO CCOC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH3+] 261038691 325638630 /nfs/dbraw/zinc/63/86/30/325638630.db2.gz CFRDVZHAVFJIFL-QLEHZGMVSA-N 1 0 197.278 1.313 50 0 ADAARO [NH3+]Cc1c[nH]c(=O)c2ccccc12 307280947 325640633 /nfs/dbraw/zinc/64/06/33/325640633.db2.gz ACMACVLGQJRPSL-UHFFFAOYSA-N 1 0 174.203 1.399 50 0 ADAARO Cc1ccc2c(c1)[n+](=O)ccn2O 334138825 325641716 /nfs/dbraw/zinc/64/17/16/325641716.db2.gz JHMSBAWZPXDPMG-UHFFFAOYSA-N 1 0 177.183 1.102 50 0 ADAARO [NH3+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]21 521398428 325645152 /nfs/dbraw/zinc/64/51/52/325645152.db2.gz GXQQKUOFTSWVRE-IVZWLZJFSA-N 1 0 163.195 1.423 50 0 ADAARO CC[C@]1(C(F)(F)F)C[NH2+]CCO1 536949646 325667397 /nfs/dbraw/zinc/66/73/97/325667397.db2.gz FEOPNXQULKGMKG-ZCFIWIBFSA-N 1 0 183.173 1.317 50 0 ADAARO CC1(C)C[NH2+]C[C@@H]1c1cc[nH]n1 536950393 325667822 /nfs/dbraw/zinc/66/78/22/325667822.db2.gz HLAHYGZHHQNMAA-SSDOTTSWSA-N 1 0 165.240 1.123 50 0 ADAARO CC1(C)C[NH2+]C[C@H]1c1cc[nH]n1 536950400 325667837 /nfs/dbraw/zinc/66/78/37/325667837.db2.gz HLAHYGZHHQNMAA-ZETCQYMHSA-N 1 0 165.240 1.123 50 0 ADAARO C[C@@]1(C[NH3+])CCOC2(CCC2)C1 536952849 325668850 /nfs/dbraw/zinc/66/88/50/325668850.db2.gz HQPWMHCEQHRCPG-SECBINFHSA-N 1 0 169.268 1.685 50 0 ADAARO [NH3+][C@@H]1CCC[C@H]2C[C@H]2CC1 536953071 325669149 /nfs/dbraw/zinc/66/91/49/325669149.db2.gz RMEDTMKYQJMXNB-DJLDLDEBSA-N 1 0 139.242 1.914 50 0 ADAARO O[C@H]1CCC=CCC[C@@H]1[NH+]1CCCC1 536953353 325669448 /nfs/dbraw/zinc/66/94/48/325669448.db2.gz GSFMIBVRJQLIMQ-RYUDHWBXSA-N 1 0 195.306 1.942 50 0 ADAARO O[C@@H]1CCC=CCC[C@H]1[NH+]1CCCC1 536953354 325669452 /nfs/dbraw/zinc/66/94/52/325669452.db2.gz GSFMIBVRJQLIMQ-VXGBXAGGSA-N 1 0 195.306 1.942 50 0 ADAARO [NH3+][C@]1(c2ccccc2F)C[C@H](O)C1 536957147 325671836 /nfs/dbraw/zinc/67/18/36/325671836.db2.gz CAUMHWRINTWOCW-WKFQBHICSA-N 1 0 181.210 1.134 50 0 ADAARO C[C@H]1CCC[C@@H]1[NH3+] 1602494 342951191 /nfs/dbraw/zinc/95/11/91/342951191.db2.gz TYDMZADCGUWTCH-WDSKDSINSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])C(=O)OC(C)(C)C 156861 342929383 /nfs/dbraw/zinc/92/93/83/342929383.db2.gz RJBVJBGFJIHJSZ-ZETCQYMHSA-N 1 0 173.256 1.311 50 0 biogenic ADAARO C[C@H]1CCCC[N@@H+]1CCCO 1693790 342959336 /nfs/dbraw/zinc/95/93/36/342959336.db2.gz JNSUUJLFWBSBME-VIFPVBQESA-N 1 0 157.257 1.243 50 0 ADAARO C[C@H]([NH3+])[C@@H](O)c1ccccc1 1100 342923543 /nfs/dbraw/zinc/92/35/43/342923543.db2.gz DLNKOYKMWOXYQA-IONNQARKSA-N 1 0 151.209 1.067 50 0 biogenic,in-man ADAARO C[N@@H+]1CCC[C@@H]1c1cccnc1 1798 342923763 /nfs/dbraw/zinc/92/37/63/342923763.db2.gz SNICXCGAKADSCV-SNVBAGLBSA-N 1 0 162.236 1.848 50 0 biogenic,fda ADAARO Cc1cc(N(C)C)cc(N)[nH+]1 5205 342923644 /nfs/dbraw/zinc/92/36/44/342923644.db2.gz VYXZVYMNCWBSBV-UHFFFAOYSA-N 1 0 151.213 1.038 50 0 ADAARO Cc1cccc(C)c1NC(=O)[C@H](C)[NH3+] 2283 342923821 /nfs/dbraw/zinc/92/38/21/342923821.db2.gz BUJAGSGYPOAWEI-VIFPVBQESA-N 1 0 192.262 1.589 50 0 world ADAARO Cc1cc(N(C)C)ccc1C[C@H](C)[NH3+] 915 342923836 /nfs/dbraw/zinc/92/38/36/342923836.db2.gz HFQMYSHATTXRTC-JTQLQIEISA-N 1 0 192.306 1.951 50 0 in-man ADAARO COc1ccc2[nH]c(C[NH3+])cc2c1 12384 342924058 /nfs/dbraw/zinc/92/40/58/342924058.db2.gz UGMMLOHVKZGOJU-UHFFFAOYSA-N 1 0 176.219 1.635 50 0 in-vitro ADAARO C[C@H]1O[C@@]2(CS1)C[NH+]1CCC2CC1 10164 342924178 /nfs/dbraw/zinc/92/41/78/342924178.db2.gz WUTYZMFRCNBCHQ-WCBMZHEXSA-N 1 0 199.319 1.560 50 0 fda ADAARO CN1CCc2c1[nH+]c1ccccc1c2N 15525 342924181 /nfs/dbraw/zinc/92/41/81/342924181.db2.gz HQMPUWYVYYFFSK-UHFFFAOYSA-N 1 0 199.257 1.809 50 0 biogenic ADAARO Cc1cc([C@@H]2CCC[NH2+]2)on1 8089 342924270 /nfs/dbraw/zinc/92/42/70/342924270.db2.gz PJMAXCRZQLWZFH-ZETCQYMHSA-N 1 0 152.197 1.408 50 0 in-vitro ADAARO C[C@H]1O[C@]2(CS1)C[NH+]1CCC2CC1 8699 342924275 /nfs/dbraw/zinc/92/42/75/342924275.db2.gz WUTYZMFRCNBCHQ-WPRPVWTQSA-N 1 0 199.319 1.560 50 0 in-man ADAARO Cc1cc([C@H]2CCC[NH2+]2)on1 8090 342924289 /nfs/dbraw/zinc/92/42/89/342924289.db2.gz PJMAXCRZQLWZFH-SSDOTTSWSA-N 1 0 152.197 1.408 50 0 in-vitro ADAARO C[NH+](C)CCC(=O)c1ccc(O)cc1 36649 342924435 /nfs/dbraw/zinc/92/44/35/342924435.db2.gz PWLQUVMOVTVBEH-UHFFFAOYSA-N 1 0 193.246 1.527 50 0 ADAARO Cc1cc(C)[n+]2ccccc2n1 40083 342924451 /nfs/dbraw/zinc/92/44/51/342924451.db2.gz UUSIZFXIVNATEL-UHFFFAOYSA-N 1 0 159.212 1.437 50 0 ADAARO C[NH+](C)CCC(=O)c1ccco1 36665 342924499 /nfs/dbraw/zinc/92/44/99/342924499.db2.gz JCGNZXDTKVRPCF-UHFFFAOYSA-N 1 0 167.208 1.414 50 0 ADAARO Cc1cc(C)[n+](F)c(C)c1 39434 342924678 /nfs/dbraw/zinc/92/46/78/342924678.db2.gz JMEOVHKKRMLNBM-UHFFFAOYSA-N 1 0 140.181 1.632 50 0 in-vitro ADAARO C[N@@H+]1CCC[C@@H]1c1cccnc1N 40177 342924905 /nfs/dbraw/zinc/92/49/05/342924905.db2.gz IFQQQYVVFJFUMU-SECBINFHSA-N 1 0 177.251 1.431 50 0 biogenic,in-vitro ADAARO Cc1n[nH]c(C)c1[C@@H](C)[NH3+] 54781 342925007 /nfs/dbraw/zinc/92/50/07/342925007.db2.gz BDDVQOCZUMFMRH-SCSAIBSYSA-N 1 0 139.202 1.046 50 0 ADAARO CC[C@H]([NH3+])Cc1ccc(C)c(O)c1 56469 342925057 /nfs/dbraw/zinc/92/50/57/342925057.db2.gz ZPDWHORJHVKVPL-JTQLQIEISA-N 1 0 179.263 1.980 50 0 ADAARO COc1ccc2[nH]cc(CC[NH3+])c2c1 57163 342925396 /nfs/dbraw/zinc/92/53/96/342925396.db2.gz JTEJPPKMYBDEMY-UHFFFAOYSA-N 1 0 190.246 1.678 50 0 endogenous,investigational ADAARO Cc1cc(C)n2[o+]c(C)cc2n1 80995 342926079 /nfs/dbraw/zinc/92/60/79/342926079.db2.gz VVZCCKPOFNYEOQ-UHFFFAOYSA-N 1 0 163.200 1.339 50 0 ADAARO Cc1cccc2c(CC[NH3+])c[nH]c12 112537 342926963 /nfs/dbraw/zinc/92/69/63/342926963.db2.gz SGGBZKQTWMKXHD-UHFFFAOYSA-N 1 0 174.247 1.978 50 0 in-vitro ADAARO Cc1cc(NCc2ccco2)ncn1 126854 342927366 /nfs/dbraw/zinc/92/73/66/342927366.db2.gz NBKNIZKSVNHJNT-UHFFFAOYSA-N 1 0 189.218 1.990 50 0 in-vitro ADAARO Cc1cc(C)[n+]2ccsc2n1 124319 342927416 /nfs/dbraw/zinc/92/74/16/342927416.db2.gz NMLVVNFDADNBDU-UHFFFAOYSA-N 1 0 165.241 1.499 50 0 ADAARO CCc1n[n+]2c(C)cc(C)nc2s1 124254 342927477 /nfs/dbraw/zinc/92/74/77/342927477.db2.gz LTIXWQZLSVYQJQ-UHFFFAOYSA-N 1 0 194.283 1.456 50 0 ADAARO C[NH+](C)C[C@@H]1CCCCC1=O 133297 342927632 /nfs/dbraw/zinc/92/76/32/342927632.db2.gz QDHLEFBSGUGHCL-QMMMGPOBSA-N 1 0 155.241 1.307 50 0 in-vitro ADAARO C[NH+](C)C[C@H]1CCCCC1=O 133259 342927783 /nfs/dbraw/zinc/92/77/83/342927783.db2.gz QDHLEFBSGUGHCL-MRVPVSSYSA-N 1 0 155.241 1.307 50 0 in-vitro ADAARO Cc1c(CC[NH3+])c2ccccc2n1C 129265 342927891 /nfs/dbraw/zinc/92/78/91/342927891.db2.gz KBEZJUQXXJDBDZ-UHFFFAOYSA-N 1 0 188.274 1.988 50 0 in-vitro ADAARO CC(C)Oc1ccccc1C[NH3+] 153924 342928517 /nfs/dbraw/zinc/92/85/17/342928517.db2.gz RJWAKPHKRZMFHG-UHFFFAOYSA-N 1 0 165.236 1.933 50 0 in-vitro ADAARO Cc1[nH]c2ccccc2c1CC[NH3+] 140764 342928262 /nfs/dbraw/zinc/92/82/62/342928262.db2.gz CPVSLHQIPGTMLH-UHFFFAOYSA-N 1 0 174.247 1.978 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc(S(C)(=O)=O)cc1 154307 342928521 /nfs/dbraw/zinc/92/85/21/342928521.db2.gz XJAMLZUKCSRXAF-ZETCQYMHSA-N 1 0 199.275 1.110 50 0 in-vitro ADAARO C[C@H](O)C[NH+]1CCCCCC1 154430 342928607 /nfs/dbraw/zinc/92/86/07/342928607.db2.gz RHULHUMGLDCWCP-VIFPVBQESA-N 1 0 157.257 1.243 50 0 in-vitro ADAARO CN(C)c1cccc(C[NH3+])c1 153938 342928625 /nfs/dbraw/zinc/92/86/25/342928625.db2.gz SJIFOHPZHHKGLQ-UHFFFAOYSA-N 1 0 150.225 1.211 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])C(=O)OC(C)(C)C 156862 342929334 /nfs/dbraw/zinc/92/93/34/342929334.db2.gz RJBVJBGFJIHJSZ-SSDOTTSWSA-N 1 0 173.256 1.311 50 0 biogenic ADAARO C[C@H]([NH3+])[C@H](O)c1ccccc1 157545 342929341 /nfs/dbraw/zinc/92/93/41/342929341.db2.gz DLNKOYKMWOXYQA-CBAPKCEASA-N 1 0 151.209 1.067 50 0 aggregator,biogenic,in-man ADAARO [NH3+]Cc1ccc2c(c1)CCO2 158517 342929707 /nfs/dbraw/zinc/92/97/07/342929707.db2.gz WQXWNTPLZFVZNX-UHFFFAOYSA-N 1 0 149.193 1.080 50 0 in-vitro ADAARO Cc1nn(-c2ccccc2)nc1C[NH3+] 158831 342929709 /nfs/dbraw/zinc/92/97/09/342929709.db2.gz NUKMUNLDDAJKOE-UHFFFAOYSA-N 1 0 188.234 1.034 50 0 ADAARO Cc1cc(C(F)(F)F)cc(NN)[nH+]1 159611 342929711 /nfs/dbraw/zinc/92/97/11/342929711.db2.gz MBJJCIYNRRPIGV-UHFFFAOYSA-N 1 0 191.156 1.694 50 0 in-vitro ADAARO CC1(C)COC(C2CC[NH2+]CC2)OC1 161912 342930077 /nfs/dbraw/zinc/93/00/77/342930077.db2.gz IQUULRKHPBCWJW-UHFFFAOYSA-N 1 0 199.294 1.385 50 0 ADAARO c1cc(CC[NH+]2CCCC2)ccn1 163336 342930410 /nfs/dbraw/zinc/93/04/10/342930410.db2.gz GNJYGFKCUMGKOY-UHFFFAOYSA-N 1 0 176.263 1.720 50 0 in-vivo ADAARO CCc1nc(C=O)c(C)[nH]1 164638 342930419 /nfs/dbraw/zinc/93/04/19/342930419.db2.gz RLBMKAXUSJOVJI-UHFFFAOYSA-N 1 0 138.170 1.093 50 0 in-vitro ADAARO C[NH+](C)CCc1ccccn1 164755 342930586 /nfs/dbraw/zinc/93/05/86/342930586.db2.gz FXHJGPDCPMCUKW-UHFFFAOYSA-N 1 0 150.225 1.186 50 0 ADAARO Cc1ccc(C(N)=[NH2+])cc1 166777 342930740 /nfs/dbraw/zinc/93/07/40/342930740.db2.gz UBYXITFNZVIVDW-UHFFFAOYSA-N 1 0 134.182 1.279 50 0 in-vitro ADAARO Cc1ccsc1C[NH3+] 165948 342930915 /nfs/dbraw/zinc/93/09/15/342930915.db2.gz SWZNXCABBUKIPZ-UHFFFAOYSA-N 1 0 127.212 1.515 50 0 in-vitro ADAARO CCCN1CCC([NH+]2CCCC2)CC1 182052 342931188 /nfs/dbraw/zinc/93/11/88/342931188.db2.gz YUDYOZMCTYRVGA-UHFFFAOYSA-N 1 0 196.338 1.957 50 0 ADAARO c1ccc(C2=[NH+]CCCCN2)cc1 188448 342931228 /nfs/dbraw/zinc/93/12/28/342931228.db2.gz YPSSKZYWAMIXNE-UHFFFAOYSA-N 1 0 174.247 1.817 50 0 ADAARO C[NH+](C)CCN1CCc2ccccc21 185131 342931237 /nfs/dbraw/zinc/93/12/37/342931237.db2.gz BNAWSOWKSSIPGW-UHFFFAOYSA-N 1 0 190.290 1.611 50 0 ADAARO Cc1cc(C)[n+]2c(C)csc2n1 247196 342931953 /nfs/dbraw/zinc/93/19/53/342931953.db2.gz JCEDUICLDRTIOK-UHFFFAOYSA-N 1 0 179.268 1.807 50 0 ADAARO [NH3+]CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 244201 342932036 /nfs/dbraw/zinc/93/20/36/342932036.db2.gz RYKCTCWOWSGKPH-IXBNRNDTSA-N 1 0 181.279 1.276 50 0 ADAARO C[n+]1cccc2cc(O)ccc21 261990 342932322 /nfs/dbraw/zinc/93/23/22/342932322.db2.gz QZNZRLKIBMZEIK-UHFFFAOYSA-O 1 0 160.196 1.370 50 0 ADAARO Cc1ccc(C(=O)CC[NH+](C)C)o1 268396 342932315 /nfs/dbraw/zinc/93/23/15/342932315.db2.gz WUNSSJMUZLMBOK-UHFFFAOYSA-N 1 0 181.235 1.722 50 0 ADAARO CCc1c2ccc(C)n2c(C)c[n+]1C 270652 342932366 /nfs/dbraw/zinc/93/23/66/342932366.db2.gz FDLSBKNSXLSBPU-UHFFFAOYSA-N 1 0 189.282 1.943 50 0 ADAARO C[C@H](O)C[NH2+]Cc1ccccc1F 268957 342932381 /nfs/dbraw/zinc/93/23/81/342932381.db2.gz RDXJXBHOADGGBR-QMMMGPOBSA-N 1 0 183.226 1.296 50 0 ADAARO CC(C)[C@@H]([NH3+])C(=O)NC1CCCCC1 252372 342932464 /nfs/dbraw/zinc/93/24/64/342932464.db2.gz NTLOVUMPYFDNSG-SNVBAGLBSA-N 1 0 198.310 1.419 50 0 ADAARO C[N@@H+]1CCC[C@@H]1c1ccc(N)nc1 251188 342932470 /nfs/dbraw/zinc/93/24/70/342932470.db2.gz FARGKMUKCFJLSU-SECBINFHSA-N 1 0 177.251 1.431 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])C(=O)NC1CCCCC1 252370 342932479 /nfs/dbraw/zinc/93/24/79/342932479.db2.gz NTLOVUMPYFDNSG-JTQLQIEISA-N 1 0 198.310 1.419 50 0 in-vitro ADAARO C[C@H]1C(=O)CC[NH2+][C@H]1c1ccccc1 270725 342932482 /nfs/dbraw/zinc/93/24/82/342932482.db2.gz WXIFLNDOTSRSQF-JOYOIKCWSA-N 1 0 189.258 1.926 50 0 ADAARO C[NH+](C)CC[S@](=O)c1ccccc1 271016 342932490 /nfs/dbraw/zinc/93/24/90/342932490.db2.gz COUGFVDUWCWUJI-CYBMUJFWSA-N 1 0 197.303 1.356 50 0 ADAARO C[N@@H+]1CCC[C@H]1c1ccc(N)nc1 251181 342932536 /nfs/dbraw/zinc/93/25/36/342932536.db2.gz FARGKMUKCFJLSU-VIFPVBQESA-N 1 0 177.251 1.431 50 0 in-vitro ADAARO C[n+]1ccc(-c2ccncc2)cc1 287868 342932930 /nfs/dbraw/zinc/93/29/30/342932930.db2.gz PFFANLXVTHIIBE-UHFFFAOYSA-N 1 0 171.223 1.573 50 0 ADAARO Cc1cc[n+](CCO)c2ccccc12 294862 342932941 /nfs/dbraw/zinc/93/29/41/342932941.db2.gz LILGQFGFIGFPKR-UHFFFAOYSA-N 1 0 188.250 1.428 50 0 in-vitro ADAARO C[n+]1cc(Cl)cc(Cl)c1 330896 342933202 /nfs/dbraw/zinc/93/32/02/342933202.db2.gz YYQGOWPULKWZSC-UHFFFAOYSA-N 1 0 163.027 1.818 50 0 ADAARO [NH3+]C[C@H]1OCCc2ccccc21 326273 342933273 /nfs/dbraw/zinc/93/32/73/342933273.db2.gz ILJDAFPFCCVDKU-SNVBAGLBSA-N 1 0 163.220 1.259 50 0 in-vitro ADAARO C[n+]1cccc(Cl)c1 330911 342933259 /nfs/dbraw/zinc/93/32/59/342933259.db2.gz WGUDVGBIIATHCI-UHFFFAOYSA-N 1 0 128.582 1.165 50 0 ADAARO C[NH+](C)CCn1cnc2ccccc21 315185 342933316 /nfs/dbraw/zinc/93/33/16/342933316.db2.gz VROKMVIWNLXCFR-UHFFFAOYSA-N 1 0 189.262 1.598 50 0 ADAARO [NH3+]C[C@@H]1OCCc2ccccc21 326271 342933325 /nfs/dbraw/zinc/93/33/25/342933325.db2.gz ILJDAFPFCCVDKU-JTQLQIEISA-N 1 0 163.220 1.259 50 0 in-vitro ADAARO C[n+]1cncc(-c2ccccc2)c1 331599 342933716 /nfs/dbraw/zinc/93/37/16/342933716.db2.gz TYOIMEIJPLDQRD-UHFFFAOYSA-N 1 0 171.223 1.573 50 0 ADAARO CC(C)[NH2+]C[C@@H](O)c1ccccc1 336574 342933843 /nfs/dbraw/zinc/93/38/43/342933843.db2.gz YANYGOBZUASRHR-LLVKDONJSA-N 1 0 179.263 1.718 50 0 in-vitro ADAARO CC(=O)C[C@@H]1CCCC[N@H+]1C 336705 342933952 /nfs/dbraw/zinc/93/39/52/342933952.db2.gz TYHJMEIBGDDCPA-VIFPVBQESA-N 1 0 155.241 1.450 50 0 endogenous,in-man ADAARO Cc1[nH]c(C)c(C)[nH+]1 335480 342933986 /nfs/dbraw/zinc/93/39/86/342933986.db2.gz PTBPTNCGZUOCBK-UHFFFAOYSA-N 1 0 110.160 1.335 50 0 ADAARO CN(C)c1cc(N)c2c([nH+]1)CCC2 333863 342933992 /nfs/dbraw/zinc/93/39/92/342933992.db2.gz HXLDQWPXDLGJSI-UHFFFAOYSA-N 1 0 177.251 1.219 50 0 ADAARO Cc1cccc(-n2cc(C[NH3+])cn2)c1 333407 342934069 /nfs/dbraw/zinc/93/40/69/342934069.db2.gz OVDUYNRSBLFGDZ-UHFFFAOYSA-N 1 0 187.246 1.639 50 0 ADAARO C[n+]1ccccc1-c1ccccn1 343329 342934347 /nfs/dbraw/zinc/93/43/47/342934347.db2.gz JXBCKGDMEUICJN-UHFFFAOYSA-N 1 0 171.223 1.573 50 0 ADAARO Cc1ccsc1C[NH2+]C(C)(C)CO 359840 342934831 /nfs/dbraw/zinc/93/48/31/342934831.db2.gz IFQLAGXBYFTXBB-UHFFFAOYSA-N 1 0 199.319 1.917 50 0 ADAARO Cc1ccc(C[NH2+]C[C@H](C)O)s1 360079 342934717 /nfs/dbraw/zinc/93/47/17/342934717.db2.gz JLVFMHMDKADIAM-ZETCQYMHSA-N 1 0 185.292 1.527 50 0 in-vitro ADAARO Cc1ccccc1C1(O)CC[NH2+]CC1 347518 342934812 /nfs/dbraw/zinc/93/48/12/342934812.db2.gz IEMMIKLKEBDQLL-UHFFFAOYSA-N 1 0 191.274 1.566 50 0 in-vitro ADAARO C[NH+](C)[C@H]1CCCCC1=O 346216 342934850 /nfs/dbraw/zinc/93/48/50/342934850.db2.gz JOZKRRZOWRUDEK-ZETCQYMHSA-N 1 0 141.214 1.060 50 0 ADAARO OC1(c2ccc(F)cc2)CC[NH2+]CC1 347517 342934877 /nfs/dbraw/zinc/93/48/77/342934877.db2.gz QXWRXWPNHLIZBV-UHFFFAOYSA-N 1 0 195.237 1.397 50 0 in-vitro ADAARO C[NH+](C)[C@@H]1CCCCC1=O 346217 342934903 /nfs/dbraw/zinc/93/49/03/342934903.db2.gz JOZKRRZOWRUDEK-SSDOTTSWSA-N 1 0 141.214 1.060 50 0 ADAARO Cc1ccsc1C[NH2+]C[C@@H](C)O 378514 342935183 /nfs/dbraw/zinc/93/51/83/342935183.db2.gz IRXFDSBXEGLIFN-MRVPVSSYSA-N 1 0 185.292 1.527 50 0 in-vitro ADAARO Cc1[nH]c2ccc(N)cc2[nH+]1 368808 342935301 /nfs/dbraw/zinc/93/53/01/342935301.db2.gz UJYKXBDYOPPOCY-UHFFFAOYSA-N 1 0 147.181 1.454 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc(F)cc1 388326 342935633 /nfs/dbraw/zinc/93/56/33/342935633.db2.gz QGCLEUGNYRXBMZ-LURJTMIESA-N 1 0 139.173 1.845 50 0 in-vitro ADAARO COc1ccccc1[C@@H](C)[NH3+] 389094 342936027 /nfs/dbraw/zinc/93/60/27/342936027.db2.gz VENQOHAPVLVQKV-SSDOTTSWSA-N 1 0 151.209 1.715 50 0 in-vitro ADAARO CC(C)[NH+](CCO)C(C)C 388429 342936031 /nfs/dbraw/zinc/93/60/31/342936031.db2.gz ZYWUVGFIXPNBDL-UHFFFAOYSA-N 1 0 145.246 1.098 50 0 ADAARO Cc1cc(C)[n+]2cc(C)sc2n1 391040 342936273 /nfs/dbraw/zinc/93/62/73/342936273.db2.gz NHFFSRHKNOZRES-UHFFFAOYSA-N 1 0 179.268 1.807 50 0 ADAARO CN(C)[C@@H]1CCc2ccccc2C1=O 391373 342936354 /nfs/dbraw/zinc/93/63/54/342936354.db2.gz GDDNPKYISZOYAA-LLVKDONJSA-N 1 0 189.258 1.746 50 0 ADAARO C[N@@H+]1CCC[C@H]1c1cccnc1 391812 342936775 /nfs/dbraw/zinc/93/67/75/342936775.db2.gz SNICXCGAKADSCV-JTQLQIEISA-N 1 0 162.236 1.848 50 0 endogenous,fda ADAARO Cc1cc2nc(C[NH3+])[nH]c2cc1C 393544 342936785 /nfs/dbraw/zinc/93/67/85/342936785.db2.gz YVGNMPOXSOIKSS-UHFFFAOYSA-N 1 0 175.235 1.638 50 0 in-vitro ADAARO CC(C)[NH2+]C[C@@](C)(O)c1ccccc1 392707 342936795 /nfs/dbraw/zinc/93/67/95/342936795.db2.gz PTOQHMDUZFGLGH-GFCCVEGCSA-N 1 0 193.290 1.892 50 0 ADAARO CCC[NH+](CCC)C[C@H](C)O 393673 342936921 /nfs/dbraw/zinc/93/69/21/342936921.db2.gz LAOZQNBBEXGXBN-VIFPVBQESA-N 1 0 159.273 1.489 50 0 in-vitro ADAARO CC[NH+](CC)CC(C)(C)CO 394084 342936974 /nfs/dbraw/zinc/93/69/74/342936974.db2.gz YOWSYKCRNIREGL-UHFFFAOYSA-N 1 0 159.273 1.347 50 0 ADAARO c1ccc(CC[NH+]2CCCC2)nc1 393798 342937075 /nfs/dbraw/zinc/93/70/75/342937075.db2.gz OXEFHEYEQUISKC-UHFFFAOYSA-N 1 0 176.263 1.720 50 0 in-vivo ADAARO CCn1c(C)[nH+]c2cc(N)ccc21 394292 342937125 /nfs/dbraw/zinc/93/71/25/342937125.db2.gz RLOVAGFZMREHEK-UHFFFAOYSA-N 1 0 175.235 1.947 50 0 in-vitro ADAARO C[NH+](C)Cc1ccccn1 393881 342937147 /nfs/dbraw/zinc/93/71/47/342937147.db2.gz HRUBXJBPLLZTAN-UHFFFAOYSA-N 1 0 136.198 1.143 50 0 in-vitro ADAARO CC[n+]1c(C)csc1C 394184 342937149 /nfs/dbraw/zinc/93/71/49/342937149.db2.gz JBTJVIBZVXRERL-UHFFFAOYSA-N 1 0 142.247 1.672 50 0 ADAARO C[N+]1=Cc2cc3c(cc2CC1)OCO3 394632 342937406 /nfs/dbraw/zinc/93/74/06/342937406.db2.gz LGDCROILDUSHQX-UHFFFAOYSA-N 1 0 190.222 1.033 50 0 in-vitro ADAARO CC(C)[NH+]1CCC(=O)CC1 394917 342937489 /nfs/dbraw/zinc/93/74/89/342937489.db2.gz CCDBCHAQIXKJCG-UHFFFAOYSA-N 1 0 141.214 1.060 50 0 in-vitro ADAARO Cc1ccc(C[NH3+])o1 395597 342937492 /nfs/dbraw/zinc/93/74/92/342937492.db2.gz YSEAGSCGERFGBL-UHFFFAOYSA-N 1 0 111.144 1.047 50 0 in-vitro ADAARO C[C@H]([NH3+])CCCC(C)(C)O 402956 342938221 /nfs/dbraw/zinc/93/82/21/342938221.db2.gz LREQLEBVOXIEOM-ZETCQYMHSA-N 1 0 145.246 1.275 50 0 world ADAARO C[C@H]([NH3+])Cc1ccc2c(c1)OCO2 403033 342938252 /nfs/dbraw/zinc/93/82/52/342938252.db2.gz NGBBVGZWCFBOGO-ZETCQYMHSA-N 1 0 179.219 1.305 50 0 world ADAARO C[NH+](C)CC[C@H](O)c1ccccc1 399623 342938339 /nfs/dbraw/zinc/93/83/39/342938339.db2.gz VELGOYBSKBKQFF-NSHDSACASA-N 1 0 179.263 1.672 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc(O)cc1 403300 342938449 /nfs/dbraw/zinc/93/84/49/342938449.db2.gz CDQPLIAKRDYOCB-LURJTMIESA-N 1 0 137.182 1.412 50 0 in-vitro ADAARO Cc1ccc(C[NH+](C)C)o1 403435 342938631 /nfs/dbraw/zinc/93/86/31/342938631.db2.gz IYULRWBZWXMBGW-UHFFFAOYSA-N 1 0 139.198 1.650 50 0 in-vitro ADAARO CC1[N+](=O)C(C)(C)N(O)C1(C)C 408014 342939130 /nfs/dbraw/zinc/93/91/30/342939130.db2.gz ANKGMEQLPXFSPL-UHFFFAOYSA-N 1 0 172.228 1.177 50 0 ADAARO Cc1ccc[n+]2cccnc12 408851 342939134 /nfs/dbraw/zinc/93/91/34/342939134.db2.gz CKGFYHXILKBGAU-UHFFFAOYSA-N 1 0 145.185 1.129 50 0 ADAARO OCC1([NH+]2CCCC2)CCCCC1 407579 342939143 /nfs/dbraw/zinc/93/91/43/342939143.db2.gz CVCJKFLCUXJXPI-UHFFFAOYSA-N 1 0 183.295 1.777 50 0 ADAARO CC1(C)C[C@H](C[NH3+])C(C)(C)N1O 409214 342939202 /nfs/dbraw/zinc/93/92/02/342939202.db2.gz RDUJJOXVBWKTHI-SSDOTTSWSA-N 1 0 172.272 1.213 50 0 in-vitro ADAARO Cc1cc(C)[n+]2c(n1)SCC2 497141 342939981 /nfs/dbraw/zinc/93/99/81/342939981.db2.gz UDANAWSADUQJQS-UHFFFAOYSA-N 1 0 167.257 1.092 50 0 ADAARO CCc1cc(C)[nH+]c(C)c1O 500584 342940040 /nfs/dbraw/zinc/94/00/40/342940040.db2.gz LWILVFCDCXDHGS-UHFFFAOYSA-N 1 0 151.209 1.966 50 0 ADAARO Cc1nc2scn[n+]2c(C)c1C 496266 342940094 /nfs/dbraw/zinc/94/00/94/342940094.db2.gz AGGRRADDBKOPJL-UHFFFAOYSA-N 1 0 180.256 1.202 50 0 ADAARO CC(C)[NH2+]C[C@](C)(O)c1ccccc1 518325 342940328 /nfs/dbraw/zinc/94/03/28/342940328.db2.gz PTOQHMDUZFGLGH-LBPRGKRZSA-N 1 0 193.290 1.892 50 0 biogenic ADAARO CC[C@H](CO)[NH2+]Cc1sccc1C 512903 342940353 /nfs/dbraw/zinc/94/03/53/342940353.db2.gz WWSKFEIFENZNJV-SECBINFHSA-N 1 0 199.319 1.917 50 0 ADAARO C[N@@H+]1CCC[C@H]1c1ccc[nH]c1=O 518825 342940370 /nfs/dbraw/zinc/94/03/70/342940370.db2.gz HEPGBMFRBFJBBJ-VIFPVBQESA-N 1 0 178.235 1.142 50 0 ADAARO CN1C(=O)[C@@H](CC[NH3+])c2ccccc21 518288 342940381 /nfs/dbraw/zinc/94/03/81/342940381.db2.gz VATRUKMROZDIMO-VIFPVBQESA-N 1 0 190.246 1.095 50 0 biogenic ADAARO C[C@H]1CC(=O)[C@@H]2CCCC[C@@H]2[NH2+]1 517429 342940387 /nfs/dbraw/zinc/94/03/87/342940387.db2.gz SEAPKWHFVCCJBB-YIZRAAEISA-N 1 0 167.252 1.496 50 0 ADAARO CC[C@@H]([NH3+])c1nc2ccccc2[nH]1 529554 342940807 /nfs/dbraw/zinc/94/08/07/342940807.db2.gz MBEYZAPSDJKKFV-SSDOTTSWSA-N 1 0 175.235 1.973 50 0 in-vitro ADAARO C[N@@H+]1CCC[C@@H]1c1ccc[nH]c1=O 518827 342940831 /nfs/dbraw/zinc/94/08/31/342940831.db2.gz HEPGBMFRBFJBBJ-SECBINFHSA-N 1 0 178.235 1.142 50 0 ADAARO CC[C@H]([NH3+])c1nc2ccccc2[nH]1 529553 342940897 /nfs/dbraw/zinc/94/08/97/342940897.db2.gz MBEYZAPSDJKKFV-ZETCQYMHSA-N 1 0 175.235 1.973 50 0 in-vitro ADAARO Cc1[nH+]c2cc(N)ccc2n1C 577539 342941083 /nfs/dbraw/zinc/94/10/83/342941083.db2.gz KHIGSIBNOPKCOT-UHFFFAOYSA-N 1 0 161.208 1.464 50 0 ADAARO Cc1cccc(C)c1OC[C@H](O)C[NH3+] 792387 342941098 /nfs/dbraw/zinc/94/10/98/342941098.db2.gz FPMZNNDIIMFKDZ-SNVBAGLBSA-N 1 0 195.262 1.002 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cccnc1 801642 342941147 /nfs/dbraw/zinc/94/11/47/342941147.db2.gz IQVQNBXPYJGNEA-LURJTMIESA-N 1 0 122.171 1.101 50 0 in-vitro ADAARO CCc1[nH+]c2c(c(N)c1C)CCN2C 758848 342941163 /nfs/dbraw/zinc/94/11/63/342941163.db2.gz DOYBGFVLBLHQQX-UHFFFAOYSA-N 1 0 191.278 1.527 50 0 ADAARO C[C@H]([NH3+])c1ccncc1 801644 342941189 /nfs/dbraw/zinc/94/11/89/342941189.db2.gz HIZMJYQEHFJWQY-LURJTMIESA-N 1 0 122.171 1.101 50 0 in-vitro ADAARO Cc1ccc(C[NH2+]C[C@H]2CCCO2)o1 793402 342941212 /nfs/dbraw/zinc/94/12/12/342941212.db2.gz GFRLOYQDBHXKHZ-SNVBAGLBSA-N 1 0 195.262 1.857 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccccn1 801640 342941249 /nfs/dbraw/zinc/94/12/49/342941249.db2.gz PDNHLCRMUIGNBV-LURJTMIESA-N 1 0 122.171 1.101 50 0 in-vitro ADAARO CC(C)[NH2+]C[C@H]1CCCO1 801450 342941252 /nfs/dbraw/zinc/94/12/52/342941252.db2.gz PELLLKANMONICH-MRVPVSSYSA-N 1 0 143.230 1.163 50 0 ADAARO c1cc(C[NH2+]C2CC2)ccn1 795099 342941253 /nfs/dbraw/zinc/94/12/53/342941253.db2.gz FKVLLYTWAGEYSO-UHFFFAOYSA-N 1 0 148.209 1.334 50 0 in-vitro ADAARO Cc1cc(C)n([C@H](C)C[NH3+])n1 818985 342941518 /nfs/dbraw/zinc/94/15/18/342941518.db2.gz SZPITZCIPRYHOB-MRVPVSSYSA-N 1 0 153.229 1.020 50 0 in-vitro ADAARO CC[C@H](CO)[NH2+]Cc1ccccc1F 808294 342941675 /nfs/dbraw/zinc/94/16/75/342941675.db2.gz WDLIUSVZZOVBQW-SNVBAGLBSA-N 1 0 197.253 1.686 50 0 ADAARO c1cc(C2CC[NH2+]CC2)ccn1 882287 342941699 /nfs/dbraw/zinc/94/16/99/342941699.db2.gz RGBWBVGQZFJTEO-UHFFFAOYSA-N 1 0 162.236 1.549 50 0 ADAARO C[C@H]([NH3+])C1CCCCC1 901368 342942007 /nfs/dbraw/zinc/94/20/07/342942007.db2.gz XBWOPGDJMAJJDG-ZETCQYMHSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO [NH3+]CC1CCCCC1 901180 342942132 /nfs/dbraw/zinc/94/21/32/342942132.db2.gz AVKNGPAMCBSNSO-UHFFFAOYSA-N 1 0 113.204 1.525 50 0 in-vivo ADAARO Cc1cc[n+](C)c2ccccc12 967300 342942269 /nfs/dbraw/zinc/94/22/69/342942269.db2.gz OHQGKTJQWANGLW-UHFFFAOYSA-N 1 0 158.224 1.973 50 0 ADAARO Cc1ccccc1C[NH3+] 967194 342942328 /nfs/dbraw/zinc/94/23/28/342942328.db2.gz CJAAPVQEZPAQNI-UHFFFAOYSA-N 1 0 121.183 1.454 50 0 in-vitro ADAARO Cc1ccc[n+](C)c1C 967292 342942355 /nfs/dbraw/zinc/94/23/55/342942355.db2.gz JPTWYVYFCZMMGB-UHFFFAOYSA-N 1 0 122.191 1.128 50 0 ADAARO Cc1cccc(C)[n+]1C 967294 342942367 /nfs/dbraw/zinc/94/23/67/342942367.db2.gz ZINLZPLHQBBPEI-UHFFFAOYSA-N 1 0 122.191 1.128 50 0 ADAARO Cc1ccc(C)[n+](C)c1 967293 342942391 /nfs/dbraw/zinc/94/23/91/342942391.db2.gz CCXIUFAOVMDXFT-UHFFFAOYSA-N 1 0 122.191 1.128 50 0 ADAARO Cc1ccc2ccccc2[n+]1C 967299 342942448 /nfs/dbraw/zinc/94/24/48/342942448.db2.gz KEOLYURDXNRJEY-UHFFFAOYSA-N 1 0 158.224 1.973 50 0 ADAARO [NH3+]C1(c2ccccc2)CC1 967234 342942450 /nfs/dbraw/zinc/94/24/50/342942450.db2.gz OYRBDGKUVUVWRI-UHFFFAOYSA-N 1 0 133.194 1.634 50 0 in-vitro ADAARO C[C@H]([NH3+])Cc1cccc(O)c1 967941 342942457 /nfs/dbraw/zinc/94/24/57/342942457.db2.gz WTDGMHYYGNJEKQ-ZETCQYMHSA-N 1 0 151.209 1.282 50 0 in-man ADAARO CC1=C[C@H](O)N(c2ccc(C)cc2)[NH2+]1 1000062 342942669 /nfs/dbraw/zinc/94/26/69/342942669.db2.gz XKDIRIKFCMKAHX-NSHDSACASA-N 1 0 190.246 1.542 50 0 ADAARO Cc1ccc(C(N)=[NH2+])cc1Cl 1044762 342943201 /nfs/dbraw/zinc/94/32/01/342943201.db2.gz JTQBLCCOULSWKX-UHFFFAOYSA-N 1 0 168.627 1.932 50 0 ADAARO CC(C)[N@@H+]1CCC(=O)[C@@H](C)[C@H]1C 1076029 342943245 /nfs/dbraw/zinc/94/32/45/342943245.db2.gz MBUYANXUYMISOS-DTWKUNHWSA-N 1 0 169.268 1.694 50 0 ADAARO Cc1ccc2ccc[n+](C)c2c1 1056040 342943307 /nfs/dbraw/zinc/94/33/07/342943307.db2.gz QLHQEPBWTJOUDQ-UHFFFAOYSA-N 1 0 158.224 1.973 50 0 ADAARO CC[C@]1(O)C[C@H](C)[N@H+](C)C[C@@H]1C 1234750 342943656 /nfs/dbraw/zinc/94/36/56/342943656.db2.gz XEOCATJPKSQIPI-GUBZILKMSA-N 1 0 171.284 1.488 50 0 ADAARO c1ccc([C@@H]2CC[NH2+]C2)cc1 1237308 342943675 /nfs/dbraw/zinc/94/36/75/342943675.db2.gz PRRFFTYUBPGHLE-SNVBAGLBSA-N 1 0 147.221 1.764 50 0 in-vivo ADAARO Cc1[nH]c2c(N)cccc2[nH+]1 1235079 342943716 /nfs/dbraw/zinc/94/37/16/342943716.db2.gz USVXDODAPOBXCF-UHFFFAOYSA-N 1 0 147.181 1.454 50 0 ADAARO CC[n+]1ccccc1C 1297845 342943958 /nfs/dbraw/zinc/94/39/58/342943958.db2.gz FUZQTBHDJAOMJB-UHFFFAOYSA-N 1 0 122.191 1.302 50 0 ADAARO CN1C2=[NH+]CCCN2c2ccccc21 1246186 342944020 /nfs/dbraw/zinc/94/40/20/342944020.db2.gz SWAAKHGFQWFKJX-UHFFFAOYSA-N 1 0 187.246 1.703 50 0 ADAARO C[C@H]1CC(=O)C(C)(C)N(C)C1 1296064 342944077 /nfs/dbraw/zinc/94/40/77/342944077.db2.gz YRDHEJROWHVLPI-ZETCQYMHSA-N 1 0 155.241 1.306 50 0 ADAARO C[NH+](C)CC[C@H](O)c1cccnc1 1394467 342944499 /nfs/dbraw/zinc/94/44/99/342944499.db2.gz NRSTXKLBMAVOGO-JTQLQIEISA-N 1 0 180.251 1.067 50 0 ADAARO Cc1noc(C)c1C[NH+](C)C 1383214 342944616 /nfs/dbraw/zinc/94/46/16/342944616.db2.gz GRDBLQDGWPHISN-UHFFFAOYSA-N 1 0 154.213 1.353 50 0 ADAARO Cc1noc(C)c1C[NH+]1CCCC1 1383217 342944689 /nfs/dbraw/zinc/94/46/89/342944689.db2.gz MTJKERVZICSFRX-UHFFFAOYSA-N 1 0 180.251 1.887 50 0 ADAARO C[NH+](C)CC[C@@H](O)c1cccnc1 1394468 342944897 /nfs/dbraw/zinc/94/48/97/342944897.db2.gz NRSTXKLBMAVOGO-SNVBAGLBSA-N 1 0 180.251 1.067 50 0 ADAARO CN1CC=C([NH+]2CCCCC2)CC1 1401560 342944931 /nfs/dbraw/zinc/94/49/31/342944931.db2.gz ZFSGGBPGZCTWNU-UHFFFAOYSA-N 1 0 180.295 1.692 50 0 ADAARO Cc1ccc(CC(N)=[NH2+])cc1 1442833 342945222 /nfs/dbraw/zinc/94/52/22/342945222.db2.gz KWBSNZRNBKLLPP-UHFFFAOYSA-N 1 0 148.209 1.473 50 0 ADAARO Cc1ccc(C(N)=[NH2+])cc1C 1437801 342945259 /nfs/dbraw/zinc/94/52/59/342945259.db2.gz QQSRGYGYLVLMFU-UHFFFAOYSA-N 1 0 148.209 1.588 50 0 in-vitro ADAARO Cc1ccc(F)cc1C(N)=[NH2+] 1443055 342945321 /nfs/dbraw/zinc/94/53/21/342945321.db2.gz QQTHLHHSUAXNEA-UHFFFAOYSA-N 1 0 152.172 1.418 50 0 in-vitro ADAARO Cc1cc(C)c(N)c(C)[nH+]1 1421950 342945337 /nfs/dbraw/zinc/94/53/37/342945337.db2.gz MHUDSAALSISURX-UHFFFAOYSA-N 1 0 136.198 1.589 50 0 in-vitro ADAARO C[NH2+]C1CCCCC1 1486612 342945693 /nfs/dbraw/zinc/94/56/93/342945693.db2.gz XTUVJUMINZSXGF-UHFFFAOYSA-N 1 0 113.204 1.539 50 0 in-vitro ADAARO CC1(C)CC[C@H]([NH3+])C1 1483536 342945811 /nfs/dbraw/zinc/94/58/11/342945811.db2.gz LSRWLFSMCCKSJA-LURJTMIESA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO Cc1ccccc1C[C@@H](C)[NH3+] 1481889 342945835 /nfs/dbraw/zinc/94/58/35/342945835.db2.gz ZEMQBDFHXOOXLY-SECBINFHSA-N 1 0 149.237 1.885 50 0 in-man ADAARO C[NH2+]CC/C=C/c1cccnc1 1543478 342946570 /nfs/dbraw/zinc/94/65/70/342946570.db2.gz JUOSGGQXEBBCJB-GORDUTHDSA-N 1 0 162.236 1.704 50 0 investigational ADAARO Cc1ccc2c(c1)[C@@H](O)[C@H]([NH3+])CCO2 1560554 342947421 /nfs/dbraw/zinc/94/74/21/342947421.db2.gz ZGNVTNRACNXYEB-MWLCHTKSSA-N 1 0 193.246 1.138 50 0 ADAARO c1c[nH]c([C@@H]2CCC[NH2+]2)c1 1561745 342947467 /nfs/dbraw/zinc/94/74/67/342947467.db2.gz TUIFIQOPWFJFNK-QMMMGPOBSA-N 1 0 136.198 1.439 50 0 in-vitro ADAARO Cc1ccc2c(c1)[C@H](O)[C@@H]([NH3+])CCO2 1560555 342947477 /nfs/dbraw/zinc/94/74/77/342947477.db2.gz ZGNVTNRACNXYEB-ONGXEEELSA-N 1 0 193.246 1.138 50 0 ADAARO Cc1cccc(NC(N)=[NH2+])c1 1571103 342948174 /nfs/dbraw/zinc/94/81/74/342948174.db2.gz YDJVDZNVDRVRGF-UHFFFAOYSA-N 1 0 149.197 1.300 50 0 ADAARO CN(C(N)=[NH2+])c1ccccc1 1571101 342948179 /nfs/dbraw/zinc/94/81/79/342948179.db2.gz DSJVSLJDQPTJSK-UHFFFAOYSA-N 1 0 149.197 1.016 50 0 in-vitro ADAARO C[NH+](C)CCc1ccccc1 1577051 342948563 /nfs/dbraw/zinc/94/85/63/342948563.db2.gz TXOFSCODFRHERQ-UHFFFAOYSA-N 1 0 149.237 1.791 50 0 in-vitro ADAARO C[NH+]1C(C)(C)CC(O)CC1(C)C 1585563 342949205 /nfs/dbraw/zinc/94/92/05/342949205.db2.gz NWHNXXMYEICZAT-UHFFFAOYSA-N 1 0 171.284 1.630 50 0 in-vitro ADAARO CCC(C)(C)[NH3+] 1587801 342949432 /nfs/dbraw/zinc/94/94/32/342949432.db2.gz GELMWIVBBPAMIO-UHFFFAOYSA-N 1 0 87.166 1.134 50 0 in-vitro ADAARO CC[C@H](C)C[C@@H](C)[NH3+] 1587852 342949434 /nfs/dbraw/zinc/94/94/34/342949434.db2.gz YAHRDLICUYEDAU-NKWVEPMBSA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO CCCCC[NH3+] 1586308 342949512 /nfs/dbraw/zinc/94/95/12/342949512.db2.gz DPBLXKKOBLCELK-UHFFFAOYSA-N 1 0 87.166 1.135 50 0 in-vivo ADAARO CCCCC[C@@H](C)[NH3+] 1587831 342949539 /nfs/dbraw/zinc/94/95/39/342949539.db2.gz VSRBKQFNFZQRBM-SSDOTTSWSA-N 1 0 115.220 1.914 50 0 in-man ADAARO CC[C@H](C)C[C@H](C)[NH3+] 1587854 342949727 /nfs/dbraw/zinc/94/97/27/342949727.db2.gz YAHRDLICUYEDAU-BQBZGAKWSA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO Cc1ccc(C[NH2+]CCO)cc1 1592721 342949904 /nfs/dbraw/zinc/94/99/04/342949904.db2.gz UJPXOHXMJDQRLY-UHFFFAOYSA-N 1 0 165.236 1.077 50 0 in-vitro ADAARO Cc1cc(C)[n+](C)c(C)c1 1597043 342950283 /nfs/dbraw/zinc/95/02/83/342950283.db2.gz VYAXQANIOQMUHV-UHFFFAOYSA-N 1 0 136.218 1.436 50 0 ADAARO CC[C@H]1[NH2+]CCCS1 1596464 342950350 /nfs/dbraw/zinc/95/03/50/342950350.db2.gz XFIWUWZNARIGCG-LURJTMIESA-N 1 0 131.244 1.449 50 0 ADAARO CCCCSC1=[NH+]CCN1 1598773 342950749 /nfs/dbraw/zinc/95/07/49/342950749.db2.gz IECYSNCSCGTHHH-UHFFFAOYSA-N 1 0 158.270 1.479 50 0 ADAARO C[C@H]1CCC[C@H]1[NH3+] 1602492 342951214 /nfs/dbraw/zinc/95/12/14/342951214.db2.gz TYDMZADCGUWTCH-NTSWFWBYSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO C[C@H]([NH3+])Cc1ccc(F)cc1 1604331 342951538 /nfs/dbraw/zinc/95/15/38/342951538.db2.gz DGXWNDGLEOIEGT-ZETCQYMHSA-N 1 0 153.200 1.715 50 0 in-vitro ADAARO CCc1ccc(CC[NH3+])cc1 1604286 342951717 /nfs/dbraw/zinc/95/17/17/342951717.db2.gz XLJAVPNHXCHBPU-UHFFFAOYSA-N 1 0 149.237 1.750 50 0 in-vitro ADAARO C[NH2+]CC1CCCC1 1609656 342951838 /nfs/dbraw/zinc/95/18/38/342951838.db2.gz XLXBMMXDVLSNGN-UHFFFAOYSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO C[NH+](C)C1CCC2(CC1)OCCO2 1617518 342952231 /nfs/dbraw/zinc/95/22/31/342952231.db2.gz KJFJEQJSOHNDEA-UHFFFAOYSA-N 1 0 185.267 1.234 50 0 ADAARO CC[C@@H]([NH3+])[C@@H](O)c1ccccc1 1614515 342952292 /nfs/dbraw/zinc/95/22/92/342952292.db2.gz UOZNVPFVNBRISY-ZJUUUORDSA-N 1 0 165.236 1.457 50 0 in-vitro ADAARO CC[C@H]([NH3+])[C@H](O)c1ccccc1 1614512 342952347 /nfs/dbraw/zinc/95/23/47/342952347.db2.gz UOZNVPFVNBRISY-VHSXEESVSA-N 1 0 165.236 1.457 50 0 in-vitro ADAARO CC[C@@H]([NH3+])[C@H](O)c1ccccc1 1614513 342952407 /nfs/dbraw/zinc/95/24/07/342952407.db2.gz UOZNVPFVNBRISY-NXEZZACHSA-N 1 0 165.236 1.457 50 0 in-vitro ADAARO CCCC1CC[NH2+]CC1 1614479 342952443 /nfs/dbraw/zinc/95/24/43/342952443.db2.gz RQGBFVLTFYRYKB-UHFFFAOYSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO Cc1ccc(N)[nH+]c1C 1621612 342952595 /nfs/dbraw/zinc/95/25/95/342952595.db2.gz UZAOIPZZPZCFES-UHFFFAOYSA-N 1 0 122.171 1.281 50 0 in-vitro ADAARO CCCC[C@H]([NH3+])C(C)=O 1621967 342952621 /nfs/dbraw/zinc/95/26/21/342952621.db2.gz WVUZKKYXJLYJEC-ZETCQYMHSA-N 1 0 129.203 1.093 50 0 ADAARO Cc1cccc(CC[NH3+])c1 1628281 342952946 /nfs/dbraw/zinc/95/29/46/342952946.db2.gz GUERDLPJJJMIEU-UHFFFAOYSA-N 1 0 135.210 1.496 50 0 in-vitro ADAARO Cc1ccc(CC[NH3+])cc1C 1628280 342952950 /nfs/dbraw/zinc/95/29/50/342952950.db2.gz IQXUVSNUSQIQCJ-UHFFFAOYSA-N 1 0 149.237 1.805 50 0 in-vitro ADAARO Cc1ccc(C[C@H](C)[NH3+])cc1 1634310 342953490 /nfs/dbraw/zinc/95/34/90/342953490.db2.gz ZDHZDWSHLNBTEB-VIFPVBQESA-N 1 0 149.237 1.885 50 0 in-vitro ADAARO C[NH+](C)CC(C)(C)C 1637892 342953531 /nfs/dbraw/zinc/95/35/31/342953531.db2.gz FUIRUFXAVIHAQB-UHFFFAOYSA-N 1 0 115.220 1.594 50 0 ADAARO C[NH+](C)C1CCCCC1 1640007 342953691 /nfs/dbraw/zinc/95/36/91/342953691.db2.gz SVYKKECYCPFKGB-UHFFFAOYSA-N 1 0 127.231 1.881 50 0 in-vitro ADAARO CC(C)N1C=[N+](C(C)C)CC1 1639391 342953880 /nfs/dbraw/zinc/95/38/80/342953880.db2.gz LFTUFSYRRKKIHV-UHFFFAOYSA-N 1 0 155.265 1.160 50 0 in-vitro ADAARO CCCCCSC(N)=[NH2+] 1641410 342953908 /nfs/dbraw/zinc/95/39/08/342953908.db2.gz HJLINEXLRZJOQU-UHFFFAOYSA-N 1 0 146.259 1.803 50 0 ADAARO C[NH2+]CCOc1ccc(Cl)cc1 1648975 342954148 /nfs/dbraw/zinc/95/41/48/342954148.db2.gz RGLUIFRWIKUDEI-UHFFFAOYSA-N 1 0 185.654 1.938 50 0 ADAARO CC(C)[NH+](CCCO)C(C)C 1648962 342954234 /nfs/dbraw/zinc/95/42/34/342954234.db2.gz OWPYHAWCSDPFTR-UHFFFAOYSA-N 1 0 159.273 1.488 50 0 ADAARO C[NH+](C)/C=C/c1ccncc1 1652342 342954336 /nfs/dbraw/zinc/95/43/36/342954336.db2.gz OWVFJYJLBSWYII-VMPITWQZSA-N 1 0 148.209 1.614 50 0 ADAARO CN(Cc1ccccc1)C(N)=[NH2+] 1652060 342954345 /nfs/dbraw/zinc/95/43/45/342954345.db2.gz HRUWBAUPQXBXBY-UHFFFAOYSA-N 1 0 163.224 1.012 50 0 in-vitro ADAARO CCCC(C)(C)[NH3+] 1654135 342954374 /nfs/dbraw/zinc/95/43/74/342954374.db2.gz KPNJYXKRHWAPHP-UHFFFAOYSA-N 1 0 101.193 1.524 50 0 in-vitro ADAARO CCC[NH+](CCC)CCO 1649000 342954500 /nfs/dbraw/zinc/95/45/00/342954500.db2.gz SWKPGMVENNYLFK-UHFFFAOYSA-N 1 0 145.246 1.101 50 0 in-vitro ADAARO C[N@@H+]1CCNc2ccccc2C1 1657843 342954728 /nfs/dbraw/zinc/95/47/28/342954728.db2.gz OWSHLTNJBYOWGQ-UHFFFAOYSA-N 1 0 162.236 1.544 50 0 in-vitro ADAARO CC[C@](O)(C[NH3+])c1ccccc1 1661091 342954828 /nfs/dbraw/zinc/95/48/28/342954828.db2.gz ULFJMPCWXPSJQL-JTQLQIEISA-N 1 0 165.236 1.243 50 0 ADAARO Cc1ccc(CC[NH3+])cc1 1656334 342954862 /nfs/dbraw/zinc/95/48/62/342954862.db2.gz VKJXAQYPOTYDLO-UHFFFAOYSA-N 1 0 135.210 1.496 50 0 in-vitro ADAARO CCC(CC)COCCC[NH3+] 1655701 342954866 /nfs/dbraw/zinc/95/48/66/342954866.db2.gz YIQYTTIFXNHAGV-UHFFFAOYSA-N 1 0 159.273 1.788 50 0 ADAARO C[C@H]1C[NH2+]C[C@H](c2ccccc2)O1 1656381 342954877 /nfs/dbraw/zinc/95/48/77/342954877.db2.gz OEIVXYYFUJADLC-GXSJLCMTSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO CC1CCC([NH3+])CC1 1664886 342955170 /nfs/dbraw/zinc/95/51/70/342955170.db2.gz KSMVBYPXNKCPAJ-UHFFFAOYSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO C[NH+](C)CCOCc1ccccc1 1666115 342955600 /nfs/dbraw/zinc/95/56/00/342955600.db2.gz VHZGUBBMYIIPAD-UHFFFAOYSA-N 1 0 179.263 1.765 50 0 ADAARO C[n+]1ccnc2ccccc21 1667092 342955685 /nfs/dbraw/zinc/95/56/85/342955685.db2.gz ZBFXULMODPLXMK-UHFFFAOYSA-N 1 0 145.185 1.059 50 0 ADAARO C[NH+](C)CCOc1ccccc1C[NH3+] 1670261 342955931 /nfs/dbraw/zinc/95/59/31/342955931.db2.gz NOZRJUDRDVKQDW-UHFFFAOYSA-N 1 0 194.278 1.086 50 0 in-vitro ADAARO CN(C)c1ccc(O)cc1 1669690 342956051 /nfs/dbraw/zinc/95/60/51/342956051.db2.gz JVVRCYWZTJLJSG-UHFFFAOYSA-N 1 0 137.182 1.458 50 0 in-man ADAARO C[C@H]1CCC[NH2+][C@@H]1C 1672868 342956469 /nfs/dbraw/zinc/95/64/69/342956469.db2.gz DRLFSUDDXLQHJT-NKWVEPMBSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[C@H]1CCC[NH2+][C@H]1C 1672866 342956506 /nfs/dbraw/zinc/95/65/06/342956506.db2.gz DRLFSUDDXLQHJT-BQBZGAKWSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CCCC[NH2+]C 1672634 342956533 /nfs/dbraw/zinc/95/65/33/342956533.db2.gz QCOGKXLOEWLIDC-UHFFFAOYSA-N 1 0 87.166 1.006 50 0 in-vitro ADAARO C[NH+](C)CCC(=O)Cc1ccccc1 1671177 342956537 /nfs/dbraw/zinc/95/65/37/342956537.db2.gz MECMWFXKIGOLKV-UHFFFAOYSA-N 1 0 191.274 1.750 50 0 ADAARO CCC[NH2+]CCC 1672989 342956798 /nfs/dbraw/zinc/95/67/98/342956798.db2.gz WEHWNAOGRSTTBQ-UHFFFAOYSA-N 1 0 101.193 1.396 50 0 in-vitro ADAARO COc1ccccc1C[NH2+]CCCO 1674398 342956933 /nfs/dbraw/zinc/95/69/33/342956933.db2.gz WTAVVEWYSBIMAF-UHFFFAOYSA-N 1 0 195.262 1.167 50 0 ADAARO C[NH+](C)Cc1ccccc1 1680865 342957586 /nfs/dbraw/zinc/95/75/86/342957586.db2.gz XXBDWLFCJWSEKW-UHFFFAOYSA-N 1 0 135.210 1.748 50 0 in-vitro ADAARO C[NH+]1C(C)(C)CC(=O)CC1(C)C 1681674 342957865 /nfs/dbraw/zinc/95/78/65/342957865.db2.gz GHJUORCGZFHNKG-UHFFFAOYSA-N 1 0 169.268 1.838 50 0 in-vitro ADAARO C[C@H]1CC[C@H](C)[NH2+]1 1681222 342958023 /nfs/dbraw/zinc/95/80/23/342958023.db2.gz ZEBFPAXSQXIPNF-WDSKDSINSA-N 1 0 99.177 1.147 50 0 in-vitro ADAARO Cc1c2ccccc2cc[n+]1C 1685107 342958437 /nfs/dbraw/zinc/95/84/37/342958437.db2.gz AJUWFPYSMJNTEP-UHFFFAOYSA-N 1 0 158.224 1.973 50 0 in-vitro ADAARO C[NH2+]CCCc1ccccc1 1684599 342958457 /nfs/dbraw/zinc/95/84/57/342958457.db2.gz MLHBZVFOTDJTPK-UHFFFAOYSA-N 1 0 149.237 1.839 50 0 in-vitro ADAARO CC(C)[NH2+]CCCCCO 1685545 342958478 /nfs/dbraw/zinc/95/84/78/342958478.db2.gz UEXRIBOEINFZJS-UHFFFAOYSA-N 1 0 145.246 1.147 50 0 in-vitro ADAARO Cc1ccc(CC[NH3+])c(C)c1 1688220 342958636 /nfs/dbraw/zinc/95/86/36/342958636.db2.gz VQGZTRKXOUWMAC-UHFFFAOYSA-N 1 0 149.237 1.805 50 0 in-vitro ADAARO Cc1ccc(C)c(CC[NH3+])c1 1688167 342958719 /nfs/dbraw/zinc/95/87/19/342958719.db2.gz RNEFNTMBBIKOFO-UHFFFAOYSA-N 1 0 149.237 1.805 50 0 in-vitro ADAARO C[C@H]([NH3+])Cc1ccc(O)cc1 1690604 342958954 /nfs/dbraw/zinc/95/89/54/342958954.db2.gz GIKNHHRFLCDOEU-ZETCQYMHSA-N 1 0 151.209 1.282 50 0 fda ADAARO C[NH+]1Cc2ccccc2C1 1691043 342959049 /nfs/dbraw/zinc/95/90/49/342959049.db2.gz AXIIEOPSQHRYCU-UHFFFAOYSA-N 1 0 133.194 1.632 50 0 ADAARO CC1CC[NH2+]CC1 1693923 342959268 /nfs/dbraw/zinc/95/92/68/342959268.db2.gz UZOFELREXGAFOI-UHFFFAOYSA-N 1 0 99.177 1.006 50 0 ADAARO C[C@H]1C[NH2+]C(C)(C)C1 1691716 342959281 /nfs/dbraw/zinc/95/92/81/342959281.db2.gz AJMDMNYTTSGFEL-ZCFIWIBFSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[C@H]1CCC[NH2+]C1 1693922 342959296 /nfs/dbraw/zinc/95/92/96/342959296.db2.gz JEGMWWXJUXDNJN-LURJTMIESA-N 1 0 99.177 1.006 50 0 in-vitro ADAARO CCCC[NH+](CCO)CCCC 1693405 342959393 /nfs/dbraw/zinc/95/93/93/342959393.db2.gz IWSZDQRGNFLMJS-UHFFFAOYSA-N 1 0 173.300 1.881 50 0 ADAARO CC[C@@H]([NH3+])Cc1ccc2c(c1)OCO2 1692964 342959405 /nfs/dbraw/zinc/95/94/05/342959405.db2.gz VHMRXGAIDDCGDU-SECBINFHSA-N 1 0 193.246 1.695 50 0 in-vitro ADAARO CC[C@H]1[C@H](C)[NH2+]C[C@@H]1C 1695048 342959678 /nfs/dbraw/zinc/95/96/78/342959678.db2.gz GTDYINNWQOHUAH-BIIVOSGPSA-N 1 0 127.231 1.640 50 0 ADAARO CC1(C)CC[NH2+]CC1 1698151 342959898 /nfs/dbraw/zinc/95/98/98/342959898.db2.gz IECMOFZIMWVOAS-UHFFFAOYSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO CC(C)[NH+](CCCCO)C(C)C 1700379 342960253 /nfs/dbraw/zinc/96/02/53/342960253.db2.gz UAACPUXQSNTFKD-UHFFFAOYSA-N 1 0 173.300 1.878 50 0 in-vitro ADAARO C[C@H]([NH3+])CCc1ccccc1 1705109 342960657 /nfs/dbraw/zinc/96/06/57/342960657.db2.gz WECUIGDEWBNQJJ-VIFPVBQESA-N 1 0 149.237 1.966 50 0 in-vitro ADAARO C[NH+](C)Cc1c[nH]c2ncccc12 1702303 342960670 /nfs/dbraw/zinc/96/06/70/342960670.db2.gz RFLCFQLBXWLHKX-UHFFFAOYSA-N 1 0 175.235 1.625 50 0 in-vitro ADAARO CCCCCC[C@@H](C)[NH2+]CCO 1703433 342960701 /nfs/dbraw/zinc/96/07/01/342960701.db2.gz FTBVOJZWVWWLFB-SNVBAGLBSA-N 1 0 173.300 1.927 50 0 ADAARO CC1(C)C[N+](=O)C(C)(C)C1 1713909 342961307 /nfs/dbraw/zinc/96/13/07/342961307.db2.gz GUQARRULARNYQZ-UHFFFAOYSA-N 1 0 141.214 1.776 50 0 ADAARO C[NH2+]C1CCCCCC1 1713244 342961393 /nfs/dbraw/zinc/96/13/93/342961393.db2.gz LRXSDHDEISIWQB-UHFFFAOYSA-N 1 0 127.231 1.929 50 0 in-vitro ADAARO CCCCSCC[NH3+] 1716308 342961505 /nfs/dbraw/zinc/96/15/05/342961505.db2.gz PQKHJKIUTWBNGR-UHFFFAOYSA-N 1 0 133.260 1.478 50 0 ADAARO CC[C@@H](CO)[NH2+]C1CCCCC1 1716862 342961621 /nfs/dbraw/zinc/96/16/21/342961621.db2.gz DRHQUYUVJFKDBU-VIFPVBQESA-N 1 0 171.284 1.680 50 0 ADAARO C[NH+](C)Cc1ccccc1CO 1716129 342961656 /nfs/dbraw/zinc/96/16/56/342961656.db2.gz KCSZGCNCOFOSQD-UHFFFAOYSA-N 1 0 165.236 1.241 50 0 in-vitro ADAARO CC[C@@H](CO)[NH2+]C1CCCC1 1717259 342961818 /nfs/dbraw/zinc/96/18/18/342961818.db2.gz QDNKXEFITLGCNF-QMMMGPOBSA-N 1 0 157.257 1.290 50 0 ADAARO C[NH+](C)CCc1ccncc1 1717670 342962030 /nfs/dbraw/zinc/96/20/30/342962030.db2.gz YVXKZGLIZHUYBK-UHFFFAOYSA-N 1 0 150.225 1.186 50 0 ADAARO C[NH2+]C1(c2ccccc2)CC1 1720723 342962057 /nfs/dbraw/zinc/96/20/57/342962057.db2.gz VQBPLSIDVQEIRR-UHFFFAOYSA-N 1 0 147.221 1.895 50 0 ADAARO CCCCOC(=O)C[C@H]1CCC[N@@H+]1C 1726421 342962627 /nfs/dbraw/zinc/96/26/27/342962627.db2.gz DDOKJYBDDYKGIL-SNVBAGLBSA-N 1 0 199.294 1.814 50 0 ADAARO Cc1ccc(C2(O)CC[NH2+]CC2)cc1 1730663 342963081 /nfs/dbraw/zinc/96/30/81/342963081.db2.gz MEFDFYOJQUOHCR-UHFFFAOYSA-N 1 0 191.274 1.566 50 0 in-vitro ADAARO C[NH+](C)Cc1cccc(N)c1 1743175 342963444 /nfs/dbraw/zinc/96/34/44/342963444.db2.gz WOJBIBHVUSZAGS-UHFFFAOYSA-N 1 0 150.225 1.330 50 0 in-vitro ADAARO CC1(C)CC(=O)CC(C)(C)[NH2+]1 1747064 342963559 /nfs/dbraw/zinc/96/35/59/342963559.db2.gz JWUXJYZVKZKLTJ-UHFFFAOYSA-N 1 0 155.241 1.496 50 0 endogenous,in-man ADAARO CC[C@H]1CCCC[NH2+]1 1748864 342963716 /nfs/dbraw/zinc/96/37/16/342963716.db2.gz QBBKKFZGCDJDQK-ZETCQYMHSA-N 1 0 113.204 1.539 50 0 in-vitro ADAARO C[NH2+]C(C)(C)C 1757024 342963782 /nfs/dbraw/zinc/96/37/82/342963782.db2.gz ZQGJEUVBUVKZKS-UHFFFAOYSA-N 1 0 87.166 1.004 50 0 ADAARO CCCC[NH+]1CCCC1 1845714 342964677 /nfs/dbraw/zinc/96/46/77/342964677.db2.gz JSHASCFKOSDFHY-UHFFFAOYSA-N 1 0 127.231 1.882 50 0 in-vitro ADAARO Cc1ccc(C[NH3+])cc1C 1847909 342964705 /nfs/dbraw/zinc/96/47/05/342964705.db2.gz PXNRCZQMDSDSHJ-UHFFFAOYSA-N 1 0 135.210 1.762 50 0 in-vitro ADAARO Cc1ccc(C[NH3+])c(C)c1 1848473 342964832 /nfs/dbraw/zinc/96/48/32/342964832.db2.gz GBSUVYGVEQDZPG-UHFFFAOYSA-N 1 0 135.210 1.762 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@](C)(O)c1ccccc1 1847099 342964906 /nfs/dbraw/zinc/96/49/06/342964906.db2.gz XWXGOKGZVMEGGA-WCBMZHEXSA-N 1 0 165.236 1.241 50 0 ADAARO Cc1cc2cc(C[NH3+])ccc2n1C 1859274 342965094 /nfs/dbraw/zinc/96/50/94/342965094.db2.gz RBJKUVYKEPJFDP-UHFFFAOYSA-N 1 0 174.247 1.945 50 0 ADAARO CC1(C)CCC([NH3+])CC1 1870724 342965372 /nfs/dbraw/zinc/96/53/72/342965372.db2.gz CAUXQOLTFGCRKD-UHFFFAOYSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO C[C@H]([NH2+]CCCO)c1cccnc1 1877069 342965396 /nfs/dbraw/zinc/96/53/96/342965396.db2.gz IYOKAVFRPPOWHT-VIFPVBQESA-N 1 0 180.251 1.115 50 0 ADAARO Cc1cc(C)cc(OCC[NH3+])c1 1871360 342965553 /nfs/dbraw/zinc/96/55/53/342965553.db2.gz ZNNZYMKIVDOTPM-UHFFFAOYSA-N 1 0 165.236 1.641 50 0 in-vitro ADAARO CC[C@H]([NH2+]C)[C@@H](O)c1ccccc1 1998662 342965888 /nfs/dbraw/zinc/96/58/88/342965888.db2.gz ROPFLNLFWBUBCT-QWRGUYRKSA-N 1 0 179.263 1.718 50 0 in-vitro ADAARO CC[C@@H]([NH2+]C)[C@H](O)c1ccccc1 1998661 342965955 /nfs/dbraw/zinc/96/59/55/342965955.db2.gz ROPFLNLFWBUBCT-GHMZBOCLSA-N 1 0 179.263 1.718 50 0 in-vitro ADAARO CC[C@H]([NH2+]C)[C@H](O)c1ccccc1 1998660 342965957 /nfs/dbraw/zinc/96/59/57/342965957.db2.gz ROPFLNLFWBUBCT-WDEREUQCSA-N 1 0 179.263 1.718 50 0 in-vitro ADAARO C[N@@H+]1CCc2ccccc2C1 1999670 342965995 /nfs/dbraw/zinc/96/59/95/342965995.db2.gz KYXSVGVQGFPNRQ-UHFFFAOYSA-N 1 0 147.221 1.675 50 0 in-vitro ADAARO Cc1ccc([C@@H](O)[C@@H](C)[NH3+])cc1 2009382 342966141 /nfs/dbraw/zinc/96/61/41/342966141.db2.gz HYFSOKGGCDALKV-SCZZXKLOSA-N 1 0 165.236 1.376 50 0 in-vitro ADAARO CCCC[C@@H]([NH3+])CC 2012019 342966537 /nfs/dbraw/zinc/96/65/37/342966537.db2.gz SRMHHEPXZLWKOK-ZETCQYMHSA-N 1 0 115.220 1.914 50 0 ADAARO C[C@H]1CC(C)(C)C2=[NH+]CCN21 2027839 342967526 /nfs/dbraw/zinc/96/75/26/342967526.db2.gz HDRZUJTYEQAVHK-ZETCQYMHSA-N 1 0 152.241 1.519 50 0 ADAARO CCC1(c2ccccc2)C[NH2+]C1 2029457 342967602 /nfs/dbraw/zinc/96/76/02/342967602.db2.gz BGAVUZCQVCIEHP-UHFFFAOYSA-N 1 0 161.248 1.938 50 0 in-vitro ADAARO CCC(CC)C[NH3+] 2034377 342967793 /nfs/dbraw/zinc/96/77/93/342967793.db2.gz MGWAGIQQTULHGU-UHFFFAOYSA-N 1 0 101.193 1.381 50 0 in-vitro ADAARO CC[C@@H]1[NH2+]CCCS1 2036365 342968235 /nfs/dbraw/zinc/96/82/35/342968235.db2.gz XFIWUWZNARIGCG-ZCFIWIBFSA-N 1 0 131.244 1.449 50 0 ADAARO CCCC[NH2+]CCCCO 2037742 342968352 /nfs/dbraw/zinc/96/83/52/342968352.db2.gz OPUJAKVDYGQVHP-UHFFFAOYSA-N 1 0 145.246 1.149 50 0 in-vitro ADAARO CCCC[C@H](C)[NH3+] 2037298 342968375 /nfs/dbraw/zinc/96/83/75/342968375.db2.gz WGBBUURBHXLGFM-LURJTMIESA-N 1 0 101.193 1.524 50 0 ADAARO C[C@H]([NH2+]CCO)c1ccccc1 2039618 342968622 /nfs/dbraw/zinc/96/86/22/342968622.db2.gz GXIWMXAAPLZOBY-VIFPVBQESA-N 1 0 165.236 1.330 50 0 in-vitro ADAARO CCCC[NH+](C)C 2040173 342968710 /nfs/dbraw/zinc/96/87/10/342968710.db2.gz DJEQZVQFEPKLOY-UHFFFAOYSA-N 1 0 101.193 1.348 50 0 in-vitro ADAARO C[C@H]([NH3+])CC1CCCC1 2041129 342968925 /nfs/dbraw/zinc/96/89/25/342968925.db2.gz JEJKKTYNUKTPTJ-ZETCQYMHSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO CC(C)[NH2+]C[C@@H]1CCCCO1 2045364 342969206 /nfs/dbraw/zinc/96/92/06/342969206.db2.gz PFDXIMASHCKFLM-VIFPVBQESA-N 1 0 157.257 1.554 50 0 in-vitro ADAARO C[C@H]1[NH2+]CCn2cccc21 2495725 342972594 /nfs/dbraw/zinc/97/25/94/342972594.db2.gz JPXCPEMQVOKKFV-SSDOTTSWSA-N 1 0 136.198 1.152 50 0 in-vitro ADAARO CCCCOC(=O)C[C@@H]1CCC[N@@H+]1C 2160017 342969995 /nfs/dbraw/zinc/96/99/95/342969995.db2.gz DDOKJYBDDYKGIL-JTQLQIEISA-N 1 0 199.294 1.814 50 0 ADAARO CCC([NH3+])(CC)CC 2047252 342969772 /nfs/dbraw/zinc/96/97/72/342969772.db2.gz JLEIRAYWBMNMKU-UHFFFAOYSA-N 1 0 115.220 1.914 50 0 in-vitro ADAARO CCC[NH+](CCC)C[C@@H](C)O 2164117 342970086 /nfs/dbraw/zinc/97/00/86/342970086.db2.gz LAOZQNBBEXGXBN-SECBINFHSA-N 1 0 159.273 1.489 50 0 in-vitro ADAARO CCCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 2160108 342970111 /nfs/dbraw/zinc/97/01/11/342970111.db2.gz VMYWLIVDQSXFQA-SNVBAGLBSA-N 1 0 198.310 1.374 50 0 ADAARO CCCCC[NH+]1CCC(C(N)=O)CC1 2160106 342970136 /nfs/dbraw/zinc/97/01/36/342970136.db2.gz NXCOFHJBIIKZQQ-UHFFFAOYSA-N 1 0 198.310 1.374 50 0 ADAARO CCCCC[N@@H+]1CCC[C@H](C(N)=O)C1 2160114 342970204 /nfs/dbraw/zinc/97/02/04/342970204.db2.gz VMYWLIVDQSXFQA-JTQLQIEISA-N 1 0 198.310 1.374 50 0 ADAARO C[C@H]([NH3+])C(C)(C)C 2166834 342970452 /nfs/dbraw/zinc/97/04/52/342970452.db2.gz DXSUORGKJZADET-YFKPBYRVSA-N 1 0 101.193 1.380 50 0 in-vitro ADAARO CCCC[NH+]1CCC(=O)CC1 2164545 342970501 /nfs/dbraw/zinc/97/05/01/342970501.db2.gz OCNWYKFGWLGNHZ-UHFFFAOYSA-N 1 0 155.241 1.451 50 0 in-vitro ADAARO CCC[NH+](CCC)C[C@@H](O)CC 2171092 342970785 /nfs/dbraw/zinc/97/07/85/342970785.db2.gz SVAFAARLUVWPAQ-JTQLQIEISA-N 1 0 173.300 1.879 50 0 ADAARO CCCCn1ccc(=[NH2+])cc1 2193392 342970913 /nfs/dbraw/zinc/97/09/13/342970913.db2.gz DXVOEFOMGMELCV-UHFFFAOYSA-N 1 0 150.225 1.768 50 0 ADAARO C[C@H]1CCC[C@H]([NH3+])C1 2242651 342970936 /nfs/dbraw/zinc/97/09/36/342970936.db2.gz JYDYHSHPBDZRPU-BQBZGAKWSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO C[NH+](C)Cc1ccccc1N 2243616 342971163 /nfs/dbraw/zinc/97/11/63/342971163.db2.gz XQWHZHODENELCJ-UHFFFAOYSA-N 1 0 150.225 1.330 50 0 in-vitro ADAARO C[NH+](C)CCCNCc1ccccn1 2333622 342971523 /nfs/dbraw/zinc/97/15/23/342971523.db2.gz PHNGOQUFEMIIAA-UHFFFAOYSA-N 1 0 193.294 1.123 50 0 in-vitro ADAARO CCC(C)(C)OCC[NH3+] 20508819 343073990 /nfs/dbraw/zinc/07/39/90/343073990.db2.gz RPGRNUCCGKZAMC-UHFFFAOYSA-N 1 0 131.219 1.150 50 0 ADAARO C[N@@H+]1CC[C@H](C(=O)c2cccnc2)C1 2387191 342971969 /nfs/dbraw/zinc/97/19/69/342971969.db2.gz ARYQLVJXQFGHLA-JTQLQIEISA-N 1 0 190.246 1.216 50 0 in-vitro ADAARO CC(C)[NH2+]C(C)(C)C 2384729 342972013 /nfs/dbraw/zinc/97/20/13/342972013.db2.gz ZWXQPERWRDHCMZ-UHFFFAOYSA-N 1 0 115.220 1.783 50 0 in-vitro ADAARO Cc1cc2ccccc2n1CC[NH3+] 2455201 342972204 /nfs/dbraw/zinc/97/22/04/342972204.db2.gz PZTWBKQLMZMJDN-UHFFFAOYSA-N 1 0 174.247 1.908 50 0 in-vitro ADAARO Cc1cc(C)cc(C[NH3+])c1 2389989 342972221 /nfs/dbraw/zinc/97/22/21/342972221.db2.gz DZBHNPJZCQWUCG-UHFFFAOYSA-N 1 0 135.210 1.762 50 0 in-vitro ADAARO C[C@H]([NH2+]CCCO)c1ccccn1 2396124 342972339 /nfs/dbraw/zinc/97/23/39/342972339.db2.gz VTPSDNLWUCEVFT-VIFPVBQESA-N 1 0 180.251 1.115 50 0 in-vitro ADAARO CCCCC[NH2+]C 2390167 342972352 /nfs/dbraw/zinc/97/23/52/342972352.db2.gz UOIWOHLIGKIYFE-UHFFFAOYSA-N 1 0 101.193 1.396 50 0 in-vitro ADAARO Cc1ccc(OCC[NH3+])cc1C 2390387 342972375 /nfs/dbraw/zinc/97/23/75/342972375.db2.gz ABZJNEBQBOTWLB-UHFFFAOYSA-N 1 0 165.236 1.641 50 0 in-vitro ADAARO CC[C@H](C)[C@H]([NH3+])C(=O)OC(C)(C)C 2390966 342972399 /nfs/dbraw/zinc/97/23/99/342972399.db2.gz DRWKBZREIMLHDX-YUMQZZPRSA-N 1 0 187.283 1.702 50 0 ADAARO C/C=C(\C)C[N@@H+]1CCC[C@@H](C(N)=O)C1 2498090 342972547 /nfs/dbraw/zinc/97/25/47/342972547.db2.gz VMOYOJPOPJQSJM-OTVCUZDGSA-N 1 0 196.294 1.150 50 0 ADAARO Cc1ccsc1C[NH2+]C[C@H](C)O 2488679 342972624 /nfs/dbraw/zinc/97/26/24/342972624.db2.gz IRXFDSBXEGLIFN-QMMMGPOBSA-N 1 0 185.292 1.527 50 0 in-vitro ADAARO Cc1cc(F)cc(C)c1C[NH3+] 2509688 342972796 /nfs/dbraw/zinc/97/27/96/342972796.db2.gz UHGXIEPOLUPLSQ-UHFFFAOYSA-N 1 0 153.200 1.901 50 0 ADAARO C[NH+](C)CCCCCCCCO 2509721 342972894 /nfs/dbraw/zinc/97/28/94/342972894.db2.gz CAKJEDBOIMYCHP-UHFFFAOYSA-N 1 0 173.300 1.881 50 0 in-vitro ADAARO C[NH+](C)C[C@@H]1Cc2ccccc2C1=O 2508283 342972961 /nfs/dbraw/zinc/97/29/61/342972961.db2.gz IOXRKHWIYNWYFF-JTQLQIEISA-N 1 0 189.258 1.603 50 0 ADAARO Cc1cc(F)ccc1C[NH3+] 2509693 342973056 /nfs/dbraw/zinc/97/30/56/342973056.db2.gz KMDTUDLZKZTPCP-UHFFFAOYSA-N 1 0 139.173 1.593 50 0 ADAARO CCCCCC[C@H](C)[NH2+]CCO 2507926 342973075 /nfs/dbraw/zinc/97/30/75/342973075.db2.gz FTBVOJZWVWWLFB-JTQLQIEISA-N 1 0 173.300 1.927 50 0 ADAARO CC(C)[N@@H+]1CCC(=O)[C@H](C)[C@@H]1C 2510514 342973220 /nfs/dbraw/zinc/97/32/20/342973220.db2.gz MBUYANXUYMISOS-BDAKNGLRSA-N 1 0 169.268 1.694 50 0 ADAARO Cc1cccc(C[NH3+])c1C 2510231 342973240 /nfs/dbraw/zinc/97/32/40/342973240.db2.gz UKLRWOHZBISUMI-UHFFFAOYSA-N 1 0 135.210 1.762 50 0 in-vitro ADAARO Cc1ccc(O[C@H](C)C[NH3+])cc1 2513187 342973245 /nfs/dbraw/zinc/97/32/45/342973245.db2.gz UFSYYRNCFQQPQC-SECBINFHSA-N 1 0 165.236 1.721 50 0 in-vitro ADAARO C[C@H]1[C@@H](C)C(=O)CC[N@@H+]1C1CC1 2510511 342973265 /nfs/dbraw/zinc/97/32/65/342973265.db2.gz SECVTNICLPFQPY-SFYZADRCSA-N 1 0 167.252 1.448 50 0 ADAARO Cc1ccc([C@@H]2COCC[NH2+]2)cc1 2513108 342973304 /nfs/dbraw/zinc/97/33/04/342973304.db2.gz GVJDPIFKBRDIKX-NSHDSACASA-N 1 0 177.247 1.656 50 0 in-vitro ADAARO Cc1ccsc1C[NH2+]CCCO 2510430 342973421 /nfs/dbraw/zinc/97/34/21/342973421.db2.gz OQPSXWUGJRCJCO-UHFFFAOYSA-N 1 0 185.292 1.529 50 0 ADAARO CC(C)n1cc[n+](C(C)C)c1 2513722 342973620 /nfs/dbraw/zinc/97/36/20/342973620.db2.gz FYPVBTXELDUXDV-UHFFFAOYSA-N 1 0 153.249 1.937 50 0 in-vitro ADAARO CC(C)[NH2+]C[C@@H]1CCCO1 2518412 342973635 /nfs/dbraw/zinc/97/36/35/342973635.db2.gz PELLLKANMONICH-QMMMGPOBSA-N 1 0 143.230 1.163 50 0 ADAARO C[N@@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 2513609 342973896 /nfs/dbraw/zinc/97/38/96/342973896.db2.gz RITANGGXLSWSNG-IUCAKERBSA-N 1 0 167.252 1.450 50 0 ADAARO C[NH+](C)CCCNCc1cccs1 2518422 342973970 /nfs/dbraw/zinc/97/39/70/342973970.db2.gz WNDWOEWEQBGZIE-UHFFFAOYSA-N 1 0 198.335 1.789 50 0 ADAARO C[C@H]([NH2+]CCCO)c1ccncc1 2522935 342974043 /nfs/dbraw/zinc/97/40/43/342974043.db2.gz FDCRRSIBJZPFKU-VIFPVBQESA-N 1 0 180.251 1.115 50 0 ADAARO Cc1ccc(N)cc1C[NH3+] 2524596 342974188 /nfs/dbraw/zinc/97/41/88/342974188.db2.gz KQRBVQBUODOYPI-UHFFFAOYSA-N 1 0 136.198 1.036 50 0 ADAARO Nc1ccc(C[NH3+])cc1Cl 2524594 342974214 /nfs/dbraw/zinc/97/42/14/342974214.db2.gz UKADWWBTPJFZOM-UHFFFAOYSA-N 1 0 156.616 1.381 50 0 in-vitro ADAARO CCc1ccc(C[NH2+]C)cc1 2527531 342974423 /nfs/dbraw/zinc/97/44/23/342974423.db2.gz JCSDSVXBTRWEJS-UHFFFAOYSA-N 1 0 149.237 1.968 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc(F)c(F)c1 2528598 342974584 /nfs/dbraw/zinc/97/45/84/342974584.db2.gz AESHLRAPTJZOJL-YFKPBYRVSA-N 1 0 157.163 1.985 50 0 in-vitro ADAARO Cc1ccc([C@H]2C[NH2+]CCO2)cc1 2529094 342974600 /nfs/dbraw/zinc/97/46/00/342974600.db2.gz XGHVNCBSWLLQCP-LLVKDONJSA-N 1 0 177.247 1.656 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc(F)cc1F 2528597 342974606 /nfs/dbraw/zinc/97/46/06/342974606.db2.gz VBPKWFKAYDHOQW-YFKPBYRVSA-N 1 0 157.163 1.985 50 0 in-vitro ADAARO CCn1ncc(Cl)c1C[NH3+] 2534196 342974946 /nfs/dbraw/zinc/97/49/46/342974946.db2.gz PYKPDCKFNARURA-UHFFFAOYSA-N 1 0 159.620 1.015 50 0 in-vitro ADAARO Cc1nn(CC[NH3+])c(C)c1Cl 2535107 342975037 /nfs/dbraw/zinc/97/50/37/342975037.db2.gz PFJTZFXCKUWHFQ-UHFFFAOYSA-N 1 0 173.647 1.112 50 0 in-vitro ADAARO Cc1ccc(C[NH2+]CCCO)cc1 2533903 342975058 /nfs/dbraw/zinc/97/50/58/342975058.db2.gz HVQMLTSZXHJZRK-UHFFFAOYSA-N 1 0 179.263 1.467 50 0 ADAARO Cc1cccc([C@H]([NH3+])CCO)c1 2535309 342975125 /nfs/dbraw/zinc/97/51/25/342975125.db2.gz QBUYRBXUFMJAEP-SNVBAGLBSA-N 1 0 165.236 1.377 50 0 in-vitro ADAARO CCc1ccc2[nH]c(N)[nH+]c2c1 2534163 342975131 /nfs/dbraw/zinc/97/51/31/342975131.db2.gz GFHYRJKZFJOIJB-UHFFFAOYSA-N 1 0 161.208 1.708 50 0 ADAARO CCn1cc(Cl)c(C[NH3+])n1 2534195 342975144 /nfs/dbraw/zinc/97/51/44/342975144.db2.gz MEZJZDGZPVYJTM-UHFFFAOYSA-N 1 0 159.620 1.015 50 0 ADAARO CCn1ncc(Cl)c1C[NH2+]C 2534199 342975214 /nfs/dbraw/zinc/97/52/14/342975214.db2.gz VJKNPGWYVOONIE-UHFFFAOYSA-N 1 0 173.647 1.276 50 0 ADAARO Cc1cc(C(F)(F)F)nn1CC[NH3+] 2535108 342975238 /nfs/dbraw/zinc/97/52/38/342975238.db2.gz SHUCOXQGYVIPDK-UHFFFAOYSA-N 1 0 193.172 1.169 50 0 in-vitro ADAARO C[C@H]([NH3+])Cn1ccc(C(F)(F)F)n1 2537940 342975488 /nfs/dbraw/zinc/97/54/88/342975488.db2.gz AGCSKUQVZKYSRA-YFKPBYRVSA-N 1 0 193.172 1.249 50 0 ADAARO Cc1nn(CCC[NH3+])cc1Cl 2549612 342976115 /nfs/dbraw/zinc/97/61/15/342976115.db2.gz VZTNIZFBAXFCAP-UHFFFAOYSA-N 1 0 173.647 1.194 50 0 ADAARO Cc1nn(CCC[NH3+])c(C)c1Cl 2549614 342976217 /nfs/dbraw/zinc/97/62/17/342976217.db2.gz XPZXAEULIHCKCX-UHFFFAOYSA-N 1 0 187.674 1.502 50 0 in-vitro ADAARO Cc1cc(C(F)(F)F)nc(NN)[nH+]1 2554071 342976233 /nfs/dbraw/zinc/97/62/33/342976233.db2.gz JDRUGMLGGKVKNC-UHFFFAOYSA-N 1 0 192.144 1.089 50 0 in-vitro ADAARO CCC(CC)[NH2+]C[C@@H]1CCCO1 2554103 342976265 /nfs/dbraw/zinc/97/62/65/342976265.db2.gz WRMKGJTZAATILL-JTQLQIEISA-N 1 0 171.284 1.944 50 0 ADAARO CC(C)[NH2+]Cc1ccco1 2554097 342976338 /nfs/dbraw/zinc/97/63/38/342976338.db2.gz GAGIUQGGHJZYTE-UHFFFAOYSA-N 1 0 139.198 1.778 50 0 in-vitro ADAARO Cc1cc2cc(C[NH3+])ccc2[nH]1 2559727 342976399 /nfs/dbraw/zinc/97/63/99/342976399.db2.gz OZQPOLJBMYZUOL-UHFFFAOYSA-N 1 0 160.220 1.935 50 0 in-vitro ADAARO CCn1ncc([C@@H](C)[NH3+])c1C 2558417 342976404 /nfs/dbraw/zinc/97/64/04/342976404.db2.gz DNLQBUDAUQRNQA-ZCFIWIBFSA-N 1 0 153.229 1.231 50 0 ADAARO Cc1nn(C)c(C)c1C[NH2+]C(C)C 2559681 342976502 /nfs/dbraw/zinc/97/65/02/342976502.db2.gz IXYVMPXILWDRQA-UHFFFAOYSA-N 1 0 181.283 1.535 50 0 in-vitro ADAARO C[NH2+]C(C1CC1)C1CC1 2559667 342976516 /nfs/dbraw/zinc/97/65/16/342976516.db2.gz UUBORRNHRKSVNH-UHFFFAOYSA-N 1 0 125.215 1.394 50 0 in-vitro ADAARO Cc1cc(O)cc(C)c1C[NH3+] 2559212 342976558 /nfs/dbraw/zinc/97/65/58/342976558.db2.gz HHIMNWBUPYHECT-UHFFFAOYSA-N 1 0 151.209 1.468 50 0 ADAARO Cc1nn(C)c(C)c1[C@H](C)[NH3+] 2559679 342976561 /nfs/dbraw/zinc/97/65/61/342976561.db2.gz ZTWKRDLLRAVAFV-YFKPBYRVSA-N 1 0 153.229 1.057 50 0 in-vitro ADAARO CN(CCC[NH3+])c1ccccc1 2556905 342976627 /nfs/dbraw/zinc/97/66/27/342976627.db2.gz WGHBKYWUOOANEX-UHFFFAOYSA-N 1 0 164.252 1.472 50 0 in-vitro ADAARO CCn1cc([C@@H](C)[NH3+])c(C)n1 2558416 342976646 /nfs/dbraw/zinc/97/66/46/342976646.db2.gz LBPWIVHXGHWTHG-ZCFIWIBFSA-N 1 0 153.229 1.231 50 0 in-vitro ADAARO Cc1cc(C[NH3+])cc(C)c1O 2559213 342976656 /nfs/dbraw/zinc/97/66/56/342976656.db2.gz YZNPLEYSBNPOLB-UHFFFAOYSA-N 1 0 151.209 1.468 50 0 in-vitro ADAARO Cc1nccn1-c1ccccc1CO 2563832 342976842 /nfs/dbraw/zinc/97/68/42/342976842.db2.gz ISTAEQZMUZJXTF-UHFFFAOYSA-N 1 0 188.230 1.673 50 0 ADAARO CCC[NH2+]CC 2560588 342976857 /nfs/dbraw/zinc/97/68/57/342976857.db2.gz XCVNDBIXFPGMIW-UHFFFAOYSA-N 1 0 87.166 1.006 50 0 ADAARO CC1(C)[NH2+]CCS1 2560512 342976889 /nfs/dbraw/zinc/97/68/89/342976889.db2.gz SNPQRYOQWLOTFA-UHFFFAOYSA-N 1 0 117.217 1.059 50 0 in-vitro ADAARO C[C@H]1C[NH2+]C[C@H](C)C1 2564024 342976924 /nfs/dbraw/zinc/97/69/24/342976924.db2.gz IDWRJRPUIXRFRX-RNFRBKRXSA-N 1 0 113.204 1.252 50 0 in-vitro ADAARO Cc1nccn1-c1ccccc1C=O 2563695 342976930 /nfs/dbraw/zinc/97/69/30/342976930.db2.gz BNOJZJUNSOKVQD-UHFFFAOYSA-N 1 0 186.214 1.993 50 0 in-vitro ADAARO CC[C@H]([NH3+])C(=O)OC(C)(C)C 2560917 342976934 /nfs/dbraw/zinc/97/69/34/342976934.db2.gz UZHNWSLHLJLEAZ-LURJTMIESA-N 1 0 159.229 1.065 50 0 ADAARO CC1(C)CCC[N+]1=O 2563972 342976939 /nfs/dbraw/zinc/97/69/39/342976939.db2.gz VCUVETGKTILCLC-UHFFFAOYSA-N 1 0 113.160 1.140 50 0 in-vitro ADAARO C[NH+](C)CCNc1ccccc1 2560537 342977003 /nfs/dbraw/zinc/97/70/03/342977003.db2.gz FRCVOKAWJJIJHQ-UHFFFAOYSA-N 1 0 164.252 1.660 50 0 ADAARO C[NH2+]C1CCCC1 2566219 342977203 /nfs/dbraw/zinc/97/72/03/342977203.db2.gz KKTBUCVHSCATGB-UHFFFAOYSA-N 1 0 99.177 1.148 50 0 in-vitro ADAARO C[C@H]([NH3+])CC(=O)OC(C)(C)C 2569672 342977582 /nfs/dbraw/zinc/97/75/82/342977582.db2.gz BFFNZGWJTHWUMY-LURJTMIESA-N 1 0 159.229 1.065 50 0 in-vitro ADAARO C[C@H]([NH3+])CCCc1cccnc1 2567342 342977696 /nfs/dbraw/zinc/97/76/96/342977696.db2.gz FVWVJTJAALVOQO-VIFPVBQESA-N 1 0 164.252 1.752 50 0 in-vitro ADAARO C[C@H]([NH3+])CC(=O)OCc1ccccc1 2567320 342977760 /nfs/dbraw/zinc/97/77/60/342977760.db2.gz NOHFRXCNQZIVBV-VIFPVBQESA-N 1 0 193.246 1.467 50 0 in-vitro ADAARO CC(C)[NH2+][C@@H](CO)c1ccccc1 2567305 342977802 /nfs/dbraw/zinc/97/78/02/342977802.db2.gz XFSCVCVPECOHBL-NSHDSACASA-N 1 0 179.263 1.718 50 0 in-vitro ADAARO C[C@H]([NH3+])CCc1ccc(O)cc1 2567331 342977847 /nfs/dbraw/zinc/97/78/47/342977847.db2.gz WNTVTQIJPAFZEL-QMMMGPOBSA-N 1 0 165.236 1.672 50 0 in-vitro ADAARO CC[C@@H]([NH3+])COCc1ccccc1 2570093 342977855 /nfs/dbraw/zinc/97/78/55/342977855.db2.gz DFQWOAPAERBEID-LLVKDONJSA-N 1 0 179.263 1.941 50 0 ADAARO Cc1ccc2c(CC[NH3+])c[nH]c2c1 2572406 342978010 /nfs/dbraw/zinc/97/80/10/342978010.db2.gz GEVXFHYJXGYXJP-UHFFFAOYSA-N 1 0 174.247 1.978 50 0 in-vitro ADAARO Cc1[nH]c2ccc(O)cc2c1CC[NH3+] 2572146 342978013 /nfs/dbraw/zinc/97/80/13/342978013.db2.gz WYWNEDARFVJQSG-UHFFFAOYSA-N 1 0 190.246 1.683 50 0 in-vivo ADAARO Cc1cccc(C)c1C[NH3+] 2574328 342978048 /nfs/dbraw/zinc/97/80/48/342978048.db2.gz ZFDBHFFKSQCNML-UHFFFAOYSA-N 1 0 135.210 1.762 50 0 ADAARO Cc1cccc(C)c1CC[NH3+] 2574329 342978081 /nfs/dbraw/zinc/97/80/81/342978081.db2.gz NVXJQKFBPRPHND-UHFFFAOYSA-N 1 0 149.237 1.805 50 0 in-vitro ADAARO C[C@H]1CCC[C@H](C)C1[NH3+] 2572539 342978102 /nfs/dbraw/zinc/97/81/02/342978102.db2.gz KSGAAWJLYHYMLT-BQBZGAKWSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO C[C@H](C[NH3+])c1cccs1 2575601 342978454 /nfs/dbraw/zinc/97/84/54/342978454.db2.gz FWRBHKLKOBUBEQ-ZCFIWIBFSA-N 1 0 141.239 1.810 50 0 in-vitro ADAARO CCn1nc(C)c(C[NH2+]C)c1C 2578435 342978469 /nfs/dbraw/zinc/97/84/69/342978469.db2.gz GMTGJNZXFRIXQA-UHFFFAOYSA-N 1 0 167.256 1.239 50 0 in-vitro ADAARO C[N@@H+]1CC[C@@H]2Nc3ccccc3[C@H]2C1 2578355 342978486 /nfs/dbraw/zinc/97/84/86/342978486.db2.gz KDOLICPJGKZRKU-PWSUYJOCSA-N 1 0 188.274 1.900 50 0 biogenic ADAARO CC[C@@H]1CCC[NH2+]1 2582573 342978642 /nfs/dbraw/zinc/97/86/42/342978642.db2.gz JFZLDRUSMYBXRI-ZCFIWIBFSA-N 1 0 99.177 1.148 50 0 in-vitro ADAARO CCCC[C@@H]1CCC[NH2+]1 2582589 342978812 /nfs/dbraw/zinc/97/88/12/342978812.db2.gz CKHOSERPJPIUIL-MRVPVSSYSA-N 1 0 127.231 1.929 50 0 in-vitro ADAARO C[C@H]1CC[C@H](C)[NH2+]C1 2580846 342978864 /nfs/dbraw/zinc/97/88/64/342978864.db2.gz ICBFNPPCXPMCBP-BQBZGAKWSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CCCC[C@@]([NH3+])(CC)C(=O)OCC 2582491 342978866 /nfs/dbraw/zinc/97/88/66/342978866.db2.gz PUFPKUWTAGCFPT-JTQLQIEISA-N 1 0 187.283 1.847 50 0 in-vitro ADAARO C[NH+](C1CC1)C1CC1 2583389 342979073 /nfs/dbraw/zinc/97/90/73/342979073.db2.gz TXNBSTNWVSFRLH-UHFFFAOYSA-N 1 0 111.188 1.243 50 0 in-vitro ADAARO C[C@H](C[NH3+])Oc1ccc(F)cc1 2583849 342979238 /nfs/dbraw/zinc/97/92/38/342979238.db2.gz BKMIGRSVUBPFSI-SSDOTTSWSA-N 1 0 169.199 1.552 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc2c(c1)OCO2 2732032 342979379 /nfs/dbraw/zinc/97/93/79/342979379.db2.gz ZWBXYAKHFVPCBF-LURJTMIESA-N 1 0 165.192 1.435 50 0 in-vitro ADAARO Cc1ccc(OCC[NH3+])cc1 2643982 342979393 /nfs/dbraw/zinc/97/93/93/342979393.db2.gz WRJHHZOBJGDIHT-UHFFFAOYSA-N 1 0 151.209 1.333 50 0 in-vitro ADAARO CCc1ccccc1NC(=O)C[NH2+]C 2647833 342979398 /nfs/dbraw/zinc/97/93/98/342979398.db2.gz DVNOAECEMGEQKP-UHFFFAOYSA-N 1 0 192.262 1.407 50 0 in-vitro ADAARO C[NH2+]CC(=O)Nc1cccc(C)c1C 2643725 342979417 /nfs/dbraw/zinc/97/94/17/342979417.db2.gz OCKCJOOHJZKLDD-UHFFFAOYSA-N 1 0 192.262 1.461 50 0 in-vitro ADAARO Cc1cc(C)c(NC(=O)C[NH3+])c(C)c1 2656606 342979456 /nfs/dbraw/zinc/97/94/56/342979456.db2.gz XAULTICIAIZPKJ-UHFFFAOYSA-N 1 0 192.262 1.509 50 0 in-vitro ADAARO C[NH+](C)CCCNCc1ccccc1 2647841 342979529 /nfs/dbraw/zinc/97/95/29/342979529.db2.gz YRZNCMFHFHBVMC-UHFFFAOYSA-N 1 0 192.306 1.728 50 0 ADAARO Cc1cccc(C)c1NC(=O)C[NH3+] 2635368 342979622 /nfs/dbraw/zinc/97/96/22/342979622.db2.gz IXYVBZOSGGJWCW-UHFFFAOYSA-N 1 0 178.235 1.201 50 0 world ADAARO C[NH+](C)C1CCCC1 2650216 342979633 /nfs/dbraw/zinc/97/96/33/342979633.db2.gz ZEFLPHRHPMEVPM-UHFFFAOYSA-N 1 0 113.204 1.491 50 0 ADAARO Cc1cccc(NC(=O)C[NH3+])c1C 2643732 342979652 /nfs/dbraw/zinc/97/96/52/342979652.db2.gz QBIGOPCNHBHYRE-UHFFFAOYSA-N 1 0 178.235 1.201 50 0 in-vitro ADAARO CCc1ccccc1NC(=O)C[NH3+] 2647731 342979687 /nfs/dbraw/zinc/97/96/87/342979687.db2.gz FBXMXPCFQIEBBC-UHFFFAOYSA-N 1 0 178.235 1.146 50 0 ADAARO CC1(C[NH3+])CCCC1 3176927 342981296 /nfs/dbraw/zinc/98/12/96/342981296.db2.gz GCMLGSALHMDQFS-UHFFFAOYSA-N 1 0 113.204 1.525 50 0 in-vitro ADAARO CCCCN1CC[C@@H]1C(=O)OC 3179184 342981368 /nfs/dbraw/zinc/98/13/68/342981368.db2.gz NVBNBHMWNOITIM-MRVPVSSYSA-N 1 0 171.240 1.034 50 0 ADAARO CNC(=[NH2+])COc1ccc(Cl)cc1 3165140 342981467 /nfs/dbraw/zinc/98/14/67/342981467.db2.gz RHUCZIHCJUZSCD-UHFFFAOYSA-N 1 0 198.653 1.915 50 0 ADAARO CCCCN1CC[C@H]1C(=O)OC 3179181 342981545 /nfs/dbraw/zinc/98/15/45/342981545.db2.gz NVBNBHMWNOITIM-QMMMGPOBSA-N 1 0 171.240 1.034 50 0 ADAARO C[NH2+]CC(=O)Nc1ccccc1Cl 3296816 342981811 /nfs/dbraw/zinc/98/18/11/342981811.db2.gz NQXLKYSTIHXEOM-UHFFFAOYSA-N 1 0 198.653 1.498 50 0 in-vitro ADAARO C[NH2+]CC(=O)Nc1ccc(C)cc1 3271011 342981842 /nfs/dbraw/zinc/98/18/42/342981842.db2.gz ZBYCJXKBBVZZOF-UHFFFAOYSA-N 1 0 178.235 1.153 50 0 ADAARO C[NH2+]CC(=O)Nc1cc(C)ccc1C 3280882 342981970 /nfs/dbraw/zinc/98/19/70/342981970.db2.gz CECYGDCUGARSKV-UHFFFAOYSA-N 1 0 192.262 1.461 50 0 in-vitro ADAARO C[NH2+]CCOc1ccc(OC)cc1 3454315 342982201 /nfs/dbraw/zinc/98/22/01/342982201.db2.gz HWUZQODGTCVVBO-UHFFFAOYSA-N 1 0 181.235 1.293 50 0 in-vitro ADAARO Cc1cccc(OCC[NH3+])c1 3440382 342982262 /nfs/dbraw/zinc/98/22/62/342982262.db2.gz IGGVZLIHUYNMNQ-UHFFFAOYSA-N 1 0 151.209 1.333 50 0 in-vitro ADAARO C[NH2+]CC(=O)Nc1c(C)cccc1C 3335992 342982294 /nfs/dbraw/zinc/98/22/94/342982294.db2.gz MNPVBKFHOBFDKB-UHFFFAOYSA-N 1 0 192.262 1.461 50 0 in-vitro ADAARO CN(C)c1cc2ccccc2c(N)[nH+]1 3603123 342982418 /nfs/dbraw/zinc/98/24/18/342982418.db2.gz HIARQWAOAUEZDE-UHFFFAOYSA-N 1 0 187.246 1.883 50 0 ADAARO C[N@@H+]1CC[C@@H]2Nc3ccccc3[C@@H]2C1 3600651 342982507 /nfs/dbraw/zinc/98/25/07/342982507.db2.gz KDOLICPJGKZRKU-JQWIXIFHSA-N 1 0 188.274 1.900 50 0 ADAARO CCC[NH+](CCC)CCCO 3608623 342982784 /nfs/dbraw/zinc/98/27/84/342982784.db2.gz HVQPWDRWEZEOCN-UHFFFAOYSA-N 1 0 159.273 1.491 50 0 in-vitro ADAARO CC[C@H]1CCC[NH2+]C1 3635251 342982840 /nfs/dbraw/zinc/98/28/40/342982840.db2.gz YLUDSYGJHAQGOD-ZETCQYMHSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO Cc1ccc(C[C@@H](C)[NH3+])cc1 3617442 342982878 /nfs/dbraw/zinc/98/28/78/342982878.db2.gz ZDHZDWSHLNBTEB-SECBINFHSA-N 1 0 149.237 1.885 50 0 in-vitro ADAARO CC[C@@H]1CCC[NH2+]C1 3635252 342983003 /nfs/dbraw/zinc/98/30/03/342983003.db2.gz YLUDSYGJHAQGOD-SSDOTTSWSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO C[C@H]1CCC[C@H](C)[NH2+]1 3641749 342983167 /nfs/dbraw/zinc/98/31/67/342983167.db2.gz SDGKUVSVPIIUCF-BQBZGAKWSA-N 1 0 113.204 1.537 50 0 in-man ADAARO C[NH+](C)Cc1ccc(C=O)cc1 3650409 342983292 /nfs/dbraw/zinc/98/32/92/342983292.db2.gz HQDFSQZWAINMKA-UHFFFAOYSA-N 1 0 163.220 1.561 50 0 in-vitro ADAARO C[C@H]([C@@H](O)c1ccccc1)[NH+](C)C 3643826 342983299 /nfs/dbraw/zinc/98/32/99/342983299.db2.gz FMCGSUUBYTWNDP-MWLCHTKSSA-N 1 0 179.263 1.670 50 0 biogenic,world ADAARO C[NH+](C)C[C@@H]1Cc2ccccc2O1 3682934 342983704 /nfs/dbraw/zinc/98/37/04/342983704.db2.gz RPCZSPNZKDRMDW-JTQLQIEISA-N 1 0 177.247 1.552 50 0 ADAARO CC1CC[NH+](C2CCN(C)CC2)CC1 3683706 342983724 /nfs/dbraw/zinc/98/37/24/342983724.db2.gz JUFUZZNIRNVLTQ-UHFFFAOYSA-N 1 0 196.338 1.813 50 0 ADAARO Cc1ccc([C@@H](C)[NH3+])o1 3705340 342983770 /nfs/dbraw/zinc/98/37/70/342983770.db2.gz XEWUTPKFVOPDCL-ZCFIWIBFSA-N 1 0 125.171 1.608 50 0 in-vitro ADAARO Cc1csc([C@H](C)[NH3+])n1 3709133 342983781 /nfs/dbraw/zinc/98/37/81/342983781.db2.gz NSXQYSQZXMGRPJ-YFKPBYRVSA-N 1 0 142.227 1.471 50 0 in-vitro ADAARO Cc1ccc([C@H](C)[NH3+])o1 3705341 342983808 /nfs/dbraw/zinc/98/38/08/342983808.db2.gz XEWUTPKFVOPDCL-LURJTMIESA-N 1 0 125.171 1.608 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cc(F)ccc1F 3705318 342983818 /nfs/dbraw/zinc/98/38/18/342983818.db2.gz BMIRIPDNKQHPQG-YFKPBYRVSA-N 1 0 157.163 1.985 50 0 in-vitro ADAARO CC(C)c1csc(CC[NH3+])n1 3708399 342983849 /nfs/dbraw/zinc/98/38/49/342983849.db2.gz NKWDCUDTXYWPNT-UHFFFAOYSA-N 1 0 170.281 1.768 50 0 ADAARO CC(C)c1csc(C[NH3+])n1 3710558 342984075 /nfs/dbraw/zinc/98/40/75/342984075.db2.gz VSGIPJCMOMQAOQ-UHFFFAOYSA-N 1 0 156.254 1.725 50 0 in-vitro ADAARO Cc1cc(C)nc(C[C@H]2CCC[NH2+]2)c1 3732476 342984082 /nfs/dbraw/zinc/98/40/82/342984082.db2.gz GRLQGKAFBWWTIO-LLVKDONJSA-N 1 0 190.290 1.993 50 0 ADAARO CC[C@H]1[NH2+]CC[C@@H]1C 3733587 342984086 /nfs/dbraw/zinc/98/40/86/342984086.db2.gz KRWLHJKHRJHIEJ-NKWVEPMBSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CC[C@H]1CCC[NH2+]1 3732221 342984103 /nfs/dbraw/zinc/98/41/03/342984103.db2.gz JFZLDRUSMYBXRI-LURJTMIESA-N 1 0 99.177 1.148 50 0 in-vitro ADAARO CC[C@H]1[NH2+]CC[C@H]1C 3733589 342984109 /nfs/dbraw/zinc/98/41/09/342984109.db2.gz KRWLHJKHRJHIEJ-RNFRBKRXSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CCCC[C@H]1CCC[NH2+]1 3732268 342984131 /nfs/dbraw/zinc/98/41/31/342984131.db2.gz CKHOSERPJPIUIL-QMMMGPOBSA-N 1 0 127.231 1.929 50 0 in-vitro ADAARO Cc1cccc(C[C@@H]2CCC[NH2+]2)n1 3732479 342984155 /nfs/dbraw/zinc/98/41/55/342984155.db2.gz GXTNPAAJTSQMEF-JTQLQIEISA-N 1 0 176.263 1.685 50 0 in-vitro ADAARO CC(C)[C@H]1CCC[NH2+]1 3732226 342984159 /nfs/dbraw/zinc/98/41/59/342984159.db2.gz UOADRGAJWNJVGC-SSDOTTSWSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO Cc1cccc(C[C@H]2CCC[NH2+]2)n1 3732478 342984164 /nfs/dbraw/zinc/98/41/64/342984164.db2.gz GXTNPAAJTSQMEF-SNVBAGLBSA-N 1 0 176.263 1.685 50 0 in-vitro ADAARO CC[C@@H]1[NH2+]CC[C@@H]1C 3733586 342984182 /nfs/dbraw/zinc/98/41/82/342984182.db2.gz KRWLHJKHRJHIEJ-BQBZGAKWSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CC(C)SC(N)=[NH2+] 3806248 342984829 /nfs/dbraw/zinc/98/48/29/342984829.db2.gz XSSNABKEYXKKMK-UHFFFAOYSA-N 1 0 118.205 1.021 50 0 in-vivo ADAARO CC1(C)CC[C@@H]([NH3+])C1 3801201 342984900 /nfs/dbraw/zinc/98/49/00/342984900.db2.gz LSRWLFSMCCKSJA-ZCFIWIBFSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO C[C@H]1[NH2+]CC[C@@]2(O)CCCC[C@@H]12 3866178 342985378 /nfs/dbraw/zinc/98/53/78/342985378.db2.gz LVDLOGDWSPRQQJ-UTLUCORTSA-N 1 0 169.268 1.290 50 0 ADAARO C[C@H]([NH3+])CCc1ccco1 3882374 342985681 /nfs/dbraw/zinc/98/56/81/342985681.db2.gz FMXPHTQMUMXJKJ-ZETCQYMHSA-N 1 0 139.198 1.559 50 0 in-vitro ADAARO C[C@H]([NH3+])Cc1ccco1 3882587 342985685 /nfs/dbraw/zinc/98/56/85/342985685.db2.gz IDUAQSPIDXGMKI-LURJTMIESA-N 1 0 125.171 1.169 50 0 in-vitro ADAARO Cc1ccn2cc(CC[NH3+])nc2c1 3883060 342985715 /nfs/dbraw/zinc/98/57/15/342985715.db2.gz TWYXSGQQQHPFSI-UHFFFAOYSA-N 1 0 175.235 1.144 50 0 ADAARO C[NH2+]CCCc1ccco1 3882589 342985864 /nfs/dbraw/zinc/98/58/64/342985864.db2.gz GKIUEIPANNQGFU-UHFFFAOYSA-N 1 0 139.198 1.432 50 0 in-vitro ADAARO Cc1cccn2cc(CC[NH3+])nc12 3883061 342985865 /nfs/dbraw/zinc/98/58/65/342985865.db2.gz UQHSMFRHNGALMY-UHFFFAOYSA-N 1 0 175.235 1.144 50 0 in-vitro ADAARO CC1(C)[NH2+][C@]2(C)CC[C@H]1CC2=O 3898992 342986065 /nfs/dbraw/zinc/98/60/65/342986065.db2.gz FPQLZLVELVDEJD-OIBJUYFYSA-N 1 0 167.252 1.496 50 0 ADAARO Cc1ccc2n1CC[NH2+][C@H]2C 3886937 342986069 /nfs/dbraw/zinc/98/60/69/342986069.db2.gz FHVWOMCSCGPZSD-QMMMGPOBSA-N 1 0 150.225 1.461 50 0 ADAARO Cc1ccc2n1CC[NH2+][C@@H]2C 3886936 342986078 /nfs/dbraw/zinc/98/60/78/342986078.db2.gz FHVWOMCSCGPZSD-MRVPVSSYSA-N 1 0 150.225 1.461 50 0 ADAARO CCCCNC1=[NH+]CCS1 3885694 342986139 /nfs/dbraw/zinc/98/61/39/342986139.db2.gz LPCCCOIMYNLNEX-UHFFFAOYSA-N 1 0 158.270 1.479 50 0 ADAARO CCn1c(C[NH3+])nc2ccccc21 3888422 342986163 /nfs/dbraw/zinc/98/61/63/342986163.db2.gz JODSAKGGJDQULV-UHFFFAOYSA-N 1 0 175.235 1.515 50 0 in-vitro ADAARO Cc1nc2ccccc2n1CC[NH3+] 3888453 342986189 /nfs/dbraw/zinc/98/61/89/342986189.db2.gz UREWYRDRWNMMAZ-UHFFFAOYSA-N 1 0 175.235 1.303 50 0 in-vitro ADAARO Cc1cccc(C2=[NH+]CCN2)c1 4014410 342986514 /nfs/dbraw/zinc/98/65/14/342986514.db2.gz FAZYMPYKTJYGNR-UHFFFAOYSA-N 1 0 160.220 1.345 50 0 ADAARO CC(C)NC1=[NH+]C[C@@H](C)S1 4016203 342986519 /nfs/dbraw/zinc/98/65/19/342986519.db2.gz SFCLNPSJDDIDKT-ZCFIWIBFSA-N 1 0 158.270 1.476 50 0 ADAARO CNC(=[NH2+])c1ccc(C)cc1 4014411 342986537 /nfs/dbraw/zinc/98/65/37/342986537.db2.gz HFHWSEPWFKERFZ-UHFFFAOYSA-N 1 0 148.209 1.540 50 0 ADAARO C[NH2+]CC(=O)c1c[nH]c2ccccc12 4013861 342986597 /nfs/dbraw/zinc/98/65/97/342986597.db2.gz YGYBCSINYIHIIA-UHFFFAOYSA-N 1 0 188.230 1.570 50 0 in-vitro ADAARO CC[C@H](C)[NH2+]C[C@H](O)C(F)(F)F 4050495 342986985 /nfs/dbraw/zinc/98/69/85/342986985.db2.gz XHHBBCJFYLKQGK-WDSKDSINSA-N 1 0 185.189 1.298 50 0 ADAARO C[NH+](C)CCC(=O)c1cccs1 4087108 342987050 /nfs/dbraw/zinc/98/70/50/342987050.db2.gz JNMZUWJMJSKMON-UHFFFAOYSA-N 1 0 183.276 1.883 50 0 in-vitro ADAARO Cc1cccc(C)c1OCC[NH3+] 4072718 342987079 /nfs/dbraw/zinc/98/70/79/342987079.db2.gz OJWIDJMWYOGNJU-UHFFFAOYSA-N 1 0 165.236 1.641 50 0 in-vitro ADAARO CC[C@H]([NH3+])Cc1ccc2c(c1)OCO2 4072751 342987142 /nfs/dbraw/zinc/98/71/42/342987142.db2.gz VHMRXGAIDDCGDU-VIFPVBQESA-N 1 0 193.246 1.695 50 0 in-vitro ADAARO CC[C@@H]([NH3+])Cc1ccccc1 4072148 342987166 /nfs/dbraw/zinc/98/71/66/342987166.db2.gz IOLQWLOHKZENDW-SNVBAGLBSA-N 1 0 149.237 1.966 50 0 in-vitro ADAARO CCc1ccc(OCC[NH3+])cc1 4072731 342987175 /nfs/dbraw/zinc/98/71/75/342987175.db2.gz AQSXXTOBTSMTQT-UHFFFAOYSA-N 1 0 165.236 1.587 50 0 in-vitro ADAARO CC[C@H]([NH3+])Cc1ccccc1 4072146 342987201 /nfs/dbraw/zinc/98/72/01/342987201.db2.gz IOLQWLOHKZENDW-JTQLQIEISA-N 1 0 149.237 1.966 50 0 in-vivo ADAARO CC(C)Oc1cccc(CC[NH3+])c1 4110295 342987421 /nfs/dbraw/zinc/98/74/21/342987421.db2.gz JSECYUMSFUEJPJ-UHFFFAOYSA-N 1 0 179.263 1.975 50 0 in-vitro ADAARO C[N@@H+]1[C@H]2CCC[C@@H]1CC(=O)C2 4098911 342987452 /nfs/dbraw/zinc/98/74/52/342987452.db2.gz RHWSKVCZXBAWLZ-OCAPTIKFSA-N 1 0 153.225 1.202 50 0 endogenous,in-man ADAARO CCC[NH2+]Cc1ccc(O)cc1 4107140 342987463 /nfs/dbraw/zinc/98/74/63/342987463.db2.gz JFPQZPMSTMUYJV-UHFFFAOYSA-N 1 0 165.236 1.892 50 0 ADAARO Cc1ccc2cc3c([nH+]c2c1)N(N)CC3 4137100 342987551 /nfs/dbraw/zinc/98/75/51/342987551.db2.gz YLJNOWMLXMPTLH-UHFFFAOYSA-N 1 0 199.257 1.779 50 0 ADAARO C[N@@H+]1CC[C@](C)(O)[C@H]2CCCC[C@@H]21 4127266 342987582 /nfs/dbraw/zinc/98/75/82/342987582.db2.gz OFUROGGOSSXCBF-DCAQKATOSA-N 1 0 183.295 1.632 50 0 ADAARO C[C@H]1C[NH2+]C2(CCCC2)O1 4106837 342987597 /nfs/dbraw/zinc/98/75/97/342987597.db2.gz LUWNADIZRVWPEH-ZETCQYMHSA-N 1 0 141.214 1.265 50 0 ADAARO CC[C@]1(O)C[C@@H](C)[N@H+](C)C[C@@H]1C 4141683 342987702 /nfs/dbraw/zinc/98/77/02/342987702.db2.gz XEOCATJPKSQIPI-AEJSXWLSSA-N 1 0 171.284 1.488 50 0 ADAARO C[C@H]([NH3+])c1cccc(F)c1 4200303 342987849 /nfs/dbraw/zinc/98/78/49/342987849.db2.gz ASNVMKIDRJZXQZ-LURJTMIESA-N 1 0 139.173 1.845 50 0 in-vitro ADAARO Cc1ccc(C)c(NC(=O)C[NH3+])c1 4201714 342987855 /nfs/dbraw/zinc/98/78/55/342987855.db2.gz PXUJYKIEHWDGHM-UHFFFAOYSA-N 1 0 178.235 1.201 50 0 ADAARO C[C@H]1C[NH2+]CC[C@H]1C(=O)OC(C)(C)C 4203744 342987871 /nfs/dbraw/zinc/98/78/71/342987871.db2.gz AVBWGECREPOGMS-DTWKUNHWSA-N 1 0 199.294 1.574 50 0 ADAARO C[C@H]1C[NH2+]CC[C@@H]1C(=O)OC(C)(C)C 4203742 342987900 /nfs/dbraw/zinc/98/79/00/342987900.db2.gz AVBWGECREPOGMS-IUCAKERBSA-N 1 0 199.294 1.574 50 0 ADAARO Cc1ccc(NC(=O)C[NH3+])cc1Cl 4201704 342987969 /nfs/dbraw/zinc/98/79/69/342987969.db2.gz LVRKOYLNTZIEFG-UHFFFAOYSA-N 1 0 198.653 1.546 50 0 ADAARO Cc1ccc(Cl)cc1NC(=O)C[NH3+] 4201705 342988016 /nfs/dbraw/zinc/98/80/16/342988016.db2.gz OKGPKROCGDGCMR-UHFFFAOYSA-N 1 0 198.653 1.546 50 0 ADAARO Cc1ccc(NC(=O)C[NH3+])c(C)c1 4201709 342988087 /nfs/dbraw/zinc/98/80/87/342988087.db2.gz YGCPJMYYCZRQDL-UHFFFAOYSA-N 1 0 178.235 1.201 50 0 ADAARO Cc1ccc(NC(=O)C[NH3+])cc1C 4201707 342988162 /nfs/dbraw/zinc/98/81/62/342988162.db2.gz LKSCZNWJQXCZGK-UHFFFAOYSA-N 1 0 178.235 1.201 50 0 ADAARO Cc1cc(Cl)ccc1C(N)=[NH2+] 4203514 342988190 /nfs/dbraw/zinc/98/81/90/342988190.db2.gz HAYWNVRJEJDSGH-UHFFFAOYSA-N 1 0 168.627 1.932 50 0 ADAARO Cc1cc(N)c2c([nH+]1)CCCC2 4202428 342988248 /nfs/dbraw/zinc/98/82/48/342988248.db2.gz FTGOJKPUJODQKE-UHFFFAOYSA-N 1 0 162.236 1.851 50 0 in-vitro ADAARO CCc1ccc(NC(=O)C[NH3+])cc1 4201702 342988262 /nfs/dbraw/zinc/98/82/62/342988262.db2.gz HIOFJEANMHBSRH-UHFFFAOYSA-N 1 0 178.235 1.146 50 0 ADAARO CC[C@H](C)NC1=[NH+]C[C@H](C)S1 4207810 342988376 /nfs/dbraw/zinc/98/83/76/342988376.db2.gz FPORBLGIQSSPPA-BQBZGAKWSA-N 1 0 172.297 1.866 50 0 ADAARO C[C@H]([NH3+])c1ccc(-n2cncn2)cc1 4206138 342988575 /nfs/dbraw/zinc/98/85/75/342988575.db2.gz LWCNLFHKRQJWOW-QMMMGPOBSA-N 1 0 188.234 1.287 50 0 in-vitro ADAARO CC[C@H](C)NC1=[NH+]C[C@@H](C)S1 4207813 342988668 /nfs/dbraw/zinc/98/86/68/342988668.db2.gz FPORBLGIQSSPPA-NKWVEPMBSA-N 1 0 172.297 1.866 50 0 ADAARO C[NH2+]C1CCC(C)CC1 4205628 342988693 /nfs/dbraw/zinc/98/86/93/342988693.db2.gz YBPHGVBAJQGYDH-UHFFFAOYSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO C[NH2+]CCOc1ccccc1Cl 4219076 342988806 /nfs/dbraw/zinc/98/88/06/342988806.db2.gz GYRWDMBVYFSMTO-UHFFFAOYSA-N 1 0 185.654 1.938 50 0 in-vitro ADAARO Cc1cc(OCC[NH3+])ccc1Cl 4227461 342988808 /nfs/dbraw/zinc/98/88/08/342988808.db2.gz BDMIIOXQERVSLH-UHFFFAOYSA-N 1 0 185.654 1.986 50 0 in-vitro ADAARO C[NH2+]CCOc1cccc(C)c1 4219078 342988812 /nfs/dbraw/zinc/98/88/12/342988812.db2.gz SRAUDTDSROSIAV-UHFFFAOYSA-N 1 0 165.236 1.593 50 0 in-vitro ADAARO C[NH2+]CCOc1ccccc1F 4219074 342988853 /nfs/dbraw/zinc/98/88/53/342988853.db2.gz MLIZRZUCXFNJMI-UHFFFAOYSA-N 1 0 169.199 1.424 50 0 in-vitro ADAARO C[NH2+]CCOc1ccccc1C 4219075 342988855 /nfs/dbraw/zinc/98/88/55/342988855.db2.gz LAQPZEOLYXHYNH-UHFFFAOYSA-N 1 0 165.236 1.593 50 0 in-vitro ADAARO Cc1cccc(OCC[NH3+])c1C 4227441 342988951 /nfs/dbraw/zinc/98/89/51/342988951.db2.gz QFFKNTCASXEPOQ-UHFFFAOYSA-N 1 0 165.236 1.641 50 0 ADAARO C[C@H]1CCC[C@H](C)N1C(N)=[NH2+] 4219212 342988954 /nfs/dbraw/zinc/98/89/54/342988954.db2.gz RZEBWKXHTOCTKQ-BQBZGAKWSA-N 1 0 155.245 1.143 50 0 ADAARO Cc1ccc(C)c(OCC[NH3+])c1 4227440 342988961 /nfs/dbraw/zinc/98/89/61/342988961.db2.gz IYHRVDDDRMNGIC-UHFFFAOYSA-N 1 0 165.236 1.641 50 0 ADAARO C[NH2+]CCOc1cc(C)cc(C)c1 4219073 342989017 /nfs/dbraw/zinc/98/90/17/342989017.db2.gz RLZQQSQHDIDQOD-UHFFFAOYSA-N 1 0 179.263 1.902 50 0 in-vitro ADAARO Cc1cccc(OCCC[NH3+])c1 4218926 342989021 /nfs/dbraw/zinc/98/90/21/342989021.db2.gz KYPNQHWSJGEREB-UHFFFAOYSA-N 1 0 165.236 1.723 50 0 in-vitro ADAARO C[NH2+]CCOc1cccc(Cl)c1 4219080 342989024 /nfs/dbraw/zinc/98/90/24/342989024.db2.gz ZLHBSKXCIBNODG-UHFFFAOYSA-N 1 0 185.654 1.938 50 0 in-vitro ADAARO C[C@H]1CCC[C@@H](C)N1C(N)=[NH2+] 4219211 342989033 /nfs/dbraw/zinc/98/90/33/342989033.db2.gz RZEBWKXHTOCTKQ-KNVOCYPGSA-N 1 0 155.245 1.143 50 0 ADAARO C[C@H]1[NH2+]CCc2sccc21 4218409 342989054 /nfs/dbraw/zinc/98/90/54/342989054.db2.gz IKTLCKCXJUXCSP-ZCFIWIBFSA-N 1 0 153.250 1.955 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H](O)c1ccc(Cl)cc1 4240143 342989238 /nfs/dbraw/zinc/98/92/38/342989238.db2.gz LTOCGMHUCZEAMG-IMTBSYHQSA-N 1 0 185.654 1.721 50 0 ADAARO CCc1ccc(C[C@@H]2CCC[NH2+]2)nc1 4234771 342989320 /nfs/dbraw/zinc/98/93/20/342989320.db2.gz DXHITMAEHYBQOL-NSHDSACASA-N 1 0 190.290 1.939 50 0 in-vitro ADAARO Cc1cc(C[C@@H]2CCC[NH2+]2)cc(C)n1 4234790 342989363 /nfs/dbraw/zinc/98/93/63/342989363.db2.gz JOVOYRNMQDYODD-LBPRGKRZSA-N 1 0 190.290 1.993 50 0 ADAARO CCCCn1ccnc1C[NH3+] 4244052 342989392 /nfs/dbraw/zinc/98/93/92/342989392.db2.gz LXKDNTVSXMDYTF-UHFFFAOYSA-N 1 0 153.229 1.142 50 0 ADAARO CCCCn1ccnc1C[NH2+]C 4243968 342989435 /nfs/dbraw/zinc/98/94/35/342989435.db2.gz RGIJMESNJWVLRJ-UHFFFAOYSA-N 1 0 167.256 1.403 50 0 ADAARO C[C@]12CCCC[N@@H+]1CCC[C@H]2CO 4235168 342989478 /nfs/dbraw/zinc/98/94/78/342989478.db2.gz WVDUAOYJLFVEMW-WDEREUQCSA-N 1 0 183.295 1.633 50 0 ADAARO Cc1cc(C[C@H]2CCC[NH2+]2)cc(C)n1 4234791 342989510 /nfs/dbraw/zinc/98/95/10/342989510.db2.gz JOVOYRNMQDYODD-GFCCVEGCSA-N 1 0 190.290 1.993 50 0 ADAARO CCc1ccc(C[C@H]2CCC[NH2+]2)nc1 4234772 342989559 /nfs/dbraw/zinc/98/95/59/342989559.db2.gz DXHITMAEHYBQOL-LLVKDONJSA-N 1 0 190.290 1.939 50 0 in-vitro ADAARO Cc1csc(C[NH2+]C(C)C)n1 4298828 342990497 /nfs/dbraw/zinc/99/04/97/342990497.db2.gz BFIRMUXOKKNHBK-UHFFFAOYSA-N 1 0 170.281 1.950 50 0 ADAARO CC(C)[NH2+]Cc1nccs1 4298826 342990537 /nfs/dbraw/zinc/99/05/37/342990537.db2.gz NMLFQGGSZUWMQJ-UHFFFAOYSA-N 1 0 156.254 1.641 50 0 ADAARO Cc1nccn1-c1ccc(C[NH3+])cc1 4343561 342990898 /nfs/dbraw/zinc/99/08/98/342990898.db2.gz JOMOQABDRBJMDQ-UHFFFAOYSA-N 1 0 187.246 1.639 50 0 in-vitro ADAARO C[C@H]1C[C@H](O)C(C)(C)[N@H+](C)C1 4343789 342990924 /nfs/dbraw/zinc/99/09/24/342990924.db2.gz INVCLHCIBAGWDL-YUMQZZPRSA-N 1 0 157.257 1.098 50 0 ADAARO C[C@H]1C[C@@H](O)C(C)(C)[N@H+](C)C1 4343791 342990958 /nfs/dbraw/zinc/99/09/58/342990958.db2.gz INVCLHCIBAGWDL-JGVFFNPUSA-N 1 0 157.257 1.098 50 0 ADAARO C[C@H]([NH3+])Cc1cccs1 4384266 342991251 /nfs/dbraw/zinc/99/12/51/342991251.db2.gz NYVQQTOGYLBBDQ-LURJTMIESA-N 1 0 141.239 1.638 50 0 in-vitro ADAARO CC[C@H]1[NH2+]CCn2c(C)ccc21 4384245 342991340 /nfs/dbraw/zinc/99/13/40/342991340.db2.gz NMOHTTFSJULSAU-SECBINFHSA-N 1 0 164.252 1.851 50 0 ADAARO CC(C)Cc1cc(C[NH3+])on1 4384417 342991346 /nfs/dbraw/zinc/99/13/46/342991346.db2.gz XQEQBJYRBWRLCS-UHFFFAOYSA-N 1 0 154.213 1.332 50 0 ADAARO CCc1[nH+]c(N(C)C)cc(N)c1C 4371558 342991403 /nfs/dbraw/zinc/99/14/03/342991403.db2.gz CHAPJXMFHHGZJG-UHFFFAOYSA-N 1 0 179.267 1.601 50 0 ADAARO Cc1nccn1-c1ccccc1C[NH3+] 4384391 342991411 /nfs/dbraw/zinc/99/14/11/342991411.db2.gz JCHDRPRQPSKZQK-UHFFFAOYSA-N 1 0 187.246 1.639 50 0 in-vitro ADAARO CC(C)[C@H]1[NH2+]CCn2cccc21 4383804 342991425 /nfs/dbraw/zinc/99/14/25/342991425.db2.gz IXSCLQGZEVLNPL-SNVBAGLBSA-N 1 0 164.252 1.788 50 0 in-vitro ADAARO Cc1ccc(OC[C@@H](O)C[NH3+])cc1C 4384446 342991437 /nfs/dbraw/zinc/99/14/37/342991437.db2.gz JQBLIPVMAVDUPH-JTQLQIEISA-N 1 0 195.262 1.002 50 0 ADAARO C[C@H]([NH3+])Cc1ccc(N(C)C)cc1 4414698 342991457 /nfs/dbraw/zinc/99/14/57/342991457.db2.gz RWZBJXQDQJZOLY-VIFPVBQESA-N 1 0 178.279 1.642 50 0 in-vitro ADAARO CC[C@@H]1[NH2+]CCn2c(C)ccc21 4384246 342991558 /nfs/dbraw/zinc/99/15/58/342991558.db2.gz NMOHTTFSJULSAU-VIFPVBQESA-N 1 0 164.252 1.851 50 0 ADAARO Cc1ccc(OC[C@H](O)C[NH3+])cc1C 4384445 342991561 /nfs/dbraw/zinc/99/15/61/342991561.db2.gz JQBLIPVMAVDUPH-SNVBAGLBSA-N 1 0 195.262 1.002 50 0 ADAARO Cc1nccn1CCC1CC[NH2+]CC1 4386665 342991576 /nfs/dbraw/zinc/99/15/76/342991576.db2.gz FPCPADMQGUJDCY-UHFFFAOYSA-N 1 0 193.294 1.581 50 0 in-vitro ADAARO CC(C)[C@@H]1[NH2+]CCn2cccc21 4383805 342991600 /nfs/dbraw/zinc/99/16/00/342991600.db2.gz IXSCLQGZEVLNPL-JTQLQIEISA-N 1 0 164.252 1.788 50 0 in-vitro ADAARO C[NH+](C)CC[S@@](=O)c1ccccc1 4466604 342991683 /nfs/dbraw/zinc/99/16/83/342991683.db2.gz COUGFVDUWCWUJI-ZDUSSCGKSA-N 1 0 197.303 1.356 50 0 ADAARO Oc1cccc(C[NH+]2CCCC2)c1 4477519 342991703 /nfs/dbraw/zinc/99/17/03/342991703.db2.gz LHXZWASTUWHFBT-UHFFFAOYSA-N 1 0 177.247 1.988 50 0 ADAARO C[C@H]([NH3+])CC[C@H]1CCCO1 4480625 342991797 /nfs/dbraw/zinc/99/17/97/342991797.db2.gz IKLKXPGCAFBANO-JGVFFNPUSA-N 1 0 143.230 1.293 50 0 in-vitro ADAARO C[C@]12CCC(=O)N1[C@@H]1CCCC[C@@H]1[NH2+]2 4488654 342991866 /nfs/dbraw/zinc/99/18/66/342991866.db2.gz QVZRIYOVGFHMGY-IQJOONFLSA-N 1 0 194.278 1.239 50 0 ADAARO C[C@]12CCC(=O)N1[C@H]1CCCC[C@@H]1[NH2+]2 4488656 342991990 /nfs/dbraw/zinc/99/19/90/342991990.db2.gz QVZRIYOVGFHMGY-ATZCPNFKSA-N 1 0 194.278 1.239 50 0 ADAARO Cc1cnc2cccc[n+]2c1C 4426424 342991997 /nfs/dbraw/zinc/99/19/97/342991997.db2.gz UVSKUXHFAAUYMP-UHFFFAOYSA-N 1 0 159.212 1.437 50 0 ADAARO C[C@H]1C[C@H](C)CC[NH2+]1 4416146 342992055 /nfs/dbraw/zinc/99/20/55/342992055.db2.gz QOZOFODNIBQPGN-RQJHMYQMSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CC[C@H]([NH2+]C)c1ccco1 4520202 342992401 /nfs/dbraw/zinc/99/24/01/342992401.db2.gz ZRFHUKXPMWQEDY-ZETCQYMHSA-N 1 0 139.198 1.950 50 0 ADAARO CC[C@@H]([NH2+]C)c1ccco1 4520203 342992445 /nfs/dbraw/zinc/99/24/45/342992445.db2.gz ZRFHUKXPMWQEDY-SSDOTTSWSA-N 1 0 139.198 1.950 50 0 ADAARO C[C@H]1C[N@H+](C)C(C)(C)C[C@@H]1O 4558123 342992662 /nfs/dbraw/zinc/99/26/62/342992662.db2.gz VCTKUJRILCIKDW-YUMQZZPRSA-N 1 0 157.257 1.098 50 0 ADAARO CC[C@H](C)[C@@H]([NH3+])C(=O)OC(C)(C)C 4556530 342992772 /nfs/dbraw/zinc/99/27/72/342992772.db2.gz DRWKBZREIMLHDX-JGVFFNPUSA-N 1 0 187.283 1.702 50 0 ADAARO CCCCSC(N)=[NH2+] 4582268 342993102 /nfs/dbraw/zinc/99/31/02/342993102.db2.gz BPMPPVUBRPXMNX-UHFFFAOYSA-N 1 0 132.232 1.413 50 0 in-vitro ADAARO CC[C@H]([NH3+])[C@H](O)c1ccc(OC)cc1 4592737 342993165 /nfs/dbraw/zinc/99/31/65/342993165.db2.gz OREUEAIDCBAECI-WDEREUQCSA-N 1 0 195.262 1.466 50 0 ADAARO CC1(C)CC(CC(N)=O)CC(C)(C)[NH2+]1 4602219 342993253 /nfs/dbraw/zinc/99/32/53/342993253.db2.gz UPRHYBDCPQLRGR-UHFFFAOYSA-N 1 0 198.310 1.419 50 0 ADAARO CC(C)[NH2+]C1CCN(C)CC1 4670185 342993481 /nfs/dbraw/zinc/99/34/81/342993481.db2.gz HFVHITFPTOELAY-UHFFFAOYSA-N 1 0 156.273 1.079 50 0 ADAARO Cc1cc(C)c(OCC[NH3+])c(C)c1 4689828 342994047 /nfs/dbraw/zinc/99/40/47/342994047.db2.gz NWFGWNKUWSKFLT-UHFFFAOYSA-N 1 0 179.263 1.949 50 0 ADAARO CC(C)[NH2+]Cc1ccc2c(c1)OCO2 4685505 342994230 /nfs/dbraw/zinc/99/42/30/342994230.db2.gz WHKUSTNUIKQFLL-UHFFFAOYSA-N 1 0 193.246 1.913 50 0 in-vitro ADAARO C[C@H](C[NH2+]CCO)c1ccccc1 4695083 342994235 /nfs/dbraw/zinc/99/42/35/342994235.db2.gz OGVXHFNUQCWBPC-SNVBAGLBSA-N 1 0 179.263 1.372 50 0 ADAARO CCc1ccc(C[NH2+]CCOC)cc1 4700582 342994281 /nfs/dbraw/zinc/99/42/81/342994281.db2.gz SGJFUYWQUDFJDW-UHFFFAOYSA-N 1 0 193.290 1.985 50 0 in-vitro ADAARO C[NH+](C)Cc1cccnc1 4716433 342994724 /nfs/dbraw/zinc/99/47/24/342994724.db2.gz SLZCOYDOFRTTHF-UHFFFAOYSA-N 1 0 136.198 1.143 50 0 in-vivo ADAARO CC1C[C@H](C)[NH2+][C@@H](C)C1 4758536 342994817 /nfs/dbraw/zinc/99/48/17/342994817.db2.gz GELXVDNNZSIRQA-YUMQZZPRSA-N 1 0 127.231 1.783 50 0 ADAARO C[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1O 4751298 342995026 /nfs/dbraw/zinc/99/50/26/342995026.db2.gz TYIUEUAUKSQXAM-IUCAKERBSA-N 1 0 171.284 1.488 50 0 ADAARO CC1C[C@@H](C)[NH2+][C@H](C)C1 4758535 342995031 /nfs/dbraw/zinc/99/50/31/342995031.db2.gz GELXVDNNZSIRQA-HTQZYQBOSA-N 1 0 127.231 1.783 50 0 ADAARO C[NH2+]CC(=O)c1ccccc1 4763126 342995112 /nfs/dbraw/zinc/99/51/12/342995112.db2.gz VVFCJVLORNFVHI-UHFFFAOYSA-N 1 0 149.193 1.089 50 0 in-vitro ADAARO C[C@H](CO)[NH2+]Cc1ccccc1 4776044 342995244 /nfs/dbraw/zinc/99/52/44/342995244.db2.gz PJXWCRXOPLGFLX-SECBINFHSA-N 1 0 165.236 1.157 50 0 in-vitro ADAARO CCc1ccc(NC(N)=[NH2+])cc1 4772996 342995325 /nfs/dbraw/zinc/99/53/25/342995325.db2.gz UOSZGPBYQCNGKB-UHFFFAOYSA-N 1 0 163.224 1.554 50 0 ADAARO C[C@H](O)C[NH2+]Cc1ccccc1 4769347 342995332 /nfs/dbraw/zinc/99/53/32/342995332.db2.gz IVPPRWDCTCLFSP-VIFPVBQESA-N 1 0 165.236 1.157 50 0 in-vitro ADAARO C[NH+](C)C[C@@H]1CCCC[C@@H]1O 4791856 342995562 /nfs/dbraw/zinc/99/55/62/342995562.db2.gz LBKGSNPSDIYPBE-IUCAKERBSA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO CCCC[NH2+]C(C)C 4792586 342995665 /nfs/dbraw/zinc/99/56/65/342995665.db2.gz OKRJGUKZYSEUOY-UHFFFAOYSA-N 1 0 115.220 1.785 50 0 in-vitro ADAARO C[NH+](C)C[C@H]1CCCC[C@@H]1O 4791857 342995704 /nfs/dbraw/zinc/99/57/04/342995704.db2.gz LBKGSNPSDIYPBE-BDAKNGLRSA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO C[C@H]1CCCCC[NH2+]1 4801855 342995813 /nfs/dbraw/zinc/99/58/13/342995813.db2.gz LGONGMXQDFYGKU-ZETCQYMHSA-N 1 0 113.204 1.539 50 0 in-vitro ADAARO C[NH+](C)C[C@@H]1CCCC[C@H]1O 4791858 342995822 /nfs/dbraw/zinc/99/58/22/342995822.db2.gz LBKGSNPSDIYPBE-DTWKUNHWSA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO C[NH+](C)CCC(=O)C(C)(C)C 4792597 342995851 /nfs/dbraw/zinc/99/58/51/342995851.db2.gz YZXDDIUXFGJNJN-UHFFFAOYSA-N 1 0 157.257 1.553 50 0 in-vitro ADAARO Cc1nc2scc[n+]2c(C)c1C 4795595 342995882 /nfs/dbraw/zinc/99/58/82/342995882.db2.gz QVEFJWFFPVIPCH-UHFFFAOYSA-N 1 0 179.268 1.807 50 0 ADAARO CC1(C)C[C@@H](CC[NH3+])CCO1 4834892 342996190 /nfs/dbraw/zinc/99/61/90/342996190.db2.gz YNLARGKXFPRJJK-QMMMGPOBSA-N 1 0 157.257 1.540 50 0 ADAARO CN1CC[N+](c2ccccc2)=N1 4823050 342996261 /nfs/dbraw/zinc/99/62/61/342996261.db2.gz DGHKCYSABADYKD-UHFFFAOYSA-N 1 0 162.216 1.516 50 0 ADAARO C[NH+](C)CCC(=O)c1ccc(F)cc1 4837055 342996555 /nfs/dbraw/zinc/99/65/55/342996555.db2.gz XYMOGNZVKMQGSM-UHFFFAOYSA-N 1 0 195.237 1.960 50 0 ADAARO CC(=O)O[C@@H]1CCC[C@@H]2[NH2+]CCC[C@@H]21 4955463 342996987 /nfs/dbraw/zinc/99/69/87/342996987.db2.gz ZBZWFZQSKTXWNB-GARJFASQSA-N 1 0 197.278 1.470 50 0 ADAARO CC(=O)O[C@@H]1CCC[C@H]2[NH2+]CCC[C@@H]21 4955457 342997060 /nfs/dbraw/zinc/99/70/60/342997060.db2.gz ZBZWFZQSKTXWNB-HBNTYKKESA-N 1 0 197.278 1.470 50 0 ADAARO C[NH2+]CC[C@H](O)c1ccccc1 4977394 342997341 /nfs/dbraw/zinc/99/73/41/342997341.db2.gz XXSDCGNHLFVSET-JTQLQIEISA-N 1 0 165.236 1.330 50 0 in-vitro ADAARO CN1C[C@H]([NH+](C)C)CCC/C=C\C1=O 4973121 342997409 /nfs/dbraw/zinc/99/74/09/342997409.db2.gz QOWWLQWXJMZYGB-BJPMOSCESA-N 1 0 196.294 1.115 50 0 ADAARO CN1C[C@@H]([NH+](C)C)CCC/C=C\C1=O 4973122 342997449 /nfs/dbraw/zinc/99/74/49/342997449.db2.gz QOWWLQWXJMZYGB-ZEBCKKTISA-N 1 0 196.294 1.115 50 0 ADAARO C[NH2+]CCOc1ccccc1OC 4975335 342997469 /nfs/dbraw/zinc/99/74/69/342997469.db2.gz VOIPEKOXTFLQNY-UHFFFAOYSA-N 1 0 181.235 1.293 50 0 in-vitro ADAARO C[C@H]1CC[C@H]([NH+]2CCOCC2)C1 4996384 342997750 /nfs/dbraw/zinc/99/77/50/342997750.db2.gz VMTJNPYTOIGCFE-UWVGGRQHSA-N 1 0 169.268 1.507 50 0 ADAARO CC1(C)CCC[NH2+]C1 4992570 342997820 /nfs/dbraw/zinc/99/78/20/342997820.db2.gz CDODDZJCEADUQQ-UHFFFAOYSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO CC(C)c1cc(C[NH3+])on1 4992730 342997828 /nfs/dbraw/zinc/99/78/28/342997828.db2.gz MKXNIPKWBZUUAJ-UHFFFAOYSA-N 1 0 140.186 1.257 50 0 in-vitro ADAARO Cc1cc(C)n(C[C@H](C)C[NH3+])n1 4992789 342997853 /nfs/dbraw/zinc/99/78/53/342997853.db2.gz GWBNJWRTQWHBAR-SSDOTTSWSA-N 1 0 167.256 1.095 50 0 in-vitro ADAARO CC[C@H]([NH3+])c1ccc2c(c1)OCCO2 4992679 342997855 /nfs/dbraw/zinc/99/78/55/342997855.db2.gz XFJGCUXFYPRSMB-VIFPVBQESA-N 1 0 193.246 1.868 50 0 in-vitro ADAARO C[NH+](C)CCCn1cccc1C=O 4989904 342997923 /nfs/dbraw/zinc/99/79/23/342997923.db2.gz CXHRNLNKUUWZGS-UHFFFAOYSA-N 1 0 180.251 1.252 50 0 ADAARO CCC[NH2+]C[C@H]1CCCO1 4992643 342997938 /nfs/dbraw/zinc/99/79/38/342997938.db2.gz IKOSVGABACUJCD-MRVPVSSYSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO Cc1cc(C)n(C[C@@H](C)C[NH3+])n1 4992788 342997945 /nfs/dbraw/zinc/99/79/45/342997945.db2.gz GWBNJWRTQWHBAR-ZETCQYMHSA-N 1 0 167.256 1.095 50 0 in-vitro ADAARO CC[C@@H]([NH3+])c1ccc2c(c1)OCCO2 4992680 342997954 /nfs/dbraw/zinc/99/79/54/342997954.db2.gz XFJGCUXFYPRSMB-SECBINFHSA-N 1 0 193.246 1.868 50 0 in-vitro ADAARO C[NH2+]CCCc1nc2ccccc2[nH]1 4992656 342997959 /nfs/dbraw/zinc/99/79/59/342997959.db2.gz VMZCBGQDEWCDBV-UHFFFAOYSA-N 1 0 189.262 1.715 50 0 ADAARO C[C@H]1CC[C@@H]([NH+]2CCOCC2)C1 4996386 342997972 /nfs/dbraw/zinc/99/79/72/342997972.db2.gz VMTJNPYTOIGCFE-VHSXEESVSA-N 1 0 169.268 1.507 50 0 ADAARO CCC[NH2+]C[C@@H]1CCCO1 4992642 342998002 /nfs/dbraw/zinc/99/80/02/342998002.db2.gz IKOSVGABACUJCD-QMMMGPOBSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO CC(C)Nc1cc[nH+]cc1N 5024729 342998398 /nfs/dbraw/zinc/99/83/98/342998398.db2.gz GWZGKUKHGGUWGK-UHFFFAOYSA-N 1 0 151.213 1.484 50 0 ADAARO CC(C)[NH2+]Cc1ccccn1 5138356 342999074 /nfs/dbraw/zinc/99/90/74/342999074.db2.gz YDCNZMOBAPTYRB-UHFFFAOYSA-N 1 0 150.225 1.580 50 0 in-vitro ADAARO CCCC[NH2+]Cc1ccccn1 5138960 342999251 /nfs/dbraw/zinc/99/92/51/342999251.db2.gz YIHVRGYQUTZXNL-UHFFFAOYSA-N 1 0 164.252 1.971 50 0 in-vitro ADAARO C[NH+](C)CCCn1cccc1 5183732 342999448 /nfs/dbraw/zinc/99/94/48/342999448.db2.gz QPBDSGPTFHQSKN-UHFFFAOYSA-N 1 0 152.241 1.440 50 0 ADAARO Cc1cc(C)[n+]2cccc(C)c2n1 5165596 342999458 /nfs/dbraw/zinc/99/94/58/342999458.db2.gz CJWOYWXJDRKESS-UHFFFAOYSA-N 1 0 173.239 1.746 50 0 ADAARO CC1(C)C[C@H](O)C[C@@](C)(C[NH3+])C1 5190921 342999616 /nfs/dbraw/zinc/99/96/16/342999616.db2.gz YFEAYNIMJBHJCM-WCBMZHEXSA-N 1 0 171.284 1.522 50 0 ADAARO CCc1ccc(C)[nH+]c1N 5197379 342999843 /nfs/dbraw/zinc/99/98/43/342999843.db2.gz OQNDNGDJFBXUID-UHFFFAOYSA-N 1 0 136.198 1.535 50 0 in-vitro ADAARO CCC(=O)[C@@H]1CCCC[NH2+]1 5202740 342999848 /nfs/dbraw/zinc/99/98/48/342999848.db2.gz FDOBDBWYWMTMKT-ZETCQYMHSA-N 1 0 141.214 1.108 50 0 endogenous,in-man ADAARO CC1(C)C[C@@H](O)C[C@@](C)(C[NH3+])C1 5190948 342999861 /nfs/dbraw/zinc/99/98/61/342999861.db2.gz YFEAYNIMJBHJCM-PSASIEDQSA-N 1 0 171.284 1.522 50 0 ADAARO CCc1cc[nH+]c(N)c1 5197422 342999872 /nfs/dbraw/zinc/99/98/72/342999872.db2.gz SJWHILBZPGQBJE-UHFFFAOYSA-N 1 0 122.171 1.226 50 0 in-vitro ADAARO CCc1cccc(N)[nH+]1 5197414 342999908 /nfs/dbraw/zinc/99/99/08/342999908.db2.gz JXKAUUVMXZIJNZ-UHFFFAOYSA-N 1 0 122.171 1.226 50 0 in-vitro ADAARO C[C@H]1CCCC[NH2+]1 5226596 343000131 /nfs/dbraw/zinc/00/01/31/343000131.db2.gz NNWUEBIEOFQMSS-LURJTMIESA-N 1 0 99.177 1.148 50 0 endogenous,in-man ADAARO CC(C)=C[n+]1nn(C)c2ccccc21 5283312 343000201 /nfs/dbraw/zinc/00/02/01/343000201.db2.gz UXFTXXMGXBIGET-UHFFFAOYSA-N 1 0 188.254 1.742 50 0 ADAARO C[NH+]=C1NC(C)=CC(C)(C)S1 5306000 343000717 /nfs/dbraw/zinc/00/07/17/343000717.db2.gz GETOVGWHAFRGPH-UHFFFAOYSA-N 1 0 170.281 1.991 50 0 ADAARO CN(CC[NH3+])c1ccc(Cl)cc1 5318306 343001180 /nfs/dbraw/zinc/00/11/80/343001180.db2.gz NEUAPOAFUOOCQR-UHFFFAOYSA-N 1 0 184.670 1.735 50 0 ADAARO C[NH+](C)C[C@@H](O)c1ccccc1 5342265 343001439 /nfs/dbraw/zinc/00/14/39/343001439.db2.gz FUKFNSSCQOYPRM-SNVBAGLBSA-N 1 0 165.236 1.282 50 0 ADAARO C[NH+](C)C[C@H](O)c1ccccc1 5342254 343001507 /nfs/dbraw/zinc/00/15/07/343001507.db2.gz FUKFNSSCQOYPRM-JTQLQIEISA-N 1 0 165.236 1.282 50 0 ADAARO CCc1ccc(C[NH3+])s1 5341678 343001604 /nfs/dbraw/zinc/00/16/04/343001604.db2.gz YHFOIHQJJZYQHZ-UHFFFAOYSA-N 1 0 141.239 1.769 50 0 in-vitro ADAARO CCCC[NH2+]CCOC 5419880 343002305 /nfs/dbraw/zinc/00/23/05/343002305.db2.gz KBFNFQKDHFXGNQ-UHFFFAOYSA-N 1 0 131.219 1.023 50 0 in-vitro ADAARO Cc1ccc(C[NH3+])s1 5417705 343002383 /nfs/dbraw/zinc/00/23/83/343002383.db2.gz XCBYYXLOEBELSB-UHFFFAOYSA-N 1 0 127.212 1.515 50 0 in-vitro ADAARO Cc1ccc2c(c1)[C@H](O)[C@H]([NH3+])CCO2 5440388 343002672 /nfs/dbraw/zinc/00/26/72/343002672.db2.gz ZGNVTNRACNXYEB-KOLCDFICSA-N 1 0 193.246 1.138 50 0 ADAARO Cc1ccc2c(c1)[C@@H](O)[C@@H]([NH3+])CCO2 5440390 343002696 /nfs/dbraw/zinc/00/26/96/343002696.db2.gz ZGNVTNRACNXYEB-GXSJLCMTSA-N 1 0 193.246 1.138 50 0 ADAARO CCC(C)(C)[NH2+]C 5459787 343002977 /nfs/dbraw/zinc/00/29/77/343002977.db2.gz BUJFTKPQXSIZFX-UHFFFAOYSA-N 1 0 101.193 1.394 50 0 in-vitro ADAARO C[N@H+](CCO)C1CCCCC1 5599779 343005447 /nfs/dbraw/zinc/00/54/47/343005447.db2.gz DSDSZHUBHNTFNX-UHFFFAOYSA-N 1 0 157.257 1.243 50 0 in-vitro ADAARO CCC[NH2+]C(C)C 5647813 343005697 /nfs/dbraw/zinc/00/56/97/343005697.db2.gz VLSTXUUYLIALPB-UHFFFAOYSA-N 1 0 101.193 1.394 50 0 in-vitro ADAARO Cc1ccc(NC(=O)[C@H](C)[NH3+])cc1 5751907 343007620 /nfs/dbraw/zinc/00/76/20/343007620.db2.gz NUCATNXWTKMKFU-QMMMGPOBSA-N 1 0 178.235 1.281 50 0 ADAARO CC1=C[C@@H](O)N(c2cccc(C)c2)[NH2+]1 5755478 343007640 /nfs/dbraw/zinc/00/76/40/343007640.db2.gz DJLAIKMUFDTOFD-LLVKDONJSA-N 1 0 190.246 1.542 50 0 ADAARO Cc1ccc([C@]23C[NH2+]C[C@H]2C3)cc1 5781680 343008340 /nfs/dbraw/zinc/00/83/40/343008340.db2.gz OFYVIGTWSQPCLF-NEPJUHHUSA-N 1 0 173.259 1.856 50 0 investigational ADAARO Cc1ccc2[nH]c([C@@H](C)[NH3+])nc2c1 5818427 343008487 /nfs/dbraw/zinc/00/84/87/343008487.db2.gz ZMZOHCIPMNHJEF-SSDOTTSWSA-N 1 0 175.235 1.891 50 0 in-vitro ADAARO Cc1ccc2c(c1)C[NH2+]CC2 5815118 343008652 /nfs/dbraw/zinc/00/86/52/343008652.db2.gz FCTMZZUXBMQAER-UHFFFAOYSA-N 1 0 147.221 1.641 50 0 in-vitro ADAARO Cc1ccc2[nH]c([C@H](C)[NH3+])nc2c1 5818436 343008657 /nfs/dbraw/zinc/00/86/57/343008657.db2.gz ZMZOHCIPMNHJEF-ZETCQYMHSA-N 1 0 175.235 1.891 50 0 in-vitro ADAARO Cc1ccc2[nH]c(CC[NH3+])nc2c1 5818387 343008694 /nfs/dbraw/zinc/00/86/94/343008694.db2.gz BQXLLXSCNRJESI-UHFFFAOYSA-N 1 0 175.235 1.373 50 0 in-vitro ADAARO CC[C@@H](CO)[NH2+]Cc1ccc(C)cc1 5907668 343009457 /nfs/dbraw/zinc/00/94/57/343009457.db2.gz FNVZESNQKGUUGN-LBPRGKRZSA-N 1 0 193.290 1.856 50 0 in-vitro ADAARO C[C@H](O)C[NH2+]Cc1ccc(Cl)cc1 5911922 343009471 /nfs/dbraw/zinc/00/94/71/343009471.db2.gz QVSYPVHTTIDEPQ-QMMMGPOBSA-N 1 0 199.681 1.810 50 0 ADAARO C[NH2+]CCCc1ccc(OC)cc1 5921192 343009543 /nfs/dbraw/zinc/00/95/43/343009543.db2.gz UHXHHIAYNSRNOI-UHFFFAOYSA-N 1 0 179.263 1.847 50 0 in-vitro ADAARO CC[C@H](CO)[NH2+]Cc1ccccc1 5908194 343009575 /nfs/dbraw/zinc/00/95/75/343009575.db2.gz PGFBTQBTIYCCFJ-LLVKDONJSA-N 1 0 179.263 1.547 50 0 in-vitro ADAARO CCc1ccccc1OCC[NH2+]C 5911937 343009590 /nfs/dbraw/zinc/00/95/90/343009590.db2.gz VIKWYIGBGCPHGN-UHFFFAOYSA-N 1 0 179.263 1.847 50 0 ADAARO CC[C@@H](CO)[NH2+]Cc1ccc(F)cc1 5907669 343009621 /nfs/dbraw/zinc/00/96/21/343009621.db2.gz CSFUDWGDTZOTJO-NSHDSACASA-N 1 0 197.253 1.686 50 0 ADAARO CC[C@H](CO)[NH2+]Cc1ccc(F)cc1 5908179 343009649 /nfs/dbraw/zinc/00/96/49/343009649.db2.gz CSFUDWGDTZOTJO-LLVKDONJSA-N 1 0 197.253 1.686 50 0 ADAARO CCC1(CC)C(=[NH2+])NC(=[NH2+])N=C1[O-] 5903959 343009720 /nfs/dbraw/zinc/00/97/20/343009720.db2.gz UTKYSCVAWIDUDV-UHFFFAOYSA-N 1 0 182.227 1.265 50 0 ADAARO CC[C@@H](CO)[NH2+]Cc1ccc(C)s1 5907672 343009785 /nfs/dbraw/zinc/00/97/85/343009785.db2.gz ADXRTVOBINTIFG-VIFPVBQESA-N 1 0 199.319 1.917 50 0 ADAARO CC[C@H](C)[NH2+]C 5924893 343009891 /nfs/dbraw/zinc/00/98/91/343009891.db2.gz PYFSCIWXNSXGNS-YFKPBYRVSA-N 1 0 87.166 1.004 50 0 in-vitro ADAARO C[NH+](C)CC1=CC=CC1 5957466 343010336 /nfs/dbraw/zinc/01/03/36/343010336.db2.gz HJTTXGXLFGIZLZ-UHFFFAOYSA-N 1 0 123.199 1.434 50 0 in-vitro ADAARO Cc1ccc(C[NH2+]C(C)(C)CO)s1 5969510 343010631 /nfs/dbraw/zinc/01/06/31/343010631.db2.gz OFSXVWYVDKFVSA-UHFFFAOYSA-N 1 0 199.319 1.917 50 0 ADAARO Cc1ccc(C[NH2+]C[C@@H](C)O)cc1 5968381 343010842 /nfs/dbraw/zinc/01/08/42/343010842.db2.gz MDIOFOMFSMYXLT-SNVBAGLBSA-N 1 0 179.263 1.465 50 0 ADAARO Cc1ccc(C[NH2+]C[C@H](C)O)cc1 5968383 343010880 /nfs/dbraw/zinc/01/08/80/343010880.db2.gz MDIOFOMFSMYXLT-JTQLQIEISA-N 1 0 179.263 1.465 50 0 ADAARO C[NH2+]CC(Cl)Cl 5996297 343010886 /nfs/dbraw/zinc/01/08/86/343010886.db2.gz GXMBXAFPYICUDZ-UHFFFAOYSA-N 1 0 128.002 1.010 50 0 ADAARO C[NH2+]C/C=C/c1ccccc1 5996281 343010920 /nfs/dbraw/zinc/01/09/20/343010920.db2.gz RHPMSSCVPPONDM-VMPITWQZSA-N 1 0 147.221 1.919 50 0 in-vitro ADAARO CCC(=O)[C@H]1CCCC[NH2+]1 5964796 343010926 /nfs/dbraw/zinc/01/09/26/343010926.db2.gz FDOBDBWYWMTMKT-SSDOTTSWSA-N 1 0 141.214 1.108 50 0 endogenous,in-man ADAARO Cn1ccnc1SCC[NH+](C)C 5988642 343010960 /nfs/dbraw/zinc/01/09/60/343010960.db2.gz WNGRRHLPPFLBHF-UHFFFAOYSA-N 1 0 185.296 1.074 50 0 ADAARO C[NH2+]CC1CCCCC1 5996305 343010997 /nfs/dbraw/zinc/01/09/97/343010997.db2.gz IWHLPMBLJZJCJK-UHFFFAOYSA-N 1 0 127.231 1.786 50 0 ADAARO C[C@H]([NH3+])Cc1cccc(F)c1 6021020 343011088 /nfs/dbraw/zinc/01/10/88/343011088.db2.gz PIOCLGPCMNPZFT-ZETCQYMHSA-N 1 0 153.200 1.715 50 0 in-vitro ADAARO C[C@H]([NH3+])CCc1ccc2c(c1)OCO2 6020670 343011116 /nfs/dbraw/zinc/01/11/16/343011116.db2.gz LWUIKWNECJUNDA-QMMMGPOBSA-N 1 0 193.246 1.695 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccccc1 6030374 343011468 /nfs/dbraw/zinc/01/14/68/343011468.db2.gz RQEUFEKYXDPUSK-ZETCQYMHSA-N 1 0 121.183 1.706 50 0 endogenous,in-man ADAARO C[C@H]1C[NH2+]C[C@H](C)S1 6037863 343011810 /nfs/dbraw/zinc/01/18/10/343011810.db2.gz HEFKKYCXFOTNTB-WDSKDSINSA-N 1 0 131.244 1.100 50 0 in-vitro ADAARO CC(C)OC=[NH2+] 6049738 343011959 /nfs/dbraw/zinc/01/19/59/343011959.db2.gz WTUJMUAZXUEIEM-UHFFFAOYSA-N 1 0 87.122 1.018 50 0 ADAARO C[C@H]1C[C@H](C(=O)OC(C)(C)C)CC[NH2+]1 6199926 343013131 /nfs/dbraw/zinc/01/31/31/343013131.db2.gz HFBOJERZOWTWDR-DTWKUNHWSA-N 1 0 199.294 1.716 50 0 ADAARO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CC[NH2+]1 6199956 343013138 /nfs/dbraw/zinc/01/31/38/343013138.db2.gz HFBOJERZOWTWDR-IUCAKERBSA-N 1 0 199.294 1.716 50 0 ADAARO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CC[NH2+]1 6175736 343013214 /nfs/dbraw/zinc/01/32/14/343013214.db2.gz HFBOJERZOWTWDR-RKDXNWHRSA-N 1 0 199.294 1.716 50 0 ADAARO CC[C@H](O)C[NH+](CC)CC 6224297 343013231 /nfs/dbraw/zinc/01/32/31/343013231.db2.gz MYEXJQKKWOPGGE-QMMMGPOBSA-N 1 0 145.246 1.099 50 0 ADAARO Cc1nc2ccccc2n1CCC[NH3+] 6188043 343013305 /nfs/dbraw/zinc/01/33/05/343013305.db2.gz MEULDBLUXYRLCE-UHFFFAOYSA-N 1 0 189.262 1.694 50 0 in-vitro ADAARO Cc1ncc([C@H](C)[NH3+])s1 11760650 343024383 /nfs/dbraw/zinc/02/43/83/343024383.db2.gz KFBMUDZSWMAOGG-BYPYZUCNSA-N 1 0 142.227 1.471 50 0 ADAARO C[C@H]([NH3+])[C@H](O)c1ccc(F)cc1 6487403 343014668 /nfs/dbraw/zinc/01/46/68/343014668.db2.gz NFIUKBOGCIKNNF-RCOVLWMOSA-N 1 0 169.199 1.206 50 0 in-vitro ADAARO C[N@@H+]1CC[C@H]2Nc3ccccc3[C@H]2C1 6520318 343015111 /nfs/dbraw/zinc/01/51/11/343015111.db2.gz KDOLICPJGKZRKU-ZYHUDNBSSA-N 1 0 188.274 1.900 50 0 ADAARO CCCC[C@H]1CC[NH2+]C1 6658221 343015495 /nfs/dbraw/zinc/01/54/95/343015495.db2.gz KJQYMASXDMSGQU-QMMMGPOBSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO Cc1[nH+]cn2ccccc12 6664401 343015826 /nfs/dbraw/zinc/01/58/26/343015826.db2.gz FSEDFOMIQFYQCU-UHFFFAOYSA-N 1 0 132.166 1.643 50 0 ADAARO C[NH2+]CCCOc1ccc(OC)cc1 6681874 343015896 /nfs/dbraw/zinc/01/58/96/343015896.db2.gz LYIVXPJPEPNDIO-UHFFFAOYSA-N 1 0 195.262 1.684 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cccc(N)c1 6732176 343015950 /nfs/dbraw/zinc/01/59/50/343015950.db2.gz MBWYRMCXWROJMP-LURJTMIESA-N 1 0 136.198 1.289 50 0 ADAARO C[NH2+]CCCOc1ccccc1C 6681865 343015997 /nfs/dbraw/zinc/01/59/97/343015997.db2.gz GSTYRDQDZUDPOX-UHFFFAOYSA-N 1 0 179.263 1.983 50 0 in-vitro ADAARO C[NH2+]CCOc1ccc(C)c(C)c1 6681868 343016000 /nfs/dbraw/zinc/01/60/00/343016000.db2.gz UKOUFDCGERJMEM-UHFFFAOYSA-N 1 0 179.263 1.902 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc(N)cc1 6732180 343016044 /nfs/dbraw/zinc/01/60/44/343016044.db2.gz CDSPOZXUDJUBEZ-LURJTMIESA-N 1 0 136.198 1.289 50 0 in-vitro ADAARO CC(C)c1nccn1CCC[NH3+] 6677618 343016055 /nfs/dbraw/zinc/01/60/55/343016055.db2.gz BRPFJVKASKRWNZ-UHFFFAOYSA-N 1 0 167.256 1.355 50 0 in-vitro ADAARO Cc1cc(N)c(C)c[nH+]1 6796559 343016500 /nfs/dbraw/zinc/01/65/00/343016500.db2.gz KQCWCIYVDIVYAB-UHFFFAOYSA-N 1 0 122.171 1.281 50 0 in-vitro ADAARO CCC[NH2+]Cc1ccccn1 6869113 343016737 /nfs/dbraw/zinc/01/67/37/343016737.db2.gz OXWGLVVRVXFLHN-UHFFFAOYSA-N 1 0 150.225 1.581 50 0 in-vitro ADAARO CCCC[NH2+]Cc1cccnc1 6868985 343016805 /nfs/dbraw/zinc/01/68/05/343016805.db2.gz VWXAXLILGBPMJP-UHFFFAOYSA-N 1 0 164.252 1.971 50 0 in-vitro ADAARO CCC[NH2+]Cc1cccnc1 6869115 343016964 /nfs/dbraw/zinc/01/69/64/343016964.db2.gz GCBOUAABYXKHIS-UHFFFAOYSA-N 1 0 150.225 1.581 50 0 in-vitro ADAARO CC[C@@H](CO)[NH2+]Cc1ccco1 7519342 343017268 /nfs/dbraw/zinc/01/72/68/343017268.db2.gz BCWSSYQZJXXNJK-QMMMGPOBSA-N 1 0 169.224 1.140 50 0 in-vitro ADAARO CC[C@H](CO)[NH2+]Cc1ccco1 7519354 343017377 /nfs/dbraw/zinc/01/73/77/343017377.db2.gz BCWSSYQZJXXNJK-MRVPVSSYSA-N 1 0 169.224 1.140 50 0 in-vitro ADAARO CC[C@H](CO)[NH2+]Cc1ccsc1 7524986 343017879 /nfs/dbraw/zinc/01/78/79/343017879.db2.gz DYSPYWBKPREQBV-SECBINFHSA-N 1 0 185.292 1.609 50 0 in-vitro ADAARO Cc1nc(CC[NH3+])sc1C 7952314 343017884 /nfs/dbraw/zinc/01/78/84/343017884.db2.gz GFCRMFXEIQUDDE-UHFFFAOYSA-N 1 0 156.254 1.261 50 0 in-vitro ADAARO CC[C@@H](CO)[NH2+]Cc1ccsc1 7524984 343017944 /nfs/dbraw/zinc/01/79/44/343017944.db2.gz DYSPYWBKPREQBV-VIFPVBQESA-N 1 0 185.292 1.609 50 0 in-vitro ADAARO CC[C@@H](CO)[NH2+]Cc1ccccc1C 8326397 343018145 /nfs/dbraw/zinc/01/81/45/343018145.db2.gz ZWOWTFQPEAUPJG-LBPRGKRZSA-N 1 0 193.290 1.856 50 0 in-vitro ADAARO CCc1oc(C(=O)OC)cc1C[NH3+] 8306534 343018274 /nfs/dbraw/zinc/01/82/74/343018274.db2.gz KBTHKVCYVZYWSJ-UHFFFAOYSA-N 1 0 183.207 1.087 50 0 ADAARO Cc1ccc([C@@H]2C[NH2+]CCO2)cc1 8318650 343018299 /nfs/dbraw/zinc/01/82/99/343018299.db2.gz XGHVNCBSWLLQCP-NSHDSACASA-N 1 0 177.247 1.656 50 0 in-vitro ADAARO CC[C@H](CO)[NH2+]Cc1ccccc1C 8337134 343018343 /nfs/dbraw/zinc/01/83/43/343018343.db2.gz ZWOWTFQPEAUPJG-GFCCVEGCSA-N 1 0 193.290 1.856 50 0 in-vitro ADAARO Cc1ccc(C[NH2+]CCO)s1 8551025 343018722 /nfs/dbraw/zinc/01/87/22/343018722.db2.gz CPRWEWWOBOJKMQ-UHFFFAOYSA-N 1 0 171.265 1.138 50 0 in-vitro ADAARO CC(C)c1nc(C[NH3+])cs1 8614792 343019046 /nfs/dbraw/zinc/01/90/46/343019046.db2.gz QSQQYISWPMYXSF-UHFFFAOYSA-N 1 0 156.254 1.725 50 0 in-vitro ADAARO Cc1c[nH+]cc(Br)c1N 8698207 343019417 /nfs/dbraw/zinc/01/94/17/343019417.db2.gz GUAFGBUKLIFASX-UHFFFAOYSA-N 1 0 187.040 1.735 50 0 in-vitro ADAARO Cc1c[nH+]cc(Cl)c1N 8698208 343019534 /nfs/dbraw/zinc/01/95/34/343019534.db2.gz GLKVMXXYMNTCJX-UHFFFAOYSA-N 1 0 142.589 1.626 50 0 in-vitro ADAARO Cc1cc(N)c(Br)c[nH+]1 8698210 343019646 /nfs/dbraw/zinc/01/96/46/343019646.db2.gz JZWNYHXYPFJLFX-UHFFFAOYSA-N 1 0 187.040 1.735 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cc(F)cc(F)c1 8698301 343019658 /nfs/dbraw/zinc/01/96/58/343019658.db2.gz XTIXPIMMHGCRJD-YFKPBYRVSA-N 1 0 157.163 1.985 50 0 in-vitro ADAARO CC(C)Nc1[nH+]ccn1C 8699735 343019929 /nfs/dbraw/zinc/01/99/29/343019929.db2.gz CHDZUOYFDBMNLI-UHFFFAOYSA-N 1 0 139.202 1.240 50 0 in-vitro ADAARO CCC(CC)CC[NH3+] 8728854 343020386 /nfs/dbraw/zinc/02/03/86/343020386.db2.gz ICXOGAOKYGLFHU-UHFFFAOYSA-N 1 0 115.220 1.771 50 0 in-vitro ADAARO CCCCN(C)C(=O)C1CC[NH2+]CC1 8727455 343020456 /nfs/dbraw/zinc/02/04/56/343020456.db2.gz YWDIUQYPFNPADD-UHFFFAOYSA-N 1 0 198.310 1.245 50 0 in-vitro ADAARO Cc1ccc(NC(=O)CC[NH3+])cc1C 8732990 343020541 /nfs/dbraw/zinc/02/05/41/343020541.db2.gz JJNYXDKGMHGNRH-UHFFFAOYSA-N 1 0 192.262 1.591 50 0 ADAARO Cc1ccc(C)c(NC(=O)CC[NH3+])c1 8732981 343020553 /nfs/dbraw/zinc/02/05/53/343020553.db2.gz UDUVTUJQQMGOML-UHFFFAOYSA-N 1 0 192.262 1.591 50 0 in-vitro ADAARO Cc1ccc(C2([NH3+])CC2)cc1 8737726 343020595 /nfs/dbraw/zinc/02/05/95/343020595.db2.gz UHXDLMRMRJQZPC-UHFFFAOYSA-N 1 0 147.221 1.943 50 0 in-vitro ADAARO CCn1nc(C)c(CC[NH2+]C)c1C 8733272 343020652 /nfs/dbraw/zinc/02/06/52/343020652.db2.gz NEXIZBOKORPSRK-UHFFFAOYSA-N 1 0 181.283 1.282 50 0 in-vitro ADAARO Cc1cccc(NC(=O)CC[NH3+])c1 8732978 343020798 /nfs/dbraw/zinc/02/07/98/343020798.db2.gz LGYCNXKSYZLYBG-UHFFFAOYSA-N 1 0 178.235 1.282 50 0 ADAARO CCc1ccc(NC(=O)CC[NH3+])cc1 8732982 343020833 /nfs/dbraw/zinc/02/08/33/343020833.db2.gz PJZOFSBGQCPJQT-UHFFFAOYSA-N 1 0 192.262 1.536 50 0 ADAARO C[NH2+]CCOc1ccc(C)cc1OC 9230391 343021032 /nfs/dbraw/zinc/02/10/32/343021032.db2.gz ASSYXKWFYJHTBA-UHFFFAOYSA-N 1 0 195.262 1.602 50 0 ADAARO [NH3+]CC1(O)CCCCCC1 14806592 343040141 /nfs/dbraw/zinc/04/01/41/343040141.db2.gz ZOIJDKLCFSGRFF-UHFFFAOYSA-N 1 0 143.230 1.030 50 0 in-vitro ADAARO Cc1ccc(C=O)n1-c1cc[nH+]cc1 9261683 343021571 /nfs/dbraw/zinc/02/15/71/343021571.db2.gz LXIMSMUEHXONBW-UHFFFAOYSA-N 1 0 186.214 1.993 50 0 ADAARO C[NH2+]CCOc1cccc(C)c1C 9246074 343021603 /nfs/dbraw/zinc/02/16/03/343021603.db2.gz SOEQZXDZSJNKIA-UHFFFAOYSA-N 1 0 179.263 1.902 50 0 ADAARO C[NH2+]CCOc1ccc(C)cc1C 9246075 343021743 /nfs/dbraw/zinc/02/17/43/343021743.db2.gz VKPQWPROAMZZCA-UHFFFAOYSA-N 1 0 179.263 1.902 50 0 in-vitro ADAARO Cc1cc(C)c2[nH]c(N)[nH+]c2c1 10381470 343022016 /nfs/dbraw/zinc/02/20/16/343022016.db2.gz RIBRJYQGDNOFEF-UHFFFAOYSA-N 1 0 161.208 1.762 50 0 ADAARO CC(C)[NH2+]Cc1ccncc1 10315428 343022185 /nfs/dbraw/zinc/02/21/85/343022185.db2.gz WRVHNIRQQJQUBS-UHFFFAOYSA-N 1 0 150.225 1.580 50 0 ADAARO C[NH+](C)CCNc1ccccc1N 10037803 343022216 /nfs/dbraw/zinc/02/22/16/343022216.db2.gz YMYPZBOBAISUFL-UHFFFAOYSA-N 1 0 179.267 1.242 50 0 ADAARO C[NH2+]CCOc1cccc(F)c1 10283253 343022237 /nfs/dbraw/zinc/02/22/37/343022237.db2.gz WFOXAIJLPLVEMI-UHFFFAOYSA-N 1 0 169.199 1.424 50 0 in-vitro ADAARO C[C@H](O)C[NH2+]CCc1ccccc1 10474603 343022442 /nfs/dbraw/zinc/02/24/42/343022442.db2.gz UCXKJWYAKBQNFK-JTQLQIEISA-N 1 0 179.263 1.200 50 0 ADAARO CC[C@@H](CO)[NH2+]CC1CCCCC1 10474405 343022456 /nfs/dbraw/zinc/02/24/56/343022456.db2.gz FKTXWIOLQIBLKJ-NSHDSACASA-N 1 0 185.311 1.927 50 0 ADAARO C[C@H](O)C[NH2+]CC1CCCCC1 10474623 343022470 /nfs/dbraw/zinc/02/24/70/343022470.db2.gz KGKWYIGOZOCLGK-VIFPVBQESA-N 1 0 171.284 1.537 50 0 ADAARO Cc1csc2nc(CC[NH3+])cn12 11567002 343022502 /nfs/dbraw/zinc/02/25/02/343022502.db2.gz ZIZPVENIXDLEFZ-UHFFFAOYSA-N 1 0 181.264 1.205 50 0 ADAARO Cc1nc2ccccn2c1C[NH3+] 11570024 343022551 /nfs/dbraw/zinc/02/25/51/343022551.db2.gz XMHJAFWCJJRDBR-UHFFFAOYSA-N 1 0 161.208 1.101 50 0 in-vitro ADAARO C[C@]1(C[NH3+])COc2ccccc2O1 11568432 343022606 /nfs/dbraw/zinc/02/26/06/343022606.db2.gz WLYCDJUUOAIBNZ-JTQLQIEISA-N 1 0 179.219 1.175 50 0 in-vitro ADAARO CC[C@H](CO)[NH2+]CC1CCCCC1 10474408 343022607 /nfs/dbraw/zinc/02/26/07/343022607.db2.gz FKTXWIOLQIBLKJ-LLVKDONJSA-N 1 0 185.311 1.927 50 0 ADAARO CCn1c(CC[NH3+])nc2ccccc21 11567878 343022614 /nfs/dbraw/zinc/02/26/14/343022614.db2.gz OUZBQYGEPNWECV-UHFFFAOYSA-N 1 0 189.262 1.557 50 0 in-vitro ADAARO Cc1ccc2c(c1)nc(CC[NH3+])n2C 11567875 343022615 /nfs/dbraw/zinc/02/26/15/343022615.db2.gz FXMDYAUMFAPUCR-UHFFFAOYSA-N 1 0 189.262 1.383 50 0 in-vitro ADAARO CC[C@H]([NH3+])c1nccs1 11631718 343023489 /nfs/dbraw/zinc/02/34/89/343023489.db2.gz YKGZPHYTHVAUGN-YFKPBYRVSA-N 1 0 142.227 1.553 50 0 in-vitro ADAARO C[NH+](C)CCc1ccccc1N 11570452 343022964 /nfs/dbraw/zinc/02/29/64/343022964.db2.gz WHXXEJQDOXRHLY-UHFFFAOYSA-N 1 0 164.252 1.373 50 0 ADAARO Cc1ccc2c(c1)CC[NH2+]C2 11597000 343022968 /nfs/dbraw/zinc/02/29/68/343022968.db2.gz JQOUGGPGOWRLPX-UHFFFAOYSA-N 1 0 147.221 1.641 50 0 in-vitro ADAARO CCc1csc([C@H](C)[NH3+])n1 11631706 343023341 /nfs/dbraw/zinc/02/33/41/343023341.db2.gz FRKCDCJHZCSUGG-YFKPBYRVSA-N 1 0 156.254 1.725 50 0 ADAARO Cc1nc([C@H](C)[NH3+])sc1C 11631704 343023376 /nfs/dbraw/zinc/02/33/76/343023376.db2.gz VZQYBPGNBCABSI-BYPYZUCNSA-N 1 0 156.254 1.780 50 0 ADAARO CCc1csc(C[NH3+])n1 11631692 343023419 /nfs/dbraw/zinc/02/34/19/343023419.db2.gz SQRZCRXLKZMSIU-UHFFFAOYSA-N 1 0 142.227 1.164 50 0 ADAARO C[C@H]1CCc2nc(C[NH3+])sc2C1 11631696 343023430 /nfs/dbraw/zinc/02/34/30/343023430.db2.gz BQHQALLUQDVGFA-LURJTMIESA-N 1 0 182.292 1.727 50 0 ADAARO Cc1nc(C[NH3+])sc1C 11631691 343023478 /nfs/dbraw/zinc/02/34/78/343023478.db2.gz XWWBHCPDGYDNTH-UHFFFAOYSA-N 1 0 142.227 1.219 50 0 in-vitro ADAARO CCc1csc([C@@H](C)[NH3+])n1 11631705 343023495 /nfs/dbraw/zinc/02/34/95/343023495.db2.gz FRKCDCJHZCSUGG-RXMQYKEDSA-N 1 0 156.254 1.725 50 0 ADAARO Cc1nc(CCC[NH3+])sc1C 11632092 343023502 /nfs/dbraw/zinc/02/35/02/343023502.db2.gz DTBFDCHQTALABK-UHFFFAOYSA-N 1 0 170.281 1.651 50 0 in-vitro ADAARO Cc1csc([C@H]2CCC[NH2+]C2)n1 11632018 343023591 /nfs/dbraw/zinc/02/35/91/343023591.db2.gz WFKAJMCEZSRFSB-QMMMGPOBSA-N 1 0 182.292 1.919 50 0 in-vitro ADAARO Cc1csc(C2CC[NH2+]CC2)n1 11632066 343023596 /nfs/dbraw/zinc/02/35/96/343023596.db2.gz LKYQLOSMAQQSRZ-UHFFFAOYSA-N 1 0 182.292 1.919 50 0 in-vitro ADAARO C[C@H]([NH3+])c1nccs1 11631702 343023598 /nfs/dbraw/zinc/02/35/98/343023598.db2.gz DUOLTCNKKZZNIC-BYPYZUCNSA-N 1 0 128.200 1.163 50 0 in-vitro ADAARO Cc1nc([C@@H](C)[NH3+])sc1C 11631703 343023605 /nfs/dbraw/zinc/02/36/05/343023605.db2.gz VZQYBPGNBCABSI-SCSAIBSYSA-N 1 0 156.254 1.780 50 0 ADAARO C[N@@H+]1Cc2ccc(N)cc2C1 11731031 343023968 /nfs/dbraw/zinc/02/39/68/343023968.db2.gz QAJAXOPOSLBUDC-UHFFFAOYSA-N 1 0 148.209 1.214 50 0 in-vitro ADAARO CC(C)[N@@H+]1Cc2ccc(N)cc2C1 11731034 343023974 /nfs/dbraw/zinc/02/39/74/343023974.db2.gz HDTCCGDLBZOGLK-UHFFFAOYSA-N 1 0 176.263 1.993 50 0 ADAARO CC1(C)C[NH2+]CC(C)(C)O1 11731533 343024089 /nfs/dbraw/zinc/02/40/89/343024089.db2.gz GVGCGIPIDFQMFA-UHFFFAOYSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO CC(C)[N@@H+]1Cc2cccc(N)c2C1 11730926 343024109 /nfs/dbraw/zinc/02/41/09/343024109.db2.gz APJPGQBMXQDZDA-UHFFFAOYSA-N 1 0 176.263 1.993 50 0 ADAARO C[C@H]1[NH2+]CCOc2ccccc21 11802716 343024421 /nfs/dbraw/zinc/02/44/21/343024421.db2.gz BDMKKDLAKZPRIO-MRVPVSSYSA-N 1 0 163.220 1.730 50 0 in-vitro ADAARO Cc1ncc([C@@H](C)[NH3+])s1 11760645 343024641 /nfs/dbraw/zinc/02/46/41/343024641.db2.gz KFBMUDZSWMAOGG-SCSAIBSYSA-N 1 0 142.227 1.471 50 0 ADAARO C[C@H]([NH3+])CN(C)c1ccccc1 11805171 343024948 /nfs/dbraw/zinc/02/49/48/343024948.db2.gz OGUIAFAIFGRUDY-VIFPVBQESA-N 1 0 164.252 1.470 50 0 in-vitro ADAARO C[C@@]1(c2ccccc2)C[NH2+]CCO1 11803630 343024962 /nfs/dbraw/zinc/02/49/62/343024962.db2.gz NCMLYFQBONKWAE-NSHDSACASA-N 1 0 177.247 1.522 50 0 in-vitro ADAARO CC(C)c1ccc([C@@](C)(O)C[NH3+])cc1 11803507 343024967 /nfs/dbraw/zinc/02/49/67/343024967.db2.gz KIDOXGAXIPHSBS-LBPRGKRZSA-N 1 0 193.290 1.976 50 0 ADAARO C[C@]1(c2ccccc2)COCC[NH2+]1 11803845 343024969 /nfs/dbraw/zinc/02/49/69/343024969.db2.gz GDEYAVDCDVVKJC-LLVKDONJSA-N 1 0 177.247 1.522 50 0 in-vitro ADAARO CC(C)c1ccc([C@](C)(O)C[NH3+])cc1 11803509 343024980 /nfs/dbraw/zinc/02/49/80/343024980.db2.gz KIDOXGAXIPHSBS-GFCCVEGCSA-N 1 0 193.290 1.976 50 0 ADAARO CCc1ccc([C@H](O)C[NH3+])cc1 11802867 343025007 /nfs/dbraw/zinc/02/50/07/343025007.db2.gz XIZKPKJTDGAEGJ-SNVBAGLBSA-N 1 0 165.236 1.241 50 0 in-vitro ADAARO CN(C[C@@H]1CCC[NH2+]1)c1ccccc1 11805261 343025025 /nfs/dbraw/zinc/02/50/25/343025025.db2.gz LKKBLTKKWIBCKH-NSHDSACASA-N 1 0 190.290 1.875 50 0 ADAARO C[C@@]1(c2ccccc2)COCC[NH2+]1 11803843 343025032 /nfs/dbraw/zinc/02/50/32/343025032.db2.gz GDEYAVDCDVVKJC-NSHDSACASA-N 1 0 177.247 1.522 50 0 in-vitro ADAARO CN(CCCC[NH3+])c1ccccc1 11805325 343025057 /nfs/dbraw/zinc/02/50/57/343025057.db2.gz JLEMNVMHZPEHBM-UHFFFAOYSA-N 1 0 178.279 1.862 50 0 in-vitro ADAARO C[C@](O)(C[NH3+])c1ccc(Cl)cc1 11803531 343025075 /nfs/dbraw/zinc/02/50/75/343025075.db2.gz HQYNVCFWWOMLMF-VIFPVBQESA-N 1 0 185.654 1.506 50 0 in-vitro ADAARO Cc1ccc([C@@](C)(O)C[NH3+])cc1 11803500 343025077 /nfs/dbraw/zinc/02/50/77/343025077.db2.gz DGYZREZJDAZPPF-JTQLQIEISA-N 1 0 165.236 1.161 50 0 ADAARO CCc1ccc([C@H]2C[NH2+]CCO2)cc1 11803015 343025085 /nfs/dbraw/zinc/02/50/85/343025085.db2.gz YZSMQKAOFQFJIO-GFCCVEGCSA-N 1 0 191.274 1.910 50 0 in-vitro ADAARO C[C@]1(c2ccc(F)cc2)C[NH2+]CCO1 11803663 343025089 /nfs/dbraw/zinc/02/50/89/343025089.db2.gz IHMLZEWIFPIGKG-LLVKDONJSA-N 1 0 195.237 1.661 50 0 ADAARO Cc1ccc([C@@]2(C)C[NH2+]CCO2)cc1 11803633 343025111 /nfs/dbraw/zinc/02/51/11/343025111.db2.gz NQYMBSUCKZVKFF-GFCCVEGCSA-N 1 0 191.274 1.830 50 0 in-vitro ADAARO CC(C)c1ccc([C@H](O)C[NH3+])cc1 11802875 343025129 /nfs/dbraw/zinc/02/51/29/343025129.db2.gz IHSBABZVVDRZSP-LLVKDONJSA-N 1 0 179.263 1.802 50 0 ADAARO CC(C)[C@H]([NH3+])C(=O)Nc1ccccn1 11805470 343025131 /nfs/dbraw/zinc/02/51/31/343025131.db2.gz JECHQMMXVZMHQA-VIFPVBQESA-N 1 0 193.250 1.003 50 0 ADAARO CC(C)c1ccc([C@@H](O)C[NH3+])cc1 11802873 343025133 /nfs/dbraw/zinc/02/51/33/343025133.db2.gz IHSBABZVVDRZSP-NSHDSACASA-N 1 0 179.263 1.802 50 0 ADAARO C[C@]1(c2ccccc2)C[NH2+]CCO1 11803632 343025134 /nfs/dbraw/zinc/02/51/34/343025134.db2.gz NCMLYFQBONKWAE-LLVKDONJSA-N 1 0 177.247 1.522 50 0 in-vitro ADAARO Cc1ccc([C@H]2COCC[NH2+]2)cc1 11803305 343025150 /nfs/dbraw/zinc/02/51/50/343025150.db2.gz GVJDPIFKBRDIKX-LLVKDONJSA-N 1 0 177.247 1.656 50 0 in-vitro ADAARO CCc1ccc([C@@](C)(O)C[NH3+])cc1 11803504 343025172 /nfs/dbraw/zinc/02/51/72/343025172.db2.gz DLKWKERRELEJIU-NSHDSACASA-N 1 0 179.263 1.415 50 0 ADAARO Cc1ccc2c(c1)OCC[C@@H]2[NH3+] 11849004 343025489 /nfs/dbraw/zinc/02/54/89/343025489.db2.gz VLFWKNOFAQNDID-VIFPVBQESA-N 1 0 163.220 1.777 50 0 ADAARO Cc1cccc(OC[C@H](C)[NH3+])c1 11849657 343025450 /nfs/dbraw/zinc/02/54/50/343025450.db2.gz UKWBVFOYWVWPNE-VIFPVBQESA-N 1 0 165.236 1.721 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])c1nccn1C 11848552 343025551 /nfs/dbraw/zinc/02/55/51/343025551.db2.gz CMVDLQMORGEVAE-ZETCQYMHSA-N 1 0 153.229 1.076 50 0 in-vitro ADAARO Cc1ccc2c(c1)OCC[C@H]2[NH3+] 11849005 343025573 /nfs/dbraw/zinc/02/55/73/343025573.db2.gz VLFWKNOFAQNDID-SECBINFHSA-N 1 0 163.220 1.777 50 0 ADAARO CC(C)[C@@H]([NH3+])c1nccn1C 11848551 343025578 /nfs/dbraw/zinc/02/55/78/343025578.db2.gz CMVDLQMORGEVAE-SSDOTTSWSA-N 1 0 153.229 1.076 50 0 in-vitro ADAARO Cc1nc2c(s1)C[NH2+]CC2 11850542 343025584 /nfs/dbraw/zinc/02/55/84/343025584.db2.gz KGBINGMJYXILDP-UHFFFAOYSA-N 1 0 154.238 1.097 50 0 in-vitro ADAARO Cc1nc([C@@H](C)[NH3+])cs1 11850450 343025615 /nfs/dbraw/zinc/02/56/15/343025615.db2.gz IXVBHPYKGWVUDT-SCSAIBSYSA-N 1 0 142.227 1.471 50 0 in-vitro ADAARO Cc1nc2c(s1)[C@H]([NH3+])CCC2 11850390 343025622 /nfs/dbraw/zinc/02/56/22/343025622.db2.gz SDXVLTANPSZQGZ-ZCFIWIBFSA-N 1 0 168.265 1.788 50 0 in-vitro ADAARO Cc1ccc2c(c1)[C@@H]([NH3+])CCO2 11849001 343025626 /nfs/dbraw/zinc/02/56/26/343025626.db2.gz LXNRUKZCRQFUCU-VIFPVBQESA-N 1 0 163.220 1.777 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc[nH]1 11848727 343025634 /nfs/dbraw/zinc/02/56/34/343025634.db2.gz KYCDNQPIQHCAFW-YFKPBYRVSA-N 1 0 110.160 1.034 50 0 in-vitro ADAARO Cc1ccc2c(c1)[C@H]([NH3+])CCO2 11849000 343025637 /nfs/dbraw/zinc/02/56/37/343025637.db2.gz LXNRUKZCRQFUCU-SECBINFHSA-N 1 0 163.220 1.777 50 0 in-vitro ADAARO Cc1ccc(OC[C@H](C)[NH3+])cc1 11849659 343025745 /nfs/dbraw/zinc/02/57/45/343025745.db2.gz IKSQZYUYDAEOEE-VIFPVBQESA-N 1 0 165.236 1.721 50 0 in-vitro ADAARO Cc1nc([C@H](C)[NH3+])cs1 11850451 343025779 /nfs/dbraw/zinc/02/57/79/343025779.db2.gz IXVBHPYKGWVUDT-BYPYZUCNSA-N 1 0 142.227 1.471 50 0 in-vitro ADAARO CCc1cnc([C@H](C)[NH3+])s1 11886316 343025890 /nfs/dbraw/zinc/02/58/90/343025890.db2.gz APKAMZXMSWTCKM-YFKPBYRVSA-N 1 0 156.254 1.725 50 0 in-vitro ADAARO C[C@H]([NH3+])Cc1nccs1 11883638 343025913 /nfs/dbraw/zinc/02/59/13/343025913.db2.gz BDUWTHZMQZVPFE-YFKPBYRVSA-N 1 0 142.227 1.033 50 0 ADAARO CCc1cnc([C@@H](C)[NH3+])s1 11886314 343026038 /nfs/dbraw/zinc/02/60/38/343026038.db2.gz APKAMZXMSWTCKM-RXMQYKEDSA-N 1 0 156.254 1.725 50 0 in-vitro ADAARO C[C@H](C[NH3+])c1nccs1 11883510 343026122 /nfs/dbraw/zinc/02/61/22/343026122.db2.gz BOQVGMANBXIAEQ-RXMQYKEDSA-N 1 0 142.227 1.205 50 0 in-vitro ADAARO Cc1csc([C@@H](C)C[NH3+])n1 11883512 343026161 /nfs/dbraw/zinc/02/61/61/343026161.db2.gz VFPDFRBRTYGSRB-YFKPBYRVSA-N 1 0 156.254 1.514 50 0 in-vitro ADAARO Cc1cnc([C@@H](C)[NH3+])s1 11886716 343026200 /nfs/dbraw/zinc/02/62/00/343026200.db2.gz NMRXZMUYJYMSDA-RXMQYKEDSA-N 1 0 142.227 1.471 50 0 in-vitro ADAARO CCc1nc(CC[NH3+])sc1C 11887360 343026239 /nfs/dbraw/zinc/02/62/39/343026239.db2.gz CNCRGOBKVWHQKO-UHFFFAOYSA-N 1 0 170.281 1.515 50 0 in-vitro ADAARO Cc1cnc([C@H](C)[NH3+])s1 11886720 343026254 /nfs/dbraw/zinc/02/62/54/343026254.db2.gz NMRXZMUYJYMSDA-YFKPBYRVSA-N 1 0 142.227 1.471 50 0 in-vitro ADAARO Cc1cccc(N2CC[C@H](C[NH3+])C2)c1 11891493 343026517 /nfs/dbraw/zinc/02/65/17/343026517.db2.gz AFCJJROHYQBMGK-LLVKDONJSA-N 1 0 190.290 1.780 50 0 ADAARO CCCC[NH2+]Cc1cnn(C)c1 11920298 343026614 /nfs/dbraw/zinc/02/66/14/343026614.db2.gz TUXBJEIPRKNCLW-UHFFFAOYSA-N 1 0 167.256 1.310 50 0 ADAARO Cc1ccc(N2CC[C@@H](C[NH3+])C2)cc1 11891496 343026633 /nfs/dbraw/zinc/02/66/33/343026633.db2.gz CNANGROEDVCAFZ-NSHDSACASA-N 1 0 190.290 1.780 50 0 in-vitro ADAARO Cc1cccc(N2CC[C@@H](C[NH3+])C2)c1 11891489 343026653 /nfs/dbraw/zinc/02/66/53/343026653.db2.gz AFCJJROHYQBMGK-NSHDSACASA-N 1 0 190.290 1.780 50 0 ADAARO Cc1nn(C)c(C)c1[C@@H](C)[NH3+] 11920335 343026699 /nfs/dbraw/zinc/02/66/99/343026699.db2.gz ZTWKRDLLRAVAFV-RXMQYKEDSA-N 1 0 153.229 1.057 50 0 in-vitro ADAARO Cc1ccc(N2CC[C@H](C[NH3+])C2)cc1 11891500 343026741 /nfs/dbraw/zinc/02/67/41/343026741.db2.gz CNANGROEDVCAFZ-LLVKDONJSA-N 1 0 190.290 1.780 50 0 in-vitro ADAARO Cc1ccc(O[C@@H](C)C[NH3+])cc1 11946031 343026965 /nfs/dbraw/zinc/02/69/65/343026965.db2.gz UFSYYRNCFQQPQC-VIFPVBQESA-N 1 0 165.236 1.721 50 0 in-vitro ADAARO Cc1ccc([C@H](C)[NH3+])cc1N 11920649 343027028 /nfs/dbraw/zinc/02/70/28/343027028.db2.gz OYVZYIJAXIICPA-ZETCQYMHSA-N 1 0 150.225 1.597 50 0 ADAARO Cc1cc(Cl)ccc1NC(=O)C[NH3+] 11956871 343027056 /nfs/dbraw/zinc/02/70/56/343027056.db2.gz JVTFSNBVLOPNLK-UHFFFAOYSA-N 1 0 198.653 1.546 50 0 ADAARO Cc1cc(C[NH3+])c(C)n1C 11920632 343027149 /nfs/dbraw/zinc/02/71/49/343027149.db2.gz QDKVKIHUOVMMCG-UHFFFAOYSA-N 1 0 138.214 1.101 50 0 ADAARO CC(C)c1ccc(NC(=O)C[NH3+])cc1 11956842 343027203 /nfs/dbraw/zinc/02/72/03/343027203.db2.gz YHXWYLMIJASNQE-UHFFFAOYSA-N 1 0 192.262 1.707 50 0 ADAARO CCC1(CC)COCC[NH2+]1 11950231 343027265 /nfs/dbraw/zinc/02/72/65/343027265.db2.gz IBUHLOOKFGLSOI-UHFFFAOYSA-N 1 0 143.230 1.165 50 0 ADAARO C[C@H]([NH3+])c1cccc(O)c1 11920645 343027273 /nfs/dbraw/zinc/02/72/73/343027273.db2.gz WFRNDUQAIZJRPZ-LURJTMIESA-N 1 0 137.182 1.412 50 0 in-vitro ADAARO Cc1cc(C)cc(NC(=O)C[NH3+])c1 11956836 343027405 /nfs/dbraw/zinc/02/74/05/343027405.db2.gz GZOUCRUGLBGHMJ-UHFFFAOYSA-N 1 0 178.235 1.201 50 0 ADAARO Cc1cccc(O[C@H](C)C[NH3+])c1 11946425 343027410 /nfs/dbraw/zinc/02/74/10/343027410.db2.gz MYYLGENPKRDZMK-SECBINFHSA-N 1 0 165.236 1.721 50 0 in-vitro ADAARO CC[C@H](C)[C@H]([NH3+])C(=O)NC1CCCC1 11959231 343027497 /nfs/dbraw/zinc/02/74/97/343027497.db2.gz OOWLARASGPSZPE-WPRPVWTQSA-N 1 0 198.310 1.419 50 0 ADAARO CCCCN(C)C(=O)[C@@H]([NH3+])C(C)C 11958960 343027527 /nfs/dbraw/zinc/02/75/27/343027527.db2.gz MTADOTHMMKWQIN-VIFPVBQESA-N 1 0 186.299 1.228 50 0 ADAARO CC1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 11958287 343027568 /nfs/dbraw/zinc/02/75/68/343027568.db2.gz BRHRZZLYIWUTFX-JTQLQIEISA-N 1 0 198.310 1.228 50 0 ADAARO CC(C)[C@H]([NH3+])C(=O)Nc1ccccc1 11958536 343027594 /nfs/dbraw/zinc/02/75/94/343027594.db2.gz OVQXACDDVLRVJX-JTQLQIEISA-N 1 0 192.262 1.608 50 0 ADAARO Cc1cccc(NC(=O)[C@H](C)[NH3+])c1 11957584 343027635 /nfs/dbraw/zinc/02/76/35/343027635.db2.gz GRZFTZFNDXZGMG-QMMMGPOBSA-N 1 0 178.235 1.281 50 0 ADAARO CCCCNC(=O)[C@@H]([NH3+])[C@@H](C)CC 11959202 343027734 /nfs/dbraw/zinc/02/77/34/343027734.db2.gz ZCLXOGKYLYWKDL-IUCAKERBSA-N 1 0 186.299 1.276 50 0 ADAARO CC(C)[C@H]([NH3+])C(=O)NC1CCCC1 11958277 343027740 /nfs/dbraw/zinc/02/77/40/343027740.db2.gz GRJJRKRYXRWSAK-VIFPVBQESA-N 1 0 184.283 1.029 50 0 in-vitro ADAARO C[C@H]([NH3+])C(=O)Nc1ccccc1F 11957654 343027769 /nfs/dbraw/zinc/02/77/69/343027769.db2.gz LPXJDWKYNHLYMR-LURJTMIESA-N 1 0 182.198 1.111 50 0 ADAARO C[C@H]([NH3+])C(=O)Nc1ccc(F)cc1 11957660 343027780 /nfs/dbraw/zinc/02/77/80/343027780.db2.gz BPHFFXQGZBVHBW-LURJTMIESA-N 1 0 182.198 1.111 50 0 ADAARO C[C@H](C[NH3+])Cc1ccc2c(c1)OCO2 11975128 343027794 /nfs/dbraw/zinc/02/77/94/343027794.db2.gz OGPMOPKKBHZJLT-QMMMGPOBSA-N 1 0 193.246 1.553 50 0 ADAARO C[C@H](C[NH3+])Cc1cccs1 11974871 343027813 /nfs/dbraw/zinc/02/78/13/343027813.db2.gz GISIZJQNOSILIN-ZETCQYMHSA-N 1 0 155.266 1.885 50 0 in-vitro ADAARO CC1(C)Cc2cccc(C[NH3+])c2O1 12339622 343028084 /nfs/dbraw/zinc/02/80/84/343028084.db2.gz BQEPNISHAAOSFF-UHFFFAOYSA-N 1 0 177.247 1.859 50 0 in-vitro ADAARO Cc1cccc(C[C@H](C[NH3+])CO)c1 11978401 343028088 /nfs/dbraw/zinc/02/80/88/343028088.db2.gz PZGKHOUIVVHFNB-LLVKDONJSA-N 1 0 179.263 1.105 50 0 in-vitro ADAARO Cc1nc(C)c([C@@H](C)[NH3+])s1 12016169 343028202 /nfs/dbraw/zinc/02/82/02/343028202.db2.gz HIJYHZZFVMCOKK-SCSAIBSYSA-N 1 0 156.254 1.780 50 0 in-vitro ADAARO Cc1nc(C)c([C@H](C)[NH3+])s1 12016170 343028266 /nfs/dbraw/zinc/02/82/66/343028266.db2.gz HIJYHZZFVMCOKK-BYPYZUCNSA-N 1 0 156.254 1.780 50 0 in-vitro ADAARO Cc1ccc(C[C@H](C[NH3+])CO)cc1 11978409 343028316 /nfs/dbraw/zinc/02/83/16/343028316.db2.gz UIMGYZUPZCXHOK-LLVKDONJSA-N 1 0 179.263 1.105 50 0 ADAARO C[C@](C[NH3+])(CO)Cc1cccs1 11978653 343028434 /nfs/dbraw/zinc/02/84/34/343028434.db2.gz UHXULCRYLGXENR-VIFPVBQESA-N 1 0 185.292 1.248 50 0 in-vitro ADAARO CC[C@H](CC[NH3+])n1cccn1 12357759 343028686 /nfs/dbraw/zinc/02/86/86/343028686.db2.gz JSTGFYQVFVXIJS-MRVPVSSYSA-N 1 0 153.229 1.183 50 0 ADAARO CC[C@@H](CC[NH3+])n1cccn1 12357758 343028626 /nfs/dbraw/zinc/02/86/26/343028626.db2.gz JSTGFYQVFVXIJS-QMMMGPOBSA-N 1 0 153.229 1.183 50 0 ADAARO Cc1cc(C)n([C@H](C)CC[NH3+])n1 12357761 343028703 /nfs/dbraw/zinc/02/87/03/343028703.db2.gz SUCOQMBDEKSPDE-MRVPVSSYSA-N 1 0 167.256 1.410 50 0 ADAARO Cc1ccc2c(C)[n+](C)c(C)cn12 12341396 343028716 /nfs/dbraw/zinc/02/87/16/343028716.db2.gz QENGNMNDGNYZGZ-UHFFFAOYSA-N 1 0 175.255 1.689 50 0 ADAARO CCc1c2cccn2cc[n+]1C 12341397 343028739 /nfs/dbraw/zinc/02/87/39/343028739.db2.gz DEBOLEIPZTWPMB-UHFFFAOYSA-N 1 0 161.228 1.326 50 0 ADAARO Cc1cc(C)[n+](C)n1-c1ccccc1 12341285 343028788 /nfs/dbraw/zinc/02/87/88/343028788.db2.gz WOQBDLYBGBKKIL-UHFFFAOYSA-N 1 0 187.266 1.919 50 0 ADAARO C[C@H](C[NH3+])Cn1cc(Cl)cn1 12357763 343028812 /nfs/dbraw/zinc/02/88/12/343028812.db2.gz APRGNOBUZDBYMP-ZCFIWIBFSA-N 1 0 173.647 1.131 50 0 ADAARO Cc1cc(C)n([C@@H](C)CC[NH3+])n1 12357760 343028852 /nfs/dbraw/zinc/02/88/52/343028852.db2.gz SUCOQMBDEKSPDE-QMMMGPOBSA-N 1 0 167.256 1.410 50 0 ADAARO Cc1ccc(F)c(C[NH3+])c1 12359259 343029061 /nfs/dbraw/zinc/02/90/61/343029061.db2.gz YPEIWDJFBUWQRL-UHFFFAOYSA-N 1 0 139.173 1.593 50 0 in-vitro ADAARO CC(C)c1noc(C2CC[NH2+]CC2)n1 12359798 343029068 /nfs/dbraw/zinc/02/90/68/343029068.db2.gz QDRJZNBKSMAEIE-UHFFFAOYSA-N 1 0 195.266 1.660 50 0 in-vitro ADAARO CC(C)[NH2+]CC(=O)c1ccccc1 12359727 343029077 /nfs/dbraw/zinc/02/90/77/343029077.db2.gz IHVMTNLVDVWAAA-UHFFFAOYSA-N 1 0 177.247 1.867 50 0 in-vitro ADAARO C[NH2+]CC1CCSCC1 12370686 343029113 /nfs/dbraw/zinc/02/91/13/343029113.db2.gz FPKJBESBCAZWPI-UHFFFAOYSA-N 1 0 145.271 1.349 50 0 in-vitro ADAARO Cc1ccoc1C[NH3+] 12370519 343029129 /nfs/dbraw/zinc/02/91/29/343029129.db2.gz CTGIVQJZUKJDNH-UHFFFAOYSA-N 1 0 111.144 1.047 50 0 ADAARO CC(C)c1noc([C@H]2CCC[NH2+]C2)n1 12359810 343029150 /nfs/dbraw/zinc/02/91/50/343029150.db2.gz RQHLIISYGVVOMZ-QMMMGPOBSA-N 1 0 195.266 1.660 50 0 ADAARO CC(C)[NH2+]C[C@H](O)c1ccc(F)cc1 12359726 343029168 /nfs/dbraw/zinc/02/91/68/343029168.db2.gz ICFWAKHBPUVWHZ-NSHDSACASA-N 1 0 197.253 1.857 50 0 ADAARO CCC[NH2+]CCc1ccccn1 12359623 343029189 /nfs/dbraw/zinc/02/91/89/343029189.db2.gz XPVKRNJOBDEBIH-UHFFFAOYSA-N 1 0 164.252 1.624 50 0 in-vitro ADAARO CCc1noc([C@@H]2CCC[NH2+]C2)n1 12359804 343029198 /nfs/dbraw/zinc/02/91/98/343029198.db2.gz XXIODYOSZOJCLL-SSDOTTSWSA-N 1 0 181.239 1.099 50 0 in-vitro ADAARO CC(C)c1noc([C@@H]2CCC[NH2+]C2)n1 12359809 343029228 /nfs/dbraw/zinc/02/92/28/343029228.db2.gz RQHLIISYGVVOMZ-MRVPVSSYSA-N 1 0 195.266 1.660 50 0 ADAARO C[C@H](C1=CCC=C1)[NH+](C)C 12359088 343029237 /nfs/dbraw/zinc/02/92/37/343029237.db2.gz HBKNCCCVCDKILO-MRVPVSSYSA-N 1 0 137.226 1.823 50 0 ADAARO CC(C)[NH2+]C[C@@H](O)c1ccc(F)cc1 12359725 343029249 /nfs/dbraw/zinc/02/92/49/343029249.db2.gz ICFWAKHBPUVWHZ-LLVKDONJSA-N 1 0 197.253 1.857 50 0 ADAARO C[C@@H](C1=CCC=C1)[NH+](C)C 12359087 343029268 /nfs/dbraw/zinc/02/92/68/343029268.db2.gz HBKNCCCVCDKILO-QMMMGPOBSA-N 1 0 137.226 1.823 50 0 ADAARO Cc1cc(F)cc(C[NH3+])c1 12359177 343029299 /nfs/dbraw/zinc/02/92/99/343029299.db2.gz CMISIIAYQCJJSW-UHFFFAOYSA-N 1 0 139.173 1.593 50 0 in-vitro ADAARO C[NH2+]C1CCN(C(=O)CC(C)C)CC1 12359826 343029322 /nfs/dbraw/zinc/02/93/22/343029322.db2.gz LHQHRQATYLUJLM-UHFFFAOYSA-N 1 0 198.310 1.243 50 0 in-vitro ADAARO C[NH+](C)CCCOc1ccccc1N 12370631 343029325 /nfs/dbraw/zinc/02/93/25/343029325.db2.gz XGTIDBFMHOJXSS-UHFFFAOYSA-N 1 0 194.278 1.599 50 0 in-vitro ADAARO CCc1noc([C@H]2CCC[NH2+]C2)n1 12359805 343029349 /nfs/dbraw/zinc/02/93/49/343029349.db2.gz XXIODYOSZOJCLL-ZETCQYMHSA-N 1 0 181.239 1.099 50 0 in-vitro ADAARO Cc1c(F)cccc1C[NH3+] 12359169 343029401 /nfs/dbraw/zinc/02/94/01/343029401.db2.gz ITQMQLUKMFEJDB-UHFFFAOYSA-N 1 0 139.173 1.593 50 0 ADAARO Cc1ccc(C[NH3+])c(F)c1 12359178 343029421 /nfs/dbraw/zinc/02/94/21/343029421.db2.gz QRRUYSDAUXURDL-UHFFFAOYSA-N 1 0 139.173 1.593 50 0 ADAARO CC(C)[C@@H](O)C1CC[NH2+]CC1 12382028 343029576 /nfs/dbraw/zinc/02/95/76/343029576.db2.gz OWZCWTGEQMLUNC-SECBINFHSA-N 1 0 157.257 1.003 50 0 in-vitro ADAARO CC(C)[NH+]1CCC(CO)CC1 12382465 343029749 /nfs/dbraw/zinc/02/97/49/343029749.db2.gz FLKOJXQVRBGEES-UHFFFAOYSA-N 1 0 157.257 1.099 50 0 ADAARO CC(C)[N@@H+]1CCC[C@H](CO)C1 12382563 343029797 /nfs/dbraw/zinc/02/97/97/343029797.db2.gz LZXLHLSTUPFULX-VIFPVBQESA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO Cc1cnn(-c2ccc(C[NH3+])cc2)c1 12395425 343029810 /nfs/dbraw/zinc/02/98/10/343029810.db2.gz JCFUZNSBXRVJMM-UHFFFAOYSA-N 1 0 187.246 1.639 50 0 ADAARO Cc1cc([C@H]2CCC[NH2+]2)nn1C 12397600 343030034 /nfs/dbraw/zinc/03/00/34/343030034.db2.gz CVYNRTWNQATPEI-MRVPVSSYSA-N 1 0 165.240 1.153 50 0 ADAARO CN(C)CC[C@@H]([NH3+])c1ccccc1 12397765 343030140 /nfs/dbraw/zinc/03/01/40/343030140.db2.gz HSZKVKCMQAORSG-LLVKDONJSA-N 1 0 178.279 1.638 50 0 in-vitro ADAARO Cc1cc([C@@H]2CCC[NH2+]2)nn1C 12397598 343030196 /nfs/dbraw/zinc/03/01/96/343030196.db2.gz CVYNRTWNQATPEI-QMMMGPOBSA-N 1 0 165.240 1.153 50 0 ADAARO Cc1ccc([C@@H]([NH3+])CO)c(C)c1 12404585 343030365 /nfs/dbraw/zinc/03/03/65/343030365.db2.gz ZTBLTCBXRVNHQW-JTQLQIEISA-N 1 0 165.236 1.296 50 0 in-vitro ADAARO Cc1ccc([C@H]([NH3+])CO)c(C)c1 12404586 343030392 /nfs/dbraw/zinc/03/03/92/343030392.db2.gz ZTBLTCBXRVNHQW-SNVBAGLBSA-N 1 0 165.236 1.296 50 0 in-vitro ADAARO Cc1ccc([C@@H]([NH3+])CO)cc1C 12404587 343030396 /nfs/dbraw/zinc/03/03/96/343030396.db2.gz HSQAORATDQNBDY-JTQLQIEISA-N 1 0 165.236 1.296 50 0 in-vitro ADAARO CC(C)c1ccc([C@@H]([NH3+])CO)cc1 12404589 343030409 /nfs/dbraw/zinc/03/04/09/343030409.db2.gz XUXBDVIKYGKHEV-NSHDSACASA-N 1 0 179.263 1.802 50 0 in-vitro ADAARO Cc1noc(C)c1[C@@H]1CCC[NH2+]1 12398255 343030439 /nfs/dbraw/zinc/03/04/39/343030439.db2.gz QDGZSVKOWPTPRN-QMMMGPOBSA-N 1 0 166.224 1.716 50 0 in-vitro ADAARO CC(C)Cn1ccc([C@H]2CCC[NH2+]2)n1 12398548 343030451 /nfs/dbraw/zinc/03/04/51/343030451.db2.gz WSAYFFFOBOPENA-SNVBAGLBSA-N 1 0 193.294 1.964 50 0 ADAARO CC[C@H](C[NH3+])n1nc(C)cc1C 12398191 343030558 /nfs/dbraw/zinc/03/05/58/343030558.db2.gz MFZKAKKKAHOJQQ-SECBINFHSA-N 1 0 167.256 1.410 50 0 ADAARO CC[C@@H](C[NH3+])n1cc(Cl)cn1 12398197 343030567 /nfs/dbraw/zinc/03/05/67/343030567.db2.gz NBLKYAFDSSHUCM-ZETCQYMHSA-N 1 0 173.647 1.446 50 0 ADAARO Cc1ccc([C@H]([NH3+])CO)cc1C 12404588 343030570 /nfs/dbraw/zinc/03/05/70/343030570.db2.gz HSQAORATDQNBDY-SNVBAGLBSA-N 1 0 165.236 1.296 50 0 in-vitro ADAARO CC(C)Cn1ccc([C@@H]2CCC[NH2+]2)n1 12398547 343030579 /nfs/dbraw/zinc/03/05/79/343030579.db2.gz WSAYFFFOBOPENA-JTQLQIEISA-N 1 0 193.294 1.964 50 0 ADAARO CC[C@@H](C[NH3+])n1nc(C)cc1C 12398189 343030589 /nfs/dbraw/zinc/03/05/89/343030589.db2.gz MFZKAKKKAHOJQQ-VIFPVBQESA-N 1 0 167.256 1.410 50 0 ADAARO CC(C)c1ccc([C@H]([NH3+])CO)cc1 12404590 343030597 /nfs/dbraw/zinc/03/05/97/343030597.db2.gz XUXBDVIKYGKHEV-LLVKDONJSA-N 1 0 179.263 1.802 50 0 in-vitro ADAARO CC[C@H](C[NH3+])n1cc(Cl)cn1 12398199 343030604 /nfs/dbraw/zinc/03/06/04/343030604.db2.gz NBLKYAFDSSHUCM-SSDOTTSWSA-N 1 0 173.647 1.446 50 0 ADAARO Cc1cc(C)c([C@H]([NH3+])CO)cc1C 12404660 343030918 /nfs/dbraw/zinc/03/09/18/343030918.db2.gz GKSHQZSSTGBJAT-LLVKDONJSA-N 1 0 179.263 1.604 50 0 in-vitro ADAARO Cc1cc2c(cc1C[NH3+])OCCO2 12446794 343031405 /nfs/dbraw/zinc/03/14/05/343031405.db2.gz QAILQHJDHDCILG-UHFFFAOYSA-N 1 0 179.219 1.225 50 0 in-vitro ADAARO CCCC[NH2+]C1CC1 12480277 343031439 /nfs/dbraw/zinc/03/14/39/343031439.db2.gz JCGRNPRBHMFNHS-UHFFFAOYSA-N 1 0 113.204 1.539 50 0 in-vitro ADAARO C[C@H](C[NH3+])N1CCc2ccccc21 12480850 343031518 /nfs/dbraw/zinc/03/15/18/343031518.db2.gz NPLIBYPKABRYCL-SECBINFHSA-N 1 0 176.263 1.396 50 0 in-vitro ADAARO Cc1cccc([C@@H]([NH3+])CCO)c1 12650640 343031759 /nfs/dbraw/zinc/03/17/59/343031759.db2.gz QBUYRBXUFMJAEP-JTQLQIEISA-N 1 0 165.236 1.377 50 0 in-vitro ADAARO C[C@H]1[NH2+]CCn2c(Cl)ccc21 12505602 343031779 /nfs/dbraw/zinc/03/17/79/343031779.db2.gz XXVWOUMHIVZHED-ZCFIWIBFSA-N 1 0 170.643 1.806 50 0 ADAARO Cc1ccc2c(c1)C[NH2+]CCN2 12650112 343031811 /nfs/dbraw/zinc/03/18/11/343031811.db2.gz NJFPGSCEQVZTIQ-UHFFFAOYSA-N 1 0 162.236 1.510 50 0 in-vitro ADAARO Cc1cccc2c1NCC[NH2+]C2 12650210 343031848 /nfs/dbraw/zinc/03/18/48/343031848.db2.gz LCZRNBVXQPCCDG-UHFFFAOYSA-N 1 0 162.236 1.510 50 0 in-vitro ADAARO CC(C)[N@@H+]1C[C@@H]2CCC[C@H](C1)C2=O 12506093 343031998 /nfs/dbraw/zinc/03/19/98/343031998.db2.gz XJMQPSKRAIRWLP-AOOOYVTPSA-N 1 0 181.279 1.696 50 0 in-vitro ADAARO C[N@@H+]1CC[C@](C)(O)[C@@H]2CCCC[C@@H]21 13139816 343033188 /nfs/dbraw/zinc/03/31/88/343033188.db2.gz OFUROGGOSSXCBF-VWYCJHECSA-N 1 0 183.295 1.632 50 0 ADAARO Cc1[nH+]c(C)n(C)c1C 13209593 343033715 /nfs/dbraw/zinc/03/37/15/343033715.db2.gz WLUJHMKCLOIRSK-UHFFFAOYSA-N 1 0 124.187 1.345 50 0 in-vitro ADAARO Cc1ccc([C@H](C)[NH3+])cn1 13378664 343034703 /nfs/dbraw/zinc/03/47/03/343034703.db2.gz GLTIIUKSLNSXKM-ZETCQYMHSA-N 1 0 136.198 1.410 50 0 in-vitro ADAARO Cc1ccc([C@@H](C)[NH3+])cn1 13378663 343034719 /nfs/dbraw/zinc/03/47/19/343034719.db2.gz GLTIIUKSLNSXKM-SSDOTTSWSA-N 1 0 136.198 1.410 50 0 in-vitro ADAARO Cc1ccc([C@]2(O)CC[NH2+]C2)cc1 13483665 343035121 /nfs/dbraw/zinc/03/51/21/343035121.db2.gz VIJOQUBTZLXSIM-NSHDSACASA-N 1 0 177.247 1.176 50 0 ADAARO Cc1ccc(C2(C[NH3+])CC2)cc1 13495651 343035127 /nfs/dbraw/zinc/03/51/27/343035127.db2.gz NMULNYCSMVQQFN-UHFFFAOYSA-N 1 0 161.248 1.985 50 0 in-vitro ADAARO Cc1cc2nc(CC[NH3+])[nH]c2cc1C 13483543 343035187 /nfs/dbraw/zinc/03/51/87/343035187.db2.gz WEGNZFPNBDRSSR-UHFFFAOYSA-N 1 0 189.262 1.681 50 0 ADAARO C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C)C1 13465233 343035197 /nfs/dbraw/zinc/03/51/97/343035197.db2.gz NRPGTWMBGPTPRM-KXUCPTDWSA-N 1 0 171.284 1.536 50 0 ADAARO Cc1ccc(CC[NH3+])s1 13483553 343035217 /nfs/dbraw/zinc/03/52/17/343035217.db2.gz VAYWLNRNWZOIAG-UHFFFAOYSA-N 1 0 141.239 1.558 50 0 in-vitro ADAARO C[C@H](O)C[NH2+][C@H]1CCC[C@@H](C)C1 13465235 343035398 /nfs/dbraw/zinc/03/53/98/343035398.db2.gz NRPGTWMBGPTPRM-UTLUCORTSA-N 1 0 171.284 1.536 50 0 ADAARO Cc1nccn1C[C@@H]1CCC[NH2+]C1 13536007 343035635 /nfs/dbraw/zinc/03/56/35/343035635.db2.gz ZBHMTCQCIMNPNR-SNVBAGLBSA-N 1 0 179.267 1.191 50 0 in-vitro ADAARO C[NH2+]CCCn1nc(C)cc1C 13533871 343035725 /nfs/dbraw/zinc/03/57/25/343035725.db2.gz YXVLUSBODIHODU-UHFFFAOYSA-N 1 0 167.256 1.109 50 0 in-vitro ADAARO Cc1nccn1C[C@H]1CCC[NH2+]C1 13536012 343035803 /nfs/dbraw/zinc/03/58/03/343035803.db2.gz ZBHMTCQCIMNPNR-JTQLQIEISA-N 1 0 179.267 1.191 50 0 in-vitro ADAARO CCn1nc(C)c(CCC[NH3+])c1C 13566584 343036284 /nfs/dbraw/zinc/03/62/84/343036284.db2.gz PCCYGCSJNVOKNJ-UHFFFAOYSA-N 1 0 181.283 1.411 50 0 ADAARO C[NH2+]CCCOc1ccccc1 13776458 343037250 /nfs/dbraw/zinc/03/72/50/343037250.db2.gz SBOUHGZVYFYWMK-UHFFFAOYSA-N 1 0 165.236 1.675 50 0 in-vitro ADAARO Cc1[nH]c(N)[nH+]c1Cc1ccccc1 13833534 343037694 /nfs/dbraw/zinc/03/76/94/343037694.db2.gz DDAMTLXHGRFRDT-UHFFFAOYSA-N 1 0 187.246 1.891 50 0 ADAARO Cc1ccc(OCC[NH+](C)C)c(N)c1 13992559 343038203 /nfs/dbraw/zinc/03/82/03/343038203.db2.gz KPPKQSJHEUVDFI-UHFFFAOYSA-N 1 0 194.278 1.518 50 0 ADAARO Cc1ccc(C[NH2+]CCCO)s1 13943021 343038398 /nfs/dbraw/zinc/03/83/98/343038398.db2.gz XFBBFALTKHOXOY-UHFFFAOYSA-N 1 0 185.292 1.529 50 0 in-vitro ADAARO CC[C@@H](CO)[NH2+]Cc1cccs1 13941963 343038441 /nfs/dbraw/zinc/03/84/41/343038441.db2.gz HAQTVYDMTSBENX-QMMMGPOBSA-N 1 0 185.292 1.609 50 0 ADAARO CCC[NH2+]CC(C)C 14593080 343039386 /nfs/dbraw/zinc/03/93/86/343039386.db2.gz SQGSVBHTFQOZDL-UHFFFAOYSA-N 1 0 115.220 1.642 50 0 endogenous,in-man ADAARO C[NH+](C)CCOc1ccc(N)cc1F 14630599 343039685 /nfs/dbraw/zinc/03/96/85/343039685.db2.gz AUQIARDFDSUERW-UHFFFAOYSA-N 1 0 198.241 1.348 50 0 in-vitro ADAARO C[C@H](O)C[C@H]1CCCC[N@@H+]1C 14695447 343039673 /nfs/dbraw/zinc/03/96/73/343039673.db2.gz JOHKCJPJMSCFBX-DTWKUNHWSA-N 1 0 157.257 1.242 50 0 biogenic,in-vitro ADAARO Cc1ccc(OC2CC[NH2+]CC2)cn1 14631956 343039699 /nfs/dbraw/zinc/03/96/99/343039699.db2.gz IUYVQHKOIHBGRC-UHFFFAOYSA-N 1 0 192.262 1.521 50 0 ADAARO C1C[NH2+]C[C@@H](COC[C@H]2CCCO2)C1 14631135 343039703 /nfs/dbraw/zinc/03/97/03/343039703.db2.gz BJDFNYRKCRSLCE-WDEREUQCSA-N 1 0 199.294 1.182 50 0 in-vitro ADAARO Cc1ccc(O[C@@H]2CCC[NH2+]C2)cn1 14631799 343039726 /nfs/dbraw/zinc/03/97/26/343039726.db2.gz LDGHEPHQLICVME-SNVBAGLBSA-N 1 0 192.262 1.521 50 0 in-vitro ADAARO Cc1ccc(O[C@H]2CC[NH2+]C2)cc1 14632248 343039733 /nfs/dbraw/zinc/03/97/33/343039733.db2.gz MITIXABGNXFZBO-NSHDSACASA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO CCc1cccc(O[C@H]2CC[NH2+]C2)c1 14632212 343039753 /nfs/dbraw/zinc/03/97/53/343039753.db2.gz YQVYAONAOWNYGH-LBPRGKRZSA-N 1 0 191.274 1.990 50 0 ADAARO Cc1cc(N)ccc1OCC[NH+](C)C 14630447 343039755 /nfs/dbraw/zinc/03/97/55/343039755.db2.gz RQZUMYLTTXQIQZ-UHFFFAOYSA-N 1 0 194.278 1.518 50 0 in-vitro ADAARO Cc1ccc(CO[C@@H]2CC[NH2+]C2)cc1 14632058 343039761 /nfs/dbraw/zinc/03/97/61/343039761.db2.gz ZXWJGOHOQVQCRE-GFCCVEGCSA-N 1 0 191.274 1.874 50 0 in-vitro ADAARO C1C[NH2+]C[C@@H](COC[C@@H]2CCCO2)C1 14631131 343039768 /nfs/dbraw/zinc/03/97/68/343039768.db2.gz BJDFNYRKCRSLCE-QWRGUYRKSA-N 1 0 199.294 1.182 50 0 in-vitro ADAARO CCCCOC[C@H]1CCC[NH2+]C1 14631091 343039909 /nfs/dbraw/zinc/03/99/09/343039909.db2.gz PKMNIDQNQIPJGB-JTQLQIEISA-N 1 0 171.284 1.803 50 0 ADAARO Cc1ccc(CO[C@H]2CC[NH2+]C2)cc1 14632060 343039790 /nfs/dbraw/zinc/03/97/90/343039790.db2.gz ZXWJGOHOQVQCRE-LBPRGKRZSA-N 1 0 191.274 1.874 50 0 in-vitro ADAARO Cc1ccc(O[C@@H]2CC[NH2+]C2)cc1 14632247 343039820 /nfs/dbraw/zinc/03/98/20/343039820.db2.gz MITIXABGNXFZBO-LLVKDONJSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO CCCCO[C@@H]1CCC[NH2+]C1 14631571 343039825 /nfs/dbraw/zinc/03/98/25/343039825.db2.gz WFTCSRKIJRCDCV-SECBINFHSA-N 1 0 157.257 1.555 50 0 in-vitro ADAARO Cc1cc(F)ccc1O[C@@H]1CC[NH2+]C1 14632307 343039828 /nfs/dbraw/zinc/03/98/28/343039828.db2.gz QBAFEGHJWKEUAH-SNVBAGLBSA-N 1 0 195.237 1.875 50 0 in-vitro ADAARO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C 14695444 343039830 /nfs/dbraw/zinc/03/98/30/343039830.db2.gz JOHKCJPJMSCFBX-IUCAKERBSA-N 1 0 157.257 1.242 50 0 biogenic,in-vitro ADAARO C1C[NH2+]C[C@@H](OCC2CC2)C1 14631531 343039838 /nfs/dbraw/zinc/03/98/38/343039838.db2.gz YPTKIXGGEPCHDH-VIFPVBQESA-N 1 0 155.241 1.165 50 0 in-vitro ADAARO CCCCO[C@H]1CC[NH2+]C1 14632022 343039850 /nfs/dbraw/zinc/03/98/50/343039850.db2.gz WCVWKQFHZQBECR-QMMMGPOBSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO CCCCOC[C@@H]1CCC[NH2+]C1 14631089 343039853 /nfs/dbraw/zinc/03/98/53/343039853.db2.gz PKMNIDQNQIPJGB-SNVBAGLBSA-N 1 0 171.284 1.803 50 0 ADAARO Cc1cc(F)ccc1O[C@H]1CC[NH2+]C1 14632308 343039857 /nfs/dbraw/zinc/03/98/57/343039857.db2.gz QBAFEGHJWKEUAH-JTQLQIEISA-N 1 0 195.237 1.875 50 0 in-vitro ADAARO Cc1ccc(N)c(OCC[NH+](C)C)c1 14629674 343039866 /nfs/dbraw/zinc/03/98/66/343039866.db2.gz VKTVSYDVBNOYND-UHFFFAOYSA-N 1 0 194.278 1.518 50 0 in-vitro ADAARO Cc1cc(OCC[NH+](C)C)ccc1N 14630753 343039871 /nfs/dbraw/zinc/03/98/71/343039871.db2.gz GQHVHULTVSIAAR-UHFFFAOYSA-N 1 0 194.278 1.518 50 0 in-vitro ADAARO Cc1ccc(OC[C@@H]2CC[NH2+]C2)cc1 14632427 343039878 /nfs/dbraw/zinc/03/98/78/343039878.db2.gz UVWRVEIUQNLYIQ-LLVKDONJSA-N 1 0 191.274 1.983 50 0 ADAARO CCCCOCC1CC[NH2+]CC1 14631389 343039883 /nfs/dbraw/zinc/03/98/83/343039883.db2.gz YNGMRWFPGVHDSP-UHFFFAOYSA-N 1 0 171.284 1.803 50 0 ADAARO Cc1ccc(O[C@H]2CC[NH2+]C2)cn1 14632272 343039898 /nfs/dbraw/zinc/03/98/98/343039898.db2.gz LSOZOIWNHPTWGV-JTQLQIEISA-N 1 0 178.235 1.131 50 0 in-vitro ADAARO CCc1ccc(O[C@@H]2CC[NH2+]C2)cc1 14632255 343039900 /nfs/dbraw/zinc/03/99/00/343039900.db2.gz UGLMHMFAJDFTSB-GFCCVEGCSA-N 1 0 191.274 1.990 50 0 ADAARO Cc1cccc(CO[C@@H]2CC[NH2+]C2)c1 14632044 343039902 /nfs/dbraw/zinc/03/99/02/343039902.db2.gz VCCVPKCJXIKNSE-GFCCVEGCSA-N 1 0 191.274 1.874 50 0 in-vitro ADAARO Cc1ccc(O[C@H]2CCC[NH2+]C2)cn1 14631801 343039907 /nfs/dbraw/zinc/03/99/07/343039907.db2.gz LDGHEPHQLICVME-JTQLQIEISA-N 1 0 192.262 1.521 50 0 in-vitro ADAARO Cc1[nH]c2ccccc2c1C(N)=[NH2+] 14807609 343040125 /nfs/dbraw/zinc/04/01/25/343040125.db2.gz RTCAMTGNFLFOPJ-UHFFFAOYSA-N 1 0 173.219 1.760 50 0 in-vitro ADAARO CCc1ccc(C(N)=[NH2+])cc1 14943166 343040150 /nfs/dbraw/zinc/04/01/50/343040150.db2.gz FZMLKENAMKEQOI-UHFFFAOYSA-N 1 0 148.209 1.533 50 0 in-vitro ADAARO Cc1ccc2nc(C[NH3+])cn2c1 14807797 343040175 /nfs/dbraw/zinc/04/01/75/343040175.db2.gz AXPYEDCFAFVWAD-UHFFFAOYSA-N 1 0 161.208 1.101 50 0 ADAARO C[NH2+]CCOc1cccc(OC)c1 15014483 343040870 /nfs/dbraw/zinc/04/08/70/343040870.db2.gz LEEHBTUHIYEAQL-UHFFFAOYSA-N 1 0 181.235 1.293 50 0 in-vitro ADAARO Cc1c[nH+]c(N)cc1C 14985912 343040982 /nfs/dbraw/zinc/04/09/82/343040982.db2.gz VYQFIVPHBLAONR-UHFFFAOYSA-N 1 0 122.171 1.281 50 0 in-vitro ADAARO Cc1ccc(N2C[C@@H]([NH3+])CC2=O)cc1 15014799 343040998 /nfs/dbraw/zinc/04/09/98/343040998.db2.gz WJFDJEKZICKYTJ-VIFPVBQESA-N 1 0 190.246 1.059 50 0 in-vitro ADAARO Cc1cccc(N2C[C@@H]([NH3+])CC2=O)c1 15014802 343041066 /nfs/dbraw/zinc/04/10/66/343041066.db2.gz SOJADOKBBLSLRH-VIFPVBQESA-N 1 0 190.246 1.059 50 0 in-vitro ADAARO Cc1cc2[nH]ccc2c[nH+]1 15021972 343041452 /nfs/dbraw/zinc/04/14/52/343041452.db2.gz PCAVQKASMKODDC-UHFFFAOYSA-N 1 0 132.166 1.871 50 0 ADAARO C[NH2+]CCCOc1ccc(F)cc1 15019948 343041508 /nfs/dbraw/zinc/04/15/08/343041508.db2.gz MQKGIPJSYFXVES-UHFFFAOYSA-N 1 0 183.226 1.814 50 0 in-vitro ADAARO CC[C@H](C)[NH2+]C[C@H]1CCCO1 15416784 343041757 /nfs/dbraw/zinc/04/17/57/343041757.db2.gz DTGKGWYYYLRIBA-DTWKUNHWSA-N 1 0 157.257 1.554 50 0 ADAARO CCCCC(=O)N1CCC([NH3+])CC1 15423803 343041866 /nfs/dbraw/zinc/04/18/66/343041866.db2.gz RVOUCLAVHDKKGH-UHFFFAOYSA-N 1 0 184.283 1.126 50 0 ADAARO CC(C)[N@@H+]1CCC[C@@H](CO)C1 15635484 343042088 /nfs/dbraw/zinc/04/20/88/343042088.db2.gz LZXLHLSTUPFULX-SECBINFHSA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO Cc1cccnc1C[NH2+]C(C)C 15635472 343042092 /nfs/dbraw/zinc/04/20/92/343042092.db2.gz CVABCKIDOTTWHW-UHFFFAOYSA-N 1 0 164.252 1.888 50 0 in-vitro ADAARO CCC1(CC)C[C@H]1C[NH3+] 15635392 343042188 /nfs/dbraw/zinc/04/21/88/343042188.db2.gz ZNEANLRFEOLEAL-ZETCQYMHSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO Cc1nc(CC[NH3+])sc1Cl 15635465 343042208 /nfs/dbraw/zinc/04/22/08/343042208.db2.gz WHCCFMJFEKJTIZ-UHFFFAOYSA-N 1 0 176.672 1.606 50 0 ADAARO CC(C)[NH2+]C1CCCC1 15443038 343042210 /nfs/dbraw/zinc/04/22/10/343042210.db2.gz HGEXOWFANSIFAZ-UHFFFAOYSA-N 1 0 127.231 1.927 50 0 in-vitro ADAARO C[C@H](O)C[N@@H+]1CCCC[C@@H]1C 15442163 343042220 /nfs/dbraw/zinc/04/22/20/343042220.db2.gz SJVZIMJRRLNDLA-IUCAKERBSA-N 1 0 157.257 1.242 50 0 ADAARO C[C@H]1CCCC[N@H+]1C[C@@H](C)O 15442161 343042236 /nfs/dbraw/zinc/04/22/36/343042236.db2.gz SJVZIMJRRLNDLA-DTWKUNHWSA-N 1 0 157.257 1.242 50 0 ADAARO CC1CC[NH+](CC(C)(C)CO)CC1 15442227 343042249 /nfs/dbraw/zinc/04/22/49/343042249.db2.gz ROBBPTVIFADSPT-UHFFFAOYSA-N 1 0 185.311 1.737 50 0 ADAARO CN(Cc1ccccc1F)C(N)=[NH2+] 15635612 343042649 /nfs/dbraw/zinc/04/26/49/343042649.db2.gz JKCKUYIRDQWKDU-UHFFFAOYSA-N 1 0 181.214 1.151 50 0 in-vitro ADAARO C[C@H](C[NH3+])c1ccncc1 15781570 343042716 /nfs/dbraw/zinc/04/27/16/343042716.db2.gz PFSHXDJWAVNKNO-SSDOTTSWSA-N 1 0 136.198 1.144 50 0 in-vitro ADAARO Cc1cccc(CN(C)C(N)=[NH2+])c1 15635611 343042719 /nfs/dbraw/zinc/04/27/19/343042719.db2.gz PDENMHYOJXECID-UHFFFAOYSA-N 1 0 177.251 1.320 50 0 ADAARO C[C@H]1CCC[N@@H+]([C@@H](C)CO)C1 15635678 343042721 /nfs/dbraw/zinc/04/27/21/343042721.db2.gz IVFMCLNSQCOKJU-IUCAKERBSA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO C[C@H]1CCCC[N@H+]1[C@H](C)CO 15635674 343042767 /nfs/dbraw/zinc/04/27/67/343042767.db2.gz UCTLHKSQISSPFT-DTWKUNHWSA-N 1 0 157.257 1.242 50 0 in-vitro ADAARO CN(Cc1ccc(Cl)cc1)C(N)=[NH2+] 15635621 343042774 /nfs/dbraw/zinc/04/27/74/343042774.db2.gz VDTFMYJKEJUYOU-UHFFFAOYSA-N 1 0 197.669 1.665 50 0 ADAARO C[C@H]1C[C@@H](C)C[N@H+](CCCO)C1 15635669 343042799 /nfs/dbraw/zinc/04/27/99/343042799.db2.gz DMDOZRIHHKQUFD-AOOOYVTPSA-N 1 0 171.284 1.347 50 0 in-vitro ADAARO CN(Cc1ccccc1Cl)C(N)=[NH2+] 15635617 343042824 /nfs/dbraw/zinc/04/28/24/343042824.db2.gz ILCIWBIKKBNAQY-UHFFFAOYSA-N 1 0 197.669 1.665 50 0 ADAARO Cc1c2cccn2cc[n+]1C 15919706 343042998 /nfs/dbraw/zinc/04/29/98/343042998.db2.gz ZDTAQAWWCUKGJD-UHFFFAOYSA-N 1 0 147.201 1.072 50 0 ADAARO CCc1[nH]c2ccc(N)cc2[nH+]1 15974389 343043125 /nfs/dbraw/zinc/04/31/25/343043125.db2.gz RJAJOQCGFBMAKT-UHFFFAOYSA-N 1 0 161.208 1.708 50 0 in-vitro ADAARO CCCC[NH+]1CCC(CO)CC1 16123899 343043150 /nfs/dbraw/zinc/04/31/50/343043150.db2.gz WBJOIIUQZHTVOG-UHFFFAOYSA-N 1 0 171.284 1.491 50 0 in-vitro ADAARO Cc1cccc2c1OCC[C@H]2[NH3+] 16082980 343043218 /nfs/dbraw/zinc/04/32/18/343043218.db2.gz MREWRJVSLAQYFQ-SECBINFHSA-N 1 0 163.220 1.777 50 0 in-vitro ADAARO Cc1ccsc1C[NH2+]CCO 16363173 343043538 /nfs/dbraw/zinc/04/35/38/343043538.db2.gz YVOGNJUGEMHXNN-UHFFFAOYSA-N 1 0 171.265 1.138 50 0 in-vitro ADAARO Cc1cccc(Cl)c1OCC[NH3+] 16362395 343043575 /nfs/dbraw/zinc/04/35/75/343043575.db2.gz XQTNIUIUXWUNOP-UHFFFAOYSA-N 1 0 185.654 1.986 50 0 in-vitro ADAARO CCCC(=O)NC1CC[NH+](CC)CC1 16606134 343043970 /nfs/dbraw/zinc/04/39/70/343043970.db2.gz QDDWYZAEYVGDRK-UHFFFAOYSA-N 1 0 198.310 1.387 50 0 ADAARO CCC[N@H+](CCO)Cc1ccccc1 16663103 343044033 /nfs/dbraw/zinc/04/40/33/343044033.db2.gz RMSBMILECANKNX-UHFFFAOYSA-N 1 0 193.290 1.891 50 0 ADAARO Cc1c[n+]2ccccc2n1C 16512400 343044059 /nfs/dbraw/zinc/04/40/59/343044059.db2.gz VBMAESVNWQFMMD-UHFFFAOYSA-N 1 0 147.201 1.072 50 0 ADAARO CCCCC(=O)NC1CC[NH+](C)CC1 16604141 343044186 /nfs/dbraw/zinc/04/41/86/343044186.db2.gz UVGUVYDFTLPORM-UHFFFAOYSA-N 1 0 198.310 1.387 50 0 ADAARO Cc1ccc(OCC(N)=[NH2+])cc1 16648157 343044283 /nfs/dbraw/zinc/04/42/83/343044283.db2.gz GNNCNKKBHNXZED-UHFFFAOYSA-N 1 0 164.208 1.310 50 0 ADAARO C[C@H](CO)[NH2+]C1CCCCC1 16929885 343044750 /nfs/dbraw/zinc/04/47/50/343044750.db2.gz XPWWRSIBXKFKTA-MRVPVSSYSA-N 1 0 157.257 1.290 50 0 ADAARO C[NH2+]CCCOc1ccccc1F 16941934 343045222 /nfs/dbraw/zinc/04/52/22/343045222.db2.gz TWZJXWNTOQIRIV-UHFFFAOYSA-N 1 0 183.226 1.814 50 0 in-vitro ADAARO CCC[NH2+][C@@H]1CCCC[C@H]1O 19092508 343050594 /nfs/dbraw/zinc/05/05/94/343050594.db2.gz SXOCCHYQGUFUDW-RKDXNWHRSA-N 1 0 157.257 1.290 50 0 in-vitro ADAARO Cc1cc(C(=[NH2+])NO)cc(C)c1O 17011053 343045703 /nfs/dbraw/zinc/04/57/03/343045703.db2.gz LGSHQFVAOQWNAS-UHFFFAOYSA-N 1 0 180.207 1.313 50 0 ADAARO NC(=[NH2+])NN=Cc1ccccc1Cl 17324235 343046248 /nfs/dbraw/zinc/04/62/48/343046248.db2.gz PDWJALXSRRSUHR-UHFFFAOYSA-N 1 0 196.641 1.157 50 0 ADAARO CC[C@@](O)(C[NH3+])c1ccccc1 17287580 343046329 /nfs/dbraw/zinc/04/63/29/343046329.db2.gz ULFJMPCWXPSJQL-SNVBAGLBSA-N 1 0 165.236 1.243 50 0 ADAARO CC1(C)CC([NH3+])CC(C)(C)O1 17418737 343046796 /nfs/dbraw/zinc/04/67/96/343046796.db2.gz PCQWQLYLZRJDLA-UHFFFAOYSA-N 1 0 157.257 1.681 50 0 ADAARO C[NH2+]CCCc1c(C)nn(C)c1C 18052646 343047964 /nfs/dbraw/zinc/04/79/64/343047964.db2.gz PYEQQDLYLMQKHW-UHFFFAOYSA-N 1 0 181.283 1.189 50 0 in-vitro ADAARO Cc1cc[nH+]c(N)c1C1CC1 18342756 343048338 /nfs/dbraw/zinc/04/83/38/343048338.db2.gz YQWOAHJDBWFKIT-UHFFFAOYSA-N 1 0 148.209 1.850 50 0 ADAARO C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 18505177 343048378 /nfs/dbraw/zinc/04/83/78/343048378.db2.gz YXMLAIMCNQXPSH-DTWKUNHWSA-N 1 0 139.242 1.738 50 0 ADAARO CC1=CC[C@H]2C[NH2+]C[C@H]2C1 18507961 343048470 /nfs/dbraw/zinc/04/84/70/343048470.db2.gz OVBKKDSRBCCWSP-DTWKUNHWSA-N 1 0 137.226 1.562 50 0 in-vitro ADAARO CC1(C)Cc2cc(C[NH3+])ccc2O1 19087624 343049152 /nfs/dbraw/zinc/04/91/52/343049152.db2.gz TVVYGQVELAATAQ-UHFFFAOYSA-N 1 0 177.247 1.859 50 0 in-vitro ADAARO CCc1noc(C)c1C[NH3+] 19042555 343049176 /nfs/dbraw/zinc/04/91/76/343049176.db2.gz MQUDDYGQTBAJOB-UHFFFAOYSA-N 1 0 140.186 1.004 50 0 in-vitro ADAARO Cc1cccnc1N1CCC[NH2+]CC1 19015162 343049209 /nfs/dbraw/zinc/04/92/09/343049209.db2.gz ATUSBQCZIPECGZ-UHFFFAOYSA-N 1 0 191.278 1.190 50 0 in-vitro ADAARO CN(C)c1cc[nH+]cc1 19075763 343049223 /nfs/dbraw/zinc/04/92/23/343049223.db2.gz VHYFNPMBLIVWCW-UHFFFAOYSA-N 1 0 122.171 1.148 50 0 in-vitro ADAARO C[C@H]([NH3+])Cc1ccsc1 19088291 343049330 /nfs/dbraw/zinc/04/93/30/343049330.db2.gz RTEQDZAVAQTCOK-LURJTMIESA-N 1 0 141.239 1.638 50 0 in-vitro ADAARO C[NH2+]CC[C@H]1CCCCO1 19087878 343049338 /nfs/dbraw/zinc/04/93/38/343049338.db2.gz BTHOXOWVAORCIM-MRVPVSSYSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO C[NH2+]CC[C@@H]1CCCCO1 19087874 343049349 /nfs/dbraw/zinc/04/93/49/343049349.db2.gz BTHOXOWVAORCIM-QMMMGPOBSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO Cc1nc(CC[NH3+])nc2c1CCCC2 19088236 343049399 /nfs/dbraw/zinc/04/93/99/343049399.db2.gz AAJGKNIYTPCGLM-UHFFFAOYSA-N 1 0 191.278 1.165 50 0 in-vitro ADAARO Cc1nc(C[NH3+])nc2c1CCCC2 19088229 343049462 /nfs/dbraw/zinc/04/94/62/343049462.db2.gz MDBOUHXUPNVKKN-UHFFFAOYSA-N 1 0 177.251 1.123 50 0 ADAARO Cc1ncsc1CCC[NH3+] 19088318 343049469 /nfs/dbraw/zinc/04/94/69/343049469.db2.gz RLXNSYFCHGOIHX-UHFFFAOYSA-N 1 0 156.254 1.343 50 0 in-vitro ADAARO Cc1cc(N)c2cc(N)ccc2[nH+]1 19074675 343049471 /nfs/dbraw/zinc/04/94/71/343049471.db2.gz XKDPIURMGBVXAB-UHFFFAOYSA-N 1 0 173.219 1.708 50 0 in-vitro ADAARO CCCC[C@@H]([NH3+])CC(=O)OCC 19089754 343049623 /nfs/dbraw/zinc/04/96/23/343049623.db2.gz JNGBZUJKBCAYEA-MRVPVSSYSA-N 1 0 173.256 1.457 50 0 ADAARO Cc1nccn1CC[C@@H]1CCCC[NH2+]1 19089479 343049627 /nfs/dbraw/zinc/04/96/27/343049627.db2.gz MKRROSUSQSOCPI-NSHDSACASA-N 1 0 193.294 1.724 50 0 ADAARO Cc1nccn1CC[C@H]1CCCC[NH2+]1 19089482 343049657 /nfs/dbraw/zinc/04/96/57/343049657.db2.gz MKRROSUSQSOCPI-LLVKDONJSA-N 1 0 193.294 1.724 50 0 ADAARO CCc1ccc(C[NH3+])nc1 19089458 343049715 /nfs/dbraw/zinc/04/97/15/343049715.db2.gz MSBCLZATKZFKNU-UHFFFAOYSA-N 1 0 136.198 1.103 50 0 ADAARO CC[C@H](C)CC(N)=[NH2+] 19089834 343049780 /nfs/dbraw/zinc/04/97/80/343049780.db2.gz MONVAZUNBHXPRN-YFKPBYRVSA-N 1 0 114.192 1.359 50 0 ADAARO CCCC[C@H]([NH3+])CC(=O)OCC 19089756 343049807 /nfs/dbraw/zinc/04/98/07/343049807.db2.gz JNGBZUJKBCAYEA-QMMMGPOBSA-N 1 0 173.256 1.457 50 0 ADAARO CC(C)c1noc([C@@H]2CCC[NH2+]2)n1 19089604 343049824 /nfs/dbraw/zinc/04/98/24/343049824.db2.gz GSWFRCZSMPURBZ-ZETCQYMHSA-N 1 0 181.239 1.618 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccccc1-n1cccn1 19090140 343049834 /nfs/dbraw/zinc/04/98/34/343049834.db2.gz ZMQFFVHJPHXLGZ-VIFPVBQESA-N 1 0 187.246 1.892 50 0 in-vitro ADAARO CCc1nc(C[NH3+])cs1 19089816 343049843 /nfs/dbraw/zinc/04/98/43/343049843.db2.gz HZZPGOJICYGVTC-UHFFFAOYSA-N 1 0 142.227 1.164 50 0 ADAARO Cc1cccnc1C[C@H](C)[NH3+] 19089267 343049879 /nfs/dbraw/zinc/04/98/79/343049879.db2.gz NTUIIOHWZULYBI-QMMMGPOBSA-N 1 0 150.225 1.280 50 0 in-vitro ADAARO CC(C)c1noc([C@H]2CCC[NH2+]2)n1 19089608 343049908 /nfs/dbraw/zinc/04/99/08/343049908.db2.gz GSWFRCZSMPURBZ-SSDOTTSWSA-N 1 0 181.239 1.618 50 0 in-vitro ADAARO CCc1ccc(C[NH2+]C)nc1 19089461 343049913 /nfs/dbraw/zinc/04/99/13/343049913.db2.gz QJGRCDJXXYZILE-UHFFFAOYSA-N 1 0 150.225 1.363 50 0 in-vitro ADAARO CCn1cc(C[NH2+]C(C)C)cn1 19089140 343049938 /nfs/dbraw/zinc/04/99/38/343049938.db2.gz KWQPUHNIFAGYSP-UHFFFAOYSA-N 1 0 167.256 1.401 50 0 ADAARO Cc1nn(C)c(C)c1C[NH2+]CC(C)C 19089153 343049942 /nfs/dbraw/zinc/04/99/42/343049942.db2.gz PQFSUJBYPWDJLZ-UHFFFAOYSA-N 1 0 195.310 1.783 50 0 in-vitro ADAARO Cc1nn(C(C)C)c(C)c1C[NH3+] 19089129 343049959 /nfs/dbraw/zinc/04/99/59/343049959.db2.gz XHIVHOMPHCAFGV-UHFFFAOYSA-N 1 0 167.256 1.540 50 0 in-vitro ADAARO CCc1csc(CC[NH3+])n1 19089813 343049978 /nfs/dbraw/zinc/04/99/78/343049978.db2.gz AZWYYKMFGQUDMM-UHFFFAOYSA-N 1 0 156.254 1.207 50 0 ADAARO Cc1cccnc1C[C@@H](C)[NH3+] 19089264 343049994 /nfs/dbraw/zinc/04/99/94/343049994.db2.gz NTUIIOHWZULYBI-MRVPVSSYSA-N 1 0 150.225 1.280 50 0 in-vitro ADAARO C[NH2+]CCC1CCOCC1 19089194 343050006 /nfs/dbraw/zinc/05/00/06/343050006.db2.gz AFRJSXZUSJELQD-UHFFFAOYSA-N 1 0 143.230 1.023 50 0 in-vitro ADAARO Cc1cccn2c(C[NH3+])cnc12 19091590 343050144 /nfs/dbraw/zinc/05/01/44/343050144.db2.gz PSDUDKHRMOLAJK-UHFFFAOYSA-N 1 0 161.208 1.101 50 0 in-vitro ADAARO CCC1(CC)C[NH2+]CCO1 19091048 343050128 /nfs/dbraw/zinc/05/01/28/343050128.db2.gz LASBQIGGDYZBRE-UHFFFAOYSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO Cc1cc(C)n([C@@H]2CC[NH2+]C2)n1 19091014 343050130 /nfs/dbraw/zinc/05/01/30/343050130.db2.gz QIHBXSYHLABMSM-SECBINFHSA-N 1 0 165.240 1.034 50 0 in-vitro ADAARO C[NH2+]CCC[C@H]1CCCO1 19090887 343050131 /nfs/dbraw/zinc/05/01/31/343050131.db2.gz SLKWAGFQOAXGGP-QMMMGPOBSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO CC[C@H]([NH3+])c1ccccn1 19091456 343050134 /nfs/dbraw/zinc/05/01/34/343050134.db2.gz ARIBPNACTHQUIK-ZETCQYMHSA-N 1 0 136.198 1.491 50 0 in-vitro ADAARO CC[C@H]([NH2+]C)c1ccccn1 19091464 343050161 /nfs/dbraw/zinc/05/01/61/343050161.db2.gz PZDVEUZUKAGTFJ-QMMMGPOBSA-N 1 0 150.225 1.752 50 0 in-vitro ADAARO Cc1cc(C)n([C@H]2CC[NH2+]C2)n1 19091018 343050179 /nfs/dbraw/zinc/05/01/79/343050179.db2.gz QIHBXSYHLABMSM-VIFPVBQESA-N 1 0 165.240 1.034 50 0 in-vitro ADAARO CC[C@H]([NH3+])c1cccnc1 19091641 343050211 /nfs/dbraw/zinc/05/02/11/343050211.db2.gz VQGKOCARCUCUMC-QMMMGPOBSA-N 1 0 136.198 1.491 50 0 in-vitro ADAARO CCC1(CC)CC[NH2+]C1 19091011 343050213 /nfs/dbraw/zinc/05/02/13/343050213.db2.gz MHFVZMTVFSGIBV-UHFFFAOYSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO Cc1ccc(CN(C)C(N)=[NH2+])cc1 19090448 343050215 /nfs/dbraw/zinc/05/02/15/343050215.db2.gz DEMJUSZCFLEJGN-UHFFFAOYSA-N 1 0 177.251 1.320 50 0 ADAARO C[C@H]1C[C@H](C)C[NH+](CCCCO)C1 19091207 343050229 /nfs/dbraw/zinc/05/02/29/343050229.db2.gz LICXUVQWKVAKPC-QWRGUYRKSA-N 1 0 185.311 1.737 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])c1cccnc1 19091659 343050250 /nfs/dbraw/zinc/05/02/50/343050250.db2.gz KOFGVEKRYFDMED-VIFPVBQESA-N 1 0 150.225 1.737 50 0 in-vitro ADAARO C[C@H]1C[C@@H](C)C[N@H+](CCCCO)C1 19091202 343050252 /nfs/dbraw/zinc/05/02/52/343050252.db2.gz LICXUVQWKVAKPC-PHIMTYICSA-N 1 0 185.311 1.737 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])c1ccccn1 19091471 343050254 /nfs/dbraw/zinc/05/02/54/343050254.db2.gz DQKQDUXKROXADZ-VIFPVBQESA-N 1 0 150.225 1.737 50 0 in-vitro ADAARO Cc1ccc(NCCC[NH3+])nc1 19091519 343050269 /nfs/dbraw/zinc/05/02/69/343050269.db2.gz JWNZOQZHIZZXOY-UHFFFAOYSA-N 1 0 165.240 1.151 50 0 in-vitro ADAARO C[C@H]([NH3+])C1=CCCCC1 19090999 343050273 /nfs/dbraw/zinc/05/02/73/343050273.db2.gz DYOAYILVQKBJOT-ZETCQYMHSA-N 1 0 125.215 1.834 50 0 ADAARO Cc1cc(C(F)(F)F)nc(C[NH3+])n1 19090573 343050277 /nfs/dbraw/zinc/05/02/77/343050277.db2.gz XUTNJYLLZGPDTJ-UHFFFAOYSA-N 1 0 191.156 1.263 50 0 in-vitro ADAARO CCCC1([NH3+])CC1 19091110 343050281 /nfs/dbraw/zinc/05/02/81/343050281.db2.gz ZADCUMFVTUWSAW-UHFFFAOYSA-N 1 0 99.177 1.278 50 0 ADAARO CC[C@@H]([NH3+])c1cccnc1 19091638 343050304 /nfs/dbraw/zinc/05/03/04/343050304.db2.gz VQGKOCARCUCUMC-MRVPVSSYSA-N 1 0 136.198 1.491 50 0 in-vitro ADAARO CCCC(=O)C1CC[NH2+]CC1 19091550 343050308 /nfs/dbraw/zinc/05/03/08/343050308.db2.gz FLOUMEVOEWHLKB-UHFFFAOYSA-N 1 0 155.241 1.355 50 0 in-vitro ADAARO CC[C@@H]([NH3+])c1ccccn1 19091453 343050315 /nfs/dbraw/zinc/05/03/15/343050315.db2.gz ARIBPNACTHQUIK-SSDOTTSWSA-N 1 0 136.198 1.491 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])c1cccnc1 19091655 343050345 /nfs/dbraw/zinc/05/03/45/343050345.db2.gz KOFGVEKRYFDMED-SECBINFHSA-N 1 0 150.225 1.737 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])c1ccccn1 19091467 343050358 /nfs/dbraw/zinc/05/03/58/343050358.db2.gz DQKQDUXKROXADZ-SECBINFHSA-N 1 0 150.225 1.737 50 0 in-vitro ADAARO Cc1ccc2n[nH]c(C[NH3+])c2c1 19092369 343050623 /nfs/dbraw/zinc/05/06/23/343050623.db2.gz YPJDAMOTHFUFQE-UHFFFAOYSA-N 1 0 161.208 1.330 50 0 in-vitro ADAARO CCn1nc(C[NH3+])c2ccccc21 19092701 343050631 /nfs/dbraw/zinc/05/06/31/343050631.db2.gz QLNZFAIMLJLEKL-UHFFFAOYSA-N 1 0 175.235 1.515 50 0 in-vitro ADAARO Cc1nc(C)c(C[NH3+])s1 19092408 343050678 /nfs/dbraw/zinc/05/06/78/343050678.db2.gz ODTDYSAMTDHVSL-UHFFFAOYSA-N 1 0 142.227 1.219 50 0 in-vitro ADAARO CCc1ccccc1OC1C[NH2+]C1 19091802 343050688 /nfs/dbraw/zinc/05/06/88/343050688.db2.gz NJGYOWSWKXYISQ-UHFFFAOYSA-N 1 0 177.247 1.600 50 0 in-vitro ADAARO Cc1cccnc1[C@@H](C)[NH3+] 19092606 343050700 /nfs/dbraw/zinc/05/07/00/343050700.db2.gz PWLIYNAODUMYSS-SSDOTTSWSA-N 1 0 136.198 1.410 50 0 in-vitro ADAARO Cc1cccnc1[C@H]([NH3+])C1CC1 19092866 343050716 /nfs/dbraw/zinc/05/07/16/343050716.db2.gz LBRBZJUBGVFGGD-SECBINFHSA-N 1 0 162.236 1.800 50 0 in-vitro ADAARO CCc1nc(C)c(C[NH3+])s1 19092637 343050728 /nfs/dbraw/zinc/05/07/28/343050728.db2.gz CSPLHIGERKRTEJ-UHFFFAOYSA-N 1 0 156.254 1.473 50 0 ADAARO CCc1nccn1CC1(C[NH3+])CC1 19091852 343050742 /nfs/dbraw/zinc/05/07/42/343050742.db2.gz NPTBUGNUIWFNCG-UHFFFAOYSA-N 1 0 179.267 1.184 50 0 in-vitro ADAARO CCC1(C[NH3+])CCC1 19091827 343050759 /nfs/dbraw/zinc/05/07/59/343050759.db2.gz YXHXWNKVIZEDET-UHFFFAOYSA-N 1 0 113.204 1.525 50 0 in-vitro ADAARO Cc1ccc2c(c1)c(C[NH3+])nn2C 19092335 343050780 /nfs/dbraw/zinc/05/07/80/343050780.db2.gz JSJULHWQCDKODV-UHFFFAOYSA-N 1 0 175.235 1.340 50 0 in-vitro ADAARO CCc1cccc(OC2C[NH2+]C2)c1 19091813 343050798 /nfs/dbraw/zinc/05/07/98/343050798.db2.gz XVCVJCHQPWGDCY-UHFFFAOYSA-N 1 0 177.247 1.600 50 0 in-vitro ADAARO Cc1cccnc1[C@@H]([NH3+])C1CC1 19092864 343050836 /nfs/dbraw/zinc/05/08/36/343050836.db2.gz LBRBZJUBGVFGGD-VIFPVBQESA-N 1 0 162.236 1.800 50 0 in-vitro ADAARO CC[C@H]([NH3+])c1ncccc1C 19091983 343050864 /nfs/dbraw/zinc/05/08/64/343050864.db2.gz KYBITTXNIHENDH-QMMMGPOBSA-N 1 0 150.225 1.800 50 0 in-vitro ADAARO Cc1cccc(OC2C[NH2+]C2)c1 19091795 343050874 /nfs/dbraw/zinc/05/08/74/343050874.db2.gz JBYYBRKRSBFVSE-UHFFFAOYSA-N 1 0 163.220 1.346 50 0 ADAARO Cc1cccc(C)c1OC1C[NH2+]C1 19091799 343050885 /nfs/dbraw/zinc/05/08/85/343050885.db2.gz KWVYNBCMSWIINH-UHFFFAOYSA-N 1 0 177.247 1.654 50 0 in-vitro ADAARO CCC[NH2+]C1CC1 19092819 343050891 /nfs/dbraw/zinc/05/08/91/343050891.db2.gz DAOWJXCNVJBLNI-UHFFFAOYSA-N 1 0 99.177 1.148 50 0 in-vitro ADAARO Cc1ccc(NC(=O)[C@@H](C)[NH3+])c(F)c1 19093293 343051093 /nfs/dbraw/zinc/05/10/93/343051093.db2.gz XGYLFDYWWCUFGE-SSDOTTSWSA-N 1 0 196.225 1.420 50 0 in-vitro ADAARO CCCC[C@@H]1C=CC[NH2+]1 19093316 343051115 /nfs/dbraw/zinc/05/11/15/343051115.db2.gz NFNHZXVXPGOQMF-MRVPVSSYSA-N 1 0 125.215 1.705 50 0 ADAARO Cc1cc(F)ccc1NC(=O)CC[NH3+] 19093272 343051119 /nfs/dbraw/zinc/05/11/19/343051119.db2.gz JPBUXUZPRQZQEP-UHFFFAOYSA-N 1 0 196.225 1.421 50 0 in-vitro ADAARO Cc1ccc(NC(=O)C[NH3+])c(F)c1 19093221 343051122 /nfs/dbraw/zinc/05/11/22/343051122.db2.gz QWBRCHHQVZQHMI-UHFFFAOYSA-N 1 0 182.198 1.031 50 0 in-vitro ADAARO Cc1ccc(NC(=O)[C@H](C)[NH3+])c(F)c1 19093295 343051129 /nfs/dbraw/zinc/05/11/29/343051129.db2.gz XGYLFDYWWCUFGE-ZETCQYMHSA-N 1 0 196.225 1.420 50 0 in-vitro ADAARO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH3+] 19093207 343051133 /nfs/dbraw/zinc/05/11/33/343051133.db2.gz LRLANKZFVCBTMO-SSDOTTSWSA-N 1 0 196.225 1.420 50 0 in-vitro ADAARO CC(C)c1nnsc1C[NH3+] 19093169 343051144 /nfs/dbraw/zinc/05/11/44/343051144.db2.gz IDQSJMPKMIGWHP-UHFFFAOYSA-N 1 0 157.242 1.120 50 0 in-vitro ADAARO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH3+] 19093209 343051148 /nfs/dbraw/zinc/05/11/48/343051148.db2.gz LRLANKZFVCBTMO-ZETCQYMHSA-N 1 0 196.225 1.420 50 0 in-vitro ADAARO Cc1cc(F)ccc1NC(=O)[C@H](C)[NH3+] 19093269 343051152 /nfs/dbraw/zinc/05/11/52/343051152.db2.gz VWIJYTLNVUJJLI-ZETCQYMHSA-N 1 0 196.225 1.420 50 0 ADAARO Cc1ccc(F)cc1NC(=O)C[NH3+] 19093231 343051158 /nfs/dbraw/zinc/05/11/58/343051158.db2.gz BGDTTYPNQBSNCU-UHFFFAOYSA-N 1 0 182.198 1.031 50 0 in-vitro ADAARO CC(C)[C@H]1C=CC[NH2+]1 19093129 343051187 /nfs/dbraw/zinc/05/11/87/343051187.db2.gz VPBZZPRTEVQRDI-SSDOTTSWSA-N 1 0 111.188 1.170 50 0 in-vitro ADAARO Cc1ccc(F)cc1NC(=O)CC[NH3+] 19093274 343051213 /nfs/dbraw/zinc/05/12/13/343051213.db2.gz IQGHPTVPSYIDBL-UHFFFAOYSA-N 1 0 196.225 1.421 50 0 in-vitro ADAARO CCCC[C@H]1C=CC[NH2+]1 19093314 343051222 /nfs/dbraw/zinc/05/12/22/343051222.db2.gz NFNHZXVXPGOQMF-QMMMGPOBSA-N 1 0 125.215 1.705 50 0 ADAARO C[NH2+]CCOc1c(C)cccc1C 19094202 343051507 /nfs/dbraw/zinc/05/15/07/343051507.db2.gz KFWKGYLRGRMIES-UHFFFAOYSA-N 1 0 179.263 1.902 50 0 in-vitro ADAARO C[NH2+]CCSc1ccccc1 19094237 343051584 /nfs/dbraw/zinc/05/15/84/343051584.db2.gz DLDHEZJFNPKHCW-UHFFFAOYSA-N 1 0 167.277 1.998 50 0 in-vitro ADAARO Cc1cc(C)[nH+]c(N)c1 19118456 343051590 /nfs/dbraw/zinc/05/15/90/343051590.db2.gz BRBUBVKGJRPRRD-UHFFFAOYSA-N 1 0 122.171 1.281 50 0 in-vivo ADAARO C[C@H]([NH3+])c1ccc(NC(N)=O)cc1 19261122 343052544 /nfs/dbraw/zinc/05/25/44/343052544.db2.gz JAKQIIOIZBBZSL-LURJTMIESA-N 1 0 179.223 1.197 50 0 in-vitro ADAARO CN(C)[C@H](C[NH3+])c1cccc(Cl)c1 19201723 343052029 /nfs/dbraw/zinc/05/20/29/343052029.db2.gz MSSOZCIZQIKCDH-SNVBAGLBSA-N 1 0 198.697 1.901 50 0 in-vitro ADAARO CN(C)CC[NH2+]Cc1ccsc1 19256342 343052071 /nfs/dbraw/zinc/05/20/71/343052071.db2.gz AQFCIMZHLZBDBG-UHFFFAOYSA-N 1 0 184.308 1.399 50 0 ADAARO CN(C)[C@@H](C[NH3+])c1cccc(Cl)c1 19201721 343052109 /nfs/dbraw/zinc/05/21/09/343052109.db2.gz MSSOZCIZQIKCDH-JTQLQIEISA-N 1 0 198.697 1.901 50 0 in-vitro ADAARO C[C@H](N)C[NH+]1C[C@H](C)C[C@@H](C)C1 19257883 343052160 /nfs/dbraw/zinc/05/21/60/343052160.db2.gz JYXDJWHFBOONFW-BBBLOLIVSA-N 1 0 170.300 1.312 50 0 in-vitro ADAARO CC(C)[NH+](CCN)C(C)C 19230158 343052176 /nfs/dbraw/zinc/05/21/76/343052176.db2.gz CURJNMSGPBXOGK-UHFFFAOYSA-N 1 0 144.262 1.064 50 0 ADAARO CN(C)[C@@H](C[NH3+])c1ccsc1 19260834 343052403 /nfs/dbraw/zinc/05/24/03/343052403.db2.gz JLSSIEXZXYNSOE-QMMMGPOBSA-N 1 0 170.281 1.310 50 0 ADAARO C[C@H]1Cc2ccccc2N1CCC[NH3+] 19265686 343052414 /nfs/dbraw/zinc/05/24/14/343052414.db2.gz KSXVGIDENYOTMO-JTQLQIEISA-N 1 0 190.290 1.786 50 0 ADAARO CCCC[N@@H+]1CCCNCC1 19260558 343052432 /nfs/dbraw/zinc/05/24/32/343052432.db2.gz GPWLJZCPRQGUMM-UHFFFAOYSA-N 1 0 156.273 1.082 50 0 ADAARO CC(C)[N@@H+]1CCc2nc(N)sc2C1 19260218 343052447 /nfs/dbraw/zinc/05/24/47/343052447.db2.gz BXIPZMYZBYKUBQ-UHFFFAOYSA-N 1 0 197.307 1.492 50 0 in-vitro ADAARO CC(C)OCCCC[NH3+] 19266545 343052542 /nfs/dbraw/zinc/05/25/42/343052542.db2.gz CRGNMXJCFVVNLK-UHFFFAOYSA-N 1 0 131.219 1.150 50 0 ADAARO CCCCN(C)c1ccc(C[NH3+])cn1 19270473 343052477 /nfs/dbraw/zinc/05/24/77/343052477.db2.gz RTXOPHDJPSRHTB-UHFFFAOYSA-N 1 0 193.294 1.777 50 0 ADAARO Cc1nc(C(C)(C)[NH3+])sc1C 19721894 343059066 /nfs/dbraw/zinc/05/90/66/343059066.db2.gz HJWRHDJXXOCCBQ-UHFFFAOYSA-N 1 0 170.281 1.954 50 0 in-vitro ADAARO C[C@H]1CCCC[C@@H]1OCC[NH3+] 19269694 343052575 /nfs/dbraw/zinc/05/25/75/343052575.db2.gz WVAVJUUVJFWPJM-IUCAKERBSA-N 1 0 157.257 1.540 50 0 ADAARO CCCC(=O)Nc1ccc(C[NH3+])cc1 19270848 343052642 /nfs/dbraw/zinc/05/26/42/343052642.db2.gz MFCHTXFKGHYLIG-UHFFFAOYSA-N 1 0 192.262 1.884 50 0 ADAARO C[C@H]([NH3+])COc1cccc(F)c1 19262214 343052678 /nfs/dbraw/zinc/05/26/78/343052678.db2.gz KQNWMBRZAOIDBK-ZETCQYMHSA-N 1 0 169.199 1.552 50 0 in-vitro ADAARO CC(C)Oc1cc(C[NH3+])ccn1 19273654 343052701 /nfs/dbraw/zinc/05/27/01/343052701.db2.gz QMZPLCOKXAKKSW-UHFFFAOYSA-N 1 0 166.224 1.328 50 0 in-vitro ADAARO C[C@H](C[NH3+])N(C)Cc1ccccc1 19281489 343052833 /nfs/dbraw/zinc/05/28/33/343052833.db2.gz LSPPTXRFKXECFR-SNVBAGLBSA-N 1 0 178.279 1.466 50 0 in-vitro ADAARO C[C@H]1Cc2ccccc2N1CC[NH3+] 19278191 343052876 /nfs/dbraw/zinc/05/28/76/343052876.db2.gz RHHPLMVQTQHOJJ-VIFPVBQESA-N 1 0 176.263 1.396 50 0 in-vitro ADAARO C[NH2+]CC(=O)Nc1cccc(C)c1 19279590 343052885 /nfs/dbraw/zinc/05/28/85/343052885.db2.gz AABBXCOIMSHCCT-UHFFFAOYSA-N 1 0 178.235 1.153 50 0 ADAARO CCC(CC)C(=O)N1CCC([NH3+])CC1 19282870 343052906 /nfs/dbraw/zinc/05/29/06/343052906.db2.gz WCWNHWJGSIEEBV-UHFFFAOYSA-N 1 0 198.310 1.372 50 0 in-vitro ADAARO CC(C)Oc1ccc(C[NH3+])cn1 19281902 343052952 /nfs/dbraw/zinc/05/29/52/343052952.db2.gz ZAXOTNRUSOIDKV-UHFFFAOYSA-N 1 0 166.224 1.328 50 0 ADAARO C[NH+](C)Cc1ccc(Cl)nc1 19282673 343052962 /nfs/dbraw/zinc/05/29/62/343052962.db2.gz HVWFBPPAYRVHFD-UHFFFAOYSA-N 1 0 170.643 1.797 50 0 in-vitro ADAARO C[C@H]([NH3+])Cc1c(F)cccc1F 19282453 343052966 /nfs/dbraw/zinc/05/29/66/343052966.db2.gz GNBMPMFCGJHGMN-LURJTMIESA-N 1 0 171.190 1.855 50 0 in-vitro ADAARO C[N@@H+]1CCC[C@H]1c1cccnc1N 19300070 343052985 /nfs/dbraw/zinc/05/29/85/343052985.db2.gz IFQQQYVVFJFUMU-VIFPVBQESA-N 1 0 177.251 1.431 50 0 biogenic,in-vitro ADAARO C[C@H](NCC[NH3+])c1ccccc1 19369328 343053175 /nfs/dbraw/zinc/05/31/75/343053175.db2.gz PPLYZPAMMOECNS-VIFPVBQESA-N 1 0 164.252 1.296 50 0 in-vitro ADAARO CN(C)[C@@H](C[NH3+])c1ccccc1 19366115 343053191 /nfs/dbraw/zinc/05/31/91/343053191.db2.gz NFSAPTWLWWYADB-JTQLQIEISA-N 1 0 164.252 1.248 50 0 in-vitro ADAARO CN(C)[C@H]1CCCC[C@@H]1[NH+](C)C 19366765 343053286 /nfs/dbraw/zinc/05/32/86/343053286.db2.gz DVDGHRQOLYEZAE-UWVGGRQHSA-N 1 0 170.300 1.421 50 0 ADAARO CN(C)[C@@H]1CCCC[C@@H]1[NH+](C)C 19366763 343053309 /nfs/dbraw/zinc/05/33/09/343053309.db2.gz DVDGHRQOLYEZAE-AOOOYVTPSA-N 1 0 170.300 1.421 50 0 ADAARO CCC[NH2+]CCN(CC)CC 19365596 343053485 /nfs/dbraw/zinc/05/34/85/343053485.db2.gz WIJFXKFYVBYDTA-UHFFFAOYSA-N 1 0 158.289 1.328 50 0 ADAARO C[NH2+]CCN(C)Cc1ccccc1 19365680 343053517 /nfs/dbraw/zinc/05/35/17/343053517.db2.gz PVFIKWLTVKSXED-UHFFFAOYSA-N 1 0 178.279 1.338 50 0 ADAARO CN(C)CC[NH2+]Cc1ccccc1 19366399 343053557 /nfs/dbraw/zinc/05/35/57/343053557.db2.gz LLSJAFHDYCTFCM-UHFFFAOYSA-N 1 0 178.279 1.338 50 0 ADAARO CCCC[NH+](CCN)CCCC 19365841 343053566 /nfs/dbraw/zinc/05/35/66/343053566.db2.gz PWNDYKKNXVKQJO-UHFFFAOYSA-N 1 0 172.316 1.847 50 0 in-vitro ADAARO CN(C)[C@H](C[NH3+])c1ccccc1 19369368 343053571 /nfs/dbraw/zinc/05/35/71/343053571.db2.gz NFSAPTWLWWYADB-SNVBAGLBSA-N 1 0 164.252 1.248 50 0 in-vitro ADAARO CCCCC(=O)NC1CC[NH2+]CC1 19384484 343053879 /nfs/dbraw/zinc/05/38/79/343053879.db2.gz WZBDIZFFBBEIPQ-UHFFFAOYSA-N 1 0 184.283 1.045 50 0 ADAARO CN(C)[C@H](C[NH3+])c1ccccc1F 19391532 343053949 /nfs/dbraw/zinc/05/39/49/343053949.db2.gz SHXWXJULVODFTN-SNVBAGLBSA-N 1 0 182.242 1.387 50 0 in-vitro ADAARO CC(C)Oc1ncccc1C[NH3+] 19398401 343054035 /nfs/dbraw/zinc/05/40/35/343054035.db2.gz WVDJPTOJLZXHJV-UHFFFAOYSA-N 1 0 166.224 1.328 50 0 in-vitro ADAARO CCCC[N@H+](CC)CCN 19384918 343054048 /nfs/dbraw/zinc/05/40/48/343054048.db2.gz ZLXMDIPUMLDZDQ-UHFFFAOYSA-N 1 0 144.262 1.067 50 0 ADAARO C[NH2+]CC(=O)Nc1cccc(Cl)c1 19400164 343054065 /nfs/dbraw/zinc/05/40/65/343054065.db2.gz LGDBZEAQDWZKIZ-UHFFFAOYSA-N 1 0 198.653 1.498 50 0 in-vitro ADAARO CC[C@H](C)[NH2+]C1CC1 19385963 343054087 /nfs/dbraw/zinc/05/40/87/343054087.db2.gz QONIUYZZEKLXQB-LURJTMIESA-N 1 0 113.204 1.537 50 0 ADAARO CCCCNC(=O)[C@@H]1CCCC[NH2+]1 19412693 343054292 /nfs/dbraw/zinc/05/42/92/343054292.db2.gz AFMQOXCZTGWEOE-VIFPVBQESA-N 1 0 184.283 1.045 50 0 ADAARO CC[C@H](C)NC(=O)[C@@H]1CCCC[NH2+]1 19411103 343054304 /nfs/dbraw/zinc/05/43/04/343054304.db2.gz RHEQOXRQIHTPKP-IUCAKERBSA-N 1 0 184.283 1.043 50 0 ADAARO C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 19409103 343054310 /nfs/dbraw/zinc/05/43/10/343054310.db2.gz WTPTXPITMDBKKO-VHSXEESVSA-N 1 0 196.294 1.139 50 0 ADAARO CCCCN(C)c1ncccc1C[NH3+] 19405594 343054347 /nfs/dbraw/zinc/05/43/47/343054347.db2.gz GBRAFOCKFRIYGK-UHFFFAOYSA-N 1 0 193.294 1.777 50 0 ADAARO C[C@H]([NH3+])Cc1ccccc1O 19404070 343054360 /nfs/dbraw/zinc/05/43/60/343054360.db2.gz BCYNCBWCTHFJIU-ZETCQYMHSA-N 1 0 151.209 1.282 50 0 ADAARO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 19408183 343054447 /nfs/dbraw/zinc/05/44/47/343054447.db2.gz NMIFPUMLJRWMFZ-RKDXNWHRSA-N 1 0 184.283 1.029 50 0 in-vitro ADAARO CCCCNC(=O)[C@H]1CCCC[NH2+]1 19412695 343054451 /nfs/dbraw/zinc/05/44/51/343054451.db2.gz AFMQOXCZTGWEOE-SECBINFHSA-N 1 0 184.283 1.045 50 0 ADAARO CCCCN(C)C(=O)[C@@H]1CCC[NH2+]C1 19413288 343054470 /nfs/dbraw/zinc/05/44/70/343054470.db2.gz MGPYAQHPAHYRLX-SNVBAGLBSA-N 1 0 198.310 1.245 50 0 ADAARO CC[C@H](C)NC(=O)[C@H]1CCCC[NH2+]1 19411107 343054484 /nfs/dbraw/zinc/05/44/84/343054484.db2.gz RHEQOXRQIHTPKP-DTWKUNHWSA-N 1 0 184.283 1.043 50 0 ADAARO CCCCCN1CC[NH2+]CC1 19402624 343054491 /nfs/dbraw/zinc/05/44/91/343054491.db2.gz MJWWNBHUIIRNDZ-UHFFFAOYSA-N 1 0 156.273 1.082 50 0 in-vitro ADAARO CCCN(CCC)C(=O)[C@H]1CCC[NH2+]1 19409798 343054609 /nfs/dbraw/zinc/05/46/09/343054609.db2.gz FXURDCQKEXALKA-SNVBAGLBSA-N 1 0 198.310 1.387 50 0 ADAARO CN(C)CC[NH2+]C1CCCCC1 19406714 343054619 /nfs/dbraw/zinc/05/46/19/343054619.db2.gz YIQANRYYROXQJY-UHFFFAOYSA-N 1 0 170.300 1.470 50 0 in-vitro ADAARO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 19408185 343054632 /nfs/dbraw/zinc/05/46/32/343054632.db2.gz NMIFPUMLJRWMFZ-DTWKUNHWSA-N 1 0 184.283 1.029 50 0 in-vitro ADAARO CC(C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 19408189 343054633 /nfs/dbraw/zinc/05/46/33/343054633.db2.gz NMIFPUMLJRWMFZ-IUCAKERBSA-N 1 0 184.283 1.029 50 0 in-vitro ADAARO CCCCN(C)C(=O)[C@H]1CCCC[NH2+]1 19408736 343054637 /nfs/dbraw/zinc/05/46/37/343054637.db2.gz GCYGDERTFQMMHL-SNVBAGLBSA-N 1 0 198.310 1.387 50 0 ADAARO CCCCNC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 19434758 343054991 /nfs/dbraw/zinc/05/49/91/343054991.db2.gz VWMDCAFVHXEDOP-ZJUUUORDSA-N 1 0 198.310 1.291 50 0 in-vitro ADAARO C[C@H]1C[C@@H](C)C[N@@H+](C(C)(C)CN)C1 19432861 343055081 /nfs/dbraw/zinc/05/50/81/343055081.db2.gz ZNZYNDGDFJIBTF-AOOOYVTPSA-N 1 0 184.327 1.702 50 0 in-vitro ADAARO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CN)C1 19432863 343055186 /nfs/dbraw/zinc/05/51/86/343055186.db2.gz ZNZYNDGDFJIBTF-UWVGGRQHSA-N 1 0 184.327 1.702 50 0 in-vitro ADAARO CCCCNC(=O)[C@H]1CC[C@H](C)[NH2+]C1 19434762 343055085 /nfs/dbraw/zinc/05/50/85/343055085.db2.gz VWMDCAFVHXEDOP-UWVGGRQHSA-N 1 0 198.310 1.291 50 0 in-vitro ADAARO CCCCNC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 19434760 343055180 /nfs/dbraw/zinc/05/51/80/343055180.db2.gz VWMDCAFVHXEDOP-VHSXEESVSA-N 1 0 198.310 1.291 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C)C1 19440818 343055537 /nfs/dbraw/zinc/05/55/37/343055537.db2.gz UBZFFQTZCMDNDG-ZJUUUORDSA-N 1 0 198.310 1.228 50 0 ADAARO CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C)C1 19440822 343055671 /nfs/dbraw/zinc/05/56/71/343055671.db2.gz UBZFFQTZCMDNDG-UWVGGRQHSA-N 1 0 198.310 1.228 50 0 ADAARO C[C@H]1CCC[N@@H+](C(C)(C)CN)C1 19472288 343055709 /nfs/dbraw/zinc/05/57/09/343055709.db2.gz KOVSIJWAXFLXHK-VIFPVBQESA-N 1 0 170.300 1.456 50 0 in-vitro ADAARO CCC(CC)[NH+]1CCC(=O)CC1 19471088 343055736 /nfs/dbraw/zinc/05/57/36/343055736.db2.gz NUWRORAIHKGQGZ-UHFFFAOYSA-N 1 0 169.268 1.840 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H](C)C1 19440820 343055805 /nfs/dbraw/zinc/05/58/05/343055805.db2.gz UBZFFQTZCMDNDG-VHSXEESVSA-N 1 0 198.310 1.228 50 0 ADAARO CC(C)OC1CC[NH2+]CC1 19479577 343056170 /nfs/dbraw/zinc/05/61/70/343056170.db2.gz RKGXJBAAWCGBQA-UHFFFAOYSA-N 1 0 143.230 1.163 50 0 ADAARO CC(C)[C@@H]([NH3+])C(=O)N1CCCCCC1 19476033 343056198 /nfs/dbraw/zinc/05/61/98/343056198.db2.gz HBAGBQFDEPESAM-SNVBAGLBSA-N 1 0 198.310 1.372 50 0 ADAARO C[C@H]1CCCC[N@@H+]1CC(N)=S 19486806 343056249 /nfs/dbraw/zinc/05/62/49/343056249.db2.gz DSDUMJBZNKJMIX-ZETCQYMHSA-N 1 0 172.297 1.147 50 0 in-vitro ADAARO CCC[NH2+][C@@H]1C(=O)Nc2ccccc21 19481335 343056296 /nfs/dbraw/zinc/05/62/96/343056296.db2.gz IYBZFUAHHZTKDG-JTQLQIEISA-N 1 0 190.246 1.679 50 0 ADAARO C[NH+](C)Cc1cccc(C(N)=S)c1 19487010 343056352 /nfs/dbraw/zinc/05/63/52/343056352.db2.gz GJLMWZAGMQHFAP-UHFFFAOYSA-N 1 0 194.303 1.382 50 0 in-vitro ADAARO CC(C)OCCOC1CC[NH2+]CC1 19488591 343056527 /nfs/dbraw/zinc/05/65/27/343056527.db2.gz QFXUVUTWGVBESE-UHFFFAOYSA-N 1 0 187.283 1.180 50 0 in-vitro ADAARO CCC[NH2+]C1CCN(C)CC1 19488792 343056538 /nfs/dbraw/zinc/05/65/38/343056538.db2.gz JLIXDTSZENGGOT-UHFFFAOYSA-N 1 0 156.273 1.080 50 0 ADAARO CC(C)[C@@H]([NH3+])c1nnc2ccccn12 19488559 343056641 /nfs/dbraw/zinc/05/66/41/343056641.db2.gz MECUKSMMKPCGQW-SECBINFHSA-N 1 0 190.250 1.385 50 0 in-vitro ADAARO C[C@H]1CCC[C@@](CN)([NH+](C)C)C1 19509066 343056646 /nfs/dbraw/zinc/05/66/46/343056646.db2.gz PEUFZDVXZCCLLT-VHSXEESVSA-N 1 0 170.300 1.456 50 0 in-vitro ADAARO CC(C)Oc1ccc(C(N)=[NH2+])cn1 19504745 343056663 /nfs/dbraw/zinc/05/66/63/343056663.db2.gz TZTZTZQAKZYSFR-UHFFFAOYSA-N 1 0 179.223 1.153 50 0 in-vitro ADAARO CCCCN(C)C(=O)[C@H]([NH3+])C(C)C 19488580 343056672 /nfs/dbraw/zinc/05/66/72/343056672.db2.gz MTADOTHMMKWQIN-SECBINFHSA-N 1 0 186.299 1.228 50 0 ADAARO CC1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 19509896 343056681 /nfs/dbraw/zinc/05/66/81/343056681.db2.gz BRHRZZLYIWUTFX-SNVBAGLBSA-N 1 0 198.310 1.228 50 0 ADAARO C[C@H]1CCC[C@](CN)([NH+](C)C)C1 19509070 343056712 /nfs/dbraw/zinc/05/67/12/343056712.db2.gz PEUFZDVXZCCLLT-UWVGGRQHSA-N 1 0 170.300 1.456 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])C(=O)Nc1ccccc1 19504127 343056761 /nfs/dbraw/zinc/05/67/61/343056761.db2.gz OVQXACDDVLRVJX-SNVBAGLBSA-N 1 0 192.262 1.608 50 0 ADAARO CC(C)[C@@H]([NH3+])C(=O)NC1CCCC1 19504032 343056768 /nfs/dbraw/zinc/05/67/68/343056768.db2.gz GRJJRKRYXRWSAK-SECBINFHSA-N 1 0 184.283 1.029 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])c1nnc2ccccn12 19488560 343056777 /nfs/dbraw/zinc/05/67/77/343056777.db2.gz MECUKSMMKPCGQW-VIFPVBQESA-N 1 0 190.250 1.385 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1C 19518017 343057036 /nfs/dbraw/zinc/05/70/36/343057036.db2.gz DDTXBHAYTWILLZ-ZJUUUORDSA-N 1 0 198.310 1.371 50 0 ADAARO CCCCN(C)C[C@@H]1CCCC[NH2+]1 19512209 343057058 /nfs/dbraw/zinc/05/70/58/343057058.db2.gz NBZDCZFHUHVLNK-NSHDSACASA-N 1 0 184.327 1.860 50 0 ADAARO CC(C)OCC1CC[NH2+]CC1 19514633 343057069 /nfs/dbraw/zinc/05/70/69/343057069.db2.gz ZHMLFMJZFONRNC-UHFFFAOYSA-N 1 0 157.257 1.411 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C 19518015 343057177 /nfs/dbraw/zinc/05/71/77/343057177.db2.gz DDTXBHAYTWILLZ-UWVGGRQHSA-N 1 0 198.310 1.371 50 0 ADAARO Cc1nn(C(C)(C)C)c(C)c1C[NH3+] 19510523 343057182 /nfs/dbraw/zinc/05/71/82/343057182.db2.gz DCZUHXFSOGEOJW-UHFFFAOYSA-N 1 0 181.283 1.714 50 0 in-vitro ADAARO CC(C)NC(=O)[C@H]([NH3+])c1ccccc1 19516821 343057217 /nfs/dbraw/zinc/05/72/17/343057217.db2.gz AOCWCZLEZLZYQF-SNVBAGLBSA-N 1 0 192.262 1.211 50 0 ADAARO Cc1ccc(NC(=O)C[NH3+])cc1F 19514718 343057227 /nfs/dbraw/zinc/05/72/27/343057227.db2.gz HOCGKJDXVIZQGH-UHFFFAOYSA-N 1 0 182.198 1.031 50 0 ADAARO CN(C)CC[N@H+](C)C[C@@H]1CC=CCC1 19634989 343057352 /nfs/dbraw/zinc/05/73/52/343057352.db2.gz GACWGUYXVNKKDR-GFCCVEGCSA-N 1 0 196.338 1.836 50 0 ADAARO C[C@H]1CCC[C@H]([NH+]2CCN(C)CC2)C1 19636731 343057375 /nfs/dbraw/zinc/05/73/75/343057375.db2.gz DVJAMUPZNMBWQZ-RYUDHWBXSA-N 1 0 196.338 1.813 50 0 ADAARO CCc1cccc(NC(=O)C[NH3+])c1 19519269 343057389 /nfs/dbraw/zinc/05/73/89/343057389.db2.gz FXOLTVDHQDJELC-UHFFFAOYSA-N 1 0 178.235 1.146 50 0 in-vitro ADAARO C[C@H]1CC[C@H]([N@H+](C)CCN(C)C)C1 19642237 343057484 /nfs/dbraw/zinc/05/74/84/343057484.db2.gz DLTSRPPQOXORJH-QWRGUYRKSA-N 1 0 184.327 1.668 50 0 ADAARO CN1CC[NH+](Cc2cccs2)CC1 19536282 343057501 /nfs/dbraw/zinc/05/75/01/343057501.db2.gz GNSXUKLYOCSYSS-UHFFFAOYSA-N 1 0 196.319 1.496 50 0 ADAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C)CC2)C1 19636720 343057512 /nfs/dbraw/zinc/05/75/12/343057512.db2.gz DVJAMUPZNMBWQZ-VXGBXAGGSA-N 1 0 196.338 1.813 50 0 ADAARO CN(CC[NH+](C)C)Cc1ccccc1 19607024 343057531 /nfs/dbraw/zinc/05/75/31/343057531.db2.gz IZWSMPBRVDZXBV-UHFFFAOYSA-N 1 0 192.306 1.680 50 0 ADAARO CN(C)[C@H](C[NH3+])c1ccccc1Cl 19581467 343057546 /nfs/dbraw/zinc/05/75/46/343057546.db2.gz JXJCCQYPULQIKT-SNVBAGLBSA-N 1 0 198.697 1.901 50 0 in-vitro ADAARO CC1CCC([NH+]2CCN(C)CC2)CC1 19635994 343057578 /nfs/dbraw/zinc/05/75/78/343057578.db2.gz VOZGXUBPIRWRMB-UHFFFAOYSA-N 1 0 196.338 1.813 50 0 ADAARO C[N@@H+]1CCCN(Cc2ccco2)CC1 19537159 343057581 /nfs/dbraw/zinc/05/75/81/343057581.db2.gz LSCSTYOSEHNAJO-UHFFFAOYSA-N 1 0 194.278 1.417 50 0 ADAARO CN1CC[NH+](C[C@@H]2CC=CCC2)CC1 19634053 343057597 /nfs/dbraw/zinc/05/75/97/343057597.db2.gz MNSXGGSJCICUSF-GFCCVEGCSA-N 1 0 194.322 1.590 50 0 ADAARO C[C@H]1[NH2+]CCc2ccccc21 19624605 343057601 /nfs/dbraw/zinc/05/76/01/343057601.db2.gz QPILYVQSKNWRDD-MRVPVSSYSA-N 1 0 147.221 1.893 50 0 in-vitro ADAARO CN(C)CC[N@H+](C)C[C@H]1CC=CCC1 19634986 343057609 /nfs/dbraw/zinc/05/76/09/343057609.db2.gz GACWGUYXVNKKDR-LBPRGKRZSA-N 1 0 196.338 1.836 50 0 ADAARO C[NH2+]CCN(C)c1ccccc1 19685465 343057870 /nfs/dbraw/zinc/05/78/70/343057870.db2.gz AIIUZOINSAAJMM-UHFFFAOYSA-N 1 0 164.252 1.342 50 0 in-vitro ADAARO Cc1cc2cc(C[NH3+])ccc2[nH]c1=O 19684746 343057896 /nfs/dbraw/zinc/05/78/96/343057896.db2.gz ACWUXEQESIQIJB-UHFFFAOYSA-N 1 0 188.230 1.295 50 0 ADAARO Cc1nccc([C@H]2CCC[NH2+]2)n1 19686156 343057912 /nfs/dbraw/zinc/05/79/12/343057912.db2.gz VSUSTXVUWOJMMR-MRVPVSSYSA-N 1 0 163.224 1.210 50 0 ADAARO Cc1cccc(NC(=O)C(C)(C)[NH3+])c1 19672520 343058032 /nfs/dbraw/zinc/05/80/32/343058032.db2.gz SWVGVVJSJCHAKG-UHFFFAOYSA-N 1 0 192.262 1.671 50 0 ADAARO Cc1nccc([C@@H]2CCC[NH2+]C2)n1 19685956 343058074 /nfs/dbraw/zinc/05/80/74/343058074.db2.gz RBDBGBCECZKYOO-SECBINFHSA-N 1 0 177.251 1.252 50 0 in-vitro ADAARO Cc1ccnc([C@@H]2CCCC[NH2+]2)n1 19686170 343058129 /nfs/dbraw/zinc/05/81/29/343058129.db2.gz DQLPLKGLLCNYNY-VIFPVBQESA-N 1 0 177.251 1.600 50 0 ADAARO Cc1ccnc([C@@H]2CCC[NH2+]C2)n1 19686162 343058159 /nfs/dbraw/zinc/05/81/59/343058159.db2.gz PBNGEIURBHPMNA-SECBINFHSA-N 1 0 177.251 1.252 50 0 ADAARO Cc1nccc([C@H]2CCCC[NH2+]2)n1 19686152 343058160 /nfs/dbraw/zinc/05/81/60/343058160.db2.gz XHBAYFLRVQYGAX-SECBINFHSA-N 1 0 177.251 1.600 50 0 ADAARO Cc1ccnc([C@H]2CCC[NH2+]C2)n1 19686164 343058167 /nfs/dbraw/zinc/05/81/67/343058167.db2.gz PBNGEIURBHPMNA-VIFPVBQESA-N 1 0 177.251 1.252 50 0 ADAARO C[C@H](C[NH3+])c1ccc(F)cc1 19675095 343058169 /nfs/dbraw/zinc/05/81/69/343058169.db2.gz YRBRJLWZJHRXBG-SSDOTTSWSA-N 1 0 153.200 1.888 50 0 in-vitro ADAARO Cc1cc(=O)cc(C2CC[NH2+]CC2)[nH]1 19685980 343058216 /nfs/dbraw/zinc/05/82/16/343058216.db2.gz VUOPXSILHOQHRK-UHFFFAOYSA-N 1 0 192.262 1.563 50 0 ADAARO CN(C)[C@H](C[NH3+])c1cccs1 19702313 343058456 /nfs/dbraw/zinc/05/84/56/343058456.db2.gz RVHCVEZJFGCTCX-SSDOTTSWSA-N 1 0 170.281 1.310 50 0 in-vitro ADAARO Cc1cc(=O)cc([C@H]2CCC[NH2+]2)[nH]1 19686302 343058483 /nfs/dbraw/zinc/05/84/83/343058483.db2.gz YAEXFKABSHHPAG-SECBINFHSA-N 1 0 178.235 1.520 50 0 ADAARO Cc1cc(=O)cc([C@H]2CCC[NH2+]C2)[nH]1 19686238 343058485 /nfs/dbraw/zinc/05/84/85/343058485.db2.gz XYCPDETXPNPRSH-VIFPVBQESA-N 1 0 192.262 1.563 50 0 ADAARO Cc1cccc([C@H]2CCC[NH2+]2)n1 19686649 343058497 /nfs/dbraw/zinc/05/84/97/343058497.db2.gz PSIDVXGUGGWTKZ-SECBINFHSA-N 1 0 162.236 1.815 50 0 in-vitro ADAARO CN(C)CC[NH2+]C1CCCC1 19702467 343058502 /nfs/dbraw/zinc/05/85/02/343058502.db2.gz MXTNPQHZAUREOU-UHFFFAOYSA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO Cc1cncc([C@@H]2CCC[NH2+]2)n1 19686631 343058507 /nfs/dbraw/zinc/05/85/07/343058507.db2.gz UYZPIXAFHFXNQB-QMMMGPOBSA-N 1 0 163.224 1.210 50 0 ADAARO Cc1cccc([C@H]2CCC[NH2+]C2)n1 19686612 343058521 /nfs/dbraw/zinc/05/85/21/343058521.db2.gz RKHGUGOSKDTVKE-JTQLQIEISA-N 1 0 176.263 1.857 50 0 ADAARO Cc1c[nH]nc1[C@H]1CCC[NH2+]C1 19686222 343058536 /nfs/dbraw/zinc/05/85/36/343058536.db2.gz LXVFHAHBUWTXCW-QMMMGPOBSA-N 1 0 165.240 1.185 50 0 ADAARO CN(C)c1cccc([C@@H]2CCC[NH2+]2)n1 19686789 343058545 /nfs/dbraw/zinc/05/85/45/343058545.db2.gz RPFMPLDEJWKTMY-VIFPVBQESA-N 1 0 191.278 1.572 50 0 ADAARO CN(C)c1cccc([C@H]2CCC[NH2+]2)n1 19686791 343058550 /nfs/dbraw/zinc/05/85/50/343058550.db2.gz RPFMPLDEJWKTMY-SECBINFHSA-N 1 0 191.278 1.572 50 0 ADAARO Cc1ccc([C@@H]2CCC[NH2+]C2)nc1 19686618 343058556 /nfs/dbraw/zinc/05/85/56/343058556.db2.gz INIWDDNWYUWCBC-SNVBAGLBSA-N 1 0 176.263 1.857 50 0 ADAARO Cc1ccc(C[C@H]2CCC[NH2+]C2)nc1 19686802 343058575 /nfs/dbraw/zinc/05/85/75/343058575.db2.gz PTZXBUGTTUKRLR-LLVKDONJSA-N 1 0 190.290 1.932 50 0 ADAARO Cc1cc(C)nc([C@@H]2CCC[NH2+]2)n1 19686326 343058588 /nfs/dbraw/zinc/05/85/88/343058588.db2.gz FQXURXCPCNLDLO-VIFPVBQESA-N 1 0 177.251 1.518 50 0 ADAARO Cc1ccc(CC2CC[NH2+]CC2)nc1 19686798 343058591 /nfs/dbraw/zinc/05/85/91/343058591.db2.gz LIHGVXGKBREZMV-UHFFFAOYSA-N 1 0 190.290 1.932 50 0 ADAARO Cc1cncnc1[C@H]1CCC[NH2+]C1 19686492 343058597 /nfs/dbraw/zinc/05/85/97/343058597.db2.gz MCRBEHBGSBNXOZ-VIFPVBQESA-N 1 0 177.251 1.252 50 0 ADAARO Cc1ccnc([C@H]2CCC[NH2+]2)n1 19686184 343058598 /nfs/dbraw/zinc/05/85/98/343058598.db2.gz OPWLBSAEKMFVTP-MRVPVSSYSA-N 1 0 163.224 1.210 50 0 ADAARO Cc1noc(C2(C)CC[NH2+]CC2)n1 19686524 343058605 /nfs/dbraw/zinc/05/86/05/343058605.db2.gz XPNWLCXGUBWJGX-UHFFFAOYSA-N 1 0 181.239 1.019 50 0 in-vitro ADAARO Cc1cc(=O)cc([C@@H]2CCC[NH2+]2)[nH]1 19686300 343058606 /nfs/dbraw/zinc/05/86/06/343058606.db2.gz YAEXFKABSHHPAG-VIFPVBQESA-N 1 0 178.235 1.520 50 0 ADAARO Cc1cncc([C@H]2CCC[NH2+]2)n1 19686633 343058618 /nfs/dbraw/zinc/05/86/18/343058618.db2.gz UYZPIXAFHFXNQB-MRVPVSSYSA-N 1 0 163.224 1.210 50 0 ADAARO Cc1cccc([C@@H]2C[NH2+]CCO2)n1 19686876 343058620 /nfs/dbraw/zinc/05/86/20/343058620.db2.gz GACANOMBWRJYBK-JTQLQIEISA-N 1 0 178.235 1.051 50 0 ADAARO Cc1ccc([C@H]2CCC[NH2+]C2)nc1 19686620 343058628 /nfs/dbraw/zinc/05/86/28/343058628.db2.gz INIWDDNWYUWCBC-JTQLQIEISA-N 1 0 176.263 1.857 50 0 ADAARO Cc1cc(C)nc([C@H]2CCC[NH2+]C2)n1 19686324 343058640 /nfs/dbraw/zinc/05/86/40/343058640.db2.gz TXDMQQHSJFXXCR-JTQLQIEISA-N 1 0 191.278 1.560 50 0 ADAARO Cc1c[nH]nc1C1CC[NH2+]CC1 19686200 343058644 /nfs/dbraw/zinc/05/86/44/343058644.db2.gz LFOBDIZBSQDVSY-UHFFFAOYSA-N 1 0 165.240 1.185 50 0 in-vitro ADAARO Cc1cccc([C@H]2C[NH2+]CCO2)n1 19686878 343058649 /nfs/dbraw/zinc/05/86/49/343058649.db2.gz GACANOMBWRJYBK-SNVBAGLBSA-N 1 0 178.235 1.051 50 0 ADAARO CN(C)[C@@H](C[NH3+])c1cccs1 19702311 343058676 /nfs/dbraw/zinc/05/86/76/343058676.db2.gz RVHCVEZJFGCTCX-ZETCQYMHSA-N 1 0 170.281 1.310 50 0 in-vitro ADAARO Cc1c[nH]nc1[C@@H]1CCC[NH2+]C1 19686220 343058678 /nfs/dbraw/zinc/05/86/78/343058678.db2.gz LXVFHAHBUWTXCW-MRVPVSSYSA-N 1 0 165.240 1.185 50 0 ADAARO Cc1nccnc1[C@@H]1CCC[NH2+]1 19686635 343058689 /nfs/dbraw/zinc/05/86/89/343058689.db2.gz LKSMZHZSEACDAJ-QMMMGPOBSA-N 1 0 163.224 1.210 50 0 ADAARO Cc1cc(=O)cc([C@@H]2CCC[NH2+]C2)[nH]1 19686236 343058691 /nfs/dbraw/zinc/05/86/91/343058691.db2.gz XYCPDETXPNPRSH-SECBINFHSA-N 1 0 192.262 1.563 50 0 ADAARO Cc1nccnc1[C@H]1CCC[NH2+]1 19686637 343058708 /nfs/dbraw/zinc/05/87/08/343058708.db2.gz LKSMZHZSEACDAJ-MRVPVSSYSA-N 1 0 163.224 1.210 50 0 ADAARO CC(C)NC(=O)c1ccc(C[NH3+])cc1 19722292 343058858 /nfs/dbraw/zinc/05/88/58/343058858.db2.gz BVDGBUDGPHRCNX-UHFFFAOYSA-N 1 0 192.262 1.284 50 0 ADAARO C[C@H](C[NH3+])C1CCC1 19726262 343058883 /nfs/dbraw/zinc/05/88/83/343058883.db2.gz HTVFIKCPFOGRIQ-ZCFIWIBFSA-N 1 0 113.204 1.381 50 0 ADAARO CC(C)[C@H](C)C[NH3+] 19726168 343058900 /nfs/dbraw/zinc/05/89/00/343058900.db2.gz GBMSZXWHMSSBGP-ZCFIWIBFSA-N 1 0 101.193 1.237 50 0 in-vitro ADAARO Cc1ccc2c(c1)[C@@H]([NH3+])CC2 19727485 343058929 /nfs/dbraw/zinc/05/89/29/343058929.db2.gz FMQGLSSKBZCURE-JTQLQIEISA-N 1 0 147.221 1.941 50 0 in-vitro ADAARO Cc1csc(C(C)(C)[NH3+])n1 19721892 343058966 /nfs/dbraw/zinc/05/89/66/343058966.db2.gz QAMMWXBMUFXQEB-UHFFFAOYSA-N 1 0 156.254 1.645 50 0 in-vitro ADAARO Cc1cccc2c1CC[C@@H]2[NH3+] 19727493 343058972 /nfs/dbraw/zinc/05/89/72/343058972.db2.gz MHIOXTVALGXETC-JTQLQIEISA-N 1 0 147.221 1.941 50 0 in-vitro ADAARO CC(C)NC(=O)c1cccc(C[NH3+])c1 19722448 343058986 /nfs/dbraw/zinc/05/89/86/343058986.db2.gz FAFLYOXNDXWVSR-UHFFFAOYSA-N 1 0 192.262 1.284 50 0 in-vitro ADAARO CC(C)[C@@H](C)C[NH3+] 19726167 343059007 /nfs/dbraw/zinc/05/90/07/343059007.db2.gz GBMSZXWHMSSBGP-LURJTMIESA-N 1 0 101.193 1.237 50 0 in-vitro ADAARO CCCNC(=O)c1cccc(C[NH3+])c1 19722452 343059055 /nfs/dbraw/zinc/05/90/55/343059055.db2.gz FDZOGUWYAAPRKR-UHFFFAOYSA-N 1 0 192.262 1.285 50 0 in-vitro ADAARO Cc1ccc([C@H](C[NH3+])N(C)C)cc1 19735750 343059461 /nfs/dbraw/zinc/05/94/61/343059461.db2.gz BBSADQGXHDVVCU-NSHDSACASA-N 1 0 178.279 1.556 50 0 in-vitro ADAARO Cc1cccc(CNCC[NH3+])c1 19732668 343059302 /nfs/dbraw/zinc/05/93/02/343059302.db2.gz IDBLZFZHJHWCFG-UHFFFAOYSA-N 1 0 164.252 1.043 50 0 ADAARO CN1CC[NH2+]C[C@@H]1c1ccccc1 19735519 343059329 /nfs/dbraw/zinc/05/93/29/343059329.db2.gz FUGQHVIDCRUGMP-LLVKDONJSA-N 1 0 176.263 1.263 50 0 ADAARO CN(C)C[C@@H]([NH3+])c1ccccc1 19735617 343059357 /nfs/dbraw/zinc/05/93/57/343059357.db2.gz NPGAXSHDDOESHB-SNVBAGLBSA-N 1 0 164.252 1.248 50 0 in-vitro ADAARO CNC(=O)CC[NH2+]C1CCCCC1 19736972 343059372 /nfs/dbraw/zinc/05/93/72/343059372.db2.gz IJCYCRSMCCLDFG-UHFFFAOYSA-N 1 0 184.283 1.045 50 0 ADAARO CN(C)CC[NH2+]Cc1cccs1 19735350 343059383 /nfs/dbraw/zinc/05/93/83/343059383.db2.gz PDADLYSGRUBJJI-UHFFFAOYSA-N 1 0 184.308 1.399 50 0 in-vitro ADAARO CCC[NH+](CCC)CCN 19735129 343059398 /nfs/dbraw/zinc/05/93/98/343059398.db2.gz DMDXQHYISPCTGF-UHFFFAOYSA-N 1 0 144.262 1.067 50 0 in-vitro ADAARO C[C@H]([NH2+]CCC(N)=O)c1ccccc1 19736894 343059445 /nfs/dbraw/zinc/05/94/45/343059445.db2.gz HZCIUSQVJMZLEZ-VIFPVBQESA-N 1 0 192.262 1.213 50 0 ADAARO CN(C)[C@@H](C[NH3+])c1cccc(F)c1 19735772 343059467 /nfs/dbraw/zinc/05/94/67/343059467.db2.gz JDBOOJQLAVTZQE-JTQLQIEISA-N 1 0 182.242 1.387 50 0 in-vitro ADAARO C[C@H]1CCC[C@H](C)[NH+]1CCN 19735205 343059472 /nfs/dbraw/zinc/05/94/72/343059472.db2.gz DQQHMRVHTMHDGE-IUCAKERBSA-N 1 0 156.273 1.208 50 0 in-vitro ADAARO CN(C)[C@H](C[NH3+])c1cccc(F)c1 19735773 343059503 /nfs/dbraw/zinc/05/95/03/343059503.db2.gz JDBOOJQLAVTZQE-SNVBAGLBSA-N 1 0 182.242 1.387 50 0 in-vitro ADAARO C[C@H]1CCCC[C@H]1[NH+]1CCNCC1 19735304 343059517 /nfs/dbraw/zinc/05/95/17/343059517.db2.gz ZYJADGWLXSPEIR-WDEREUQCSA-N 1 0 182.311 1.470 50 0 ADAARO CN1CC[NH2+]C[C@H]1c1ccccc1 19735520 343059524 /nfs/dbraw/zinc/05/95/24/343059524.db2.gz FUGQHVIDCRUGMP-NSHDSACASA-N 1 0 176.263 1.263 50 0 ADAARO CN(C)C[C@H]([NH3+])c1ccccc1 19735618 343059552 /nfs/dbraw/zinc/05/95/52/343059552.db2.gz NPGAXSHDDOESHB-JTQLQIEISA-N 1 0 164.252 1.248 50 0 in-vitro ADAARO C[C@H]1CCCC[C@@H]1[NH+]1CCNCC1 19735302 343059565 /nfs/dbraw/zinc/05/95/65/343059565.db2.gz ZYJADGWLXSPEIR-QWRGUYRKSA-N 1 0 182.311 1.470 50 0 ADAARO Cc1ccc(CN2CC[NH2+]CC2)cc1 19735176 343059567 /nfs/dbraw/zinc/05/95/67/343059567.db2.gz RNAXUUAJNMDESG-UHFFFAOYSA-N 1 0 190.290 1.400 50 0 in-vitro ADAARO Cc1ccc([C@@H](C[NH3+])N(C)C)cc1 19735751 343059590 /nfs/dbraw/zinc/05/95/90/343059590.db2.gz BBSADQGXHDVVCU-LLVKDONJSA-N 1 0 178.279 1.556 50 0 in-vitro ADAARO Cc1cccc(CN2CC[NH2+]CC2)c1 19735175 343059594 /nfs/dbraw/zinc/05/95/94/343059594.db2.gz VTEOTZPEMDQENX-UHFFFAOYSA-N 1 0 190.290 1.400 50 0 in-vitro ADAARO C[C@H]([NH3+])c1nc2ccccc2n1C 19734273 343059618 /nfs/dbraw/zinc/05/96/18/343059618.db2.gz RPQJEKDKGMFLHE-ZETCQYMHSA-N 1 0 175.235 1.593 50 0 ADAARO CC[C@H](C)[NH2+]CC1CC1 19738534 343059794 /nfs/dbraw/zinc/05/97/94/343059794.db2.gz RHSXPSUUWHRARR-ZETCQYMHSA-N 1 0 127.231 1.785 50 0 ADAARO C[NH2+]CCN1C[C@@H](C)C[C@@H](C)C1 19737132 343059797 /nfs/dbraw/zinc/05/97/97/343059797.db2.gz PHDFWZDBGJLFLI-AOOOYVTPSA-N 1 0 170.300 1.184 50 0 ADAARO Cc1cccc2[nH]c(CCC[NH3+])nc12 19737049 343059812 /nfs/dbraw/zinc/05/98/12/343059812.db2.gz PIKFDVSAENEGKS-UHFFFAOYSA-N 1 0 189.262 1.763 50 0 ADAARO C[C@H]([NH3+])c1cn2ccccc2n1 19765376 343059820 /nfs/dbraw/zinc/05/98/20/343059820.db2.gz JFYSCZFFBRGSBA-ZETCQYMHSA-N 1 0 161.208 1.354 50 0 in-vitro ADAARO Cc1ccc(CN2CC[NH2+]CC2)s1 19737250 343059896 /nfs/dbraw/zinc/05/98/96/343059896.db2.gz ILYCCUORILQOFP-UHFFFAOYSA-N 1 0 196.319 1.462 50 0 ADAARO C[C@H]1CCC[C@@H](C)[N@@H+]1CCCO 19737138 343059899 /nfs/dbraw/zinc/05/98/99/343059899.db2.gz CRDBTWHALLRFOX-AOOOYVTPSA-N 1 0 171.284 1.632 50 0 ADAARO CC(C)[NH2+]CCN1CCCC[C@H]1C 19737136 343059913 /nfs/dbraw/zinc/05/99/13/343059913.db2.gz OBBQYZWMTSSZBI-LLVKDONJSA-N 1 0 184.327 1.859 50 0 ADAARO C[NH2+]CCN1C[C@@H](C)C[C@H](C)C1 19737134 343059957 /nfs/dbraw/zinc/05/99/57/343059957.db2.gz PHDFWZDBGJLFLI-UWVGGRQHSA-N 1 0 170.300 1.184 50 0 ADAARO Cc1ccn2c(CC[NH3+])cnc2c1 19737030 343059964 /nfs/dbraw/zinc/05/99/64/343059964.db2.gz NHRRUJYZVFEKRA-UHFFFAOYSA-N 1 0 175.235 1.144 50 0 ADAARO Cc1cccc2ncc(C[NH3+])n12 19767716 343059986 /nfs/dbraw/zinc/05/99/86/343059986.db2.gz WLWOZGUOZMZUKJ-UHFFFAOYSA-N 1 0 161.208 1.101 50 0 ADAARO Cc1ccc2ncc(C[NH3+])n2c1 19767715 343060016 /nfs/dbraw/zinc/06/00/16/343060016.db2.gz CUHMZCGKUIOMAO-UHFFFAOYSA-N 1 0 161.208 1.101 50 0 ADAARO C[NH2+]CCN1C[C@H](C)C[C@@H](C)C1 19737133 343060050 /nfs/dbraw/zinc/06/00/50/343060050.db2.gz PHDFWZDBGJLFLI-NXEZZACHSA-N 1 0 170.300 1.184 50 0 ADAARO Cc1ccn2c(C[NH3+])cnc2c1 19767714 343060064 /nfs/dbraw/zinc/06/00/64/343060064.db2.gz DREWDYPXEFVAMR-UHFFFAOYSA-N 1 0 161.208 1.101 50 0 ADAARO C[C@H]1CCC[C@H](C)[NH+]1CCCO 19737139 343060087 /nfs/dbraw/zinc/06/00/87/343060087.db2.gz CRDBTWHALLRFOX-UWVGGRQHSA-N 1 0 171.284 1.632 50 0 ADAARO C[C@H]1CCCC[N@H+]1[C@H](C)CN 19794310 343060198 /nfs/dbraw/zinc/06/01/98/343060198.db2.gz PJDPNPWWAPAAII-DTWKUNHWSA-N 1 0 156.273 1.208 50 0 ADAARO CC(C)c1nnc(C2CC[NH2+]CC2)o1 19780342 343060331 /nfs/dbraw/zinc/06/03/31/343060331.db2.gz QLJCZJYWAWJDIY-UHFFFAOYSA-N 1 0 195.266 1.660 50 0 ADAARO Cc1cccc([C@H](C[NH3+])N(C)C)c1 19795984 343060350 /nfs/dbraw/zinc/06/03/50/343060350.db2.gz WKDGNJWVKPLJCV-NSHDSACASA-N 1 0 178.279 1.556 50 0 ADAARO C[C@H](O)c1ccc(C[NH3+])cc1 19779804 343060358 /nfs/dbraw/zinc/06/03/58/343060358.db2.gz RIYYBTSTPIEMBD-ZETCQYMHSA-N 1 0 151.209 1.199 50 0 in-vitro ADAARO CCc1ccc([C@H](C[NH3+])N(C)C)cc1 19796017 343060379 /nfs/dbraw/zinc/06/03/79/343060379.db2.gz YDUYAUXCQVPGKS-LBPRGKRZSA-N 1 0 192.306 1.810 50 0 in-vitro ADAARO CCc1ccc([C@@H](C[NH3+])N(C)C)cc1 19796016 343060389 /nfs/dbraw/zinc/06/03/89/343060389.db2.gz YDUYAUXCQVPGKS-GFCCVEGCSA-N 1 0 192.306 1.810 50 0 in-vitro ADAARO Cc1cccc([C@@H](C[NH3+])N(C)C)c1 19795987 343060427 /nfs/dbraw/zinc/06/04/27/343060427.db2.gz WKDGNJWVKPLJCV-LLVKDONJSA-N 1 0 178.279 1.556 50 0 ADAARO Cc1ccc(NC2CC[NH2+]CC2)nc1 19802523 343060738 /nfs/dbraw/zinc/06/07/38/343060738.db2.gz ZHESHQYMQHBMLD-UHFFFAOYSA-N 1 0 191.278 1.554 50 0 ADAARO Cc1ccc2c(c1)CC[C@H]2[NH3+] 19810462 343060849 /nfs/dbraw/zinc/06/08/49/343060849.db2.gz GPCQIJHZALEOMP-SNVBAGLBSA-N 1 0 147.221 1.941 50 0 in-vitro ADAARO Cc1ccc2c(c1)CC[C@@H]2[NH3+] 19810460 343060878 /nfs/dbraw/zinc/06/08/78/343060878.db2.gz GPCQIJHZALEOMP-JTQLQIEISA-N 1 0 147.221 1.941 50 0 in-vitro ADAARO CN(C)C[C@H]([NH3+])c1ccc(Cl)cc1 19821304 343061224 /nfs/dbraw/zinc/06/12/24/343061224.db2.gz DRPWRSKKGNNKEQ-JTQLQIEISA-N 1 0 198.697 1.901 50 0 in-vitro ADAARO CN(C)C[C@H]([NH3+])c1cccs1 19821507 343061269 /nfs/dbraw/zinc/06/12/69/343061269.db2.gz DFNDVNBHLCZMDQ-ZETCQYMHSA-N 1 0 170.281 1.310 50 0 ADAARO CN(C)C[C@@H]([NH3+])c1ccc(Cl)cc1 19821302 343061414 /nfs/dbraw/zinc/06/14/14/343061414.db2.gz DRPWRSKKGNNKEQ-SNVBAGLBSA-N 1 0 198.697 1.901 50 0 in-vitro ADAARO CN(C)C[C@@H]([NH3+])c1ccc(F)cc1 19821250 343061459 /nfs/dbraw/zinc/06/14/59/343061459.db2.gz DCPXWPIELFCMFQ-SNVBAGLBSA-N 1 0 182.242 1.387 50 0 ADAARO Cc1ccc(C[NH2+]CCN(C)C)cc1 19831411 343061510 /nfs/dbraw/zinc/06/15/10/343061510.db2.gz HOBWUMPLORYSJV-UHFFFAOYSA-N 1 0 192.306 1.646 50 0 ADAARO CN(C)C[C@H]([NH3+])c1ccc(F)cc1 19821252 343061622 /nfs/dbraw/zinc/06/16/22/343061622.db2.gz DCPXWPIELFCMFQ-JTQLQIEISA-N 1 0 182.242 1.387 50 0 ADAARO CN(C)C[C@@H]([NH3+])c1cccs1 19821505 343061637 /nfs/dbraw/zinc/06/16/37/343061637.db2.gz DFNDVNBHLCZMDQ-SSDOTTSWSA-N 1 0 170.281 1.310 50 0 ADAARO CCCC[N@@H+]1CCCC[C@@H]1CN 19843351 343061810 /nfs/dbraw/zinc/06/18/10/343061810.db2.gz RNIKYSSEZFTHHG-SNVBAGLBSA-N 1 0 170.300 1.600 50 0 in-vitro ADAARO CCC[N@@H+]1CCCC[C@@H]1CN 19843363 343061846 /nfs/dbraw/zinc/06/18/46/343061846.db2.gz RUZPSFUHBCXGLY-SECBINFHSA-N 1 0 156.273 1.210 50 0 ADAARO C[C@H]1C[NH2+]CCN1Cc1ccccc1 19851369 343062024 /nfs/dbraw/zinc/06/20/24/343062024.db2.gz JGEODYUVEMNPPY-NSHDSACASA-N 1 0 190.290 1.480 50 0 in-vitro ADAARO CCC[N@@H+]1CCCC[C@H]1CN 19843364 343062109 /nfs/dbraw/zinc/06/21/09/343062109.db2.gz RUZPSFUHBCXGLY-VIFPVBQESA-N 1 0 156.273 1.210 50 0 ADAARO Cc1ccsc1C[NH2+]CCN(C)C 19872002 343062512 /nfs/dbraw/zinc/06/25/12/343062512.db2.gz HOQVIAASWUNQTM-UHFFFAOYSA-N 1 0 198.335 1.708 50 0 ADAARO Cc1ccc(C[NH2+]CCN(C)C)s1 19872000 343062605 /nfs/dbraw/zinc/06/26/05/343062605.db2.gz ZIUFETONSNKEIK-UHFFFAOYSA-N 1 0 198.335 1.708 50 0 ADAARO Cc1ccc2c(c1)[C@H]([NH3+])CO2 19875252 343062624 /nfs/dbraw/zinc/06/26/24/343062624.db2.gz WGLRJXANNLVGSH-MRVPVSSYSA-N 1 0 149.193 1.387 50 0 ADAARO C[C@H]([NH3+])c1ccc(-n2cccn2)cc1 19872816 343062627 /nfs/dbraw/zinc/06/26/27/343062627.db2.gz BCWSPVPPKRRCPI-VIFPVBQESA-N 1 0 187.246 1.892 50 0 in-vitro ADAARO Cc1ccc2c(c1)[C@@H]([NH3+])CO2 19875253 343062645 /nfs/dbraw/zinc/06/26/45/343062645.db2.gz WGLRJXANNLVGSH-QMMMGPOBSA-N 1 0 149.193 1.387 50 0 ADAARO C[C@H]([NH3+])CN1CCc2ccccc2C1 19852384 343062655 /nfs/dbraw/zinc/06/26/55/343062655.db2.gz KUENUWACNZYNKC-JTQLQIEISA-N 1 0 190.290 1.392 50 0 in-vitro ADAARO CC(C)[NH2+]C[C@@H]1CCOC1 19880921 343062887 /nfs/dbraw/zinc/06/28/87/343062887.db2.gz UTRIWBGYRQZFNK-QMMMGPOBSA-N 1 0 143.230 1.021 50 0 ADAARO CC(C)[NH2+]C[C@H]1CCOC1 19880923 343063040 /nfs/dbraw/zinc/06/30/40/343063040.db2.gz UTRIWBGYRQZFNK-MRVPVSSYSA-N 1 0 143.230 1.021 50 0 ADAARO CC[C@H](C)[NH2+]CCOC 19881711 343063468 /nfs/dbraw/zinc/06/34/68/343063468.db2.gz BXFXGWKIOJCARL-ZETCQYMHSA-N 1 0 131.219 1.021 50 0 in-vitro ADAARO CC(C)N1CC[NH+](C2CCCC2)CC1 19900124 343063819 /nfs/dbraw/zinc/06/38/19/343063819.db2.gz SGFFXDHXCZIMGU-UHFFFAOYSA-N 1 0 196.338 1.955 50 0 ADAARO CC(C)[NH2+]CC1CC1 19884884 343063861 /nfs/dbraw/zinc/06/38/61/343063861.db2.gz GGGLFZBMDMFQQL-UHFFFAOYSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CC(C)[NH2+]CCc1ccccn1 19916694 343064442 /nfs/dbraw/zinc/06/44/42/343064442.db2.gz OUYHOSBITBAACX-UHFFFAOYSA-N 1 0 164.252 1.622 50 0 ADAARO C[C@H]1Cc2ccccc2C[NH2+]1 19928408 343064450 /nfs/dbraw/zinc/06/44/50/343064450.db2.gz UEKQPSAKUNXFHL-QMMMGPOBSA-N 1 0 147.221 1.721 50 0 in-vivo ADAARO CC(C)[NH2+]C1CCC(O)CC1 19918787 343064571 /nfs/dbraw/zinc/06/45/71/343064571.db2.gz XBSCLDFDTURYBS-UHFFFAOYSA-N 1 0 157.257 1.288 50 0 ADAARO CC[C@H](C)[NH2+]C1CCC(O)CC1 19919022 343064549 /nfs/dbraw/zinc/06/45/49/343064549.db2.gz FCMPWSGVGMIEQU-IDKOKCKLSA-N 1 0 171.284 1.678 50 0 ADAARO Cc1c[nH+]c2ccc(N)cn12 19953348 343064968 /nfs/dbraw/zinc/06/49/68/343064968.db2.gz WDSNBPOJRYJXOV-UHFFFAOYSA-N 1 0 147.181 1.225 50 0 in-vitro ADAARO Cc1cn2cc(N)ccc2[nH+]1 19953352 343064981 /nfs/dbraw/zinc/06/49/81/343064981.db2.gz VCSZXPZQTJFSBD-UHFFFAOYSA-N 1 0 147.181 1.225 50 0 in-vitro ADAARO CCCCCO[C@@H]1CCC[NH2+]C1 19965446 343065372 /nfs/dbraw/zinc/06/53/72/343065372.db2.gz ZEHQOQACLUPPLB-SNVBAGLBSA-N 1 0 171.284 1.945 50 0 ADAARO Cc1noc(-c2ccc(C[NH3+])cc2)n1 20014713 343065765 /nfs/dbraw/zinc/06/57/65/343065765.db2.gz SRDGSZSETMYZHP-UHFFFAOYSA-N 1 0 189.218 1.504 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2 19969576 343066039 /nfs/dbraw/zinc/06/60/39/343066039.db2.gz CQWMZWLOIWMFOA-LURJTMIESA-N 1 0 176.219 1.201 50 0 in-vitro ADAARO Cc1cnn(C2CC[NH+](C)CC2)c1N 20051244 343066318 /nfs/dbraw/zinc/06/63/18/343066318.db2.gz ZXGHLPMDSDKGPG-UHFFFAOYSA-N 1 0 194.282 1.040 50 0 ADAARO C[NH2+]CCN(C(C)C)C(C)C 20039315 343066358 /nfs/dbraw/zinc/06/63/58/343066358.db2.gz POBBCNIVOVKLLB-UHFFFAOYSA-N 1 0 158.289 1.325 50 0 in-vitro ADAARO COc1ccc(NCC[NH+](C)C)cc1 20056119 343066633 /nfs/dbraw/zinc/06/66/33/343066633.db2.gz DGUHANJFDCQQPF-UHFFFAOYSA-N 1 0 194.278 1.669 50 0 ADAARO CCCN(CCC)C[C@H]1CCC[NH2+]1 20072220 343066850 /nfs/dbraw/zinc/06/68/50/343066850.db2.gz PWXONSQOSLTEJI-LLVKDONJSA-N 1 0 184.327 1.860 50 0 ADAARO C[NH+](C)C[C@@H]1CNc2ccccc2O1 20074058 343067071 /nfs/dbraw/zinc/06/70/71/343067071.db2.gz SXSPDHMTKDSZBO-VIFPVBQESA-N 1 0 192.262 1.421 50 0 in-vitro ADAARO Cc1ccc(N)c(C[NH+](C)C)c1 20080853 343067103 /nfs/dbraw/zinc/06/71/03/343067103.db2.gz HVBWWYJEFVLUKO-UHFFFAOYSA-N 1 0 164.252 1.639 50 0 in-vitro ADAARO CC(C)N(C)c1ccccc1C[NH3+] 20075548 343067115 /nfs/dbraw/zinc/06/71/15/343067115.db2.gz DGOMQHGYXXPSEL-UHFFFAOYSA-N 1 0 178.279 1.990 50 0 in-vitro ADAARO C[NH+](C)C[C@H]1CNc2ccccc2O1 20074060 343067121 /nfs/dbraw/zinc/06/71/21/343067121.db2.gz SXSPDHMTKDSZBO-SECBINFHSA-N 1 0 192.262 1.421 50 0 in-vitro ADAARO CC[C@H](C)C[NH2+]C 20083838 343067135 /nfs/dbraw/zinc/06/71/35/343067135.db2.gz OSUSHJKMXVMILZ-LURJTMIESA-N 1 0 101.193 1.252 50 0 in-vitro ADAARO CC[C@H](C)[C@@H](C)[NH3+] 20083494 343067183 /nfs/dbraw/zinc/06/71/83/343067183.db2.gz ZFAGOADKDXXTSV-NTSWFWBYSA-N 1 0 101.193 1.380 50 0 in-vitro ADAARO CC[C@H](C)[C@H](C)[NH3+] 20083500 343067296 /nfs/dbraw/zinc/06/72/96/343067296.db2.gz ZFAGOADKDXXTSV-WDSKDSINSA-N 1 0 101.193 1.380 50 0 in-vitro ADAARO CC[C@H]([NH3+])c1cn(C)nc1C 20104079 343067569 /nfs/dbraw/zinc/06/75/69/343067569.db2.gz UDGSAUOMGAGNBT-QMMMGPOBSA-N 1 0 153.229 1.138 50 0 ADAARO CC[C@@H]([NH3+])c1cn(C)nc1C 20104078 343067637 /nfs/dbraw/zinc/06/76/37/343067637.db2.gz UDGSAUOMGAGNBT-MRVPVSSYSA-N 1 0 153.229 1.138 50 0 ADAARO CCCCC[NH2+]CCCOC 20142972 343068158 /nfs/dbraw/zinc/06/81/58/343068158.db2.gz ZAAUEOJGRAIXHU-UHFFFAOYSA-N 1 0 159.273 1.803 50 0 in-vitro ADAARO C[NH+](C)Cc1cc(N)ccc1Cl 20192468 343068438 /nfs/dbraw/zinc/06/84/38/343068438.db2.gz CMEATEQCIZPULA-UHFFFAOYSA-N 1 0 184.670 1.984 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H](O)c1ccc(F)cc1 20216883 343069372 /nfs/dbraw/zinc/06/93/72/343069372.db2.gz NFIUKBOGCIKNNF-IMTBSYHQSA-N 1 0 169.199 1.206 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H](O)c1cccc(F)c1 20216735 343069391 /nfs/dbraw/zinc/06/93/91/343069391.db2.gz DVIIBWRQNLCWLQ-IMTBSYHQSA-N 1 0 169.199 1.206 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H](O)c1c(F)cccc1F 20216755 343069412 /nfs/dbraw/zinc/06/94/12/343069412.db2.gz PDLBZIPDMSHBFD-SSDLBLMSSA-N 1 0 187.189 1.345 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@H](O)c1cccc(F)c1 20216737 343069429 /nfs/dbraw/zinc/06/94/29/343069429.db2.gz DVIIBWRQNLCWLQ-RCOVLWMOSA-N 1 0 169.199 1.206 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H](O)c1ccc(F)c(F)c1 20216759 343069465 /nfs/dbraw/zinc/06/94/65/343069465.db2.gz AZGOCEZNGANRJF-SSDLBLMSSA-N 1 0 187.189 1.345 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H](O)c1cccc(Cl)c1 20216855 343069486 /nfs/dbraw/zinc/06/94/86/343069486.db2.gz OYGPLKFNQHPTBG-IMTBSYHQSA-N 1 0 185.654 1.721 50 0 in-vitro ADAARO CCc1nc(C[NH2+]C)cs1 20216479 343069501 /nfs/dbraw/zinc/06/95/01/343069501.db2.gz ZIICHDMODQMHCV-UHFFFAOYSA-N 1 0 156.254 1.425 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@H](O)c1c(F)cccc1F 20216757 343069530 /nfs/dbraw/zinc/06/95/30/343069530.db2.gz PDLBZIPDMSHBFD-CDUCUWFYSA-N 1 0 187.189 1.345 50 0 in-vitro ADAARO Cc1noc(C)c1C[NH2+]C1CC1 20252761 343069884 /nfs/dbraw/zinc/06/98/84/343069884.db2.gz WOQINBWXORXYAX-UHFFFAOYSA-N 1 0 166.224 1.543 50 0 in-vitro ADAARO Cc1ccc(N(C)CC[NH3+])cc1 20239298 343069889 /nfs/dbraw/zinc/06/98/89/343069889.db2.gz SGTBJPAUFXJASD-UHFFFAOYSA-N 1 0 164.252 1.390 50 0 ADAARO Cc1nc(C[NH3+])c2ccccn12 20222743 343069909 /nfs/dbraw/zinc/06/99/09/343069909.db2.gz WODJFFZXEUOKPC-UHFFFAOYSA-N 1 0 161.208 1.101 50 0 ADAARO CCC(=O)Nc1ccc(C[NH3+])cc1 20224314 343069942 /nfs/dbraw/zinc/06/99/42/343069942.db2.gz HNPOHVIHCOBHPK-UHFFFAOYSA-N 1 0 178.235 1.494 50 0 ADAARO CCc1nc2ccccc2n1CC[NH3+] 20223145 343070028 /nfs/dbraw/zinc/07/00/28/343070028.db2.gz JXHFUIWSTBPPFG-UHFFFAOYSA-N 1 0 189.262 1.557 50 0 in-vitro ADAARO C[NH+](C)C[C@H]1CCc2ccccc2N1 20246903 343070043 /nfs/dbraw/zinc/07/00/43/343070043.db2.gz JNRVQHYXILJMRE-LLVKDONJSA-N 1 0 190.290 1.975 50 0 in-vitro ADAARO CN(CCC[NH3+])c1ccccc1F 20239241 343070083 /nfs/dbraw/zinc/07/00/83/343070083.db2.gz CTWCROAQADYWAQ-UHFFFAOYSA-N 1 0 182.242 1.611 50 0 in-vitro ADAARO CC1(C)NC(=S)C(C)(C)[NH2+]1 20230756 343070092 /nfs/dbraw/zinc/07/00/92/343070092.db2.gz BOXUTHGPSCJJCG-UHFFFAOYSA-N 1 0 158.270 1.021 50 0 in-vitro ADAARO C[NH+](C)[C@H]1CCc2ccccc2[C@H]1N 20260366 343070253 /nfs/dbraw/zinc/07/02/53/343070253.db2.gz HJAPAZGVMSKZEY-NWDGAFQWSA-N 1 0 190.290 1.563 50 0 in-vitro ADAARO C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1N 20260364 343070263 /nfs/dbraw/zinc/07/02/63/343070263.db2.gz HJAPAZGVMSKZEY-VXGBXAGGSA-N 1 0 190.290 1.563 50 0 in-vitro ADAARO CC(C)OCC[C@H]1CCCC[NH2+]1 20266667 343070271 /nfs/dbraw/zinc/07/02/71/343070271.db2.gz MSNXIKJSSUESFV-SNVBAGLBSA-N 1 0 171.284 1.944 50 0 in-vitro ADAARO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1N 20260360 343070369 /nfs/dbraw/zinc/07/03/69/343070369.db2.gz HJAPAZGVMSKZEY-NEPJUHHUSA-N 1 0 190.290 1.563 50 0 in-vitro ADAARO CCCC[NH+]1CCOCC1 20254956 343070378 /nfs/dbraw/zinc/07/03/78/343070378.db2.gz LMRKVKPRHROQRR-UHFFFAOYSA-N 1 0 143.230 1.119 50 0 ADAARO C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1N 20260362 343070394 /nfs/dbraw/zinc/07/03/94/343070394.db2.gz HJAPAZGVMSKZEY-RYUDHWBXSA-N 1 0 190.290 1.563 50 0 in-vitro ADAARO C[C@H]1C[NH2+]CC2(CCCCC2)O1 20262982 343070481 /nfs/dbraw/zinc/07/04/81/343070481.db2.gz PAKWDSYXCRDNJZ-VIFPVBQESA-N 1 0 169.268 1.698 50 0 ADAARO CC(C)OCC[C@@H]1CCCC[NH2+]1 20266665 343070502 /nfs/dbraw/zinc/07/05/02/343070502.db2.gz MSNXIKJSSUESFV-JTQLQIEISA-N 1 0 171.284 1.944 50 0 in-vitro ADAARO CN1CC[NH2+]C[C@H]1c1ccccc1F 20268278 343070668 /nfs/dbraw/zinc/07/06/68/343070668.db2.gz XDEGAOYPBFQQAL-NSHDSACASA-N 1 0 194.253 1.402 50 0 in-vitro ADAARO Cc1cccc2c(C[NH3+])c[nH]c12 20269168 343070673 /nfs/dbraw/zinc/07/06/73/343070673.db2.gz UYJUWZDPVUPVRD-UHFFFAOYSA-N 1 0 160.220 1.935 50 0 ADAARO CN1CC[NH2+]C[C@@H]1c1ccccc1F 20268276 343070682 /nfs/dbraw/zinc/07/06/82/343070682.db2.gz XDEGAOYPBFQQAL-LLVKDONJSA-N 1 0 194.253 1.402 50 0 in-vitro ADAARO Cc1cc(N)c(Cl)c[nH+]1 20272696 343070694 /nfs/dbraw/zinc/07/06/94/343070694.db2.gz DTAKYMBVGQAQGE-UHFFFAOYSA-N 1 0 142.589 1.626 50 0 in-vitro ADAARO CC(C)[NH2+]C1CC1 20281771 343070761 /nfs/dbraw/zinc/07/07/61/343070761.db2.gz XWGXFOVSOYMSGT-UHFFFAOYSA-N 1 0 99.177 1.147 50 0 ADAARO CC(C)[C@@H](C)[NH2+]C1CC1 20282038 343070790 /nfs/dbraw/zinc/07/07/90/343070790.db2.gz NMZNLAPAPRESJL-SSDOTTSWSA-N 1 0 127.231 1.783 50 0 in-vitro ADAARO Cc1nc(C2([NH3+])CCCCCC2)no1 20282640 343070889 /nfs/dbraw/zinc/07/08/89/343070889.db2.gz TZYKKCMWYXEFPZ-UHFFFAOYSA-N 1 0 195.266 1.886 50 0 in-vitro ADAARO CN1CC[NH2+]C[C@@H]1c1ccc(F)cc1 20268279 343070898 /nfs/dbraw/zinc/07/08/98/343070898.db2.gz OCWJMPPDFGXEOY-LLVKDONJSA-N 1 0 194.253 1.402 50 0 ADAARO Cc1cc([C@H]2CCC[NH2+]2)no1 20281418 343070948 /nfs/dbraw/zinc/07/09/48/343070948.db2.gz QHCHHBRSMFGRQX-SSDOTTSWSA-N 1 0 152.197 1.408 50 0 in-vitro ADAARO C[NH+](C)CCCNc1ncccc1N 20278664 343070964 /nfs/dbraw/zinc/07/09/64/343070964.db2.gz OVJSDEYZIVOOFI-UHFFFAOYSA-N 1 0 194.282 1.027 50 0 ADAARO Cc1cc([C@@H]2CCC[NH2+]2)no1 20281414 343070982 /nfs/dbraw/zinc/07/09/82/343070982.db2.gz QHCHHBRSMFGRQX-ZETCQYMHSA-N 1 0 152.197 1.408 50 0 in-vitro ADAARO CC(C)[C@H](C)[NH2+]C1CC1 20282041 343070986 /nfs/dbraw/zinc/07/09/86/343070986.db2.gz NMZNLAPAPRESJL-ZETCQYMHSA-N 1 0 127.231 1.783 50 0 in-vitro ADAARO CN1CC[NH2+]C[C@H]1c1ccc(F)cc1 20268280 343070995 /nfs/dbraw/zinc/07/09/95/343070995.db2.gz OCWJMPPDFGXEOY-NSHDSACASA-N 1 0 194.253 1.402 50 0 ADAARO Cc1ccc(NC(=O)C[NH3+])c(Cl)c1 20302444 343071054 /nfs/dbraw/zinc/07/10/54/343071054.db2.gz VRRJHKKJIKUOGS-UHFFFAOYSA-N 1 0 198.653 1.546 50 0 in-vitro ADAARO Cc1cccc(C[NH2+]CCO)c1 20305912 343071063 /nfs/dbraw/zinc/07/10/63/343071063.db2.gz YORIPKCDWWMGQR-UHFFFAOYSA-N 1 0 165.236 1.077 50 0 in-vitro ADAARO Cc1[nH+]c2ccccn2c1N 20357620 343071938 /nfs/dbraw/zinc/07/19/38/343071938.db2.gz KTIGGQXUSNNTRK-UHFFFAOYSA-N 1 0 147.181 1.225 50 0 in-vitro ADAARO Cc1[nH+]c(-c2ccccc2)c(N)n1C 20380843 343072390 /nfs/dbraw/zinc/07/23/90/343072390.db2.gz PVFLXEHLJLHKNZ-UHFFFAOYSA-N 1 0 187.246 1.978 50 0 ADAARO Cc1nccn1-c1cc[nH+]cc1N 20370485 343072393 /nfs/dbraw/zinc/07/23/93/343072393.db2.gz YXUWIKLEKQXBAW-UHFFFAOYSA-N 1 0 174.207 1.158 50 0 in-vitro ADAARO CCCCCCN1CC[NH2+]CC1 20369006 343072434 /nfs/dbraw/zinc/07/24/34/343072434.db2.gz WRFUXAYDZDQDKY-UHFFFAOYSA-N 1 0 170.300 1.472 50 0 in-vitro ADAARO Cc1cc(C)n(-c2cc[nH+]cc2N)n1 20370488 343072489 /nfs/dbraw/zinc/07/24/89/343072489.db2.gz GXKQROUZWRADJE-UHFFFAOYSA-N 1 0 188.234 1.466 50 0 ADAARO C[C@H]([NH3+])c1cscn1 20417914 343072599 /nfs/dbraw/zinc/07/25/99/343072599.db2.gz QNBSQSRLKMIEAH-BYPYZUCNSA-N 1 0 128.200 1.163 50 0 in-vitro ADAARO Cc1cccc(CCC[NH3+])n1 20418263 343072621 /nfs/dbraw/zinc/07/26/21/343072621.db2.gz NJCMXCBIYRJQNN-UHFFFAOYSA-N 1 0 150.225 1.281 50 0 in-vitro ADAARO Cc1cc(C)nc(C[NH3+])c1 20418232 343072808 /nfs/dbraw/zinc/07/28/08/343072808.db2.gz UBRILBGVODOPFV-UHFFFAOYSA-N 1 0 136.198 1.157 50 0 in-vitro ADAARO Cc1cc(CC[NH3+])cc(C)c1O 20424079 343072828 /nfs/dbraw/zinc/07/28/28/343072828.db2.gz LHPWOULSXAINFO-UHFFFAOYSA-N 1 0 165.236 1.510 50 0 in-vitro ADAARO Cc1cc(C)c(C[NH3+])cn1 20418228 343072923 /nfs/dbraw/zinc/07/29/23/343072923.db2.gz DCSKAVJDRSTGDL-UHFFFAOYSA-N 1 0 136.198 1.157 50 0 in-vitro ADAARO Cc1c(C[NH3+])nnn1-c1ccccc1 20390919 343073000 /nfs/dbraw/zinc/07/30/00/343073000.db2.gz CHWXIUBUWXUIIT-UHFFFAOYSA-N 1 0 188.234 1.034 50 0 ADAARO Cc1nc(N2CC[NH2+]CC2)sc1C 20439840 343073155 /nfs/dbraw/zinc/07/31/55/343073155.db2.gz XFKCBYOBDPYRRI-UHFFFAOYSA-N 1 0 197.307 1.170 50 0 ADAARO CC(C)OC[C@@H]1CC[NH2+]C1 20439244 343073160 /nfs/dbraw/zinc/07/31/60/343073160.db2.gz TZAKIUGALYGFPT-MRVPVSSYSA-N 1 0 143.230 1.021 50 0 ADAARO Cc1cn2cc(CC[NH3+])nc2s1 20438796 343073199 /nfs/dbraw/zinc/07/31/99/343073199.db2.gz XXROGQJSTZKFFV-UHFFFAOYSA-N 1 0 181.264 1.205 50 0 ADAARO Cc1nc([C@H]2CCC[NH2+]2)cs1 20439391 343073215 /nfs/dbraw/zinc/07/32/15/343073215.db2.gz YWRBPTPMAPGUPQ-SSDOTTSWSA-N 1 0 168.265 1.876 50 0 in-vitro ADAARO Cc1cc(CC[NH3+])c(C)s1 20439455 343073238 /nfs/dbraw/zinc/07/32/38/343073238.db2.gz WQRVRSVTXKEXDR-UHFFFAOYSA-N 1 0 155.266 1.866 50 0 in-vitro ADAARO Cc1nc([C@@H]2CCC[NH2+]2)cs1 20439386 343073282 /nfs/dbraw/zinc/07/32/82/343073282.db2.gz YWRBPTPMAPGUPQ-ZETCQYMHSA-N 1 0 168.265 1.876 50 0 in-vitro ADAARO CC(C)OC[C@H]1CC[NH2+]C1 20439248 343073473 /nfs/dbraw/zinc/07/34/73/343073473.db2.gz TZAKIUGALYGFPT-QMMMGPOBSA-N 1 0 143.230 1.021 50 0 ADAARO CN(C)CC[NH2+]CC1CCCCC1 20477651 343073992 /nfs/dbraw/zinc/07/39/92/343073992.db2.gz AZIAAHIRDOVXFB-UHFFFAOYSA-N 1 0 184.327 1.718 50 0 in-vitro ADAARO C[NH2+]CCOc1ccc(F)cc1F 20525334 343074251 /nfs/dbraw/zinc/07/42/51/343074251.db2.gz TYVKNOWSCWRHBY-UHFFFAOYSA-N 1 0 187.189 1.563 50 0 ADAARO CC(C)[C@@H](C)NC(=O)C1CC[NH2+]CC1 20523526 343074365 /nfs/dbraw/zinc/07/43/65/343074365.db2.gz LDWLSRVVBRQTNE-SECBINFHSA-N 1 0 198.310 1.147 50 0 in-vitro ADAARO CCC[NH2+]C1CCOCC1 20595311 343074564 /nfs/dbraw/zinc/07/45/64/343074564.db2.gz ZWCXQKMDYCVHJT-UHFFFAOYSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO C[C@H]1C[NH2+]Cc2cccnc21 20973338 343074568 /nfs/dbraw/zinc/07/45/68/343074568.db2.gz ZNOZHRNLWDCANL-ZETCQYMHSA-N 1 0 148.209 1.288 50 0 ADAARO C[C@H]1CCC[N@H+](CCC(=O)N(C)C)C1 20905567 343074592 /nfs/dbraw/zinc/07/45/92/343074592.db2.gz BISRFKSWMGVAPR-JTQLQIEISA-N 1 0 198.310 1.197 50 0 ADAARO C[C@H]1C[NH2+]Cc2ccccc21 20971889 343074761 /nfs/dbraw/zinc/07/47/61/343074761.db2.gz TWIPIAJYKZMIPL-QMMMGPOBSA-N 1 0 147.221 1.893 50 0 in-vitro ADAARO CC[C@@H]([NH2+]CCO)c1ccccc1 20597101 343074789 /nfs/dbraw/zinc/07/47/89/343074789.db2.gz OYVPCGOQMHDTDD-LLVKDONJSA-N 1 0 179.263 1.720 50 0 ADAARO CC[C@H]([NH2+]CCO)c1ccccc1 20597102 343074803 /nfs/dbraw/zinc/07/48/03/343074803.db2.gz OYVPCGOQMHDTDD-NSHDSACASA-N 1 0 179.263 1.720 50 0 ADAARO CC[C@](CO)(c1ccccc1)[NH+](C)C 21299210 343075125 /nfs/dbraw/zinc/07/51/25/343075125.db2.gz JDCWNZJOVSBOLK-LBPRGKRZSA-N 1 0 193.290 1.846 50 0 in-vitro ADAARO C[NH+](C)CC[C@H](O)c1cccs1 21297816 343075129 /nfs/dbraw/zinc/07/51/29/343075129.db2.gz XWCNSHMHUZCRLN-QMMMGPOBSA-N 1 0 185.292 1.733 50 0 in-vitro ADAARO Cc1ccc([C@@H](O)C[NH3+])s1 21949059 343075745 /nfs/dbraw/zinc/07/57/45/343075745.db2.gz NEIZNZWUPNQLKJ-LURJTMIESA-N 1 0 157.238 1.049 50 0 ADAARO CCCCCNC(=O)C1CC[NH2+]CC1 21951939 343076026 /nfs/dbraw/zinc/07/60/26/343076026.db2.gz AQYBWLBGMNEMJU-UHFFFAOYSA-N 1 0 198.310 1.292 50 0 in-vitro ADAARO C[NH2+]CC(C)(C)C 21953085 343076057 /nfs/dbraw/zinc/07/60/57/343076057.db2.gz UQGXHNDRCRTZAC-UHFFFAOYSA-N 1 0 101.193 1.252 50 0 in-vitro ADAARO CC[C@H]([NH3+])c1ccc(C)o1 21949500 343076093 /nfs/dbraw/zinc/07/60/93/343076093.db2.gz YLNWJSHBHAFMAT-ZETCQYMHSA-N 1 0 139.198 1.998 50 0 ADAARO C[C@H]([NH3+])c1ccc2c(c1)CCO2 21950325 343076109 /nfs/dbraw/zinc/07/61/09/343076109.db2.gz QIYXYRNFEROUBV-ZETCQYMHSA-N 1 0 163.220 1.641 50 0 ADAARO C[C@H]([NH3+])c1c(F)cccc1F 21950203 343076131 /nfs/dbraw/zinc/07/61/31/343076131.db2.gz PDPHGCQJDUZZGM-YFKPBYRVSA-N 1 0 157.163 1.985 50 0 in-vitro ADAARO Cc1cc([C@@H](C)[NH3+])c(C)o1 21949873 343076156 /nfs/dbraw/zinc/07/61/56/343076156.db2.gz MTHKKBLSINVYHP-ZCFIWIBFSA-N 1 0 139.198 1.916 50 0 in-vitro ADAARO CC[C@@H]([NH3+])c1ccc(O)cc1 21953210 343076176 /nfs/dbraw/zinc/07/61/76/343076176.db2.gz WTQZYHPAVNTISM-SECBINFHSA-N 1 0 151.209 1.802 50 0 in-vitro ADAARO Cc1ccsc1[C@@H](O)C[NH3+] 21950445 343076180 /nfs/dbraw/zinc/07/61/80/343076180.db2.gz MPRXGIUKEXDKGH-LURJTMIESA-N 1 0 157.238 1.049 50 0 ADAARO Cc1cc([C@H](C)[NH3+])c(C)o1 21949875 343076191 /nfs/dbraw/zinc/07/61/91/343076191.db2.gz MTHKKBLSINVYHP-LURJTMIESA-N 1 0 139.198 1.916 50 0 in-vitro ADAARO CC[C@@H]([NH3+])c1ccc(C)o1 21949498 343076214 /nfs/dbraw/zinc/07/62/14/343076214.db2.gz YLNWJSHBHAFMAT-SSDOTTSWSA-N 1 0 139.198 1.998 50 0 ADAARO CC[C@H]([NH3+])c1ccc(O)cc1 21953213 343076222 /nfs/dbraw/zinc/07/62/22/343076222.db2.gz WTQZYHPAVNTISM-VIFPVBQESA-N 1 0 151.209 1.802 50 0 in-vitro ADAARO CC(C)Cc1cc(C[NH3+])no1 21953332 343076311 /nfs/dbraw/zinc/07/63/11/343076311.db2.gz HGYSMQSHSYGZGG-UHFFFAOYSA-N 1 0 154.213 1.332 50 0 in-vitro ADAARO C[C@H]([NH2+]C1CC1)c1ccccn1 21958424 343076376 /nfs/dbraw/zinc/07/63/76/343076376.db2.gz BPKDBQRPWTWGOA-QMMMGPOBSA-N 1 0 162.236 1.895 50 0 in-vitro ADAARO CC(C)c1n[nH]c2c1C[NH2+]CC2 21953418 343076389 /nfs/dbraw/zinc/07/63/89/343076389.db2.gz ZPSMLHACCMACCN-UHFFFAOYSA-N 1 0 165.240 1.179 50 0 in-vitro ADAARO CCC(=O)Nc1cccc(C[NH3+])c1 21961459 343076398 /nfs/dbraw/zinc/07/63/98/343076398.db2.gz KCLAVYCHXJNDGC-UHFFFAOYSA-N 1 0 178.235 1.494 50 0 ADAARO C[C@H]1CCC[C@H]([NH+]2CCNCC2)C1 21953549 343076514 /nfs/dbraw/zinc/07/65/14/343076514.db2.gz WZVDAEOTVAOPNR-QWRGUYRKSA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO Cc1ccc2[nH]c(C[NH3+])nc2c1C 21953304 343076585 /nfs/dbraw/zinc/07/65/85/343076585.db2.gz GVVHWCQLKPLUNZ-UHFFFAOYSA-N 1 0 175.235 1.638 50 0 ADAARO Cc1cccc(C[NH2+]CCN(C)C)c1 21965012 343076602 /nfs/dbraw/zinc/07/66/02/343076602.db2.gz DOZIDNONBNTWCD-UHFFFAOYSA-N 1 0 192.306 1.646 50 0 in-vitro ADAARO C[C@H]1CCC[C@@H]([NH+]2CCNCC2)C1 21953543 343076643 /nfs/dbraw/zinc/07/66/43/343076643.db2.gz WZVDAEOTVAOPNR-WDEREUQCSA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO C[C@H]([NH2+]CCN(C)C)c1ccccn1 21961411 343076654 /nfs/dbraw/zinc/07/66/54/343076654.db2.gz TUUNCPPDLUENHP-JTQLQIEISA-N 1 0 193.294 1.294 50 0 ADAARO C[NH+](C)[C@@H](CCO)c1ccccc1 21981754 343076700 /nfs/dbraw/zinc/07/67/00/343076700.db2.gz LPTVKPNWVGBWSU-NSHDSACASA-N 1 0 179.263 1.672 50 0 ADAARO C[C@H]1CC(C)(C)C[NH2+]1 21998648 343077561 /nfs/dbraw/zinc/07/75/61/343077561.db2.gz DMLFUWCXZHZERA-LURJTMIESA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[NH+](C)Cc1cnc2ccccn12 22016702 343077826 /nfs/dbraw/zinc/07/78/26/343077826.db2.gz GAYVRFSEJYRVCM-UHFFFAOYSA-N 1 0 175.235 1.396 50 0 in-vitro ADAARO CCC1(C)CC[NH2+]CC1 22073387 343077963 /nfs/dbraw/zinc/07/79/63/343077963.db2.gz FMPQITXSSWLMDT-UHFFFAOYSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO Cc1ncccc1[C@H]1CCC[NH2+]1 22063516 343078071 /nfs/dbraw/zinc/07/80/71/343078071.db2.gz PNNMNLLCHYHPBH-SNVBAGLBSA-N 1 0 162.236 1.815 50 0 in-vitro ADAARO C[N@@H+]1CC[C@H](c2cccnc2)C1 22061537 343078157 /nfs/dbraw/zinc/07/81/57/343078157.db2.gz UEIZUEWXLJOVLD-JTQLQIEISA-N 1 0 162.236 1.501 50 0 in-vitro ADAARO Cc1cncc([C@@H]2CCC[NH2+]2)c1 22063519 343078282 /nfs/dbraw/zinc/07/82/82/343078282.db2.gz ROFRZRRVJWMLMU-JTQLQIEISA-N 1 0 162.236 1.815 50 0 in-vitro ADAARO Cc1ncccc1[C@@H]1CCC[NH2+]1 22063513 343078286 /nfs/dbraw/zinc/07/82/86/343078286.db2.gz PNNMNLLCHYHPBH-JTQLQIEISA-N 1 0 162.236 1.815 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H](O)C1CCCCC1 22116399 343078622 /nfs/dbraw/zinc/07/86/22/343078622.db2.gz GOHOUZHYROOFRU-IONNQARKSA-N 1 0 157.257 1.275 50 0 ADAARO C[NH+](C)CC[C@@H](O)c1cccs1 22114081 343078631 /nfs/dbraw/zinc/07/86/31/343078631.db2.gz XWCNSHMHUZCRLN-MRVPVSSYSA-N 1 0 185.292 1.733 50 0 in-vitro ADAARO CC[C@@H]1CCC[C@@H]1[NH3+] 22129979 343079146 /nfs/dbraw/zinc/07/91/46/343079146.db2.gz VFMPCBSRNCHHKO-RQJHMYQMSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO CN1CCCC[C@@H]1[C@H]1CCCC[NH2+]1 22129778 343079172 /nfs/dbraw/zinc/07/91/72/343079172.db2.gz PAASZFYAZDIBJQ-GHMZBOCLSA-N 1 0 182.311 1.613 50 0 ADAARO CC[C@@H]1CCCC[C@H]1[NH3+] 22130017 343079333 /nfs/dbraw/zinc/07/93/33/343079333.db2.gz QOPVVDFTPKWSFL-HTQZYQBOSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO CC[C@H]1CCCC[C@@H]1[NH3+] 22130016 343079388 /nfs/dbraw/zinc/07/93/88/343079388.db2.gz QOPVVDFTPKWSFL-YUMQZZPRSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO CC[C@H]1CCC[C@@H]1[NH3+] 22129980 343079417 /nfs/dbraw/zinc/07/94/17/343079417.db2.gz VFMPCBSRNCHHKO-BQBZGAKWSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO Cc1nccn1-c1cc(C[NH3+])ccn1 22164097 343079643 /nfs/dbraw/zinc/07/96/43/343079643.db2.gz JKWVFJOYOZHXAY-UHFFFAOYSA-N 1 0 188.234 1.034 50 0 ADAARO Cc1ccc(N2CCC[NH2+]CC2)nc1 22161549 343079733 /nfs/dbraw/zinc/07/97/33/343079733.db2.gz SMKRVCKHWYQEGX-UHFFFAOYSA-N 1 0 191.278 1.190 50 0 ADAARO CN(C)CC[NH2+]Cc1cccc(F)c1 22145159 343079854 /nfs/dbraw/zinc/07/98/54/343079854.db2.gz VDIIWRKMWWZQOY-UHFFFAOYSA-N 1 0 196.269 1.477 50 0 ADAARO Cc1ccc(CC2C[NH2+]C2)cc1 22160891 343079880 /nfs/dbraw/zinc/07/98/80/343079880.db2.gz HQKKVDQATUYFNI-UHFFFAOYSA-N 1 0 161.248 1.757 50 0 ADAARO Cc1cccc(CC2C[NH2+]C2)c1 22160594 343079884 /nfs/dbraw/zinc/07/98/84/343079884.db2.gz FUNFNYONSKLICV-UHFFFAOYSA-N 1 0 161.248 1.757 50 0 ADAARO Cc1nccn1-c1ccc(C[NH3+])cn1 22176140 343080098 /nfs/dbraw/zinc/08/00/98/343080098.db2.gz BXUZWIDXDFAHAF-UHFFFAOYSA-N 1 0 188.234 1.034 50 0 in-vitro ADAARO CC[C@H](CN)[NH+]1CCC(C)CC1 22178013 343080127 /nfs/dbraw/zinc/08/01/27/343080127.db2.gz MPVDGJTZDIASNE-SNVBAGLBSA-N 1 0 170.300 1.456 50 0 ADAARO C[C@H](N)C[N@@H+]1CCC[C@@H](C)C1 22168430 343080149 /nfs/dbraw/zinc/08/01/49/343080149.db2.gz OPSPNTUNGOXOIC-BDAKNGLRSA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO CC[C@@H](CN)[NH+]1CCC(C)CC1 22178010 343080357 /nfs/dbraw/zinc/08/03/57/343080357.db2.gz MPVDGJTZDIASNE-JTQLQIEISA-N 1 0 170.300 1.456 50 0 ADAARO C=CC#C[C@]1(O)C[C@H](C)[NH2+][C@H](C)[C@@H]1C 22204533 343080665 /nfs/dbraw/zinc/08/06/65/343080665.db2.gz LUXZSJCHMZHLSG-YFKTTZPYSA-N 1 0 193.290 1.313 50 0 ADAARO CC(=O)SCC[NH+]1CCCCC1 22203917 343080795 /nfs/dbraw/zinc/08/07/95/343080795.db2.gz LVOYLTITMCKNAG-UHFFFAOYSA-N 1 0 187.308 1.752 50 0 ADAARO CN(C)CC[NH2+]Cc1cccc(O)c1 22218736 343081045 /nfs/dbraw/zinc/08/10/45/343081045.db2.gz VUSLIJKHGUZALY-UHFFFAOYSA-N 1 0 194.278 1.043 50 0 ADAARO C[C@@H]1[NH2+]C(C)(C)[C@H](C)NC1(C)C 22239183 343081061 /nfs/dbraw/zinc/08/10/61/343081061.db2.gz YQEWJOZJNGZCIT-YUMQZZPRSA-N 1 0 170.300 1.513 50 0 ADAARO Cc1ccc([C@@H](C[NH3+])N2CCCC2)o1 22223182 343081067 /nfs/dbraw/zinc/08/10/67/343081067.db2.gz ZYSRLRPCZLJNIW-SNVBAGLBSA-N 1 0 194.278 1.684 50 0 in-vitro ADAARO CCC[NH2+]C(C)(C)C 22223788 343081082 /nfs/dbraw/zinc/08/10/82/343081082.db2.gz LJQGARKSJMMQBX-UHFFFAOYSA-N 1 0 115.220 1.785 50 0 in-vitro ADAARO CN(C(=O)CC[NH3+])C1CCCCC1 22223738 343081162 /nfs/dbraw/zinc/08/11/62/343081162.db2.gz YCDKHXNWFYFYEM-UHFFFAOYSA-N 1 0 184.283 1.126 50 0 ADAARO C[C@@H]1[NH2+]C(C)(C)[C@@H](C)NC1(C)C 22239181 343081177 /nfs/dbraw/zinc/08/11/77/343081177.db2.gz YQEWJOZJNGZCIT-OCAPTIKFSA-N 1 0 170.300 1.513 50 0 ADAARO Cc1ccc([C@H](C[NH3+])N2CCCC2)o1 22223184 343081225 /nfs/dbraw/zinc/08/12/25/343081225.db2.gz ZYSRLRPCZLJNIW-JTQLQIEISA-N 1 0 194.278 1.684 50 0 in-vitro ADAARO C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)CN)C1 22216995 343081289 /nfs/dbraw/zinc/08/12/89/343081289.db2.gz WGEAIYISKQEKLT-AEJSXWLSSA-N 1 0 170.300 1.312 50 0 ADAARO C[C@H]1C[C@@H]1c1ccc(C[NH3+])o1 22221778 343081378 /nfs/dbraw/zinc/08/13/78/343081378.db2.gz HHJHAYJSCJKLHL-XPUUQOCRSA-N 1 0 151.209 1.862 50 0 in-vitro ADAARO C[C@H]1C[C@H]1c1ccc(C[NH3+])o1 22221782 343081393 /nfs/dbraw/zinc/08/13/93/343081393.db2.gz HHJHAYJSCJKLHL-POYBYMJQSA-N 1 0 151.209 1.862 50 0 in-vitro ADAARO C[C@H]1[NH2+]C(C)(C)[C@@H](C)NC1(C)C 22239182 343081424 /nfs/dbraw/zinc/08/14/24/343081424.db2.gz YQEWJOZJNGZCIT-HTQZYQBOSA-N 1 0 170.300 1.513 50 0 ADAARO CN1CCC[C@@H]1C[NH+]1CCCCC1 22586404 343081716 /nfs/dbraw/zinc/08/17/16/343081716.db2.gz VCVPSRADUBPOKJ-LLVKDONJSA-N 1 0 182.311 1.567 50 0 in-vitro ADAARO CN1CCC[C@H]1C[NH+]1CCCCC1 22576341 343081836 /nfs/dbraw/zinc/08/18/36/343081836.db2.gz VCVPSRADUBPOKJ-NSHDSACASA-N 1 0 182.311 1.567 50 0 in-vitro ADAARO Cc1c[nH]c(C[NH2+]C(C)C)n1 22861441 343082178 /nfs/dbraw/zinc/08/21/78/343082178.db2.gz ATZPFEUQBUDYSG-UHFFFAOYSA-N 1 0 153.229 1.216 50 0 ADAARO Cc1ncsc1C[NH2+]C1CC1 22862188 343082219 /nfs/dbraw/zinc/08/22/19/343082219.db2.gz IDELYDAUAGGLLQ-UHFFFAOYSA-N 1 0 168.265 1.704 50 0 ADAARO CC[C@H]([NH3+])c1cnn(CC)c1 22638069 343082222 /nfs/dbraw/zinc/08/22/22/343082222.db2.gz IWEMWEPCPPOTEP-QMMMGPOBSA-N 1 0 153.229 1.313 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])CNCc1ccccc1 22868279 343082244 /nfs/dbraw/zinc/08/22/44/343082244.db2.gz DMPSPBDJFZDNPG-LBPRGKRZSA-N 1 0 192.306 1.760 50 0 ADAARO Cc1nc(C[NH2+]C(C)C)n(C)c1C 22861821 343082301 /nfs/dbraw/zinc/08/23/01/343082301.db2.gz WJADFFPXKFUDLU-UHFFFAOYSA-N 1 0 181.283 1.535 50 0 ADAARO CCC(CC)C[NH+]1CCNCC1 22752494 343082298 /nfs/dbraw/zinc/08/22/98/343082298.db2.gz BLMJWLVGFVHJKW-UHFFFAOYSA-N 1 0 170.300 1.328 50 0 in-vitro ADAARO Cc1nccc(C[NH2+]C(C)C)n1 22861746 343082319 /nfs/dbraw/zinc/08/23/19/343082319.db2.gz OQOHZGNJQPUKGI-UHFFFAOYSA-N 1 0 165.240 1.283 50 0 ADAARO CC[C@@H]([NH3+])c1cnn(CC)c1 22638064 343082330 /nfs/dbraw/zinc/08/23/30/343082330.db2.gz IWEMWEPCPPOTEP-MRVPVSSYSA-N 1 0 153.229 1.313 50 0 in-vitro ADAARO CC(C)[NH2+]Cc1cncs1 22861742 343082404 /nfs/dbraw/zinc/08/24/04/343082404.db2.gz WFMLYAYPHIBHLW-UHFFFAOYSA-N 1 0 156.254 1.641 50 0 ADAARO CCn1c(C[NH2+]C)nc2ccccc21 22863487 343082409 /nfs/dbraw/zinc/08/24/09/343082409.db2.gz NFQDHANZFKDQTR-UHFFFAOYSA-N 1 0 189.262 1.776 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])CNCc1ccccc1 22868236 343082445 /nfs/dbraw/zinc/08/24/45/343082445.db2.gz DMPSPBDJFZDNPG-GFCCVEGCSA-N 1 0 192.306 1.760 50 0 ADAARO CC(C)[C@@H](CN)[NH+]1CCCC1 22921619 343082636 /nfs/dbraw/zinc/08/26/36/343082636.db2.gz ITOYOTJXYAOWBL-SECBINFHSA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO Cc1cc(C[NH3+])c(C)s1 22861669 343082492 /nfs/dbraw/zinc/08/24/92/343082492.db2.gz DXMACNBVEGINGQ-UHFFFAOYSA-N 1 0 141.239 1.824 50 0 ADAARO C[C@H](C[NH3+])NCc1ccccc1 22873857 343082495 /nfs/dbraw/zinc/08/24/95/343082495.db2.gz LHNRUKBQFAJHLL-SECBINFHSA-N 1 0 164.252 1.123 50 0 ADAARO C[NH+](C)Cc1ccccc1C=O 22861760 343082518 /nfs/dbraw/zinc/08/25/18/343082518.db2.gz GWLMZALRNYGLMQ-UHFFFAOYSA-N 1 0 163.220 1.561 50 0 in-vitro ADAARO C[C@H](c1cccnc1)N1CC[NH2+]CC1 22876810 343082649 /nfs/dbraw/zinc/08/26/49/343082649.db2.gz WFGSMKXGZGMERW-SNVBAGLBSA-N 1 0 191.278 1.048 50 0 in-vitro ADAARO CCC(CC)[C@H](CN)[NH+](C)C 22921632 343082682 /nfs/dbraw/zinc/08/26/82/343082682.db2.gz KSMHCPGLPFFCFA-VIFPVBQESA-N 1 0 158.289 1.312 50 0 in-vitro ADAARO C[C@H](c1ccncc1)N1CC[NH2+]CC1 22939583 343082726 /nfs/dbraw/zinc/08/27/26/343082726.db2.gz NGAAVRLUIZDMQZ-SNVBAGLBSA-N 1 0 191.278 1.048 50 0 in-vitro ADAARO C[C@H](C[NH3+])N1CCc2sccc2C1 22920546 343082746 /nfs/dbraw/zinc/08/27/46/343082746.db2.gz MQKOIUAPLLHABT-MRVPVSSYSA-N 1 0 196.319 1.453 50 0 in-vitro ADAARO CCC(CC)[C@@H](CN)[NH+](C)C 22921627 343082813 /nfs/dbraw/zinc/08/28/13/343082813.db2.gz KSMHCPGLPFFCFA-SECBINFHSA-N 1 0 158.289 1.312 50 0 in-vitro ADAARO CC[C@@H]1CNCC[N@@H+]1C(C)C 22936018 343082829 /nfs/dbraw/zinc/08/28/29/343082829.db2.gz PBGUJJXVCZDTGC-SECBINFHSA-N 1 0 156.273 1.079 50 0 in-vitro ADAARO CN1CC[NH+](CC2CCCCC2)CC1 22925191 343082864 /nfs/dbraw/zinc/08/28/64/343082864.db2.gz BXISZXBOFCYZMT-UHFFFAOYSA-N 1 0 196.338 1.814 50 0 ADAARO C[NH2+]CCN1CCc2ccccc2C1 22917868 343082878 /nfs/dbraw/zinc/08/28/78/343082878.db2.gz RJVIYNGDQVKOPD-UHFFFAOYSA-N 1 0 190.290 1.264 50 0 ADAARO CC[C@H]1CNCC[N@@H+]1C(C)C 22936021 343082882 /nfs/dbraw/zinc/08/28/82/343082882.db2.gz PBGUJJXVCZDTGC-VIFPVBQESA-N 1 0 156.273 1.079 50 0 in-vitro ADAARO CC1CCC([NH+]2CCNCC2)CC1 22924962 343082998 /nfs/dbraw/zinc/08/29/98/343082998.db2.gz JSPCWYQQBFGMBJ-UHFFFAOYSA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO CN1Cc2ccccc2C[C@@H]1C[NH3+] 23093521 343083252 /nfs/dbraw/zinc/08/32/52/343083252.db2.gz ABHNZPJDOXSKGF-LLVKDONJSA-N 1 0 176.263 1.002 50 0 ADAARO CN1Cc2ccccc2C[C@H]1C[NH3+] 23093522 343083270 /nfs/dbraw/zinc/08/32/70/343083270.db2.gz ABHNZPJDOXSKGF-NSHDSACASA-N 1 0 176.263 1.002 50 0 ADAARO Cc1ccc([C@H](C[NH3+])N(C)C)o1 23094234 343083364 /nfs/dbraw/zinc/08/33/64/343083364.db2.gz KELHQGOVULCJSG-QMMMGPOBSA-N 1 0 168.240 1.149 50 0 in-vitro ADAARO CC[C@H](CN)[NH+]1CCCCC1 23070855 343083444 /nfs/dbraw/zinc/08/34/44/343083444.db2.gz GAESVMYMWLXWCU-SECBINFHSA-N 1 0 156.273 1.210 50 0 in-vitro ADAARO Cc1ccsc1[C@H](C[NH3+])N(C)C 23094153 343083466 /nfs/dbraw/zinc/08/34/66/343083466.db2.gz XSHCJTMLKPDFJK-QMMMGPOBSA-N 1 0 184.308 1.618 50 0 in-vitro ADAARO CC[C@@H](CN)[NH+]1CCCCC1 23070854 343083488 /nfs/dbraw/zinc/08/34/88/343083488.db2.gz GAESVMYMWLXWCU-VIFPVBQESA-N 1 0 156.273 1.210 50 0 in-vitro ADAARO C[C@H]([NH3+])COc1ccc(F)cc1F 23069428 343083572 /nfs/dbraw/zinc/08/35/72/343083572.db2.gz KWCXWMIRJGOFBM-LURJTMIESA-N 1 0 187.189 1.691 50 0 ADAARO CN(CC[NH3+])CCc1ccccc1 23093796 343083644 /nfs/dbraw/zinc/08/36/44/343083644.db2.gz QNEUMPZMEXPLOM-UHFFFAOYSA-N 1 0 178.279 1.120 50 0 in-vitro ADAARO C[C@H]1CCC[C@@H]([NH+]2CCOCC2)C1 23550029 343083906 /nfs/dbraw/zinc/08/39/06/343083906.db2.gz XYFQRZLHYHHVIQ-WDEREUQCSA-N 1 0 183.295 1.897 50 0 ADAARO CN1C[C@H](c2ccccc2)[C@@H]([NH3+])C1 23508877 343084041 /nfs/dbraw/zinc/08/40/41/343084041.db2.gz MDGLWUXAHGNWDO-MNOVXSKESA-N 1 0 176.263 1.043 50 0 in-vitro ADAARO CN1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 23508875 343084067 /nfs/dbraw/zinc/08/40/67/343084067.db2.gz MDGLWUXAHGNWDO-GHMZBOCLSA-N 1 0 176.263 1.043 50 0 in-vitro ADAARO Cc1cc[nH+]c2c1CCCN2 24619645 343086022 /nfs/dbraw/zinc/08/60/22/343086022.db2.gz BENBACKRAYKPOZ-UHFFFAOYSA-N 1 0 148.209 1.748 50 0 ADAARO Cc1cccc2c1C[NH2+]CC2 24624352 343086422 /nfs/dbraw/zinc/08/64/22/343086422.db2.gz UFUSUNKYIGBDOI-UHFFFAOYSA-N 1 0 147.221 1.641 50 0 in-vitro ADAARO C[C@H]1C[NH+]=C(c2cccc(O)c2)N1 25723879 343086834 /nfs/dbraw/zinc/08/68/34/343086834.db2.gz AEHOWRYUNAJHNM-ZETCQYMHSA-N 1 0 176.219 1.131 50 0 ADAARO CC1=[NH+]CCC1 25695470 343086937 /nfs/dbraw/zinc/08/69/37/343086937.db2.gz CTSZPNIMMLSKDV-UHFFFAOYSA-N 1 0 83.134 1.241 50 0 in-vitro ADAARO C[C@H]1[NH2+]Cc2ccccc21 25921033 343087265 /nfs/dbraw/zinc/08/72/65/343087265.db2.gz UWMCJDIBDVFVFT-SSDOTTSWSA-N 1 0 133.194 1.851 50 0 in-vitro ADAARO Cc1c[nH+]c(N)c(C)c1 26146228 343087453 /nfs/dbraw/zinc/08/74/53/343087453.db2.gz NLDDLJBGRZJASZ-UHFFFAOYSA-N 1 0 122.171 1.281 50 0 in-vitro ADAARO Cc1c[nH]c2cc[nH+]cc12 26059910 343087487 /nfs/dbraw/zinc/08/74/87/343087487.db2.gz RXHOENUBSKBJOV-UHFFFAOYSA-N 1 0 132.166 1.871 50 0 in-vitro ADAARO [NH3+]CC[C@@H]1CCC[C@H]2C[C@@H]12 26320050 343087747 /nfs/dbraw/zinc/08/77/47/343087747.db2.gz XFZMEJTZPTYOMV-CIUDSAMLSA-N 1 0 139.242 1.771 50 0 ADAARO Cc1nnc([C@H]2CCC[NH2+]C2)s1 26424277 343087840 /nfs/dbraw/zinc/08/78/40/343087840.db2.gz ADOWKTCTHGQHBM-ZETCQYMHSA-N 1 0 183.280 1.314 50 0 in-vitro ADAARO Cc1coc(C)c1C[NH3+] 26441362 343087858 /nfs/dbraw/zinc/08/78/58/343087858.db2.gz QJUUNWWMGCTOEN-UHFFFAOYSA-N 1 0 125.171 1.355 50 0 in-vitro ADAARO Cc1ccn2c(N)c(C)[nH+]c2c1 26420606 343088029 /nfs/dbraw/zinc/08/80/29/343088029.db2.gz SVXONZREKJLJLA-UHFFFAOYSA-N 1 0 161.208 1.533 50 0 ADAARO Cc1[nH+]c2c(C)cccn2c1N 26420603 343088096 /nfs/dbraw/zinc/08/80/96/343088096.db2.gz PQYHNIRIIDGFAA-UHFFFAOYSA-N 1 0 161.208 1.533 50 0 ADAARO Cc1cc(CC[NH3+])cc(C)n1 26460044 343088284 /nfs/dbraw/zinc/08/82/84/343088284.db2.gz SVHQGCGNRHMJSD-UHFFFAOYSA-N 1 0 150.225 1.200 50 0 ADAARO C[C@H](C[NH3+])Nc1ccccc1 26442751 343088488 /nfs/dbraw/zinc/08/84/88/343088488.db2.gz CNZJSNWTEPRULC-MRVPVSSYSA-N 1 0 150.225 1.446 50 0 in-vitro ADAARO C[NH2+]CCC(=O)Nc1ccccc1 26476008 343088824 /nfs/dbraw/zinc/08/88/24/343088824.db2.gz MKIFWUOKNAWCMR-UHFFFAOYSA-N 1 0 178.235 1.235 50 0 ADAARO CC(C)OCCC1CC[NH2+]CC1 26515795 343089784 /nfs/dbraw/zinc/08/97/84/343089784.db2.gz BEYQXDFWFKEGHA-UHFFFAOYSA-N 1 0 171.284 1.801 50 0 ADAARO C[C@H]1[NH2+]CCc2ccc(O)cc21 26721136 343090249 /nfs/dbraw/zinc/09/02/49/343090249.db2.gz HZEAYESUQGYNCC-SSDOTTSWSA-N 1 0 163.220 1.599 50 0 ADAARO C[NH2+]CC(=O)Cc1ccccc1 26892422 343090359 /nfs/dbraw/zinc/09/03/59/343090359.db2.gz RSQMPBUCVJKLAI-UHFFFAOYSA-N 1 0 163.220 1.018 50 0 ADAARO Cc1noc(C)c1[C@@H](C)[NH3+] 26547938 343090406 /nfs/dbraw/zinc/09/04/06/343090406.db2.gz FZJLBPYJNDDVPQ-SCSAIBSYSA-N 1 0 140.186 1.311 50 0 in-vitro ADAARO C[C@H]1[NH2+]CCc2cc(O)ccc21 26721570 343090411 /nfs/dbraw/zinc/09/04/11/343090411.db2.gz WTTCKKHZWWAOHI-SSDOTTSWSA-N 1 0 163.220 1.599 50 0 ADAARO CC[C@H](O)C[NH2+]Cc1ccccc1 26897777 343090671 /nfs/dbraw/zinc/09/06/71/343090671.db2.gz XHIGQRPMBZIQLS-NSHDSACASA-N 1 0 179.263 1.547 50 0 in-vitro ADAARO CC1(C[NH3+])CCCCC1 26896291 343090749 /nfs/dbraw/zinc/09/07/49/343090749.db2.gz GFTCKTJDXXDHLH-UHFFFAOYSA-N 1 0 127.231 1.916 50 0 in-vitro ADAARO CC[C@@](C)(O)C[NH2+]Cc1ccccc1 26897843 343090919 /nfs/dbraw/zinc/09/09/19/343090919.db2.gz JJSMKSLJNNEJAH-GFCCVEGCSA-N 1 0 193.290 1.937 50 0 in-vitro ADAARO CC[C@](C)(O)C[NH2+]Cc1ccccc1 26897846 343090923 /nfs/dbraw/zinc/09/09/23/343090923.db2.gz JJSMKSLJNNEJAH-LBPRGKRZSA-N 1 0 193.290 1.937 50 0 in-vitro ADAARO C[NH+](C)[C@H]1CNc2ccccc2C1 27750805 343091074 /nfs/dbraw/zinc/09/10/74/343091074.db2.gz KQHONNUXIWFFAC-SNVBAGLBSA-N 1 0 176.263 1.585 50 0 ADAARO C[NH2+]C1Cc2ccccc2C1 27860957 343091103 /nfs/dbraw/zinc/09/11/03/343091103.db2.gz SXWZQUCTTOBHJT-UHFFFAOYSA-N 1 0 147.221 1.373 50 0 in-vitro ADAARO Cc1ccc(C(N)=[NH2+])s1 28290680 343091644 /nfs/dbraw/zinc/09/16/44/343091644.db2.gz FPJDBPCGTYWZQP-UHFFFAOYSA-N 1 0 140.211 1.341 50 0 ADAARO C[C@H]1[NH2+]CCc2ccsc21 28247323 343091702 /nfs/dbraw/zinc/09/17/02/343091702.db2.gz NDKKMCDMZGOMPQ-ZCFIWIBFSA-N 1 0 153.250 1.955 50 0 ADAARO CC(C)c1nc(CC[NH3+])c[nH]1 29415762 343092346 /nfs/dbraw/zinc/09/23/46/343092346.db2.gz VVACTURLJWWFGU-UHFFFAOYSA-N 1 0 153.229 1.034 50 0 ADAARO Cc1ccc(NC(N)=[NH2+])cc1C 29132857 343092436 /nfs/dbraw/zinc/09/24/36/343092436.db2.gz IQTNVAFSMUHIRD-UHFFFAOYSA-N 1 0 163.224 1.609 50 0 ADAARO Cc1cc2c(s1)CC[NH2+]C2 29039163 343092483 /nfs/dbraw/zinc/09/24/83/343092483.db2.gz PTLTZFJYSSVFEC-UHFFFAOYSA-N 1 0 153.250 1.702 50 0 ADAARO Cc1ccc(Cl)c(OCC[NH3+])c1 30834351 343092855 /nfs/dbraw/zinc/09/28/55/343092855.db2.gz LPGCKEGMJIEKJH-UHFFFAOYSA-N 1 0 185.654 1.986 50 0 in-vitro ADAARO CCc1nc(C)sc1C[NH3+] 29866027 343092904 /nfs/dbraw/zinc/09/29/04/343092904.db2.gz NARMNKOZSKVGAW-UHFFFAOYSA-N 1 0 156.254 1.473 50 0 in-vitro ADAARO Cc1cc(C)cc(NC(N)=[NH2+])c1 31772058 343094306 /nfs/dbraw/zinc/09/43/06/343094306.db2.gz CHAFZGUGLLKKQE-UHFFFAOYSA-N 1 0 163.224 1.609 50 0 ADAARO Cc1ccc(NC(N)=[NH2+])cc1Cl 31772057 343094318 /nfs/dbraw/zinc/09/43/18/343094318.db2.gz QIGUYMRVNAYXLC-UHFFFAOYSA-N 1 0 183.642 1.954 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cnc2ccccn12 31918352 343094616 /nfs/dbraw/zinc/09/46/16/343094616.db2.gz XVTYDMPYGMBYBD-ZETCQYMHSA-N 1 0 161.208 1.354 50 0 ADAARO Cc1cn2c(C[NH3+])c(C)nc2s1 31973750 343094854 /nfs/dbraw/zinc/09/48/54/343094854.db2.gz JJWLOFYIAILHBZ-UHFFFAOYSA-N 1 0 181.264 1.471 50 0 ADAARO CN(C1CCCCC1)[C@H]1CC[NH2+]C1 31996676 343095132 /nfs/dbraw/zinc/09/51/32/343095132.db2.gz ZUXDHMIYCYMFRJ-NSHDSACASA-N 1 0 182.311 1.613 50 0 ADAARO C[C@H](c1ccccc1)N1CC[C@H]([NH3+])C1 31996499 343095134 /nfs/dbraw/zinc/09/51/34/343095134.db2.gz UPDDLDNYCOENHW-PWSUYJOCSA-N 1 0 190.290 1.781 50 0 in-vitro ADAARO Cc1ccc([C@@H]2C[C@H]2[NH3+])cc1 32005593 343095175 /nfs/dbraw/zinc/09/51/75/343095175.db2.gz JVDFHGQPUOICBZ-VHSXEESVSA-N 1 0 147.221 1.810 50 0 ADAARO Cc1ccc([C@H]2C[C@H]2[NH3+])cc1 32005596 343095206 /nfs/dbraw/zinc/09/52/06/343095206.db2.gz JVDFHGQPUOICBZ-NXEZZACHSA-N 1 0 147.221 1.810 50 0 ADAARO CC[C@H]([NH3+])C(=O)c1ccccc1 32006203 343095644 /nfs/dbraw/zinc/09/56/44/343095644.db2.gz SHBYDSJVZCGXOZ-VIFPVBQESA-N 1 0 163.220 1.607 50 0 ADAARO CC[C@@H]([NH3+])C(=O)c1ccccc1 32006200 343095686 /nfs/dbraw/zinc/09/56/86/343095686.db2.gz SHBYDSJVZCGXOZ-SECBINFHSA-N 1 0 163.220 1.607 50 0 ADAARO C[N@@H+]1CCc2ccc(N)cc2C1 32006133 343095707 /nfs/dbraw/zinc/09/57/07/343095707.db2.gz VRKLIVSHUQSRNF-UHFFFAOYSA-N 1 0 162.236 1.257 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])[C@H](O)c1ccccc1 32007302 343096013 /nfs/dbraw/zinc/09/60/13/343096013.db2.gz COXYPOLXZLWCIA-GHMZBOCLSA-N 1 0 179.263 1.703 50 0 in-vitro ADAARO C[C@H]1CO[C@H](c2ccccc2)C[NH2+]1 32007006 343096034 /nfs/dbraw/zinc/09/60/34/343096034.db2.gz LQHGEOIBMBXJGV-ONGXEEELSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])C(=O)c1ccccc1 32007021 343096087 /nfs/dbraw/zinc/09/60/87/343096087.db2.gz DGSKMKVBPWZYGE-SNVBAGLBSA-N 1 0 177.247 1.853 50 0 ADAARO CC(C)[C@H]([NH3+])C(=O)c1ccccc1 32007022 343096187 /nfs/dbraw/zinc/09/61/87/343096187.db2.gz DGSKMKVBPWZYGE-JTQLQIEISA-N 1 0 177.247 1.853 50 0 ADAARO CC(C)[C@H]([NH3+])[C@H](O)c1ccccc1 32007303 343096193 /nfs/dbraw/zinc/09/61/93/343096193.db2.gz COXYPOLXZLWCIA-WDEREUQCSA-N 1 0 179.263 1.703 50 0 in-vitro ADAARO Cc1cc([C@@H](O)[C@@H](C)[NH3+])ccc1F 32007665 343096295 /nfs/dbraw/zinc/09/62/95/343096295.db2.gz ROUHECVZDWZGOL-XCBNKYQSSA-N 1 0 183.226 1.515 50 0 ADAARO C[NH2+]CCOc1ccc(F)c(F)c1 32007965 343096313 /nfs/dbraw/zinc/09/63/13/343096313.db2.gz QABDIDBGIOKLJE-UHFFFAOYSA-N 1 0 187.189 1.563 50 0 ADAARO Cc1cc([C@H](O)[C@@H](C)[NH3+])ccc1F 32007662 343096494 /nfs/dbraw/zinc/09/64/94/343096494.db2.gz ROUHECVZDWZGOL-GMSGAONNSA-N 1 0 183.226 1.515 50 0 ADAARO Cc1cc([C@@H](O)[C@H](C)[NH3+])ccc1F 32007667 343096509 /nfs/dbraw/zinc/09/65/09/343096509.db2.gz ROUHECVZDWZGOL-XVKPBYJWSA-N 1 0 183.226 1.515 50 0 ADAARO Cc1nc(C2CC[NH2+]CC2)cs1 32007627 343096515 /nfs/dbraw/zinc/09/65/15/343096515.db2.gz PGZLXYWOUAXYTG-UHFFFAOYSA-N 1 0 182.292 1.919 50 0 ADAARO Cc1cc([C@H](O)[C@H](C)[NH3+])ccc1F 32007664 343096553 /nfs/dbraw/zinc/09/65/53/343096553.db2.gz ROUHECVZDWZGOL-OIBJUYFYSA-N 1 0 183.226 1.515 50 0 ADAARO C[C@H]1C[NH2+]C[C@H](c2ccc(F)cc2)O1 32009188 343096670 /nfs/dbraw/zinc/09/66/70/343096670.db2.gz LKPBWYNPOQOBRH-GZMMTYOYSA-N 1 0 195.237 1.875 50 0 in-vitro ADAARO CC(C)Oc1cccc([C@@H](O)C[NH3+])c1 32009235 343096672 /nfs/dbraw/zinc/09/66/72/343096672.db2.gz FBDNKTOJTQPCBL-NSHDSACASA-N 1 0 195.262 1.466 50 0 in-vitro ADAARO CC(C)Oc1ccc([C@H](O)C[NH3+])cc1 32009234 343096682 /nfs/dbraw/zinc/09/66/82/343096682.db2.gz QWXSKTDBYAVWAF-LLVKDONJSA-N 1 0 195.262 1.466 50 0 in-vitro ADAARO C[C@H]1C[NH2+]C[C@@H](c2ccc(F)cc2)O1 32009184 343096708 /nfs/dbraw/zinc/09/67/08/343096708.db2.gz LKPBWYNPOQOBRH-KWQFWETISA-N 1 0 195.237 1.875 50 0 in-vitro ADAARO CC(C)Oc1ccc([C@@H](O)C[NH3+])cc1 32009232 343096714 /nfs/dbraw/zinc/09/67/14/343096714.db2.gz QWXSKTDBYAVWAF-NSHDSACASA-N 1 0 195.262 1.466 50 0 in-vitro ADAARO CC(C)Oc1cccc([C@H](O)C[NH3+])c1 32009237 343096748 /nfs/dbraw/zinc/09/67/48/343096748.db2.gz FBDNKTOJTQPCBL-LLVKDONJSA-N 1 0 195.262 1.466 50 0 in-vitro ADAARO CC[C@@](O)(C[NH3+])c1ccc(Cl)cc1 32009840 343097207 /nfs/dbraw/zinc/09/72/07/343097207.db2.gz HXSQQBZJYJKCFM-SNVBAGLBSA-N 1 0 199.681 1.896 50 0 in-vitro ADAARO CCC(CC)[C@H]([NH3+])CCO 32099006 343097227 /nfs/dbraw/zinc/09/72/27/343097227.db2.gz SCFIYJQBLADDGB-MRVPVSSYSA-N 1 0 145.246 1.132 50 0 in-vitro ADAARO CCC(CC)[C@@H]([NH3+])CCO 32099005 343097241 /nfs/dbraw/zinc/09/72/41/343097241.db2.gz SCFIYJQBLADDGB-QMMMGPOBSA-N 1 0 145.246 1.132 50 0 in-vitro ADAARO CC[C@](O)(C[NH3+])c1ccc(Cl)cc1 32009841 343097251 /nfs/dbraw/zinc/09/72/51/343097251.db2.gz HXSQQBZJYJKCFM-JTQLQIEISA-N 1 0 199.681 1.896 50 0 in-vitro ADAARO CC[C@H](C)N(CC[NH3+])Cc1ccco1 32009410 343097262 /nfs/dbraw/zinc/09/72/62/343097262.db2.gz SKFNHAMUGJBSLL-JTQLQIEISA-N 1 0 196.294 1.839 50 0 ADAARO C[C@H](C[NH3+])c1ccc(O)cc1 32139718 343098291 /nfs/dbraw/zinc/09/82/91/343098291.db2.gz ZGYDQXZKRDEGFR-SSDOTTSWSA-N 1 0 151.209 1.454 50 0 ADAARO CCCC[C@H](C)[NH2+]C 32164979 343099258 /nfs/dbraw/zinc/09/92/58/343099258.db2.gz SUOSRAKKOYHQBX-ZETCQYMHSA-N 1 0 115.220 1.785 50 0 in-vitro ADAARO CCCC[C@@H](C)[NH2+]C 32164977 343099515 /nfs/dbraw/zinc/09/95/15/343099515.db2.gz SUOSRAKKOYHQBX-SSDOTTSWSA-N 1 0 115.220 1.785 50 0 in-vitro ADAARO C[N@@H+]1Cc2ccccc2C[C@@H]1CO 32189048 343100178 /nfs/dbraw/zinc/10/01/78/343100178.db2.gz SWUVPLABKHJMQA-LLVKDONJSA-N 1 0 177.247 1.035 50 0 ADAARO CC(C)[N@@H+]1C[C@@H](C)[C@@H](O)C[C@@H]1C 32192540 343100567 /nfs/dbraw/zinc/10/05/67/343100567.db2.gz LOJBMEUIYQOYTE-UTLUCORTSA-N 1 0 171.284 1.486 50 0 ADAARO CC1CC[NH+](C(C)(C)CN)CC1 32445540 343102119 /nfs/dbraw/zinc/10/21/19/343102119.db2.gz NHAIMMHBFBAOOZ-UHFFFAOYSA-N 1 0 170.300 1.456 50 0 in-vitro ADAARO C[NH2+]CCN1CCCC[C@H]1C 32445516 343102152 /nfs/dbraw/zinc/10/21/52/343102152.db2.gz SIKDRLKHNOSSEU-SECBINFHSA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO C[NH2+]CCN1CCCC[C@@H]1C 32445515 343102169 /nfs/dbraw/zinc/10/21/69/343102169.db2.gz SIKDRLKHNOSSEU-VIFPVBQESA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO CC[C@H]([NH3+])C(C)C 32302569 343102204 /nfs/dbraw/zinc/10/22/04/343102204.db2.gz JYNQKCFJPQEXSL-LURJTMIESA-N 1 0 101.193 1.380 50 0 in-vitro ADAARO CN(C)[C@@H](C[NH3+])c1ccc(F)cc1 32497013 343102230 /nfs/dbraw/zinc/10/22/30/343102230.db2.gz UUQFFOAUNDPGNS-JTQLQIEISA-N 1 0 182.242 1.387 50 0 in-vitro ADAARO C[NH2+]CCN1CCCCCC1 32445484 343102246 /nfs/dbraw/zinc/10/22/46/343102246.db2.gz PCSDSPLJOYHMEW-UHFFFAOYSA-N 1 0 156.273 1.082 50 0 ADAARO C[C@H](CN)[NH+]1CCCCCC1 32497047 343102249 /nfs/dbraw/zinc/10/22/49/343102249.db2.gz LNUMREOZJKDEOF-SECBINFHSA-N 1 0 156.273 1.210 50 0 in-vitro ADAARO CN(C)[C@H](C[NH3+])c1ccc(F)cc1 32497014 343102265 /nfs/dbraw/zinc/10/22/65/343102265.db2.gz UUQFFOAUNDPGNS-SNVBAGLBSA-N 1 0 182.242 1.387 50 0 in-vitro ADAARO CC(C)[NH2+]CCN1C[C@H](C)C[C@@H](C)C1 32445524 343102280 /nfs/dbraw/zinc/10/22/80/343102280.db2.gz SXKFQRVOTMKEQZ-VXGBXAGGSA-N 1 0 198.354 1.962 50 0 in-vitro ADAARO C[NH2+]CCN(C)C1CCCC1 32445496 343102314 /nfs/dbraw/zinc/10/23/14/343102314.db2.gz AHNPSXMOXGQMPF-UHFFFAOYSA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO Cc1ccc([C@H]2C[NH2+]CCN2)cc1 32499142 343102316 /nfs/dbraw/zinc/10/23/16/343102316.db2.gz FCNXNUWTNOYQME-LLVKDONJSA-N 1 0 176.263 1.229 50 0 ADAARO Cc1cccc2c1ccn2CC[NH3+] 32500130 343102328 /nfs/dbraw/zinc/10/23/28/343102328.db2.gz LIGRLRFLQBHYFZ-UHFFFAOYSA-N 1 0 174.247 1.908 50 0 ADAARO CC1(C)[NH2+]CCn2cccc21 32500422 343102344 /nfs/dbraw/zinc/10/23/44/343102344.db2.gz RBRFIMQHAPJDAY-UHFFFAOYSA-N 1 0 150.225 1.326 50 0 in-vitro ADAARO CC(C)[NH2+]CCN1C[C@@H](C)C[C@H](C)C1 32445526 343102370 /nfs/dbraw/zinc/10/23/70/343102370.db2.gz SXKFQRVOTMKEQZ-RYUDHWBXSA-N 1 0 198.354 1.962 50 0 in-vitro ADAARO CC1CCN(CC[NH2+]C(C)C)CC1 32445500 343102405 /nfs/dbraw/zinc/10/24/05/343102405.db2.gz HVMOOSAFNSNUMQ-UHFFFAOYSA-N 1 0 184.327 1.716 50 0 in-vitro ADAARO CCC1CCN(CC[NH3+])CC1 32445508 343102428 /nfs/dbraw/zinc/10/24/28/343102428.db2.gz IUURUDXVDZPRHL-UHFFFAOYSA-N 1 0 156.273 1.067 50 0 in-vitro ADAARO CC(C)[NH2+]CCN1C[C@@H](C)C[C@@H](C)C1 32445525 343102440 /nfs/dbraw/zinc/10/24/40/343102440.db2.gz SXKFQRVOTMKEQZ-TXEJJXNPSA-N 1 0 198.354 1.962 50 0 in-vitro ADAARO CC1CCN(C[C@H]2CCC[NH2+]2)CC1 32556280 343102615 /nfs/dbraw/zinc/10/26/15/343102615.db2.gz BSCDPMBBVBXWJY-LLVKDONJSA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO CC(C)(C)[N@@H+]1C[C@@H]2CC[C@H](C1)C2=O 32628297 343102641 /nfs/dbraw/zinc/10/26/41/343102641.db2.gz ULYNZYHJGBWFLO-DTORHVGOSA-N 1 0 181.279 1.696 50 0 in-vitro ADAARO CC(C)c1nn(C)cc1C[NH3+] 32625287 343102653 /nfs/dbraw/zinc/10/26/53/343102653.db2.gz QXAWBMLPFWBBNE-UHFFFAOYSA-N 1 0 153.229 1.002 50 0 in-vitro ADAARO Cc1cccc(F)c1C[NH3+] 32625290 343102673 /nfs/dbraw/zinc/10/26/73/343102673.db2.gz DAYMZPMFYHNNHT-UHFFFAOYSA-N 1 0 139.173 1.593 50 0 in-vitro ADAARO CCCCN(C)C(=O)n1cc[n+](C)c1 32628686 343102703 /nfs/dbraw/zinc/10/27/03/343102703.db2.gz AUUPIQGRAWICNE-UHFFFAOYSA-N 1 0 196.274 1.013 50 0 ADAARO C[C@H](CO)[NH2+]Cc1ccccc1Cl 32628242 343102747 /nfs/dbraw/zinc/10/27/47/343102747.db2.gz YEZLLBZQPKTYAA-MRVPVSSYSA-N 1 0 199.681 1.810 50 0 in-vitro ADAARO CC(C)NC(=O)C[NH+]1CCCCCC1 32642247 343103279 /nfs/dbraw/zinc/10/32/79/343103279.db2.gz GOEUEJKTKBLXTK-UHFFFAOYSA-N 1 0 198.310 1.387 50 0 ADAARO C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 32751281 343103417 /nfs/dbraw/zinc/10/34/17/343103417.db2.gz XFGMXWZXBFQKLU-UWVGGRQHSA-N 1 0 198.310 1.195 50 0 ADAARO Cc1cccnc1[C@@H]1CCC[NH2+]1 32914755 343103789 /nfs/dbraw/zinc/10/37/89/343103789.db2.gz QIQHWGGROIBWSH-VIFPVBQESA-N 1 0 162.236 1.815 50 0 ADAARO Cc1cc(C)c(CNCC[NH3+])c(C)c1 32919768 343103889 /nfs/dbraw/zinc/10/38/89/343103889.db2.gz VQIIZMDRJLGTLK-UHFFFAOYSA-N 1 0 192.306 1.660 50 0 ADAARO Cc1cccnc1[C@H]1CCC[NH2+]1 32914757 343103894 /nfs/dbraw/zinc/10/38/94/343103894.db2.gz QIQHWGGROIBWSH-SECBINFHSA-N 1 0 162.236 1.815 50 0 ADAARO C[NH2+]CCN(C)C(=O)OC(C)(C)C 32914891 343103898 /nfs/dbraw/zinc/10/38/98/343103898.db2.gz DFVRUHANEXOZGT-UHFFFAOYSA-N 1 0 188.271 1.073 50 0 in-vitro ADAARO Cc1cccc(C2(O)CC[NH2+]CC2)c1 32919508 343103959 /nfs/dbraw/zinc/10/39/59/343103959.db2.gz DDGOHIWHCKUFKW-UHFFFAOYSA-N 1 0 191.274 1.566 50 0 in-vitro ADAARO CCc1cc(C[NH3+])ccc1F 32914692 343103977 /nfs/dbraw/zinc/10/39/77/343103977.db2.gz RWFYJCKGHGPZJO-UHFFFAOYSA-N 1 0 153.200 1.847 50 0 ADAARO CC1(C)N(O)C=C[N+](=O)C1(C)C 33352141 343104227 /nfs/dbraw/zinc/10/42/27/343104227.db2.gz PBXVRRPIAIAILW-UHFFFAOYSA-N 1 0 171.220 1.499 50 0 ADAARO Cc1ccnc([C@@H]([NH3+])C2CC2)c1 33414675 343104573 /nfs/dbraw/zinc/10/45/73/343104573.db2.gz XUWOXHQFBDZVDD-JTQLQIEISA-N 1 0 162.236 1.800 50 0 in-vitro ADAARO Cc1cccc2[nH]c(C[NH3+])nc12 33414697 343104659 /nfs/dbraw/zinc/10/46/59/343104659.db2.gz FWWGSHDHYQHMBR-UHFFFAOYSA-N 1 0 161.208 1.330 50 0 in-vitro ADAARO Cc1ccc2nc(CC[NH3+])oc2c1 33420176 343104745 /nfs/dbraw/zinc/10/47/45/343104745.db2.gz TXGKVOLCOGUHQR-UHFFFAOYSA-N 1 0 176.219 1.637 50 0 ADAARO CC[C@H]([NH3+])c1cc(C)ccn1 33414641 343104752 /nfs/dbraw/zinc/10/47/52/343104752.db2.gz GHYFDTDPEAFYDP-QMMMGPOBSA-N 1 0 150.225 1.800 50 0 in-vitro ADAARO Cc1ccnc([C@H]([NH3+])C2CC2)c1 33414676 343104820 /nfs/dbraw/zinc/10/48/20/343104820.db2.gz XUWOXHQFBDZVDD-SNVBAGLBSA-N 1 0 162.236 1.800 50 0 in-vitro ADAARO Cc1ccc2oc(CC[NH3+])nc2c1 33420178 343104842 /nfs/dbraw/zinc/10/48/42/343104842.db2.gz QUHSPVCYQJXRGG-UHFFFAOYSA-N 1 0 176.219 1.637 50 0 in-vitro ADAARO C[N@H+]1CC=C(c2cccc(N)c2)CC1 33487548 343105154 /nfs/dbraw/zinc/10/51/54/343105154.db2.gz XXFOMXBPZIXRAX-UHFFFAOYSA-N 1 0 188.274 1.988 50 0 in-vitro ADAARO CC1(C)CCCC[NH2+]1 33604921 343105555 /nfs/dbraw/zinc/10/55/55/343105555.db2.gz LBUPWCHXRSTTNO-UHFFFAOYSA-N 1 0 113.204 1.539 50 0 in-vitro ADAARO C[NH2+]C1(C)CCCCC1 33610291 343105769 /nfs/dbraw/zinc/10/57/69/343105769.db2.gz GHPKKPXJITVOOG-UHFFFAOYSA-N 1 0 127.231 1.929 50 0 ADAARO C[C@H]1[NH2+]CC[C@]1(O)c1ccccc1 33610593 343105784 /nfs/dbraw/zinc/10/57/84/343105784.db2.gz KYSHNBSPVIORLR-MWLCHTKSSA-N 1 0 177.247 1.256 50 0 ADAARO CC1(C)CCC(N)=[NH+]1 33806572 343106482 /nfs/dbraw/zinc/10/64/82/343106482.db2.gz CLKGGDYPNPRDSK-UHFFFAOYSA-N 1 0 112.176 1.126 50 0 ADAARO Cc1ccc(OCC[NH+](C)C)cc1 33809149 343106572 /nfs/dbraw/zinc/10/65/72/343106572.db2.gz SJPVFJQSTPMHCS-UHFFFAOYSA-N 1 0 179.263 1.935 50 0 ADAARO Cc1cccc(OCC[NH+](C)C)c1 33809148 343106718 /nfs/dbraw/zinc/10/67/18/343106718.db2.gz YSOXHWYLPZLCFY-UHFFFAOYSA-N 1 0 179.263 1.935 50 0 ADAARO C[C@@]([NH3+])(CO)Cc1ccc(Cl)cc1 33852985 343107324 /nfs/dbraw/zinc/10/73/24/343107324.db2.gz GURNLHOWJJMNAR-JTQLQIEISA-N 1 0 199.681 1.592 50 0 ADAARO C[C@]([NH3+])(CO)Cc1ccc(Cl)cc1 33852984 343107434 /nfs/dbraw/zinc/10/74/34/343107434.db2.gz GURNLHOWJJMNAR-SNVBAGLBSA-N 1 0 199.681 1.592 50 0 ADAARO CCC(=O)[C@@H](C)C[NH+](C)C 33852748 343107441 /nfs/dbraw/zinc/10/74/41/343107441.db2.gz QVWGKOYVOZJNRJ-ZETCQYMHSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO C[C@H]1[NH2+]CCCS1 33876536 343107884 /nfs/dbraw/zinc/10/78/84/343107884.db2.gz KZWRWFXEEGOSCH-YFKPBYRVSA-N 1 0 117.217 1.059 50 0 ADAARO C[C@H]([NH3+])CCOCc1ccccc1 34049725 343108831 /nfs/dbraw/zinc/10/88/31/343108831.db2.gz NCVXGQWWOPIONP-JTQLQIEISA-N 1 0 179.263 1.941 50 0 in-vitro ADAARO C[C@H](C[NH3+])CC(F)(F)F 34075456 343109850 /nfs/dbraw/zinc/10/98/50/343109850.db2.gz PIOIYGGPVZPPRE-BYPYZUCNSA-N 1 0 141.136 1.534 50 0 ADAARO C[C@H]([NH3+])C1(O)CCCCC1 34099949 343110348 /nfs/dbraw/zinc/11/03/48/343110348.db2.gz DYABBZGBVUCORR-ZETCQYMHSA-N 1 0 143.230 1.029 50 0 ADAARO CN1Cc2ccccc2[C@H]([NH3+])C1 34102274 343110437 /nfs/dbraw/zinc/11/04/37/343110437.db2.gz PQEJOFMIRBGGRQ-SNVBAGLBSA-N 1 0 162.236 1.132 50 0 in-vitro ADAARO CN1Cc2ccccc2[C@@H]([NH3+])C1 34102275 343110451 /nfs/dbraw/zinc/11/04/51/343110451.db2.gz PQEJOFMIRBGGRQ-JTQLQIEISA-N 1 0 162.236 1.132 50 0 in-vitro ADAARO C[C@H]([NH3+])CC(F)(F)F 34108622 343110545 /nfs/dbraw/zinc/11/05/45/343110545.db2.gz HKEQNJJYWZWKMC-VKHMYHEASA-N 1 0 127.109 1.286 50 0 in-vitro ADAARO CCC[N@@H+]1CCC[C@H](C(=O)OCC)C1 34184531 343112835 /nfs/dbraw/zinc/11/28/35/343112835.db2.gz BNVQQLWILKDWEI-JTQLQIEISA-N 1 0 199.294 1.672 50 0 ADAARO CC[C@H](CO)[NH+](CC)CC 34185098 343112849 /nfs/dbraw/zinc/11/28/49/343112849.db2.gz HZDMXYFSFGUCNO-MRVPVSSYSA-N 1 0 145.246 1.099 50 0 in-vitro ADAARO Cc1c(C[NH3+])n(C)c2ccccc12 34179664 343112859 /nfs/dbraw/zinc/11/28/59/343112859.db2.gz QCYGVOVHZMHRGY-UHFFFAOYSA-N 1 0 174.247 1.945 50 0 in-vitro ADAARO COc1cccc(OCC[NH+](C)C)c1 34180241 343112902 /nfs/dbraw/zinc/11/29/02/343112902.db2.gz ALBHGNDBXQFJOL-UHFFFAOYSA-N 1 0 195.262 1.636 50 0 ADAARO CC(C)[NH2+][C@H](CO)c1ccccc1 34179776 343112968 /nfs/dbraw/zinc/11/29/68/343112968.db2.gz XFSCVCVPECOHBL-LLVKDONJSA-N 1 0 179.263 1.718 50 0 ADAARO CCC[N@@H+]1CCC[C@@H](C(=O)OCC)C1 34184532 343112991 /nfs/dbraw/zinc/11/29/91/343112991.db2.gz BNVQQLWILKDWEI-SNVBAGLBSA-N 1 0 199.294 1.672 50 0 ADAARO Cc1cc2c[nH+]ccc2[nH]1 34213945 343113659 /nfs/dbraw/zinc/11/36/59/343113659.db2.gz PSEAZIPYGNUYPC-UHFFFAOYSA-N 1 0 132.166 1.871 50 0 in-vitro ADAARO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] 34249687 343114657 /nfs/dbraw/zinc/11/46/57/343114657.db2.gz NFZIZQCPMPUVFT-JQWIXIFHSA-N 1 0 190.290 1.466 50 0 ADAARO CC(C)[NH2+]Cc1ccccc1N 34305374 343116039 /nfs/dbraw/zinc/11/60/39/343116039.db2.gz LMZQLDWKPXNCJR-UHFFFAOYSA-N 1 0 164.252 1.767 50 0 ADAARO C[C@H]1CC[NH2+]C[C@@H]1C 34301043 343116119 /nfs/dbraw/zinc/11/61/19/343116119.db2.gz YNKUJUOSWZNSJW-BQBZGAKWSA-N 1 0 113.204 1.252 50 0 in-vitro ADAARO Cc1coc(C[NH3+])c1 34344951 343116876 /nfs/dbraw/zinc/11/68/76/343116876.db2.gz HMHSVQXZBMKUMA-UHFFFAOYSA-N 1 0 111.144 1.047 50 0 ADAARO CC1(C(N)=[NH2+])CCCCC1 34349896 343117042 /nfs/dbraw/zinc/11/70/42/343117042.db2.gz CETBGRXIUXLXKT-UHFFFAOYSA-N 1 0 140.230 1.893 50 0 ADAARO CC[C@H](C[NH3+])NC(=O)OC(C)(C)C 34361993 343117482 /nfs/dbraw/zinc/11/74/82/343117482.db2.gz KGJCYTMWAXWVOM-SSDOTTSWSA-N 1 0 188.271 1.248 50 0 in-vitro ADAARO CN(Cc1ccccc1)[C@@H]1CC[NH2+]C1 34376321 343117652 /nfs/dbraw/zinc/11/76/52/343117652.db2.gz YYCPQEKHXOHJNG-GFCCVEGCSA-N 1 0 190.290 1.480 50 0 in-vitro ADAARO CN(Cc1ccccc1)[C@H]1CC[NH2+]C1 34376323 343117725 /nfs/dbraw/zinc/11/77/25/343117725.db2.gz YYCPQEKHXOHJNG-LBPRGKRZSA-N 1 0 190.290 1.480 50 0 in-vitro ADAARO CC(C)[C@@H](CO)[NH2+]Cc1ccccc1 34380914 343117814 /nfs/dbraw/zinc/11/78/14/343117814.db2.gz HQUYDMGPGDLNJM-GFCCVEGCSA-N 1 0 193.290 1.793 50 0 in-vitro ADAARO CCc1ccc(C[NH3+])o1 34406437 343118203 /nfs/dbraw/zinc/11/82/03/343118203.db2.gz MZJGGJLSLFTDQS-UHFFFAOYSA-N 1 0 125.171 1.301 50 0 ADAARO CC[C@]1(C)CC(=O)CC(C)(C)[NH2+]1 34412774 343118498 /nfs/dbraw/zinc/11/84/98/343118498.db2.gz JCBSYOKILZXFLZ-SNVBAGLBSA-N 1 0 169.268 1.886 50 0 biogenic ADAARO C[C@H]1CC[C@@H]([NH3+])C1 34412081 343118527 /nfs/dbraw/zinc/11/85/27/343118527.db2.gz LGSSDLSVHUCRFI-NTSWFWBYSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO CC[C@@]1(C)CC(=O)CC(C)(C)[NH2+]1 34412775 343118603 /nfs/dbraw/zinc/11/86/03/343118603.db2.gz JCBSYOKILZXFLZ-JTQLQIEISA-N 1 0 169.268 1.886 50 0 biogenic ADAARO C[NH2+]CCCNc1ccccc1 34411718 343118625 /nfs/dbraw/zinc/11/86/25/343118625.db2.gz JSZRUWNULDIIGM-UHFFFAOYSA-N 1 0 164.252 1.708 50 0 in-vitro ADAARO Cc1cccc2[nH+]c(N)[nH]c12 34410850 343118653 /nfs/dbraw/zinc/11/86/53/343118653.db2.gz JYYASXKOESRUKU-UHFFFAOYSA-N 1 0 147.181 1.454 50 0 in-vitro ADAARO C[C@H]1CC[C@H]([NH3+])C1 34412079 343118693 /nfs/dbraw/zinc/11/86/93/343118693.db2.gz LGSSDLSVHUCRFI-WDSKDSINSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO CC1(C)CSCC[NH2+]1 34421819 343118891 /nfs/dbraw/zinc/11/88/91/343118891.db2.gz CQQZUNZROLXKHB-UHFFFAOYSA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO CC[C@](CO)([NH2+]C)c1ccccc1 34413896 343118921 /nfs/dbraw/zinc/11/89/21/343118921.db2.gz HRQGMPWJXQSTEH-LLVKDONJSA-N 1 0 179.263 1.504 50 0 in-vitro ADAARO C[N@@H+]1[C@@H]2CC=C[C@H]1CC2 34448094 343119266 /nfs/dbraw/zinc/11/92/66/343119266.db2.gz RNHFKJBXKFGPIY-JGVFFNPUSA-N 1 0 123.199 1.409 50 0 ADAARO CCc1cc(N)cc[nH+]1 34478441 343120038 /nfs/dbraw/zinc/12/00/38/343120038.db2.gz AKZCAQJRKXGRMH-UHFFFAOYSA-N 1 0 122.171 1.226 50 0 in-vitro ADAARO C[C@]1(C[NH3+])CC1(Cl)Cl 34477608 343120042 /nfs/dbraw/zinc/12/00/42/343120042.db2.gz UMPWYZWZEOBJDO-SCSAIBSYSA-N 1 0 154.040 1.529 50 0 ADAARO CC1(C)CCC[C@@H]1[NH3+] 34496800 343120318 /nfs/dbraw/zinc/12/03/18/343120318.db2.gz NODFGJYBXPEUCQ-LURJTMIESA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO CCC(C)(C)[C@@H](C)[NH3+] 34496802 343120340 /nfs/dbraw/zinc/12/03/40/343120340.db2.gz RNZOJMNUJVGQKF-ZCFIWIBFSA-N 1 0 115.220 1.770 50 0 ADAARO CC1(C)CCC[C@H]1[NH3+] 34496801 343120474 /nfs/dbraw/zinc/12/04/74/343120474.db2.gz NODFGJYBXPEUCQ-ZCFIWIBFSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO Cc1ccc2c(c1)c(CC[NH3+])cn2C 34515264 343120835 /nfs/dbraw/zinc/12/08/35/343120835.db2.gz OAQIQXOQHLLSQL-UHFFFAOYSA-N 1 0 188.274 1.988 50 0 in-vitro ADAARO C[C@H](CC[NH3+])NC(=O)OC(C)(C)C 34541031 343121430 /nfs/dbraw/zinc/12/14/30/343121430.db2.gz JOFFSNZHLGGAJC-SSDOTTSWSA-N 1 0 188.271 1.248 50 0 in-vitro ADAARO CC(C)Oc1ccccc1OCC[NH3+] 34559279 343121840 /nfs/dbraw/zinc/12/18/40/343121840.db2.gz HSAPQQCIVXSCQB-UHFFFAOYSA-N 1 0 195.262 1.811 50 0 ADAARO C[C@H]([NH3+])C1CCCC1 34596144 343122872 /nfs/dbraw/zinc/12/28/72/343122872.db2.gz NLHIUUMEKSNMLS-LURJTMIESA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO CC1=C(C)C[NH2+]CC1 34596308 343122887 /nfs/dbraw/zinc/12/28/87/343122887.db2.gz VRKGEWIQYFKDEJ-UHFFFAOYSA-N 1 0 111.188 1.316 50 0 ADAARO C[NH+](C)[C@@H]1CCCCO1 34612565 343123428 /nfs/dbraw/zinc/12/34/28/343123428.db2.gz JMVPFKZRJBWAEK-ZETCQYMHSA-N 1 0 129.203 1.075 50 0 ADAARO CCc1c[nH+]ccc1N 34617261 343123522 /nfs/dbraw/zinc/12/35/22/343123522.db2.gz ODKNKXQVRUFTPT-UHFFFAOYSA-N 1 0 122.171 1.226 50 0 ADAARO CC1=CC[C@@H]([NH3+])CC1 34741820 343124403 /nfs/dbraw/zinc/12/44/03/343124403.db2.gz GJIKAJOLWXMKEG-SSDOTTSWSA-N 1 0 111.188 1.444 50 0 ADAARO CC(C)NC(=O)[C@@H]([NH3+])c1ccccc1 34754815 343124732 /nfs/dbraw/zinc/12/47/32/343124732.db2.gz AOCWCZLEZLZYQF-JTQLQIEISA-N 1 0 192.262 1.211 50 0 ADAARO Cc1cccc([C@@H]2C[NH2+]C[C@H]2CO)c1 34927140 343125859 /nfs/dbraw/zinc/12/58/59/343125859.db2.gz XXOFLUSHPQSGFW-RYUDHWBXSA-N 1 0 191.274 1.290 50 0 in-vitro ADAARO Cc1ccc(Cl)cc1NC(N)=[NH2+] 34936103 343125983 /nfs/dbraw/zinc/12/59/83/343125983.db2.gz RCVCEAWHDUGLQN-UHFFFAOYSA-N 1 0 183.642 1.954 50 0 ADAARO Cc1nc2sccn2c1C[NH3+] 34936158 343126020 /nfs/dbraw/zinc/12/60/20/343126020.db2.gz GQVOAHURTUVFFM-UHFFFAOYSA-N 1 0 167.237 1.163 50 0 ADAARO Cc1c(Cl)cccc1NC(N)=[NH2+] 34936106 343126055 /nfs/dbraw/zinc/12/60/55/343126055.db2.gz GRCIVJXVNQSBFC-UHFFFAOYSA-N 1 0 183.642 1.954 50 0 ADAARO C[C@@]1(c2ccccc2)C[NH2+]C[C@H]1CO 34927148 343126095 /nfs/dbraw/zinc/12/60/95/343126095.db2.gz ZHOVSSQOJBGISI-RYUDHWBXSA-N 1 0 191.274 1.156 50 0 ADAARO CC(C)[C@H]([NH3+])c1cnn(C)c1 34957680 343126234 /nfs/dbraw/zinc/12/62/34/343126234.db2.gz SWZWBESHPOOIGJ-QMMMGPOBSA-N 1 0 153.229 1.076 50 0 ADAARO C[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2C 34940682 343126517 /nfs/dbraw/zinc/12/65/17/343126517.db2.gz AVYYGYRFEPCUGG-ZETCQYMHSA-N 1 0 190.246 1.225 50 0 in-vitro ADAARO Cc1ccc(/C=C/C[NH3+])cc1 35059563 343127406 /nfs/dbraw/zinc/12/74/06/343127406.db2.gz OITJKIRWSYUMSZ-NSCUHMNNSA-N 1 0 147.221 1.967 50 0 ADAARO C[C@H]([NH3+])c1ccc(F)cn1 35078002 343127435 /nfs/dbraw/zinc/12/74/35/343127435.db2.gz KNKRMCSSVBSDNL-YFKPBYRVSA-N 1 0 140.161 1.240 50 0 in-vitro ADAARO C[C@H]1CCC(C)(C)C[NH2+]1 35028258 343127440 /nfs/dbraw/zinc/12/74/40/343127440.db2.gz KYWACIHIISYYSC-ZETCQYMHSA-N 1 0 127.231 1.785 50 0 ADAARO C[NH2+]C1CCSCC1 35120925 343128328 /nfs/dbraw/zinc/12/83/28/343128328.db2.gz ZPKZOGQAVBTWOZ-UHFFFAOYSA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO C[NH2+]CC(=O)NCCC1=CCCCC1 35121733 343128354 /nfs/dbraw/zinc/12/83/54/343128354.db2.gz UKSFGLPFYTYPRP-UHFFFAOYSA-N 1 0 196.294 1.213 50 0 ADAARO Cc1ccc(C)n1CC[NH+](C)C 35120200 343128581 /nfs/dbraw/zinc/12/85/81/343128581.db2.gz UKTBQUMTMNNJDP-UHFFFAOYSA-N 1 0 166.268 1.667 50 0 ADAARO C[C@H]([NH3+])C(=O)N(C)C1CCCCC1 35154300 343129347 /nfs/dbraw/zinc/12/93/47/343129347.db2.gz DTLYSUCVUMLCMH-QMMMGPOBSA-N 1 0 184.283 1.125 50 0 ADAARO CCC[NH2+]C[C@H]1CCCCO1 35151075 343129389 /nfs/dbraw/zinc/12/93/89/343129389.db2.gz WKGWUINPAIIGNQ-SECBINFHSA-N 1 0 157.257 1.555 50 0 in-vitro ADAARO CCCCSCCC[NH3+] 35160099 343129517 /nfs/dbraw/zinc/12/95/17/343129517.db2.gz FXIXKBWZQPKQLB-UHFFFAOYSA-N 1 0 147.287 1.869 50 0 ADAARO C[C@](O)(C[NH3+])CCc1ccccc1 35278866 343131402 /nfs/dbraw/zinc/13/14/02/343131402.db2.gz LZGPGHGYGAIFGH-LLVKDONJSA-N 1 0 179.263 1.329 50 0 ADAARO Cc1cccc(N2CCC[NH2+]CC2)c1 35298395 343131867 /nfs/dbraw/zinc/13/18/67/343131867.db2.gz WVOUVKODNOHDPL-UHFFFAOYSA-N 1 0 190.290 1.795 50 0 ADAARO Cc1cc(C[C@H]2CCC[C@H]2[NH3+])on1 35316212 343131888 /nfs/dbraw/zinc/13/18/88/343131888.db2.gz WSHPYXKAVDBYFM-PSASIEDQSA-N 1 0 180.251 1.653 50 0 ADAARO CC[C@@H]1CCC[NH2+]CC1 35359194 343132016 /nfs/dbraw/zinc/13/20/16/343132016.db2.gz TVTNCZUWGNRIOC-MRVPVSSYSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO C[C@H]1CCC[NH2+]CC1 35359193 343132287 /nfs/dbraw/zinc/13/22/87/343132287.db2.gz WKZHYWWKUYGHKO-ZETCQYMHSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO CC1(C)C(C[NH3+])C1(C)C 35322836 343132308 /nfs/dbraw/zinc/13/23/08/343132308.db2.gz BXXKXEVHAQMPKM-UHFFFAOYSA-N 1 0 127.231 1.627 50 0 in-vitro ADAARO CC[C@H]1CCC[NH2+]CC1 35359195 343132372 /nfs/dbraw/zinc/13/23/72/343132372.db2.gz TVTNCZUWGNRIOC-QMMMGPOBSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO CCC[N@@H+]1CCC[C@H]([C@@H](C)O)C1 35598590 343133191 /nfs/dbraw/zinc/13/31/91/343133191.db2.gz QDWRCNCPOBBLRJ-ZJUUUORDSA-N 1 0 171.284 1.489 50 0 in-vitro ADAARO CCC[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 35598591 343133347 /nfs/dbraw/zinc/13/33/47/343133347.db2.gz QDWRCNCPOBBLRJ-NXEZZACHSA-N 1 0 171.284 1.489 50 0 in-vitro ADAARO C[C@H](C[NH2+][C@H](C)CO)c1ccccc1 35602404 343134099 /nfs/dbraw/zinc/13/40/99/343134099.db2.gz DXPXQVNBKOIQBJ-GHMZBOCLSA-N 1 0 193.290 1.761 50 0 ADAARO C[C@H](CO)[NH2+]C[C@H](C)c1ccccc1 35602403 343134268 /nfs/dbraw/zinc/13/42/68/343134268.db2.gz DXPXQVNBKOIQBJ-WDEREUQCSA-N 1 0 193.290 1.761 50 0 ADAARO CC[C@H]1CCCC[N@@H+]1CCC(=O)OC 35605637 343134762 /nfs/dbraw/zinc/13/47/62/343134762.db2.gz LELFTYBWHOFPBS-JTQLQIEISA-N 1 0 199.294 1.814 50 0 ADAARO CC[C@@H]1CCCC[N@@H+]1CCC(=O)OC 35605633 343134777 /nfs/dbraw/zinc/13/47/77/343134777.db2.gz LELFTYBWHOFPBS-SNVBAGLBSA-N 1 0 199.294 1.814 50 0 ADAARO C[C@H]1CCC[C@@H](C)[N@@H+]1CCO 35649810 343135648 /nfs/dbraw/zinc/13/56/48/343135648.db2.gz NJBXJPLWOZJAJJ-DTORHVGOSA-N 1 0 157.257 1.242 50 0 ADAARO Cc1ccc2c(c1C)OC[C@@H]2[NH3+] 35653711 343136296 /nfs/dbraw/zinc/13/62/96/343136296.db2.gz XVYGOLFJDGWZFD-VIFPVBQESA-N 1 0 163.220 1.696 50 0 in-vitro ADAARO Cc1ccc([C@H](N)C[NH3+])c(C)c1 35677060 343136762 /nfs/dbraw/zinc/13/67/62/343136762.db2.gz SNWQYHLWTPSPAH-SNVBAGLBSA-N 1 0 164.252 1.262 50 0 ADAARO Cc1ccc([C@@H](N)C[NH3+])c(C)c1 35677061 343136862 /nfs/dbraw/zinc/13/68/62/343136862.db2.gz SNWQYHLWTPSPAH-JTQLQIEISA-N 1 0 164.252 1.262 50 0 ADAARO C[C@H]1COc2ccccc2[C@H]1[NH3+] 35732313 343137542 /nfs/dbraw/zinc/13/75/42/343137542.db2.gz ZZNNYMMLWMBZOR-XVKPBYJWSA-N 1 0 163.220 1.715 50 0 ADAARO C[C@H]1COc2ccccc2[C@@H]1[NH3+] 35732311 343137597 /nfs/dbraw/zinc/13/75/97/343137597.db2.gz ZZNNYMMLWMBZOR-OIBJUYFYSA-N 1 0 163.220 1.715 50 0 ADAARO Cc1nn(-c2cc[nH+]cc2)cc1C=O 35779417 343139116 /nfs/dbraw/zinc/13/91/16/343139116.db2.gz QISJZBVXZPMBOJ-UHFFFAOYSA-N 1 0 187.202 1.388 50 0 in-vitro ADAARO Cc1ccc2c([nH+]1)NCCC2 36047163 343140186 /nfs/dbraw/zinc/14/01/86/343140186.db2.gz HBWCJMBLUCNJIS-UHFFFAOYSA-N 1 0 148.209 1.748 50 0 in-vitro ADAARO Cc1ccc([C@@](C)(O)C[NH3+])c(C)c1 36156367 343140674 /nfs/dbraw/zinc/14/06/74/343140674.db2.gz VSFZOLIESCNUDP-NSHDSACASA-N 1 0 179.263 1.470 50 0 ADAARO Cc1ccc([C@](C)(O)C[NH3+])c(C)c1 36156366 343140689 /nfs/dbraw/zinc/14/06/89/343140689.db2.gz VSFZOLIESCNUDP-LLVKDONJSA-N 1 0 179.263 1.470 50 0 ADAARO CC[C@H]1CCC[N@@H+](C(C)(C)CN)C1 36169221 343141199 /nfs/dbraw/zinc/14/11/99/343141199.db2.gz LCHLPUJNGYUNFJ-JTQLQIEISA-N 1 0 184.327 1.846 50 0 in-vitro ADAARO CC[C@H]1CCC[N@H+](CCO)C1 36170311 343141206 /nfs/dbraw/zinc/14/12/06/343141206.db2.gz FFDUYCRRUNOMCB-VIFPVBQESA-N 1 0 157.257 1.101 50 0 ADAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CN)C1 36169220 343141355 /nfs/dbraw/zinc/14/13/55/343141355.db2.gz LCHLPUJNGYUNFJ-SNVBAGLBSA-N 1 0 184.327 1.846 50 0 in-vitro ADAARO Cc1ccc2[nH+]cc(N)n2c1 36221962 343141643 /nfs/dbraw/zinc/14/16/43/343141643.db2.gz MTSFFSJPOIFWAP-UHFFFAOYSA-N 1 0 147.181 1.225 50 0 ADAARO Cc1[nH+]c2ccc(Cl)cn2c1N 36222237 343141683 /nfs/dbraw/zinc/14/16/83/343141683.db2.gz ZWGYKLUSZLCOOK-UHFFFAOYSA-N 1 0 181.626 1.878 50 0 in-vitro ADAARO Cc1cccc2[nH+]cc(N)n12 36221961 343141781 /nfs/dbraw/zinc/14/17/81/343141781.db2.gz ZQOVIOAGEVTUMH-UHFFFAOYSA-N 1 0 147.181 1.225 50 0 in-vitro ADAARO CC[C@@H]1COC(C)(C)C[NH2+]1 36230603 343142118 /nfs/dbraw/zinc/14/21/18/343142118.db2.gz IPCWHJLDUXDZAO-SSDOTTSWSA-N 1 0 143.230 1.163 50 0 ADAARO Cc1c[nH+]c(NC2CC2)c(N)c1 36226405 343142290 /nfs/dbraw/zinc/14/22/90/343142290.db2.gz LGLBKJHMLBEEMU-UHFFFAOYSA-N 1 0 163.224 1.547 50 0 ADAARO Cc1cnc2ccc(C[NH3+])cn12 36243343 343142651 /nfs/dbraw/zinc/14/26/51/343142651.db2.gz YWVOZRKEWRXUNP-UHFFFAOYSA-N 1 0 161.208 1.101 50 0 in-vitro ADAARO Cc1ccc(N)c(N(C)C)[nH+]1 36250713 343142661 /nfs/dbraw/zinc/14/26/61/343142661.db2.gz TZMWSWHAIQULJZ-UHFFFAOYSA-N 1 0 151.213 1.038 50 0 in-vitro ADAARO Cc1cc2[nH+]c[nH]c2c(N)c1C 36245276 343142750 /nfs/dbraw/zinc/14/27/50/343142750.db2.gz LJDXEBIUFPHIKD-UHFFFAOYSA-N 1 0 161.208 1.762 50 0 in-vitro ADAARO Cc1cc(N2CCCC2)[nH+]cc1N 36250842 343142772 /nfs/dbraw/zinc/14/27/72/343142772.db2.gz JQAZDDWKDBPEKZ-UHFFFAOYSA-N 1 0 177.251 1.572 50 0 ADAARO Cc1cc[nH+]c(NC(C)C)c1N 36244832 343142817 /nfs/dbraw/zinc/14/28/17/343142817.db2.gz XNIASXMGYVDMPG-UHFFFAOYSA-N 1 0 165.240 1.793 50 0 ADAARO C[C@H]([NH3+])Cc1cn2ccccc2n1 36243935 343142931 /nfs/dbraw/zinc/14/29/31/343142931.db2.gz WZCUWZAVDFVCTE-QMMMGPOBSA-N 1 0 175.235 1.224 50 0 ADAARO CC1(C)CCC[C@H]1C[NH3+] 36294405 343143175 /nfs/dbraw/zinc/14/31/75/343143175.db2.gz FICBTSLUMJAISS-ZETCQYMHSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO C[C@H]1CCC[C@@H]1C[NH3+] 36294394 343143206 /nfs/dbraw/zinc/14/32/06/343143206.db2.gz AXJPIFGJTJJDJR-NKWVEPMBSA-N 1 0 113.204 1.381 50 0 in-vitro ADAARO C[C@H]1CCC[C@H]1C[NH3+] 36294399 343143375 /nfs/dbraw/zinc/14/33/75/343143375.db2.gz AXJPIFGJTJJDJR-BQBZGAKWSA-N 1 0 113.204 1.381 50 0 in-vitro ADAARO CN(CC(F)(F)F)C1CC[NH2+]CC1 36300888 343143511 /nfs/dbraw/zinc/14/35/11/343143511.db2.gz SCAKKDFFIOKBKX-UHFFFAOYSA-N 1 0 196.216 1.233 50 0 in-vitro ADAARO CC1(C)CCC[C@@H]1C[NH3+] 36294402 343143523 /nfs/dbraw/zinc/14/35/23/343143523.db2.gz FICBTSLUMJAISS-SSDOTTSWSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO CC(C)[NH2+]C1CCOCC1 36303729 343143525 /nfs/dbraw/zinc/14/35/25/343143525.db2.gz ABKJVDAMVQXXSZ-UHFFFAOYSA-N 1 0 143.230 1.163 50 0 in-vitro ADAARO C[n+]1ccnc2cc(Cl)ccc21 36382707 343144764 /nfs/dbraw/zinc/14/47/64/343144764.db2.gz JIKFZLAUMQBUHR-UHFFFAOYSA-N 1 0 179.630 1.713 50 0 ADAARO Cc1nc2n(c1CC[NH3+])CCCC2 36379819 343144913 /nfs/dbraw/zinc/14/49/13/343144913.db2.gz OVCRFLLKNDXHEC-UHFFFAOYSA-N 1 0 179.267 1.029 50 0 ADAARO C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1 36435332 343145259 /nfs/dbraw/zinc/14/52/59/343145259.db2.gz XFGMXWZXBFQKLU-NXEZZACHSA-N 1 0 198.310 1.195 50 0 ADAARO C[C@H]([NH3+])c1ccoc1 36447718 343145471 /nfs/dbraw/zinc/14/54/71/343145471.db2.gz SBVKKZRVKMOURL-YFKPBYRVSA-N 1 0 111.144 1.299 50 0 in-vitro ADAARO C[N@@H+]1CCC(=O)[C@@H]2CCC[C@@H]21 36437707 343145489 /nfs/dbraw/zinc/14/54/89/343145489.db2.gz YGEYYJFGMWCUNV-SFYZADRCSA-N 1 0 153.225 1.060 50 0 in-vitro ADAARO C[C@H]1C[C@H]([NH3+])CN1Cc1ccccc1 36438369 343145737 /nfs/dbraw/zinc/14/57/37/343145737.db2.gz GEZSNOKHPRRTIC-JQWIXIFHSA-N 1 0 190.290 1.608 50 0 in-vitro ADAARO Cc1c(F)ccc(C[NH3+])c1F 36533308 343146614 /nfs/dbraw/zinc/14/66/14/343146614.db2.gz LPMVSOQQHWTDRH-UHFFFAOYSA-N 1 0 157.163 1.732 50 0 ADAARO C[C@H](C[NH3+])COCc1ccccc1 36678218 343147701 /nfs/dbraw/zinc/14/77/01/343147701.db2.gz MDENEXDTXSSCRK-SNVBAGLBSA-N 1 0 179.263 1.798 50 0 in-vitro ADAARO CN(C)C(=O)Nc1ccc(C[NH3+])cc1 36720880 343148296 /nfs/dbraw/zinc/14/82/96/343148296.db2.gz FRFADSRZLRVIDV-UHFFFAOYSA-N 1 0 193.250 1.239 50 0 in-vitro ADAARO CC[C@H]([NH3+])C(C)(C)C 36683897 343148311 /nfs/dbraw/zinc/14/83/11/343148311.db2.gz PCQKMDBZOIYAKY-LURJTMIESA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO CC[C@@H]([NH3+])C(C)(C)C 36683898 343148346 /nfs/dbraw/zinc/14/83/46/343148346.db2.gz PCQKMDBZOIYAKY-ZCFIWIBFSA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO CCc1nc(C2([NH3+])CCCC2)no1 36762608 343149321 /nfs/dbraw/zinc/14/93/21/343149321.db2.gz IHIDOZUVHPHRDK-UHFFFAOYSA-N 1 0 181.239 1.360 50 0 in-vitro ADAARO CC[C@@H]([NH3+])c1ncc(C)s1 36761645 343149504 /nfs/dbraw/zinc/14/95/04/343149504.db2.gz APKQLPMWSOGOKA-ZCFIWIBFSA-N 1 0 156.254 1.861 50 0 in-vitro ADAARO C[C@H]([NH3+])c1noc(C(F)(F)F)n1 36765065 343149614 /nfs/dbraw/zinc/14/96/14/343149614.db2.gz APIHQVPWSRBKOH-REOHCLBHSA-N 1 0 181.117 1.108 50 0 ADAARO CC[C@H]([NH3+])c1ncc(C)s1 36761643 343149696 /nfs/dbraw/zinc/14/96/96/343149696.db2.gz APKQLPMWSOGOKA-LURJTMIESA-N 1 0 156.254 1.861 50 0 in-vitro ADAARO CC(C)c1nc(C2([NH3+])CCCC2)no1 36763657 343149702 /nfs/dbraw/zinc/14/97/02/343149702.db2.gz NTPFBFYOCKHFML-UHFFFAOYSA-N 1 0 195.266 1.921 50 0 in-vitro ADAARO CC[C@H]([NH3+])[C@H](O)c1ccccc1F 36779349 343149943 /nfs/dbraw/zinc/14/99/43/343149943.db2.gz PTVLWJBAUNCFLW-VHSXEESVSA-N 1 0 183.226 1.596 50 0 in-vitro ADAARO CC[C@@H]([NH3+])[C@@H](O)c1ccccc1F 36779353 343149967 /nfs/dbraw/zinc/14/99/67/343149967.db2.gz PTVLWJBAUNCFLW-ZJUUUORDSA-N 1 0 183.226 1.596 50 0 in-vitro ADAARO CC[C@H]([NH3+])Cc1ccc(O)cc1 36778970 343149972 /nfs/dbraw/zinc/14/99/72/343149972.db2.gz NKUCUOOCWCAUTO-VIFPVBQESA-N 1 0 165.236 1.672 50 0 in-vitro ADAARO CC[C@@H]([NH3+])Cc1ccc(O)cc1 36778972 343150073 /nfs/dbraw/zinc/15/00/73/343150073.db2.gz NKUCUOOCWCAUTO-SECBINFHSA-N 1 0 165.236 1.672 50 0 in-vitro ADAARO CC[C@@H]([NH3+])[C@H](O)c1ccccc1F 36779350 343150176 /nfs/dbraw/zinc/15/01/76/343150176.db2.gz PTVLWJBAUNCFLW-NXEZZACHSA-N 1 0 183.226 1.596 50 0 in-vitro ADAARO Cc1ccc(-c2c[nH]c(C[NH3+])n2)cc1 36870974 343150845 /nfs/dbraw/zinc/15/08/45/343150845.db2.gz RRTFBILUUADTJV-UHFFFAOYSA-N 1 0 187.246 1.844 50 0 in-vitro ADAARO CC[C@@H]([NH3+])C(=O)NCc1cccs1 36871600 343151410 /nfs/dbraw/zinc/15/14/10/343151410.db2.gz LQNGXUZVCCDQCA-MRVPVSSYSA-N 1 0 198.291 1.102 50 0 ADAARO CC[C@@H]([NH3+])C(=O)N(C)C1CCCCC1 36871295 343151479 /nfs/dbraw/zinc/15/14/79/343151479.db2.gz QJGXUAXCPFJRAO-SNVBAGLBSA-N 1 0 198.310 1.515 50 0 in-vitro ADAARO CC[C@@H]([NH3+])C(=O)N1CCCCCC1 36871045 343151503 /nfs/dbraw/zinc/15/15/03/343151503.db2.gz MJGBTZBTZOFYIM-SECBINFHSA-N 1 0 184.283 1.126 50 0 ADAARO CC[C@H]([NH3+])C(=O)NCc1cccs1 36871599 343151534 /nfs/dbraw/zinc/15/15/34/343151534.db2.gz LQNGXUZVCCDQCA-QMMMGPOBSA-N 1 0 198.291 1.102 50 0 ADAARO CC[C@H]([NH3+])C(=O)N1CCCCCC1 36871044 343151722 /nfs/dbraw/zinc/15/17/22/343151722.db2.gz MJGBTZBTZOFYIM-VIFPVBQESA-N 1 0 184.283 1.126 50 0 ADAARO C[C@H]1CCC[N@@H+](C[C@@H](C)N)C1 36874766 343152066 /nfs/dbraw/zinc/15/20/66/343152066.db2.gz OPSPNTUNGOXOIC-DTWKUNHWSA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO CCCCNC(=O)[C@H]([NH3+])CCC 36872730 343152198 /nfs/dbraw/zinc/15/21/98/343152198.db2.gz AUWGTHMRMCQQQS-MRVPVSSYSA-N 1 0 172.272 1.030 50 0 ADAARO Cc1nc([C@@H]2CCC[NH2+]2)[nH]c1C 36874043 343152418 /nfs/dbraw/zinc/15/24/18/343152418.db2.gz YOCUBPOCMQJJRP-QMMMGPOBSA-N 1 0 165.240 1.451 50 0 ADAARO C[C@H]([NH3+])c1nc(C(F)(F)F)c[nH]1 36872127 343152428 /nfs/dbraw/zinc/15/24/28/343152428.db2.gz NHVNMNALXYHXDM-VKHMYHEASA-N 1 0 179.145 1.448 50 0 ADAARO CCCCNC(=O)[C@@H]([NH3+])CCC 36872731 343152433 /nfs/dbraw/zinc/15/24/33/343152433.db2.gz AUWGTHMRMCQQQS-QMMMGPOBSA-N 1 0 172.272 1.030 50 0 ADAARO Cc1nc([C@H]2CCC[NH2+]C2)[nH]c1C 36876370 343152799 /nfs/dbraw/zinc/15/27/99/343152799.db2.gz HTDBPCTVBSGCJR-VIFPVBQESA-N 1 0 179.267 1.494 50 0 ADAARO Cc1nc([C@@H]2CCC[NH2+]C2)[nH]c1C 36876369 343152916 /nfs/dbraw/zinc/15/29/16/343152916.db2.gz HTDBPCTVBSGCJR-SECBINFHSA-N 1 0 179.267 1.494 50 0 ADAARO C[C@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 36892092 343152961 /nfs/dbraw/zinc/15/29/61/343152961.db2.gz GRPHUVBYBPOPLW-YFKPBYRVSA-N 1 0 178.191 1.141 50 0 ADAARO CCn1c(N)[nH+]c2cc(C)ccc21 36899196 343153136 /nfs/dbraw/zinc/15/31/36/343153136.db2.gz PUJYJVOXWBLSSF-UHFFFAOYSA-N 1 0 175.235 1.947 50 0 in-vitro ADAARO CCn1c(N)[nH+]c2cc(F)ccc21 36899195 343153264 /nfs/dbraw/zinc/15/32/64/343153264.db2.gz JIKIZTCIQZLPJR-UHFFFAOYSA-N 1 0 179.198 1.778 50 0 ADAARO Cc1ccc(C[C@H](C)[NH3+])s1 36906768 343153646 /nfs/dbraw/zinc/15/36/46/343153646.db2.gz HETNGCXNWLZADN-LURJTMIESA-N 1 0 155.266 1.946 50 0 in-vitro ADAARO Cc1ccc(C[C@@H](C)[NH3+])s1 36906767 343153783 /nfs/dbraw/zinc/15/37/83/343153783.db2.gz HETNGCXNWLZADN-ZCFIWIBFSA-N 1 0 155.266 1.946 50 0 in-vitro ADAARO Cc1n[nH]cc1C[NH2+][C@H](C)C(C)C 36901721 343153881 /nfs/dbraw/zinc/15/38/81/343153881.db2.gz LBUXQNBRURWCSR-MRVPVSSYSA-N 1 0 181.283 1.852 50 0 ADAARO Cc1n[nH]cc1C[NH2+][C@@H](C)C(C)C 36901720 343153954 /nfs/dbraw/zinc/15/39/54/343153954.db2.gz LBUXQNBRURWCSR-QMMMGPOBSA-N 1 0 181.283 1.852 50 0 ADAARO Cc1n[nH]cc1C[NH2+]CC1CC1 36901407 343154059 /nfs/dbraw/zinc/15/40/59/343154059.db2.gz RJHNJCIWUSKJSA-UHFFFAOYSA-N 1 0 165.240 1.218 50 0 ADAARO C[NH2+]CCC(F)(F)F 36923666 343154835 /nfs/dbraw/zinc/15/48/35/343154835.db2.gz ONBBNBDNLGQXIX-UHFFFAOYSA-N 1 0 127.109 1.158 50 0 in-vitro ADAARO CCc1ccc([C@@H]([NH3+])CO)cc1 36949494 343155786 /nfs/dbraw/zinc/15/57/86/343155786.db2.gz SPDFWGAHXPEGRE-JTQLQIEISA-N 1 0 165.236 1.241 50 0 in-vitro ADAARO Cc1cc(C)c([C@@H]([NH3+])CO)c(C)c1 36949509 343155788 /nfs/dbraw/zinc/15/57/88/343155788.db2.gz OUGDZOJXPDNULU-JTQLQIEISA-N 1 0 179.263 1.604 50 0 ADAARO CCc1ccc([C@H]([NH3+])CO)cc1 36949493 343155837 /nfs/dbraw/zinc/15/58/37/343155837.db2.gz SPDFWGAHXPEGRE-SNVBAGLBSA-N 1 0 165.236 1.241 50 0 in-vitro ADAARO C[C@H](O)[C@@H]([NH3+])c1ccccc1 36949176 343155844 /nfs/dbraw/zinc/15/58/44/343155844.db2.gz AAEOXZIUGCXWTF-IONNQARKSA-N 1 0 151.209 1.067 50 0 in-vitro ADAARO C[NH2+]CCCC(C)C 36947784 343155847 /nfs/dbraw/zinc/15/58/47/343155847.db2.gz TUCUVZHDJRMHQX-UHFFFAOYSA-N 1 0 115.220 1.642 50 0 in-vitro ADAARO CCC1CCC([NH3+])(C(=O)OC)CC1 36946898 343155863 /nfs/dbraw/zinc/15/58/63/343155863.db2.gz DQNFTVRKJDPGOJ-UHFFFAOYSA-N 1 0 185.267 1.457 50 0 biogenic ADAARO CC(C)[NH2+]C[C@@H]1C[C@H]1C 36947923 343155871 /nfs/dbraw/zinc/15/58/71/343155871.db2.gz QCNKZEAKKHWLLY-SFYZADRCSA-N 1 0 127.231 1.640 50 0 in-vitro ADAARO Cc1ccc(C[NH2+]C2CC2)cn1 36947982 343155904 /nfs/dbraw/zinc/15/59/04/343155904.db2.gz ZHZXTKHHFZWHJJ-UHFFFAOYSA-N 1 0 162.236 1.642 50 0 in-vitro ADAARO CC(C)[NH2+]C[C@H]1C[C@H]1C 36947921 343155914 /nfs/dbraw/zinc/15/59/14/343155914.db2.gz QCNKZEAKKHWLLY-HTQZYQBOSA-N 1 0 127.231 1.640 50 0 in-vitro ADAARO Cc1cc(C)c([C@H]([NH3+])CO)c(C)c1 36949508 343155926 /nfs/dbraw/zinc/15/59/26/343155926.db2.gz OUGDZOJXPDNULU-SNVBAGLBSA-N 1 0 179.263 1.604 50 0 ADAARO CC(C)[NH2+]C[C@H]1C[C@@H]1C 36947922 343155929 /nfs/dbraw/zinc/15/59/29/343155929.db2.gz QCNKZEAKKHWLLY-JGVFFNPUSA-N 1 0 127.231 1.640 50 0 in-vitro ADAARO CCC[NH2+]C[C@H]1Cc2ccccc2O1 36947863 343155953 /nfs/dbraw/zinc/15/59/53/343155953.db2.gz QWKVGBXXBFHXEK-LLVKDONJSA-N 1 0 191.274 1.990 50 0 in-vitro ADAARO CC(C)[NH2+]C[C@@H]1C[C@@H]1C 36947924 343155982 /nfs/dbraw/zinc/15/59/82/343155982.db2.gz QCNKZEAKKHWLLY-YUMQZZPRSA-N 1 0 127.231 1.640 50 0 in-vitro ADAARO CCCCCOC1CC[NH2+]CC1 36963155 343156493 /nfs/dbraw/zinc/15/64/93/343156493.db2.gz VHJZNTFGWYHPSK-UHFFFAOYSA-N 1 0 171.284 1.945 50 0 in-vitro ADAARO CC[C@@H]1CO[C@H](CC)C[NH2+]1 36986229 343156666 /nfs/dbraw/zinc/15/66/66/343156666.db2.gz ZJXYOGYQMICNSB-HTQZYQBOSA-N 1 0 143.230 1.163 50 0 ADAARO Cc1ccc([C@H]2C[NH2+]CCO2)c(C)c1 36965096 343156718 /nfs/dbraw/zinc/15/67/18/343156718.db2.gz RTMGSKWGXJECPV-GFCCVEGCSA-N 1 0 191.274 1.964 50 0 in-vitro ADAARO CC[C@H]1CO[C@H](CC)C[NH2+]1 36986231 343156823 /nfs/dbraw/zinc/15/68/23/343156823.db2.gz ZJXYOGYQMICNSB-JGVFFNPUSA-N 1 0 143.230 1.163 50 0 ADAARO CC[C@H]1CO[C@@H](CC)C[NH2+]1 36986232 343156866 /nfs/dbraw/zinc/15/68/66/343156866.db2.gz ZJXYOGYQMICNSB-YUMQZZPRSA-N 1 0 143.230 1.163 50 0 ADAARO Cc1ccc([C@H]2C[NH2+]CCO2)o1 36965090 343156874 /nfs/dbraw/zinc/15/68/74/343156874.db2.gz BHWYSQNTGGMCED-SECBINFHSA-N 1 0 167.208 1.249 50 0 in-vitro ADAARO CCCC[N@H+](C)CCC(=O)OCC 36984826 343156906 /nfs/dbraw/zinc/15/69/06/343156906.db2.gz JIMCZHRLUZOJGY-UHFFFAOYSA-N 1 0 187.283 1.672 50 0 ADAARO Cc1ccc([C@@H]2C[NH2+]CCO2)c(C)c1 36965095 343156928 /nfs/dbraw/zinc/15/69/28/343156928.db2.gz RTMGSKWGXJECPV-LBPRGKRZSA-N 1 0 191.274 1.964 50 0 in-vitro ADAARO CC[C@H]1C[NH2+][C@H](CC)CO1 36986230 343156950 /nfs/dbraw/zinc/15/69/50/343156950.db2.gz ZJXYOGYQMICNSB-SFYZADRCSA-N 1 0 143.230 1.163 50 0 ADAARO Cc1ccc([C@@H]2C[NH2+]CCO2)o1 36965089 343156979 /nfs/dbraw/zinc/15/69/79/343156979.db2.gz BHWYSQNTGGMCED-VIFPVBQESA-N 1 0 167.208 1.249 50 0 in-vitro ADAARO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH3+] 37022039 343157242 /nfs/dbraw/zinc/15/72/42/343157242.db2.gz JWADZLHEJOORRH-RKDXNWHRSA-N 1 0 184.283 1.125 50 0 ADAARO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH3+] 37022042 343157316 /nfs/dbraw/zinc/15/73/16/343157316.db2.gz JWADZLHEJOORRH-IUCAKERBSA-N 1 0 184.283 1.125 50 0 ADAARO CCC[N@@H+]1Cc2ccc(N)cc2C1 36988185 343157318 /nfs/dbraw/zinc/15/73/18/343157318.db2.gz OTVMJIZBIJQTPX-UHFFFAOYSA-N 1 0 176.263 1.994 50 0 in-vitro ADAARO CCC(CC)[NH2+][C@@H](C)c1nncn1C 37017299 343157448 /nfs/dbraw/zinc/15/74/48/343157448.db2.gz UAUGLAAPQAKQHF-QMMMGPOBSA-N 1 0 196.298 1.654 50 0 ADAARO CC[C@@H]([NH3+])C(C)C 37117801 343160319 /nfs/dbraw/zinc/16/03/19/343160319.db2.gz JYNQKCFJPQEXSL-ZCFIWIBFSA-N 1 0 101.193 1.380 50 0 in-vitro ADAARO C[NH2+]C1CCN(CC(F)(F)F)CC1 37117837 343160539 /nfs/dbraw/zinc/16/05/39/343160539.db2.gz DIVXFJMQJQDAGS-UHFFFAOYSA-N 1 0 196.216 1.233 50 0 ADAARO CC[C@@H](C)C[N@H+](C)CCC(=O)OC 37173654 343161988 /nfs/dbraw/zinc/16/19/88/343161988.db2.gz IZIMQTJDEPRQRT-SECBINFHSA-N 1 0 187.283 1.527 50 0 ADAARO CC[C@H](C)C[N@H+](C)CCC(=O)OC 37173655 343162106 /nfs/dbraw/zinc/16/21/06/343162106.db2.gz IZIMQTJDEPRQRT-VIFPVBQESA-N 1 0 187.283 1.527 50 0 ADAARO C[NH+](C)CCSc1ccc(N)cc1 37182484 343162479 /nfs/dbraw/zinc/16/24/79/343162479.db2.gz KQZATKUQMFHKSV-UHFFFAOYSA-N 1 0 196.319 1.923 50 0 in-vitro ADAARO C[C@H](C[NH3+])c1cccc(F)c1 37245650 343163696 /nfs/dbraw/zinc/16/36/96/343163696.db2.gz XDGLXAPWDQVMTK-SSDOTTSWSA-N 1 0 153.200 1.888 50 0 in-vitro ADAARO CCC(CC)[N@@H+]1CC[C@H](N)C1 37241693 343163743 /nfs/dbraw/zinc/16/37/43/343163743.db2.gz RZQCGPVZOABCIU-QMMMGPOBSA-N 1 0 156.273 1.208 50 0 ADAARO Cc1ccc(N2CC[C@@H]([NH3+])C2)cc1 37242142 343163786 /nfs/dbraw/zinc/16/37/86/343163786.db2.gz IIBFNTQWVBGVKU-SNVBAGLBSA-N 1 0 176.263 1.532 50 0 in-vitro ADAARO CCCN(CCC)[C@H]1CCC[NH2+]C1 37246871 343164294 /nfs/dbraw/zinc/16/42/94/343164294.db2.gz ZPJMUXVGKPAFGO-NSHDSACASA-N 1 0 184.327 1.860 50 0 ADAARO CC[C@@H]([NH3+])C(=O)OCc1ccccc1 37245988 343164254 /nfs/dbraw/zinc/16/42/54/343164254.db2.gz CDENZIFHXOBSOW-SNVBAGLBSA-N 1 0 193.246 1.467 50 0 ADAARO C[C@H]1CCCC[C@@H]1C[NH3+] 37245881 343164260 /nfs/dbraw/zinc/16/42/60/343164260.db2.gz YNCOJHDAHDQVOG-JGVFFNPUSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO C[C@H]([NH2+]CCO)C1CCCCC1 37250529 343164262 /nfs/dbraw/zinc/16/42/62/343164262.db2.gz ITAAEHYRDVORCC-VIFPVBQESA-N 1 0 171.284 1.537 50 0 in-vitro ADAARO C[C@H]1CCCC[C@H]1C[NH3+] 37245885 343164303 /nfs/dbraw/zinc/16/43/03/343164303.db2.gz YNCOJHDAHDQVOG-YUMQZZPRSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO CCCCN(C)[C@H]1CCC[NH2+]C1 37246716 343164373 /nfs/dbraw/zinc/16/43/73/343164373.db2.gz LBYDKTAPBCJSTO-JTQLQIEISA-N 1 0 170.300 1.470 50 0 ADAARO CCCN(CCC)[C@@H]1CCC[NH2+]C1 37246869 343164377 /nfs/dbraw/zinc/16/43/77/343164377.db2.gz ZPJMUXVGKPAFGO-LLVKDONJSA-N 1 0 184.327 1.860 50 0 ADAARO CC1CCN([C@H]2CCC[NH2+]C2)CC1 37246810 343164419 /nfs/dbraw/zinc/16/44/19/343164419.db2.gz OFJFUSPUMDOMFN-NSHDSACASA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO C[C@](O)(C[NH3+])C1CCCCC1 37367363 343166583 /nfs/dbraw/zinc/16/65/83/343166583.db2.gz MIQIIGHQMPVULC-VIFPVBQESA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO CC1([NH3+])Cc2ccccc2C1 37377063 343166812 /nfs/dbraw/zinc/16/68/12/343166812.db2.gz NWLUVPKKKNCNIW-UHFFFAOYSA-N 1 0 147.221 1.503 50 0 in-vitro ADAARO C[C@]1([NH3+])CCc2ccccc21 37377151 343166814 /nfs/dbraw/zinc/16/68/14/343166814.db2.gz MIYREUVTAYSNII-JTQLQIEISA-N 1 0 147.221 1.807 50 0 ADAARO CCC1([NH3+])CCCC1 37376642 343166824 /nfs/dbraw/zinc/16/68/24/343166824.db2.gz MBBRMLWCPAHDOI-UHFFFAOYSA-N 1 0 113.204 1.668 50 0 in-vitro ADAARO C[C@@]1([NH3+])CCc2ccccc21 37377154 343166892 /nfs/dbraw/zinc/16/68/92/343166892.db2.gz MIYREUVTAYSNII-SNVBAGLBSA-N 1 0 147.221 1.807 50 0 ADAARO CC[C@](C)([NH3+])C1CC1 37380453 343167214 /nfs/dbraw/zinc/16/72/14/343167214.db2.gz FZUODZMARWYKLI-ZETCQYMHSA-N 1 0 113.204 1.524 50 0 ADAARO CC[C@@](C)([NH3+])C1CC1 37380456 343167330 /nfs/dbraw/zinc/16/73/30/343167330.db2.gz FZUODZMARWYKLI-SSDOTTSWSA-N 1 0 113.204 1.524 50 0 ADAARO Cc1ccc([C@@H]2C[NH2+]CCO2)s1 37405134 343167834 /nfs/dbraw/zinc/16/78/34/343167834.db2.gz IIMNEHHBSPHEGX-QMMMGPOBSA-N 1 0 183.276 1.717 50 0 ADAARO C[C@@]1([NH3+])CCc2ccccc2C1 37460426 343168621 /nfs/dbraw/zinc/16/86/21/343168621.db2.gz ALZSBYWRGWYZLS-LLVKDONJSA-N 1 0 161.248 1.893 50 0 in-vitro ADAARO C[C@]1([NH3+])CCc2ccccc2C1 37460425 343168654 /nfs/dbraw/zinc/16/86/54/343168654.db2.gz ALZSBYWRGWYZLS-NSHDSACASA-N 1 0 161.248 1.893 50 0 in-vitro ADAARO CC[C@@H]([NH2+]C)c1ccncc1 37467603 343169471 /nfs/dbraw/zinc/16/94/71/343169471.db2.gz LOFCJGPTBIGJGR-SECBINFHSA-N 1 0 150.225 1.752 50 0 in-vitro ADAARO CC[C@H]([NH3+])CC(C)C 37466815 343169502 /nfs/dbraw/zinc/16/95/02/343169502.db2.gz TXSYUJZYRYMDQD-ZETCQYMHSA-N 1 0 115.220 1.770 50 0 ADAARO CC[C@H]([NH2+]C)c1ccncc1 37467601 343169570 /nfs/dbraw/zinc/16/95/70/343169570.db2.gz LOFCJGPTBIGJGR-VIFPVBQESA-N 1 0 150.225 1.752 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])c1ccncc1 37466418 343169622 /nfs/dbraw/zinc/16/96/22/343169622.db2.gz CVIUCMADIABJJL-VIFPVBQESA-N 1 0 150.225 1.737 50 0 in-vitro ADAARO CC[C@H]([NH2+]C)C1CC1 37468855 343169901 /nfs/dbraw/zinc/16/99/01/343169901.db2.gz SEIAKPVXZWHHTC-ZETCQYMHSA-N 1 0 113.204 1.394 50 0 ADAARO CC[C@@H]([NH2+]C)C1CC1 37468857 343170125 /nfs/dbraw/zinc/17/01/25/343170125.db2.gz SEIAKPVXZWHHTC-SSDOTTSWSA-N 1 0 113.204 1.394 50 0 ADAARO C[C@H]([NH3+])CC(=O)Nc1ccccc1 37475609 343170407 /nfs/dbraw/zinc/17/04/07/343170407.db2.gz JZZMNRPDRVJKBO-QMMMGPOBSA-N 1 0 178.235 1.362 50 0 ADAARO C[NH2+]CCCC(=O)Nc1ccccc1 37477464 343170929 /nfs/dbraw/zinc/17/09/29/343170929.db2.gz XTGBHRSKLWFVIH-UHFFFAOYSA-N 1 0 192.262 1.625 50 0 in-vitro ADAARO CCC(C)(C)[NH+]1CCNCC1 37483267 343171493 /nfs/dbraw/zinc/17/14/93/343171493.db2.gz YNTQDSJCTVCNPU-UHFFFAOYSA-N 1 0 156.273 1.080 50 0 in-vitro ADAARO CC(C)Cn1cc[nH+]c1N 37483191 343171695 /nfs/dbraw/zinc/17/16/95/343171695.db2.gz SMWNYFLOMAYKKG-UHFFFAOYSA-N 1 0 139.202 1.121 50 0 in-vitro ADAARO Cc1ncc(C[NH2+]C2CC2)s1 37505252 343172055 /nfs/dbraw/zinc/17/20/55/343172055.db2.gz HXCIORKGPOEIBA-UHFFFAOYSA-N 1 0 168.265 1.704 50 0 ADAARO CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O 37490564 343172161 /nfs/dbraw/zinc/17/21/61/343172161.db2.gz OXRXQNDJSYCGOY-AEJSXWLSSA-N 1 0 171.284 1.678 50 0 ADAARO CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O 37490566 343172235 /nfs/dbraw/zinc/17/22/35/343172235.db2.gz OXRXQNDJSYCGOY-GUBZILKMSA-N 1 0 171.284 1.678 50 0 ADAARO CC[C@@H]([NH3+])c1nc(C)c[nH]1 37507219 343172326 /nfs/dbraw/zinc/17/23/26/343172326.db2.gz DLKUIKKXLRKYMM-ZCFIWIBFSA-N 1 0 139.202 1.128 50 0 ADAARO C[C@H]1C[C@@H](C)C[NH2+]1 37624725 343172369 /nfs/dbraw/zinc/17/23/69/343172369.db2.gz DUOJVRWFIHNZTJ-RITPCOANSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO C[C@H]1C[NH2+][C@H](C)C1 37624727 343172470 /nfs/dbraw/zinc/17/24/70/343172470.db2.gz DUOJVRWFIHNZTJ-PHDIDXHHSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO CC[C@H]([NH3+])c1nc(C)c[nH]1 37507218 343172562 /nfs/dbraw/zinc/17/25/62/343172562.db2.gz DLKUIKKXLRKYMM-LURJTMIESA-N 1 0 139.202 1.128 50 0 ADAARO CN1C[C@@H]([NH3+])[C@H](c2ccccc2)C1 37647414 343172799 /nfs/dbraw/zinc/17/27/99/343172799.db2.gz MDGLWUXAHGNWDO-WDEREUQCSA-N 1 0 176.263 1.043 50 0 in-vitro ADAARO Cc1cccc(NC2CC[NH2+]CC2)n1 37670835 343173685 /nfs/dbraw/zinc/17/36/85/343173685.db2.gz ZFGJDAZNNXTNTD-UHFFFAOYSA-N 1 0 191.278 1.554 50 0 in-vitro ADAARO Cc1cnn(-c2cc[nH+]cc2N)c1 37676765 343173782 /nfs/dbraw/zinc/17/37/82/343173782.db2.gz PKPPDVWBOZAEBR-UHFFFAOYSA-N 1 0 174.207 1.158 50 0 in-vitro ADAARO Cc1cnn(-c2cc[nH+]cc2)c1 37676759 343173799 /nfs/dbraw/zinc/17/37/99/343173799.db2.gz HLTXSPXIYDZZRI-UHFFFAOYSA-N 1 0 159.192 1.576 50 0 in-vitro ADAARO CC(C)SCCCC[NH3+] 37687409 343174107 /nfs/dbraw/zinc/17/41/07/343174107.db2.gz HBZSFFBHWGSZGE-UHFFFAOYSA-N 1 0 147.287 1.867 50 0 ADAARO CC[C@@H]([NH3+])C(=O)OC(C)(C)C 37729932 343176803 /nfs/dbraw/zinc/17/68/03/343176803.db2.gz UZHNWSLHLJLEAZ-ZCFIWIBFSA-N 1 0 159.229 1.065 50 0 in-vitro ADAARO Cc1cc(C(N)=[NH2+])ccc1N(C)C 37734253 343177220 /nfs/dbraw/zinc/17/72/20/343177220.db2.gz QWSLHRZUAYMNGL-UHFFFAOYSA-N 1 0 177.251 1.345 50 0 ADAARO Cc1cc(C[NH3+])ccc1O 37733391 343177376 /nfs/dbraw/zinc/17/73/76/343177376.db2.gz HGJNTTHIDLWEAC-UHFFFAOYSA-N 1 0 137.182 1.159 50 0 ADAARO [NH3+]C[C@H]1CCCCN1CC(F)F 37756103 343178054 /nfs/dbraw/zinc/17/80/54/343178054.db2.gz CRLGUINHMKTXIG-SSDOTTSWSA-N 1 0 178.226 1.065 50 0 ADAARO CCc1ncc(C[NH3+])s1 37923633 343181633 /nfs/dbraw/zinc/18/16/33/343181633.db2.gz VVGHFFICVOVLNB-UHFFFAOYSA-N 1 0 142.227 1.164 50 0 in-vitro ADAARO CCC(CC)[C@H](C)[NH3+] 38004341 343183548 /nfs/dbraw/zinc/18/35/48/343183548.db2.gz AFEDQQKVLBHDNO-LURJTMIESA-N 1 0 115.220 1.770 50 0 ADAARO Cc1cccc2oc(CC[NH3+])nc12 38052806 343184028 /nfs/dbraw/zinc/18/40/28/343184028.db2.gz VHLCXILUKGEELI-UHFFFAOYSA-N 1 0 176.219 1.637 50 0 ADAARO C[NH2+]C1(CO)CCCCCC1 38121064 343184975 /nfs/dbraw/zinc/18/49/75/343184975.db2.gz ZQSIOBHTLMHAPU-UHFFFAOYSA-N 1 0 157.257 1.291 50 0 ADAARO CC[C@H](C)[NH2+][C@@H](CO)CC(C)C 38116559 343184999 /nfs/dbraw/zinc/18/49/99/343184999.db2.gz VHZBXALGCQOWOR-VHSXEESVSA-N 1 0 173.300 1.782 50 0 ADAARO C[C@H]1CC(C)(C)C[C@]([NH3+])(CO)C1 38124609 343185187 /nfs/dbraw/zinc/18/51/87/343185187.db2.gz PYPLUNYMZUDMPI-WPRPVWTQSA-N 1 0 171.284 1.522 50 0 in-vitro ADAARO CC[C@@]([NH3+])(CO)c1ccccc1 38124565 343185225 /nfs/dbraw/zinc/18/52/25/343185225.db2.gz UTUOJASDCBCXIL-SNVBAGLBSA-N 1 0 165.236 1.243 50 0 in-vitro ADAARO C[NH2+]C1(CO)CCCCCCC1 38121142 343185230 /nfs/dbraw/zinc/18/52/30/343185230.db2.gz IUMUIDWCFWVQAS-UHFFFAOYSA-N 1 0 171.284 1.681 50 0 ADAARO CC[C@]([NH3+])(CO)c1ccccc1 38124566 343185284 /nfs/dbraw/zinc/18/52/84/343185284.db2.gz UTUOJASDCBCXIL-JTQLQIEISA-N 1 0 165.236 1.243 50 0 in-vitro ADAARO C[C@]([NH3+])(CO)c1ccccc1Cl 38124525 343185352 /nfs/dbraw/zinc/18/53/52/343185352.db2.gz AUPNMQMJANYYOM-VIFPVBQESA-N 1 0 185.654 1.506 50 0 ADAARO CC(C)[C@H](CN)[NH+]1CCCCCC1 38338697 343187250 /nfs/dbraw/zinc/18/72/50/343187250.db2.gz VCIIWOCBZLOOOM-NSHDSACASA-N 1 0 184.327 1.846 50 0 ADAARO CCC(CC)[C@H](CN)[NH+]1CCCC1 38338694 343187308 /nfs/dbraw/zinc/18/73/08/343187308.db2.gz JCIYYWWMJRUVEI-NSHDSACASA-N 1 0 184.327 1.846 50 0 ADAARO Cc1ccc(C[NH3+])c(N2CCCC2)n1 38343274 343187318 /nfs/dbraw/zinc/18/73/18/343187318.db2.gz VBRRXVUQKDPNEP-UHFFFAOYSA-N 1 0 191.278 1.449 50 0 in-vitro ADAARO CCC(CC)[C@@H](CN)[NH+]1CCCC1 38338692 343187370 /nfs/dbraw/zinc/18/73/70/343187370.db2.gz JCIYYWWMJRUVEI-LLVKDONJSA-N 1 0 184.327 1.846 50 0 ADAARO C[C@H]1CCC[N@@H+]([C@@H](C)CN)C1 38340206 343187418 /nfs/dbraw/zinc/18/74/18/343187418.db2.gz UZMIFBCNBIXTAN-IUCAKERBSA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO C[N@H+](CCN)C1CCCCC1 38340220 343187459 /nfs/dbraw/zinc/18/74/59/343187459.db2.gz FNZNHTIBNDAHFH-UHFFFAOYSA-N 1 0 156.273 1.210 50 0 in-vitro ADAARO Cc1cccc(CN2CC[C@@H]([NH3+])C2)c1 38538815 343188854 /nfs/dbraw/zinc/18/88/54/343188854.db2.gz BEHYEDRAAKQLCM-GFCCVEGCSA-N 1 0 190.290 1.528 50 0 ADAARO Cc1cccc(CN2CC[C@H]([NH3+])C2)c1 38538819 343188903 /nfs/dbraw/zinc/18/89/03/343188903.db2.gz BEHYEDRAAKQLCM-LBPRGKRZSA-N 1 0 190.290 1.528 50 0 ADAARO C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 38526292 343188912 /nfs/dbraw/zinc/18/89/12/343188912.db2.gz SSWHTEXLCLEUBQ-LBPRGKRZSA-N 1 0 191.274 1.643 50 0 in-vitro ADAARO C[C@@]1([NH3+])CCN(Cc2ccccc2)C1 38531692 343188948 /nfs/dbraw/zinc/18/89/48/343188948.db2.gz GMZNKWUBDUKXRX-GFCCVEGCSA-N 1 0 190.290 1.610 50 0 in-vitro ADAARO C[C@]1([NH3+])CCN(Cc2ccccc2)C1 38531691 343189072 /nfs/dbraw/zinc/18/90/72/343189072.db2.gz GMZNKWUBDUKXRX-LBPRGKRZSA-N 1 0 190.290 1.610 50 0 in-vitro ADAARO C[C@H]1CN[C@@H](c2ccccc2)C[NH2+]1 38545445 343189224 /nfs/dbraw/zinc/18/92/24/343189224.db2.gz GBEIREVJIUGSDR-GXSJLCMTSA-N 1 0 176.263 1.309 50 0 ADAARO CC(C)c1ncc2c(n1)CC[NH2+]C2 38579739 343189285 /nfs/dbraw/zinc/18/92/85/343189285.db2.gz CJKMUTXSZGDRJB-UHFFFAOYSA-N 1 0 177.251 1.246 50 0 in-vitro ADAARO Cc1cc(Cl)ccc1OC1C[NH2+]C1 38580783 343189330 /nfs/dbraw/zinc/18/93/30/343189330.db2.gz ZHFGZSABPZSDQP-UHFFFAOYSA-N 1 0 197.665 1.999 50 0 ADAARO Cc1ccc(OC2C[NH2+]C2)cc1 38580694 343189378 /nfs/dbraw/zinc/18/93/78/343189378.db2.gz IKXZLYWIOATIPO-UHFFFAOYSA-N 1 0 163.220 1.346 50 0 in-vitro ADAARO Cc1cccc2c[nH+]cn12 38540346 343189404 /nfs/dbraw/zinc/18/94/04/343189404.db2.gz AMTVPXODMPYFPU-UHFFFAOYSA-N 1 0 132.166 1.643 50 0 in-vitro ADAARO C[C@H](C[NH3+])C(F)(F)F 38582207 343189433 /nfs/dbraw/zinc/18/94/33/343189433.db2.gz RGXWOVRGNDFFDI-GSVOUGTGSA-N 1 0 127.109 1.144 50 0 in-vitro ADAARO C[C@H]1CN[C@H](c2ccccc2)C[NH2+]1 38545443 343189460 /nfs/dbraw/zinc/18/94/60/343189460.db2.gz GBEIREVJIUGSDR-ONGXEEELSA-N 1 0 176.263 1.309 50 0 ADAARO CC1(C)CC(C[NH3+])C1 38540899 343189495 /nfs/dbraw/zinc/18/94/95/343189495.db2.gz OHSARIBAZSSJMI-UHFFFAOYSA-N 1 0 113.204 1.381 50 0 in-vitro ADAARO Cc1ccc(OC2C[NH2+]C2)c(C)c1 38580777 343189520 /nfs/dbraw/zinc/18/95/20/343189520.db2.gz ZMNUOQXUCNXUSA-UHFFFAOYSA-N 1 0 177.247 1.654 50 0 ADAARO Cc1ccc(CNCC[NH3+])cc1 38595036 343189666 /nfs/dbraw/zinc/18/96/66/343189666.db2.gz FAMIROKBNMLFLB-UHFFFAOYSA-N 1 0 164.252 1.043 50 0 in-vitro ADAARO CC1CC[NH+]([C@H](C)CN)CC1 38785095 343190468 /nfs/dbraw/zinc/19/04/68/343190468.db2.gz QTSXXNDKPSOUPU-SECBINFHSA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO C[C@H]1C[NH2+][C@@H](c2cccnc2)C1 38805425 343190603 /nfs/dbraw/zinc/19/06/03/343190603.db2.gz HVCJQAVVLXCYDG-PSASIEDQSA-N 1 0 162.236 1.752 50 0 in-vitro ADAARO C[C@H]1C[NH2+][C@H](c2cccnc2)C1 38805431 343190624 /nfs/dbraw/zinc/19/06/24/343190624.db2.gz HVCJQAVVLXCYDG-SCZZXKLOSA-N 1 0 162.236 1.752 50 0 in-vitro ADAARO CC(C)N(CC[NH3+])Cc1ccccc1 38916556 343192371 /nfs/dbraw/zinc/19/23/71/343192371.db2.gz JHXBPQUKAFQZCE-UHFFFAOYSA-N 1 0 192.306 1.856 50 0 ADAARO C[NH+](C)CC1(CO)CCCC1 38995712 343192504 /nfs/dbraw/zinc/19/25/04/343192504.db2.gz PXIJMHXFEJNFJL-UHFFFAOYSA-N 1 0 157.257 1.101 50 0 ADAARO CCCCCC[NH2+]CCN 38960067 343192591 /nfs/dbraw/zinc/19/25/91/343192591.db2.gz ADKFRZBUXRKWDL-UHFFFAOYSA-N 1 0 144.262 1.115 50 0 in-vitro ADAARO Cc1ccc(C(C)(C)[NH3+])cn1 39050200 343193571 /nfs/dbraw/zinc/19/35/71/343193571.db2.gz RRVSOVWKKOBBCW-UHFFFAOYSA-N 1 0 150.225 1.584 50 0 in-vitro ADAARO Cc1cccc(N(C)C)n1 39050913 343193582 /nfs/dbraw/zinc/19/35/82/343193582.db2.gz LWDJPFRKGZMBGC-UHFFFAOYSA-N 1 0 136.198 1.456 50 0 ADAARO CC(C)c1ccc(N)nc1 39050142 343193587 /nfs/dbraw/zinc/19/35/87/343193587.db2.gz GXSWKKZGLOYAPE-UHFFFAOYSA-N 1 0 136.198 1.787 50 0 in-vitro ADAARO Cc1cc(C[NH3+])cc(C)n1 39050607 343193627 /nfs/dbraw/zinc/19/36/27/343193627.db2.gz UEUBEPHODYIOJJ-UHFFFAOYSA-N 1 0 136.198 1.157 50 0 in-vitro ADAARO Cc1ccc(C[NH3+])c(C)n1 39050082 343193723 /nfs/dbraw/zinc/19/37/23/343193723.db2.gz ORQSZTXFIAHDNU-UHFFFAOYSA-N 1 0 136.198 1.157 50 0 in-vitro ADAARO CC(C)c1cc(N)cc[nH+]1 39050576 343193763 /nfs/dbraw/zinc/19/37/63/343193763.db2.gz DMMLYMQQBZGHLO-UHFFFAOYSA-N 1 0 136.198 1.787 50 0 ADAARO Cc1cc([C@H](C)[NH3+])ccn1 39051828 343194060 /nfs/dbraw/zinc/19/40/60/343194060.db2.gz WALYOUZSNROLAP-ZETCQYMHSA-N 1 0 136.198 1.410 50 0 ADAARO Cc1cc([C@@H](C)[NH3+])ccn1 39051827 343194106 /nfs/dbraw/zinc/19/41/06/343194106.db2.gz WALYOUZSNROLAP-SSDOTTSWSA-N 1 0 136.198 1.410 50 0 ADAARO C[C@H]([NH3+])c1ccn(C)c1 39073744 343196277 /nfs/dbraw/zinc/19/62/77/343196277.db2.gz LOCUKVKZMLTDJC-LURJTMIESA-N 1 0 124.187 1.045 50 0 ADAARO CCCCN(C)[C@H]1CC[NH2+]C1 39080870 343196828 /nfs/dbraw/zinc/19/68/28/343196828.db2.gz HWZISFSBKBFNCF-VIFPVBQESA-N 1 0 156.273 1.080 50 0 ADAARO CCCCN(C)[C@@H]1CC[NH2+]C1 39080867 343196867 /nfs/dbraw/zinc/19/68/67/343196867.db2.gz HWZISFSBKBFNCF-SECBINFHSA-N 1 0 156.273 1.080 50 0 ADAARO C[NH2+]C1CCC(F)(F)CC1 39088356 343197637 /nfs/dbraw/zinc/19/76/37/343197637.db2.gz OSANBTAPUQLBDN-UHFFFAOYSA-N 1 0 149.184 1.784 50 0 in-vitro ADAARO Cc1cc(C[NH3+])c(F)cc1F 39088715 343197770 /nfs/dbraw/zinc/19/77/70/343197770.db2.gz XVKZEHJSKRYMQI-UHFFFAOYSA-N 1 0 157.163 1.732 50 0 ADAARO Cc1ccc(F)cc1CC[NH3+] 39088527 343197787 /nfs/dbraw/zinc/19/77/87/343197787.db2.gz CSTDUATZBXHONB-UHFFFAOYSA-N 1 0 153.200 1.635 50 0 ADAARO C[C@H](C[NH3+])CNC(=O)OC(C)(C)C 39091086 343198120 /nfs/dbraw/zinc/19/81/20/343198120.db2.gz ORDMEFMUSKDHOL-SSDOTTSWSA-N 1 0 188.271 1.106 50 0 in-vitro ADAARO C[NH2+]CCOc1cc(F)cc(F)c1 39090267 343198174 /nfs/dbraw/zinc/19/81/74/343198174.db2.gz DTGDWNSQLOQDIQ-UHFFFAOYSA-N 1 0 187.189 1.563 50 0 ADAARO CC[C@H]([NH3+])C(=O)OC1CCCCC1 39090167 343198223 /nfs/dbraw/zinc/19/82/23/343198223.db2.gz RLCWNMXJPIYPAF-VIFPVBQESA-N 1 0 185.267 1.600 50 0 in-vitro ADAARO CC1=C[C@H]([NH3+])CCC1 39118444 343201810 /nfs/dbraw/zinc/20/18/10/343201810.db2.gz UIHZMDTUMKZMNZ-SSDOTTSWSA-N 1 0 111.188 1.444 50 0 ADAARO Cc1[nH+]ccc(N)c1F 39116676 343201862 /nfs/dbraw/zinc/20/18/62/343201862.db2.gz AMEVGKIMLLNYRW-UHFFFAOYSA-N 1 0 126.134 1.111 50 0 ADAARO CC1=C[C@@H]([NH3+])CCC1 39118446 343202268 /nfs/dbraw/zinc/20/22/68/343202268.db2.gz UIHZMDTUMKZMNZ-ZETCQYMHSA-N 1 0 111.188 1.444 50 0 ADAARO C[C@]1([NH3+])CC=CCC1 39118461 343202307 /nfs/dbraw/zinc/20/23/07/343202307.db2.gz NVKYTEFUHURNDB-ZETCQYMHSA-N 1 0 111.188 1.444 50 0 ADAARO CC[C@@H]1CCCC[N@@H+]1CCN 39134159 343203205 /nfs/dbraw/zinc/20/32/05/343203205.db2.gz AKORAGHXVCPPSO-SECBINFHSA-N 1 0 156.273 1.210 50 0 in-vitro ADAARO CC[C@H]1CCCC[N@@H+]1CCN 39134161 343203449 /nfs/dbraw/zinc/20/34/49/343203449.db2.gz AKORAGHXVCPPSO-VIFPVBQESA-N 1 0 156.273 1.210 50 0 in-vitro ADAARO CCc1nc([C@@H](C)[NH3+])cs1 39134496 343203719 /nfs/dbraw/zinc/20/37/19/343203719.db2.gz BDXVMDPFRXPRNX-RXMQYKEDSA-N 1 0 156.254 1.725 50 0 in-vitro ADAARO Cc1ncsc1C[NH+](C)C 39134810 343203762 /nfs/dbraw/zinc/20/37/62/343203762.db2.gz LATXFKMLKZRTGN-UHFFFAOYSA-N 1 0 156.254 1.513 50 0 ADAARO CCc1nc([C@H](C)[NH3+])cs1 39134497 343203777 /nfs/dbraw/zinc/20/37/77/343203777.db2.gz BDXVMDPFRXPRNX-YFKPBYRVSA-N 1 0 156.254 1.725 50 0 in-vitro ADAARO C[C@H]1CCCN(C[C@@H]2CCC[NH2+]2)C1 39141030 343204786 /nfs/dbraw/zinc/20/47/86/343204786.db2.gz COQYUGZWIWLLRG-QWRGUYRKSA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO CCCN(CCC)C[C@@H]1CCC[NH2+]1 39141040 343204827 /nfs/dbraw/zinc/20/48/27/343204827.db2.gz PWXONSQOSLTEJI-NSHDSACASA-N 1 0 184.327 1.860 50 0 ADAARO C[C@H]1CCCCN1C[C@@H]1CCC[NH2+]1 39141023 343204992 /nfs/dbraw/zinc/20/49/92/343204992.db2.gz PTXZNJRXJUNLBS-QWRGUYRKSA-N 1 0 182.311 1.613 50 0 in-vitro ADAARO CCc1cc(N)c2cc(N)ccc2[nH+]1 39168730 343205084 /nfs/dbraw/zinc/20/50/84/343205084.db2.gz AISUEAAFEZCUCS-UHFFFAOYSA-N 1 0 187.246 1.962 50 0 in-vitro ADAARO C[C@H](N)C[NH+]1CCCCCC1 39170054 343205290 /nfs/dbraw/zinc/20/52/90/343205290.db2.gz OBBYUKKVCZUXOY-VIFPVBQESA-N 1 0 156.273 1.210 50 0 in-vitro ADAARO C[C@H]1C[N@H+](Cc2ccccc2)CCO1 39203212 343205732 /nfs/dbraw/zinc/20/57/32/343205732.db2.gz IZIHKVIKLYFELH-NSHDSACASA-N 1 0 191.274 1.907 50 0 ADAARO C[NH+](C)[C@@H]1CCCC(=O)C1 39193728 343205838 /nfs/dbraw/zinc/20/58/38/343205838.db2.gz CRDLYEPKOVZEJC-SSDOTTSWSA-N 1 0 141.214 1.060 50 0 in-vitro ADAARO CC1(C)CC(CO)CC(C)(C)[NH2+]1 39203140 343205871 /nfs/dbraw/zinc/20/58/71/343205871.db2.gz IKIYGHCNILACLL-UHFFFAOYSA-N 1 0 171.284 1.536 50 0 ADAARO C[NH+](C)[C@H]1CCCC(=O)C1 39193729 343205981 /nfs/dbraw/zinc/20/59/81/343205981.db2.gz CRDLYEPKOVZEJC-ZETCQYMHSA-N 1 0 141.214 1.060 50 0 in-vitro ADAARO Cc1cc[nH+]c2c1CCN2 39220533 343206621 /nfs/dbraw/zinc/20/66/21/343206621.db2.gz JAYGFQIWHJRWIA-UHFFFAOYSA-N 1 0 134.182 1.358 50 0 ADAARO C[NH+](C)CCCC(C)(C)O 39244034 343207720 /nfs/dbraw/zinc/20/77/20/343207720.db2.gz JAQNKHZRFYKAPJ-UHFFFAOYSA-N 1 0 145.246 1.099 50 0 ADAARO C[C@@H](C1=CC=CC1)[NH+](C)C 39247274 343208010 /nfs/dbraw/zinc/20/80/10/343208010.db2.gz RZRJXBMDSQLCHX-QMMMGPOBSA-N 1 0 137.226 1.823 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cccc(F)c1F 39952079 343214426 /nfs/dbraw/zinc/21/44/26/343214426.db2.gz KETZXWRRCDXDFT-YFKPBYRVSA-N 1 0 157.163 1.985 50 0 in-vitro ADAARO Cc1c(Cl)n[nH+]c(NN)c1C 39258887 343208700 /nfs/dbraw/zinc/20/87/00/343208700.db2.gz BTWQGBKWNXRDFA-UHFFFAOYSA-N 1 0 172.619 1.032 50 0 in-vitro ADAARO CC[C@H]1CC[NH2+]C1 39258933 343208816 /nfs/dbraw/zinc/20/88/16/343208816.db2.gz DZFFQSFNUBWNSF-LURJTMIESA-N 1 0 99.177 1.006 50 0 in-vitro ADAARO C[C@H](C(N)=[NH2+])c1ccccc1 39269050 343208986 /nfs/dbraw/zinc/20/89/86/343208986.db2.gz UDOPXHYKWNZDML-ZETCQYMHSA-N 1 0 148.209 1.726 50 0 ADAARO CC[C@@]1(C)CC[NH2+]C1 39269248 343209402 /nfs/dbraw/zinc/20/94/02/343209402.db2.gz DWEXCXIEVRCDTE-ZETCQYMHSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO O[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1 39286590 343209873 /nfs/dbraw/zinc/20/98/73/343209873.db2.gz WXFDBSRUWZLOJR-GHMZBOCLSA-N 1 0 177.247 1.124 50 0 ADAARO O[C@H]1CC[NH2+]C[C@@H]1c1ccccc1 39286588 343209877 /nfs/dbraw/zinc/20/98/77/343209877.db2.gz WXFDBSRUWZLOJR-MNOVXSKESA-N 1 0 177.247 1.124 50 0 ADAARO O[C@@H]1CC[NH2+]C[C@H]1c1ccccc1 39286589 343210119 /nfs/dbraw/zinc/21/01/19/343210119.db2.gz WXFDBSRUWZLOJR-WDEREUQCSA-N 1 0 177.247 1.124 50 0 ADAARO O[C@H]1CC[NH2+]C[C@H]1c1ccccc1 39286587 343210191 /nfs/dbraw/zinc/21/01/91/343210191.db2.gz WXFDBSRUWZLOJR-QWRGUYRKSA-N 1 0 177.247 1.124 50 0 ADAARO Cc1cccc([C@H]2C[NH2+]CCN2)c1 39363562 343211050 /nfs/dbraw/zinc/21/10/50/343211050.db2.gz HGRYPWVHQPPINF-LLVKDONJSA-N 1 0 176.263 1.229 50 0 ADAARO Cc1cccc([C@@H]2C[NH2+]CCN2)c1 39363561 343211119 /nfs/dbraw/zinc/21/11/19/343211119.db2.gz HGRYPWVHQPPINF-NSHDSACASA-N 1 0 176.263 1.229 50 0 ADAARO CC(C)[C@@H]1CC[NH2+]C1 39393773 343211775 /nfs/dbraw/zinc/21/17/75/343211775.db2.gz QFHZPMOJWIBZCS-SSDOTTSWSA-N 1 0 113.204 1.252 50 0 in-vitro ADAARO CC(C)[C@H]1CC[NH2+]C1 39393774 343211871 /nfs/dbraw/zinc/21/18/71/343211871.db2.gz QFHZPMOJWIBZCS-ZETCQYMHSA-N 1 0 113.204 1.252 50 0 in-vitro ADAARO CC[C@H]1C[NH2+]C[C@@H](CC)O1 39411048 343212103 /nfs/dbraw/zinc/21/21/03/343212103.db2.gz LPNZFNBNRWCBKA-OCAPTIKFSA-N 1 0 143.230 1.163 50 0 ADAARO CC[C@@H]1C[NH2+]C[C@@H](CC)O1 39411049 343212164 /nfs/dbraw/zinc/21/21/64/343212164.db2.gz LPNZFNBNRWCBKA-HTQZYQBOSA-N 1 0 143.230 1.163 50 0 ADAARO Cc1[nH]c2c([nH+]1)CCCC2 39434711 343212580 /nfs/dbraw/zinc/21/25/80/343212580.db2.gz XMLUAPAWXDNVTM-UHFFFAOYSA-N 1 0 136.198 1.597 50 0 ADAARO CC(C)[C@@H]1CCC[C@@H]1[NH3+] 39434540 343212674 /nfs/dbraw/zinc/21/26/74/343212674.db2.gz LSHKOEGVVYRQIF-YUMQZZPRSA-N 1 0 127.231 1.770 50 0 ADAARO CC(C)[C@@H]1CCC[C@H]1[NH3+] 39434542 343212744 /nfs/dbraw/zinc/21/27/44/343212744.db2.gz LSHKOEGVVYRQIF-JGVFFNPUSA-N 1 0 127.231 1.770 50 0 ADAARO CC(C)[C@H](CO)[NH2+]Cc1ccccc1 39643099 343213642 /nfs/dbraw/zinc/21/36/42/343213642.db2.gz HQUYDMGPGDLNJM-LBPRGKRZSA-N 1 0 193.290 1.793 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H](C)Oc1ccccc1 39643014 343213702 /nfs/dbraw/zinc/21/37/02/343213702.db2.gz ZJZBQXXUDKGJOZ-DTWKUNHWSA-N 1 0 165.236 1.801 50 0 in-vitro ADAARO CC[C@H](C)[NH2+]CCNC1CC1 39712261 343213867 /nfs/dbraw/zinc/21/38/67/343213867.db2.gz JOSKEAMXOFDCMN-QMMMGPOBSA-N 1 0 156.273 1.127 50 0 ADAARO CCc1ccc([C@H]2C[NH2+]CCN2)cc1 39934041 343213934 /nfs/dbraw/zinc/21/39/34/343213934.db2.gz XXPMLIBLWBCOEI-GFCCVEGCSA-N 1 0 190.290 1.483 50 0 in-vitro ADAARO CC[C@H](C)[NH2+]CCNC(C)C 39712265 343214004 /nfs/dbraw/zinc/21/40/04/343214004.db2.gz VELKVXYYFGKWRG-VIFPVBQESA-N 1 0 158.289 1.373 50 0 ADAARO CNCC[NH2+]C1CCCCC1 39712242 343214016 /nfs/dbraw/zinc/21/40/16/343214016.db2.gz IWUHWRSKHTWKHZ-UHFFFAOYSA-N 1 0 156.273 1.128 50 0 ADAARO CN(C)C[C@@H]1CCCCC[NH2+]1 39706303 343214060 /nfs/dbraw/zinc/21/40/60/343214060.db2.gz SXPLKYJNIUXKEX-VIFPVBQESA-N 1 0 156.273 1.080 50 0 ADAARO CCCC[NH2+]CCNC1CC1 39712805 343214150 /nfs/dbraw/zinc/21/41/50/343214150.db2.gz XBRFPLKTKVWZJH-UHFFFAOYSA-N 1 0 156.273 1.128 50 0 ADAARO CN(C)C[C@H]1CCCCC[NH2+]1 39706304 343214201 /nfs/dbraw/zinc/21/42/01/343214201.db2.gz SXPLKYJNIUXKEX-SECBINFHSA-N 1 0 156.273 1.080 50 0 ADAARO CC(C)[C@H]1C[N@@H+]2CCC[C@H]2CN1 39957298 343214330 /nfs/dbraw/zinc/21/43/30/343214330.db2.gz YPMDREPFLIKFTB-VHSXEESVSA-N 1 0 168.284 1.079 50 0 ADAARO CC[C@H]([NH3+])CNC(=O)OC(C)(C)C 39952149 343214416 /nfs/dbraw/zinc/21/44/16/343214416.db2.gz RRCIEECLAFGKTM-ZETCQYMHSA-N 1 0 188.271 1.248 50 0 in-vitro ADAARO CCc1nnc([C@H]2CCC[NH2+]C2)o1 39956203 343214441 /nfs/dbraw/zinc/21/44/41/343214441.db2.gz ADZOXJGSGZLPCJ-ZETCQYMHSA-N 1 0 181.239 1.099 50 0 ADAARO CCc1nnc([C@@H]2CCC[NH2+]C2)o1 39956201 343214493 /nfs/dbraw/zinc/21/44/93/343214493.db2.gz ADZOXJGSGZLPCJ-SSDOTTSWSA-N 1 0 181.239 1.099 50 0 ADAARO CCc1nccc([C@H]2CCC[NH2+]C2)n1 39947130 343214537 /nfs/dbraw/zinc/21/45/37/343214537.db2.gz CRUMXMILFJPYPX-VIFPVBQESA-N 1 0 191.278 1.506 50 0 in-vitro ADAARO C[C@H]([NH3+])CCNC(=O)OC(C)(C)C 39952151 343214569 /nfs/dbraw/zinc/21/45/69/343214569.db2.gz MSCLVLGMLLYXFV-ZETCQYMHSA-N 1 0 188.271 1.248 50 0 in-vitro ADAARO CNC(=O)C1CC[NH+](CC(C)C)CC1 40024330 343214906 /nfs/dbraw/zinc/21/49/06/343214906.db2.gz QLOOKQRYBYEDAQ-UHFFFAOYSA-N 1 0 198.310 1.100 50 0 ADAARO C[C@H]1CCCC[N@@H+]1CC(C)(C)N 39958223 343214997 /nfs/dbraw/zinc/21/49/97/343214997.db2.gz FRAJFMOTJCQVOA-VIFPVBQESA-N 1 0 170.300 1.598 50 0 in-vitro ADAARO C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)C2)C(=O)O1 40023627 343215026 /nfs/dbraw/zinc/21/50/26/343215026.db2.gz QJXFTROFYOAUJY-KXUCPTDWSA-N 1 0 197.278 1.422 50 0 ADAARO C[NH+](C)CCSc1nncs1 40159250 343215406 /nfs/dbraw/zinc/21/54/06/343215406.db2.gz CMYXWBNZENZGAK-UHFFFAOYSA-N 1 0 189.309 1.192 50 0 ADAARO C[C@H](c1ccccc1)[C@@H]([NH3+])CN 40240815 343216109 /nfs/dbraw/zinc/21/61/09/343216109.db2.gz FXLVGPWSHAUWFU-SCZZXKLOSA-N 1 0 164.252 1.076 50 0 ADAARO C[C@H](c1ccccc1)[C@H]([NH3+])CN 40240813 343216166 /nfs/dbraw/zinc/21/61/66/343216166.db2.gz FXLVGPWSHAUWFU-PSASIEDQSA-N 1 0 164.252 1.076 50 0 ADAARO CC[C@H]([NH3+])CNc1ccccc1 40397882 343217490 /nfs/dbraw/zinc/21/74/90/343217490.db2.gz SCYNFWCYOVOCTN-VIFPVBQESA-N 1 0 164.252 1.836 50 0 ADAARO Cc1ccnc(O[C@@H]2CCC[NH2+]C2)c1 40434990 343217813 /nfs/dbraw/zinc/21/78/13/343217813.db2.gz OLFGFMXMTQIZEV-SNVBAGLBSA-N 1 0 192.262 1.521 50 0 ADAARO Cc1ccc(OC2CC[NH2+]CC2)nc1 40434902 343217827 /nfs/dbraw/zinc/21/78/27/343217827.db2.gz BJENRWCLFUGEIF-UHFFFAOYSA-N 1 0 192.262 1.521 50 0 ADAARO Cc1ccnc(O[C@H]2CCC[NH2+]C2)c1 40434991 343217914 /nfs/dbraw/zinc/21/79/14/343217914.db2.gz OLFGFMXMTQIZEV-JTQLQIEISA-N 1 0 192.262 1.521 50 0 ADAARO Cc1ccc(O[C@@H]2CCC[NH2+]C2)nc1 40434905 343217944 /nfs/dbraw/zinc/21/79/44/343217944.db2.gz DOTHTPFLPLKAQF-SNVBAGLBSA-N 1 0 192.262 1.521 50 0 ADAARO Cc1cc(C[NH3+])ccc1N 40410133 343218005 /nfs/dbraw/zinc/21/80/05/343218005.db2.gz KECXPMLVCMSECK-UHFFFAOYSA-N 1 0 136.198 1.036 50 0 ADAARO C[C@H]([NH3+])Cc1cccc2c1CCO2 40435037 343218051 /nfs/dbraw/zinc/21/80/51/343218051.db2.gz LTXYRVJSOQKJAH-QMMMGPOBSA-N 1 0 177.247 1.511 50 0 in-vitro ADAARO Cc1ccnc(OC2CC[NH2+]CC2)c1 40434989 343218072 /nfs/dbraw/zinc/21/80/72/343218072.db2.gz AULZLBAUAQRVEP-UHFFFAOYSA-N 1 0 192.262 1.521 50 0 in-vitro ADAARO C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 40448032 343218380 /nfs/dbraw/zinc/21/83/80/343218380.db2.gz VORMBALJARSMHR-MRVPVSSYSA-N 1 0 185.267 1.280 50 0 in-vitro ADAARO C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 40448033 343218450 /nfs/dbraw/zinc/21/84/50/343218450.db2.gz VORMBALJARSMHR-QMMMGPOBSA-N 1 0 185.267 1.280 50 0 in-vitro ADAARO Cc1ncc2c(n1)CCC[C@@H]2[NH3+] 40449128 343218648 /nfs/dbraw/zinc/21/86/48/343218648.db2.gz PMXMWNSGCDPEFP-QMMMGPOBSA-N 1 0 163.224 1.121 50 0 ADAARO Cc1nn(-c2ccccc2)cc1C[NH3+] 40449512 343218802 /nfs/dbraw/zinc/21/88/02/343218802.db2.gz HEJRZYXYMWIXCR-UHFFFAOYSA-N 1 0 187.246 1.639 50 0 in-vitro ADAARO CCc1ccccc1CC[NH3+] 40448995 343218850 /nfs/dbraw/zinc/21/88/50/343218850.db2.gz CZQAFKJPZDKNIT-UHFFFAOYSA-N 1 0 149.237 1.750 50 0 ADAARO Cc1ncc2c(n1)CCC[C@H]2[NH3+] 40449129 343218941 /nfs/dbraw/zinc/21/89/41/343218941.db2.gz PMXMWNSGCDPEFP-MRVPVSSYSA-N 1 0 163.224 1.121 50 0 ADAARO Cc1nn(CCC[NH3+])c(C)c1C 40457300 343219045 /nfs/dbraw/zinc/21/90/45/343219045.db2.gz YRUTVJNXEQREHB-UHFFFAOYSA-N 1 0 167.256 1.157 50 0 in-vitro ADAARO C[C@H](O)C[NH2+]CC(C)(C)C 40493470 343219335 /nfs/dbraw/zinc/21/93/35/343219335.db2.gz QDLVIRCXZMYKKB-ZETCQYMHSA-N 1 0 145.246 1.003 50 0 ADAARO CCC[NH2+]Cc1ccccc1N 40638415 343220662 /nfs/dbraw/zinc/22/06/62/343220662.db2.gz NLQFEMTXEFGYKY-UHFFFAOYSA-N 1 0 164.252 1.768 50 0 ADAARO CCC[NH2+]CCN1CCCCCC1 40767502 343223160 /nfs/dbraw/zinc/22/31/60/343223160.db2.gz KETFYLWVTPAULD-UHFFFAOYSA-N 1 0 184.327 1.862 50 0 in-vitro ADAARO C[C@H]1CCCCN1C(=O)C(C)(C)[NH3+] 40912416 343224223 /nfs/dbraw/zinc/22/42/23/343224223.db2.gz ZUUKZCVAZHNSOS-QMMMGPOBSA-N 1 0 184.283 1.125 50 0 ADAARO CC(C)Cc1ncc(C[NH3+])s1 40996514 343225080 /nfs/dbraw/zinc/22/50/80/343225080.db2.gz MAKQWEUMRFQSLF-UHFFFAOYSA-N 1 0 170.281 1.800 50 0 ADAARO CCC[NH2+]Cc1cncs1 40996705 343225223 /nfs/dbraw/zinc/22/52/23/343225223.db2.gz WJEJWQHYJCWKKE-UHFFFAOYSA-N 1 0 156.254 1.643 50 0 ADAARO Cc1noc(C2([NH3+])CCCCC2)n1 41032799 343225598 /nfs/dbraw/zinc/22/55/98/343225598.db2.gz KOMVPJFOFMVZEI-UHFFFAOYSA-N 1 0 181.239 1.496 50 0 ADAARO CCc1noc(C2([NH3+])CCCCC2)n1 41032798 343225647 /nfs/dbraw/zinc/22/56/47/343225647.db2.gz RYTAQHPPLIJNOJ-UHFFFAOYSA-N 1 0 195.266 1.750 50 0 ADAARO Cc1cc(C(N)=[NH2+])ccc1F 41042299 343226099 /nfs/dbraw/zinc/22/60/99/343226099.db2.gz YGSQDOLMOBMJTD-UHFFFAOYSA-N 1 0 152.172 1.418 50 0 ADAARO Cc1cc(C[NH2+]C2CC2)on1 41042188 343226117 /nfs/dbraw/zinc/22/61/17/343226117.db2.gz RQVVEVPTKUEVCY-UHFFFAOYSA-N 1 0 152.197 1.235 50 0 ADAARO C[C@H](CO)[NH2+]CC(C)(C)C 41042266 343226348 /nfs/dbraw/zinc/22/63/48/343226348.db2.gz KVNHGOLOCNVSOR-SSDOTTSWSA-N 1 0 145.246 1.003 50 0 ADAARO C[C@H](c1ccccc1)[C@H]([NH3+])CO 41046526 343226665 /nfs/dbraw/zinc/22/66/65/343226665.db2.gz ZRYLDRWRFLVIDB-PSASIEDQSA-N 1 0 165.236 1.110 50 0 in-vitro ADAARO C[C@H](c1ccccc1)[C@@H]([NH3+])CO 41046528 343226681 /nfs/dbraw/zinc/22/66/81/343226681.db2.gz ZRYLDRWRFLVIDB-SCZZXKLOSA-N 1 0 165.236 1.110 50 0 in-vitro ADAARO C[C@H](c1ccccc1)[C@H](O)C[NH3+] 41046470 343226732 /nfs/dbraw/zinc/22/67/32/343226732.db2.gz XJOFUFBSSUXTFV-PSASIEDQSA-N 1 0 165.236 1.110 50 0 ADAARO CC(C)(C)C[NH2+]CCn1ccnc1 41051489 343228135 /nfs/dbraw/zinc/22/81/35/343228135.db2.gz FOOKYNGFAQKZNE-UHFFFAOYSA-N 1 0 181.283 1.519 50 0 ADAARO C[C@H]([NH3+])[C@H](C)Oc1ccccc1F 41054008 343228361 /nfs/dbraw/zinc/22/83/61/343228361.db2.gz WSPKKRXQPQTPJP-YUMQZZPRSA-N 1 0 183.226 1.940 50 0 in-vitro ADAARO C[C@H](Oc1ccccc1F)[C@@H](C)[NH3+] 41054009 343228432 /nfs/dbraw/zinc/22/84/32/343228432.db2.gz WSPKKRXQPQTPJP-SFYZADRCSA-N 1 0 183.226 1.940 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H](C)Oc1ccccc1F 41054006 343228463 /nfs/dbraw/zinc/22/84/63/343228463.db2.gz WSPKKRXQPQTPJP-JGVFFNPUSA-N 1 0 183.226 1.940 50 0 in-vitro ADAARO CC(C)c1nnc([C@@H]2CCCC[NH2+]2)[nH]1 41058553 343228972 /nfs/dbraw/zinc/22/89/72/343228972.db2.gz OGSATULQVGXQLF-QMMMGPOBSA-N 1 0 194.282 1.743 50 0 ADAARO CC(C)c1nnc([C@H]2CCCC[NH2+]2)[nH]1 41058554 343229264 /nfs/dbraw/zinc/22/92/64/343229264.db2.gz OGSATULQVGXQLF-MRVPVSSYSA-N 1 0 194.282 1.743 50 0 ADAARO Cc1csc(C2([NH3+])CCC2)n1 41059766 343229817 /nfs/dbraw/zinc/22/98/17/343229817.db2.gz HHEVRCYVGOMCCU-UHFFFAOYSA-N 1 0 168.265 1.789 50 0 in-vitro ADAARO CC[C@](C)([NH3+])c1nccs1 41059564 343229827 /nfs/dbraw/zinc/22/98/27/343229827.db2.gz LHOUXQYEKFBUQT-ZETCQYMHSA-N 1 0 156.254 1.727 50 0 in-vitro ADAARO CC[C@@](C)([NH3+])c1nccs1 41059565 343229855 /nfs/dbraw/zinc/22/98/55/343229855.db2.gz LHOUXQYEKFBUQT-SSDOTTSWSA-N 1 0 156.254 1.727 50 0 in-vitro ADAARO C[C@H]([NH3+])c1nc2c(s1)COCC2 41059206 343229914 /nfs/dbraw/zinc/22/99/14/343229914.db2.gz YKJNMGKMGBNRJM-YFKPBYRVSA-N 1 0 184.264 1.236 50 0 ADAARO C[NH+](C)CC[C@H](O)c1ccc(F)cc1 41144806 343230614 /nfs/dbraw/zinc/23/06/14/343230614.db2.gz HXKHYYJUHCVYMI-NSHDSACASA-N 1 0 197.253 1.811 50 0 ADAARO CC[C@H](C)[N@@H+]1CCNC[C@@H]1C 41167319 343230655 /nfs/dbraw/zinc/23/06/55/343230655.db2.gz LFQMHTLYWHHVFZ-IUCAKERBSA-N 1 0 156.273 1.079 50 0 ADAARO CCC[NH2+]CCN1CCCCC1 41168362 343230879 /nfs/dbraw/zinc/23/08/79/343230879.db2.gz VHJMUTQHXFNNDP-UHFFFAOYSA-N 1 0 170.300 1.472 50 0 in-vitro ADAARO C[C@H](O)[C@@H]([NH3+])c1ccccc1F 41168223 343230943 /nfs/dbraw/zinc/23/09/43/343230943.db2.gz DWXYPVJJOLRWQJ-IMTBSYHQSA-N 1 0 169.199 1.206 50 0 ADAARO C[C@H]1CNCC[N@@H+]1C1CCCC1 41168206 343231027 /nfs/dbraw/zinc/23/10/27/343231027.db2.gz ASZIXIGBMYHICX-VIFPVBQESA-N 1 0 168.284 1.223 50 0 ADAARO Cc1cc(C2CC[NH2+]CC2)[nH]n1 41167994 343231040 /nfs/dbraw/zinc/23/10/40/343231040.db2.gz SYXPRJXSVOCVHX-UHFFFAOYSA-N 1 0 165.240 1.185 50 0 ADAARO C[C@H](CO)[NH+]1Cc2ccccc2C1 41199859 343231534 /nfs/dbraw/zinc/23/15/34/343231534.db2.gz PAFZOKJWXPORCM-SECBINFHSA-N 1 0 177.247 1.383 50 0 ADAARO CCc1nc(C2CC[NH2+]CC2)no1 41201685 343231899 /nfs/dbraw/zinc/23/18/99/343231899.db2.gz GLVWSYIZOMCMSB-UHFFFAOYSA-N 1 0 181.239 1.099 50 0 ADAARO C[C@H](CC(N)=O)[NH2+]Cc1ccccc1 41205981 343232229 /nfs/dbraw/zinc/23/22/29/343232229.db2.gz VZDFLAPWRQPCBF-SECBINFHSA-N 1 0 192.262 1.040 50 0 ADAARO CC(C)c1nc(C2CC[NH2+]CC2)no1 41207080 343232634 /nfs/dbraw/zinc/23/26/34/343232634.db2.gz SSCLNUCJXCQLIV-UHFFFAOYSA-N 1 0 195.266 1.660 50 0 in-vitro ADAARO C[NH+](C)CCCOc1cccc(O)c1 41207069 343232753 /nfs/dbraw/zinc/23/27/53/343232753.db2.gz WBAOXJIUILDSOW-UHFFFAOYSA-N 1 0 195.262 1.723 50 0 ADAARO CC(C)[NH2+]CCc1nccs1 41620547 343235007 /nfs/dbraw/zinc/23/50/07/343235007.db2.gz DGKLFBKCUAPMJD-UHFFFAOYSA-N 1 0 170.281 1.684 50 0 ADAARO Cc1ccsc1[C@H]([NH3+])CO 41675071 343235724 /nfs/dbraw/zinc/23/57/24/343235724.db2.gz SKSYCEDURIYPGT-ZCFIWIBFSA-N 1 0 157.238 1.049 50 0 in-vitro ADAARO Cc1cc2c(n1C)CCC[C@@H]2[NH3+] 41726873 343236047 /nfs/dbraw/zinc/23/60/47/343236047.db2.gz IGLYOGZYPSOCDZ-VIFPVBQESA-N 1 0 164.252 1.670 50 0 ADAARO Cc1ccc([C@@H]([NH3+])CO)s1 41677418 343236162 /nfs/dbraw/zinc/23/61/62/343236162.db2.gz BLVLSVVPRJHGQW-LURJTMIESA-N 1 0 157.238 1.049 50 0 ADAARO Cc1cc2c(n1C)CCC[C@H]2[NH3+] 41726878 343236183 /nfs/dbraw/zinc/23/61/83/343236183.db2.gz IGLYOGZYPSOCDZ-SECBINFHSA-N 1 0 164.252 1.670 50 0 ADAARO Cc1nnc(C[NH3+])n1-c1ccccc1 42039841 343236983 /nfs/dbraw/zinc/23/69/83/343236983.db2.gz AZFWKUOJYAZVIW-UHFFFAOYSA-N 1 0 188.234 1.034 50 0 ADAARO C[NH2+]C1(C)CCCC1 42187252 343237938 /nfs/dbraw/zinc/23/79/38/343237938.db2.gz XNSBZWPLJHUBPA-UHFFFAOYSA-N 1 0 113.204 1.539 50 0 in-vitro ADAARO Cc1cnn([C@@H]2CCC[NH2+]C2)c1 42290469 343239273 /nfs/dbraw/zinc/23/92/73/343239273.db2.gz FWDVJOKDANNSCK-SECBINFHSA-N 1 0 165.240 1.116 50 0 in-vitro ADAARO Cc1nccn1[C@H]1CCC[NH2+]C1 42290506 343239410 /nfs/dbraw/zinc/23/94/10/343239410.db2.gz RKGOASXMKWMIMO-VIFPVBQESA-N 1 0 165.240 1.116 50 0 in-vitro ADAARO Cc1nccn1[C@@H]1CCC[NH2+]C1 42290503 343239505 /nfs/dbraw/zinc/23/95/05/343239505.db2.gz RKGOASXMKWMIMO-SECBINFHSA-N 1 0 165.240 1.116 50 0 in-vitro ADAARO Cc1cc(C)n([C@@H]2CCC[NH2+]C2)n1 42290509 343239525 /nfs/dbraw/zinc/23/95/25/343239525.db2.gz ASEORIJNAXUCCB-SNVBAGLBSA-N 1 0 179.267 1.424 50 0 in-vitro ADAARO CC[C@H]([NH3+])CC(F)(F)F 42315553 343239900 /nfs/dbraw/zinc/23/99/00/343239900.db2.gz ZANWWERUZKUGLP-BYPYZUCNSA-N 1 0 141.136 1.676 50 0 in-vitro ADAARO CCc1nccn1[C@@H]1CCC[NH2+]C1 42304904 343239932 /nfs/dbraw/zinc/23/99/32/343239932.db2.gz PBPIFPBYNAOWNT-SECBINFHSA-N 1 0 179.267 1.370 50 0 in-vitro ADAARO CCc1nccn1[C@H]1CCC[NH2+]C1 42304907 343240072 /nfs/dbraw/zinc/24/00/72/343240072.db2.gz PBPIFPBYNAOWNT-VIFPVBQESA-N 1 0 179.267 1.370 50 0 in-vitro ADAARO CC[C@@H]([NH3+])CC(F)(F)F 42315554 343240094 /nfs/dbraw/zinc/24/00/94/343240094.db2.gz ZANWWERUZKUGLP-SCSAIBSYSA-N 1 0 141.136 1.676 50 0 in-vitro ADAARO CC[C@@H]([NH3+])c1ccc(C)cn1 42383864 343240981 /nfs/dbraw/zinc/24/09/81/343240981.db2.gz ZJGCRAJCKXIEKQ-MRVPVSSYSA-N 1 0 150.225 1.800 50 0 ADAARO CC(C)[C@H]1CCC[NH2+]C1 42383630 343241014 /nfs/dbraw/zinc/24/10/14/343241014.db2.gz FKEYLVBZOQMOOV-QMMMGPOBSA-N 1 0 127.231 1.642 50 0 in-vitro ADAARO CC[C@@H]([NH3+])c1cccc(C)n1 42383803 343241035 /nfs/dbraw/zinc/24/10/35/343241035.db2.gz CDTQUDZMUDLYQM-MRVPVSSYSA-N 1 0 150.225 1.800 50 0 in-vitro ADAARO CC(C)[C@@H]1CCC[NH2+]C1 42383624 343241053 /nfs/dbraw/zinc/24/10/53/343241053.db2.gz FKEYLVBZOQMOOV-MRVPVSSYSA-N 1 0 127.231 1.642 50 0 in-vitro ADAARO Cc1ccc([C@@H](C)[NH3+])nc1 42383730 343241068 /nfs/dbraw/zinc/24/10/68/343241068.db2.gz XXAOROMGOIPMQJ-SSDOTTSWSA-N 1 0 136.198 1.410 50 0 in-vitro ADAARO Cc1cc(C[NH3+])cnc1C 42384056 343241136 /nfs/dbraw/zinc/24/11/36/343241136.db2.gz OGPPCWKRQPEFRP-UHFFFAOYSA-N 1 0 136.198 1.157 50 0 in-vitro ADAARO Cc1cccc([C@H](C)[NH3+])n1 42383836 343241138 /nfs/dbraw/zinc/24/11/38/343241138.db2.gz WYWLBJSLKUQLHT-ZETCQYMHSA-N 1 0 136.198 1.410 50 0 in-vitro ADAARO Cc1cc([C@H]2CCCC[NH2+]2)no1 42384161 343241416 /nfs/dbraw/zinc/24/14/16/343241416.db2.gz BYXVVIQOTFWZNV-MRVPVSSYSA-N 1 0 166.224 1.798 50 0 in-vitro ADAARO Cc1cc([C@@H]2CCCC[NH2+]2)no1 42384157 343241514 /nfs/dbraw/zinc/24/15/14/343241514.db2.gz BYXVVIQOTFWZNV-QMMMGPOBSA-N 1 0 166.224 1.798 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])CC(F)(F)F 42413225 343241736 /nfs/dbraw/zinc/24/17/36/343241736.db2.gz IHZYNDVGXILSGV-YFKPBYRVSA-N 1 0 155.163 1.922 50 0 in-vitro ADAARO CCc1ccsc1C[NH3+] 42411152 343241760 /nfs/dbraw/zinc/24/17/60/343241760.db2.gz CKUOHYPFSDSRKP-UHFFFAOYSA-N 1 0 141.239 1.769 50 0 in-vitro ADAARO C[NH2+]CCCN(C)Cc1ccncc1 42409629 343241913 /nfs/dbraw/zinc/24/19/13/343241913.db2.gz DWRMDPQYOAPXAO-UHFFFAOYSA-N 1 0 193.294 1.123 50 0 in-vitro ADAARO CC[C@@H]1CCCC[C@@H]1[NH2+]CCO 42578608 343247348 /nfs/dbraw/zinc/24/73/48/343247348.db2.gz QQGWSWAVEALNHJ-ZJUUUORDSA-N 1 0 171.284 1.537 50 0 ADAARO CC[C@H]1CCCC[C@@H]1[NH2+]CCO 42578611 343247556 /nfs/dbraw/zinc/24/75/56/343247556.db2.gz QQGWSWAVEALNHJ-UWVGGRQHSA-N 1 0 171.284 1.537 50 0 ADAARO CC[C@H]1CCCC[C@H]1[NH2+]CCO 42578617 343247887 /nfs/dbraw/zinc/24/78/87/343247887.db2.gz QQGWSWAVEALNHJ-VHSXEESVSA-N 1 0 171.284 1.537 50 0 ADAARO Cc1cc(N)c2cc[nH]c2[nH+]1 42689469 343248500 /nfs/dbraw/zinc/24/85/00/343248500.db2.gz LNLFPJVXLOPHDJ-UHFFFAOYSA-N 1 0 147.181 1.454 50 0 in-vitro ADAARO CCC(=O)OCCC1CC[NH2+]CC1 42768954 343248805 /nfs/dbraw/zinc/24/88/05/343248805.db2.gz LWJIHDWBYINJKP-UHFFFAOYSA-N 1 0 185.267 1.329 50 0 ADAARO Cc1ccc(COC2C[NH2+]C2)cc1 42769813 343248882 /nfs/dbraw/zinc/24/88/82/343248882.db2.gz YOTOJWJGYRVHIG-UHFFFAOYSA-N 1 0 177.247 1.483 50 0 ADAARO Cc1cccc(COC2C[NH2+]C2)c1 42769795 343248892 /nfs/dbraw/zinc/24/88/92/343248892.db2.gz IXHMMFHPPQFHFL-UHFFFAOYSA-N 1 0 177.247 1.483 50 0 ADAARO Cc1ccc(OC2C[NH2+]C2)c(Cl)c1 42769625 343248929 /nfs/dbraw/zinc/24/89/29/343248929.db2.gz PQEBGCWUVLGQPI-UHFFFAOYSA-N 1 0 197.665 1.999 50 0 ADAARO CCC(=O)OCC[C@@H]1CCC[NH2+]C1 42768958 343248936 /nfs/dbraw/zinc/24/89/36/343248936.db2.gz VHAFCQULNJOVGL-VIFPVBQESA-N 1 0 185.267 1.329 50 0 ADAARO CCCCCOC1C[NH2+]C1 42769771 343248943 /nfs/dbraw/zinc/24/89/43/343248943.db2.gz REUQEQNBHSQJJZ-UHFFFAOYSA-N 1 0 143.230 1.165 50 0 in-vitro ADAARO CCC(=O)OCC[C@H]1CCCC[NH2+]1 42768971 343249030 /nfs/dbraw/zinc/24/90/30/343249030.db2.gz VJOIFRPSIOMVOK-SECBINFHSA-N 1 0 185.267 1.472 50 0 ADAARO CCCCCO[C@H]1CC[NH2+]C1 42775969 343249168 /nfs/dbraw/zinc/24/91/68/343249168.db2.gz IHVCGHAVKWEDNH-VIFPVBQESA-N 1 0 157.257 1.555 50 0 ADAARO CC(C)OCC[C@@H]1CCC[NH2+]C1 42774278 343249177 /nfs/dbraw/zinc/24/91/77/343249177.db2.gz IHMGCDNCGIFJID-JTQLQIEISA-N 1 0 171.284 1.801 50 0 ADAARO C[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 42783302 343249182 /nfs/dbraw/zinc/24/91/82/343249182.db2.gz KPZUTWRAYCDKMP-VHSXEESVSA-N 1 0 168.284 1.080 50 0 ADAARO Cc1cccc(OC2C[NH2+]C2)c1C 42769894 343249209 /nfs/dbraw/zinc/24/92/09/343249209.db2.gz KACHZCLSILCLRU-UHFFFAOYSA-N 1 0 177.247 1.654 50 0 ADAARO CCCN(CCC)[C@@H]1CC[NH2+]C1 42783311 343249245 /nfs/dbraw/zinc/24/92/45/343249245.db2.gz HKMCRSFGPAZZJA-SNVBAGLBSA-N 1 0 170.300 1.470 50 0 ADAARO CCCCCOC[C@@H]1CC[NH2+]C1 42771774 343249295 /nfs/dbraw/zinc/24/92/95/343249295.db2.gz AWKBZSLWCIKPQF-SNVBAGLBSA-N 1 0 171.284 1.803 50 0 ADAARO Cc1ccc(OC2C[NH2+]C2)cc1C 42769937 343249320 /nfs/dbraw/zinc/24/93/20/343249320.db2.gz OPLVXDQATZDFMN-UHFFFAOYSA-N 1 0 177.247 1.654 50 0 in-vitro ADAARO Cc1cc(C)cc(OC2C[NH2+]C2)c1 42769940 343249396 /nfs/dbraw/zinc/24/93/96/343249396.db2.gz ICFQEAARJXFZMP-UHFFFAOYSA-N 1 0 177.247 1.654 50 0 ADAARO Cc1ccc(C)c(OC2C[NH2+]C2)c1 42769906 343249421 /nfs/dbraw/zinc/24/94/21/343249421.db2.gz MRVQLOQAKVBDBJ-UHFFFAOYSA-N 1 0 177.247 1.654 50 0 in-vitro ADAARO CCCCOC[C@H]1CC[NH2+]C1 42771761 343249425 /nfs/dbraw/zinc/24/94/25/343249425.db2.gz RSZBXCACGNFVPQ-VIFPVBQESA-N 1 0 157.257 1.413 50 0 ADAARO Cc1cc(OC2C[NH2+]C2)ccc1Cl 42769948 343249436 /nfs/dbraw/zinc/24/94/36/343249436.db2.gz RWQBSKKQESMJET-UHFFFAOYSA-N 1 0 197.665 1.999 50 0 ADAARO Cc1cc(C)c(C)c(OC2C[NH2+]C2)c1 42769898 343249440 /nfs/dbraw/zinc/24/94/40/343249440.db2.gz PZAPESQYMFEQMN-UHFFFAOYSA-N 1 0 191.274 1.962 50 0 ADAARO CC[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 42783313 343249445 /nfs/dbraw/zinc/24/94/45/343249445.db2.gz VNHIDBOBGHDNOW-GHMZBOCLSA-N 1 0 182.311 1.613 50 0 ADAARO CCc1ccc(OC2C[NH2+]C2)cc1 42770017 343249479 /nfs/dbraw/zinc/24/94/79/343249479.db2.gz ZCOSJJUTZQWWEF-UHFFFAOYSA-N 1 0 177.247 1.600 50 0 ADAARO CC[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 42783314 343249509 /nfs/dbraw/zinc/24/95/09/343249509.db2.gz VNHIDBOBGHDNOW-WDEREUQCSA-N 1 0 182.311 1.613 50 0 ADAARO C[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 42783300 343249511 /nfs/dbraw/zinc/24/95/11/343249511.db2.gz XDYHGXBDWIRBKU-VHSXEESVSA-N 1 0 168.284 1.223 50 0 ADAARO CCCN(CCC)[C@H]1CC[NH2+]C1 42783312 343249521 /nfs/dbraw/zinc/24/95/21/343249521.db2.gz HKMCRSFGPAZZJA-JTQLQIEISA-N 1 0 170.300 1.470 50 0 ADAARO C[NH+](C)CCNc1cccc(Cl)n1 42783967 343249683 /nfs/dbraw/zinc/24/96/83/343249683.db2.gz KOJAIQGHMRKCQR-UHFFFAOYSA-N 1 0 199.685 1.709 50 0 ADAARO Cc1cc([C@@H]2CCC[NH2+]C2)on1 42784241 343249701 /nfs/dbraw/zinc/24/97/01/343249701.db2.gz CMZOGZPXPUHNSK-MRVPVSSYSA-N 1 0 166.224 1.450 50 0 ADAARO Cc1cc([C@H]2CCC[NH2+]C2)on1 42784242 343249830 /nfs/dbraw/zinc/24/98/30/343249830.db2.gz CMZOGZPXPUHNSK-QMMMGPOBSA-N 1 0 166.224 1.450 50 0 ADAARO Cc1cc(C2CC[NH2+]CC2)on1 42784243 343249832 /nfs/dbraw/zinc/24/98/32/343249832.db2.gz AXVBDMPVKKHKEE-UHFFFAOYSA-N 1 0 166.224 1.450 50 0 ADAARO C[C@H]([NH3+])[C@H](c1ccccc1)N(C)C 42900859 343249989 /nfs/dbraw/zinc/24/99/89/343249989.db2.gz LMTBPLOIFJDYEV-GXSJLCMTSA-N 1 0 178.279 1.637 50 0 in-vitro ADAARO C[C@H]([NH3+])CC1CC1 43214518 343250473 /nfs/dbraw/zinc/25/04/73/343250473.db2.gz WFJUBRAHXQCZAM-YFKPBYRVSA-N 1 0 99.177 1.134 50 0 ADAARO Cc1cccc(CC[NH3+])c1C 43304803 343250991 /nfs/dbraw/zinc/25/09/91/343250991.db2.gz IGMRZOPJPZWRFU-UHFFFAOYSA-N 1 0 149.237 1.805 50 0 ADAARO C[C@H](C[NH3+])Oc1cccc(F)c1 43514166 343253038 /nfs/dbraw/zinc/25/30/38/343253038.db2.gz SUWBMVLBECTPCD-SSDOTTSWSA-N 1 0 169.199 1.552 50 0 in-vitro ADAARO CC[C@@H](C[NH3+])Oc1ccccc1F 43541548 343255074 /nfs/dbraw/zinc/25/50/74/343255074.db2.gz QVAGGNDTYUYINE-QMMMGPOBSA-N 1 0 183.226 1.942 50 0 in-vitro ADAARO CC[C@H](C[NH3+])Oc1cccc(F)c1 43541609 343255236 /nfs/dbraw/zinc/25/52/36/343255236.db2.gz GIAZEWHIGQCIQO-SECBINFHSA-N 1 0 183.226 1.942 50 0 ADAARO CC[C@@H](C[NH3+])Oc1ccccc1 43541594 343255246 /nfs/dbraw/zinc/25/52/46/343255246.db2.gz SYJYUOUNEDFGGO-VIFPVBQESA-N 1 0 165.236 1.803 50 0 in-vitro ADAARO CC(C)[C@H](C)CC[NH3+] 43559393 343255668 /nfs/dbraw/zinc/25/56/68/343255668.db2.gz WEZJDTIOVDYLCA-SSDOTTSWSA-N 1 0 115.220 1.627 50 0 ADAARO C[C@H]1Oc2ccccc2[C@@H]1[NH3+] 43633473 343257141 /nfs/dbraw/zinc/25/71/41/343257141.db2.gz NGAXPFVLTBQIDM-HZGVNTEJSA-N 1 0 149.193 1.467 50 0 ADAARO C[C@H]1Oc2ccccc2[C@H]1[NH3+] 43633469 343257289 /nfs/dbraw/zinc/25/72/89/343257289.db2.gz NGAXPFVLTBQIDM-MUWHJKNJSA-N 1 0 149.193 1.467 50 0 ADAARO C[C@H]1Oc2c(F)cccc2[C@@H]1[NH3+] 43633348 343257454 /nfs/dbraw/zinc/25/74/54/343257454.db2.gz MFQGCMOGPFGQFI-SVGQVSJJSA-N 1 0 167.183 1.606 50 0 in-vitro ADAARO CC[C@](O)(C[NH+](C)C)c1ccccc1 44126401 343260733 /nfs/dbraw/zinc/26/07/33/343260733.db2.gz TXXOHRYHPSLKNY-LBPRGKRZSA-N 1 0 193.290 1.846 50 0 in-vitro ADAARO CCOC(=O)[C@@H]1CC[C@@H](C)[C@H]([NH2+]C)C1 44124171 343260785 /nfs/dbraw/zinc/26/07/85/343260785.db2.gz NBOQWVLNNYXZDZ-OPRDCNLKSA-N 1 0 199.294 1.574 50 0 ADAARO CC[C@@](O)(C[NH+](C)C)c1ccccc1 44126397 343261051 /nfs/dbraw/zinc/26/10/51/343261051.db2.gz TXXOHRYHPSLKNY-GFCCVEGCSA-N 1 0 193.290 1.846 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccnc(Cl)c1 44138902 343261292 /nfs/dbraw/zinc/26/12/92/343261292.db2.gz QVYJLHKUZZRYEH-YFKPBYRVSA-N 1 0 156.616 1.755 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ncccc1F 44138872 343261324 /nfs/dbraw/zinc/26/13/24/343261324.db2.gz OQOGUSGSVBLLPD-YFKPBYRVSA-N 1 0 140.161 1.240 50 0 in-vitro ADAARO CCCC[C@H](C[NH3+])C(=O)OCC 44195717 343262023 /nfs/dbraw/zinc/26/20/23/343262023.db2.gz WAOJEHBDRPGNNT-MRVPVSSYSA-N 1 0 173.256 1.315 50 0 ADAARO CCC(C)(CC)C[NH3+] 44236560 343262827 /nfs/dbraw/zinc/26/28/27/343262827.db2.gz HGGUWASRBGFLDM-UHFFFAOYSA-N 1 0 115.220 1.771 50 0 ADAARO Cc1ccc(C[NH3+])c(Cl)n1 44248653 343262894 /nfs/dbraw/zinc/26/28/94/343262894.db2.gz SIMNNLTYHOJPST-UHFFFAOYSA-N 1 0 156.616 1.502 50 0 in-vitro ADAARO Cc1nc(C2CC2)sc1C[NH3+] 47218762 343273297 /nfs/dbraw/zinc/27/32/97/343273297.db2.gz OEBPPYKNLBEGSR-UHFFFAOYSA-N 1 0 168.265 1.788 50 0 ADAARO Cc1ccc(CCC[NH3+])s1 44279472 343263185 /nfs/dbraw/zinc/26/31/85/343263185.db2.gz KXGJHODEJWQRRS-UHFFFAOYSA-N 1 0 155.266 1.948 50 0 in-vitro ADAARO Cc1cnccc1CCC[NH3+] 44280134 343263233 /nfs/dbraw/zinc/26/32/33/343263233.db2.gz LQARVRGPLPRMOX-UHFFFAOYSA-N 1 0 150.225 1.281 50 0 ADAARO Cc1cc(F)ccc1CC[NH3+] 44397060 343264523 /nfs/dbraw/zinc/26/45/23/343264523.db2.gz BUUVJVBLJJWZOG-UHFFFAOYSA-N 1 0 153.200 1.635 50 0 in-vitro ADAARO CC1(C)Cc2cccc(CC[NH3+])c2O1 44397308 343264551 /nfs/dbraw/zinc/26/45/51/343264551.db2.gz VUCTXUPEOREGIN-UHFFFAOYSA-N 1 0 191.274 1.901 50 0 in-vitro ADAARO CC[C@@H]([NH3+])CC1CC1 44403338 343265043 /nfs/dbraw/zinc/26/50/43/343265043.db2.gz JCXKPIBKDPHVEY-SSDOTTSWSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO C[C@H]([NH3+])CC(C)(C)C 44410455 343265113 /nfs/dbraw/zinc/26/51/13/343265113.db2.gz XAVBRZMHQJCGDI-LURJTMIESA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO Cc1cc(C)cc([C@H](O)C[NH3+])c1 44419272 343265525 /nfs/dbraw/zinc/26/55/25/343265525.db2.gz ODOLMCVMBQOBPL-SNVBAGLBSA-N 1 0 165.236 1.296 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cncc(F)c1 44463353 343265744 /nfs/dbraw/zinc/26/57/44/343265744.db2.gz KTESVPWZFNAFOU-YFKPBYRVSA-N 1 0 140.161 1.240 50 0 in-vitro ADAARO Cc1ccc(C[C@@H]([NH3+])CO)cc1C 44463982 343265838 /nfs/dbraw/zinc/26/58/38/343265838.db2.gz GLCVFQNQEOQYNT-LLVKDONJSA-N 1 0 179.263 1.166 50 0 ADAARO C[C@H]([NH3+])CC(=O)c1ccc(F)cc1 44460871 343265840 /nfs/dbraw/zinc/26/58/40/343265840.db2.gz YVOOLGLDIPLLIU-ZETCQYMHSA-N 1 0 181.210 1.746 50 0 in-vitro ADAARO CC1(C[NH3+])CCC1 44682129 343268032 /nfs/dbraw/zinc/26/80/32/343268032.db2.gz NZBCGJVYSMLKRN-UHFFFAOYSA-N 1 0 99.177 1.135 50 0 in-vitro ADAARO CC1CCC(C(N)=[NH2+])CC1 44982915 343270223 /nfs/dbraw/zinc/27/02/23/343270223.db2.gz DEUFKOMGONIRDK-UHFFFAOYSA-N 1 0 140.230 1.749 50 0 in-vitro ADAARO C[NH+](C)[C@@H]1CCCCCOC1 45069308 343270804 /nfs/dbraw/zinc/27/08/04/343270804.db2.gz XQSKCUASTCJZLV-SECBINFHSA-N 1 0 157.257 1.507 50 0 ADAARO Cc1cnc([C@H]([NH3+])C2CC2)s1 45206199 343271658 /nfs/dbraw/zinc/27/16/58/343271658.db2.gz FLZXXKPDILZZGE-SSDOTTSWSA-N 1 0 168.265 1.861 50 0 in-vitro ADAARO C[C@H](O)CCCC[NH+](C)C 45619201 343272036 /nfs/dbraw/zinc/27/20/36/343272036.db2.gz PHLDMHNERXSHJK-QMMMGPOBSA-N 1 0 145.246 1.099 50 0 in-vitro ADAARO Cc1nc2ccc(C[NH3+])cc2[nH]1 45238558 343272093 /nfs/dbraw/zinc/27/20/93/343272093.db2.gz XFMATJBLGFMLBT-UHFFFAOYSA-N 1 0 161.208 1.330 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc2nc[nH]c2c1 45820835 343272346 /nfs/dbraw/zinc/27/23/46/343272346.db2.gz DBAJKAVSAXBACO-LURJTMIESA-N 1 0 161.208 1.583 50 0 ADAARO CC(C)[C@@H]1[NH2+]CCc2nc[nH]c21 45808830 343272455 /nfs/dbraw/zinc/27/24/55/343272455.db2.gz OJQDVKRXYOZHRR-QMMMGPOBSA-N 1 0 165.240 1.253 50 0 in-vitro ADAARO CC(C)[C@H]1[NH2+]CCc2nc[nH]c21 45808826 343272491 /nfs/dbraw/zinc/27/24/91/343272491.db2.gz OJQDVKRXYOZHRR-MRVPVSSYSA-N 1 0 165.240 1.253 50 0 in-vitro ADAARO Cc1noc(C2CCC(C[NH3+])CC2)n1 45894408 343272700 /nfs/dbraw/zinc/27/27/00/343272700.db2.gz XRYOMSUVYRFSIW-UHFFFAOYSA-N 1 0 195.266 1.611 50 0 ADAARO CCc1noc(CC2CC[NH2+]CC2)n1 45893387 343272744 /nfs/dbraw/zinc/27/27/44/343272744.db2.gz DDSWFTIIKAEUPX-UHFFFAOYSA-N 1 0 195.266 1.174 50 0 ADAARO Cc1cc([C@H](C)[NH3+])no1 45929666 343272837 /nfs/dbraw/zinc/27/28/37/343272837.db2.gz LEFVDZCQGFWHQB-YFKPBYRVSA-N 1 0 126.159 1.003 50 0 in-vitro ADAARO CC1(C)CCC[C@](O)(C[NH3+])C1 48056655 343273694 /nfs/dbraw/zinc/27/36/94/343273694.db2.gz MLZLVMCHKUSCQC-SECBINFHSA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO Cc1c(C[NH3+])cnn1CC(C)C 48218328 343273732 /nfs/dbraw/zinc/27/37/32/343273732.db2.gz BXBJVBGJKASQCD-UHFFFAOYSA-N 1 0 167.256 1.306 50 0 in-vitro ADAARO CC[C@H](C)Oc1cc(C[NH3+])ccn1 48263501 343273982 /nfs/dbraw/zinc/27/39/82/343273982.db2.gz GKQRPDYZKWKDRW-QMMMGPOBSA-N 1 0 180.251 1.718 50 0 in-vitro ADAARO C(CC1CC1)[NH2+]CC1CC1 49730520 343276548 /nfs/dbraw/zinc/27/65/48/343276548.db2.gz AMUPTOUXSKVYLV-UHFFFAOYSA-N 1 0 139.242 1.786 50 0 ADAARO Cc1cc([C@@H]2C[NH2+]CCO2)ccc1F 49811478 343277302 /nfs/dbraw/zinc/27/73/02/343277302.db2.gz QJEDQKWSLOOTKZ-NSHDSACASA-N 1 0 195.237 1.795 50 0 in-vitro ADAARO Cc1cccc([C@@](C)(O)C[NH3+])c1 50093770 343277622 /nfs/dbraw/zinc/27/76/22/343277622.db2.gz KDJKCQOXHFKRDT-JTQLQIEISA-N 1 0 165.236 1.161 50 0 ADAARO C[C@](O)(C[NH3+])c1ccccc1Cl 50093774 343277739 /nfs/dbraw/zinc/27/77/39/343277739.db2.gz SYNCFXLWOOEJGK-VIFPVBQESA-N 1 0 185.654 1.506 50 0 in-vitro ADAARO CC[C@H]([NH3+])COCC(F)(F)F 50180721 343279151 /nfs/dbraw/zinc/27/91/51/343279151.db2.gz WNGKXRMUFJDQEE-YFKPBYRVSA-N 1 0 171.162 1.303 50 0 ADAARO CC[C@@H]([NH3+])COc1ccccc1F 50180986 343279361 /nfs/dbraw/zinc/27/93/61/343279361.db2.gz ZRXXJKOJQURPKR-MRVPVSSYSA-N 1 0 183.226 1.942 50 0 in-vitro ADAARO CC[C@H]([NH3+])COCC1CC1 50181446 343279384 /nfs/dbraw/zinc/27/93/84/343279384.db2.gz OYJPARFVZHZRAW-QMMMGPOBSA-N 1 0 143.230 1.150 50 0 ADAARO CC[C@H]([NH3+])COc1ccccc1F 50180985 343279409 /nfs/dbraw/zinc/27/94/09/343279409.db2.gz ZRXXJKOJQURPKR-QMMMGPOBSA-N 1 0 183.226 1.942 50 0 in-vitro ADAARO Cc1n[nH]cc1CCC[NH2+]C(C)C 50182527 343279709 /nfs/dbraw/zinc/27/97/09/343279709.db2.gz ZHFFUQZEDCHFBI-UHFFFAOYSA-N 1 0 181.283 1.649 50 0 ADAARO CC[C@H](C)OC(=O)CCC(C)(C)[NH3+] 50197394 343279817 /nfs/dbraw/zinc/27/98/17/343279817.db2.gz NKTHRGOFVWTGHC-QMMMGPOBSA-N 1 0 187.283 1.846 50 0 in-vitro ADAARO C[C@H]1C[NH2+]C[C@@H](c2ccsc2)O1 50339967 343282225 /nfs/dbraw/zinc/28/22/25/343282225.db2.gz WVKONACANKCVGD-CBAPKCEASA-N 1 0 183.276 1.798 50 0 ADAARO Cc1nnc(C[NH2+]C(C)(C)C)o1 50499200 343283062 /nfs/dbraw/zinc/28/30/62/343283062.db2.gz OPJJGEWXEBPDCZ-UHFFFAOYSA-N 1 0 169.228 1.266 50 0 ADAARO Cc1cccc(-c2cc(C[NH3+])[nH]n2)c1 50478914 343283271 /nfs/dbraw/zinc/28/32/71/343283271.db2.gz JERUSTAGRUBPRU-UHFFFAOYSA-N 1 0 187.246 1.844 50 0 ADAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH2+]1 51358292 343289931 /nfs/dbraw/zinc/28/99/31/343289931.db2.gz VSCSVCQQMOCDLN-NXEZZACHSA-N 1 0 196.294 1.139 50 0 ADAARO CC(C)Oc1ccnc(C[NH3+])c1 51526509 343290088 /nfs/dbraw/zinc/29/00/88/343290088.db2.gz UWCIQHWUICHZRC-UHFFFAOYSA-N 1 0 166.224 1.328 50 0 ADAARO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[NH2+]1 51358291 343289999 /nfs/dbraw/zinc/28/99/99/343289999.db2.gz VSCSVCQQMOCDLN-UWVGGRQHSA-N 1 0 196.294 1.139 50 0 ADAARO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 51358290 343290097 /nfs/dbraw/zinc/29/00/97/343290097.db2.gz VSCSVCQQMOCDLN-VHSXEESVSA-N 1 0 196.294 1.139 50 0 ADAARO Cc1ccc(C[NH3+])c(N(C)C)c1 51578637 343290181 /nfs/dbraw/zinc/29/01/81/343290181.db2.gz JKNGZNBZHCLBNX-UHFFFAOYSA-N 1 0 164.252 1.520 50 0 ADAARO CCC(=O)N1CCC[C@H]1[C@H]1CCC[NH2+]1 51358293 343290204 /nfs/dbraw/zinc/29/02/04/343290204.db2.gz VSCSVCQQMOCDLN-ZJUUUORDSA-N 1 0 196.294 1.139 50 0 ADAARO CC[C@@H](NC(=O)C[NH3+])c1ccccc1 51628335 343290413 /nfs/dbraw/zinc/29/04/13/343290413.db2.gz IXPQTFAXZRPQHA-SNVBAGLBSA-N 1 0 192.262 1.213 50 0 ADAARO CC[C@H](NC(=O)C[NH3+])c1ccccc1 51628333 343290496 /nfs/dbraw/zinc/29/04/96/343290496.db2.gz IXPQTFAXZRPQHA-JTQLQIEISA-N 1 0 192.262 1.213 50 0 ADAARO CCCC[C@@H]([NH3+])COC 51695434 343292135 /nfs/dbraw/zinc/29/21/35/343292135.db2.gz YRVJGRMTSPJBGP-SSDOTTSWSA-N 1 0 131.219 1.150 50 0 in-vitro ADAARO CCCC[C@H]([NH3+])COC 51695433 343292171 /nfs/dbraw/zinc/29/21/71/343292171.db2.gz YRVJGRMTSPJBGP-ZETCQYMHSA-N 1 0 131.219 1.150 50 0 in-vitro ADAARO Cc1nc(CO[C@H]2CC[NH2+]C2)cs1 51782022 343293127 /nfs/dbraw/zinc/29/31/27/343293127.db2.gz GGMSRBBUKDWNNQ-VIFPVBQESA-N 1 0 198.291 1.330 50 0 ADAARO Cc1nc(CO[C@@H]2CC[NH2+]C2)cs1 51782020 343293320 /nfs/dbraw/zinc/29/33/20/343293320.db2.gz GGMSRBBUKDWNNQ-SECBINFHSA-N 1 0 198.291 1.330 50 0 ADAARO Cc1ccnc(S[C@H]2CC[NH2+]C2)n1 51784270 343293583 /nfs/dbraw/zinc/29/35/83/343293583.db2.gz GDESTIYDXXULHI-QMMMGPOBSA-N 1 0 195.291 1.239 50 0 ADAARO Cc1ccnc(S[C@@H]2CC[NH2+]C2)n1 51784268 343293743 /nfs/dbraw/zinc/29/37/43/343293743.db2.gz GDESTIYDXXULHI-MRVPVSSYSA-N 1 0 195.291 1.239 50 0 ADAARO Cc1cccnc1O[C@H]1CC[NH2+]C1 51868587 343294374 /nfs/dbraw/zinc/29/43/74/343294374.db2.gz WAOXQDQPQCZRRN-VIFPVBQESA-N 1 0 178.235 1.131 50 0 ADAARO Cc1cccnc1OC1CC[NH2+]CC1 51865673 343294414 /nfs/dbraw/zinc/29/44/14/343294414.db2.gz CFIVFYBZJJVTSN-UHFFFAOYSA-N 1 0 192.262 1.521 50 0 ADAARO Cc1cccc(OC2CC[NH2+]CC2)n1 51865657 343294445 /nfs/dbraw/zinc/29/44/45/343294445.db2.gz JPZKICXEFHFVGE-UHFFFAOYSA-N 1 0 192.262 1.521 50 0 ADAARO Cc1ccnc(O[C@@H]2CC[NH2+]C2)c1 51868702 343294501 /nfs/dbraw/zinc/29/45/01/343294501.db2.gz NOKJUAAWTHPJIG-SECBINFHSA-N 1 0 178.235 1.131 50 0 ADAARO Cc1ccc(O[C@@H]2CC[NH2+]C2)nc1 51868132 343294577 /nfs/dbraw/zinc/29/45/77/343294577.db2.gz LWJPUNUAQFDVFC-SECBINFHSA-N 1 0 178.235 1.131 50 0 ADAARO Cc1cccc(O[C@@H]2CC[NH2+]C2)n1 51868555 343294581 /nfs/dbraw/zinc/29/45/81/343294581.db2.gz OHQGBXHYZHQBKH-SECBINFHSA-N 1 0 178.235 1.131 50 0 ADAARO Cc1cccc(O[C@H]2CCC[NH2+]C2)n1 51872980 343295122 /nfs/dbraw/zinc/29/51/22/343295122.db2.gz YABUIYKIRHHZMD-JTQLQIEISA-N 1 0 192.262 1.521 50 0 ADAARO Cc1cccc(O[C@@H]2CCC[NH2+]C2)n1 51872978 343295127 /nfs/dbraw/zinc/29/51/27/343295127.db2.gz YABUIYKIRHHZMD-SNVBAGLBSA-N 1 0 192.262 1.521 50 0 ADAARO CC[C@H]1CC[NH2+][C@@H]1C 51953896 343296395 /nfs/dbraw/zinc/29/63/95/343296395.db2.gz UAXAEXSGLQSLFT-RQJHMYQMSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[C@H]1CC[NH2+][C@H]1C 51953874 343296500 /nfs/dbraw/zinc/29/65/00/343296500.db2.gz ZKCLHJUZGZWTNA-WDSKDSINSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO CC[C@@H]1CC[NH2+][C@H]1C 51953897 343296505 /nfs/dbraw/zinc/29/65/05/343296505.db2.gz UAXAEXSGLQSLFT-NKWVEPMBSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CC[C@H]1CC[NH2+][C@H]1C 51953899 343296680 /nfs/dbraw/zinc/29/66/80/343296680.db2.gz UAXAEXSGLQSLFT-BQBZGAKWSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[C@H]1CC[NH2+]C1(C)C 51954793 343296869 /nfs/dbraw/zinc/29/68/69/343296869.db2.gz JARCPRULXFKTBE-LURJTMIESA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[C@H]1[NH2+]CCC1(C)C 51955535 343297190 /nfs/dbraw/zinc/29/71/90/343297190.db2.gz SGVPYTKLHWHYIC-ZCFIWIBFSA-N 1 0 113.204 1.394 50 0 ADAARO C[C@@]1(c2ccccc2)CC[NH2+]C1 51955272 343297256 /nfs/dbraw/zinc/29/72/56/343297256.db2.gz FITWJEPAVCOKSH-LLVKDONJSA-N 1 0 161.248 1.938 50 0 in-vitro ADAARO CC(C)OC(C)(C)C[NH3+] 51957457 343297280 /nfs/dbraw/zinc/29/72/80/343297280.db2.gz JLLKWXDFQXFXSX-UHFFFAOYSA-N 1 0 131.219 1.149 50 0 ADAARO CNC(=[NH2+])N[C@@H](C)c1ccccc1 52019365 343297756 /nfs/dbraw/zinc/29/77/56/343297756.db2.gz XNXJOTGECJAZDX-QMMMGPOBSA-N 1 0 177.251 1.491 50 0 ADAARO CNC(=[NH2+])N[C@H](C)c1ccccc1 52019367 343297857 /nfs/dbraw/zinc/29/78/57/343297857.db2.gz XNXJOTGECJAZDX-MRVPVSSYSA-N 1 0 177.251 1.491 50 0 ADAARO CNC(=[NH2+])NC1CCCCC1 52019297 343297913 /nfs/dbraw/zinc/29/79/13/343297913.db2.gz MQDZDIKNNIUCFZ-UHFFFAOYSA-N 1 0 155.245 1.063 50 0 ADAARO CCCC1CCC(NC(N)=[NH2+])CC1 52035938 343298087 /nfs/dbraw/zinc/29/80/87/343298087.db2.gz JVLUQYBBHYZIEO-UHFFFAOYSA-N 1 0 183.299 1.828 50 0 ADAARO CC1CCN(C(=[NH2+])NC2CC2)CC1 52036888 343298278 /nfs/dbraw/zinc/29/82/78/343298278.db2.gz RNZCIKQDAWGBLE-UHFFFAOYSA-N 1 0 181.283 1.405 50 0 ADAARO Cc1cccc(N[C@H]2CC[NH2+]C2)n1 52093959 343299940 /nfs/dbraw/zinc/29/99/40/343299940.db2.gz CTCHWSUODFNVMD-VIFPVBQESA-N 1 0 177.251 1.164 50 0 in-vitro ADAARO Cc1cc(F)ccc1NC(N)=[NH2+] 52091878 343299965 /nfs/dbraw/zinc/29/99/65/343299965.db2.gz BTXMWAIHNYCCAZ-UHFFFAOYSA-N 1 0 167.187 1.439 50 0 ADAARO Cc1cc(C)c2c(c1)C[NH2+]CC2 52095217 343300388 /nfs/dbraw/zinc/30/03/88/343300388.db2.gz SNCBXQLOVNAKHT-UHFFFAOYSA-N 1 0 161.248 1.949 50 0 in-vitro ADAARO Cc1cc(C)c2c(c1)CC[NH2+]C2 52095213 343300403 /nfs/dbraw/zinc/30/04/03/343300403.db2.gz ZFPWKVIUPYDEFE-UHFFFAOYSA-N 1 0 161.248 1.949 50 0 ADAARO CCn1c(N)[nH+]c2ccc(F)cc21 52122799 343300431 /nfs/dbraw/zinc/30/04/31/343300431.db2.gz UCRCMDCTLLABSP-UHFFFAOYSA-N 1 0 179.198 1.778 50 0 in-vitro ADAARO C[C@H]1Cc2ccc(F)cc2C[NH2+]1 52095248 343300450 /nfs/dbraw/zinc/30/04/50/343300450.db2.gz XSYJLSHTQMENQP-ZETCQYMHSA-N 1 0 165.211 1.860 50 0 ADAARO CC[C@]1(C(C)C)C[C@@H]1[NH3+] 52126008 343300728 /nfs/dbraw/zinc/30/07/28/343300728.db2.gz RRIYQSZHJKGTEK-JGVFFNPUSA-N 1 0 127.231 1.770 50 0 ADAARO CC[C@@]1(C(C)C)C[C@H]1[NH3+] 52126011 343300621 /nfs/dbraw/zinc/30/06/21/343300621.db2.gz RRIYQSZHJKGTEK-SFYZADRCSA-N 1 0 127.231 1.770 50 0 ADAARO C[C@@]1(c2c(F)cccc2F)C[C@@H]1[NH3+] 52126017 343300665 /nfs/dbraw/zinc/30/06/65/343300665.db2.gz VZZPQSFMQREMFF-WCBMZHEXSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@]1(c2c(F)cccc2F)C[C@H]1[NH3+] 52126018 343300673 /nfs/dbraw/zinc/30/06/73/343300673.db2.gz VZZPQSFMQREMFF-SCZZXKLOSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@@]1(c2ccc(F)cc2F)C[C@@H]1[NH3+] 52126185 343300685 /nfs/dbraw/zinc/30/06/85/343300685.db2.gz DUIBNGGNQUACCM-UWVGGRQHSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@@]1(c2ccc(F)cc2F)C[C@H]1[NH3+] 52126187 343300705 /nfs/dbraw/zinc/30/07/05/343300705.db2.gz DUIBNGGNQUACCM-ZJUUUORDSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@@]1(c2c(F)cccc2F)C[C@H]1[NH3+] 52126019 343300709 /nfs/dbraw/zinc/30/07/09/343300709.db2.gz VZZPQSFMQREMFF-PSASIEDQSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@@]1(c2ccccc2F)C[C@H]1[NH3+] 52126257 343300714 /nfs/dbraw/zinc/30/07/14/343300714.db2.gz GGNQNFVNIBAWPQ-ZJUUUORDSA-N 1 0 165.211 1.814 50 0 in-vitro ADAARO C[C@]1(c2cc(F)ccc2F)C[C@@H]1[NH3+] 52126336 343300724 /nfs/dbraw/zinc/30/07/24/343300724.db2.gz DWMCDWNCRGQBGV-VHSXEESVSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@@]1(c2ccccc2F)C[C@@H]1[NH3+] 52126255 343300727 /nfs/dbraw/zinc/30/07/27/343300727.db2.gz GGNQNFVNIBAWPQ-UWVGGRQHSA-N 1 0 165.211 1.814 50 0 in-vitro ADAARO C[C@]1(c2ccc(F)cc2)C[C@@H]1[NH3+] 52126260 343300736 /nfs/dbraw/zinc/30/07/36/343300736.db2.gz UVZHGHRAAWACNM-VHSXEESVSA-N 1 0 165.211 1.814 50 0 in-vitro ADAARO C[C@]1(c2ccc(F)cc2)C[C@H]1[NH3+] 52126262 343300738 /nfs/dbraw/zinc/30/07/38/343300738.db2.gz UVZHGHRAAWACNM-NXEZZACHSA-N 1 0 165.211 1.814 50 0 in-vitro ADAARO CC[C@]1(C)C[C@H]1[NH3+] 52126098 343300747 /nfs/dbraw/zinc/30/07/47/343300747.db2.gz QKFNHSOEBYDPGI-PHDIDXHHSA-N 1 0 99.177 1.134 50 0 ADAARO C[C@]1(c2ccccc2F)C[C@@H]1[NH3+] 52126254 343300749 /nfs/dbraw/zinc/30/07/49/343300749.db2.gz GGNQNFVNIBAWPQ-VHSXEESVSA-N 1 0 165.211 1.814 50 0 in-vitro ADAARO C[C@]1(c2ccc(F)c(F)c2)C[C@H]1[NH3+] 52126170 343300752 /nfs/dbraw/zinc/30/07/52/343300752.db2.gz CYEXEDSBRZSYHU-NXEZZACHSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@@]1(c2ccc(F)cc2)C[C@@H]1[NH3+] 52126261 343300754 /nfs/dbraw/zinc/30/07/54/343300754.db2.gz UVZHGHRAAWACNM-UWVGGRQHSA-N 1 0 165.211 1.814 50 0 in-vitro ADAARO CC[C@@]1(C)C[C@H]1[NH3+] 52126099 343300766 /nfs/dbraw/zinc/30/07/66/343300766.db2.gz QKFNHSOEBYDPGI-RITPCOANSA-N 1 0 99.177 1.134 50 0 ADAARO C[C@@]1(c2ccc(F)c(F)c2)C[C@@H]1[NH3+] 52126169 343300768 /nfs/dbraw/zinc/30/07/68/343300768.db2.gz CYEXEDSBRZSYHU-UWVGGRQHSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@@]1(c2ccc(F)cc2)C[C@H]1[NH3+] 52126263 343300774 /nfs/dbraw/zinc/30/07/74/343300774.db2.gz UVZHGHRAAWACNM-ZJUUUORDSA-N 1 0 165.211 1.814 50 0 in-vitro ADAARO CC[C@]1(C)C[C@@H]1[NH3+] 52126096 343300779 /nfs/dbraw/zinc/30/07/79/343300779.db2.gz QKFNHSOEBYDPGI-NTSWFWBYSA-N 1 0 99.177 1.134 50 0 ADAARO C[C@]1(c2c(F)cccc2F)C[C@@H]1[NH3+] 52126016 343300796 /nfs/dbraw/zinc/30/07/96/343300796.db2.gz VZZPQSFMQREMFF-WPRPVWTQSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO C[C@]1(c2ccc(F)cc2F)C[C@H]1[NH3+] 52126186 343300804 /nfs/dbraw/zinc/30/08/04/343300804.db2.gz DUIBNGGNQUACCM-NXEZZACHSA-N 1 0 183.201 1.954 50 0 in-vitro ADAARO CC[C@@]1(C(C)C)C[C@@H]1[NH3+] 52126009 343300816 /nfs/dbraw/zinc/30/08/16/343300816.db2.gz RRIYQSZHJKGTEK-YUMQZZPRSA-N 1 0 127.231 1.770 50 0 ADAARO C[C@@]1(c2cccc(F)c2)C[C@H]1[NH3+] 52126383 343301075 /nfs/dbraw/zinc/30/10/75/343301075.db2.gz SNENBAHMGKPYPK-ZJUUUORDSA-N 1 0 165.211 1.814 50 0 in-vitro ADAARO Cc1ccccc1[C@]1(C)C[C@H]1[NH3+] 52126418 343301080 /nfs/dbraw/zinc/30/10/80/343301080.db2.gz FMRRZAORVSUICI-MNOVXSKESA-N 1 0 161.248 1.984 50 0 in-vitro ADAARO C[C@@]1(c2ccccc2)C[C@@H]1[NH3+] 52126357 343301114 /nfs/dbraw/zinc/30/11/14/343301114.db2.gz DZOORLACDVEKJC-UWVGGRQHSA-N 1 0 147.221 1.675 50 0 in-vitro ADAARO C[C@]1(c2ccccc2)C[C@H]1[NH3+] 52126358 343301130 /nfs/dbraw/zinc/30/11/30/343301130.db2.gz DZOORLACDVEKJC-NXEZZACHSA-N 1 0 147.221 1.675 50 0 in-vitro ADAARO C[C@H]([NH3+])CC1CCOCC1 52175632 343301690 /nfs/dbraw/zinc/30/16/90/343301690.db2.gz PTJCOUYZLVVANE-ZETCQYMHSA-N 1 0 143.230 1.150 50 0 in-vitro ADAARO CCc1cccc2c1CC[NH2+]C2 52202553 343301854 /nfs/dbraw/zinc/30/18/54/343301854.db2.gz BIUMAWDGXWJADT-UHFFFAOYSA-N 1 0 161.248 1.895 50 0 ADAARO Cc1cc(CC[NH3+])c(C)n1C 52790595 343307531 /nfs/dbraw/zinc/30/75/31/343307531.db2.gz NHAYESKAGGZSGC-UHFFFAOYSA-N 1 0 152.241 1.143 50 0 in-vitro ADAARO C[C@H]([NH3+])C(=O)c1ccccc1 53165481 343312937 /nfs/dbraw/zinc/31/29/37/343312937.db2.gz PUAQLLVFLMYYJJ-ZETCQYMHSA-N 1 0 149.193 1.217 50 0 biogenic,in-man ADAARO C[C@H](CCc1ccccc1)NC(N)=[NH2+] 53278514 343313810 /nfs/dbraw/zinc/31/38/10/343313810.db2.gz TTXDSHGFQDYPFG-SECBINFHSA-N 1 0 191.278 1.491 50 0 ADAARO C[C@H](NC(N)=[NH2+])c1cccc(Cl)c1 53278532 343313829 /nfs/dbraw/zinc/31/38/29/343313829.db2.gz KLXBWHJKWSQSQL-LURJTMIESA-N 1 0 197.669 1.884 50 0 ADAARO C[NH2+]CCCc1ccccn1 53301954 343314059 /nfs/dbraw/zinc/31/40/59/343314059.db2.gz DJIJZMRJLJLWGR-UHFFFAOYSA-N 1 0 150.225 1.234 50 0 ADAARO C[NH2+]CCNc1ccccc1C 53387775 343314499 /nfs/dbraw/zinc/31/44/99/343314499.db2.gz KVAPNQPWSNOTJA-UHFFFAOYSA-N 1 0 164.252 1.626 50 0 ADAARO C[NH+](C)CC[C@H](O)c1cccc(F)c1 53986460 343316868 /nfs/dbraw/zinc/31/68/68/343316868.db2.gz UHXKJBNUUIZCOC-NSHDSACASA-N 1 0 197.253 1.811 50 0 ADAARO C[NH+](C)CCC(=O)c1cccc(F)c1 53974338 343316992 /nfs/dbraw/zinc/31/69/92/343316992.db2.gz MYIFKPGNLNJEGE-UHFFFAOYSA-N 1 0 195.237 1.960 50 0 ADAARO C[NH+](C)CC[C@@H](O)c1cccc(F)c1 53986461 343317197 /nfs/dbraw/zinc/31/71/97/343317197.db2.gz UHXKJBNUUIZCOC-LLVKDONJSA-N 1 0 197.253 1.811 50 0 ADAARO Cc1cnc(C2CC[NH2+]CC2)s1 54158981 343318997 /nfs/dbraw/zinc/31/89/97/343318997.db2.gz QWPOVXNYRVOVQQ-UHFFFAOYSA-N 1 0 182.292 1.919 50 0 in-vitro ADAARO CCc1cnc(C[NH2+]C)s1 54159043 343319064 /nfs/dbraw/zinc/31/90/64/343319064.db2.gz ALJUOGJXOAGTPY-UHFFFAOYSA-N 1 0 156.254 1.425 50 0 in-vitro ADAARO Cc1cnc([C@H]2CCC[NH2+]C2)s1 54158980 343319145 /nfs/dbraw/zinc/31/91/45/343319145.db2.gz JTFGCOFDZSFVJB-QMMMGPOBSA-N 1 0 182.292 1.919 50 0 in-vitro ADAARO C[C@H](C[NH3+])c1nc2ccccc2o1 54334920 343321202 /nfs/dbraw/zinc/32/12/02/343321202.db2.gz FYGVUVGJGNEHCM-SSDOTTSWSA-N 1 0 176.219 1.890 50 0 ADAARO C[C@H]1C[NH2+]CCN1Cc1ccsc1 54374468 343321988 /nfs/dbraw/zinc/32/19/88/343321988.db2.gz ZJEUEVHNFYVACC-VIFPVBQESA-N 1 0 196.319 1.542 50 0 ADAARO Cc1csc(N2CC[NH2+]C[C@@H]2C)n1 54375243 343322613 /nfs/dbraw/zinc/32/26/13/343322613.db2.gz SJSZICVCNDZNFE-QMMMGPOBSA-N 1 0 197.307 1.250 50 0 in-vitro ADAARO Cc1csc(N2CC[NH2+]C[C@H]2C)n1 54375244 343322785 /nfs/dbraw/zinc/32/27/85/343322785.db2.gz SJSZICVCNDZNFE-MRVPVSSYSA-N 1 0 197.307 1.250 50 0 in-vitro ADAARO CC[C@@H]([NH3+])CSC 54495009 343324961 /nfs/dbraw/zinc/32/49/61/343324961.db2.gz FAAUQMPRGBNDHS-RXMQYKEDSA-N 1 0 119.233 1.087 50 0 in-vitro ADAARO CC[C@H]([NH3+])CSC 54495008 343325212 /nfs/dbraw/zinc/32/52/12/343325212.db2.gz FAAUQMPRGBNDHS-YFKPBYRVSA-N 1 0 119.233 1.087 50 0 in-vitro ADAARO CC(C)n1cnnc1C1CC[NH2+]CC1 54498183 343325438 /nfs/dbraw/zinc/32/54/38/343325438.db2.gz SWGWCGKFUYIGHB-UHFFFAOYSA-N 1 0 194.282 1.326 50 0 in-vitro ADAARO CC(C)n1cnnc1[C@@H]1CCC[NH2+]C1 54498204 343325457 /nfs/dbraw/zinc/32/54/57/343325457.db2.gz MRVFMSVVCABTMK-SECBINFHSA-N 1 0 194.282 1.326 50 0 in-vitro ADAARO CC(C)Cn1cnnc1[C@H]1CCC[NH2+]1 54526256 343325870 /nfs/dbraw/zinc/32/58/70/343325870.db2.gz SKBDKCDTMXYKHI-SECBINFHSA-N 1 0 194.282 1.359 50 0 in-vitro ADAARO CC(C)Cn1cnnc1[C@@H]1CCC[NH2+]1 54526255 343326007 /nfs/dbraw/zinc/32/60/07/343326007.db2.gz SKBDKCDTMXYKHI-VIFPVBQESA-N 1 0 194.282 1.359 50 0 in-vitro ADAARO C[C@@]1(c2cccs2)C[C@H]1C[NH3+] 54587303 343326300 /nfs/dbraw/zinc/32/63/00/343326300.db2.gz VIJZEALGHWQUFF-IONNQARKSA-N 1 0 167.277 1.984 50 0 in-vitro ADAARO C[C@@]1(c2cccs2)C[C@@H]1C[NH3+] 54587300 343326319 /nfs/dbraw/zinc/32/63/19/343326319.db2.gz VIJZEALGHWQUFF-VXNVDRBHSA-N 1 0 167.277 1.984 50 0 in-vitro ADAARO CC(C)[C@@H]1C[C@H]1C[NH3+] 54587185 343326334 /nfs/dbraw/zinc/32/63/34/343326334.db2.gz CQEXROJAJIAKFV-BQBZGAKWSA-N 1 0 113.204 1.237 50 0 ADAARO C[N@@H+]1CCc2nnc(Cl)cc2C1 54930928 343331131 /nfs/dbraw/zinc/33/11/31/343331131.db2.gz VQHJNKZJJQLGKM-UHFFFAOYSA-N 1 0 183.642 1.118 50 0 ADAARO c1ccc2c(c1)CCN2C1C[NH2+]C1 54931371 343331147 /nfs/dbraw/zinc/33/11/47/343331147.db2.gz UUCDJDHIXMHNIF-UHFFFAOYSA-N 1 0 174.247 1.021 50 0 ADAARO CCC(C)(C)OC1C[NH2+]C1 54931697 343331405 /nfs/dbraw/zinc/33/14/05/343331405.db2.gz GDZIYQBCOCCUTD-UHFFFAOYSA-N 1 0 143.230 1.163 50 0 ADAARO c1ccc2c(c1)ncn2C1C[NH2+]C1 54931653 343331440 /nfs/dbraw/zinc/33/14/40/343331440.db2.gz VSGVMRUSUOEIQS-UHFFFAOYSA-N 1 0 173.219 1.181 50 0 ADAARO CN(Cc1ccccc1)C1C[NH2+]C1 54931570 343331469 /nfs/dbraw/zinc/33/14/69/343331469.db2.gz CFEXLGHBDAXYKN-UHFFFAOYSA-N 1 0 176.263 1.090 50 0 in-vitro ADAARO Cc1nc2ccccc2n1C1C[NH2+]C1 54931651 343331535 /nfs/dbraw/zinc/33/15/35/343331535.db2.gz MIAZPBCJEOWQOF-UHFFFAOYSA-N 1 0 187.246 1.489 50 0 ADAARO Cc1cc(C)nc(SC2C[NH2+]C2)n1 54931845 343331978 /nfs/dbraw/zinc/33/19/78/343331978.db2.gz SSGUHDLQTSHHLE-UHFFFAOYSA-N 1 0 195.291 1.157 50 0 ADAARO Cc1nc2cc(C[NH3+])ccc2n1C 54956992 343332143 /nfs/dbraw/zinc/33/21/43/343332143.db2.gz WGRMSEJGFWVFQW-UHFFFAOYSA-N 1 0 175.235 1.340 50 0 ADAARO C[C@](O)(C[NH3+])c1ccc(F)cc1F 55032640 343333684 /nfs/dbraw/zinc/33/36/84/343333684.db2.gz HKPYTXVVEVMTAY-VIFPVBQESA-N 1 0 187.189 1.131 50 0 in-vitro ADAARO CNC(=[NH2+])SCc1ccccn1 55175482 343334517 /nfs/dbraw/zinc/33/45/17/343334517.db2.gz CKEIFVRIXVVGSA-UHFFFAOYSA-N 1 0 181.264 1.469 50 0 ADAARO Cc1ccc(NC[C@@H]2CC[NH2+]C2)nc1 57217710 343336164 /nfs/dbraw/zinc/33/61/64/343336164.db2.gz BRACWWFOQZIZQC-SNVBAGLBSA-N 1 0 191.278 1.411 50 0 in-vitro ADAARO Cc1csc([C@H]2C[NH2+]CCO2)n1 57217667 343336208 /nfs/dbraw/zinc/33/62/08/343336208.db2.gz CUCRHVGVBRIYEP-SSDOTTSWSA-N 1 0 184.264 1.112 50 0 in-vitro ADAARO C[N@@H+]1CCc2ncnc(Cl)c2C1 57217679 343336258 /nfs/dbraw/zinc/33/62/58/343336258.db2.gz DCIOCKZOSWIGRR-UHFFFAOYSA-N 1 0 183.642 1.118 50 0 in-vitro ADAARO CN1CC[NH2+]Cc2ccccc21 57218571 343336676 /nfs/dbraw/zinc/33/66/76/343336676.db2.gz QEHRLRCOYMVAFL-UHFFFAOYSA-N 1 0 162.236 1.226 50 0 in-vitro ADAARO Cc1nc(C[NH3+])nc2ccccc12 57217765 343336686 /nfs/dbraw/zinc/33/66/86/343336686.db2.gz MWEAFCVREVZMSO-UHFFFAOYSA-N 1 0 173.219 1.397 50 0 in-vitro ADAARO CCc1nc([C@H]2CCC[NH2+]C2)no1 57218516 343336718 /nfs/dbraw/zinc/33/67/18/343336718.db2.gz AAOLTPFNNDEBDV-ZETCQYMHSA-N 1 0 181.239 1.099 50 0 ADAARO CCc1nc([C@@H]2CCC[NH2+]C2)no1 57218515 343336734 /nfs/dbraw/zinc/33/67/34/343336734.db2.gz AAOLTPFNNDEBDV-SSDOTTSWSA-N 1 0 181.239 1.099 50 0 ADAARO CC(C)c1nc([C@H]2CCC[NH2+]C2)no1 57218510 343336747 /nfs/dbraw/zinc/33/67/47/343336747.db2.gz QHRQWYQHLSLMOO-QMMMGPOBSA-N 1 0 195.266 1.660 50 0 in-vitro ADAARO CC(C)c1nc([C@@H]2CCC[NH2+]C2)no1 57218509 343336778 /nfs/dbraw/zinc/33/67/78/343336778.db2.gz QHRQWYQHLSLMOO-MRVPVSSYSA-N 1 0 195.266 1.660 50 0 in-vitro ADAARO C[NH+](C)CCCNCc1ccncc1 57322203 343336831 /nfs/dbraw/zinc/33/68/31/343336831.db2.gz KMAISJBXUNWYHY-UHFFFAOYSA-N 1 0 193.294 1.123 50 0 in-vitro ADAARO C[NH+](C)CCCNCc1cccnc1 57360162 343336971 /nfs/dbraw/zinc/33/69/71/343336971.db2.gz CFERMQFPVPIPKJ-UHFFFAOYSA-N 1 0 193.294 1.123 50 0 ADAARO C[C@H]1COC2(CCCC2)C[NH2+]1 57935322 343338061 /nfs/dbraw/zinc/33/80/61/343338061.db2.gz WXJWYVXLSWTVJQ-QMMMGPOBSA-N 1 0 155.241 1.308 50 0 ADAARO Cc1cc2nnn(CC[NH3+])c2cc1C 57832223 343338135 /nfs/dbraw/zinc/33/81/35/343338135.db2.gz DCZMNKURVIUKJN-UHFFFAOYSA-N 1 0 190.250 1.007 50 0 ADAARO C[NH+](C)C=C1C=CC=C1 57988143 343338167 /nfs/dbraw/zinc/33/81/67/343338167.db2.gz UJXXVGXQTXQALL-UHFFFAOYSA-N 1 0 121.183 1.558 50 0 in-vitro ADAARO Cc1ccc(C(=O)[C@@H](C)[NH3+])cc1 58114625 343338878 /nfs/dbraw/zinc/33/88/78/343338878.db2.gz OHULHWHSUJEYIT-MRVPVSSYSA-N 1 0 163.220 1.525 50 0 in-vitro ADAARO CNC(=O)C[N@H+](C)C1CCCCCC1 58203492 343339000 /nfs/dbraw/zinc/33/90/00/343339000.db2.gz PUSPCRKLLFPKEY-UHFFFAOYSA-N 1 0 198.310 1.387 50 0 ADAARO Cc1ccc(C(=O)[C@H](C)[NH3+])cc1 58114629 343339104 /nfs/dbraw/zinc/33/91/04/343339104.db2.gz OHULHWHSUJEYIT-QMMMGPOBSA-N 1 0 163.220 1.525 50 0 in-vitro ADAARO C[C@H]1COCC[N@@H+]1Cc1ccccc1 58210012 343339157 /nfs/dbraw/zinc/33/91/57/343339157.db2.gz GXNBKAFYCHTQPI-NSHDSACASA-N 1 0 191.274 1.907 50 0 ADAARO Cc1nc(N(C)C)sc1CC[NH3+] 58520430 343340470 /nfs/dbraw/zinc/34/04/70/343340470.db2.gz KSOZXLJHJRLKAF-UHFFFAOYSA-N 1 0 185.296 1.019 50 0 in-vitro ADAARO CCC[NH2+]Cc1[nH]cc(C)c(=O)c1C 58823393 343341133 /nfs/dbraw/zinc/34/11/33/343341133.db2.gz PTQWCBQABRKLOO-UHFFFAOYSA-N 1 0 194.278 1.491 50 0 ADAARO CC[C@]1(C)CCC[NH2+]C1 59270623 343343614 /nfs/dbraw/zinc/34/36/14/343343614.db2.gz CGCJUEBKFAMLJR-MRVPVSSYSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO CC[C@@]1(C)CCC[NH2+]C1 59270624 343343661 /nfs/dbraw/zinc/34/36/61/343343661.db2.gz CGCJUEBKFAMLJR-QMMMGPOBSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO CC1(C)CCC[C@]1(C)[NH3+] 59301152 343343702 /nfs/dbraw/zinc/34/37/02/343343702.db2.gz ZCCHMDYEMIBZTP-QMMMGPOBSA-N 1 0 127.231 1.914 50 0 ADAARO CCCC1(C(=O)OC)CC[NH2+]CC1 59270634 343343787 /nfs/dbraw/zinc/34/37/87/343343787.db2.gz AJUVOUMFRPXUHP-UHFFFAOYSA-N 1 0 185.267 1.329 50 0 in-vitro ADAARO CC1(C)CCC[C@@]1(C)[NH3+] 59301150 343343792 /nfs/dbraw/zinc/34/37/92/343343792.db2.gz ZCCHMDYEMIBZTP-MRVPVSSYSA-N 1 0 127.231 1.914 50 0 ADAARO Cc1ccc(C2CC[NH2+]CC2)nc1 59612852 343346017 /nfs/dbraw/zinc/34/60/17/343346017.db2.gz LVSCTTDQRVNYDZ-UHFFFAOYSA-N 1 0 176.263 1.857 50 0 ADAARO Cc1cccc2c1[C@@H]([NH3+])CC2 59699809 343347054 /nfs/dbraw/zinc/34/70/54/343347054.db2.gz ZIOLVQXVKOGSHV-VIFPVBQESA-N 1 0 147.221 1.941 50 0 ADAARO Cc1cccc2c1[C@H]([NH3+])CC2 59699808 343347057 /nfs/dbraw/zinc/34/70/57/343347057.db2.gz ZIOLVQXVKOGSHV-SECBINFHSA-N 1 0 147.221 1.941 50 0 ADAARO CCCn1c(C)cc(C)[n+]1C 59757928 343347465 /nfs/dbraw/zinc/34/74/65/343347465.db2.gz MOBFBESVVHOHDW-UHFFFAOYSA-N 1 0 153.249 1.339 50 0 ADAARO C[NH2+][C@@H]1Cc2ccccc2O[C@@H]1C 60023042 343349482 /nfs/dbraw/zinc/34/94/82/343349482.db2.gz XZVYFMLXHXGBLL-PSASIEDQSA-N 1 0 177.247 1.598 50 0 ADAARO C[NH2+][C@H]1Cc2ccccc2O[C@H]1C 60023045 343349541 /nfs/dbraw/zinc/34/95/41/343349541.db2.gz XZVYFMLXHXGBLL-WPRPVWTQSA-N 1 0 177.247 1.598 50 0 ADAARO C[NH2+][C@H]1Cc2ccccc2O[C@@H]1C 60023044 343349800 /nfs/dbraw/zinc/34/98/00/343349800.db2.gz XZVYFMLXHXGBLL-SCZZXKLOSA-N 1 0 177.247 1.598 50 0 ADAARO C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C 60023043 343349805 /nfs/dbraw/zinc/34/98/05/343349805.db2.gz XZVYFMLXHXGBLL-WCBMZHEXSA-N 1 0 177.247 1.598 50 0 ADAARO Cc1ncccc1[C@@H](C)[NH3+] 60098609 343350439 /nfs/dbraw/zinc/35/04/39/343350439.db2.gz LWIWISPHEYROCV-ZCFIWIBFSA-N 1 0 136.198 1.410 50 0 ADAARO Cc1ncccc1[C@H](C)[NH3+] 60098612 343350702 /nfs/dbraw/zinc/35/07/02/343350702.db2.gz LWIWISPHEYROCV-LURJTMIESA-N 1 0 136.198 1.410 50 0 ADAARO C[C@H](C[NH+](C)C)c1cnccn1 60263795 343352842 /nfs/dbraw/zinc/35/28/42/343352842.db2.gz NOHCNCYWYBZEDT-MRVPVSSYSA-N 1 0 165.240 1.142 50 0 ADAARO C[C@@H](C[NH+](C)C)c1cnccn1 60263792 343353062 /nfs/dbraw/zinc/35/30/62/343353062.db2.gz NOHCNCYWYBZEDT-QMMMGPOBSA-N 1 0 165.240 1.142 50 0 ADAARO C[C@H]1CCC[C@@H]([NH3+])CC1 60311032 343353464 /nfs/dbraw/zinc/35/34/64/343353464.db2.gz SFEOFFIWPWOBFJ-JGVFFNPUSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO C[C@H]1CCC[C@H]([NH3+])CC1 60311028 343353501 /nfs/dbraw/zinc/35/35/01/343353501.db2.gz SFEOFFIWPWOBFJ-YUMQZZPRSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO C[NH2+]C(C)(C)CN1CCCCCC1 61319431 343356083 /nfs/dbraw/zinc/35/60/83/343356083.db2.gz VRKKOEKYAORJII-UHFFFAOYSA-N 1 0 184.327 1.860 50 0 in-vitro ADAARO C[NH2+]C(C)(C)CN1CCCC1 61319406 343356087 /nfs/dbraw/zinc/35/60/87/343356087.db2.gz IIUFQJJPNLENQN-UHFFFAOYSA-N 1 0 156.273 1.080 50 0 ADAARO CN(C)c1ccc(C(N)=[NH2+])c(Cl)c1 61856474 343365741 /nfs/dbraw/zinc/36/57/41/343365741.db2.gz XAMUIIKNMKOFKH-UHFFFAOYSA-N 1 0 197.669 1.690 50 0 ADAARO C[C@H](C(N)=O)[N@H+](C)CC1CCCCC1 61868476 343366184 /nfs/dbraw/zinc/36/61/84/343366184.db2.gz GXOCJACVCNPLGK-SECBINFHSA-N 1 0 198.310 1.372 50 0 ADAARO C[C@@]1([NH3+])CCOc2ccccc21 62215576 343372774 /nfs/dbraw/zinc/37/27/74/343372774.db2.gz XENPBKVMMYRJJK-SNVBAGLBSA-N 1 0 163.220 1.643 50 0 ADAARO C[C@]1([NH3+])CCOc2ccccc21 62215574 343372873 /nfs/dbraw/zinc/37/28/73/343372873.db2.gz XENPBKVMMYRJJK-JTQLQIEISA-N 1 0 163.220 1.643 50 0 ADAARO C[C@H]1CN(C)c2ccccc2C[NH2+]1 62566792 343375173 /nfs/dbraw/zinc/37/51/73/343375173.db2.gz KIHICTSKWSTHEQ-VIFPVBQESA-N 1 0 176.263 1.615 50 0 in-vitro ADAARO CN1CCC[NH2+][C@H](c2ccccc2)C1 62567529 343376057 /nfs/dbraw/zinc/37/60/57/343376057.db2.gz WXGAOXOYHDIOCF-LBPRGKRZSA-N 1 0 190.290 1.653 50 0 ADAARO CC1(C)C[NH2+]CCN1CC(F)(F)F 62567847 343376275 /nfs/dbraw/zinc/37/62/75/343376275.db2.gz YSHOPHVZCRWGNS-UHFFFAOYSA-N 1 0 196.216 1.233 50 0 in-vitro ADAARO CC1(C)CN(C(=O)C(C)(C)C)CC[NH2+]1 62568147 343376316 /nfs/dbraw/zinc/37/63/16/343376316.db2.gz JSNBTGUEYCTDKP-UHFFFAOYSA-N 1 0 198.310 1.243 50 0 in-vitro ADAARO CN1CCC[NH2+][C@@H](c2ccccc2)C1 62567530 343376548 /nfs/dbraw/zinc/37/65/48/343376548.db2.gz WXGAOXOYHDIOCF-GFCCVEGCSA-N 1 0 190.290 1.653 50 0 ADAARO FC(F)(F)[C@@H]1CCC[NH2+]CC1 62716648 343378217 /nfs/dbraw/zinc/37/82/17/343378217.db2.gz BMAQMERQLYXYPV-ZCFIWIBFSA-N 1 0 167.174 1.938 50 0 ADAARO FC(F)(F)[C@H]1CCC[NH2+]CC1 62716647 343378293 /nfs/dbraw/zinc/37/82/93/343378293.db2.gz BMAQMERQLYXYPV-LURJTMIESA-N 1 0 167.174 1.938 50 0 ADAARO CC(C)(C)OC(=O)[C@@]1(C)CCC[NH2+]C1 62870899 343383992 /nfs/dbraw/zinc/38/39/92/343383992.db2.gz UIBCYDGFNSUCQQ-NSHDSACASA-N 1 0 199.294 1.718 50 0 ADAARO CC(C)(C)OC(=O)[C@]1(C)CCC[NH2+]C1 62870900 343384189 /nfs/dbraw/zinc/38/41/89/343384189.db2.gz UIBCYDGFNSUCQQ-LLVKDONJSA-N 1 0 199.294 1.718 50 0 ADAARO Cc1ccc(C2CC[NH2+]CC2)cn1 62948451 343386988 /nfs/dbraw/zinc/38/69/88/343386988.db2.gz SJBKQLWBVLXJGL-UHFFFAOYSA-N 1 0 176.263 1.857 50 0 in-vitro ADAARO Cc1ccc(C2=CC[NH2+]CC2)cn1 62948450 343387423 /nfs/dbraw/zinc/38/74/23/343387423.db2.gz BZVPPEUJUXJDHD-UHFFFAOYSA-N 1 0 174.247 1.767 50 0 in-vitro ADAARO CNC(=[NH2+])CC(C)C 62994476 343395363 /nfs/dbraw/zinc/39/53/63/343395363.db2.gz LMOKNILPCIJDST-UHFFFAOYSA-N 1 0 114.192 1.229 50 0 ADAARO C[NH+](C)Cc1ccc(N)c(F)c1 63011220 343396737 /nfs/dbraw/zinc/39/67/37/343396737.db2.gz VWVZWMONLJPEQH-UHFFFAOYSA-N 1 0 168.215 1.470 50 0 ADAARO C[C@H]1C[NH2+][C@H](c2ccccc2)CO1 63003489 343396794 /nfs/dbraw/zinc/39/67/94/343396794.db2.gz NEQYKFXOOFIYJZ-ONGXEEELSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO C[C@H]1C[NH2+][C@@H](c2ccccc2)CO1 63003491 343396855 /nfs/dbraw/zinc/39/68/55/343396855.db2.gz NEQYKFXOOFIYJZ-GXSJLCMTSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO C[NH+](C)Cc1nc2cc(N)ccc2o1 63011964 343396954 /nfs/dbraw/zinc/39/69/54/343396954.db2.gz UHEGQCHRSZABRL-UHFFFAOYSA-N 1 0 191.234 1.472 50 0 in-vitro ADAARO c1cc(CC2C[NH2+]C2)co1 63046593 343397656 /nfs/dbraw/zinc/39/76/56/343397656.db2.gz VFGCRFMPFDFAOS-UHFFFAOYSA-N 1 0 137.182 1.042 50 0 ADAARO CCCC1([NH3+])CCOCC1 63077170 343401463 /nfs/dbraw/zinc/40/14/63/343401463.db2.gz OGAIXEMGIZIEOC-UHFFFAOYSA-N 1 0 143.230 1.294 50 0 ADAARO CC[C@H]([NH3+])c1cn2ccccc2n1 64038062 343406939 /nfs/dbraw/zinc/40/69/39/343406939.db2.gz DSFAHIHQWKUINJ-QMMMGPOBSA-N 1 0 175.235 1.744 50 0 ADAARO CC[C@@H]([NH3+])c1cn2ccccc2n1 64038065 343406958 /nfs/dbraw/zinc/40/69/58/343406958.db2.gz DSFAHIHQWKUINJ-MRVPVSSYSA-N 1 0 175.235 1.744 50 0 ADAARO O[C@@]1(c2cccc(F)c2)CC[NH2+]C1 64034107 343406970 /nfs/dbraw/zinc/40/69/70/343406970.db2.gz REQRIBDNGWXWFI-JTQLQIEISA-N 1 0 181.210 1.007 50 0 ADAARO CCCC1(C(N)=[NH2+])CCOCC1 64038081 343407111 /nfs/dbraw/zinc/40/71/11/343407111.db2.gz RWSJXXQNSSBQCP-UHFFFAOYSA-N 1 0 170.256 1.519 50 0 ADAARO Cc1cccc2c1[C@H]([NH3+])CCO2 64034169 343407149 /nfs/dbraw/zinc/40/71/49/343407149.db2.gz DSSUVKQMJDZIDG-MRVPVSSYSA-N 1 0 163.220 1.777 50 0 in-vitro ADAARO CC[C@H]([NH3+])c1cn2ccsc2n1 64038068 343407160 /nfs/dbraw/zinc/40/71/60/343407160.db2.gz NRSSYTGBJIWIMD-LURJTMIESA-N 1 0 181.264 1.806 50 0 ADAARO CC[C@@H]([NH3+])c1cn2ccsc2n1 64038069 343407164 /nfs/dbraw/zinc/40/71/64/343407164.db2.gz NRSSYTGBJIWIMD-ZCFIWIBFSA-N 1 0 181.264 1.806 50 0 ADAARO CCc1ccn2cc(CC[NH3+])nc2c1 64038060 343407237 /nfs/dbraw/zinc/40/72/37/343407237.db2.gz XOOSJXQQWXIRIC-UHFFFAOYSA-N 1 0 189.262 1.398 50 0 in-vitro ADAARO O[C@]1(c2cccc(F)c2)CC[NH2+]C1 64034109 343407280 /nfs/dbraw/zinc/40/72/80/343407280.db2.gz REQRIBDNGWXWFI-SNVBAGLBSA-N 1 0 181.210 1.007 50 0 ADAARO CCC(CC)[NH2+][C@@H]1CC(=O)N(CC)C1 65406838 343408339 /nfs/dbraw/zinc/40/83/39/343408339.db2.gz OBHQMRRJGCAHNQ-SNVBAGLBSA-N 1 0 198.310 1.385 50 0 ADAARO C[N@H+](CC(=O)NC1CC1)C1CCCC1 65606401 343408469 /nfs/dbraw/zinc/40/84/69/343408469.db2.gz DHCFJOJHAVUACR-UHFFFAOYSA-N 1 0 196.294 1.139 50 0 ADAARO CCC(CC)[NH2+][C@H]1CC(=O)N(CC)C1 65406839 343408545 /nfs/dbraw/zinc/40/85/45/343408545.db2.gz OBHQMRRJGCAHNQ-JTQLQIEISA-N 1 0 198.310 1.385 50 0 ADAARO Cc1n[nH]c(CC[NH+]2CCCCC2)n1 65385577 343408547 /nfs/dbraw/zinc/40/85/47/343408547.db2.gz YXOVOUYATIAWKD-UHFFFAOYSA-N 1 0 194.282 1.142 50 0 ADAARO Cc1cccc2c1C[NH2+]C2 66055378 343408783 /nfs/dbraw/zinc/40/87/83/343408783.db2.gz YHZHWSFPHDXYBS-UHFFFAOYSA-N 1 0 133.194 1.598 50 0 in-vitro ADAARO Cc1cc(C[NH3+])cnc1Cl 66322825 343409759 /nfs/dbraw/zinc/40/97/59/343409759.db2.gz LOVAISLEGWJHKF-UHFFFAOYSA-N 1 0 156.616 1.502 50 0 in-vitro ADAARO CC1(c2cc[nH]n2)CC[NH2+]CC1 66323464 343409771 /nfs/dbraw/zinc/40/97/71/343409771.db2.gz XSLWRDDYANKOTD-UHFFFAOYSA-N 1 0 165.240 1.051 50 0 ADAARO CC1=[NH+]CCN1Cc1ccccc1 66326048 343409881 /nfs/dbraw/zinc/40/98/81/343409881.db2.gz VHQUSQAWNQDYNA-UHFFFAOYSA-N 1 0 174.247 1.921 50 0 in-vitro ADAARO Cc1cnc(C[NH3+])c(C)c1 66322823 343409892 /nfs/dbraw/zinc/40/98/92/343409892.db2.gz PDCOMACPZBDJAI-UHFFFAOYSA-N 1 0 136.198 1.157 50 0 in-vitro ADAARO Cc1cc(Cl)ncc1C[NH3+] 66322849 343409919 /nfs/dbraw/zinc/40/99/19/343409919.db2.gz CGOBEGIODKIVSZ-UHFFFAOYSA-N 1 0 156.616 1.502 50 0 ADAARO Cc1nnc(C2(C)CC[NH2+]CC2)o1 66323463 343409984 /nfs/dbraw/zinc/40/99/84/343409984.db2.gz ICBYIHLOZGSLLK-UHFFFAOYSA-N 1 0 181.239 1.019 50 0 in-vitro ADAARO Cc1cc(Cl)cnc1C[NH3+] 66322857 343409993 /nfs/dbraw/zinc/40/99/93/343409993.db2.gz IPONZZUBAJZXHM-UHFFFAOYSA-N 1 0 156.616 1.502 50 0 in-vitro ADAARO Cc1nc(C(F)(F)F)c(C[NH3+])s1 66351459 343410364 /nfs/dbraw/zinc/41/03/64/343410364.db2.gz OHBCFZNSHHHITQ-UHFFFAOYSA-N 1 0 196.197 1.929 50 0 ADAARO C[NH2+]C1(C)CCC1 67175927 343410863 /nfs/dbraw/zinc/41/08/63/343410863.db2.gz BRRVPUKFALTISS-UHFFFAOYSA-N 1 0 99.177 1.148 50 0 ADAARO CC1([NH3+])COC2(CCCC2)OC1 67640794 343410661 /nfs/dbraw/zinc/41/06/61/343410661.db2.gz ADIONSGYZXTZLM-UHFFFAOYSA-N 1 0 171.240 1.021 50 0 ADAARO CCc1c[nH]nc1C1CC[NH2+]CC1 67724318 343410831 /nfs/dbraw/zinc/41/08/31/343410831.db2.gz IXHYTVLKDQGAJT-UHFFFAOYSA-N 1 0 179.267 1.439 50 0 ADAARO CC[C@H]([NH3+])c1cn2cccnc2n1 67425333 343410867 /nfs/dbraw/zinc/41/08/67/343410867.db2.gz GJYAXYDFQMNIFZ-ZETCQYMHSA-N 1 0 176.223 1.139 50 0 in-vitro ADAARO CCc1c[nH]nc1[C@@H]1CCC[NH2+]C1 67642076 343410919 /nfs/dbraw/zinc/41/09/19/343410919.db2.gz KYLPWUWFELGMFW-SECBINFHSA-N 1 0 179.267 1.439 50 0 ADAARO CC1([NH3+])COC2(CCCCC2)OC1 67631191 343410927 /nfs/dbraw/zinc/41/09/27/343410927.db2.gz LSJMYPKZMPEZCD-UHFFFAOYSA-N 1 0 185.267 1.411 50 0 ADAARO CC[C@@H]([NH3+])c1cn2cccnc2n1 67425335 343410964 /nfs/dbraw/zinc/41/09/64/343410964.db2.gz GJYAXYDFQMNIFZ-SSDOTTSWSA-N 1 0 176.223 1.139 50 0 in-vitro ADAARO CCc1c[nH]nc1[C@H]1CCC[NH2+]C1 67642078 343410944 /nfs/dbraw/zinc/41/09/44/343410944.db2.gz KYLPWUWFELGMFW-VIFPVBQESA-N 1 0 179.267 1.439 50 0 ADAARO Cc1cccc(C2([NH3+])COC2)c1 67802762 343411255 /nfs/dbraw/zinc/41/12/55/343411255.db2.gz GANCONMRBUYMQJ-UHFFFAOYSA-N 1 0 163.220 1.179 50 0 ADAARO Cc1nc2cc(C[NH3+])ccc2o1 67801457 343411284 /nfs/dbraw/zinc/41/12/84/343411284.db2.gz MROLRVSPODZLCV-UHFFFAOYSA-N 1 0 162.192 1.595 50 0 in-vitro ADAARO Cc1ccc(C2([NH3+])COC2)cc1 67802764 343411288 /nfs/dbraw/zinc/41/12/88/343411288.db2.gz CKIMRKFUSZITAC-UHFFFAOYSA-N 1 0 163.220 1.179 50 0 in-vitro ADAARO Cc1cccc(C[NH3+])c1F 67802879 343411374 /nfs/dbraw/zinc/41/13/74/343411374.db2.gz PTMINSMPNANRIO-UHFFFAOYSA-N 1 0 139.173 1.593 50 0 ADAARO CC(C)n1ncc2c1C[C@H]([NH3+])CC2 68577289 343411595 /nfs/dbraw/zinc/41/15/95/343411595.db2.gz KYHNEDNGQLMOER-SECBINFHSA-N 1 0 179.267 1.280 50 0 in-vitro ADAARO CC(C)n1ncc2c1C[C@@H]([NH3+])CC2 68577287 343411696 /nfs/dbraw/zinc/41/16/96/343411696.db2.gz KYHNEDNGQLMOER-VIFPVBQESA-N 1 0 179.267 1.280 50 0 in-vitro ADAARO Cc1cccc2c(CC[NH3+])cn(C)c12 68576876 343411730 /nfs/dbraw/zinc/41/17/30/343411730.db2.gz DFKIETDRDXWUSE-UHFFFAOYSA-N 1 0 188.274 1.988 50 0 ADAARO Cc1ccc2c(CC[NH3+])cn(C)c2c1 68576864 343411755 /nfs/dbraw/zinc/41/17/55/343411755.db2.gz VEQMEZFYCRYTBG-UHFFFAOYSA-N 1 0 188.274 1.988 50 0 in-vitro ADAARO CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 68577354 343411766 /nfs/dbraw/zinc/41/17/66/343411766.db2.gz LNKAEQDCFIAODV-AEJSXWLSSA-N 1 0 183.295 1.800 50 0 in-vitro ADAARO CC[C@@H]1CCC[C@H]([NH3+])C1 68593493 343412201 /nfs/dbraw/zinc/41/22/01/343412201.db2.gz AYIHVGHQMYIGRH-SFYZADRCSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO CN1CC[NH2+]C2(CCCCC2)C1 68693398 343412607 /nfs/dbraw/zinc/41/26/07/343412607.db2.gz IYJBTTDXFABNJG-UHFFFAOYSA-N 1 0 168.284 1.224 50 0 in-vitro ADAARO CN(C[C@@H]([NH3+])C1CC1)c1ccccc1 68893517 343413286 /nfs/dbraw/zinc/41/32/86/343413286.db2.gz BZLWSIZLIJGBCR-GFCCVEGCSA-N 1 0 190.290 1.860 50 0 ADAARO CC[C@@H]([NH3+])C1CCOCC1 68957047 343417461 /nfs/dbraw/zinc/41/74/61/343417461.db2.gz POHBXKQWGRCETE-MRVPVSSYSA-N 1 0 143.230 1.150 50 0 in-vitro ADAARO C1CC[C@@H](C2CCOCC2)[NH2+]C1 68958723 343417945 /nfs/dbraw/zinc/41/79/45/343417945.db2.gz IPQISOHOWURPDB-JTQLQIEISA-N 1 0 169.268 1.555 50 0 ADAARO C1CC[C@H](C2CCOCC2)[NH2+]C1 68958724 343418099 /nfs/dbraw/zinc/41/80/99/343418099.db2.gz IPQISOHOWURPDB-SNVBAGLBSA-N 1 0 169.268 1.555 50 0 ADAARO Cn1nccc1[C@@H]1CCCC[C@@H]1[NH3+] 69022030 343421954 /nfs/dbraw/zinc/42/19/54/343421954.db2.gz JEOLEPBONRJJMP-BDAKNGLRSA-N 1 0 179.267 1.405 50 0 ADAARO CCn1nccc1C1CC[NH2+]CC1 69024220 343422342 /nfs/dbraw/zinc/42/23/42/343422342.db2.gz UQWSXQRSOUKRHW-UHFFFAOYSA-N 1 0 179.267 1.370 50 0 in-vitro ADAARO CCn1ccnc1C1CC[NH2+]CC1 69031738 343423533 /nfs/dbraw/zinc/42/35/33/343423533.db2.gz BQKVEUZIEIMRML-UHFFFAOYSA-N 1 0 179.267 1.370 50 0 ADAARO CCCNC(=O)[C@H](C)[NH+]1CCCCC1 69350570 343425189 /nfs/dbraw/zinc/42/51/89/343425189.db2.gz VJQFCGONIRGRBN-JTQLQIEISA-N 1 0 198.310 1.387 50 0 ADAARO CCCNC(=O)[C@@H](C)[NH+]1CCCCC1 69350569 343425286 /nfs/dbraw/zinc/42/52/86/343425286.db2.gz VJQFCGONIRGRBN-SNVBAGLBSA-N 1 0 198.310 1.387 50 0 ADAARO C[NH2+][C@@H](C)CC1CC1 69665779 343431226 /nfs/dbraw/zinc/43/12/26/343431226.db2.gz SIJUMONRRVKJQU-LURJTMIESA-N 1 0 113.204 1.394 50 0 ADAARO C[NH2+][C@H](C)CC1CC1 69665781 343431269 /nfs/dbraw/zinc/43/12/69/343431269.db2.gz SIJUMONRRVKJQU-ZCFIWIBFSA-N 1 0 113.204 1.394 50 0 ADAARO CC(C)[C@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 69688806 343435097 /nfs/dbraw/zinc/43/50/97/343435097.db2.gz IYRZNUYJSHNKBA-VHSXEESVSA-N 1 0 198.310 1.228 50 0 ADAARO CC(C)[C@@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 69688804 343435173 /nfs/dbraw/zinc/43/51/73/343435173.db2.gz IYRZNUYJSHNKBA-NXEZZACHSA-N 1 0 198.310 1.228 50 0 ADAARO CC(C)[C@@H]1C[C@H](C[NH3+])CCO1 69857810 343450400 /nfs/dbraw/zinc/45/04/00/343450400.db2.gz HTNALYQLVYDBSI-BDAKNGLRSA-N 1 0 157.257 1.396 50 0 ADAARO CN1CC[C@H]([NH3+])[C@@H]1c1ccccc1 69798869 343442824 /nfs/dbraw/zinc/44/28/24/343442824.db2.gz DLENRPOBIBOYGR-QWRGUYRKSA-N 1 0 176.263 1.391 50 0 in-vitro ADAARO CN1CC[C@H]([NH3+])[C@@H]1c1ccc(F)cc1 69798856 343442842 /nfs/dbraw/zinc/44/28/42/343442842.db2.gz PGLORIOSCWIJBZ-QWRGUYRKSA-N 1 0 194.253 1.530 50 0 in-vitro ADAARO CN1CC[C@@H]([NH3+])[C@@H]1c1ccccc1 69798871 343442891 /nfs/dbraw/zinc/44/28/91/343442891.db2.gz DLENRPOBIBOYGR-MNOVXSKESA-N 1 0 176.263 1.391 50 0 in-vitro ADAARO CN1CC[C@@H]([NH3+])[C@@H]1c1ccc(F)cc1 69798857 343443035 /nfs/dbraw/zinc/44/30/35/343443035.db2.gz PGLORIOSCWIJBZ-MNOVXSKESA-N 1 0 194.253 1.530 50 0 in-vitro ADAARO C[NH2+]Cc1c(F)cc(F)cc1F 69803432 343443760 /nfs/dbraw/zinc/44/37/60/343443760.db2.gz DKXQSUPRYBCNLN-UHFFFAOYSA-N 1 0 175.153 1.823 50 0 ADAARO CC(C)c1c[nH+]ccc1N 69841124 343444227 /nfs/dbraw/zinc/44/42/27/343444227.db2.gz QCXAZPBETOAZBK-UHFFFAOYSA-N 1 0 136.198 1.787 50 0 ADAARO C1C[NH2+][C@H](C[C@H]2CCCO2)C1 69841585 343444523 /nfs/dbraw/zinc/44/45/23/343444523.db2.gz NDVXMXRPJYOFMD-DTWKUNHWSA-N 1 0 155.241 1.308 50 0 ADAARO C1CO[C@H](C[C@H]2CCC[NH2+]2)C1 69841578 343444665 /nfs/dbraw/zinc/44/46/65/343444665.db2.gz NDVXMXRPJYOFMD-BDAKNGLRSA-N 1 0 155.241 1.308 50 0 ADAARO C1C[NH2+][C@H](C[C@@H]2CCCO2)C1 69841580 343444683 /nfs/dbraw/zinc/44/46/83/343444683.db2.gz NDVXMXRPJYOFMD-IUCAKERBSA-N 1 0 155.241 1.308 50 0 ADAARO C1C[NH2+][C@@H](C[C@H]2CCCO2)C1 69841582 343444712 /nfs/dbraw/zinc/44/47/12/343444712.db2.gz NDVXMXRPJYOFMD-RKDXNWHRSA-N 1 0 155.241 1.308 50 0 ADAARO CCC(CC)[C@H]1C[C@H]([NH3+])CCO1 69851049 343448322 /nfs/dbraw/zinc/44/83/22/343448322.db2.gz UHNVXBUVWKYCPX-NXEZZACHSA-N 1 0 171.284 1.929 50 0 in-vitro ADAARO CCC(CC)[C@@H]1C[C@@H]([NH3+])CCO1 69851051 343448454 /nfs/dbraw/zinc/44/84/54/343448454.db2.gz UHNVXBUVWKYCPX-UWVGGRQHSA-N 1 0 171.284 1.929 50 0 in-vitro ADAARO CCC(CC)[C@H]1C[C@@H]([NH3+])CCO1 69851052 343448792 /nfs/dbraw/zinc/44/87/92/343448792.db2.gz UHNVXBUVWKYCPX-VHSXEESVSA-N 1 0 171.284 1.929 50 0 in-vitro ADAARO CC(C)[C@@H]1C[C@@H](C[NH3+])CCO1 69857823 343450340 /nfs/dbraw/zinc/45/03/40/343450340.db2.gz HTNALYQLVYDBSI-IUCAKERBSA-N 1 0 157.257 1.396 50 0 ADAARO CC(C)[C@H]1C[C@H](C[NH3+])CCO1 69857818 343450567 /nfs/dbraw/zinc/45/05/67/343450567.db2.gz HTNALYQLVYDBSI-RKDXNWHRSA-N 1 0 157.257 1.396 50 0 ADAARO C[C@@H]1C[C@@]2(CC[NH2+]C2)CCO1 69898687 343454359 /nfs/dbraw/zinc/45/43/59/343454359.db2.gz LCIIDVSDVUVNDF-RKDXNWHRSA-N 1 0 155.241 1.165 50 0 ADAARO C[C@@H]1C[C@]2(CC[NH2+]C2)CCO1 69898693 343454363 /nfs/dbraw/zinc/45/43/63/343454363.db2.gz LCIIDVSDVUVNDF-BDAKNGLRSA-N 1 0 155.241 1.165 50 0 ADAARO CC1(C)C[C@]2(CC[NH2+]C2)CCO1 69898705 343454383 /nfs/dbraw/zinc/45/43/83/343454383.db2.gz PNQCNQXPOPJLMI-JTQLQIEISA-N 1 0 169.268 1.555 50 0 ADAARO CC1(C)C[C@@]2(CC[NH2+]C2)CCO1 69898702 343454444 /nfs/dbraw/zinc/45/44/44/343454444.db2.gz PNQCNQXPOPJLMI-SNVBAGLBSA-N 1 0 169.268 1.555 50 0 ADAARO C[C@H]1C[C@]2(CC[NH2+]C2)CCO1 69898700 343454466 /nfs/dbraw/zinc/45/44/66/343454466.db2.gz LCIIDVSDVUVNDF-IUCAKERBSA-N 1 0 155.241 1.165 50 0 ADAARO CC(C)Cc1cc[nH+]c(N)c1 69942508 343457903 /nfs/dbraw/zinc/45/79/03/343457903.db2.gz DNJJHRUBJUNVMK-UHFFFAOYSA-N 1 0 150.225 1.862 50 0 ADAARO Cc1ccc(C2=NO[C@@H](C[NH3+])C2)cc1 69978440 343463875 /nfs/dbraw/zinc/46/38/75/343463875.db2.gz WGODSOINPJVQMD-SNVBAGLBSA-N 1 0 190.246 1.447 50 0 in-vitro ADAARO CC(C)(C)C1=NO[C@@H](C[NH3+])C1 69978418 343463893 /nfs/dbraw/zinc/46/38/93/343463893.db2.gz HZTGBWODXRUPLK-ZCFIWIBFSA-N 1 0 156.229 1.136 50 0 ADAARO CC(C)(C)C1=NO[C@H](C[NH3+])C1 69978414 343464010 /nfs/dbraw/zinc/46/40/10/343464010.db2.gz HZTGBWODXRUPLK-LURJTMIESA-N 1 0 156.229 1.136 50 0 ADAARO [NH3+][C@@]1(c2ccccc2)CCCOC1 70012701 343465913 /nfs/dbraw/zinc/46/59/13/343465913.db2.gz QZNIPIHYQVYZAX-NSHDSACASA-N 1 0 177.247 1.651 50 0 ADAARO [NH3+][C@]1(c2ccccc2)CCCOC1 70012704 343465935 /nfs/dbraw/zinc/46/59/35/343465935.db2.gz QZNIPIHYQVYZAX-LLVKDONJSA-N 1 0 177.247 1.651 50 0 ADAARO Cc1cnccc1O[C@H]1CCC[NH2+]C1 70047836 343470112 /nfs/dbraw/zinc/47/01/12/343470112.db2.gz QCESIKLGLFAKMM-JTQLQIEISA-N 1 0 192.262 1.521 50 0 ADAARO Cc1cnccc1OC1CC[NH2+]CC1 70047807 343470120 /nfs/dbraw/zinc/47/01/20/343470120.db2.gz BENWPBPEOIGGIL-UHFFFAOYSA-N 1 0 192.262 1.521 50 0 in-vitro ADAARO Cc1cnccc1O[C@@H]1CCC[NH2+]C1 70047834 343470125 /nfs/dbraw/zinc/47/01/25/343470125.db2.gz QCESIKLGLFAKMM-SNVBAGLBSA-N 1 0 192.262 1.521 50 0 ADAARO Cc1cnccc1O[C@H]1CC[NH2+]C1 70047817 343470233 /nfs/dbraw/zinc/47/02/33/343470233.db2.gz ZGMYQZZRALWCSA-VIFPVBQESA-N 1 0 178.235 1.131 50 0 ADAARO Cc1c[nH+]ccc1-n1ccnc1 70048278 343470270 /nfs/dbraw/zinc/47/02/70/343470270.db2.gz WFQSOHCSXCHFHH-UHFFFAOYSA-N 1 0 159.192 1.576 50 0 ADAARO Cc1cnccc1O[C@@H]1CC[NH2+]C1 70047816 343470291 /nfs/dbraw/zinc/47/02/91/343470291.db2.gz ZGMYQZZRALWCSA-SECBINFHSA-N 1 0 178.235 1.131 50 0 ADAARO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH2+]1 70075685 343473873 /nfs/dbraw/zinc/47/38/73/343473873.db2.gz UROKQCLJTIMWCD-IUCAKERBSA-N 1 0 198.310 1.241 50 0 ADAARO C[C@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH2+]1 70075684 343474016 /nfs/dbraw/zinc/47/40/16/343474016.db2.gz UROKQCLJTIMWCD-DTORHVGOSA-N 1 0 198.310 1.241 50 0 ADAARO CCc1nc([C@@H]2CCC[NH2+]2)no1 70144090 343474395 /nfs/dbraw/zinc/47/43/95/343474395.db2.gz PQCIDCRGPNBLBJ-LURJTMIESA-N 1 0 167.212 1.057 50 0 in-vitro ADAARO CCc1nc([C@H]2CCC[NH2+]2)no1 70144092 343474404 /nfs/dbraw/zinc/47/44/04/343474404.db2.gz PQCIDCRGPNBLBJ-ZCFIWIBFSA-N 1 0 167.212 1.057 50 0 in-vitro ADAARO CC(C)c1nc([C@H]2CCC[NH2+]2)no1 70158429 343475510 /nfs/dbraw/zinc/47/55/10/343475510.db2.gz WKTDGUSTKNDUEI-SSDOTTSWSA-N 1 0 181.239 1.618 50 0 in-vitro ADAARO CC(C)c1nc([C@@H]2CCC[NH2+]2)no1 70158428 343475879 /nfs/dbraw/zinc/47/58/79/343475879.db2.gz WKTDGUSTKNDUEI-ZETCQYMHSA-N 1 0 181.239 1.618 50 0 in-vitro ADAARO NC(=[NH2+])NCc1ccc(Cl)s1 70212791 343479286 /nfs/dbraw/zinc/47/92/86/343479286.db2.gz KQSVXGYFUDZTDB-UHFFFAOYSA-N 1 0 189.671 1.385 50 0 ADAARO CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 70227665 343482661 /nfs/dbraw/zinc/48/26/61/343482661.db2.gz GOINMHJWEKJPKS-SNVBAGLBSA-N 1 0 198.310 1.245 50 0 ADAARO C[C@H]1C[C@@H](CC[NH3+])CCO1 70535224 343489557 /nfs/dbraw/zinc/48/95/57/343489557.db2.gz XXBCFFVCEMIJMF-YUMQZZPRSA-N 1 0 143.230 1.150 50 0 in-vitro ADAARO CCn1ccnc1[C@H]1CCCC[NH2+]1 70543317 343489685 /nfs/dbraw/zinc/48/96/85/343489685.db2.gz ZZBRRMLCIOUCRG-SECBINFHSA-N 1 0 179.267 1.718 50 0 ADAARO CC1(C)CCCN(CC[NH3+])C1 70559414 343490137 /nfs/dbraw/zinc/49/01/37/343490137.db2.gz AEJMMXIKIPYVAY-UHFFFAOYSA-N 1 0 156.273 1.067 50 0 in-vitro ADAARO Cc1ccc([C@H]2CSCC[NH2+]2)o1 70587965 343498429 /nfs/dbraw/zinc/49/84/29/343498429.db2.gz VGIHRALKSXBBGQ-MRVPVSSYSA-N 1 0 183.276 1.966 50 0 in-vitro ADAARO Cc1ccc([C@@H]2CSCC[NH2+]2)o1 70587964 343498788 /nfs/dbraw/zinc/49/87/88/343498788.db2.gz VGIHRALKSXBBGQ-QMMMGPOBSA-N 1 0 183.276 1.966 50 0 in-vitro ADAARO CC(C)[C@@H]1CCC[N@H+](CCN)CC1 70612899 343502458 /nfs/dbraw/zinc/50/24/58/343502458.db2.gz BXJKWVMFUININC-LLVKDONJSA-N 1 0 184.327 1.703 50 0 ADAARO CC(C)[C@H]1CCC[N@H+](CCN)CC1 70612900 343502509 /nfs/dbraw/zinc/50/25/09/343502509.db2.gz BXJKWVMFUININC-NSHDSACASA-N 1 0 184.327 1.703 50 0 ADAARO C[C@H]1CC[C@@]2(CC[NH2+]C2)C1 70621850 343505018 /nfs/dbraw/zinc/50/50/18/343505018.db2.gz RBDQSWLPPHOXEI-DTWKUNHWSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO CC[C@H]1CCC[C@](O)(C[NH3+])C1 70621913 343505109 /nfs/dbraw/zinc/50/51/09/343505109.db2.gz JGBZVFRUGAMIFA-DTWKUNHWSA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO CC[C@H]1CCC[C@@](O)(C[NH3+])C1 70621915 343505154 /nfs/dbraw/zinc/50/51/54/343505154.db2.gz JGBZVFRUGAMIFA-IUCAKERBSA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO C[C@H]1CC[C@]2(CC[NH2+]C2)C1 70621848 343505305 /nfs/dbraw/zinc/50/53/05/343505305.db2.gz RBDQSWLPPHOXEI-IUCAKERBSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO C[C@H]1CC[C@H](C[NH3+])C1 70621821 343505339 /nfs/dbraw/zinc/50/53/39/343505339.db2.gz KVGLUIXQRLCKPF-BQBZGAKWSA-N 1 0 113.204 1.381 50 0 in-vitro ADAARO Cc1cc(F)cc2c1C[NH2+]CC2 70622184 343505563 /nfs/dbraw/zinc/50/55/63/343505563.db2.gz ASABANRQIBDQRA-UHFFFAOYSA-N 1 0 165.211 1.780 50 0 in-vitro ADAARO CCc1ccc2c(c1)CC[NH2+]C2 70622181 343505577 /nfs/dbraw/zinc/50/55/77/343505577.db2.gz YHRQYEUTUFPNKY-UHFFFAOYSA-N 1 0 161.248 1.895 50 0 ADAARO C[C@@H]1Cc2cc(F)ccc2C[NH2+]1 70622354 343505604 /nfs/dbraw/zinc/50/56/04/343505604.db2.gz TUEXXTSIIMXLSL-SSDOTTSWSA-N 1 0 165.211 1.860 50 0 ADAARO CCc1cccc2c1C[NH2+]CC2 70622180 343505859 /nfs/dbraw/zinc/50/58/59/343505859.db2.gz NZHXNXKDRZHWNE-UHFFFAOYSA-N 1 0 161.248 1.895 50 0 ADAARO C[C@H]1Cc2cc(F)ccc2C[NH2+]1 70622355 343505890 /nfs/dbraw/zinc/50/58/90/343505890.db2.gz TUEXXTSIIMXLSL-ZETCQYMHSA-N 1 0 165.211 1.860 50 0 ADAARO CC1(C)CCC(O)(C[NH3+])CC1 70623270 343506229 /nfs/dbraw/zinc/50/62/29/343506229.db2.gz IGNIQYQEYLIVJD-UHFFFAOYSA-N 1 0 157.257 1.276 50 0 ADAARO CC[C@H](COC)[NH2+]Cc1ccco1 70623598 343506959 /nfs/dbraw/zinc/50/69/59/343506959.db2.gz PYIKSJZHYISBCT-SECBINFHSA-N 1 0 183.251 1.794 50 0 ADAARO CC[C@@H](COC)[NH2+]Cc1ccco1 70623597 343506962 /nfs/dbraw/zinc/50/69/62/343506962.db2.gz PYIKSJZHYISBCT-VIFPVBQESA-N 1 0 183.251 1.794 50 0 ADAARO C[C@H](C[NH3+])N(C)C(=O)OC(C)(C)C 70626841 343507084 /nfs/dbraw/zinc/50/70/84/343507084.db2.gz NVUWUDUEKXDLAG-SSDOTTSWSA-N 1 0 188.271 1.201 50 0 in-vitro ADAARO CCCCCn1cc(C[NH3+])c(C)n1 70630901 343510314 /nfs/dbraw/zinc/51/03/14/343510314.db2.gz DIBCJYZOTSEKAD-UHFFFAOYSA-N 1 0 181.283 1.840 50 0 in-vitro ADAARO CCCCn1cc(C[NH3+])c(C)n1 70630906 343510645 /nfs/dbraw/zinc/51/06/45/343510645.db2.gz WERXCMXLYRJFJM-UHFFFAOYSA-N 1 0 167.256 1.450 50 0 in-vitro ADAARO C[C@H]1[NH2+]CCC[C@@H]1C(F)(F)F 70632692 343510684 /nfs/dbraw/zinc/51/06/84/343510684.db2.gz ZIAWRZNFUGPXRN-RITPCOANSA-N 1 0 167.174 1.937 50 0 in-vitro ADAARO C[C@H]1[NH2+]CCC[C@H]1C(F)(F)F 70632688 343510801 /nfs/dbraw/zinc/51/08/01/343510801.db2.gz ZIAWRZNFUGPXRN-PHDIDXHHSA-N 1 0 167.174 1.937 50 0 in-vitro ADAARO C[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1 70632664 343511122 /nfs/dbraw/zinc/51/11/22/343511122.db2.gz XYPLIXZKIGGOEU-WDSKDSINSA-N 1 0 167.174 1.937 50 0 in-vitro ADAARO [NH3+][C@@H]1CCC[C@@H]1C1CC1 70635159 343511662 /nfs/dbraw/zinc/51/16/62/343511662.db2.gz TVCRJNLSLIBAMF-HTQZYQBOSA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+][C@H]1CCC[C@H]1C1CC1 70635163 343511750 /nfs/dbraw/zinc/51/17/50/343511750.db2.gz TVCRJNLSLIBAMF-YUMQZZPRSA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+][C@H]1CCC[C@@H]1C1CC1 70635162 343511794 /nfs/dbraw/zinc/51/17/94/343511794.db2.gz TVCRJNLSLIBAMF-SFYZADRCSA-N 1 0 125.215 1.524 50 0 ADAARO C[C@H]([NH3+])CCC1CC1 70636287 343511827 /nfs/dbraw/zinc/51/18/27/343511827.db2.gz YKPKQABTMNSWPD-LURJTMIESA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO [NH3+][C@@H]1CCC[C@H]1C1CC1 70635161 343511837 /nfs/dbraw/zinc/51/18/37/343511837.db2.gz TVCRJNLSLIBAMF-JGVFFNPUSA-N 1 0 125.215 1.524 50 0 ADAARO Cc1ccc(CCC[NH3+])cn1 70636179 343511870 /nfs/dbraw/zinc/51/18/70/343511870.db2.gz RXCPNSZZTUSKGE-UHFFFAOYSA-N 1 0 150.225 1.281 50 0 in-vitro ADAARO C[C@H]1CC[C@@H](CC[NH3+])C1 70651538 343519158 /nfs/dbraw/zinc/51/91/58/343519158.db2.gz IFILSKFJODFDCQ-YUMQZZPRSA-N 1 0 127.231 1.771 50 0 ADAARO C[C@@H]1CC[C@H](CC[NH3+])C1 70651535 343519171 /nfs/dbraw/zinc/51/91/71/343519171.db2.gz IFILSKFJODFDCQ-HTQZYQBOSA-N 1 0 127.231 1.771 50 0 ADAARO CC(C)OCC(C)(C)[NH3+] 70651532 343519296 /nfs/dbraw/zinc/51/92/96/343519296.db2.gz GNECDGRVHMCXGT-UHFFFAOYSA-N 1 0 131.219 1.149 50 0 ADAARO C[C@@H]1CC[C@@H](CC[NH3+])C1 70651537 343519374 /nfs/dbraw/zinc/51/93/74/343519374.db2.gz IFILSKFJODFDCQ-SFYZADRCSA-N 1 0 127.231 1.771 50 0 ADAARO C[C@H]1CC[C@H](CC[NH3+])C1 70651536 343519513 /nfs/dbraw/zinc/51/95/13/343519513.db2.gz IFILSKFJODFDCQ-JGVFFNPUSA-N 1 0 127.231 1.771 50 0 ADAARO COC(=O)[C@]1([NH3+])CCCC(C)(C)C1 70683911 343524269 /nfs/dbraw/zinc/52/42/69/343524269.db2.gz UGWIMKJLBLTDCX-JTQLQIEISA-N 1 0 185.267 1.457 50 0 ADAARO COC(=O)[C@@]1([NH3+])CCCC(C)(C)C1 70683908 343524448 /nfs/dbraw/zinc/52/44/48/343524448.db2.gz UGWIMKJLBLTDCX-SNVBAGLBSA-N 1 0 185.267 1.457 50 0 ADAARO CC[C@](C)(CO)[NH2+]Cc1cccnc1 70710547 343526532 /nfs/dbraw/zinc/52/65/32/343526532.db2.gz WTAYGWGMLDSKGT-LLVKDONJSA-N 1 0 194.278 1.332 50 0 ADAARO CC[C@@](C)(CO)[NH2+]Cc1cccnc1 70710544 343526568 /nfs/dbraw/zinc/52/65/68/343526568.db2.gz WTAYGWGMLDSKGT-NSHDSACASA-N 1 0 194.278 1.332 50 0 ADAARO [NH3+]CCSCCC(F)(F)F 70913874 343541346 /nfs/dbraw/zinc/54/13/46/343541346.db2.gz BXARFLMCNMCPMP-UHFFFAOYSA-N 1 0 173.203 1.631 50 0 in-vitro ADAARO OC1(CCC(F)(F)F)CC[NH2+]CC1 70916984 343542012 /nfs/dbraw/zinc/54/20/12/343542012.db2.gz LHOFEKIBQZIANZ-UHFFFAOYSA-N 1 0 197.200 1.443 50 0 ADAARO Cc1cc(C)nc([C@H]2CCCC[NH2+]2)n1 70946816 343542351 /nfs/dbraw/zinc/54/23/51/343542351.db2.gz NWXVJQSBHIWYRO-SNVBAGLBSA-N 1 0 191.278 1.908 50 0 ADAARO Cc1cc(C)nc([C@@H]2CCCC[NH2+]2)n1 70946813 343542571 /nfs/dbraw/zinc/54/25/71/343542571.db2.gz NWXVJQSBHIWYRO-JTQLQIEISA-N 1 0 191.278 1.908 50 0 ADAARO Cc1ccnc([C@H]([NH3+])C2CC2)n1 70948542 343542776 /nfs/dbraw/zinc/54/27/76/343542776.db2.gz AMNKLDDMPPPAHE-MRVPVSSYSA-N 1 0 163.224 1.195 50 0 ADAARO Cc1ccnc([C@@H]([NH3+])C2CC2)n1 70948547 343543144 /nfs/dbraw/zinc/54/31/44/343543144.db2.gz AMNKLDDMPPPAHE-QMMMGPOBSA-N 1 0 163.224 1.195 50 0 ADAARO CC[C@](C)([NH3+])c1ncccn1 70948719 343543156 /nfs/dbraw/zinc/54/31/56/343543156.db2.gz KKPXUKAGICIJBH-QMMMGPOBSA-N 1 0 151.213 1.061 50 0 ADAARO Cc1cccnc1C(C)(C)C[NH3+] 71256057 343551085 /nfs/dbraw/zinc/55/10/85/343551085.db2.gz UEJJYNPYYHBIGU-UHFFFAOYSA-N 1 0 164.252 1.626 50 0 in-vitro ADAARO Cc1ccc(C(C)(C)C[NH3+])nc1 71256053 343551187 /nfs/dbraw/zinc/55/11/87/343551187.db2.gz WKKULGLCNMYBSI-UHFFFAOYSA-N 1 0 164.252 1.626 50 0 in-vitro ADAARO Cc1cccc(C(C)(C)C[NH3+])n1 71256052 343551467 /nfs/dbraw/zinc/55/14/67/343551467.db2.gz DVTRAVZQRNPLLP-UHFFFAOYSA-N 1 0 164.252 1.626 50 0 ADAARO Cc1[nH+]ccc(N)c1Br 71255421 343551534 /nfs/dbraw/zinc/55/15/34/343551534.db2.gz ZMQJEWNCZJALJI-UHFFFAOYSA-N 1 0 187.040 1.735 50 0 ADAARO C[C@H]1CC[C@H](C)C1[NH3+] 71257423 343551732 /nfs/dbraw/zinc/55/17/32/343551732.db2.gz VUYIFCKJOLEHPV-WDSKDSINSA-N 1 0 113.204 1.380 50 0 in-vitro ADAARO Cc1cc([C@@](C)(O)C[NH3+])c(C)o1 71372341 343552187 /nfs/dbraw/zinc/55/21/87/343552187.db2.gz IBRCIFMMJKHDPF-VIFPVBQESA-N 1 0 169.224 1.063 50 0 in-vitro ADAARO C[S@](=O)C[C@@H]([NH3+])c1ccccc1 71373318 343552200 /nfs/dbraw/zinc/55/22/00/343552200.db2.gz XYQCUGXQYRHLAX-BXKDBHETSA-N 1 0 183.276 1.065 50 0 ADAARO CCc1ccc([C@H]([NH3+])COC)o1 71372456 343552210 /nfs/dbraw/zinc/55/22/10/343552210.db2.gz AHABYWDFQTYDSP-MRVPVSSYSA-N 1 0 169.224 1.488 50 0 in-vitro ADAARO CC1(C)CCC[NH2+]CC1 71372513 343552226 /nfs/dbraw/zinc/55/22/26/343552226.db2.gz UVGRQCORQQWAMY-UHFFFAOYSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO CC[C@](C)(CCC[NH3+])C1OCCO1 71372371 343552276 /nfs/dbraw/zinc/55/22/76/343552276.db2.gz AEBJQGIHPKWGRJ-SNVBAGLBSA-N 1 0 187.283 1.515 50 0 in-vitro ADAARO C[C@H]1C[C@H]([NH3+])C(=O)N1c1ccccc1 71373526 343552280 /nfs/dbraw/zinc/55/22/80/343552280.db2.gz XGXDBLPZUSKNSA-WPRPVWTQSA-N 1 0 190.246 1.139 50 0 in-vitro ADAARO Cc1ccc(CC[C@H](C)[NH3+])o1 71373514 343552290 /nfs/dbraw/zinc/55/22/90/343552290.db2.gz RAZBKHHKSWNZLX-ZETCQYMHSA-N 1 0 153.225 1.868 50 0 in-vitro ADAARO CC1(C)[C@H]2OCCC[C@H]2[C@H]1[NH3+] 71372489 343552341 /nfs/dbraw/zinc/55/23/41/343552341.db2.gz HAFAIAKOQFPEKK-RNJXMRFFSA-N 1 0 155.241 1.149 50 0 in-vitro ADAARO C[C@H]1CCC[C@@H](C)[NH2+]C1 71372503 343552358 /nfs/dbraw/zinc/55/23/58/343552358.db2.gz VLFIHSMLNPGTQG-JGVFFNPUSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO Cc1cc(C[NH3+])sc1C 71372390 343552396 /nfs/dbraw/zinc/55/23/96/343552396.db2.gz DFDNXKUTNOOVNR-UHFFFAOYSA-N 1 0 141.239 1.824 50 0 in-vitro ADAARO CCc1ccc([C@@H]([NH3+])COC)o1 71372457 343552408 /nfs/dbraw/zinc/55/24/08/343552408.db2.gz AHABYWDFQTYDSP-QMMMGPOBSA-N 1 0 169.224 1.488 50 0 in-vitro ADAARO C[C@H]1CCC[C@H](C)[NH2+]C1 71372501 343552480 /nfs/dbraw/zinc/55/24/80/343552480.db2.gz VLFIHSMLNPGTQG-YUMQZZPRSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO C[C@H]1CCC[C@@H](C)C[NH2+]1 71372500 343552483 /nfs/dbraw/zinc/55/24/83/343552483.db2.gz VLFIHSMLNPGTQG-SFYZADRCSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO CC1(C)[C@H]2OCCC[C@@H]2[C@H]1[NH3+] 71372487 343552493 /nfs/dbraw/zinc/55/24/93/343552493.db2.gz HAFAIAKOQFPEKK-PRJMDXOYSA-N 1 0 155.241 1.149 50 0 in-vitro ADAARO CCCC1(C[NH3+])CC1 71482993 343553376 /nfs/dbraw/zinc/55/33/76/343553376.db2.gz MOPQSUSRXWYFIU-UHFFFAOYSA-N 1 0 113.204 1.525 50 0 in-vitro ADAARO CC[C@H]1[NH2+]CCc2nc[nH]c21 71478800 343553479 /nfs/dbraw/zinc/55/34/79/343553479.db2.gz RVRGWEYCNVKOQT-ZCFIWIBFSA-N 1 0 151.213 1.007 50 0 in-vitro ADAARO CC[C@@H]1[NH2+]CCc2nc[nH]c21 71478801 343553606 /nfs/dbraw/zinc/55/36/06/343553606.db2.gz RVRGWEYCNVKOQT-LURJTMIESA-N 1 0 151.213 1.007 50 0 in-vitro ADAARO CC[C@@H]([NH2+]C)C(=O)c1ccccc1 71497307 343554489 /nfs/dbraw/zinc/55/44/89/343554489.db2.gz DDPMGIMJSRUULN-SNVBAGLBSA-N 1 0 177.247 1.867 50 0 in-vitro ADAARO CC[C@H]([NH2+]C)C(=O)c1ccccc1 71497305 343554574 /nfs/dbraw/zinc/55/45/74/343554574.db2.gz DDPMGIMJSRUULN-JTQLQIEISA-N 1 0 177.247 1.867 50 0 in-vitro ADAARO Cc1ccc([C@H](C[NH3+])CO)cc1 71495876 343554680 /nfs/dbraw/zinc/55/46/80/343554680.db2.gz CVHLUXUZXPVWQG-SNVBAGLBSA-N 1 0 165.236 1.030 50 0 ADAARO CC1(c2ccccc2F)C[NH2+]C1 71495850 343554698 /nfs/dbraw/zinc/55/46/98/343554698.db2.gz KYEPLZDBDMICJR-UHFFFAOYSA-N 1 0 165.211 1.687 50 0 in-vitro ADAARO CCc1ccc(CNC(N)=[NH2+])cc1 71497342 343554725 /nfs/dbraw/zinc/55/47/25/343554725.db2.gz OLFMAOLZMYPBCS-UHFFFAOYSA-N 1 0 177.251 1.232 50 0 ADAARO Cc1cccc([C@@]2(O)CCC[NH2+]C2)c1 71505935 343555033 /nfs/dbraw/zinc/55/50/33/343555033.db2.gz NKVPDCFTLZCIIE-GFCCVEGCSA-N 1 0 191.274 1.566 50 0 ADAARO Cc1cccc([C@]2(O)CCC[NH2+]C2)c1 71505934 343555174 /nfs/dbraw/zinc/55/51/74/343555174.db2.gz NKVPDCFTLZCIIE-LBPRGKRZSA-N 1 0 191.274 1.566 50 0 ADAARO NC(=[NH2+])NCCCCc1ccccc1 71505999 343555872 /nfs/dbraw/zinc/55/58/72/343555872.db2.gz MMNBVOHENPBWSF-UHFFFAOYSA-N 1 0 191.278 1.492 50 0 ADAARO C[C@H]([NH3+])CN(C)C(=O)OC(C)(C)C 71618830 343557087 /nfs/dbraw/zinc/55/70/87/343557087.db2.gz QWQQJKYSTUZVDK-ZETCQYMHSA-N 1 0 188.271 1.201 50 0 ADAARO CC[C@@H]1CC[C@@H](C)[N@H+](CCC[NH3+])C1 71773314 343557406 /nfs/dbraw/zinc/55/74/06/343557406.db2.gz QYXCDNMLYSGHSF-GHMZBOCLSA-N 1 0 184.327 1.846 50 0 ADAARO CC(C)[NH+](C[C@@H](C)O)C(C)C 71773040 343557468 /nfs/dbraw/zinc/55/74/68/343557468.db2.gz IPWSGYSCKAXGQD-SECBINFHSA-N 1 0 159.273 1.486 50 0 ADAARO CC[C@@H]1CC[C@H](C)[N@H+](CCC[NH3+])C1 71773312 343557558 /nfs/dbraw/zinc/55/75/58/343557558.db2.gz QYXCDNMLYSGHSF-WDEREUQCSA-N 1 0 184.327 1.846 50 0 ADAARO CC[C@H]1CC[C@@H](C)[N@H+](CCC[NH3+])C1 71773315 343557618 /nfs/dbraw/zinc/55/76/18/343557618.db2.gz QYXCDNMLYSGHSF-MNOVXSKESA-N 1 0 184.327 1.846 50 0 ADAARO CC[C@H]1CC[C@H](C)[N@H+](CCC[NH3+])C1 71773313 343557631 /nfs/dbraw/zinc/55/76/31/343557631.db2.gz QYXCDNMLYSGHSF-QWRGUYRKSA-N 1 0 184.327 1.846 50 0 ADAARO CC(C)[NH+](C[C@H](C)O)C(C)C 71773041 343557677 /nfs/dbraw/zinc/55/76/77/343557677.db2.gz IPWSGYSCKAXGQD-VIFPVBQESA-N 1 0 159.273 1.486 50 0 ADAARO C[N@@H+]1CC[C@]2(O)CC=CC[C@@H]2C1 71774199 343557853 /nfs/dbraw/zinc/55/78/53/343557853.db2.gz WQCBUTKYOJXQGG-NXEZZACHSA-N 1 0 167.252 1.019 50 0 ADAARO C[N@@H+]1CC[C@@]2(O)CC=CC[C@@H]2C1 71774200 343558132 /nfs/dbraw/zinc/55/81/32/343558132.db2.gz WQCBUTKYOJXQGG-ZJUUUORDSA-N 1 0 167.252 1.019 50 0 ADAARO CC[C@@H]1C[C@H](C)C[NH2+]1 71790864 343558699 /nfs/dbraw/zinc/55/86/99/343558699.db2.gz NJSAPHBUGZJARM-NKWVEPMBSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CCC(CC)(C[NH3+])SC 71790420 343558708 /nfs/dbraw/zinc/55/87/08/343558708.db2.gz QGDWWSHGPZGFCQ-UHFFFAOYSA-N 1 0 147.287 1.867 50 0 in-vitro ADAARO CC(C)[C@@H]1C[NH2+]CCS1 71790758 343558716 /nfs/dbraw/zinc/55/87/16/343558716.db2.gz PZXQCEVMESPTFU-ZETCQYMHSA-N 1 0 145.271 1.347 50 0 in-vitro ADAARO C[C@H]1C[C@@H]([NH3+])CN1c1ccccc1 71790383 343558736 /nfs/dbraw/zinc/55/87/36/343558736.db2.gz LKYAKEWXEUZGHO-VHSXEESVSA-N 1 0 176.263 1.613 50 0 in-vitro ADAARO CC(C)c1ncc2c(n1)C[NH2+]CC2 71790932 343558763 /nfs/dbraw/zinc/55/87/63/343558763.db2.gz RIROIUAESHCJKY-UHFFFAOYSA-N 1 0 177.251 1.246 50 0 in-vitro ADAARO CC[C@H]1C[C@H](C)C[NH2+]1 71790865 343558785 /nfs/dbraw/zinc/55/87/85/343558785.db2.gz NJSAPHBUGZJARM-BQBZGAKWSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CC[C@@H]1C[C@@H](C)C[NH2+]1 71790866 343558794 /nfs/dbraw/zinc/55/87/94/343558794.db2.gz NJSAPHBUGZJARM-RNFRBKRXSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[C@H]1C[NH2+][C@H]1c1ccccc1 71790488 343558822 /nfs/dbraw/zinc/55/88/22/343558822.db2.gz ADXUADGJFQCUSH-WCBMZHEXSA-N 1 0 147.221 1.967 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cccc(-n2ccnc2)c1 71790721 343558840 /nfs/dbraw/zinc/55/88/40/343558840.db2.gz IXPMKBMVQBDDBE-VIFPVBQESA-N 1 0 187.246 1.892 50 0 in-vitro ADAARO C[C@H]1C[NH2+][C@@H]1c1ccccc1 71790486 343558889 /nfs/dbraw/zinc/55/88/89/343558889.db2.gz ADXUADGJFQCUSH-WPRPVWTQSA-N 1 0 147.221 1.967 50 0 in-vitro ADAARO CCC(CC)(C[NH3+])CCO 71790879 343558946 /nfs/dbraw/zinc/55/89/46/343558946.db2.gz IYRSAUJAPLRGIJ-UHFFFAOYSA-N 1 0 145.246 1.134 50 0 in-vitro ADAARO CC[C@H]1C[C@@H](C)C[NH2+]1 71790867 343558951 /nfs/dbraw/zinc/55/89/51/343558951.db2.gz NJSAPHBUGZJARM-RQJHMYQMSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO Cc1nn(C)c(C)c1[C@@H]1CCC[NH2+]1 71790930 343558956 /nfs/dbraw/zinc/55/89/56/343558956.db2.gz JIQKCBHWDUCIRX-VIFPVBQESA-N 1 0 179.267 1.461 50 0 in-vitro ADAARO Cc1nn(C)c(C)c1[C@H]1CCC[NH2+]1 71790931 343558990 /nfs/dbraw/zinc/55/89/90/343558990.db2.gz JIQKCBHWDUCIRX-SECBINFHSA-N 1 0 179.267 1.461 50 0 in-vitro ADAARO CC[C@@H]1C[NH2+]CCS1 71790450 343559014 /nfs/dbraw/zinc/55/90/14/343559014.db2.gz HBLYPCZZIIUFRO-ZCFIWIBFSA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H]1C[C@H]2CC[C@@H]1C2 71792719 343559052 /nfs/dbraw/zinc/55/90/52/343559052.db2.gz LPUCHTNHUHOTRY-MAUMQABQSA-N 1 0 139.242 1.770 50 0 ADAARO Cc1cncnc1C1CC[NH2+]CC1 72109521 343559509 /nfs/dbraw/zinc/55/95/09/343559509.db2.gz HWPYZDXFRRSULK-UHFFFAOYSA-N 1 0 177.251 1.252 50 0 ADAARO Cc1ccc([C@@H]2C[NH2+]CCO2)nc1 72187588 343560081 /nfs/dbraw/zinc/56/00/81/343560081.db2.gz LMZPBWYIZAHANB-JTQLQIEISA-N 1 0 178.235 1.051 50 0 ADAARO Cc1nccc([C@]2(C)CCC[NH2+]C2)n1 72187775 343560212 /nfs/dbraw/zinc/56/02/12/343560212.db2.gz GCPPYHXRESKMER-LLVKDONJSA-N 1 0 191.278 1.426 50 0 ADAARO Cc1ccc([C@H]2C[NH2+]CCO2)nc1 72187589 343560232 /nfs/dbraw/zinc/56/02/32/343560232.db2.gz LMZPBWYIZAHANB-SNVBAGLBSA-N 1 0 178.235 1.051 50 0 ADAARO Cc1c(F)cccc1[C@@H]([NH3+])CO 72197311 343560447 /nfs/dbraw/zinc/56/04/47/343560447.db2.gz GVNZWQHIVZKYMX-VIFPVBQESA-N 1 0 169.199 1.126 50 0 ADAARO CC1([NH3+])CN(Cc2ccccc2)C1 72194305 343560464 /nfs/dbraw/zinc/56/04/64/343560464.db2.gz CDANDELGCYKWGP-UHFFFAOYSA-N 1 0 176.263 1.220 50 0 in-vitro ADAARO Cc1[nH]c2ncccc2c1C[NH+](C)C 72194166 343560566 /nfs/dbraw/zinc/56/05/66/343560566.db2.gz SBAZYDCUVATMSB-UHFFFAOYSA-N 1 0 189.262 1.933 50 0 in-vitro ADAARO C[n+]1cccc2cc(N)ccc21 72193705 343560762 /nfs/dbraw/zinc/56/07/62/343560762.db2.gz YBMRCZZITIFTMO-UHFFFAOYSA-N 1 0 159.212 1.247 50 0 ADAARO Cc1c(F)cccc1[C@H]([NH3+])CO 72197310 343560786 /nfs/dbraw/zinc/56/07/86/343560786.db2.gz GVNZWQHIVZKYMX-SECBINFHSA-N 1 0 169.199 1.126 50 0 ADAARO CCCCC(=O)[C@H](C)[NH3+] 72202813 343561352 /nfs/dbraw/zinc/56/13/52/343561352.db2.gz IOASKAUMZNDEQD-LURJTMIESA-N 1 0 129.203 1.093 50 0 ADAARO C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH3+] 72208900 343562900 /nfs/dbraw/zinc/56/29/00/343562900.db2.gz FUICJLZUPZOTSL-RQJHMYQMSA-N 1 0 188.271 1.247 50 0 ADAARO C[C@H]([NH3+])[C@H](C)NC(=O)OC(C)(C)C 72208899 343563082 /nfs/dbraw/zinc/56/30/82/343563082.db2.gz FUICJLZUPZOTSL-BQBZGAKWSA-N 1 0 188.271 1.247 50 0 ADAARO Cc1[nH+]ccc2[nH]ccc12 72230702 343566781 /nfs/dbraw/zinc/56/67/81/343566781.db2.gz QQBGXQSMYXJUFF-UHFFFAOYSA-N 1 0 132.166 1.871 50 0 in-vitro ADAARO CC[C@H](C)[C@H]1C[N@@H+]2CCC[C@@H]2CN1 72233259 343567290 /nfs/dbraw/zinc/56/72/90/343567290.db2.gz JMQDRGNCGUJLPY-HBNTYKKESA-N 1 0 182.311 1.469 50 0 ADAARO CCCC[C@H]1C[N@@H+]2CCC[C@H]2CN1 72233262 343567422 /nfs/dbraw/zinc/56/74/22/343567422.db2.gz FEWXJUHZVREJTN-QWRGUYRKSA-N 1 0 182.311 1.613 50 0 ADAARO Cc1[nH+]cc2n1CCCC2 72231522 343567530 /nfs/dbraw/zinc/56/75/30/343567530.db2.gz LJTYKMPLGYWQQM-UHFFFAOYSA-N 1 0 136.198 1.528 50 0 ADAARO CC[C@H](C)[C@H]1C[N@@H+]2CCC[C@H]2CN1 72233260 343567621 /nfs/dbraw/zinc/56/76/21/343567621.db2.gz JMQDRGNCGUJLPY-GARJFASQSA-N 1 0 182.311 1.469 50 0 ADAARO CCCC[C@H]1C[N@@H+]2CCC[C@@H]2CN1 72233261 343567634 /nfs/dbraw/zinc/56/76/34/343567634.db2.gz FEWXJUHZVREJTN-WDEREUQCSA-N 1 0 182.311 1.613 50 0 ADAARO CCn1ncc2c1CCC[C@@H]2[NH3+] 72266329 343567980 /nfs/dbraw/zinc/56/79/80/343567980.db2.gz MOCMZRDJPSROCW-QMMMGPOBSA-N 1 0 165.240 1.239 50 0 in-vitro ADAARO CCn1ncc2c1CCC[C@H]2[NH3+] 72266328 343568037 /nfs/dbraw/zinc/56/80/37/343568037.db2.gz MOCMZRDJPSROCW-MRVPVSSYSA-N 1 0 165.240 1.239 50 0 in-vitro ADAARO CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH3+] 72291167 343568483 /nfs/dbraw/zinc/56/84/83/343568483.db2.gz RMUUQKVHLRUUME-LAEOZQHASA-N 1 0 175.297 1.025 50 0 in-vitro ADAARO Cc1c[nH+]c(C)c(O)c1C 72284353 343568582 /nfs/dbraw/zinc/56/85/82/343568582.db2.gz OIXVDFZUALXJNM-UHFFFAOYSA-N 1 0 137.182 1.712 50 0 ADAARO CC[S@@](=O)[C@H]1CCC[C@H]([NH3+])C1 72292128 343568660 /nfs/dbraw/zinc/56/86/60/343568660.db2.gz WZZVAVUXQCERPY-LAEOZQHASA-N 1 0 175.297 1.025 50 0 in-vitro ADAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH3+])C1 72292126 343568679 /nfs/dbraw/zinc/56/86/79/343568679.db2.gz WZZVAVUXQCERPY-RNSXUZJQSA-N 1 0 175.297 1.025 50 0 in-vitro ADAARO CCC1([NH3+])CCC1 72266639 343568731 /nfs/dbraw/zinc/56/87/31/343568731.db2.gz XGXNQIUNHHNDAQ-UHFFFAOYSA-N 1 0 99.177 1.278 50 0 in-vitro ADAARO CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH3+] 72291165 343568767 /nfs/dbraw/zinc/56/87/67/343568767.db2.gz RMUUQKVHLRUUME-RNSXUZJQSA-N 1 0 175.297 1.025 50 0 in-vitro ADAARO CC1(C)C[NH2+]C1(C)C 72284447 343568791 /nfs/dbraw/zinc/56/87/91/343568791.db2.gz TXHIFFBQDXPZOA-UHFFFAOYSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[NH+](C)Cc1ccc(N)cc1F 72266657 343568795 /nfs/dbraw/zinc/56/87/95/343568795.db2.gz NREHYFFERQGKGJ-UHFFFAOYSA-N 1 0 168.215 1.470 50 0 in-vitro ADAARO Cc1ccc(CNC(N)=[NH2+])cc1C 72329880 343568908 /nfs/dbraw/zinc/56/89/08/343568908.db2.gz XIWJCQKVNRSXIK-UHFFFAOYSA-N 1 0 177.251 1.287 50 0 ADAARO CCCCO[C@H]1C[C@@H]([NH3+])C1(C)C 72302622 343568964 /nfs/dbraw/zinc/56/89/64/343568964.db2.gz YFXMXNXPRBEEAF-BDAKNGLRSA-N 1 0 171.284 1.929 50 0 in-vitro ADAARO CCCCO[C@@H]1C[C@H]([NH3+])C1(C)C 72302619 343568975 /nfs/dbraw/zinc/56/89/75/343568975.db2.gz YFXMXNXPRBEEAF-DTWKUNHWSA-N 1 0 171.284 1.929 50 0 in-vitro ADAARO CCCCO[C@@H]1C[C@@H]([NH3+])C1(C)C 72302621 343569077 /nfs/dbraw/zinc/56/90/77/343569077.db2.gz YFXMXNXPRBEEAF-RKDXNWHRSA-N 1 0 171.284 1.929 50 0 in-vitro ADAARO CCC([NH3+])(CC)CC(=O)OC 72313244 343569162 /nfs/dbraw/zinc/56/91/62/343569162.db2.gz XNQFICJUVHREPI-UHFFFAOYSA-N 1 0 159.229 1.067 50 0 in-vitro ADAARO CC[C@H]1CN2CCCC[C@@H]2C[NH2+]1 72297742 343569171 /nfs/dbraw/zinc/56/91/71/343569171.db2.gz PLYRTYMUDUFVSL-VHSXEESVSA-N 1 0 168.284 1.223 50 0 in-vitro ADAARO CCCCO[C@H]1C[C@H]([NH3+])C1(C)C 72302620 343569221 /nfs/dbraw/zinc/56/92/21/343569221.db2.gz YFXMXNXPRBEEAF-IUCAKERBSA-N 1 0 171.284 1.929 50 0 in-vitro ADAARO CC(C)[C@@H](C[NH3+])c1cccnc1 72309561 343569240 /nfs/dbraw/zinc/56/92/40/343569240.db2.gz KPTYNJPTAYLZMF-SNVBAGLBSA-N 1 0 164.252 1.780 50 0 in-vitro ADAARO CC(C)n1cccc1C[NH3+] 72323961 343569248 /nfs/dbraw/zinc/56/92/48/343569248.db2.gz DUUXTQGJYIDPBN-UHFFFAOYSA-N 1 0 138.214 1.528 50 0 ADAARO CC(C)[C@H]1OCC[C@@H]1C[NH3+] 72310581 343569311 /nfs/dbraw/zinc/56/93/11/343569311.db2.gz IEKRWLAJSISLGT-HTQZYQBOSA-N 1 0 143.230 1.006 50 0 in-vitro ADAARO CC(C)[C@@H]1OCC[C@H]1C[NH3+] 72310580 343569317 /nfs/dbraw/zinc/56/93/17/343569317.db2.gz IEKRWLAJSISLGT-YUMQZZPRSA-N 1 0 143.230 1.006 50 0 in-vitro ADAARO CC[C@@H]1CN2CCCC[C@@H]2C[NH2+]1 72297741 343569322 /nfs/dbraw/zinc/56/93/22/343569322.db2.gz PLYRTYMUDUFVSL-NXEZZACHSA-N 1 0 168.284 1.223 50 0 in-vitro ADAARO Cc1cnc(N)nc1[C@H]1CCCC[NH2+]1 72344141 343569627 /nfs/dbraw/zinc/56/96/27/343569627.db2.gz PARIIAXGWSELRM-MRVPVSSYSA-N 1 0 192.266 1.182 50 0 ADAARO C[N@@H+]1CCC[C@H]1c1cc[nH]n1 72381247 343569675 /nfs/dbraw/zinc/56/96/75/343569675.db2.gz ZOTIXLBLJLFKBN-QMMMGPOBSA-N 1 0 151.213 1.176 50 0 ADAARO Cc1cnc(N)nc1[C@@H]1CCCC[NH2+]1 72344140 343569831 /nfs/dbraw/zinc/56/98/31/343569831.db2.gz PARIIAXGWSELRM-QMMMGPOBSA-N 1 0 192.266 1.182 50 0 ADAARO Cc1cncnc1[C@H]1CCCC[NH2+]1 72343715 343569860 /nfs/dbraw/zinc/56/98/60/343569860.db2.gz JPDFTJFAKRXUFR-SECBINFHSA-N 1 0 177.251 1.600 50 0 ADAARO Cc1cncnc1[C@@H]1CCCC[NH2+]1 72343714 343569865 /nfs/dbraw/zinc/56/98/65/343569865.db2.gz JPDFTJFAKRXUFR-VIFPVBQESA-N 1 0 177.251 1.600 50 0 ADAARO Cc1nn(C)c2c1[C@H]([NH3+])CCC2 72415905 343570460 /nfs/dbraw/zinc/57/04/60/343570460.db2.gz ZRQPINQCQSODAK-SSDOTTSWSA-N 1 0 165.240 1.065 50 0 ADAARO Cc1nn(C)c2c1[C@@H]([NH3+])CCC2 72415904 343570492 /nfs/dbraw/zinc/57/04/92/343570492.db2.gz ZRQPINQCQSODAK-ZETCQYMHSA-N 1 0 165.240 1.065 50 0 ADAARO C[NH+](C)Cc1cnc2ccc(F)cn12 73647950 343571107 /nfs/dbraw/zinc/57/11/07/343571107.db2.gz MCUKUUAPUTVQHK-UHFFFAOYSA-N 1 0 193.225 1.535 50 0 ADAARO CC(C)[C@H]1C[N@@H+]2CCC[C@@H]2CN1 74332670 343572088 /nfs/dbraw/zinc/57/20/88/343572088.db2.gz YPMDREPFLIKFTB-NXEZZACHSA-N 1 0 168.284 1.079 50 0 ADAARO Cc1cccc(C2(C[NH3+])COC2)c1 74306985 343572129 /nfs/dbraw/zinc/57/21/29/343572129.db2.gz VVCNZYNFFLVGJU-UHFFFAOYSA-N 1 0 177.247 1.222 50 0 ADAARO CC(C)(O)[C@H]([NH3+])c1ccc(F)cc1 74299449 343572320 /nfs/dbraw/zinc/57/23/20/343572320.db2.gz HFKGZEMBXJBJHG-SECBINFHSA-N 1 0 183.226 1.596 50 0 ADAARO Cc1cc2[nH]ccc2cc1C[NH3+] 74341842 343572610 /nfs/dbraw/zinc/57/26/10/343572610.db2.gz OXMHQBSUKUWXIT-UHFFFAOYSA-N 1 0 160.220 1.935 50 0 ADAARO CC[C@H]([NH3+])c1c(C)noc1C 74342925 343572653 /nfs/dbraw/zinc/57/26/53/343572653.db2.gz YFFYOGPQXYFJPB-ZETCQYMHSA-N 1 0 154.213 1.701 50 0 in-vitro ADAARO C[C@H]([NH3+])C(=O)Cc1ccccc1 74340924 343572757 /nfs/dbraw/zinc/57/27/57/343572757.db2.gz KGRCBWKTZCOZFX-QMMMGPOBSA-N 1 0 163.220 1.145 50 0 in-vitro ADAARO CC[C@@H]([NH3+])c1c(C)noc1C 74342927 343572769 /nfs/dbraw/zinc/57/27/69/343572769.db2.gz YFFYOGPQXYFJPB-SSDOTTSWSA-N 1 0 154.213 1.701 50 0 in-vitro ADAARO CC[C@H](C[NH3+])CC(F)(F)F 74342752 343572803 /nfs/dbraw/zinc/57/28/03/343572803.db2.gz KVWBHXIPZOJAMD-YFKPBYRVSA-N 1 0 155.163 1.924 50 0 ADAARO Cc1cc([C@@H]2CCC[NH2+]C2)[nH]n1 74941690 343574643 /nfs/dbraw/zinc/57/46/43/343574643.db2.gz ZLTWLBNAYZAKMI-MRVPVSSYSA-N 1 0 165.240 1.185 50 0 in-vitro ADAARO C[C@H]1C[C@@H]([NH3+])CN1Cc1ccccc1 74941831 343574710 /nfs/dbraw/zinc/57/47/10/343574710.db2.gz GEZSNOKHPRRTIC-CMPLNLGQSA-N 1 0 190.290 1.608 50 0 in-vitro ADAARO CCc1noc(CC)c1C[NH3+] 74941884 343575010 /nfs/dbraw/zinc/57/50/10/343575010.db2.gz WTCICVGKGDKXTI-UHFFFAOYSA-N 1 0 154.213 1.258 50 0 in-vitro ADAARO Cc1cc([C@H]2CCC[NH2+]C2)[nH]n1 74941692 343575027 /nfs/dbraw/zinc/57/50/27/343575027.db2.gz ZLTWLBNAYZAKMI-QMMMGPOBSA-N 1 0 165.240 1.185 50 0 in-vitro ADAARO Cc1cc(C[NH3+])cc(C)c1F 74941784 343575083 /nfs/dbraw/zinc/57/50/83/343575083.db2.gz IGAHVYZLAGKTEU-UHFFFAOYSA-N 1 0 153.200 1.901 50 0 in-vitro ADAARO Cc1nn(C)c(Cl)c1[C@@H]1CCC[NH2+]1 74942616 343575169 /nfs/dbraw/zinc/57/51/69/343575169.db2.gz HNVLVORHMBKFKO-ZETCQYMHSA-N 1 0 199.685 1.806 50 0 in-vitro ADAARO C[C@H](O)C[C@@H](C[NH3+])c1ccccc1 75110637 343575199 /nfs/dbraw/zinc/57/51/99/343575199.db2.gz QYQVQEZLGDQAMY-ONGXEEELSA-N 1 0 179.263 1.500 50 0 in-vitro ADAARO Cc1csc(CC[NH+](C)C)n1 75109312 343575352 /nfs/dbraw/zinc/57/53/52/343575352.db2.gz ISKNHMRVLAAFLH-UHFFFAOYSA-N 1 0 170.281 1.556 50 0 ADAARO C[NH2+]Cc1ccc(F)c(OC)c1 75067635 343575234 /nfs/dbraw/zinc/57/52/34/343575234.db2.gz MYYMYOKLDCCGOD-UHFFFAOYSA-N 1 0 169.199 1.554 50 0 ADAARO CC(C)c1nc2n(n1)CCC[C@@H]2[NH3+] 74941930 343575245 /nfs/dbraw/zinc/57/52/45/343575245.db2.gz IMRZKUTYLGRDJX-ZETCQYMHSA-N 1 0 180.255 1.195 50 0 in-vitro ADAARO Cc1nn(C)c(Cl)c1[C@H]1CCC[NH2+]1 74942618 343575545 /nfs/dbraw/zinc/57/55/45/343575545.db2.gz HNVLVORHMBKFKO-SSDOTTSWSA-N 1 0 199.685 1.806 50 0 in-vitro ADAARO C[C@H]([NH3+])C[C@@H](O)c1ccco1 75110687 343575566 /nfs/dbraw/zinc/57/55/66/343575566.db2.gz WAFBZZZRVPRDGT-NKWVEPMBSA-N 1 0 155.197 1.050 50 0 in-vitro ADAARO CC[C@@](C)(O)C[NH2+]Cc1cccn1C 75496629 343576739 /nfs/dbraw/zinc/57/67/39/343576739.db2.gz AEQUILNRWZWODD-LLVKDONJSA-N 1 0 196.294 1.276 50 0 ADAARO CC[C@](C)(O)C[NH2+]Cc1cccn1C 75496611 343576792 /nfs/dbraw/zinc/57/67/92/343576792.db2.gz AEQUILNRWZWODD-NSHDSACASA-N 1 0 196.294 1.276 50 0 ADAARO CC1(C)C[C@H]([NH3+])CCS1 75537682 343577371 /nfs/dbraw/zinc/57/73/71/343577371.db2.gz GTDGSFCJVDEMHY-ZCFIWIBFSA-N 1 0 145.271 1.619 50 0 ADAARO C[C@H]([NH3+])C[C@H](O)c1ccccc1 75546818 343577479 /nfs/dbraw/zinc/57/74/79/343577479.db2.gz IRZOOZVKGLADMX-WPRPVWTQSA-N 1 0 165.236 1.457 50 0 ADAARO Cc1nn(C)cc1[C@@H]1CCC[NH2+]1 75567790 343577666 /nfs/dbraw/zinc/57/76/66/343577666.db2.gz IUNGWTMPLYCVBS-VIFPVBQESA-N 1 0 165.240 1.153 50 0 in-vitro ADAARO C[C@H]([NH2+]Cc1ccccc1)C(C)(C)O 75772326 343577989 /nfs/dbraw/zinc/57/79/89/343577989.db2.gz SZZRCZNJFYKEAT-JTQLQIEISA-N 1 0 193.290 1.936 50 0 ADAARO C[C@H]1CC[NH2+]C[C@H]1n1ccnc1 75772067 343578161 /nfs/dbraw/zinc/57/81/61/343578161.db2.gz SAKIRPGKBFEANV-DTWKUNHWSA-N 1 0 165.240 1.054 50 0 in-vitro ADAARO C[C@H]1CC[NH2+]C[C@@H]1n1ccnc1 75772063 343578283 /nfs/dbraw/zinc/57/82/83/343578283.db2.gz SAKIRPGKBFEANV-IUCAKERBSA-N 1 0 165.240 1.054 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cn(-c2ccccc2)nn1 75772345 343578424 /nfs/dbraw/zinc/57/84/24/343578424.db2.gz WHLMWNCAOOBOTJ-QMMMGPOBSA-N 1 0 188.234 1.287 50 0 in-vitro ADAARO C[C@]1(C[NH3+])CCCS1 75767018 343578476 /nfs/dbraw/zinc/57/84/76/343578476.db2.gz YJPBMPPMCQRVHC-ZCFIWIBFSA-N 1 0 131.244 1.231 50 0 in-vitro ADAARO CC(C)n1ccnc1[C@@H]1CCC[NH2+]C1 75869776 343578555 /nfs/dbraw/zinc/57/85/55/343578555.db2.gz HHBUCZLQBLZHJJ-SNVBAGLBSA-N 1 0 193.294 1.931 50 0 ADAARO CC(C)n1ccnc1[C@H]1CCC[NH2+]C1 75869777 343578590 /nfs/dbraw/zinc/57/85/90/343578590.db2.gz HHBUCZLQBLZHJJ-JTQLQIEISA-N 1 0 193.294 1.931 50 0 ADAARO CCn1ccnc1[C@H]1CCC[NH2+]C1 75869743 343578715 /nfs/dbraw/zinc/57/87/15/343578715.db2.gz NVCUOTKAVBSDHA-VIFPVBQESA-N 1 0 179.267 1.370 50 0 ADAARO CC(C)[C@H]([NH3+])c1ccccc1N 75854034 343578880 /nfs/dbraw/zinc/57/88/80/343578880.db2.gz HWDOANAVTQXODT-JTQLQIEISA-N 1 0 164.252 1.925 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])c1ccccc1N 75854035 343578884 /nfs/dbraw/zinc/57/88/84/343578884.db2.gz HWDOANAVTQXODT-SNVBAGLBSA-N 1 0 164.252 1.925 50 0 in-vitro ADAARO CCn1ccnc1[C@@H]1CCC[NH2+]C1 75869742 343579026 /nfs/dbraw/zinc/57/90/26/343579026.db2.gz NVCUOTKAVBSDHA-SECBINFHSA-N 1 0 179.267 1.370 50 0 ADAARO CC1(C)C[C@@]1(C)C[NH3+] 76570362 343579602 /nfs/dbraw/zinc/57/96/02/343579602.db2.gz CHJLJWSJVBXKDI-ZETCQYMHSA-N 1 0 113.204 1.381 50 0 ADAARO CN1CCCNc2c[nH+]ccc21 76594585 343579917 /nfs/dbraw/zinc/57/99/17/343579917.db2.gz GSNZZHCHOQZJIJ-UHFFFAOYSA-N 1 0 163.224 1.333 50 0 ADAARO Cc1nc[nH]c1C1CC[NH2+]CC1 76818255 343580127 /nfs/dbraw/zinc/58/01/27/343580127.db2.gz OAAFGNFILDPKMU-UHFFFAOYSA-N 1 0 165.240 1.185 50 0 ADAARO CC(C)[C@@H]1C[N@@H+]2CCC[C@@H]2CN1 77263105 343580789 /nfs/dbraw/zinc/58/07/89/343580789.db2.gz YPMDREPFLIKFTB-ZJUUUORDSA-N 1 0 168.284 1.079 50 0 ADAARO CCC1(CC)[C@H]([NH2+]C)C[C@H]1OC 78210754 343582132 /nfs/dbraw/zinc/58/21/32/343582132.db2.gz VDVUUMDIZGGZQM-RKDXNWHRSA-N 1 0 171.284 1.800 50 0 in-vitro ADAARO CCC1(CC)[C@@H]([NH2+]C)C[C@@H]1OC 78210753 343582141 /nfs/dbraw/zinc/58/21/41/343582141.db2.gz VDVUUMDIZGGZQM-IUCAKERBSA-N 1 0 171.284 1.800 50 0 in-vitro ADAARO Cc1cc(C=C2CC[NH2+]CC2)no1 78210758 343582156 /nfs/dbraw/zinc/58/21/56/343582156.db2.gz IOFMFBPRDLHZKE-UHFFFAOYSA-N 1 0 178.235 1.750 50 0 ADAARO CC(C)n1cc2c(n1)C[C@@H]([NH3+])CC2 78206498 343582319 /nfs/dbraw/zinc/58/23/19/343582319.db2.gz PAXCZFUKVTWYOS-VIFPVBQESA-N 1 0 179.267 1.280 50 0 in-vitro ADAARO CCC1(CC)[C@@H]([NH2+]C)C[C@H]1OC 78210755 343582367 /nfs/dbraw/zinc/58/23/67/343582367.db2.gz VDVUUMDIZGGZQM-DTWKUNHWSA-N 1 0 171.284 1.800 50 0 in-vitro ADAARO Cc1cccc2nc(C[NH3+])n(C)c12 78210399 343582371 /nfs/dbraw/zinc/58/23/71/343582371.db2.gz IMOIOIBKQYIPAJ-UHFFFAOYSA-N 1 0 175.235 1.340 50 0 in-vitro ADAARO CC(C)n1cc2c(n1)C[C@H]([NH3+])CC2 78206496 343582401 /nfs/dbraw/zinc/58/24/01/343582401.db2.gz PAXCZFUKVTWYOS-SECBINFHSA-N 1 0 179.267 1.280 50 0 in-vitro ADAARO CCC(=O)O[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C 78549279 343583192 /nfs/dbraw/zinc/58/31/92/343583192.db2.gz KNMVFWWXROFBOR-LPEHRKFASA-N 1 0 199.294 1.668 50 0 ADAARO CC1(C)C=C(CCO)CC(C)(C)[NH2+]1 78502878 343583225 /nfs/dbraw/zinc/58/32/25/343583225.db2.gz VJKGOPQLYKWANL-UHFFFAOYSA-N 1 0 183.295 1.846 50 0 ADAARO CCC(=O)O[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C 78549285 343583316 /nfs/dbraw/zinc/58/33/16/343583316.db2.gz KNMVFWWXROFBOR-IVZWLZJFSA-N 1 0 199.294 1.668 50 0 ADAARO CCC1(CC)C[NH2+]C1 78730537 343584259 /nfs/dbraw/zinc/58/42/59/343584259.db2.gz VCPUCGKZZCQTGO-UHFFFAOYSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO C[C@H]([NH3+])CC1CCC1 78724712 343584452 /nfs/dbraw/zinc/58/44/52/343584452.db2.gz GPEFCRXOFGOZFQ-LURJTMIESA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO C[C@H]1C[C@@H]([NH3+])CC[C@H]1C 78724417 343584575 /nfs/dbraw/zinc/58/45/75/343584575.db2.gz PKVFZJADFGHKEM-CSMHCCOUSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO C[C@H]1C[C@H]([NH3+])CC[C@H]1C 78724422 343584691 /nfs/dbraw/zinc/58/46/91/343584691.db2.gz PKVFZJADFGHKEM-GJMOJQLCSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO C[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 78817622 343585573 /nfs/dbraw/zinc/58/55/73/343585573.db2.gz HWRRQRKPNKYPBW-CSMHCCOUSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO Cc1ccc2c(c1)C[NH2+]CCO2 78782373 343585953 /nfs/dbraw/zinc/58/59/53/343585953.db2.gz MRDQIPDNKOQMDJ-UHFFFAOYSA-N 1 0 163.220 1.477 50 0 in-vitro ADAARO Cc1c(Br)ccnc1N 79052157 343586345 /nfs/dbraw/zinc/58/63/45/343586345.db2.gz XWWKYJUQHIIFGH-UHFFFAOYSA-N 1 0 187.040 1.735 50 0 in-vitro ADAARO C[C@H]1CCC[N@H+](CC2(O)CCC2)C1 79096561 343586394 /nfs/dbraw/zinc/58/63/94/343586394.db2.gz SQOKSWCHFTVDML-JTQLQIEISA-N 1 0 183.295 1.633 50 0 ADAARO C[C@H]([NH3+])C[C@H](O)c1ccc(F)cc1 79106055 343586440 /nfs/dbraw/zinc/58/64/40/343586440.db2.gz UIXSIOQBLTVBSC-XVKPBYJWSA-N 1 0 183.226 1.596 50 0 ADAARO C[C@H]1C[N@H+](CC2(O)CCC2)C[C@@H](C)O1 79096537 343586480 /nfs/dbraw/zinc/58/64/80/343586480.db2.gz PVSLVVNIAKTOEA-AOOOYVTPSA-N 1 0 199.294 1.011 50 0 ADAARO C[C@H]1CCC[NH2+]C[C@@H]1C 80264404 343591164 /nfs/dbraw/zinc/59/11/64/343591164.db2.gz BHFDQNIUOIAOMM-YUMQZZPRSA-N 1 0 127.231 1.642 50 0 ADAARO C[C@H]1CCC[NH2+]C[C@H]1C 80264409 343591271 /nfs/dbraw/zinc/59/12/71/343591271.db2.gz BHFDQNIUOIAOMM-JGVFFNPUSA-N 1 0 127.231 1.642 50 0 ADAARO CC1(C)CCCC[NH2+]C1 80602096 343591725 /nfs/dbraw/zinc/59/17/25/343591725.db2.gz MCJWZDIFFOGAJS-UHFFFAOYSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO CC1(CC[NH3+])CCCC1 80771630 343591789 /nfs/dbraw/zinc/59/17/89/343591789.db2.gz XGEYQNGWPMPMDX-UHFFFAOYSA-N 1 0 127.231 1.916 50 0 in-vitro ADAARO CCOC[C@H]([NH3+])CC(C)C 81113684 343593118 /nfs/dbraw/zinc/59/31/18/343593118.db2.gz BGHJPIOXKTYCPD-MRVPVSSYSA-N 1 0 145.246 1.396 50 0 ADAARO CC(C)Oc1cccc(C(N)=[NH2+])n1 81621785 343594134 /nfs/dbraw/zinc/59/41/34/343594134.db2.gz WFRUFDONBJOZJO-UHFFFAOYSA-N 1 0 179.223 1.153 50 0 in-vitro ADAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH3+] 82164751 343595829 /nfs/dbraw/zinc/59/58/29/343595829.db2.gz ZYYCVMDMNLXMPG-VHSXEESVSA-N 1 0 198.310 1.228 50 0 in-vitro ADAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH3+] 82164744 343596007 /nfs/dbraw/zinc/59/60/07/343596007.db2.gz ZYYCVMDMNLXMPG-ZJUUUORDSA-N 1 0 198.310 1.228 50 0 in-vitro ADAARO C[C@H]([NH3+])C[C@H](O)c1cccs1 82164488 343596022 /nfs/dbraw/zinc/59/60/22/343596022.db2.gz MLZPXVVKOVENGJ-BQBZGAKWSA-N 1 0 171.265 1.519 50 0 in-vitro ADAARO C[C@H]([NH3+])C[C@@H](O)c1cccs1 82164492 343596085 /nfs/dbraw/zinc/59/60/85/343596085.db2.gz MLZPXVVKOVENGJ-NKWVEPMBSA-N 1 0 171.265 1.519 50 0 in-vitro ADAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH3+] 82164747 343596133 /nfs/dbraw/zinc/59/61/33/343596133.db2.gz ZYYCVMDMNLXMPG-UWVGGRQHSA-N 1 0 198.310 1.228 50 0 in-vitro ADAARO C[C@H]([NH3+])CC(=O)c1cccs1 82164552 343596136 /nfs/dbraw/zinc/59/61/36/343596136.db2.gz MKKPDVXAVAVBOW-LURJTMIESA-N 1 0 169.249 1.668 50 0 in-vitro ADAARO CCC(CC)[C@@H](CC[NH3+])OC 82164258 343596141 /nfs/dbraw/zinc/59/61/41/343596141.db2.gz YTPZXTSSQYKMLB-SECBINFHSA-N 1 0 159.273 1.786 50 0 in-vitro ADAARO CCC(CC)[C@H](CC[NH3+])OC 82164260 343596158 /nfs/dbraw/zinc/59/61/58/343596158.db2.gz YTPZXTSSQYKMLB-VIFPVBQESA-N 1 0 159.273 1.786 50 0 in-vitro ADAARO CN(c1ccccc1)[C@@H]1CC[NH2+]C1 82290066 343597911 /nfs/dbraw/zinc/59/79/11/343597911.db2.gz JIIDHZWUCLLFKI-LLVKDONJSA-N 1 0 176.263 1.485 50 0 in-vitro ADAARO CN(c1ccccc1)[C@H]1CC[NH2+]C1 82290068 343597940 /nfs/dbraw/zinc/59/79/40/343597940.db2.gz JIIDHZWUCLLFKI-NSHDSACASA-N 1 0 176.263 1.485 50 0 in-vitro ADAARO CN1c2ccccc2[C@@H]2C[NH2+]CC[C@@H]21 82319250 343598900 /nfs/dbraw/zinc/59/89/00/343598900.db2.gz JZNDLEDDYQQRAL-JQWIXIFHSA-N 1 0 188.274 1.582 50 0 ADAARO Cc1ccnn1-c1ccc(C[NH3+])cc1 82391720 343600167 /nfs/dbraw/zinc/60/01/67/343600167.db2.gz PDFUUEVCAHZUJE-UHFFFAOYSA-N 1 0 187.246 1.639 50 0 ADAARO Cc1n[nH]cc1C1CC[NH2+]CC1 82403329 343601089 /nfs/dbraw/zinc/60/10/89/343601089.db2.gz RUDBDQGQYSXYGD-UHFFFAOYSA-N 1 0 165.240 1.185 50 0 in-vitro ADAARO Cc1n[nH]c(C)c1[C@H]1CCC[NH2+]1 82403314 343601176 /nfs/dbraw/zinc/60/11/76/343601176.db2.gz JFSZUEYFPBWDIE-MRVPVSSYSA-N 1 0 165.240 1.451 50 0 in-vitro ADAARO CN1CCC[C@H]([NH3+])c2ccccc21 82398638 343601302 /nfs/dbraw/zinc/60/13/02/343601302.db2.gz PDQVHQFMLCZJPB-JTQLQIEISA-N 1 0 176.263 1.916 50 0 ADAARO Cc1cnoc1C1CC[NH2+]CC1 82402958 343601401 /nfs/dbraw/zinc/60/14/01/343601401.db2.gz SVRUXNJKBVXYRL-UHFFFAOYSA-N 1 0 166.224 1.450 50 0 ADAARO Cc1cccc(C2(C[NH3+])CC2)n1 82404756 343601641 /nfs/dbraw/zinc/60/16/41/343601641.db2.gz YGKDNTMGHNAFRS-UHFFFAOYSA-N 1 0 162.236 1.380 50 0 ADAARO Cc1c(C[NH3+])ccc2[nH]ccc12 82405278 343601848 /nfs/dbraw/zinc/60/18/48/343601848.db2.gz DYHYJNJAARZBQV-UHFFFAOYSA-N 1 0 160.220 1.935 50 0 in-vitro ADAARO CN1Cc2ccccc2[C@@H]1C[NH3+] 82404762 343601899 /nfs/dbraw/zinc/60/18/99/343601899.db2.gz CLEVAQJKPQTDMI-JTQLQIEISA-N 1 0 162.236 1.132 50 0 ADAARO CN1Cc2ccccc2[C@H]1C[NH3+] 82404763 343601963 /nfs/dbraw/zinc/60/19/63/343601963.db2.gz CLEVAQJKPQTDMI-SNVBAGLBSA-N 1 0 162.236 1.132 50 0 ADAARO C[C@H]1CC(=O)C[C@@H](C2CC2)[NH2+]1 82407299 343602246 /nfs/dbraw/zinc/60/22/46/343602246.db2.gz URHLGVNKVAEGGV-RCOVLWMOSA-N 1 0 153.225 1.106 50 0 ADAARO CC[C@@H]([NH3+])[C@@H]1CCCOC1 82409371 343602338 /nfs/dbraw/zinc/60/23/38/343602338.db2.gz XFYWIPJNKYITCL-HTQZYQBOSA-N 1 0 143.230 1.150 50 0 ADAARO C[N@@H+]1CCC(=O)[C@H]2CCC[C@@H]21 82407288 343602404 /nfs/dbraw/zinc/60/24/04/343602404.db2.gz YGEYYJFGMWCUNV-YUMQZZPRSA-N 1 0 153.225 1.060 50 0 in-vitro ADAARO CCc1nc(C)c(C[NH3+])o1 82410255 343602487 /nfs/dbraw/zinc/60/24/87/343602487.db2.gz IDASPJREHJWRRE-UHFFFAOYSA-N 1 0 140.186 1.004 50 0 in-vitro ADAARO C[C@H]1CC(=O)C[C@H](C2CC2)[NH2+]1 82407297 343602505 /nfs/dbraw/zinc/60/25/05/343602505.db2.gz URHLGVNKVAEGGV-IMTBSYHQSA-N 1 0 153.225 1.106 50 0 ADAARO CC[C@H]([NH3+])[C@H]1CCCOC1 82409372 343602531 /nfs/dbraw/zinc/60/25/31/343602531.db2.gz XFYWIPJNKYITCL-YUMQZZPRSA-N 1 0 143.230 1.150 50 0 ADAARO Cc1nc(C(C)C)oc1C[NH3+] 82407010 343602597 /nfs/dbraw/zinc/60/25/97/343602597.db2.gz KWIDHJZJOCYPLN-UHFFFAOYSA-N 1 0 154.213 1.565 50 0 ADAARO CC[C@@H]([NH3+])[C@H]1CCCOC1 82409373 343602654 /nfs/dbraw/zinc/60/26/54/343602654.db2.gz XFYWIPJNKYITCL-JGVFFNPUSA-N 1 0 143.230 1.150 50 0 ADAARO CC[C@H]([NH3+])[C@@H]1CCCOC1 82409370 343602664 /nfs/dbraw/zinc/60/26/64/343602664.db2.gz XFYWIPJNKYITCL-SFYZADRCSA-N 1 0 143.230 1.150 50 0 ADAARO CCc1ccnc(C[NH3+])c1 82410855 343602856 /nfs/dbraw/zinc/60/28/56/343602856.db2.gz FJHHDCQDDZONBY-UHFFFAOYSA-N 1 0 136.198 1.103 50 0 in-vitro ADAARO Cc1ccncc1[C@H](C)[NH3+] 82410860 343602915 /nfs/dbraw/zinc/60/29/15/343602915.db2.gz IZVNSBQUTJTRTM-ZETCQYMHSA-N 1 0 136.198 1.410 50 0 in-vitro ADAARO C[C@H]([NH3+])c1ccc(F)nc1 82410330 343603285 /nfs/dbraw/zinc/60/32/85/343603285.db2.gz JBTAFZSFQDNIMT-YFKPBYRVSA-N 1 0 140.161 1.240 50 0 ADAARO C[C@H]([NH3+])c1nccn1-c1ccccc1 82510430 343604947 /nfs/dbraw/zinc/60/49/47/343604947.db2.gz KYPQNTCHYGUBCX-VIFPVBQESA-N 1 0 187.246 1.892 50 0 in-vitro ADAARO Cc1coc([C@@H]2CCC[NH2+]2)n1 82522423 343605995 /nfs/dbraw/zinc/60/59/95/343605995.db2.gz YLGYWVFYKSDNKL-ZETCQYMHSA-N 1 0 152.197 1.408 50 0 ADAARO CC[C@@H](C)c1nnc([C@H](C)[NH3+])[nH]1 82562978 343606164 /nfs/dbraw/zinc/60/61/64/343606164.db2.gz BGBBOYOXJQCQHL-RITPCOANSA-N 1 0 168.244 1.338 50 0 in-vitro ADAARO CC[C@H](C)c1nnc([C@H](C)[NH3+])[nH]1 82562979 343606178 /nfs/dbraw/zinc/60/61/78/343606178.db2.gz BGBBOYOXJQCQHL-WDSKDSINSA-N 1 0 168.244 1.338 50 0 in-vitro ADAARO CC[C@H](C)c1nnc([C@@H](C)[NH3+])[nH]1 82562977 343606203 /nfs/dbraw/zinc/60/62/03/343606203.db2.gz BGBBOYOXJQCQHL-NTSWFWBYSA-N 1 0 168.244 1.338 50 0 in-vitro ADAARO CC[C@@H](C)c1nnc([C@@H](C)[NH3+])[nH]1 82562976 343606219 /nfs/dbraw/zinc/60/62/19/343606219.db2.gz BGBBOYOXJQCQHL-PHDIDXHHSA-N 1 0 168.244 1.338 50 0 in-vitro ADAARO Cc1nc(Cl)c(C)c(NN)[nH+]1 82565379 343606837 /nfs/dbraw/zinc/60/68/37/343606837.db2.gz VHOUIJPEINQDSA-UHFFFAOYSA-N 1 0 172.619 1.032 50 0 in-vitro ADAARO Cc1cc(N)cc(C[NH3+])c1 82631456 343608441 /nfs/dbraw/zinc/60/84/41/343608441.db2.gz YVJZLDMQUURGMW-UHFFFAOYSA-N 1 0 136.198 1.036 50 0 ADAARO Cc1cccc(-c2n[nH]cc2C[NH3+])c1 82636010 343608457 /nfs/dbraw/zinc/60/84/57/343608457.db2.gz MMMVKQIKQFOGAP-UHFFFAOYSA-N 1 0 187.246 1.844 50 0 ADAARO Cc1nc(C[NH3+])c(C)s1 82631627 343608551 /nfs/dbraw/zinc/60/85/51/343608551.db2.gz QVLQAPIXNSQONU-UHFFFAOYSA-N 1 0 142.227 1.219 50 0 in-vitro ADAARO CNC(=O)CC1(C[NH3+])CCCCC1 82635627 343608607 /nfs/dbraw/zinc/60/86/07/343608607.db2.gz JZBGVJXDOBDDOH-UHFFFAOYSA-N 1 0 184.283 1.032 50 0 ADAARO C[C@H]1CCc2onc(C[NH3+])c2C1 82632852 343608656 /nfs/dbraw/zinc/60/86/56/343608656.db2.gz KQZGBXUZRDWBSK-LURJTMIESA-N 1 0 166.224 1.258 50 0 ADAARO Cc1ccc(O)cc1C[NH3+] 82637679 343609035 /nfs/dbraw/zinc/60/90/35/343609035.db2.gz IZYCJSRDSOEHJE-UHFFFAOYSA-N 1 0 137.182 1.159 50 0 in-vitro ADAARO Cc1cncn1C1CC[NH2+]CC1 82655498 343609156 /nfs/dbraw/zinc/60/91/56/343609156.db2.gz PGWYRRSGBUCCOR-UHFFFAOYSA-N 1 0 165.240 1.116 50 0 ADAARO C1CC(O[C@@H]2CCC[NH2+]CC2)C1 82667273 343609630 /nfs/dbraw/zinc/60/96/30/343609630.db2.gz PYRVDDPGOVAREQ-SNVBAGLBSA-N 1 0 169.268 1.698 50 0 ADAARO CC1(C)C[C@@H]([NH3+])C(C)(C)O1 82707688 343610715 /nfs/dbraw/zinc/61/07/15/343610715.db2.gz DZFSGYLVKWWWMW-ZCFIWIBFSA-N 1 0 143.230 1.291 50 0 in-vitro ADAARO CN(C)c1[nH+]ccc2cc(N)ccc12 82753845 343612004 /nfs/dbraw/zinc/61/20/04/343612004.db2.gz INHODQCQPXIMKS-UHFFFAOYSA-N 1 0 187.246 1.883 50 0 ADAARO C[C@H]1Cc2c(N)cccc2C[NH2+]1 82790859 343612395 /nfs/dbraw/zinc/61/23/95/343612395.db2.gz AOZYFYVPRWQFHD-ZETCQYMHSA-N 1 0 162.236 1.303 50 0 in-vitro ADAARO C[N@@H+]1CCc2cc(N)ccc2C1 82789874 343612398 /nfs/dbraw/zinc/61/23/98/343612398.db2.gz PWHRVVMNFQGSJQ-UHFFFAOYSA-N 1 0 162.236 1.257 50 0 ADAARO CC(C)n1ncc2c1CC[NH2+]C2 82809037 343612573 /nfs/dbraw/zinc/61/25/73/343612573.db2.gz KZSZNEHSOBRKEK-UHFFFAOYSA-N 1 0 165.240 1.110 50 0 ADAARO CC(C)n1ncc2c1CCC[C@H]2[NH3+] 82826088 343613092 /nfs/dbraw/zinc/61/30/92/343613092.db2.gz WPLJKSTWCJWSFC-SECBINFHSA-N 1 0 179.267 1.800 50 0 ADAARO Cc1noc(C)c1C(C)(C)[NH3+] 82843389 343613212 /nfs/dbraw/zinc/61/32/12/343613212.db2.gz XUEYQBCLMHSKOS-UHFFFAOYSA-N 1 0 154.213 1.485 50 0 in-vitro ADAARO Cc1cncc([C@@H](C)[NH3+])c1 82836904 343613295 /nfs/dbraw/zinc/61/32/95/343613295.db2.gz YGPHVIWZVMVUFZ-SSDOTTSWSA-N 1 0 136.198 1.410 50 0 ADAARO Cc1cnc(CC[NH3+])c(C)c1 82840617 343613585 /nfs/dbraw/zinc/61/35/85/343613585.db2.gz KHEXKTKDZZDMQX-UHFFFAOYSA-N 1 0 150.225 1.200 50 0 ADAARO Cc1cc(C(C)(C)[NH3+])on1 82838027 343613594 /nfs/dbraw/zinc/61/35/94/343613594.db2.gz SWFOKEFWBRMYOF-UHFFFAOYSA-N 1 0 140.186 1.177 50 0 ADAARO CC(C)[C@@H]1C[NH2+]CCCO1 82839487 343613597 /nfs/dbraw/zinc/61/35/97/343613597.db2.gz JPYYBLAUULIEFR-QMMMGPOBSA-N 1 0 143.230 1.021 50 0 ADAARO Cc1cc(C)c(C[NH3+])s1 82838619 343613601 /nfs/dbraw/zinc/61/36/01/343613601.db2.gz GLDFCMBXYYLTEB-UHFFFAOYSA-N 1 0 141.239 1.824 50 0 ADAARO Cc1cncc([C@H](C)[NH3+])c1 82836907 343613635 /nfs/dbraw/zinc/61/36/35/343613635.db2.gz YGPHVIWZVMVUFZ-ZETCQYMHSA-N 1 0 136.198 1.410 50 0 ADAARO C[NH2+]CC[C@@H]1CCCOC1 82839474 343613660 /nfs/dbraw/zinc/61/36/60/343613660.db2.gz RMHIGXCFQIFJGY-QMMMGPOBSA-N 1 0 143.230 1.023 50 0 ADAARO C[C@H]([NH3+])c1cc2cnccc2o1 82850475 343613869 /nfs/dbraw/zinc/61/38/69/343613869.db2.gz GRRYGMAFEKWZSG-LURJTMIESA-N 1 0 162.192 1.848 50 0 ADAARO Cc1c([C@@H]2CCC[NH2+]2)cnn1C 82851648 343613947 /nfs/dbraw/zinc/61/39/47/343613947.db2.gz TVPRJYIFYSOIHZ-VIFPVBQESA-N 1 0 165.240 1.153 50 0 in-vitro ADAARO Cc1cc2c(C[NH3+])cccc2[nH]1 82850214 343613954 /nfs/dbraw/zinc/61/39/54/343613954.db2.gz PYZLEBLXSYEQMK-UHFFFAOYSA-N 1 0 160.220 1.935 50 0 ADAARO Cc1cc([C@H](O)CC[NH3+])c(C)o1 82854384 343613967 /nfs/dbraw/zinc/61/39/67/343613967.db2.gz HPQBWCHMDAXYLP-SECBINFHSA-N 1 0 169.224 1.279 50 0 ADAARO Cc1cncc([C@H]2CC[NH2+]C2)c1 82850573 343614091 /nfs/dbraw/zinc/61/40/91/343614091.db2.gz CHIVLCXQRUOOEV-VIFPVBQESA-N 1 0 162.236 1.467 50 0 ADAARO Cc1cc([C@@H](O)CC[NH3+])c(C)o1 82854385 343614002 /nfs/dbraw/zinc/61/40/02/343614002.db2.gz HPQBWCHMDAXYLP-VIFPVBQESA-N 1 0 169.224 1.279 50 0 ADAARO Cc1ccnc([C@@H]2CC[NH2+]C2)c1 82850579 343614029 /nfs/dbraw/zinc/61/40/29/343614029.db2.gz BUGQYOZFMSJKMY-SECBINFHSA-N 1 0 162.236 1.467 50 0 ADAARO Cc1c([C@H]2CCC[NH2+]2)cnn1C 82851649 343614132 /nfs/dbraw/zinc/61/41/32/343614132.db2.gz TVPRJYIFYSOIHZ-SECBINFHSA-N 1 0 165.240 1.153 50 0 in-vitro ADAARO Cc1ccncc1[C@@H]1CC[NH2+]C1 82850568 343614162 /nfs/dbraw/zinc/61/41/62/343614162.db2.gz WMZPAJFGBAJRSE-SECBINFHSA-N 1 0 162.236 1.467 50 0 in-vitro ADAARO CC(C)[C@@H](C[NH3+])c1ccnn1C 82853234 343614166 /nfs/dbraw/zinc/61/41/66/343614166.db2.gz REEIWYLDYVOGJX-MRVPVSSYSA-N 1 0 167.256 1.118 50 0 in-vitro ADAARO Cc1ccnc([C@H]2CC[NH2+]C2)c1 82850580 343614208 /nfs/dbraw/zinc/61/42/08/343614208.db2.gz BUGQYOZFMSJKMY-VIFPVBQESA-N 1 0 162.236 1.467 50 0 ADAARO Cc1cncc([C@@H]2CC[NH2+]C2)c1 82850572 343614210 /nfs/dbraw/zinc/61/42/10/343614210.db2.gz CHIVLCXQRUOOEV-SECBINFHSA-N 1 0 162.236 1.467 50 0 ADAARO C[C@H]1[NH2+]CCO[C@@H]1c1cccc(F)c1 82898813 343615109 /nfs/dbraw/zinc/61/51/09/343615109.db2.gz VHYVKJAQSJCYCK-KCJUWKMLSA-N 1 0 195.237 1.875 50 0 in-vitro ADAARO C[C@H]1[NH2+]CCO[C@H]1c1cccc(F)c1 82898809 343615137 /nfs/dbraw/zinc/61/51/37/343615137.db2.gz VHYVKJAQSJCYCK-LDYMZIIASA-N 1 0 195.237 1.875 50 0 in-vitro ADAARO CC(C)[NH2+]CC[C@H]1CCCOC1 82954813 343615667 /nfs/dbraw/zinc/61/56/67/343615667.db2.gz DGKVQMGEFKVIKD-SNVBAGLBSA-N 1 0 171.284 1.801 50 0 ADAARO CC(C)[NH2+]CC[C@@H]1CCCOC1 82954812 343615768 /nfs/dbraw/zinc/61/57/68/343615768.db2.gz DGKVQMGEFKVIKD-JTQLQIEISA-N 1 0 171.284 1.801 50 0 ADAARO [NH3+][C@H](C1CCC1)[C@H]1CCOC1 83121430 343616681 /nfs/dbraw/zinc/61/66/81/343616681.db2.gz BLSQVGUJHULDJR-DTWKUNHWSA-N 1 0 155.241 1.150 50 0 in-vitro ADAARO [NH3+][C@@H](C1CCC1)[C@@H]1CCOC1 83121423 343616695 /nfs/dbraw/zinc/61/66/95/343616695.db2.gz BLSQVGUJHULDJR-BDAKNGLRSA-N 1 0 155.241 1.150 50 0 in-vitro ADAARO [NH3+][C@H](C1CCC1)[C@@H]1CCOC1 83121425 343616727 /nfs/dbraw/zinc/61/67/27/343616727.db2.gz BLSQVGUJHULDJR-RKDXNWHRSA-N 1 0 155.241 1.150 50 0 in-vitro ADAARO [NH3+][C@@H](C1CCC1)[C@H]1CCOC1 83121426 343616871 /nfs/dbraw/zinc/61/68/71/343616871.db2.gz BLSQVGUJHULDJR-IUCAKERBSA-N 1 0 155.241 1.150 50 0 in-vitro ADAARO Cc1ccc2c([nH+]1)NCCN2 83137736 343616935 /nfs/dbraw/zinc/61/69/35/343616935.db2.gz WYOWXFIDFQAYRB-UHFFFAOYSA-N 1 0 149.197 1.227 50 0 ADAARO CCC1CC([NH3+])C1 83162377 343617480 /nfs/dbraw/zinc/61/74/80/343617480.db2.gz RDOBCMAOFYDWKB-UHFFFAOYSA-N 1 0 99.177 1.134 50 0 ADAARO C[NH+](C)[C@H]1CCOc2c(N)cccc21 83254938 343617668 /nfs/dbraw/zinc/61/76/68/343617668.db2.gz PZVJEUWCUYNUOU-JTQLQIEISA-N 1 0 192.262 1.654 50 0 in-vitro ADAARO Cc1cnccc1[C@@H](C)[NH3+] 83267502 343617709 /nfs/dbraw/zinc/61/77/09/343617709.db2.gz FCJFFSRMXWPYIQ-SSDOTTSWSA-N 1 0 136.198 1.410 50 0 ADAARO CCc1nn(C)c(CC)c1C[NH3+] 83255324 343617778 /nfs/dbraw/zinc/61/77/78/343617778.db2.gz XYTONGZCTYIPTQ-UHFFFAOYSA-N 1 0 167.256 1.004 50 0 in-vitro ADAARO C[C@H]1C[NH2+]Cc2ccccc2O1 83255620 343617813 /nfs/dbraw/zinc/61/78/13/343617813.db2.gz SMTCLMJGCOKJJI-QMMMGPOBSA-N 1 0 163.220 1.557 50 0 in-vitro ADAARO Cc1cccnc1C(C)(C)[NH3+] 83268138 343617838 /nfs/dbraw/zinc/61/78/38/343617838.db2.gz YCHOIAQHCWYXCN-UHFFFAOYSA-N 1 0 150.225 1.584 50 0 ADAARO C[NH+](C)[C@@H]1CCOc2c(N)cccc21 83254936 343617897 /nfs/dbraw/zinc/61/78/97/343617897.db2.gz PZVJEUWCUYNUOU-SNVBAGLBSA-N 1 0 192.262 1.654 50 0 in-vitro ADAARO CC1(C)Oc2ccc(C[NH3+])cc2O1 83254904 343617917 /nfs/dbraw/zinc/61/79/17/343617917.db2.gz AZFZYNWXGOTZFG-UHFFFAOYSA-N 1 0 179.219 1.653 50 0 in-vitro ADAARO Cc1cccnc1[C@@H]1CC[NH2+]C1 83269551 343618262 /nfs/dbraw/zinc/61/82/62/343618262.db2.gz MQXGRCCYRHMULM-SECBINFHSA-N 1 0 162.236 1.467 50 0 ADAARO CC(C)c1nc([C@@H]([NH3+])CO)cs1 83276743 343618323 /nfs/dbraw/zinc/61/83/23/343618323.db2.gz HVVOINWIFOBBHQ-LURJTMIESA-N 1 0 186.280 1.259 50 0 ADAARO Cc1cccnc1C1(C[NH3+])CC1 83269546 343618350 /nfs/dbraw/zinc/61/83/50/343618350.db2.gz ARVYDCUDNDJSFX-UHFFFAOYSA-N 1 0 162.236 1.380 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cccc(Cl)n1 83268942 343618363 /nfs/dbraw/zinc/61/83/63/343618363.db2.gz BKQIIQHHFWJFAI-YFKPBYRVSA-N 1 0 156.616 1.755 50 0 ADAARO CC(C)c1nc([C@H]([NH3+])CO)cs1 83276742 343618370 /nfs/dbraw/zinc/61/83/70/343618370.db2.gz HVVOINWIFOBBHQ-ZCFIWIBFSA-N 1 0 186.280 1.259 50 0 ADAARO C[C@H]([NH3+])c1cc2n(n1)CCCC2 83269843 343618417 /nfs/dbraw/zinc/61/84/17/343618417.db2.gz QASJNOJDEPRNGF-ZETCQYMHSA-N 1 0 165.240 1.239 50 0 ADAARO CC1(C)C[NH2+]Cc2ccccc2O1 83272672 343618438 /nfs/dbraw/zinc/61/84/38/343618438.db2.gz IAWAJAWAYZMKNF-UHFFFAOYSA-N 1 0 177.247 1.947 50 0 in-vitro ADAARO CC1([NH3+])CCC(F)(F)CC1 83351194 343618658 /nfs/dbraw/zinc/61/86/58/343618658.db2.gz HMMITIYMFHIYBL-UHFFFAOYSA-N 1 0 149.184 1.913 50 0 in-vitro ADAARO Cc1c(O)cccc1C[NH3+] 83339465 343618662 /nfs/dbraw/zinc/61/86/62/343618662.db2.gz TWUTXXPJOMFISM-UHFFFAOYSA-N 1 0 137.182 1.159 50 0 ADAARO CC1(C)C[NH2+][C@@H]2CCC[C@H]2O1 83459798 343619753 /nfs/dbraw/zinc/61/97/53/343619753.db2.gz HRSVZNCFIVZFLE-HTQZYQBOSA-N 1 0 155.241 1.306 50 0 in-vitro ADAARO C[C@H]1C[NH2+]C[C@@]2(CCOC(C)(C)C2)O1 83472035 343620943 /nfs/dbraw/zinc/62/09/43/343620943.db2.gz IVGBCYBVACEZRK-ONGXEEELSA-N 1 0 199.294 1.323 50 0 in-vitro ADAARO C[C@H]([NH3+])c1cnc(Cl)cn1 83591544 343621272 /nfs/dbraw/zinc/62/12/72/343621272.db2.gz SXBSRDJNLZZIFB-BYPYZUCNSA-N 1 0 157.604 1.150 50 0 in-vitro ADAARO C[N@H+](CCc1cccc(N)c1)C1CC1 83739465 343623777 /nfs/dbraw/zinc/62/37/77/343623777.db2.gz QWDGZWBPLJZAFQ-UHFFFAOYSA-N 1 0 190.290 1.906 50 0 in-vitro ADAARO CC[C@H](C)N[C@@H](C[NH3+])c1ccco1 83760945 343624018 /nfs/dbraw/zinc/62/40/18/343624018.db2.gz PPVANSNFHRGNHM-IUCAKERBSA-N 1 0 182.267 1.668 50 0 in-vitro ADAARO C[C@H](O)[C@](C)(C[NH3+])Cc1ccccc1 83777556 343624119 /nfs/dbraw/zinc/62/41/19/343624119.db2.gz GLLXHCDEEGVYPY-JQWIXIFHSA-N 1 0 193.290 1.575 50 0 in-vitro ADAARO CC[C@H]([NH3+])[C@@H]1C[C@@H]1C 83808183 343624142 /nfs/dbraw/zinc/62/41/42/343624142.db2.gz LJEXECLDZCJGIE-XVMARJQXSA-N 1 0 113.204 1.380 50 0 ADAARO CC[C@H]([NH3+])[C@H]1C[C@@H]1C 83808185 343624165 /nfs/dbraw/zinc/62/41/65/343624165.db2.gz LJEXECLDZCJGIE-ACZMJKKPSA-N 1 0 113.204 1.380 50 0 ADAARO CC[C@H](C)N[C@H](C[NH3+])c1ccco1 83760951 343624178 /nfs/dbraw/zinc/62/41/78/343624178.db2.gz PPVANSNFHRGNHM-DTWKUNHWSA-N 1 0 182.267 1.668 50 0 in-vitro ADAARO C[C@@H]([NH3+])c1cnn(CC2CCC2)c1 83841976 343625536 /nfs/dbraw/zinc/62/55/36/343625536.db2.gz WXQHYPFVKUYFEG-MRVPVSSYSA-N 1 0 179.267 1.703 50 0 ADAARO C[C@H]([NH3+])c1cnn(CC2CCC2)c1 83841975 343625590 /nfs/dbraw/zinc/62/55/90/343625590.db2.gz WXQHYPFVKUYFEG-QMMMGPOBSA-N 1 0 179.267 1.703 50 0 ADAARO C[NH2+]CCOCC1CCC1 83839685 343625748 /nfs/dbraw/zinc/62/57/48/343625748.db2.gz NSTBOMGFBSUGPS-UHFFFAOYSA-N 1 0 143.230 1.023 50 0 in-vitro ADAARO CSCC1(CC[NH3+])CC1 83854311 343626131 /nfs/dbraw/zinc/62/61/31/343626131.db2.gz GHRCVPICYZCFOQ-UHFFFAOYSA-N 1 0 145.271 1.478 50 0 ADAARO CC(C)[C@@H]([NH3+])C(=O)Nc1ccccn1 83891286 343627142 /nfs/dbraw/zinc/62/71/42/343627142.db2.gz JECHQMMXVZMHQA-SECBINFHSA-N 1 0 193.250 1.003 50 0 ADAARO CC[C@H]1CC[C@@H](C)[NH2+]1 83961914 343628800 /nfs/dbraw/zinc/62/88/00/343628800.db2.gz HFSPXKKJTJCBNE-RQJHMYQMSA-N 1 0 113.204 1.537 50 0 in-vitro ADAARO CC[C@@H]1CC[C@H](C)[NH2+]1 83961909 343628922 /nfs/dbraw/zinc/62/89/22/343628922.db2.gz HFSPXKKJTJCBNE-NKWVEPMBSA-N 1 0 113.204 1.537 50 0 in-vitro ADAARO Cc1cc(C)c2c(n1)C[NH2+]C2 84231845 343632633 /nfs/dbraw/zinc/63/26/33/343632633.db2.gz MHKLDRRJNFPTSP-UHFFFAOYSA-N 1 0 148.209 1.302 50 0 ADAARO [NH3+]C[C@H](c1ccccc1)c1cnccn1 84248465 343633102 /nfs/dbraw/zinc/63/31/02/343633102.db2.gz DLIJZPWXXDJLRJ-LLVKDONJSA-N 1 0 199.257 1.567 50 0 ADAARO [NH3+]C[C@@H](c1ccccc1)c1cnccn1 84248466 343633210 /nfs/dbraw/zinc/63/32/10/343633210.db2.gz DLIJZPWXXDJLRJ-NSHDSACASA-N 1 0 199.257 1.567 50 0 ADAARO [NH3+]C[C@@]1(c2ccccc2)CCOC1 84249285 343633279 /nfs/dbraw/zinc/63/32/79/343633279.db2.gz XRIXJLVASXOLNP-NSHDSACASA-N 1 0 177.247 1.303 50 0 ADAARO CC(C)([NH3+])[C@H]1CCCCO1 84303579 343633660 /nfs/dbraw/zinc/63/36/60/343633660.db2.gz DHTOWFGYIUTPJG-SSDOTTSWSA-N 1 0 143.230 1.293 50 0 in-vitro ADAARO CC(C)([NH3+])[C@@H]1CCCCO1 84303576 343633672 /nfs/dbraw/zinc/63/36/72/343633672.db2.gz DHTOWFGYIUTPJG-ZETCQYMHSA-N 1 0 143.230 1.293 50 0 in-vitro ADAARO C[C@]1(F)CCC[NH2+]C1 84309035 343633736 /nfs/dbraw/zinc/63/37/36/343633736.db2.gz ZNUPLHUOEAEDIJ-LURJTMIESA-N 1 0 117.167 1.098 50 0 in-vitro ADAARO Cc1ccc2[nH]cc(CC[NH3+])c2n1 84308298 343633743 /nfs/dbraw/zinc/63/37/43/343633743.db2.gz QEJCOULYEYQBLW-UHFFFAOYSA-N 1 0 175.235 1.373 50 0 ADAARO CC1(F)CC[NH2+]CC1 84309030 343633746 /nfs/dbraw/zinc/63/37/46/343633746.db2.gz JLXVITLYWGUPQP-UHFFFAOYSA-N 1 0 117.167 1.098 50 0 in-vitro ADAARO C[C@@]1(F)CCC[NH2+]C1 84309036 343633767 /nfs/dbraw/zinc/63/37/67/343633767.db2.gz ZNUPLHUOEAEDIJ-ZCFIWIBFSA-N 1 0 117.167 1.098 50 0 in-vitro ADAARO CC(F)(F)CCC[NH3+] 84305743 343633813 /nfs/dbraw/zinc/63/38/13/343633813.db2.gz HYNONZQLNWUFIJ-UHFFFAOYSA-N 1 0 123.146 1.381 50 0 ADAARO OC1CC([NH2+]Cc2ccccc2)C1 84422053 343636556 /nfs/dbraw/zinc/63/65/56/343636556.db2.gz KPEYOJIYFRKEBN-UHFFFAOYSA-N 1 0 177.247 1.300 50 0 ADAARO Cc1cc(O)cc(C[NH3+])c1 84426094 343636670 /nfs/dbraw/zinc/63/66/70/343636670.db2.gz LQRKVGJORMOMQO-UHFFFAOYSA-N 1 0 137.182 1.159 50 0 ADAARO C[C@H]1CC[NH2+]C(C)(C)C1 84425985 343636671 /nfs/dbraw/zinc/63/66/71/343636671.db2.gz AIRGIADVPCTKHU-ZETCQYMHSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO CC(C)(C)c1cc2n(n1)CC[NH2+]C2 84446010 343636871 /nfs/dbraw/zinc/63/68/71/343636871.db2.gz LOYQOHGGHGVONM-UHFFFAOYSA-N 1 0 179.267 1.284 50 0 ADAARO Cc1ccc([C@H](O)C[NH3+])c(Cl)c1 84449710 343637512 /nfs/dbraw/zinc/63/75/12/343637512.db2.gz ZGSCZKAUKPZRQQ-SECBINFHSA-N 1 0 185.654 1.641 50 0 ADAARO Cc1ccc([C@@H](O)C[NH3+])c(Cl)c1 84449713 343637514 /nfs/dbraw/zinc/63/75/14/343637514.db2.gz ZGSCZKAUKPZRQQ-VIFPVBQESA-N 1 0 185.654 1.641 50 0 ADAARO CC[C@H](C)[C@H](C[NH3+])OC 85100028 343639611 /nfs/dbraw/zinc/63/96/11/343639611.db2.gz IDMUEQYNTNCGJN-BQBZGAKWSA-N 1 0 131.219 1.006 50 0 ADAARO CC[C@H](C)[C@@H](C[NH3+])OC 85100024 343639661 /nfs/dbraw/zinc/63/96/61/343639661.db2.gz IDMUEQYNTNCGJN-NKWVEPMBSA-N 1 0 131.219 1.006 50 0 ADAARO C[C@H]([NH3+])CSC(F)(F)F 85314252 343642079 /nfs/dbraw/zinc/64/20/79/343642079.db2.gz CCLWBFMYVJFUKD-VKHMYHEASA-N 1 0 159.176 1.587 50 0 ADAARO CC(C)[N@@H+]1C[C@@H](C)[C@@H](O)C[C@H]1C 85409917 343643602 /nfs/dbraw/zinc/64/36/02/343643602.db2.gz LOJBMEUIYQOYTE-BBBLOLIVSA-N 1 0 171.284 1.486 50 0 ADAARO Cc1nccn1CC1CC[NH2+]CC1 85588038 343645590 /nfs/dbraw/zinc/64/55/90/343645590.db2.gz NYNAUDQASKDPGH-UHFFFAOYSA-N 1 0 179.267 1.191 50 0 ADAARO CCn1ccc(C[NH2+]C)c1 85584791 343645686 /nfs/dbraw/zinc/64/56/86/343645686.db2.gz PAQTZJCQRHONNN-UHFFFAOYSA-N 1 0 138.214 1.227 50 0 in-vitro ADAARO C[C@H]1C[N@H+](C)CCC1(F)F 85650640 343646267 /nfs/dbraw/zinc/64/62/67/343646267.db2.gz TXGUJJOFIVGZFB-LURJTMIESA-N 1 0 149.184 1.593 50 0 ADAARO [NH3+]CC1(C2(O)CCC2)CCC1 85926790 343647781 /nfs/dbraw/zinc/64/77/81/343647781.db2.gz UIRGZQQFLORBCF-UHFFFAOYSA-N 1 0 155.241 1.030 50 0 ADAARO CCC(O)(CC)C(C)(C)C[NH3+] 85899936 343647819 /nfs/dbraw/zinc/64/78/19/343647819.db2.gz PDRDIEBAXUQFAY-UHFFFAOYSA-N 1 0 159.273 1.522 50 0 ADAARO C[NH+](C)Cc1cc(Cl)ccn1 86129463 343650050 /nfs/dbraw/zinc/65/00/50/343650050.db2.gz NVKDVDORSVTRRF-UHFFFAOYSA-N 1 0 170.643 1.797 50 0 ADAARO CCCCCC1C[NH2+]C1 86395092 343651472 /nfs/dbraw/zinc/65/14/72/343651472.db2.gz QZSXKWVMVLPQAL-UHFFFAOYSA-N 1 0 127.231 1.786 50 0 in-vitro ADAARO [NH3+]Cc1c(F)cccc1-n1cccn1 86476540 343651936 /nfs/dbraw/zinc/65/19/36/343651936.db2.gz ZNXJXCNUSGGPBU-UHFFFAOYSA-N 1 0 191.209 1.470 50 0 ADAARO COC[C@@H]([NH3+])CC(C)(C)C 86524982 343652300 /nfs/dbraw/zinc/65/23/00/343652300.db2.gz PCTDUTZECMEKPK-ZETCQYMHSA-N 1 0 145.246 1.396 50 0 ADAARO COC[C@H]([NH3+])CC(C)(C)C 86524983 343652321 /nfs/dbraw/zinc/65/23/21/343652321.db2.gz PCTDUTZECMEKPK-SSDOTTSWSA-N 1 0 145.246 1.396 50 0 ADAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCCC1=O 86498481 343652513 /nfs/dbraw/zinc/65/25/13/343652513.db2.gz WCSFWFSXBSMKMY-UWVGGRQHSA-N 1 0 181.279 1.840 50 0 in-vitro ADAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCC1=O 86498479 343652525 /nfs/dbraw/zinc/65/25/25/343652525.db2.gz WCSFWFSXBSMKMY-VHSXEESVSA-N 1 0 181.279 1.840 50 0 in-vitro ADAARO COC(=O)C(C)(C)C[NH2+]CC(C)C 86593769 343653047 /nfs/dbraw/zinc/65/30/47/343653047.db2.gz KPAGVHYXCMTNTH-UHFFFAOYSA-N 1 0 187.283 1.431 50 0 ADAARO C[NH+](C)[C@H]1CCc2cc(N)ccc21 86731095 343654774 /nfs/dbraw/zinc/65/47/74/343654774.db2.gz GKSTVNAQNGYRAH-NSHDSACASA-N 1 0 176.263 1.818 50 0 ADAARO Cc1cscc1C[NH3+] 86815525 343655392 /nfs/dbraw/zinc/65/53/92/343655392.db2.gz NUOZTFAOKMVNAU-UHFFFAOYSA-N 1 0 127.212 1.515 50 0 in-vitro ADAARO CC(C)(C)OC(=O)CC1([NH3+])CCC1 86852598 343655748 /nfs/dbraw/zinc/65/57/48/343655748.db2.gz SYACRWRTGDXUGC-UHFFFAOYSA-N 1 0 185.267 1.600 50 0 ADAARO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH3+] 87016186 343657166 /nfs/dbraw/zinc/65/71/66/343657166.db2.gz BQUBNPVVUSEMTI-MLUIRONXSA-N 1 0 167.183 1.606 50 0 in-vitro ADAARO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH3+] 87016183 343657453 /nfs/dbraw/zinc/65/74/53/343657453.db2.gz BQUBNPVVUSEMTI-ANLVUFKYSA-N 1 0 167.183 1.606 50 0 in-vitro ADAARO Cc1ncccc1O[C@@H]1CC[NH2+]C1 87155006 343658272 /nfs/dbraw/zinc/65/82/72/343658272.db2.gz OMQMSVMMXTUZRZ-SECBINFHSA-N 1 0 178.235 1.131 50 0 ADAARO C[NH2+]C1CC(C)(C)C1 87439776 343661012 /nfs/dbraw/zinc/66/10/12/343661012.db2.gz ACMDLPNZRWNCBP-UHFFFAOYSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CCOc1ccc(C[NH3+])c(F)c1 87542598 343662273 /nfs/dbraw/zinc/66/22/73/343662273.db2.gz QCNMLOWAAMVEMN-UHFFFAOYSA-N 1 0 169.199 1.683 50 0 ADAARO C[C@H]1CCCCN1[C@@H]1CCC[NH2+]C1 87876310 343664972 /nfs/dbraw/zinc/66/49/72/343664972.db2.gz XLGDVRUTJTXZGE-WDEREUQCSA-N 1 0 182.311 1.613 50 0 ADAARO C[C@H]1CCCN([C@@H]2CCC[NH2+]C2)C1 87876312 343665265 /nfs/dbraw/zinc/66/52/65/343665265.db2.gz CJWRVRINIMDENH-WDEREUQCSA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO CCOCC[N@H+](C)CCC[C@H](C)O 87978892 343665890 /nfs/dbraw/zinc/66/58/90/343665890.db2.gz OBTWAKVPPUKKDZ-JTQLQIEISA-N 1 0 189.299 1.116 50 0 ADAARO [NH3+]CC(=O)C1C2CC3CC(C2)CC1C3 88022348 343665911 /nfs/dbraw/zinc/66/59/11/343665911.db2.gz UMHVMQZZXAJRAO-UHFFFAOYSA-N 1 0 193.290 1.587 50 0 ADAARO FCCCOC1CC[NH2+]CC1 88025908 343666052 /nfs/dbraw/zinc/66/60/52/343666052.db2.gz OMQCRBWPQPWGLV-UHFFFAOYSA-N 1 0 161.220 1.115 50 0 ADAARO OCC1CC[NH+](CCCF)CC1 88026793 343666671 /nfs/dbraw/zinc/66/66/71/343666671.db2.gz INTXSXYSPYHEBW-UHFFFAOYSA-N 1 0 175.247 1.050 50 0 ADAARO Fc1ccc([C@@H]2CCC[NH2+]2)nc1 88189886 343668825 /nfs/dbraw/zinc/66/88/25/343668825.db2.gz HMSQFFINRZJSLM-QMMMGPOBSA-N 1 0 166.199 1.645 50 0 ADAARO [NH3+][C@@H]1CO[C@H](c2ccccc2)C1 88190093 343669079 /nfs/dbraw/zinc/66/90/79/343669079.db2.gz ZURDRPAHERVYRU-UWVGGRQHSA-N 1 0 163.220 1.475 50 0 ADAARO [NH3+][C@H]1CO[C@@H](c2ccccc2)C1 88190096 343669300 /nfs/dbraw/zinc/66/93/00/343669300.db2.gz ZURDRPAHERVYRU-NXEZZACHSA-N 1 0 163.220 1.475 50 0 ADAARO [NH3+][C@H]1CO[C@H](c2ccccc2)C1 88190095 343669469 /nfs/dbraw/zinc/66/94/69/343669469.db2.gz ZURDRPAHERVYRU-ZJUUUORDSA-N 1 0 163.220 1.475 50 0 ADAARO [NH3+][C@@H]1CO[C@@H](c2ccccc2)C1 88190094 343669476 /nfs/dbraw/zinc/66/94/76/343669476.db2.gz ZURDRPAHERVYRU-VHSXEESVSA-N 1 0 163.220 1.475 50 0 ADAARO C[C@H]([NH3+])C(=O)c1cccc(Cl)c1 88330330 343671274 /nfs/dbraw/zinc/67/12/74/343671274.db2.gz RDWWHMAISJGIDU-LURJTMIESA-N 1 0 183.638 1.870 50 0 in-vitro ADAARO CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1[NH3+] 88613842 343671595 /nfs/dbraw/zinc/67/15/95/343671595.db2.gz MZIZHDQBQJLHFU-HLTSFMKQSA-N 1 0 171.284 1.785 50 0 in-vitro ADAARO CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1[NH3+] 88613840 343671599 /nfs/dbraw/zinc/67/15/99/343671599.db2.gz MZIZHDQBQJLHFU-YIZRAAEISA-N 1 0 171.284 1.785 50 0 in-vitro ADAARO C[C@H]1CC[NH2+]CC12CCC2 88613833 343671775 /nfs/dbraw/zinc/67/17/75/343671775.db2.gz RBFKADPKAMWGKG-QMMMGPOBSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO Cc1cc(N)cc(C[NH+](C)C)c1 88611626 343671842 /nfs/dbraw/zinc/67/18/42/343671842.db2.gz GEBYHBHCQFEPGH-UHFFFAOYSA-N 1 0 164.252 1.639 50 0 in-vitro ADAARO C[C@H]([NH3+])c1noc(C(F)F)n1 88611650 343671882 /nfs/dbraw/zinc/67/18/82/343671882.db2.gz FXYCMEDFGMVZBX-REOHCLBHSA-N 1 0 163.127 1.027 50 0 in-vitro ADAARO CC[C@H]([NH3+])c1ccc2[nH]ccc2n1 89220917 343673940 /nfs/dbraw/zinc/67/39/40/343673940.db2.gz MPVYRUVNJIPQTQ-ZETCQYMHSA-N 1 0 175.235 1.973 50 0 ADAARO CC[C@H](C)C[NH2+]CCNC(=O)C1CC1 89942229 343674488 /nfs/dbraw/zinc/67/44/88/343674488.db2.gz IJMGZJBLGNKTQC-VIFPVBQESA-N 1 0 198.310 1.148 50 0 ADAARO CC(C)OCC[N@H+](C)CC1CC1 89887862 343674567 /nfs/dbraw/zinc/67/45/67/343674567.db2.gz UURBXZIEBZKQPK-UHFFFAOYSA-N 1 0 171.284 1.753 50 0 ADAARO C[C@H]([NH3+])c1ncc(Cl)cc1F 91692946 343677943 /nfs/dbraw/zinc/67/79/43/343677943.db2.gz MAYQGJSDQBLXHN-BYPYZUCNSA-N 1 0 174.606 1.894 50 0 in-vitro ADAARO Cc1cccc2[nH+]c(N)n(C)c12 94350718 343678629 /nfs/dbraw/zinc/67/86/29/343678629.db2.gz HOMNAVGFMHNVBH-UHFFFAOYSA-N 1 0 161.208 1.464 50 0 ADAARO CN(c1nccs1)C1CC[NH2+]CC1 95070653 343679012 /nfs/dbraw/zinc/67/90/12/343679012.db2.gz KMJPTOCDOMMFAT-UHFFFAOYSA-N 1 0 197.307 1.331 50 0 ADAARO CN(C)C[C@H]([NH3+])Cc1ccccc1 95079700 343679456 /nfs/dbraw/zinc/67/94/56/343679456.db2.gz HKHSRJNAQHRMGT-LLVKDONJSA-N 1 0 178.279 1.118 50 0 ADAARO CN(CC[NH3+])Cc1ccccc1 95079706 343679534 /nfs/dbraw/zinc/67/95/34/343679534.db2.gz LIUGRXFEJOSPIA-UHFFFAOYSA-N 1 0 164.252 1.077 50 0 in-vitro ADAARO CN(C)C[C@@H]([NH3+])Cc1ccccc1 95079701 343679605 /nfs/dbraw/zinc/67/96/05/343679605.db2.gz HKHSRJNAQHRMGT-NSHDSACASA-N 1 0 178.279 1.118 50 0 ADAARO CN(C)CC[NH2+]Cc1ccccc1F 95212888 343682438 /nfs/dbraw/zinc/68/24/38/343682438.db2.gz HTBXSNPURUNNNU-UHFFFAOYSA-N 1 0 196.269 1.477 50 0 in-vitro ADAARO CCCC[NH2+]C1CCN(C)CC1 95188435 343682454 /nfs/dbraw/zinc/68/24/54/343682454.db2.gz XUTYYTFCEDKHFQ-UHFFFAOYSA-N 1 0 170.300 1.470 50 0 ADAARO CN1CC[NH2+][C@H](Cc2ccccc2)C1 95192347 343682537 /nfs/dbraw/zinc/68/25/37/343682537.db2.gz NJHPPXZJEYFKMD-GFCCVEGCSA-N 1 0 190.290 1.133 50 0 in-vitro ADAARO CN1CC[NH2+][C@@H](Cc2ccccc2)C1 95192348 343682578 /nfs/dbraw/zinc/68/25/78/343682578.db2.gz NJHPPXZJEYFKMD-LBPRGKRZSA-N 1 0 190.290 1.133 50 0 in-vitro ADAARO CN(CC[NH3+])Cc1ccc(F)cc1 95202009 343682646 /nfs/dbraw/zinc/68/26/46/343682646.db2.gz UPOHOUSCJAYAKS-UHFFFAOYSA-N 1 0 182.242 1.216 50 0 in-vitro ADAARO C[C@H]1COc2ccccc2C[NH2+]1 95348097 343682958 /nfs/dbraw/zinc/68/29/58/343682958.db2.gz BJWDNTHNWRNSAZ-QMMMGPOBSA-N 1 0 163.220 1.557 50 0 in-vitro ADAARO C[NH+](C)[C@@H](CN)C1CCCCC1 95348465 343682979 /nfs/dbraw/zinc/68/29/79/343682979.db2.gz SKVJPJNCPKDEAF-JTQLQIEISA-N 1 0 170.300 1.456 50 0 ADAARO C[NH+](C)C1(CN)CCCCC1 95351731 343683017 /nfs/dbraw/zinc/68/30/17/343683017.db2.gz TYMAJBZHTKCAJJ-UHFFFAOYSA-N 1 0 156.273 1.210 50 0 in-vitro ADAARO CCc1noc(C[NH2+][C@H](C)C(C)C)n1 95348852 343683061 /nfs/dbraw/zinc/68/30/61/343683061.db2.gz IANYIZNWONMDPC-MRVPVSSYSA-N 1 0 197.282 1.766 50 0 ADAARO CC(C)[N@@H+]1CCc2ncsc2C1 95347815 343683082 /nfs/dbraw/zinc/68/30/82/343683082.db2.gz RTIFSWHBNPCOME-UHFFFAOYSA-N 1 0 182.292 1.910 50 0 in-vitro ADAARO C[C@H]1CC[NH2+]CC1(C)C 95348400 343683122 /nfs/dbraw/zinc/68/31/22/343683122.db2.gz VXHWPIAGYKZENK-ZETCQYMHSA-N 1 0 127.231 1.642 50 0 in-vitro ADAARO C[C@H]1C[NH2+]CC(C)(C)C1 95348216 343683128 /nfs/dbraw/zinc/68/31/28/343683128.db2.gz CDUQWBAPFRDIKZ-SSDOTTSWSA-N 1 0 127.231 1.642 50 0 in-vitro ADAARO CCc1noc(C[NH2+][C@@H](C)C(C)C)n1 95348851 343683279 /nfs/dbraw/zinc/68/32/79/343683279.db2.gz IANYIZNWONMDPC-QMMMGPOBSA-N 1 0 197.282 1.766 50 0 ADAARO C[NH+](C)[C@H](CN)C1CCCCC1 95348466 343683287 /nfs/dbraw/zinc/68/32/87/343683287.db2.gz SKVJPJNCPKDEAF-SNVBAGLBSA-N 1 0 170.300 1.456 50 0 ADAARO Cc1ccc(CNCC[NH+](C)C)o1 95223306 343683297 /nfs/dbraw/zinc/68/32/97/343683297.db2.gz KMMNJQOFNFWIQZ-UHFFFAOYSA-N 1 0 182.267 1.239 50 0 in-vitro ADAARO Cc1[nH+]cc(N)c(C)c1C 95533166 343683652 /nfs/dbraw/zinc/68/36/52/343683652.db2.gz NUOBZEUVCGDJNU-UHFFFAOYSA-N 1 0 136.198 1.589 50 0 ADAARO CCCNC(=O)[C@H]([NH3+])c1ccccc1 95618930 343684348 /nfs/dbraw/zinc/68/43/48/343684348.db2.gz YXBMGPJKBYDLAK-SNVBAGLBSA-N 1 0 192.262 1.213 50 0 ADAARO Cc1cccc2c1nc(C[NH3+])n2C 95618974 343684529 /nfs/dbraw/zinc/68/45/29/343684529.db2.gz VFXUVYXXXLPATA-UHFFFAOYSA-N 1 0 175.235 1.340 50 0 ADAARO Cc1cnc(Cl)c(C[NH3+])c1 95630927 343684980 /nfs/dbraw/zinc/68/49/80/343684980.db2.gz VACLUHFTRMKJCY-UHFFFAOYSA-N 1 0 156.616 1.502 50 0 ADAARO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] 95635280 343684991 /nfs/dbraw/zinc/68/49/91/343684991.db2.gz NFZIZQCPMPUVFT-CMPLNLGQSA-N 1 0 190.290 1.466 50 0 ADAARO Cc1cc(C[NH3+])cc(Cl)n1 95630930 343685022 /nfs/dbraw/zinc/68/50/22/343685022.db2.gz WITHOOLAXQUNBX-UHFFFAOYSA-N 1 0 156.616 1.502 50 0 ADAARO CC(C)(C)OC(=O)C1(C[NH3+])CCCC1 95635127 343685050 /nfs/dbraw/zinc/68/50/50/343685050.db2.gz CMWYGCVPORHJMO-UHFFFAOYSA-N 1 0 199.294 1.847 50 0 in-vitro ADAARO C[NH2+]CC1CC(F)(F)C1 95708158 343686060 /nfs/dbraw/zinc/68/60/60/343686060.db2.gz KZIBVEUXQHZZRL-UHFFFAOYSA-N 1 0 135.157 1.251 50 0 in-vitro ADAARO Cc1c(Cl)ccnc1C[NH3+] 95751460 343686899 /nfs/dbraw/zinc/68/68/99/343686899.db2.gz DHBHFYXQGMWKDG-UHFFFAOYSA-N 1 0 156.616 1.502 50 0 ADAARO C[NH2+]C1CC(F)(F)C1 95740494 343686928 /nfs/dbraw/zinc/68/69/28/343686928.db2.gz SFSJGDLPZNJHHA-UHFFFAOYSA-N 1 0 121.130 1.004 50 0 ADAARO CC1(C[NH3+])CC(F)(F)C1 95743360 343687164 /nfs/dbraw/zinc/68/71/64/343687164.db2.gz XYASTYBRCNJHIM-UHFFFAOYSA-N 1 0 135.157 1.381 50 0 in-vitro ADAARO Cc1c2ccc(C[NH3+])cc2nn1C 95742735 343687180 /nfs/dbraw/zinc/68/71/80/343687180.db2.gz YSWKWJOUVUVEMI-UHFFFAOYSA-N 1 0 175.235 1.340 50 0 ADAARO CC1([NH3+])CC(F)(F)C1 95743179 343687194 /nfs/dbraw/zinc/68/71/94/343687194.db2.gz WUZMZQGHLORJBL-UHFFFAOYSA-N 1 0 121.130 1.133 50 0 in-vitro ADAARO Cc1ccc(C)c(C[NH3+])n1 95761048 343687394 /nfs/dbraw/zinc/68/73/94/343687394.db2.gz YBQLVYCNSLQITM-UHFFFAOYSA-N 1 0 136.198 1.157 50 0 ADAARO Cc1ccc(Cl)c(C[NH3+])n1 95761403 343687694 /nfs/dbraw/zinc/68/76/94/343687694.db2.gz GYRBTEDHCQLTLL-UHFFFAOYSA-N 1 0 156.616 1.502 50 0 ADAARO C[C@]1(C[NH3+])CCO[C@@H]1C1CC1 95829734 343688103 /nfs/dbraw/zinc/68/81/03/343688103.db2.gz METUSWSNAQNQDA-RKDXNWHRSA-N 1 0 155.241 1.150 50 0 in-vitro ADAARO CC(C)n1ncc2c1[C@H]([NH3+])CCC2 95829399 343688276 /nfs/dbraw/zinc/68/82/76/343688276.db2.gz XFLWPCIOEPSIQB-SECBINFHSA-N 1 0 179.267 1.800 50 0 in-vitro ADAARO CC(C)n1ncc2c1[C@@H]([NH3+])CCC2 95829398 343688291 /nfs/dbraw/zinc/68/82/91/343688291.db2.gz XFLWPCIOEPSIQB-VIFPVBQESA-N 1 0 179.267 1.800 50 0 in-vitro ADAARO [NH3+]CCc1c[nH]c2cc(F)cc(F)c12 95845465 343688697 /nfs/dbraw/zinc/68/86/97/343688697.db2.gz XGDPOURMTUKZDA-UHFFFAOYSA-N 1 0 196.200 1.947 50 0 ADAARO C[C@H]1C[NH2+]C2(CCC2)C1 95835797 343688707 /nfs/dbraw/zinc/68/87/07/343688707.db2.gz IIQIKRQMNFHIFL-SSDOTTSWSA-N 1 0 125.215 1.539 50 0 in-vitro ADAARO C[C@H]1C[NH2+]C2(CC2)C1 95835749 343688726 /nfs/dbraw/zinc/68/87/26/343688726.db2.gz IULJNQJXJDCMOR-ZCFIWIBFSA-N 1 0 111.188 1.148 50 0 in-vitro ADAARO Cn1c(C2([NH3+])CC2)nc2ccccc21 95836373 343688739 /nfs/dbraw/zinc/68/87/39/343688739.db2.gz CZQDXJJESQMNKJ-UHFFFAOYSA-N 1 0 187.246 1.521 50 0 ADAARO C[NH+](C)Cc1cc(N)nc(Cl)c1 95836948 343688826 /nfs/dbraw/zinc/68/88/26/343688826.db2.gz MPABDLGMFINFGF-UHFFFAOYSA-N 1 0 185.658 1.379 50 0 ADAARO CC1(C[NH3+])CN(Cc2ccccc2)C1 95883769 343689128 /nfs/dbraw/zinc/68/91/28/343689128.db2.gz KZCXGXKNZKWESZ-UHFFFAOYSA-N 1 0 190.290 1.467 50 0 ADAARO C[C@H]([NH3+])COC(F)(F)C(F)(F)F 95918458 343689801 /nfs/dbraw/zinc/68/98/01/343689801.db2.gz YJKODVJQMYPFTQ-VKHMYHEASA-N 1 0 193.115 1.505 50 0 ADAARO C[C@H](C[C@H](O)C(N)=[NH2+])CC(C)(C)C 96026692 343692212 /nfs/dbraw/zinc/69/22/12/343692212.db2.gz XKOYRINHYXCTFX-SFYZADRCSA-N 1 0 186.299 1.746 50 0 ADAARO CCCCC[NH2+][C@@H](CCO)C1CC1 95941335 343692248 /nfs/dbraw/zinc/69/22/48/343692248.db2.gz KXGMZTIIGGXSRG-NSHDSACASA-N 1 0 185.311 1.927 50 0 ADAARO COCCCCCCCC[NH3+] 96026895 343692321 /nfs/dbraw/zinc/69/23/21/343692321.db2.gz QQKPRRHSQLHKOF-UHFFFAOYSA-N 1 0 159.273 1.932 50 0 ADAARO C[C@@H](C[C@H](O)C(N)=[NH2+])CC(C)(C)C 96026691 343692480 /nfs/dbraw/zinc/69/24/80/343692480.db2.gz XKOYRINHYXCTFX-YUMQZZPRSA-N 1 0 186.299 1.746 50 0 ADAARO C[NH2+]CCCCOc1cccc(O)c1 96027297 343692710 /nfs/dbraw/zinc/69/27/10/343692710.db2.gz MGFZKULFEXKKAM-UHFFFAOYSA-N 1 0 195.262 1.771 50 0 ADAARO C[C@H]1[NH2+]CCC[C@]1(O)c1ccccc1 96026921 343692844 /nfs/dbraw/zinc/69/28/44/343692844.db2.gz XSVDDNHOLNHOML-ZYHUDNBSSA-N 1 0 191.274 1.646 50 0 ADAARO CCCC[NH2+]CCc1cnccn1 96027026 343692855 /nfs/dbraw/zinc/69/28/55/343692855.db2.gz DQTRFEQBKYZQDP-UHFFFAOYSA-N 1 0 179.267 1.409 50 0 ADAARO C[NH2+]C(C)(C)[C@@H](O)c1cccs1 96027900 343692883 /nfs/dbraw/zinc/69/28/83/343692883.db2.gz BAHAKPMEHUHYBG-QMMMGPOBSA-N 1 0 185.292 1.780 50 0 ADAARO c1cnc(CC[NH+]2CCCCC2)cn1 96026999 343692903 /nfs/dbraw/zinc/69/29/03/343692903.db2.gz YDTBUQBVKOLSGW-UHFFFAOYSA-N 1 0 191.278 1.505 50 0 ADAARO CC(C)(C)[NH2+]CCCCOC(N)=O 96027345 343692913 /nfs/dbraw/zinc/69/29/13/343692913.db2.gz BTKAKKAATXRRDZ-UHFFFAOYSA-N 1 0 188.271 1.250 50 0 ADAARO C[NH2+]CCCCc1cnccn1 96027070 343692918 /nfs/dbraw/zinc/69/29/18/343692918.db2.gz KDSAIISYRWBIPE-UHFFFAOYSA-N 1 0 165.240 1.019 50 0 ADAARO C[C@@H]1[NH2+]CCC[C@@]1(O)c1ccccc1 96026920 343692931 /nfs/dbraw/zinc/69/29/31/343692931.db2.gz XSVDDNHOLNHOML-JQWIXIFHSA-N 1 0 191.274 1.646 50 0 ADAARO CC[N@@H+]1CC[C@@H](OC(=O)C(C)(C)C)C1 96026990 343692938 /nfs/dbraw/zinc/69/29/38/343692938.db2.gz NLPNAGJBNHWKQL-SECBINFHSA-N 1 0 199.294 1.670 50 0 ADAARO CC[N@@H+]1CC[C@H](OC(=O)C(C)(C)C)C1 96026989 343692955 /nfs/dbraw/zinc/69/29/55/343692955.db2.gz NLPNAGJBNHWKQL-VIFPVBQESA-N 1 0 199.294 1.670 50 0 ADAARO C[NH2+]C(C)(C)[C@H](O)c1cccs1 96027899 343692961 /nfs/dbraw/zinc/69/29/61/343692961.db2.gz BAHAKPMEHUHYBG-MRVPVSSYSA-N 1 0 185.292 1.780 50 0 ADAARO CCC[NH2+][C@@H]1CCO[C@H]1C 96033409 343693792 /nfs/dbraw/zinc/69/37/92/343693792.db2.gz GWEULZGVXSSNFE-JGVFFNPUSA-N 1 0 143.230 1.163 50 0 ADAARO C[NH2+]C1C[C@@H](C)O[C@H](C)C1 96033677 343693955 /nfs/dbraw/zinc/69/39/55/343693955.db2.gz LTFZSDZHUIFZIZ-RNFRBKRXSA-N 1 0 143.230 1.162 50 0 ADAARO CCn1nccc1C[NH2+][C@H](C)COC 96033626 343693995 /nfs/dbraw/zinc/69/39/95/343693995.db2.gz IGALVXBRUOITFE-SECBINFHSA-N 1 0 197.282 1.028 50 0 ADAARO CCn1nccc1C[NH2+][C@@H](C)COC 96033625 343693999 /nfs/dbraw/zinc/69/39/99/343693999.db2.gz IGALVXBRUOITFE-VIFPVBQESA-N 1 0 197.282 1.028 50 0 ADAARO CC1(C)[NH2+]CC[C@@H]1C(F)(F)F 96034608 343694222 /nfs/dbraw/zinc/69/42/22/343694222.db2.gz UYTSKXBHSPEGJD-YFKPBYRVSA-N 1 0 167.174 1.937 50 0 in-vitro ADAARO CC1(C)[NH2+]CC[C@H]1C(F)(F)F 96034607 343694502 /nfs/dbraw/zinc/69/45/02/343694502.db2.gz UYTSKXBHSPEGJD-RXMQYKEDSA-N 1 0 167.174 1.937 50 0 in-vitro ADAARO Cc1ccc([C@@H](C[NH3+])OCCO)cc1 96096228 343694836 /nfs/dbraw/zinc/69/48/36/343694836.db2.gz AROHJWAJYCEULA-LLVKDONJSA-N 1 0 195.262 1.004 50 0 ADAARO Cc1ccc([C@H](C[NH3+])OCCO)cc1 96096229 343695148 /nfs/dbraw/zinc/69/51/48/343695148.db2.gz AROHJWAJYCEULA-NSHDSACASA-N 1 0 195.262 1.004 50 0 ADAARO CN(CC[NH3+])Cc1ccccc1Cl 96319874 343695994 /nfs/dbraw/zinc/69/59/94/343695994.db2.gz WBXQRAWIAAAYJR-UHFFFAOYSA-N 1 0 198.697 1.731 50 0 ADAARO C[C@H]1C[N@H+](C)C(C)(C)C[C@H]1O 96372350 343696785 /nfs/dbraw/zinc/69/67/85/343696785.db2.gz VCTKUJRILCIKDW-JGVFFNPUSA-N 1 0 157.257 1.098 50 0 ADAARO C[C@]12C[NH2+]CC[C@H]1C2(F)F 96361359 343696797 /nfs/dbraw/zinc/69/67/97/343696797.db2.gz HHJXUWXELJIINZ-RITPCOANSA-N 1 0 147.168 1.251 50 0 ADAARO CC1CC2(C[NH2+]C2)C1 96509279 343697223 /nfs/dbraw/zinc/69/72/23/343697223.db2.gz WTCFBROQCNCRKV-UHFFFAOYSA-N 1 0 111.188 1.006 50 0 ADAARO CC(C)n1cc([C@@H]2C[C@@H]2[NH3+])cn1 96509213 343697267 /nfs/dbraw/zinc/69/72/67/343697267.db2.gz WTXDURVWELXZKC-IUCAKERBSA-N 1 0 165.240 1.279 50 0 ADAARO CC(C)n1ccc([C@H](C)[NH3+])n1 96524117 343698231 /nfs/dbraw/zinc/69/82/31/343698231.db2.gz LJYGIVNOQQDJEA-ZETCQYMHSA-N 1 0 153.229 1.484 50 0 ADAARO CC(C)n1ccc([C@@H](C)[NH3+])n1 96524116 343698310 /nfs/dbraw/zinc/69/83/10/343698310.db2.gz LJYGIVNOQQDJEA-SSDOTTSWSA-N 1 0 153.229 1.484 50 0 ADAARO C[C@]1(c2cccc(F)c2)C[NH2+]CCO1 96526551 343698745 /nfs/dbraw/zinc/69/87/45/343698745.db2.gz SXUIHNBSLHYUMS-LLVKDONJSA-N 1 0 195.237 1.661 50 0 ADAARO C[C@@]1(c2cccc(F)c2)C[NH2+]CCO1 96526553 343699025 /nfs/dbraw/zinc/69/90/25/343699025.db2.gz SXUIHNBSLHYUMS-NSHDSACASA-N 1 0 195.237 1.661 50 0 ADAARO Cc1cnccc1[C@H]([NH3+])C1CC1 96554583 343699683 /nfs/dbraw/zinc/69/96/83/343699683.db2.gz IEDYEXSMKQBYKW-SNVBAGLBSA-N 1 0 162.236 1.800 50 0 ADAARO Cc1cnccc1[C@@H]([NH3+])C1CC1 96554584 343699728 /nfs/dbraw/zinc/69/97/28/343699728.db2.gz IEDYEXSMKQBYKW-JTQLQIEISA-N 1 0 162.236 1.800 50 0 ADAARO Cc1cncc([C@@H]([NH3+])C2CC2)c1 96554564 343699746 /nfs/dbraw/zinc/69/97/46/343699746.db2.gz LXVIRUUKKHDNCW-JTQLQIEISA-N 1 0 162.236 1.800 50 0 ADAARO Cc1cncc([C@H]([NH3+])C2CC2)c1 96554562 343699904 /nfs/dbraw/zinc/69/99/04/343699904.db2.gz LXVIRUUKKHDNCW-SNVBAGLBSA-N 1 0 162.236 1.800 50 0 ADAARO C[C@H](CCO)[NH2+]Cc1ccsc1 96811361 343700657 /nfs/dbraw/zinc/70/06/57/343700657.db2.gz WAZMFSHURPMFEE-MRVPVSSYSA-N 1 0 185.292 1.609 50 0 ADAARO Cc1ccc(C[NH2+][C@@H](C)CCO)s1 96811704 343700702 /nfs/dbraw/zinc/70/07/02/343700702.db2.gz DJRHPWXRFQDGNN-QMMMGPOBSA-N 1 0 199.319 1.917 50 0 ADAARO C[C@@H](CCO)[NH2+]Cc1ccsc1 96811360 343700787 /nfs/dbraw/zinc/70/07/87/343700787.db2.gz WAZMFSHURPMFEE-QMMMGPOBSA-N 1 0 185.292 1.609 50 0 ADAARO Cc1ccc(C[NH2+][C@H](C)CCO)s1 96811705 343700818 /nfs/dbraw/zinc/70/08/18/343700818.db2.gz DJRHPWXRFQDGNN-MRVPVSSYSA-N 1 0 199.319 1.917 50 0 ADAARO CC(C)[NH2+]CCN1CCCCC1 97150296 343701781 /nfs/dbraw/zinc/70/17/81/343701781.db2.gz ZMTRRVFYZHWSJY-UHFFFAOYSA-N 1 0 170.300 1.470 50 0 ADAARO CCn1cc([C@@H]2CSCC[NH2+]2)cn1 97054298 343701855 /nfs/dbraw/zinc/70/18/55/343701855.db2.gz ZEARRMCNCQDIJR-VIFPVBQESA-N 1 0 197.307 1.281 50 0 ADAARO CC[C@H](C)[NH2+]CCN1CCCCC1 97150294 343701865 /nfs/dbraw/zinc/70/18/65/343701865.db2.gz COHCGKHDVHWHEE-NSHDSACASA-N 1 0 184.327 1.860 50 0 ADAARO CCCC[N@H+](C)CCN1CCCC1=O 97159035 343702079 /nfs/dbraw/zinc/70/20/79/343702079.db2.gz CEWIUOYCROLNCG-UHFFFAOYSA-N 1 0 198.310 1.341 50 0 ADAARO CCn1cc([C@H]2CSCC[NH2+]2)cn1 97054305 343702124 /nfs/dbraw/zinc/70/21/24/343702124.db2.gz ZEARRMCNCQDIJR-SECBINFHSA-N 1 0 197.307 1.281 50 0 ADAARO CN1CC[NH2+][C@H](c2ccccc2)C1 97664119 343702914 /nfs/dbraw/zinc/70/29/14/343702914.db2.gz IRMBVBDXXYXPEW-NSHDSACASA-N 1 0 176.263 1.263 50 0 in-vitro ADAARO CN1CC[NH2+][C@@H](c2ccccc2)C1 97664120 343703030 /nfs/dbraw/zinc/70/30/30/343703030.db2.gz IRMBVBDXXYXPEW-LLVKDONJSA-N 1 0 176.263 1.263 50 0 in-vitro ADAARO CC[C@H]1[NH+]=CNC=C1Br 97756650 343703483 /nfs/dbraw/zinc/70/34/83/343703483.db2.gz SATOWWCSWKAUNO-ZCFIWIBFSA-N 1 0 189.056 1.633 50 0 ADAARO C[C@H]1CCC[C@@H](C)[N@@H+]1CCN 97785670 343703858 /nfs/dbraw/zinc/70/38/58/343703858.db2.gz DQQHMRVHTMHDGE-DTORHVGOSA-N 1 0 156.273 1.208 50 0 in-vitro ADAARO CCn1cncc1[C@H]1CCCC[NH2+]1 98210248 343707676 /nfs/dbraw/zinc/70/76/76/343707676.db2.gz ZPBHUFVRSMEBET-SECBINFHSA-N 1 0 179.267 1.718 50 0 in-vitro ADAARO CCn1cncc1[C@@H]1CCCC[NH2+]1 98210247 343707729 /nfs/dbraw/zinc/70/77/29/343707729.db2.gz ZPBHUFVRSMEBET-VIFPVBQESA-N 1 0 179.267 1.718 50 0 in-vitro ADAARO CC1(C)C[C@]2(CC[NH2+]C2)CO1 98213451 343707772 /nfs/dbraw/zinc/70/77/72/343707772.db2.gz VLVLCKNPSNJGDP-VIFPVBQESA-N 1 0 155.241 1.165 50 0 ADAARO C[C@H]1CC[C@H]([NH3+])CC1 100004326 343707962 /nfs/dbraw/zinc/70/79/62/343707962.db2.gz KSMVBYPXNKCPAJ-KNVOCYPGSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO CC1(C)CC([NH3+])CC(C)(C)N1O 100008377 343708319 /nfs/dbraw/zinc/70/83/19/343708319.db2.gz XUXUHDYTLNCYQQ-UHFFFAOYSA-N 1 0 171.264 1.312 50 0 ADAARO C[NH+](C)Cc1c[nH]c2c1NC=CN2 100191739 343712417 /nfs/dbraw/zinc/71/24/17/343712417.db2.gz GIYJQRHJWDGNHH-UHFFFAOYSA-N 1 0 178.239 1.385 50 0 ADAARO Cc1ccc2c(c1)CC(=[NH2+])N2 100182205 343712424 /nfs/dbraw/zinc/71/24/24/343712424.db2.gz OBBHOLGTEYOYPJ-UHFFFAOYSA-N 1 0 146.193 1.540 50 0 ADAARO C[C@H]([NH3+])[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2 100221061 343712953 /nfs/dbraw/zinc/71/29/53/343712953.db2.gz JVWKHPHTJHFQAN-HGCLJGPKSA-N 1 0 195.306 1.665 50 0 in-vitro ADAARO C[C@]12C[C@]3(O)C[C@](C)(C1)C[C@]([NH3+])(C2)C3 100247762 343713754 /nfs/dbraw/zinc/71/37/54/343713754.db2.gz HSRBAOBUCHCHTQ-IWDIQUIJSA-N 1 0 195.306 1.809 50 0 in-vitro ADAARO CN1C2=[NH+]CCN2c2ccccc21 100563136 343718869 /nfs/dbraw/zinc/71/88/69/343718869.db2.gz RSGHLTLAEOLGJH-UHFFFAOYSA-N 1 0 173.219 1.312 50 0 ADAARO CC(C)n1cc[nH+]c1N 100806394 343720559 /nfs/dbraw/zinc/72/05/59/343720559.db2.gz GDLAPQLBKLYDGT-UHFFFAOYSA-N 1 0 125.175 1.046 50 0 ADAARO C[C@@H]1[C@@H]([NH3+])CCC[C@H]1C 100802028 343720630 /nfs/dbraw/zinc/72/06/30/343720630.db2.gz LKWOOKWVBNSLGN-CSMHCCOUSA-N 1 0 127.231 1.770 50 0 ADAARO C#C[C@]1(O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]21 100833416 343720830 /nfs/dbraw/zinc/72/08/30/343720830.db2.gz CGXPLMNBJQMOOL-BJDJZHNGSA-N 1 0 193.290 1.291 50 0 ADAARO C[C@H](O)C[NH2+][C@H]1CCC[C@H](C)C1 100835691 343720842 /nfs/dbraw/zinc/72/08/42/343720842.db2.gz NRPGTWMBGPTPRM-GUBZILKMSA-N 1 0 171.284 1.536 50 0 ADAARO C[C@H]1CCC[N@@H+]([C@H](C)CO)C1 101001407 343721589 /nfs/dbraw/zinc/72/15/89/343721589.db2.gz IVFMCLNSQCOKJU-DTWKUNHWSA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO C[C@H](N)C[N@@H+]1CCC[C@H](C)C1 101201865 343723094 /nfs/dbraw/zinc/72/30/94/343723094.db2.gz OPSPNTUNGOXOIC-IUCAKERBSA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO C[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 101226202 343723150 /nfs/dbraw/zinc/72/31/50/343723150.db2.gz KPZUTWRAYCDKMP-ZJUUUORDSA-N 1 0 168.284 1.080 50 0 ADAARO C[C@H](N)C[NH+]1C[C@@H](C)C[C@H](C)C1 101211029 343723156 /nfs/dbraw/zinc/72/31/56/343723156.db2.gz JYXDJWHFBOONFW-GUBZILKMSA-N 1 0 170.300 1.312 50 0 in-vitro ADAARO C[C@H](c1ccccc1)N1CC[C@@H]([NH3+])C1 101202472 343723194 /nfs/dbraw/zinc/72/31/94/343723194.db2.gz UPDDLDNYCOENHW-ZYHUDNBSSA-N 1 0 190.290 1.781 50 0 in-vitro ADAARO C[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 101226207 343723201 /nfs/dbraw/zinc/72/32/01/343723201.db2.gz KPZUTWRAYCDKMP-UWVGGRQHSA-N 1 0 168.284 1.080 50 0 ADAARO C[C@H]1CCC[N@@H+]([C@H](C)CN)C1 101266174 343723204 /nfs/dbraw/zinc/72/32/04/343723204.db2.gz UZMIFBCNBIXTAN-DTWKUNHWSA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO CCC[N@@H+]1CCC[C@@H]([C@H](C)O)C1 101344810 343723531 /nfs/dbraw/zinc/72/35/31/343723531.db2.gz QDWRCNCPOBBLRJ-VHSXEESVSA-N 1 0 171.284 1.489 50 0 in-vitro ADAARO CCC[N@@H+]1CCC[C@H]([C@H](C)O)C1 101344807 343723649 /nfs/dbraw/zinc/72/36/49/343723649.db2.gz QDWRCNCPOBBLRJ-UWVGGRQHSA-N 1 0 171.284 1.489 50 0 in-vitro ADAARO C[C@@H]1CC[C@@H]([NH3+])C[C@H]1C 101632130 343724458 /nfs/dbraw/zinc/72/44/58/343724458.db2.gz PKVFZJADFGHKEM-BWZBUEFSSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO C[C@@H]1CC[C@H]([NH3+])C[C@H]1C 101632132 343724512 /nfs/dbraw/zinc/72/45/12/343724512.db2.gz PKVFZJADFGHKEM-PRJMDXOYSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H]1Oc2ccccc2[C@@H]1C 101648268 343724933 /nfs/dbraw/zinc/72/49/33/343724933.db2.gz PIBPWCHMFHZHNL-DKCNOQQISA-N 1 0 177.247 1.898 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@H]1Oc2ccccc2[C@@H]1C 101648272 343724934 /nfs/dbraw/zinc/72/49/34/343724934.db2.gz PIBPWCHMFHZHNL-LAEOZQHASA-N 1 0 177.247 1.898 50 0 in-vitro ADAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCCC1=O 101640330 343724945 /nfs/dbraw/zinc/72/49/45/343724945.db2.gz WCSFWFSXBSMKMY-NXEZZACHSA-N 1 0 181.279 1.840 50 0 in-vitro ADAARO CC1(C)C[C@H](C[NH3+])C(C)(C)N1O 101967075 343725238 /nfs/dbraw/zinc/72/52/38/343725238.db2.gz MMNYKXJVNIIIEG-SSDOTTSWSA-N 1 0 171.264 1.170 50 0 ADAARO CC1(C)C[C@@H](C[NH3+])C(C)(C)N1O 101967077 343725348 /nfs/dbraw/zinc/72/53/48/343725348.db2.gz MMNYKXJVNIIIEG-ZETCQYMHSA-N 1 0 171.264 1.170 50 0 ADAARO CC1=C[C@H](C)[C@@H](C[NH2+]CCO)[C@H](C)C1 102673832 343726262 /nfs/dbraw/zinc/72/62/62/343726262.db2.gz VOAIBLFABWQTSQ-QJPTWQEYSA-N 1 0 197.322 1.807 50 0 ADAARO CC1=C[C@H](C)[C@@H](C[NH2+]CCO)[C@@H](C)C1 102673830 343726324 /nfs/dbraw/zinc/72/63/24/343726324.db2.gz VOAIBLFABWQTSQ-SDDRHHMPSA-N 1 0 197.322 1.807 50 0 ADAARO C[C@H]1C=C(N)[NH2+]N1c1ccccc1 103746679 343727998 /nfs/dbraw/zinc/72/79/98/343727998.db2.gz NXLPRPBPDJSFNI-QMMMGPOBSA-N 1 0 175.235 1.200 50 0 ADAARO Cc1ncccc1[C@H]([NH3+])C1CC1 104451814 343731674 /nfs/dbraw/zinc/73/16/74/343731674.db2.gz BUWPAUBWNFFKLC-SNVBAGLBSA-N 1 0 162.236 1.800 50 0 ADAARO Cc1cc([C@H]([NH3+])C2CC2)ccn1 104517888 343731822 /nfs/dbraw/zinc/73/18/22/343731822.db2.gz JWUGDYVSINJETK-SNVBAGLBSA-N 1 0 162.236 1.800 50 0 ADAARO FC1(F)CCC[C@H]2C[NH2+]C[C@H]21 104553497 343732356 /nfs/dbraw/zinc/73/23/56/343732356.db2.gz QMVPTWXGZCVQFG-NKWVEPMBSA-N 1 0 161.195 1.641 50 0 ADAARO FC1(F)CCC[C@H]2C[NH2+]C[C@@H]21 104553484 343732516 /nfs/dbraw/zinc/73/25/16/343732516.db2.gz QMVPTWXGZCVQFG-BQBZGAKWSA-N 1 0 161.195 1.641 50 0 ADAARO FC1(F)CCC[C@@H]2C[NH2+]C[C@@H]21 104553476 343732538 /nfs/dbraw/zinc/73/25/38/343732538.db2.gz QMVPTWXGZCVQFG-RQJHMYQMSA-N 1 0 161.195 1.641 50 0 ADAARO FC1(F)CCC[C@@H]2C[NH2+]C[C@H]21 104553492 343732619 /nfs/dbraw/zinc/73/26/19/343732619.db2.gz QMVPTWXGZCVQFG-RNFRBKRXSA-N 1 0 161.195 1.641 50 0 ADAARO C[C@H]1C[C@@H](C)C[C@H]([NH3+])C1 104568164 343733114 /nfs/dbraw/zinc/73/31/14/343733114.db2.gz AUVPFHDQSZJPSZ-JIGDXULJSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO [NH3+][C@H]1CC[C@@H](CF)CC1 104571682 343733141 /nfs/dbraw/zinc/73/31/41/343733141.db2.gz PUADPFVHIOXSAD-LJGSYFOKSA-N 1 0 131.194 1.473 50 0 ADAARO C[C@@]1([NH3+])Cc2ccccc21 104597577 343733468 /nfs/dbraw/zinc/73/34/68/343733468.db2.gz PGQILBLSHQORKS-SECBINFHSA-N 1 0 133.194 1.417 50 0 ADAARO CC(C)(C)[C@H]([NH3+])C(C)(C)O 104600526 343734008 /nfs/dbraw/zinc/73/40/08/343734008.db2.gz ZHSGNEYTSQTYMX-LURJTMIESA-N 1 0 145.246 1.131 50 0 ADAARO [NH3+]Cc1cccc2c1CCC2 104640708 343734011 /nfs/dbraw/zinc/73/40/11/343734011.db2.gz KHEAFXLBELPDBH-UHFFFAOYSA-N 1 0 147.221 1.634 50 0 ADAARO Cc1cc([C@@H]([NH3+])C2CC2)ccn1 104659903 343734506 /nfs/dbraw/zinc/73/45/06/343734506.db2.gz JWUGDYVSINJETK-JTQLQIEISA-N 1 0 162.236 1.800 50 0 ADAARO CC(C)C[C@@H]([NH3+])C(C)(C)O 104649747 343734509 /nfs/dbraw/zinc/73/45/09/343734509.db2.gz JSOXSSLAYMTIMV-SSDOTTSWSA-N 1 0 145.246 1.131 50 0 ADAARO Cc1ncccc1[C@@H]([NH3+])C1CC1 104660084 343734609 /nfs/dbraw/zinc/73/46/09/343734609.db2.gz BUWPAUBWNFFKLC-JTQLQIEISA-N 1 0 162.236 1.800 50 0 ADAARO C[C@H]([NH3+])c1c(F)cncc1F 104668572 343734693 /nfs/dbraw/zinc/73/46/93/343734693.db2.gz SNTNAXQGPHXUJO-BYPYZUCNSA-N 1 0 158.151 1.380 50 0 in-vitro ADAARO CC1=C[C@H](C)C[NH2+]C1 104705526 343735346 /nfs/dbraw/zinc/73/53/46/343735346.db2.gz BTGJKEHAMBVEBR-LURJTMIESA-N 1 0 111.188 1.172 50 0 in-vitro ADAARO C[C@H]1Cc2c[nH+]ccc2N1 104709745 343735902 /nfs/dbraw/zinc/73/59/02/343735902.db2.gz IOFSTFQOYBBFHU-LURJTMIESA-N 1 0 134.182 1.438 50 0 in-vitro ADAARO CC(C)([NH3+])CCF 107114285 343739522 /nfs/dbraw/zinc/73/95/22/343739522.db2.gz RITZSPXTPJXSQS-UHFFFAOYSA-N 1 0 105.156 1.083 50 0 ADAARO CC[C@]1(F)CC[NH2+]C1 107114439 343740126 /nfs/dbraw/zinc/74/01/26/343740126.db2.gz ZGRJHMKJQXTZME-LURJTMIESA-N 1 0 117.167 1.098 50 0 ADAARO FCCCC1CC[NH2+]CC1 107116615 343740436 /nfs/dbraw/zinc/74/04/36/343740436.db2.gz VCUCMWNVTZMTKX-UHFFFAOYSA-N 1 0 145.221 1.736 50 0 ADAARO c1cc([C@@H]2CCC[NH2+]CC2)ccn1 107125574 343742254 /nfs/dbraw/zinc/74/22/54/343742254.db2.gz KECVVBOWVKCCFM-SNVBAGLBSA-N 1 0 176.263 1.939 50 0 ADAARO c1cc([C@H]2CCC[NH2+]CC2)ccn1 107125577 343742439 /nfs/dbraw/zinc/74/24/39/343742439.db2.gz KECVVBOWVKCCFM-JTQLQIEISA-N 1 0 176.263 1.939 50 0 ADAARO [NH3+]CC1(Cc2cccnc2)CCC1 107125628 343742509 /nfs/dbraw/zinc/74/25/09/343742509.db2.gz VGCNWQDNNABMLW-UHFFFAOYSA-N 1 0 176.263 1.753 50 0 ADAARO C1CC[C@@H](C2CCOCC2)C[NH2+]C1 107129828 343743246 /nfs/dbraw/zinc/74/32/46/343743246.db2.gz SUVDCNQDCJXNDX-LLVKDONJSA-N 1 0 183.295 1.803 50 0 ADAARO C1CC[C@H](C2CCOCC2)C[NH2+]C1 107129830 343743441 /nfs/dbraw/zinc/74/34/41/343743441.db2.gz SUVDCNQDCJXNDX-NSHDSACASA-N 1 0 183.295 1.803 50 0 ADAARO CC(C)(C)[C@@H]1C[C@H]1[NH3+] 107155750 343744500 /nfs/dbraw/zinc/74/45/00/343744500.db2.gz KHRIUKFZVVZEBY-PHDIDXHHSA-N 1 0 113.204 1.380 50 0 ADAARO [NH3+]CC[C@@H]1CCC[C@@H]2C[C@H]12 107156445 343744583 /nfs/dbraw/zinc/74/45/83/343744583.db2.gz XFZMEJTZPTYOMV-DJLDLDEBSA-N 1 0 139.242 1.771 50 0 ADAARO CC[C@](C[NH3+])(OC)c1ccccc1 107167529 343745810 /nfs/dbraw/zinc/74/58/10/343745810.db2.gz ZRXNASZINLKNJT-LLVKDONJSA-N 1 0 179.263 1.897 50 0 ADAARO CC[C@@](C[NH3+])(OC)c1ccccc1 107167531 343745892 /nfs/dbraw/zinc/74/58/92/343745892.db2.gz ZRXNASZINLKNJT-NSHDSACASA-N 1 0 179.263 1.897 50 0 ADAARO [NH3+]Cc1cc(C(F)(F)F)no1 107221754 343747879 /nfs/dbraw/zinc/74/78/79/343747879.db2.gz VQMOSOUQQBVCPV-UHFFFAOYSA-N 1 0 166.102 1.152 50 0 in-vitro ADAARO [NH3+]C[C@H](F)Cc1ccccc1 107257602 343747925 /nfs/dbraw/zinc/74/79/25/343747925.db2.gz KZJGAIPOKXGDIA-SECBINFHSA-N 1 0 153.200 1.526 50 0 ADAARO [NH3+]C[C@@H](F)Cc1ccccc1 107257599 343748065 /nfs/dbraw/zinc/74/80/65/343748065.db2.gz KZJGAIPOKXGDIA-VIFPVBQESA-N 1 0 153.200 1.526 50 0 ADAARO [NH3+]C[C@H](F)C1CCCC1 108280414 343751005 /nfs/dbraw/zinc/75/10/05/343751005.db2.gz JIKKSQDJMBUDJJ-ZETCQYMHSA-N 1 0 131.194 1.473 50 0 ADAARO [NH3+]C[C@@H](F)C1CCCC1 108280411 343751010 /nfs/dbraw/zinc/75/10/10/343751010.db2.gz JIKKSQDJMBUDJJ-SSDOTTSWSA-N 1 0 131.194 1.473 50 0 ADAARO [NH3+]C[C@@H](F)CC1CCC1 108280404 343751196 /nfs/dbraw/zinc/75/11/96/343751196.db2.gz KXBARRCZKWGRMT-ZETCQYMHSA-N 1 0 131.194 1.473 50 0 ADAARO [NH3+]C[C@H](F)CC1CCC1 108280407 343751211 /nfs/dbraw/zinc/75/12/11/343751211.db2.gz KXBARRCZKWGRMT-SSDOTTSWSA-N 1 0 131.194 1.473 50 0 ADAARO CC(C)(C)[C@]1(C)C[NH2+]CCO1 108284139 343751241 /nfs/dbraw/zinc/75/12/41/343751241.db2.gz GIGKHNPRTHOMSB-VIFPVBQESA-N 1 0 157.257 1.411 50 0 ADAARO CC(C)(C)[C@@]1(C)C[NH2+]CCO1 108284136 343751254 /nfs/dbraw/zinc/75/12/54/343751254.db2.gz GIGKHNPRTHOMSB-SECBINFHSA-N 1 0 157.257 1.411 50 0 ADAARO [NH3+][C@H](CO)c1ccc(OC2CC2)cc1 108373365 343752978 /nfs/dbraw/zinc/75/29/78/343752978.db2.gz DQPNMRRXOTUKSU-LLVKDONJSA-N 1 0 193.246 1.220 50 0 ADAARO C[C@@]1(F)CCC[NH2+]CC1 110916107 343753841 /nfs/dbraw/zinc/75/38/41/343753841.db2.gz HRAWFHJFJYXNTN-SSDOTTSWSA-N 1 0 131.194 1.488 50 0 ADAARO C[C@]1(F)CCC[NH2+]CC1 110916104 343753721 /nfs/dbraw/zinc/75/37/21/343753721.db2.gz HRAWFHJFJYXNTN-ZETCQYMHSA-N 1 0 131.194 1.488 50 0 ADAARO Cc1c(C)[n+](=O)c2ccccc2n1O 111390685 343754176 /nfs/dbraw/zinc/75/41/76/343754176.db2.gz WCVAWFVBJXMJFZ-UHFFFAOYSA-N 1 0 191.210 1.410 50 0 ADAARO Cc1cccc(CC2CC[NH2+]CC2)n1 111854620 343754699 /nfs/dbraw/zinc/75/46/99/343754699.db2.gz XBTHIMBLQMEOIX-UHFFFAOYSA-N 1 0 190.290 1.932 50 0 ADAARO C[C@H]1CCCN([C@H]2CCC[NH2+]C2)C1 112940615 343755882 /nfs/dbraw/zinc/75/58/82/343755882.db2.gz CJWRVRINIMDENH-QWRGUYRKSA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO C[C@@H]1CCCN([C@H]2CCC[NH2+]C2)C1 112940618 343756078 /nfs/dbraw/zinc/75/60/78/343756078.db2.gz CJWRVRINIMDENH-MNOVXSKESA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO CC1(C)C[NH2+][C@H]1c1cccnc1 113226454 343757607 /nfs/dbraw/zinc/75/76/07/343757607.db2.gz OXXJANOVAFHSPQ-VIFPVBQESA-N 1 0 162.236 1.752 50 0 in-vitro ADAARO CC1(C)C[NH2+][C@@H]1c1cccnc1 113226452 343757697 /nfs/dbraw/zinc/75/76/97/343757697.db2.gz OXXJANOVAFHSPQ-SECBINFHSA-N 1 0 162.236 1.752 50 0 in-vitro ADAARO CC1(C)[NH2+]CCc2cc(O)ccc21 113583329 343759244 /nfs/dbraw/zinc/75/92/44/343759244.db2.gz BRCLAMCVMFMRNS-UHFFFAOYSA-N 1 0 177.247 1.773 50 0 ADAARO COC[C@H]1CC[C@@H]([NH3+])CC1 113706101 343759814 /nfs/dbraw/zinc/75/98/14/343759814.db2.gz KVAVSBWXDWZOFL-ZKCHVHJHSA-N 1 0 143.230 1.150 50 0 ADAARO C[C@H]1C[C@H](C)CC[C@H]1[NH3+] 113818420 343760204 /nfs/dbraw/zinc/76/02/04/343760204.db2.gz HWRRQRKPNKYPBW-GJMOJQLCSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO Cc1c(F)cccc1[C@H]1COC(=[NH2+])N1 113977145 343760807 /nfs/dbraw/zinc/76/08/07/343760807.db2.gz IOHOUWIYOVWGHV-SECBINFHSA-N 1 0 194.209 1.520 50 0 ADAARO Cc1c(F)cccc1[C@@H]1COC(=[NH2+])N1 113977144 343760954 /nfs/dbraw/zinc/76/09/54/343760954.db2.gz IOHOUWIYOVWGHV-VIFPVBQESA-N 1 0 194.209 1.520 50 0 in-vitro ADAARO CC(C)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 114118456 343761376 /nfs/dbraw/zinc/76/13/76/343761376.db2.gz BOURUQSYGHLHLB-KYZUINATSA-N 1 0 184.283 1.029 50 0 ADAARO Nc1cc(-c2ccccc2)cc(N)[nH+]1 114809852 343764971 /nfs/dbraw/zinc/76/49/71/343764971.db2.gz YXRHGEAYYDCLBX-UHFFFAOYSA-N 1 0 185.230 1.913 50 0 ADAARO Nc1cc[nH+]c(N)c1C(F)(F)F 116336391 343769064 /nfs/dbraw/zinc/76/90/64/343769064.db2.gz ZJVVIEKMOKNGGD-UHFFFAOYSA-N 1 0 177.129 1.265 50 0 ADAARO CC(C)(O)[C@H]1CC[C@@H]([NH3+])CC1 116474560 343769513 /nfs/dbraw/zinc/76/95/13/343769513.db2.gz IUGMKNUWVITXNR-ZKCHVHJHSA-N 1 0 157.257 1.275 50 0 in-vitro ADAARO COC(=O)[C@]1([NH3+])CC[C@H](C)CC1 117176780 343771995 /nfs/dbraw/zinc/77/19/95/343771995.db2.gz QXRALRQVSKYBDB-XWEPSHTISA-N 1 0 171.240 1.067 50 0 ADAARO Cc1cc(N)ccc1C[NH+](C)C 118226711 343774780 /nfs/dbraw/zinc/77/47/80/343774780.db2.gz LWVJANMCUNEPPA-UHFFFAOYSA-N 1 0 164.252 1.639 50 0 in-vitro ADAARO C[C@@H](O)c1cc(C[NH3+])ccc1[N+](=O)[O-] 118159425 343774879 /nfs/dbraw/zinc/77/48/79/343774879.db2.gz WRMWXDOPJMJUDR-ZCFIWIBFSA-N 1 0 196.206 1.107 50 0 ADAARO C[C@H](O)c1cc(C[NH3+])ccc1[N+](=O)[O-] 118159428 343775034 /nfs/dbraw/zinc/77/50/34/343775034.db2.gz WRMWXDOPJMJUDR-LURJTMIESA-N 1 0 196.206 1.107 50 0 ADAARO CC[C@H]([NH3+])[C@H]1C[C@H]1C 122573870 343780562 /nfs/dbraw/zinc/78/05/62/343780562.db2.gz LJEXECLDZCJGIE-VQVTYTSYSA-N 1 0 113.204 1.380 50 0 ADAARO CCC(=O)c1ccc2c(c1)C[NH2+]C2 124350487 343786519 /nfs/dbraw/zinc/78/65/19/343786519.db2.gz HIVMTTLLIWIQRJ-UHFFFAOYSA-N 1 0 175.231 1.883 50 0 in-vitro ADAARO COC(=O)[C@@H]1C[NH2+]CC12CCCCC2 126180774 343792807 /nfs/dbraw/zinc/79/28/07/343792807.db2.gz RUNXDXJEEAACRR-VIFPVBQESA-N 1 0 197.278 1.329 50 0 ADAARO CCC[C@@H](O)[C@H]([NH3+])c1ccccc1 126215041 343792992 /nfs/dbraw/zinc/79/29/92/343792992.db2.gz MNYHYBGIELVTNM-GHMZBOCLSA-N 1 0 179.263 1.847 50 0 ADAARO COC(=O)[C@H]1C[NH2+]CC12CCCCC2 126181009 343793060 /nfs/dbraw/zinc/79/30/60/343793060.db2.gz RUNXDXJEEAACRR-SECBINFHSA-N 1 0 197.278 1.329 50 0 ADAARO C1CC[C@H]([C@@H]2CCOC2)C[NH2+]C1 128621920 343834661 /nfs/dbraw/zinc/83/46/61/343834661.db2.gz DMDIUHSDJYBJFE-VHSXEESVSA-N 1 0 169.268 1.413 50 0 ADAARO C1CC[C@@H]([C@@H]2CCOC2)C[NH2+]C1 128621719 343834722 /nfs/dbraw/zinc/83/47/22/343834722.db2.gz DMDIUHSDJYBJFE-NXEZZACHSA-N 1 0 169.268 1.413 50 0 ADAARO C1CC[C@H]([C@H]2CCOC2)C[NH2+]C1 128622360 343834835 /nfs/dbraw/zinc/83/48/35/343834835.db2.gz DMDIUHSDJYBJFE-UWVGGRQHSA-N 1 0 169.268 1.413 50 0 ADAARO C[C@H]1CN(c2ccncc2F)CC[NH2+]1 133636314 343923716 /nfs/dbraw/zinc/92/37/16/343923716.db2.gz CYYLHSCUIYFRNW-QMMMGPOBSA-N 1 0 195.241 1.019 50 0 ADAARO C[C@@H]1CN(c2ccncc2F)CC[NH2+]1 133636119 343923791 /nfs/dbraw/zinc/92/37/91/343923791.db2.gz CYYLHSCUIYFRNW-MRVPVSSYSA-N 1 0 195.241 1.019 50 0 ADAARO FC(F)C[C@@H]1CCC[NH2+]C1 134201292 343936337 /nfs/dbraw/zinc/93/63/37/343936337.db2.gz BOVRMIHPWXWIGO-LURJTMIESA-N 1 0 149.184 1.641 50 0 ADAARO FC(F)C[C@H]1CCC[NH2+]C1 134201167 343936395 /nfs/dbraw/zinc/93/63/95/343936395.db2.gz BOVRMIHPWXWIGO-ZCFIWIBFSA-N 1 0 149.184 1.641 50 0 ADAARO CC[C@H](C)[N@@H+]1CCNC[C@H]1C 135081335 343954216 /nfs/dbraw/zinc/95/42/16/343954216.db2.gz LFQMHTLYWHHVFZ-DTWKUNHWSA-N 1 0 156.273 1.079 50 0 ADAARO Cc1cnc(CCO)c(C)c1 136672249 343982102 /nfs/dbraw/zinc/98/21/02/343982102.db2.gz JJWHNEPBZFMEJS-UHFFFAOYSA-N 1 0 151.209 1.233 50 0 ADAARO CC1=C(C)[N+](=O)C(C)(C)[C@@H](C)N1O 136851683 343982191 /nfs/dbraw/zinc/98/21/91/343982191.db2.gz XZKISPSGJSYORA-MRVPVSSYSA-N 1 0 185.247 1.889 50 0 ADAARO CC1=C(C)[N+](=O)C(C)(C)[C@H](C)N1O 136851721 343982367 /nfs/dbraw/zinc/98/23/67/343982367.db2.gz XZKISPSGJSYORA-QMMMGPOBSA-N 1 0 185.247 1.889 50 0 ADAARO C1=CC2(CCCCC2)[NH2+]C1 137631739 343986202 /nfs/dbraw/zinc/98/62/02/343986202.db2.gz XQJPKVRKESBWPB-UHFFFAOYSA-N 1 0 137.226 1.849 50 0 ADAARO C[NH+](C)Cc1cc(F)cc(CO)c1 140346723 343999431 /nfs/dbraw/zinc/99/94/31/343999431.db2.gz JTRWMUBSJYTETD-UHFFFAOYSA-N 1 0 183.226 1.380 50 0 in-vitro ADAARO C[NH+](C)Cc1cc(F)cc(C=O)c1 140304932 343999642 /nfs/dbraw/zinc/99/96/42/343999642.db2.gz FJEBZROCCLWOGU-UHFFFAOYSA-N 1 0 181.210 1.700 50 0 in-vitro ADAARO [NH3+][C@H]1CC[C@H](F)CC1 142885556 344015787 /nfs/dbraw/zinc/01/57/87/344015787.db2.gz VHTWEUCMRHPAAN-OLQVQODUSA-N 1 0 117.167 1.226 50 0 in-vitro ADAARO CC1(C)CC[C@@H]1[NH3+] 143101402 344016832 /nfs/dbraw/zinc/01/68/32/344016832.db2.gz MMWAHLXGFZBYQU-YFKPBYRVSA-N 1 0 99.177 1.134 50 0 ADAARO CCc1cccn2ccnc12 143642362 344020891 /nfs/dbraw/zinc/02/08/91/344020891.db2.gz UDUAVYJWICMWEY-UHFFFAOYSA-N 1 0 146.193 1.897 50 0 ADAARO C1=C(c2cccnc2)C[NH2+]CC1 143880245 344022842 /nfs/dbraw/zinc/02/28/42/344022842.db2.gz DVRMKUDHJBWBOJ-UHFFFAOYSA-N 1 0 160.220 1.458 50 0 ADAARO C[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 143917480 344022906 /nfs/dbraw/zinc/02/29/06/344022906.db2.gz ZJHBAERTGJSGHX-IWSPIJDZSA-N 1 0 139.242 1.927 50 0 in-vitro ADAARO C1=C(c2ccncc2)C[NH2+]CC1 143883966 344022969 /nfs/dbraw/zinc/02/29/69/344022969.db2.gz IYIUNDLBVOJXGO-UHFFFAOYSA-N 1 0 160.220 1.458 50 0 in-vitro ADAARO ONc1cc2ccccc2c(NO)n1 144643479 344028548 /nfs/dbraw/zinc/02/85/48/344028548.db2.gz UVUTYYYETLEJHS-UHFFFAOYSA-N 1 0 191.190 1.837 50 0 ADAARO [NH3+]Cc1cc(F)c(F)cc1[N+](=O)[O-] 144695029 344029099 /nfs/dbraw/zinc/02/90/99/344029099.db2.gz ZINAENHWUYVZIN-UHFFFAOYSA-N 1 0 188.133 1.332 50 0 ADAARO CCC(O)(CC)C(C)(C)[NH3+] 144938839 344030225 /nfs/dbraw/zinc/03/02/25/344030225.db2.gz BCJXVWIKSFCJSP-UHFFFAOYSA-N 1 0 145.246 1.275 50 0 ADAARO [NH3+]C1CC[NH+](CC2=CCCCC2)CC1 145864214 344036473 /nfs/dbraw/zinc/03/64/73/344036473.db2.gz LTDOZLFWOIARHS-UHFFFAOYSA-N 1 0 194.322 1.910 50 0 ADAARO CC1(C)CC2(C[NH2+]C2)C1 146277848 344040111 /nfs/dbraw/zinc/04/01/11/344040111.db2.gz FRRNNGLWUZAGSL-UHFFFAOYSA-N 1 0 125.215 1.396 50 0 ADAARO C=CCOC1(C)CC[NH2+]CC1 146567535 344041467 /nfs/dbraw/zinc/04/14/67/344041467.db2.gz XGOONJGQNKCWLR-UHFFFAOYSA-N 1 0 155.241 1.331 50 0 ADAARO C[C@@H]1CC[N@@H+](C(C)(C)C)C[C@H]1O 147056985 344043040 /nfs/dbraw/zinc/04/30/40/344043040.db2.gz TYIUEUAUKSQXAM-RKDXNWHRSA-N 1 0 171.284 1.488 50 0 ADAARO C[C@H]1CC[N@@H+](C(C)(C)C)C[C@H]1O 147058522 344043177 /nfs/dbraw/zinc/04/31/77/344043177.db2.gz TYIUEUAUKSQXAM-DTWKUNHWSA-N 1 0 171.284 1.488 50 0 ADAARO Cc1cccc([C@@]2(C)C[NH2+]CCO2)c1 147449947 344044121 /nfs/dbraw/zinc/04/41/21/344044121.db2.gz OIKYKRFMAZXFFY-GFCCVEGCSA-N 1 0 191.274 1.830 50 0 ADAARO Cc1cccc([C@]2(C)C[NH2+]CCO2)c1 147450185 344044210 /nfs/dbraw/zinc/04/42/10/344044210.db2.gz OIKYKRFMAZXFFY-LBPRGKRZSA-N 1 0 191.274 1.830 50 0 ADAARO CC(C)[NH+]1CCC([C@@H](C)O)CC1 147945122 344046163 /nfs/dbraw/zinc/04/61/63/344046163.db2.gz QMMKTHIFPYBSEX-SECBINFHSA-N 1 0 171.284 1.488 50 0 in-vitro ADAARO C[C@H]1c2ccccc2O[C@H]1C[NH3+] 148102258 344047994 /nfs/dbraw/zinc/04/79/94/344047994.db2.gz MCIKYKITSIYKKC-XVKPBYJWSA-N 1 0 163.220 1.510 50 0 ADAARO C[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 148653991 344057270 /nfs/dbraw/zinc/05/72/70/344057270.db2.gz ZJHBAERTGJSGHX-HRDYMLBCSA-N 1 0 139.242 1.927 50 0 in-vitro ADAARO CCC1C[C@@H]2CC[C@H](C1)[NH2+]2 149657938 344069101 /nfs/dbraw/zinc/06/91/01/344069101.db2.gz IBCUZBDMBATPTR-CBLAIPOGSA-N 1 0 139.242 1.927 50 0 ADAARO CN1c2ccccc2[C@H]2C[NH2+]CC[C@H]21 149719161 344070111 /nfs/dbraw/zinc/07/01/11/344070111.db2.gz JZNDLEDDYQQRAL-ZYHUDNBSSA-N 1 0 188.274 1.582 50 0 ADAARO CC1([NH+]2CCOCC2)CCC(=O)CC1 149976570 344074272 /nfs/dbraw/zinc/07/42/72/344074272.db2.gz GPCBTAQXTZJOFF-UHFFFAOYSA-N 1 0 197.278 1.220 50 0 ADAARO C[C@H](O)C[N@@H+]1CCCC[C@H]1C 156550406 344091013 /nfs/dbraw/zinc/09/10/13/344091013.db2.gz SJVZIMJRRLNDLA-BDAKNGLRSA-N 1 0 157.257 1.242 50 0 ADAARO COc1cnccc1[C@@H]([NH3+])C1CC1 157779198 344114175 /nfs/dbraw/zinc/11/41/75/344114175.db2.gz BEQRDQVCLGZDBT-JTQLQIEISA-N 1 0 178.235 1.500 50 0 ADAARO COc1cnccc1[C@H]([NH3+])C1CC1 157779063 344114460 /nfs/dbraw/zinc/11/44/60/344114460.db2.gz BEQRDQVCLGZDBT-SNVBAGLBSA-N 1 0 178.235 1.500 50 0 ADAARO FC(F)C[C@@H]1CC[NH2+]C1 158272606 344122942 /nfs/dbraw/zinc/12/29/42/344122942.db2.gz FEKPQSLPXNUZCV-YFKPBYRVSA-N 1 0 135.157 1.251 50 0 ADAARO FC(F)C[C@H]1CC[NH2+]C1 158272764 344123296 /nfs/dbraw/zinc/12/32/96/344123296.db2.gz FEKPQSLPXNUZCV-RXMQYKEDSA-N 1 0 135.157 1.251 50 0 ADAARO CO[C@@H]1CCC[C@H](O[C@H]2CC[NH2+]C2)C1 159121502 344139305 /nfs/dbraw/zinc/13/93/05/344139305.db2.gz NXILUPQLOIZMJQ-VWYCJHECSA-N 1 0 199.294 1.323 50 0 ADAARO CO[C@@H]1CCC[C@@H](O[C@H]2CC[NH2+]C2)C1 159121786 344139771 /nfs/dbraw/zinc/13/97/71/344139771.db2.gz NXILUPQLOIZMJQ-MXWKQRLJSA-N 1 0 199.294 1.323 50 0 ADAARO CC[C@@H]1C[NH2+]C[C@H]1N1CCC(C)CC1 160936500 344181034 /nfs/dbraw/zinc/18/10/34/344181034.db2.gz RRFJRMMQCHOATH-VXGBXAGGSA-N 1 0 196.338 1.716 50 0 ADAARO CC[C@H]1C[NH2+]C[C@@H]1N1CCC(C)CC1 160936382 344181156 /nfs/dbraw/zinc/18/11/56/344181156.db2.gz RRFJRMMQCHOATH-RYUDHWBXSA-N 1 0 196.338 1.716 50 0 ADAARO CC[C@H]1C[NH2+]C[C@H]1N1CCC(C)CC1 160936623 344181233 /nfs/dbraw/zinc/18/12/33/344181233.db2.gz RRFJRMMQCHOATH-NWDGAFQWSA-N 1 0 196.338 1.716 50 0 ADAARO CC[C@@H]1C[NH2+]C[C@@H]1N1CCC(C)CC1 160936249 344181235 /nfs/dbraw/zinc/18/12/35/344181235.db2.gz RRFJRMMQCHOATH-NEPJUHHUSA-N 1 0 196.338 1.716 50 0 ADAARO C[C@]([NH3+])(CO)Cc1ccc(F)cc1 161364849 344189697 /nfs/dbraw/zinc/18/96/97/344189697.db2.gz XTIZZBWUKPANHA-SNVBAGLBSA-N 1 0 183.226 1.078 50 0 in-vitro ADAARO C[C@@]([NH3+])(CO)Cc1ccc(F)cc1 161364992 344189969 /nfs/dbraw/zinc/18/99/69/344189969.db2.gz XTIZZBWUKPANHA-JTQLQIEISA-N 1 0 183.226 1.078 50 0 in-vitro ADAARO [NH3+][C@H](C1CCC1)[C@@H]1CCCO1 161381767 344190228 /nfs/dbraw/zinc/19/02/28/344190228.db2.gz HQFXMIBPOZEPTP-DTWKUNHWSA-N 1 0 155.241 1.293 50 0 in-vitro ADAARO [NH3+][C@@H](C1CCC1)[C@@H]1CCCO1 161381632 344190248 /nfs/dbraw/zinc/19/02/48/344190248.db2.gz HQFXMIBPOZEPTP-IUCAKERBSA-N 1 0 155.241 1.293 50 0 in-vitro ADAARO [NH3+][C@H](C1CCC1)[C@H]1CCCO1 161382002 344190352 /nfs/dbraw/zinc/19/03/52/344190352.db2.gz HQFXMIBPOZEPTP-RKDXNWHRSA-N 1 0 155.241 1.293 50 0 in-vitro ADAARO [NH3+][C@@H](C1CCC1)[C@H]1CCCO1 161381893 344190384 /nfs/dbraw/zinc/19/03/84/344190384.db2.gz HQFXMIBPOZEPTP-BDAKNGLRSA-N 1 0 155.241 1.293 50 0 in-vitro ADAARO C1CCC2(CCC2)C[NH2+]C1 161531721 344192920 /nfs/dbraw/zinc/19/29/20/344192920.db2.gz BLGBRNWHHKDLGR-UHFFFAOYSA-N 1 0 139.242 1.930 50 0 ADAARO Nc1nc2c(F)cc(F)cc2[nH]1 162592285 344210373 /nfs/dbraw/zinc/21/03/73/344210373.db2.gz HBDHBWGPJFKWGM-UHFFFAOYSA-N 1 0 169.134 1.423 50 0 ADAARO C[C@@]([NH3+])(CO)Cc1ccccc1F 162641126 344211736 /nfs/dbraw/zinc/21/17/36/344211736.db2.gz LHOKEBAENRKRNR-JTQLQIEISA-N 1 0 183.226 1.078 50 0 in-vitro ADAARO [NH3+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F 165126627 344258380 /nfs/dbraw/zinc/25/83/80/344258380.db2.gz YCXOVPSNSFZFHT-RKDXNWHRSA-N 1 0 183.201 1.994 50 0 ADAARO COC(C)(C)C1CC[NH2+]CC1 167514719 344307292 /nfs/dbraw/zinc/30/72/92/344307292.db2.gz HSBTXZQAKZTNCU-UHFFFAOYSA-N 1 0 157.257 1.411 50 0 ADAARO Cc1cc(C[NH3+])cc(N2CCCC2)n1 166507743 344283453 /nfs/dbraw/zinc/28/34/53/344283453.db2.gz VDZGKAHVIGSGJD-UHFFFAOYSA-N 1 0 191.278 1.449 50 0 in-vitro ADAARO C[C@H](C[NH3+])CC(F)F 166543078 344284564 /nfs/dbraw/zinc/28/45/64/344284564.db2.gz PGFRUHINHDONNY-BYPYZUCNSA-N 1 0 123.146 1.236 50 0 ADAARO C[NH+](C)CCCC(=O)c1cccnc1 166841057 344290241 /nfs/dbraw/zinc/29/02/41/344290241.db2.gz CEKBHUDHCUTONV-UHFFFAOYSA-N 1 0 192.262 1.606 50 0 ADAARO O=C1CCC2(CC[NH2+]CC2)C1 166959257 344293730 /nfs/dbraw/zinc/29/37/30/344293730.db2.gz ZWCVKPZAXXWBHU-UHFFFAOYSA-N 1 0 153.225 1.109 50 0 ADAARO C[C@@H]1CC[C@]([NH3+])(CO)c2ccccc21 167497535 344306697 /nfs/dbraw/zinc/30/66/97/344306697.db2.gz JURCSVPNGRJHOL-SKDRFNHKSA-N 1 0 191.274 1.730 50 0 ADAARO C[C@H]1CC[C@]([NH3+])(CO)c2ccccc21 167497643 344306905 /nfs/dbraw/zinc/30/69/05/344306905.db2.gz JURCSVPNGRJHOL-CABZTGNLSA-N 1 0 191.274 1.730 50 0 ADAARO C[C@@H]1CC[C@@]([NH3+])(CO)c2ccccc21 167497750 344306915 /nfs/dbraw/zinc/30/69/15/344306915.db2.gz JURCSVPNGRJHOL-BXKDBHETSA-N 1 0 191.274 1.730 50 0 ADAARO Cc1cccc2c1CCN2CC[NH3+] 168296162 344327387 /nfs/dbraw/zinc/32/73/87/344327387.db2.gz NYDXQXMAIOPKGR-UHFFFAOYSA-N 1 0 176.263 1.316 50 0 ADAARO C[C@H]1C[NH2+]CC(C)(C)CO1 168776676 344337114 /nfs/dbraw/zinc/33/71/14/344337114.db2.gz OWKXGWYYGZIINN-ZETCQYMHSA-N 1 0 143.230 1.021 50 0 ADAARO C[C@@H]1C[NH2+]CC(C)(C)CO1 168776575 344337184 /nfs/dbraw/zinc/33/71/84/344337184.db2.gz OWKXGWYYGZIINN-SSDOTTSWSA-N 1 0 143.230 1.021 50 0 ADAARO CC[C@@H]([NH3+])[C@@H]1CCCCO1 168852308 344338668 /nfs/dbraw/zinc/33/86/68/344338668.db2.gz XCPXNJBVVDSZBA-SFYZADRCSA-N 1 0 143.230 1.293 50 0 ADAARO CC[C@@H]([NH3+])[C@H]1CCCCO1 168852483 344338780 /nfs/dbraw/zinc/33/87/80/344338780.db2.gz XCPXNJBVVDSZBA-HTQZYQBOSA-N 1 0 143.230 1.293 50 0 ADAARO Cn1nccc1[C@H]1CCC[NH2+]CC1 168872625 344339025 /nfs/dbraw/zinc/33/90/25/344339025.db2.gz NCXIIHWJTZDNBT-VIFPVBQESA-N 1 0 179.267 1.277 50 0 ADAARO Cn1nccc1[C@@H]1CCC[NH2+]CC1 168872532 344339137 /nfs/dbraw/zinc/33/91/37/344339137.db2.gz NCXIIHWJTZDNBT-SECBINFHSA-N 1 0 179.267 1.277 50 0 ADAARO CC[S@](=O)[C@H]1CCC[C@@H]([NH3+])C1 169617355 344351351 /nfs/dbraw/zinc/35/13/51/344351351.db2.gz WZZVAVUXQCERPY-FYBVGQRMSA-N 1 0 175.297 1.025 50 0 in-vitro ADAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH3+])C1 169617353 344351499 /nfs/dbraw/zinc/35/14/99/344351499.db2.gz WZZVAVUXQCERPY-XLDPMVHQSA-N 1 0 175.297 1.025 50 0 in-vitro ADAARO CC1(C)[C@H]2CC[C@@H]1[C@H]([NH3+])C2 196041967 344355529 /nfs/dbraw/zinc/35/55/29/344355529.db2.gz XAMZWSAHMNHLQZ-XLPZGREQSA-N 1 0 139.242 1.770 50 0 in-vitro ADAARO CC(C)[C@H]1COC(=C2C=CC=C2)[NH2+]1 196759392 344358828 /nfs/dbraw/zinc/35/88/28/344358828.db2.gz QTVRQKAHGPLJAF-SNVBAGLBSA-N 1 0 177.247 1.968 50 0 ADAARO Cn1c(C(C)(C)C)c[nH+]c1N 201804177 344366192 /nfs/dbraw/zinc/36/61/92/344366192.db2.gz LVVWUJLCHOKUEQ-UHFFFAOYSA-N 1 0 153.229 1.300 50 0 ADAARO [NH3+]C[C@@H]1C[C@H](c2ccccc2)CO1 204782132 344370174 /nfs/dbraw/zinc/37/01/74/344370174.db2.gz AUEHVTZPXZGHPK-QWRGUYRKSA-N 1 0 177.247 1.518 50 0 ADAARO CN(C)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 205361424 344371070 /nfs/dbraw/zinc/37/10/70/344371070.db2.gz OVVDJVOZQBFYPR-VXGBXAGGSA-N 1 0 190.290 1.304 50 0 ADAARO CC1(C)[NH2+]CC[C@H]1N1CCCCC1 205361640 344371367 /nfs/dbraw/zinc/37/13/67/344371367.db2.gz OKAZFAKOCAOQDV-SNVBAGLBSA-N 1 0 182.311 1.613 50 0 ADAARO CC1(C)[NH2+]CC[C@H]1N1CCCC1 205361851 344371436 /nfs/dbraw/zinc/37/14/36/344371436.db2.gz GXPUFRLBSDDRHW-SECBINFHSA-N 1 0 168.284 1.223 50 0 ADAARO CC1(C)[NH2+]CC[C@@H]1N1CCCC1 205361861 344371528 /nfs/dbraw/zinc/37/15/28/344371528.db2.gz GXPUFRLBSDDRHW-VIFPVBQESA-N 1 0 168.284 1.223 50 0 ADAARO C[NH+](C)[C@@H]1CCC=CCC[C@H]1O 205886613 344374490 /nfs/dbraw/zinc/37/44/90/344374490.db2.gz PCYULBQAZMOGHN-NXEZZACHSA-N 1 0 169.268 1.408 50 0 ADAARO Cc1ccccc1[C@H]1C[NH2+]C[C@H]1N 211420101 344377898 /nfs/dbraw/zinc/37/78/98/344377898.db2.gz OAYRXZQFIGUTCS-GHMZBOCLSA-N 1 0 176.263 1.009 50 0 ADAARO Cc1ccccc1[C@@H]1C[NH2+]C[C@H]1N 211420032 344377911 /nfs/dbraw/zinc/37/79/11/344377911.db2.gz OAYRXZQFIGUTCS-WDEREUQCSA-N 1 0 176.263 1.009 50 0 ADAARO Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1N 211419964 344377934 /nfs/dbraw/zinc/37/79/34/344377934.db2.gz OAYRXZQFIGUTCS-MNOVXSKESA-N 1 0 176.263 1.009 50 0 ADAARO Cc1ccccc1[C@@H]1C[NH2+]C[C@@H]1N 211419895 344377937 /nfs/dbraw/zinc/37/79/37/344377937.db2.gz OAYRXZQFIGUTCS-QWRGUYRKSA-N 1 0 176.263 1.009 50 0 ADAARO CC(=O)c1cccc([C@H](C)[NH3+])c1 211773018 344378633 /nfs/dbraw/zinc/37/86/33/344378633.db2.gz SGZDPFWWMLLGAS-ZETCQYMHSA-N 1 0 163.220 1.909 50 0 ADAARO Oc1ccc(F)c2c1CC[NH2+]C2 212274496 344379982 /nfs/dbraw/zinc/37/99/82/344379982.db2.gz YAPQDOVDPGZOFA-UHFFFAOYSA-N 1 0 167.183 1.177 50 0 ADAARO C[NH+](C)[C@H]1CCC=CCC[C@@H]1O 214698894 344382744 /nfs/dbraw/zinc/38/27/44/344382744.db2.gz PCYULBQAZMOGHN-UWVGGRQHSA-N 1 0 169.268 1.408 50 0 ADAARO Oc1cc([C@H]2CCC[NH2+]C2)ccc1F 214800811 344383071 /nfs/dbraw/zinc/38/30/71/344383071.db2.gz URQZWGHSARCCSY-VIFPVBQESA-N 1 0 195.237 1.998 50 0 ADAARO Oc1cc([C@@H]2CCC[NH2+]C2)ccc1F 214800769 344383298 /nfs/dbraw/zinc/38/32/98/344383298.db2.gz URQZWGHSARCCSY-SECBINFHSA-N 1 0 195.237 1.998 50 0 ADAARO CCc1cncc(C[NH3+])c1 214951262 344384408 /nfs/dbraw/zinc/38/44/08/344384408.db2.gz IXXNMFUPRPNCPP-UHFFFAOYSA-N 1 0 136.198 1.103 50 0 ADAARO CC(C)C1(CO)CC[NH2+]CC1 215101535 344385962 /nfs/dbraw/zinc/38/59/62/344385962.db2.gz JSIAQGKTZFKOLO-UHFFFAOYSA-N 1 0 157.257 1.005 50 0 ADAARO CC(C)[C@]1(CO)CCC[NH2+]C1 215164141 344386635 /nfs/dbraw/zinc/38/66/35/344386635.db2.gz CHXUMKPVYHZWSN-SECBINFHSA-N 1 0 157.257 1.005 50 0 ADAARO CC(C)[C@@]1(CO)CCC[NH2+]C1 215164185 344386909 /nfs/dbraw/zinc/38/69/09/344386909.db2.gz CHXUMKPVYHZWSN-VIFPVBQESA-N 1 0 157.257 1.005 50 0 ADAARO COC(=O)[C@]1(C[NH3+])CC12CCCCC2 215477219 344389043 /nfs/dbraw/zinc/38/90/43/344389043.db2.gz KWJJSKRHHAQLDR-LLVKDONJSA-N 1 0 197.278 1.459 50 0 ADAARO COC(=O)[C@@]1(C[NH3+])CC12CCCCC2 215477266 344389076 /nfs/dbraw/zinc/38/90/76/344389076.db2.gz KWJJSKRHHAQLDR-NSHDSACASA-N 1 0 197.278 1.459 50 0 ADAARO NC[C@H]1CC[N@@H+]1C1CCCCC1 215767048 344391861 /nfs/dbraw/zinc/39/18/61/344391861.db2.gz UBKIBQJUVGCHNH-SNVBAGLBSA-N 1 0 168.284 1.352 50 0 ADAARO NC[C@@H]1CC[N@@H+]1C1CCCCC1 215767094 344391949 /nfs/dbraw/zinc/39/19/49/344391949.db2.gz UBKIBQJUVGCHNH-JTQLQIEISA-N 1 0 168.284 1.352 50 0 ADAARO CC1CC(CC[NH3+])C1 215799787 344392757 /nfs/dbraw/zinc/39/27/57/344392757.db2.gz AEVQSWWVDSNVSX-UHFFFAOYSA-N 1 0 113.204 1.381 50 0 ADAARO CN1C[C@H]([NH3+])[C@H](c2ccccc2)C1 216101597 344395109 /nfs/dbraw/zinc/39/51/09/344395109.db2.gz MDGLWUXAHGNWDO-QWRGUYRKSA-N 1 0 176.263 1.043 50 0 in-vitro ADAARO CC[C@@H]1[C@H](C)C[NH2+][C@H]1C 216228076 344395489 /nfs/dbraw/zinc/39/54/89/344395489.db2.gz GTDYINNWQOHUAH-GJMOJQLCSA-N 1 0 127.231 1.640 50 0 ADAARO CC1=C(Br)C[NH2+]CC1 216655345 344398473 /nfs/dbraw/zinc/39/84/73/344398473.db2.gz ADCYOPUJDWLWBI-UHFFFAOYSA-N 1 0 176.057 1.649 50 0 in-vitro ADAARO C[C@@H]([NH3+])C1CC(F)(F)C1 217505345 344402243 /nfs/dbraw/zinc/40/22/43/344402243.db2.gz MMMZCKISFQKEQO-SCSAIBSYSA-N 1 0 135.157 1.379 50 0 ADAARO [NH3+]C[C@H]1COCc2ccccc21 217539233 344402948 /nfs/dbraw/zinc/40/29/48/344402948.db2.gz AIIAQNXKUOPDIY-VIFPVBQESA-N 1 0 163.220 1.259 50 0 ADAARO [NH3+]C[C@@H]1COCc2ccccc21 217539319 344403131 /nfs/dbraw/zinc/40/31/31/344403131.db2.gz AIIAQNXKUOPDIY-SECBINFHSA-N 1 0 163.220 1.259 50 0 ADAARO CC(C)[C@H]1[NH2+]CC1(C)C 218536557 344413256 /nfs/dbraw/zinc/41/32/56/344413256.db2.gz NEIOTGPXCDUBAK-SSDOTTSWSA-N 1 0 127.231 1.640 50 0 in-vitro ADAARO CC(C)[C@@H]1[NH2+]CC1(C)C 218536644 344413339 /nfs/dbraw/zinc/41/33/39/344413339.db2.gz NEIOTGPXCDUBAK-ZETCQYMHSA-N 1 0 127.231 1.640 50 0 in-vitro ADAARO CC1(C)C[NH2+][C@@H]1c1ccncc1 218689753 344415137 /nfs/dbraw/zinc/41/51/37/344415137.db2.gz OVCUSDDNWFWDER-SECBINFHSA-N 1 0 162.236 1.752 50 0 in-vitro ADAARO CC1(C)C[NH2+][C@H]1c1ccncc1 218689811 344415380 /nfs/dbraw/zinc/41/53/80/344415380.db2.gz OVCUSDDNWFWDER-VIFPVBQESA-N 1 0 162.236 1.752 50 0 in-vitro ADAARO CC1(C)C[NH2+][C@@H](CO)c2ccccc21 218778080 344416194 /nfs/dbraw/zinc/41/61/94/344416194.db2.gz HXJBQIJQRPJSPA-NSHDSACASA-N 1 0 191.274 1.601 50 0 ADAARO CC1(C)C[NH2+][C@H](CO)c2ccccc21 218778149 344416243 /nfs/dbraw/zinc/41/62/43/344416243.db2.gz HXJBQIJQRPJSPA-LLVKDONJSA-N 1 0 191.274 1.601 50 0 ADAARO CC1([NH3+])CC=CC1 219133089 344419929 /nfs/dbraw/zinc/41/99/29/344419929.db2.gz ZPMRKSUZGGSTQZ-UHFFFAOYSA-N 1 0 97.161 1.054 50 0 ADAARO CC(C)[C@H]1C[NH2+][C@H]1C(C)C 219188597 344420766 /nfs/dbraw/zinc/42/07/66/344420766.db2.gz WWLNAMPNLITESQ-BDAKNGLRSA-N 1 0 141.258 1.886 50 0 ADAARO CC(C)[C@H]1C[NH2+][C@@H]1C(C)C 219188449 344420857 /nfs/dbraw/zinc/42/08/57/344420857.db2.gz WWLNAMPNLITESQ-RKDXNWHRSA-N 1 0 141.258 1.886 50 0 ADAARO CC(C)[C@@H]1C[NH2+][C@@H]1C(C)C 219188378 344421061 /nfs/dbraw/zinc/42/10/61/344421061.db2.gz WWLNAMPNLITESQ-DTWKUNHWSA-N 1 0 141.258 1.886 50 0 ADAARO COc1ccc(C[NH3+])nc1Cl 219441998 344424091 /nfs/dbraw/zinc/42/40/91/344424091.db2.gz DIOPFOIUBYFMFY-UHFFFAOYSA-N 1 0 172.615 1.202 50 0 ADAARO [NH3+][C@H](CO)C1CCC(F)(F)CC1 219721240 344427549 /nfs/dbraw/zinc/42/75/49/344427549.db2.gz MODLJRVNUWRXOJ-SSDOTTSWSA-N 1 0 179.210 1.132 50 0 ADAARO c1cc2c(cn1)COC21CC[NH2+]CC1 219887133 344428790 /nfs/dbraw/zinc/42/87/90/344428790.db2.gz PSPZNNARAQMDDW-UHFFFAOYSA-N 1 0 190.246 1.191 50 0 ADAARO C[NH2+]CC1(F)CCCC1 221135154 344438169 /nfs/dbraw/zinc/43/81/69/344438169.db2.gz QXFKFAPQTWGEAA-UHFFFAOYSA-N 1 0 131.194 1.488 50 0 ADAARO [NH3+]Cc1cccc(-c2cnco2)c1 221261943 344440562 /nfs/dbraw/zinc/44/05/62/344440562.db2.gz NQWHMXRUVVPQNM-UHFFFAOYSA-N 1 0 174.203 1.800 50 0 ADAARO ClC1=CCC[NH2+]C1 221316248 344441689 /nfs/dbraw/zinc/44/16/89/344441689.db2.gz GTNHQGFBXXRXPN-UHFFFAOYSA-N 1 0 117.579 1.102 50 0 ADAARO C[NH2+][C@H](C)CC(F)F 221338229 344442096 /nfs/dbraw/zinc/44/20/96/344442096.db2.gz IPTIEROLBCRMLJ-SCSAIBSYSA-N 1 0 123.146 1.250 50 0 ADAARO CC[C@H]([NH3+])[C@@H]1CC1(C)C 222569188 344453562 /nfs/dbraw/zinc/45/35/62/344453562.db2.gz VMNUGUKELCXBBY-BQBZGAKWSA-N 1 0 127.231 1.770 50 0 ADAARO CC[C@@H]([NH3+])[C@@H]1CC1(C)C 222569263 344453477 /nfs/dbraw/zinc/45/34/77/344453477.db2.gz VMNUGUKELCXBBY-NKWVEPMBSA-N 1 0 127.231 1.770 50 0 ADAARO C[C@H]1CCC[C@H](C(=O)OC(C)(C)C)N1 223031860 344455889 /nfs/dbraw/zinc/45/58/89/344455889.db2.gz QFMGSKFYXCMEEY-DTWKUNHWSA-N 1 0 199.294 1.859 50 0 ADAARO C[C@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C 223028987 344456070 /nfs/dbraw/zinc/45/60/70/344456070.db2.gz AABGLGIWVAZBPI-VIFPVBQESA-N 1 0 199.294 1.812 50 0 ADAARO C[C@@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C 223028934 344456196 /nfs/dbraw/zinc/45/61/96/344456196.db2.gz AABGLGIWVAZBPI-SECBINFHSA-N 1 0 199.294 1.812 50 0 ADAARO Nc1cc(OC2CC2)cc[nH+]1 223948847 344464789 /nfs/dbraw/zinc/46/47/89/344464789.db2.gz XQGWFDYAUYHZRP-UHFFFAOYSA-N 1 0 150.181 1.205 50 0 ADAARO CC(C)[NH2+][C@@H]1CCC=CCC[C@@H]1O 224491439 344469626 /nfs/dbraw/zinc/46/96/26/344469626.db2.gz PFOMPNVHPJKOCU-MNOVXSKESA-N 1 0 183.295 1.844 50 0 ADAARO CC[NH2+][C@@H]1CCC=CCC[C@@H]1O 224490641 344469740 /nfs/dbraw/zinc/46/97/40/344469740.db2.gz YFKFCUULKQRIKK-ZJUUUORDSA-N 1 0 169.268 1.456 50 0 ADAARO CC(C)[NH2+][C@H]1CCC=CCC[C@@H]1O 224491539 344469805 /nfs/dbraw/zinc/46/98/05/344469805.db2.gz PFOMPNVHPJKOCU-QWRGUYRKSA-N 1 0 183.295 1.844 50 0 ADAARO CC(C)(C)c1cncc(C[NH3+])c1 225302782 344479684 /nfs/dbraw/zinc/47/96/84/344479684.db2.gz SLQODYPLKQZZOP-UHFFFAOYSA-N 1 0 164.252 1.838 50 0 ADAARO Cc1cc2c(c(N(C)C)[nH+]1)NCCC2 225393585 344480309 /nfs/dbraw/zinc/48/03/09/344480309.db2.gz BLPVMHIDANEBGA-UHFFFAOYSA-N 1 0 191.278 1.814 50 0 ADAARO C[C@]12CC[NH2+]C[C@H]1C2(Cl)Cl 225392525 344480645 /nfs/dbraw/zinc/48/06/45/344480645.db2.gz YHVKEEDOKZTHIS-RITPCOANSA-N 1 0 180.078 1.790 50 0 in-vitro ADAARO Cc1cc(N(C)C)[nH+]c2c1NCCC2 225520616 344482166 /nfs/dbraw/zinc/48/21/66/344482166.db2.gz TUCJVSSPXFDHMC-UHFFFAOYSA-N 1 0 191.278 1.814 50 0 ADAARO CC1(C)C[NH2+][C@@H]1C1CC1 225513866 344482288 /nfs/dbraw/zinc/48/22/88/344482288.db2.gz MTIQDCJQUMGVQG-SSDOTTSWSA-N 1 0 125.215 1.394 50 0 in-vitro ADAARO CC1(C)C[NH2+][C@H]1C1CC1 225513897 344482640 /nfs/dbraw/zinc/48/26/40/344482640.db2.gz MTIQDCJQUMGVQG-ZETCQYMHSA-N 1 0 125.215 1.394 50 0 in-vitro ADAARO Cc1cncc(NC(=O)C(C)(C)[NH3+])c1 226400152 344501861 /nfs/dbraw/zinc/50/18/61/344501861.db2.gz GNAUBJXGYSKORB-UHFFFAOYSA-N 1 0 193.250 1.066 50 0 ADAARO [NH3+]CC[C@@H]1CC[C@@H]2C[C@H]12 227676314 344543563 /nfs/dbraw/zinc/54/35/63/344543563.db2.gz DFUCMSYKBGLDME-XLPZGREQSA-N 1 0 125.215 1.381 50 0 ADAARO Nc1cc(OCC(F)F)cc[nH+]1 227672563 344543808 /nfs/dbraw/zinc/54/38/08/344543808.db2.gz SBIPGWDNINFFNS-UHFFFAOYSA-N 1 0 174.150 1.308 50 0 ADAARO C[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 228785677 344568624 /nfs/dbraw/zinc/56/86/24/344568624.db2.gz COQYUGZWIWLLRG-WDEREUQCSA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O 229585729 344606372 /nfs/dbraw/zinc/60/63/72/344606372.db2.gz OXRXQNDJSYCGOY-IVZWLZJFSA-N 1 0 171.284 1.678 50 0 ADAARO C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](C)C2)C(=O)O1 229710806 344612529 /nfs/dbraw/zinc/61/25/29/344612529.db2.gz QJXFTROFYOAUJY-UTLUCORTSA-N 1 0 197.278 1.422 50 0 ADAARO C[C@@H]1C[C@H]1CCC[NH3+] 231215070 344650030 /nfs/dbraw/zinc/65/00/30/344650030.db2.gz GKLACXGCVNIJIX-RNFRBKRXSA-N 1 0 113.204 1.381 50 0 ADAARO c1c(C2CC2)nnn1C1CC[NH2+]CC1 231565377 344654564 /nfs/dbraw/zinc/65/45/64/344654564.db2.gz ZQNFIMPZNWUMRM-UHFFFAOYSA-N 1 0 192.266 1.080 50 0 ADAARO COC1CC2(CC[NH2+]CC2)C1 234814053 344728785 /nfs/dbraw/zinc/72/87/85/344728785.db2.gz YFHFIEDXFXLIDK-UHFFFAOYSA-N 1 0 155.241 1.165 50 0 ADAARO C[C@H]1C[NH2+]CC2(CC2)C1 238440523 344806784 /nfs/dbraw/zinc/80/67/84/344806784.db2.gz HGGDCCQEYFGCRN-SSDOTTSWSA-N 1 0 125.215 1.396 50 0 ADAARO c1cnc2nc([C@@H]3CC[NH2+]C3)ccc2c1 238032022 344791414 /nfs/dbraw/zinc/79/14/14/344791414.db2.gz RPRSTNQODVPNHB-SNVBAGLBSA-N 1 0 199.257 1.707 50 0 ADAARO c1cnc2nc([C@H]3CC[NH2+]C3)ccc2c1 238039344 344791957 /nfs/dbraw/zinc/79/19/57/344791957.db2.gz RPRSTNQODVPNHB-JTQLQIEISA-N 1 0 199.257 1.707 50 0 ADAARO CC(C)Oc1c[nH+]ccc1N 238163878 344794400 /nfs/dbraw/zinc/79/44/00/344794400.db2.gz BECODDZYPZZGTF-UHFFFAOYSA-N 1 0 152.197 1.451 50 0 ADAARO CC(C)=CC[C@]1(CO)CCC[NH2+]C1 238158380 344794511 /nfs/dbraw/zinc/79/45/11/344794511.db2.gz UQNAMCCVCXCRFQ-LLVKDONJSA-N 1 0 183.295 1.705 50 0 ADAARO CC(C)=CC[C@@]1(CO)CCC[NH2+]C1 238156393 344794646 /nfs/dbraw/zinc/79/46/46/344794646.db2.gz UQNAMCCVCXCRFQ-NSHDSACASA-N 1 0 183.295 1.705 50 0 ADAARO CCCO[C@H]1CC[C@@H]([NH3+])CC1 238252105 344797312 /nfs/dbraw/zinc/79/73/12/344797312.db2.gz MZUBANKASMUHHF-KYZUINATSA-N 1 0 157.257 1.683 50 0 ADAARO CN(C)[C@H]1CCCCC[NH2+]C1 238297896 344799396 /nfs/dbraw/zinc/79/93/96/344799396.db2.gz SZVWJRGQHJOCAY-VIFPVBQESA-N 1 0 156.273 1.080 50 0 ADAARO COC(=O)c1cc(C[NH3+])ccc1C 238356075 344802876 /nfs/dbraw/zinc/80/28/76/344802876.db2.gz FGRRSOSNUHLOLL-UHFFFAOYSA-N 1 0 179.219 1.240 50 0 ADAARO C[C@@H]1C[NH2+]CCN1c1ccncc1F 238399277 344805416 /nfs/dbraw/zinc/80/54/16/344805416.db2.gz JCAZIUYBQKNTQK-MRVPVSSYSA-N 1 0 195.241 1.019 50 0 ADAARO C[C@H]([C@H]1CC[NH2+]C1)[NH+]1CCCC1 238425793 344806074 /nfs/dbraw/zinc/80/60/74/344806074.db2.gz YJFKQBKLZOOPFI-ZJUUUORDSA-N 1 0 168.284 1.080 50 0 ADAARO C[C@H]([C@H]1CC[NH2+]C1)[NH+]1CCCCC1 238425816 344806184 /nfs/dbraw/zinc/80/61/84/344806184.db2.gz WFUPRVZMJKEGBE-MNOVXSKESA-N 1 0 182.311 1.470 50 0 ADAARO C[Si](C)(C)c1ccc(CC[NH3+])cc1 238453032 344807515 /nfs/dbraw/zinc/80/75/15/344807515.db2.gz ULHCYDOLGZSBPZ-UHFFFAOYSA-N 1 0 193.366 1.733 50 0 ADAARO C[C@@H]1C[NH2+]CC2(CC2)C1 238452638 344807560 /nfs/dbraw/zinc/80/75/60/344807560.db2.gz HGGDCCQEYFGCRN-ZETCQYMHSA-N 1 0 125.215 1.396 50 0 ADAARO Cn1cc(C2C[C@@H]3CC[C@H](C2)[NH2+]3)cn1 238537186 344811699 /nfs/dbraw/zinc/81/16/99/344811699.db2.gz GFMVBWAPBFJTLW-UQPYNNQESA-N 1 0 191.278 1.418 50 0 ADAARO [NH3+]CC[C@H]1CCCC2(C1)OCCO2 238559356 344812831 /nfs/dbraw/zinc/81/28/31/344812831.db2.gz DWFUCWUXHPSFGG-SECBINFHSA-N 1 0 185.267 1.269 50 0 ADAARO [NH3+]C[C@@H]1CCCC2(CC2)C1 238568841 344813394 /nfs/dbraw/zinc/81/33/94/344813394.db2.gz CHBCKTJIEQBTOW-MRVPVSSYSA-N 1 0 139.242 1.916 50 0 ADAARO [NH3+]C[C@H]1CCCC2(CC2)C1 238568067 344813443 /nfs/dbraw/zinc/81/34/43/344813443.db2.gz CHBCKTJIEQBTOW-QMMMGPOBSA-N 1 0 139.242 1.916 50 0 ADAARO [NH3+][C@H]1c2ccccc2CC[C@@H]1F 238667088 344817716 /nfs/dbraw/zinc/81/77/16/344817716.db2.gz BNAFJGMKSYBXFL-UWVGGRQHSA-N 1 0 165.211 1.971 50 0 ADAARO [NH3+][C@@H]1c2ccccc2CC[C@H]1F 238669449 344817844 /nfs/dbraw/zinc/81/78/44/344817844.db2.gz BNAFJGMKSYBXFL-NXEZZACHSA-N 1 0 165.211 1.971 50 0 ADAARO [NH3+][C@@H]1CCC2(CC2)C1 238678676 344818683 /nfs/dbraw/zinc/81/86/83/344818683.db2.gz QPWYPDAPDIKXFK-ZCFIWIBFSA-N 1 0 111.188 1.278 50 0 ADAARO CN1CC[C@@H]([NH3+])[C@H]1c1ccccc1 238850945 344823199 /nfs/dbraw/zinc/82/31/99/344823199.db2.gz DLENRPOBIBOYGR-GHMZBOCLSA-N 1 0 176.263 1.391 50 0 in-vitro ADAARO CN1CC[C@H]([NH3+])[C@H]1c1ccccc1 238850946 344823209 /nfs/dbraw/zinc/82/32/09/344823209.db2.gz DLENRPOBIBOYGR-WDEREUQCSA-N 1 0 176.263 1.391 50 0 in-vitro ADAARO CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH3+] 238853387 344823639 /nfs/dbraw/zinc/82/36/39/344823639.db2.gz JOFRKRVKFQLQIU-PSASIEDQSA-N 1 0 195.266 1.253 50 0 ADAARO C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[NH2+]1 238853349 344823679 /nfs/dbraw/zinc/82/36/79/344823679.db2.gz JFUPEGCVMBPGCT-DCAQKATOSA-N 1 0 183.295 1.680 50 0 in-vitro ADAARO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[NH2+]1 238853351 344823693 /nfs/dbraw/zinc/82/36/93/344823693.db2.gz JFUPEGCVMBPGCT-VWYCJHECSA-N 1 0 183.295 1.680 50 0 in-vitro ADAARO C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[NH2+]1 238853350 344823706 /nfs/dbraw/zinc/82/37/06/344823706.db2.gz JFUPEGCVMBPGCT-MXWKQRLJSA-N 1 0 183.295 1.680 50 0 in-vitro ADAARO C[C@]1(O)CCCC[C@H]1[C@H]1CCC[NH2+]1 238853348 344823711 /nfs/dbraw/zinc/82/37/11/344823711.db2.gz JFUPEGCVMBPGCT-AXFHLTTASA-N 1 0 183.295 1.680 50 0 in-vitro ADAARO C[C@]1(CC[NH3+])CC1(Cl)Cl 238855040 344823916 /nfs/dbraw/zinc/82/39/16/344823916.db2.gz QFULRTHOYNSXGO-YFKPBYRVSA-N 1 0 168.067 1.919 50 0 ADAARO CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C 238853886 344823954 /nfs/dbraw/zinc/82/39/54/344823954.db2.gz LNKAEQDCFIAODV-IVZWLZJFSA-N 1 0 183.295 1.800 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@H]1Oc2ccccc2[C@H]1C 238854776 344823971 /nfs/dbraw/zinc/82/39/71/344823971.db2.gz PIBPWCHMFHZHNL-FYBVGQRMSA-N 1 0 177.247 1.898 50 0 in-vitro ADAARO C[C@]12CC[NH2+]C[C@H]1C2(F)F 238854087 344824004 /nfs/dbraw/zinc/82/40/04/344824004.db2.gz MRRJNXMDOXBSNV-RITPCOANSA-N 1 0 147.168 1.251 50 0 in-vitro ADAARO C[C@H]([NH3+])[C@@H]1Oc2ccccc2[C@H]1C 238854777 344824031 /nfs/dbraw/zinc/82/40/31/344824031.db2.gz PIBPWCHMFHZHNL-VHSKPIJISA-N 1 0 177.247 1.898 50 0 in-vitro ADAARO CN1CC[C@H]([NH3+])[C@H]1c1ccc(F)cc1 238854768 344824043 /nfs/dbraw/zinc/82/40/43/344824043.db2.gz PGLORIOSCWIJBZ-WDEREUQCSA-N 1 0 194.253 1.530 50 0 in-vitro ADAARO C[C@H]1C[C@H](CC[NH3+])C[C@@H](C)O1 238854972 344824048 /nfs/dbraw/zinc/82/40/48/344824048.db2.gz PZKMLLCMEBJHKX-AYMMMOKOSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1O 238854728 344824054 /nfs/dbraw/zinc/82/40/54/344824054.db2.gz OXRXQNDJSYCGOY-LPEHRKFASA-N 1 0 171.284 1.678 50 0 ADAARO CCC1(CC)[C@H]([NH3+])[C@@H](C)[C@H]1OC 238854235 344824068 /nfs/dbraw/zinc/82/40/68/344824068.db2.gz MZIZHDQBQJLHFU-IWSPIJDZSA-N 1 0 171.284 1.785 50 0 in-vitro ADAARO C[C@H]1C[C@H](C[NH3+])C[C@@H](C)O1 238854964 344824093 /nfs/dbraw/zinc/82/40/93/344824093.db2.gz PXKYQRMDUIMEAZ-RNLVFQAGSA-N 1 0 143.230 1.149 50 0 in-vitro ADAARO C[C@@]12CC[NH2+]C[C@@H]1C2(F)F 238854085 344824095 /nfs/dbraw/zinc/82/40/95/344824095.db2.gz MRRJNXMDOXBSNV-NTSWFWBYSA-N 1 0 147.168 1.251 50 0 in-vitro ADAARO C[N@@H+]1CCC(=O)[C@@H]2CCC[C@H]21 238857177 344824397 /nfs/dbraw/zinc/82/43/97/344824397.db2.gz YGEYYJFGMWCUNV-HTQZYQBOSA-N 1 0 153.225 1.060 50 0 in-vitro ADAARO C[N@@H+]1CCC(=O)[C@H]2CCC[C@H]21 238857179 344824430 /nfs/dbraw/zinc/82/44/30/344824430.db2.gz YGEYYJFGMWCUNV-JGVFFNPUSA-N 1 0 153.225 1.060 50 0 in-vitro ADAARO C[N@@H+]1CC[C@](C)(O)[C@H]2CCCC[C@H]21 239377951 344824443 /nfs/dbraw/zinc/82/44/43/344824443.db2.gz OFUROGGOSSXCBF-AXFHLTTASA-N 1 0 183.295 1.632 50 0 ADAARO C[C@H]1[C@H](C)CCC[C@H]1NC(N)=[NH2+] 245285213 344826452 /nfs/dbraw/zinc/82/64/52/344826452.db2.gz WKZQSPQMDKGHLK-GJMOJQLCSA-N 1 0 169.272 1.294 50 0 ADAARO C[C@H]1CCCCN1[C@H]1CC[NH2+]C1 248094375 344827296 /nfs/dbraw/zinc/82/72/96/344827296.db2.gz XDYHGXBDWIRBKU-UWVGGRQHSA-N 1 0 168.284 1.223 50 0 ADAARO CC[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 248091310 344827390 /nfs/dbraw/zinc/82/73/90/344827390.db2.gz VNHIDBOBGHDNOW-MNOVXSKESA-N 1 0 182.311 1.613 50 0 ADAARO C[C@H]1CCCCN1[C@H]1CCC[NH2+]C1 248095326 344827398 /nfs/dbraw/zinc/82/73/98/344827398.db2.gz XLGDVRUTJTXZGE-QWRGUYRKSA-N 1 0 182.311 1.613 50 0 ADAARO C[C@H](CO)[N@@H+]1CCCC[C@H]1C 248118192 344827524 /nfs/dbraw/zinc/82/75/24/344827524.db2.gz UCTLHKSQISSPFT-RKDXNWHRSA-N 1 0 157.257 1.242 50 0 in-vitro ADAARO CCC(=O)O[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C 249690719 344827855 /nfs/dbraw/zinc/82/78/55/344827855.db2.gz KNMVFWWXROFBOR-OPRDCNLKSA-N 1 0 199.294 1.668 50 0 ADAARO CCC(=O)O[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C 249690718 344828163 /nfs/dbraw/zinc/82/81/63/344828163.db2.gz KNMVFWWXROFBOR-KXUCPTDWSA-N 1 0 199.294 1.668 50 0 ADAARO [NH3+]C[C@@]12C[C@H]3C[C@@H](C1)[C@@H](O)[C@H](C3)C2 250514398 344835179 /nfs/dbraw/zinc/83/51/79/344835179.db2.gz FQVWYKRNBLKXQJ-OYJPKYFCSA-N 1 0 181.279 1.132 50 0 ADAARO [NH3+]C[C@@]12C[C@H]3C[C@@H](C1)[C@H](O)[C@H](C3)C2 250514401 344835289 /nfs/dbraw/zinc/83/52/89/344835289.db2.gz FQVWYKRNBLKXQJ-XKMIEYFTSA-N 1 0 181.279 1.132 50 0 ADAARO [NH3+][C@@H]1C[C@@H]2CCCC[C@@H]21 250849073 344842503 /nfs/dbraw/zinc/84/25/03/344842503.db2.gz NTHUTVZYZXXSOR-BIIVOSGPSA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+][C@@H]1C[C@H]2CCC[C@H]12 250998452 344843967 /nfs/dbraw/zinc/84/39/67/344843967.db2.gz DFALMWNHZFXPSI-DSYKOEDSSA-N 1 0 111.188 1.134 50 0 ADAARO C[C@@]1(C[NH3+])C[C@@H]2C[C@@H]2C1 251114591 344847516 /nfs/dbraw/zinc/84/75/16/344847516.db2.gz CYDOZGYIBANZSN-JIGDXULJSA-N 1 0 125.215 1.381 50 0 ADAARO CCn1c[n+](Cc2ccccc2)cn1 252494104 344900302 /nfs/dbraw/zinc/90/03/02/344900302.db2.gz NKYLWVHXTPHSIK-UHFFFAOYSA-N 1 0 188.254 1.239 50 0 ADAARO CC1(c2ccno2)CC[NH2+]CC1 252509914 344900582 /nfs/dbraw/zinc/90/05/82/344900582.db2.gz YYNDUGDEPFOJNZ-UHFFFAOYSA-N 1 0 166.224 1.316 50 0 ADAARO CC(C)Cn1cc([C@@H]2C[C@H]2[NH3+])cn1 252536616 344900858 /nfs/dbraw/zinc/90/08/58/344900858.db2.gz IYWYMBNPJWWYPM-VHSXEESVSA-N 1 0 179.267 1.354 50 0 ADAARO [NH3+]C[C@H]1CC[C@H](C(=O)NC2CC2)CC1 253115650 344927124 /nfs/dbraw/zinc/92/71/24/344927124.db2.gz FRJOIHDAAQTXRK-KYZUINATSA-N 1 0 196.294 1.030 50 0 ADAARO CC(C)NC(=O)[C@H]1CC[C@H](C[NH3+])CC1 253126869 344927577 /nfs/dbraw/zinc/92/75/77/344927577.db2.gz MDBCHNJDGRACES-MGCOHNPYSA-N 1 0 198.310 1.276 50 0 ADAARO CC(C)(C)OC(=O)C12CC([NH3+])(C1)C2 253182583 344929906 /nfs/dbraw/zinc/92/99/06/344929906.db2.gz IYZGTBCLPDXZGM-UHFFFAOYSA-N 1 0 183.251 1.210 50 0 ADAARO Cn1ccc(C[N@H+](C)C2CCCC2)n1 253393466 344933864 /nfs/dbraw/zinc/93/38/64/344933864.db2.gz WCJVKDIBTLCCRF-UHFFFAOYSA-N 1 0 193.294 1.795 50 0 ADAARO c1nc(C2CCOCC2)c[nH]1 256052251 344938609 /nfs/dbraw/zinc/93/86/09/344938609.db2.gz MOCAEYNADNWZGS-UHFFFAOYSA-N 1 0 152.197 1.304 50 0 ADAARO C[N@@H+]1CC[C@@]2(O)CC=CC[C@H]2C1 257358822 344942097 /nfs/dbraw/zinc/94/20/97/344942097.db2.gz WQCBUTKYOJXQGG-UWVGGRQHSA-N 1 0 167.252 1.019 50 0 ADAARO C[N@@H+]1CC[C@]2(O)CC=CC[C@H]2C1 257358823 344942146 /nfs/dbraw/zinc/94/21/46/344942146.db2.gz WQCBUTKYOJXQGG-VHSXEESVSA-N 1 0 167.252 1.019 50 0 ADAARO C[C@]1([NH3+])CCCC1(F)F 257826747 344942611 /nfs/dbraw/zinc/94/26/11/344942611.db2.gz HKEHQKFSSKKGAX-YFKPBYRVSA-N 1 0 135.157 1.523 50 0 ADAARO C[C@@]1([NH3+])CCCC1(F)F 257826746 344942699 /nfs/dbraw/zinc/94/26/99/344942699.db2.gz HKEHQKFSSKKGAX-RXMQYKEDSA-N 1 0 135.157 1.523 50 0 ADAARO [NH3+]Cc1c(F)ccc2c1CCO2 257908615 344942939 /nfs/dbraw/zinc/94/29/39/344942939.db2.gz ALWPRZGDSFAJQS-UHFFFAOYSA-N 1 0 167.183 1.219 50 0 ADAARO C[C@@]1(C[NH3+])CCCC1(F)F 257925689 344942976 /nfs/dbraw/zinc/94/29/76/344942976.db2.gz SAWDMGJKSLYWCP-LURJTMIESA-N 1 0 149.184 1.771 50 0 ADAARO C[C@]1(C[NH3+])CCCC1(F)F 257925691 344943283 /nfs/dbraw/zinc/94/32/83/344943283.db2.gz SAWDMGJKSLYWCP-ZCFIWIBFSA-N 1 0 149.184 1.771 50 0 ADAARO C[C@@]1([NH3+])CCCCC1(F)F 258450209 344944231 /nfs/dbraw/zinc/94/42/31/344944231.db2.gz FTDBBNIOFQEVPI-ZCFIWIBFSA-N 1 0 149.184 1.913 50 0 ADAARO C[C@]1([NH3+])CCCCC1(F)F 258450208 344944412 /nfs/dbraw/zinc/94/44/12/344944412.db2.gz FTDBBNIOFQEVPI-LURJTMIESA-N 1 0 149.184 1.913 50 0 ADAARO [NH3+]C[C@H]1CCC12CCOCC2 258587170 344944736 /nfs/dbraw/zinc/94/47/36/344944736.db2.gz SWYOPHMRNVLUGC-MRVPVSSYSA-N 1 0 155.241 1.152 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CCC12CCOCC2 258587172 344944905 /nfs/dbraw/zinc/94/49/05/344944905.db2.gz SWYOPHMRNVLUGC-QMMMGPOBSA-N 1 0 155.241 1.152 50 0 in-vitro ADAARO CC(F)(F)C(C)(C)C[NH3+] 258939153 344946830 /nfs/dbraw/zinc/94/68/30/344946830.db2.gz CDYAGLOHXAWXOK-UHFFFAOYSA-N 1 0 137.173 1.627 50 0 in-vitro ADAARO [NH3+][C@H]1CC[C@H](Oc2cnccn2)CC1 299892284 344957457 /nfs/dbraw/zinc/95/74/57/344957457.db2.gz RMVXHXGOICIBCO-KYZUINATSA-N 1 0 193.250 1.125 50 0 ADAARO [NH3+][C@H]1CC[C@H](OC(F)F)CC1 300204312 344970671 /nfs/dbraw/zinc/97/06/71/344970671.db2.gz NRPDIKHIOPBBKH-IZLXSQMJSA-N 1 0 165.183 1.496 50 0 ADAARO NC(=[NH2+])[C@H]1CCC(F)(F)C1 300758711 344990632 /nfs/dbraw/zinc/99/06/32/344990632.db2.gz VPBQLIGLGAIEMB-BYPYZUCNSA-N 1 0 148.156 1.358 50 0 ADAARO NC(=[NH2+])[C@@H]1CCC(F)(F)C1 300758712 344990815 /nfs/dbraw/zinc/99/08/15/344990815.db2.gz VPBQLIGLGAIEMB-SCSAIBSYSA-N 1 0 148.156 1.358 50 0 ADAARO c1cc([C@H]2[NH2+]CC23CCC3)ccn1 306149875 345038986 /nfs/dbraw/zinc/03/89/86/345038986.db2.gz DNWMMAOYBPXTNT-SNVBAGLBSA-N 1 0 174.247 1.896 50 0 in-vitro ADAARO c1cc([C@@H]2[NH2+]CC23CCC3)ccn1 306149868 345039020 /nfs/dbraw/zinc/03/90/20/345039020.db2.gz DNWMMAOYBPXTNT-JTQLQIEISA-N 1 0 174.247 1.896 50 0 in-vitro ADAARO C[C@@H]1[NH2+]CC[C@@H]1N1CCCCC1 306159961 345050262 /nfs/dbraw/zinc/05/02/62/345050262.db2.gz DUBHFSUJTMTSKL-UWVGGRQHSA-N 1 0 168.284 1.223 50 0 ADAARO C[C@H]1[NH2+]CC[C@H]1N1CCCCC1 306159960 345050370 /nfs/dbraw/zinc/05/03/70/345050370.db2.gz DUBHFSUJTMTSKL-NXEZZACHSA-N 1 0 168.284 1.223 50 0 ADAARO C[C@H]1[NH2+]CC[C@@H]1N1CCCCC1 306159963 345050471 /nfs/dbraw/zinc/05/04/71/345050471.db2.gz DUBHFSUJTMTSKL-ZJUUUORDSA-N 1 0 168.284 1.223 50 0 ADAARO C[C@@H]1[NH2+]CC[C@H]1N1CCCCC1 306159962 345050602 /nfs/dbraw/zinc/05/06/02/345050602.db2.gz DUBHFSUJTMTSKL-VHSXEESVSA-N 1 0 168.284 1.223 50 0 ADAARO C1COC(C2CC2)(C2CC2)C[NH2+]1 306161373 345052692 /nfs/dbraw/zinc/05/26/92/345052692.db2.gz GUFUZBGFRJWLRP-UHFFFAOYSA-N 1 0 167.252 1.165 50 0 ADAARO [NH3+]CC[C@@H]1CC1(Cl)Cl 306249480 345141473 /nfs/dbraw/zinc/14/14/73/345141473.db2.gz DQYYLSNTRCSJPX-SCSAIBSYSA-N 1 0 154.040 1.529 50 0 ADAARO [NH3+]CC[C@H]1CC1(Cl)Cl 306249477 345141494 /nfs/dbraw/zinc/14/14/94/345141494.db2.gz DQYYLSNTRCSJPX-BYPYZUCNSA-N 1 0 154.040 1.529 50 0 ADAARO FC(F)(F)C1CC2(C[NH2+]C2)C1 306301201 345181426 /nfs/dbraw/zinc/18/14/26/345181426.db2.gz ICNKWUOOTHTJOO-UHFFFAOYSA-N 1 0 165.158 1.548 50 0 ADAARO COc1cc([C@H](C)[NH3+])sn1 306315355 345193376 /nfs/dbraw/zinc/19/33/76/345193376.db2.gz ASFGWZAQOIZAQV-BYPYZUCNSA-N 1 0 158.226 1.171 50 0 ADAARO COc1cc([C@@H](C)[NH3+])sn1 306315357 345193425 /nfs/dbraw/zinc/19/34/25/345193425.db2.gz ASFGWZAQOIZAQV-SCSAIBSYSA-N 1 0 158.226 1.171 50 0 ADAARO CCn1c(N)[nH+]c2c1CCCC2 306346282 345220081 /nfs/dbraw/zinc/22/00/81/345220081.db2.gz QYNHTEBACFFSLM-UHFFFAOYSA-N 1 0 165.240 1.364 50 0 ADAARO C[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 306361635 345231750 /nfs/dbraw/zinc/23/17/50/345231750.db2.gz PXASKIKYYGFDQU-YUMQZZPRSA-N 1 0 193.237 1.344 50 0 ADAARO C[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](C)C1 306361634 345232204 /nfs/dbraw/zinc/23/22/04/345232204.db2.gz PXASKIKYYGFDQU-SFYZADRCSA-N 1 0 193.237 1.344 50 0 ADAARO [NH3+]C1(c2ccc(F)cn2)CCC1 306401333 345262006 /nfs/dbraw/zinc/26/20/06/345262006.db2.gz OFIAVONDRUNMMG-UHFFFAOYSA-N 1 0 166.199 1.559 50 0 ADAARO FC(F)(F)CCC1C[NH2+]C1 306474587 345339348 /nfs/dbraw/zinc/33/93/48/345339348.db2.gz MWNQQVLOTBMZQP-UHFFFAOYSA-N 1 0 153.147 1.548 50 0 ADAARO [NH3+]C[C@H]1CCC2(CCC2)O1 306485207 345354540 /nfs/dbraw/zinc/35/45/40/345354540.db2.gz UEXFOKAUQHQTAU-SSDOTTSWSA-N 1 0 141.214 1.047 50 0 ADAARO [NH3+]C[C@@H]1CCC2(CCC2)O1 306485208 345354630 /nfs/dbraw/zinc/35/46/30/345354630.db2.gz UEXFOKAUQHQTAU-ZETCQYMHSA-N 1 0 141.214 1.047 50 0 ADAARO C[C@H]([NH3+])c1nccc(C(F)F)n1 306521259 345393029 /nfs/dbraw/zinc/39/30/29/345393029.db2.gz MPYIKCQSDUSUCM-BYPYZUCNSA-N 1 0 173.166 1.434 50 0 ADAARO C[C@@H]([NH3+])c1nccc(C(F)F)n1 306521260 345393113 /nfs/dbraw/zinc/39/31/13/345393113.db2.gz MPYIKCQSDUSUCM-SCSAIBSYSA-N 1 0 173.166 1.434 50 0 ADAARO C[C@H]1CC[C@@H](C)[C@@H]1[NH2+]Cc1cc[nH]n1 306570570 345447801 /nfs/dbraw/zinc/44/78/01/345447801.db2.gz ZALWBZDUUKEACB-JZYVYDRUSA-N 1 0 193.294 1.934 50 0 ADAARO C[C@H]1CC[C@H](C)C1[NH2+]Cc1cc[nH]n1 306570569 345447958 /nfs/dbraw/zinc/44/79/58/345447958.db2.gz ZALWBZDUUKEACB-IUCAKERBSA-N 1 0 193.294 1.934 50 0 ADAARO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1cc[nH]n1 306570571 345448061 /nfs/dbraw/zinc/44/80/61/345448061.db2.gz ZALWBZDUUKEACB-RKDXNWHRSA-N 1 0 193.294 1.934 50 0 ADAARO [NH3+]C[C@H]1CCC[C@H](C2CC2)O1 306609918 345483837 /nfs/dbraw/zinc/48/38/37/345483837.db2.gz ZIWMJPFSPHUNIK-RKDXNWHRSA-N 1 0 155.241 1.293 50 0 ADAARO [NH3+]C[C@@H]1CCC[C@H](C2CC2)O1 306609916 345483863 /nfs/dbraw/zinc/48/38/63/345483863.db2.gz ZIWMJPFSPHUNIK-DTWKUNHWSA-N 1 0 155.241 1.293 50 0 ADAARO [NH3+]C[C@H]1CCC[C@@H](C2CC2)O1 306609915 345484106 /nfs/dbraw/zinc/48/41/06/345484106.db2.gz ZIWMJPFSPHUNIK-BDAKNGLRSA-N 1 0 155.241 1.293 50 0 ADAARO [NH3+]C[C@@H]1CCC[C@@H](C2CC2)O1 306609917 345484221 /nfs/dbraw/zinc/48/42/21/345484221.db2.gz ZIWMJPFSPHUNIK-IUCAKERBSA-N 1 0 155.241 1.293 50 0 ADAARO CN1CC[NH+]=C1NCc1ccccc1 306623198 345495177 /nfs/dbraw/zinc/49/51/77/345495177.db2.gz WVDQKVWGISDVPY-UHFFFAOYSA-N 1 0 189.262 1.078 50 0 ADAARO CC1(CC(F)F)C[NH2+]C1 306644494 345513377 /nfs/dbraw/zinc/51/33/77/345513377.db2.gz ZTPRNIWKWQLXCL-UHFFFAOYSA-N 1 0 135.157 1.251 50 0 ADAARO F[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 306709494 345562998 /nfs/dbraw/zinc/56/29/98/345562998.db2.gz RGPBQGQCCHKURC-NXEZZACHSA-N 1 0 165.211 1.712 50 0 ADAARO C1CCC(C[C@@H]2CC[NH2+]2)C1 306752689 345591983 /nfs/dbraw/zinc/59/19/83/345591983.db2.gz OFEACPPHQZQGQI-VIFPVBQESA-N 1 0 139.242 1.929 50 0 ADAARO C1CCC(C[C@H]2CC[NH2+]2)C1 306752687 345592235 /nfs/dbraw/zinc/59/22/35/345592235.db2.gz OFEACPPHQZQGQI-SECBINFHSA-N 1 0 139.242 1.929 50 0 ADAARO CCN(CC)[C@@H]1CC[NH2+]C1(C)C 306761453 345597102 /nfs/dbraw/zinc/59/71/02/345597102.db2.gz ZOBXCVURYFDGCP-SECBINFHSA-N 1 0 170.300 1.469 50 0 ADAARO CCN(CC)[C@H]1CC[NH2+]C1(C)C 306761454 345597435 /nfs/dbraw/zinc/59/74/35/345597435.db2.gz ZOBXCVURYFDGCP-VIFPVBQESA-N 1 0 170.300 1.469 50 0 ADAARO COC1(C[NH3+])CC(C)(C)C1 306765177 345600687 /nfs/dbraw/zinc/60/06/87/345600687.db2.gz IAWOWKWVXQYWIK-UHFFFAOYSA-N 1 0 143.230 1.150 50 0 ADAARO CC1CCN([C@H]2CC[NH2+][C@@H]2C)CC1 306780190 345608729 /nfs/dbraw/zinc/60/87/29/345608729.db2.gz BEXNHPKYESUXKG-MNOVXSKESA-N 1 0 182.311 1.469 50 0 ADAARO CC1CCN([C@@H]2CC[NH2+][C@@H]2C)CC1 306780182 345608877 /nfs/dbraw/zinc/60/88/77/345608877.db2.gz BEXNHPKYESUXKG-GHMZBOCLSA-N 1 0 182.311 1.469 50 0 ADAARO CC1CCN([C@H]2CC[NH2+][C@H]2C)CC1 306780198 345609032 /nfs/dbraw/zinc/60/90/32/345609032.db2.gz BEXNHPKYESUXKG-QWRGUYRKSA-N 1 0 182.311 1.469 50 0 ADAARO CC1CCN([C@@H]2CC[NH2+][C@H]2C)CC1 306780205 345609728 /nfs/dbraw/zinc/60/97/28/345609728.db2.gz BEXNHPKYESUXKG-WDEREUQCSA-N 1 0 182.311 1.469 50 0 ADAARO CC1(C)CC2(C[C@H]2[NH3+])C1 306787158 345614035 /nfs/dbraw/zinc/61/40/35/345614035.db2.gz QBRPXOKKJSANTK-ZCFIWIBFSA-N 1 0 125.215 1.524 50 0 ADAARO CC1(C)CC2(C[C@@H]2[NH3+])C1 306787150 345614122 /nfs/dbraw/zinc/61/41/22/345614122.db2.gz QBRPXOKKJSANTK-LURJTMIESA-N 1 0 125.215 1.524 50 0 ADAARO C[C@H](O)C[NH+]1CCC(C(F)F)CC1 306899228 345690921 /nfs/dbraw/zinc/69/09/21/345690921.db2.gz ZSXHVKNEQBHVDG-ZETCQYMHSA-N 1 0 193.237 1.344 50 0 ADAARO [NH3+]C[C@H]1CCCC2(CCC2)O1 306950418 345715090 /nfs/dbraw/zinc/71/50/90/345715090.db2.gz YXMQKGPSAJWROV-MRVPVSSYSA-N 1 0 155.241 1.437 50 0 ADAARO CC1(C)CCC[C@@H](C[NH3+])O1 306979441 345731699 /nfs/dbraw/zinc/73/16/99/345731699.db2.gz OXZDBMPTWPRLSI-ZETCQYMHSA-N 1 0 143.230 1.293 50 0 ADAARO CC1(C)CCC[C@H](C[NH3+])O1 306979440 345731834 /nfs/dbraw/zinc/73/18/34/345731834.db2.gz OXZDBMPTWPRLSI-SSDOTTSWSA-N 1 0 143.230 1.293 50 0 ADAARO FC(F)(F)[C@]12CCC[C@H]1C[NH2+]C2 307044322 345774864 /nfs/dbraw/zinc/77/48/64/345774864.db2.gz UAEDCNSUHWNQRT-BQBZGAKWSA-N 1 0 179.185 1.938 50 0 ADAARO [NH3+]C[C@@H]1C[C@@H]2CCCC[C@H]2O1 307066116 345789486 /nfs/dbraw/zinc/78/94/86/345789486.db2.gz VFONSNQWJVXRFM-XHNCKOQMSA-N 1 0 155.241 1.293 50 0 ADAARO C[C@H]1OCC[C@@H]1[NH2+]C1CC(F)(F)C1 307103014 345811260 /nfs/dbraw/zinc/81/12/60/345811260.db2.gz ALCCKHPTRYQYOO-SVRRBLITSA-N 1 0 191.221 1.551 50 0 ADAARO C[C@H]1OCC[C@H]1[NH2+]C1CC(F)(F)C1 307103008 345811270 /nfs/dbraw/zinc/81/12/70/345811270.db2.gz ALCCKHPTRYQYOO-HTRCEHHLSA-N 1 0 191.221 1.551 50 0 ADAARO COC[C@@]1([NH3+])CC=CCC1 307104866 345812557 /nfs/dbraw/zinc/81/25/57/345812557.db2.gz BJRYPSJURUNWQK-MRVPVSSYSA-N 1 0 141.214 1.070 50 0 ADAARO CC1CCN([C@H]2CC[NH2+]C2(C)C)CC1 307151629 345844068 /nfs/dbraw/zinc/84/40/68/345844068.db2.gz FALLJYAKODCIIP-NSHDSACASA-N 1 0 196.338 1.859 50 0 ADAARO CC1CCN([C@@H]2CC[NH2+]C2(C)C)CC1 307151628 345844282 /nfs/dbraw/zinc/84/42/82/345844282.db2.gz FALLJYAKODCIIP-LLVKDONJSA-N 1 0 196.338 1.859 50 0 ADAARO [NH3+]CCn1cc(-c2ccoc2)cn1 307152459 345844995 /nfs/dbraw/zinc/84/49/95/345844995.db2.gz YGUBTCIYGDMDSC-UHFFFAOYSA-N 1 0 177.207 1.102 50 0 ADAARO CC1=C(c2ccncc2)C[NH2+]CC1 307161864 345854272 /nfs/dbraw/zinc/85/42/72/345854272.db2.gz KWSDUSCOEXCNDA-UHFFFAOYSA-N 1 0 174.247 1.848 50 0 ADAARO CC(C)[C@H]([NH3+])C1(CO)CC=CC1 307187551 345874995 /nfs/dbraw/zinc/87/49/95/345874995.db2.gz 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345911763 /nfs/dbraw/zinc/91/17/63/345911763.db2.gz DVUGBMIYXKFNQP-YUMQZZPRSA-N 1 0 143.230 1.293 50 0 ADAARO c1c[nH]c(C[NH2+][C@H]2CCC[C@@H]3C[C@H]23)n1 307305534 345959424 /nfs/dbraw/zinc/95/94/24/345959424.db2.gz CHDSPSVETYEATA-UTLUCORTSA-N 1 0 191.278 1.688 50 0 ADAARO c1c[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)n1 307305532 345959607 /nfs/dbraw/zinc/95/96/07/345959607.db2.gz CHDSPSVETYEATA-KXUCPTDWSA-N 1 0 191.278 1.688 50 0 ADAARO CCO[C@H]1C[C@H](C)[NH2+][C@H](C)C1 307327158 345973321 /nfs/dbraw/zinc/97/33/21/345973321.db2.gz IMTMUXALKHSDOW-AYMMMOKOSA-N 1 0 157.257 1.552 50 0 ADAARO CCOC1C[C@@H](C)[NH2+][C@H](C)C1 307327159 345973385 /nfs/dbraw/zinc/97/33/85/345973385.db2.gz IMTMUXALKHSDOW-HTQZYQBOSA-N 1 0 157.257 1.552 50 0 ADAARO CCOC1C[C@H](C)[NH2+][C@@H](C)C1 307327160 345973976 /nfs/dbraw/zinc/97/39/76/345973976.db2.gz IMTMUXALKHSDOW-YUMQZZPRSA-N 1 0 157.257 1.552 50 0 ADAARO NC(=[NH2+])CC1CC(F)(F)C1 307405131 346022340 /nfs/dbraw/zinc/02/23/40/346022340.db2.gz 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346235418 /nfs/dbraw/zinc/23/54/18/346235418.db2.gz YFKFCUULKQRIKK-VHSXEESVSA-N 1 0 169.268 1.456 50 0 ADAARO C[NH+](C)[C@H]1CCC=CCC[C@H]1O 307981777 346247098 /nfs/dbraw/zinc/24/70/98/346247098.db2.gz PCYULBQAZMOGHN-VHSXEESVSA-N 1 0 169.268 1.408 50 0 ADAARO [NH3+][C@@H](CC1CCCC1)C(=O)NC1CC1 308485009 346306496 /nfs/dbraw/zinc/30/64/96/346306496.db2.gz MZKFMPPZIIXGEN-JTQLQIEISA-N 1 0 196.294 1.173 50 0 in-vitro ADAARO CC(C)[C@@H]1[NH2+]CC12CC=CC2 328599949 346325160 /nfs/dbraw/zinc/32/51/60/346325160.db2.gz UVFKHAYIHHGRDG-VIFPVBQESA-N 1 0 151.253 1.951 50 0 ADAARO CC(C)[C@H]1[NH2+]CC12CC=CC2 328599948 346325734 /nfs/dbraw/zinc/32/57/34/346325734.db2.gz UVFKHAYIHHGRDG-SECBINFHSA-N 1 0 151.253 1.951 50 0 ADAARO CC[C@H](C[NH3+])CC(F)F 334163770 346328622 /nfs/dbraw/zinc/32/86/22/346328622.db2.gz DGTSKPORFCFIAJ-YFKPBYRVSA-N 1 0 137.173 1.627 50 0 ADAARO CC[C@@H](C[NH3+])CC(F)F 334163769 346328749 /nfs/dbraw/zinc/32/87/49/346328749.db2.gz DGTSKPORFCFIAJ-RXMQYKEDSA-N 1 0 137.173 1.627 50 0 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/nfs/dbraw/zinc/50/22/50/346502250.db2.gz XXFTWOLXDXMNKL-UHFFFAOYSA-N 1 0 178.235 1.604 50 0 ADAARO CC(C)(C)C[NH2+]Cc1ccc(=O)[nH]c1 392756397 346574166 /nfs/dbraw/zinc/57/41/66/346574166.db2.gz MUZSJBAYMMMPQI-UHFFFAOYSA-N 1 0 194.278 1.923 50 0 ADAARO [NH3+]CC1C[C@@H]2CC[C@H](C1)S2 403532799 346636740 /nfs/dbraw/zinc/63/67/40/346636740.db2.gz AXUQOBABVUVRTB-IEESLHIDSA-N 1 0 157.282 1.619 50 0 ADAARO [NH3+]C1C[C@@H]2CC[C@H](C1)S2 403577197 346637347 /nfs/dbraw/zinc/63/73/47/346637347.db2.gz TYNDQIKIKUTATC-DGUCWDHESA-N 1 0 143.255 1.372 50 0 ADAARO [NH3+]Cc1ccc(-c2cc[nH]n2)s1 404828367 346652524 /nfs/dbraw/zinc/65/25/24/346652524.db2.gz SETSCVHLBKARMA-UHFFFAOYSA-N 1 0 179.248 1.597 50 0 ADAARO [NH3+]CC1CC2(C1)CC2(F)F 409429682 346689532 /nfs/dbraw/zinc/68/95/32/346689532.db2.gz DAGVETNPHHNTKM-UHFFFAOYSA-N 1 0 147.168 1.381 50 0 ADAARO FC1(F)C[C@@H]1C1CC[NH2+]CC1 409431256 346691510 /nfs/dbraw/zinc/69/15/10/346691510.db2.gz IRVNQJLBRLCVKY-SSDOTTSWSA-N 1 0 161.195 1.641 50 0 ADAARO FC1(F)C[C@H]1C1CC[NH2+]CC1 409431257 346691905 /nfs/dbraw/zinc/69/19/05/346691905.db2.gz IRVNQJLBRLCVKY-ZETCQYMHSA-N 1 0 161.195 1.641 50 0 ADAARO FC1(F)C2(CC[NH2+]CC2)C12CC2 409436708 346700629 /nfs/dbraw/zinc/70/06/29/346700629.db2.gz WZXPHSZEBXXZQH-UHFFFAOYSA-N 1 0 173.206 1.785 50 0 ADAARO CCn1cc(C[NH3+])c(C(F)(F)F)n1 409439193 346703107 /nfs/dbraw/zinc/70/31/07/346703107.db2.gz OGMQVEAKKSGGTC-UHFFFAOYSA-N 1 0 193.172 1.381 50 0 ADAARO S=C1N=NC(=C2C=C[NH2+]C=C2)O1 521395906 346710032 /nfs/dbraw/zinc/71/00/32/346710032.db2.gz LHNRMHHIAIHUBF-UHFFFAOYSA-N 1 0 179.204 1.596 50 0 ADAARO Cn1cc[n+](C2CCCCC2)c1 526051553 346711467 /nfs/dbraw/zinc/71/14/67/346711467.db2.gz OMNWPEFAJWBKTQ-UHFFFAOYSA-N 1 0 165.260 1.818 50 0 ADAARO CCc1ccc(O[C@H]2CC[NH2+]C2)nc1 536952024 346712371 /nfs/dbraw/zinc/71/23/71/346712371.db2.gz BDMAMCNZOXAJEJ-JTQLQIEISA-N 1 0 192.262 1.385 50 0 in-vitro ADAARO c1cc([C@@H]2C[NH2+]CC23CCC3)n[nH]1 536951797 346712383 /nfs/dbraw/zinc/71/23/83/346712383.db2.gz 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CC1(C)Nc2ccccc2[C@H]1[NH3+] 584879949 346746635 /nfs/dbraw/zinc/74/66/35/346746635.db2.gz CMXNRAIUVUWZLZ-SECBINFHSA-N 1 0 162.236 1.891 50 0 ADAARO [NH3+]CC1([C@@H]2CCCCO2)CCC1 584880123 346747033 /nfs/dbraw/zinc/74/70/33/346747033.db2.gz GAXSFMDBJRHPRJ-VIFPVBQESA-N 1 0 169.268 1.685 50 0 ADAARO C[C@]1(C[NH3+])OCCc2ccccc21 584880196 346747050 /nfs/dbraw/zinc/74/70/50/346747050.db2.gz IRCNHRUFYOZNBH-LLVKDONJSA-N 1 0 177.247 1.433 50 0 ADAARO C[C@H]([NH3+])CCC(F)F 584880114 346747059 /nfs/dbraw/zinc/74/70/59/346747059.db2.gz YVNHIYAIJLYZRJ-BYPYZUCNSA-N 1 0 123.146 1.379 50 0 ADAARO [NH3+]CC1([C@H]2CCCCO2)CCC1 584880122 346747086 /nfs/dbraw/zinc/74/70/86/346747086.db2.gz GAXSFMDBJRHPRJ-SECBINFHSA-N 1 0 169.268 1.685 50 0 ADAARO c1cnc2c(c1)C[NH2+]C[C@@H]1CCCN21 584880284 346747140 /nfs/dbraw/zinc/74/71/40/346747140.db2.gz XHLZWHZPUMPINL-JTQLQIEISA-N 1 0 189.262 1.154 50 0 in-vitro ADAARO c1cnc2c(c1)C[NH2+]C[C@H]1CCCN21 584880290 346747153 /nfs/dbraw/zinc/74/71/53/346747153.db2.gz XHLZWHZPUMPINL-SNVBAGLBSA-N 1 0 189.262 1.154 50 0 in-vitro ADAARO C[C@@H]([NH3+])CCC(F)F 584880115 346747213 /nfs/dbraw/zinc/74/72/13/346747213.db2.gz YVNHIYAIJLYZRJ-SCSAIBSYSA-N 1 0 123.146 1.379 50 0 ADAARO CC1(C)CC[C@H](C[NH3+])OC1 584883944 346752255 /nfs/dbraw/zinc/75/22/55/346752255.db2.gz PQYHDFSCTLZKIO-SSDOTTSWSA-N 1 0 143.230 1.150 50 0 ADAARO CC1(C)CC[C@@H](C[NH3+])OC1 584883945 346752279 /nfs/dbraw/zinc/75/22/79/346752279.db2.gz PQYHDFSCTLZKIO-ZETCQYMHSA-N 1 0 143.230 1.150 50 0 ADAARO CC(=O)O[C@@H]1CCC[C@@H]2[NH2+]CCC[C@H]21 584904282 346752377 /nfs/dbraw/zinc/75/23/77/346752377.db2.gz ZBZWFZQSKTXWNB-OUAUKWLOSA-N 1 0 197.278 1.470 50 0 ADAARO CC(=O)O[C@@H]1CCC[C@H]2[NH2+]CCC[C@H]21 584904281 346752418 /nfs/dbraw/zinc/75/24/18/346752418.db2.gz ZBZWFZQSKTXWNB-GMTAPVOTSA-N 1 0 197.278 1.470 50 0 ADAARO [NH3+]C[C@H]1CCC2(CCC2)CO1 585139464 346752789 /nfs/dbraw/zinc/75/27/89/346752789.db2.gz JVIMPJKUXHPSSW-MRVPVSSYSA-N 1 0 155.241 1.294 50 0 ADAARO C=C=CCNC1CC[NH+](C(C)C)CC1 585136142 346752872 /nfs/dbraw/zinc/75/28/72/346752872.db2.gz SLMUIYCVCDGVJH-UHFFFAOYSA-N 1 0 194.322 1.790 50 0 ADAARO [NH3+]C[C@@H]1CCC2(CCC2)CO1 585139465 346753023 /nfs/dbraw/zinc/75/30/23/346753023.db2.gz JVIMPJKUXHPSSW-QMMMGPOBSA-N 1 0 155.241 1.294 50 0 ADAARO CN(C)[C@H]1CC[NH2+][C@H]1c1ccccc1 601012402 346918600 /nfs/dbraw/zinc/91/86/00/346918600.db2.gz FRGHMRZOBIRFHU-RYUDHWBXSA-N 1 0 190.290 1.651 50 0 ADAARO C[C@@H]1[NH2+]CC[C@H]1OCC1CC1 601012358 346918609 /nfs/dbraw/zinc/91/86/09/346918609.db2.gz BHTXLMFWGYLXEZ-IONNQARKSA-N 1 0 155.241 1.163 50 0 ADAARO CC1(C)[NH2+]CC[C@H]1OCC1CC1 601012423 346918615 /nfs/dbraw/zinc/91/86/15/346918615.db2.gz GXUGNKFJFHOJBK-SECBINFHSA-N 1 0 169.268 1.554 50 0 ADAARO CN(C)[C@H]1CC[NH2+][C@@H]1c1ccccc1 601012401 346918625 /nfs/dbraw/zinc/91/86/25/346918625.db2.gz FRGHMRZOBIRFHU-NWDGAFQWSA-N 1 0 190.290 1.651 50 0 ADAARO C[C@@H]1[NH2+]CC[C@@H]1OCC1CC1 601012357 346918630 /nfs/dbraw/zinc/91/86/30/346918630.db2.gz BHTXLMFWGYLXEZ-CBAPKCEASA-N 1 0 155.241 1.163 50 0 ADAARO CCO[C@H]1CC[NH2+]C1(C)C 601012431 346918659 /nfs/dbraw/zinc/91/86/59/346918659.db2.gz HRLZXIVWECAUEW-ZETCQYMHSA-N 1 0 143.230 1.163 50 0 ADAARO C1=CC[C@H]2CCC[C@@H](C1)[NH2+]2 601012594 346918681 /nfs/dbraw/zinc/91/86/81/346918681.db2.gz QULSQILRDJDPOI-DTORHVGOSA-N 1 0 137.226 1.847 50 0 ADAARO C[C@H]1[NH2+]CC[C@@H]1OCC1CC1 601012356 346918696 /nfs/dbraw/zinc/91/86/96/346918696.db2.gz BHTXLMFWGYLXEZ-APPZFPTMSA-N 1 0 155.241 1.163 50 0 ADAARO CCO[C@@H]1CC[NH2+]C1(C)C 601012430 346918717 /nfs/dbraw/zinc/91/87/17/346918717.db2.gz HRLZXIVWECAUEW-SSDOTTSWSA-N 1 0 143.230 1.163 50 0 ADAARO CC1(C)[NH2+]CC[C@@H]1OCC1CC1 601012424 346918732 /nfs/dbraw/zinc/91/87/32/346918732.db2.gz GXUGNKFJFHOJBK-VIFPVBQESA-N 1 0 169.268 1.554 50 0 ADAARO CN(C)[C@@H]1CC[NH2+][C@@H]1c1ccccc1 601012403 346918801 /nfs/dbraw/zinc/91/88/01/346918801.db2.gz FRGHMRZOBIRFHU-VXGBXAGGSA-N 1 0 190.290 1.651 50 0 ADAARO CN(C)[C@@H]1CC[NH2+][C@H]1c1ccccc1 601012400 346918817 /nfs/dbraw/zinc/91/88/17/346918817.db2.gz FRGHMRZOBIRFHU-NEPJUHHUSA-N 1 0 190.290 1.651 50 0 ADAARO C[C@H]1[NH2+]CC[C@H]1OCC1CC1 601012359 346918838 /nfs/dbraw/zinc/91/88/38/346918838.db2.gz BHTXLMFWGYLXEZ-VXNVDRBHSA-N 1 0 155.241 1.163 50 0 ADAARO COC(=O)[C@@]1(C[NH3+])C[C@H]1C(C)(C)C 601014810 346919238 /nfs/dbraw/zinc/91/92/38/346919238.db2.gz QNWNDJOXPMDCNK-OIBJUYFYSA-N 1 0 185.267 1.171 50 0 ADAARO COC(=O)[C@@]1(C[NH3+])C[C@@H]1C(C)(C)C 601014809 346919226 /nfs/dbraw/zinc/91/92/26/346919226.db2.gz QNWNDJOXPMDCNK-GMSGAONNSA-N 1 0 185.267 1.171 50 0 ADAARO CC[N@H+](CC1CC1)C1CC(O)C1 601014783 346919325 /nfs/dbraw/zinc/91/93/25/346919325.db2.gz ICJNLOIHPPFRLW-UHFFFAOYSA-N 1 0 169.268 1.242 50 0 ADAARO COC(=O)[C@]1(C[NH3+])C[C@H]1C(C)(C)C 601014812 346919393 /nfs/dbraw/zinc/91/93/93/346919393.db2.gz QNWNDJOXPMDCNK-XVKPBYJWSA-N 1 0 185.267 1.171 50 0 ADAARO COC(=O)[C@]1(C[NH3+])C[C@@H]1C(C)(C)C 601014811 346919496 /nfs/dbraw/zinc/91/94/96/346919496.db2.gz QNWNDJOXPMDCNK-XCBNKYQSSA-N 1 0 185.267 1.171 50 0 ADAARO [NH3+]C1CC[C@H]2C[C@@H]2CC1 616568790 347096167 /nfs/dbraw/zinc/09/61/67/347096167.db2.gz MSEYJZSHQKZRCS-BQBZGAKWSA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+]C1CC[C@@H]2C[C@H]2CC1 616568792 347096193 /nfs/dbraw/zinc/09/61/93/347096193.db2.gz MSEYJZSHQKZRCS-RNFRBKRXSA-N 1 0 125.215 1.524 50 0 ADAARO [NH3+][C@@H]1CC[C@H]2C[C@H]2CC1 616568791 347096629 /nfs/dbraw/zinc/09/66/29/347096629.db2.gz MSEYJZSHQKZRCS-JIGDXULJSA-N 1 0 125.215 1.524 50 0 ADAARO C[C@@]1(c2cc[nH]n2)CCC[NH2+]C1 616575784 347103251 /nfs/dbraw/zinc/10/32/51/347103251.db2.gz MJSHMCHYLYGRQS-SECBINFHSA-N 1 0 165.240 1.051 50 0 ADAARO C[C@]1(c2cc[nH]n2)CCC[NH2+]C1 616575789 347103385 /nfs/dbraw/zinc/10/33/85/347103385.db2.gz MJSHMCHYLYGRQS-VIFPVBQESA-N 1 0 165.240 1.051 50 0 ADAARO [NH3+]CCc1c[nH]c2ncc(F)cc12 616579519 347104205 /nfs/dbraw/zinc/10/42/05/347104205.db2.gz UNDPCLJLAAZLGO-UHFFFAOYSA-N 1 0 179.198 1.203 50 0 ADAARO [NH3+]CC[C@H]1CCC2(CCOCC2)CO1 616582952 347105773 /nfs/dbraw/zinc/10/57/73/347105773.db2.gz QVIVNNRZMJCLSD-SNVBAGLBSA-N 1 0 199.294 1.311 50 0 ADAARO [NH3+]CC[C@@H]1CCC2(CCOCC2)CO1 616582946 347105897 /nfs/dbraw/zinc/10/58/97/347105897.db2.gz QVIVNNRZMJCLSD-JTQLQIEISA-N 1 0 199.294 1.311 50 0 ADAARO C/C=C/C[NH2+]Cc1cn[nH]c1 623738873 347261829 /nfs/dbraw/zinc/26/18/29/347261829.db2.gz ACZYFIMTLUIDFG-NSCUHMNNSA-N 1 0 151.213 1.075 50 0 ADAARO CC[N@@H+]1CCn2c(nc(C)c2C)C1 624508784 347279224 /nfs/dbraw/zinc/27/92/24/347279224.db2.gz LHSNIDOWRZPLFF-UHFFFAOYSA-N 1 0 179.267 1.335 50 0 ADAARO CCN(CC[NH3+])Cc1cccc(N)c1 629558405 347350995 /nfs/dbraw/zinc/35/09/95/347350995.db2.gz ZGBPTDOMSOYKML-UHFFFAOYSA-N 1 0 193.294 1.049 50 0 ADAARO CC[C@H]([NH2+]C1(C(N)=O)CC1)[C@H]1C[C@@H]1C 635527916 347443332 /nfs/dbraw/zinc/44/33/32/347443332.db2.gz NBRDDWYFZXRLDJ-CIUDSAMLSA-N 1 0 196.294 1.029 50 0 ADAARO CC[C@H]([NH2+]C1(C(N)=O)CC1)[C@@H]1C[C@@H]1C 635527919 347443343 /nfs/dbraw/zinc/44/33/43/347443343.db2.gz NBRDDWYFZXRLDJ-YIZRAAEISA-N 1 0 196.294 1.029 50 0 ADAARO CC[C@H]([NH2+]C1(C(N)=O)CC1)[C@H]1C[C@H]1C 635527918 347443402 /nfs/dbraw/zinc/44/34/02/347443402.db2.gz NBRDDWYFZXRLDJ-VGMNWLOBSA-N 1 0 196.294 1.029 50 0 ADAARO CC[C@H]([NH2+]C1(C(N)=O)CC1)[C@@H]1C[C@H]1C 635527917 347443439 /nfs/dbraw/zinc/44/34/39/347443439.db2.gz NBRDDWYFZXRLDJ-HLTSFMKQSA-N 1 0 196.294 1.029 50 0 ADAARO CC(C)CN(C)C(=O)CCC1C[NH2+]C1 636440458 347456787 /nfs/dbraw/zinc/45/67/87/347456787.db2.gz FKOFVWIJYMBCRW-UHFFFAOYSA-N 1 0 198.310 1.100 50 0 ADAARO C[C@@H]([C@H](O)c1ccccc1)[NH+](C)C 491 351267912 /nfs/dbraw/zinc/26/79/12/351267912.db2.gz FMCGSUUBYTWNDP-ONGXEEELSA-N 1 0 179.263 1.670 50 0 biogenic,world ADAARO C[C@@H]1O[C@@]2(CS1)C[NH+]1CCC2CC1 10163 351267980 /nfs/dbraw/zinc/26/79/80/351267980.db2.gz WUTYZMFRCNBCHQ-PSASIEDQSA-N 1 0 199.319 1.560 50 0 fda ADAARO c1cncc([C@H]2CCC[NH2+]2)c1 5898 351268305 /nfs/dbraw/zinc/26/83/05/351268305.db2.gz MYKUKUCHPMASKF-SECBINFHSA-N 1 0 148.209 1.506 50 0 biogenic,world ADAARO c1cc(C[NH2+]Cc2ccncc2)ccn1 1506 351268313 /nfs/dbraw/zinc/26/83/13/351268313.db2.gz AUQQZPGNRKTPSQ-UHFFFAOYSA-N 1 0 199.257 1.766 50 0 in-man ADAARO OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 31166 351268379 /nfs/dbraw/zinc/26/83/79/351268379.db2.gz HDVAWXXJVMJBAR-NXEZZACHSA-N 1 0 169.268 1.243 50 0 biogenic,in-vitro ADAARO c1cncc([C@H]2CCCC[NH2+]2)c1 31164 351268533 /nfs/dbraw/zinc/26/85/33/351268533.db2.gz MTXSIJUGVMTTMU-SNVBAGLBSA-N 1 0 162.236 1.896 50 0 metabolite,world ADAARO c1cncc([C@@H]2CCCC[NH2+]2)c1 31165 351268551 /nfs/dbraw/zinc/26/85/51/351268551.db2.gz MTXSIJUGVMTTMU-JTQLQIEISA-N 1 0 162.236 1.896 50 0 metabolite,world ADAARO O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 66050 351269195 /nfs/dbraw/zinc/26/91/95/351269195.db2.gz UTTCOAGPVHRUFO-GFCCVEGCSA-N 1 0 191.274 1.643 50 0 in-vitro ADAARO O[C@H]1CCC[N@H+](Cc2ccccc2)C1 66057 351269364 /nfs/dbraw/zinc/26/93/64/351269364.db2.gz UTTCOAGPVHRUFO-LBPRGKRZSA-N 1 0 191.274 1.643 50 0 in-vitro ADAARO OCc1ccccc1C[NH+]1CCCC1 54753 351269506 /nfs/dbraw/zinc/26/95/06/351269506.db2.gz PFXHKECPFIBDRU-UHFFFAOYSA-N 1 0 191.274 1.775 50 0 in-vitro ADAARO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1 120477 351270589 /nfs/dbraw/zinc/27/05/89/351270589.db2.gz ZAIQBJPTOXDDKA-LBPRGKRZSA-N 1 0 191.274 1.643 50 0 in-vitro ADAARO OC1CC[NH+](Cc2ccccc2)CC1 119568 351270762 /nfs/dbraw/zinc/27/07/62/351270762.db2.gz BPPZXJZYCOETDA-UHFFFAOYSA-N 1 0 191.274 1.643 50 0 in-vitro ADAARO O[C@@]1(c2ccc(F)cc2)CC[NH2+]C1 110767 351270779 /nfs/dbraw/zinc/27/07/79/351270779.db2.gz SRXUUXXOHYMXMQ-JTQLQIEISA-N 1 0 181.210 1.007 50 0 in-vitro ADAARO OC[C@H]1CCC[N@@H+]1Cc1ccccc1 120486 351270830 /nfs/dbraw/zinc/27/08/30/351270830.db2.gz ZAIQBJPTOXDDKA-GFCCVEGCSA-N 1 0 191.274 1.643 50 0 in-vitro ADAARO c1cc[n+](-c2ccncc2)cc1 155884 351271551 /nfs/dbraw/zinc/27/15/51/351271551.db2.gz IYYUWAULZBEIST-UHFFFAOYSA-N 1 0 157.196 1.358 50 0 in-vitro ADAARO c1ccc(-n2ccnc2)cc1 160340 351272644 /nfs/dbraw/zinc/27/26/44/351272644.db2.gz SEULWJSKCVACTH-UHFFFAOYSA-N 1 0 144.177 1.872 50 0 in-vitro ADAARO OC1CC[NH+](C[C@@H]2CC=CCC2)CC1 183295 351273149 /nfs/dbraw/zinc/27/31/49/351273149.db2.gz FCATXVVVXBWKJF-LLVKDONJSA-N 1 0 195.306 1.799 50 0 ADAARO O[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 213015 351273223 /nfs/dbraw/zinc/27/32/23/351273223.db2.gz JLCQPMJBQFEEMH-LLVKDONJSA-N 1 0 195.237 1.392 50 0 ADAARO O[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 213024 351273234 /nfs/dbraw/zinc/27/32/34/351273234.db2.gz JLCQPMJBQFEEMH-NSHDSACASA-N 1 0 195.237 1.392 50 0 in-vitro ADAARO OC1CC[NH+](Cc2ccsc2)CC1 200753 351273334 /nfs/dbraw/zinc/27/33/34/351273334.db2.gz JQJVNJKLFUBEBG-UHFFFAOYSA-N 1 0 197.303 1.705 50 0 in-vitro ADAARO OC1CC[NH+](C[C@H]2CC=CCC2)CC1 183293 351273750 /nfs/dbraw/zinc/27/37/50/351273750.db2.gz FCATXVVVXBWKJF-NSHDSACASA-N 1 0 195.306 1.799 50 0 ADAARO O[C@H]1CCC[N@H+](Cc2cccnc2)C1 199810 351273767 /nfs/dbraw/zinc/27/37/67/351273767.db2.gz OXMGNUKXSWZDCD-NSHDSACASA-N 1 0 192.262 1.038 50 0 ADAARO O[C@@H]1CCC[N@H+](Cc2cccnc2)C1 199796 351273801 /nfs/dbraw/zinc/27/38/01/351273801.db2.gz OXMGNUKXSWZDCD-LLVKDONJSA-N 1 0 192.262 1.038 50 0 ADAARO C[C@@H]1C(=O)CC[NH2+][C@@H]1c1ccccc1 270720 351274019 /nfs/dbraw/zinc/27/40/19/351274019.db2.gz WXIFLNDOTSRSQF-SKDRFNHKSA-N 1 0 189.258 1.926 50 0 ADAARO C[C@@H]1C(=O)CC[NH2+][C@H]1c1ccccc1 270723 351274101 /nfs/dbraw/zinc/27/41/01/351274101.db2.gz WXIFLNDOTSRSQF-BXKDBHETSA-N 1 0 189.258 1.926 50 0 ADAARO c1coc(C[NH2+]C[C@H]2CCCO2)c1 265969 351274247 /nfs/dbraw/zinc/27/42/47/351274247.db2.gz KWUIUZNTUGNFOF-SNVBAGLBSA-N 1 0 181.235 1.548 50 0 in-vitro ADAARO CCOc1cccc([C@H](O)C[NH2+]C)c1 226411 351274498 /nfs/dbraw/zinc/27/44/98/351274498.db2.gz PVXJPHPKSYDZSV-LLVKDONJSA-N 1 0 195.262 1.338 50 0 ADAARO c1coc(C[NH2+]C[C@@H]2CCCO2)c1 265972 351274593 /nfs/dbraw/zinc/27/45/93/351274593.db2.gz KWUIUZNTUGNFOF-JTQLQIEISA-N 1 0 181.235 1.548 50 0 in-vitro ADAARO OC1CC[NH+](Cc2cccs2)CC1 239359 351274636 /nfs/dbraw/zinc/27/46/36/351274636.db2.gz LSVBFIXCJWDYNH-UHFFFAOYSA-N 1 0 197.303 1.705 50 0 ADAARO c1cc(C[NH2+]C[C@H]2CCCO2)ccn1 266009 351274648 /nfs/dbraw/zinc/27/46/48/351274648.db2.gz PPTBAWQVKOPXIY-LLVKDONJSA-N 1 0 192.262 1.350 50 0 in-vitro ADAARO c1cc(C[NH2+]C[C@@H]2CCCO2)ccn1 266017 351274676 /nfs/dbraw/zinc/27/46/76/351274676.db2.gz PPTBAWQVKOPXIY-NSHDSACASA-N 1 0 192.262 1.350 50 0 in-vitro ADAARO c1ccc2c(c1)nc1n2CC[NH2+]C1 236623 351274693 /nfs/dbraw/zinc/27/46/93/351274693.db2.gz CVGPZQMGLKRVJV-UHFFFAOYSA-N 1 0 173.219 1.140 50 0 ADAARO CCOc1ccc(C[NH3+])cc1 319246 351275200 /nfs/dbraw/zinc/27/52/00/351275200.db2.gz USTCFIRCUNVNNM-UHFFFAOYSA-N 1 0 151.209 1.544 50 0 in-vitro ADAARO c1ccc(C[NH2+]C[C@@H]2CCCO2)nc1 299729 351275254 /nfs/dbraw/zinc/27/52/54/351275254.db2.gz LZSTUWDAHPXEHR-NSHDSACASA-N 1 0 192.262 1.350 50 0 in-vitro ADAARO CCOc1cc[nH+]c(N)c1 332011 351275409 /nfs/dbraw/zinc/27/54/09/351275409.db2.gz SCZJIUALOQFDEW-UHFFFAOYSA-N 1 0 138.170 1.063 50 0 in-vitro ADAARO c1ccc(C[NH2+]C[C@H]2CCCO2)nc1 299727 351275593 /nfs/dbraw/zinc/27/55/93/351275593.db2.gz LZSTUWDAHPXEHR-LLVKDONJSA-N 1 0 192.262 1.350 50 0 in-vitro ADAARO c1cc[n+](Cc2ccccn2)cc1 337464 351276213 /nfs/dbraw/zinc/27/62/13/351276213.db2.gz OJHJBRWICHKYOL-UHFFFAOYSA-N 1 0 171.223 1.417 50 0 ADAARO O[C@@H]1CC[N@H+](Cc2ccccc2)C1 389765 351277540 /nfs/dbraw/zinc/27/75/40/351277540.db2.gz YQMXOIAIYXXXEE-LLVKDONJSA-N 1 0 177.247 1.253 50 0 in-vitro ADAARO c1cc[n+]2c3c(cnc2c1)CCCC3 390801 351277678 /nfs/dbraw/zinc/27/76/78/351277678.db2.gz VPJNTOAPOSETLK-UHFFFAOYSA-N 1 0 185.250 1.699 50 0 ADAARO O[C@H]1CC[N@H+](Cc2ccccc2)C1 389767 351277811 /nfs/dbraw/zinc/27/78/11/351277811.db2.gz YQMXOIAIYXXXEE-NSHDSACASA-N 1 0 177.247 1.253 50 0 in-vitro ADAARO c1cncc([C@@H]2CCC[NH2+]2)c1 391820 351277860 /nfs/dbraw/zinc/27/78/60/351277860.db2.gz MYKUKUCHPMASKF-VIFPVBQESA-N 1 0 148.209 1.506 50 0 biogenic,world ADAARO c1ccc(NC[C@H]2CCC[NH2+]2)cc1 389826 351277928 /nfs/dbraw/zinc/27/79/28/351277928.db2.gz MCHWKJRTMPIHRA-LLVKDONJSA-N 1 0 176.263 1.851 50 0 in-vitro ADAARO Cc1cccc(Cl)c1NC(=O)C[NH3+] 394100 351278405 /nfs/dbraw/zinc/27/84/05/351278405.db2.gz NZNRSFWHRMBUHU-UHFFFAOYSA-N 1 0 198.653 1.546 50 0 ADAARO CCOc1ccccc1C[NH3+] 406947 351280038 /nfs/dbraw/zinc/28/00/38/351280038.db2.gz LAUPTNYHVCVPFH-UHFFFAOYSA-N 1 0 151.209 1.544 50 0 in-vitro ADAARO CC(C)(O)[C@@](C)([NH3+])c1ccccc1 409670 351280171 /nfs/dbraw/zinc/28/01/71/351280171.db2.gz UAFRZHPCPUUEGX-NSHDSACASA-N 1 0 179.263 1.631 50 0 ADAARO O[C@@H]1c2ccccc2[NH+]=C2CCCN21 488402 351280728 /nfs/dbraw/zinc/28/07/28/351280728.db2.gz RDWJAMWCGSWTQS-LLVKDONJSA-N 1 0 188.230 1.817 50 0 biogenic ADAARO O[C@H]1c2ccccc2[NH+]=C2CCCN21 488403 351280752 /nfs/dbraw/zinc/28/07/52/351280752.db2.gz RDWJAMWCGSWTQS-NSHDSACASA-N 1 0 188.230 1.817 50 0 biogenic ADAARO c1ccc([C@@H]2C[NH2+]CCO2)cc1 532415 351281092 /nfs/dbraw/zinc/28/10/92/351281092.db2.gz ZLNGFYDJXZZFJP-JTQLQIEISA-N 1 0 163.220 1.348 50 0 in-vitro ADAARO OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 490789 351281444 /nfs/dbraw/zinc/28/14/44/351281444.db2.gz HDVAWXXJVMJBAR-ZJUUUORDSA-N 1 0 169.268 1.243 50 0 biogenic,in-vitro ADAARO c1ccc([C@H]2C[NH2+]CCO2)cc1 532414 351281487 /nfs/dbraw/zinc/28/14/87/351281487.db2.gz ZLNGFYDJXZZFJP-SNVBAGLBSA-N 1 0 163.220 1.348 50 0 in-vitro ADAARO c1cc(C[NH2+]C[C@H]2CCCO2)co1 810267 351282126 /nfs/dbraw/zinc/28/21/26/351282126.db2.gz WBDDEGSGJCEMOY-SNVBAGLBSA-N 1 0 181.235 1.548 50 0 ADAARO c1cc(C[NH2+]C[C@@H]2CCCO2)co1 810268 351282203 /nfs/dbraw/zinc/28/22/03/351282203.db2.gz WBDDEGSGJCEMOY-JTQLQIEISA-N 1 0 181.235 1.548 50 0 ADAARO c1ccc2[nH]c([C@@H]3CCC[NH2+]3)nc2c1 572722 351282522 /nfs/dbraw/zinc/28/25/22/351282522.db2.gz FHGVBMUGKDNVNB-JTQLQIEISA-N 1 0 187.246 1.987 50 0 in-vitro ADAARO c1ccc(C[NH2+]C2CC2)nc1 795098 351282600 /nfs/dbraw/zinc/28/26/00/351282600.db2.gz SVMBYSXPVZASTL-UHFFFAOYSA-N 1 0 148.209 1.334 50 0 in-vitro ADAARO c1cc[n+](-c2nc3ccccc3[nH]2)cc1 1273360 351284084 /nfs/dbraw/zinc/28/40/84/351284084.db2.gz XOPFPFXWJMHARA-UHFFFAOYSA-N 1 0 196.233 1.840 50 0 ADAARO C[C@@H]1C[C@H](O)C(C)(C)[N@H+](C)C1 1296077 351284142 /nfs/dbraw/zinc/28/41/42/351284142.db2.gz INVCLHCIBAGWDL-SFYZADRCSA-N 1 0 157.257 1.098 50 0 ADAARO C[C@@H]1C(=O)CC[N@H+](C2CC2)[C@@H]1C 1076027 351284149 /nfs/dbraw/zinc/28/41/49/351284149.db2.gz SECVTNICLPFQPY-JGVFFNPUSA-N 1 0 167.252 1.448 50 0 ADAARO c1ccc2c(c1)CC[NH2+]CC2 1274519 351284184 /nfs/dbraw/zinc/28/41/84/351284184.db2.gz MWVMYAWMFTVYED-UHFFFAOYSA-N 1 0 147.221 1.375 50 0 in-vitro ADAARO c1ccc([C@H]2CC[NH2+]C2)cc1 1237307 351284237 /nfs/dbraw/zinc/28/42/37/351284237.db2.gz PRRFFTYUBPGHLE-JTQLQIEISA-N 1 0 147.221 1.764 50 0 in-vivo ADAARO CCOc1cccc(C(N)=[NH2+])c1 1444885 351284921 /nfs/dbraw/zinc/28/49/21/351284921.db2.gz OZPMVTBYBADRPR-UHFFFAOYSA-N 1 0 164.208 1.369 50 0 in-vitro ADAARO CCOc1ccccc1C(N)=[NH2+] 1444880 351285327 /nfs/dbraw/zinc/28/53/27/351285327.db2.gz GOSDGLKRVHPJEV-UHFFFAOYSA-N 1 0 164.208 1.369 50 0 ADAARO CCOc1ccc(C(N)=[NH2+])cc1 1444883 351285335 /nfs/dbraw/zinc/28/53/35/351285335.db2.gz FLPFTRNWHJZQNE-UHFFFAOYSA-N 1 0 164.208 1.369 50 0 in-vitro ADAARO c1ccn(C2=[NH+]CCS2)c1 1519979 351286337 /nfs/dbraw/zinc/28/63/37/351286337.db2.gz RQIUACZERDNMIO-UHFFFAOYSA-N 1 0 152.222 1.439 50 0 ADAARO O[C@@H](c1ccccc1)C1CC[NH2+]CC1 1585526 351288372 /nfs/dbraw/zinc/28/83/72/351288372.db2.gz DUZLYYVHAOTWSF-LBPRGKRZSA-N 1 0 191.274 1.720 50 0 in-vitro ADAARO CC(C)CCC[NH3+] 1587829 351289164 /nfs/dbraw/zinc/28/91/64/351289164.db2.gz QVIAMKXOQGCYCV-UHFFFAOYSA-N 1 0 101.193 1.381 50 0 ADAARO CC(C)(O)[C@H]([NH3+])c1ccccc1 1594446 351289228 /nfs/dbraw/zinc/28/92/28/351289228.db2.gz FAKPSIGKWYUNJZ-SECBINFHSA-N 1 0 165.236 1.457 50 0 ADAARO C[C@@H]1CCC[C@H]1[NH3+] 1602493 351290130 /nfs/dbraw/zinc/29/01/30/351290130.db2.gz TYDMZADCGUWTCH-PHDIDXHHSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO CC(C)COCCC[NH3+] 1605929 351290136 /nfs/dbraw/zinc/29/01/36/351290136.db2.gz REJGIEGOYWEWPR-UHFFFAOYSA-N 1 0 131.219 1.008 50 0 in-vitro ADAARO C[C@@H]1CCC[C@@H]1[NH3+] 1602495 351290299 /nfs/dbraw/zinc/29/02/99/351290299.db2.gz TYDMZADCGUWTCH-RITPCOANSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO OCC[NH2+]C12CC3CC(CC(C3)C1)C2 1607069 351290309 /nfs/dbraw/zinc/29/03/09/351290309.db2.gz CYDWIRQXNVCQBX-UHFFFAOYSA-N 1 0 195.306 1.537 50 0 in-vitro ADAARO OCC[NH2+]Cc1ccc(Cl)cc1 1648978 351291316 /nfs/dbraw/zinc/29/13/16/351291316.db2.gz IEQFRJNTIYEFTM-UHFFFAOYSA-N 1 0 185.654 1.422 50 0 in-vitro ADAARO C[C@@H]1CC[NH2+][C@H](C)C1 1648181 351291461 /nfs/dbraw/zinc/29/14/61/351291461.db2.gz QOZOFODNIBQPGN-RNFRBKRXSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]C[C@@H](c2ccccc2)O1 1656380 351291542 /nfs/dbraw/zinc/29/15/42/351291542.db2.gz OEIVXYYFUJADLC-KOLCDFICSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO C[C@@H]1CCCC[C@H]1[NH3+] 1641407 351291664 /nfs/dbraw/zinc/29/16/64/351291664.db2.gz FEUISMYEFPANSS-RNFRBKRXSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 1669260 351292421 /nfs/dbraw/zinc/29/24/21/351292421.db2.gz HDVAWXXJVMJBAR-UWVGGRQHSA-N 1 0 169.268 1.243 50 0 biogenic,in-vitro ADAARO C[C@@H]1CCC[NH2+][C@@H]1C 1672869 351293102 /nfs/dbraw/zinc/29/31/02/351293102.db2.gz DRLFSUDDXLQHJT-RNFRBKRXSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO OCCC[NH2+]C1CCCCC1 1677095 351293107 /nfs/dbraw/zinc/29/31/07/351293107.db2.gz DFOAUWHTDKZVPW-UHFFFAOYSA-N 1 0 157.257 1.291 50 0 ADAARO C[C@@H]1CC[C@@H](C)[NH2+]1 1681221 351293775 /nfs/dbraw/zinc/29/37/75/351293775.db2.gz ZEBFPAXSQXIPNF-PHDIDXHHSA-N 1 0 99.177 1.147 50 0 in-vitro ADAARO O[C@@H]1CCCC[C@H]1[n+]1ccccc1 1685226 351294021 /nfs/dbraw/zinc/29/40/21/351294021.db2.gz SEDVIBLGTIIBMN-GHMZBOCLSA-N 1 0 178.255 1.450 50 0 ADAARO OCC[N@@H+]1CCc2ccccc2C1 1689482 351294099 /nfs/dbraw/zinc/29/40/99/351294099.db2.gz WLRXAYDWKJAYPS-UHFFFAOYSA-N 1 0 177.247 1.037 50 0 in-vitro ADAARO O[C@H]1CCCC[C@H]1[n+]1ccccc1 1685228 351294205 /nfs/dbraw/zinc/29/42/05/351294205.db2.gz SEDVIBLGTIIBMN-MNOVXSKESA-N 1 0 178.255 1.450 50 0 ADAARO CC(C)C[C@H](C)[NH3+] 1679558 351294264 /nfs/dbraw/zinc/29/42/64/351294264.db2.gz UNBMPKNTYKDYCG-LURJTMIESA-N 1 0 101.193 1.380 50 0 in-vitro ADAARO O[C@@H]1CCCC[C@@H]1[n+]1ccccc1 1685225 351294299 /nfs/dbraw/zinc/29/42/99/351294299.db2.gz SEDVIBLGTIIBMN-WDEREUQCSA-N 1 0 178.255 1.450 50 0 ADAARO CC(C)([NH3+])c1ccccc1 1693209 351295117 /nfs/dbraw/zinc/29/51/17/351295117.db2.gz KDFDOINBXBEOLZ-UHFFFAOYSA-N 1 0 135.210 1.880 50 0 ADAARO OCCCC[NH+]1CCCCC1 1700500 351296252 /nfs/dbraw/zinc/29/62/52/351296252.db2.gz YRISKTNAYHHICR-UHFFFAOYSA-N 1 0 157.257 1.245 50 0 in-vitro ADAARO O[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 1706760 351296831 /nfs/dbraw/zinc/29/68/31/351296831.db2.gz WZCPDFBYBSINPZ-RYUDHWBXSA-N 1 0 191.274 1.862 50 0 in-vitro ADAARO O[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 1706759 351296913 /nfs/dbraw/zinc/29/69/13/351296913.db2.gz WZCPDFBYBSINPZ-VXGBXAGGSA-N 1 0 191.274 1.862 50 0 in-vitro ADAARO OCC1(c2ccccc2)CC[NH2+]CC1 1730662 351298691 /nfs/dbraw/zinc/29/86/91/351298691.db2.gz YXDQCHJILIFZBY-UHFFFAOYSA-N 1 0 191.274 1.300 50 0 in-vitro ADAARO CC(C)([NH3+])CNc1ccccc1 1759090 351299312 /nfs/dbraw/zinc/29/93/12/351299312.db2.gz DFZRHHVRKNPTOQ-UHFFFAOYSA-N 1 0 164.252 1.836 50 0 ADAARO CC(C)([NH3+])[C@H](O)c1ccccc1 1759084 351299500 /nfs/dbraw/zinc/29/95/00/351299500.db2.gz QFTWUVJQXPFWNM-SECBINFHSA-N 1 0 165.236 1.457 50 0 in-vitro ADAARO C[C@@H]1CC(C)(C)C2=[NH+]CCN21 1865606 351300378 /nfs/dbraw/zinc/30/03/78/351300378.db2.gz HDRZUJTYEQAVHK-SSDOTTSWSA-N 1 0 152.241 1.519 50 0 ADAARO C[C@@H]1CCC[N@H+](CCC[NH3+])C1 2013389 351300865 /nfs/dbraw/zinc/30/08/65/351300865.db2.gz ADIQUBKLXXCKLT-SECBINFHSA-N 1 0 156.273 1.067 50 0 in-vitro ADAARO C[C@@H]1Oc2ccccc2C[C@@H]1[NH+](C)C 2014911 351300972 /nfs/dbraw/zinc/30/09/72/351300972.db2.gz FDJAKSHVOONYHX-ONGXEEELSA-N 1 0 191.274 1.940 50 0 in-man ADAARO c1cc2c(c3c1CC[NH2+]C3)OCO2 2010240 351301009 /nfs/dbraw/zinc/30/10/09/351301009.db2.gz HQVFWMFRDZKLPB-UHFFFAOYSA-N 1 0 177.203 1.061 50 0 ADAARO CC(C)([NH3+])c1cccs1 2000274 351301145 /nfs/dbraw/zinc/30/11/45/351301145.db2.gz JYFAHQAWCKSUOU-UHFFFAOYSA-N 1 0 141.239 1.942 50 0 in-vitro ADAARO CC(C)([NH3+])[C@@H](O)c1ccccc1 2019098 351301164 /nfs/dbraw/zinc/30/11/64/351301164.db2.gz QFTWUVJQXPFWNM-VIFPVBQESA-N 1 0 165.236 1.457 50 0 in-vitro ADAARO c1ccc(OC2CC[NH2+]CC2)cc1 2026856 351302420 /nfs/dbraw/zinc/30/24/20/351302420.db2.gz KBYPITRKIJKGMD-UHFFFAOYSA-N 1 0 177.247 1.817 50 0 in-vitro ADAARO CC(C)C[C@@H](C)[NH3+] 2041095 351302807 /nfs/dbraw/zinc/30/28/07/351302807.db2.gz UNBMPKNTYKDYCG-ZCFIWIBFSA-N 1 0 101.193 1.380 50 0 in-vivo ADAARO c1cc2c[nH+]ccc2[nH]1 2040901 351303011 /nfs/dbraw/zinc/30/30/11/351303011.db2.gz SRSKXJVMVSSSHB-UHFFFAOYSA-N 1 0 118.139 1.563 50 0 in-vitro ADAARO CC(C)C[NH2+]CC(C)C 2041067 351303261 /nfs/dbraw/zinc/30/32/61/351303261.db2.gz NJBCRXCAPCODGX-UHFFFAOYSA-N 1 0 129.247 1.888 50 0 in-vitro ADAARO C[C@@H]1CCCC[NH2+]1 2041084 351303375 /nfs/dbraw/zinc/30/33/75/351303375.db2.gz NNWUEBIEOFQMSS-ZCFIWIBFSA-N 1 0 99.177 1.148 50 0 endogenous,in-man ADAARO C[C@@H]1CCCC[N@@H+]1CCCO 2043705 351303396 /nfs/dbraw/zinc/30/33/96/351303396.db2.gz JNSUUJLFWBSBME-SECBINFHSA-N 1 0 157.257 1.243 50 0 ADAARO CC(C)C([NH3+])C(C)C 2146723 351303985 /nfs/dbraw/zinc/30/39/85/351303985.db2.gz FATQVQVMXNESGD-UHFFFAOYSA-N 1 0 115.220 1.626 50 0 in-vitro ADAARO CC(C)CC[NH+]1CCC(C(N)=O)CC1 2160104 351304264 /nfs/dbraw/zinc/30/42/64/351304264.db2.gz YCTSBMOHEVMKLG-UHFFFAOYSA-N 1 0 198.310 1.230 50 0 ADAARO OCCCC[NH2+]Cc1ccccc1 2134998 351304412 /nfs/dbraw/zinc/30/44/12/351304412.db2.gz SNRCGOVPZJPRQZ-UHFFFAOYSA-N 1 0 179.263 1.549 50 0 in-vitro ADAARO CCCOC[C@@H](O)C[NH+](CC)CC 2273204 351305156 /nfs/dbraw/zinc/30/51/56/351305156.db2.gz BFAZSAWYBJCZTB-JTQLQIEISA-N 1 0 189.299 1.116 50 0 ADAARO CCCOC[C@H](O)C[NH+](CC)CC 2273203 351305213 /nfs/dbraw/zinc/30/52/13/351305213.db2.gz BFAZSAWYBJCZTB-SNVBAGLBSA-N 1 0 189.299 1.116 50 0 ADAARO c1ccc(C[C@H]2CCC[NH2+]2)cc1 2384178 351306119 /nfs/dbraw/zinc/30/61/19/351306119.db2.gz NKHMSOXIXROFRU-LLVKDONJSA-N 1 0 161.248 1.981 50 0 in-vitro ADAARO CCc1ccc(C[NH3+])cc1 2380361 351306184 /nfs/dbraw/zinc/30/61/84/351306184.db2.gz DGAGEFUEKIORSQ-UHFFFAOYSA-N 1 0 135.210 1.708 50 0 in-vitro ADAARO CC(C)[C@@H]1CCC[NH2+]1 2382432 351306242 /nfs/dbraw/zinc/30/62/42/351306242.db2.gz UOADRGAJWNJVGC-ZETCQYMHSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO Cc1ccc(F)c(C[NH3+])c1F 2382054 351306326 /nfs/dbraw/zinc/30/63/26/351306326.db2.gz ARYISIHEKZVZMJ-UHFFFAOYSA-N 1 0 157.163 1.732 50 0 in-vitro ADAARO CN(CCC[NH3+])C(=O)OC(C)(C)C 2381620 351306338 /nfs/dbraw/zinc/30/63/38/351306338.db2.gz PNQYAMWGTGWJDW-UHFFFAOYSA-N 1 0 188.271 1.202 50 0 in-vitro ADAARO Cc1ccc(C[NH3+])c(F)c1F 2382052 351306346 /nfs/dbraw/zinc/30/63/46/351306346.db2.gz BHMZMUKPFBBPKG-UHFFFAOYSA-N 1 0 157.163 1.732 50 0 ADAARO Cc1cc(C[NH3+])ccc1F 2382155 351306367 /nfs/dbraw/zinc/30/63/67/351306367.db2.gz PQXWYQZQCWWMDQ-UHFFFAOYSA-N 1 0 139.173 1.593 50 0 in-vitro ADAARO Cc1ccc(C[NH3+])cc1F 2382210 351306476 /nfs/dbraw/zinc/30/64/76/351306476.db2.gz XCAJNBJDLZPHNB-UHFFFAOYSA-N 1 0 139.173 1.593 50 0 in-vitro ADAARO CC(C)C[C@@H]1CCC[NH2+]1 2382434 351306527 /nfs/dbraw/zinc/30/65/27/351306527.db2.gz GNUABXXBKUNKNU-QMMMGPOBSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO c1ccc(C[C@@H]2CCC[NH2+]2)cc1 2382427 351306531 /nfs/dbraw/zinc/30/65/31/351306531.db2.gz NKHMSOXIXROFRU-NSHDSACASA-N 1 0 161.248 1.981 50 0 in-vitro ADAARO c1ccc(C[C@@H]2CC[NH2+]C2)cc1 2386726 351307104 /nfs/dbraw/zinc/30/71/04/351307104.db2.gz HFBLCYZEOGXHDP-NSHDSACASA-N 1 0 161.248 1.839 50 0 in-vitro ADAARO c1ccc2c(c1)OCC21CC[NH2+]CC1 2391732 351307112 /nfs/dbraw/zinc/30/71/12/351307112.db2.gz HEOQEWRIMCDLFB-UHFFFAOYSA-N 1 0 189.258 1.700 50 0 ADAARO c1cc([C@@H]2CC[NH2+]C2)ccn1 2386733 351307140 /nfs/dbraw/zinc/30/71/40/351307140.db2.gz HWJSDKNFWQDVIG-SECBINFHSA-N 1 0 148.209 1.159 50 0 in-vitro ADAARO CC(C)C[C@@H](O)C[NH2+]C(C)(C)C 2485570 351307198 /nfs/dbraw/zinc/30/71/98/351307198.db2.gz GGMCHAHRXCCZSS-SECBINFHSA-N 1 0 173.300 1.782 50 0 ADAARO c1ccc2c(c1)CC1(CC[NH2+]C1)C2 2391696 351307223 /nfs/dbraw/zinc/30/72/23/351307223.db2.gz KKIJUZNAECTSAG-UHFFFAOYSA-N 1 0 173.259 1.765 50 0 ADAARO c1cncc([C@@H]2CC[NH2+]C2)c1 2386730 351307227 /nfs/dbraw/zinc/30/72/27/351307227.db2.gz JNZDYUPZUHCHFK-SECBINFHSA-N 1 0 148.209 1.159 50 0 in-vitro ADAARO c1ccc2c(c1)COC21CC[NH2+]CC1 2391730 351307323 /nfs/dbraw/zinc/30/73/23/351307323.db2.gz BYOIMOJOKVUNTP-UHFFFAOYSA-N 1 0 189.258 1.796 50 0 in-vitro ADAARO c1cc([C@@H]2CCC[NH2+]2)ccn1 2386725 351307347 /nfs/dbraw/zinc/30/73/47/351307347.db2.gz GDGNPIOGJLCICG-VIFPVBQESA-N 1 0 148.209 1.506 50 0 in-vitro ADAARO CC(C)C[C@H](O)C[NH2+]C(C)(C)C 2485569 351307351 /nfs/dbraw/zinc/30/73/51/351307351.db2.gz GGMCHAHRXCCZSS-VIFPVBQESA-N 1 0 173.300 1.782 50 0 ADAARO c1ccc(SC2CC[NH2+]CC2)nc1 2513156 351308014 /nfs/dbraw/zinc/30/80/14/351308014.db2.gz PQNPFWYEMJMDTQ-UHFFFAOYSA-N 1 0 194.303 1.926 50 0 in-vitro ADAARO c1cc(SC2CC[NH2+]CC2)ccn1 2513157 351308023 /nfs/dbraw/zinc/30/80/23/351308023.db2.gz YWBZWMIDALGFRN-UHFFFAOYSA-N 1 0 194.303 1.926 50 0 in-vitro ADAARO CCOc1cccc(C[NH3+])c1 2524619 351308057 /nfs/dbraw/zinc/30/80/57/351308057.db2.gz ORFDOJUUDDVASP-UHFFFAOYSA-N 1 0 151.209 1.544 50 0 in-vitro ADAARO c1cc(OC2CC[NH2+]CC2)ccn1 2513133 351308144 /nfs/dbraw/zinc/30/81/44/351308144.db2.gz UNKDCRUEJJZIIB-UHFFFAOYSA-N 1 0 178.235 1.212 50 0 in-vitro ADAARO c1ccc2c(c1)C[NH2+]CCN2 2511438 351308325 /nfs/dbraw/zinc/30/83/25/351308325.db2.gz MLXBHOCKBUILHN-UHFFFAOYSA-N 1 0 148.209 1.202 50 0 in-vivo ADAARO c1cncc([C@@H]2C[NH2+]CCS2)c1 2513074 351308377 /nfs/dbraw/zinc/30/83/77/351308377.db2.gz BMYYUGOVEFECNJ-VIFPVBQESA-N 1 0 180.276 1.459 50 0 ADAARO c1ccc(C[C@@H]2COCC[NH2+]2)cc1 2529109 351308910 /nfs/dbraw/zinc/30/89/10/351308910.db2.gz LSXCLMMIDIVSFG-LLVKDONJSA-N 1 0 177.247 1.218 50 0 in-vitro ADAARO c1ccc(O[C@H]2CCC[NH2+]C2)nc1 2529111 351308949 /nfs/dbraw/zinc/30/89/49/351308949.db2.gz SVZFUIWKOIHVGL-VIFPVBQESA-N 1 0 178.235 1.212 50 0 ADAARO c1cc(O[C@H]2CCC[NH2+]C2)ccn1 2529112 351308974 /nfs/dbraw/zinc/30/89/74/351308974.db2.gz SMRSTPFSSZRHHP-JTQLQIEISA-N 1 0 178.235 1.212 50 0 in-vitro ADAARO CCOc1cc(CC[NH3+])ccc1O 2528182 351309256 /nfs/dbraw/zinc/30/92/56/351309256.db2.gz UIUMGHFVRJSGKY-UHFFFAOYSA-N 1 0 181.235 1.292 50 0 ADAARO OCc1ccc(C2CC[NH2+]CC2)cc1 2527190 351309310 /nfs/dbraw/zinc/30/93/10/351309310.db2.gz XILJROLFLMLLDG-UHFFFAOYSA-N 1 0 191.274 1.646 50 0 in-vitro ADAARO CCOc1ccccc1CC[NH3+] 2528180 351309319 /nfs/dbraw/zinc/30/93/19/351309319.db2.gz VDSGSZWDSYFYCJ-UHFFFAOYSA-N 1 0 165.236 1.587 50 0 in-vitro ADAARO OCCC[NH2+]Cc1ccc(Cl)cc1 2533916 351309888 /nfs/dbraw/zinc/30/98/88/351309888.db2.gz IIECOMXFSFQMMM-UHFFFAOYSA-N 1 0 199.681 1.812 50 0 ADAARO c1csc([C@@H]2CCC[NH2+]2)n1 2534013 351310058 /nfs/dbraw/zinc/31/00/58/351310058.db2.gz OHXHYELTRYIFII-LURJTMIESA-N 1 0 154.238 1.568 50 0 in-vitro ADAARO CCOc1c(CC[NH3+])cccc1OC 2534093 351310097 /nfs/dbraw/zinc/31/00/97/351310097.db2.gz ZAFQGFANJDACBB-UHFFFAOYSA-N 1 0 195.262 1.595 50 0 in-vitro ADAARO CCOc1ccc([C@H]([NH3+])CCO)cc1 2535247 351310128 /nfs/dbraw/zinc/31/01/28/351310128.db2.gz IZBNPXYEYWHXKS-LLVKDONJSA-N 1 0 195.262 1.468 50 0 ADAARO c1ccc(C[C@H]2CCC[NH2+]2)nc1 2534015 351310232 /nfs/dbraw/zinc/31/02/32/351310232.db2.gz HAPUOOBIEAPWAZ-SNVBAGLBSA-N 1 0 162.236 1.376 50 0 ADAARO c1csc([C@H]2CCCC[NH2+]2)n1 2534023 351310427 /nfs/dbraw/zinc/31/04/27/351310427.db2.gz ILFOGJAUBNLBDZ-SSDOTTSWSA-N 1 0 168.265 1.958 50 0 in-vitro ADAARO OCCC[NH2+]Cc1ccccc1Cl 2555534 351310855 /nfs/dbraw/zinc/31/08/55/351310855.db2.gz DFDHIXJRENDGCN-UHFFFAOYSA-N 1 0 199.681 1.812 50 0 in-vitro ADAARO c1cc2c(s1)CC[NH2+]C2 2553922 351310926 /nfs/dbraw/zinc/31/09/26/351310926.db2.gz OGUWOLDNYOTRBO-UHFFFAOYSA-N 1 0 139.223 1.394 50 0 in-vitro ADAARO CC(C)C[NH+]1CCC(=O)CC1 2556461 351310951 /nfs/dbraw/zinc/31/09/51/351310951.db2.gz KMTASGXMTBUSSP-UHFFFAOYSA-N 1 0 155.241 1.307 50 0 in-vitro ADAARO O[C@@H](c1cccnc1)C1CC[NH2+]CC1 2559729 351311037 /nfs/dbraw/zinc/31/10/37/351311037.db2.gz GMUHNGNJDJIZLQ-LLVKDONJSA-N 1 0 192.262 1.115 50 0 in-vitro ADAARO CCOc1ccc(C[NH3+])cc1OCC 2558383 351311327 /nfs/dbraw/zinc/31/13/27/351311327.db2.gz KLDARETZOURFAY-UHFFFAOYSA-N 1 0 195.262 1.943 50 0 in-vitro ADAARO CC[C@@H](C)[NH2+]C[C@@H]1CCCO1 2554105 351311377 /nfs/dbraw/zinc/31/13/77/351311377.db2.gz DTGKGWYYYLRIBA-BDAKNGLRSA-N 1 0 157.257 1.554 50 0 ADAARO c1ccc(O[C@H]2CCC[NH2+]C2)cc1 2553877 351311463 /nfs/dbraw/zinc/31/14/63/351311463.db2.gz QDPNIJKUTWDGMV-NSHDSACASA-N 1 0 177.247 1.817 50 0 in-vitro ADAARO OCCC[NH2+]Cc1ccc(F)cc1 2555533 351311469 /nfs/dbraw/zinc/31/14/69/351311469.db2.gz WUANPVZFFZNHAA-UHFFFAOYSA-N 1 0 183.226 1.298 50 0 ADAARO CCOc1cc(C[NH3+])ccc1O 2570865 351312938 /nfs/dbraw/zinc/31/29/38/351312938.db2.gz SLVLKKUFQLKYMH-UHFFFAOYSA-N 1 0 167.208 1.250 50 0 in-vitro ADAARO CCOc1cccc(CC[NH3+])c1 2574330 351313091 /nfs/dbraw/zinc/31/30/91/351313091.db2.gz PBWUNLYMHNSAPQ-UHFFFAOYSA-N 1 0 165.236 1.587 50 0 in-vitro ADAARO CC(C)C[C@H](N)C(=O)OC(C)(C)C 2579053 351313173 /nfs/dbraw/zinc/31/31/73/351313173.db2.gz HBEJJYHFTZDAHZ-QMMMGPOBSA-N 1 0 187.283 1.702 50 0 ADAARO CCOc1cc(CC[NH3+])ccc1OC 2571861 351313239 /nfs/dbraw/zinc/31/32/39/351313239.db2.gz NJVDYCNYTDOXPX-UHFFFAOYSA-N 1 0 195.262 1.595 50 0 in-vitro ADAARO c1cc([C@@H]2CCCC[NH2+]2)ccn1 2577424 351313321 /nfs/dbraw/zinc/31/33/21/351313321.db2.gz WERCHVXXXMTJME-JTQLQIEISA-N 1 0 162.236 1.896 50 0 in-vitro ADAARO c1coc(C2CC[NH2+]CC2)c1 2577364 351313336 /nfs/dbraw/zinc/31/33/36/351313336.db2.gz BWWXUEJZTQGNIW-UHFFFAOYSA-N 1 0 151.209 1.747 50 0 in-vitro ADAARO CC(C)C[C@@H](N)C(=O)OC(C)(C)C 2575107 351313369 /nfs/dbraw/zinc/31/33/69/351313369.db2.gz HBEJJYHFTZDAHZ-MRVPVSSYSA-N 1 0 187.283 1.702 50 0 ADAARO CCOc1ccc(CC[NH3+])cc1OC 2571862 351313491 /nfs/dbraw/zinc/31/34/91/351313491.db2.gz AFMUTJRFLRYILG-UHFFFAOYSA-N 1 0 195.262 1.595 50 0 in-vitro ADAARO c1coc([C@@H]2CCC[NH2+]2)c1 2582574 351314301 /nfs/dbraw/zinc/31/43/01/351314301.db2.gz LIFJPSLQRGQNMM-ZETCQYMHSA-N 1 0 137.182 1.704 50 0 endogenous,in-man ADAARO CC(C)C[NH2+]C[C@H](O)c1ccccc1 2655333 351314509 /nfs/dbraw/zinc/31/45/09/351314509.db2.gz UERFLMOOWGTPDV-LBPRGKRZSA-N 1 0 193.290 1.966 50 0 in-vitro ADAARO CC(C)C[NH2+]C[C@@H](O)c1ccccc1 2655334 351314578 /nfs/dbraw/zinc/31/45/78/351314578.db2.gz UERFLMOOWGTPDV-GFCCVEGCSA-N 1 0 193.290 1.966 50 0 in-vitro ADAARO c1cncc([C@@H]2CSCC[NH2+]2)c1 2585748 351314582 /nfs/dbraw/zinc/31/45/82/351314582.db2.gz VMUCLRLJLVBTPL-VIFPVBQESA-N 1 0 180.276 1.459 50 0 in-vitro ADAARO C[C@H](COc1ccccc1)[NH2+]CCO 3073125 351315595 /nfs/dbraw/zinc/31/55/95/351315595.db2.gz RANHEEPQMBBPKB-SNVBAGLBSA-N 1 0 195.262 1.036 50 0 ADAARO CC(C)(O)[C@](C)([NH3+])c1ccccc1 3136985 351317279 /nfs/dbraw/zinc/31/72/79/351317279.db2.gz UAFRZHPCPUUEGX-LLVKDONJSA-N 1 0 179.263 1.631 50 0 ADAARO CC(C)C(C)(C)[NH3+] 3627630 351318038 /nfs/dbraw/zinc/31/80/38/351318038.db2.gz YQNVPNRHJFZONU-UHFFFAOYSA-N 1 0 101.193 1.380 50 0 in-vitro ADAARO CCOc1ccc(OCC[NH3+])cc1 3399142 351318154 /nfs/dbraw/zinc/31/81/54/351318154.db2.gz JGSWBHOLQPOFDV-UHFFFAOYSA-N 1 0 181.235 1.423 50 0 ADAARO CC(C)C[C@H]([NH3+])[C@@H](O)C(F)(F)F 3259964 351318199 /nfs/dbraw/zinc/31/81/99/351318199.db2.gz WZSHMIPUSYLNSA-NTSWFWBYSA-N 1 0 185.189 1.283 50 0 ADAARO CC(C)C[C@@H]([NH3+])[C@H](O)C(F)(F)F 3259963 351318354 /nfs/dbraw/zinc/31/83/54/351318354.db2.gz WZSHMIPUSYLNSA-RITPCOANSA-N 1 0 185.189 1.283 50 0 ADAARO c1ccc(CNC2=[NH+]CCS2)cc1 3220794 351318411 /nfs/dbraw/zinc/31/84/11/351318411.db2.gz GANOLKRMSPPWQJ-UHFFFAOYSA-N 1 0 192.287 1.879 50 0 in-vitro ADAARO c1cc2c3c(c1)ccn3CC[NH2+]C2 3609938 351318535 /nfs/dbraw/zinc/31/85/35/351318535.db2.gz SCHWVSIGGZUEGI-UHFFFAOYSA-N 1 0 172.231 1.745 50 0 ADAARO C[C@@H]1CCC[C@@H](C)[NH2+]1 3641748 351318595 /nfs/dbraw/zinc/31/85/95/351318595.db2.gz SDGKUVSVPIIUCF-RNFRBKRXSA-N 1 0 113.204 1.537 50 0 in-man ADAARO c1csc([C@@H]2CCCC[NH2+]2)n1 3734754 351319009 /nfs/dbraw/zinc/31/90/09/351319009.db2.gz ILFOGJAUBNLBDZ-ZETCQYMHSA-N 1 0 168.265 1.958 50 0 in-vitro ADAARO c1cc([C@H]2CCC[NH2+]2)ccn1 3732215 351319033 /nfs/dbraw/zinc/31/90/33/351319033.db2.gz GDGNPIOGJLCICG-SECBINFHSA-N 1 0 148.209 1.506 50 0 in-vitro ADAARO OC[C@H]1CCCC[N@@H+]1Cc1ccco1 3682982 351319119 /nfs/dbraw/zinc/31/91/19/351319119.db2.gz RMMBZHULMFWBRK-SNVBAGLBSA-N 1 0 195.262 1.626 50 0 ADAARO c1cc(C[C@H]2CCCC[NH2+]2)ccn1 3734811 351319152 /nfs/dbraw/zinc/31/91/52/351319152.db2.gz AEUYGRJBDIISBC-LLVKDONJSA-N 1 0 176.263 1.766 50 0 in-vitro ADAARO c1cc([C@H]2CCCC[NH2+]2)ccn1 3734423 351319156 /nfs/dbraw/zinc/31/91/56/351319156.db2.gz WERCHVXXXMTJME-SNVBAGLBSA-N 1 0 162.236 1.896 50 0 in-vitro ADAARO c1csc([C@H]2CCC[NH2+]2)n1 3732430 351319217 /nfs/dbraw/zinc/31/92/17/351319217.db2.gz OHXHYELTRYIFII-ZCFIWIBFSA-N 1 0 154.238 1.568 50 0 in-vitro ADAARO c1ccc([C@H]2CCCC[NH2+]2)nc1 3734420 351319269 /nfs/dbraw/zinc/31/92/69/351319269.db2.gz KXRQQPIHUMSJSS-SNVBAGLBSA-N 1 0 162.236 1.896 50 0 in-vitro ADAARO OC[C@@H]1CCCC[N@@H+]1Cc1ccco1 3682980 351319291 /nfs/dbraw/zinc/31/92/91/351319291.db2.gz RMMBZHULMFWBRK-JTQLQIEISA-N 1 0 195.262 1.626 50 0 ADAARO c1ccc(C[C@@H]2CCC[NH2+]2)nc1 3732473 351319361 /nfs/dbraw/zinc/31/93/61/351319361.db2.gz HAPUOOBIEAPWAZ-JTQLQIEISA-N 1 0 162.236 1.376 50 0 ADAARO CC(C)C[C@H]1CCC[NH2+]1 3732222 351319377 /nfs/dbraw/zinc/31/93/77/351319377.db2.gz GNUABXXBKUNKNU-MRVPVSSYSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO CC[C@@H](C)[C@@H]1CCC[NH2+]1 3732256 351319479 /nfs/dbraw/zinc/31/94/79/351319479.db2.gz KCHJATHVAOQQQV-SFYZADRCSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO c1cc2c(cc1[C@H]1CCC[NH2+]1)OCO2 3732324 351319485 /nfs/dbraw/zinc/31/94/85/351319485.db2.gz RFDZPAOUCULWED-SECBINFHSA-N 1 0 191.230 1.840 50 0 ADAARO OC1CC[NH+](Cc2cccnc2)CC1 3684262 351319586 /nfs/dbraw/zinc/31/95/86/351319586.db2.gz AUODTTICNNQAGC-UHFFFAOYSA-N 1 0 192.262 1.038 50 0 ADAARO C[C@@H]1O[C@]2(CS1)C[NH+]1CCC2CC1 3792909 351320134 /nfs/dbraw/zinc/32/01/34/351320134.db2.gz WUTYZMFRCNBCHQ-SCZZXKLOSA-N 1 0 199.319 1.560 50 0 in-vitro ADAARO Oc1ccc2c(c1)CC[NH2+]C2 3847388 351320176 /nfs/dbraw/zinc/32/01/76/351320176.db2.gz SCMZIFSYPJICCV-UHFFFAOYSA-N 1 0 149.193 1.038 50 0 in-vitro ADAARO CC[C@@H](C)NC1=[NH+]C[C@H](C)S1 4207809 351326077 /nfs/dbraw/zinc/32/60/77/351326077.db2.gz FPORBLGIQSSPPA-RQJHMYQMSA-N 1 0 172.297 1.866 50 0 ADAARO Oc1ccc2c(c1)C[NH2+]CC2 3847389 351320576 /nfs/dbraw/zinc/32/05/76/351320576.db2.gz RADQTHXRZJGDQI-UHFFFAOYSA-N 1 0 149.193 1.038 50 0 in-vivo ADAARO c1cc(N2CCCC2)cc[nH+]1 3861504 351321501 /nfs/dbraw/zinc/32/15/01/351321501.db2.gz RGUKYNXWOWSRET-UHFFFAOYSA-N 1 0 148.209 1.682 50 0 ADAARO c1ccc2c(c1)CC[NH2+]C2 3860771 351321812 /nfs/dbraw/zinc/32/18/12/351321812.db2.gz UWYZHKAOTLEWKK-UHFFFAOYSA-N 1 0 133.194 1.332 50 0 endogenous,in-man ADAARO C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C 3861432 351321934 /nfs/dbraw/zinc/32/19/34/351321934.db2.gz LKWOOKWVBNSLGN-BWZBUEFSSA-N 1 0 127.231 1.770 50 0 ADAARO C[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@@H]12 3866179 351322035 /nfs/dbraw/zinc/32/20/35/351322035.db2.gz LVDLOGDWSPRQQJ-GUBZILKMSA-N 1 0 169.268 1.290 50 0 ADAARO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C 3861431 351322045 /nfs/dbraw/zinc/32/20/45/351322045.db2.gz LKWOOKWVBNSLGN-PRJMDXOYSA-N 1 0 127.231 1.770 50 0 ADAARO C[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@H]12 3866181 351322054 /nfs/dbraw/zinc/32/20/54/351322054.db2.gz LVDLOGDWSPRQQJ-AEJSXWLSSA-N 1 0 169.268 1.290 50 0 ADAARO C[C@@H]([C@@H](O)c1ccccc1)[NH+](C)C 3874419 351322798 /nfs/dbraw/zinc/32/27/98/351322798.db2.gz FMCGSUUBYTWNDP-GXSJLCMTSA-N 1 0 179.263 1.670 50 0 biogenic,world ADAARO OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 3881368 351322836 /nfs/dbraw/zinc/32/28/36/351322836.db2.gz HDVAWXXJVMJBAR-VHSXEESVSA-N 1 0 169.268 1.243 50 0 biogenic,in-vitro ADAARO C[C@@H]1CC(=O)[C@@H]2CCCC[C@H]2[NH2+]1 4023368 351323383 /nfs/dbraw/zinc/32/33/83/351323383.db2.gz SEAPKWHFVCCJBB-IWSPIJDZSA-N 1 0 167.252 1.496 50 0 biogenic,in-vitro ADAARO C[C@@H]1C[C@H](O)[C@H]2CCCC[C@H]2[NH2+]1 4028679 351323504 /nfs/dbraw/zinc/32/35/04/351323504.db2.gz JPJPPIBIZQCWDH-RGOKHQFPSA-N 1 0 169.268 1.288 50 0 biogenic ADAARO C[C@@H]1CC(=O)[C@H]2CCCC[C@H]2[NH2+]1 4023369 351323726 /nfs/dbraw/zinc/32/37/26/351323726.db2.gz SEAPKWHFVCCJBB-HRDYMLBCSA-N 1 0 167.252 1.496 50 0 biogenic ADAARO CC[C@@H](C)[NH2+]C[C@H](O)C(F)(F)F 4050493 351323762 /nfs/dbraw/zinc/32/37/62/351323762.db2.gz XHHBBCJFYLKQGK-RITPCOANSA-N 1 0 185.189 1.298 50 0 ADAARO c1ccc(CNC2=[NH+]CCC2)nc1 4058637 351323804 /nfs/dbraw/zinc/32/38/04/351323804.db2.gz YESBQBSXEIHNRQ-UHFFFAOYSA-N 1 0 175.235 1.364 50 0 ADAARO C[C@@H]1C[C@H](O)[C@@H]2CCCC[C@@H]2[NH2+]1 4028676 351324122 /nfs/dbraw/zinc/32/41/22/351324122.db2.gz JPJPPIBIZQCWDH-IMSYWVGJSA-N 1 0 169.268 1.288 50 0 biogenic ADAARO C[C@@H]1C[C@H](O)[C@H]2CCCC[C@@H]2[NH2+]1 4028677 351324163 /nfs/dbraw/zinc/32/41/63/351324163.db2.gz JPJPPIBIZQCWDH-KATARQTJSA-N 1 0 169.268 1.288 50 0 biogenic ADAARO CC[C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F 4050497 351324181 /nfs/dbraw/zinc/32/41/81/351324181.db2.gz XHHBBCJFYLKQGK-PHDIDXHHSA-N 1 0 185.189 1.298 50 0 ADAARO c1ccc(N[C@H]2CCC[NH2+]C2)cc1 4202644 351324777 /nfs/dbraw/zinc/32/47/77/351324777.db2.gz JQDNZFYQBNCCRO-NSHDSACASA-N 1 0 176.263 1.851 50 0 in-vitro ADAARO c1ccc(N[C@@H]2CCC[NH2+]C2)cc1 4202643 351325020 /nfs/dbraw/zinc/32/50/20/351325020.db2.gz JQDNZFYQBNCCRO-LLVKDONJSA-N 1 0 176.263 1.851 50 0 in-vitro ADAARO C[C@@H]1C(=O)CC[N@H+](C2CC2)[C@H]1C 4127229 351325088 /nfs/dbraw/zinc/32/50/88/351325088.db2.gz SECVTNICLPFQPY-YUMQZZPRSA-N 1 0 167.252 1.448 50 0 ADAARO CCOc1c(C[NH3+])cccc1OC 4227547 351325574 /nfs/dbraw/zinc/32/55/74/351325574.db2.gz OSEQUTZSYCJOBV-UHFFFAOYSA-N 1 0 181.235 1.553 50 0 in-vitro ADAARO OC[C@H]1CC[N@H+](Cc2ccccc2)C1 4202932 351325602 /nfs/dbraw/zinc/32/56/02/351325602.db2.gz QPQQBJDSKDWQMJ-LBPRGKRZSA-N 1 0 191.274 1.501 50 0 in-vitro ADAARO C[C@@H]1[NH2+]CCc2sccc21 4218410 351325639 /nfs/dbraw/zinc/32/56/39/351325639.db2.gz IKTLCKCXJUXCSP-LURJTMIESA-N 1 0 153.250 1.955 50 0 in-vitro ADAARO c1ccc(COC[C@H]2CCC[NH2+]2)cc1 4234785 351325686 /nfs/dbraw/zinc/32/56/86/351325686.db2.gz WZWVGKAJVSLHAE-GFCCVEGCSA-N 1 0 191.274 1.955 50 0 in-vitro ADAARO c1ccc(N[C@@H]2CC[NH2+]C2)cc1 4245544 351325705 /nfs/dbraw/zinc/32/57/05/351325705.db2.gz AAFUQJGCJNFFRT-SNVBAGLBSA-N 1 0 162.236 1.460 50 0 in-vitro ADAARO c1ccc(COC[C@@H]2CCC[NH2+]2)cc1 4234784 351325712 /nfs/dbraw/zinc/32/57/12/351325712.db2.gz WZWVGKAJVSLHAE-LBPRGKRZSA-N 1 0 191.274 1.955 50 0 in-vitro ADAARO CCOc1ccccc1OCC[NH3+] 4227459 351325750 /nfs/dbraw/zinc/32/57/50/351325750.db2.gz OOKCBENPEIHOJG-UHFFFAOYSA-N 1 0 181.235 1.423 50 0 in-vitro ADAARO CC(C)CNC1=[NH+]C[C@@H](C)S1 4207815 351325756 /nfs/dbraw/zinc/32/57/56/351325756.db2.gz QXBNUVGTSLREGK-SSDOTTSWSA-N 1 0 172.297 1.723 50 0 ADAARO OC[C@@H]1CC[N@H+](Cc2ccccc2)C1 4202933 351325800 /nfs/dbraw/zinc/32/58/00/351325800.db2.gz QPQQBJDSKDWQMJ-GFCCVEGCSA-N 1 0 191.274 1.501 50 0 in-vitro ADAARO CC(C)CNC1=[NH+]C[C@H](C)S1 4207816 351325817 /nfs/dbraw/zinc/32/58/17/351325817.db2.gz QXBNUVGTSLREGK-ZETCQYMHSA-N 1 0 172.297 1.723 50 0 ADAARO CC[C@@H](C)NC1=[NH+]C[C@@H](C)S1 4207812 351325837 /nfs/dbraw/zinc/32/58/37/351325837.db2.gz FPORBLGIQSSPPA-RNFRBKRXSA-N 1 0 172.297 1.866 50 0 ADAARO C[C@@H]1C[NH2+]CC[C@@H]1C(=O)OC(C)(C)C 4203741 351325843 /nfs/dbraw/zinc/32/58/43/351325843.db2.gz AVBWGECREPOGMS-BDAKNGLRSA-N 1 0 199.294 1.574 50 0 ADAARO C[C@@H]1C[NH2+]CC[C@H]1C(=O)OC(C)(C)C 4203743 351325861 /nfs/dbraw/zinc/32/58/61/351325861.db2.gz AVBWGECREPOGMS-RKDXNWHRSA-N 1 0 199.294 1.574 50 0 ADAARO c1ccc([C@H]2CCC[NH2+]2)nc1 4234751 351325870 /nfs/dbraw/zinc/32/58/70/351325870.db2.gz NDCZQFDBSPOUDF-SECBINFHSA-N 1 0 148.209 1.506 50 0 in-vitro ADAARO c1cn(-c2cc[nH+]cc2)cn1 4227999 351325941 /nfs/dbraw/zinc/32/59/41/351325941.db2.gz JNDMBEDJCZRWLO-UHFFFAOYSA-N 1 0 145.165 1.267 50 0 in-vitro ADAARO c1ccn2c([C@@H]3CCC[NH2+]3)nnc2c1 4218760 351326041 /nfs/dbraw/zinc/32/60/41/351326041.db2.gz ZKVONDFAKBDNMM-QMMMGPOBSA-N 1 0 188.234 1.154 50 0 ADAARO C[C@@H]1C[C@@H](O)C(C)(C)[N@H+](C)C1 4343790 351327753 /nfs/dbraw/zinc/32/77/53/351327753.db2.gz INVCLHCIBAGWDL-HTQZYQBOSA-N 1 0 157.257 1.098 50 0 ADAARO c1csc(C[NH2+]C[C@@H]2CCCO2)n1 4298834 351327779 /nfs/dbraw/zinc/32/77/79/351327779.db2.gz BJQDUWDHDLFWMO-QMMMGPOBSA-N 1 0 198.291 1.412 50 0 ADAARO O[C@H](C[NH+]1CCCC1)c1ccccc1 4334807 351327875 /nfs/dbraw/zinc/32/78/75/351327875.db2.gz FHBPYEQRIDZSBP-GFCCVEGCSA-N 1 0 191.274 1.816 50 0 ADAARO OCC[NH2+][C@H]1CCCc2ccccc21 4290962 351327897 /nfs/dbraw/zinc/32/78/97/351327897.db2.gz ATHCMLMFXXTYEA-LBPRGKRZSA-N 1 0 191.274 1.646 50 0 in-vitro ADAARO COCC[N@@H+]1CCC(=O)[C@@H]2CCC[C@@H]21 4344154 351327913 /nfs/dbraw/zinc/32/79/13/351327913.db2.gz IUOLYOXUZNUQQK-ZJUUUORDSA-N 1 0 197.278 1.076 50 0 ADAARO COCC[N@@H+]1CCC(=O)[C@H]2CCC[C@@H]21 4344153 351328050 /nfs/dbraw/zinc/32/80/50/351328050.db2.gz IUOLYOXUZNUQQK-UWVGGRQHSA-N 1 0 197.278 1.076 50 0 ADAARO c1csc(C[NH2+]C[C@H]2CCCO2)n1 4298835 351328311 /nfs/dbraw/zinc/32/83/11/351328311.db2.gz BJQDUWDHDLFWMO-MRVPVSSYSA-N 1 0 198.291 1.412 50 0 ADAARO CC(C)CC[C@H](C)[NH3+] 4521147 351329152 /nfs/dbraw/zinc/32/91/52/351329152.db2.gz IZCBXLKODYZSDJ-ZETCQYMHSA-N 1 0 115.220 1.770 50 0 in-vitro ADAARO C[C@@H]1[NH2+]CCC[C@H]1C 4404108 351328983 /nfs/dbraw/zinc/32/89/83/351328983.db2.gz DRLFSUDDXLQHJT-RQJHMYQMSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CCSCCSC(N)=[NH2+] 4480357 351329008 /nfs/dbraw/zinc/32/90/08/351329008.db2.gz COEIBTIIKLSTHX-UHFFFAOYSA-N 1 0 164.299 1.366 50 0 ADAARO c1ccc(COC2CC[NH2+]CC2)cc1 4503341 351329254 /nfs/dbraw/zinc/32/92/54/351329254.db2.gz ILJHWVWEYBJDDM-UHFFFAOYSA-N 1 0 191.274 1.955 50 0 in-vitro ADAARO CCOc1ccccc1C[NH2+]CCO 4670730 351330792 /nfs/dbraw/zinc/33/07/92/351330792.db2.gz KDODABKZBXHAOR-UHFFFAOYSA-N 1 0 195.262 1.167 50 0 in-vitro ADAARO O[C@@H]1CCC[N@H+](Cc2ccccn2)C1 4558908 351330569 /nfs/dbraw/zinc/33/05/69/351330569.db2.gz AQUMROUGWVRZLQ-LLVKDONJSA-N 1 0 192.262 1.038 50 0 in-vitro ADAARO C[C@@H]1Oc2ccccc2C[C@H]1[NH+](C)C 4626703 351330653 /nfs/dbraw/zinc/33/06/53/351330653.db2.gz FDJAKSHVOONYHX-GXSJLCMTSA-N 1 0 191.274 1.940 50 0 in-man ADAARO O[C@H]1CCC[N@H+](Cc2ccccn2)C1 4558906 351330701 /nfs/dbraw/zinc/33/07/01/351330701.db2.gz AQUMROUGWVRZLQ-NSHDSACASA-N 1 0 192.262 1.038 50 0 in-vitro ADAARO C[C@@H]1CC(=O)[C@H]2CCCC[C@@H]2[NH2+]1 4557745 351330906 /nfs/dbraw/zinc/33/09/06/351330906.db2.gz SEAPKWHFVCCJBB-VGMNWLOBSA-N 1 0 167.252 1.496 50 0 biogenic ADAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)OC(C)(C)C 4556529 351330961 /nfs/dbraw/zinc/33/09/61/351330961.db2.gz DRWKBZREIMLHDX-HTQZYQBOSA-N 1 0 187.283 1.702 50 0 ADAARO CC[C@@H](C)[C@H]([NH3+])C(=O)OC(C)(C)C 4556528 351330972 /nfs/dbraw/zinc/33/09/72/351330972.db2.gz DRWKBZREIMLHDX-SFYZADRCSA-N 1 0 187.283 1.702 50 0 ADAARO C[C@@H]1C[N@H+](C)C(C)(C)C[C@@H]1O 4558122 351331015 /nfs/dbraw/zinc/33/10/15/351331015.db2.gz VCTKUJRILCIKDW-SFYZADRCSA-N 1 0 157.257 1.098 50 0 ADAARO C[C@@H]1CC(=O)[C@@H]2CCCC[C@@H]2[NH2+]1 4557741 351331159 /nfs/dbraw/zinc/33/11/59/351331159.db2.gz SEAPKWHFVCCJBB-HLTSFMKQSA-N 1 0 167.252 1.496 50 0 biogenic ADAARO CCOc1ccc(C[NH2+]CCO)cc1 4670729 351331366 /nfs/dbraw/zinc/33/13/66/351331366.db2.gz WBBGDWMARWEHEY-UHFFFAOYSA-N 1 0 195.262 1.167 50 0 ADAARO C[C@@H]1C[NH2+]C(C)(C)C1 4744164 351331884 /nfs/dbraw/zinc/33/18/84/351331884.db2.gz AJMDMNYTTSGFEL-LURJTMIESA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[C@@H]1CC[N@@H+](C(C)(C)C)C[C@@H]1O 4751297 351332140 /nfs/dbraw/zinc/33/21/40/351332140.db2.gz TYIUEUAUKSQXAM-BDAKNGLRSA-N 1 0 171.284 1.488 50 0 ADAARO O[C@H]1CCC[N@H+](Cc2ccsc2)C1 4838197 351334414 /nfs/dbraw/zinc/33/44/14/351334414.db2.gz LJFCTASLJWBWFF-JTQLQIEISA-N 1 0 197.303 1.705 50 0 ADAARO c1ccc([C@H]2[NH2+]CCc3nc[nH]c32)cc1 4877299 351334573 /nfs/dbraw/zinc/33/45/73/351334573.db2.gz SHIJOLLBBCZWON-LLVKDONJSA-N 1 0 199.257 1.645 50 0 biogenic,in-vitro ADAARO O[C@@H]1CCC[N@H+](Cc2ccsc2)C1 4838198 351334599 /nfs/dbraw/zinc/33/45/99/351334599.db2.gz LJFCTASLJWBWFF-SNVBAGLBSA-N 1 0 197.303 1.705 50 0 ADAARO OCC[n+]1cccc2ccccc21 4825352 351334721 /nfs/dbraw/zinc/33/47/21/351334721.db2.gz RBLABOQYMJOPQE-UHFFFAOYSA-N 1 0 174.223 1.120 50 0 ADAARO c1ccc(-c2n[nH]c3c2C[NH2+]CC3)cc1 4945686 351335574 /nfs/dbraw/zinc/33/55/74/351335574.db2.gz TZFHJMGEXWVRKQ-UHFFFAOYSA-N 1 0 199.257 1.722 50 0 in-vitro ADAARO O[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 4988714 351336541 /nfs/dbraw/zinc/33/65/41/351336541.db2.gz LFAHAZYKDALXSI-NWDGAFQWSA-N 1 0 195.306 1.799 50 0 ADAARO c1ccc(OCC2CC[NH2+]CC2)nc1 4973432 351336607 /nfs/dbraw/zinc/33/66/07/351336607.db2.gz GYZJAGRJFIGSIS-UHFFFAOYSA-N 1 0 192.262 1.460 50 0 ADAARO O[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 4988711 351336720 /nfs/dbraw/zinc/33/67/20/351336720.db2.gz LFAHAZYKDALXSI-RYUDHWBXSA-N 1 0 195.306 1.799 50 0 ADAARO CCP(=O)(CC)CSC(N)=[NH2+] 4991413 351336917 /nfs/dbraw/zinc/33/69/17/351336917.db2.gz AQGGDNJYJCEZGL-UHFFFAOYSA-N 1 0 194.240 1.973 50 0 ADAARO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](CO)C2)C1 5092897 351337597 /nfs/dbraw/zinc/33/75/97/351337597.db2.gz HHZLAGZIXNRKKI-WOPDTQHZSA-N 1 0 197.322 1.879 50 0 ADAARO C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](CO)C2)C1 5092903 351337939 /nfs/dbraw/zinc/33/79/39/351337939.db2.gz HHZLAGZIXNRKKI-GRYCIOLGSA-N 1 0 197.322 1.879 50 0 ADAARO Cc1ccc2c(c1)[nH+]c(N)n2C 5116292 351338400 /nfs/dbraw/zinc/33/84/00/351338400.db2.gz VJDQEQWPZTVEIN-UHFFFAOYSA-N 1 0 161.208 1.464 50 0 in-vitro ADAARO C[NH+](C)C[C@H]1CCCCCC1=O 5119320 351338520 /nfs/dbraw/zinc/33/85/20/351338520.db2.gz YPFNKXNACFGYHG-SECBINFHSA-N 1 0 169.268 1.697 50 0 ADAARO CNC(=[NH2+])c1ccccc1 5132976 351338976 /nfs/dbraw/zinc/33/89/76/351338976.db2.gz IVDNVUABSBYLCK-UHFFFAOYSA-N 1 0 134.182 1.231 50 0 in-vitro ADAARO O[C@H]1CCCC[C@H]1[NH+]1CCCCC1 5133807 351340001 /nfs/dbraw/zinc/34/00/01/351340001.db2.gz UXCABTUQGBBPPF-MNOVXSKESA-N 1 0 183.295 1.776 50 0 in-vitro ADAARO OCC[NH2+]C1C2CC3CC(C2)CC1C3 5188034 351340494 /nfs/dbraw/zinc/34/04/94/351340494.db2.gz QWEHXCRULFHITF-UHFFFAOYSA-N 1 0 195.306 1.393 50 0 in-vitro ADAARO CCOc1ccc(C[C@@H](C)[NH3+])cc1 5234408 351341246 /nfs/dbraw/zinc/34/12/46/351341246.db2.gz CCAMEVFYMFXHEN-SECBINFHSA-N 1 0 179.263 1.975 50 0 in-vivo ADAARO c1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1 5279843 351341291 /nfs/dbraw/zinc/34/12/91/351341291.db2.gz SHIJOLLBBCZWON-NSHDSACASA-N 1 0 199.257 1.645 50 0 biogenic,in-vitro ADAARO CC(C)C1CC[NH2+]CC1 5359912 351342754 /nfs/dbraw/zinc/34/27/54/351342754.db2.gz YBPWIUSXQXYTSR-UHFFFAOYSA-N 1 0 127.231 1.642 50 0 in-vitro ADAARO CN1C2=[NH+]CCN2c2cc(O)ccc21 5393791 351343461 /nfs/dbraw/zinc/34/34/61/351343461.db2.gz WXCBHGMNIXGCIR-UHFFFAOYSA-N 1 0 189.218 1.018 50 0 ADAARO CC(C)([NH3+])Cc1ccc(O)cc1 5440114 351344567 /nfs/dbraw/zinc/34/45/67/351344567.db2.gz DQFAEBUKXCRWHR-UHFFFAOYSA-N 1 0 165.236 1.672 50 0 in-vitro ADAARO O[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 5562171 351345608 /nfs/dbraw/zinc/34/56/08/351345608.db2.gz LFAHAZYKDALXSI-NEPJUHHUSA-N 1 0 195.306 1.799 50 0 ADAARO CC(C)C[NH2+]Cc1ccncc1 5817306 351347246 /nfs/dbraw/zinc/34/72/46/351347246.db2.gz JFINAHAVXGIORL-UHFFFAOYSA-N 1 0 164.252 1.827 50 0 ADAARO CC[C@@H](C)[NH2+]Cc1ccncc1 5823178 351347391 /nfs/dbraw/zinc/34/73/91/351347391.db2.gz CPSUFMPNNGXEMJ-SECBINFHSA-N 1 0 164.252 1.970 50 0 in-vitro ADAARO CC[C@@H](C)[NH2+]Cc1cccnc1 5823176 351347762 /nfs/dbraw/zinc/34/77/62/351347762.db2.gz VPTLWUJKNPIUIP-SECBINFHSA-N 1 0 164.252 1.970 50 0 in-vitro ADAARO CC[C@@H](C)[NH2+]C 5922267 351348408 /nfs/dbraw/zinc/34/84/08/351348408.db2.gz PYFSCIWXNSXGNS-RXMQYKEDSA-N 1 0 87.166 1.004 50 0 in-vitro ADAARO C[C@@H]1CCC[C@@H]([NH3+])C1 6030908 351348738 /nfs/dbraw/zinc/34/87/38/351348738.db2.gz JYDYHSHPBDZRPU-RNFRBKRXSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO C[C@@H]1CCC[C@H]([NH3+])C1 6030879 351348781 /nfs/dbraw/zinc/34/87/81/351348781.db2.gz JYDYHSHPBDZRPU-RQJHMYQMSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO CCOc1ccc([C@@H]([NH3+])CCO)cc1 6048237 351349109 /nfs/dbraw/zinc/34/91/09/351349109.db2.gz IZBNPXYEYWHXKS-NSHDSACASA-N 1 0 195.262 1.468 50 0 ADAARO C[C@@H]1C[C@@H]([NH3+])C(=O)N1c1ccccc1 6031461 351349164 /nfs/dbraw/zinc/34/91/64/351349164.db2.gz XGXDBLPZUSKNSA-PSASIEDQSA-N 1 0 190.246 1.139 50 0 in-vitro ADAARO C[C@@H]1C[C@H]([NH3+])C(=O)N1c1ccccc1 6031320 351349194 /nfs/dbraw/zinc/34/91/94/351349194.db2.gz XGXDBLPZUSKNSA-SCZZXKLOSA-N 1 0 190.246 1.139 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]C[C@@H](C)S1 6031251 351349237 /nfs/dbraw/zinc/34/92/37/351349237.db2.gz HEFKKYCXFOTNTB-PHDIDXHHSA-N 1 0 131.244 1.100 50 0 in-vitro ADAARO C[C@@H]1CCC[C@@H](C)C1[NH3+] 6030914 351349456 /nfs/dbraw/zinc/34/94/56/351349456.db2.gz KSGAAWJLYHYMLT-RNFRBKRXSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO c1ccc(C[C@H]2C[NH2+]CCO2)cc1 6096626 351349936 /nfs/dbraw/zinc/34/99/36/351349936.db2.gz YZFCMGWCEXUGFX-NSHDSACASA-N 1 0 177.247 1.218 50 0 in-vitro ADAARO c1ccc(C[C@@H]2C[NH2+]2)cc1 6096561 351349969 /nfs/dbraw/zinc/34/99/69/351349969.db2.gz LKQAJXTWYDNYHK-SECBINFHSA-N 1 0 133.194 1.201 50 0 ADAARO c1ccc(C[C@@H]2C[NH2+]CCO2)cc1 6096562 351350078 /nfs/dbraw/zinc/35/00/78/351350078.db2.gz YZFCMGWCEXUGFX-LLVKDONJSA-N 1 0 177.247 1.218 50 0 in-vitro ADAARO c1ccc(C[C@H]2C[NH2+]2)cc1 6096624 351350359 /nfs/dbraw/zinc/35/03/59/351350359.db2.gz LKQAJXTWYDNYHK-VIFPVBQESA-N 1 0 133.194 1.201 50 0 in-vitro ADAARO CC(C)CO[C@@H]1CCC[NH2+]C1 6255913 351350900 /nfs/dbraw/zinc/35/09/00/351350900.db2.gz USDIAPRBFLTNAM-SECBINFHSA-N 1 0 157.257 1.411 50 0 ADAARO c1ccc(C[C@H]2COCC[NH2+]2)cc1 6252268 351351188 /nfs/dbraw/zinc/35/11/88/351351188.db2.gz LSXCLMMIDIVSFG-NSHDSACASA-N 1 0 177.247 1.218 50 0 in-vitro ADAARO c1cc(C[C@H]2CCC[NH2+]2)ccn1 6616714 351352025 /nfs/dbraw/zinc/35/20/25/351352025.db2.gz QSMXCWKRNZUQIU-SNVBAGLBSA-N 1 0 162.236 1.376 50 0 ADAARO CCSc1nnc([C@@H]2CCC[NH2+]2)o1 6488976 351352393 /nfs/dbraw/zinc/35/23/93/351352393.db2.gz QWLJUVYWNKEECE-LURJTMIESA-N 1 0 199.279 1.606 50 0 ADAARO c1cc(C[C@@H]2CCC[NH2+]2)ccn1 6616713 351352598 /nfs/dbraw/zinc/35/25/98/351352598.db2.gz QSMXCWKRNZUQIU-JTQLQIEISA-N 1 0 162.236 1.376 50 0 ADAARO O[C@H](c1ccccc1)C1CC[NH2+]CC1 6575709 351352858 /nfs/dbraw/zinc/35/28/58/351352858.db2.gz DUZLYYVHAOTWSF-GFCCVEGCSA-N 1 0 191.274 1.720 50 0 in-vitro ADAARO c1ccc(OC2CC[NH2+]CC2)nc1 6616681 351352957 /nfs/dbraw/zinc/35/29/57/351352957.db2.gz XORIOVHPKOZEMR-UHFFFAOYSA-N 1 0 178.235 1.212 50 0 in-vitro ADAARO CC(C)C[NH2+]Cc1ccccn1 6858908 351353514 /nfs/dbraw/zinc/35/35/14/351353514.db2.gz CBSNWEWHYJBTFH-UHFFFAOYSA-N 1 0 164.252 1.827 50 0 in-vitro ADAARO CC(C)C(=O)NCC[NH+]1CCCCC1 6693134 351353688 /nfs/dbraw/zinc/35/36/88/351353688.db2.gz XEYBLSNXGXNWRK-UHFFFAOYSA-N 1 0 198.310 1.245 50 0 ADAARO CCOc1cc(C[NH3+])ccc1OC 6679773 351354089 /nfs/dbraw/zinc/35/40/89/351354089.db2.gz SEMVGKZMRJJWLJ-UHFFFAOYSA-N 1 0 181.235 1.553 50 0 in-vitro ADAARO CCOc1ccc([C@H]([NH3+])CO)cc1 6658348 351354174 /nfs/dbraw/zinc/35/41/74/351354174.db2.gz LKPQDUDJZDZRJS-SNVBAGLBSA-N 1 0 181.235 1.077 50 0 in-vitro ADAARO CCOc1ccc([C@@H]([NH3+])CO)cc1 6658349 351354275 /nfs/dbraw/zinc/35/42/75/351354275.db2.gz LKPQDUDJZDZRJS-JTQLQIEISA-N 1 0 181.235 1.077 50 0 in-vitro ADAARO CC[C@@H](C)[NH2+]Cc1ccccn1 6870711 351354843 /nfs/dbraw/zinc/35/48/43/351354843.db2.gz HVLQDTDDFBCFDC-SECBINFHSA-N 1 0 164.252 1.970 50 0 in-vitro ADAARO CCOc1cccc(C[NH2+]C)c1 8325184 351354850 /nfs/dbraw/zinc/35/48/50/351354850.db2.gz DRWAPJMNVGBJDD-UHFFFAOYSA-N 1 0 165.236 1.805 50 0 in-vitro ADAARO CCOc1c(C[NH2+]C)cccc1OC 8253451 351354882 /nfs/dbraw/zinc/35/48/82/351354882.db2.gz SXIYABYASXZLFY-UHFFFAOYSA-N 1 0 195.262 1.813 50 0 in-vitro ADAARO CCOc1cccc(C[NH2+]CCO)c1 8325226 351354895 /nfs/dbraw/zinc/35/48/95/351354895.db2.gz VTMUKQGLBGZEHN-UHFFFAOYSA-N 1 0 195.262 1.167 50 0 in-vitro ADAARO c1coc(C[NH2+]C2CC2)c1 7519611 351355130 /nfs/dbraw/zinc/35/51/30/351355130.db2.gz QDPDMHNZROESOW-UHFFFAOYSA-N 1 0 137.182 1.532 50 0 ADAARO CCOc1cc(C[NH2+]C)ccc1OC 8254326 351355473 /nfs/dbraw/zinc/35/54/73/351355473.db2.gz SVYAPZZAANWWGB-UHFFFAOYSA-N 1 0 195.262 1.813 50 0 in-vitro ADAARO c1ccc(C[NH2+]Cc2ccncc2)nc1 8436762 351356113 /nfs/dbraw/zinc/35/61/13/351356113.db2.gz AZFSEYMWJVJVRY-UHFFFAOYSA-N 1 0 199.257 1.766 50 0 ADAARO CC(C)([NH3+])Cc1ccccc1 8403947 351356369 /nfs/dbraw/zinc/35/63/69/351356369.db2.gz DHHVAGZRUROJKS-UHFFFAOYSA-N 1 0 149.237 1.966 50 0 fda ADAARO c1cc(NCC2CC2)cc[nH+]1 8699353 351357137 /nfs/dbraw/zinc/35/71/37/351357137.db2.gz UOKWSTGIEPRIIN-UHFFFAOYSA-N 1 0 148.209 1.904 50 0 ADAARO CCOc1ccccc1CCC[NH3+] 9245908 351358189 /nfs/dbraw/zinc/35/81/89/351358189.db2.gz ITVNSLFHPCLQQF-UHFFFAOYSA-N 1 0 179.263 1.977 50 0 in-vitro ADAARO c1cc2c(cc1C[NH2+]C1CC1)OCO2 9225034 351358438 /nfs/dbraw/zinc/35/84/38/351358438.db2.gz HROUFMHZMXWOHI-UHFFFAOYSA-N 1 0 191.230 1.667 50 0 ADAARO c1nc2c([nH]1)C1(CCCCC1)[NH2+]CC2 8791935 351358551 /nfs/dbraw/zinc/35/85/51/351358551.db2.gz XKIAHMSAUTZOBQ-UHFFFAOYSA-N 1 0 191.278 1.715 50 0 biogenic,in-vitro ADAARO C[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@@H]12 11027587 351359407 /nfs/dbraw/zinc/35/94/07/351359407.db2.gz LVDLOGDWSPRQQJ-LPEHRKFASA-N 1 0 169.268 1.290 50 0 ADAARO CCOc1ccc(CCC[NH3+])cc1 11596889 351359578 /nfs/dbraw/zinc/35/95/78/351359578.db2.gz PKQQIAMKRBRFPQ-UHFFFAOYSA-N 1 0 179.263 1.977 50 0 in-vitro ADAARO c1csc([C@H]2CCC[NH2+]C2)n1 11632015 351359648 /nfs/dbraw/zinc/35/96/48/351359648.db2.gz JWDOZKWLXFFMAK-ZETCQYMHSA-N 1 0 168.265 1.610 50 0 in-vitro ADAARO c1ccc(OC[C@@H]2C[NH2+]CCO2)cc1 11587384 351359704 /nfs/dbraw/zinc/35/97/04/351359704.db2.gz OFBLNBCFCXAZGW-NSHDSACASA-N 1 0 193.246 1.054 50 0 in-vitro ADAARO O[C@H](c1cccs1)C1CC[NH2+]CC1 11630769 351359843 /nfs/dbraw/zinc/35/98/43/351359843.db2.gz GBVBWWGQKWSZTG-JTQLQIEISA-N 1 0 197.303 1.781 50 0 in-vitro ADAARO C[C@@]1(C[NH3+])COc2ccccc2O1 11568431 351359917 /nfs/dbraw/zinc/35/99/17/351359917.db2.gz WLYCDJUUOAIBNZ-SNVBAGLBSA-N 1 0 179.219 1.175 50 0 in-vitro ADAARO O[C@@H](c1cccs1)C1CC[NH2+]CC1 11630770 351359923 /nfs/dbraw/zinc/35/99/23/351359923.db2.gz GBVBWWGQKWSZTG-SNVBAGLBSA-N 1 0 197.303 1.781 50 0 in-vitro ADAARO c1ccc(OC[C@H]2C[NH2+]CCO2)cc1 11587383 351359943 /nfs/dbraw/zinc/35/99/43/351359943.db2.gz OFBLNBCFCXAZGW-LLVKDONJSA-N 1 0 193.246 1.054 50 0 in-vitro ADAARO CCOc1ccccc1OCCC[NH3+] 11569611 351359973 /nfs/dbraw/zinc/35/99/73/351359973.db2.gz ZBABTQBPJJKKRR-UHFFFAOYSA-N 1 0 195.262 1.813 50 0 ADAARO C[C@@H]1CCc2nc(C[NH3+])sc2C1 11631695 351359982 /nfs/dbraw/zinc/35/99/82/351359982.db2.gz BQHQALLUQDVGFA-ZCFIWIBFSA-N 1 0 182.292 1.727 50 0 ADAARO OCC[NH2+]CC1CCCCC1 10473837 351360052 /nfs/dbraw/zinc/36/00/52/351360052.db2.gz SQKRYXOXPZBAGK-UHFFFAOYSA-N 1 0 157.257 1.149 50 0 in-vitro ADAARO OC[C@H]1CCC[N@@H+]1Cc1cccs1 11727369 351360609 /nfs/dbraw/zinc/36/06/09/351360609.db2.gz TWLUJHMOCFRJRG-SECBINFHSA-N 1 0 197.303 1.705 50 0 ADAARO c1csc([C@H]2C[NH2+]CCO2)c1 11802993 351360774 /nfs/dbraw/zinc/36/07/74/351360774.db2.gz PBAULEGLRQCXKD-SSDOTTSWSA-N 1 0 169.249 1.409 50 0 in-vitro ADAARO C[C@@](O)(C[NH3+])c1ccc(Cl)cc1 11803530 351360852 /nfs/dbraw/zinc/36/08/52/351360852.db2.gz HQYNVCFWWOMLMF-SECBINFHSA-N 1 0 185.654 1.506 50 0 in-vitro ADAARO C[C@@H]1[NH2+]CCOc2ccccc21 11802714 351360988 /nfs/dbraw/zinc/36/09/88/351360988.db2.gz BDMKKDLAKZPRIO-QMMMGPOBSA-N 1 0 163.220 1.730 50 0 in-vitro ADAARO CCOc1ccc2c(c1)[C@H]([NH3+])CCO2 11849026 351361005 /nfs/dbraw/zinc/36/10/05/351361005.db2.gz CPMDPSPSNQSOQS-SNVBAGLBSA-N 1 0 193.246 1.868 50 0 in-vitro ADAARO OC[C@@H]1CCC[N@@H+]1Cc1cccs1 11727368 351361024 /nfs/dbraw/zinc/36/10/24/351361024.db2.gz TWLUJHMOCFRJRG-VIFPVBQESA-N 1 0 197.303 1.705 50 0 ADAARO c1ccc2c(c1)C[NH2+]CCO2 11802711 351361034 /nfs/dbraw/zinc/36/10/34/351361034.db2.gz HDVHFHONOKCUHQ-UHFFFAOYSA-N 1 0 149.193 1.169 50 0 in-vivo ADAARO CCOc1ccc2c(c1)[C@@H]([NH3+])CCO2 11849027 351361046 /nfs/dbraw/zinc/36/10/46/351361046.db2.gz CPMDPSPSNQSOQS-JTQLQIEISA-N 1 0 193.246 1.868 50 0 in-vitro ADAARO CCOc1ccccc1[C@H](O)C[NH3+] 11802879 351361078 /nfs/dbraw/zinc/36/10/78/351361078.db2.gz NFSYVZYMBCQDHE-SECBINFHSA-N 1 0 181.235 1.077 50 0 ADAARO CCOc1ccccc1[C@@H](O)C[NH3+] 11802878 351361117 /nfs/dbraw/zinc/36/11/17/351361117.db2.gz NFSYVZYMBCQDHE-VIFPVBQESA-N 1 0 181.235 1.077 50 0 ADAARO CCOc1ccc([C@H](O)C[NH3+])cc1 11802887 351361147 /nfs/dbraw/zinc/36/11/47/351361147.db2.gz CHDLMWOYJNKNBB-SNVBAGLBSA-N 1 0 181.235 1.077 50 0 ADAARO c1csc([C@@H]2C[NH2+]CCO2)c1 11802995 351361178 /nfs/dbraw/zinc/36/11/78/351361178.db2.gz PBAULEGLRQCXKD-ZETCQYMHSA-N 1 0 169.249 1.409 50 0 in-vitro ADAARO c1ccc([C@H]2COCC[NH2+]2)cc1 11803294 351361195 /nfs/dbraw/zinc/36/11/95/351361195.db2.gz MHZXKVPCJBPNKI-SNVBAGLBSA-N 1 0 163.220 1.348 50 0 in-vitro ADAARO CCOc1ccc([C@@H](O)C[NH3+])cc1 11802885 351361297 /nfs/dbraw/zinc/36/12/97/351361297.db2.gz CHDLMWOYJNKNBB-JTQLQIEISA-N 1 0 181.235 1.077 50 0 ADAARO OC[C@@H]1CCC[N@@H+]1Cc1ccco1 11727366 351361354 /nfs/dbraw/zinc/36/13/54/351361354.db2.gz AJMRZGKANCNDIY-VIFPVBQESA-N 1 0 181.235 1.236 50 0 in-vitro ADAARO OC[C@@H]1CC[N@@H+](C2CCCCC2)C1 11892503 351361706 /nfs/dbraw/zinc/36/17/06/351361706.db2.gz UQWOCKWHWBXITR-SNVBAGLBSA-N 1 0 183.295 1.633 50 0 in-vitro ADAARO c1csc(C[C@H]2CCC[NH2+]C2)n1 11884086 351361719 /nfs/dbraw/zinc/36/17/19/351361719.db2.gz OVWNJEPOYONWQI-MRVPVSSYSA-N 1 0 182.292 1.685 50 0 ADAARO OC[C@H]1CC[N@@H+](C2CCCC2)C1 11892501 351361909 /nfs/dbraw/zinc/36/19/09/351361909.db2.gz FJFRWUWFQYXXNP-VIFPVBQESA-N 1 0 169.268 1.243 50 0 in-vitro ADAARO OC[C@H]1CC[N@@H+](C2CCCCC2)C1 11892507 351362204 /nfs/dbraw/zinc/36/22/04/351362204.db2.gz UQWOCKWHWBXITR-JTQLQIEISA-N 1 0 183.295 1.633 50 0 in-vitro ADAARO OC[C@@H]1CC[N@@H+](C2CCCC2)C1 11892497 351362338 /nfs/dbraw/zinc/36/23/38/351362338.db2.gz FJFRWUWFQYXXNP-SECBINFHSA-N 1 0 169.268 1.243 50 0 in-vitro ADAARO C[C@@](C[NH3+])(CO)Cc1cccs1 11978649 351362913 /nfs/dbraw/zinc/36/29/13/351362913.db2.gz UHXULCRYLGXENR-SECBINFHSA-N 1 0 185.292 1.248 50 0 in-vitro ADAARO CC(C)C[C@H]([NH3+])C(=O)N1CCCCC1 11960886 351362996 /nfs/dbraw/zinc/36/29/96/351362996.db2.gz GJOOEAPBOIFBID-JTQLQIEISA-N 1 0 198.310 1.372 50 0 ADAARO OCCC[NH+]1CCCCCC1 12343549 351363043 /nfs/dbraw/zinc/36/30/43/351363043.db2.gz KXFQCMKAQXWNSL-UHFFFAOYSA-N 1 0 157.257 1.245 50 0 in-vitro ADAARO CC(C)CC[NH+]1CCC(=O)CC1 12336776 351363105 /nfs/dbraw/zinc/36/31/05/351363105.db2.gz CYAPBSDGKXPORX-UHFFFAOYSA-N 1 0 169.268 1.697 50 0 in-vitro ADAARO O[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 12113296 351363311 /nfs/dbraw/zinc/36/33/11/351363311.db2.gz KPIUNMRQJGMTGZ-WDEREUQCSA-N 1 0 177.247 1.124 50 0 in-vitro ADAARO c1ccn2c[nH+]cc2c1 12357125 351363329 /nfs/dbraw/zinc/36/33/29/351363329.db2.gz JMANUKZDKDKBJP-UHFFFAOYSA-N 1 0 118.139 1.334 50 0 in-vitro ADAARO CC(C)COC[C@@H]1CCC[NH2+]C1 12137809 351363447 /nfs/dbraw/zinc/36/34/47/351363447.db2.gz OZCMIRATZYJKMJ-SNVBAGLBSA-N 1 0 171.284 1.659 50 0 in-vitro ADAARO OCC[NH2+]C1CCCCCC1 12357201 351363506 /nfs/dbraw/zinc/36/35/06/351363506.db2.gz HXHFHWJLNHBJDK-UHFFFAOYSA-N 1 0 157.257 1.291 50 0 in-vitro ADAARO CC(C)COC[C@H]1CCC[NH2+]C1 12137810 351363609 /nfs/dbraw/zinc/36/36/09/351363609.db2.gz OZCMIRATZYJKMJ-JTQLQIEISA-N 1 0 171.284 1.659 50 0 in-vitro ADAARO c1ccn(CC2CC[NH2+]CC2)c1 11979993 351363673 /nfs/dbraw/zinc/36/36/73/351363673.db2.gz KDKCBSOKQNGPLP-UHFFFAOYSA-N 1 0 164.252 1.488 50 0 in-vitro ADAARO OCc1ccc(C[NH+]2CCCC2)cc1 12370522 351364138 /nfs/dbraw/zinc/36/41/38/351364138.db2.gz WIPREEQTVNYVRJ-UHFFFAOYSA-N 1 0 191.274 1.775 50 0 in-vitro ADAARO CC(C)CC(=O)NC1CC[NH+](C)CC1 12382091 351364266 /nfs/dbraw/zinc/36/42/66/351364266.db2.gz MEGGVJFPZUNZRV-UHFFFAOYSA-N 1 0 198.310 1.243 50 0 ADAARO OCC1CC[NH+](Cc2ccco2)CC1 12370836 351364283 /nfs/dbraw/zinc/36/42/83/351364283.db2.gz YBANPRCPQURNFY-UHFFFAOYSA-N 1 0 195.262 1.484 50 0 in-vitro ADAARO CC(C)C[N@@H+]1CCC[C@H](CO)C1 12382264 351364303 /nfs/dbraw/zinc/36/43/03/351364303.db2.gz YHWDFDPQFYHWRK-JTQLQIEISA-N 1 0 171.284 1.347 50 0 in-vitro ADAARO c1ccc(CO[C@@H]2CC[NH2+]C2)cc1 12359702 351364346 /nfs/dbraw/zinc/36/43/46/351364346.db2.gz CWBMYKUPMLRKQK-LLVKDONJSA-N 1 0 177.247 1.565 50 0 in-vitro ADAARO CC(C)C[C@@H](O)C1CC[NH2+]CC1 12382169 351364557 /nfs/dbraw/zinc/36/45/57/351364557.db2.gz HGFKBMNAAHURFG-SNVBAGLBSA-N 1 0 171.284 1.393 50 0 in-vitro ADAARO CC(C)C[C@@]1(CO)CCC[NH2+]C1 12382176 351364730 /nfs/dbraw/zinc/36/47/30/351364730.db2.gz IJCZQIJVTYCOKQ-JTQLQIEISA-N 1 0 171.284 1.395 50 0 in-vitro ADAARO CC(C)C[C@]1(CO)CCC[NH2+]C1 12382175 351364735 /nfs/dbraw/zinc/36/47/35/351364735.db2.gz IJCZQIJVTYCOKQ-SNVBAGLBSA-N 1 0 171.284 1.395 50 0 in-vitro ADAARO c1ccc(CO[C@H]2CC[NH2+]C2)cc1 12376518 351364738 /nfs/dbraw/zinc/36/47/38/351364738.db2.gz CWBMYKUPMLRKQK-NSHDSACASA-N 1 0 177.247 1.565 50 0 in-vitro ADAARO c1cc2c(s1)C[NH2+]CC2 12404743 351365438 /nfs/dbraw/zinc/36/54/38/351365438.db2.gz HXNOEHIMWZDRTK-UHFFFAOYSA-N 1 0 139.223 1.394 50 0 in-vitro ADAARO CC(C)C(=O)Nc1ccc(C[NH3+])cc1 12481056 351365481 /nfs/dbraw/zinc/36/54/81/351365481.db2.gz AFYFHAHVKBQZOZ-UHFFFAOYSA-N 1 0 192.262 1.740 50 0 in-vitro ADAARO C[C@@H]1CCC[C@@H](C)N1C(N)=[NH2+] 12504937 351366390 /nfs/dbraw/zinc/36/63/90/351366390.db2.gz RZEBWKXHTOCTKQ-RNFRBKRXSA-N 1 0 155.245 1.143 50 0 ADAARO C[C@@H]1[NH2+]CCn2c(Cl)ccc21 12505601 351366412 /nfs/dbraw/zinc/36/64/12/351366412.db2.gz XXVWOUMHIVZHED-LURJTMIESA-N 1 0 170.643 1.806 50 0 ADAARO Oc1ccc2c(c1)CC[NH2+]CC2 12506066 351366687 /nfs/dbraw/zinc/36/66/87/351366687.db2.gz MHMRQHMKGYLQKH-UHFFFAOYSA-N 1 0 163.220 1.080 50 0 ADAARO CC(C)C[NH2+]C(C)C 12948265 351366700 /nfs/dbraw/zinc/36/67/00/351366700.db2.gz PHQYHKHLCPPXKT-UHFFFAOYSA-N 1 0 115.220 1.640 50 0 in-vitro ADAARO c1cc([C@H]2CC[NH2+]C2)ccn1 12955029 351367611 /nfs/dbraw/zinc/36/76/11/351367611.db2.gz HWJSDKNFWQDVIG-VIFPVBQESA-N 1 0 148.209 1.159 50 0 in-vitro ADAARO c1ccc2c(c1)CCC[NH2+]C2 13516868 351369731 /nfs/dbraw/zinc/36/97/31/351369731.db2.gz SIQBPWRTJNBBER-UHFFFAOYSA-N 1 0 147.221 1.722 50 0 in-vivo ADAARO c1nc(CCCC2CC[NH2+]CC2)c[nH]1 13530263 351369750 /nfs/dbraw/zinc/36/97/50/351369750.db2.gz YPGRNKJNOSUCLY-UHFFFAOYSA-N 1 0 193.294 1.732 50 0 in-vitro ADAARO O=c1ccc([C@@H]2CCCC[NH2+]2)c[nH]1 13543068 351370240 /nfs/dbraw/zinc/37/02/40/351370240.db2.gz QNDORELUHPRNQW-VIFPVBQESA-N 1 0 178.235 1.602 50 0 ADAARO c1ccc2c(c1)cc1n2CC[NH2+]C1 13586839 351371548 /nfs/dbraw/zinc/37/15/48/351371548.db2.gz AEIDURNZWCNQIM-UHFFFAOYSA-N 1 0 172.231 1.745 50 0 in-vivo ADAARO c1cncc(O[C@H]2CCC[NH2+]C2)c1 13704010 351371638 /nfs/dbraw/zinc/37/16/38/351371638.db2.gz GHJPZQCAVQYABA-JTQLQIEISA-N 1 0 178.235 1.212 50 0 in-vitro ADAARO c1ccc2c(c1)C[NH2+]CCS2 13757904 351372297 /nfs/dbraw/zinc/37/22/97/351372297.db2.gz SUBDEKBXSIKCSA-UHFFFAOYSA-N 1 0 165.261 1.882 50 0 in-vivo ADAARO OCC[NH2+]C/C=C/c1ccccc1 13943017 351372367 /nfs/dbraw/zinc/37/23/67/351372367.db2.gz SKTUNMLBMMTJHS-QPJJXVBHSA-N 1 0 177.247 1.282 50 0 in-vitro ADAARO c1ccc([C@H]2CC[NH2+]C2)nc1 14008080 351372770 /nfs/dbraw/zinc/37/27/70/351372770.db2.gz STXABSODTGKUAK-QMMMGPOBSA-N 1 0 148.209 1.159 50 0 in-vitro ADAARO c1ccc(O[C@H]2CC[NH2+]C2)cc1 14632081 351374353 /nfs/dbraw/zinc/37/43/53/351374353.db2.gz SKHPQIQATRHESG-JTQLQIEISA-N 1 0 163.220 1.427 50 0 in-vitro ADAARO c1ccc(CO[C@@H]2CCC[NH2+]C2)cc1 14631576 351374409 /nfs/dbraw/zinc/37/44/09/351374409.db2.gz VOVVHNIABAJHJZ-GFCCVEGCSA-N 1 0 191.274 1.955 50 0 in-vitro ADAARO CC(C)CCO[C@@H]1CC[NH2+]C1 14632009 351374445 /nfs/dbraw/zinc/37/44/45/351374445.db2.gz RPPGMZVKEWPDGB-SECBINFHSA-N 1 0 157.257 1.411 50 0 ADAARO c1ccc(OC[C@H]2CC[NH2+]C2)cc1 14632414 351374644 /nfs/dbraw/zinc/37/46/44/351374644.db2.gz SFQSAOHZCPJACU-JTQLQIEISA-N 1 0 177.247 1.675 50 0 in-vitro ADAARO CC(C)=CCO[C@H]1CCC[NH2+]C1 14631557 351374652 /nfs/dbraw/zinc/37/46/52/351374652.db2.gz XAYMLCHNVLMGEQ-JTQLQIEISA-N 1 0 169.268 1.721 50 0 ADAARO CC(C)CCOC1CC[NH2+]CC1 14631872 351374756 /nfs/dbraw/zinc/37/47/56/351374756.db2.gz HDGNPCZXESPYLE-UHFFFAOYSA-N 1 0 171.284 1.801 50 0 in-vitro ADAARO c1ccc(CO[C@H]2CCC[NH2+]C2)cc1 14631575 351374765 /nfs/dbraw/zinc/37/47/65/351374765.db2.gz VOVVHNIABAJHJZ-LBPRGKRZSA-N 1 0 191.274 1.955 50 0 in-vitro ADAARO c1ccc(COC[C@@H]2CC[NH2+]C2)cc1 14632407 351374790 /nfs/dbraw/zinc/37/47/90/351374790.db2.gz RFOAPIACLKWTAY-GFCCVEGCSA-N 1 0 191.274 1.813 50 0 in-vitro ADAARO c1ccc(COC[C@H]2CC[NH2+]C2)cc1 14632408 351374914 /nfs/dbraw/zinc/37/49/14/351374914.db2.gz RFOAPIACLKWTAY-LBPRGKRZSA-N 1 0 191.274 1.813 50 0 in-vitro ADAARO c1cncc(OC[C@H]2CCC[NH2+]C2)c1 14631310 351374920 /nfs/dbraw/zinc/37/49/20/351374920.db2.gz QNXJEYATOQEFBE-JTQLQIEISA-N 1 0 192.262 1.460 50 0 in-vitro ADAARO c1ccc(O[C@@H]2CC[NH2+]C2)cc1 14632079 351374966 /nfs/dbraw/zinc/37/49/66/351374966.db2.gz SKHPQIQATRHESG-SNVBAGLBSA-N 1 0 163.220 1.427 50 0 in-vitro ADAARO CC(C)=CCOC[C@H]1CCC[NH2+]C1 14631079 351374983 /nfs/dbraw/zinc/37/49/83/351374983.db2.gz QVQGPOULROKLFZ-NSHDSACASA-N 1 0 183.295 1.969 50 0 in-vitro ADAARO [NH3+]Cc1ccc2nccnc2c1 14628730 351375023 /nfs/dbraw/zinc/37/50/23/351375023.db2.gz LNYPHLYYOBNSPF-UHFFFAOYSA-N 1 0 159.192 1.089 50 0 in-vitro ADAARO CC(C)=CCOC1CC[NH2+]CC1 14631868 351375158 /nfs/dbraw/zinc/37/51/58/351375158.db2.gz XCSQLWCUDMIYNT-UHFFFAOYSA-N 1 0 169.268 1.721 50 0 in-vitro ADAARO CC(C)COCC1CC[NH2+]CC1 14628633 351375175 /nfs/dbraw/zinc/37/51/75/351375175.db2.gz FUJUEGHFNHCTIJ-UHFFFAOYSA-N 1 0 171.284 1.659 50 0 in-vitro ADAARO CC(C)=CCOCC1CC[NH2+]CC1 14631384 351375212 /nfs/dbraw/zinc/37/52/12/351375212.db2.gz GFPJHXLDIMLWJU-UHFFFAOYSA-N 1 0 183.295 1.969 50 0 ADAARO CC(C)COC1CC[NH2+]CC1 14806929 351375964 /nfs/dbraw/zinc/37/59/64/351375964.db2.gz VQCDOLZOAYIDQJ-UHFFFAOYSA-N 1 0 157.257 1.411 50 0 in-vitro ADAARO c1cc(O[C@@H]2CCC[NH2+]C2)ccn1 15020880 351376631 /nfs/dbraw/zinc/37/66/31/351376631.db2.gz SMRSTPFSSZRHHP-SNVBAGLBSA-N 1 0 178.235 1.212 50 0 in-vitro ADAARO c1cncc([C@H]2CSCC[NH2+]2)c1 15020704 351376904 /nfs/dbraw/zinc/37/69/04/351376904.db2.gz VMUCLRLJLVBTPL-SECBINFHSA-N 1 0 180.276 1.459 50 0 in-vitro ADAARO c1ccc(O[C@@H]2CCC[NH2+]C2)nc1 15020876 351376936 /nfs/dbraw/zinc/37/69/36/351376936.db2.gz SVZFUIWKOIHVGL-SECBINFHSA-N 1 0 178.235 1.212 50 0 ADAARO c1cncc([C@H]2CC[NH2+]C2)c1 15020646 351377167 /nfs/dbraw/zinc/37/71/67/351377167.db2.gz JNZDYUPZUHCHFK-VIFPVBQESA-N 1 0 148.209 1.159 50 0 in-vitro ADAARO CCC(CC)[NH2+]C[C@H]1CCCO1 15416773 351377716 /nfs/dbraw/zinc/37/77/16/351377716.db2.gz WRMKGJTZAATILL-SNVBAGLBSA-N 1 0 171.284 1.944 50 0 ADAARO c1cncc([C@H]2C[NH2+]CCS2)c1 15020697 351377247 /nfs/dbraw/zinc/37/72/47/351377247.db2.gz BMYYUGOVEFECNJ-SECBINFHSA-N 1 0 180.276 1.459 50 0 ADAARO CC[C@@H](C)[NH2+]C[C@H]1CCCO1 15416781 351378061 /nfs/dbraw/zinc/37/80/61/351378061.db2.gz DTGKGWYYYLRIBA-RKDXNWHRSA-N 1 0 157.257 1.554 50 0 ADAARO O[C@]1(c2ccccc2)CCC[NH2+]C1 15443521 351378804 /nfs/dbraw/zinc/37/88/04/351378804.db2.gz KJBQDFYSFZZSMZ-LLVKDONJSA-N 1 0 177.247 1.258 50 0 in-vitro ADAARO c1cn(CC[C@H]2CCCC[NH2+]2)cn1 15635555 351378939 /nfs/dbraw/zinc/37/89/39/351378939.db2.gz JXFKUPRQMYDHOQ-SNVBAGLBSA-N 1 0 179.267 1.415 50 0 ADAARO C[C@@H]1C[C@@H](C)C[NH+](CCCO)C1 15635665 351378947 /nfs/dbraw/zinc/37/89/47/351378947.db2.gz DMDOZRIHHKQUFD-NXEZZACHSA-N 1 0 171.284 1.347 50 0 in-vitro ADAARO c1ccc(NC2CC[NH2+]CC2)cc1 15442059 351378977 /nfs/dbraw/zinc/37/89/77/351378977.db2.gz LKRMTUUCKBQGFO-UHFFFAOYSA-N 1 0 176.263 1.851 50 0 in-vitro ADAARO c1ccc([C@H]2CC[NH2+]2)cc1 15635658 351379009 /nfs/dbraw/zinc/37/90/09/351379009.db2.gz CLNGGMJEJSANIE-SECBINFHSA-N 1 0 133.194 1.721 50 0 in-vitro ADAARO c1cn(CC[C@@H]2CCCC[NH2+]2)cn1 15635553 351379155 /nfs/dbraw/zinc/37/91/55/351379155.db2.gz JXFKUPRQMYDHOQ-JTQLQIEISA-N 1 0 179.267 1.415 50 0 ADAARO CC(C)C(=O)Nc1cccc(C[NH3+])c1 15554279 351379210 /nfs/dbraw/zinc/37/92/10/351379210.db2.gz IUIQBJCTFVOUHC-UHFFFAOYSA-N 1 0 192.262 1.740 50 0 in-vitro ADAARO O[C@@]1(c2ccccc2)CCC[NH2+]C1 15443519 351379251 /nfs/dbraw/zinc/37/92/51/351379251.db2.gz KJBQDFYSFZZSMZ-NSHDSACASA-N 1 0 177.247 1.258 50 0 in-vitro ADAARO OCCC[N@@H+]1CCc2ccccc2C1 15635564 351379276 /nfs/dbraw/zinc/37/92/76/351379276.db2.gz QSLXFERGRCSOAH-UHFFFAOYSA-N 1 0 191.274 1.427 50 0 ADAARO OCC[NH2+]Cc1cccc(Cl)c1 16398841 351379735 /nfs/dbraw/zinc/37/97/35/351379735.db2.gz IFPPTFSQAJZOCG-UHFFFAOYSA-N 1 0 185.654 1.422 50 0 in-vitro ADAARO c1ccn2c([C@H]3CCC[NH2+]3)nnc2c1 16680181 351379795 /nfs/dbraw/zinc/37/97/95/351379795.db2.gz ZKVONDFAKBDNMM-MRVPVSSYSA-N 1 0 188.234 1.154 50 0 ADAARO C[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1 16608566 351379863 /nfs/dbraw/zinc/37/98/63/351379863.db2.gz JDDGZKNTHGVZTQ-PRJMDXOYSA-N 1 0 127.231 1.770 50 0 ADAARO c1ccc2c(c1)CC1(CC[NH2+]CC1)O2 16698327 351380261 /nfs/dbraw/zinc/38/02/61/351380261.db2.gz ZELCJNKQCKIECO-UHFFFAOYSA-N 1 0 189.258 1.744 50 0 in-vitro ADAARO C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC1 16957855 351381508 /nfs/dbraw/zinc/38/15/08/351381508.db2.gz GJVNOZWJECMCHY-SECBINFHSA-N 1 0 196.294 1.139 50 0 ADAARO [NH3+]Cc1cccnc1C1CC1 17939046 351383612 /nfs/dbraw/zinc/38/36/12/351383612.db2.gz VSHHEOHODJOICW-UHFFFAOYSA-N 1 0 148.209 1.418 50 0 ADAARO CC(C)C[C@H]1CC[NH2+]C1 19090919 351386065 /nfs/dbraw/zinc/38/60/65/351386065.db2.gz HIYDGLLISXSAIC-MRVPVSSYSA-N 1 0 127.231 1.642 50 0 in-vitro ADAARO O[C@H](c1ccccn1)C1CC[NH2+]CC1 19088774 351386088 /nfs/dbraw/zinc/38/60/88/351386088.db2.gz BXDBAOURAFYYOE-NSHDSACASA-N 1 0 192.262 1.115 50 0 in-vitro ADAARO CC(C)CC1([NH3+])CC1 19091113 351386167 /nfs/dbraw/zinc/38/61/67/351386167.db2.gz YTAQAMHOCUWJIV-UHFFFAOYSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO CC[C@@H](C)CC[NH3+] 19090235 351386219 /nfs/dbraw/zinc/38/62/19/351386219.db2.gz JLAUIBFZZUVOBB-ZCFIWIBFSA-N 1 0 101.193 1.381 50 0 in-vitro ADAARO CC(C)C[C@H]1COCC[NH2+]1 19091149 351386224 /nfs/dbraw/zinc/38/62/24/351386224.db2.gz INIRYZSIQPENMR-QMMMGPOBSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO CC[C@@H](C)CC(N)=[NH2+] 19089831 351386243 /nfs/dbraw/zinc/38/62/43/351386243.db2.gz MONVAZUNBHXPRN-RXMQYKEDSA-N 1 0 114.192 1.359 50 0 ADAARO c1ncc(C[NH2+]C2CC2)s1 19090672 351386444 /nfs/dbraw/zinc/38/64/44/351386444.db2.gz UFKTVLAFAKBFST-UHFFFAOYSA-N 1 0 154.238 1.395 50 0 in-vitro ADAARO CC(C)C[C@@H]1C[NH2+]CCO1 19090931 351386457 /nfs/dbraw/zinc/38/64/57/351386457.db2.gz HNDXEVBVCNVVOW-MRVPVSSYSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO CC(C)C[C@H]1C[NH2+]CCO1 19090935 351386477 /nfs/dbraw/zinc/38/64/77/351386477.db2.gz HNDXEVBVCNVVOW-QMMMGPOBSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO c1ccc(CO[C@@H]2CCC[NH2+]C2)nc1 19089237 351386588 /nfs/dbraw/zinc/38/65/88/351386588.db2.gz MSMROVSZSSGCHL-LLVKDONJSA-N 1 0 192.262 1.350 50 0 in-vitro ADAARO CC(C)C[C@@H]1CC[NH2+]C1 19090915 351386601 /nfs/dbraw/zinc/38/66/01/351386601.db2.gz HIYDGLLISXSAIC-QMMMGPOBSA-N 1 0 127.231 1.642 50 0 in-vitro ADAARO c1csc([C@H]2CC[NH2+]2)c1 19090948 351386646 /nfs/dbraw/zinc/38/66/46/351386646.db2.gz ABDXALOYXTXLSK-ZCFIWIBFSA-N 1 0 139.223 1.783 50 0 in-vitro ADAARO c1cc(NC2CC2)cc[nH+]1 18859063 351386666 /nfs/dbraw/zinc/38/66/66/351386666.db2.gz RADOGDWKQXHRKW-UHFFFAOYSA-N 1 0 134.182 1.656 50 0 in-vitro ADAARO CC(C)CC(=O)[C@H]1CCC[NH2+]C1 19088726 351386685 /nfs/dbraw/zinc/38/66/85/351386685.db2.gz JAHXSEWOKQSFCX-VIFPVBQESA-N 1 0 169.268 1.601 50 0 in-vitro ADAARO CC(C)CCC(N)=[NH2+] 19089837 351386752 /nfs/dbraw/zinc/38/67/52/351386752.db2.gz WPIFMEPSARWTFQ-UHFFFAOYSA-N 1 0 114.192 1.359 50 0 in-vitro ADAARO c1cnn(CCC2CC[NH2+]CC2)c1 19090623 351386789 /nfs/dbraw/zinc/38/67/89/351386789.db2.gz PMCPBDFLUJGCTN-UHFFFAOYSA-N 1 0 179.267 1.273 50 0 in-vitro ADAARO CC(C)CC(=O)[C@@H]1CCC[NH2+]C1 19088723 351386800 /nfs/dbraw/zinc/38/68/00/351386800.db2.gz JAHXSEWOKQSFCX-SECBINFHSA-N 1 0 169.268 1.601 50 0 in-vitro ADAARO c1ccc(N2CCC[NH2+]CC2)cc1 19089260 351386890 /nfs/dbraw/zinc/38/68/90/351386890.db2.gz FAJGKPMGLMWSKW-UHFFFAOYSA-N 1 0 176.263 1.486 50 0 in-vitro ADAARO c1csc([C@@H]2CC[NH2+]2)c1 19090945 351386895 /nfs/dbraw/zinc/38/68/95/351386895.db2.gz ABDXALOYXTXLSK-LURJTMIESA-N 1 0 139.223 1.783 50 0 in-vitro ADAARO O[C@@H](c1ccccn1)C1CC[NH2+]CC1 19088777 351386925 /nfs/dbraw/zinc/38/69/25/351386925.db2.gz BXDBAOURAFYYOE-LLVKDONJSA-N 1 0 192.262 1.115 50 0 in-vitro ADAARO CC(C)C[C@@H]1COCC[NH2+]1 19091145 351386929 /nfs/dbraw/zinc/38/69/29/351386929.db2.gz INIRYZSIQPENMR-MRVPVSSYSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO CCOc1ccccc1OCC[NH2+]C 19094425 351387256 /nfs/dbraw/zinc/38/72/56/351387256.db2.gz RBZMDWDXCZNJOU-UHFFFAOYSA-N 1 0 195.262 1.684 50 0 in-vitro ADAARO CC(C)C1([NH3+])CC1 19092753 351387448 /nfs/dbraw/zinc/38/74/48/351387448.db2.gz BCEQMDPSJGINGM-UHFFFAOYSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO CC(C)CC[NH2+]C1CC1 19093093 351387518 /nfs/dbraw/zinc/38/75/18/351387518.db2.gz DFCGUBWPNVTPFC-UHFFFAOYSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO CC(C)C[NH2+]C1CC1 19093176 351387555 /nfs/dbraw/zinc/38/75/55/351387555.db2.gz QMRZIRCYXDFUCO-UHFFFAOYSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCO)C1 19091197 351388004 /nfs/dbraw/zinc/38/80/04/351388004.db2.gz LICXUVQWKVAKPC-GHMZBOCLSA-N 1 0 185.311 1.737 50 0 in-vitro ADAARO CC(C)COC[C@@H](C)[NH3+] 19271133 351388475 /nfs/dbraw/zinc/38/84/75/351388475.db2.gz MWZYHVGZQGWUCE-SSDOTTSWSA-N 1 0 131.219 1.006 50 0 in-vitro ADAARO CC(C)COC[C@H](C)[NH3+] 19271137 351388484 /nfs/dbraw/zinc/38/84/84/351388484.db2.gz MWZYHVGZQGWUCE-ZETCQYMHSA-N 1 0 131.219 1.006 50 0 in-vitro ADAARO CC(C)CCO[C@@H]1CCC[C@H]1[NH3+] 19282813 351388513 /nfs/dbraw/zinc/38/85/13/351388513.db2.gz ZAXGUJIXMMJHLS-NXEZZACHSA-N 1 0 171.284 1.929 50 0 ADAARO CC(C)CCO[C@H]1CCC[C@H]1[NH3+] 19282815 351388595 /nfs/dbraw/zinc/38/85/95/351388595.db2.gz ZAXGUJIXMMJHLS-ZJUUUORDSA-N 1 0 171.284 1.929 50 0 ADAARO CC(C)CCOCC[NH3+] 19273552 351388598 /nfs/dbraw/zinc/38/85/98/351388598.db2.gz VPCOEWNBDAOSCY-UHFFFAOYSA-N 1 0 131.219 1.008 50 0 in-vitro ADAARO C[C@@H]1CCCC[C@@H]1OCC[NH3+] 19269692 351388608 /nfs/dbraw/zinc/38/86/08/351388608.db2.gz WVAVJUUVJFWPJM-BDAKNGLRSA-N 1 0 157.257 1.540 50 0 ADAARO CC(C)CCO[C@@H]1CCC[C@@H]1[NH3+] 19282808 351388666 /nfs/dbraw/zinc/38/86/66/351388666.db2.gz ZAXGUJIXMMJHLS-VHSXEESVSA-N 1 0 171.284 1.929 50 0 ADAARO C[C@@H]1CCCC[C@H]1OCC[NH3+] 19269696 351388699 /nfs/dbraw/zinc/38/86/99/351388699.db2.gz WVAVJUUVJFWPJM-RKDXNWHRSA-N 1 0 157.257 1.540 50 0 ADAARO C[C@@H]1Cc2ccccc2N1CCC[NH3+] 19265684 351388723 /nfs/dbraw/zinc/38/87/23/351388723.db2.gz KSXVGIDENYOTMO-SNVBAGLBSA-N 1 0 190.290 1.786 50 0 ADAARO CC(C)CCNC(=O)C1CC[NH2+]CC1 19408662 351389275 /nfs/dbraw/zinc/38/92/75/351389275.db2.gz OMRVAEIRPDAPPU-UHFFFAOYSA-N 1 0 198.310 1.148 50 0 in-vitro ADAARO C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 19409101 351389355 /nfs/dbraw/zinc/38/93/55/351389355.db2.gz WTPTXPITMDBKKO-NXEZZACHSA-N 1 0 196.294 1.139 50 0 ADAARO CC[C@@H](C)[NH2+]C1CC1 19385961 351389365 /nfs/dbraw/zinc/38/93/65/351389365.db2.gz QONIUYZZEKLXQB-ZCFIWIBFSA-N 1 0 113.204 1.537 50 0 ADAARO C[C@@H](OC[C@@H](O)C[NH3+])c1ccccc1 19387525 351389585 /nfs/dbraw/zinc/38/95/85/351389585.db2.gz SKGOONNUQSISGC-KOLCDFICSA-N 1 0 195.262 1.084 50 0 in-vitro ADAARO CC(C)CSCC[NH3+] 19504748 351391320 /nfs/dbraw/zinc/39/13/20/351391320.db2.gz LWDLLZDODQKNDI-UHFFFAOYSA-N 1 0 133.260 1.334 50 0 ADAARO C[C@@H]1CCC[N@@H+](C(C)(C)CN)C1 19472286 351391376 /nfs/dbraw/zinc/39/13/76/351391376.db2.gz KOVSIJWAXFLXHK-SECBINFHSA-N 1 0 170.300 1.456 50 0 in-vitro ADAARO C[C@@H]1CCCC[N@@H+]1CC(N)=S 19486804 351391686 /nfs/dbraw/zinc/39/16/86/351391686.db2.gz DSDUMJBZNKJMIX-SSDOTTSWSA-N 1 0 172.297 1.147 50 0 in-vitro ADAARO C[C@@H]1CCC[C@](CN)([NH+](C)C)C1 19509068 351392289 /nfs/dbraw/zinc/39/22/89/351392289.db2.gz PEUFZDVXZCCLLT-ZJUUUORDSA-N 1 0 170.300 1.456 50 0 in-vitro ADAARO C[C@@H]1CCC[C@@](CN)([NH+](C)C)C1 19509064 351392329 /nfs/dbraw/zinc/39/23/29/351392329.db2.gz PEUFZDVXZCCLLT-NXEZZACHSA-N 1 0 170.300 1.456 50 0 in-vitro ADAARO OCCc1cc([C@H]2CCCC[NH2+]2)no1 19686258 351392763 /nfs/dbraw/zinc/39/27/63/351392763.db2.gz RJQSJCLEFMNLBR-SECBINFHSA-N 1 0 196.250 1.024 50 0 ADAARO CC(C)([NH3+])[C@H](O)c1ccc(F)cc1 19684203 351392786 /nfs/dbraw/zinc/39/27/86/351392786.db2.gz UFNHQCLMZHVPRL-SECBINFHSA-N 1 0 183.226 1.596 50 0 ADAARO c1ccc([C@H]2CCC[NH2+]C2)nc1 19686498 351392900 /nfs/dbraw/zinc/39/29/00/351392900.db2.gz ZCEKZDKAGHJNRD-VIFPVBQESA-N 1 0 162.236 1.549 50 0 in-vitro ADAARO c1cc([C@H]2CCCC[NH2+]2)ncn1 19686452 351392909 /nfs/dbraw/zinc/39/29/09/351392909.db2.gz QLWKJWYCDDJYSD-MRVPVSSYSA-N 1 0 163.224 1.291 50 0 ADAARO c1cc([C@@H]2CCCC[NH2+]2)ncn1 19686450 351393106 /nfs/dbraw/zinc/39/31/06/351393106.db2.gz QLWKJWYCDDJYSD-QMMMGPOBSA-N 1 0 163.224 1.291 50 0 ADAARO c1cnc(CC2CC[NH2+]CC2)cn1 19686767 351393136 /nfs/dbraw/zinc/39/31/36/351393136.db2.gz OTIHIUWKQIUWLB-UHFFFAOYSA-N 1 0 177.251 1.019 50 0 ADAARO c1cc([C@H]2CCCC[NH2+]2)n[nH]1 19686242 351393153 /nfs/dbraw/zinc/39/31/53/351393153.db2.gz JNOYHGAZDBVHEM-SSDOTTSWSA-N 1 0 151.213 1.224 50 0 in-vitro ADAARO c1cc([C@@H]2CCCC[NH2+]2)n[nH]1 19686240 351393200 /nfs/dbraw/zinc/39/32/00/351393200.db2.gz JNOYHGAZDBVHEM-ZETCQYMHSA-N 1 0 151.213 1.224 50 0 in-vitro ADAARO OCCc1cc([C@@H]2CCCC[NH2+]2)no1 19686256 351393218 /nfs/dbraw/zinc/39/32/18/351393218.db2.gz RJQSJCLEFMNLBR-VIFPVBQESA-N 1 0 196.250 1.024 50 0 ADAARO CC(C)([NH3+])c1nccs1 19721889 351393253 /nfs/dbraw/zinc/39/32/53/351393253.db2.gz XOYGWSITVXYAHY-UHFFFAOYSA-N 1 0 142.227 1.337 50 0 in-vitro ADAARO C[C@@H]1CCCC[C@H]1[NH+]1CCNCC1 19735303 351393742 /nfs/dbraw/zinc/39/37/42/351393742.db2.gz ZYJADGWLXSPEIR-GHMZBOCLSA-N 1 0 182.311 1.470 50 0 ADAARO C[C@@H]1CCCC[C@@H]1[NH+]1CCNCC1 19735301 351393819 /nfs/dbraw/zinc/39/38/19/351393819.db2.gz ZYJADGWLXSPEIR-MNOVXSKESA-N 1 0 182.311 1.470 50 0 ADAARO CC[C@@H](C)[NH2+]CC1CC1 19738533 351394140 /nfs/dbraw/zinc/39/41/40/351394140.db2.gz RHSXPSUUWHRARR-SSDOTTSWSA-N 1 0 127.231 1.785 50 0 ADAARO c1cc2nc3c(cc2cn1)C[NH2+]CC3 19735122 351394185 /nfs/dbraw/zinc/39/41/85/351394185.db2.gz AIABLTNJAVAKTJ-UHFFFAOYSA-N 1 0 185.230 1.276 50 0 in-vitro ADAARO c1coc([C@@H]2CC[NH2+]C2)c1 19785193 351394312 /nfs/dbraw/zinc/39/43/12/351394312.db2.gz JZUXVUVOBBUMGK-SSDOTTSWSA-N 1 0 137.182 1.357 50 0 in-vitro ADAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCN 19735204 351394369 /nfs/dbraw/zinc/39/43/69/351394369.db2.gz DQQHMRVHTMHDGE-RKDXNWHRSA-N 1 0 156.273 1.208 50 0 in-vitro ADAARO c1coc([C@H]2CC[NH2+]C2)c1 19785194 351394415 /nfs/dbraw/zinc/39/44/15/351394415.db2.gz JZUXVUVOBBUMGK-ZETCQYMHSA-N 1 0 137.182 1.357 50 0 in-vitro ADAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCO 19737137 351394466 /nfs/dbraw/zinc/39/44/66/351394466.db2.gz CRDBTWHALLRFOX-NXEZZACHSA-N 1 0 171.284 1.632 50 0 ADAARO c1cnc2nc3c(cc2c1)C[NH2+]CC3 19735123 351394554 /nfs/dbraw/zinc/39/45/54/351394554.db2.gz GJMMWESLLMXXPS-UHFFFAOYSA-N 1 0 185.230 1.276 50 0 ADAARO c1cc2c(cc1[C@H]1CC[NH2+]C1)OCO2 19785225 351394958 /nfs/dbraw/zinc/39/49/58/351394958.db2.gz HZVSXGNTMOKANQ-VIFPVBQESA-N 1 0 191.230 1.492 50 0 ADAARO CC(C)C[N@@H+]1CCCC[C@H]1CN 19843362 351394964 /nfs/dbraw/zinc/39/49/64/351394964.db2.gz GJZHTEIODPUPRD-JTQLQIEISA-N 1 0 170.300 1.456 50 0 ADAARO c1cc2c(cc1[C@@H]1CC[NH2+]C1)OCO2 19785224 351395111 /nfs/dbraw/zinc/39/51/11/351395111.db2.gz HZVSXGNTMOKANQ-SECBINFHSA-N 1 0 191.230 1.492 50 0 ADAARO C[C@@H]1C[NH2+]CCN1Cc1ccccc1 19851365 351395568 /nfs/dbraw/zinc/39/55/68/351395568.db2.gz JGEODYUVEMNPPY-LLVKDONJSA-N 1 0 190.290 1.480 50 0 in-vitro ADAARO CC(C)C[N@@H+]1CCCC[C@@H]1CN 19843361 351395661 /nfs/dbraw/zinc/39/56/61/351395661.db2.gz GJZHTEIODPUPRD-SNVBAGLBSA-N 1 0 170.300 1.456 50 0 ADAARO CC[C@@H](C)[NH2+]CCOC 19881710 351396461 /nfs/dbraw/zinc/39/64/61/351396461.db2.gz BXFXGWKIOJCARL-SSDOTTSWSA-N 1 0 131.219 1.021 50 0 in-vitro ADAARO CC(C)C[NH2+]C1CCN(C)CC1 19882941 351396534 /nfs/dbraw/zinc/39/65/34/351396534.db2.gz MIZPAEATLRNIMM-UHFFFAOYSA-N 1 0 170.300 1.326 50 0 in-vitro ADAARO OC1CCC([NH2+]Cc2ccco2)CC1 19918555 351397665 /nfs/dbraw/zinc/39/76/65/351397665.db2.gz VWECKCHYHZMCFQ-UHFFFAOYSA-N 1 0 195.262 1.673 50 0 ADAARO CC(C)C[NH2+]CC1CC1 19884705 351397794 /nfs/dbraw/zinc/39/77/94/351397794.db2.gz HCLAKJJHNUOCRL-UHFFFAOYSA-N 1 0 127.231 1.642 50 0 ADAARO c1ccc(C[NH2+]C[C@H]2CCOC2)cc1 19899631 351397965 /nfs/dbraw/zinc/39/79/65/351397965.db2.gz TXJQDIOLVGCGJV-GFCCVEGCSA-N 1 0 191.274 1.813 50 0 ADAARO c1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 19899629 351398053 /nfs/dbraw/zinc/39/80/53/351398053.db2.gz TXJQDIOLVGCGJV-LBPRGKRZSA-N 1 0 191.274 1.813 50 0 ADAARO c1ccc(C[NH2+]CC2CC2)nc1 19885102 351398071 /nfs/dbraw/zinc/39/80/71/351398071.db2.gz ISVQLGGAIHVRBC-UHFFFAOYSA-N 1 0 162.236 1.581 50 0 ADAARO CC[C@@H](C)[NH2+]C1CCC(O)CC1 19919020 351398089 /nfs/dbraw/zinc/39/80/89/351398089.db2.gz FCMPWSGVGMIEQU-XNWIYYODSA-N 1 0 171.284 1.678 50 0 ADAARO c1ccc(C[NH2+][C@H]2CCSC2)nc1 19956997 351398778 /nfs/dbraw/zinc/39/87/78/351398778.db2.gz JHNRUBIBMYVSNU-JTQLQIEISA-N 1 0 194.303 1.677 50 0 ADAARO c1ccc(C[NH2+][C@@H]2CCSC2)nc1 19956993 351398810 /nfs/dbraw/zinc/39/88/10/351398810.db2.gz JHNRUBIBMYVSNU-SNVBAGLBSA-N 1 0 194.303 1.677 50 0 ADAARO CC(C)C[NH2+]C[C@H]1CCCO1 19963433 351399184 /nfs/dbraw/zinc/39/91/84/351399184.db2.gz VNASWUJGMIFXPQ-SECBINFHSA-N 1 0 157.257 1.411 50 0 ADAARO CC[C@@H](C)C[NH2+]C 20083835 351399881 /nfs/dbraw/zinc/39/98/81/351399881.db2.gz OSUSHJKMXVMILZ-ZCFIWIBFSA-N 1 0 101.193 1.252 50 0 in-vitro ADAARO OCC[NH2+]C1CCCCCCC1 20046498 351399944 /nfs/dbraw/zinc/39/99/44/351399944.db2.gz ZSENYWITPNLAQQ-UHFFFAOYSA-N 1 0 171.284 1.681 50 0 in-vitro ADAARO CC[C@@H](C)[C@H](C)[NH3+] 20083498 351400158 /nfs/dbraw/zinc/40/01/58/351400158.db2.gz ZFAGOADKDXXTSV-RITPCOANSA-N 1 0 101.193 1.380 50 0 in-vitro ADAARO CC[C@@H](C)[C@@H](C)[NH3+] 20083491 351400418 /nfs/dbraw/zinc/40/04/18/351400418.db2.gz ZFAGOADKDXXTSV-PHDIDXHHSA-N 1 0 101.193 1.380 50 0 in-vitro ADAARO OCCC[NH2+]Cc1cccc(Cl)c1 20188293 351400977 /nfs/dbraw/zinc/40/09/77/351400977.db2.gz YNCJUXLPTKSPDW-UHFFFAOYSA-N 1 0 199.681 1.812 50 0 in-vitro ADAARO OCCC[NH2+][C@@H]1CCc2ccccc21 20188006 351401213 /nfs/dbraw/zinc/40/12/13/351401213.db2.gz QWRWSZFHGPDGNF-GFCCVEGCSA-N 1 0 191.274 1.646 50 0 in-vitro ADAARO OCCC[NH2+][C@H]1CCc2ccccc21 20188008 351401713 /nfs/dbraw/zinc/40/17/13/351401713.db2.gz QWRWSZFHGPDGNF-LBPRGKRZSA-N 1 0 191.274 1.646 50 0 in-vitro ADAARO OCCC[NH2+]C1CCCCCC1 20187787 351401722 /nfs/dbraw/zinc/40/17/22/351401722.db2.gz OXYJOLIHFRNKIB-UHFFFAOYSA-N 1 0 171.284 1.681 50 0 ADAARO C[C@@H](c1cccs1)N1CC[NH2+]CC1 20264231 351402375 /nfs/dbraw/zinc/40/23/75/351402375.db2.gz JUNYFCJKJIBFBK-VIFPVBQESA-N 1 0 196.319 1.714 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]CC2(CCCCC2)O1 20262979 351402676 /nfs/dbraw/zinc/40/26/76/351402676.db2.gz PAKWDSYXCRDNJZ-SECBINFHSA-N 1 0 169.268 1.698 50 0 ADAARO c1ccc(OCC[NH2+]C2CC2)cc1 20361138 351403659 /nfs/dbraw/zinc/40/36/59/351403659.db2.gz AVYSMSUAQDWIMC-UHFFFAOYSA-N 1 0 177.247 1.817 50 0 ADAARO c1ccc(-n2cc3c(n2)CC[NH2+]C3)cc1 20283138 351403874 /nfs/dbraw/zinc/40/38/74/351403874.db2.gz WYAIJTGPEFAROM-UHFFFAOYSA-N 1 0 199.257 1.518 50 0 in-vitro ADAARO CCOCc1ccccc1C[NH3+] 20282672 351404094 /nfs/dbraw/zinc/40/40/94/351404094.db2.gz XRHPSGUGMIFVLP-UHFFFAOYSA-N 1 0 165.236 1.682 50 0 in-vitro ADAARO c1ccc(C[C@@H]2CC[NH2+]2)cc1 20443073 351404995 /nfs/dbraw/zinc/40/49/95/351404995.db2.gz QACCZSKNXCZIRW-JTQLQIEISA-N 1 0 147.221 1.591 50 0 in-vitro ADAARO c1cncc([C@H]2CCC[NH2+]C2)c1 20417725 351405114 /nfs/dbraw/zinc/40/51/14/351405114.db2.gz KLDGENGYOLDCCH-JTQLQIEISA-N 1 0 162.236 1.549 50 0 ADAARO c1cncc([C@@H]2CCC[NH2+]C2)c1 20417729 351405130 /nfs/dbraw/zinc/40/51/30/351405130.db2.gz KLDGENGYOLDCCH-SNVBAGLBSA-N 1 0 162.236 1.549 50 0 ADAARO c1cc(NC[C@H]2CCCO2)cc[nH+]1 20556270 351405890 /nfs/dbraw/zinc/40/58/90/351405890.db2.gz CRFFHQRTZREWOJ-SNVBAGLBSA-N 1 0 178.235 1.673 50 0 in-vitro ADAARO Cc1noc(C)c1[C@H](C)C[NH3+] 20446405 351406076 /nfs/dbraw/zinc/40/60/76/351406076.db2.gz LEVUYGBVOMFQGU-RXMQYKEDSA-N 1 0 154.213 1.354 50 0 in-vitro ADAARO CCOc1ccc(C[NH3+])cc1F 20469925 351406175 /nfs/dbraw/zinc/40/61/75/351406175.db2.gz ZSTGBCYTQGGAQA-UHFFFAOYSA-N 1 0 169.199 1.683 50 0 in-vitro ADAARO Cc1noc(C)c1[C@@H](C)C[NH3+] 20446402 351406337 /nfs/dbraw/zinc/40/63/37/351406337.db2.gz LEVUYGBVOMFQGU-YFKPBYRVSA-N 1 0 154.213 1.354 50 0 in-vitro ADAARO c1cc(NC[C@@H]2CCCO2)cc[nH+]1 20556271 351406441 /nfs/dbraw/zinc/40/64/41/351406441.db2.gz CRFFHQRTZREWOJ-JTQLQIEISA-N 1 0 178.235 1.673 50 0 in-vitro ADAARO C[C@@H]1CCC[N@H+](CCC(=O)N(C)C)C1 20905566 351407016 /nfs/dbraw/zinc/40/70/16/351407016.db2.gz BISRFKSWMGVAPR-SNVBAGLBSA-N 1 0 198.310 1.197 50 0 ADAARO C[C@@H]1C[NH2+]Cc2cccnc21 20973333 351407063 /nfs/dbraw/zinc/40/70/63/351407063.db2.gz ZNOZHRNLWDCANL-SSDOTTSWSA-N 1 0 148.209 1.288 50 0 ADAARO C[C@@H]1C[NH2+]Cc2ccccc21 20971886 351407345 /nfs/dbraw/zinc/40/73/45/351407345.db2.gz TWIPIAJYKZMIPL-MRVPVSSYSA-N 1 0 147.221 1.893 50 0 in-vitro ADAARO CC1(C)SC(C)(C)C1[NH3+] 21302937 351407386 /nfs/dbraw/zinc/40/73/86/351407386.db2.gz SGBKWNVYBHTKLV-UHFFFAOYSA-N 1 0 145.271 1.618 50 0 ADAARO c1ccn(C2CC[NH2+]CC2)c1 21298243 351407920 /nfs/dbraw/zinc/40/79/20/351407920.db2.gz FUQWPFAUFIMXFV-UHFFFAOYSA-N 1 0 150.225 1.413 50 0 in-vitro ADAARO C[C@@H]1CCC[C@@H]([NH+]2CCNCC2)C1 21953540 351408445 /nfs/dbraw/zinc/40/84/45/351408445.db2.gz WZVDAEOTVAOPNR-GHMZBOCLSA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO C[C@@H]1CCC[C@H]([NH+]2CCNCC2)C1 21953546 351408895 /nfs/dbraw/zinc/40/88/95/351408895.db2.gz WZVDAEOTVAOPNR-MNOVXSKESA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO O[C@H]1CCCC[C@@H]1[NH+]1CCCCC1 21998090 351409905 /nfs/dbraw/zinc/40/99/05/351409905.db2.gz UXCABTUQGBBPPF-QWRGUYRKSA-N 1 0 183.295 1.776 50 0 in-vitro ADAARO O[C@H]1CCCC[C@H]1[NH+]1CCCC1 21998106 351410092 /nfs/dbraw/zinc/41/00/92/351410092.db2.gz QPIDLIAAUJBCSD-ZJUUUORDSA-N 1 0 169.268 1.386 50 0 in-vitro ADAARO O[C@H]1CCCC[C@@H]1[NH+]1CCCC1 21998098 351410096 /nfs/dbraw/zinc/41/00/96/351410096.db2.gz QPIDLIAAUJBCSD-UWVGGRQHSA-N 1 0 169.268 1.386 50 0 in-vitro ADAARO O[C@@H]1CCCC[C@@H]1[NH+]1CCCCC1 21998086 351410196 /nfs/dbraw/zinc/41/01/96/351410196.db2.gz UXCABTUQGBBPPF-WDEREUQCSA-N 1 0 183.295 1.776 50 0 in-vitro ADAARO O[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 21998094 351410262 /nfs/dbraw/zinc/41/02/62/351410262.db2.gz QPIDLIAAUJBCSD-VHSXEESVSA-N 1 0 169.268 1.386 50 0 in-vitro ADAARO C[C@@H]1CC(C)(C)C[NH2+]1 21998643 351410350 /nfs/dbraw/zinc/41/03/50/351410350.db2.gz DMLFUWCXZHZERA-ZCFIWIBFSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO O[C@@H]1CCCC[C@H]1[NH+]1CCCC1 21998103 351410371 /nfs/dbraw/zinc/41/03/71/351410371.db2.gz QPIDLIAAUJBCSD-NXEZZACHSA-N 1 0 169.268 1.386 50 0 in-vitro ADAARO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccccc1 22063345 351410684 /nfs/dbraw/zinc/41/06/84/351410684.db2.gz SFEGZLNDKUGHQJ-ZYHUDNBSSA-N 1 0 190.290 1.608 50 0 in-vitro ADAARO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccccc1 22063340 351411215 /nfs/dbraw/zinc/41/12/15/351411215.db2.gz SFEGZLNDKUGHQJ-PWSUYJOCSA-N 1 0 190.290 1.608 50 0 in-vitro ADAARO c1ccc([C@@H]2C[NH2+]CCCN2)cc1 22015522 351411354 /nfs/dbraw/zinc/41/13/54/351411354.db2.gz PQOLMVXRIQLMNF-NSHDSACASA-N 1 0 176.263 1.311 50 0 ADAARO c1ccc([C@H]2C[NH2+]CCCN2)cc1 22015526 351411411 /nfs/dbraw/zinc/41/14/11/351411411.db2.gz PQOLMVXRIQLMNF-LLVKDONJSA-N 1 0 176.263 1.311 50 0 ADAARO c1coc(CC2C[NH2+]C2)c1 22157390 351411950 /nfs/dbraw/zinc/41/19/50/351411950.db2.gz DSHHIBGQWQWUHT-UHFFFAOYSA-N 1 0 137.182 1.042 50 0 in-vitro ADAARO C[C@@H](c1ccsc1)N1CC[NH2+]CC1 22129320 351412073 /nfs/dbraw/zinc/41/20/73/351412073.db2.gz HOEYHUPGLXCVAK-VIFPVBQESA-N 1 0 196.319 1.714 50 0 in-vitro ADAARO CCOc1ccc2[nH]c(N)[nH+]c2c1 22130319 351412332 /nfs/dbraw/zinc/41/23/32/351412332.db2.gz NZUORMKRSZZVPM-UHFFFAOYSA-N 1 0 177.207 1.544 50 0 ADAARO c1ccc(CN[C@@H]2CC[NH2+]C2)cc1 22129858 351412598 /nfs/dbraw/zinc/41/25/98/351412598.db2.gz NFLXIAUKMQBTMN-LLVKDONJSA-N 1 0 176.263 1.138 50 0 ADAARO c1cc2n(c1)CC[NH2+][C@H]2c1ccncc1 22405215 351413099 /nfs/dbraw/zinc/41/30/99/351413099.db2.gz MPRZWCUIBYQXCV-LBPRGKRZSA-N 1 0 199.257 1.576 50 0 ADAARO c1ccc(CN2C[C@H]3C[C@@H]2C[NH2+]3)cc1 22466727 351413230 /nfs/dbraw/zinc/41/32/30/351413230.db2.gz JPRFUVVWNBBEDI-VXGBXAGGSA-N 1 0 188.274 1.233 50 0 ADAARO CC[C@@H](C)[NH2+]CCNCC(F)(F)F 22466958 351413251 /nfs/dbraw/zinc/41/32/51/351413251.db2.gz SYCSSJBDQKCHPI-SSDOTTSWSA-N 1 0 198.232 1.526 50 0 ADAARO c1ccc(CN[C@H]2CC[NH2+]C2)cc1 22198599 351413288 /nfs/dbraw/zinc/41/32/88/351413288.db2.gz NFLXIAUKMQBTMN-NSHDSACASA-N 1 0 176.263 1.138 50 0 ADAARO c1cc2n(c1)CC[NH2+][C@@H]2c1ccncc1 22405212 351413299 /nfs/dbraw/zinc/41/32/99/351413299.db2.gz MPRZWCUIBYQXCV-GFCCVEGCSA-N 1 0 199.257 1.576 50 0 ADAARO CC(C)=CC[NH+]1CCN(C)CC1 22586939 351413504 /nfs/dbraw/zinc/41/35/04/351413504.db2.gz FKQIKTWPJKMUNX-UHFFFAOYSA-N 1 0 168.284 1.200 50 0 ADAARO CCOCc1cccc(C[NH3+])c1 22222824 351413771 /nfs/dbraw/zinc/41/37/71/351413771.db2.gz DATNMSZJTNSMAV-UHFFFAOYSA-N 1 0 165.236 1.682 50 0 in-vitro ADAARO C[C@@H]1C[C@H]1c1ccc(C[NH3+])o1 22221780 351413813 /nfs/dbraw/zinc/41/38/13/351413813.db2.gz HHJHAYJSCJKLHL-HTRCEHHLSA-N 1 0 151.209 1.862 50 0 in-vitro ADAARO CC(C)C[C@H]1C[N@@H+]2CCC[C@H]2CN1 23363475 351414474 /nfs/dbraw/zinc/41/44/74/351414474.db2.gz CLNMUPYECOXNEZ-QWRGUYRKSA-N 1 0 182.311 1.469 50 0 ADAARO CCOc1ccc([C@H]([NH3+])COC)cc1 23069155 351414496 /nfs/dbraw/zinc/41/44/96/351414496.db2.gz WCVPSQFGOHVLIT-LLVKDONJSA-N 1 0 195.262 1.732 50 0 in-vitro ADAARO c1ccc2c(c1)CC[C@@]21CC[NH2+]C1 23508918 351414527 /nfs/dbraw/zinc/41/45/27/351414527.db2.gz ALQRKFSWQNBCSJ-LBPRGKRZSA-N 1 0 173.259 1.864 50 0 in-vitro ADAARO CC(C)C[NH2+]Cc1nccs1 22861900 351414599 /nfs/dbraw/zinc/41/45/99/351414599.db2.gz BHSRMJOAVCEUDM-UHFFFAOYSA-N 1 0 170.281 1.889 50 0 ADAARO OC[C@@H]1CCC[N@H+](Cc2ccco2)C1 23115154 351414634 /nfs/dbraw/zinc/41/46/34/351414634.db2.gz PEXAAQGGMUZXND-SNVBAGLBSA-N 1 0 195.262 1.484 50 0 ADAARO CC(C)C[C@H](CN)[NH+]1CCCC1 22921568 351414671 /nfs/dbraw/zinc/41/46/71/351414671.db2.gz IDORZLCUHIXBTH-SNVBAGLBSA-N 1 0 170.300 1.456 50 0 in-vitro ADAARO C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](CO)C2)C1 23280575 351414674 /nfs/dbraw/zinc/41/46/74/351414674.db2.gz HHZLAGZIXNRKKI-IJLUTSLNSA-N 1 0 197.322 1.879 50 0 ADAARO CC(C)C[C@@H](CN)[NH+]1CCCC1 22921564 351414750 /nfs/dbraw/zinc/41/47/50/351414750.db2.gz IDORZLCUHIXBTH-JTQLQIEISA-N 1 0 170.300 1.456 50 0 in-vitro ADAARO OC[C@H]1CCC[N@H+](Cc2ccco2)C1 23115156 351414831 /nfs/dbraw/zinc/41/48/31/351414831.db2.gz PEXAAQGGMUZXND-JTQLQIEISA-N 1 0 195.262 1.484 50 0 ADAARO CC(C)C[NH2+]Cc1ncc[nH]1 22861390 351414839 /nfs/dbraw/zinc/41/48/39/351414839.db2.gz NIXCAKDNCGAAKR-UHFFFAOYSA-N 1 0 153.229 1.155 50 0 ADAARO C[C@@H](c1ccncc1)N1CC[NH2+]CC1 22939585 351414860 /nfs/dbraw/zinc/41/48/60/351414860.db2.gz NGAAVRLUIZDMQZ-JTQLQIEISA-N 1 0 191.278 1.048 50 0 in-vitro ADAARO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](CO)C2)C1 23280579 351414865 /nfs/dbraw/zinc/41/48/65/351414865.db2.gz HHZLAGZIXNRKKI-UTUOFQBUSA-N 1 0 197.322 1.879 50 0 ADAARO c1ccc2c(c1)CC[C@]21CC[NH2+]C1 23508921 351414879 /nfs/dbraw/zinc/41/48/79/351414879.db2.gz ALQRKFSWQNBCSJ-GFCCVEGCSA-N 1 0 173.259 1.864 50 0 in-vitro ADAARO c1ccc(CN2C[C@@H]3C[C@H]2C[NH2+]3)cc1 22913598 351414904 /nfs/dbraw/zinc/41/49/04/351414904.db2.gz JPRFUVVWNBBEDI-RYUDHWBXSA-N 1 0 188.274 1.233 50 0 in-vitro ADAARO C[C@@H](c1cccnc1)N1CC[NH2+]CC1 22876802 351414930 /nfs/dbraw/zinc/41/49/30/351414930.db2.gz WFGSMKXGZGMERW-JTQLQIEISA-N 1 0 191.278 1.048 50 0 in-vitro ADAARO C[C@@H]1CCC[C@H]([NH+]2CCOCC2)C1 23550030 351415006 /nfs/dbraw/zinc/41/50/06/351415006.db2.gz XYFQRZLHYHHVIQ-MNOVXSKESA-N 1 0 183.295 1.897 50 0 ADAARO CCOc1ccc([C@@H]([NH3+])COC)cc1 23069153 351415019 /nfs/dbraw/zinc/41/50/19/351415019.db2.gz WCVPSQFGOHVLIT-NSHDSACASA-N 1 0 195.262 1.732 50 0 in-vitro ADAARO [NH3+]C[C@@H]1OCc2ccccc21 24318395 351415612 /nfs/dbraw/zinc/41/56/12/351415612.db2.gz VKMDWCKNUHAKHE-VIFPVBQESA-N 1 0 149.193 1.217 50 0 ADAARO C1CC([C@@H]2CCC[NH2+]C2)C1 23890641 351415761 /nfs/dbraw/zinc/41/57/61/351415761.db2.gz FXQMKFSOQOSXNT-SECBINFHSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO [NH3+]C[C@H]1OCc2ccccc21 24318400 351416179 /nfs/dbraw/zinc/41/61/79/351416179.db2.gz VKMDWCKNUHAKHE-SECBINFHSA-N 1 0 149.193 1.217 50 0 ADAARO c1cn2c([nH+]1)NCCCC2 24532973 351417244 /nfs/dbraw/zinc/41/72/44/351417244.db2.gz RLFGJOGAZDXJFO-UHFFFAOYSA-N 1 0 137.186 1.089 50 0 ADAARO C[C@@H]1C[NH2+][C@@H]2CCCC[C@@H]12 25875681 351418337 /nfs/dbraw/zinc/41/83/37/351418337.db2.gz ZCJGZUQXRFHPQL-HRDYMLBCSA-N 1 0 139.242 1.785 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@H]2CCCC[C@@H]12 25875689 351418381 /nfs/dbraw/zinc/41/83/81/351418381.db2.gz ZCJGZUQXRFHPQL-VGMNWLOBSA-N 1 0 139.242 1.785 50 0 in-vitro ADAARO c1ccc(OC[C@H]2CCC[NH2+]2)cc1 26379927 351418422 /nfs/dbraw/zinc/41/84/22/351418422.db2.gz CVINTVJDIQIIGZ-SNVBAGLBSA-N 1 0 177.247 1.817 50 0 in-vitro ADAARO C[C@@H]1[NH2+]Cc2ccccc21 25921026 351418476 /nfs/dbraw/zinc/41/84/76/351418476.db2.gz UWMCJDIBDVFVFT-ZETCQYMHSA-N 1 0 133.194 1.851 50 0 in-vitro ADAARO OCC[NH2+][C@H]1CCc2ccccc21 26515974 351419449 /nfs/dbraw/zinc/41/94/49/351419449.db2.gz GGLQSNAHAAPZCF-NSHDSACASA-N 1 0 177.247 1.256 50 0 in-vitro ADAARO C[C@@H]1[NH2+]CCc2ccc(O)cc21 26721131 351419295 /nfs/dbraw/zinc/41/92/95/351419295.db2.gz HZEAYESUQGYNCC-ZETCQYMHSA-N 1 0 163.220 1.599 50 0 ADAARO C[C@@H]1[NH2+]CCc2cc(O)ccc21 26721564 351419804 /nfs/dbraw/zinc/41/98/04/351419804.db2.gz WTTCKKHZWWAOHI-ZETCQYMHSA-N 1 0 163.220 1.599 50 0 ADAARO C[C@@H]1[NH2+]CCc2ccsc21 28247316 351420662 /nfs/dbraw/zinc/42/06/62/351420662.db2.gz NDKKMCDMZGOMPQ-LURJTMIESA-N 1 0 153.250 1.955 50 0 ADAARO c1ccc([C@@]23C[NH2+]C[C@@H]2C3)cc1 27552075 351420755 /nfs/dbraw/zinc/42/07/55/351420755.db2.gz HYXPTPHIWQWOQF-WDEREUQCSA-N 1 0 159.232 1.548 50 0 in-vivo ADAARO c1ccc([C@]23C[NH2+]C[C@H]2C3)cc1 27552079 351420922 /nfs/dbraw/zinc/42/09/22/351420922.db2.gz HYXPTPHIWQWOQF-MNOVXSKESA-N 1 0 159.232 1.548 50 0 in-vivo ADAARO CC(C)(O)C[NH2+]Cc1ccccc1 26898111 351421026 /nfs/dbraw/zinc/42/10/26/351421026.db2.gz HTYYZKBJEIKWKW-UHFFFAOYSA-N 1 0 179.263 1.547 50 0 in-vitro ADAARO c1ccc(CNC2=[NH+]CCOC2)cc1 27299590 351421313 /nfs/dbraw/zinc/42/13/13/351421313.db2.gz XTMWWBNTARZNJA-UHFFFAOYSA-N 1 0 190.246 1.205 50 0 ADAARO CCOc1cccc([C@H]2C[C@@H]2[NH3+])c1 32006991 351424396 /nfs/dbraw/zinc/42/43/96/351424396.db2.gz IUIOQWQTYQOKIZ-MNOVXSKESA-N 1 0 177.247 1.900 50 0 ADAARO C[C@@H]1CO[C@H](c2ccccc2)C[NH2+]1 32007004 351424074 /nfs/dbraw/zinc/42/40/74/351424074.db2.gz LQHGEOIBMBXJGV-KOLCDFICSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO CCOc1ccc([C@@H]2C[C@H]2[NH3+])cc1 32006999 351424232 /nfs/dbraw/zinc/42/42/32/351424232.db2.gz HUSKAVYEEJPUJN-WDEREUQCSA-N 1 0 177.247 1.900 50 0 ADAARO O[C@@H](c1ccccc1)[C@@H]1CCC[NH2+]1 32007013 351424252 /nfs/dbraw/zinc/42/42/52/351424252.db2.gz YPMHBZQROFTOSU-QWRGUYRKSA-N 1 0 177.247 1.472 50 0 in-vitro ADAARO CCOc1cccc([C@@H]2C[C@H]2[NH3+])c1 32006993 351424263 /nfs/dbraw/zinc/42/42/63/351424263.db2.gz IUIOQWQTYQOKIZ-WDEREUQCSA-N 1 0 177.247 1.900 50 0 ADAARO C[C@@H](c1ccccc1)N1CC[C@H]([NH3+])C1 31996504 351424289 /nfs/dbraw/zinc/42/42/89/351424289.db2.gz UPDDLDNYCOENHW-JQWIXIFHSA-N 1 0 190.290 1.781 50 0 in-vitro ADAARO O[C@@H](c1ccccc1)[C@H]1CCC[NH2+]1 32007016 351424431 /nfs/dbraw/zinc/42/44/31/351424431.db2.gz YPMHBZQROFTOSU-MNOVXSKESA-N 1 0 177.247 1.472 50 0 in-vitro ADAARO C[C@@H]1CO[C@@H](c2ccccc2)C[NH2+]1 32007001 351424524 /nfs/dbraw/zinc/42/45/24/351424524.db2.gz LQHGEOIBMBXJGV-MWLCHTKSSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO CCOc1cccc([C@H]2C[C@H]2[NH3+])c1 32006994 351424545 /nfs/dbraw/zinc/42/45/45/351424545.db2.gz IUIOQWQTYQOKIZ-GHMZBOCLSA-N 1 0 177.247 1.900 50 0 ADAARO CC(C)C[NH2+]CC(C)(C)O 32005508 351424578 /nfs/dbraw/zinc/42/45/78/351424578.db2.gz RHZQTDQCOWCWEH-UHFFFAOYSA-N 1 0 145.246 1.003 50 0 ADAARO O[C@H](C[NH2+]C1CC1)c1ccccc1 32006980 351424707 /nfs/dbraw/zinc/42/47/07/351424707.db2.gz DZEKVLKJJILVSJ-LLVKDONJSA-N 1 0 177.247 1.472 50 0 in-vitro ADAARO O[C@H](C[NH2+]C1CC1)c1ccc(F)cc1 32009160 351425271 /nfs/dbraw/zinc/42/52/71/351425271.db2.gz VQMJHCSSTYKGRD-LLVKDONJSA-N 1 0 195.237 1.611 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]C[C@H](c2ccc(F)cc2)O1 32009186 351425293 /nfs/dbraw/zinc/42/52/93/351425293.db2.gz LKPBWYNPOQOBRH-LDYMZIIASA-N 1 0 195.237 1.875 50 0 in-vitro ADAARO CC[C@@H](C)N(CC[NH3+])Cc1ccco1 32009408 351425300 /nfs/dbraw/zinc/42/53/00/351425300.db2.gz SKFNHAMUGJBSLL-SNVBAGLBSA-N 1 0 196.294 1.839 50 0 ADAARO O[C@@H](c1ccccc1)[C@@H]1CCC[NH2+]C1 32008425 351425384 /nfs/dbraw/zinc/42/53/84/351425384.db2.gz LRMSJSMBPXSCCK-NEPJUHHUSA-N 1 0 191.274 1.720 50 0 ADAARO O[C@H](c1ccccc1)[C@@H]1CCC[NH2+]C1 32008423 351425548 /nfs/dbraw/zinc/42/55/48/351425548.db2.gz LRMSJSMBPXSCCK-VXGBXAGGSA-N 1 0 191.274 1.720 50 0 ADAARO C[C@@H]1C[NH2+]C[C@@H](c2ccc(F)cc2)O1 32009183 351425748 /nfs/dbraw/zinc/42/57/48/351425748.db2.gz LKPBWYNPOQOBRH-KCJUWKMLSA-N 1 0 195.237 1.875 50 0 in-vitro ADAARO c1ccc2c(c1)OC1(CC[NH2+]C1)O2 32171657 351426318 /nfs/dbraw/zinc/42/63/18/351426318.db2.gz OUJKSHSWNVQPCI-UHFFFAOYSA-N 1 0 177.203 1.147 50 0 in-vitro ADAARO C[C@@H]1CC[C@@H](C)[NH2+]C1 32161720 351426542 /nfs/dbraw/zinc/42/65/42/351426542.db2.gz ICBFNPPCXPMCBP-RNFRBKRXSA-N 1 0 113.204 1.394 50 0 in-vitro ADAARO CC(C)C[NH+](CCO)CC(C)C 32187899 351427821 /nfs/dbraw/zinc/42/78/21/351427821.db2.gz UJCCSVVTAYOWLL-UHFFFAOYSA-N 1 0 173.300 1.593 50 0 ADAARO CC(C)=CCC[NH3+] 32182210 351427948 /nfs/dbraw/zinc/42/79/48/351427948.db2.gz KGNHJDRDIDXUHY-UHFFFAOYSA-N 1 0 99.177 1.301 50 0 in-vitro ADAARO c1ccc(-n2ncc3c2CC[NH2+]C3)cc1 32627820 351428976 /nfs/dbraw/zinc/42/89/76/351428976.db2.gz RPKPHRFHSJZLOR-UHFFFAOYSA-N 1 0 199.257 1.518 50 0 in-vitro ADAARO CC(C)(N)C[NH+]1CCCCCC1 32445535 351429078 /nfs/dbraw/zinc/42/90/78/351429078.db2.gz IPTQCHXUONPDGI-UHFFFAOYSA-N 1 0 170.300 1.600 50 0 in-vitro ADAARO c1cc2n(c1)CC[NH2+]C21CCCC1 32500423 351429222 /nfs/dbraw/zinc/42/92/22/351429222.db2.gz GVGZDJBTVHBYHL-UHFFFAOYSA-N 1 0 176.263 1.861 50 0 in-vitro ADAARO OC1(c2cccs2)CC[NH2+]CC1 32919514 351429911 /nfs/dbraw/zinc/42/99/11/351429911.db2.gz BYSHXPGDGVBPHI-UHFFFAOYSA-N 1 0 183.276 1.319 50 0 ADAARO CC(C)C[C@H](C)[NH+]1CCNCC1 32919442 351429965 /nfs/dbraw/zinc/42/99/65/351429965.db2.gz UAUWDLCUDIOLQP-JTQLQIEISA-N 1 0 170.300 1.326 50 0 in-vitro ADAARO c1c[nH]c([C@H]2CCCC[NH2+]2)n1 32914991 351430037 /nfs/dbraw/zinc/43/00/37/351430037.db2.gz GJQDDUPLCDQOHZ-SSDOTTSWSA-N 1 0 151.213 1.224 50 0 in-vitro ADAARO CC(C)([NH3+])c1cccc(O)c1 33487309 351430314 /nfs/dbraw/zinc/43/03/14/351430314.db2.gz IPFFRQCWICOBRN-UHFFFAOYSA-N 1 0 151.209 1.586 50 0 ADAARO CC(C)C[C@@H](C)[NH+]1CCNCC1 32919440 351430472 /nfs/dbraw/zinc/43/04/72/351430472.db2.gz UAUWDLCUDIOLQP-SNVBAGLBSA-N 1 0 170.300 1.326 50 0 in-vitro ADAARO CC(C)([NH3+])c1ccc(O)cc1 33487310 351431597 /nfs/dbraw/zinc/43/15/97/351431597.db2.gz YOZMIMYRFCYAQY-UHFFFAOYSA-N 1 0 151.209 1.586 50 0 ADAARO C[C@@H]1[NH2+]CC[C@]1(O)c1ccccc1 33610592 351431623 /nfs/dbraw/zinc/43/16/23/351431623.db2.gz KYSHNBSPVIORLR-GXSJLCMTSA-N 1 0 177.247 1.256 50 0 ADAARO CC1(C)CCCC[C@@H]1[NH3+] 33835003 351432268 /nfs/dbraw/zinc/43/22/68/351432268.db2.gz XVXGXOJNGBLOKR-ZETCQYMHSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO c1coc(-c2csc3[n+]2CCN3)c1 33779816 351432314 /nfs/dbraw/zinc/43/23/14/351432314.db2.gz DHYPYHUCGZMJCS-UHFFFAOYSA-O 1 0 193.251 1.721 50 0 ADAARO C[C@@H]1[NH2+]CCCS1 33876534 351432472 /nfs/dbraw/zinc/43/24/72/351432472.db2.gz KZWRWFXEEGOSCH-RXMQYKEDSA-N 1 0 117.217 1.059 50 0 ADAARO O[C@]1(c2ccc(Cl)cc2)CC[NH2+]C1 33856595 351432520 /nfs/dbraw/zinc/43/25/20/351432520.db2.gz CAVQGCMJFBZRLQ-SNVBAGLBSA-N 1 0 197.665 1.521 50 0 ADAARO CC1(C)CCCC[C@H]1[NH3+] 33835002 351432573 /nfs/dbraw/zinc/43/25/73/351432573.db2.gz XVXGXOJNGBLOKR-SSDOTTSWSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO O[C@@]1(c2ccc(Cl)cc2)CC[NH2+]C1 33856593 351432675 /nfs/dbraw/zinc/43/26/75/351432675.db2.gz CAVQGCMJFBZRLQ-JTQLQIEISA-N 1 0 197.665 1.521 50 0 ADAARO OC1CC[NH+](Cc2ccncc2)CC1 34180100 351436460 /nfs/dbraw/zinc/43/64/60/351436460.db2.gz GJWPEMSCJGJSOS-UHFFFAOYSA-N 1 0 192.262 1.038 50 0 ADAARO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] 34249685 351436587 /nfs/dbraw/zinc/43/65/87/351436587.db2.gz NFZIZQCPMPUVFT-PWSUYJOCSA-N 1 0 190.290 1.466 50 0 in-vitro ADAARO CC(C)[C@H](O)[C@H]([NH3+])c1ccccc1 34259797 351436681 /nfs/dbraw/zinc/43/66/81/351436681.db2.gz FQSSCVHRYZXWIR-MNOVXSKESA-N 1 0 179.263 1.703 50 0 ADAARO O[C@H](C[C@H]1CCC[NH2+]1)c1ccccc1 34268468 351437807 /nfs/dbraw/zinc/43/78/07/351437807.db2.gz VSDZLESKQMMKLT-VXGBXAGGSA-N 1 0 191.274 1.862 50 0 in-vitro ADAARO O[C@H](C[C@@H]1CCC[NH2+]1)c1ccccc1 34268466 351437821 /nfs/dbraw/zinc/43/78/21/351437821.db2.gz VSDZLESKQMMKLT-NWDGAFQWSA-N 1 0 191.274 1.862 50 0 in-vitro ADAARO C[C@@H]1CCCC[NH2+]C1 34265424 351437851 /nfs/dbraw/zinc/43/78/51/351437851.db2.gz DSBOHBZVJVNQRR-SSDOTTSWSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO O[C@@H](C[C@H]1CCC[NH2+]1)c1ccccc1 34268469 351437875 /nfs/dbraw/zinc/43/78/75/351437875.db2.gz VSDZLESKQMMKLT-NEPJUHHUSA-N 1 0 191.274 1.862 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]CC[C@H]1C 34301044 351437998 /nfs/dbraw/zinc/43/79/98/351437998.db2.gz YNKUJUOSWZNSJW-RNFRBKRXSA-N 1 0 113.204 1.252 50 0 in-vitro ADAARO C[C@@H]1CC[C@@H]([NH3+])[C@H](C)C1 34344319 351438955 /nfs/dbraw/zinc/43/89/55/351438955.db2.gz HWRRQRKPNKYPBW-BWZBUEFSSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO C[C@@H]1CC[C@H]([NH3+])[C@H](C)C1 34344317 351439028 /nfs/dbraw/zinc/43/90/28/351439028.db2.gz HWRRQRKPNKYPBW-PRJMDXOYSA-N 1 0 127.231 1.770 50 0 in-vitro ADAARO CC(C)(O)c1ccc(C[NH3+])cc1 34333895 351439106 /nfs/dbraw/zinc/43/91/06/351439106.db2.gz JXABOQLRHAMRAQ-UHFFFAOYSA-N 1 0 165.236 1.373 50 0 in-vitro ADAARO C[C@@H]1CC[C@H]([NH3+])C1 34412078 351439812 /nfs/dbraw/zinc/43/98/12/351439812.db2.gz LGSSDLSVHUCRFI-RITPCOANSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO C[C@@H]1CC[C@@H]([NH3+])C1 34412080 351439906 /nfs/dbraw/zinc/43/99/06/351439906.db2.gz LGSSDLSVHUCRFI-PHDIDXHHSA-N 1 0 99.177 1.134 50 0 in-vitro ADAARO C[C@H](O)[C@H]([NH3+])c1ccccc1 34449913 351440928 /nfs/dbraw/zinc/44/09/28/351440928.db2.gz AAEOXZIUGCXWTF-CBAPKCEASA-N 1 0 151.209 1.067 50 0 in-vitro ADAARO C[C@@]1(C[NH3+])CC1(Cl)Cl 34477609 351441688 /nfs/dbraw/zinc/44/16/88/351441688.db2.gz UMPWYZWZEOBJDO-BYPYZUCNSA-N 1 0 154.040 1.529 50 0 ADAARO CCOc1cccc2c1CC[NH2+]C2 34528864 351442410 /nfs/dbraw/zinc/44/24/10/351442410.db2.gz AWRQODHATCUSAP-UHFFFAOYSA-N 1 0 177.247 1.731 50 0 ADAARO CC(C)CCCC[NH3+] 34514739 351442737 /nfs/dbraw/zinc/44/27/37/351442737.db2.gz FBKYCBKRNDJLCX-UHFFFAOYSA-N 1 0 115.220 1.771 50 0 in-vitro ADAARO CCC[NH+]1CCC(CO)CC1 34574878 351443651 /nfs/dbraw/zinc/44/36/51/351443651.db2.gz WZVBRKNTLXKGFD-UHFFFAOYSA-N 1 0 157.257 1.101 50 0 ADAARO C[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 34741054 351444716 /nfs/dbraw/zinc/44/47/16/351444716.db2.gz ZJHBAERTGJSGHX-HLTSFMKQSA-N 1 0 139.242 1.927 50 0 in-vitro ADAARO OCC[NH2+]Cc1ccc(F)c(F)c1 34937276 351445600 /nfs/dbraw/zinc/44/56/00/351445600.db2.gz MKVBMCAWVQQADG-UHFFFAOYSA-N 1 0 187.189 1.047 50 0 ADAARO c1ccc(COC2C[NH2+]C2)cc1 34927273 351445830 /nfs/dbraw/zinc/44/58/30/351445830.db2.gz FJVSSNCNHKAMHI-UHFFFAOYSA-N 1 0 163.220 1.175 50 0 in-vitro ADAARO C[C@@H]1CCC(C)(C)C[NH2+]1 35028256 351448376 /nfs/dbraw/zinc/44/83/76/351448376.db2.gz KYWACIHIISYYSC-SSDOTTSWSA-N 1 0 127.231 1.785 50 0 ADAARO OCCC[NH+]1CCCCCCC1 35114481 351448459 /nfs/dbraw/zinc/44/84/59/351448459.db2.gz RQYLJRHPYHJWQD-UHFFFAOYSA-N 1 0 171.284 1.635 50 0 in-vitro ADAARO C[C@@](O)(C[NH3+])CCc1ccccc1 35278871 351449189 /nfs/dbraw/zinc/44/91/89/351449189.db2.gz LZGPGHGYGAIFGH-NSHDSACASA-N 1 0 179.263 1.329 50 0 ADAARO CC(C)CC[C@](C)(O)C[NH3+] 35278986 351449764 /nfs/dbraw/zinc/44/97/64/351449764.db2.gz XSFNYFUUQXHUIJ-QMMMGPOBSA-N 1 0 145.246 1.132 50 0 in-vitro ADAARO c1ccc([C@@H]2C[NH2+]CCCO2)cc1 35598671 351450292 /nfs/dbraw/zinc/45/02/92/351450292.db2.gz IZUBNDQLSFWKRL-NSHDSACASA-N 1 0 177.247 1.738 50 0 in-vitro ADAARO c1ccc([C@H]2C[NH2+]CCCO2)cc1 35598672 351450611 /nfs/dbraw/zinc/45/06/11/351450611.db2.gz IZUBNDQLSFWKRL-LLVKDONJSA-N 1 0 177.247 1.738 50 0 in-vitro ADAARO c1ccc2c(c1)C[C@@H]1[NH2+]CCCO[C@H]21 35598716 351451097 /nfs/dbraw/zinc/45/10/97/351451097.db2.gz JQSNWNLLAMPUIE-NWDGAFQWSA-N 1 0 189.258 1.662 50 0 ADAARO C[C@@H]1CCC[NH2+]CC1 35359192 351451166 /nfs/dbraw/zinc/45/11/66/351451166.db2.gz WKZHYWWKUYGHKO-SSDOTTSWSA-N 1 0 113.204 1.396 50 0 in-vitro ADAARO c1ccc2c(c1)C[C@H]1[NH2+]CCCO[C@@H]21 35598717 351451184 /nfs/dbraw/zinc/45/11/84/351451184.db2.gz JQSNWNLLAMPUIE-NEPJUHHUSA-N 1 0 189.258 1.662 50 0 ADAARO c1ccc2c(c1)C[C@@H]1[NH2+]CCCO[C@@H]21 35598718 351451220 /nfs/dbraw/zinc/45/12/20/351451220.db2.gz JQSNWNLLAMPUIE-RYUDHWBXSA-N 1 0 189.258 1.662 50 0 ADAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCO 35649812 351451608 /nfs/dbraw/zinc/45/16/08/351451608.db2.gz NJBXJPLWOZJAJJ-RKDXNWHRSA-N 1 0 157.257 1.242 50 0 ADAARO CCSCCCC[NH3+] 35722333 351452919 /nfs/dbraw/zinc/45/29/19/351452919.db2.gz YQNBIKGTDBLWLG-UHFFFAOYSA-N 1 0 133.260 1.478 50 0 ADAARO C[C@@H]1COc2ccccc2[C@@H]1[NH3+] 35732310 351453306 /nfs/dbraw/zinc/45/33/06/351453306.db2.gz ZZNNYMMLWMBZOR-GMSGAONNSA-N 1 0 163.220 1.715 50 0 ADAARO C[C@@H]1C[C@@H]([NH3+])c2ccccc2O1 35749229 351453447 /nfs/dbraw/zinc/45/34/47/351453447.db2.gz OWEKBOJBEVPIBC-VXNVDRBHSA-N 1 0 163.220 1.857 50 0 ADAARO C[C@@H]1COc2ccccc2[C@H]1[NH3+] 35732312 351453461 /nfs/dbraw/zinc/45/34/61/351453461.db2.gz ZZNNYMMLWMBZOR-XCBNKYQSSA-N 1 0 163.220 1.715 50 0 ADAARO C[C@@H]1C[C@H]([NH3+])c2ccccc2O1 35749225 351453657 /nfs/dbraw/zinc/45/36/57/351453657.db2.gz OWEKBOJBEVPIBC-APPZFPTMSA-N 1 0 163.220 1.857 50 0 ADAARO CCSc1cc(C[NH3+])ccn1 35719963 351453739 /nfs/dbraw/zinc/45/37/39/351453739.db2.gz ULNSWZJRJPRPPE-UHFFFAOYSA-N 1 0 168.265 1.652 50 0 in-vitro ADAARO c1cnn(-c2cc[nH+]cc2)c1 35779608 351454390 /nfs/dbraw/zinc/45/43/90/351454390.db2.gz BVQQFKCDQYLYFN-UHFFFAOYSA-N 1 0 145.165 1.267 50 0 ADAARO O=Cc1cnn(-c2cc[nH+]cc2)c1 35779351 351454455 /nfs/dbraw/zinc/45/44/55/351454455.db2.gz NRHKARYAMRAFIJ-UHFFFAOYSA-N 1 0 173.175 1.080 50 0 ADAARO c1cc(C[NH2+]C2CCOCC2)ccn1 36304366 351455614 /nfs/dbraw/zinc/45/56/14/351455614.db2.gz DTLKMRFDJHVDRQ-UHFFFAOYSA-N 1 0 192.262 1.350 50 0 ADAARO C[C@@H]1CCC[C@H]1C[NH3+] 36294396 351455987 /nfs/dbraw/zinc/45/59/87/351455987.db2.gz AXJPIFGJTJJDJR-RQJHMYQMSA-N 1 0 113.204 1.381 50 0 in-vitro ADAARO CCOc1cccc(F)c1C[NH3+] 36307089 351456781 /nfs/dbraw/zinc/45/67/81/351456781.db2.gz AOWNXEJSVUTGMF-UHFFFAOYSA-N 1 0 169.199 1.683 50 0 ADAARO c1ccc2c(c1)N[C@@H]1CC[NH2+]C[C@@H]21 36448160 351456882 /nfs/dbraw/zinc/45/68/82/351456882.db2.gz BPPMRCNUQCVVFJ-GXSJLCMTSA-N 1 0 174.247 1.558 50 0 ADAARO O=Cc1cc2c(s1)CC[NH2+]C2 36472809 351457633 /nfs/dbraw/zinc/45/76/33/351457633.db2.gz KYCZHHLBAACQPL-UHFFFAOYSA-N 1 0 167.233 1.206 50 0 ADAARO OCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 36827539 351458602 /nfs/dbraw/zinc/45/86/02/351458602.db2.gz QZJYTGZMRMJLJG-MNOVXSKESA-N 1 0 183.295 1.633 50 0 ADAARO OCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 36827537 351458702 /nfs/dbraw/zinc/45/87/02/351458702.db2.gz QZJYTGZMRMJLJG-QWRGUYRKSA-N 1 0 183.295 1.633 50 0 ADAARO OCC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 36827536 351458741 /nfs/dbraw/zinc/45/87/41/351458741.db2.gz QZJYTGZMRMJLJG-WDEREUQCSA-N 1 0 183.295 1.633 50 0 ADAARO CC[C@@H](C)[NH2+]Cc1csnn1 36901803 351459714 /nfs/dbraw/zinc/45/97/14/351459714.db2.gz YDCGWMQYIGCNID-ZCFIWIBFSA-N 1 0 171.269 1.426 50 0 ADAARO c1ccc2c(c1)C[C@@H](C[NH2+]C1CC1)O2 36947953 351461014 /nfs/dbraw/zinc/46/10/14/351461014.db2.gz OEJPZVWTFLXFDN-NSHDSACASA-N 1 0 189.258 1.742 50 0 in-vitro ADAARO c1ccc(COC2CC[NH2+]CC2)nc1 36963150 351462563 /nfs/dbraw/zinc/46/25/63/351462563.db2.gz ITOWWMNWQAMHSK-UHFFFAOYSA-N 1 0 192.262 1.350 50 0 in-vitro ADAARO c1csc(NC2CC[NH2+]CC2)n1 37116589 351463414 /nfs/dbraw/zinc/46/34/14/351463414.db2.gz IHYYCNBKRXWBHO-UHFFFAOYSA-N 1 0 183.280 1.307 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@@H]2CCCC[C@@H]2O1 37116999 351463486 /nfs/dbraw/zinc/46/34/86/351463486.db2.gz OBXYMHAJTBIDRM-HLTSFMKQSA-N 1 0 155.241 1.306 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@H]2CCCC[C@@H]2O1 37117001 351463604 /nfs/dbraw/zinc/46/36/04/351463604.db2.gz OBXYMHAJTBIDRM-VGMNWLOBSA-N 1 0 155.241 1.306 50 0 in-vitro ADAARO C[C@@H]1CCCC[C@@H]1C[NH3+] 37245879 351464342 /nfs/dbraw/zinc/46/43/42/351464342.db2.gz YNCOJHDAHDQVOG-HTQZYQBOSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO C[C@@H]1CCC[C@H](C[NH3+])C1 37245858 351464511 /nfs/dbraw/zinc/46/45/11/351464511.db2.gz AVBFYDXLBKBKNT-SFYZADRCSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO C[C@@H]1CCCC[C@H]1C[NH3+] 37245883 351464545 /nfs/dbraw/zinc/46/45/45/351464545.db2.gz YNCOJHDAHDQVOG-SFYZADRCSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO C[C@@H]1CCC[C@@H](C[NH3+])C1 37245864 351464567 /nfs/dbraw/zinc/46/45/67/351464567.db2.gz AVBFYDXLBKBKNT-HTQZYQBOSA-N 1 0 127.231 1.771 50 0 in-vitro ADAARO C[C@@](O)(C[NH3+])C1CCCCC1 37367361 351466711 /nfs/dbraw/zinc/46/67/11/351466711.db2.gz MIQIIGHQMPVULC-SECBINFHSA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO CC(C)([NH3+])C1CCCC1 37380331 351466799 /nfs/dbraw/zinc/46/67/99/351466799.db2.gz DGNLZMMXGZCFBF-UHFFFAOYSA-N 1 0 127.231 1.914 50 0 ADAARO CC(C)CNC(=O)C1([NH3+])CCCC1 37479351 351469020 /nfs/dbraw/zinc/46/90/20/351469020.db2.gz MCBWJZKZQKITFW-UHFFFAOYSA-N 1 0 184.283 1.030 50 0 in-vitro ADAARO O[C@H]1CCCC[C@@H]1[NH2+]C1CCCC1 37490726 351469612 /nfs/dbraw/zinc/46/96/12/351469612.db2.gz BKYQSCITTDCQJK-QWRGUYRKSA-N 1 0 183.295 1.822 50 0 ADAARO O[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 37489890 351469697 /nfs/dbraw/zinc/46/96/97/351469697.db2.gz FEGVMDAESGIXLU-NWDGAFQWSA-N 1 0 191.274 1.690 50 0 ADAARO O[C@@H]1CCCC[C@H]1[NH2+]C1CCCC1 37490727 351469734 /nfs/dbraw/zinc/46/97/34/351469734.db2.gz BKYQSCITTDCQJK-GHMZBOCLSA-N 1 0 183.295 1.822 50 0 ADAARO O[C@@H]1CCC[C@H]1[NH+]1CCCCC1 37489602 351469820 /nfs/dbraw/zinc/46/98/20/351469820.db2.gz YJEHWGWZIACGHM-NXEZZACHSA-N 1 0 169.268 1.386 50 0 in-vitro ADAARO O[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 37489888 351470125 /nfs/dbraw/zinc/47/01/25/351470125.db2.gz FEGVMDAESGIXLU-RYUDHWBXSA-N 1 0 191.274 1.690 50 0 in-vitro ADAARO O[C@@H]1CCCC[C@@H]1[NH2+]C1CCCC1 37490728 351470211 /nfs/dbraw/zinc/47/02/11/351470211.db2.gz BKYQSCITTDCQJK-WDEREUQCSA-N 1 0 183.295 1.822 50 0 ADAARO C[C@@H]1C[NH2+][C@@H](C)C1 37624726 351470729 /nfs/dbraw/zinc/47/07/29/351470729.db2.gz DUOJVRWFIHNZTJ-WDSKDSINSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@H](C)C1 37624728 351470958 /nfs/dbraw/zinc/47/09/58/351470958.db2.gz DUOJVRWFIHNZTJ-NTSWFWBYSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO CC[N@H+](C)C[C@@H](O)c1ccccc1 37693839 351471836 /nfs/dbraw/zinc/47/18/36/351471836.db2.gz JXMCLUWWFKYWPR-LLVKDONJSA-N 1 0 179.263 1.672 50 0 ADAARO CC[N@H+](C)C[C@H](O)c1ccccc1 37693838 351472130 /nfs/dbraw/zinc/47/21/30/351472130.db2.gz JXMCLUWWFKYWPR-NSHDSACASA-N 1 0 179.263 1.672 50 0 ADAARO CC[C@H](C[NH3+])C(C)C 37755204 351474266 /nfs/dbraw/zinc/47/42/66/351474266.db2.gz DUVMZZKAZNNLQY-SSDOTTSWSA-N 1 0 115.220 1.627 50 0 in-vitro ADAARO C[C@@]([NH3+])(CO)c1ccccc1Cl 38124524 351478602 /nfs/dbraw/zinc/47/86/02/351478602.db2.gz AUPNMQMJANYYOM-SECBINFHSA-N 1 0 185.654 1.506 50 0 ADAARO CC[C@@H](C)[NH2+][C@@H](CO)CC(C)C 38116558 351478721 /nfs/dbraw/zinc/47/87/21/351478721.db2.gz VHZBXALGCQOWOR-NXEZZACHSA-N 1 0 173.300 1.782 50 0 ADAARO C[C@@H]1CC(C)(C)C[C@]([NH3+])(CO)C1 38124608 351479214 /nfs/dbraw/zinc/47/92/14/351479214.db2.gz PYPLUNYMZUDMPI-SCZZXKLOSA-N 1 0 171.284 1.522 50 0 in-vitro ADAARO CC(C)C[C@@H](CO)[NH2+]C(C)C 38115779 351479224 /nfs/dbraw/zinc/47/92/24/351479224.db2.gz DHUVZFGZAGOBAB-VIFPVBQESA-N 1 0 159.273 1.391 50 0 ADAARO CC(C)C[C@@H](CO)[NH2+]C1CCCC1 38122961 351479292 /nfs/dbraw/zinc/47/92/92/351479292.db2.gz JRAMGCVTOCEGNX-NSHDSACASA-N 1 0 185.311 1.926 50 0 ADAARO CC[C@@H](C)[NH2+][C@H](CO)CC(C)C 38116556 351479474 /nfs/dbraw/zinc/47/94/74/351479474.db2.gz VHZBXALGCQOWOR-ZJUUUORDSA-N 1 0 173.300 1.782 50 0 ADAARO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(CO)C1 38124610 351479554 /nfs/dbraw/zinc/47/95/54/351479554.db2.gz PYPLUNYMZUDMPI-PSASIEDQSA-N 1 0 171.284 1.522 50 0 in-vitro ADAARO CC(C)([NH3+])C(=O)OCc1ccccc1 38266572 351480112 /nfs/dbraw/zinc/48/01/12/351480112.db2.gz DPEATBWCWKCPRX-UHFFFAOYSA-N 1 0 193.246 1.467 50 0 ADAARO C[C@@H]1C[NH2+][C@@H]1c1ccccc1 38246807 351480300 /nfs/dbraw/zinc/48/03/00/351480300.db2.gz ADXUADGJFQCUSH-SCZZXKLOSA-N 1 0 147.221 1.967 50 0 in-vitro ADAARO OC1C[C@@H]2CC[C@H](C1)[N@@H+]2CC1CC1 38343308 351480962 /nfs/dbraw/zinc/48/09/62/351480962.db2.gz VHAPTJVFPQQDNF-ZACCUICWSA-N 1 0 181.279 1.384 50 0 in-vitro ADAARO OC[C@]1(c2ccccc2)CCC[NH2+]C1 38434712 351481069 /nfs/dbraw/zinc/48/10/69/351481069.db2.gz PGUSALGFGXVARB-LBPRGKRZSA-N 1 0 191.274 1.300 50 0 in-vitro ADAARO CCOc1ccc(C[NH3+])c(F)c1F 38529910 351481839 /nfs/dbraw/zinc/48/18/39/351481839.db2.gz HEQSMZPXPVOQCD-UHFFFAOYSA-N 1 0 187.189 1.822 50 0 ADAARO C[C@@H]1CN[C@H](c2ccccc2)C[NH2+]1 38545442 351481889 /nfs/dbraw/zinc/48/18/89/351481889.db2.gz GBEIREVJIUGSDR-KOLCDFICSA-N 1 0 176.263 1.309 50 0 ADAARO c1cc([C@H]2CCC[NH2+]C2)ccn1 38539083 351481901 /nfs/dbraw/zinc/48/19/01/351481901.db2.gz BGRLUJJHCXFDRE-JTQLQIEISA-N 1 0 162.236 1.549 50 0 ADAARO c1cc2c(cn1)C1(CC[NH2+]CC1)OC2 38526324 351482054 /nfs/dbraw/zinc/48/20/54/351482054.db2.gz AYJYOTMPNCIHOG-UHFFFAOYSA-N 1 0 190.246 1.191 50 0 ADAARO c1ccc(-c2ncc3c(n2)C[NH2+]C3)cc1 38579745 351482063 /nfs/dbraw/zinc/48/20/63/351482063.db2.gz SWWCXJBPXRJTLR-UHFFFAOYSA-N 1 0 197.241 1.747 50 0 in-vitro ADAARO CCOc1c(F)ccc(C[NH3+])c1F 38529958 351482217 /nfs/dbraw/zinc/48/22/17/351482217.db2.gz BMWSDOWVVWFXDW-UHFFFAOYSA-N 1 0 187.189 1.822 50 0 ADAARO c1cc([C@@H]2CCC[NH2+]C2)ccn1 38539081 351482230 /nfs/dbraw/zinc/48/22/30/351482230.db2.gz BGRLUJJHCXFDRE-SNVBAGLBSA-N 1 0 162.236 1.549 50 0 ADAARO C[C@@H]1CN[C@@H](c2ccccc2)C[NH2+]1 38545444 351482262 /nfs/dbraw/zinc/48/22/62/351482262.db2.gz GBEIREVJIUGSDR-MWLCHTKSSA-N 1 0 176.263 1.309 50 0 ADAARO CCOc1c(F)cc(F)cc1C[NH3+] 38529935 351482274 /nfs/dbraw/zinc/48/22/74/351482274.db2.gz SEDCPAAAKKLOJU-UHFFFAOYSA-N 1 0 187.189 1.822 50 0 ADAARO c1cnn(CC[NH+]2CCCCC2)c1 38537760 351482464 /nfs/dbraw/zinc/48/24/64/351482464.db2.gz XDCODYPNQAXQEL-UHFFFAOYSA-N 1 0 179.267 1.369 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@@H](c2cccnc2)C1 38805428 351482932 /nfs/dbraw/zinc/48/29/32/351482932.db2.gz HVCJQAVVLXCYDG-WCBMZHEXSA-N 1 0 162.236 1.752 50 0 in-vitro ADAARO CC(C)C[NH+](CCN)CC(C)C 38738742 351483103 /nfs/dbraw/zinc/48/31/03/351483103.db2.gz KEJMAAPZOAUTRO-UHFFFAOYSA-N 1 0 172.316 1.559 50 0 in-vitro ADAARO CC(C)C[N@@H+]1CCC[C@@H]1CN 38665875 351483339 /nfs/dbraw/zinc/48/33/39/351483339.db2.gz NLURJNHWDOYZEK-SECBINFHSA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@H](c2cccnc2)C1 38805433 351483380 /nfs/dbraw/zinc/48/33/80/351483380.db2.gz HVCJQAVVLXCYDG-WPRPVWTQSA-N 1 0 162.236 1.752 50 0 in-vitro ADAARO CC(C)([NH3+])c1nc2ccccc2[nH]1 38655432 351483401 /nfs/dbraw/zinc/48/34/01/351483401.db2.gz GDPCSCXJFBPVMY-UHFFFAOYSA-N 1 0 175.235 1.757 50 0 ADAARO O=c1ccc([C@H]2CCCC[NH2+]2)c[nH]1 38865486 351484089 /nfs/dbraw/zinc/48/40/89/351484089.db2.gz QNDORELUHPRNQW-SECBINFHSA-N 1 0 178.235 1.190 50 0 ADAARO C[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]2)C1 38971026 351484130 /nfs/dbraw/zinc/48/41/30/351484130.db2.gz YFVFCHMUBAYVAT-NEPJUHHUSA-N 1 0 196.338 1.860 50 0 in-vitro ADAARO CCSC[C@H](C)[NH3+] 38855766 351484143 /nfs/dbraw/zinc/48/41/43/351484143.db2.gz KRVVUNSYQWYLBU-YFKPBYRVSA-N 1 0 119.233 1.087 50 0 in-vitro ADAARO CCSC[C@@H](C)[NH3+] 38855764 351484267 /nfs/dbraw/zinc/48/42/67/351484267.db2.gz KRVVUNSYQWYLBU-RXMQYKEDSA-N 1 0 119.233 1.087 50 0 in-vitro ADAARO Oc1cnc2c(c1)CCCC2 39050095 351485057 /nfs/dbraw/zinc/48/50/57/351485057.db2.gz PSXNUQKAJHVAPG-UHFFFAOYSA-N 1 0 149.193 1.666 50 0 ADAARO CC(C)([NH3+])Cc1ccncc1 39050195 351485137 /nfs/dbraw/zinc/48/51/37/351485137.db2.gz NNPAHMXUSBVORE-UHFFFAOYSA-N 1 0 150.225 1.361 50 0 ADAARO c1cc2c(c[nH+]1)CCN2 39094892 351491610 /nfs/dbraw/zinc/49/16/10/351491610.db2.gz UPZFJNRJKUKWGW-UHFFFAOYSA-N 1 0 120.155 1.050 50 0 in-vitro ADAARO c1ccc2c(c1)CCN1CC[NH2+]C[C@H]21 39115342 351493169 /nfs/dbraw/zinc/49/31/69/351493169.db2.gz SCVCXWHEHAKJCG-GFCCVEGCSA-N 1 0 188.274 1.189 50 0 in-man ADAARO c1ccc2c(c1)CCN1CC[NH2+]C[C@@H]21 39115341 351493807 /nfs/dbraw/zinc/49/38/07/351493807.db2.gz SCVCXWHEHAKJCG-LBPRGKRZSA-N 1 0 188.274 1.189 50 0 in-man ADAARO C[C@@H]1C[C@@]1([NH3+])Cc1ccccc1 39135630 351495840 /nfs/dbraw/zinc/49/58/40/351495840.db2.gz QREHLINLNAWODX-MWLCHTKSSA-N 1 0 161.248 1.966 50 0 ADAARO CCO[C@@H](C[NH3+])c1ccccc1 39147636 351496662 /nfs/dbraw/zinc/49/66/62/351496662.db2.gz YSLLALOLBVYYEY-JTQLQIEISA-N 1 0 165.236 1.723 50 0 in-vitro ADAARO C[C@@H]1CCCCN1C[C@@H]1CCC[NH2+]1 39141020 351496937 /nfs/dbraw/zinc/49/69/37/351496937.db2.gz PTXZNJRXJUNLBS-MNOVXSKESA-N 1 0 182.311 1.613 50 0 in-vitro ADAARO CCO[C@H](C[NH3+])c1ccccc1 39147637 351497066 /nfs/dbraw/zinc/49/70/66/351497066.db2.gz YSLLALOLBVYYEY-SNVBAGLBSA-N 1 0 165.236 1.723 50 0 in-vitro ADAARO C[C@@H]1c2ccccc2C[C@@H]1[NH3+] 39208852 351497817 /nfs/dbraw/zinc/49/78/17/351497817.db2.gz DOMIRQRGULWJML-XCBNKYQSSA-N 1 0 147.221 1.674 50 0 in-vitro ADAARO C[C@@H]1Cc2ccccc2[C@@H]1[NH3+] 39208860 351497905 /nfs/dbraw/zinc/49/79/05/351497905.db2.gz PTOLXLSYGKBIJB-GMSGAONNSA-N 1 0 147.221 1.879 50 0 in-vitro ADAARO C[C@@H]1c2ccccc2C[C@H]1[NH3+] 39208854 351497991 /nfs/dbraw/zinc/49/79/91/351497991.db2.gz DOMIRQRGULWJML-GMSGAONNSA-N 1 0 147.221 1.674 50 0 in-vitro ADAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 39203211 351498024 /nfs/dbraw/zinc/49/80/24/351498024.db2.gz IZIHKVIKLYFELH-LLVKDONJSA-N 1 0 191.274 1.907 50 0 ADAARO c1ccc2c(c1)N[C@H]1CC[NH2+]C[C@@H]21 39242233 351498863 /nfs/dbraw/zinc/49/88/63/351498863.db2.gz BPPMRCNUQCVVFJ-ONGXEEELSA-N 1 0 174.247 1.558 50 0 ADAARO c1ccc2c(c1)N[C@@H]1CC[NH2+]C[C@H]21 39242235 351499027 /nfs/dbraw/zinc/49/90/27/351499027.db2.gz BPPMRCNUQCVVFJ-MWLCHTKSSA-N 1 0 174.247 1.558 50 0 ADAARO c1ccc2c(c1)N[C@H]1CC[NH2+]C[C@H]21 39242234 351499168 /nfs/dbraw/zinc/49/91/68/351499168.db2.gz BPPMRCNUQCVVFJ-KOLCDFICSA-N 1 0 174.247 1.558 50 0 ADAARO CC(C)C[C@H]1C[N@@H+]2CCC[C@@H]2CN1 39326113 351501120 /nfs/dbraw/zinc/50/11/20/351501120.db2.gz CLNMUPYECOXNEZ-WDEREUQCSA-N 1 0 182.311 1.469 50 0 ADAARO c1ccc2c(c1)C[NH2+]CCCN2 39310136 351501182 /nfs/dbraw/zinc/50/11/82/351501182.db2.gz HPUCAJGSVHDALO-UHFFFAOYSA-N 1 0 162.236 1.592 50 0 ADAARO c1cc2c(s1)CCC[NH2+]C2 39386927 351501852 /nfs/dbraw/zinc/50/18/52/351501852.db2.gz QCMKVZZHNHJLAQ-UHFFFAOYSA-N 1 0 153.250 1.784 50 0 in-vitro ADAARO c1ccc(CNC[C@@H]2CCC[NH2+]2)cc1 39414710 351501987 /nfs/dbraw/zinc/50/19/87/351501987.db2.gz CKJNLWALFAFBHN-LBPRGKRZSA-N 1 0 190.290 1.528 50 0 in-vitro ADAARO c1ccc(CNC[C@H]2CCC[NH2+]2)cc1 39414711 351502120 /nfs/dbraw/zinc/50/21/20/351502120.db2.gz CKJNLWALFAFBHN-GFCCVEGCSA-N 1 0 190.290 1.528 50 0 in-vitro ADAARO c1cn(CCCC2CC[NH2+]CC2)cn1 39472514 351503580 /nfs/dbraw/zinc/50/35/80/351503580.db2.gz YVGKIZVFJBMQCH-UHFFFAOYSA-N 1 0 193.294 1.663 50 0 in-vitro ADAARO CC[C@@H](C)[NH2+]CCNC(C)C 39712264 351504626 /nfs/dbraw/zinc/50/46/26/351504626.db2.gz VELKVXYYFGKWRG-SECBINFHSA-N 1 0 158.289 1.373 50 0 ADAARO CC(C)([NH3+])CNC(=O)OC(C)(C)C 39952148 351503982 /nfs/dbraw/zinc/50/39/82/351503982.db2.gz KCBBEHBEAPOBSC-UHFFFAOYSA-N 1 0 188.271 1.248 50 0 in-vitro ADAARO C[C@@H]1CCCC[N@@H+]1CC(C)(C)N 39958222 351504231 /nfs/dbraw/zinc/50/42/31/351504231.db2.gz FRAJFMOTJCQVOA-SECBINFHSA-N 1 0 170.300 1.598 50 0 in-vitro ADAARO CC[C@@H](C)[NH2+]CCNC1CC1 39712260 351504438 /nfs/dbraw/zinc/50/44/38/351504438.db2.gz JOSKEAMXOFDCMN-MRVPVSSYSA-N 1 0 156.273 1.127 50 0 ADAARO CC(C)([NH3+])c1ccc(N)cc1 39953807 351504579 /nfs/dbraw/zinc/50/45/79/351504579.db2.gz DJKXYDZAXRFXCF-UHFFFAOYSA-N 1 0 150.225 1.463 50 0 ADAARO CC(C)CSc1nc(N)cc(N)[nH+]1 40161657 351504642 /nfs/dbraw/zinc/50/46/42/351504642.db2.gz KZKBEEOFFDBHSH-UHFFFAOYSA-N 1 0 198.295 1.389 50 0 ADAARO CC(C)([NH3+])c1cccc(N)c1 39953804 351504672 /nfs/dbraw/zinc/50/46/72/351504672.db2.gz KXAIIQFUNBGLRH-UHFFFAOYSA-N 1 0 150.225 1.463 50 0 ADAARO CC(C)([NH3+])c1ccccc1N 39953788 351504686 /nfs/dbraw/zinc/50/46/86/351504686.db2.gz MWUKUEYFFYQSQE-UHFFFAOYSA-N 1 0 150.225 1.463 50 0 in-vitro ADAARO OC1CC[NH+](C[C@H]2CCCCO2)CC1 40161712 351504856 /nfs/dbraw/zinc/50/48/56/351504856.db2.gz TVFSRVYYZUZIBO-LLVKDONJSA-N 1 0 199.294 1.012 50 0 ADAARO OC1CC[NH+](C[C@@H]2CCCCO2)CC1 40161711 351504863 /nfs/dbraw/zinc/50/48/63/351504863.db2.gz TVFSRVYYZUZIBO-NSHDSACASA-N 1 0 199.294 1.012 50 0 ADAARO C[C@@H]1CCC[N@H+](CC(C)(C)N)C1 39958224 351504871 /nfs/dbraw/zinc/50/48/71/351504871.db2.gz UNXLSDHBHSJGNF-SECBINFHSA-N 1 0 170.300 1.456 50 0 ADAARO C[C@@H](c1ccccc1)[C@@H]([NH3+])CN 40240814 351505596 /nfs/dbraw/zinc/50/55/96/351505596.db2.gz FXLVGPWSHAUWFU-WPRPVWTQSA-N 1 0 164.252 1.076 50 0 ADAARO c1ccc(OC[C@H]2CCC[NH2+]C2)nc1 40434930 351506540 /nfs/dbraw/zinc/50/65/40/351506540.db2.gz SNPYSAOAHLTMBK-JTQLQIEISA-N 1 0 192.262 1.460 50 0 ADAARO c1ccc(CNCC[NH2+]C2CC2)cc1 40409802 351506776 /nfs/dbraw/zinc/50/67/76/351506776.db2.gz QEQADKMMORGKNM-UHFFFAOYSA-N 1 0 190.290 1.528 50 0 ADAARO c1ccc(-c2nc3c([nH]2)C[NH2+]CC3)cc1 40434627 351506968 /nfs/dbraw/zinc/50/69/68/351506968.db2.gz QTCSWUNYWAOZHC-UHFFFAOYSA-N 1 0 199.257 1.722 50 0 in-vitro ADAARO CC(C)[N@H+](C)[C@@H]1CCC[C@H]1O 40457238 351507461 /nfs/dbraw/zinc/50/74/61/351507461.db2.gz QICMHIXVJKONJL-RKDXNWHRSA-N 1 0 157.257 1.240 50 0 ADAARO C1C[NH2+]CC2(C1)CCOCC2 40457318 351507670 /nfs/dbraw/zinc/50/76/70/351507670.db2.gz YOKJEAIVPCOLMU-UHFFFAOYSA-N 1 0 155.241 1.167 50 0 in-vitro ADAARO CCC[N@H+](CC)[C@@H]1CCC[C@H]1O 40457239 351507729 /nfs/dbraw/zinc/50/77/29/351507729.db2.gz GNIKGZQDOPEAGI-NXEZZACHSA-N 1 0 171.284 1.632 50 0 ADAARO C[C@@H]1CCCCN1C(=O)C(C)(C)[NH3+] 40912414 351513267 /nfs/dbraw/zinc/51/32/67/351513267.db2.gz ZUUKZCVAZHNSOS-MRVPVSSYSA-N 1 0 184.283 1.125 50 0 ADAARO CC(C)([NH3+])C(=O)NCC1CCCC1 40920592 351513345 /nfs/dbraw/zinc/51/33/45/351513345.db2.gz MDHQVIPXKVGQEJ-UHFFFAOYSA-N 1 0 184.283 1.030 50 0 ADAARO C[C@@H](c1ccccc1)[C@@H](O)C[NH3+] 41046471 351514018 /nfs/dbraw/zinc/51/40/18/351514018.db2.gz XJOFUFBSSUXTFV-WPRPVWTQSA-N 1 0 165.236 1.110 50 0 ADAARO C[C@@H](c1ccccc1)[C@@H]([NH3+])CO 41046527 351514179 /nfs/dbraw/zinc/51/41/79/351514179.db2.gz ZRYLDRWRFLVIDB-WPRPVWTQSA-N 1 0 165.236 1.110 50 0 in-vitro ADAARO OC[C@@H]([NH2+]Cc1ccccc1)C1CC1 41047670 351514382 /nfs/dbraw/zinc/51/43/82/351514382.db2.gz DZDKMEPDTJSHHN-GFCCVEGCSA-N 1 0 191.274 1.547 50 0 in-vitro ADAARO OC[C@H]([NH2+]Cc1ccccc1)C1CC1 41047669 351514645 /nfs/dbraw/zinc/51/46/45/351514645.db2.gz DZDKMEPDTJSHHN-LBPRGKRZSA-N 1 0 191.274 1.547 50 0 in-vitro ADAARO C[C@@H](c1ccccc1)[C@H]([NH3+])CO 41046525 351514720 /nfs/dbraw/zinc/51/47/20/351514720.db2.gz ZRYLDRWRFLVIDB-WCBMZHEXSA-N 1 0 165.236 1.110 50 0 in-vitro ADAARO CC[C@@H](C)[N@@H+]1CCNC[C@@H]1C 41167317 351517217 /nfs/dbraw/zinc/51/72/17/351517217.db2.gz LFQMHTLYWHHVFZ-BDAKNGLRSA-N 1 0 156.273 1.079 50 0 ADAARO C[C@@H]1CNCC[N@@H+]1C1CCCC1 41168204 351516964 /nfs/dbraw/zinc/51/69/64/351516964.db2.gz ASZIXIGBMYHICX-SECBINFHSA-N 1 0 168.284 1.223 50 0 ADAARO O[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 41199765 351517230 /nfs/dbraw/zinc/51/72/30/351517230.db2.gz PGLMKGJYYTZRJY-GHMZBOCLSA-N 1 0 177.247 1.472 50 0 in-vitro ADAARO O[C@H]1CC[NH2+][C@H](c2ccccc2)C1 41199768 351517556 /nfs/dbraw/zinc/51/75/56/351517556.db2.gz PGLMKGJYYTZRJY-QWRGUYRKSA-N 1 0 177.247 1.472 50 0 in-vitro ADAARO O[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 41199771 351517683 /nfs/dbraw/zinc/51/76/83/351517683.db2.gz PGLMKGJYYTZRJY-WDEREUQCSA-N 1 0 177.247 1.472 50 0 in-vitro ADAARO CC(C)C[NH2+]CCN1CCCCC1 41202828 351517735 /nfs/dbraw/zinc/51/77/35/351517735.db2.gz RUPGFPVUWHFJGH-UHFFFAOYSA-N 1 0 184.327 1.718 50 0 ADAARO CC(C)C[NH+](CC(C)C)C[C@H](C)O 42034413 351520090 /nfs/dbraw/zinc/52/00/90/351520090.db2.gz OSOTYTMWGWUQOX-NSHDSACASA-N 1 0 187.327 1.981 50 0 ADAARO CC(C)C(=O)OCCC1CC[NH2+]CC1 42769034 351523727 /nfs/dbraw/zinc/52/37/27/351523727.db2.gz GDKXQIBWVNFHSB-UHFFFAOYSA-N 1 0 199.294 1.575 50 0 ADAARO CC(C)C(=O)OCC[C@H]1CCCC[NH2+]1 42769054 351523785 /nfs/dbraw/zinc/52/37/85/351523785.db2.gz OQBYPMRXJFLUJU-SNVBAGLBSA-N 1 0 199.294 1.718 50 0 ADAARO CC(C)C(=O)OC[C@@H]1CCC[NH2+]C1 42769019 351524215 /nfs/dbraw/zinc/52/42/15/351524215.db2.gz BTGQTHCWUANBOH-SECBINFHSA-N 1 0 185.267 1.185 50 0 ADAARO CC(C)C(=O)OCC[C@@H]1CCCC[NH2+]1 42769049 351524379 /nfs/dbraw/zinc/52/43/79/351524379.db2.gz OQBYPMRXJFLUJU-JTQLQIEISA-N 1 0 199.294 1.718 50 0 ADAARO CC(C)C(=O)OCC1CC[NH2+]CC1 42769029 351524400 /nfs/dbraw/zinc/52/44/00/351524400.db2.gz HOOJFDHGMCPIEM-UHFFFAOYSA-N 1 0 185.267 1.185 50 0 ADAARO CC(C)C(=O)OCC[C@H]1CCC[NH2+]C1 42769044 351524403 /nfs/dbraw/zinc/52/44/03/351524403.db2.gz KRJZJJBYNZEEHC-SNVBAGLBSA-N 1 0 199.294 1.575 50 0 ADAARO CC(C)C(=O)OCC[C@@H]1CCC[NH2+]C1 42769039 351524483 /nfs/dbraw/zinc/52/44/83/351524483.db2.gz KRJZJJBYNZEEHC-JTQLQIEISA-N 1 0 199.294 1.575 50 0 ADAARO CC(C)C(=O)OC[C@H]1CCC[NH2+]C1 42769024 351524490 /nfs/dbraw/zinc/52/44/90/351524490.db2.gz BTGQTHCWUANBOH-VIFPVBQESA-N 1 0 185.267 1.185 50 0 ADAARO C[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 42783299 351524706 /nfs/dbraw/zinc/52/47/06/351524706.db2.gz XDYHGXBDWIRBKU-NXEZZACHSA-N 1 0 168.284 1.223 50 0 ADAARO CC(C)CC(=O)OC[C@@H]1CCC[NH2+]C1 42769102 351524796 /nfs/dbraw/zinc/52/47/96/351524796.db2.gz UWPODPKQIQBCKN-SNVBAGLBSA-N 1 0 199.294 1.575 50 0 ADAARO c1ccc(COC[C@@H]2CC[NH2+]2)cc1 42784305 351524918 /nfs/dbraw/zinc/52/49/18/351524918.db2.gz IMXORLHSVQERNS-NSHDSACASA-N 1 0 177.247 1.565 50 0 ADAARO c1ccc(COC[C@H]2CC[NH2+]2)cc1 42784306 351524965 /nfs/dbraw/zinc/52/49/65/351524965.db2.gz IMXORLHSVQERNS-LLVKDONJSA-N 1 0 177.247 1.565 50 0 ADAARO CC(C)CC(=O)OCC1CC[NH2+]CC1 42769112 351524979 /nfs/dbraw/zinc/52/49/79/351524979.db2.gz YUQFCXWPBJHQDF-UHFFFAOYSA-N 1 0 199.294 1.575 50 0 ADAARO c1ccc(COCC2C[NH2+]C2)cc1 42784296 351524994 /nfs/dbraw/zinc/52/49/94/351524994.db2.gz XHFBFJMIBLNOOH-UHFFFAOYSA-N 1 0 177.247 1.423 50 0 ADAARO CC(C)CC(=O)OC[C@H]1CCC[NH2+]C1 42769107 351524997 /nfs/dbraw/zinc/52/49/97/351524997.db2.gz UWPODPKQIQBCKN-JTQLQIEISA-N 1 0 199.294 1.575 50 0 ADAARO c1ccc(OCCOC2C[NH2+]C2)cc1 42769733 351525010 /nfs/dbraw/zinc/52/50/10/351525010.db2.gz NWAPGELSMDJYAR-UHFFFAOYSA-N 1 0 193.246 1.054 50 0 ADAARO CC(C)CC(=O)OC[C@H]1CC[NH2+]C1 42769146 351525058 /nfs/dbraw/zinc/52/50/58/351525058.db2.gz BTTIZPSCSPQVDL-VIFPVBQESA-N 1 0 185.267 1.185 50 0 ADAARO CC(C)CCOC[C@@H]1CC[NH2+]C1 42771716 351525073 /nfs/dbraw/zinc/52/50/73/351525073.db2.gz YJIXVJFRKWRIAI-SNVBAGLBSA-N 1 0 171.284 1.659 50 0 ADAARO CC(C)CC(=O)OC1CC[NH2+]CC1 42769093 351525152 /nfs/dbraw/zinc/52/51/52/351525152.db2.gz GMDARPDBVHCRNV-UHFFFAOYSA-N 1 0 185.267 1.328 50 0 ADAARO c1ccc2c(c1)CCN2[C@@H]1CC[NH2+]C1 42783319 351525185 /nfs/dbraw/zinc/52/51/85/351525185.db2.gz JKBAGAWGEBVIQE-LLVKDONJSA-N 1 0 188.274 1.411 50 0 in-vitro ADAARO c1ccc2c(c1)CCN2[C@H]1CC[NH2+]C1 42783320 351525310 /nfs/dbraw/zinc/52/53/10/351525310.db2.gz JKBAGAWGEBVIQE-NSHDSACASA-N 1 0 188.274 1.411 50 0 in-vitro ADAARO CCOc1cccc(OC2C[NH2+]C2)c1 42770070 351525345 /nfs/dbraw/zinc/52/53/45/351525345.db2.gz UMZSJTVTLZVCCJ-UHFFFAOYSA-N 1 0 193.246 1.436 50 0 in-vitro ADAARO CC(C)CC(=O)O[C@H]1CCC[NH2+]C1 42769088 351525390 /nfs/dbraw/zinc/52/53/90/351525390.db2.gz GQAFJHZXRSUJCA-VIFPVBQESA-N 1 0 185.267 1.328 50 0 ADAARO c1cc2c(cc1OC1C[NH2+]C1)CCC2 42770025 351525490 /nfs/dbraw/zinc/52/54/90/351525490.db2.gz GTVNJUMCQWMCJW-UHFFFAOYSA-N 1 0 189.258 1.526 50 0 in-vitro ADAARO CC(C)CCOC1C[NH2+]C1 42769755 351525533 /nfs/dbraw/zinc/52/55/33/351525533.db2.gz AALWIFFNQKVWPA-UHFFFAOYSA-N 1 0 143.230 1.021 50 0 ADAARO c1cncc(OC[C@H]2CC[NH2+]C2)c1 42773388 351525516 /nfs/dbraw/zinc/52/55/16/351525516.db2.gz OAZQSYSKYUIZPN-VIFPVBQESA-N 1 0 178.235 1.070 50 0 ADAARO CCOc1ccccc1OC1C[NH2+]C1 42769873 351525550 /nfs/dbraw/zinc/52/55/50/351525550.db2.gz ZWADUXSAJCDZOR-UHFFFAOYSA-N 1 0 193.246 1.436 50 0 ADAARO CC(C)CCOC[C@H]1CC[NH2+]C1 42771719 351525582 /nfs/dbraw/zinc/52/55/82/351525582.db2.gz YJIXVJFRKWRIAI-JTQLQIEISA-N 1 0 171.284 1.659 50 0 ADAARO c1ccc(-[n+]2cn3c(n2)CCC3)cc1 43220854 351525991 /nfs/dbraw/zinc/52/59/91/351525991.db2.gz IMYJHZSCOLZFAN-UHFFFAOYSA-N 1 0 186.238 1.106 50 0 ADAARO CN1C[C@@](C)([NH+](C)C)CCC=CC1=O 43214853 351526107 /nfs/dbraw/zinc/52/61/07/351526107.db2.gz ZMGOZJZCIKBNLJ-NSHDSACASA-N 1 0 196.294 1.115 50 0 ADAARO C[C@@H](c1nccs1)N1CC[NH2+]CC1 43220349 351526252 /nfs/dbraw/zinc/52/62/52/351526252.db2.gz SMEYOPZGSIPUGP-QMMMGPOBSA-N 1 0 197.307 1.109 50 0 in-vitro ADAARO c1csc(N2CC[NH2+]CC2)c1 43461275 351527403 /nfs/dbraw/zinc/52/74/03/351527403.db2.gz ANGVDUJFWRWPCE-UHFFFAOYSA-N 1 0 168.265 1.158 50 0 ADAARO c1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 43323751 351527872 /nfs/dbraw/zinc/52/78/72/351527872.db2.gz ONMQJOUYBLBFBI-GFCCVEGCSA-N 1 0 190.290 1.528 50 0 in-vitro ADAARO c1ccc(CN[C@H]2CCC[NH2+]C2)cc1 43323753 351527963 /nfs/dbraw/zinc/52/79/63/351527963.db2.gz ONMQJOUYBLBFBI-LBPRGKRZSA-N 1 0 190.290 1.528 50 0 in-vitro ADAARO C[C@@H]1Oc2c(F)cccc2[C@H]1[NH3+] 43633346 351532591 /nfs/dbraw/zinc/53/25/91/351532591.db2.gz MFQGCMOGPFGQFI-XNCJUZBTSA-N 1 0 167.183 1.606 50 0 in-vitro ADAARO CCSC[C@@H]1CCC[NH2+]1 43497256 351528725 /nfs/dbraw/zinc/52/87/25/351528725.db2.gz VTQNQOVLTIJFSH-ZETCQYMHSA-N 1 0 145.271 1.492 50 0 ADAARO Cc1cc(C)n(C[C@@H]2CCCC[NH2+]2)n1 43494227 351528408 /nfs/dbraw/zinc/52/84/08/351528408.db2.gz MKEUMBYEBAKUBA-NSHDSACASA-N 1 0 193.294 1.642 50 0 in-vitro ADAARO c1cnn(C[C@@H]2CCCC[NH2+]2)c1 43494205 351528466 /nfs/dbraw/zinc/52/84/66/351528466.db2.gz ATBQLWNPIRCSIQ-VIFPVBQESA-N 1 0 165.240 1.025 50 0 in-vitro ADAARO c1cnn(C[C@H]2CCCC[NH2+]2)c1 43494207 351528502 /nfs/dbraw/zinc/52/85/02/351528502.db2.gz ATBQLWNPIRCSIQ-SECBINFHSA-N 1 0 165.240 1.025 50 0 in-vitro ADAARO CC(C)SC[C@H]1CCC[NH2+]1 43497432 351528819 /nfs/dbraw/zinc/52/88/19/351528819.db2.gz GPDNIOBZEIZVJS-MRVPVSSYSA-N 1 0 159.298 1.880 50 0 ADAARO CCc1nccn1CC1CC[NH2+]CC1 43497871 351528551 /nfs/dbraw/zinc/52/85/51/351528551.db2.gz AEDQWEJVTQRRII-UHFFFAOYSA-N 1 0 193.294 1.445 50 0 ADAARO Cc1cnn(CC2CC[NH2+]CC2)c1 43497850 351528590 /nfs/dbraw/zinc/52/85/90/351528590.db2.gz PZPOBTXTOJZDGR-UHFFFAOYSA-N 1 0 179.267 1.191 50 0 in-vitro ADAARO Cc1cc(C)n(C[C@H]2CCC[NH2+]2)n1 43495990 351528612 /nfs/dbraw/zinc/52/86/12/351528612.db2.gz ZIPVDZPXJYBWLK-SNVBAGLBSA-N 1 0 179.267 1.252 50 0 ADAARO c1ccc(SC[C@H]2CCC[NH2+]2)nc1 43497238 351528716 /nfs/dbraw/zinc/52/87/16/351528716.db2.gz XTFVPDZFDWIBDZ-SECBINFHSA-N 1 0 194.303 1.926 50 0 ADAARO Cc1cc(C)n(C[C@@H]2CCC[NH2+]2)n1 43495987 351528827 /nfs/dbraw/zinc/52/88/27/351528827.db2.gz ZIPVDZPXJYBWLK-JTQLQIEISA-N 1 0 179.267 1.252 50 0 ADAARO CC(C)c1nccn1C[C@H]1CCC[NH2+]1 43496029 351528836 /nfs/dbraw/zinc/52/88/36/351528836.db2.gz UJQJZRYIEHNFAL-SNVBAGLBSA-N 1 0 193.294 1.759 50 0 in-vitro ADAARO CCSC[C@@H]1CCC[NH2+]C1 43471691 351528851 /nfs/dbraw/zinc/52/88/51/351528851.db2.gz HTYVTDHPGHGQFE-MRVPVSSYSA-N 1 0 159.298 1.739 50 0 ADAARO Cc1nc(C)n(C[C@@H]2CCCC[NH2+]2)n1 43494384 351528873 /nfs/dbraw/zinc/52/88/73/351528873.db2.gz INDKHEXXHYDJLL-JTQLQIEISA-N 1 0 194.282 1.037 50 0 in-vitro ADAARO CC(C)c1nccn1C[C@@H]1CCC[NH2+]1 43496026 351528884 /nfs/dbraw/zinc/52/88/84/351528884.db2.gz UJQJZRYIEHNFAL-JTQLQIEISA-N 1 0 193.294 1.759 50 0 in-vitro ADAARO CC(C)SC[C@@H]1CCC[NH2+]1 43497428 351528910 /nfs/dbraw/zinc/52/89/10/351528910.db2.gz GPDNIOBZEIZVJS-QMMMGPOBSA-N 1 0 159.298 1.880 50 0 ADAARO CCSC[C@H]1CCC[NH2+]1 43497259 351528918 /nfs/dbraw/zinc/52/89/18/351528918.db2.gz VTQNQOVLTIJFSH-SSDOTTSWSA-N 1 0 145.271 1.492 50 0 ADAARO Cc1cc(C)n(CC2CC[NH2+]CC2)n1 43497802 351528929 /nfs/dbraw/zinc/52/89/29/351528929.db2.gz PUYJMVKFIFCPIB-UHFFFAOYSA-N 1 0 193.294 1.500 50 0 in-vitro ADAARO CCSC[C@H]1CCCC[NH2+]1 43495284 351528956 /nfs/dbraw/zinc/52/89/56/351528956.db2.gz HPUFDZUYROBFLB-MRVPVSSYSA-N 1 0 159.298 1.882 50 0 ADAARO CCSC[C@H]1CCC[NH2+]C1 43471692 351528988 /nfs/dbraw/zinc/52/89/88/351528988.db2.gz HTYVTDHPGHGQFE-QMMMGPOBSA-N 1 0 159.298 1.739 50 0 ADAARO CCS[C@H](C)C(N)=[NH2+] 43516464 351529642 /nfs/dbraw/zinc/52/96/42/351529642.db2.gz KAOLUAQQLWVMDE-SCSAIBSYSA-N 1 0 132.232 1.064 50 0 ADAARO CC(C)SC1CC[NH2+]CC1 43501286 351529821 /nfs/dbraw/zinc/52/98/21/351529821.db2.gz DDFLPQUWAAQVNB-UHFFFAOYSA-N 1 0 159.298 1.880 50 0 ADAARO CCS[C@@H](C)C(N)=[NH2+] 43516463 351529828 /nfs/dbraw/zinc/52/98/28/351529828.db2.gz KAOLUAQQLWVMDE-BYPYZUCNSA-N 1 0 132.232 1.064 50 0 ADAARO C[C@@H]1Oc2c(F)cccc2[C@@H]1[NH3+] 43633349 351532001 /nfs/dbraw/zinc/53/20/01/351532001.db2.gz MFQGCMOGPFGQFI-YLWLKBPMSA-N 1 0 167.183 1.606 50 0 in-vitro ADAARO C[C@@H]1Oc2ccccc2[C@H]1[NH3+] 43633471 351532110 /nfs/dbraw/zinc/53/21/10/351532110.db2.gz NGAXPFVLTBQIDM-RCOVLWMOSA-N 1 0 149.193 1.467 50 0 ADAARO C[C@@H]1Oc2ccccc2[C@@H]1[NH3+] 43633475 351532281 /nfs/dbraw/zinc/53/22/81/351532281.db2.gz NGAXPFVLTBQIDM-IMTBSYHQSA-N 1 0 149.193 1.467 50 0 ADAARO OC[C@H]1CC[N@@H+]1Cc1ccccc1 44185024 351536435 /nfs/dbraw/zinc/53/64/35/351536435.db2.gz RPRDXAKZYYOKSG-LLVKDONJSA-N 1 0 177.247 1.253 50 0 in-vitro ADAARO OC[C@@H]1CC[N@@H+]1Cc1ccccc1 44185028 351536504 /nfs/dbraw/zinc/53/65/04/351536504.db2.gz RPRDXAKZYYOKSG-NSHDSACASA-N 1 0 177.247 1.253 50 0 in-vitro ADAARO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH3+] 44184708 351536725 /nfs/dbraw/zinc/53/67/25/351536725.db2.gz NFZIZQCPMPUVFT-ZYHUDNBSSA-N 1 0 190.290 1.466 50 0 ADAARO CC(C)COC[C@@H]([NH3+])c1ccco1 47844096 351545834 /nfs/dbraw/zinc/54/58/34/351545834.db2.gz AHQGMMIEDOQDHN-SECBINFHSA-N 1 0 183.251 1.952 50 0 in-vitro ADAARO CC[C@@H](C)Oc1cc(C[NH3+])ccn1 48263499 351546072 /nfs/dbraw/zinc/54/60/72/351546072.db2.gz GKQRPDYZKWKDRW-MRVPVSSYSA-N 1 0 180.251 1.718 50 0 in-vitro ADAARO CC(C)COC[C@H]([NH3+])c1ccco1 47844095 351546330 /nfs/dbraw/zinc/54/63/30/351546330.db2.gz AHQGMMIEDOQDHN-VIFPVBQESA-N 1 0 183.251 1.952 50 0 in-vitro ADAARO OCC[C@@]1(c2ccccc2)CC[NH2+]C1 49587173 351547462 /nfs/dbraw/zinc/54/74/62/351547462.db2.gz JBGZJQULYGMJGT-LBPRGKRZSA-N 1 0 191.274 1.300 50 0 ADAARO Cc1ccc(N2CC[C@H]([NH3+])C2=O)cc1 49647931 351548516 /nfs/dbraw/zinc/54/85/16/351548516.db2.gz DDDBJBMOAQKYFZ-JTQLQIEISA-N 1 0 190.246 1.059 50 0 in-vitro ADAARO Cc1ccc(N2CC[C@@H]([NH3+])C2=O)cc1 49647932 351549074 /nfs/dbraw/zinc/54/90/74/351549074.db2.gz DDDBJBMOAQKYFZ-SNVBAGLBSA-N 1 0 190.246 1.059 50 0 in-vitro ADAARO CC(C)C[N@@H+]1CCC[C@H](O)C1 49934090 351550711 /nfs/dbraw/zinc/55/07/11/351550711.db2.gz RQNTUABQBSMZDQ-VIFPVBQESA-N 1 0 157.257 1.099 50 0 ADAARO CC(C)C[N@@H+]1CCC[C@@H](O)C1 49934091 351550780 /nfs/dbraw/zinc/55/07/80/351550780.db2.gz RQNTUABQBSMZDQ-SECBINFHSA-N 1 0 157.257 1.099 50 0 ADAARO c1cc([C@H]2C[NH2+]CCO2)cs1 50339934 351553433 /nfs/dbraw/zinc/55/34/33/351553433.db2.gz PVFVGKBTMYLHRE-MRVPVSSYSA-N 1 0 169.249 1.409 50 0 ADAARO C[C@@](O)(C[NH3+])c1cccc(Cl)c1 50093771 351551877 /nfs/dbraw/zinc/55/18/77/351551877.db2.gz KIFVYNJHKVIKES-SECBINFHSA-N 1 0 185.654 1.506 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]C[C@@H](c2ccsc2)O1 50339964 351553438 /nfs/dbraw/zinc/55/34/38/351553438.db2.gz WVKONACANKCVGD-APPZFPTMSA-N 1 0 183.276 1.798 50 0 ADAARO CC[C@@H](C)OC(=O)CCC(C)(C)[NH3+] 50197392 351552073 /nfs/dbraw/zinc/55/20/73/351552073.db2.gz NKTHRGOFVWTGHC-MRVPVSSYSA-N 1 0 187.283 1.846 50 0 in-vitro ADAARO C[C@@](O)(C[NH3+])c1ccccc1Cl 50093773 351552173 /nfs/dbraw/zinc/55/21/73/351552173.db2.gz SYNCFXLWOOEJGK-SECBINFHSA-N 1 0 185.654 1.506 50 0 in-vitro ADAARO c1cc([C@@H]2C[NH2+]CCO2)cs1 50339933 351553049 /nfs/dbraw/zinc/55/30/49/351553049.db2.gz PVFVGKBTMYLHRE-QMMMGPOBSA-N 1 0 169.249 1.409 50 0 ADAARO C[C@@H]1C[NH2+]C[C@H](c2ccsc2)O1 50339958 351553169 /nfs/dbraw/zinc/55/31/69/351553169.db2.gz WVKONACANKCVGD-VXNVDRBHSA-N 1 0 183.276 1.798 50 0 ADAARO c1ccc2c(c1)ncn2[C@H]1CC[NH2+]C1 51783681 351558882 /nfs/dbraw/zinc/55/88/82/351558882.db2.gz MAECDRNAUKPMLA-VIFPVBQESA-N 1 0 187.246 1.571 50 0 in-vitro ADAARO CC[C@@H](C)[C@H]1CC[NH2+]C1 51690708 351558943 /nfs/dbraw/zinc/55/89/43/351558943.db2.gz AEDQACYVUCFJMC-SFYZADRCSA-N 1 0 127.231 1.642 50 0 ADAARO c1ccc(S[C@@H]2CC[NH2+]C2)nc1 51784032 351559250 /nfs/dbraw/zinc/55/92/50/351559250.db2.gz PHMXZEABNWVEER-MRVPVSSYSA-N 1 0 180.276 1.536 50 0 ADAARO c1ccc2c(c1)cnn2[C@@H]1CC[NH2+]C1 51783778 351559274 /nfs/dbraw/zinc/55/92/74/351559274.db2.gz QOPKGPZIDCLFFF-SNVBAGLBSA-N 1 0 187.246 1.571 50 0 in-vitro ADAARO c1ccc2c(c1)cnn2[C@H]1CC[NH2+]C1 51783779 351559384 /nfs/dbraw/zinc/55/93/84/351559384.db2.gz QOPKGPZIDCLFFF-JTQLQIEISA-N 1 0 187.246 1.571 50 0 in-vitro ADAARO CCOc1cccc(OCC[NH3+])c1 51845351 351559879 /nfs/dbraw/zinc/55/98/79/351559879.db2.gz KZSGMQUQZQZSKC-UHFFFAOYSA-N 1 0 181.235 1.423 50 0 ADAARO c1nc(COC[C@H]2CC[NH2+]C2)cs1 51888123 351560049 /nfs/dbraw/zinc/56/00/49/351560049.db2.gz WXDLOWXXTGAVSQ-QMMMGPOBSA-N 1 0 198.291 1.269 50 0 ADAARO c1cc(OC[C@@H]2CCC[NH2+]C2)ccn1 51882985 351560300 /nfs/dbraw/zinc/56/03/00/351560300.db2.gz JDYQCHPVLFATDL-SNVBAGLBSA-N 1 0 192.262 1.460 50 0 ADAARO c1cc(OC[C@H]2CCC[NH2+]C2)ccn1 51882986 351560347 /nfs/dbraw/zinc/56/03/47/351560347.db2.gz JDYQCHPVLFATDL-JTQLQIEISA-N 1 0 192.262 1.460 50 0 ADAARO CCOc1cccc(OCCC[NH3+])c1 51845826 351560568 /nfs/dbraw/zinc/56/05/68/351560568.db2.gz SAOYYEUSDZPTGJ-UHFFFAOYSA-N 1 0 195.262 1.813 50 0 ADAARO c1csc(OCC2CC[NH2+]CC2)n1 51869880 351560708 /nfs/dbraw/zinc/56/07/08/351560708.db2.gz LATZTKNZYIUTMO-UHFFFAOYSA-N 1 0 198.291 1.522 50 0 ADAARO C[C@@H]1[NH2+]CC[C@H]1C 51953873 351561134 /nfs/dbraw/zinc/56/11/34/351561134.db2.gz ZKCLHJUZGZWTNA-RITPCOANSA-N 1 0 99.177 1.004 50 0 in-vitro ADAARO C[C@@H]1[NH2+]CCC1(C)C 51955537 351561454 /nfs/dbraw/zinc/56/14/54/351561454.db2.gz SGVPYTKLHWHYIC-LURJTMIESA-N 1 0 113.204 1.394 50 0 ADAARO C[C@@H]1Cc2ccc(F)cc2C[NH2+]1 52095247 351562631 /nfs/dbraw/zinc/56/26/31/351562631.db2.gz XSYJLSHTQMENQP-SSDOTTSWSA-N 1 0 165.211 1.860 50 0 ADAARO c1ccn([C@@H]2CC[NH2+]C2)c1 52094073 351563010 /nfs/dbraw/zinc/56/30/10/351563010.db2.gz PXKNZBSAJCNQBN-MRVPVSSYSA-N 1 0 136.198 1.023 50 0 ADAARO CC(C)C[C@@H]1C[C@H]1[NH3+] 52126366 351563353 /nfs/dbraw/zinc/56/33/53/351563353.db2.gz HWXXZFHUDLOLLG-RNFRBKRXSA-N 1 0 113.204 1.380 50 0 ADAARO C[C@@H]1CNCC[N@@H+](C2CCC2)C1 52213796 351564864 /nfs/dbraw/zinc/56/48/64/351564864.db2.gz NWDAHVJVGDJIDT-SECBINFHSA-N 1 0 168.284 1.080 50 0 in-vitro ADAARO CC(C)C[NH2+]Cc1cncs1 52331706 351567427 /nfs/dbraw/zinc/56/74/27/351567427.db2.gz XJWMCUSSLRMPTO-UHFFFAOYSA-N 1 0 170.281 1.889 50 0 ADAARO C[C@@H]1CCC[C@H](NC(N)=[NH2+])[C@@H]1C 53278609 351569957 /nfs/dbraw/zinc/56/99/57/351569957.db2.gz WKZQSPQMDKGHLK-PRJMDXOYSA-N 1 0 169.272 1.294 50 0 ADAARO [NH3+]C[C@H]1C[C@]12CCOc1ccccc12 54587334 351573478 /nfs/dbraw/zinc/57/34/78/351573478.db2.gz IVFBSXFIPLAJAP-BXKDBHETSA-N 1 0 189.258 1.686 50 0 ADAARO c1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 54498398 351573497 /nfs/dbraw/zinc/57/34/97/351573497.db2.gz QVGLYLGPFQJIBB-QMMMGPOBSA-N 1 0 192.266 1.080 50 0 ADAARO [NH3+]C[C@@H]1C[C@]12CCOc1ccccc12 54587338 351573661 /nfs/dbraw/zinc/57/36/61/351573661.db2.gz IVFBSXFIPLAJAP-JOYOIKCWSA-N 1 0 189.258 1.686 50 0 ADAARO [NH3+]C[C@H]1C[C@@]12CCOc1ccccc12 54587332 351573786 /nfs/dbraw/zinc/57/37/86/351573786.db2.gz IVFBSXFIPLAJAP-SKDRFNHKSA-N 1 0 189.258 1.686 50 0 ADAARO c1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 54498397 351574015 /nfs/dbraw/zinc/57/40/15/351574015.db2.gz QVGLYLGPFQJIBB-MRVPVSSYSA-N 1 0 192.266 1.080 50 0 ADAARO c1ccc(C[NH2+]Cc2cncnc2)cc1 54766850 351574757 /nfs/dbraw/zinc/57/47/57/351574757.db2.gz FOIOEGHMVNEGRS-UHFFFAOYSA-N 1 0 199.257 1.766 50 0 ADAARO c1coc(CSC2C[NH2+]C2)c1 54931786 351576320 /nfs/dbraw/zinc/57/63/20/351576320.db2.gz XNQSQHQESQVXJQ-UHFFFAOYSA-N 1 0 169.249 1.485 50 0 ADAARO c1ccc(SC2C[NH2+]C2)cc1 54931745 351576324 /nfs/dbraw/zinc/57/63/24/351576324.db2.gz BXRNMYSXQDTKJY-UHFFFAOYSA-N 1 0 165.261 1.751 50 0 ADAARO c1cc2c(s1)CCN(C1C[NH2+]C1)C2 54931568 351576479 /nfs/dbraw/zinc/57/64/79/351576479.db2.gz FKJIMMSAIPAQLI-UHFFFAOYSA-N 1 0 194.303 1.078 50 0 ADAARO c1ccc(SC2C[NH2+]C2)nc1 54931775 351576508 /nfs/dbraw/zinc/57/65/08/351576508.db2.gz IIUSWYQEIZHMOS-UHFFFAOYSA-N 1 0 166.249 1.146 50 0 ADAARO CC(C)CSC1C[NH2+]C1 54931785 351576715 /nfs/dbraw/zinc/57/67/15/351576715.db2.gz OIFOUXZMBJYCLO-UHFFFAOYSA-N 1 0 145.271 1.347 50 0 ADAARO c1ccc(NC[C@@H]2CC[NH2+]C2)nc1 57217707 351577619 /nfs/dbraw/zinc/57/76/19/351577619.db2.gz SHHXEJVQQWFIPM-SECBINFHSA-N 1 0 177.251 1.103 50 0 in-vitro ADAARO c1ccc(NC[C@H]2CC[NH2+]C2)nc1 57217708 351577668 /nfs/dbraw/zinc/57/76/68/351577668.db2.gz SHHXEJVQQWFIPM-VIFPVBQESA-N 1 0 177.251 1.103 50 0 in-vitro ADAARO C[C@@](O)(C[NH3+])c1ccc(F)cc1F 55032638 351577696 /nfs/dbraw/zinc/57/76/96/351577696.db2.gz HKPYTXVVEVMTAY-SECBINFHSA-N 1 0 187.189 1.131 50 0 in-vitro ADAARO C[C@@](O)(C1CC[NH2+]CC1)C(F)(F)F 57219138 351578401 /nfs/dbraw/zinc/57/84/01/351578401.db2.gz CLMDMJJVIPEREU-SSDOTTSWSA-N 1 0 197.200 1.299 50 0 in-vitro ADAARO O[C@@H]([C@H]1CCCC[NH2+]1)C(F)(F)F 57219158 351578463 /nfs/dbraw/zinc/57/84/63/351578463.db2.gz BPFMROPVHHAXCC-RITPCOANSA-N 1 0 183.173 1.052 50 0 in-vitro ADAARO O[C@@H]([C@@H]1CCCC[NH2+]1)C(F)(F)F 57219157 351578663 /nfs/dbraw/zinc/57/86/63/351578663.db2.gz BPFMROPVHHAXCC-WDSKDSINSA-N 1 0 183.173 1.052 50 0 in-vitro ADAARO O[C@H]([C@H]1CCCC[NH2+]1)C(F)(F)F 57219161 351578754 /nfs/dbraw/zinc/57/87/54/351578754.db2.gz BPFMROPVHHAXCC-PHDIDXHHSA-N 1 0 183.173 1.052 50 0 in-vitro ADAARO C[C@@H]1COC2(CCCC2)C[NH2+]1 57935321 351579749 /nfs/dbraw/zinc/57/97/49/351579749.db2.gz WXJWYVXLSWTVJQ-MRVPVSSYSA-N 1 0 155.241 1.308 50 0 ADAARO C[C@@H]1COCC[N@@H+]1Cc1ccccc1 58210011 351579966 /nfs/dbraw/zinc/57/99/66/351579966.db2.gz GXNBKAFYCHTQPI-LLVKDONJSA-N 1 0 191.274 1.907 50 0 ADAARO C[C@@H]1CCC[C@@H]([NH3+])CC1 60311030 351582507 /nfs/dbraw/zinc/58/25/07/351582507.db2.gz SFEOFFIWPWOBFJ-HTQZYQBOSA-N 1 0 127.231 1.914 50 0 in-vitro ADAARO CC(C)CC1(C[NH3+])CCOCC1 61673915 351583323 /nfs/dbraw/zinc/58/33/23/351583323.db2.gz BJIXKMWYPHKJCN-UHFFFAOYSA-N 1 0 171.284 1.788 50 0 ADAARO CCS[C@@H]1CCCC[NH2+]C1 62152025 351585968 /nfs/dbraw/zinc/58/59/68/351585968.db2.gz RJVUDYKKQNLPNU-MRVPVSSYSA-N 1 0 159.298 1.882 50 0 in-vitro ADAARO CCS[C@H]1CCCC[NH2+]C1 62152026 351586160 /nfs/dbraw/zinc/58/61/60/351586160.db2.gz RJVUDYKKQNLPNU-QMMMGPOBSA-N 1 0 159.298 1.882 50 0 in-vitro ADAARO c1ccc(C[C@H]2[NH2+]CCCO2)cc1 62152583 351586250 /nfs/dbraw/zinc/58/62/50/351586250.db2.gz NUABBZBIWFYJSF-NSHDSACASA-N 1 0 177.247 1.565 50 0 ADAARO c1ccc2c(c1)CC[C@]21C[NH2+]CCO1 62152420 351586350 /nfs/dbraw/zinc/58/63/50/351586350.db2.gz NUSTUPVYQBHZNZ-LBPRGKRZSA-N 1 0 189.258 1.448 50 0 in-vitro ADAARO c1ccc2c(c1)CC[C@@]21C[NH2+]CCO1 62152419 351586507 /nfs/dbraw/zinc/58/65/07/351586507.db2.gz NUSTUPVYQBHZNZ-GFCCVEGCSA-N 1 0 189.258 1.448 50 0 in-vitro ADAARO C[C@@H]1CN(C)c2ccccc2C[NH2+]1 62566790 351587989 /nfs/dbraw/zinc/58/79/89/351587989.db2.gz KIHICTSKWSTHEQ-SECBINFHSA-N 1 0 176.263 1.615 50 0 ADAARO O[C@@]1(C(F)(F)F)CCC[NH2+]CC1 62716638 351588838 /nfs/dbraw/zinc/58/88/38/351588838.db2.gz IPDHAFJZFXZXST-LURJTMIESA-N 1 0 183.173 1.053 50 0 in-vitro ADAARO CCSC[C@@H]([NH2+]C)C1CC1 81826091 351634099 /nfs/dbraw/zinc/63/40/99/351634099.db2.gz VMSKUNNVUGXIMQ-MRVPVSSYSA-N 1 0 159.298 1.738 50 0 ADAARO O[C@]1(C(F)(F)F)CCC[NH2+]CC1 62716637 351589028 /nfs/dbraw/zinc/58/90/28/351589028.db2.gz IPDHAFJZFXZXST-ZCFIWIBFSA-N 1 0 183.173 1.053 50 0 in-vitro ADAARO O[C@@]1(c2ccccc2)CCC[NH2+]CC1 62716693 351589626 /nfs/dbraw/zinc/58/96/26/351589626.db2.gz GZMDKKZLUIYOFP-LBPRGKRZSA-N 1 0 191.274 1.648 50 0 ADAARO O[C@]1(c2ccccc2)CCC[NH2+]CC1 62716694 351589737 /nfs/dbraw/zinc/58/97/37/351589737.db2.gz GZMDKKZLUIYOFP-GFCCVEGCSA-N 1 0 191.274 1.648 50 0 ADAARO C[C@@](O)(CC[NH3+])c1ccccc1 62718183 351589811 /nfs/dbraw/zinc/58/98/11/351589811.db2.gz SYNOUHHTBQKYFU-SNVBAGLBSA-N 1 0 165.236 1.243 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@@H](c2ccccc2)CO1 63003490 351590778 /nfs/dbraw/zinc/59/07/78/351590778.db2.gz NEQYKFXOOFIYJZ-MWLCHTKSSA-N 1 0 177.247 1.736 50 0 in-vitro ADAARO c1cc([C@@H]2CCC[NH2+]2)no1 66323466 351592992 /nfs/dbraw/zinc/59/29/92/351592992.db2.gz KZNBAFGPZDBPKD-LURJTMIESA-N 1 0 138.170 1.099 50 0 in-vitro ADAARO c1ccc2c(c1)CCC1(C[NH2+]C1)O2 66346333 351593023 /nfs/dbraw/zinc/59/30/23/351593023.db2.gz DBNDUWSEPSKARV-UHFFFAOYSA-N 1 0 175.231 1.354 50 0 ADAARO c1cc([C@H]2CCC[NH2+]2)no1 66323467 351593037 /nfs/dbraw/zinc/59/30/37/351593037.db2.gz KZNBAFGPZDBPKD-ZCFIWIBFSA-N 1 0 138.170 1.099 50 0 in-vitro ADAARO c1ccc2sc(C3C[NH2+]C3)nc2c1 66054572 351593339 /nfs/dbraw/zinc/59/33/39/351593339.db2.gz NLDDOQVKGDMRHM-UHFFFAOYSA-N 1 0 190.271 1.983 50 0 in-vitro ADAARO C[C@@H]1SCC[NH2+][C@@H]1C 68575852 351593933 /nfs/dbraw/zinc/59/39/33/351593933.db2.gz OSKSVESWLSCULX-RITPCOANSA-N 1 0 131.244 1.100 50 0 in-vitro ADAARO c1ccc2c(c1)C[NH2+]C[C@@H]2n1cccn1 68575688 351594306 /nfs/dbraw/zinc/59/43/06/351594306.db2.gz PBSOISQSZIYBJI-LBPRGKRZSA-N 1 0 199.257 1.576 50 0 in-vitro ADAARO c1ccc2c(c1)C[NH2+]C[C@H]2n1cccn1 68575691 351594497 /nfs/dbraw/zinc/59/44/97/351594497.db2.gz PBSOISQSZIYBJI-GFCCVEGCSA-N 1 0 199.257 1.576 50 0 in-vitro ADAARO O[C@H]1C[NH2+][C@H](c2cccc(F)c2)C1 69970757 351600829 /nfs/dbraw/zinc/60/08/29/351600829.db2.gz QOQHYYPIRCCHOK-ZJUUUORDSA-N 1 0 181.210 1.221 50 0 in-vitro ADAARO CCO[C@@H]1C[C@@H]([NH2+]C)C12CCCC2 68577414 351595052 /nfs/dbraw/zinc/59/50/52/351595052.db2.gz JWOJVXYJLYKMRD-NXEZZACHSA-N 1 0 183.295 1.944 50 0 in-vitro ADAARO CCO[C@H]1C[C@@H]([NH2+]C)C12CCCC2 68577417 351595110 /nfs/dbraw/zinc/59/51/10/351595110.db2.gz JWOJVXYJLYKMRD-ZJUUUORDSA-N 1 0 183.295 1.944 50 0 in-vitro ADAARO O[C@@H]1C[NH2+][C@H](C2CCCCC2)C1 68591779 351595177 /nfs/dbraw/zinc/59/51/77/351595177.db2.gz NWRDUJHOJAABBR-UWVGGRQHSA-N 1 0 169.268 1.290 50 0 in-vitro ADAARO CC(C)CO[C@H]1C[C@@H]([NH3+])C1(C)C 68576751 351595271 /nfs/dbraw/zinc/59/52/71/351595271.db2.gz JLXVSEZUCBIICW-BDAKNGLRSA-N 1 0 171.284 1.785 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@@H]2CCCC[C@H]12 68592264 351595472 /nfs/dbraw/zinc/59/54/72/351595472.db2.gz ZCJGZUQXRFHPQL-IWSPIJDZSA-N 1 0 139.242 1.785 50 0 in-vitro ADAARO C[C@@]([NH3+])(CO)C1CCCCC1 68577020 351595763 /nfs/dbraw/zinc/59/57/63/351595763.db2.gz QUERJNUDNIGFHV-SECBINFHSA-N 1 0 157.257 1.276 50 0 in-vitro ADAARO CCO[C@@H]1C[C@H]([NH2+]C)C12CCCC2 68577410 351595782 /nfs/dbraw/zinc/59/57/82/351595782.db2.gz JWOJVXYJLYKMRD-VHSXEESVSA-N 1 0 183.295 1.944 50 0 in-vitro ADAARO CCO[C@H]1C[C@H]([NH2+]C)C12CCCC2 68577412 351595796 /nfs/dbraw/zinc/59/57/96/351595796.db2.gz JWOJVXYJLYKMRD-UWVGGRQHSA-N 1 0 183.295 1.944 50 0 in-vitro ADAARO CCO[C@@H]1C[C@H]([NH3+])C1(C)C 68576900 351595824 /nfs/dbraw/zinc/59/58/24/351595824.db2.gz YUAPUZDWVJWNRH-NKWVEPMBSA-N 1 0 143.230 1.149 50 0 in-vitro ADAARO CCO[C@@H]1C[C@@H]([NH3+])C1(C)C 68576904 351595873 /nfs/dbraw/zinc/59/58/73/351595873.db2.gz YUAPUZDWVJWNRH-RNFRBKRXSA-N 1 0 143.230 1.149 50 0 in-vitro ADAARO CC(C)CO[C@@H]1C[C@H]([NH3+])C1(C)C 68576745 351595885 /nfs/dbraw/zinc/59/58/85/351595885.db2.gz JLXVSEZUCBIICW-DTWKUNHWSA-N 1 0 171.284 1.785 50 0 in-vitro ADAARO CC(C)CO[C@@H]1C[C@@H]([NH3+])C1(C)C 68576749 351595905 /nfs/dbraw/zinc/59/59/05/351595905.db2.gz JLXVSEZUCBIICW-RKDXNWHRSA-N 1 0 171.284 1.785 50 0 in-vitro ADAARO CC(C)CNC(=O)[C@H](C)[NH+]1CCCC1 69452651 351597365 /nfs/dbraw/zinc/59/73/65/351597365.db2.gz TWZRUMSDCYDYEN-JTQLQIEISA-N 1 0 198.310 1.243 50 0 ADAARO CC(C)CNC(=O)[C@@H](C)[NH+]1CCCC1 69452650 351597472 /nfs/dbraw/zinc/59/74/72/351597472.db2.gz TWZRUMSDCYDYEN-SNVBAGLBSA-N 1 0 198.310 1.243 50 0 ADAARO CC(C)[C@H](C)C(=O)N[C@H]1CCC[NH2+]C1 69685338 351598211 /nfs/dbraw/zinc/59/82/11/351598211.db2.gz JOEKNFKLQPWIIF-UWVGGRQHSA-N 1 0 198.310 1.147 50 0 ADAARO CC(C)[C@@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 69685331 351598257 /nfs/dbraw/zinc/59/82/57/351598257.db2.gz JOEKNFKLQPWIIF-NXEZZACHSA-N 1 0 198.310 1.147 50 0 ADAARO CC(C)n1cc(C(C)(C)[NH3+])nn1 69680449 351598344 /nfs/dbraw/zinc/59/83/44/351598344.db2.gz FYPXPUVQGHCUMR-UHFFFAOYSA-N 1 0 168.244 1.053 50 0 ADAARO CC(C)[C@@H](C)C(=O)N[C@H]1CCC[NH2+]C1 69685335 351598573 /nfs/dbraw/zinc/59/85/73/351598573.db2.gz JOEKNFKLQPWIIF-ZJUUUORDSA-N 1 0 198.310 1.147 50 0 ADAARO CC(C)[C@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 69685334 351598602 /nfs/dbraw/zinc/59/86/02/351598602.db2.gz JOEKNFKLQPWIIF-VHSXEESVSA-N 1 0 198.310 1.147 50 0 ADAARO CC(C)C(=O)c1c[nH+]ccc1N 69844574 351599973 /nfs/dbraw/zinc/59/99/73/351599973.db2.gz YWRCDZKEGISYMG-UHFFFAOYSA-N 1 0 164.208 1.503 50 0 in-vitro ADAARO O[C@H]1C[NH2+][C@@H](c2cc(F)ccc2F)C1 69970374 351600471 /nfs/dbraw/zinc/60/04/71/351600471.db2.gz NMLNIXYQBXUCPH-GMSGAONNSA-N 1 0 199.200 1.360 50 0 in-vitro ADAARO O[C@H]1C[NH2+][C@H](c2ccccc2)C1 69970587 351600523 /nfs/dbraw/zinc/60/05/23/351600523.db2.gz MDJWIDATPRVAQE-ZJUUUORDSA-N 1 0 163.220 1.082 50 0 ADAARO O[C@@H]1C[NH2+][C@H](c2cccc(F)c2)C1 69970751 351600539 /nfs/dbraw/zinc/60/05/39/351600539.db2.gz QOQHYYPIRCCHOK-UWVGGRQHSA-N 1 0 181.210 1.221 50 0 in-vitro ADAARO O[C@@H]1C[NH2+][C@H](c2ccc(F)c(F)c2)C1 69970778 351600587 /nfs/dbraw/zinc/60/05/87/351600587.db2.gz NBQMGPDYHSTPCH-XVKPBYJWSA-N 1 0 199.200 1.360 50 0 in-vitro ADAARO O[C@@H]1C[NH2+][C@H](c2ccc(F)cc2)C1 69970277 351600642 /nfs/dbraw/zinc/60/06/42/351600642.db2.gz NZZYEGHSKMJTKE-UWVGGRQHSA-N 1 0 181.210 1.221 50 0 in-vitro ADAARO O[C@H]1C[NH2+][C@@H](c2ccc(F)cc2)C1 69970285 351600690 /nfs/dbraw/zinc/60/06/90/351600690.db2.gz NZZYEGHSKMJTKE-NXEZZACHSA-N 1 0 181.210 1.221 50 0 in-vitro ADAARO O[C@H]1C[NH2+][C@@H](c2cccc(F)c2)C1 69970759 351600719 /nfs/dbraw/zinc/60/07/19/351600719.db2.gz QOQHYYPIRCCHOK-NXEZZACHSA-N 1 0 181.210 1.221 50 0 in-vitro ADAARO O[C@@H]1C[NH2+][C@H](c2ccccc2)C1 69970581 351600745 /nfs/dbraw/zinc/60/07/45/351600745.db2.gz MDJWIDATPRVAQE-UWVGGRQHSA-N 1 0 163.220 1.082 50 0 ADAARO O[C@H]1C[NH2+][C@H](c2cc(F)ccc2F)C1 69970372 351600748 /nfs/dbraw/zinc/60/07/48/351600748.db2.gz NMLNIXYQBXUCPH-XCBNKYQSSA-N 1 0 199.200 1.360 50 0 in-vitro ADAARO O[C@@H]1C[NH2+][C@@H](c2cccc(F)c2)C1 69970753 351600775 /nfs/dbraw/zinc/60/07/75/351600775.db2.gz QOQHYYPIRCCHOK-VHSXEESVSA-N 1 0 181.210 1.221 50 0 in-vitro ADAARO O[C@@H]1C[NH2+][C@H](c2cc(F)ccc2F)C1 69970367 351600778 /nfs/dbraw/zinc/60/07/78/351600778.db2.gz NMLNIXYQBXUCPH-XVKPBYJWSA-N 1 0 199.200 1.360 50 0 in-vitro ADAARO O[C@@H]1C[NH2+][C@@H](c2ccc(F)c(F)c2)C1 69970782 351600814 /nfs/dbraw/zinc/60/08/14/351600814.db2.gz NBQMGPDYHSTPCH-OIBJUYFYSA-N 1 0 199.200 1.360 50 0 in-vitro ADAARO O[C@H]1C[NH2+][C@H](c2ccc(F)c(F)c2)C1 69970792 351600873 /nfs/dbraw/zinc/60/08/73/351600873.db2.gz NBQMGPDYHSTPCH-XCBNKYQSSA-N 1 0 199.200 1.360 50 0 in-vitro ADAARO O[C@@H]1C[NH2+][C@@H](c2cc(F)ccc2F)C1 69970370 351600916 /nfs/dbraw/zinc/60/09/16/351600916.db2.gz NMLNIXYQBXUCPH-OIBJUYFYSA-N 1 0 199.200 1.360 50 0 in-vitro ADAARO O[C@H]1C[NH2+][C@@H](c2ccc(F)c(F)c2)C1 69970796 351600939 /nfs/dbraw/zinc/60/09/39/351600939.db2.gz NBQMGPDYHSTPCH-GMSGAONNSA-N 1 0 199.200 1.360 50 0 in-vitro ADAARO O[C@H]1C[NH2+][C@@H](c2ccccc2)C1 69970591 351600985 /nfs/dbraw/zinc/60/09/85/351600985.db2.gz MDJWIDATPRVAQE-NXEZZACHSA-N 1 0 163.220 1.082 50 0 ADAARO O[C@@H]1C[NH2+][C@@H](c2ccc(F)cc2)C1 69970279 351600999 /nfs/dbraw/zinc/60/09/99/351600999.db2.gz NZZYEGHSKMJTKE-VHSXEESVSA-N 1 0 181.210 1.221 50 0 in-vitro ADAARO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH2+]1 70075686 351601880 /nfs/dbraw/zinc/60/18/80/351601880.db2.gz UROKQCLJTIMWCD-RKDXNWHRSA-N 1 0 198.310 1.241 50 0 ADAARO CCO[C@@H]1CC[NH2+]C[C@H]1C 70046408 351601891 /nfs/dbraw/zinc/60/18/91/351601891.db2.gz XXSOISDKFTYTJR-HTQZYQBOSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO CCO[C@@H]1CC[NH2+]C[C@@H]1C 70046405 351602066 /nfs/dbraw/zinc/60/20/66/351602066.db2.gz XXSOISDKFTYTJR-JGVFFNPUSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO CCO[C@H]1CC[NH2+]C[C@@H]1C 70046406 351602148 /nfs/dbraw/zinc/60/21/48/351602148.db2.gz XXSOISDKFTYTJR-YUMQZZPRSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO C[C@H]1CC[C@@](C)([NH3+])C1 70621835 351603407 /nfs/dbraw/zinc/60/34/07/351603407.db2.gz JGWGDVYJTSMCRZ-NKWVEPMBSA-N 1 0 113.204 1.524 50 0 ADAARO C[C@@H]1C[C@@H](CC[NH3+])CCO1 70535223 351603756 /nfs/dbraw/zinc/60/37/56/351603756.db2.gz XXBCFFVCEMIJMF-SFYZADRCSA-N 1 0 143.230 1.150 50 0 in-vitro ADAARO C[C@@H]1CC[C@@]2(CC[NH2+]C2)C1 70621849 351603531 /nfs/dbraw/zinc/60/35/31/351603531.db2.gz RBDQSWLPPHOXEI-RKDXNWHRSA-N 1 0 139.242 1.786 50 0 in-vitro ADAARO C[C@@H]1CC[C@@](C)([NH3+])C1 70621834 351603662 /nfs/dbraw/zinc/60/36/62/351603662.db2.gz JGWGDVYJTSMCRZ-RNFRBKRXSA-N 1 0 113.204 1.524 50 0 ADAARO C[C@@H]1CC[C@](C)([NH3+])C1 70621836 351603752 /nfs/dbraw/zinc/60/37/52/351603752.db2.gz JGWGDVYJTSMCRZ-RQJHMYQMSA-N 1 0 113.204 1.524 50 0 ADAARO C[C@@H]1CC[C@H](C[NH3+])C1 70621820 351603866 /nfs/dbraw/zinc/60/38/66/351603866.db2.gz KVGLUIXQRLCKPF-RQJHMYQMSA-N 1 0 113.204 1.381 50 0 in-vitro ADAARO CC1(C)CCC[C@]([NH3+])(CO)C1 70629174 351604275 /nfs/dbraw/zinc/60/42/75/351604275.db2.gz QXRNNLUEYBAHME-SECBINFHSA-N 1 0 157.257 1.276 50 0 ADAARO C[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1 70632663 351604466 /nfs/dbraw/zinc/60/44/66/351604466.db2.gz XYPLIXZKIGGOEU-RITPCOANSA-N 1 0 167.174 1.937 50 0 in-vitro ADAARO CC1(C)CCC[C@@]([NH3+])(CO)C1 70629175 351604575 /nfs/dbraw/zinc/60/45/75/351604575.db2.gz QXRNNLUEYBAHME-VIFPVBQESA-N 1 0 157.257 1.276 50 0 ADAARO C[C@@H]1[NH2+]CCC[C@@H]1C(F)(F)F 70632694 351604783 /nfs/dbraw/zinc/60/47/83/351604783.db2.gz ZIAWRZNFUGPXRN-WDSKDSINSA-N 1 0 167.174 1.937 50 0 in-vitro ADAARO c1ccc(C[C@H]2CC[NH2+]C2)nc1 70627680 351604841 /nfs/dbraw/zinc/60/48/41/351604841.db2.gz IPCCHDSTQIMBLA-SECBINFHSA-N 1 0 162.236 1.234 50 0 ADAARO c1ccc(C[C@@H]2CC[NH2+]C2)nc1 70627679 351604901 /nfs/dbraw/zinc/60/49/01/351604901.db2.gz IPCCHDSTQIMBLA-VIFPVBQESA-N 1 0 162.236 1.234 50 0 ADAARO C[C@@H]1[NH2+]CCC[C@H]1C(F)(F)F 70632690 351604964 /nfs/dbraw/zinc/60/49/64/351604964.db2.gz ZIAWRZNFUGPXRN-NTSWFWBYSA-N 1 0 167.174 1.937 50 0 in-vitro ADAARO c1ccc(C[NH2+][C@H]2CCOC2)cc1 70962493 351608070 /nfs/dbraw/zinc/60/80/70/351608070.db2.gz FBMSAAPBKKNIEI-NSHDSACASA-N 1 0 177.247 1.565 50 0 in-vitro ADAARO c1ccn2ncc(C[NH2+]C3CC3)c2c1 70944206 351608343 /nfs/dbraw/zinc/60/83/43/351608343.db2.gz LRGYZGONMMVSLT-UHFFFAOYSA-N 1 0 187.246 1.586 50 0 ADAARO c1ccn([C@@H]2CCC[NH2+]C2)c1 70950600 351608481 /nfs/dbraw/zinc/60/84/81/351608481.db2.gz MSVVJUQLGSKKPB-SECBINFHSA-N 1 0 150.225 1.413 50 0 in-vitro ADAARO c1ccc(C[NH2+][C@H]2CCCOC2)cc1 71011716 351609916 /nfs/dbraw/zinc/60/99/16/351609916.db2.gz SNBNDUUGRRSANI-LBPRGKRZSA-N 1 0 191.274 1.955 50 0 ADAARO Oc1ccc([C@@H]2CCC[NH2+]C2)cc1 71482734 351610386 /nfs/dbraw/zinc/61/03/86/351610386.db2.gz TXKYZQYKQNVYRS-SNVBAGLBSA-N 1 0 177.247 1.859 50 0 ADAARO CC(C)CNC(=O)C1CC[NH+](C)CC1 71375851 351610531 /nfs/dbraw/zinc/61/05/31/351610531.db2.gz XNMOJODIMPWITH-UHFFFAOYSA-N 1 0 198.310 1.100 50 0 ADAARO c1cc(S[C@@H]2CCC[NH2+]C2)ccn1 71257500 351610615 /nfs/dbraw/zinc/61/06/15/351610615.db2.gz YLCIFIGKNXGJEY-SNVBAGLBSA-N 1 0 194.303 1.926 50 0 in-vitro ADAARO c1coc(C2CC[NH2+]CC2)n1 71477730 351610678 /nfs/dbraw/zinc/61/06/78/351610678.db2.gz YNYDCASRUGOZJC-UHFFFAOYSA-N 1 0 152.197 1.142 50 0 ADAARO c1cc(S[C@H]2CCC[NH2+]C2)ccn1 71257501 351610759 /nfs/dbraw/zinc/61/07/59/351610759.db2.gz YLCIFIGKNXGJEY-JTQLQIEISA-N 1 0 194.303 1.926 50 0 in-vitro ADAARO CCO[C@H]1C[C@@H]([NH3+])C12CCC2 71372478 351610773 /nfs/dbraw/zinc/61/07/73/351610773.db2.gz VLMVTXSEXUNQGV-SFYZADRCSA-N 1 0 155.241 1.293 50 0 in-vitro ADAARO C[C@@H]1CC[C@@H](C)C1[NH3+] 71257424 351610777 /nfs/dbraw/zinc/61/07/77/351610777.db2.gz VUYIFCKJOLEHPV-PHDIDXHHSA-N 1 0 113.204 1.380 50 0 in-vitro ADAARO C[C@@H]1CCC[C@@H](C)[NH2+]C1 71372502 351610820 /nfs/dbraw/zinc/61/08/20/351610820.db2.gz VLFIHSMLNPGTQG-HTQZYQBOSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO Oc1ccc([C@@H]2CC[NH2+]C2)cc1 71482727 351610851 /nfs/dbraw/zinc/61/08/51/351610851.db2.gz IKPXFFMUODBQLI-SECBINFHSA-N 1 0 163.220 1.469 50 0 in-vitro ADAARO c1coc([C@@H]2CCC[NH2+]2)n1 71477732 351610942 /nfs/dbraw/zinc/61/09/42/351610942.db2.gz RPWXYSWZGLZUQA-LURJTMIESA-N 1 0 138.170 1.099 50 0 ADAARO CCO[C@@H]1C[C@H]([NH3+])C12CCC2 71372475 351610977 /nfs/dbraw/zinc/61/09/77/351610977.db2.gz VLMVTXSEXUNQGV-JGVFFNPUSA-N 1 0 155.241 1.293 50 0 in-vitro ADAARO c1coc([C@H]2CCC[NH2+]2)n1 71477735 351611035 /nfs/dbraw/zinc/61/10/35/351611035.db2.gz RPWXYSWZGLZUQA-ZCFIWIBFSA-N 1 0 138.170 1.099 50 0 ADAARO c1ccc(C[C@@H]2C[NH2+]CCS2)cc1 71372521 351611039 /nfs/dbraw/zinc/61/10/39/351611039.db2.gz IIMUARVOSAPLDJ-LLVKDONJSA-N 1 0 193.315 1.934 50 0 in-vitro ADAARO CCO[C@H]1C[C@H]([NH3+])C12CCC2 71372476 351611042 /nfs/dbraw/zinc/61/10/42/351611042.db2.gz VLMVTXSEXUNQGV-YUMQZZPRSA-N 1 0 155.241 1.293 50 0 in-vitro ADAARO Oc1ccc([C@H]2CC[NH2+]C2)cc1 71482729 351611047 /nfs/dbraw/zinc/61/10/47/351611047.db2.gz IKPXFFMUODBQLI-VIFPVBQESA-N 1 0 163.220 1.469 50 0 in-vitro ADAARO c1ccc2c(C3C[NH2+]C3)c[nH]c2c1 71496680 351612016 /nfs/dbraw/zinc/61/20/16/351612016.db2.gz MKTVSXQMFHOMLJ-UHFFFAOYSA-N 1 0 172.231 1.855 50 0 ADAARO Oc1ccc2c(c1)C1(CC1)C[NH2+]C2 71491397 351612038 /nfs/dbraw/zinc/61/20/38/351612038.db2.gz CTZYPYOYEBBGPO-UHFFFAOYSA-N 1 0 175.231 1.527 50 0 in-vitro ADAARO c1ccc([C@]23CCCN2CC[NH2+]3)cc1 71773434 351612826 /nfs/dbraw/zinc/61/28/26/351612826.db2.gz QJFWDBLABPFQPP-LBPRGKRZSA-N 1 0 188.274 1.538 50 0 ADAARO CCSCC[C@H](C)[NH2+]C 71790816 351613907 /nfs/dbraw/zinc/61/39/07/351613907.db2.gz TXIOTTMJJHXBLA-ZETCQYMHSA-N 1 0 147.287 1.738 50 0 in-vitro ADAARO CCSCC[C@H](C)[NH3+] 71790801 351613613 /nfs/dbraw/zinc/61/36/13/351613613.db2.gz RGUYXDCADZIQEO-LURJTMIESA-N 1 0 133.260 1.477 50 0 in-vitro ADAARO CCSC[C@@H](C)[NH2+]C 71790817 351613632 /nfs/dbraw/zinc/61/36/32/351613632.db2.gz SVKJSFSFDNBMQX-ZCFIWIBFSA-N 1 0 133.260 1.347 50 0 in-vitro ADAARO CCSC[C@H](C)[NH2+]C 71790818 351613660 /nfs/dbraw/zinc/61/36/60/351613660.db2.gz SVKJSFSFDNBMQX-LURJTMIESA-N 1 0 133.260 1.347 50 0 in-vitro ADAARO CCO[C@H](CC[NH3+])C(C)C 71790887 351613783 /nfs/dbraw/zinc/61/37/83/351613783.db2.gz ABGOVGHCPXGROD-MRVPVSSYSA-N 1 0 145.246 1.396 50 0 in-vitro ADAARO CCSCC[C@@H](C)[NH3+] 71790800 351613818 /nfs/dbraw/zinc/61/38/18/351613818.db2.gz RGUYXDCADZIQEO-ZCFIWIBFSA-N 1 0 133.260 1.477 50 0 in-vitro ADAARO C[C@@H]1C[C@@H]([NH3+])CN1c1ccccc1 71790382 351613832 /nfs/dbraw/zinc/61/38/32/351613832.db2.gz LKYAKEWXEUZGHO-NXEZZACHSA-N 1 0 176.263 1.613 50 0 in-vitro ADAARO CCO[C@H]1C[C@@H]([NH3+])C12CCCC2 71790732 351613886 /nfs/dbraw/zinc/61/38/86/351613886.db2.gz XTYJBOSOXNCQDY-BDAKNGLRSA-N 1 0 169.268 1.683 50 0 in-vitro ADAARO CCS[C@@H]1CC[C@H]([NH3+])C1 71790754 351613966 /nfs/dbraw/zinc/61/39/66/351613966.db2.gz NSNGAXYXFQFJHD-NKWVEPMBSA-N 1 0 145.271 1.619 50 0 in-vitro ADAARO CCOc1ccc(F)c(C[NH3+])c1F 71867318 351613977 /nfs/dbraw/zinc/61/39/77/351613977.db2.gz GIDMHGPRTGIRRF-UHFFFAOYSA-N 1 0 187.189 1.822 50 0 ADAARO CCO[C@@H]1C[C@H]([NH3+])C12CCCC2 71790729 351614063 /nfs/dbraw/zinc/61/40/63/351614063.db2.gz XTYJBOSOXNCQDY-DTWKUNHWSA-N 1 0 169.268 1.683 50 0 in-vitro ADAARO CCS[C@@H]1CC[C@@H]([NH2+]C)C1 71790740 351614085 /nfs/dbraw/zinc/61/40/85/351614085.db2.gz HQSWZOMBJNDIFU-HTQZYQBOSA-N 1 0 159.298 1.880 50 0 in-vitro ADAARO CCO[C@H]1C[C@H]([NH3+])C12CCCC2 71790730 351614107 /nfs/dbraw/zinc/61/41/07/351614107.db2.gz XTYJBOSOXNCQDY-IUCAKERBSA-N 1 0 169.268 1.683 50 0 in-vitro ADAARO CCSCC[C@@H](C)[NH2+]C 71790815 351614111 /nfs/dbraw/zinc/61/41/11/351614111.db2.gz TXIOTTMJJHXBLA-SSDOTTSWSA-N 1 0 147.287 1.738 50 0 in-vitro ADAARO CCO[C@@H](CC[NH3+])C(C)C 71790886 351614114 /nfs/dbraw/zinc/61/41/14/351614114.db2.gz ABGOVGHCPXGROD-QMMMGPOBSA-N 1 0 145.246 1.396 50 0 in-vitro ADAARO CCS[C@H]1CC[C@H]([NH3+])C1 71790755 351614128 /nfs/dbraw/zinc/61/41/28/351614128.db2.gz NSNGAXYXFQFJHD-BQBZGAKWSA-N 1 0 145.271 1.619 50 0 in-vitro ADAARO C[C@@H]1C[C@H]([NH3+])CN1c1ccccc1 71790380 351614141 /nfs/dbraw/zinc/61/41/41/351614141.db2.gz LKYAKEWXEUZGHO-ZJUUUORDSA-N 1 0 176.263 1.613 50 0 in-vitro ADAARO CCO[C@@H]1C[C@@H]([NH3+])C12CCCC2 71790731 351614186 /nfs/dbraw/zinc/61/41/86/351614186.db2.gz XTYJBOSOXNCQDY-RKDXNWHRSA-N 1 0 169.268 1.683 50 0 in-vitro ADAARO CCS[C@H]1CC[C@@H]([NH3+])C1 71790757 351614189 /nfs/dbraw/zinc/61/41/89/351614189.db2.gz NSNGAXYXFQFJHD-RQJHMYQMSA-N 1 0 145.271 1.619 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@H]1c1ccccc1 71790487 351614222 /nfs/dbraw/zinc/61/42/22/351614222.db2.gz ADXUADGJFQCUSH-PSASIEDQSA-N 1 0 147.221 1.967 50 0 in-vitro ADAARO c1ncc(C2CC[NH2+]CC2)o1 72187621 351614483 /nfs/dbraw/zinc/61/44/83/351614483.db2.gz QTKSQWPXEJNCPI-UHFFFAOYSA-N 1 0 152.197 1.142 50 0 in-vitro ADAARO CCOc1cc(F)c(C[NH3+])c(F)c1 71867330 351614640 /nfs/dbraw/zinc/61/46/40/351614640.db2.gz LXXPUAONYYRXSV-UHFFFAOYSA-N 1 0 187.189 1.822 50 0 ADAARO CCSc1ccc([C@@H]([NH3+])CO)cc1 72197833 351614926 /nfs/dbraw/zinc/61/49/26/351614926.db2.gz LLUBRYRBSJQHRX-JTQLQIEISA-N 1 0 197.303 1.791 50 0 ADAARO c1ncc([C@@H]2CCC[NH2+]C2)o1 72187607 351615173 /nfs/dbraw/zinc/61/51/73/351615173.db2.gz LLTIXRHSDQDYEO-SSDOTTSWSA-N 1 0 152.197 1.142 50 0 ADAARO c1ncc([C@H]2CCC[NH2+]C2)o1 72187608 351615236 /nfs/dbraw/zinc/61/52/36/351615236.db2.gz LLTIXRHSDQDYEO-ZETCQYMHSA-N 1 0 152.197 1.142 50 0 ADAARO CCS[C@@H]1CCC[C@H]1[NH3+] 72266647 351618224 /nfs/dbraw/zinc/61/82/24/351618224.db2.gz LRRNYPQOJVXHFH-RNFRBKRXSA-N 1 0 145.271 1.619 50 0 in-vitro ADAARO CCS[C@H]1CCC[C@H]1[NH3+] 72266648 351618291 /nfs/dbraw/zinc/61/82/91/351618291.db2.gz LRRNYPQOJVXHFH-RQJHMYQMSA-N 1 0 145.271 1.619 50 0 in-vitro ADAARO O[C@H](C[C@@H]1CCC[NH2+]1)c1cccs1 72314394 351618334 /nfs/dbraw/zinc/61/83/34/351618334.db2.gz YPDAPHZLNYDPBN-DTWKUNHWSA-N 1 0 197.303 1.924 50 0 ADAARO CCS[C@@H]1CCC[C@@H]1[NH3+] 72266645 351618516 /nfs/dbraw/zinc/61/85/16/351618516.db2.gz LRRNYPQOJVXHFH-NKWVEPMBSA-N 1 0 145.271 1.619 50 0 in-vitro ADAARO CCO[C@@H](CC[NH3+])C1CCCC1 72266572 351618563 /nfs/dbraw/zinc/61/85/63/351618563.db2.gz QFVYSRYGSVZTKF-JTQLQIEISA-N 1 0 171.284 1.931 50 0 in-vitro ADAARO CCO[C@H]1C[C@H]([NH3+])C1(CC)CC 72302612 351618795 /nfs/dbraw/zinc/61/87/95/351618795.db2.gz ZMAHIUYXBCWNFY-IUCAKERBSA-N 1 0 171.284 1.929 50 0 in-vitro ADAARO O[C@@H](C[C@H]1CCC[NH2+]1)c1cccs1 72314397 351618812 /nfs/dbraw/zinc/61/88/12/351618812.db2.gz YPDAPHZLNYDPBN-BDAKNGLRSA-N 1 0 197.303 1.924 50 0 ADAARO CCO[C@H]1C[C@@H]([NH3+])C1(CC)CC 72302611 351618857 /nfs/dbraw/zinc/61/88/57/351618857.db2.gz ZMAHIUYXBCWNFY-BDAKNGLRSA-N 1 0 171.284 1.929 50 0 in-vitro ADAARO CCO[C@@H]1C[C@@H]([NH3+])C1(CC)CC 72302613 351618860 /nfs/dbraw/zinc/61/88/60/351618860.db2.gz ZMAHIUYXBCWNFY-RKDXNWHRSA-N 1 0 171.284 1.929 50 0 in-vitro ADAARO CCO[C@@H]1C[C@H]([NH3+])C1(CC)CC 72302614 351618912 /nfs/dbraw/zinc/61/89/12/351618912.db2.gz ZMAHIUYXBCWNFY-DTWKUNHWSA-N 1 0 171.284 1.929 50 0 in-vitro ADAARO CCS[C@H]1CCC[C@@H]1[NH3+] 72266646 351618935 /nfs/dbraw/zinc/61/89/35/351618935.db2.gz LRRNYPQOJVXHFH-BQBZGAKWSA-N 1 0 145.271 1.619 50 0 in-vitro ADAARO CC(C)C[C@@H]1OCCC[C@@H]1[NH3+] 74342317 351621191 /nfs/dbraw/zinc/62/11/91/351621191.db2.gz RGBLJJXXWNGXMA-IUCAKERBSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO CC(C)C[C@H]1OCCC[C@H]1[NH3+] 74342314 351620324 /nfs/dbraw/zinc/62/03/24/351620324.db2.gz RGBLJJXXWNGXMA-RKDXNWHRSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO Cn1ccc(-c2nc(C[NH3+])cs2)n1 74246297 351620397 /nfs/dbraw/zinc/62/03/97/351620397.db2.gz GBEZFKOETMVASQ-UHFFFAOYSA-N 1 0 194.263 1.002 50 0 ADAARO CC(C)C[C@@H]1OCCC[C@H]1[NH3+] 74342315 351621090 /nfs/dbraw/zinc/62/10/90/351621090.db2.gz RGBLJJXXWNGXMA-BDAKNGLRSA-N 1 0 157.257 1.539 50 0 in-vitro ADAARO C[C@@H](O)c1ccc2c(c1)C[NH2+]CCO2 74941305 351622985 /nfs/dbraw/zinc/62/29/85/351622985.db2.gz INWAXVIEHILFAD-MRVPVSSYSA-N 1 0 193.246 1.222 50 0 ADAARO C[C@@H]1C[C@H]([NH3+])CN1Cc1ccccc1 74941826 351624150 /nfs/dbraw/zinc/62/41/50/351624150.db2.gz GEZSNOKHPRRTIC-PWSUYJOCSA-N 1 0 190.290 1.608 50 0 in-vitro ADAARO C[C@@H]1CC[NH2+]C[C@H](C)C1 74942253 351624217 /nfs/dbraw/zinc/62/42/17/351624217.db2.gz JUFCUCAZFRNTIB-HTQZYQBOSA-N 1 0 127.231 1.642 50 0 in-vitro ADAARO O[C@@H](C[C@H]1CCC[NH2+]1)c1ccco1 75110360 351624272 /nfs/dbraw/zinc/62/42/72/351624272.db2.gz WFLJBRRIRXFMNI-BDAKNGLRSA-N 1 0 181.235 1.455 50 0 in-vitro ADAARO O[C@H](C[C@@H]1CCC[NH2+]1)c1ccco1 75110356 351624360 /nfs/dbraw/zinc/62/43/60/351624360.db2.gz WFLJBRRIRXFMNI-DTWKUNHWSA-N 1 0 181.235 1.455 50 0 in-vitro ADAARO C[C@@H]1C[C@@H]([NH3+])CN1Cc1ccccc1 74941829 351624428 /nfs/dbraw/zinc/62/44/28/351624428.db2.gz GEZSNOKHPRRTIC-ZYHUDNBSSA-N 1 0 190.290 1.608 50 0 in-vitro ADAARO c1nc2c(n1[C@@H]1CC[NH2+]C1)CCCC2 76093927 351625111 /nfs/dbraw/zinc/62/51/11/351625111.db2.gz YUUVYQJTJZIXAA-SECBINFHSA-N 1 0 191.278 1.296 50 0 ADAARO c1nc2c(n1[C@H]1CC[NH2+]C1)CCCC2 76093930 351625354 /nfs/dbraw/zinc/62/53/54/351625354.db2.gz YUUVYQJTJZIXAA-VIFPVBQESA-N 1 0 191.278 1.296 50 0 ADAARO CCO[C@@H]1C[C@@H]([NH2+]C)C12CCC2 78210739 351625875 /nfs/dbraw/zinc/62/58/75/351625875.db2.gz ZFSXAHVCFNMAIP-RKDXNWHRSA-N 1 0 169.268 1.554 50 0 in-vitro ADAARO CCO[C@H]1C[C@H]([NH2+]C)C12CCC2 78210738 351625925 /nfs/dbraw/zinc/62/59/25/351625925.db2.gz ZFSXAHVCFNMAIP-IUCAKERBSA-N 1 0 169.268 1.554 50 0 in-vitro ADAARO CCO[C@H]1C[C@@H]([NH2+]C)C12CCC2 78210740 351626512 /nfs/dbraw/zinc/62/65/12/351626512.db2.gz ZFSXAHVCFNMAIP-BDAKNGLRSA-N 1 0 169.268 1.554 50 0 in-vitro ADAARO OC[C@@H]1C[NH2+]C[C@@H]1c1ccsc1 78374123 351627083 /nfs/dbraw/zinc/62/70/83/351627083.db2.gz SWXORFHOLPJLTG-DTWKUNHWSA-N 1 0 183.276 1.043 50 0 ADAARO CO[C@H](C[NH3+])C1CCCCC1 78500610 351627194 /nfs/dbraw/zinc/62/71/94/351627194.db2.gz SAGXQEXZNLAHBA-SECBINFHSA-N 1 0 157.257 1.540 50 0 ADAARO OC[C@H]1C[NH2+]C[C@@H]1c1ccsc1 78374120 351627218 /nfs/dbraw/zinc/62/72/18/351627218.db2.gz SWXORFHOLPJLTG-RKDXNWHRSA-N 1 0 183.276 1.043 50 0 ADAARO C[N@@H+]1CCNCC12CCCCC2 78461378 351627568 /nfs/dbraw/zinc/62/75/68/351627568.db2.gz JEULWRNDCDRAIW-UHFFFAOYSA-N 1 0 168.284 1.224 50 0 ADAARO OC[C@H]1C[NH2+]C[C@H]1c1ccsc1 78374119 351627586 /nfs/dbraw/zinc/62/75/86/351627586.db2.gz SWXORFHOLPJLTG-BDAKNGLRSA-N 1 0 183.276 1.043 50 0 ADAARO OC[C@@H]1C[NH2+]C[C@H]1c1ccsc1 78374122 351627639 /nfs/dbraw/zinc/62/76/39/351627639.db2.gz SWXORFHOLPJLTG-IUCAKERBSA-N 1 0 183.276 1.043 50 0 ADAARO CC(C)C1CC([NH3+])C1 78724473 351628192 /nfs/dbraw/zinc/62/81/92/351628192.db2.gz DWFAIIJUKMDTLJ-UHFFFAOYSA-N 1 0 113.204 1.380 50 0 in-vitro ADAARO CC[C@@H](C)N[C@@H](C[NH3+])c1ccco1 83760942 351647703 /nfs/dbraw/zinc/64/77/03/351647703.db2.gz PPVANSNFHRGNHM-BDAKNGLRSA-N 1 0 182.267 1.668 50 0 in-vitro ADAARO C[C@@H]1CCC[N@H+](CC2(O)CCC2)C1 79096553 351629892 /nfs/dbraw/zinc/62/98/92/351629892.db2.gz SQOKSWCHFTVDML-SNVBAGLBSA-N 1 0 183.295 1.633 50 0 ADAARO C[C@@H]1C[NH+](CC2(O)CCC2)C[C@@H](C)O1 79096549 351630237 /nfs/dbraw/zinc/63/02/37/351630237.db2.gz PVSLVVNIAKTOEA-NXEZZACHSA-N 1 0 199.294 1.011 50 0 ADAARO c1ccc2c(c1)NC[C@@]21CC[NH2+]C1 80343931 351631281 /nfs/dbraw/zinc/63/12/81/351631281.db2.gz KOZNMVIZEDTXLB-NSHDSACASA-N 1 0 174.247 1.343 50 0 in-vitro ADAARO CCSC[C@H]([NH2+]C)C1CC1 81826086 351634097 /nfs/dbraw/zinc/63/40/97/351634097.db2.gz VMSKUNNVUGXIMQ-QMMMGPOBSA-N 1 0 159.298 1.738 50 0 ADAARO O[C@@]1(Cc2ccccc2F)CC[NH2+]C1 82164390 351634084 /nfs/dbraw/zinc/63/40/84/351634084.db2.gz XHSGRCKBNYACIY-LLVKDONJSA-N 1 0 195.237 1.093 50 0 in-vitro ADAARO CCOc1c[nH+]ccc1N 82046764 351634232 /nfs/dbraw/zinc/63/42/32/351634232.db2.gz QNDMDMFWRZOZEB-UHFFFAOYSA-N 1 0 138.170 1.063 50 0 ADAARO c1ccc2c([C@H]3CC[NH2+]C3)n[nH]c2c1 82184182 351634979 /nfs/dbraw/zinc/63/49/79/351634979.db2.gz NSWCVGLOSFLVQJ-QMMMGPOBSA-N 1 0 187.246 1.640 50 0 ADAARO c1ccc2c([C@@H]3CC[NH2+]C3)n[nH]c2c1 82184181 351635016 /nfs/dbraw/zinc/63/50/16/351635016.db2.gz NSWCVGLOSFLVQJ-MRVPVSSYSA-N 1 0 187.246 1.640 50 0 ADAARO c1ccc2c(c1)N[C@@H]1C[NH2+]CC[C@@H]21 82319280 351635768 /nfs/dbraw/zinc/63/57/68/351635768.db2.gz DWPAWEOVWCYOAE-GXSJLCMTSA-N 1 0 174.247 1.558 50 0 ADAARO c1ccc(-c2ncn3c2C[NH2+]CC3)cc1 82383758 351635804 /nfs/dbraw/zinc/63/58/04/351635804.db2.gz SFSGYMDBYMURHW-UHFFFAOYSA-N 1 0 199.257 1.653 50 0 ADAARO c1ccc(-n2cnc3c2CC[NH2+]C3)cc1 82383693 351635965 /nfs/dbraw/zinc/63/59/65/351635965.db2.gz YDZXAXIEQPOBPZ-UHFFFAOYSA-N 1 0 199.257 1.518 50 0 ADAARO c1ccc2c(c1)N[C@H]1C[NH2+]CC[C@H]21 82319278 351636023 /nfs/dbraw/zinc/63/60/23/351636023.db2.gz DWPAWEOVWCYOAE-KOLCDFICSA-N 1 0 174.247 1.558 50 0 ADAARO c1ccc2c(c1)N[C@@H]1C[NH2+]CC[C@H]21 82319282 351636080 /nfs/dbraw/zinc/63/60/80/351636080.db2.gz DWPAWEOVWCYOAE-MWLCHTKSSA-N 1 0 174.247 1.558 50 0 ADAARO C[C@@H]1CC(=O)C[C@@H](C2CC2)[NH2+]1 82407298 351636717 /nfs/dbraw/zinc/63/67/17/351636717.db2.gz URHLGVNKVAEGGV-MUWHJKNJSA-N 1 0 153.225 1.106 50 0 ADAARO c1cc([C@@H]2CCC[NH2+]C2)on1 82407697 351636729 /nfs/dbraw/zinc/63/67/29/351636729.db2.gz CJSMBSPCAQFIGB-SSDOTTSWSA-N 1 0 152.197 1.142 50 0 ADAARO O[C@H]1CC[NH2+][C@H]1c1ccccc1 82404559 351636793 /nfs/dbraw/zinc/63/67/93/351636793.db2.gz HSZMIBUQZHPGSX-UWVGGRQHSA-N 1 0 163.220 1.082 50 0 ADAARO O[C@@H]1CC[NH2+][C@H]1c1ccccc1 82404557 351636852 /nfs/dbraw/zinc/63/68/52/351636852.db2.gz HSZMIBUQZHPGSX-ZJUUUORDSA-N 1 0 163.220 1.082 50 0 ADAARO C[C@@H]1CC(=O)C[C@H](C2CC2)[NH2+]1 82407296 351636955 /nfs/dbraw/zinc/63/69/55/351636955.db2.gz URHLGVNKVAEGGV-HZGVNTEJSA-N 1 0 153.225 1.106 50 0 ADAARO c1cc2c(c3c1C[NH2+]C3)OCO2 82404679 351637067 /nfs/dbraw/zinc/63/70/67/351637067.db2.gz ODNLWWULZSLNAO-UHFFFAOYSA-N 1 0 163.176 1.019 50 0 ADAARO c1cc2c(s1)C[NH2+]CCC2 82407233 351637098 /nfs/dbraw/zinc/63/70/98/351637098.db2.gz YDHBMPBDDNCJDO-UHFFFAOYSA-N 1 0 153.250 1.784 50 0 in-vitro ADAARO O[C@@H]1CC[NH2+][C@@H]1c1ccccc1 82404556 351637110 /nfs/dbraw/zinc/63/71/10/351637110.db2.gz HSZMIBUQZHPGSX-NXEZZACHSA-N 1 0 163.220 1.082 50 0 ADAARO c1cc([C@H]2CCC[NH2+]C2)on1 82407698 351637114 /nfs/dbraw/zinc/63/71/14/351637114.db2.gz CJSMBSPCAQFIGB-ZETCQYMHSA-N 1 0 152.197 1.142 50 0 ADAARO O[C@H]1CC[NH2+][C@@H]1c1ccccc1 82404558 351637218 /nfs/dbraw/zinc/63/72/18/351637218.db2.gz HSZMIBUQZHPGSX-VHSXEESVSA-N 1 0 163.220 1.082 50 0 ADAARO c1ccc(-c2ncc3n2CC[NH2+]C3)cc1 82531250 351639004 /nfs/dbraw/zinc/63/90/04/351639004.db2.gz RVSCQUAKUPOYLU-UHFFFAOYSA-N 1 0 199.257 1.653 50 0 ADAARO C[C@@H]1CCc2onc(C[NH3+])c2C1 82632851 351640286 /nfs/dbraw/zinc/64/02/86/351640286.db2.gz KQZGBXUZRDWBSK-ZCFIWIBFSA-N 1 0 166.224 1.258 50 0 ADAARO C[C@@H]1CCSCC[NH2+]1 82730676 351641217 /nfs/dbraw/zinc/64/12/17/351641217.db2.gz JDZGEWJZJFNIGZ-ZCFIWIBFSA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO CCC(C)(C)CC[NH3+] 82707722 351641223 /nfs/dbraw/zinc/64/12/23/351641223.db2.gz VJYYSQMXJLHCDL-UHFFFAOYSA-N 1 0 115.220 1.771 50 0 in-vitro ADAARO c1cc([C@@H]2CCC[NH2+]2)on1 82707778 351641255 /nfs/dbraw/zinc/64/12/55/351641255.db2.gz MLOADWBZVSUVBP-LURJTMIESA-N 1 0 138.170 1.099 50 0 ADAARO CC(C)C(C[NH3+])C(C)C 82707685 351641371 /nfs/dbraw/zinc/64/13/71/351641371.db2.gz YZMPGOSLRRXMSC-UHFFFAOYSA-N 1 0 129.247 1.873 50 0 in-vitro ADAARO c1ccc2c([C@H]3CCC[NH2+]3)[nH]nc2c1 82879744 351642271 /nfs/dbraw/zinc/64/22/71/351642271.db2.gz BKBVZZVPPRQSJA-SNVBAGLBSA-N 1 0 187.246 1.987 50 0 ADAARO c1ncc([C@@H]2CCC[NH2+]2)o1 82837130 351642111 /nfs/dbraw/zinc/64/21/11/351642111.db2.gz JUNSQLOOJDIGAY-LURJTMIESA-N 1 0 138.170 1.099 50 0 ADAARO CC1CCC([C@@H]([NH3+])CO)CC1 82856989 351642277 /nfs/dbraw/zinc/64/22/77/351642277.db2.gz YOOALSWFRSSZPV-HACHORDNSA-N 1 0 157.257 1.132 50 0 ADAARO C[C@@H]1C[C@H](C(F)(F)F)CC[NH2+]1 82852620 351642548 /nfs/dbraw/zinc/64/25/48/351642548.db2.gz YVFSMKDGJYMMJC-PHDIDXHHSA-N 1 0 167.174 1.937 50 0 ADAARO c1ccc2c([C@@H]3CCC[NH2+]3)[nH]nc2c1 82879742 351642656 /nfs/dbraw/zinc/64/26/56/351642656.db2.gz BKBVZZVPPRQSJA-JTQLQIEISA-N 1 0 187.246 1.987 50 0 ADAARO C[C@@H]1[NH2+]CCO[C@@H]1c1cccc(F)c1 82898815 351643167 /nfs/dbraw/zinc/64/31/67/351643167.db2.gz VHYVKJAQSJCYCK-KWQFWETISA-N 1 0 195.237 1.875 50 0 in-vitro ADAARO C[NH2+][C@@H](C)[C@H]1Cc2ccccc21 83123102 351643185 /nfs/dbraw/zinc/64/31/85/351643185.db2.gz BKEIRXMOPJIBGD-GZMMTYOYSA-N 1 0 161.248 1.934 50 0 ADAARO C[NH2+][C@H](C)[C@H]1Cc2ccccc21 83123104 351643229 /nfs/dbraw/zinc/64/32/29/351643229.db2.gz BKEIRXMOPJIBGD-LDYMZIIASA-N 1 0 161.248 1.934 50 0 ADAARO C[NH2+][C@@H](C)[C@@H]1Cc2ccccc21 83123098 351643243 /nfs/dbraw/zinc/64/32/43/351643243.db2.gz BKEIRXMOPJIBGD-KWQFWETISA-N 1 0 161.248 1.934 50 0 ADAARO C[NH2+][C@H](C)[C@@H]1Cc2ccccc21 83123100 351643384 /nfs/dbraw/zinc/64/33/84/351643384.db2.gz BKEIRXMOPJIBGD-KCJUWKMLSA-N 1 0 161.248 1.934 50 0 ADAARO CCOc1cccc2c1OC[C@@H]([NH3+])C2 82892540 351643523 /nfs/dbraw/zinc/64/35/23/351643523.db2.gz KJLWDVFQGMEDQY-VIFPVBQESA-N 1 0 193.246 1.348 50 0 ADAARO CCOc1cccc2c1OC[C@H]([NH3+])C2 82892539 351643580 /nfs/dbraw/zinc/64/35/80/351643580.db2.gz KJLWDVFQGMEDQY-SECBINFHSA-N 1 0 193.246 1.348 50 0 ADAARO O[C@H](c1ccncc1)C1CC[NH2+]CC1 83161767 351643608 /nfs/dbraw/zinc/64/36/08/351643608.db2.gz USKBCAHOPLVRLG-LLVKDONJSA-N 1 0 192.262 1.115 50 0 ADAARO C[C@@H]1C[NH2+]Cc2ccccc2O1 83255619 351644431 /nfs/dbraw/zinc/64/44/31/351644431.db2.gz SMTCLMJGCOKJJI-MRVPVSSYSA-N 1 0 163.220 1.557 50 0 in-vitro ADAARO c1ccc2c(c1)C[NH2+]CC21CC1 83255411 351644638 /nfs/dbraw/zinc/64/46/38/351644638.db2.gz XGVQNSPZJDXCET-UHFFFAOYSA-N 1 0 159.232 1.821 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]C[C@]2(CCOC(C)(C)C2)O1 83472029 351645236 /nfs/dbraw/zinc/64/52/36/351645236.db2.gz IVGBCYBVACEZRK-MWLCHTKSSA-N 1 0 199.294 1.323 50 0 in-vitro ADAARO CC1(C)CCC[C@@](O)(C[NH3+])CC1 83436370 351645372 /nfs/dbraw/zinc/64/53/72/351645372.db2.gz ROAQLXHEHXTDLA-JTQLQIEISA-N 1 0 171.284 1.667 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]C[C@@]2(CCOC(C)(C)C2)O1 83472033 351645686 /nfs/dbraw/zinc/64/56/86/351645686.db2.gz IVGBCYBVACEZRK-KOLCDFICSA-N 1 0 199.294 1.323 50 0 in-vitro ADAARO CCSC1(C[NH3+])CC1 83484427 351645703 /nfs/dbraw/zinc/64/57/03/351645703.db2.gz CUMYFCXUUNUNNB-UHFFFAOYSA-N 1 0 131.244 1.231 50 0 ADAARO CC[C@@]([NH3+])(CCO)c1ccccc1 83617759 351646904 /nfs/dbraw/zinc/64/69/04/351646904.db2.gz OXKUCOFYKRJHPV-LLVKDONJSA-N 1 0 179.263 1.633 50 0 ADAARO O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 83823911 351647627 /nfs/dbraw/zinc/64/76/27/351647627.db2.gz NCZIEQILKFBUKL-OUAUKWLOSA-N 1 0 183.295 1.680 50 0 in-vitro ADAARO OC1CC(C[NH2+]Cc2ccccc2)C1 83824158 351647641 /nfs/dbraw/zinc/64/76/41/351647641.db2.gz ZQHSJWVNBJJEMT-UHFFFAOYSA-N 1 0 191.274 1.547 50 0 ADAARO CC[C@@H](C)N[C@H](C[NH3+])c1ccco1 83760947 351647669 /nfs/dbraw/zinc/64/76/69/351647669.db2.gz PPVANSNFHRGNHM-RKDXNWHRSA-N 1 0 182.267 1.668 50 0 in-vitro ADAARO Cc1cc(C[C@@H]2CCC[C@@H]2[NH3+])n(C)n1 84245983 351648532 /nfs/dbraw/zinc/64/85/32/351648532.db2.gz VATRBJDYQXXQQL-ONGXEEELSA-N 1 0 193.294 1.398 50 0 ADAARO c1ccc2c(c1)nc1n2CC[NH2+]CC1 84232699 351648730 /nfs/dbraw/zinc/64/87/30/351648730.db2.gz JRCKNPRYSOIYFJ-UHFFFAOYSA-N 1 0 187.246 1.182 50 0 ADAARO C[N@@H+]1CCC(=O)CC1(C)C 83962145 351648810 /nfs/dbraw/zinc/64/88/10/351648810.db2.gz DNPNNOWIJPCHMA-UHFFFAOYSA-N 1 0 141.214 1.060 50 0 ADAARO CC(C)C(C)(C)C[NH3+] 83961921 351648928 /nfs/dbraw/zinc/64/89/28/351648928.db2.gz XRJDGOQUIYTWGH-UHFFFAOYSA-N 1 0 115.220 1.627 50 0 ADAARO Oc1ccc2c(c1)CCC[NH2+]C2 84307400 351649379 /nfs/dbraw/zinc/64/93/79/351649379.db2.gz NIGRDNFOXZYGLF-UHFFFAOYSA-N 1 0 163.220 1.428 50 0 ADAARO O[C@H](C1CCCCC1)C1CC[NH2+]CC1 84310045 351649820 /nfs/dbraw/zinc/64/98/20/351649820.db2.gz OFFHOWWIQBWWQL-GFCCVEGCSA-N 1 0 197.322 1.927 50 0 ADAARO Cc1cc(C[C@H]2CCC[C@H]2[NH3+])n(C)n1 84245989 351649825 /nfs/dbraw/zinc/64/98/25/351649825.db2.gz VATRBJDYQXXQQL-MWLCHTKSSA-N 1 0 193.294 1.398 50 0 ADAARO c1ccc2c(c1)NC[C@]21CC[NH2+]C1 84248651 351649902 /nfs/dbraw/zinc/64/99/02/351649902.db2.gz KOZNMVIZEDTXLB-LLVKDONJSA-N 1 0 174.247 1.343 50 0 in-vitro ADAARO Cc1cc(C[C@@H]2CCC[C@H]2[NH3+])n(C)n1 84245987 351650010 /nfs/dbraw/zinc/65/00/10/351650010.db2.gz VATRBJDYQXXQQL-GXSJLCMTSA-N 1 0 193.294 1.398 50 0 ADAARO C[C@@H]1CC[NH2+]C(C)(C)C1 84425984 351650835 /nfs/dbraw/zinc/65/08/35/351650835.db2.gz AIRGIADVPCTKHU-SSDOTTSWSA-N 1 0 127.231 1.785 50 0 in-vitro ADAARO c1cc2n(c1)CC[NH2+]C21CCOCC1 84352969 351650924 /nfs/dbraw/zinc/65/09/24/351650924.db2.gz GNDDFYJHDNZALG-UHFFFAOYSA-N 1 0 192.262 1.097 50 0 in-vitro ADAARO CC(C)OC1CC(C[NH3+])C1 84449944 351651544 /nfs/dbraw/zinc/65/15/44/351651544.db2.gz GKGJAQXOPLTVOA-UHFFFAOYSA-N 1 0 143.230 1.149 50 0 ADAARO C[NH2+]CC1CC(C)(C)C1 84889767 351651681 /nfs/dbraw/zinc/65/16/81/351651681.db2.gz DVQYPFQKXORFMQ-UHFFFAOYSA-N 1 0 127.231 1.642 50 0 ADAARO CO[C@H](C[NH3+])C1CCCC1 85099672 351652502 /nfs/dbraw/zinc/65/25/02/351652502.db2.gz VDYDZONULVTNGN-MRVPVSSYSA-N 1 0 143.230 1.150 50 0 ADAARO CC[C@@H](C)[C@@H](C[NH3+])OC 85100022 351652538 /nfs/dbraw/zinc/65/25/38/351652538.db2.gz IDMUEQYNTNCGJN-RNFRBKRXSA-N 1 0 131.219 1.006 50 0 ADAARO CC[C@@H](C)[C@H](C[NH3+])OC 85100026 351652729 /nfs/dbraw/zinc/65/27/29/351652729.db2.gz IDMUEQYNTNCGJN-RQJHMYQMSA-N 1 0 131.219 1.006 50 0 ADAARO C[C@@](O)(C[NH3+])Cc1ccsc1 85074877 351652942 /nfs/dbraw/zinc/65/29/42/351652942.db2.gz RDTNAGKLRVWBQO-QMMMGPOBSA-N 1 0 171.265 1.000 50 0 ADAARO C[C@@H]1CC[NH2+]CCS1 85343484 351654013 /nfs/dbraw/zinc/65/40/13/351654013.db2.gz VBNZYCQGFMZEMU-ZCFIWIBFSA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO Oc1ccc2c(c1)C[NH2+]CCC2 86014454 351654698 /nfs/dbraw/zinc/65/46/98/351654698.db2.gz ASPWWXIBCWONIM-UHFFFAOYSA-N 1 0 163.220 1.428 50 0 ADAARO c1coc(-c2noc(C3C[NH2+]C3)n2)c1 86194453 351654702 /nfs/dbraw/zinc/65/47/02/351654702.db2.gz MULAMNRWNUGJAW-UHFFFAOYSA-N 1 0 191.190 1.016 50 0 ADAARO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 86498349 351655035 /nfs/dbraw/zinc/65/50/35/351655035.db2.gz OEMWXHAJDDYVBK-KXUCPTDWSA-N 1 0 169.268 1.290 50 0 in-vitro ADAARO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 86498346 351655148 /nfs/dbraw/zinc/65/51/48/351655148.db2.gz OEMWXHAJDDYVBK-LPEHRKFASA-N 1 0 169.268 1.290 50 0 in-vitro ADAARO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[NH2+]2)C1 86501387 351655145 /nfs/dbraw/zinc/65/51/45/351655145.db2.gz OTTRXXKJZPYVOE-RHYQMDGZSA-N 1 0 197.322 1.926 50 0 in-vitro ADAARO CCOC(=O)[C@@H](C[NH3+])C(CC)CC 87156121 351658585 /nfs/dbraw/zinc/65/85/85/351658585.db2.gz RFGVYCGUMPSVIM-VIFPVBQESA-N 1 0 187.283 1.561 50 0 ADAARO CCOC(=O)[C@H](C[NH3+])C(CC)CC 87156120 351658689 /nfs/dbraw/zinc/65/86/89/351658689.db2.gz RFGVYCGUMPSVIM-SECBINFHSA-N 1 0 187.283 1.561 50 0 ADAARO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH3+] 87016184 351659082 /nfs/dbraw/zinc/65/90/82/351659082.db2.gz BQUBNPVVUSEMTI-CDUCUWFYSA-N 1 0 167.183 1.606 50 0 in-vitro ADAARO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH3+] 87016188 351659136 /nfs/dbraw/zinc/65/91/36/351659136.db2.gz BQUBNPVVUSEMTI-SSDLBLMSSA-N 1 0 167.183 1.606 50 0 in-vitro ADAARO C[C@@H]1CCCN([C@@H]2CCC[NH2+]C2)C1 87876311 351660536 /nfs/dbraw/zinc/66/05/36/351660536.db2.gz CJWRVRINIMDENH-GHMZBOCLSA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO [NH3+]C1(C(F)F)CCC1 87688369 351660701 /nfs/dbraw/zinc/66/07/01/351660701.db2.gz BABBZOQDMALYMY-UHFFFAOYSA-N 1 0 121.130 1.133 50 0 in-vitro ADAARO C[C@@H]1CCCCN1[C@@H]1CCC[NH2+]C1 87876309 351660886 /nfs/dbraw/zinc/66/08/86/351660886.db2.gz XLGDVRUTJTXZGE-GHMZBOCLSA-N 1 0 182.311 1.613 50 0 ADAARO CCSCC[N@H+](C)[C@H](C)CO 89275257 351664251 /nfs/dbraw/zinc/66/42/51/351664251.db2.gz VVUQDKDOYOQRHB-MRVPVSSYSA-N 1 0 177.313 1.052 50 0 ADAARO c1cn(CCC2CC[NH2+]CC2)cn1 95081262 351668059 /nfs/dbraw/zinc/66/80/59/351668059.db2.gz PPIJGGILSYOSSI-UHFFFAOYSA-N 1 0 179.267 1.273 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]CCC1(F)F 95147686 351669972 /nfs/dbraw/zinc/66/99/72/351669972.db2.gz ZNUSFHANDPUSAD-RXMQYKEDSA-N 1 0 135.157 1.251 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]CC(C)(C)C1 95348217 351670208 /nfs/dbraw/zinc/67/02/08/351670208.db2.gz CDUQWBAPFRDIKZ-ZETCQYMHSA-N 1 0 127.231 1.642 50 0 in-vitro ADAARO CC(C)CCC(=O)CC[NH+](C)C 95496255 351670304 /nfs/dbraw/zinc/67/03/04/351670304.db2.gz PZBJXYOGYUXIQV-UHFFFAOYSA-N 1 0 171.284 1.943 50 0 in-vitro ADAARO C[C@@H]1COc2ccccc2C[NH2+]1 95348096 351670479 /nfs/dbraw/zinc/67/04/79/351670479.db2.gz BJWDNTHNWRNSAZ-MRVPVSSYSA-N 1 0 163.220 1.557 50 0 in-vitro ADAARO c1ccc2nn([C@H]3CC[NH2+]C3)cc2c1 95347910 351670485 /nfs/dbraw/zinc/67/04/85/351670485.db2.gz NWUKPFQBZMIMIC-JTQLQIEISA-N 1 0 187.246 1.571 50 0 in-vitro ADAARO c1ccc(N2CCC23C[NH2+]C3)cc1 95628901 351670965 /nfs/dbraw/zinc/67/09/65/351670965.db2.gz QWFHWOXJGVJQIE-UHFFFAOYSA-N 1 0 174.247 1.239 50 0 in-vitro ADAARO OCCCC[C@H]1CCCC[NH2+]1 95635414 351671150 /nfs/dbraw/zinc/67/11/50/351671150.db2.gz LYNLSABRWGOHRC-SECBINFHSA-N 1 0 157.257 1.291 50 0 in-vitro ADAARO OCCCC[C@@H]1CCCC[NH2+]1 95635413 351671279 /nfs/dbraw/zinc/67/12/79/351671279.db2.gz LYNLSABRWGOHRC-VIFPVBQESA-N 1 0 157.257 1.291 50 0 in-vitro ADAARO c1ccc(N2CC[C@]23CC[NH2+]C3)cc1 95644239 351671695 /nfs/dbraw/zinc/67/16/95/351671695.db2.gz XOLOTIMGFFYJOK-LBPRGKRZSA-N 1 0 188.274 1.629 50 0 ADAARO CCOc1cc(Cl)ncc1C[NH3+] 95704989 351671732 /nfs/dbraw/zinc/67/17/32/351671732.db2.gz KPSNYPAENWFILT-UHFFFAOYSA-N 1 0 186.642 1.592 50 0 ADAARO COc1ccc([C@@H]([NH3+])C2CC2)cn1 95682623 351671771 /nfs/dbraw/zinc/67/17/71/351671771.db2.gz ICJMORFGUUYTBT-JTQLQIEISA-N 1 0 178.235 1.500 50 0 ADAARO c1ccc(N2CC[C@@]23CC[NH2+]C3)cc1 95644238 351672010 /nfs/dbraw/zinc/67/20/10/351672010.db2.gz XOLOTIMGFFYJOK-GFCCVEGCSA-N 1 0 188.274 1.629 50 0 ADAARO c1ccc(-n2ncc3c2C[NH2+]C3)cc1 95705170 351672079 /nfs/dbraw/zinc/67/20/79/351672079.db2.gz PEMSJUWNDMCQEZ-UHFFFAOYSA-N 1 0 185.230 1.476 50 0 in-vitro ADAARO C[C@@]1(C[NH3+])CCO[C@H]1C1CC1 95829737 351673336 /nfs/dbraw/zinc/67/33/36/351673336.db2.gz METUSWSNAQNQDA-IUCAKERBSA-N 1 0 155.241 1.150 50 0 in-vitro ADAARO C[C@@]1(C[NH3+])CCO[C@@H]1C1CC1 95829735 351673893 /nfs/dbraw/zinc/67/38/93/351673893.db2.gz METUSWSNAQNQDA-BDAKNGLRSA-N 1 0 155.241 1.150 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]C2(CC2)C1 95835751 351674559 /nfs/dbraw/zinc/67/45/59/351674559.db2.gz IULJNQJXJDCMOR-LURJTMIESA-N 1 0 111.188 1.148 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]C2(CCC2)C1 95835799 351674572 /nfs/dbraw/zinc/67/45/72/351674572.db2.gz IIQIKRQMNFHIFL-ZETCQYMHSA-N 1 0 125.215 1.539 50 0 in-vitro ADAARO c1ccc2c(c1)CO[C@@]21CC[NH2+]C1 95883582 351674604 /nfs/dbraw/zinc/67/46/04/351674604.db2.gz CFCYRDQMSMOQMZ-LLVKDONJSA-N 1 0 175.231 1.405 50 0 in-vitro ADAARO c1ccc2c(c1)CO[C@@]21CCC[NH2+]C1 95883767 351674713 /nfs/dbraw/zinc/67/47/13/351674713.db2.gz KCAMDBNDUHBEBH-GFCCVEGCSA-N 1 0 189.258 1.796 50 0 in-vitro ADAARO c1ccc2c(c1)CO[C@]21CCC[NH2+]C1 95883768 351674746 /nfs/dbraw/zinc/67/47/46/351674746.db2.gz KCAMDBNDUHBEBH-LBPRGKRZSA-N 1 0 189.258 1.796 50 0 in-vitro ADAARO C[C@@H]1[C@H]([NH3+])CC[C@H](CO)C1(C)C 95942550 351677196 /nfs/dbraw/zinc/67/71/96/351677196.db2.gz WJVBQTINNYBSQR-IWSPIJDZSA-N 1 0 171.284 1.378 50 0 in-vitro ADAARO C[C@@H]1[C@@H]([NH3+])CC[C@H](CO)C1(C)C 95942552 351677246 /nfs/dbraw/zinc/67/72/46/351677246.db2.gz WJVBQTINNYBSQR-HLTSFMKQSA-N 1 0 171.284 1.378 50 0 in-vitro ADAARO CC(C)CC[NH2+][C@](C)(CO)C1CC1 96007194 351678011 /nfs/dbraw/zinc/67/80/11/351678011.db2.gz DVLKVRZJSKJURG-LLVKDONJSA-N 1 0 185.311 1.783 50 0 ADAARO CC(C)CC[NH2+][C@@](C)(CO)C1CC1 96007193 351678596 /nfs/dbraw/zinc/67/85/96/351678596.db2.gz DVLKVRZJSKJURG-NSHDSACASA-N 1 0 185.311 1.783 50 0 ADAARO CC(C)C[C@@]1(CO)CCC[NH2+]1 96300598 351679245 /nfs/dbraw/zinc/67/92/45/351679245.db2.gz KWJAQKNXBIWDPO-SECBINFHSA-N 1 0 157.257 1.147 50 0 in-vitro ADAARO OC[C@]1(Cc2ccccc2)CCC[NH2+]1 96300594 351679272 /nfs/dbraw/zinc/67/92/72/351679272.db2.gz IOAYGUOBWFMGLB-GFCCVEGCSA-N 1 0 191.274 1.344 50 0 in-vitro ADAARO OC[C@@]1(Cc2ccccc2)CCC[NH2+]1 96300593 351679517 /nfs/dbraw/zinc/67/95/17/351679517.db2.gz IOAYGUOBWFMGLB-LBPRGKRZSA-N 1 0 191.274 1.344 50 0 in-vitro ADAARO CC(C)C[C@]1(CO)CCC[NH2+]1 96300597 351679654 /nfs/dbraw/zinc/67/96/54/351679654.db2.gz KWJAQKNXBIWDPO-VIFPVBQESA-N 1 0 157.257 1.147 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)C1 96301144 351680304 /nfs/dbraw/zinc/68/03/04/351680304.db2.gz QWCDTIOGQKLNHC-RNJXMRFFSA-N 1 0 127.231 1.640 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)C1 96301142 351680656 /nfs/dbraw/zinc/68/06/56/351680656.db2.gz QWCDTIOGQKLNHC-FXQIFTODSA-N 1 0 127.231 1.640 50 0 in-vitro ADAARO C[C@@H]1C[N@H+](C)C(C)(C)C[C@H]1O 96372349 351680686 /nfs/dbraw/zinc/68/06/86/351680686.db2.gz VCTKUJRILCIKDW-HTQZYQBOSA-N 1 0 157.257 1.098 50 0 ADAARO OC[C@H]1C[NH2+]C[C@@H]1c1ccccc1F 96663768 351683201 /nfs/dbraw/zinc/68/32/01/351683201.db2.gz IXXLXWFGKFQIDH-SCZZXKLOSA-N 1 0 195.237 1.121 50 0 ADAARO CC[C@@H](C)[NH2+]CCN1CCCCC1 97150293 351684623 /nfs/dbraw/zinc/68/46/23/351684623.db2.gz COHCGKHDVHWHEE-LLVKDONJSA-N 1 0 184.327 1.860 50 0 ADAARO CC(C)(O)[C@H]1CC[C@H]([NH3+])CC1 100003939 351686020 /nfs/dbraw/zinc/68/60/20/351686020.db2.gz IUGMKNUWVITXNR-OCAPTIKFSA-N 1 0 157.257 1.275 50 0 ADAARO C[C@H]1CC[C@@H]([NH3+])CC1 100008245 351686378 /nfs/dbraw/zinc/68/63/78/351686378.db2.gz KSMVBYPXNKCPAJ-LJGSYFOKSA-N 1 0 113.204 1.524 50 0 in-vitro ADAARO O[C@H]1CCN2Cc3ccccc3[NH+]=C12 100051847 351688370 /nfs/dbraw/zinc/68/83/70/351688370.db2.gz YIICVSCAKJMMDJ-JTQLQIEISA-N 1 0 188.230 1.297 50 0 biogenic,in-vitro ADAARO CC(C)=C[NH+](C)C 100441928 351696880 /nfs/dbraw/zinc/69/68/80/351696880.db2.gz IHSJXWLJYTXOCL-UHFFFAOYSA-N 1 0 99.177 1.472 50 0 in-vitro ADAARO CC1=[N+](C)C(C)(C)N(O)C1(C)C 103580610 351708144 /nfs/dbraw/zinc/70/81/44/351708144.db2.gz ZIJCJPXMAUWTHN-UHFFFAOYSA-N 1 0 170.256 1.265 50 0 ADAARO [NH3+]C1CCCC(O)CCC1 104557164 351713742 /nfs/dbraw/zinc/71/37/42/351713742.db2.gz GHLYOGUPTIVVGV-UHFFFAOYSA-N 1 0 143.230 1.029 50 0 ADAARO OC[C@@H]1C[NH2+]C[C@H]1c1cccc(F)c1 104513779 351713838 /nfs/dbraw/zinc/71/38/38/351713838.db2.gz HOJIBLLFDVLDFW-ONGXEEELSA-N 1 0 195.237 1.121 50 0 ADAARO C[C@@H]1C[NH2+][C@@H](C)[C@@H]1C 104602766 351714605 /nfs/dbraw/zinc/71/46/05/351714605.db2.gz YFZJBYQBYKUDMK-QYNIQEEDSA-N 1 0 113.204 1.250 50 0 ADAARO C[C@@H]1C[NH2+][C@H](C)[C@@H]1C 104602759 351714924 /nfs/dbraw/zinc/71/49/24/351714924.db2.gz YFZJBYQBYKUDMK-FSDSQADBSA-N 1 0 113.204 1.250 50 0 ADAARO C[C@@H]1Cc2c[nH+]ccc2N1 104709743 351715565 /nfs/dbraw/zinc/71/55/65/351715565.db2.gz IOFSTFQOYBBFHU-ZCFIWIBFSA-N 1 0 134.182 1.438 50 0 in-vitro ADAARO [NH3+][C@H](CF)c1cccc(F)c1 107118478 351717389 /nfs/dbraw/zinc/71/73/89/351717389.db2.gz HMFRESVNQXINDY-MRVPVSSYSA-N 1 0 157.163 1.795 50 0 ADAARO [NH3+][C@@H](CF)c1cccc(F)c1 107118481 351717408 /nfs/dbraw/zinc/71/74/08/351717408.db2.gz HMFRESVNQXINDY-QMMMGPOBSA-N 1 0 157.163 1.795 50 0 ADAARO Cc1cccc2c1C[NH2+]CCO2 107120232 351717423 /nfs/dbraw/zinc/71/74/23/351717423.db2.gz VLBUBFJVZRQFSA-UHFFFAOYSA-N 1 0 163.220 1.477 50 0 ADAARO COc1cccc([C@H]([NH3+])CF)c1 107121951 351718233 /nfs/dbraw/zinc/71/82/33/351718233.db2.gz ZFPZCGDSODIWIJ-SECBINFHSA-N 1 0 169.199 1.665 50 0 ADAARO [NH3+]C[C@@H]1CCC[C@H]2C[C@H]21 107155931 351718338 /nfs/dbraw/zinc/71/83/38/351718338.db2.gz LNDVUBMELRVYOP-BIIVOSGPSA-N 1 0 125.215 1.381 50 0 ADAARO c1cc([C@H]2CCCC[NH2+]2)on1 107218826 351719122 /nfs/dbraw/zinc/71/91/22/351719122.db2.gz RFUPYFLCTYOWQZ-SSDOTTSWSA-N 1 0 152.197 1.489 50 0 in-vitro ADAARO COc1ccccc1[C@@H]1[NH2+]CC[C@@H]1O 107180931 351719186 /nfs/dbraw/zinc/71/91/86/351719186.db2.gz NKBUGVORLVZHMW-ONGXEEELSA-N 1 0 193.246 1.091 50 0 ADAARO Cc1[nH+]c2n(c1C)CCCN2 107832323 351719971 /nfs/dbraw/zinc/71/99/71/351719971.db2.gz RSBNWVGONVBNSK-UHFFFAOYSA-N 1 0 151.213 1.316 50 0 ADAARO O[C@]1(C(F)(F)F)CCCC[NH2+]C1 107460264 351719982 /nfs/dbraw/zinc/71/99/82/351719982.db2.gz XYBXXPQPAHGYLJ-ZCFIWIBFSA-N 1 0 183.173 1.053 50 0 ADAARO FC(F)(F)[C@@H]1[C@H]2CC[NH2+]C[C@H]21 107881858 351720075 /nfs/dbraw/zinc/72/00/75/351720075.db2.gz NDMYUCOTFFEXFA-KVQBGUIXSA-N 1 0 165.158 1.404 50 0 ADAARO O[C@@]1(C(F)(F)F)CCCC[NH2+]C1 107460262 351720158 /nfs/dbraw/zinc/72/01/58/351720158.db2.gz XYBXXPQPAHGYLJ-LURJTMIESA-N 1 0 183.173 1.053 50 0 ADAARO C[C@@H]1CC[NH2+]CCC1(F)F 110916014 351722470 /nfs/dbraw/zinc/72/24/70/351722470.db2.gz KSDBKSTXUKTKSC-ZCFIWIBFSA-N 1 0 149.184 1.641 50 0 ADAARO C[C@H]1CCC[C@]1(C)[NH3+] 113477005 351722810 /nfs/dbraw/zinc/72/28/10/351722810.db2.gz YRRPKYQXTRFWID-BQBZGAKWSA-N 1 0 113.204 1.524 50 0 ADAARO CC(C)(C)OC(=O)C1(C[NH3+])CCC1 114581831 351723919 /nfs/dbraw/zinc/72/39/19/351723919.db2.gz BCJQZVQFDKFWJE-UHFFFAOYSA-N 1 0 185.267 1.457 50 0 ADAARO COC(=O)[C@@H](C[NH3+])C1CCCCC1 116323583 351724783 /nfs/dbraw/zinc/72/47/83/351724783.db2.gz SSLYRSLFQZIORD-VIFPVBQESA-N 1 0 185.267 1.315 50 0 ADAARO [NH3+][C@H]1CCc2ccccc2-n2ccnc21 117684227 351725577 /nfs/dbraw/zinc/72/55/77/351725577.db2.gz UMFYXYABQLRNNV-JTQLQIEISA-N 1 0 199.257 1.818 50 0 in-vitro ADAARO c1nc(C2C[NH2+]C2)ncc1C1CC1 116975899 351726178 /nfs/dbraw/zinc/72/61/78/351726178.db2.gz MMJBMCLTMMPAFS-UHFFFAOYSA-N 1 0 175.235 1.041 50 0 ADAARO C[C@@H](c1ccccc1)N1CC[C@@H]([NH3+])C1 130752658 351736052 /nfs/dbraw/zinc/73/60/52/351736052.db2.gz UPDDLDNYCOENHW-CMPLNLGQSA-N 1 0 190.290 1.781 50 0 in-vitro ADAARO CC[C@@H](C)[N@@H+]1CCNC[C@H]1C 135081317 351738731 /nfs/dbraw/zinc/73/87/31/351738731.db2.gz LFQMHTLYWHHVFZ-RKDXNWHRSA-N 1 0 156.273 1.079 50 0 ADAARO c1ccc2c(c1)C[C@@H]1C[NH2+]CCCN21 138781679 351743715 /nfs/dbraw/zinc/74/37/15/351743715.db2.gz KWCXBDNAWJYLHS-LLVKDONJSA-N 1 0 188.274 1.411 50 0 in-vitro ADAARO CC1C[C@@H]2CC[C@H](C1)[NH2+]2 141048905 351745029 /nfs/dbraw/zinc/74/50/29/351745029.db2.gz CPTOIRJUTARRLY-IEESLHIDSA-N 1 0 125.215 1.537 50 0 ADAARO O=C(Nc1ccccc1F)[C@H]1CC[NH2+]1 143407647 351746538 /nfs/dbraw/zinc/74/65/38/351746538.db2.gz FUMVLSYVKCPVMC-SECBINFHSA-N 1 0 194.209 1.126 50 0 ADAARO OC[C@H]1CC[N@@H+]1C1CCCCC1 143235434 351746577 /nfs/dbraw/zinc/74/65/77/351746577.db2.gz ZGFZFNXAXDGQGF-SNVBAGLBSA-N 1 0 169.268 1.386 50 0 ADAARO OC[C@@H]1CC[N@@H+]1C1CCCCC1 143235675 351746709 /nfs/dbraw/zinc/74/67/09/351746709.db2.gz ZGFZFNXAXDGQGF-JTQLQIEISA-N 1 0 169.268 1.386 50 0 ADAARO C[C@@H]1CCC[N@@H+]([C@H](C)CN)C1 169616151 351770130 /nfs/dbraw/zinc/77/01/30/351770130.db2.gz UZMIFBCNBIXTAN-RKDXNWHRSA-N 1 0 156.273 1.066 50 0 in-vitro ADAARO C[Si]1(C)CC[NH2+]CC1 197073333 351777453 /nfs/dbraw/zinc/77/74/53/351777453.db2.gz XLWLHLUICDJBDB-UHFFFAOYSA-N 1 0 129.279 1.298 50 0 in-vitro ADAARO OC[C@]1(CC2CC2)CCC[NH2+]C1 205361972 351784481 /nfs/dbraw/zinc/78/44/81/351784481.db2.gz OTTPIZQTOZWLTG-JTQLQIEISA-N 1 0 169.268 1.149 50 0 ADAARO OC[C@@]1(CC2CC2)CCC[NH2+]C1 205361984 351784594 /nfs/dbraw/zinc/78/45/94/351784594.db2.gz OTTPIZQTOZWLTG-SNVBAGLBSA-N 1 0 169.268 1.149 50 0 ADAARO [NH3+][C@@]12CCCC[C@@H]1C2 211961019 351785889 /nfs/dbraw/zinc/78/58/89/351785889.db2.gz UDJSTQSIBVOCMJ-RNFRBKRXSA-N 1 0 111.188 1.278 50 0 in-vitro ADAARO C[C@@H]1CCC[N@@H+]([C@H](C)CO)C1 215633517 351786556 /nfs/dbraw/zinc/78/65/56/351786556.db2.gz IVFMCLNSQCOKJU-RKDXNWHRSA-N 1 0 157.257 1.099 50 0 in-vitro ADAARO C[C@H](C[C@@H](O)C(N)=[NH2+])CC(C)(C)C 216001475 351786959 /nfs/dbraw/zinc/78/69/59/351786959.db2.gz XKOYRINHYXCTFX-HTQZYQBOSA-N 1 0 186.299 1.746 50 0 ADAARO C[C@@H](C[C@@H](O)C(N)=[NH2+])CC(C)(C)C 216001425 351787262 /nfs/dbraw/zinc/78/72/62/351787262.db2.gz XKOYRINHYXCTFX-JGVFFNPUSA-N 1 0 186.299 1.746 50 0 ADAARO C[C@H]1C[C@@H](C)C[N@H+]([C@H](C)CN)C1 216064746 351787524 /nfs/dbraw/zinc/78/75/24/351787524.db2.gz WGEAIYISKQEKLT-KXUCPTDWSA-N 1 0 170.300 1.312 50 0 ADAARO C[C@@H]1C[C@@H](C)C[NH+]([C@H](C)CN)C1 216064797 351787698 /nfs/dbraw/zinc/78/76/98/351787698.db2.gz WGEAIYISKQEKLT-OPRDCNLKSA-N 1 0 170.300 1.312 50 0 ADAARO O[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1)C2 216333799 351787785 /nfs/dbraw/zinc/78/77/85/351787785.db2.gz WAYNFUALTYDWRJ-VXGBXAGGSA-N 1 0 189.258 1.253 50 0 ADAARO C[C@@H]1[C@H]([NH3+])CC[C@@H](CO)C1(C)C 216583751 351788227 /nfs/dbraw/zinc/78/82/27/351788227.db2.gz WJVBQTINNYBSQR-HRDYMLBCSA-N 1 0 171.284 1.378 50 0 in-vitro ADAARO C[C@@H]1[C@@H]([NH3+])CC[C@@H](CO)C1(C)C 216583710 351788418 /nfs/dbraw/zinc/78/84/18/351788418.db2.gz WJVBQTINNYBSQR-VGMNWLOBSA-N 1 0 171.284 1.378 50 0 in-vitro ADAARO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[NH2+]2)C1 224264174 351796520 /nfs/dbraw/zinc/79/65/20/351796520.db2.gz OTTRXXKJZPYVOE-WYUUTHIRSA-N 1 0 197.322 1.926 50 0 in-vitro ADAARO [NH3+]C[C@@H]1CSc2ccccc2O1 225144005 351797179 /nfs/dbraw/zinc/79/71/79/351797179.db2.gz BGRLKUXLPVOZME-SSDOTTSWSA-N 1 0 181.260 1.498 50 0 ADAARO CC[NH2+][C@H]1COCc2ccccc21 225973565 351800514 /nfs/dbraw/zinc/80/05/14/351800514.db2.gz MQHVAFROPKOTHM-NSHDSACASA-N 1 0 177.247 1.867 50 0 ADAARO CC[NH2+][C@@H]1COCc2ccccc21 225973549 351800755 /nfs/dbraw/zinc/80/07/55/351800755.db2.gz MQHVAFROPKOTHM-LLVKDONJSA-N 1 0 177.247 1.867 50 0 ADAARO C[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 228785666 351805871 /nfs/dbraw/zinc/80/58/71/351805871.db2.gz COQYUGZWIWLLRG-GHMZBOCLSA-N 1 0 182.311 1.470 50 0 in-vitro ADAARO [NH3+]C[C@H]1CCC2(CCCC2)O1 229262933 351806899 /nfs/dbraw/zinc/80/68/99/351806899.db2.gz DEHBWYJUBPJWKU-MRVPVSSYSA-N 1 0 155.241 1.437 50 0 ADAARO [NH3+]C[C@@H]1CCC2(CCCC2)O1 229262928 351806916 /nfs/dbraw/zinc/80/69/16/351806916.db2.gz DEHBWYJUBPJWKU-QMMMGPOBSA-N 1 0 155.241 1.437 50 0 ADAARO C[C@@H]1CCC[N@@H+]([C@H]2C[C@@H](C)OC2=O)C1 229710797 351809428 /nfs/dbraw/zinc/80/94/28/351809428.db2.gz QJXFTROFYOAUJY-BBBLOLIVSA-N 1 0 197.278 1.422 50 0 ADAARO CC(C)O[C@H]1CC[NH2+][C@H](C)C1 229552159 351809530 /nfs/dbraw/zinc/80/95/30/351809530.db2.gz WLIWCCFSVLOCRP-BDAKNGLRSA-N 1 0 157.257 1.552 50 0 ADAARO CC(C)O[C@H]1CC[NH2+][C@@H](C)C1 229552142 351809762 /nfs/dbraw/zinc/80/97/62/351809762.db2.gz WLIWCCFSVLOCRP-IUCAKERBSA-N 1 0 157.257 1.552 50 0 ADAARO CC(C)O[C@@H]1CC[NH2+][C@@H](C)C1 229552133 351809780 /nfs/dbraw/zinc/80/97/80/351809780.db2.gz WLIWCCFSVLOCRP-DTWKUNHWSA-N 1 0 157.257 1.552 50 0 ADAARO C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)OC2=O)C1 229710789 351809783 /nfs/dbraw/zinc/80/97/83/351809783.db2.gz QJXFTROFYOAUJY-OPRDCNLKSA-N 1 0 197.278 1.422 50 0 ADAARO CCn1cc([C@@H]2OCCC[C@H]2[NH3+])cn1 234222472 351815365 /nfs/dbraw/zinc/81/53/65/351815365.db2.gz FDJXCDSWLWZOIE-ZJUUUORDSA-N 1 0 195.266 1.082 50 0 ADAARO C[NH+](C)[C@@H]1CCc2ccccc2NC1 234241265 351815915 /nfs/dbraw/zinc/81/59/15/351815915.db2.gz IBNDJMBBVBQZKX-LLVKDONJSA-N 1 0 190.290 1.975 50 0 ADAARO C[NH+](C)[C@H]1CCc2ccccc2NC1 234252556 351815933 /nfs/dbraw/zinc/81/59/33/351815933.db2.gz IBNDJMBBVBQZKX-NSHDSACASA-N 1 0 190.290 1.975 50 0 ADAARO c1ncc(CCC2CC[NH2+]CC2)cn1 238006222 351818073 /nfs/dbraw/zinc/81/80/73/351818073.db2.gz WKVYKUMHSVVGRL-UHFFFAOYSA-N 1 0 191.278 1.409 50 0 ADAARO c1ccc([C@@H]2COC3(COC3)N2)cc1 238048592 351818429 /nfs/dbraw/zinc/81/84/29/351818429.db2.gz CPINVKYVAZMCNX-JTQLQIEISA-N 1 0 191.230 1.074 50 0 ADAARO c1ccc([C@H]2COC3(COC3)N2)cc1 238048650 351818449 /nfs/dbraw/zinc/81/84/49/351818449.db2.gz CPINVKYVAZMCNX-SNVBAGLBSA-N 1 0 191.230 1.074 50 0 ADAARO C[C@H]1C[NH2+]CCN1c1ccncc1F 238472562 351822054 /nfs/dbraw/zinc/82/20/54/351822054.db2.gz JCAZIUYBQKNTQK-QMMMGPOBSA-N 1 0 195.241 1.019 50 0 ADAARO Nc1cccc2c1[C@H]([NH3+])CCC2 238610204 351822652 /nfs/dbraw/zinc/82/26/52/351822652.db2.gz PASFGIBOYBGDQV-SECBINFHSA-N 1 0 162.236 1.605 50 0 ADAARO [NH3+]Cc1c(F)ccc2[nH]cnc12 238606970 351822727 /nfs/dbraw/zinc/82/27/27/351822727.db2.gz XQHFJVABZMPAPQ-UHFFFAOYSA-N 1 0 165.171 1.161 50 0 ADAARO O[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 238833238 351824354 /nfs/dbraw/zinc/82/43/54/351824354.db2.gz AILPVFCDNZXYFP-IVZWLZJFSA-N 1 0 169.268 1.290 50 0 ADAARO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 238833241 351824363 /nfs/dbraw/zinc/82/43/63/351824363.db2.gz AILPVFCDNZXYFP-OPRDCNLKSA-N 1 0 169.268 1.290 50 0 ADAARO CC(C)([NH3+])c1cc(C(F)(F)F)on1 238853222 351824992 /nfs/dbraw/zinc/82/49/92/351824992.db2.gz IRSKYGXXIMIDOP-UHFFFAOYSA-N 1 0 194.156 1.887 50 0 in-vitro ADAARO O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[NH2+]1 238854250 351825663 /nfs/dbraw/zinc/82/56/63/351825663.db2.gz NCZIEQILKFBUKL-GMTAPVOTSA-N 1 0 183.295 1.680 50 0 in-vitro ADAARO O[C@@H]1CCCC[C@H]1[C@H]1CCC[NH2+]1 238854522 351825736 /nfs/dbraw/zinc/82/57/36/351825736.db2.gz OEMWXHAJDDYVBK-IVZWLZJFSA-N 1 0 169.268 1.290 50 0 in-vitro ADAARO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 238854524 351825741 /nfs/dbraw/zinc/82/57/41/351825741.db2.gz OEMWXHAJDDYVBK-OPRDCNLKSA-N 1 0 169.268 1.290 50 0 in-vitro ADAARO C[C@@H]1C[NH2+][C@H]2CCCC[C@H]2O1 238854506 351825750 /nfs/dbraw/zinc/82/57/50/351825750.db2.gz OBXYMHAJTBIDRM-HRDYMLBCSA-N 1 0 155.241 1.306 50 0 in-vitro ADAARO C[C@@]1(CC[NH3+])CC1(Cl)Cl 238855038 351825785 /nfs/dbraw/zinc/82/57/85/351825785.db2.gz QFULRTHOYNSXGO-RXMQYKEDSA-N 1 0 168.067 1.919 50 0 ADAARO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[NH2+]2)C1 238854667 351825792 /nfs/dbraw/zinc/82/57/92/351825792.db2.gz OTTRXXKJZPYVOE-KKOKHZNYSA-N 1 0 197.322 1.926 50 0 in-vitro ADAARO O[C@@H]1CCCC[C@H]1[C@H]1CCCC[NH2+]1 238854251 351825847 /nfs/dbraw/zinc/82/58/47/351825847.db2.gz NCZIEQILKFBUKL-HBNTYKKESA-N 1 0 183.295 1.680 50 0 in-vitro ADAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCNC1 238855160 351825859 /nfs/dbraw/zinc/82/58/59/351825859.db2.gz QQRILNLFDBBTQQ-MXWKQRLJSA-N 1 0 182.311 1.611 50 0 ADAARO C[C@@H]1C[NH2+][C@@H]2CCCC[C@H]2O1 238854507 351825887 /nfs/dbraw/zinc/82/58/87/351825887.db2.gz OBXYMHAJTBIDRM-IWSPIJDZSA-N 1 0 155.241 1.306 50 0 in-vitro ADAARO C[C@H]1C[C@H](C)[NH2+][C@H](C)C1 242495413 351827524 /nfs/dbraw/zinc/82/75/24/351827524.db2.gz GELXVDNNZSIRQA-WHUPJOBBSA-N 1 0 127.231 1.783 50 0 ADAARO C[C@@H]1CCCCN1[C@H]1CCC[NH2+]C1 248095323 351830715 /nfs/dbraw/zinc/83/07/15/351830715.db2.gz XLGDVRUTJTXZGE-MNOVXSKESA-N 1 0 182.311 1.613 50 0 ADAARO C[C@@H]1C[NH2+]CCC[C@]1(O)C(F)(F)F 248095673 351830854 /nfs/dbraw/zinc/83/08/54/351830854.db2.gz XYNRXHIKRBEAIV-RNFRBKRXSA-N 1 0 197.200 1.299 50 0 ADAARO CC[N@@H+]1CC[C@@H](C)C[C@H]1CN 250198571 351831308 /nfs/dbraw/zinc/83/13/08/351831308.db2.gz BCOKJOFWSIYDFK-BDAKNGLRSA-N 1 0 156.273 1.066 50 0 ADAARO CN1c2ccccc2[C@@H]2C[NH2+]CC[C@H]21 250374601 351831841 /nfs/dbraw/zinc/83/18/41/351831841.db2.gz JZNDLEDDYQQRAL-CMPLNLGQSA-N 1 0 188.274 1.582 50 0 ADAARO C[NH2+][C@]1(C)[C@H](C(C)C)CC[C@]1(C)O 252430964 351838510 /nfs/dbraw/zinc/83/85/10/351838510.db2.gz WFYLMIPDAJFKSH-GARJFASQSA-N 1 0 185.311 1.782 50 0 ADAARO C[NH2+][C@]1(C)[C@@H](C(C)C)CC[C@]1(C)O 252430965 351838642 /nfs/dbraw/zinc/83/86/42/351838642.db2.gz WFYLMIPDAJFKSH-OUAUKWLOSA-N 1 0 185.311 1.782 50 0 ADAARO CC(C)([NH3+])c1cc(C(F)F)on1 253425398 351845476 /nfs/dbraw/zinc/84/54/76/351845476.db2.gz CWLYKOPSGIKXKD-UHFFFAOYSA-N 1 0 176.166 1.806 50 0 ADAARO [NH3+]C1(CC(F)(F)F)CCOCC1 257822070 351851449 /nfs/dbraw/zinc/85/14/49/351851449.db2.gz GBTKOPCFZVQWIQ-UHFFFAOYSA-N 1 0 183.173 1.447 50 0 ADAARO CC(F)(F)C1(C[NH3+])CC1 257828382 351851896 /nfs/dbraw/zinc/85/18/96/351851896.db2.gz IKNZCLMMBPOYHP-UHFFFAOYSA-N 1 0 135.157 1.381 50 0 ADAARO C[C@H]([NH3+])C1CC(F)(F)C1 257837189 351852795 /nfs/dbraw/zinc/85/27/95/351852795.db2.gz MMMZCKISFQKEQO-BYPYZUCNSA-N 1 0 135.157 1.379 50 0 ADAARO C[C@H]([NH3+])[C@]12CCCC[C@H]1C2 257969777 351856116 /nfs/dbraw/zinc/85/61/16/351856116.db2.gz IBGQFOMTASFTPY-XHNCKOQMSA-N 1 0 139.242 1.914 50 0 in-vitro ADAARO C1C[NH2+][C@@H](C2CCC2)CSC1 257970569 351856248 /nfs/dbraw/zinc/85/62/48/351856248.db2.gz YPNAWUIOXCMYPD-SECBINFHSA-N 1 0 171.309 1.882 50 0 ADAARO C1C[NH2+][C@H](C2CCC2)CSC1 257970573 351856310 /nfs/dbraw/zinc/85/63/10/351856310.db2.gz YPNAWUIOXCMYPD-VIFPVBQESA-N 1 0 171.309 1.882 50 0 ADAARO Cc1ncc(C[NH2+]C2CC2)o1 258365815 351861162 /nfs/dbraw/zinc/86/11/62/351861162.db2.gz ZNSAIYJUVJRMCR-UHFFFAOYSA-N 1 0 152.197 1.235 50 0 ADAARO C[C@@]1(C(F)(F)F)CCC[NH2+]C1 258565338 351864531 /nfs/dbraw/zinc/86/45/31/351864531.db2.gz QXXGUHJGQNGOJJ-ZCFIWIBFSA-N 1 0 167.174 1.938 50 0 ADAARO C[C@]1(C(F)(F)F)CCC[NH2+]C1 258565336 351864616 /nfs/dbraw/zinc/86/46/16/351864616.db2.gz QXXGUHJGQNGOJJ-LURJTMIESA-N 1 0 167.174 1.938 50 0 ADAARO C[C@H]1C[NH2+]C[C@@H](C)C1(F)F 258656831 351865561 /nfs/dbraw/zinc/86/55/61/351865561.db2.gz ZYRQFDWQZXHTCE-OLQVQODUSA-N 1 0 149.184 1.497 50 0 ADAARO C[C@@H]1C[NH2+]C[C@@H](C)C1(F)F 258656849 351865859 /nfs/dbraw/zinc/86/58/59/351865859.db2.gz ZYRQFDWQZXHTCE-PHDIDXHHSA-N 1 0 149.184 1.497 50 0 ADAARO CCC(F)(F)C(C)(C)[NH3+] 259039131 351869096 /nfs/dbraw/zinc/86/90/96/351869096.db2.gz FLMPKRGRBSIHRL-UHFFFAOYSA-N 1 0 137.173 1.769 50 0 ADAARO CC1(C)CC(C)([NH3+])C1 259092421 351869763 /nfs/dbraw/zinc/86/97/63/351869763.db2.gz DHBXJPMOXFTSQC-UHFFFAOYSA-N 1 0 113.204 1.524 50 0 ADAARO CC(C)([NH3+])c1ccncc1Cl 259110211 351869901 /nfs/dbraw/zinc/86/99/01/351869901.db2.gz FGJJKRSUWGOXFP-UHFFFAOYSA-N 1 0 170.643 1.929 50 0 ADAARO C[C@@]1(F)CC[NH2+]C[C@@H]1F 261507846 351891985 /nfs/dbraw/zinc/89/19/85/351891985.db2.gz MVLFOADGNMQTJM-NTSWFWBYSA-N 1 0 135.157 1.046 50 0 ADAARO C[C@@]1(F)CC[NH2+]C[C@H]1F 261507847 351892039 /nfs/dbraw/zinc/89/20/39/351892039.db2.gz MVLFOADGNMQTJM-PHDIDXHHSA-N 1 0 135.157 1.046 50 0 ADAARO C[C@]1(F)CC[NH2+]C[C@@H]1F 261507849 351892078 /nfs/dbraw/zinc/89/20/78/351892078.db2.gz MVLFOADGNMQTJM-WDSKDSINSA-N 1 0 135.157 1.046 50 0 ADAARO C[C@]1(F)CC[NH2+]C[C@H]1F 261507848 351892114 /nfs/dbraw/zinc/89/21/14/351892114.db2.gz MVLFOADGNMQTJM-RITPCOANSA-N 1 0 135.157 1.046 50 0 ADAARO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[NH2+]1 299805468 351892708 /nfs/dbraw/zinc/89/27/08/351892708.db2.gz PJTBLEVEWWCANQ-RKDXNWHRSA-N 1 0 199.294 1.716 50 0 ADAARO CC1(CC(F)(F)F)C[NH2+]C1 299805434 351892726 /nfs/dbraw/zinc/89/27/26/351892726.db2.gz NZNKFXZQISDNJX-UHFFFAOYSA-N 1 0 153.147 1.548 50 0 ADAARO C[C@H]1[NH2+]CCC[C@@H]1C(=O)OC(C)(C)C 299805585 351892727 /nfs/dbraw/zinc/89/27/27/351892727.db2.gz WCPOCOGPKKHOIS-BDAKNGLRSA-N 1 0 199.294 1.716 50 0 ADAARO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[NH2+]1 299805467 351892767 /nfs/dbraw/zinc/89/27/67/351892767.db2.gz PJTBLEVEWWCANQ-IUCAKERBSA-N 1 0 199.294 1.716 50 0 ADAARO C[C@@H]1C[NH2+][C@@H](C)[C@H]1C 299805625 351892778 /nfs/dbraw/zinc/89/27/78/351892778.db2.gz YFZJBYQBYKUDMK-VQVTYTSYSA-N 1 0 113.204 1.250 50 0 ADAARO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)OC(C)(C)C 299805587 351892779 /nfs/dbraw/zinc/89/27/79/351892779.db2.gz WCPOCOGPKKHOIS-IUCAKERBSA-N 1 0 199.294 1.716 50 0 ADAARO C[C@H]1[NH2+]CCC[C@H]1C(=O)OC(C)(C)C 299805588 351892781 /nfs/dbraw/zinc/89/27/81/351892781.db2.gz WCPOCOGPKKHOIS-RKDXNWHRSA-N 1 0 199.294 1.716 50 0 ADAARO C[C@H]([NH3+])[C@H]1CCC(F)(F)C1 300750937 351896974 /nfs/dbraw/zinc/89/69/74/351896974.db2.gz RGDLMWCOMQHALL-WDSKDSINSA-N 1 0 149.184 1.769 50 0 ADAARO C[C@@H]([NH3+])[C@H]1CCC(F)(F)C1 300750936 351896979 /nfs/dbraw/zinc/89/69/79/351896979.db2.gz RGDLMWCOMQHALL-RITPCOANSA-N 1 0 149.184 1.769 50 0 ADAARO CC1(C)[C@@H](C[NH3+])C1(F)F 306311032 351918952 /nfs/dbraw/zinc/91/89/52/351918952.db2.gz UTNUCECZJQCGGS-SCSAIBSYSA-N 1 0 135.157 1.236 50 0 ADAARO CC1(C)[C@H](C[NH3+])C1(F)F 306311030 351918972 /nfs/dbraw/zinc/91/89/72/351918972.db2.gz UTNUCECZJQCGGS-BYPYZUCNSA-N 1 0 135.157 1.236 50 0 ADAARO c1cnn(CC[NH+]2CCCCCC2)c1 306704337 351957510 /nfs/dbraw/zinc/95/75/10/351957510.db2.gz DVAMYUBEOBTJLM-UHFFFAOYSA-N 1 0 193.294 1.759 50 0 ADAARO C[C@@H]1OCC[C@@H]1[NH2+]C1CC(F)(F)C1 307103017 351986959 /nfs/dbraw/zinc/98/69/59/351986959.db2.gz ALCCKHPTRYQYOO-XPUUQOCRSA-N 1 0 191.221 1.551 50 0 ADAARO C[C@@H]1OCC[C@H]1[NH2+]C1CC(F)(F)C1 307103010 351986969 /nfs/dbraw/zinc/98/69/69/351986969.db2.gz ALCCKHPTRYQYOO-POYBYMJQSA-N 1 0 191.221 1.551 50 0 ADAARO C1CC2(C1)CC1(C[NH2+]C1)C2 307278025 352000486 /nfs/dbraw/zinc/00/04/86/352000486.db2.gz STTOMNRVUDESID-UHFFFAOYSA-N 1 0 137.226 1.540 50 0 ADAARO C[C@@H]1CC[NH2+]C[C@H]1C(=O)OC(C)(C)C 307373678 352008018 /nfs/dbraw/zinc/00/80/18/352008018.db2.gz SCOXNEUUDLBZHE-RKDXNWHRSA-N 1 0 199.294 1.574 50 0 ADAARO C[C@@H]1CC[NH2+]C[C@@H]1C(=O)OC(C)(C)C 307373675 352008027 /nfs/dbraw/zinc/00/80/27/352008027.db2.gz SCOXNEUUDLBZHE-BDAKNGLRSA-N 1 0 199.294 1.574 50 0 ADAARO C[C@H]1CC[NH2+]C[C@H]1C(=O)OC(C)(C)C 307373676 352008072 /nfs/dbraw/zinc/00/80/72/352008072.db2.gz SCOXNEUUDLBZHE-DTWKUNHWSA-N 1 0 199.294 1.574 50 0 ADAARO C[C@H]1CC[NH2+]C[C@@H]1C(=O)OC(C)(C)C 307373677 352008145 /nfs/dbraw/zinc/00/81/45/352008145.db2.gz SCOXNEUUDLBZHE-IUCAKERBSA-N 1 0 199.294 1.574 50 0 ADAARO Cc1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 307449876 352014133 /nfs/dbraw/zinc/01/41/33/352014133.db2.gz NNPOQSUYIJAHSA-WPRPVWTQSA-N 1 0 193.250 1.019 50 0 ADAARO CCN(CC)C(=O)n1ccc(=[NH2+])cc1 379714667 352153296 /nfs/dbraw/zinc/15/32/96/352153296.db2.gz UBFORGANDGMYPX-UHFFFAOYSA-N 1 0 193.250 1.277 50 0 ADAARO CC(C)CCNC1=[NH+]CCCCN1 521396960 352162891 /nfs/dbraw/zinc/16/28/91/352162891.db2.gz VLGMODCFQACJOI-UHFFFAOYSA-N 1 0 183.299 1.362 50 0 ADAARO [NH3+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@H]12 521398429 352163016 /nfs/dbraw/zinc/16/30/16/352163016.db2.gz GXQQKUOFTSWVRE-KXUCPTDWSA-N 1 0 163.195 1.423 50 0 ADAARO [NH3+][C@@H]1CC=CC[C@H]1C(F)(F)F 521398284 352163102 /nfs/dbraw/zinc/16/31/02/352163102.db2.gz KEYUVRNLNKMSNC-PHDIDXHHSA-N 1 0 165.158 1.842 50 0 ADAARO CCC1(CNC2=[NH+]CCCCN2)CC1 521396961 352163113 /nfs/dbraw/zinc/16/31/13/352163113.db2.gz WDSFQCAIKYAZFN-UHFFFAOYSA-N 1 0 195.310 1.506 50 0 ADAARO Cn1ncc2c1CC(C)(C)C[NH2+]C2 536948710 352188915 /nfs/dbraw/zinc/18/89/15/352188915.db2.gz GJSDCRGCOQJFRV-UHFFFAOYSA-N 1 0 179.267 1.092 50 0 in-vitro ADAARO CC[C@@]1(C(F)(F)F)C[NH2+]CCO1 536949643 352189672 /nfs/dbraw/zinc/18/96/72/352189672.db2.gz FEOPNXQULKGMKG-LURJTMIESA-N 1 0 183.173 1.317 50 0 ADAARO CC1(C)C[NH2+]Cc2c[nH]nc2C1 536948777 352189699 /nfs/dbraw/zinc/18/96/99/352189699.db2.gz WTRISRPFOHFYNZ-UHFFFAOYSA-N 1 0 165.240 1.082 50 0 ADAARO C[C@]1(C[NH3+])CCOC2(CCC2)C1 536952864 352191326 /nfs/dbraw/zinc/19/13/26/352191326.db2.gz HQPWMHCEQHRCPG-VIFPVBQESA-N 1 0 169.268 1.685 50 0 ADAARO [NH3+][C@@H]1CCC[C@@H]2C[C@H]2CC1 536953077 352191387 /nfs/dbraw/zinc/19/13/87/352191387.db2.gz RMEDTMKYQJMXNB-IWSPIJDZSA-N 1 0 139.242 1.914 50 0 ADAARO CSC[C@H]1CC[C@H]([NH3+])CC1 575442684 352205904 /nfs/dbraw/zinc/20/59/04/352205904.db2.gz DTQPLYIZDFXBGM-ZKCHVHJHSA-N 1 0 159.298 1.867 50 0 ADAARO CSCC1CC([NH3+])C1 575458602 352237951 /nfs/dbraw/zinc/23/79/51/352237951.db2.gz HMWNNNMZXBDTFW-UHFFFAOYSA-N 1 0 131.244 1.087 50 0 ADAARO FC1(F)CCC2(CC1)C[NH2+]CCO2 575466425 352266919 /nfs/dbraw/zinc/26/69/19/352266919.db2.gz ZHELATJEMNCGSJ-UHFFFAOYSA-N 1 0 191.221 1.554 50 0 ADAARO C[NH2+]Cc1c(F)cncc1F 575468181 352274457 /nfs/dbraw/zinc/27/44/57/352274457.db2.gz JSECRNCDYWJOBF-UHFFFAOYSA-N 1 0 158.151 1.079 50 0 ADAARO C[NH2+]CC(C)(C)C(F)(F)F 575478804 352297400 /nfs/dbraw/zinc/29/74/00/352297400.db2.gz APMUPLSNJSLSGR-UHFFFAOYSA-N 1 0 155.163 1.794 50 0 ADAARO C[C@@H]([NH3+])C1CC2(CCC2)C1 575487777 352344423 /nfs/dbraw/zinc/34/44/23/352344423.db2.gz VWHKUPYISDJQIH-SSDOTTSWSA-N 1 0 139.242 1.914 50 0 ADAARO C[C@H]([NH3+])C1CC2(CCC2)C1 575487780 352344572 /nfs/dbraw/zinc/34/45/72/352344572.db2.gz VWHKUPYISDJQIH-ZETCQYMHSA-N 1 0 139.242 1.914 50 0 ADAARO CC1(C[NH3+])CC2(CCC2)C1 575491115 352361063 /nfs/dbraw/zinc/36/10/63/352361063.db2.gz RAMWTIQGWMSBJY-UHFFFAOYSA-N 1 0 139.242 1.916 50 0 ADAARO C[NH2+]Cc1ccnc(F)c1F 575492095 352365699 /nfs/dbraw/zinc/36/56/99/352365699.db2.gz UPUBCRGKNANROL-UHFFFAOYSA-N 1 0 158.151 1.079 50 0 ADAARO [NH3+]CCC[C@@H]1CC1(F)F 575494028 352376690 /nfs/dbraw/zinc/37/66/90/352376690.db2.gz TYTCYASINZODPO-RXMQYKEDSA-N 1 0 135.157 1.381 50 0 ADAARO [NH3+]CCC[C@H]1CC1(F)F 575494029 352376515 /nfs/dbraw/zinc/37/65/15/352376515.db2.gz TYTCYASINZODPO-YFKPBYRVSA-N 1 0 135.157 1.381 50 0 ADAARO F[C@H]1CNCC[C@H]1[NH+]1CCCCC1 575499013 352398337 /nfs/dbraw/zinc/39/83/37/352398337.db2.gz PPNYOPTVJSKOPB-VHSXEESVSA-N 1 0 186.274 1.172 50 0 ADAARO [NH3+]Cc1ncoc1C(F)F 575519786 352509117 /nfs/dbraw/zinc/50/91/17/352509117.db2.gz VLDIJHNFXUULSX-UHFFFAOYSA-N 1 0 148.112 1.071 50 0 ADAARO CC[C@H]1[NH2+]CC[C@H]1N1CCCCC1 575548034 352629162 /nfs/dbraw/zinc/62/91/62/352629162.db2.gz AHNNHBYAZQYJBC-GHMZBOCLSA-N 1 0 182.311 1.613 50 0 ADAARO CC[C@@H]1[NH2+]CC[C@@H]1N1CCCCC1 575548037 352629224 /nfs/dbraw/zinc/62/92/24/352629224.db2.gz AHNNHBYAZQYJBC-QWRGUYRKSA-N 1 0 182.311 1.613 50 0 ADAARO CC[C@@H]1[NH2+]CC[C@H]1N1CCCCC1 575548038 352629277 /nfs/dbraw/zinc/62/92/77/352629277.db2.gz AHNNHBYAZQYJBC-WDEREUQCSA-N 1 0 182.311 1.613 50 0 ADAARO CC[C@@H]1[NH2+]CC[C@H]1N1CCCC1 575550703 352639419 /nfs/dbraw/zinc/63/94/19/352639419.db2.gz VPNWARVBIWQBQX-VHSXEESVSA-N 1 0 168.284 1.223 50 0 ADAARO CC[C@H]1[NH2+]CC[C@@H]1N1CCCC1 575550705 352639508 /nfs/dbraw/zinc/63/95/08/352639508.db2.gz VPNWARVBIWQBQX-ZJUUUORDSA-N 1 0 168.284 1.223 50 0 ADAARO CC[C@@H]1[NH2+]CC[C@@H]1N1CCCC1 575550700 352639625 /nfs/dbraw/zinc/63/96/25/352639625.db2.gz VPNWARVBIWQBQX-UWVGGRQHSA-N 1 0 168.284 1.223 50 0 ADAARO CC[C@H]1[NH2+]CC[C@H]1N1CCCC1 575550699 352639687 /nfs/dbraw/zinc/63/96/87/352639687.db2.gz VPNWARVBIWQBQX-NXEZZACHSA-N 1 0 168.284 1.223 50 0 ADAARO CC1([NH3+])C[C@@H]2CC[C@H](C1)S2 575556756 352661113 /nfs/dbraw/zinc/66/11/13/352661113.db2.gz QTKQZTIJHNFSSA-DHBOJHSNSA-N 1 0 157.282 1.762 50 0 ADAARO C[C@H]1CCCC[C@H]1C(=O)C[NH3+] 575559734 352673457 /nfs/dbraw/zinc/67/34/57/352673457.db2.gz XJXYQVOYLQZSSY-JGVFFNPUSA-N 1 0 155.241 1.341 50 0 ADAARO C[C@@H]1CCCC[C@H]1C(=O)C[NH3+] 575559733 352673526 /nfs/dbraw/zinc/67/35/26/352673526.db2.gz XJXYQVOYLQZSSY-HTQZYQBOSA-N 1 0 155.241 1.341 50 0 ADAARO C[C@H]1CCCC[C@@H]1C(=O)C[NH3+] 575559736 352673638 /nfs/dbraw/zinc/67/36/38/352673638.db2.gz XJXYQVOYLQZSSY-YUMQZZPRSA-N 1 0 155.241 1.341 50 0 ADAARO C[C@@H]1CCCC[C@@H]1C(=O)C[NH3+] 575559735 352673645 /nfs/dbraw/zinc/67/36/45/352673645.db2.gz XJXYQVOYLQZSSY-SFYZADRCSA-N 1 0 155.241 1.341 50 0 ADAARO C[C@@H]([NH3+])C(C)(C)C(F)F 575568810 352718431 /nfs/dbraw/zinc/71/84/31/352718431.db2.gz HWYSAQFUXMCRQD-SCSAIBSYSA-N 1 0 137.173 1.625 50 0 ADAARO C[C@H]([NH3+])C(C)(C)C(F)F 575568806 352718578 /nfs/dbraw/zinc/71/85/78/352718578.db2.gz HWYSAQFUXMCRQD-BYPYZUCNSA-N 1 0 137.173 1.625 50 0 ADAARO NCC[N@@H+]1CCCC2(CC1)CC2 575581108 352780191 /nfs/dbraw/zinc/78/01/91/352780191.db2.gz JTUADLBXCQXPAX-UHFFFAOYSA-N 1 0 168.284 1.211 50 0 ADAARO CN1CC(C)(C)CC[C@H]1C[NH3+] 575595043 352852247 /nfs/dbraw/zinc/85/22/47/352852247.db2.gz SRVTUEVPWVXHLB-QMMMGPOBSA-N 1 0 156.273 1.066 50 0 ADAARO CN1CC(C)(C)CC[C@@H]1C[NH3+] 575595042 352852347 /nfs/dbraw/zinc/85/23/47/352852347.db2.gz SRVTUEVPWVXHLB-MRVPVSSYSA-N 1 0 156.273 1.066 50 0 ADAARO C[C@H]1C[NH2+]CC[C@@H](C(F)(F)F)O1 616582858 352931740 /nfs/dbraw/zinc/93/17/40/352931740.db2.gz OPZMNTLJZPVLJS-WDSKDSINSA-N 1 0 183.173 1.316 50 0 ADAARO C[C@@H]1C[NH2+]CC[C@@H](C(F)(F)F)O1 616582856 352931751 /nfs/dbraw/zinc/93/17/51/352931751.db2.gz OPZMNTLJZPVLJS-RITPCOANSA-N 1 0 183.173 1.316 50 0 ADAARO C[C@H]1C[NH2+]CC[C@H](C(F)(F)F)O1 616582850 352931897 /nfs/dbraw/zinc/93/18/97/352931897.db2.gz OPZMNTLJZPVLJS-NTSWFWBYSA-N 1 0 183.173 1.316 50 0 ADAARO [NH3+]CCC1(C(F)(F)F)N=N1 616582875 352932099 /nfs/dbraw/zinc/93/20/99/352932099.db2.gz PEUOAUPUTPQHPF-UHFFFAOYSA-N 1 0 153.107 1.060 50 0 ADAARO C[C@@H]1C[NH2+]CC[C@H](C(F)(F)F)O1 616582852 352932324 /nfs/dbraw/zinc/93/23/24/352932324.db2.gz OPZMNTLJZPVLJS-PHDIDXHHSA-N 1 0 183.173 1.316 50 0 ADAARO c1ccc([C@H]2[NH2+]CCCO2)cc1 5758237 371619163 /nfs/dbraw/zinc/61/91/63/371619163.db2.gz TVHBYFZBZQWTFS-JTQLQIEISA-N 1 0 163.220 1.695 50 0 ADAARO CC(C)C[NH2+]Cc1cccnc1 5817304 371619663 /nfs/dbraw/zinc/61/96/63/371619663.db2.gz VRLHLCWWRNNISC-UHFFFAOYSA-N 1 0 164.252 1.827 50 0 ADAARO CC(C)(O)[C@@H]([NH3+])c1ccccc1 5962403 371620926 /nfs/dbraw/zinc/62/09/26/371620926.db2.gz FAKPSIGKWYUNJZ-VIFPVBQESA-N 1 0 165.236 1.457 50 0 in-vitro ADAARO C[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@H]12 6008140 371620945 /nfs/dbraw/zinc/62/09/45/371620945.db2.gz LVDLOGDWSPRQQJ-IVZWLZJFSA-N 1 0 169.268 1.290 50 0 ADAARO C[C@@H]1C[NH+]=C(c2ccc(N)cc2)N1 16123873 371622516 /nfs/dbraw/zinc/62/25/16/371622516.db2.gz KLKKLKAARKRYCV-SSDOTTSWSA-N 1 0 175.235 1.007 50 0 ADAARO CC(C)OC[C@H]1CCC[NH2+]C1 19428778 371626684 /nfs/dbraw/zinc/62/66/84/371626684.db2.gz UHZRAAYOLKPZNG-VIFPVBQESA-N 1 0 157.257 1.411 50 0 ADAARO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CN)C1 19432859 371626721 /nfs/dbraw/zinc/62/67/21/371626721.db2.gz ZNZYNDGDFJIBTF-NXEZZACHSA-N 1 0 184.327 1.702 50 0 in-vitro ADAARO CN(C)C(=O)C[C@H]([NH3+])c1ccccc1 19429073 371626883 /nfs/dbraw/zinc/62/68/83/371626883.db2.gz DMNMWGMDLPLQAL-JTQLQIEISA-N 1 0 192.262 1.165 50 0 in-vitro ADAARO CC(C)OC[C@@H]1CCC[NH2+]C1 19428776 371626932 /nfs/dbraw/zinc/62/69/32/371626932.db2.gz UHZRAAYOLKPZNG-SECBINFHSA-N 1 0 157.257 1.411 50 0 ADAARO CN(C)C(=O)C[C@@H]([NH3+])c1ccccc1 19429071 371627234 /nfs/dbraw/zinc/62/72/34/371627234.db2.gz DMNMWGMDLPLQAL-SNVBAGLBSA-N 1 0 192.262 1.165 50 0 in-vitro ADAARO CC(C)([NH3+])c1cccnc1 19682463 371628057 /nfs/dbraw/zinc/62/80/57/371628057.db2.gz FXIBFBGQYAPGLP-UHFFFAOYSA-N 1 0 136.198 1.275 50 0 in-vitro ADAARO C[C@@H]1[NH2+]CCc2ccccc21 19624599 371628079 /nfs/dbraw/zinc/62/80/79/371628079.db2.gz QPILYVQSKNWRDD-QMMMGPOBSA-N 1 0 147.221 1.893 50 0 in-vitro ADAARO CC(C)CC(C)(C)[NH3+] 19682456 371628100 /nfs/dbraw/zinc/62/81/00/371628100.db2.gz BFUITLGNKICXGA-UHFFFAOYSA-N 1 0 115.220 1.770 50 0 ADAARO C[C@@H]1CC[C@H]([N@H+](C)CCN(C)C)C1 19642233 371628106 /nfs/dbraw/zinc/62/81/06/371628106.db2.gz DLTSRPPQOXORJH-MNOVXSKESA-N 1 0 184.327 1.668 50 0 ADAARO CC(C)([NH3+])C(=O)NCc1ccccc1 19672370 371628230 /nfs/dbraw/zinc/62/82/30/371628230.db2.gz KZPBFTRHNWLQID-UHFFFAOYSA-N 1 0 192.262 1.040 50 0 ADAARO CC(C)([NH3+])c1ccc2c(c1)OCCO2 19673403 371628313 /nfs/dbraw/zinc/62/83/13/371628313.db2.gz YPFDLRYEJXXVQK-UHFFFAOYSA-N 1 0 193.246 1.652 50 0 in-vitro ADAARO CC(C)([NH3+])C(=O)Nc1ccccc1 19672517 371628362 /nfs/dbraw/zinc/62/83/62/371628362.db2.gz JAYWADDVMGWPRQ-UHFFFAOYSA-N 1 0 178.235 1.362 50 0 ADAARO CC(C)([NH3+])c1ccncc1 19682465 371628565 /nfs/dbraw/zinc/62/85/65/371628565.db2.gz RBODGSBXYRGECX-UHFFFAOYSA-N 1 0 136.198 1.275 50 0 in-vitro ADAARO C[C@@H]1CC[C@@H]([N@H+](C)CCN(C)C)C1 19642222 371628732 /nfs/dbraw/zinc/62/87/32/371628732.db2.gz DLTSRPPQOXORJH-GHMZBOCLSA-N 1 0 184.327 1.668 50 0 ADAARO CC(C)([NH3+])c1ccccn1 19682460 371628890 /nfs/dbraw/zinc/62/88/90/371628890.db2.gz DQSQBZXDMHDHEO-UHFFFAOYSA-N 1 0 136.198 1.275 50 0 in-vitro ADAARO CC(C)([NH3+])C(=O)Nc1cccc(F)c1 19672647 371629129 /nfs/dbraw/zinc/62/91/29/371629129.db2.gz AMBHFRUOFVAXNL-UHFFFAOYSA-N 1 0 196.225 1.502 50 0 ADAARO O[C@H](C[NH+]1CCCC1)C(F)(F)F 32228568 371630590 /nfs/dbraw/zinc/63/05/90/371630590.db2.gz NFDYPZXRSNWUHC-ZCFIWIBFSA-N 1 0 183.173 1.005 50 0 in-vitro ADAARO c1ccc2c(c1)CCC[NH2+]CC2 147584798 371665626 /nfs/dbraw/zinc/66/56/26/371665626.db2.gz UPQCFWKOZOXUSC-UHFFFAOYSA-N 1 0 161.248 1.765 50 0 ADAARO c1ccc2c(c1)CC[C@@]1(CC[NH2+]C1)O2 36141974 371632984 /nfs/dbraw/zinc/63/29/84/371632984.db2.gz AJZFKHVALQAIRJ-LBPRGKRZSA-N 1 0 189.258 1.744 50 0 in-vitro ADAARO CC(C)CO[C@H]1CC[NH2+]C1 36142128 371633005 /nfs/dbraw/zinc/63/30/05/371633005.db2.gz BRUPCLNAJKBMLS-QMMMGPOBSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO CC(C)([NH3+])c1ccc2c(c1)OCO2 36156364 371633102 /nfs/dbraw/zinc/63/31/02/371633102.db2.gz JQMKHUHIDJZOLW-UHFFFAOYSA-N 1 0 179.219 1.609 50 0 in-vitro ADAARO c1ccc2c(c1)CC[C@]1(CC[NH2+]C1)O2 36141973 371633167 /nfs/dbraw/zinc/63/31/67/371633167.db2.gz AJZFKHVALQAIRJ-GFCCVEGCSA-N 1 0 189.258 1.744 50 0 in-vitro ADAARO CC(C)CO[C@@H]1CC[NH2+]C1 36142127 371633173 /nfs/dbraw/zinc/63/31/73/371633173.db2.gz BRUPCLNAJKBMLS-MRVPVSSYSA-N 1 0 143.230 1.021 50 0 in-vitro ADAARO CCOc1cc(C)ccc1C[NH3+] 51580347 371635615 /nfs/dbraw/zinc/63/56/15/371635615.db2.gz RASYGGHGWXNHPJ-UHFFFAOYSA-N 1 0 165.236 1.852 50 0 in-vitro ADAARO C[C@@]1(C[NH3+])CCCS1 75767019 371648306 /nfs/dbraw/zinc/64/83/06/371648306.db2.gz YJPBMPPMCQRVHC-LURJTMIESA-N 1 0 131.244 1.231 50 0 in-vitro ADAARO C[C@@H]1CC[NH2+]C[C@H]1n1ccnc1 75772065 371648576 /nfs/dbraw/zinc/64/85/76/371648576.db2.gz SAKIRPGKBFEANV-RKDXNWHRSA-N 1 0 165.240 1.054 50 0 in-vitro ADAARO CCO[C@@H]1C[NH2+]Cc2ccccc21 75567951 371649124 /nfs/dbraw/zinc/64/91/24/371649124.db2.gz BNDGOYZBUUBHRU-LLVKDONJSA-N 1 0 177.247 1.867 50 0 ADAARO CCO[C@H]1C[NH2+]Cc2ccccc21 75567953 371649240 /nfs/dbraw/zinc/64/92/40/371649240.db2.gz BNDGOYZBUUBHRU-NSHDSACASA-N 1 0 177.247 1.867 50 0 ADAARO OCc1ccc([C@@H]2CCC[NH2+]2)o1 86005609 371651256 /nfs/dbraw/zinc/65/12/56/371651256.db2.gz YJONIQDOFBNMRI-QMMMGPOBSA-N 1 0 167.208 1.196 50 0 ADAARO C[C@@H]1C[N@H+](C)CCC1(F)F 85650639 371651462 /nfs/dbraw/zinc/65/14/62/371651462.db2.gz TXGUJJOFIVGZFB-ZCFIWIBFSA-N 1 0 149.184 1.593 50 0 ADAARO O=Cc1ccc2c(c1)CC[NH2+]C2 91305300 371655451 /nfs/dbraw/zinc/65/54/51/371655451.db2.gz HBOKIZMBDPGEPF-UHFFFAOYSA-N 1 0 161.204 1.145 50 0 ADAARO OC[C@@H]1C[NH2+]C[C@@H]1c1ccccc1F 98089104 371657169 /nfs/dbraw/zinc/65/71/69/371657169.db2.gz IXXLXWFGKFQIDH-WPRPVWTQSA-N 1 0 195.237 1.121 50 0 ADAARO OC[C@H]1C[NH2+]C[C@H]1c1ccccc1F 98089103 371657392 /nfs/dbraw/zinc/65/73/92/371657392.db2.gz IXXLXWFGKFQIDH-PSASIEDQSA-N 1 0 195.237 1.121 50 0 ADAARO C[N@@H+]1CCC(=O)[C@H]2CCCC[C@H]21 100870915 371660945 /nfs/dbraw/zinc/66/09/45/371660945.db2.gz RITANGGXLSWSNG-DTWKUNHWSA-N 1 0 167.252 1.450 50 0 ADAARO C[C@@H]1C[NH2+][C@H](C)[C@@H](C)C1 146977733 371665573 /nfs/dbraw/zinc/66/55/73/371665573.db2.gz QWCDTIOGQKLNHC-BIIVOSGPSA-N 1 0 127.231 1.640 50 0 in-vitro ADAARO CC(C)(C)C(=O)C(C)(C)[NH3+] 147278121 371665583 /nfs/dbraw/zinc/66/55/83/371665583.db2.gz PZFXWDCLAAQELN-UHFFFAOYSA-N 1 0 143.230 1.339 50 0 ADAARO CC(C)([NH3+])CC1CCC1 211646845 371708180 /nfs/dbraw/zinc/70/81/80/371708180.db2.gz UFAKAHPPPOTGTN-UHFFFAOYSA-N 1 0 127.231 1.914 50 0 ADAARO O[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 219618844 371715150 /nfs/dbraw/zinc/71/51/50/371715150.db2.gz LFAHAZYKDALXSI-VXGBXAGGSA-N 1 0 195.306 1.799 50 0 ADAARO [NH3+][C@@H]1c2ccccc2CC[C@@H]1F 238661491 371730776 /nfs/dbraw/zinc/73/07/76/371730776.db2.gz BNAFJGMKSYBXFL-VHSXEESVSA-N 1 0 165.211 1.971 50 0 ADAARO CC(C)[C@H]([NH3+])[C@H](CO)C(C)C 238856350 371731279 /nfs/dbraw/zinc/73/12/79/371731279.db2.gz VSHCEUIAWHCTNY-BDAKNGLRSA-N 1 0 159.273 1.234 50 0 ADAARO CC(C)[C@H](CO)[C@H]([NH3+])C(C)C 238856351 371731344 /nfs/dbraw/zinc/73/13/44/371731344.db2.gz VSHCEUIAWHCTNY-DTWKUNHWSA-N 1 0 159.273 1.234 50 0 ADAARO CC(C)[C@H]([NH3+])C1(CO)CCC1 238855830 371731397 /nfs/dbraw/zinc/73/13/97/371731397.db2.gz SWHGGGURSFRRNJ-QMMMGPOBSA-N 1 0 157.257 1.132 50 0 in-vitro ADAARO CC(C)[C@H]([NH3+])[C@@H](CO)C(C)C 238856352 371731412 /nfs/dbraw/zinc/73/14/12/371731412.db2.gz VSHCEUIAWHCTNY-IUCAKERBSA-N 1 0 159.273 1.234 50 0 ADAARO CC(C)[C@H]1[NH2+]CC12CCC2 238855806 371731641 /nfs/dbraw/zinc/73/16/41/371731641.db2.gz STZVATGIVFTOOK-MRVPVSSYSA-N 1 0 139.242 1.785 50 0 in-vitro ADAARO CC(C)[C@@H]([NH3+])[C@H](CO)C(C)C 238856353 371731776 /nfs/dbraw/zinc/73/17/76/371731776.db2.gz VSHCEUIAWHCTNY-RKDXNWHRSA-N 1 0 159.273 1.234 50 0 ADAARO CC(C)Cn1nccc1[C@H]1C[C@H]1[NH3+] 242750570 371732673 /nfs/dbraw/zinc/73/26/73/371732673.db2.gz ZTSPCCAEFYEOOI-DTWKUNHWSA-N 1 0 179.267 1.354 50 0 ADAARO CC(C)Cn1nccc1[C@H]1C[C@@H]1[NH3+] 242750571 371732745 /nfs/dbraw/zinc/73/27/45/371732745.db2.gz ZTSPCCAEFYEOOI-IUCAKERBSA-N 1 0 179.267 1.354 50 0 ADAARO CC(C)Cn1nccc1[C@@H]1C[C@@H]1[NH3+] 242750569 371732762 /nfs/dbraw/zinc/73/27/62/371732762.db2.gz ZTSPCCAEFYEOOI-BDAKNGLRSA-N 1 0 179.267 1.354 50 0 ADAARO CC(C)Cn1nccc1[C@@H]1C[C@H]1[NH3+] 242750572 371732796 /nfs/dbraw/zinc/73/27/96/371732796.db2.gz ZTSPCCAEFYEOOI-RKDXNWHRSA-N 1 0 179.267 1.354 50 0 ADAARO C[C@@]1(CC[NH3+])C[C@]1(F)Cl 328579747 371795771 /nfs/dbraw/zinc/79/57/71/371795771.db2.gz ZIIVOBURUZZDOC-PHDIDXHHSA-N 1 0 151.612 1.650 50 0 ADAARO C[C@@]1(CC[NH3+])C[C@@]1(F)Cl 328579748 371796681 /nfs/dbraw/zinc/79/66/81/371796681.db2.gz ZIIVOBURUZZDOC-RITPCOANSA-N 1 0 151.612 1.650 50 0 ADAARO COc1ccc([C@H]2C[C@@H]([NH3+])C2)cc1 498036789 371816696 /nfs/dbraw/zinc/81/66/96/371816696.db2.gz YMOHUPTWZGRJBX-AOOOYVTPSA-N 1 0 177.247 1.900 50 0 ADAARO OCCCCC[NH+]1CCCCC1 2506664 375286743 /nfs/dbraw/zinc/28/67/43/375286743.db2.gz GEPOCRCIIKQXSM-UHFFFAOYSA-N 1 0 171.284 1.635 50 0 in-vitro ADAARO CC(C)CNC1=[NH+]CCS1 3885616 375287605 /nfs/dbraw/zinc/28/76/05/375287605.db2.gz KJGHZGVLJOTEJJ-UHFFFAOYSA-N 1 0 158.270 1.335 50 0 in-vitro ADAARO Cc1cc(C)n(C2CC[NH2+]CC2)n1 20445488 375290902 /nfs/dbraw/zinc/29/09/02/375290902.db2.gz FQZTWNZHVZBCNG-UHFFFAOYSA-N 1 0 179.267 1.424 50 0 ADAARO CC(C)c1nccc(C[NH3+])n1 20445508 375291815 /nfs/dbraw/zinc/29/18/15/375291815.db2.gz LLGMSGDBTHZSLB-UHFFFAOYSA-N 1 0 151.213 1.059 50 0 ADAARO c1ccc([C@@H]2[NH2+]C[C@@H]3CCCN32)cc1 36108801 375295844 /nfs/dbraw/zinc/29/58/44/375295844.db2.gz RMTUSVSNYBYUDY-NWDGAFQWSA-N 1 0 188.274 1.753 50 0 ADAARO c1ccc([C@H]2[NH2+]C[C@H]3CCCN23)cc1 36108800 375296065 /nfs/dbraw/zinc/29/60/65/375296065.db2.gz RMTUSVSNYBYUDY-NEPJUHHUSA-N 1 0 188.274 1.753 50 0 ADAARO c1ccc([C@H]2[NH2+]C[C@@H]3CCCN32)cc1 36108802 375296082 /nfs/dbraw/zinc/29/60/82/375296082.db2.gz RMTUSVSNYBYUDY-RYUDHWBXSA-N 1 0 188.274 1.753 50 0 ADAARO c1ccc([C@@H]2[NH2+]C[C@H]3CCCN32)cc1 36108799 375296124 /nfs/dbraw/zinc/29/61/24/375296124.db2.gz RMTUSVSNYBYUDY-VXGBXAGGSA-N 1 0 188.274 1.753 50 0 ADAARO CCC(CC)C(N)=[NH2+] 51690321 375301773 /nfs/dbraw/zinc/30/17/73/375301773.db2.gz YDWAWYVKEHKQBK-UHFFFAOYSA-N 1 0 114.192 1.359 50 0 ADAARO CC(C)(C)[C@H]1CSCC[NH2+]1 70587991 375334428 /nfs/dbraw/zinc/33/44/28/375334428.db2.gz APKFOODJUNXXGQ-SSDOTTSWSA-N 1 0 159.298 1.738 50 0 in-vitro ADAARO CCOC(=O)CCCCC[NH2+]C 70596987 375334817 /nfs/dbraw/zinc/33/48/17/375334817.db2.gz ASRGBYKUXOPYAJ-UHFFFAOYSA-N 1 0 173.256 1.329 50 0 ADAARO CC(C)(C)[C@@H]1CSCC[NH2+]1 70587990 375334860 /nfs/dbraw/zinc/33/48/60/375334860.db2.gz APKFOODJUNXXGQ-ZETCQYMHSA-N 1 0 159.298 1.738 50 0 in-vitro ADAARO c1cc(C[NH+]2CCSCC2)ccn1 71928322 375344320 /nfs/dbraw/zinc/34/43/20/375344320.db2.gz MWBSEGPRCSSWBR-UHFFFAOYSA-N 1 0 194.303 1.630 50 0 ADAARO OCC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 83890151 375384500 /nfs/dbraw/zinc/38/45/00/375384500.db2.gz FFOIUAXLLWVOGV-SSDOTTSWSA-N 1 0 197.200 1.253 50 0 ADAARO OCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 83890150 375384624 /nfs/dbraw/zinc/38/46/24/375384624.db2.gz FFOIUAXLLWVOGV-ZETCQYMHSA-N 1 0 197.200 1.253 50 0 ADAARO C[C@H]([NH3+])C1CCC(F)CC1 107265916 375391438 /nfs/dbraw/zinc/39/14/38/375391438.db2.gz CEWZEWZRNGXNEA-KKMMWDRVSA-N 1 0 145.221 1.862 50 0 ADAARO CC(C)(C[NH3+])C(F)F 211616562 375415484 /nfs/dbraw/zinc/41/54/84/375415484.db2.gz KFTRZSWLGIQXDK-UHFFFAOYSA-N 1 0 123.146 1.236 50 0 ADAARO [NH3+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 211627447 375415496 /nfs/dbraw/zinc/41/54/96/375415496.db2.gz BQSDLOIDYJNUGB-PRJMDXOYSA-N 1 0 125.215 1.381 50 0 ADAARO [NH3+]C[C@@H]1CC[C@H]2C[C@H]2C1 211627663 375415647 /nfs/dbraw/zinc/41/56/47/375415647.db2.gz BQSDLOIDYJNUGB-GJMOJQLCSA-N 1 0 125.215 1.381 50 0 ADAARO C[N@@H+]1CC[C@](C)(O)[C@@H]2CCCC[C@H]21 215985180 375416754 /nfs/dbraw/zinc/41/67/54/375416754.db2.gz OFUROGGOSSXCBF-MXWKQRLJSA-N 1 0 183.295 1.632 50 0 ADAARO OC1CCC2(CC[NH2+]CC2)CC1 219424192 375420758 /nfs/dbraw/zinc/42/07/58/375420758.db2.gz DCUNNHBUNDXOHB-UHFFFAOYSA-N 1 0 169.268 1.291 50 0 in-vitro ADAARO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 227555292 375423307 /nfs/dbraw/zinc/42/33/07/375423307.db2.gz AILPVFCDNZXYFP-LPEHRKFASA-N 1 0 169.268 1.290 50 0 ADAARO FC(F)(F)[C@H]1[C@H]2C[NH2+]CC[C@H]21 238557501 375429410 /nfs/dbraw/zinc/42/94/10/375429410.db2.gz NDMYUCOTFFEXFA-NGJCXOISSA-N 1 0 165.158 1.404 50 0 ADAARO CO[C@@H]1C[C@H]([NH3+])c2ccccc21 407985992 375537954 /nfs/dbraw/zinc/53/79/54/375537954.db2.gz WSKSGBLLRQUWCD-VHSXEESVSA-N 1 0 163.220 1.778 50 0 ADAARO c1coc([C@@H]2[NH2+]CC23CCOCC3)c1 407985645 375538024 /nfs/dbraw/zinc/53/80/24/375538024.db2.gz CZEYNSLLOVVOOX-JTQLQIEISA-N 1 0 193.246 1.721 50 0 ADAARO CO[C@H]1C[C@@H]([NH3+])c2ccccc21 407985995 375537737 /nfs/dbraw/zinc/53/77/37/375537737.db2.gz WSKSGBLLRQUWCD-ZJUUUORDSA-N 1 0 163.220 1.778 50 0 ADAARO c1coc([C@H]2[NH2+]CC23CCOCC3)c1 407985647 375537782 /nfs/dbraw/zinc/53/77/82/375537782.db2.gz CZEYNSLLOVVOOX-SNVBAGLBSA-N 1 0 193.246 1.721 50 0 ADAARO C[C@@]1(CC[NH3+])CC1(F)F 407986196 375537815 /nfs/dbraw/zinc/53/78/15/375537815.db2.gz LYLDDXFVDPRYPH-RXMQYKEDSA-N 1 0 135.157 1.381 50 0 ADAARO CO[C@H]1C[C@H]([NH3+])c2ccccc21 407985989 375538041 /nfs/dbraw/zinc/53/80/41/375538041.db2.gz WSKSGBLLRQUWCD-UWVGGRQHSA-N 1 0 163.220 1.778 50 0 ADAARO C[C@]1(CC[NH3+])CC1(F)F 407986199 375538151 /nfs/dbraw/zinc/53/81/51/375538151.db2.gz LYLDDXFVDPRYPH-YFKPBYRVSA-N 1 0 135.157 1.381 50 0 ADAARO [NH3+][C@@H]1[C@H]2Cc3c(Cl)cccc3[C@H]21 521398820 375538747 /nfs/dbraw/zinc/53/87/47/375538747.db2.gz GAZUXWZBUWKWSE-FXBDTBDDSA-N 1 0 179.650 1.937 50 0 in-vitro ADAARO CC(C)(C)OC(=O)C[C@@H](C[NH3+])C1CC1 521398921 375538760 /nfs/dbraw/zinc/53/87/60/375538760.db2.gz PQTPMJKFHSNZFZ-VIFPVBQESA-N 1 0 199.294 1.703 50 0 ADAARO C[C@@H]1C[NH2+]C[C@](C)(C(F)F)O1 521399157 375538864 /nfs/dbraw/zinc/53/88/64/375538864.db2.gz FMBDLFMQDZFLHC-IYSWYEEDSA-N 1 0 165.183 1.019 50 0 ADAARO C[C@H]1C[NH2+]C[C@](C)(C(F)F)O1 521399155 375538945 /nfs/dbraw/zinc/53/89/45/375538945.db2.gz FMBDLFMQDZFLHC-CAHLUQPWSA-N 1 0 165.183 1.019 50 0 ADAARO [NH3+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@H]21 521398780 375539023 /nfs/dbraw/zinc/53/90/23/375539023.db2.gz NFKBEAYOJHULMN-IVZWLZJFSA-N 1 0 179.650 1.937 50 0 ADAARO [NH3+][C@@H]1[C@@H]2Cc3c(Cl)cccc3[C@H]12 521398819 375539060 /nfs/dbraw/zinc/53/90/60/375539060.db2.gz GAZUXWZBUWKWSE-FKTZTGRPSA-N 1 0 179.650 1.937 50 0 in-vitro ADAARO C[C@@H]1C[NH2+]C[C@H](CC(F)(F)F)O1 521398704 375539408 /nfs/dbraw/zinc/53/94/08/375539408.db2.gz LKNGDDDLOGXMQE-RITPCOANSA-N 1 0 183.173 1.316 50 0 ADAARO C[C@H]1C[NH2+]C[C@@](C)(C(F)F)O1 521399156 375539427 /nfs/dbraw/zinc/53/94/27/375539427.db2.gz FMBDLFMQDZFLHC-FSPLSTOPSA-N 1 0 165.183 1.019 50 0 ADAARO CCC([NH3+])(C1CC1)C1CC1 521399240 375539446 /nfs/dbraw/zinc/53/94/46/375539446.db2.gz AVBNDGCJOKGDFI-UHFFFAOYSA-N 1 0 139.242 1.914 50 0 ADAARO CC(C)(C)OC(=O)[C@@H](C[NH3+])C1CCC1 521398956 375539510 /nfs/dbraw/zinc/53/95/10/375539510.db2.gz IBSKPQSPTSJCFL-VIFPVBQESA-N 1 0 199.294 1.703 50 0 ADAARO CC(C)(C)OC(=O)[C@H](C[NH3+])C1CCC1 521398955 375539531 /nfs/dbraw/zinc/53/95/31/375539531.db2.gz IBSKPQSPTSJCFL-SECBINFHSA-N 1 0 199.294 1.703 50 0 ADAARO C[C@@H]1C[NH2+]C[C@@](C)(C(F)F)O1 521399158 375539538 /nfs/dbraw/zinc/53/95/38/375539538.db2.gz FMBDLFMQDZFLHC-VDTYLAMSSA-N 1 0 165.183 1.019 50 0 ADAARO C1CC[C@]23C[NH2+]C[C@@]2(C1)COC3 521399432 375540616 /nfs/dbraw/zinc/54/06/16/375540616.db2.gz NZKRFMXTCLEYGE-AOOOYVTPSA-N 1 0 167.252 1.167 50 0 ADAARO [NH3+]Cc1cccc(OC(F)F)n1 521399848 375541459 /nfs/dbraw/zinc/54/14/59/375541459.db2.gz SXHYTHGSAWHLLS-UHFFFAOYSA-N 1 0 174.150 1.142 50 0 in-vitro ADAARO O[C@H](c1ccccc1)C12CC(C[NH2+]1)C2 521399774 375541558 /nfs/dbraw/zinc/54/15/58/375541558.db2.gz LSSYNTLYVWMBAY-CKBZRRDASA-N 1 0 189.258 1.472 50 0 ADAARO c1ccc(C[NH2+]C2COC2)cc1 16083055 409314377 /nfs/dbraw/zinc/31/43/77/409314377.db2.gz DSGHRPVYBGSMIO-UHFFFAOYSA-N 1 0 163.220 1.175 50 0 in-vitro ADAARO CCC[N@@H+](CC(=O)NCC)CC1CC1 48374191 409368439 /nfs/dbraw/zinc/36/84/39/409368439.db2.gz CXWCANAYHLRVAP-UHFFFAOYSA-N 1 0 198.310 1.245 50 0 ADAARO CCOc1cccc(CNC(N)=[NH2+])c1 48069737 409368768 /nfs/dbraw/zinc/36/87/68/409368768.db2.gz ZBQVCNCMVXPALH-UHFFFAOYSA-N 1 0 193.250 1.068 50 0 ADAARO CC(C)C[N@H+](C)CC(C)(C)CO 51292912 409381865 /nfs/dbraw/zinc/38/18/65/409381865.db2.gz DXNNEOCXYCTUQF-UHFFFAOYSA-N 1 0 173.300 1.593 50 0 ADAARO CC(C)[C@@H](C)C(=O)N1CCC[C@H]([NH3+])C1 69688797 409411409 /nfs/dbraw/zinc/41/14/09/409411409.db2.gz IYRZNUYJSHNKBA-ZJUUUORDSA-N 1 0 198.310 1.228 50 0 ADAARO c1csc(CO[C@@H]2CC[NH2+]C2)n1 87391701 409440142 /nfs/dbraw/zinc/44/01/42/409440142.db2.gz BNHTVWFUKJBIGY-SSDOTTSWSA-N 1 0 184.264 1.022 50 0 in-vitro ADAARO c1csc(CO[C@H]2CC[NH2+]C2)n1 87391703 409440183 /nfs/dbraw/zinc/44/01/83/409440183.db2.gz BNHTVWFUKJBIGY-ZETCQYMHSA-N 1 0 184.264 1.022 50 0 in-vitro ADAARO CC1=C(C)[C@@H]([NH3+])CCC1 104593495 409454543 /nfs/dbraw/zinc/45/45/43/409454543.db2.gz RZTQSJOBCGCLHV-QMMMGPOBSA-N 1 0 125.215 1.834 50 0 ADAARO CC1=C(C)[C@H]([NH3+])CCC1 104593492 409454759 /nfs/dbraw/zinc/45/47/59/409454759.db2.gz RZTQSJOBCGCLHV-MRVPVSSYSA-N 1 0 125.215 1.834 50 0 ADAARO [NH3+]C1(c2noc(C3CCC3)n2)CCC1 306402540 409566044 /nfs/dbraw/zinc/56/60/44/409566044.db2.gz QIBOGTDLZHVOTH-UHFFFAOYSA-N 1 0 193.250 1.675 50 0 ADAARO C[C@@H]1C[NH2+]C[C@@H](CC(F)(F)F)O1 521398703 410047326 /nfs/dbraw/zinc/04/73/26/410047326.db2.gz LKNGDDDLOGXMQE-PHDIDXHHSA-N 1 0 183.173 1.316 50 0 ADAARO C[C@H]1C[NH2+]C[C@@H](CC(F)(F)F)O1 521398702 410047587 /nfs/dbraw/zinc/04/75/87/410047587.db2.gz LKNGDDDLOGXMQE-NTSWFWBYSA-N 1 0 183.173 1.316 50 0 ADAARO O[C@@H]1CCC=CCC[C@@H]1[NH+]1CCCC1 536953351 410049555 /nfs/dbraw/zinc/04/95/55/410049555.db2.gz GSFMIBVRJQLIMQ-NWDGAFQWSA-N 1 0 195.306 1.942 50 0 ADAARO O[C@H]1CCC=CCC[C@H]1[NH+]1CCCC1 536953344 410049596 /nfs/dbraw/zinc/04/95/96/410049596.db2.gz GSFMIBVRJQLIMQ-NEPJUHHUSA-N 1 0 195.306 1.942 50 0 ADAARO C1=CCC2(CCCC2)[NH2+]C1 104699246 573199350 /nfs/dbraw/zinc/19/93/50/573199350.db2.gz NERNAXVWZHSVOE-UHFFFAOYSA-N 1 0 137.226 1.849 50 0 ADAARO CCOC(=O)[C@@]1(C)CCCC[C@H]1[NH3+] 123845717 573213043 /nfs/dbraw/zinc/21/30/43/573213043.db2.gz FFMOIXALYYOURC-SCZZXKLOSA-N 1 0 185.267 1.457 50 0 ADAARO [NH3+][C@@H](C1CC1)C1(O)CCCC1 115995975 573239777 /nfs/dbraw/zinc/23/97/77/573239777.db2.gz OPIYMATZFAECHB-QMMMGPOBSA-N 1 0 155.241 1.029 50 0 ADAARO C[C@H]([NH3+])C(C)(C)F 77904361 573295807 /nfs/dbraw/zinc/29/58/07/573295807.db2.gz OXVLZOYJHJXSBM-BYPYZUCNSA-N 1 0 105.156 1.082 50 0 ADAARO CO[C@H]1CC[NH2+]C(C)(C)C1 259083016 573313319 /nfs/dbraw/zinc/31/33/19/573313319.db2.gz PMZJAEOJSGRCHA-ZETCQYMHSA-N 1 0 143.230 1.163 50 0 ADAARO CO[C@@H]1CC[NH2+][C@@H]1C(C)C 258629565 573327062 /nfs/dbraw/zinc/32/70/62/573327062.db2.gz XNYOVBOMODJQTG-HTQZYQBOSA-N 1 0 143.230 1.019 50 0 ADAARO [NH3+]C1(C(=O)C2CC2)CCCC1 74343084 573328522 /nfs/dbraw/zinc/32/85/22/573328522.db2.gz OLQNQZHUBAYMBG-UHFFFAOYSA-N 1 0 153.225 1.237 50 0 ADAARO COC(=O)[C@H]1CC2(CCCC2)C[NH2+]1 238359745 573334249 /nfs/dbraw/zinc/33/42/49/573334249.db2.gz YFROPDUDQLOOCA-MRVPVSSYSA-N 1 0 183.251 1.082 50 0 ADAARO c1ccc(CCC2C[NH2+]C2)cc1 107120056 573357328 /nfs/dbraw/zinc/35/73/28/573357328.db2.gz IEAMFWMAFRLPOO-UHFFFAOYSA-N 1 0 161.248 1.839 50 0 ADAARO [NH3+]CC[C@H]1CC12CCOCC2 107158438 573384415 /nfs/dbraw/zinc/38/44/15/573384415.db2.gz OQUKJTQCQREDBK-QMMMGPOBSA-N 1 0 155.241 1.152 50 0 ADAARO CO[C@@H](C[NH3+])c1ccc(O)cc1 107161457 573389065 /nfs/dbraw/zinc/38/90/65/573389065.db2.gz LHIRVXQWCTXYEK-VIFPVBQESA-N 1 0 167.208 1.038 50 0 ADAARO NC(=[NH2+])C1CCC(F)(F)CC1 107265910 573457489 /nfs/dbraw/zinc/45/74/89/573457489.db2.gz LXDHYJRASRJPSY-UHFFFAOYSA-N 1 0 162.183 1.748 50 0 ADAARO COc1cc(C2CC[NH2+]CC2)ccn1 75086699 573479232 /nfs/dbraw/zinc/47/92/32/573479232.db2.gz KXVOFNLUAQZKIF-UHFFFAOYSA-N 1 0 192.262 1.557 50 0 ADAARO CC1([C@@H]2CCC[NH2+]2)CC1 107395622 573554812 /nfs/dbraw/zinc/55/48/12/573554812.db2.gz LOXHSTAEPOFCAO-ZETCQYMHSA-N 1 0 125.215 1.539 50 0 ADAARO [NH3+]C[C@H]1CCCC12CCC2 107396450 573560240 /nfs/dbraw/zinc/56/02/40/573560240.db2.gz OEYOQSATQZKCFL-MRVPVSSYSA-N 1 0 139.242 1.916 50 0 ADAARO [NH3+][C@@H]1CCCCC12CCOCC2 107404973 573577120 /nfs/dbraw/zinc/57/71/20/573577120.db2.gz XXNPTEZMJDCZDD-SECBINFHSA-N 1 0 169.268 1.685 50 0 ADAARO CC(C)(O)[C@@H]([NH3+])C1CCCC1 75543204 573602340 /nfs/dbraw/zinc/60/23/40/573602340.db2.gz IUDFEBUZOVTHOM-QMMMGPOBSA-N 1 0 157.257 1.275 50 0 ADAARO [NH3+][C@@H]1CS[C@H](C(F)(F)F)C1 82400656 573611737 /nfs/dbraw/zinc/61/17/37/573611737.db2.gz FMBZHJGKEYGRSP-IMJSIDKUSA-N 1 0 171.187 1.382 50 0 ADAARO COc1cccc(C)c1C[NH3+] 107493833 573632563 /nfs/dbraw/zinc/63/25/63/573632563.db2.gz BHFDOJTUMKKPAN-UHFFFAOYSA-N 1 0 151.209 1.462 50 0 ADAARO CC1(C)SCC[C@@H]1C[NH3+] 82409034 573632589 /nfs/dbraw/zinc/63/25/89/573632589.db2.gz YPTMOASDMGGYSM-ZCFIWIBFSA-N 1 0 145.271 1.477 50 0 ADAARO C[NH2+][C@H]1CCC(F)(F)C1 108280659 573715195 /nfs/dbraw/zinc/71/51/95/573715195.db2.gz CODQFIKXMORBLY-YFKPBYRVSA-N 1 0 135.157 1.394 50 0 ADAARO C[NH2+][C@@H]1CCC(F)(F)C1 108280655 573715492 /nfs/dbraw/zinc/71/54/92/573715492.db2.gz CODQFIKXMORBLY-RXMQYKEDSA-N 1 0 135.157 1.394 50 0 ADAARO COc1ccc2c(c1)C(CC[NH3+])=CC2 108300349 573745973 /nfs/dbraw/zinc/74/59/73/573745973.db2.gz MOYBTOYTRHPHMD-UHFFFAOYSA-N 1 0 189.258 1.984 50 0 ADAARO [NH3+]C1([C@@H]2CCCO2)CCC1 257871509 573767979 /nfs/dbraw/zinc/76/79/79/573767979.db2.gz AHWDERNMTHUBSY-ZETCQYMHSA-N 1 0 141.214 1.047 50 0 ADAARO CC(C)(C)C[C@H]1CC[NH2+]1 84178977 573784433 /nfs/dbraw/zinc/78/44/33/573784433.db2.gz VEEXSRTUECBKRA-SSDOTTSWSA-N 1 0 127.231 1.785 50 0 ADAARO [NH3+][C@]1(c2ccccc2)CCOC1 84264846 573807159 /nfs/dbraw/zinc/80/71/59/573807159.db2.gz VTUZZEWIKSPZNZ-SNVBAGLBSA-N 1 0 163.220 1.261 50 0 ADAARO [NH3+]C1(CCC(F)(F)F)CC1 84328509 573831264 /nfs/dbraw/zinc/83/12/64/573831264.db2.gz PZCODLUKHJGRAB-UHFFFAOYSA-N 1 0 153.147 1.820 50 0 ADAARO COC[C@H](CC[NH3+])C(C)C 84327947 573831356 /nfs/dbraw/zinc/83/13/56/573831356.db2.gz NWIYYPGOAYSYHK-QMMMGPOBSA-N 1 0 145.246 1.254 50 0 ADAARO COC[C@@H](CC[NH3+])C(C)C 84327948 573831889 /nfs/dbraw/zinc/83/18/89/573831889.db2.gz NWIYYPGOAYSYHK-MRVPVSSYSA-N 1 0 145.246 1.254 50 0 ADAARO [NH3+]C1(CC2CCOCC2)CC1 84328884 573832003 /nfs/dbraw/zinc/83/20/03/573832003.db2.gz FGZFNQLYYXQMSU-UHFFFAOYSA-N 1 0 155.241 1.294 50 0 ADAARO CO[C@@H]1CC[NH2+][C@H](C2CC2)C1 258440666 573866288 /nfs/dbraw/zinc/86/62/88/573866288.db2.gz DYFYFHFRVZJVAJ-BDAKNGLRSA-N 1 0 155.241 1.163 50 0 ADAARO [NH3+][C@H](CO)[C@H]1CCc2ccccc21 238560763 573884594 /nfs/dbraw/zinc/88/45/94/573884594.db2.gz NBXAZRHGAXLFPC-WDEREUQCSA-N 1 0 177.247 1.036 50 0 ADAARO COC(=O)[C@@H]1CCC[C@@H]([NH3+])CC1 215471276 573914834 /nfs/dbraw/zinc/91/48/34/573914834.db2.gz NBWDADGCWZGJAF-HTQZYQBOSA-N 1 0 171.240 1.067 50 0 ADAARO COC(=O)[C@@](C)([NH3+])C1CCCC1 215467321 573914841 /nfs/dbraw/zinc/91/48/41/573914841.db2.gz XMAQSPHKQMOPHS-VIFPVBQESA-N 1 0 171.240 1.067 50 0 ADAARO C[Si](C)(C)C[N@@H+]1CCC[C@H]1CN 401701375 573984281 /nfs/dbraw/zinc/98/42/81/573984281.db2.gz ZRRYXCIPRFOJCJ-VIFPVBQESA-N 1 0 186.375 1.287 50 0 ADAARO [NH3+]CCCSC(F)F 85316235 574032976 /nfs/dbraw/zinc/03/29/76/574032976.db2.gz JIPXYUVOGCGAFJ-UHFFFAOYSA-N 1 0 141.186 1.291 50 0 ADAARO CC(C)(C)CNc1cc[nH+]c(N)n1 87820697 574044990 /nfs/dbraw/zinc/04/49/90/574044990.db2.gz UCCZKFHLOCFPRE-UHFFFAOYSA-N 1 0 180.255 1.517 50 0 ADAARO C[C@@H]1C[NH2+][C@H]2CCCC[C@H]12 68592257 518180309 /nfs/dbraw/zinc/18/03/09/518180309.db2.gz ZCJGZUQXRFHPQL-HLTSFMKQSA-N 1 0 139.242 1.785 50 0 in-vitro ADAARO C[C@H](C[NH3+])c1ccccn1 37245838 518182142 /nfs/dbraw/zinc/18/21/42/518182142.db2.gz OPXKHJBYRJBEBH-SSDOTTSWSA-N 1 0 136.198 1.144 50 0 in-vitro ADAARO C1=CCC2(C1)CCC[NH2+]2 40457258 518575816 /nfs/dbraw/zinc/57/58/16/518575816.db2.gz ABQGEZKCJAMUSS-UHFFFAOYSA-N 1 0 123.199 1.459 50 0 ADAARO C1CC2(C1)C[NH2+][C@@H]2C1CCOCC1 306182576 518577638 /nfs/dbraw/zinc/57/76/38/518577638.db2.gz WQPCDQSIEYKCNU-SNVBAGLBSA-N 1 0 181.279 1.555 50 0 ADAARO C1CC2(C1)C[NH2+][C@H]2C1CCOCC1 306182575 518577866 /nfs/dbraw/zinc/57/78/66/518577866.db2.gz WQPCDQSIEYKCNU-JTQLQIEISA-N 1 0 181.279 1.555 50 0 ADAARO C1CC[C@@H]([C@@H]2CCC[NH2+]C2)OC1 108288288 518579376 /nfs/dbraw/zinc/57/93/76/518579376.db2.gz QMCLQNFOPOTERW-ZJUUUORDSA-N 1 0 169.268 1.555 50 0 ADAARO C1CC2CCC1[C@@H]1C[NH2+]C[C@@H]21 107266640 518579390 /nfs/dbraw/zinc/57/93/90/518579390.db2.gz WRVOPOWJCLQYKA-QLEHZGMVSA-N 1 0 151.253 1.642 50 0 ADAARO C1CC[C@@H]([C@H]2CCC[NH2+]C2)OC1 108288294 518579927 /nfs/dbraw/zinc/57/99/27/518579927.db2.gz QMCLQNFOPOTERW-UWVGGRQHSA-N 1 0 169.268 1.555 50 0 ADAARO C1CCC([NH2+][C@@H]2CCOC2)C1 70962417 518580162 /nfs/dbraw/zinc/58/01/62/518580162.db2.gz KGEWZYDYQWTISO-SECBINFHSA-N 1 0 155.241 1.308 50 0 ADAARO C1CC2CCC1[C@H]1C[NH2+]C[C@H]21 107266636 518580225 /nfs/dbraw/zinc/58/02/25/518580225.db2.gz WRVOPOWJCLQYKA-YDYPAMBWSA-N 1 0 151.253 1.642 50 0 ADAARO C1CC[C@H]([C@H]2CCC[NH2+]C2)OC1 108288298 518580471 /nfs/dbraw/zinc/58/04/71/518580471.db2.gz QMCLQNFOPOTERW-VHSXEESVSA-N 1 0 169.268 1.555 50 0 ADAARO C1CC[C@H]([C@@H]2CCC[NH2+]C2)OC1 108288292 518580610 /nfs/dbraw/zinc/58/06/10/518580610.db2.gz QMCLQNFOPOTERW-NXEZZACHSA-N 1 0 169.268 1.555 50 0 ADAARO CC(C)(C)OC(=O)C[C@H]1CCCC[NH2+]1 139401904 518796752 /nfs/dbraw/zinc/79/67/52/518796752.db2.gz BDRXMXIQSCEXQG-SECBINFHSA-N 1 0 199.294 1.860 50 0 in-vitro ADAARO CC(C)(C)OC(=O)C[C@@H]1CCCC[NH2+]1 139401766 518798152 /nfs/dbraw/zinc/79/81/52/518798152.db2.gz BDRXMXIQSCEXQG-VIFPVBQESA-N 1 0 199.294 1.860 50 0 in-vitro ADAARO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH3+])C1 85008140 518851693 /nfs/dbraw/zinc/85/16/93/518851693.db2.gz BHLFOLJFTRXOCQ-SFYZADRCSA-N 1 0 185.267 1.456 50 0 ADAARO CC(C)(C)O[C@H]1C[C@H]([NH3+])C1 306709975 518888638 /nfs/dbraw/zinc/88/86/38/518888638.db2.gz VNXATMQWBUQNDJ-LJGSYFOKSA-N 1 0 143.230 1.291 50 0 ADAARO CC(C)(C[NH3+])C1=CCOCC1 258419858 519231329 /nfs/dbraw/zinc/23/13/29/519231329.db2.gz BUKWTMMHFLDRGS-UHFFFAOYSA-N 1 0 155.241 1.318 50 0 ADAARO CC(C)([NH3+])C1CCC1 80489629 519294218 /nfs/dbraw/zinc/29/42/18/519294218.db2.gz YQHFUZLKTLDQFW-UHFFFAOYSA-N 1 0 113.204 1.524 50 0 ADAARO CC(=O)N1CC[C@@H]([NH3+])c2ccccc21 70652607 519613935 /nfs/dbraw/zinc/61/39/35/519613935.db2.gz UBTOHKCMZLCVOK-SNVBAGLBSA-N 1 0 190.246 1.443 50 0 in-vitro ADAARO CC(=O)N1CC[C@H]([NH3+])c2ccccc21 70652606 519626470 /nfs/dbraw/zinc/62/64/70/519626470.db2.gz UBTOHKCMZLCVOK-JTQLQIEISA-N 1 0 190.246 1.443 50 0 in-vitro ADAARO CC(C)[NH+]1CCC([C@H](C)O)CC1 147945312 519673769 /nfs/dbraw/zinc/67/37/69/519673769.db2.gz QMMKTHIFPYBSEX-VIFPVBQESA-N 1 0 171.284 1.488 50 0 in-vitro ADAARO CC(C)Oc1cccnc1C(N)=[NH2+] 130839949 519784831 /nfs/dbraw/zinc/78/48/31/519784831.db2.gz QVSVQLRPDHXNOZ-UHFFFAOYSA-N 1 0 179.223 1.153 50 0 ADAARO CC(C)[C@@H](C[NH3+])C(=O)OC(C)(C)C 83593609 519794303 /nfs/dbraw/zinc/79/43/03/519794303.db2.gz IEICEUUZDCPEOZ-MRVPVSSYSA-N 1 0 187.283 1.559 50 0 ADAARO CC(C)[C@@H]1[NH2+]CC12CCOCC2 306630146 519806568 /nfs/dbraw/zinc/80/65/68/519806568.db2.gz KNHGUFFREWBIIR-VIFPVBQESA-N 1 0 169.268 1.411 50 0 ADAARO CC(C)[C@H](C)C(=O)N1CCC[C@H]([NH3+])C1 69688800 519810343 /nfs/dbraw/zinc/81/03/43/519810343.db2.gz IYRZNUYJSHNKBA-UWVGGRQHSA-N 1 0 198.310 1.228 50 0 ADAARO CC(C)[C@H](C[NH3+])C(=O)OC(C)(C)C 83593610 519815120 /nfs/dbraw/zinc/81/51/20/519815120.db2.gz IEICEUUZDCPEOZ-QMMMGPOBSA-N 1 0 187.283 1.559 50 0 ADAARO CC(C)[C@H]1[NH2+]CC12CCOCC2 306630137 519828327 /nfs/dbraw/zinc/82/83/27/519828327.db2.gz KNHGUFFREWBIIR-SECBINFHSA-N 1 0 169.268 1.411 50 0 ADAARO CC[NH2+]C1CC(C)(C)C1 87439807 519908891 /nfs/dbraw/zinc/90/88/91/519908891.db2.gz DBUUOHUURYVGEP-UHFFFAOYSA-N 1 0 127.231 1.785 50 0 ADAARO CC(C)n1cc([C@@H]2OCC[C@H]2[NH3+])cn1 232867653 519975140 /nfs/dbraw/zinc/97/51/40/519975140.db2.gz UEQYVPMKGQPTFU-ZJUUUORDSA-N 1 0 195.266 1.253 50 0 ADAARO CC1(C)CC2(CCC2)C[NH2+]1 238204713 520288934 /nfs/dbraw/zinc/28/89/34/520288934.db2.gz PNSFIVMXBMCRFM-UHFFFAOYSA-N 1 0 139.242 1.929 50 0 ADAARO CC1(C)CC[C@@H](C[NH3+])CO1 407947223 520388480 /nfs/dbraw/zinc/38/84/80/520388480.db2.gz GLCRXEBTARNMCK-ZETCQYMHSA-N 1 0 143.230 1.150 50 0 ADAARO CC1(C)CC[C@H](C[NH3+])CO1 407947222 520401322 /nfs/dbraw/zinc/40/13/22/520401322.db2.gz GLCRXEBTARNMCK-SSDOTTSWSA-N 1 0 143.230 1.150 50 0 ADAARO CC1(C2([NH3+])CC2)CC1 87553944 520686645 /nfs/dbraw/zinc/68/66/45/520686645.db2.gz MOPZTANIEGEZHX-UHFFFAOYSA-N 1 0 111.188 1.278 50 0 ADAARO C[n+]1cccc2c1C(=O)c1ccccc1-2 22018891 629732258 /nfs/dbraw/zinc/73/22/58/629732258.db2.gz ZCJNRTCJZVFRRH-UHFFFAOYSA-N 1 0 196.229 1.723 50 0 ADAARO CCCC[N@H+](C)[C@H]1CN2CCC1CC2 22027732 629733487 /nfs/dbraw/zinc/73/34/87/629733487.db2.gz YZTFLIRYRFFJMY-LBPRGKRZSA-N 1 0 196.338 1.813 50 0 ADAARO CCCC[N@H+](C)[C@@H]1CN2CCC1CC2 22027734 629738147 /nfs/dbraw/zinc/73/81/47/629738147.db2.gz YZTFLIRYRFFJMY-GFCCVEGCSA-N 1 0 196.338 1.813 50 0 ADAARO CCOC(=O)C[C@@H](C[NH3+])CC(C)C 83825188 520840307 /nfs/dbraw/zinc/84/03/07/520840307.db2.gz GQMSFCVXBKBIJO-VIFPVBQESA-N 1 0 187.283 1.561 50 0 ADAARO COc1cccc2c1CCC[C@@H]([NH3+])C2 167870595 629814486 /nfs/dbraw/zinc/81/44/86/629814486.db2.gz UZNFOJXEZUUEGH-SNVBAGLBSA-N 1 0 191.274 1.901 50 0 ADAARO CCOC(=O)C[C@H](C[NH3+])CC(C)C 83825184 520885623 /nfs/dbraw/zinc/88/56/23/520885623.db2.gz GQMSFCVXBKBIJO-SECBINFHSA-N 1 0 187.283 1.561 50 0 ADAARO CCOC(=O)C[C@H]([NH3+])[C@H](C)CC 51690072 629886908 /nfs/dbraw/zinc/88/69/08/629886908.db2.gz LUTAMXNSAWPXSC-SFYZADRCSA-N 1 0 173.256 1.313 50 0 ADAARO CCC(CC)[C@@H]([NH3+])CC(=O)OC 51690068 629887128 /nfs/dbraw/zinc/88/71/28/629887128.db2.gz YZDDPEMMJNLYGR-QMMMGPOBSA-N 1 0 173.256 1.313 50 0 ADAARO CCOC(=O)C[C@H]([NH3+])[C@@H](C)CC 51690073 629887157 /nfs/dbraw/zinc/88/71/57/629887157.db2.gz LUTAMXNSAWPXSC-YUMQZZPRSA-N 1 0 173.256 1.313 50 0 ADAARO CCC(CC)[C@H]([NH3+])CC(=O)OC 51690067 629887245 /nfs/dbraw/zinc/88/72/45/629887245.db2.gz YZDDPEMMJNLYGR-MRVPVSSYSA-N 1 0 173.256 1.313 50 0 ADAARO CCOC(=O)C[C@@H]([NH3+])C(CC)CC 51690074 629887274 /nfs/dbraw/zinc/88/72/74/629887274.db2.gz JTUVQIRBCJTBFO-SECBINFHSA-N 1 0 187.283 1.703 50 0 ADAARO CCOC(=O)C[C@@H]([NH3+])[C@H](C)CC 51690070 629887286 /nfs/dbraw/zinc/88/72/86/629887286.db2.gz LUTAMXNSAWPXSC-HTQZYQBOSA-N 1 0 173.256 1.313 50 0 ADAARO Cc1[nH+]c2c(c(N)c1C)CCC2 2462126 629924340 /nfs/dbraw/zinc/92/43/40/629924340.db2.gz XCACCLNWIIMXHQ-UHFFFAOYSA-N 1 0 162.236 1.769 50 0 ADAARO CN(C)c1cc(N)c2c([nH+]1)CCCC2 3684462 629961734 /nfs/dbraw/zinc/96/17/34/629961734.db2.gz ZHKCBRWAVACRFW-UHFFFAOYSA-N 1 0 191.278 1.609 50 0 ADAARO CCOC(=O)[C@@H]([NH3+])C1CCCCCC1 84329828 521068715 /nfs/dbraw/zinc/06/87/15/521068715.db2.gz GRJOHMIFRFCROR-JTQLQIEISA-N 1 0 199.294 1.847 50 0 ADAARO CCOC(=O)[C@H]([NH3+])C1CCCCCC1 84329826 521255715 /nfs/dbraw/zinc/25/57/15/521255715.db2.gz GRJOHMIFRFCROR-SNVBAGLBSA-N 1 0 199.294 1.847 50 0 ADAARO CCC1(CC)CC([NH3+])C1 83164703 521683899 /nfs/dbraw/zinc/68/38/99/521683899.db2.gz PVNNMRCNQWVMER-UHFFFAOYSA-N 1 0 127.231 1.914 50 0 ADAARO CC[NH+]1CCN(c2ccccn2)CC1 22034708 521700417 /nfs/dbraw/zinc/70/04/17/521700417.db2.gz DKGBMXZAGZYQMK-UHFFFAOYSA-N 1 0 191.278 1.224 50 0 ADAARO CC[N@@H+]1C[C@@H](C)C(=O)C[C@H]1C 249692827 521726673 /nfs/dbraw/zinc/72/66/73/521726673.db2.gz NIJTYYIKYWTEQR-HTQZYQBOSA-N 1 0 155.241 1.306 50 0 ADAARO CC[N@@H+]1C[C@H](C)C(=O)C[C@H]1C 249693028 521728690 /nfs/dbraw/zinc/72/86/90/521728690.db2.gz NIJTYYIKYWTEQR-JGVFFNPUSA-N 1 0 155.241 1.306 50 0 ADAARO C[NH2+]C1CC(OC(C)(C)C)C1 85523156 521948311 /nfs/dbraw/zinc/94/83/11/521948311.db2.gz NYFDOQCDIJYPMB-UHFFFAOYSA-N 1 0 157.257 1.552 50 0 ADAARO C[NH2+]C[C@@H](C)C(C)(C)C 84325285 522029577 /nfs/dbraw/zinc/02/95/77/522029577.db2.gz DQODAOLMFSZRFN-SSDOTTSWSA-N 1 0 129.247 1.888 50 0 ADAARO C[NH+](C)[C@@H]1CCCCC[C@H]1O 40457242 522033441 /nfs/dbraw/zinc/03/34/41/522033441.db2.gz AWVHQKPVPFXPDJ-RKDXNWHRSA-N 1 0 157.257 1.242 50 0 ADAARO C[NH2+]C[C@H](C)C(C)(C)C 84325283 522070854 /nfs/dbraw/zinc/07/08/54/522070854.db2.gz DQODAOLMFSZRFN-ZETCQYMHSA-N 1 0 129.247 1.888 50 0 ADAARO C[NH2+]Cc1cccc2c1N(C)CCC2 82888861 522132964 /nfs/dbraw/zinc/13/29/64/522132964.db2.gz WNLSYTKFTBOFPG-UHFFFAOYSA-N 1 0 190.290 1.788 50 0 ADAARO CC[C@H]([NH3+])[C@@H]1CCCCO1 168852206 522342061 /nfs/dbraw/zinc/34/20/61/522342061.db2.gz XCPXNJBVVDSZBA-YUMQZZPRSA-N 1 0 143.230 1.293 50 0 ADAARO CC[C@H]([NH3+])[C@H]1CCCCO1 168852406 522346239 /nfs/dbraw/zinc/34/62/39/522346239.db2.gz XCPXNJBVVDSZBA-JGVFFNPUSA-N 1 0 143.230 1.293 50 0 ADAARO C[NH2+][C@@H]1CCCN(c2ccccc2)C1 68592487 522388547 /nfs/dbraw/zinc/38/85/47/522388547.db2.gz FZPVWLVXLUKASG-LLVKDONJSA-N 1 0 190.290 1.875 50 0 in-vitro ADAARO C[NH2+][C@H]1CCCN(c2ccccc2)C1 68592489 522498593 /nfs/dbraw/zinc/49/85/93/522498593.db2.gz FZPVWLVXLUKASG-NSHDSACASA-N 1 0 190.290 1.875 50 0 in-vitro ADAARO COc1cc(F)cc(C[C@H](C)[NH3+])c1 84447904 522598159 /nfs/dbraw/zinc/59/81/59/522598159.db2.gz LPNKGLAGKVGAPY-ZETCQYMHSA-N 1 0 183.226 1.724 50 0 ADAARO COc1cc(F)cc(C[C@@H](C)[NH3+])c1 84447906 522598660 /nfs/dbraw/zinc/59/86/60/522598660.db2.gz LPNKGLAGKVGAPY-SSDOTTSWSA-N 1 0 183.226 1.724 50 0 ADAARO CO[C@@H](C[NH3+])CC(C)C 85100078 523507058 /nfs/dbraw/zinc/50/70/58/523507058.db2.gz JYUKUOAPGLIOTL-SSDOTTSWSA-N 1 0 131.219 1.006 50 0 ADAARO CC[C@]1(O)C[C@@H](C)[N@H+](C)C[C@H]1C 239433079 523627921 /nfs/dbraw/zinc/62/79/21/523627921.db2.gz XEOCATJPKSQIPI-BBBLOLIVSA-N 1 0 171.284 1.488 50 0 ADAARO CC[C@]1(O)C[C@H](C)[N@H+](C)C[C@H]1C 239433080 523628949 /nfs/dbraw/zinc/62/89/49/523628949.db2.gz XEOCATJPKSQIPI-UTLUCORTSA-N 1 0 171.284 1.488 50 0 ADAARO CC[S@](=O)[C@@H]1CCCC[C@H]1[NH3+] 238855304 523641706 /nfs/dbraw/zinc/64/17/06/523641706.db2.gz RMUUQKVHLRUUME-XLDPMVHQSA-N 1 0 175.297 1.025 50 0 in-vitro ADAARO CC[S@](=O)[C@H]1CCCC[C@H]1[NH3+] 238855303 523649582 /nfs/dbraw/zinc/64/95/82/523649582.db2.gz RMUUQKVHLRUUME-FYBVGQRMSA-N 1 0 175.297 1.025 50 0 in-vitro ADAARO COC(=O)[C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]21 107464541 523719986 /nfs/dbraw/zinc/71/99/86/523719986.db2.gz MUBUWGGNNPTNRI-OPRDCNLKSA-N 1 0 197.278 1.328 50 0 ADAARO COC(=O)[C@@H]1CC[NH2+][C@H]2CCCC[C@@H]21 107464537 523720379 /nfs/dbraw/zinc/72/03/79/523720379.db2.gz MUBUWGGNNPTNRI-BBBLOLIVSA-N 1 0 197.278 1.328 50 0 ADAARO CN1CCCc2cccc(C[NH3+])c21 82869221 523864770 /nfs/dbraw/zinc/86/47/70/523864770.db2.gz GCFSBFVNGHBIQX-UHFFFAOYSA-N 1 0 176.263 1.528 50 0 ADAARO Cc1ccc([C@H]([NH3+])CN(C)C)cc1 19821186 630021143 /nfs/dbraw/zinc/02/11/43/630021143.db2.gz SQKFDJYYIBKNGD-LLVKDONJSA-N 1 0 178.279 1.556 50 0 ADAARO c1cc([C@@H]2CCC[NH2+]C2)no1 82407666 630039414 /nfs/dbraw/zinc/03/94/14/630039414.db2.gz VSZULPXTKFSKGH-SSDOTTSWSA-N 1 0 152.197 1.142 50 0 ADAARO CSc1ccc(C[NH3+])o1 82631641 630046044 /nfs/dbraw/zinc/04/60/44/630046044.db2.gz ZHFAOELZHQSXGA-UHFFFAOYSA-N 1 0 143.211 1.460 50 0 ADAARO c1ccc([C@H]2CC[NH2+]CCO2)cc1 82869742 630048158 /nfs/dbraw/zinc/04/81/58/630048158.db2.gz YHTYFRNGCOTKOF-LLVKDONJSA-N 1 0 177.247 1.738 50 0 ADAARO [NH3+][C@@H](C1CCC1)C1(O)CCCC1 958528710 630063663 /nfs/dbraw/zinc/06/36/63/630063663.db2.gz ZSXHMOJYFCKADS-VIFPVBQESA-N 1 0 169.268 1.419 50 0 ADAARO CCC[C@@H]([NH3+])C1(O)CCSCC1 958528728 630063772 /nfs/dbraw/zinc/06/37/72/630063772.db2.gz SSUFVCAAPNZCMQ-MRVPVSSYSA-N 1 0 189.324 1.372 50 0 ADAARO [NH3+][C@H](C1CCC1)C1(O)CCCC1 958528709 630063805 /nfs/dbraw/zinc/06/38/05/630063805.db2.gz ZSXHMOJYFCKADS-SECBINFHSA-N 1 0 169.268 1.419 50 0 ADAARO CCC[C@@H]([NH3+])C1(O)CCC1 958528803 630064213 /nfs/dbraw/zinc/06/42/13/630064213.db2.gz VRYPDIYKJQSFRP-SSDOTTSWSA-N 1 0 143.230 1.029 50 0 ADAARO CCC[C@H]([NH3+])C1(O)CCC1 958528804 630064711 /nfs/dbraw/zinc/06/47/11/630064711.db2.gz VRYPDIYKJQSFRP-ZETCQYMHSA-N 1 0 143.230 1.029 50 0 ADAARO CCC[C@H]([NH3+])C1(O)CCSCC1 958528729 630065317 /nfs/dbraw/zinc/06/53/17/630065317.db2.gz SSUFVCAAPNZCMQ-QMMMGPOBSA-N 1 0 189.324 1.372 50 0 ADAARO CO[C@H](C[NH3+])CC(C)C 85100076 523933034 /nfs/dbraw/zinc/93/30/34/523933034.db2.gz JYUKUOAPGLIOTL-ZETCQYMHSA-N 1 0 131.219 1.006 50 0 ADAARO CN1CC[C@@H]([NH3+])c2ccccc21 70601306 523962580 /nfs/dbraw/zinc/96/25/80/523962580.db2.gz HMCPFKPMDMJMGK-SECBINFHSA-N 1 0 162.236 1.526 50 0 in-vitro ADAARO COC(=O)[C@H]1C[C@H]([NH3+])CCC1(C)C 306953157 630136892 /nfs/dbraw/zinc/13/68/92/630136892.db2.gz FOEUPILNBNWENQ-HTQZYQBOSA-N 1 0 185.267 1.313 50 0 ADAARO COC(=O)[C@@H]1C[C@@H]([NH3+])CCC1(C)C 306953166 630137985 /nfs/dbraw/zinc/13/79/85/630137985.db2.gz FOEUPILNBNWENQ-YUMQZZPRSA-N 1 0 185.267 1.313 50 0 ADAARO COC(=O)[C@@H]1C[C@H]([NH3+])CCC1(C)C 306953163 630138342 /nfs/dbraw/zinc/13/83/42/630138342.db2.gz FOEUPILNBNWENQ-SFYZADRCSA-N 1 0 185.267 1.313 50 0 ADAARO COC(=O)[C@H]1C[C@@H]([NH3+])CCC1(C)C 306953160 630138937 /nfs/dbraw/zinc/13/89/37/630138937.db2.gz FOEUPILNBNWENQ-JGVFFNPUSA-N 1 0 185.267 1.313 50 0 ADAARO CN1CC[C@H]([NH3+])c2ccccc21 70601305 523981913 /nfs/dbraw/zinc/98/19/13/523981913.db2.gz HMCPFKPMDMJMGK-VIFPVBQESA-N 1 0 162.236 1.526 50 0 in-vitro ADAARO CN1C[C@@H]([NH3+])Cc2ccccc21 70187206 524008814 /nfs/dbraw/zinc/00/88/14/524008814.db2.gz XQWDWSOMZYTPGD-VIFPVBQESA-N 1 0 162.236 1.006 50 0 ADAARO CN1C[C@H]([NH3+])Cc2ccccc21 70187205 524021736 /nfs/dbraw/zinc/02/17/36/524021736.db2.gz XQWDWSOMZYTPGD-SECBINFHSA-N 1 0 162.236 1.006 50 0 ADAARO [NH3+]Cc1cc(C(F)F)no1 950757342 630209758 /nfs/dbraw/zinc/20/97/58/630209758.db2.gz VNPOUDQWPHQVOQ-UHFFFAOYSA-N 1 0 148.112 1.071 50 0 ADAARO CN1C(=O)C[C@H](C[NH3+])c2ccccc21 67425317 524036035 /nfs/dbraw/zinc/03/60/35/524036035.db2.gz VTDKDLCOJRFGIB-MRVPVSSYSA-N 1 0 190.246 1.095 50 0 in-vitro ADAARO Cn1cnc2c1CC[C@@H]1[NH2+]CCC[C@@H]21 950757338 630210617 /nfs/dbraw/zinc/21/06/17/630210617.db2.gz VKIHBEYKTJGOKH-BDAKNGLRSA-N 1 0 191.278 1.202 50 0 ADAARO CC(F)(F)C1(C[NH3+])CCOCC1 950757397 630210939 /nfs/dbraw/zinc/21/09/39/630210939.db2.gz YUXXEBYBAATNQO-UHFFFAOYSA-N 1 0 179.210 1.397 50 0 ADAARO Cn1cnc2c1CC[C@H]1[NH2+]CCC[C@@H]21 950757341 630211096 /nfs/dbraw/zinc/21/10/96/630211096.db2.gz VKIHBEYKTJGOKH-RKDXNWHRSA-N 1 0 191.278 1.202 50 0 ADAARO Cn1cnc2c1CC[C@H]1[NH2+]CCC[C@H]21 950757339 630211385 /nfs/dbraw/zinc/21/13/85/630211385.db2.gz VKIHBEYKTJGOKH-DTWKUNHWSA-N 1 0 191.278 1.202 50 0 ADAARO Cn1cnc2c1CC[C@@H]1[NH2+]CCC[C@H]21 950757340 630212374 /nfs/dbraw/zinc/21/23/74/630212374.db2.gz VKIHBEYKTJGOKH-IUCAKERBSA-N 1 0 191.278 1.202 50 0 ADAARO CN1C(=O)C[C@@H](C[NH3+])c2ccccc21 67425316 524036027 /nfs/dbraw/zinc/03/60/27/524036027.db2.gz VTDKDLCOJRFGIB-QMMMGPOBSA-N 1 0 190.246 1.095 50 0 in-vitro ADAARO CCc1nc2c(s1)C[NH2+]CC2 49455983 630240315 /nfs/dbraw/zinc/24/03/15/630240315.db2.gz NGVYCZJXHKDYGL-UHFFFAOYSA-N 1 0 168.265 1.351 50 0 ADAARO C[C@@H]1CCCCN1C[C@H]1CCC[NH2+]1 228785631 524115694 /nfs/dbraw/zinc/11/56/94/524115694.db2.gz PTXZNJRXJUNLBS-GHMZBOCLSA-N 1 0 182.311 1.613 50 0 in-vitro ADAARO OC[C@@]1(c2ccccc2)CCC[NH2+]1 82009038 630396459 /nfs/dbraw/zinc/39/64/59/630396459.db2.gz CKMDMLWSEWIBLU-LLVKDONJSA-N 1 0 177.247 1.258 50 0 ADAARO OC[C@]1(c2ccccc2)CCC[NH2+]1 82009039 630398184 /nfs/dbraw/zinc/39/81/84/630398184.db2.gz CKMDMLWSEWIBLU-NSHDSACASA-N 1 0 177.247 1.258 50 0 ADAARO C[C@H](CN)[N@@H+]1CCCC[C@H]1C 238854783 524309516 /nfs/dbraw/zinc/30/95/16/524309516.db2.gz PJDPNPWWAPAAII-RKDXNWHRSA-N 1 0 156.273 1.208 50 0 ADAARO C[C@H]1CC[NH2+]CCS1 85343487 524312084 /nfs/dbraw/zinc/31/20/84/524312084.db2.gz VBNZYCQGFMZEMU-LURJTMIESA-N 1 0 131.244 1.101 50 0 in-vitro ADAARO Cc1ccc(CC[NH3+])o1 9115996 524322274 /nfs/dbraw/zinc/32/22/74/524322274.db2.gz KOFWQYALAZVVGL-UHFFFAOYSA-N 1 0 125.171 1.089 50 0 in-vitro ADAARO CC(=O)O[C@@H]1CC[C@@H]2CCC[NH2+][C@H]2C1 239432906 630833039 /nfs/dbraw/zinc/83/30/39/630833039.db2.gz WVVILWUFQOWLQE-AXFHLTTASA-N 1 0 197.278 1.470 50 0 ADAARO [NH3+][C@H]1CCCSCC1 82410976 630838677 /nfs/dbraw/zinc/83/86/77/630838677.db2.gz SACIYAJUZGSOJM-LURJTMIESA-N 1 0 131.244 1.231 50 0 ADAARO CC(C)(C)C12CC([NH3+])(C1)C2 585139329 630863044 /nfs/dbraw/zinc/86/30/44/630863044.db2.gz DBPCXNZELLOUFQ-UHFFFAOYSA-N 1 0 139.242 1.914 50 0 ADAARO NC[C@@H]1CC[C@H](C2CCCCC2)C[NH2+]1 757212095 630933139 /nfs/dbraw/zinc/93/31/39/630933139.db2.gz LNYAPXUEOUDEIO-RYUDHWBXSA-N 1 0 196.338 1.894 50 0 ADAARO NC[C@@H]1CC[C@@H](C2CCCCC2)C[NH2+]1 757212086 630933210 /nfs/dbraw/zinc/93/32/10/630933210.db2.gz LNYAPXUEOUDEIO-NEPJUHHUSA-N 1 0 196.338 1.894 50 0 ADAARO NC[C@H]1CC[C@@H](C2CCCCC2)C[NH2+]1 757212096 630933464 /nfs/dbraw/zinc/93/34/64/630933464.db2.gz LNYAPXUEOUDEIO-VXGBXAGGSA-N 1 0 196.338 1.894 50 0 ADAARO NC[C@H]1CC[C@H](C2CCCCC2)C[NH2+]1 757212088 630933547 /nfs/dbraw/zinc/93/35/47/630933547.db2.gz LNYAPXUEOUDEIO-NWDGAFQWSA-N 1 0 196.338 1.894 50 0 ADAARO [NH3+][C@]12CCCC[C@@H]1OCC2 950756197 631156042 /nfs/dbraw/zinc/15/60/42/631156042.db2.gz VSAMTOREUSCWJH-YUMQZZPRSA-N 1 0 141.214 1.047 50 0 ADAARO [NH3+][C@@]12CCCC[C@H]1OCC2 950756193 631156017 /nfs/dbraw/zinc/15/60/17/631156017.db2.gz VSAMTOREUSCWJH-HTQZYQBOSA-N 1 0 141.214 1.047 50 0 ADAARO FC1(F)CC[NH2+]C[C@]12CCOC2 950757189 631156157 /nfs/dbraw/zinc/15/61/57/631156157.db2.gz FSUUJDFSFSZYMK-ZETCQYMHSA-N 1 0 177.194 1.022 50 0 ADAARO [NH3+][C@@]12CCCC[C@@H]1OCC2 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958528852 631164340 /nfs/dbraw/zinc/16/43/40/631164340.db2.gz WPQAEHJQRSDNAU-QMMMGPOBSA-N 1 0 155.241 1.029 50 0 ADAARO CC(C)[C@H]([NH3+])[C@@]1(O)CCC(C)(C)C1 958528397 631164432 /nfs/dbraw/zinc/16/44/32/631164432.db2.gz QWYVBINXHHYYSN-GXSJLCMTSA-N 1 0 185.311 1.911 50 0 ADAARO CC1CCC(O)([C@H]([NH3+])C2CC2)CC1 958528681 631164460 /nfs/dbraw/zinc/16/44/60/631164460.db2.gz YXIDBRWIKDSNSH-LDGBHUKOSA-N 1 0 183.295 1.665 50 0 ADAARO CC(C)[C@@H]([NH3+])[C@@]1(O)CCCSC1 958528358 631164463 /nfs/dbraw/zinc/16/44/63/631164463.db2.gz NQKKIUYQMFNJMM-RKDXNWHRSA-N 1 0 189.324 1.228 50 0 ADAARO CC1CCC([C@H]([NH3+])C(C)(C)O)CC1 958528890 631164466 /nfs/dbraw/zinc/16/44/66/631164466.db2.gz XVZWFQBCUSNEHR-RTBKNWGFSA-N 1 0 185.311 1.911 50 0 ADAARO CC[C@H]([NH3+])C1(O)CC(C)(C)C1 958528420 631164487 /nfs/dbraw/zinc/16/44/87/631164487.db2.gz ROBGDXDIUWVGKQ-ZETCQYMHSA-N 1 0 157.257 1.275 50 0 ADAARO C[C@@H]1CCC[C@@](O)([C@H]([NH3+])C2CC2)C1 958528380 631164515 /nfs/dbraw/zinc/16/45/15/631164515.db2.gz NWEQPBXGQILJDF-IEBDPFPHSA-N 1 0 183.295 1.665 50 0 ADAARO CC[C@@H]([NH3+])C1(O)CC(C)(C)C1 958528418 631164548 /nfs/dbraw/zinc/16/45/48/631164548.db2.gz ROBGDXDIUWVGKQ-SSDOTTSWSA-N 1 0 157.257 1.275 50 0 ADAARO CC1(C)CC(O)([C@@H]([NH3+])C(C)(C)C)C1 958528616 631164554 /nfs/dbraw/zinc/16/45/54/631164554.db2.gz WUSYKWSCBFWVCR-QMMMGPOBSA-N 1 0 185.311 1.911 50 0 ADAARO CC(C)[C@H]([NH3+])[C@@]1(O)CCCSC1 958528356 631164565 /nfs/dbraw/zinc/16/45/65/631164565.db2.gz NQKKIUYQMFNJMM-DTWKUNHWSA-N 1 0 189.324 1.228 50 0 ADAARO [NH3+][C@H](C1CCC1)C1(O)CCC1 958528851 631164590 /nfs/dbraw/zinc/16/45/90/631164590.db2.gz WPQAEHJQRSDNAU-MRVPVSSYSA-N 1 0 155.241 1.029 50 0 ADAARO CC(C)[C@@H]([NH3+])[C@@]1(O)CCC(C)(C)C1 958528401 631164597 /nfs/dbraw/zinc/16/45/97/631164597.db2.gz QWYVBINXHHYYSN-MWLCHTKSSA-N 1 0 185.311 1.911 50 0 ADAARO CCC[C@@H]([NH3+])[C@]1(O)COC(C)(C)C1 958528576 631164628 /nfs/dbraw/zinc/16/46/28/631164628.db2.gz VKCNXAHXUDPCPT-PSASIEDQSA-N 1 0 187.283 1.044 50 0 ADAARO CCC[C@H]([NH3+])[C@@]1(O)COC(C)(C)C1 958528581 631164639 /nfs/dbraw/zinc/16/46/39/631164639.db2.gz VKCNXAHXUDPCPT-WPRPVWTQSA-N 1 0 187.283 1.044 50 0 ADAARO CC1CCC(O)([C@@H]([NH3+])C2CC2)CC1 958528680 631164657 /nfs/dbraw/zinc/16/46/57/631164657.db2.gz YXIDBRWIKDSNSH-JZQLECPJSA-N 1 0 183.295 1.665 50 0 ADAARO CC1CCC([C@@H]([NH3+])C(C)(C)O)CC1 958528891 631164658 /nfs/dbraw/zinc/16/46/58/631164658.db2.gz XVZWFQBCUSNEHR-UDNWOFFPSA-N 1 0 185.311 1.911 50 0 ADAARO CC(C)C[C@H]([NH3+])C1(O)CC(C)(C)C1 958528404 631164670 /nfs/dbraw/zinc/16/46/70/631164670.db2.gz QZRYDCFKVPIDAG-VIFPVBQESA-N 1 0 185.311 1.911 50 0 ADAARO C[C@@H]1CCC[C@](O)([C@H]([NH3+])C2CC2)C1 958528378 631164677 /nfs/dbraw/zinc/16/46/77/631164677.db2.gz NWEQPBXGQILJDF-FBIMIBRVSA-N 1 0 183.295 1.665 50 0 ADAARO CCC[C@H]([NH3+])[C@]1(O)COC(C)(C)C1 958528579 631164711 /nfs/dbraw/zinc/16/47/11/631164711.db2.gz VKCNXAHXUDPCPT-WCBMZHEXSA-N 1 0 187.283 1.044 50 0 ADAARO CC(C)C[C@@H]([NH3+])C1(O)CC(C)(C)C1 958528403 631164714 /nfs/dbraw/zinc/16/47/14/631164714.db2.gz QZRYDCFKVPIDAG-SECBINFHSA-N 1 0 185.311 1.911 50 0 ADAARO C[C@@H]1CCC[C@@](O)([C@@H]([NH3+])C2CC2)C1 958528382 631164730 /nfs/dbraw/zinc/16/47/30/631164730.db2.gz NWEQPBXGQILJDF-MIMYLULJSA-N 1 0 183.295 1.665 50 0 ADAARO CCC(O)(CC)[C@H]([NH3+])C1CCC1 958528311 631164740 /nfs/dbraw/zinc/16/47/40/631164740.db2.gz MIIQDQWQBVYSRD-SECBINFHSA-N 1 0 171.284 1.665 50 0 ADAARO CCC[C@@H]([NH3+])[C@]1(O)CCCSC1 958528902 631164750 /nfs/dbraw/zinc/16/47/50/631164750.db2.gz YHNYKZSNJKBAAL-BDAKNGLRSA-N 1 0 189.324 1.372 50 0 ADAARO C[C@@H]1CCC[C@](O)([C@@H]([NH3+])C2CC2)C1 958528368 631164803 /nfs/dbraw/zinc/16/48/03/631164803.db2.gz NWEQPBXGQILJDF-DVVUODLYSA-N 1 0 183.295 1.665 50 0 ADAARO CC(C)[C@@H]([NH3+])[C@]1(O)CCC(C)(C)C1 958528398 631164912 /nfs/dbraw/zinc/16/49/12/631164912.db2.gz QWYVBINXHHYYSN-KOLCDFICSA-N 1 0 185.311 1.911 50 0 ADAARO CCC(O)(CC)[C@@H]([NH3+])C1CCC1 958528312 631164978 /nfs/dbraw/zinc/16/49/78/631164978.db2.gz MIIQDQWQBVYSRD-VIFPVBQESA-N 1 0 171.284 1.665 50 0 ADAARO CC(C)[C@H]([NH3+])[C@]1(O)CCCSC1 958528357 631165001 /nfs/dbraw/zinc/16/50/01/631165001.db2.gz NQKKIUYQMFNJMM-IUCAKERBSA-N 1 0 189.324 1.228 50 0 ADAARO CCC(O)(CC)[C@H]([NH3+])C(C)(C)C 115348952 631172070 /nfs/dbraw/zinc/17/20/70/631172070.db2.gz NACYIPVPLXPNTM-MRVPVSSYSA-N 1 0 173.300 1.911 50 0 ADAARO C[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H]2O)CCC[C@H]1C 306307522 631170488 /nfs/dbraw/zinc/17/04/88/631170488.db2.gz FQOPXBVFFSFLOC-YBXAARCKSA-N 1 0 197.322 1.924 50 0 ADAARO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]2O)[C@@H]1C 306307514 631170725 /nfs/dbraw/zinc/17/07/25/631170725.db2.gz FQOPXBVFFSFLOC-RMPHRYRLSA-N 1 0 197.322 1.924 50 0 ADAARO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H]2O)[C@@H]1C 306307505 631170782 /nfs/dbraw/zinc/17/07/82/631170782.db2.gz FQOPXBVFFSFLOC-LZQZFOIKSA-N 1 0 197.322 1.924 50 0 ADAARO C[C@H]1[C@H](C)CCC[C@H]1[NH2+][C@@H]1CC[C@H]1O 306307495 631170834 /nfs/dbraw/zinc/17/08/34/631170834.db2.gz FQOPXBVFFSFLOC-IYKVGLELSA-N 1 0 197.322 1.924 50 0 ADAARO CC(C)(C)[C@@H]([NH3+])C1(O)CCCC1 115349332 631171936 /nfs/dbraw/zinc/17/19/36/631171936.db2.gz QVSUNLULOGJMAU-MRVPVSSYSA-N 1 0 171.284 1.665 50 0 ADAARO CCC(O)(CC)[C@@H]([NH3+])C(C)(C)C 115348956 631172021 /nfs/dbraw/zinc/17/20/21/631172021.db2.gz NACYIPVPLXPNTM-QMMMGPOBSA-N 1 0 173.300 1.911 50 0 ADAARO COC(=O)CC[C@@H](C[NH3+])C(F)(F)F 115688704 631172214 /nfs/dbraw/zinc/17/22/14/631172214.db2.gz KKRBFHDEOGWXNV-YFKPBYRVSA-N 1 0 199.172 1.077 50 0 ADAARO COC(=O)CC[C@H](C[NH3+])C(F)(F)F 115688706 631172272 /nfs/dbraw/zinc/17/22/72/631172272.db2.gz KKRBFHDEOGWXNV-RXMQYKEDSA-N 1 0 199.172 1.077 50 0 ADAARO C[C@@H]1CC[C@@H]([NH+]2CCN(C)CC2)C1 19642204 631172384 /nfs/dbraw/zinc/17/23/84/631172384.db2.gz WMUCTWTUVZDNEP-GHMZBOCLSA-N 1 0 182.311 1.422 50 0 ADAARO CC(C)(C)[C@@H]([NH3+])C1(O)CCC1 115349018 631172448 /nfs/dbraw/zinc/17/24/48/631172448.db2.gz HIPFRWXSZJROES-SSDOTTSWSA-N 1 0 157.257 1.275 50 0 ADAARO CC(C)C[C@@H]([NH3+])C1(O)CCC1 115347180 631172521 /nfs/dbraw/zinc/17/25/21/631172521.db2.gz DJDMWMUWUJTNPF-MRVPVSSYSA-N 1 0 157.257 1.275 50 0 ADAARO C[C@@H]([NH3+])c1ccccc1F 2598067 525031174 /nfs/dbraw/zinc/03/11/74/525031174.db2.gz DIWHJJUFVGEXGS-ZCFIWIBFSA-N 1 0 139.173 1.845 50 0 in-vitro ADAARO C[C@@H]1C[C@@H]2C[C@@H](O)CC[C@H]2[N@@H+]1C 306414310 525354257 /nfs/dbraw/zinc/35/42/57/525354257.db2.gz VZQLFRWMWJBXKK-DOLQZWNJSA-N 1 0 169.268 1.240 50 0 ADAARO C[C@@H]1C[C@@H]2C[C@@H](O)CC[C@@H]2[N@@H+]1C 306414311 525355252 /nfs/dbraw/zinc/35/52/52/525355252.db2.gz VZQLFRWMWJBXKK-IMSYWVGJSA-N 1 0 169.268 1.240 50 0 ADAARO C[C@@H]1C[C@@H]2C[C@H](O)CC[C@H]2[N@@H+]1C 306414313 525355387 /nfs/dbraw/zinc/35/53/87/525355387.db2.gz VZQLFRWMWJBXKK-ZYUZMQFOSA-N 1 0 169.268 1.240 50 0 ADAARO C[C@@H]1C[C@@H]2C[C@H](O)CC[C@@H]2[N@@H+]1C 306414312 525355502 /nfs/dbraw/zinc/35/55/02/525355502.db2.gz VZQLFRWMWJBXKK-KYXWUPHJSA-N 1 0 169.268 1.240 50 0 ADAARO CCc1cc(C[NH+](CC)CC)[nH]n1 5686742 1224162767 /nfs/dbraw/zinc/16/27/67/1224162767.db2.gz WALKAYMHDQCIKO-UHFFFAOYSA-N 1 0 181.283 1.814 50 0 ADAARO CCCCNC(=O)C1([NH3+])CCCCC1 19424138 1224163506 /nfs/dbraw/zinc/16/35/06/1224163506.db2.gz ZPPXVPIDPWAJOG-UHFFFAOYSA-N 1 0 198.310 1.564 50 0 in-vitro ADAARO COC(=O)c1ccc(C)c(CC[NH3+])c1 44372226 1224169319 /nfs/dbraw/zinc/16/93/19/1224169319.db2.gz JJDIRNBBCSPTHA-UHFFFAOYSA-N 1 0 193.246 1.283 50 0 ADAARO CC[C@@H]([NH3+])C1(O)CCCCC1 62715897 1224172303 /nfs/dbraw/zinc/17/23/03/1224172303.db2.gz RWSBYEDXGRWQQA-MRVPVSSYSA-N 1 0 157.257 1.419 50 0 ADAARO CC[C@H]([NH3+])C1(O)CCCCC1 62715894 1224172624 /nfs/dbraw/zinc/17/26/24/1224172624.db2.gz RWSBYEDXGRWQQA-QMMMGPOBSA-N 1 0 157.257 1.419 50 0 ADAARO C[C@@H]([NH3+])c1ccn(-c2ccccc2)n1 158860721 1224191021 /nfs/dbraw/zinc/19/10/21/1224191021.db2.gz COWDAISMBRJFEK-SECBINFHSA-N 1 0 187.246 1.892 50 0 ADAARO C[C@H]([NH3+])c1ccn(-c2ccccc2)n1 158860573 1224191093 /nfs/dbraw/zinc/19/10/93/1224191093.db2.gz COWDAISMBRJFEK-VIFPVBQESA-N 1 0 187.246 1.892 50 0 ADAARO COC(OC)c1ccc(F)c(C[NH3+])c1 166266369 1224197739 /nfs/dbraw/zinc/19/77/39/1224197739.db2.gz GJYSXIZJWZVVRV-UHFFFAOYSA-N 1 0 199.225 1.576 50 0 ADAARO COC(=O)[C@]1(C)CCC[C@H]([NH3+])C1 214005836 1224217229 /nfs/dbraw/zinc/21/72/29/1224217229.db2.gz PYMSRNPVZDVUOZ-IONNQARKSA-N 1 0 171.240 1.067 50 0 ADAARO COC(=O)[C@@]1(C)CCC[C@H]([NH3+])C1 214005778 1224217814 /nfs/dbraw/zinc/21/78/14/1224217814.db2.gz PYMSRNPVZDVUOZ-CBAPKCEASA-N 1 0 171.240 1.067 50 0 ADAARO COC(=O)[C@]1(C)CCC[C@@H]([NH3+])C1 214005954 1224217888 /nfs/dbraw/zinc/21/78/88/1224217888.db2.gz PYMSRNPVZDVUOZ-VXNVDRBHSA-N 1 0 171.240 1.067 50 0 ADAARO COC(=O)[C@@]1(C)CCC[C@@H]([NH3+])C1 214005898 1224217994 /nfs/dbraw/zinc/21/79/94/1224217994.db2.gz PYMSRNPVZDVUOZ-APPZFPTMSA-N 1 0 171.240 1.067 50 0 ADAARO [NH3+]C[C@@H]1CCC[NH2+][C@@H]1C1CCCCC1 238560229 1224237311 /nfs/dbraw/zinc/23/73/11/1224237311.db2.gz PXVOUTKVNMCHRN-NWDGAFQWSA-N 1 0 196.338 1.894 50 0 ADAARO Cc1ccc([C@@H]([NH3+])CF)cc1 107117568 525766588 /nfs/dbraw/zinc/76/65/88/525766588.db2.gz NEEXTJBVIRVOKK-VIFPVBQESA-N 1 0 153.200 1.964 50 0 ADAARO C[C@H](O)[C@H](C)[NH+]1CCCCC1 40457246 525839370 /nfs/dbraw/zinc/83/93/70/525839370.db2.gz ZLGJKFMVCXTIPS-IUCAKERBSA-N 1 0 157.257 1.242 50 0 in-vitro ADAARO C[C@@H](O)[C@@H](C)[NH+]1CCCCC1 40457245 525844553 /nfs/dbraw/zinc/84/45/53/525844553.db2.gz ZLGJKFMVCXTIPS-RKDXNWHRSA-N 1 0 157.257 1.242 50 0 in-vitro ADAARO COc1cccc(C2([NH3+])CC2)c1F 84931326 525850323 /nfs/dbraw/zinc/85/03/23/525850323.db2.gz RCXFDXLBMBRCDA-UHFFFAOYSA-N 1 0 181.210 1.782 50 0 ADAARO C[C@@H]([C@@H](C)O)[NH+]1CCCCC1 40457244 525855191 /nfs/dbraw/zinc/85/51/91/525855191.db2.gz ZLGJKFMVCXTIPS-DTWKUNHWSA-N 1 0 157.257 1.242 50 0 in-vitro ADAARO CCOC(=O)[C@H]1[C@H](C)[NH2+][C@H](C)C[C@H]1C 675050895 538447386 /nfs/dbraw/zinc/44/73/86/538447386.db2.gz ZBCGCJNPSKFGBN-DOLQZWNJSA-N 1 0 199.294 1.572 50 0 ADAARO CCOC(=O)[C@H]1[C@H](C)[NH2+][C@@H](C)C[C@H]1C 675050897 538447888 /nfs/dbraw/zinc/44/78/88/538447888.db2.gz ZBCGCJNPSKFGBN-XFWSIPNHSA-N 1 0 199.294 1.572 50 0 ADAARO C[NH2+]C[C@]12CCC[C@H]1OCC2 675055687 538448673 /nfs/dbraw/zinc/44/86/73/538448673.db2.gz ZJXOXHJEAAOCHL-RKDXNWHRSA-N 1 0 155.241 1.165 50 0 ADAARO Cc1ccc([C@H]([NH3+])CF)cc1 107117565 525961240 /nfs/dbraw/zinc/96/12/40/525961240.db2.gz NEEXTJBVIRVOKK-SECBINFHSA-N 1 0 153.200 1.964 50 0 ADAARO C[C@H](O)[C@@H](C)[NH+]1CCCCC1 40457247 526028932 /nfs/dbraw/zinc/02/89/32/526028932.db2.gz ZLGJKFMVCXTIPS-BDAKNGLRSA-N 1 0 157.257 1.242 50 0 in-vitro ADAARO C[C@H]1CC2(CCOCC2)C[NH2+]1 238487591 526234242 /nfs/dbraw/zinc/23/42/42/526234242.db2.gz LHTLVFNZXKXOAP-QMMMGPOBSA-N 1 0 155.241 1.165 50 0 ADAARO C[C@@H]1CC2(CCOCC2)C[NH2+]1 238396398 526234980 /nfs/dbraw/zinc/23/49/80/526234980.db2.gz LHTLVFNZXKXOAP-MRVPVSSYSA-N 1 0 155.241 1.165 50 0 ADAARO C[C@H]1CCCCN1C[C@H]1CCC[NH2+]1 228785641 526251132 /nfs/dbraw/zinc/25/11/32/526251132.db2.gz PTXZNJRXJUNLBS-WDEREUQCSA-N 1 0 182.311 1.613 50 0 in-vitro ADAARO FC1(F)C[C@@H]2CCC[C@H](C1)[NH2+]2 238667950 526279228 /nfs/dbraw/zinc/27/92/28/526279228.db2.gz KOQPGHKFYCIDEC-KNVOCYPGSA-N 1 0 161.195 1.926 50 0 ADAARO Cc1nnc(SCCC[NH3+])s1 12427722 526384163 /nfs/dbraw/zinc/38/41/63/526384163.db2.gz SYKNLIQGDBTKQC-UHFFFAOYSA-N 1 0 189.309 1.287 50 0 in-vitro ADAARO c1ccc(N2CCC[NH2+]C2)cc1 82014634 526480837 /nfs/dbraw/zinc/48/08/37/526480837.db2.gz NFSWLBGFGDWHRT-UHFFFAOYSA-N 1 0 162.236 1.444 50 0 ADAARO c1cncc([C@@H]2[NH2+]CC23CCC3)c1 306167561 526548558 /nfs/dbraw/zinc/54/85/58/526548558.db2.gz DLATYZOPBAWRGB-JTQLQIEISA-N 1 0 174.247 1.896 50 0 ADAARO c1cncc([C@H]2[NH2+]CC23CCC3)c1 306167564 526549632 /nfs/dbraw/zinc/54/96/32/526549632.db2.gz DLATYZOPBAWRGB-SNVBAGLBSA-N 1 0 174.247 1.896 50 0 ADAARO [NH2+]=C(Cc1cc(F)ccc1F)NO 6862924 526816107 /nfs/dbraw/zinc/81/61/07/526816107.db2.gz HRRULLAHEAQWMU-UHFFFAOYSA-N 1 0 186.161 1.463 50 0 ADAARO Clc1cc(N2CC[NH2+]CC2)ccn1 64033612 526929867 /nfs/dbraw/zinc/92/98/67/526929867.db2.gz CVBPSGWUINXSQC-UHFFFAOYSA-N 1 0 197.669 1.145 50 0 in-vitro ADAARO [NH3+]C1(C2CCC2)CCC1 139841748 527129061 /nfs/dbraw/zinc/12/90/61/527129061.db2.gz QYHWVEQLYSKKQK-UHFFFAOYSA-N 1 0 125.215 1.668 50 0 ADAARO [NH3+]C1CC(c2cccnc2)C1 87199598 527137632 /nfs/dbraw/zinc/13/76/32/527137632.db2.gz IALRMXWFKHKPEX-UHFFFAOYSA-N 1 0 148.209 1.286 50 0 ADAARO [NH3+]C1CCC2(CC1)CC2(F)F 258418392 527142835 /nfs/dbraw/zinc/14/28/35/527142835.db2.gz BSCLVOMPNSVOPF-UHFFFAOYSA-N 1 0 161.195 1.913 50 0 ADAARO [NH3+]C[C@@H]1CCCN(c2ccccc2)C1 84452431 527212425 /nfs/dbraw/zinc/21/24/25/527212425.db2.gz PUHARHOETXRMES-NSHDSACASA-N 1 0 190.290 1.862 50 0 in-vitro ADAARO [NH3+]C[C@@H]1C[C@H]1C1CCC1 85578538 527220574 /nfs/dbraw/zinc/22/05/74/527220574.db2.gz RATGTQPCEUIPOU-YUMQZZPRSA-N 1 0 125.215 1.381 50 0 ADAARO [NH3+]C[C@H]1CCCN(c2ccccc2)C1 84452430 527234643 /nfs/dbraw/zinc/23/46/43/527234643.db2.gz PUHARHOETXRMES-LLVKDONJSA-N 1 0 190.290 1.862 50 0 in-vitro ADAARO [NH3+]Cc1cccnc1N1CCCCC1 95348735 527260554 /nfs/dbraw/zinc/26/05/54/527260554.db2.gz KXXQYKLDAVDLNN-UHFFFAOYSA-N 1 0 191.278 1.531 50 0 ADAARO [NH3+][C@@H]1CCCN(c2ccccc2)C1=O 68591711 527348100 /nfs/dbraw/zinc/34/81/00/527348100.db2.gz XYZGJLDFMCEELX-SNVBAGLBSA-N 1 0 190.246 1.141 50 0 ADAARO [NH3+][C@@H]1CCCN(c2ccccn2)C1 95147651 527348649 /nfs/dbraw/zinc/34/86/49/527348649.db2.gz PTJPUGUXHUHAKT-SECBINFHSA-N 1 0 177.251 1.009 50 0 in-vitro ADAARO [NH3+][C@H]1CCCN(c2ccccc2)C1=O 68591706 527401554 /nfs/dbraw/zinc/40/15/54/527401554.db2.gz XYZGJLDFMCEELX-JTQLQIEISA-N 1 0 190.246 1.141 50 0 ADAARO [NH3+][C@H]1CCCN(c2ccccn2)C1 95147650 527401617 /nfs/dbraw/zinc/40/16/17/527401617.db2.gz PTJPUGUXHUHAKT-VIFPVBQESA-N 1 0 177.251 1.009 50 0 in-vitro ADAARO [NH3+][C@@H]1CC[C@H]2[C@@H](CC1)C2(F)F 306432204 527414928 /nfs/dbraw/zinc/41/49/28/527414928.db2.gz YLBVAYYXKMWGIU-KVSKUHBBSA-N 1 0 161.195 1.769 50 0 ADAARO [NH3+][C@H]1C[C@H](Oc2ccccc2)C1 238571900 527418759 /nfs/dbraw/zinc/41/87/59/527418759.db2.gz RLGGIPLURZLJFB-WAAGHKOSSA-N 1 0 163.220 1.555 50 0 ADAARO [NH3+][C@@H]1[C@@H](C(F)(F)F)[C@H]1C(F)(F)F 238856843 527420244 /nfs/dbraw/zinc/42/02/44/527420244.db2.gz XHURJIIQBRIVGW-GJQXYZOGSA-N 1 0 193.090 1.684 50 0 ADAARO [NH3+][C@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]5C[C@@H]([C@H]14)[C@@H]2[C@@H]35 238855083 527420952 /nfs/dbraw/zinc/42/09/52/527420952.db2.gz QJVKRKOJYPDHKU-PVILEYKJSA-N 1 0 161.248 1.092 50 0 in-vitro ADAARO Nc1ccc(CC2CC[NH2+]CC2)cn1 238638886 527479777 /nfs/dbraw/zinc/47/97/77/527479777.db2.gz GURZDNOCBUCDBB-UHFFFAOYSA-N 1 0 191.278 1.206 50 0 ADAARO Nc1ccc(C[C@@H]2CCC[NH2+]C2)cn1 238640574 527483616 /nfs/dbraw/zinc/48/36/16/527483616.db2.gz YYIXBIFNOMFDOT-VIFPVBQESA-N 1 0 191.278 1.206 50 0 ADAARO Nc1ccc(C[C@H]2CCC[NH2+]C2)cn1 238640711 527483654 /nfs/dbraw/zinc/48/36/54/527483654.db2.gz YYIXBIFNOMFDOT-SECBINFHSA-N 1 0 191.278 1.206 50 0 ADAARO OC1(c2cccc3ccccc23)C[NH2+]C1 84351759 527513684 /nfs/dbraw/zinc/51/36/84/527513684.db2.gz GYIBYLJCPPMQKB-UHFFFAOYSA-N 1 0 199.253 1.631 50 0 ADAARO Nc1cccc(N2CCCCC2)[nH+]1 71404310 527518468 /nfs/dbraw/zinc/51/84/68/527518468.db2.gz RCGLVZGTHFCFMW-UHFFFAOYSA-N 1 0 177.251 1.654 50 0 ADAARO Nc1cc[nH+]cc1N1CCCCC1 84444815 527535873 /nfs/dbraw/zinc/53/58/73/527535873.db2.gz BKWUVVNRSKZZNU-UHFFFAOYSA-N 1 0 177.251 1.654 50 0 ADAARO Cn1ncc(C2CCC2)c1C[NH3+] 257814652 527567927 /nfs/dbraw/zinc/56/79/27/527567927.db2.gz AVIMDQPLUNQZLB-UHFFFAOYSA-N 1 0 165.240 1.146 50 0 ADAARO OC[C@@H]1CCC2(CCCC2)C[NH2+]1 238676799 527586842 /nfs/dbraw/zinc/58/68/42/527586842.db2.gz ALGUSOYPSGMARJ-VIFPVBQESA-N 1 0 169.268 1.291 50 0 ADAARO OC[C@@]1(c2cccc(F)c2)CC[NH2+]C1 238699085 527604780 /nfs/dbraw/zinc/60/47/80/527604780.db2.gz KVLAHVJAVCGENK-LLVKDONJSA-N 1 0 195.237 1.049 50 0 ADAARO OC[C@H]1CCC2(CCCC2)C[NH2+]1 238670474 527614097 /nfs/dbraw/zinc/61/40/97/527614097.db2.gz ALGUSOYPSGMARJ-SECBINFHSA-N 1 0 169.268 1.291 50 0 ADAARO OC[C@]1(c2cccc(F)c2)CC[NH2+]C1 238697330 527629029 /nfs/dbraw/zinc/62/90/29/527629029.db2.gz KVLAHVJAVCGENK-NSHDSACASA-N 1 0 195.237 1.049 50 0 ADAARO OCc1ccc([C@@H]2CC[NH2+]C2)cc1F 238687124 527634689 /nfs/dbraw/zinc/63/46/89/527634689.db2.gz WTTWMPWSCIBJTQ-SECBINFHSA-N 1 0 195.237 1.395 50 0 ADAARO OCc1ccc([C@H]2CC[NH2+]C2)cc1F 238688497 527635257 /nfs/dbraw/zinc/63/52/57/527635257.db2.gz WTTWMPWSCIBJTQ-VIFPVBQESA-N 1 0 195.237 1.395 50 0 ADAARO FC(F)C12CC(C[NH2+]1)C2 306370344 527692639 /nfs/dbraw/zinc/69/26/39/527692639.db2.gz LYEBDOQCTRDNIO-UHFFFAOYSA-N 1 0 133.141 1.004 50 0 ADAARO CC(C)c1nccn1CC1C[NH2+]C1 306162251 528367276 /nfs/dbraw/zinc/36/72/76/528367276.db2.gz SFPYPZMTYZTMPX-UHFFFAOYSA-N 1 0 179.267 1.226 50 0 ADAARO CC[n+]1ccccc1Br 399124 529460459 /nfs/dbraw/zinc/46/04/59/529460459.db2.gz DHNFNQBENYFUAK-UHFFFAOYSA-N 1 0 187.060 1.757 50 0 in-vitro ADAARO COc1ccccc1CC[NH3+] 403214 534048842 /nfs/dbraw/zinc/04/88/42/534048842.db2.gz WSWPCNMLEVZGSM-UHFFFAOYSA-N 1 0 151.209 1.196 50 0 in-vitro ADAARO COc1ccccc1COCC[NH3+] 51864674 534092376 /nfs/dbraw/zinc/09/23/76/534092376.db2.gz ISDANNAKOLJMAG-UHFFFAOYSA-N 1 0 181.235 1.171 50 0 in-vitro ADAARO COc1ccccc1C[C@H](C)[NH3+] 1587881 534119408 /nfs/dbraw/zinc/11/94/08/534119408.db2.gz VBAHFEPKESUPDE-QMMMGPOBSA-N 1 0 165.236 1.585 50 0 in-vivo ADAARO CC(C)O[C@@H]1CC[NH2+][C@H](C)C1 229552152 534900554 /nfs/dbraw/zinc/90/05/54/534900554.db2.gz WLIWCCFSVLOCRP-RKDXNWHRSA-N 1 0 157.257 1.552 50 0 ADAARO CCc1ccc(N2CC[NH2+]CC2)cc1 11525764 536184972 /nfs/dbraw/zinc/18/49/72/536184972.db2.gz GLJGLGNGUCOPBJ-UHFFFAOYSA-N 1 0 190.290 1.659 50 0 in-vitro ADAARO COc1ccccc1N1CC[NH2+]CC1 12687 537072318 /nfs/dbraw/zinc/07/23/18/537072318.db2.gz VNZLQLYBRIOLFZ-UHFFFAOYSA-N 1 0 192.262 1.105 50 0 in-vivo ADAARO COc1cccc(N2CC[NH2+]CC2)c1 66034 537125689 /nfs/dbraw/zinc/12/56/89/537125689.db2.gz PZIBVWUXWNYTNL-UHFFFAOYSA-N 1 0 192.262 1.105 50 0 in-vitro ADAARO CCc1onc(C)c1C[NH3+] 19056136 537777135 /nfs/dbraw/zinc/77/71/35/537777135.db2.gz VDNQLDAHUXJXRF-UHFFFAOYSA-N 1 0 140.186 1.004 50 0 ADAARO CCC[NH2+]Cc1ccnc(F)c1F 675070434 537781235 /nfs/dbraw/zinc/78/12/35/537781235.db2.gz YTOMAKQSGNVEQK-UHFFFAOYSA-N 1 0 186.205 1.859 50 0 ADAARO CC(C)[NH2+]Cc1ccnc(F)c1F 675070392 537781545 /nfs/dbraw/zinc/78/15/45/537781545.db2.gz WVQWOXOIOVHTCY-UHFFFAOYSA-N 1 0 186.205 1.858 50 0 ADAARO CC[NH2+]Cc1ccnc(F)c1F 675070251 537782390 /nfs/dbraw/zinc/78/23/90/537782390.db2.gz UGBVFAQQRXOISV-UHFFFAOYSA-N 1 0 172.178 1.469 50 0 ADAARO Cc1ccc(-c2cc(C[NH3+])[nH]n2)cc1 20270435 537783970 /nfs/dbraw/zinc/78/39/70/537783970.db2.gz TVLWHWRQKOQENB-UHFFFAOYSA-N 1 0 187.246 1.844 50 0 ADAARO Fc1nccc(C[NH2+]C2CC2)c1F 675070453 537785163 /nfs/dbraw/zinc/78/51/63/537785163.db2.gz ZCSBKGVIYYZAJL-UHFFFAOYSA-N 1 0 184.189 1.612 50 0 ADAARO C[C@@H]1CCCC(C)(C)[NH2+]1 34256408 537793210 /nfs/dbraw/zinc/79/32/10/537793210.db2.gz QARRCHMPOZWNED-SSDOTTSWSA-N 1 0 127.231 1.927 50 0 ADAARO C[C@H]1CCCC(C)(C)[NH2+]1 34256409 537793862 /nfs/dbraw/zinc/79/38/62/537793862.db2.gz QARRCHMPOZWNED-ZETCQYMHSA-N 1 0 127.231 1.927 50 0 ADAARO N[C@H](CC[NH2+]C1CC1)C(F)(F)F 675081329 537809091 /nfs/dbraw/zinc/80/90/91/537809091.db2.gz ABPGFVXAWSCKPY-ZCFIWIBFSA-N 1 0 182.189 1.018 50 0 ADAARO N[C@@H](CC[NH2+]C1CC1)C(F)(F)F 675081320 537809596 /nfs/dbraw/zinc/80/95/96/537809596.db2.gz ABPGFVXAWSCKPY-LURJTMIESA-N 1 0 182.189 1.018 50 0 ADAARO C[N@@H+]1CC[C@H](CNc2ccccn2)C1 37485195 537815266 /nfs/dbraw/zinc/81/52/66/537815266.db2.gz RZVLFJSSCXIIGZ-SNVBAGLBSA-N 1 0 191.278 1.445 50 0 ADAARO c1cc2c(c[nH+]1)N1CC[C@@H](C1)N2 685944701 537812790 /nfs/dbraw/zinc/81/27/90/537812790.db2.gz RWPUIZSLQJWUBU-ZETCQYMHSA-N 1 0 161.208 1.086 50 0 ADAARO C[C@]12C[NH2+]C[C@H]1[C@H]1CC[C@@H]2C1 685945631 537813057 /nfs/dbraw/zinc/81/30/57/537813057.db2.gz VUPZBVMJJYOSPA-QCLAVDOMSA-N 1 0 151.253 1.642 50 0 ADAARO CC12CCC(C[NH3+])(CC1)CO2 685945630 537813392 /nfs/dbraw/zinc/81/33/92/537813392.db2.gz SHIDZDHFGQQYLA-UHFFFAOYSA-N 1 0 155.241 1.294 50 0 ADAARO C[C@]12C[NH2+]C[C@H]1[C@H]1C=C[C@@H]2C1 685945632 537813581 /nfs/dbraw/zinc/81/35/81/537813581.db2.gz VWGFOUMXRQBTRV-QCLAVDOMSA-N 1 0 149.237 1.418 50 0 ADAARO C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 37485196 537813622 /nfs/dbraw/zinc/81/36/22/537813622.db2.gz RZVLFJSSCXIIGZ-JTQLQIEISA-N 1 0 191.278 1.445 50 0 ADAARO COC(=O)C1(CCCC[NH3+])CCC1 685939343 537814036 /nfs/dbraw/zinc/81/40/36/537814036.db2.gz VZCAPRHOJNHMIJ-UHFFFAOYSA-N 1 0 185.267 1.459 50 0 ADAARO CC1(C)C(C)(C)C1(C)[NH3+] 685944158 537814391 /nfs/dbraw/zinc/81/43/91/537814391.db2.gz UCLNDQWLXAHDRE-UHFFFAOYSA-N 1 0 127.231 1.770 50 0 ADAARO CC(C)[NH2+]Cc1c(F)cncc1F 685945918 537815664 /nfs/dbraw/zinc/81/56/64/537815664.db2.gz GDOLUSWLLWEOQU-UHFFFAOYSA-N 1 0 186.205 1.858 50 0 ADAARO [NH3+]CC1([C@@H]2CCCO2)CCC1 685945665 537815726 /nfs/dbraw/zinc/81/57/26/537815726.db2.gz HMNXUYJDELXFAK-QMMMGPOBSA-N 1 0 155.241 1.294 50 0 ADAARO FCCC1C[C@@H]2CC[C@H](C1)[NH2+]2 685945655 537816463 /nfs/dbraw/zinc/81/64/63/537816463.db2.gz LCOJMTGKRWZKLZ-CBLAIPOGSA-N 1 0 157.232 1.877 50 0 ADAARO [NH3+]CC1([C@H]2CCCO2)CCC1 685945664 537816664 /nfs/dbraw/zinc/81/66/64/537816664.db2.gz HMNXUYJDELXFAK-MRVPVSSYSA-N 1 0 155.241 1.294 50 0 ADAARO CC[NH2+]Cc1c(F)cncc1F 685946324 537816930 /nfs/dbraw/zinc/81/69/30/537816930.db2.gz PEVIOTONBVVTNI-UHFFFAOYSA-N 1 0 172.178 1.469 50 0 ADAARO Fc1cncc(F)c1C[NH2+]C1CC1 685946985 537818968 /nfs/dbraw/zinc/81/89/68/537818968.db2.gz YJNXHQHLZBLIBZ-UHFFFAOYSA-N 1 0 184.189 1.612 50 0 ADAARO CCC[NH2+]Cc1c(F)cncc1F 685947032 537819740 /nfs/dbraw/zinc/81/97/40/537819740.db2.gz ZPDBNHJWFZRGJR-UHFFFAOYSA-N 1 0 186.205 1.859 50 0 ADAARO C[C@H]([NH2+]CC(C)(C)O)c1cccnc1 37692313 537820185 /nfs/dbraw/zinc/82/01/85/537820185.db2.gz GMIHGSBSTFGJQI-VIFPVBQESA-N 1 0 194.278 1.503 50 0 ADAARO Nc1cccc(-c2cc(C[NH3+])[nH]n2)c1 685949967 537829785 /nfs/dbraw/zinc/82/97/85/537829785.db2.gz XXXSVJVXQKFRIL-UHFFFAOYSA-N 1 0 188.234 1.118 50 0 ADAARO Cc1ccc(C[C@@H](O)C[NH3+])c(C)c1 41200949 537843032 /nfs/dbraw/zinc/84/30/32/537843032.db2.gz WOBVCFKKTFNUQG-LLVKDONJSA-N 1 0 179.263 1.166 50 0 ADAARO [NH3+]CC1CCC=CCC1 60228663 537863311 /nfs/dbraw/zinc/86/33/11/537863311.db2.gz LNCGPWNSTUWBPK-UHFFFAOYSA-N 1 0 125.215 1.692 50 0 ADAARO C[C@](O)(CC[NH3+])C1CCCCC1 74310355 537866593 /nfs/dbraw/zinc/86/65/93/537866593.db2.gz RLXPHHPHRJZEMO-JTQLQIEISA-N 1 0 171.284 1.667 50 0 ADAARO C[C@@](O)(CC[NH3+])C1CCCCC1 74310353 537868401 /nfs/dbraw/zinc/86/84/01/537868401.db2.gz RLXPHHPHRJZEMO-SNVBAGLBSA-N 1 0 171.284 1.667 50 0 ADAARO COc1ccc([C@@H]2CCC[NH2+]2)nc1 75085807 537873557 /nfs/dbraw/zinc/87/35/57/537873557.db2.gz CBYFWJMANPUIGH-VIFPVBQESA-N 1 0 178.235 1.515 50 0 ADAARO COc1ccc([C@H]2CCC[NH2+]2)nc1 75085809 537873537 /nfs/dbraw/zinc/87/35/37/537873537.db2.gz CBYFWJMANPUIGH-SECBINFHSA-N 1 0 178.235 1.515 50 0 ADAARO CC(C)([NH3+])/C=C/Cl 80497670 537874641 /nfs/dbraw/zinc/87/46/41/537874641.db2.gz FKZLEYGHXAHJMD-ONEGZZNKSA-N 1 0 119.595 1.476 50 0 ADAARO c1ccc(NC2C[NH2+]C2)cc1 78730818 537875423 /nfs/dbraw/zinc/87/54/23/537875423.db2.gz KVYJEZOOWNNACE-UHFFFAOYSA-N 1 0 148.209 1.070 50 0 ADAARO [NH3+][C@@H](CC1CC1)c1ccccn1 78677736 537878207 /nfs/dbraw/zinc/87/82/07/537878207.db2.gz PYCOFCQXXBAOAL-VIFPVBQESA-N 1 0 162.236 1.882 50 0 ADAARO C1CCC([C@H]2CC[NH2+]2)C1 78677652 537877041 /nfs/dbraw/zinc/87/70/41/537877041.db2.gz WWTQWGUZKPTNIS-MRVPVSSYSA-N 1 0 125.215 1.539 50 0 ADAARO CC[C@H]([NH3+])C1CCC1 78677655 537877138 /nfs/dbraw/zinc/87/71/38/537877138.db2.gz ATLIJMMWNBLSBC-ZETCQYMHSA-N 1 0 113.204 1.524 50 0 ADAARO C1CCC([C@@H]2CC[NH2+]2)C1 78677648 537877514 /nfs/dbraw/zinc/87/75/14/537877514.db2.gz WWTQWGUZKPTNIS-QMMMGPOBSA-N 1 0 125.215 1.539 50 0 ADAARO [NH3+]CCC1CC=CC1 82220825 537877826 /nfs/dbraw/zinc/87/78/26/537877826.db2.gz KECVNUNEGBLHFH-UHFFFAOYSA-N 1 0 111.188 1.301 50 0 ADAARO CC[C@@H]([NH3+])C1CCC1 78677659 537878256 /nfs/dbraw/zinc/87/82/56/537878256.db2.gz ATLIJMMWNBLSBC-SSDOTTSWSA-N 1 0 113.204 1.524 50 0 ADAARO C[Si](C)(C)CSCCC[NH3+] 685965965 537878448 /nfs/dbraw/zinc/87/84/48/537878448.db2.gz 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