smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+]1CC(N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001043059310 710802523 /nfs/dbraw/zinc/80/25/23/710802523.db2.gz INPOZZGHNIPZLW-ZDUSSCGKSA-N 1 2 248.370 2.061 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@]2(C)C=CCC2)C1 ZINC001043549550 710809826 /nfs/dbraw/zinc/80/98/26/710809826.db2.gz AOWNPEUJRQZFBP-OAHLLOKOSA-N 1 2 248.370 2.061 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC)CC[C@@H]1C ZINC001071278747 711183273 /nfs/dbraw/zinc/18/32/73/711183273.db2.gz IPNJQGBVRZGONC-WDEREUQCSA-N 1 2 244.766 2.118 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC)CC[C@@H]1C ZINC001071278747 711183274 /nfs/dbraw/zinc/18/32/74/711183274.db2.gz IPNJQGBVRZGONC-WDEREUQCSA-N 1 2 244.766 2.118 20 30 BEEDLO N#CCc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000399161931 711423317 /nfs/dbraw/zinc/42/33/17/711423317.db2.gz FLQIBCWGBJRZFJ-HNNXBMFYSA-N 1 2 239.322 2.488 20 30 BEEDLO N#CCc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000399161931 711423320 /nfs/dbraw/zinc/42/33/20/711423320.db2.gz FLQIBCWGBJRZFJ-HNNXBMFYSA-N 1 2 239.322 2.488 20 30 BEEDLO C=C[C@H]([NH2+]CC1CCC(=C)CC1)C(=O)OC ZINC000724461919 710741458 /nfs/dbraw/zinc/74/14/58/710741458.db2.gz DRSNAHOKUYNAPO-LBPRGKRZSA-N 1 2 223.316 2.050 20 30 BEEDLO Cc1cc(C)nc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000723621870 711526827 /nfs/dbraw/zinc/52/68/27/711526827.db2.gz RWVUUBDQEAKRFY-CQSZACIVSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cc(C)nc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000723621870 711526829 /nfs/dbraw/zinc/52/68/29/711526829.db2.gz RWVUUBDQEAKRFY-CQSZACIVSA-N 1 2 229.327 2.434 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)OCc1ccccc1 ZINC000934469402 711587773 /nfs/dbraw/zinc/58/77/73/711587773.db2.gz UACBAMTYBAHLLY-CQSZACIVSA-N 1 2 245.322 2.380 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)OCc1ccccc1 ZINC000934469402 711587774 /nfs/dbraw/zinc/58/77/74/711587774.db2.gz UACBAMTYBAHLLY-CQSZACIVSA-N 1 2 245.322 2.380 20 30 BEEDLO CC[C@@H]([NH2+]CC(C)(C)O)c1cccc(C#N)c1O ZINC000925024267 711768875 /nfs/dbraw/zinc/76/88/75/711768875.db2.gz RXKCAFRMHKEBDN-GFCCVEGCSA-N 1 2 248.326 2.075 20 30 BEEDLO C#CCCCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931142503 712713634 /nfs/dbraw/zinc/71/36/34/712713634.db2.gz PBKYHILWNNQLTJ-LBPRGKRZSA-N 1 2 232.331 2.135 20 30 BEEDLO C#CCCCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931142503 712713635 /nfs/dbraw/zinc/71/36/35/712713635.db2.gz PBKYHILWNNQLTJ-LBPRGKRZSA-N 1 2 232.331 2.135 20 30 BEEDLO C=C(Br)C[N@@H+]1CCO[C@H](C)CC1 ZINC000720450646 712844040 /nfs/dbraw/zinc/84/40/40/712844040.db2.gz ZBDBMBKGCQLROF-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@H+]1CCO[C@H](C)CC1 ZINC000720450646 712844041 /nfs/dbraw/zinc/84/40/41/712844041.db2.gz ZBDBMBKGCQLROF-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CC(C)(C)C ZINC001266258813 956887211 /nfs/dbraw/zinc/88/72/11/956887211.db2.gz XVLDDTAVRINPDH-UHFFFAOYSA-N 1 2 246.782 2.223 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CC(C)(C)C ZINC001266258813 956887220 /nfs/dbraw/zinc/88/72/20/956887220.db2.gz XVLDDTAVRINPDH-UHFFFAOYSA-N 1 2 246.782 2.223 20 30 BEEDLO CCCC[N@H+](CCC#N)Cc1cn(C)nc1C ZINC001204579844 967072046 /nfs/dbraw/zinc/07/20/46/967072046.db2.gz OWPIOVDZKNZNKX-UHFFFAOYSA-N 1 2 234.347 2.244 20 30 BEEDLO CCCC[N@@H+](CCC#N)Cc1cn(C)nc1C ZINC001204579844 967072061 /nfs/dbraw/zinc/07/20/61/967072061.db2.gz OWPIOVDZKNZNKX-UHFFFAOYSA-N 1 2 234.347 2.244 20 30 BEEDLO C=C(C)CNc1cc(N2CCCC2)[nH+]cn1 ZINC001163374375 968031336 /nfs/dbraw/zinc/03/13/36/968031336.db2.gz SXLAVRNFZCMVCH-UHFFFAOYSA-N 1 2 218.304 2.065 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(F)c(F)cc1OC ZINC001143394898 1166076755 /nfs/dbraw/zinc/07/67/55/1166076755.db2.gz VBBYUKHVWCBBBD-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(F)c(F)cc1OC ZINC001143394898 1166076764 /nfs/dbraw/zinc/07/67/64/1166076764.db2.gz VBBYUKHVWCBBBD-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO O=C1C=C2C[N@@H+](CCC3CC3)CC[C@H]2S1 ZINC001208681485 969192595 /nfs/dbraw/zinc/19/25/95/969192595.db2.gz YHNNVQFRCUWMMM-LLVKDONJSA-N 1 2 223.341 2.061 20 30 BEEDLO O=C1C=C2C[N@H+](CCC3CC3)CC[C@H]2S1 ZINC001208681485 969192607 /nfs/dbraw/zinc/19/26/07/969192607.db2.gz YHNNVQFRCUWMMM-LLVKDONJSA-N 1 2 223.341 2.061 20 30 BEEDLO CC[C@H](C#N)[NH2+]C1CCC(F)(F)CC1 ZINC000306317004 1166292200 /nfs/dbraw/zinc/29/22/00/1166292200.db2.gz HQGBZNVCULDSSH-MRVPVSSYSA-N 1 2 202.248 2.456 20 30 BEEDLO C#C[C@@H](C)[NH2+]Cc1csc(C(C)C)n1 ZINC000393660409 1166339006 /nfs/dbraw/zinc/33/90/06/1166339006.db2.gz UOFVVHWRIZLRCL-SECBINFHSA-N 1 2 208.330 2.378 20 30 BEEDLO C=CCCCC[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001209200243 969386113 /nfs/dbraw/zinc/38/61/13/969386113.db2.gz FFZPYFVLOHFEGL-LLVKDONJSA-N 1 2 213.296 2.346 20 30 BEEDLO C=CCCCC[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001209200243 969386117 /nfs/dbraw/zinc/38/61/17/969386117.db2.gz FFZPYFVLOHFEGL-LLVKDONJSA-N 1 2 213.296 2.346 20 30 BEEDLO CO[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@H]2C#N)C1 ZINC000250486535 1166404400 /nfs/dbraw/zinc/40/44/00/1166404400.db2.gz ZHBXISSUZHHCQI-RWMBFGLXSA-N 1 2 222.332 2.322 20 30 BEEDLO CO[C@@H]1CCC[C@H]([N@H+]2CCCC[C@H]2C#N)C1 ZINC000250486535 1166404404 /nfs/dbraw/zinc/40/44/04/1166404404.db2.gz ZHBXISSUZHHCQI-RWMBFGLXSA-N 1 2 222.332 2.322 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)CC(CC)CC)C1 ZINC001267663730 1166604637 /nfs/dbraw/zinc/60/46/37/1166604637.db2.gz UGBPPQPDJQNAFE-UHFFFAOYSA-N 1 2 238.375 2.189 20 30 BEEDLO CCN(C)c1cc(NCC(C)(C)S)[nH+]cn1 ZINC001170302855 970693068 /nfs/dbraw/zinc/69/30/68/970693068.db2.gz WUDJJTNVMKVLAL-UHFFFAOYSA-N 1 2 240.376 2.053 20 30 BEEDLO CCN(C)c1cc(NCC(C)(C)S)nc[nH+]1 ZINC001170302855 970693078 /nfs/dbraw/zinc/69/30/78/970693078.db2.gz WUDJJTNVMKVLAL-UHFFFAOYSA-N 1 2 240.376 2.053 20 30 BEEDLO C=C[C@@H](COC)[NH2+]Cc1csc(C2CC2)n1 ZINC000381483205 1166935822 /nfs/dbraw/zinc/93/58/22/1166935822.db2.gz UEKKYWSPNBXWNX-JTQLQIEISA-N 1 2 238.356 2.311 20 30 BEEDLO Cc1ccc(C[NH+]2CCSCC2)c(C#N)c1 ZINC001232963250 978358542 /nfs/dbraw/zinc/35/85/42/978358542.db2.gz CQCBCEMNEDZPMK-UHFFFAOYSA-N 1 2 232.352 2.416 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(F)c(OC)cc1F ZINC001233343718 978566324 /nfs/dbraw/zinc/56/63/24/978566324.db2.gz XWVCOLBRHBIGRI-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(F)c(OC)cc1F ZINC001233343718 978566327 /nfs/dbraw/zinc/56/63/27/978566327.db2.gz XWVCOLBRHBIGRI-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO CCCN(CCC#N)Cc1c[nH+]cn1CC ZINC001237589462 979949073 /nfs/dbraw/zinc/94/90/73/979949073.db2.gz DGHCVOBCLQOACE-UHFFFAOYSA-N 1 2 220.320 2.029 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC001237622685 979977625 /nfs/dbraw/zinc/97/76/25/979977625.db2.gz WTEBOXLSCRKHIU-UHFFFAOYSA-N 1 2 227.666 2.250 20 30 BEEDLO CO[C@@H]1CCC[C@H]([NH2+][C@H](C#N)CC(C)C)C1 ZINC001172923133 1168684251 /nfs/dbraw/zinc/68/42/51/1168684251.db2.gz LSUZFYRTTNJJPL-RWMBFGLXSA-N 1 2 224.348 2.472 20 30 BEEDLO Cc1c[nH]c(Nc2c(C#N)cccc2[N+](=O)[O-])[nH+]1 ZINC001185736078 1168756703 /nfs/dbraw/zinc/75/67/03/1168756703.db2.gz NUANEUYHZCPPJX-UHFFFAOYSA-N 1 2 243.226 2.242 20 30 BEEDLO C#CC[N@@H+](CCCCC)CC(=O)OC(C)(C)C ZINC001195876719 982368756 /nfs/dbraw/zinc/36/87/56/982368756.db2.gz NCLRTSPVOFMNOE-UHFFFAOYSA-N 1 2 239.359 2.454 20 30 BEEDLO C#CC[N@H+](CCCCC)CC(=O)OC(C)(C)C ZINC001195876719 982368770 /nfs/dbraw/zinc/36/87/70/982368770.db2.gz NCLRTSPVOFMNOE-UHFFFAOYSA-N 1 2 239.359 2.454 20 30 BEEDLO CCCC[C@@H](CC)CN1CC[NH2+]C[C@H]1C#N ZINC000252562052 1168972141 /nfs/dbraw/zinc/97/21/41/1168972141.db2.gz WSHPJNQPRRGNPL-CHWSQXEVSA-N 1 2 223.364 2.000 20 30 BEEDLO COc1ccc(-c2ccc[nH+]c2N)c(CC#N)c1 ZINC001243476431 970771598 /nfs/dbraw/zinc/77/15/98/970771598.db2.gz RZKQGFDQAXKQMN-UHFFFAOYSA-N 1 2 239.278 2.405 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257074668 971088112 /nfs/dbraw/zinc/08/81/12/971088112.db2.gz SDVSPWJZVDEKON-RNJOBUHISA-N 1 2 224.348 2.470 20 30 BEEDLO C#Cc1cc(Nc2cccc(Cl)c2N)cc[nH+]1 ZINC001216524107 971114809 /nfs/dbraw/zinc/11/48/09/971114809.db2.gz ISVNLMVLNQFCMC-UHFFFAOYSA-N 1 2 243.697 2.464 20 30 BEEDLO C=CCCCCCN1CC[NH2+]CC(F)(F)C1 ZINC001210814348 1169529899 /nfs/dbraw/zinc/52/98/99/1169529899.db2.gz BYNSTZWTUZQUDU-UHFFFAOYSA-N 1 2 232.318 2.273 20 30 BEEDLO C=C[C@H]1C[C@@]1([NH2+]C(CC)CC)C(=O)OCC ZINC001257290902 971176245 /nfs/dbraw/zinc/17/62/45/971176245.db2.gz MWQBHNKSFQZDIT-GWCFXTLKSA-N 1 2 225.332 2.272 20 30 BEEDLO C#Cc1cc(Nc2ccc(CO)cc2C)cc[nH+]1 ZINC001214657663 1169536492 /nfs/dbraw/zinc/53/64/92/1169536492.db2.gz QRFVTVLLAZISQN-UHFFFAOYSA-N 1 2 238.290 2.029 20 30 BEEDLO N#Cc1cccc2c1C[N@H+](CCCF)C2 ZINC000405061857 971193553 /nfs/dbraw/zinc/19/35/53/971193553.db2.gz RZMRDSLTBJVSRT-UHFFFAOYSA-N 1 2 204.248 2.233 20 30 BEEDLO N#Cc1cccc2c1C[N@@H+](CCCF)C2 ZINC000405061857 971193559 /nfs/dbraw/zinc/19/35/59/971193559.db2.gz RZMRDSLTBJVSRT-UHFFFAOYSA-N 1 2 204.248 2.233 20 30 BEEDLO C#C[C@](C)(CC)Nc1cc(CC#N)cc[nH+]1 ZINC001158743303 971424488 /nfs/dbraw/zinc/42/44/88/971424488.db2.gz TWSMXCZFTVWSPJ-CYBMUJFWSA-N 1 2 213.284 2.361 20 30 BEEDLO CC[C@](C)(C#N)[NH2+]C1CCC(C(=O)OC)CC1 ZINC001257855853 971503778 /nfs/dbraw/zinc/50/37/78/971503778.db2.gz JQJGHDUBMRZQDY-GCZXYKMCSA-N 1 2 238.331 2.000 20 30 BEEDLO CC(C)[NH+]1CC(Oc2cccc(F)c2C#N)C1 ZINC001225976083 1169598205 /nfs/dbraw/zinc/59/82/05/1169598205.db2.gz WQLVEHBQVDYZNI-UHFFFAOYSA-N 1 2 234.274 2.169 20 30 BEEDLO CNc1cc(-c2ccc3ncc(C#N)n3c2)cc[nH+]1 ZINC001244976012 971576487 /nfs/dbraw/zinc/57/64/87/971576487.db2.gz MWZHWFFVJWTSQN-UHFFFAOYSA-N 1 2 249.277 2.310 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc2c(s1)CCC2 ZINC000775183016 971690493 /nfs/dbraw/zinc/69/04/93/971690493.db2.gz FVBMOWNRGJEJRB-VIFPVBQESA-N 1 2 220.341 2.085 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2c(s1)CCC2 ZINC000775183016 971690500 /nfs/dbraw/zinc/69/05/00/971690500.db2.gz FVBMOWNRGJEJRB-VIFPVBQESA-N 1 2 220.341 2.085 20 30 BEEDLO Cc1cc(-c2[nH]ccc3ncc(C#N)c2-3)c[nH+]c1N ZINC001245538831 971849558 /nfs/dbraw/zinc/84/95/58/971849558.db2.gz QJFYISBHQJZKGF-UHFFFAOYSA-N 1 2 249.277 2.387 20 30 BEEDLO C[Si](C)(C)c1ccc[nH+]c1NCCCS ZINC001171000660 972225607 /nfs/dbraw/zinc/22/56/07/972225607.db2.gz AWONMMPJCCPKOH-UHFFFAOYSA-N 1 2 240.448 2.359 20 30 BEEDLO Cc1cc(C)c(Nc2oncc2C#N)c[nH+]1 ZINC001213505435 957001349 /nfs/dbraw/zinc/00/13/49/957001349.db2.gz FVNARZNAULGUFT-UHFFFAOYSA-N 1 2 214.228 2.302 20 30 BEEDLO C[C@H](C[N@@H+]1CCC[C@@H](C#N)C1)C(F)(F)F ZINC001208906091 957235499 /nfs/dbraw/zinc/23/54/99/957235499.db2.gz SQKUPIXILOVUBF-BDAKNGLRSA-N 1 2 220.238 2.420 20 30 BEEDLO C[C@H](C[N@H+]1CCC[C@@H](C#N)C1)C(F)(F)F ZINC001208906091 957235515 /nfs/dbraw/zinc/23/55/15/957235515.db2.gz SQKUPIXILOVUBF-BDAKNGLRSA-N 1 2 220.238 2.420 20 30 BEEDLO C#Cc1cc(Nc2cc(O)ccc2F)cc[nH+]1 ZINC001210799306 957902545 /nfs/dbraw/zinc/90/25/45/957902545.db2.gz WFIKTSIIIDJPDQ-UHFFFAOYSA-N 1 2 228.226 2.073 20 30 BEEDLO C#C[C@@H](CCCC)OCCn1cc[nH+]c1 ZINC001222139114 972387496 /nfs/dbraw/zinc/38/74/96/972387496.db2.gz NUVSXKAVRAZBQT-LBPRGKRZSA-N 1 2 206.289 2.092 20 30 BEEDLO Cc1cccc(NCc2cc[nH+]c(N)c2)c1C#N ZINC001167617213 959083772 /nfs/dbraw/zinc/08/37/72/959083772.db2.gz JLCGZPBMYAIDKQ-UHFFFAOYSA-N 1 2 238.294 2.456 20 30 BEEDLO C=C(C)CCC(=O)NCC[N@@H+](C)CC(=C)Cl ZINC001267197614 959154342 /nfs/dbraw/zinc/15/43/42/959154342.db2.gz QABNWNYCIIKAGD-UHFFFAOYSA-N 1 2 244.766 2.143 20 30 BEEDLO C=C(C)CCC(=O)NCC[N@H+](C)CC(=C)Cl ZINC001267197614 959154351 /nfs/dbraw/zinc/15/43/51/959154351.db2.gz QABNWNYCIIKAGD-UHFFFAOYSA-N 1 2 244.766 2.143 20 30 BEEDLO Cc1c[nH+]c(C)c(Nc2ccnc(C#N)c2)c1 ZINC000404491114 959293909 /nfs/dbraw/zinc/29/39/09/959293909.db2.gz QAGPSKHPZSRLDN-UHFFFAOYSA-N 1 2 224.267 2.131 20 30 BEEDLO C=CCn1cc(-c2c[nH+]c3c(c2)CCCN3)cn1 ZINC001222409266 972467133 /nfs/dbraw/zinc/46/71/33/972467133.db2.gz RDYORCCAVFDAJU-UHFFFAOYSA-N 1 2 240.310 2.132 20 30 BEEDLO CCCC[N@H+](CC#N)C[C@H]1CCCOC1 ZINC001207470892 960281653 /nfs/dbraw/zinc/28/16/53/960281653.db2.gz AAWGAQMWBSPXNP-GFCCVEGCSA-N 1 2 210.321 2.039 20 30 BEEDLO CCCC[N@@H+](CC#N)C[C@H]1CCCOC1 ZINC001207470892 960281663 /nfs/dbraw/zinc/28/16/63/960281663.db2.gz AAWGAQMWBSPXNP-GFCCVEGCSA-N 1 2 210.321 2.039 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@H](C#N)C2)cc(C)c1O ZINC001140659314 960478583 /nfs/dbraw/zinc/47/85/83/960478583.db2.gz ZYBMIJGJNHEAGR-GFCCVEGCSA-N 1 2 230.311 2.355 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@H](C#N)C2)cc(C)c1O ZINC001140659314 960478593 /nfs/dbraw/zinc/47/85/93/960478593.db2.gz ZYBMIJGJNHEAGR-GFCCVEGCSA-N 1 2 230.311 2.355 20 30 BEEDLO Cc1c[nH]c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1C ZINC001140864469 960647271 /nfs/dbraw/zinc/64/72/71/960647271.db2.gz SXLYQNOOMDRUJS-ZDUSSCGKSA-N 1 2 217.316 2.367 20 30 BEEDLO Cc1c[nH]c(C[N@H+]2CC[C@@](C)(C#N)C2)c1C ZINC001140864469 960647278 /nfs/dbraw/zinc/64/72/78/960647278.db2.gz SXLYQNOOMDRUJS-ZDUSSCGKSA-N 1 2 217.316 2.367 20 30 BEEDLO CCCOCCNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001167872473 961381554 /nfs/dbraw/zinc/38/15/54/961381554.db2.gz JGTUNCCCSIZAIG-UHFFFAOYSA-N 1 2 245.326 2.475 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142696485 961637606 /nfs/dbraw/zinc/63/76/06/961637606.db2.gz NHMRBVAPSXJMMF-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142696485 961637635 /nfs/dbraw/zinc/63/76/35/961637635.db2.gz NHMRBVAPSXJMMF-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C[N@H+](CCC#N)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142911749 961827114 /nfs/dbraw/zinc/82/71/14/961827114.db2.gz IENPMVBCFPPBKW-UHFFFAOYSA-N 1 2 238.294 2.385 20 30 BEEDLO C[N@@H+](CCC#N)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142911749 961827127 /nfs/dbraw/zinc/82/71/27/961827127.db2.gz IENPMVBCFPPBKW-UHFFFAOYSA-N 1 2 238.294 2.385 20 30 BEEDLO CCc1coc(CNc2cc(CC#N)cc[nH+]2)n1 ZINC001154778909 962845770 /nfs/dbraw/zinc/84/57/70/962845770.db2.gz CGZFDDNQDFHBOB-UHFFFAOYSA-N 1 2 242.282 2.310 20 30 BEEDLO N#CCc1cc[nH+]c(NC2CC(F)C2)c1 ZINC001154834560 962865159 /nfs/dbraw/zinc/86/51/59/962865159.db2.gz WATHMQLTYGLBQX-UHFFFAOYSA-N 1 2 205.236 2.060 20 30 BEEDLO Cc1nc(C#N)cnc1NC(=[NH2+])C(C)(C)C ZINC001155179708 963001625 /nfs/dbraw/zinc/00/16/25/963001625.db2.gz CRKOUPSCCZRJSC-UHFFFAOYSA-N 1 2 217.276 2.092 20 30 BEEDLO C=Cc1ccc(NCCCNC(=O)C(=C)C)[nH+]c1 ZINC001156820676 963469184 /nfs/dbraw/zinc/46/91/84/963469184.db2.gz RYXCXNWSJCSLFD-UHFFFAOYSA-N 1 2 245.326 2.219 20 30 BEEDLO CSc1nc(C[NH+]2CC(C)C2)ccc1C#N ZINC001141929565 963482181 /nfs/dbraw/zinc/48/21/81/963482181.db2.gz XIJYQBKMFBBMLI-UHFFFAOYSA-N 1 2 233.340 2.127 20 30 BEEDLO C[C@@H](Nc1cc(CC#N)cc[nH+]1)c1cnccn1 ZINC001158596911 963893239 /nfs/dbraw/zinc/89/32/39/963893239.db2.gz NUVCFBAMVNLYLF-SNVBAGLBSA-N 1 2 239.282 2.111 20 30 BEEDLO C#Cc1cc(Nc2ccc(O)c(F)c2F)cc[nH+]1 ZINC001211997894 964147578 /nfs/dbraw/zinc/14/75/78/964147578.db2.gz RGCBNEFGLMXFIN-UHFFFAOYSA-N 1 2 246.216 2.212 20 30 BEEDLO C#CCCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000179289485 964241782 /nfs/dbraw/zinc/24/17/82/964241782.db2.gz YMXMSWSXMOJEJG-UHFFFAOYSA-N 1 2 230.315 2.124 20 30 BEEDLO C#CCCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000179289485 964241792 /nfs/dbraw/zinc/24/17/92/964241792.db2.gz YMXMSWSXMOJEJG-UHFFFAOYSA-N 1 2 230.315 2.124 20 30 BEEDLO C=CC[N@@H+](CCC=C(C)C)CC(=O)OCC ZINC000697789399 964522558 /nfs/dbraw/zinc/52/25/58/964522558.db2.gz JFPAMNXWBXBJFN-UHFFFAOYSA-N 1 2 225.332 2.394 20 30 BEEDLO C=CC[N@H+](CCC=C(C)C)CC(=O)OCC ZINC000697789399 964522566 /nfs/dbraw/zinc/52/25/66/964522566.db2.gz JFPAMNXWBXBJFN-UHFFFAOYSA-N 1 2 225.332 2.394 20 30 BEEDLO N#CC1(c2cc[nH+]c(NC3CSC3)c2)CC1 ZINC001168362549 964637196 /nfs/dbraw/zinc/63/71/96/964637196.db2.gz ZVUIJNBYLJRFKS-UHFFFAOYSA-N 1 2 231.324 2.164 20 30 BEEDLO O/N=C/c1cccc(NCCCn2cc[nH+]c2)c1 ZINC001161688311 964687232 /nfs/dbraw/zinc/68/72/32/964687232.db2.gz OMWDGQGFDPQLNM-MHWRWJLKSA-N 1 2 244.298 2.193 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(C)c(F)c(F)c1 ZINC001143610948 964745072 /nfs/dbraw/zinc/74/50/72/964745072.db2.gz LJUIBBWBFANWGL-UHFFFAOYSA-N 1 2 233.261 2.342 20 30 BEEDLO Cc1cc(C[NH2+]CCC#N)cc(Cl)n1 ZINC000379617584 964783322 /nfs/dbraw/zinc/78/33/22/964783322.db2.gz ANJKRIQWWKUTQC-UHFFFAOYSA-N 1 2 209.680 2.047 20 30 BEEDLO Cc1cccnc1CNc1[nH+]cccc1CC#N ZINC001161876538 964805890 /nfs/dbraw/zinc/80/58/90/964805890.db2.gz HALDWXWFWXBCGI-UHFFFAOYSA-N 1 2 238.294 2.463 20 30 BEEDLO N#CCc1cc[nH+]c(N[C@@H]2C[C@]23CCCOC3)c1 ZINC001162374885 964949233 /nfs/dbraw/zinc/94/92/33/964949233.db2.gz FQWZXTRXEGHPGZ-OCCSQVGLSA-N 1 2 243.310 2.129 20 30 BEEDLO C#CCCCNc1ccc([C@H](C)C(=O)OC)c[nH+]1 ZINC001162445532 964979591 /nfs/dbraw/zinc/97/95/91/964979591.db2.gz KCNPOCCWYWJWAQ-NSHDSACASA-N 1 2 246.310 2.183 20 30 BEEDLO COC1CC(CNc2[nH+]cc(C)cc2/C=N/O)C1 ZINC001162991409 965218276 /nfs/dbraw/zinc/21/82/76/965218276.db2.gz HLPCFZFCZSAFMZ-LZYBPNLTSA-N 1 2 249.314 2.035 20 30 BEEDLO C=C(C)CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001163375546 965379238 /nfs/dbraw/zinc/37/92/38/965379238.db2.gz COCDHTASQBZOBA-UHFFFAOYSA-N 1 2 228.299 2.314 20 30 BEEDLO CCN(C)c1cc(NCCCCC#N)[nH+]cn1 ZINC001168427634 965463170 /nfs/dbraw/zinc/46/31/70/965463170.db2.gz QSOOGKFDDCVTPN-UHFFFAOYSA-N 1 2 233.319 2.038 20 30 BEEDLO CCN(C)c1cc(NCCCCC#N)nc[nH+]1 ZINC001168427634 965463179 /nfs/dbraw/zinc/46/31/79/965463179.db2.gz QSOOGKFDDCVTPN-UHFFFAOYSA-N 1 2 233.319 2.038 20 30 BEEDLO CC1(C)C[C@H](CNc2[nH+]cccc2CC#N)O1 ZINC001168450789 965747297 /nfs/dbraw/zinc/74/72/97/965747297.db2.gz UMRVFORERFZORP-LLVKDONJSA-N 1 2 231.299 2.127 20 30 BEEDLO Cc1ccc(CC#N)c(N2CCC(=O)C[C@@H]2C)[nH+]1 ZINC001166936250 966451300 /nfs/dbraw/zinc/45/13/00/966451300.db2.gz JADWPVXYQJARDT-NSHDSACASA-N 1 2 243.310 2.014 20 30 BEEDLO CNc1ccc(Nc2cnc(C#N)c(C)c2)c[nH+]1 ZINC001203453001 966653809 /nfs/dbraw/zinc/65/38/09/966653809.db2.gz WDPZZSHDBUHOOI-UHFFFAOYSA-N 1 2 239.282 2.442 20 30 BEEDLO CNc1ccc(Nc2ccc(O)cc2C#N)c[nH+]1 ZINC001203460531 966657314 /nfs/dbraw/zinc/65/73/14/966657314.db2.gz WTTJIGGOBCWDLG-UHFFFAOYSA-N 1 2 240.266 2.444 20 30 BEEDLO CCCCN(CC#N)Cc1ccc2[nH+]ccn2c1 ZINC001143028227 966963585 /nfs/dbraw/zinc/96/35/85/966963585.db2.gz XYCGUXNGTFNCHR-UHFFFAOYSA-N 1 2 242.326 2.460 20 30 BEEDLO C=CCOc1ccc(C[N@@H+]2CCC23COC3)cc1 ZINC001204299973 966966808 /nfs/dbraw/zinc/96/68/08/966966808.db2.gz GZPDHUCTKLKLMD-UHFFFAOYSA-N 1 2 245.322 2.226 20 30 BEEDLO C=CCOc1ccc(C[N@H+]2CCC23COC3)cc1 ZINC001204299973 966966815 /nfs/dbraw/zinc/96/68/15/966966815.db2.gz GZPDHUCTKLKLMD-UHFFFAOYSA-N 1 2 245.322 2.226 20 30 BEEDLO CCCC[N@H+](CCC#N)Cc1cnn(C)c1C ZINC001204569953 967054501 /nfs/dbraw/zinc/05/45/01/967054501.db2.gz DQIOCNJGQHQJLF-UHFFFAOYSA-N 1 2 234.347 2.244 20 30 BEEDLO CCCC[N@@H+](CCC#N)Cc1cnn(C)c1C ZINC001204569953 967054516 /nfs/dbraw/zinc/05/45/16/967054516.db2.gz DQIOCNJGQHQJLF-UHFFFAOYSA-N 1 2 234.347 2.244 20 30 BEEDLO N#CC1(C[NH2+][C@@H]2CCCc3cn[nH]c32)CCCC1 ZINC000903108631 967070948 /nfs/dbraw/zinc/07/09/48/967070948.db2.gz FSSCSBJMGZUPGW-GFCCVEGCSA-N 1 2 244.342 2.461 20 30 BEEDLO N#CC1(C[NH2+][C@@H]2CCCc3c[nH]nc32)CCCC1 ZINC000903108631 967070958 /nfs/dbraw/zinc/07/09/58/967070958.db2.gz FSSCSBJMGZUPGW-GFCCVEGCSA-N 1 2 244.342 2.461 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cccc2c1OCC2 ZINC000693091568 967100457 /nfs/dbraw/zinc/10/04/57/967100457.db2.gz MJVWYOVXWOKUFW-CYBMUJFWSA-N 1 2 230.311 2.403 20 30 BEEDLO C#Cc1cc(Nc2cc(C)ccc2C#N)cc[nH+]1 ZINC001249895433 967133592 /nfs/dbraw/zinc/13/35/92/967133592.db2.gz ZAOBJQVOCOADHA-UHFFFAOYSA-N 1 2 233.274 2.409 20 30 BEEDLO CCCn1c[nH+]cc1CN1CCC[C@@](C)(C#N)C1 ZINC001204945851 967250461 /nfs/dbraw/zinc/25/04/61/967250461.db2.gz IFBNAPHMZICWJJ-AWEZNQCLSA-N 1 2 246.358 2.419 20 30 BEEDLO Cc1ccc(C#N)cc1CCn1cc[nH+]c1 ZINC001250318964 967694194 /nfs/dbraw/zinc/69/41/94/967694194.db2.gz NYFSLZYQWDCOBR-UHFFFAOYSA-N 1 2 211.268 2.306 20 30 BEEDLO Cc1c(C#N)cccc1CCn1cc[nH+]c1 ZINC001250320295 967697733 /nfs/dbraw/zinc/69/77/33/967697733.db2.gz KGJMKVBVSPVSHV-UHFFFAOYSA-N 1 2 211.268 2.306 20 30 BEEDLO C#CCCCNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001162445176 967838193 /nfs/dbraw/zinc/83/81/93/967838193.db2.gz ABEURUJDMRBCEG-UHFFFAOYSA-N 1 2 225.295 2.462 20 30 BEEDLO C#Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205831071 967842673 /nfs/dbraw/zinc/84/26/73/967842673.db2.gz WEZHZHNVCQESLI-CJNGLKHVSA-N 1 2 242.366 2.227 20 30 BEEDLO C=C(C)CNc1cc(N2CCCC2)nc[nH+]1 ZINC001163374375 968031322 /nfs/dbraw/zinc/03/13/22/968031322.db2.gz SXLAVRNFZCMVCH-UHFFFAOYSA-N 1 2 218.304 2.065 20 30 BEEDLO C#CCCc1[nH+]c2cc(OC)ccc2n1C ZINC001250605913 968152938 /nfs/dbraw/zinc/15/29/38/968152938.db2.gz YGANGFJMZWZSFI-UHFFFAOYSA-N 1 2 214.268 2.148 20 30 BEEDLO Cc1cn2c(cccc2Nc2ccnc(C#N)c2)[nH+]1 ZINC001206584644 968398384 /nfs/dbraw/zinc/39/83/84/968398384.db2.gz NSBZFNBIAHSMPB-UHFFFAOYSA-N 1 2 249.277 2.075 20 30 BEEDLO Cc1c[nH+]c(Nc2ccnc(C#N)c2)c(C)c1 ZINC001206594758 968406891 /nfs/dbraw/zinc/40/68/91/968406891.db2.gz RSQIMZDVMBQXHB-UHFFFAOYSA-N 1 2 224.267 2.131 20 30 BEEDLO C=C[C@H](COC)[NH2+][C@H]1CCCc2oc(C)nc21 ZINC001119702166 968458189 /nfs/dbraw/zinc/45/81/89/968458189.db2.gz YZDIKKVBHTXLGS-MNOVXSKESA-N 1 2 236.315 2.151 20 30 BEEDLO O=C1c2ccc(F)cc2C/C1=C\c1[nH]cc[nH+]1 ZINC000734305039 968619735 /nfs/dbraw/zinc/61/97/35/968619735.db2.gz GELJOZZCSSEIBX-VQHVLOKHSA-N 1 2 228.226 2.371 20 30 BEEDLO C=C(C)c1[nH+]cnc2[nH]cc(C(=O)OCC)c21 ZINC001240832120 968729784 /nfs/dbraw/zinc/72/97/84/968729784.db2.gz CKGUDHFOCFXRMF-UHFFFAOYSA-N 1 2 231.255 2.119 20 30 BEEDLO C=C(C)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240834487 968744708 /nfs/dbraw/zinc/74/47/08/968744708.db2.gz ALQDLJKBOKLKGF-UHFFFAOYSA-N 1 2 247.338 2.431 20 30 BEEDLO C=C(C)CNc1cc(C)[nH+]c(SC)n1 ZINC001155655355 969041817 /nfs/dbraw/zinc/04/18/17/969041817.db2.gz BQVWOEPXKZQAAZ-UHFFFAOYSA-N 1 2 209.318 2.495 20 30 BEEDLO N#CCc1cc(-c2[nH]cc[nH+]2)ccc1F ZINC001242018753 969169900 /nfs/dbraw/zinc/16/99/00/969169900.db2.gz VASDALOOSTWFEI-UHFFFAOYSA-N 1 2 201.204 2.282 20 30 BEEDLO C=C[C@@H](O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001253592770 969283066 /nfs/dbraw/zinc/28/30/66/969283066.db2.gz XHFKZVIVZLHANM-GFCCVEGCSA-N 1 2 229.283 2.036 20 30 BEEDLO N#Cc1cncc(Nc2cccc3[nH+]ccn32)c1 ZINC001210082883 969789939 /nfs/dbraw/zinc/78/99/39/969789939.db2.gz FPENRODFTUSXLK-UHFFFAOYSA-N 1 2 235.250 2.345 20 30 BEEDLO C#C[C@@](C)(CC)Nc1cc(N2CCCC2)nc[nH+]1 ZINC001169692145 969812831 /nfs/dbraw/zinc/81/28/31/969812831.db2.gz KVSROMQOLPRYGD-AWEZNQCLSA-N 1 2 244.342 2.291 20 30 BEEDLO C#C[C@@](C)(CC)Nc1cc(N2CCCC2)[nH+]cn1 ZINC001169692145 969812834 /nfs/dbraw/zinc/81/28/34/969812834.db2.gz KVSROMQOLPRYGD-AWEZNQCLSA-N 1 2 244.342 2.291 20 30 BEEDLO C=C[C@@H](CO)Nc1cc(CCC)[nH+]c(CCC)n1 ZINC001169779579 969851761 /nfs/dbraw/zinc/85/17/61/969851761.db2.gz MLWDOMUXKPJALE-NSHDSACASA-N 1 2 249.358 2.340 20 30 BEEDLO Cn1c[nH+]c(NC2=CC(=O)CC(C)(C)C2)c1 ZINC001169951304 969890141 /nfs/dbraw/zinc/89/01/41/969890141.db2.gz CZHNARDYHLKYHO-UHFFFAOYSA-N 1 2 219.288 2.105 20 30 BEEDLO CC[C@H](CC#N)[NH2+]C1(c2cccnc2)CC1 ZINC001255157902 969965062 /nfs/dbraw/zinc/96/50/62/969965062.db2.gz YNMIMADAFGSFSE-GFCCVEGCSA-N 1 2 215.300 2.353 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@@H](CO)c1ccc(OC)cc1 ZINC001255156332 969966682 /nfs/dbraw/zinc/96/66/82/969966682.db2.gz ZXYPANOAMBJBDV-OCCSQVGLSA-N 1 2 248.326 2.010 20 30 BEEDLO CC[C@@H](CC#N)[N@H+]1CCOC[C@H]1C(C)C ZINC001255173331 969986137 /nfs/dbraw/zinc/98/61/37/969986137.db2.gz KLSOIUTVDWJHOW-RYUDHWBXSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[C@@H](CC#N)[N@@H+]1CCOC[C@H]1C(C)C ZINC001255173331 969986134 /nfs/dbraw/zinc/98/61/34/969986134.db2.gz KLSOIUTVDWJHOW-RYUDHWBXSA-N 1 2 210.321 2.035 20 30 BEEDLO CC1=CC(=O)C[NH+]=C1NC1=CC(=O)C[C@H](C)C1 ZINC001210767065 970019122 /nfs/dbraw/zinc/01/91/22/970019122.db2.gz SYGGCQOOEQHVBK-MRVPVSSYSA-N 1 2 232.283 2.390 20 30 BEEDLO CCn1c[nH+]c(NC2=CC(=O)C[C@H](C)C2)c1 ZINC001210771990 970023683 /nfs/dbraw/zinc/02/36/83/970023683.db2.gz UUILGBVEKBJUQN-SECBINFHSA-N 1 2 219.288 2.198 20 30 BEEDLO COC(=O)[C@H](CS)[NH2+]C1CCC(C)(C)CC1 ZINC001255297483 970063584 /nfs/dbraw/zinc/06/35/84/970063584.db2.gz PREDUVRHZMGLMA-JTQLQIEISA-N 1 2 245.388 2.016 20 30 BEEDLO C#Cc1cc(Nc2cccc(CO)c2C)cc[nH+]1 ZINC001211161239 970162042 /nfs/dbraw/zinc/16/20/42/970162042.db2.gz PQHCPDMFUYVBKK-UHFFFAOYSA-N 1 2 238.290 2.029 20 30 BEEDLO COC1CCC([NH2+][C@H](C#N)CC(C)C)CC1 ZINC001255451191 970182966 /nfs/dbraw/zinc/18/29/66/970182966.db2.gz JUOGHMXMNBABAC-CPCZMJQVSA-N 1 2 224.348 2.472 20 30 BEEDLO C#Cc1cc(Nc2c[nH+]c(C)cc2C)ccn1 ZINC001213503506 970331221 /nfs/dbraw/zinc/33/12/21/970331221.db2.gz JXCACXCSUJYMSX-UHFFFAOYSA-N 1 2 223.279 2.240 20 30 BEEDLO Cc1cc(C)c(Nc2c(C#N)ncn2C)c[nH+]1 ZINC001213511076 970336721 /nfs/dbraw/zinc/33/67/21/970336721.db2.gz VEABFKDFEFKCND-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO C=CCN(c1cc(N(C)C)[nH+]cn1)C(C)(C)C ZINC001157583382 970471984 /nfs/dbraw/zinc/47/19/84/970471984.db2.gz SFMJZLHQVDTLHJ-UHFFFAOYSA-N 1 2 234.347 2.334 20 30 BEEDLO C=CCN(c1cc(N(C)C)nc[nH+]1)C(C)(C)C ZINC001157583382 970471994 /nfs/dbraw/zinc/47/19/94/970471994.db2.gz SFMJZLHQVDTLHJ-UHFFFAOYSA-N 1 2 234.347 2.334 20 30 BEEDLO C#Cc1cc(Nc2cc(C#N)ccc2F)cc[nH+]1 ZINC001214590711 970514704 /nfs/dbraw/zinc/51/47/04/970514704.db2.gz UBMVFQXKDORVIH-UHFFFAOYSA-N 1 2 237.237 2.239 20 30 BEEDLO CC(C)(S)CNc1ccc(CC#N)c[nH+]1 ZINC001170301986 970690704 /nfs/dbraw/zinc/69/07/04/970690704.db2.gz NEBACRISKCOOCV-UHFFFAOYSA-N 1 2 221.329 2.268 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H](C)CCC(C)C ZINC001256350765 970746501 /nfs/dbraw/zinc/74/65/01/970746501.db2.gz AKSDNGFKJJYDQK-QWRGUYRKSA-N 1 2 247.404 2.262 20 30 BEEDLO Cc1c(O)cccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001144118706 972587987 /nfs/dbraw/zinc/58/79/87/972587987.db2.gz GRSVECYPTYAOIZ-LBPRGKRZSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1c(O)cccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001144118706 972587999 /nfs/dbraw/zinc/58/79/99/972587999.db2.gz GRSVECYPTYAOIZ-LBPRGKRZSA-N 1 2 230.311 2.436 20 30 BEEDLO C#C[C@@H](OCc1c[nH+]cn1C)c1ccccc1 ZINC001222595243 972594856 /nfs/dbraw/zinc/59/48/56/972594856.db2.gz UVEWQPTVOFVHPT-CQSZACIVSA-N 1 2 226.279 2.311 20 30 BEEDLO CN(C)c1ncc(C=[NH+]OC2CCC2)s1 ZINC001327610386 972669052 /nfs/dbraw/zinc/66/90/52/972669052.db2.gz PUIBUEPAPDJLOD-UHFFFAOYSA-N 1 2 225.317 2.112 20 30 BEEDLO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC1(F)F ZINC001171175441 972802662 /nfs/dbraw/zinc/80/26/62/972802662.db2.gz LCOOLPMMMDKUGD-SKDRFNHKSA-N 1 2 236.265 2.486 20 30 BEEDLO C#Cc1ccc(C[N@H+]2CCC(=O)C[C@@H]2C)cc1 ZINC001144568135 972874661 /nfs/dbraw/zinc/87/46/61/972874661.db2.gz MJVFFXXOUMKJFS-LBPRGKRZSA-N 1 2 227.307 2.221 20 30 BEEDLO C#Cc1ccc(C[N@@H+]2CCC(=O)C[C@@H]2C)cc1 ZINC001144568135 972874665 /nfs/dbraw/zinc/87/46/65/972874665.db2.gz MJVFFXXOUMKJFS-LBPRGKRZSA-N 1 2 227.307 2.221 20 30 BEEDLO C[C@@H]1CC[C@H]([NH2+]C2(C#N)CCOCC2)C[C@H]1C ZINC001172369399 974650859 /nfs/dbraw/zinc/65/08/59/974650859.db2.gz LWVUDKCDWMEQJP-UPJWGTAASA-N 1 2 236.359 2.473 20 30 BEEDLO C#CC[N@H+](CC1CC1)[C@H](C)c1nc(CC)no1 ZINC001331329775 974686019 /nfs/dbraw/zinc/68/60/19/974686019.db2.gz KPMXOUGVIAWCRE-SNVBAGLBSA-N 1 2 233.315 2.038 20 30 BEEDLO C#CC[N@@H+](CC1CC1)[C@H](C)c1nc(CC)no1 ZINC001331329775 974686021 /nfs/dbraw/zinc/68/60/21/974686021.db2.gz KPMXOUGVIAWCRE-SNVBAGLBSA-N 1 2 233.315 2.038 20 30 BEEDLO C[N@H+](CC#N)C1CCC2(CCOCC2)CC1 ZINC001173048887 975017233 /nfs/dbraw/zinc/01/72/33/975017233.db2.gz YFAXAPJQTRGQDS-UHFFFAOYSA-N 1 2 222.332 2.181 20 30 BEEDLO C[N@@H+](CC#N)C1CCC2(CCOCC2)CC1 ZINC001173048887 975017236 /nfs/dbraw/zinc/01/72/36/975017236.db2.gz YFAXAPJQTRGQDS-UHFFFAOYSA-N 1 2 222.332 2.181 20 30 BEEDLO CCCOC1CCC([N@H+](C)CC#N)CC1 ZINC001173099387 975042508 /nfs/dbraw/zinc/04/25/08/975042508.db2.gz BITRIAQZKPHHBF-UHFFFAOYSA-N 1 2 210.321 2.180 20 30 BEEDLO CCCOC1CCC([N@@H+](C)CC#N)CC1 ZINC001173099387 975042512 /nfs/dbraw/zinc/04/25/12/975042512.db2.gz BITRIAQZKPHHBF-UHFFFAOYSA-N 1 2 210.321 2.180 20 30 BEEDLO CC[C@@H]1CC[C@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001173269126 975136639 /nfs/dbraw/zinc/13/66/39/975136639.db2.gz FTACEIUPAHLJGB-NEPJUHHUSA-N 1 2 222.332 2.227 20 30 BEEDLO C=CCOC1CCC([NH+]2CC(F)C2)CC1 ZINC001173319823 975306801 /nfs/dbraw/zinc/30/68/01/975306801.db2.gz XFDGECJLLVNIHF-UHFFFAOYSA-N 1 2 213.296 2.154 20 30 BEEDLO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C#N)CC)C1 ZINC001173652290 975512176 /nfs/dbraw/zinc/51/21/76/975512176.db2.gz PYWPREIQABFMRL-IJLUTSLNSA-N 1 2 238.331 2.000 20 30 BEEDLO C#Cc1cc(Nc2ccccc2COC)cc[nH+]1 ZINC001174104657 976307454 /nfs/dbraw/zinc/30/74/54/976307454.db2.gz VQMIVVUTSKETTK-UHFFFAOYSA-N 1 2 238.290 2.375 20 30 BEEDLO C=CCc1ccccc1OC[C@H]1C[N@H+](C)CCO1 ZINC001228847174 976522989 /nfs/dbraw/zinc/52/29/89/976522989.db2.gz RLBZOAMLHPWMMG-CQSZACIVSA-N 1 2 247.338 2.125 20 30 BEEDLO C=CCc1ccccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC001228847174 976523002 /nfs/dbraw/zinc/52/30/02/976523002.db2.gz RLBZOAMLHPWMMG-CQSZACIVSA-N 1 2 247.338 2.125 20 30 BEEDLO C#CCC1([NH2+]CC(=O)OC(C)C)CCCCC1 ZINC001334564428 976554344 /nfs/dbraw/zinc/55/43/44/976554344.db2.gz RRTHUBWVZPFLJK-UHFFFAOYSA-N 1 2 237.343 2.254 20 30 BEEDLO C#Cc1cc(Nc2ccc(O)cc2C)cc[nH+]1 ZINC001174559992 976876837 /nfs/dbraw/zinc/87/68/37/976876837.db2.gz ZZLHRMYDZAYQRI-UHFFFAOYSA-N 1 2 224.263 2.242 20 30 BEEDLO Cc1noc(Nc2ccc(N(C)C)[nH+]c2)c1C#N ZINC001175337722 977383924 /nfs/dbraw/zinc/38/39/24/977383924.db2.gz KSXLZFKNRXITQK-UHFFFAOYSA-N 1 2 243.270 2.059 20 30 BEEDLO C#CC[C@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920899 977385295 /nfs/dbraw/zinc/38/52/95/977385295.db2.gz XFWHIQSRTGVUGB-JTQLQIEISA-N 1 2 229.279 2.158 20 30 BEEDLO C=CCc1cccc(OC2C[NH+](C)C2)c1 ZINC001231015006 977425762 /nfs/dbraw/zinc/42/57/62/977425762.db2.gz KIIJMDGGOUBCFR-UHFFFAOYSA-N 1 2 203.285 2.108 20 30 BEEDLO C#CC(C#C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231083428 977474293 /nfs/dbraw/zinc/47/42/93/977474293.db2.gz BHDIFBJNABFIIG-UHFFFAOYSA-N 1 2 222.247 2.091 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H](C)CCC)C1 ZINC001277570510 977755427 /nfs/dbraw/zinc/75/54/27/977755427.db2.gz KIPWDRCZSPEELH-LBPRGKRZSA-N 1 2 238.375 2.141 20 30 BEEDLO C#CC[N@H+](C)Cc1cccc(Cl)c1O ZINC001231912452 977799929 /nfs/dbraw/zinc/79/99/29/977799929.db2.gz GYLHCDRACWLOEP-UHFFFAOYSA-N 1 2 209.676 2.111 20 30 BEEDLO C#Cc1cc(Nc2cc(C)c(N)c(C)c2)cc[nH+]1 ZINC001175932119 977818607 /nfs/dbraw/zinc/81/86/07/977818607.db2.gz OICGMCYHALBBNP-UHFFFAOYSA-N 1 2 237.306 2.427 20 30 BEEDLO COc1cc[nH+]cc1Nc1cnc(C#N)c(C)c1 ZINC001176119633 977952368 /nfs/dbraw/zinc/95/23/68/977952368.db2.gz XGESVMXBVRYVOV-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO CCOc1ccc(C[NH+]2CC(CC#N)C2)c(C)n1 ZINC001232308545 978000218 /nfs/dbraw/zinc/00/02/18/978000218.db2.gz RETFKWVHSWHCMM-UHFFFAOYSA-N 1 2 245.326 2.134 20 30 BEEDLO N#Cc1ccc(O)c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC001232673399 978230047 /nfs/dbraw/zinc/23/00/47/978230047.db2.gz FIIBOMUWVQFBNW-STQMWFEESA-N 1 2 242.322 2.496 20 30 BEEDLO CC1(C)C[NH+](Cc2cc(C#N)ccc2O)C1 ZINC001232673564 978234305 /nfs/dbraw/zinc/23/43/05/978234305.db2.gz JGGQBXPZVMAQBZ-UHFFFAOYSA-N 1 2 216.284 2.106 20 30 BEEDLO CC(C)C[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232673995 978234416 /nfs/dbraw/zinc/23/44/16/978234416.db2.gz PLAXCSLRHKRTBL-UHFFFAOYSA-N 1 2 218.300 2.352 20 30 BEEDLO CC(C)C[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232673995 978234422 /nfs/dbraw/zinc/23/44/22/978234422.db2.gz PLAXCSLRHKRTBL-UHFFFAOYSA-N 1 2 218.300 2.352 20 30 BEEDLO N#Cc1ccc(O)c(C[NH+]2CC3CC(C3)C2)c1 ZINC001232677865 978239798 /nfs/dbraw/zinc/23/97/98/978239798.db2.gz LRJYPKPLRDIXAU-UHFFFAOYSA-N 1 2 228.295 2.106 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC001232680081 978250825 /nfs/dbraw/zinc/25/08/25/978250825.db2.gz ASDRGQOUSCCVBJ-GFCCVEGCSA-N 1 2 234.274 2.198 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2CF)c1 ZINC001232680081 978250837 /nfs/dbraw/zinc/25/08/37/978250837.db2.gz ASDRGQOUSCCVBJ-GFCCVEGCSA-N 1 2 234.274 2.198 20 30 BEEDLO N#C[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(O)cc23)C1 ZINC001232870789 978314941 /nfs/dbraw/zinc/31/49/41/978314941.db2.gz KASSPLZKRIIBNK-JTQLQIEISA-N 1 2 241.294 2.219 20 30 BEEDLO N#C[C@@H]1CC[N@H+](Cc2c[nH]c3ccc(O)cc23)C1 ZINC001232870789 978314950 /nfs/dbraw/zinc/31/49/50/978314950.db2.gz KASSPLZKRIIBNK-JTQLQIEISA-N 1 2 241.294 2.219 20 30 BEEDLO Cc1cc(O)cc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC001232881560 978319847 /nfs/dbraw/zinc/31/98/47/978319847.db2.gz GATKPEZWLDMUFN-CQSZACIVSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1cc(O)cc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC001232881560 978319856 /nfs/dbraw/zinc/31/98/56/978319856.db2.gz GATKPEZWLDMUFN-CQSZACIVSA-N 1 2 230.311 2.436 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc(C)cc(O)c1 ZINC001232884737 978327934 /nfs/dbraw/zinc/32/79/34/978327934.db2.gz SUOZQPNNRJQFOI-UHFFFAOYSA-N 1 2 218.300 2.436 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc(C)cc(O)c1 ZINC001232884737 978327942 /nfs/dbraw/zinc/32/79/42/978327942.db2.gz SUOZQPNNRJQFOI-UHFFFAOYSA-N 1 2 218.300 2.436 20 30 BEEDLO N#Cc1cccc(C[NH+]2CC3(C2)CC(F)(F)C3)n1 ZINC001232922146 978335535 /nfs/dbraw/zinc/33/55/35/978335535.db2.gz MUPKVAVJDFGHQL-UHFFFAOYSA-N 1 2 249.264 2.184 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc(OCOC)c1 ZINC001233281665 978530176 /nfs/dbraw/zinc/53/01/76/978530176.db2.gz LHVPRHLSZWDBEE-UHFFFAOYSA-N 1 2 248.326 2.405 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc(OCOC)c1 ZINC001233281665 978530187 /nfs/dbraw/zinc/53/01/87/978530187.db2.gz LHVPRHLSZWDBEE-UHFFFAOYSA-N 1 2 248.326 2.405 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1csc(C#N)c1 ZINC001179479986 978709257 /nfs/dbraw/zinc/70/92/57/978709257.db2.gz ZJQDHJPQMZYAOB-QMMMGPOBSA-N 1 2 205.286 2.012 20 30 BEEDLO CC[N@H+](CCC#N)C[C@@H](C)C(F)(F)F ZINC000441165596 978822649 /nfs/dbraw/zinc/82/26/49/978822649.db2.gz HYAHTCIXLSBGHQ-MRVPVSSYSA-N 1 2 208.227 2.420 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@@H](C)C(F)(F)F ZINC000441165596 978822652 /nfs/dbraw/zinc/82/26/52/978822652.db2.gz HYAHTCIXLSBGHQ-MRVPVSSYSA-N 1 2 208.227 2.420 20 30 BEEDLO CC(C)c1c(C#N)cccc1OC1C[NH+](C)C1 ZINC001234855023 978919442 /nfs/dbraw/zinc/91/94/42/978919442.db2.gz WAYKXKSWGXUMSW-UHFFFAOYSA-N 1 2 230.311 2.374 20 30 BEEDLO N#CCc1ccc(NCc2ccc[nH+]c2N)cc1 ZINC001180708486 978934086 /nfs/dbraw/zinc/93/40/86/978934086.db2.gz VELUUBUDBNTFQN-UHFFFAOYSA-N 1 2 238.294 2.342 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc2cccc(F)c2[nH]1 ZINC001235255016 979011961 /nfs/dbraw/zinc/01/19/61/979011961.db2.gz YRRKGHNRJAKHCS-UHFFFAOYSA-N 1 2 240.281 2.375 20 30 BEEDLO C[N@H+](Cc1ccon1)Cc1ccccc1CC#N ZINC001235526925 979074186 /nfs/dbraw/zinc/07/41/86/979074186.db2.gz DYTOROHIAOYEJQ-UHFFFAOYSA-N 1 2 241.294 2.373 20 30 BEEDLO C[N@@H+](Cc1ccon1)Cc1ccccc1CC#N ZINC001235526925 979074197 /nfs/dbraw/zinc/07/41/97/979074197.db2.gz DYTOROHIAOYEJQ-UHFFFAOYSA-N 1 2 241.294 2.373 20 30 BEEDLO Cc1ccc(Nc2ncc(C#N)nc2C)c(C)[nH+]1 ZINC001203370609 979468968 /nfs/dbraw/zinc/46/89/68/979468968.db2.gz PAOVBUJWBNODSC-UHFFFAOYSA-N 1 2 239.282 2.412 20 30 BEEDLO Cc1ccc(Nc2c(C#N)ncn2C)c(C)[nH+]1 ZINC001203370169 979469415 /nfs/dbraw/zinc/46/94/15/979469415.db2.gz XELRKTQBROQIDI-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO COc1cc(-c2ccc(N)[nH+]c2)cc(F)c1C#N ZINC001236317554 979531650 /nfs/dbraw/zinc/53/16/50/979531650.db2.gz MZHCHYDCOBGXNL-UHFFFAOYSA-N 1 2 243.241 2.350 20 30 BEEDLO C[C@@]1(F)CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC001237459926 979902874 /nfs/dbraw/zinc/90/28/74/979902874.db2.gz XTTCWIOHXPXAPD-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC001237459926 979902879 /nfs/dbraw/zinc/90/28/79/979902879.db2.gz XTTCWIOHXPXAPD-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccn3nccc3c2)C1 ZINC001237546994 979936445 /nfs/dbraw/zinc/93/64/45/979936445.db2.gz QPTISQXGSMZGTJ-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccn3nccc3c2)C1 ZINC001237546994 979936452 /nfs/dbraw/zinc/93/64/52/979936452.db2.gz QPTISQXGSMZGTJ-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO CCCC#CC(=O)Nc1cccc2[nH+]ccn21 ZINC001184265401 979993747 /nfs/dbraw/zinc/99/37/47/979993747.db2.gz AKEJYQCLEICVLT-UHFFFAOYSA-N 1 2 227.267 2.076 20 30 BEEDLO CCc1cc(C[N@@H+]2CC[C@@H](C#N)C2)ccc1C#N ZINC001238778765 980320928 /nfs/dbraw/zinc/32/09/28/980320928.db2.gz QLBDJQKQPQRHPF-ZDUSSCGKSA-N 1 2 239.322 2.466 20 30 BEEDLO CCc1cc(C[N@H+]2CC[C@@H](C#N)C2)ccc1C#N ZINC001238778765 980320935 /nfs/dbraw/zinc/32/09/35/980320935.db2.gz QLBDJQKQPQRHPF-ZDUSSCGKSA-N 1 2 239.322 2.466 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cccn1C1CC1 ZINC001344060885 980331763 /nfs/dbraw/zinc/33/17/63/980331763.db2.gz HRTPJDHRMGGAEA-UHFFFAOYSA-N 1 2 226.323 2.282 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cccn1C1CC1 ZINC001344060885 980331771 /nfs/dbraw/zinc/33/17/71/980331771.db2.gz HRTPJDHRMGGAEA-UHFFFAOYSA-N 1 2 226.323 2.282 20 30 BEEDLO CC(C)(C#N)CC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001344107674 980348620 /nfs/dbraw/zinc/34/86/20/980348620.db2.gz ONWWQYMWMNAGGN-UHFFFAOYSA-N 1 2 249.314 2.101 20 30 BEEDLO N#Cc1c(F)cc(CCn2cc[nH+]c2)cc1F ZINC001250316762 980756600 /nfs/dbraw/zinc/75/66/00/980756600.db2.gz WVCOLDHUKGOOKH-UHFFFAOYSA-N 1 2 233.221 2.276 20 30 BEEDLO C[N@H+](CCC#N)C[C@@]1(C)CC1(Cl)Cl ZINC000828015689 980806484 /nfs/dbraw/zinc/80/64/84/980806484.db2.gz JMXHZRMRAVAQFR-MRVPVSSYSA-N 1 2 221.131 2.416 20 30 BEEDLO C[N@@H+](CCC#N)C[C@@]1(C)CC1(Cl)Cl ZINC000828015689 980806485 /nfs/dbraw/zinc/80/64/85/980806485.db2.gz JMXHZRMRAVAQFR-MRVPVSSYSA-N 1 2 221.131 2.416 20 30 BEEDLO C=C(CC)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC001346388378 980824102 /nfs/dbraw/zinc/82/41/02/980824102.db2.gz LSHNMYMMXAMDIO-UHFFFAOYSA-N 1 2 248.326 2.289 20 30 BEEDLO C=C(CC(C)C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC001346694367 980886132 /nfs/dbraw/zinc/88/61/32/980886132.db2.gz CUQAAAOIVDZCDR-UHFFFAOYSA-N 1 2 249.358 2.334 20 30 BEEDLO N#Cc1c(F)cc(-c2ccc[nH+]c2N)cc1F ZINC001239920756 981034086 /nfs/dbraw/zinc/03/40/86/981034086.db2.gz MYVLSXPQJKCROD-UHFFFAOYSA-N 1 2 231.205 2.481 20 30 BEEDLO N#CCc1ccc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240219326 981171392 /nfs/dbraw/zinc/17/13/92/981171392.db2.gz GMTVRHKHOHNNEG-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO N#Cc1cnc(-c2ccn3cc[nH+]c3c2)c(F)c1 ZINC001240497213 981418781 /nfs/dbraw/zinc/41/87/81/981418781.db2.gz NMIMZGUTSSHDHB-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO N#Cc1cc(-c2ccn3cc[nH+]c3c2)cnc1F ZINC001240510619 981435982 /nfs/dbraw/zinc/43/59/82/981435982.db2.gz OUJZUCSVVVFGDC-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO C=CC[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)C(=O)OCC ZINC001349623399 981598696 /nfs/dbraw/zinc/59/86/96/981598696.db2.gz CNIVDHAXSKMUHQ-AEJSXWLSSA-N 1 2 247.285 2.128 20 30 BEEDLO C=C1CC(c2noc([C@@H](C)n3cc[nH+]c3)n2)C1 ZINC001350358464 981938042 /nfs/dbraw/zinc/93/80/42/981938042.db2.gz XORCZNQZWUESQN-SECBINFHSA-N 1 2 230.271 2.309 20 30 BEEDLO N#Cc1cnc2cc[nH]c(-c3cc[nH+]c(N)c3)c1-2 ZINC001241158246 982297228 /nfs/dbraw/zinc/29/72/28/982297228.db2.gz ZGEOOEVSKPHRFP-UHFFFAOYSA-N 1 2 235.250 2.079 20 30 BEEDLO N#Cc1c[nH]c2ncc(-c3cc[nH+]c(N)c3)cc12 ZINC001241169591 982314526 /nfs/dbraw/zinc/31/45/26/982314526.db2.gz HAQPUHOFQCGINN-UHFFFAOYSA-N 1 2 235.250 2.079 20 30 BEEDLO N#Cc1cc(-c2c[nH+]c3c(c2)CCCN3)ccn1 ZINC001241200207 982349129 /nfs/dbraw/zinc/34/91/29/982349129.db2.gz SFQGKIGBWHZWCJ-UHFFFAOYSA-N 1 2 236.278 2.016 20 30 BEEDLO C=C(C)CCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001353565608 982893938 /nfs/dbraw/zinc/89/39/38/982893938.db2.gz RBTSPNCHUHDUDI-CYBMUJFWSA-N 1 2 247.342 2.403 20 30 BEEDLO Cc1cc(N)[nH+]cc1-c1nccc(C#N)c1F ZINC001242072848 983311282 /nfs/dbraw/zinc/31/12/82/983311282.db2.gz RUDWVQHNCKXQSE-UHFFFAOYSA-N 1 2 228.230 2.045 20 30 BEEDLO CC(C)CC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201614950 983378190 /nfs/dbraw/zinc/37/81/90/983378190.db2.gz QEEFNHBBCZRQCN-LLVKDONJSA-N 1 2 225.357 2.307 20 30 BEEDLO CC(C)CC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201614950 983378192 /nfs/dbraw/zinc/37/81/92/983378192.db2.gz QEEFNHBBCZRQCN-LLVKDONJSA-N 1 2 225.357 2.307 20 30 BEEDLO CCCC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001201703864 983416045 /nfs/dbraw/zinc/41/60/45/983416045.db2.gz BLJBCZLPSHRANA-SNVBAGLBSA-N 1 2 211.330 2.061 20 30 BEEDLO CCCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001201703864 983416049 /nfs/dbraw/zinc/41/60/49/983416049.db2.gz BLJBCZLPSHRANA-SNVBAGLBSA-N 1 2 211.330 2.061 20 30 BEEDLO CCCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201703864 983416055 /nfs/dbraw/zinc/41/60/55/983416055.db2.gz BLJBCZLPSHRANA-SNVBAGLBSA-N 1 2 211.330 2.061 20 30 BEEDLO CCCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201703864 983416059 /nfs/dbraw/zinc/41/60/59/983416059.db2.gz BLJBCZLPSHRANA-SNVBAGLBSA-N 1 2 211.330 2.061 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC001561032779 984016255 /nfs/dbraw/zinc/01/62/55/984016255.db2.gz QCFRHBHMGQJGKB-UHFFFAOYSA-N 1 2 238.281 2.096 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC001561032779 984016239 /nfs/dbraw/zinc/01/62/39/984016239.db2.gz QCFRHBHMGQJGKB-UHFFFAOYSA-N 1 2 238.281 2.096 20 30 BEEDLO CCCC[N@H+](CC#N)CC1CCOCC1 ZINC001202597103 984121923 /nfs/dbraw/zinc/12/19/23/984121923.db2.gz RJVLOSFVXXDYEC-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO CCCC[N@@H+](CC#N)CC1CCOCC1 ZINC001202597103 984121926 /nfs/dbraw/zinc/12/19/26/984121926.db2.gz RJVLOSFVXXDYEC-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO C=C[C@H](O)CNc1ccc[nH+]c1N1CCCCC1 ZINC001253568109 984246478 /nfs/dbraw/zinc/24/64/78/984246478.db2.gz BZWIVEFRPFLSJI-LBPRGKRZSA-N 1 2 247.342 2.031 20 30 BEEDLO C#Cc1cc(Nc2cc(F)ncc2C)cc[nH+]1 ZINC001212846607 984281940 /nfs/dbraw/zinc/28/19/40/984281940.db2.gz BAODMBJCLBLGSM-UHFFFAOYSA-N 1 2 227.242 2.071 20 30 BEEDLO Cc1cc(-c2c[nH+]cn2C)cc(F)c1C#N ZINC001243071120 984499083 /nfs/dbraw/zinc/49/90/83/984499083.db2.gz MNZQTCKBOJHFFT-UHFFFAOYSA-N 1 2 215.231 2.406 20 30 BEEDLO N#CCc1cccc(-c2ccc[nH+]c2N)c1 ZINC001243474031 985024999 /nfs/dbraw/zinc/02/49/99/985024999.db2.gz IDBABDCLYNVHNQ-UHFFFAOYSA-N 1 2 209.252 2.397 20 30 BEEDLO COc1ccc(CC#N)cc1-c1ccc[nH+]c1N ZINC001243474789 985030523 /nfs/dbraw/zinc/03/05/23/985030523.db2.gz RVEZUNJAUYTOPF-UHFFFAOYSA-N 1 2 239.278 2.405 20 30 BEEDLO COc1ccc(/C(C)=C/C=C/[NH3+])c(C#N)c1 ZINC001243731737 985250876 /nfs/dbraw/zinc/25/08/76/985250876.db2.gz IQXQMAXIVIPFAJ-DROBUMMNSA-N 1 2 214.268 2.443 20 30 BEEDLO C[C@@H]1C[C@H]([N@@H+]2CCO[C@@H](C#N)C2)CC(C)(C)C1 ZINC001258700387 986023597 /nfs/dbraw/zinc/02/35/97/986023597.db2.gz MFRAAVHSAZRROM-AGIUHOORSA-N 1 2 236.359 2.426 20 30 BEEDLO C[C@@H]1C[C@H]([N@H+]2CCO[C@@H](C#N)C2)CC(C)(C)C1 ZINC001258700387 986023609 /nfs/dbraw/zinc/02/36/09/986023609.db2.gz MFRAAVHSAZRROM-AGIUHOORSA-N 1 2 236.359 2.426 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC001461228314 986027323 /nfs/dbraw/zinc/02/73/23/986027323.db2.gz BPWOKILQWDEOCC-UHFFFAOYSA-N 1 2 238.674 2.376 20 30 BEEDLO Cc1nn(C(C)C)c(C)c1C[NH2+][C@H](C)CC#N ZINC001461724022 986122788 /nfs/dbraw/zinc/12/27/88/986122788.db2.gz IYTOZSCGJJQHMU-SNVBAGLBSA-N 1 2 234.347 2.473 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H](CO)c1cccc(OC)c1 ZINC001255155783 986829066 /nfs/dbraw/zinc/82/90/66/986829066.db2.gz TYYPYDPNFPTQKF-GXTWGEPZSA-N 1 2 248.326 2.010 20 30 BEEDLO CC[C@H](CC#N)[NH+]1CCC(c2nnc(C)o2)CC1 ZINC001255175614 986870778 /nfs/dbraw/zinc/87/07/78/986870778.db2.gz RZWUIEXHFYQZSJ-GFCCVEGCSA-N 1 2 248.330 2.250 20 30 BEEDLO C=CC[N@@H+](C)Cc1ccc(Cl)nc1F ZINC001137476725 986924714 /nfs/dbraw/zinc/92/47/14/986924714.db2.gz PVPKNBXQDZSADT-UHFFFAOYSA-N 1 2 214.671 2.492 20 30 BEEDLO C=CC[N@H+](C)Cc1ccc(Cl)nc1F ZINC001137476725 986924721 /nfs/dbraw/zinc/92/47/21/986924721.db2.gz PVPKNBXQDZSADT-UHFFFAOYSA-N 1 2 214.671 2.492 20 30 BEEDLO Cc1cnc(-c2c[nH+]c(N)c(C)c2)cc1C#N ZINC001245538687 986921443 /nfs/dbraw/zinc/92/14/43/986921443.db2.gz RZEDIFFHSDKBNC-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO N#CC1(C[N@@H+]2CCc3cc(O)ccc3C2)CC1 ZINC001473903261 987611733 /nfs/dbraw/zinc/61/17/33/987611733.db2.gz ZPKHYOKZHFWZNA-UHFFFAOYSA-N 1 2 228.295 2.054 20 30 BEEDLO N#CC1(C[N@H+]2CCc3cc(O)ccc3C2)CC1 ZINC001473903261 987611737 /nfs/dbraw/zinc/61/17/37/987611737.db2.gz ZPKHYOKZHFWZNA-UHFFFAOYSA-N 1 2 228.295 2.054 20 30 BEEDLO CCC[C@H](C)CC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246594050 988182584 /nfs/dbraw/zinc/18/25/84/988182584.db2.gz OQGGGFNQHKUVPI-IHRRRGAJSA-N 1 2 237.391 2.389 20 30 BEEDLO CCC[C@H](C)CC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001246594007 988189230 /nfs/dbraw/zinc/18/92/30/988189230.db2.gz OQGGGFNQHKUVPI-BFHYXJOUSA-N 1 2 237.391 2.389 20 30 BEEDLO C#CC[N@@H+](Cc1csc(C)n1)CC1CC1 ZINC001322948564 988409967 /nfs/dbraw/zinc/40/99/67/988409967.db2.gz OTOCAMDWHDIDFD-UHFFFAOYSA-N 1 2 220.341 2.297 20 30 BEEDLO C#CC[N@H+](Cc1csc(C)n1)CC1CC1 ZINC001322948564 988409971 /nfs/dbraw/zinc/40/99/71/988409971.db2.gz OTOCAMDWHDIDFD-UHFFFAOYSA-N 1 2 220.341 2.297 20 30 BEEDLO CC(C)C[C@@H](C)C[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246886747 988656999 /nfs/dbraw/zinc/65/69/99/988656999.db2.gz DMEKIPWYMPSDIQ-MCIONIFRSA-N 1 2 237.391 2.245 20 30 BEEDLO C#C[C@H]([NH2+]Cc1cc(C)n[nH]1)c1ccc(F)cc1 ZINC001324270387 988772534 /nfs/dbraw/zinc/77/25/34/988772534.db2.gz QUTTUNUWLKUZPM-AWEZNQCLSA-N 1 2 243.285 2.321 20 30 BEEDLO C=CCC[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001514859005 988952774 /nfs/dbraw/zinc/95/27/74/988952774.db2.gz NJTCQJVGAHRLLP-GFCCVEGCSA-N 1 2 247.342 2.300 20 30 BEEDLO C=CCCCNC(=S)Nc1cc[nH+]c(CC)c1 ZINC001247709276 988996125 /nfs/dbraw/zinc/99/61/25/988996125.db2.gz JYRKGDOOOJYSGQ-UHFFFAOYSA-N 1 2 249.383 2.319 20 30 BEEDLO Cc1noc2ccc(C[N@H+](C)CCC#N)cc12 ZINC001248687425 989125202 /nfs/dbraw/zinc/12/52/02/989125202.db2.gz UHXWZSBUHKHLFI-UHFFFAOYSA-N 1 2 229.283 2.482 20 30 BEEDLO Cc1noc2ccc(C[N@@H+](C)CCC#N)cc12 ZINC001248687425 989125207 /nfs/dbraw/zinc/12/52/07/989125207.db2.gz UHXWZSBUHKHLFI-UHFFFAOYSA-N 1 2 229.283 2.482 20 30 BEEDLO C=CCC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001516125735 989141806 /nfs/dbraw/zinc/14/18/06/989141806.db2.gz HQYKMIGIYHEKGS-LLVKDONJSA-N 1 2 232.331 2.453 20 30 BEEDLO C=CCC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001516125735 989141815 /nfs/dbraw/zinc/14/18/15/989141815.db2.gz HQYKMIGIYHEKGS-LLVKDONJSA-N 1 2 232.331 2.453 20 30 BEEDLO CCc1cc(C#N)ccc1C[NH+]1CC2(CCO2)C1 ZINC001248751777 989145682 /nfs/dbraw/zinc/14/56/82/989145682.db2.gz KAAYJHIIRJWUHO-UHFFFAOYSA-N 1 2 242.322 2.095 20 30 BEEDLO CC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC001119690884 989319982 /nfs/dbraw/zinc/31/99/82/989319982.db2.gz VREHBRVPYOIGAS-NSHDSACASA-N 1 2 204.273 2.324 20 30 BEEDLO C=C(CC)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001519020758 989372597 /nfs/dbraw/zinc/37/25/97/989372597.db2.gz OQSPFWDQVUIIEI-GFCCVEGCSA-N 1 2 249.358 2.380 20 30 BEEDLO C=CC(C)(C)CCCNC(=O)C[C@H]([NH3+])C(F)F ZINC001522393413 989850268 /nfs/dbraw/zinc/85/02/68/989850268.db2.gz SEEMDXWIZHHMNP-VIFPVBQESA-N 1 2 248.317 2.078 20 30 BEEDLO C=CCC[C@H]1CCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001120732895 989855439 /nfs/dbraw/zinc/85/54/39/989855439.db2.gz AKHAHWOTFKUYBB-STQMWFEESA-N 1 2 247.342 2.401 20 30 BEEDLO N#Cc1cc(C[NH2+]Cc2ncccc2F)cs1 ZINC001308391558 990980516 /nfs/dbraw/zinc/98/05/16/990980516.db2.gz FNZJGDPDOJIKFT-UHFFFAOYSA-N 1 2 247.298 2.444 20 30 BEEDLO CCOC(=O)CCC[C@H](C)[NH2+][C@H](C#N)CC ZINC001258111706 991024042 /nfs/dbraw/zinc/02/40/42/991024042.db2.gz LCNLALCQRIORON-QWRGUYRKSA-N 1 2 226.320 2.000 20 30 BEEDLO C#CCSCCNc1cc(CC)[nH+]c(CC)n1 ZINC001559111936 991033036 /nfs/dbraw/zinc/03/30/36/991033036.db2.gz BQEWQYCLQBNHRV-UHFFFAOYSA-N 1 2 249.383 2.380 20 30 BEEDLO N#CC[C@H]1CCC[N@@H+](Cc2cccnc2F)C1 ZINC001138788209 991053367 /nfs/dbraw/zinc/05/33/67/991053367.db2.gz YJIHZIJTNLAZQH-LLVKDONJSA-N 1 2 233.290 2.346 20 30 BEEDLO N#CC[C@H]1CCC[N@H+](Cc2cccnc2F)C1 ZINC001138788209 991053374 /nfs/dbraw/zinc/05/33/74/991053374.db2.gz YJIHZIJTNLAZQH-LLVKDONJSA-N 1 2 233.290 2.346 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1ccc(N(C)C)nc1 ZINC001139456881 991242660 /nfs/dbraw/zinc/24/26/60/991242660.db2.gz RUSBCLKPEHHHTN-UHFFFAOYSA-N 1 2 246.358 2.273 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1ccc(N(C)C)nc1 ZINC001139456881 991242669 /nfs/dbraw/zinc/24/26/69/991242669.db2.gz RUSBCLKPEHHHTN-UHFFFAOYSA-N 1 2 246.358 2.273 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CCCc1ccccc1C ZINC001559899474 991313841 /nfs/dbraw/zinc/31/38/41/991313841.db2.gz IQDSPSKYAHMNGL-INIZCTEOSA-N 1 2 243.350 2.262 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CCCc1ccccc1C ZINC001559899474 991313853 /nfs/dbraw/zinc/31/38/53/991313853.db2.gz IQDSPSKYAHMNGL-INIZCTEOSA-N 1 2 243.350 2.262 20 30 BEEDLO C=CCn1cc(C[N@H+]2CCC[C@H](F)C2)cn1 ZINC001139770076 991366952 /nfs/dbraw/zinc/36/69/52/991366952.db2.gz BWLGVXWSBYJQOR-LBPRGKRZSA-N 1 2 223.295 2.003 20 30 BEEDLO C=CCn1cc(C[N@@H+]2CCC[C@H](F)C2)cn1 ZINC001139770076 991366957 /nfs/dbraw/zinc/36/69/57/991366957.db2.gz BWLGVXWSBYJQOR-LBPRGKRZSA-N 1 2 223.295 2.003 20 30 BEEDLO COc1cc(C[N@@H+]2CC[C@@H](C#N)C2)ccc1C ZINC001140160085 991544861 /nfs/dbraw/zinc/54/48/61/991544861.db2.gz LWFDHDXMTGIHRA-ZDUSSCGKSA-N 1 2 230.311 2.349 20 30 BEEDLO COc1cc(C[N@H+]2CC[C@@H](C#N)C2)ccc1C ZINC001140160085 991544870 /nfs/dbraw/zinc/54/48/70/991544870.db2.gz LWFDHDXMTGIHRA-ZDUSSCGKSA-N 1 2 230.311 2.349 20 30 BEEDLO N#C[C@H]1CC[N@@H+](Cc2c[nH]c3cccc(O)c23)C1 ZINC001140235397 991571716 /nfs/dbraw/zinc/57/17/16/991571716.db2.gz GOLQYPUNJCHUQR-SNVBAGLBSA-N 1 2 241.294 2.219 20 30 BEEDLO N#C[C@H]1CC[N@H+](Cc2c[nH]c3cccc(O)c23)C1 ZINC001140235397 991571724 /nfs/dbraw/zinc/57/17/24/991571724.db2.gz GOLQYPUNJCHUQR-SNVBAGLBSA-N 1 2 241.294 2.219 20 30 BEEDLO C[N@H+](CCC#N)Cc1ccc(Cl)cc1O ZINC001140461743 991644422 /nfs/dbraw/zinc/64/44/22/991644422.db2.gz SQWNZZULUMCMPL-UHFFFAOYSA-N 1 2 224.691 2.391 20 30 BEEDLO C[N@@H+](CCC#N)Cc1ccc(Cl)cc1O ZINC001140461743 991644424 /nfs/dbraw/zinc/64/44/24/991644424.db2.gz SQWNZZULUMCMPL-UHFFFAOYSA-N 1 2 224.691 2.391 20 30 BEEDLO C=CCC[C@H](C)[NH2+][C@]1(C(=O)OCC)C[C@H]1C=C ZINC001258722302 991654866 /nfs/dbraw/zinc/65/48/66/991654866.db2.gz NQMAWEZQGJTDPW-OUCADQQQSA-N 1 2 237.343 2.439 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001319829650 991997334 /nfs/dbraw/zinc/99/73/34/991997334.db2.gz SRPVLNVHXRHSBM-RYUDHWBXSA-N 1 2 235.331 2.305 20 30 BEEDLO C=C[C@H](COC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001320426511 992199430 /nfs/dbraw/zinc/19/94/30/992199430.db2.gz MVRANILWSKBMLI-LLVKDONJSA-N 1 2 233.315 2.275 20 30 BEEDLO C=C[C@H](COC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001320426430 992199916 /nfs/dbraw/zinc/19/99/16/992199916.db2.gz LCYATXBLFPHVJW-LLVKDONJSA-N 1 2 247.342 2.277 20 30 BEEDLO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncn[nH]1 ZINC001261640946 992437481 /nfs/dbraw/zinc/43/74/81/992437481.db2.gz RITIAUFRFNPOSS-QWRGUYRKSA-N 1 2 220.320 2.029 20 30 BEEDLO C=CC(C)(C)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001261830397 992525917 /nfs/dbraw/zinc/52/59/17/992525917.db2.gz VIHFEQRXQUNWOK-LLVKDONJSA-N 1 2 235.331 2.163 20 30 BEEDLO Cc1nnn([NH+]=C[C@H](C)C(C)(C)C)c1C ZINC001262037154 992623547 /nfs/dbraw/zinc/62/35/47/992623547.db2.gz NCJGGOPKEUMHAY-QMMMGPOBSA-N 1 2 208.309 2.411 20 30 BEEDLO Cc1nnn([NH+]=C[C@@H](C)C(C)(C)C)c1C ZINC001262037153 992623929 /nfs/dbraw/zinc/62/39/29/992623929.db2.gz NCJGGOPKEUMHAY-MRVPVSSYSA-N 1 2 208.309 2.411 20 30 BEEDLO C=C(C)CCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC001262616747 992964684 /nfs/dbraw/zinc/96/46/84/992964684.db2.gz XZOLOLGQMUWCMA-LBPRGKRZSA-N 1 2 247.342 2.092 20 30 BEEDLO C=CCC[C@H]1CCCN1c1cc(N(C)C)[nH+]cn1 ZINC001262712096 993052795 /nfs/dbraw/zinc/05/27/95/993052795.db2.gz SKJZRXMSHFCAHB-LBPRGKRZSA-N 1 2 246.358 2.478 20 30 BEEDLO C=CCC[C@H]1CCCN1c1cc(N(C)C)nc[nH+]1 ZINC001262712096 993052799 /nfs/dbraw/zinc/05/27/99/993052799.db2.gz SKJZRXMSHFCAHB-LBPRGKRZSA-N 1 2 246.358 2.478 20 30 BEEDLO CC[C@H](C)[C@H](C)[N@@H+]1CCO[C@@](C)(C#N)C1 ZINC001308113420 995554734 /nfs/dbraw/zinc/55/47/34/995554734.db2.gz DVCUDXHZZWARNN-SRVKXCTJSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[C@H](C)[C@H](C)[N@H+]1CCO[C@@](C)(C#N)C1 ZINC001308113420 995554747 /nfs/dbraw/zinc/55/47/47/995554747.db2.gz DVCUDXHZZWARNN-SRVKXCTJSA-N 1 2 210.321 2.035 20 30 BEEDLO N#Cc1cc(C[NH2+]Cc2nccs2)cs1 ZINC001308216877 995598362 /nfs/dbraw/zinc/59/83/62/995598362.db2.gz RRWHGWYYWIEWMX-UHFFFAOYSA-N 1 2 235.337 2.366 20 30 BEEDLO N#Cc1ccc(Nc2[nH+]cccc2N)cc1 ZINC000020585590 1170126918 /nfs/dbraw/zinc/12/69/18/1170126918.db2.gz NJXZSDVOMVDTOT-UHFFFAOYSA-N 1 2 210.240 2.279 20 30 BEEDLO C=C(C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001624587832 1171045357 /nfs/dbraw/zinc/04/53/57/1171045357.db2.gz LSRYKFTYPBZZHB-UHFFFAOYSA-N 1 2 229.283 2.259 20 30 BEEDLO CC(C)[C@@H]1CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000335180697 398180056 /nfs/dbraw/zinc/18/00/56/398180056.db2.gz MDXWWWJVIDMOKS-JTQLQIEISA-N 1 2 221.329 2.245 20 30 BEEDLO CC(C)[C@@H]1CC[N@H+]1Cc1nc(C#N)cs1 ZINC000335180697 398180060 /nfs/dbraw/zinc/18/00/60/398180060.db2.gz MDXWWWJVIDMOKS-JTQLQIEISA-N 1 2 221.329 2.245 20 30 BEEDLO C=C[C@@H]([NH2+][C@@H](CC)C1CCCC1)C(=O)OC ZINC000382805315 398202567 /nfs/dbraw/zinc/20/25/67/398202567.db2.gz BICQOUCXYGFGGO-NWDGAFQWSA-N 1 2 225.332 2.272 20 30 BEEDLO Cc1[nH+]ccc(N(C)CCC#N)c1Cl ZINC000307387045 136222166 /nfs/dbraw/zinc/22/21/66/136222166.db2.gz LCFZGNIJUSUTOO-UHFFFAOYSA-N 1 2 209.680 2.393 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc(F)c1N ZINC000602438506 349525581 /nfs/dbraw/zinc/52/55/81/349525581.db2.gz RUODDFWVDDEIHA-UHFFFAOYSA-N 1 2 221.279 2.143 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc(F)c1N ZINC000602438506 349525583 /nfs/dbraw/zinc/52/55/83/349525583.db2.gz RUODDFWVDDEIHA-UHFFFAOYSA-N 1 2 221.279 2.143 20 30 BEEDLO N#CCC[N@@H+](Cc1ccns1)CC1CC1 ZINC000602465671 349539184 /nfs/dbraw/zinc/53/91/84/349539184.db2.gz RVRSEOQVRKPNFZ-UHFFFAOYSA-N 1 2 221.329 2.269 20 30 BEEDLO N#CCC[N@H+](Cc1ccns1)CC1CC1 ZINC000602465671 349539186 /nfs/dbraw/zinc/53/91/86/349539186.db2.gz RVRSEOQVRKPNFZ-UHFFFAOYSA-N 1 2 221.329 2.269 20 30 BEEDLO CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@H](C#N)C1 ZINC000600117238 342674188 /nfs/dbraw/zinc/67/41/88/342674188.db2.gz IRHZLGXQUVWJSW-MGPQQGTHSA-N 1 2 236.359 2.427 20 30 BEEDLO CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@H](C#N)C1 ZINC000600117238 342674189 /nfs/dbraw/zinc/67/41/89/342674189.db2.gz IRHZLGXQUVWJSW-MGPQQGTHSA-N 1 2 236.359 2.427 20 30 BEEDLO Cc1[nH]c(CN(CCC#N)C(C)C)[nH+]c1C ZINC000600111630 342670377 /nfs/dbraw/zinc/67/03/77/342670377.db2.gz PBHJIZCHICOYHH-UHFFFAOYSA-N 1 2 220.320 2.151 20 30 BEEDLO CCN(Cc1[nH]c(C)c(C)[nH+]1)C[C@@H](C)C#N ZINC000600113376 342671671 /nfs/dbraw/zinc/67/16/71/342671671.db2.gz RWBFZQDFJFGULM-VIFPVBQESA-N 1 2 220.320 2.008 20 30 BEEDLO C=C[C@@H]([NH2+]C1CCC2(CC2)CC1)C(=O)OC ZINC000309670127 342780103 /nfs/dbraw/zinc/78/01/03/342780103.db2.gz VRHHOUKRQNFRBP-LLVKDONJSA-N 1 2 223.316 2.026 20 30 BEEDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)n1 ZINC000361608877 398294419 /nfs/dbraw/zinc/29/44/19/398294419.db2.gz HLVMXUXCDTYIPB-SSDOTTSWSA-N 1 2 248.311 2.162 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1cccc(F)c1C#N ZINC000602608872 349632665 /nfs/dbraw/zinc/63/26/65/349632665.db2.gz YCXFKXZENIKXJE-UHFFFAOYSA-N 1 2 231.274 2.337 20 30 BEEDLO N#C[C@]1(F)CC[N@H+](CC2CCSCC2)C1 ZINC000602631245 349648307 /nfs/dbraw/zinc/64/83/07/349648307.db2.gz ROGYDXVXEWDZSW-LLVKDONJSA-N 1 2 228.336 2.067 20 30 BEEDLO N#C[C@]1(F)CC[N@@H+](CC2CCSCC2)C1 ZINC000602631245 349648309 /nfs/dbraw/zinc/64/83/09/349648309.db2.gz ROGYDXVXEWDZSW-LLVKDONJSA-N 1 2 228.336 2.067 20 30 BEEDLO C=C(C)C[N@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000626016612 398332951 /nfs/dbraw/zinc/33/29/51/398332951.db2.gz FVCRQWUAVZONBF-RKDXNWHRSA-N 1 2 223.238 2.214 20 30 BEEDLO C=C(C)C[N@@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000626016612 398332952 /nfs/dbraw/zinc/33/29/52/398332952.db2.gz FVCRQWUAVZONBF-RKDXNWHRSA-N 1 2 223.238 2.214 20 30 BEEDLO Cc1cc(N2CC[C@H](C)[C@@H]2C)c(C#N)c[nH+]1 ZINC000335508756 398341634 /nfs/dbraw/zinc/34/16/34/398341634.db2.gz BUNPHGJSRIBIJW-ONGXEEELSA-N 1 2 215.300 2.496 20 30 BEEDLO COCCC[N@H+](CCC#N)Cc1ccco1 ZINC000176289481 346907954 /nfs/dbraw/zinc/90/79/54/346907954.db2.gz ZYGDIYDNXSRCOL-UHFFFAOYSA-N 1 2 222.288 2.032 20 30 BEEDLO COCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000176289481 346907956 /nfs/dbraw/zinc/90/79/56/346907956.db2.gz ZYGDIYDNXSRCOL-UHFFFAOYSA-N 1 2 222.288 2.032 20 30 BEEDLO Cc1ncc([C@H](C)[N@@H+]2CC[C@](C)(C#N)C2)c(C)n1 ZINC000602717342 349707273 /nfs/dbraw/zinc/70/72/73/349707273.db2.gz GAWSERPAEAKYDJ-SMDDNHRTSA-N 1 2 244.342 2.390 20 30 BEEDLO Cc1ncc([C@H](C)[N@H+]2CC[C@](C)(C#N)C2)c(C)n1 ZINC000602717342 349707277 /nfs/dbraw/zinc/70/72/77/349707277.db2.gz GAWSERPAEAKYDJ-SMDDNHRTSA-N 1 2 244.342 2.390 20 30 BEEDLO N#CC1(C[N@H+]2CCc3c(F)cccc3C2)CC1 ZINC000335901160 136259254 /nfs/dbraw/zinc/25/92/54/136259254.db2.gz PSCNLWZRAMHRND-UHFFFAOYSA-N 1 2 230.286 2.488 20 30 BEEDLO N#CC1(C[N@@H+]2CCc3c(F)cccc3C2)CC1 ZINC000335901160 136259255 /nfs/dbraw/zinc/25/92/55/136259255.db2.gz PSCNLWZRAMHRND-UHFFFAOYSA-N 1 2 230.286 2.488 20 30 BEEDLO CN(C)c1c[nH+]cc(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000602723948 349714418 /nfs/dbraw/zinc/71/44/18/349714418.db2.gz JWCUDRNMYUIRAV-WDEREUQCSA-N 1 2 230.315 2.252 20 30 BEEDLO C=C(C)C[C@@H]([NH2+]Cc1cccs1)C(=O)OC ZINC000602730769 349717133 /nfs/dbraw/zinc/71/71/33/349717133.db2.gz GKFKGNOUDQZPIV-LLVKDONJSA-N 1 2 239.340 2.346 20 30 BEEDLO CC[N@@H+](Cc1cnccc1C)C[C@@H](C)C#N ZINC000353440211 136265401 /nfs/dbraw/zinc/26/54/01/136265401.db2.gz PNJAZGGBMGABHA-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1cnccc1C)C[C@@H](C)C#N ZINC000353440211 136265402 /nfs/dbraw/zinc/26/54/02/136265402.db2.gz PNJAZGGBMGABHA-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000172719846 187227303 /nfs/dbraw/zinc/22/73/03/187227303.db2.gz ULTLUJXIGQFBBA-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO CC#CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000172719846 187227305 /nfs/dbraw/zinc/22/73/05/187227305.db2.gz ULTLUJXIGQFBBA-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO C=C[C@@H]([NH2+]CC1(CC(C)C)CC1)C(=O)OC ZINC000309957512 343109496 /nfs/dbraw/zinc/10/94/96/343109496.db2.gz JDLPUKHZPYEJIJ-LLVKDONJSA-N 1 2 225.332 2.130 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc(-c2cccs2)no1 ZINC000266958200 187235840 /nfs/dbraw/zinc/23/58/40/187235840.db2.gz WCCGDDITKWZEBP-UHFFFAOYSA-N 1 2 247.323 2.253 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc(-c2cccs2)no1 ZINC000266958200 187235842 /nfs/dbraw/zinc/23/58/42/187235842.db2.gz WCCGDDITKWZEBP-UHFFFAOYSA-N 1 2 247.323 2.253 20 30 BEEDLO C=CCC1(C(=O)N(C)Cc2[nH+]ccn2C)CCC1 ZINC000276661357 187238621 /nfs/dbraw/zinc/23/86/21/187238621.db2.gz QGYVMXULJFAPPH-UHFFFAOYSA-N 1 2 247.342 2.125 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC000602869043 349799762 /nfs/dbraw/zinc/79/97/62/349799762.db2.gz FMZTVMSHIHAIGR-QMMMGPOBSA-N 1 2 243.232 2.492 20 30 BEEDLO CC[N@@H+](CCC#N)CCOc1ccccc1C#N ZINC000042450509 136272634 /nfs/dbraw/zinc/27/26/34/136272634.db2.gz WTCOEKGLFFYXSJ-UHFFFAOYSA-N 1 2 243.310 2.173 20 30 BEEDLO CC[N@H+](CCC#N)CCOc1ccccc1C#N ZINC000042450509 136272635 /nfs/dbraw/zinc/27/26/35/136272635.db2.gz WTCOEKGLFFYXSJ-UHFFFAOYSA-N 1 2 243.310 2.173 20 30 BEEDLO C=C1CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000569744123 323039509 /nfs/dbraw/zinc/03/95/09/323039509.db2.gz KEKSFMLMWCRDMR-UHFFFAOYSA-N 1 2 203.289 2.250 20 30 BEEDLO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC#N ZINC000177544817 346931668 /nfs/dbraw/zinc/93/16/68/346931668.db2.gz HRPCVPIOJUTDLF-DGCLKSJQSA-N 1 2 200.285 2.388 20 30 BEEDLO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC#N ZINC000177544817 346931671 /nfs/dbraw/zinc/93/16/71/346931671.db2.gz HRPCVPIOJUTDLF-DGCLKSJQSA-N 1 2 200.285 2.388 20 30 BEEDLO C[C@H](CC#N)[NH2+]CC#Cc1ccc(F)cc1 ZINC000602870472 349801831 /nfs/dbraw/zinc/80/18/31/349801831.db2.gz UHYXLPSQFRHRMM-LLVKDONJSA-N 1 2 216.259 2.069 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000602871663 349803438 /nfs/dbraw/zinc/80/34/38/349803438.db2.gz TVVOESRASMQYKL-QMMMGPOBSA-N 1 2 237.234 2.126 20 30 BEEDLO C=CCCCCCn1cc(C[NH2+]CC#CC)nn1 ZINC000641047243 362157520 /nfs/dbraw/zinc/15/75/20/362157520.db2.gz SRDYQVZRXLMHKO-UHFFFAOYSA-N 1 2 246.358 2.137 20 30 BEEDLO C=CC[N@H+](CCC#N)CCc1cscn1 ZINC000295253233 136290392 /nfs/dbraw/zinc/29/03/92/136290392.db2.gz WZSUSGRVRKQVGE-UHFFFAOYSA-N 1 2 221.329 2.087 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCc1cscn1 ZINC000295253233 136290393 /nfs/dbraw/zinc/29/03/93/136290393.db2.gz WZSUSGRVRKQVGE-UHFFFAOYSA-N 1 2 221.329 2.087 20 30 BEEDLO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)OC ZINC000034521766 343274292 /nfs/dbraw/zinc/27/42/92/343274292.db2.gz SRYPYPOFQDFTEX-LBPRGKRZSA-N 1 2 233.311 2.236 20 30 BEEDLO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)OC ZINC000034521766 343274293 /nfs/dbraw/zinc/27/42/93/343274293.db2.gz SRYPYPOFQDFTEX-LBPRGKRZSA-N 1 2 233.311 2.236 20 30 BEEDLO Cc1ccc(CCO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000283756371 136287062 /nfs/dbraw/zinc/28/70/62/136287062.db2.gz AJHJXGDZDYOGQD-ZDUSSCGKSA-N 1 2 248.326 2.005 20 30 BEEDLO N#Cc1ccc(C[NH+]2CCC(F)(C#N)CC2)s1 ZINC000348714341 136294399 /nfs/dbraw/zinc/29/43/99/136294399.db2.gz YKPHWXMNMVHOHD-UHFFFAOYSA-N 1 2 249.314 2.447 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)noc1C ZINC000070797215 343340961 /nfs/dbraw/zinc/34/09/61/343340961.db2.gz UBBORIQMWHKDET-SNVBAGLBSA-N 1 2 207.277 2.073 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000134973681 343343200 /nfs/dbraw/zinc/34/32/00/343343200.db2.gz RAASBRKBYGPKGM-SNVBAGLBSA-N 1 2 220.320 2.030 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC3(CCC3(F)F)C2)o1 ZINC000335656968 136306881 /nfs/dbraw/zinc/30/68/81/136306881.db2.gz QCVAILLHADVTFX-UHFFFAOYSA-N 1 2 238.237 2.382 20 30 BEEDLO Cc1cc(C[N@@H+]2CCOCC23CC3)ccc1C#N ZINC000335668403 136312294 /nfs/dbraw/zinc/31/22/94/136312294.db2.gz HIIPHYOQMQVQDP-UHFFFAOYSA-N 1 2 242.322 2.232 20 30 BEEDLO Cc1cc(C[N@H+]2CCOCC23CC3)ccc1C#N ZINC000335668403 136312295 /nfs/dbraw/zinc/31/22/95/136312295.db2.gz HIIPHYOQMQVQDP-UHFFFAOYSA-N 1 2 242.322 2.232 20 30 BEEDLO N#CCC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234334 343389018 /nfs/dbraw/zinc/38/90/18/343389018.db2.gz QAFWUXSNHZGYQK-CQSZACIVSA-N 1 2 230.311 2.364 20 30 BEEDLO N#CCC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234334 343389021 /nfs/dbraw/zinc/38/90/21/343389021.db2.gz QAFWUXSNHZGYQK-CQSZACIVSA-N 1 2 230.311 2.364 20 30 BEEDLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000335680501 136328589 /nfs/dbraw/zinc/32/85/89/136328589.db2.gz VDFJHKBWOXGRLP-WDEREUQCSA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000335680501 136328590 /nfs/dbraw/zinc/32/85/90/136328590.db2.gz VDFJHKBWOXGRLP-WDEREUQCSA-N 1 2 249.383 2.144 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1ccsc1 ZINC000070846109 343513401 /nfs/dbraw/zinc/51/34/01/343513401.db2.gz BPTKZMMBQFBYKR-UHFFFAOYSA-N 1 2 224.329 2.110 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1ccsc1 ZINC000070846109 343513402 /nfs/dbraw/zinc/51/34/02/343513402.db2.gz BPTKZMMBQFBYKR-UHFFFAOYSA-N 1 2 224.329 2.110 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(CC)no1 ZINC000683793210 488223731 /nfs/dbraw/zinc/22/37/31/488223731.db2.gz UPRODSNPDFEMAJ-SNVBAGLBSA-N 1 2 221.304 2.173 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(CC)no1 ZINC000683793210 488223734 /nfs/dbraw/zinc/22/37/34/488223734.db2.gz UPRODSNPDFEMAJ-SNVBAGLBSA-N 1 2 221.304 2.173 20 30 BEEDLO C#CC[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000379972873 365770233 /nfs/dbraw/zinc/77/02/33/365770233.db2.gz CAPCOLPPIJNEBD-JTQLQIEISA-N 1 2 244.121 2.250 20 30 BEEDLO C=CCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421575183 192363921 /nfs/dbraw/zinc/36/39/21/192363921.db2.gz JCFJHDYEOONEGT-UHFFFAOYSA-N 1 2 218.300 2.281 20 30 BEEDLO Cc1cc(CNC(=O)CCCC#N)cc(C)[nH+]1 ZINC000421575259 192364074 /nfs/dbraw/zinc/36/40/74/192364074.db2.gz JKDQJWWWQYHGME-UHFFFAOYSA-N 1 2 231.299 2.009 20 30 BEEDLO CCc1nocc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981615 349831794 /nfs/dbraw/zinc/83/17/94/349831794.db2.gz GSXJCTTXVLABBV-ZWNOBZJWSA-N 1 2 233.315 2.361 20 30 BEEDLO CCc1nocc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981615 349831796 /nfs/dbraw/zinc/83/17/96/349831796.db2.gz GSXJCTTXVLABBV-ZWNOBZJWSA-N 1 2 233.315 2.361 20 30 BEEDLO CCc1nocc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981612 349831800 /nfs/dbraw/zinc/83/18/00/349831800.db2.gz GSXJCTTXVLABBV-GWCFXTLKSA-N 1 2 233.315 2.361 20 30 BEEDLO CCc1nocc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981612 349831802 /nfs/dbraw/zinc/83/18/02/349831802.db2.gz GSXJCTTXVLABBV-GWCFXTLKSA-N 1 2 233.315 2.361 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cn1 ZINC000602977636 349842322 /nfs/dbraw/zinc/84/23/22/349842322.db2.gz DSTBVGAJRDEMFA-STQMWFEESA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cn1 ZINC000602977636 349842325 /nfs/dbraw/zinc/84/23/25/349842325.db2.gz DSTBVGAJRDEMFA-STQMWFEESA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000602977633 349842452 /nfs/dbraw/zinc/84/24/52/349842452.db2.gz DSTBVGAJRDEMFA-CHWSQXEVSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000602977633 349842454 /nfs/dbraw/zinc/84/24/54/349842454.db2.gz DSTBVGAJRDEMFA-CHWSQXEVSA-N 1 2 245.326 2.214 20 30 BEEDLO Cc1noc(C)c1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602976170 349840178 /nfs/dbraw/zinc/84/01/78/349840178.db2.gz MDNRXUKBQLKIRR-WCQYABFASA-N 1 2 233.315 2.416 20 30 BEEDLO Cc1noc(C)c1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602976170 349840180 /nfs/dbraw/zinc/84/01/80/349840180.db2.gz MDNRXUKBQLKIRR-WCQYABFASA-N 1 2 233.315 2.416 20 30 BEEDLO CC(C)[C@H](Nc1cccc(C#N)n1)c1[nH]cc[nH+]1 ZINC000291196093 187348173 /nfs/dbraw/zinc/34/81/73/187348173.db2.gz TXOIKWIJFMNECD-LBPRGKRZSA-N 1 2 241.298 2.486 20 30 BEEDLO C[C@H](c1cccnc1)[N@@H+](C)C[C@H](C)C#N ZINC000064798472 343763658 /nfs/dbraw/zinc/76/36/58/343763658.db2.gz LFFQDJRHLDSZPO-GHMZBOCLSA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@H](c1cccnc1)[N@H+](C)C[C@H](C)C#N ZINC000064798472 343763661 /nfs/dbraw/zinc/76/36/61/343763661.db2.gz LFFQDJRHLDSZPO-GHMZBOCLSA-N 1 2 203.289 2.234 20 30 BEEDLO Cc1c(C#N)cccc1NCc1c[nH+]cn1C ZINC000179054363 346971744 /nfs/dbraw/zinc/97/17/44/346971744.db2.gz XDOALSDMBRIVDS-UHFFFAOYSA-N 1 2 226.283 2.212 20 30 BEEDLO C=CC(C)(C)CCNc1cc(CC)[nH+]cn1 ZINC000624431972 343854439 /nfs/dbraw/zinc/85/44/39/343854439.db2.gz KNYFPCVUQGKIOK-UHFFFAOYSA-N 1 2 219.332 2.475 20 30 BEEDLO N#Cc1cc(C[N@H+]2CC[C@H](F)C2)ccc1F ZINC000334811615 343909549 /nfs/dbraw/zinc/90/95/49/343909549.db2.gz OCLRUQCLHQKWKE-NSHDSACASA-N 1 2 222.238 2.241 20 30 BEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1F ZINC000334811615 343909553 /nfs/dbraw/zinc/90/95/53/343909553.db2.gz OCLRUQCLHQKWKE-NSHDSACASA-N 1 2 222.238 2.241 20 30 BEEDLO Cc1cc(N[C@@H]2C[C@H]2c2ccco2)c(C#N)c[nH+]1 ZINC000335113609 343928514 /nfs/dbraw/zinc/92/85/14/343928514.db2.gz BWAYAKKKOSKJES-DGCLKSJQSA-N 1 2 239.278 2.245 20 30 BEEDLO C=C(C)CN(CC)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628119215 343970455 /nfs/dbraw/zinc/97/04/55/343970455.db2.gz HPFGGBQEFWOFGP-UHFFFAOYSA-N 1 2 207.321 2.425 20 30 BEEDLO C=CCN(CC=C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628119020 343969907 /nfs/dbraw/zinc/96/99/07/343969907.db2.gz WNBBDHQSUWTYRE-UHFFFAOYSA-N 1 2 205.305 2.201 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](CC)c1nccn1C ZINC000132266197 344295594 /nfs/dbraw/zinc/29/55/94/344295594.db2.gz LFIDHPQVSYTDEU-SECBINFHSA-N 1 2 213.712 2.213 20 30 BEEDLO CCN(Cc1cc(OC)cc[nH+]1)C[C@H](C)C#N ZINC000106933880 347039638 /nfs/dbraw/zinc/03/96/38/347039638.db2.gz OHLBOECASLWSEM-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CCOCC12CCC2 ZINC000135522645 344531663 /nfs/dbraw/zinc/53/16/63/344531663.db2.gz DSVJJFUCRFADGH-UHFFFAOYSA-N 1 2 242.322 2.313 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CCOCC12CCC2 ZINC000135522645 344531665 /nfs/dbraw/zinc/53/16/65/344531665.db2.gz DSVJJFUCRFADGH-UHFFFAOYSA-N 1 2 242.322 2.313 20 30 BEEDLO CC[N@H+](CCc1ccccc1)[C@H](C)C#N ZINC000181558716 347064655 /nfs/dbraw/zinc/06/46/55/347064655.db2.gz DNRYRMDLTUEZHR-GFCCVEGCSA-N 1 2 202.301 2.463 20 30 BEEDLO CC[N@@H+](CCc1ccccc1)[C@H](C)C#N ZINC000181558716 347064660 /nfs/dbraw/zinc/06/46/60/347064660.db2.gz DNRYRMDLTUEZHR-GFCCVEGCSA-N 1 2 202.301 2.463 20 30 BEEDLO C=CCC[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000075886965 344786520 /nfs/dbraw/zinc/78/65/20/344786520.db2.gz APJWURWGGWMWPJ-JTQLQIEISA-N 1 2 239.319 2.175 20 30 BEEDLO C=CCC[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000075886965 344786525 /nfs/dbraw/zinc/78/65/25/344786525.db2.gz APJWURWGGWMWPJ-JTQLQIEISA-N 1 2 239.319 2.175 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000119098515 344839112 /nfs/dbraw/zinc/83/91/12/344839112.db2.gz DMBOMTCVIXTQPI-UHFFFAOYSA-N 1 2 232.331 2.152 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000119098515 344839113 /nfs/dbraw/zinc/83/91/13/344839113.db2.gz DMBOMTCVIXTQPI-UHFFFAOYSA-N 1 2 232.331 2.152 20 30 BEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641548518 362496014 /nfs/dbraw/zinc/49/60/14/362496014.db2.gz LUEHGTBBCWSTBB-ZWNOBZJWSA-N 1 2 236.290 2.036 20 30 BEEDLO CC#CC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000157804909 187297733 /nfs/dbraw/zinc/29/77/33/187297733.db2.gz GCZJRWMZCIWKFN-ZFWWWQNUSA-N 1 2 229.323 2.472 20 30 BEEDLO CC#CC[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000157804909 187297735 /nfs/dbraw/zinc/29/77/35/187297735.db2.gz GCZJRWMZCIWKFN-ZFWWWQNUSA-N 1 2 229.323 2.472 20 30 BEEDLO C=CC[C@H](CC)Nc1cc(CO)cc[nH+]1 ZINC000641554998 362498878 /nfs/dbraw/zinc/49/88/78/362498878.db2.gz WRGPTDQNXUYOGC-NSHDSACASA-N 1 2 206.289 2.341 20 30 BEEDLO C=CC[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641657495 362581323 /nfs/dbraw/zinc/58/13/23/362581323.db2.gz VOADDRUJEDJYPY-LBPRGKRZSA-N 1 2 232.327 2.366 20 30 BEEDLO CC(C)(C#N)CC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000353268592 534989042 /nfs/dbraw/zinc/98/90/42/534989042.db2.gz RYLBUFFHSHLDKF-JTQLQIEISA-N 1 2 246.301 2.282 20 30 BEEDLO CC(C)(C#N)CC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000353268592 534989046 /nfs/dbraw/zinc/98/90/46/534989046.db2.gz RYLBUFFHSHLDKF-JTQLQIEISA-N 1 2 246.301 2.282 20 30 BEEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)[C@H](C)CO1 ZINC000126902095 345145966 /nfs/dbraw/zinc/14/59/66/345145966.db2.gz QWZGZZDJROAQQR-CHWSQXEVSA-N 1 2 247.313 2.286 20 30 BEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)[C@H](C)CO1 ZINC000126902095 345145969 /nfs/dbraw/zinc/14/59/69/345145969.db2.gz QWZGZZDJROAQQR-CHWSQXEVSA-N 1 2 247.313 2.286 20 30 BEEDLO C=CCC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC000562630112 345424626 /nfs/dbraw/zinc/42/46/26/345424626.db2.gz SDNIPFBEYKNMGM-UHFFFAOYSA-N 1 2 247.342 2.278 20 30 BEEDLO CC[N@H+](CCC#N)[C@@H](C)c1cccnc1 ZINC000081039836 345458967 /nfs/dbraw/zinc/45/89/67/345458967.db2.gz ADKNYOZWJJVWAO-NSHDSACASA-N 1 2 203.289 2.378 20 30 BEEDLO CC[N@@H+](CCC#N)[C@@H](C)c1cccnc1 ZINC000081039836 345458968 /nfs/dbraw/zinc/45/89/68/345458968.db2.gz ADKNYOZWJJVWAO-NSHDSACASA-N 1 2 203.289 2.378 20 30 BEEDLO CCN(CCC#N)Cc1cn2c(cccc2C)[nH+]1 ZINC000081515265 345482162 /nfs/dbraw/zinc/48/21/62/345482162.db2.gz YEAWZVFZTSVZRK-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO CC(C)([NH2+][C@@H]1CC[C@H](C#N)C1)C(F)F ZINC000307655085 345878219 /nfs/dbraw/zinc/87/82/19/345878219.db2.gz WLYNAMSBLYAPIQ-JGVFFNPUSA-N 1 2 202.248 2.312 20 30 BEEDLO C=C[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635676876 345971458 /nfs/dbraw/zinc/97/14/58/345971458.db2.gz ZGKNJMANXQFLST-RYUDHWBXSA-N 1 2 235.331 2.161 20 30 BEEDLO C=CCC(C)(C)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635960934 346133798 /nfs/dbraw/zinc/13/37/98/346133798.db2.gz ZKHAMQRDQALIFK-UHFFFAOYSA-N 1 2 249.358 2.233 20 30 BEEDLO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(F)F ZINC000603428294 349950595 /nfs/dbraw/zinc/95/05/95/349950595.db2.gz GQTPKMVLOSMRHK-YIZRAAEISA-N 1 2 202.248 2.312 20 30 BEEDLO CCC[N@H+](CC#N)C[C@@H](CC(C)C)OC ZINC000419209574 192104152 /nfs/dbraw/zinc/10/41/52/192104152.db2.gz SXTQTEOHNIROTP-GFCCVEGCSA-N 1 2 212.337 2.283 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@@H](CC(C)C)OC ZINC000419209574 192104154 /nfs/dbraw/zinc/10/41/54/192104154.db2.gz SXTQTEOHNIROTP-GFCCVEGCSA-N 1 2 212.337 2.283 20 30 BEEDLO Cc1cc(NC(=O)CCCCCC#N)cc[nH+]1 ZINC000588263223 346652512 /nfs/dbraw/zinc/65/25/12/346652512.db2.gz JKBPUGKAXRGHOW-UHFFFAOYSA-N 1 2 231.299 2.225 20 30 BEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc[nH]1 ZINC000589159780 346670096 /nfs/dbraw/zinc/67/00/96/346670096.db2.gz SCUZHVUREWAPPV-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc[nH]1 ZINC000589159780 346670098 /nfs/dbraw/zinc/67/00/98/346670098.db2.gz SCUZHVUREWAPPV-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO CCC(=O)Nc1cccc(C[NH2+]CCC#N)c1 ZINC000580640672 365838313 /nfs/dbraw/zinc/83/83/13/365838313.db2.gz FCBSDLWTIDFYFY-UHFFFAOYSA-N 1 2 231.299 2.038 20 30 BEEDLO Cc1nc(C)c(C[N@@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000589258819 346680457 /nfs/dbraw/zinc/68/04/57/346680457.db2.gz VJSXENORZOVDSG-ZDUSSCGKSA-N 1 2 233.315 2.417 20 30 BEEDLO Cc1nc(C)c(C[N@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000589258819 346680461 /nfs/dbraw/zinc/68/04/61/346680461.db2.gz VJSXENORZOVDSG-ZDUSSCGKSA-N 1 2 233.315 2.417 20 30 BEEDLO CCN1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186289248 347231020 /nfs/dbraw/zinc/23/10/20/347231020.db2.gz GMGLALIGXONDOO-ZDUSSCGKSA-N 1 2 243.354 2.257 20 30 BEEDLO Cn1cc(C[N@H+](CCC#N)CC2CC2)cc1C#N ZINC000191324875 347349539 /nfs/dbraw/zinc/34/95/39/347349539.db2.gz QAMNCDDGQNUJRG-UHFFFAOYSA-N 1 2 242.326 2.022 20 30 BEEDLO Cn1cc(C[N@@H+](CCC#N)CC2CC2)cc1C#N ZINC000191324875 347349542 /nfs/dbraw/zinc/34/95/42/347349542.db2.gz QAMNCDDGQNUJRG-UHFFFAOYSA-N 1 2 242.326 2.022 20 30 BEEDLO CC[C@H](C#N)[NH2+][C@H](CCOC)C(C)(C)C ZINC000336768426 347443182 /nfs/dbraw/zinc/44/31/82/347443182.db2.gz UDHLYSHKDJAFOY-GHMZBOCLSA-N 1 2 212.337 2.329 20 30 BEEDLO C[C@@H]1C[C@H](Nc2ncccc2C#N)c2[nH+]ccn21 ZINC000590723745 347494060 /nfs/dbraw/zinc/49/40/60/347494060.db2.gz ZACQZIOVHRRWFH-KOLCDFICSA-N 1 2 239.282 2.268 20 30 BEEDLO C=CC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000336293281 347463275 /nfs/dbraw/zinc/46/32/75/347463275.db2.gz BWIZJMSKIRWYDZ-CYBMUJFWSA-N 1 2 221.275 2.385 20 30 BEEDLO C=CC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000336293281 347463277 /nfs/dbraw/zinc/46/32/77/347463277.db2.gz BWIZJMSKIRWYDZ-CYBMUJFWSA-N 1 2 221.275 2.385 20 30 BEEDLO CC1(C#N)C[NH+](C[C@@H]2CCOc3ccccc32)C1 ZINC000590967894 347596744 /nfs/dbraw/zinc/59/67/44/347596744.db2.gz QQENHXFVQUBUKW-LBPRGKRZSA-N 1 2 242.322 2.398 20 30 BEEDLO N#CCC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000591018849 347607428 /nfs/dbraw/zinc/60/74/28/347607428.db2.gz SFDYVKLYTQSMSA-CQSZACIVSA-N 1 2 240.310 2.128 20 30 BEEDLO N#CCC[C@@H](C#N)C[NH2+]CC#Cc1ccccc1 ZINC000591723892 347689036 /nfs/dbraw/zinc/68/90/36/347689036.db2.gz PEVDHAOXZFZMBR-HNNXBMFYSA-N 1 2 237.306 2.071 20 30 BEEDLO CCOc1ccc2c(c1)[C@@H]([NH2+]CCC#N)CCO2 ZINC000591761029 347692646 /nfs/dbraw/zinc/69/26/46/347692646.db2.gz CRSRJXJOUCRMDB-ZDUSSCGKSA-N 1 2 246.310 2.412 20 30 BEEDLO CC(C)c1cc(C[NH2+]C[C@@H](C#N)CCC#N)on1 ZINC000591742522 347694678 /nfs/dbraw/zinc/69/46/78/347694678.db2.gz VVZZTFYNWBJPGB-LLVKDONJSA-N 1 2 246.314 2.331 20 30 BEEDLO CC(C)c1cc(C[NH2+]C[C@H](C#N)CCC#N)on1 ZINC000591742523 347694909 /nfs/dbraw/zinc/69/49/09/347694909.db2.gz VVZZTFYNWBJPGB-NSHDSACASA-N 1 2 246.314 2.331 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C(=O)OC ZINC000592446141 347780521 /nfs/dbraw/zinc/78/05/21/347780521.db2.gz WRHZWZHHTOXWKV-MGPQQGTHSA-N 1 2 245.322 2.107 20 30 BEEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCCC(F)(F)C2)C1 ZINC000593052204 347853007 /nfs/dbraw/zinc/85/30/07/347853007.db2.gz HCESHYQOVQEKDL-UWVGGRQHSA-N 1 2 214.259 2.410 20 30 BEEDLO N#C[C@H]1CC[C@H]([N@H+]2CCCC(F)(F)C2)C1 ZINC000593052204 347853008 /nfs/dbraw/zinc/85/30/08/347853008.db2.gz HCESHYQOVQEKDL-UWVGGRQHSA-N 1 2 214.259 2.410 20 30 BEEDLO N#CCC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593054196 347853041 /nfs/dbraw/zinc/85/30/41/347853041.db2.gz HEJCUAHJFLMNEP-UHFFFAOYSA-N 1 2 236.212 2.266 20 30 BEEDLO COCc1cc[nH+]c(N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000593698520 347930703 /nfs/dbraw/zinc/93/07/03/347930703.db2.gz RIJGGWQEEVREEK-PWSUYJOCSA-N 1 2 231.299 2.332 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C2(CCC2)CO1 ZINC000593679895 347932361 /nfs/dbraw/zinc/93/23/61/347932361.db2.gz QKGNXPUJIVEPAD-LLVKDONJSA-N 1 2 246.310 2.295 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C2(CCC2)CO1 ZINC000593679895 347932363 /nfs/dbraw/zinc/93/23/63/347932363.db2.gz QKGNXPUJIVEPAD-LLVKDONJSA-N 1 2 246.310 2.295 20 30 BEEDLO Cc1cc(NC2C[C@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000577366732 365934981 /nfs/dbraw/zinc/93/49/81/365934981.db2.gz DQEMJWCEXPLPCW-QWRGUYRKSA-N 1 2 245.326 2.052 20 30 BEEDLO N#Cc1ccc(C[NH2+]CC2(C#N)CCCC2)o1 ZINC000593652847 347921431 /nfs/dbraw/zinc/92/14/31/347921431.db2.gz RAWBKKWSGGWZLN-UHFFFAOYSA-N 1 2 229.283 2.325 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ccncc1Cl ZINC000491662800 490117154 /nfs/dbraw/zinc/11/71/54/490117154.db2.gz GBIXNAKBZMAIOR-VIFPVBQESA-N 1 2 208.692 2.189 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccncc1Cl ZINC000491662800 490117161 /nfs/dbraw/zinc/11/71/61/490117161.db2.gz GBIXNAKBZMAIOR-VIFPVBQESA-N 1 2 208.692 2.189 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccncc1Cl ZINC000491662797 490117193 /nfs/dbraw/zinc/11/71/93/490117193.db2.gz GBIXNAKBZMAIOR-SECBINFHSA-N 1 2 208.692 2.189 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccncc1Cl ZINC000491662797 490117199 /nfs/dbraw/zinc/11/71/99/490117199.db2.gz GBIXNAKBZMAIOR-SECBINFHSA-N 1 2 208.692 2.189 20 30 BEEDLO CC(C)Oc1cc[nH+]c(CN2CC(C)(C#N)C2)c1 ZINC000593980717 347986958 /nfs/dbraw/zinc/98/69/58/347986958.db2.gz OARHEVYOWDZKHJ-UHFFFAOYSA-N 1 2 245.326 2.214 20 30 BEEDLO C[C@@H]([NH2+]CC#N)C1CCC(F)(F)CC1 ZINC000594042713 347994802 /nfs/dbraw/zinc/99/48/02/347994802.db2.gz CMXMGYFAHPBWSK-MRVPVSSYSA-N 1 2 202.248 2.314 20 30 BEEDLO C[C@H]([NH2+]CC#N)C1CCC(F)(F)CC1 ZINC000594042714 347995626 /nfs/dbraw/zinc/99/56/26/347995626.db2.gz CMXMGYFAHPBWSK-QMMMGPOBSA-N 1 2 202.248 2.314 20 30 BEEDLO C[C@H]1C[N@H+](CCC#N)CC2(CCCCC2)O1 ZINC000594057508 347996407 /nfs/dbraw/zinc/99/64/07/347996407.db2.gz GFYPVRWMMDLSSJ-LBPRGKRZSA-N 1 2 222.332 2.324 20 30 BEEDLO C[C@H]1C[N@@H+](CCC#N)CC2(CCCCC2)O1 ZINC000594057508 347996409 /nfs/dbraw/zinc/99/64/09/347996409.db2.gz GFYPVRWMMDLSSJ-LBPRGKRZSA-N 1 2 222.332 2.324 20 30 BEEDLO C[C@@H]1C[N@H+](CCC#N)CC2(CCCCC2)O1 ZINC000594057507 347996565 /nfs/dbraw/zinc/99/65/65/347996565.db2.gz GFYPVRWMMDLSSJ-GFCCVEGCSA-N 1 2 222.332 2.324 20 30 BEEDLO C[C@@H]1C[N@@H+](CCC#N)CC2(CCCCC2)O1 ZINC000594057507 347996566 /nfs/dbraw/zinc/99/65/66/347996566.db2.gz GFYPVRWMMDLSSJ-GFCCVEGCSA-N 1 2 222.332 2.324 20 30 BEEDLO COc1c(C)[nH+]cnc1N[C@H]1CC[C@@H](CC#N)C1 ZINC000594583374 348077044 /nfs/dbraw/zinc/07/70/44/348077044.db2.gz JZOUCSYYNXELLT-QWRGUYRKSA-N 1 2 246.314 2.288 20 30 BEEDLO C=CCC[NH2+][C@H](Cc1ccccc1)C(=O)OCC ZINC000594711009 348104355 /nfs/dbraw/zinc/10/43/55/348104355.db2.gz KXGFVOZGLKELAT-CQSZACIVSA-N 1 2 247.338 2.327 20 30 BEEDLO C=C1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC000594754339 348111458 /nfs/dbraw/zinc/11/14/58/348111458.db2.gz QZAFIMMVWAFASI-VIFPVBQESA-N 1 2 207.277 2.091 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cscn1 ZINC000594966219 348160474 /nfs/dbraw/zinc/16/04/74/348160474.db2.gz QUXHXDQLEIMTEC-MRVPVSSYSA-N 1 2 233.296 2.459 20 30 BEEDLO N#CC[N@@H+](CCO[C@H]1CC1(F)F)C1CCCC1 ZINC000595329442 348227576 /nfs/dbraw/zinc/22/75/76/348227576.db2.gz SMFKQZVSVLNSLQ-NSHDSACASA-N 1 2 244.285 2.179 20 30 BEEDLO N#CC[N@H+](CCO[C@H]1CC1(F)F)C1CCCC1 ZINC000595329442 348227578 /nfs/dbraw/zinc/22/75/78/348227578.db2.gz SMFKQZVSVLNSLQ-NSHDSACASA-N 1 2 244.285 2.179 20 30 BEEDLO CCc1nnc([C@@H](C)[NH+]2CCC(CC#N)CC2)[nH]1 ZINC000595425057 348246353 /nfs/dbraw/zinc/24/63/53/348246353.db2.gz JYEGIGSHXOLJME-SNVBAGLBSA-N 1 2 247.346 2.054 20 30 BEEDLO CO[C@H](C[NH+]1CC(C)(C#N)C1)C1CCCCC1 ZINC000595466903 348258562 /nfs/dbraw/zinc/25/85/62/348258562.db2.gz PNQOZBYPPLLVHU-CYBMUJFWSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@H](O)C[C@H]1CCC[N@@H+]1[C@@H](C#N)c1ccccc1 ZINC000595396425 348237559 /nfs/dbraw/zinc/23/75/59/348237559.db2.gz LRYFIRJQPIFRLZ-CFVMTHIKSA-N 1 2 244.338 2.487 20 30 BEEDLO C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H](C#N)c1ccccc1 ZINC000595396425 348237560 /nfs/dbraw/zinc/23/75/60/348237560.db2.gz LRYFIRJQPIFRLZ-CFVMTHIKSA-N 1 2 244.338 2.487 20 30 BEEDLO CC[C@@H](C[N@@H+]1CCCC(C)(C)[C@@H]1C#N)OC ZINC000419303849 192119681 /nfs/dbraw/zinc/11/96/81/192119681.db2.gz INIDOORFHYZWEK-RYUDHWBXSA-N 1 2 224.348 2.426 20 30 BEEDLO CC[C@@H](C[N@H+]1CCCC(C)(C)[C@@H]1C#N)OC ZINC000419303849 192119682 /nfs/dbraw/zinc/11/96/82/192119682.db2.gz INIDOORFHYZWEK-RYUDHWBXSA-N 1 2 224.348 2.426 20 30 BEEDLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595613301 348288097 /nfs/dbraw/zinc/28/80/97/348288097.db2.gz AIXTYQYBMLFDOJ-MNOVXSKESA-N 1 2 248.330 2.319 20 30 BEEDLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595613301 348288100 /nfs/dbraw/zinc/28/81/00/348288100.db2.gz AIXTYQYBMLFDOJ-MNOVXSKESA-N 1 2 248.330 2.319 20 30 BEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2ccco2)CC1 ZINC000595615433 348289211 /nfs/dbraw/zinc/28/92/11/348289211.db2.gz MPPKWYVRTCGFKF-GFCCVEGCSA-N 1 2 249.310 2.187 20 30 BEEDLO CC[C@H](C[N@@H+]1CCCC(C)(C)[C@@H]1C#N)OC ZINC000419303847 192120652 /nfs/dbraw/zinc/12/06/52/192120652.db2.gz INIDOORFHYZWEK-NEPJUHHUSA-N 1 2 224.348 2.426 20 30 BEEDLO CC[C@H](C[N@H+]1CCCC(C)(C)[C@@H]1C#N)OC ZINC000419303847 192120653 /nfs/dbraw/zinc/12/06/53/192120653.db2.gz INIDOORFHYZWEK-NEPJUHHUSA-N 1 2 224.348 2.426 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCOCC1CCC1 ZINC000419282233 192122207 /nfs/dbraw/zinc/12/22/07/192122207.db2.gz QQUBITGEPWXMGJ-UHFFFAOYSA-N 1 2 222.332 2.205 20 30 BEEDLO C=CC[N@H+](CCC#N)CCOCC1CCC1 ZINC000419282233 192122209 /nfs/dbraw/zinc/12/22/09/192122209.db2.gz QQUBITGEPWXMGJ-UHFFFAOYSA-N 1 2 222.332 2.205 20 30 BEEDLO COc1ccncc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000595688139 348313968 /nfs/dbraw/zinc/31/39/68/348313968.db2.gz GUASITOCAODJHJ-AAEUAGOBSA-N 1 2 245.326 2.262 20 30 BEEDLO COCCSCCC[N@H+]([C@@H](C)C#N)C1CC1 ZINC000595709093 348320322 /nfs/dbraw/zinc/32/03/22/348320322.db2.gz CUXFUSBNLLMCCM-NSHDSACASA-N 1 2 242.388 2.133 20 30 BEEDLO COCCSCCC[N@@H+]([C@@H](C)C#N)C1CC1 ZINC000595709093 348320324 /nfs/dbraw/zinc/32/03/24/348320324.db2.gz CUXFUSBNLLMCCM-NSHDSACASA-N 1 2 242.388 2.133 20 30 BEEDLO CCOC1CC(C[N@H+]([C@H](C)C#N)C2CC2)C1 ZINC000595710579 348322477 /nfs/dbraw/zinc/32/24/77/348322477.db2.gz UBDSBTMIEFTJFV-XSRFYTQQSA-N 1 2 222.332 2.178 20 30 BEEDLO CCOC1CC(C[N@@H+]([C@H](C)C#N)C2CC2)C1 ZINC000595710579 348322481 /nfs/dbraw/zinc/32/24/81/348322481.db2.gz UBDSBTMIEFTJFV-XSRFYTQQSA-N 1 2 222.332 2.178 20 30 BEEDLO CCN(Cc1cn2c(cccc2C)[nH+]1)[C@H](C)C#N ZINC000595812164 348351793 /nfs/dbraw/zinc/35/17/93/348351793.db2.gz CVLFXPZSCLBQBX-GFCCVEGCSA-N 1 2 242.326 2.377 20 30 BEEDLO C=CCCCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000595775055 348338015 /nfs/dbraw/zinc/33/80/15/348338015.db2.gz ZVHIFKKQGHUMOS-GFCCVEGCSA-N 1 2 231.311 2.224 20 30 BEEDLO CC[N@H+](CCc1ccc2c(c1)CCO2)[C@@H](C)C#N ZINC000595813102 348353046 /nfs/dbraw/zinc/35/30/46/348353046.db2.gz KSSXEBHYOOUCAY-LBPRGKRZSA-N 1 2 244.338 2.398 20 30 BEEDLO CC[N@@H+](CCc1ccc2c(c1)CCO2)[C@@H](C)C#N ZINC000595813102 348353049 /nfs/dbraw/zinc/35/30/49/348353049.db2.gz KSSXEBHYOOUCAY-LBPRGKRZSA-N 1 2 244.338 2.398 20 30 BEEDLO CCOC(=O)CCCCC[N@H+](CC)[C@H](C)C#N ZINC000595814533 348342939 /nfs/dbraw/zinc/34/29/39/348342939.db2.gz VSJUDAUHRFQVMA-GFCCVEGCSA-N 1 2 240.347 2.344 20 30 BEEDLO CCOC(=O)CCCCC[N@@H+](CC)[C@H](C)C#N ZINC000595814533 348342943 /nfs/dbraw/zinc/34/29/43/348342943.db2.gz VSJUDAUHRFQVMA-GFCCVEGCSA-N 1 2 240.347 2.344 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000595838065 348371944 /nfs/dbraw/zinc/37/19/44/348371944.db2.gz QCZHJVACWNBLDQ-CQSZACIVSA-N 1 2 243.285 2.433 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000595838065 348371946 /nfs/dbraw/zinc/37/19/46/348371946.db2.gz QCZHJVACWNBLDQ-CQSZACIVSA-N 1 2 243.285 2.433 20 30 BEEDLO C[C@H](c1ccccn1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840337 348373448 /nfs/dbraw/zinc/37/34/48/348373448.db2.gz NTAVHSOQZGHXPD-DGCLKSJQSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1ccccn1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840337 348373450 /nfs/dbraw/zinc/37/34/50/348373450.db2.gz NTAVHSOQZGHXPD-DGCLKSJQSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@]1(C#N)CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000595841206 348376135 /nfs/dbraw/zinc/37/61/35/348376135.db2.gz SPUXXOHYFOOOSA-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000595841206 348376139 /nfs/dbraw/zinc/37/61/39/348376139.db2.gz SPUXXOHYFOOOSA-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000595841206 348376142 /nfs/dbraw/zinc/37/61/42/348376142.db2.gz SPUXXOHYFOOOSA-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO CC[N@H+](CCC(=O)Nc1ccccc1)[C@H](C)C#N ZINC000595813869 348353190 /nfs/dbraw/zinc/35/31/90/348353190.db2.gz XOBHPCNDRDYBRD-GFCCVEGCSA-N 1 2 245.326 2.249 20 30 BEEDLO CC[N@@H+](CCC(=O)Nc1ccccc1)[C@H](C)C#N ZINC000595813869 348353191 /nfs/dbraw/zinc/35/31/91/348353191.db2.gz XOBHPCNDRDYBRD-GFCCVEGCSA-N 1 2 245.326 2.249 20 30 BEEDLO CC[N@H+](C[C@@H](CC(C)C)OC)[C@@H](C)C#N ZINC000595818470 348358391 /nfs/dbraw/zinc/35/83/91/348358391.db2.gz NUHJECQPSROQKL-NWDGAFQWSA-N 1 2 212.337 2.281 20 30 BEEDLO CC[N@@H+](C[C@@H](CC(C)C)OC)[C@@H](C)C#N ZINC000595818470 348358393 /nfs/dbraw/zinc/35/83/93/348358393.db2.gz NUHJECQPSROQKL-NWDGAFQWSA-N 1 2 212.337 2.281 20 30 BEEDLO CC[N@H+](C[C@@H](OC)C1CCCC1)[C@@H](C)C#N ZINC000595818960 348359448 /nfs/dbraw/zinc/35/94/48/348359448.db2.gz QMINNSLHVTWHBC-WCQYABFASA-N 1 2 224.348 2.426 20 30 BEEDLO CC[N@@H+](C[C@@H](OC)C1CCCC1)[C@@H](C)C#N ZINC000595818960 348359452 /nfs/dbraw/zinc/35/94/52/348359452.db2.gz QMINNSLHVTWHBC-WCQYABFASA-N 1 2 224.348 2.426 20 30 BEEDLO CCOC1CC(C[N@H+](CC)[C@H](C)C#N)C1 ZINC000595819481 348359552 /nfs/dbraw/zinc/35/95/52/348359552.db2.gz BMSDJOMIKKHXBC-VOMCLLRMSA-N 1 2 210.321 2.035 20 30 BEEDLO CCOC1CC(C[N@@H+](CC)[C@H](C)C#N)C1 ZINC000595819481 348359555 /nfs/dbraw/zinc/35/95/55/348359555.db2.gz BMSDJOMIKKHXBC-VOMCLLRMSA-N 1 2 210.321 2.035 20 30 BEEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595827785 348363870 /nfs/dbraw/zinc/36/38/70/348363870.db2.gz QZZYOABRKHKWTH-RBSFLKMASA-N 1 2 242.322 2.220 20 30 BEEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595827785 348363872 /nfs/dbraw/zinc/36/38/72/348363872.db2.gz QZZYOABRKHKWTH-RBSFLKMASA-N 1 2 242.322 2.220 20 30 BEEDLO N#CC1(C[NH+]2CCC(c3ccon3)CC2)CC1 ZINC000595828830 348364760 /nfs/dbraw/zinc/36/47/60/348364760.db2.gz NTOATFPQGKLBDM-UHFFFAOYSA-N 1 2 231.299 2.158 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595832292 348365518 /nfs/dbraw/zinc/36/55/18/348365518.db2.gz ACWJIAMCYKJVBB-CYBMUJFWSA-N 1 2 245.282 2.330 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595832292 348365520 /nfs/dbraw/zinc/36/55/20/348365520.db2.gz ACWJIAMCYKJVBB-CYBMUJFWSA-N 1 2 245.282 2.330 20 30 BEEDLO CCC[C@@H]([NH2+]CC(C)(C)CC#N)C(=O)OCC ZINC000419346855 192125439 /nfs/dbraw/zinc/12/54/39/192125439.db2.gz IXVKPUOTUCFURE-LLVKDONJSA-N 1 2 240.347 2.248 20 30 BEEDLO C=C(C)CN(CC)c1cc(CC(=O)OC)cc[nH+]1 ZINC000596074274 348438326 /nfs/dbraw/zinc/43/83/26/348438326.db2.gz DDOJNDDZVNEXMO-UHFFFAOYSA-N 1 2 248.326 2.200 20 30 BEEDLO C=C(CC)CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596261356 348478158 /nfs/dbraw/zinc/47/81/58/348478158.db2.gz FODCBOWMHUQMPO-UHFFFAOYSA-N 1 2 234.299 2.175 20 30 BEEDLO C[C@@H](CC#N)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000597010861 348649820 /nfs/dbraw/zinc/64/98/20/348649820.db2.gz XTTYKCJOVDTMDL-QWRGUYRKSA-N 1 2 246.314 2.013 20 30 BEEDLO CC[N@@H+](Cc1c(C2CC2)cnn1C)C[C@H](C)C#N ZINC000596990487 348643655 /nfs/dbraw/zinc/64/36/55/348643655.db2.gz CVIJNEAZLPIDFH-LLVKDONJSA-N 1 2 246.358 2.279 20 30 BEEDLO CC[N@H+](Cc1c(C2CC2)cnn1C)C[C@H](C)C#N ZINC000596990487 348643657 /nfs/dbraw/zinc/64/36/57/348643657.db2.gz CVIJNEAZLPIDFH-LLVKDONJSA-N 1 2 246.358 2.279 20 30 BEEDLO COc1ccc(F)c(C[NH+]2CC(CC#N)C2)c1 ZINC000597203595 348677918 /nfs/dbraw/zinc/67/79/18/348677918.db2.gz LWPBUPDMRRILJA-UHFFFAOYSA-N 1 2 234.274 2.180 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000597229325 348697851 /nfs/dbraw/zinc/69/78/51/348697851.db2.gz LECFMZCJLNFMLH-HNNXBMFYSA-N 1 2 242.322 2.357 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000597229325 348697853 /nfs/dbraw/zinc/69/78/53/348697853.db2.gz LECFMZCJLNFMLH-HNNXBMFYSA-N 1 2 242.322 2.357 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1scnc1C1CC1 ZINC000308835872 348771255 /nfs/dbraw/zinc/77/12/55/348771255.db2.gz ICQHEOBGSZLOFR-MRVPVSSYSA-N 1 2 221.329 2.270 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cncc(Cl)c1 ZINC000598593349 348998835 /nfs/dbraw/zinc/99/88/35/348998835.db2.gz RHDLUUDYIHQUIO-VIFPVBQESA-N 1 2 223.707 2.469 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cncc(Cl)c1 ZINC000598593349 348998836 /nfs/dbraw/zinc/99/88/36/348998836.db2.gz RHDLUUDYIHQUIO-VIFPVBQESA-N 1 2 223.707 2.469 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccn1 ZINC000598628516 349004441 /nfs/dbraw/zinc/00/44/41/349004441.db2.gz PAENIOPBXRMKOS-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccn1 ZINC000598628516 349004469 /nfs/dbraw/zinc/00/44/69/349004469.db2.gz PAENIOPBXRMKOS-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cc(NCC[C@H]2CC2(F)F)c(C#N)c[nH+]1 ZINC000598640245 349008096 /nfs/dbraw/zinc/00/80/96/349008096.db2.gz XIFCJZGCMDZWFQ-JTQLQIEISA-N 1 2 237.253 2.141 20 30 BEEDLO Cc1cccc(C[NH2+]Cc2nc(C#N)cs2)n1 ZINC000386119717 362941668 /nfs/dbraw/zinc/94/16/68/362941668.db2.gz LXEWNEACVNDUCO-UHFFFAOYSA-N 1 2 244.323 2.008 20 30 BEEDLO N#C[C@H](c1ccccc1)N1CCc2[nH+]c[nH]c2C1 ZINC000599421872 349183502 /nfs/dbraw/zinc/18/35/02/349183502.db2.gz IWKPUJLHNHZLRY-CQSZACIVSA-N 1 2 238.294 2.033 20 30 BEEDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1C#N ZINC000599432150 349189592 /nfs/dbraw/zinc/18/95/92/349189592.db2.gz JDNNICMQLKGKDY-LBPRGKRZSA-N 1 2 230.311 2.087 20 30 BEEDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1C#N ZINC000599432150 349189596 /nfs/dbraw/zinc/18/95/96/349189596.db2.gz JDNNICMQLKGKDY-LBPRGKRZSA-N 1 2 230.311 2.087 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000599475134 349195018 /nfs/dbraw/zinc/19/50/18/349195018.db2.gz HTBFONLPIPDFIC-CQSZACIVSA-N 1 2 248.301 2.054 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000599475134 349195020 /nfs/dbraw/zinc/19/50/20/349195020.db2.gz HTBFONLPIPDFIC-CQSZACIVSA-N 1 2 248.301 2.054 20 30 BEEDLO CCO[C@H](C[N@H+](CC)[C@H](C)C#N)C1CC1 ZINC000599475332 349196050 /nfs/dbraw/zinc/19/60/50/349196050.db2.gz MJQBJBUVWDGRHZ-ZYHUDNBSSA-N 1 2 210.321 2.035 20 30 BEEDLO CCO[C@H](C[N@@H+](CC)[C@H](C)C#N)C1CC1 ZINC000599475332 349196053 /nfs/dbraw/zinc/19/60/53/349196053.db2.gz MJQBJBUVWDGRHZ-ZYHUDNBSSA-N 1 2 210.321 2.035 20 30 BEEDLO CCc1cc(NCCCCC#N)nc[nH+]1 ZINC000309051968 349407622 /nfs/dbraw/zinc/40/76/22/349407622.db2.gz RKCPDAVYAOCWIQ-UHFFFAOYSA-N 1 2 204.277 2.145 20 30 BEEDLO C=CC(C)(C)CCNC(=O)CCc1c[nH+]cn1C ZINC000628313801 349429915 /nfs/dbraw/zinc/42/99/15/349429915.db2.gz ANTYNSLCORMPBC-UHFFFAOYSA-N 1 2 249.358 2.071 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ncccc1C ZINC000070908888 350075290 /nfs/dbraw/zinc/07/52/90/350075290.db2.gz KBSMWMXKXFXZRQ-NSHDSACASA-N 1 2 203.289 2.172 20 30 BEEDLO C[N@H+](CCc1nccs1)C[C@@H](C#N)CCC#N ZINC000158032835 191099543 /nfs/dbraw/zinc/09/95/43/191099543.db2.gz AYERWCKOAXGOIP-LLVKDONJSA-N 1 2 248.355 2.061 20 30 BEEDLO C[N@@H+](CCc1nccs1)C[C@@H](C#N)CCC#N ZINC000158032835 191099545 /nfs/dbraw/zinc/09/95/45/191099545.db2.gz AYERWCKOAXGOIP-LLVKDONJSA-N 1 2 248.355 2.061 20 30 BEEDLO Cc1noc(C)c1CC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000336707392 350460318 /nfs/dbraw/zinc/46/03/18/350460318.db2.gz KMZPMLGPPPWMKT-SNVBAGLBSA-N 1 2 247.342 2.458 20 30 BEEDLO Cc1noc(C)c1CC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000336707392 350460321 /nfs/dbraw/zinc/46/03/21/350460321.db2.gz KMZPMLGPPPWMKT-SNVBAGLBSA-N 1 2 247.342 2.458 20 30 BEEDLO C=CC[C@@H]1CCCC[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000631349917 350631842 /nfs/dbraw/zinc/63/18/42/350631842.db2.gz PDONWUUZVOILPJ-GHMZBOCLSA-N 1 2 247.346 2.139 20 30 BEEDLO C=CC[C@@H]1CCCC[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000631349917 350631845 /nfs/dbraw/zinc/63/18/45/350631845.db2.gz PDONWUUZVOILPJ-GHMZBOCLSA-N 1 2 247.346 2.139 20 30 BEEDLO C=CC[C@@H]1CCCC[C@@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000631349918 350631996 /nfs/dbraw/zinc/63/19/96/350631996.db2.gz PDONWUUZVOILPJ-MNOVXSKESA-N 1 2 247.346 2.139 20 30 BEEDLO C=CC[C@@H]1CCCC[C@@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000631349918 350631999 /nfs/dbraw/zinc/63/19/99/350631999.db2.gz PDONWUUZVOILPJ-MNOVXSKESA-N 1 2 247.346 2.139 20 30 BEEDLO C=CC(C)(C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000628312111 350812837 /nfs/dbraw/zinc/81/28/37/350812837.db2.gz OSHDRUVHAFFEFG-LLVKDONJSA-N 1 2 249.358 2.307 20 30 BEEDLO C=CC(C)(C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000628312111 350812840 /nfs/dbraw/zinc/81/28/40/350812840.db2.gz OSHDRUVHAFFEFG-LLVKDONJSA-N 1 2 249.358 2.307 20 30 BEEDLO COc1ccc(C[NH2+]C[C@H](C)C#N)c(F)c1 ZINC000404952863 351291419 /nfs/dbraw/zinc/29/14/19/351291419.db2.gz RAALGXNADHBWEB-SECBINFHSA-N 1 2 222.263 2.084 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000271148393 351405240 /nfs/dbraw/zinc/40/52/40/351405240.db2.gz ZTXDEFUSVGWMHX-LLVKDONJSA-N 1 2 234.347 2.230 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000271148393 351405247 /nfs/dbraw/zinc/40/52/47/351405247.db2.gz ZTXDEFUSVGWMHX-LLVKDONJSA-N 1 2 234.347 2.230 20 30 BEEDLO COc1ccsc1C[N@H+](C)C[C@@H](C)C#N ZINC000271147209 351405548 /nfs/dbraw/zinc/40/55/48/351405548.db2.gz ZHSHHPRLGMZUHQ-VIFPVBQESA-N 1 2 224.329 2.348 20 30 BEEDLO COc1ccsc1C[N@@H+](C)C[C@@H](C)C#N ZINC000271147209 351405552 /nfs/dbraw/zinc/40/55/52/351405552.db2.gz ZHSHHPRLGMZUHQ-VIFPVBQESA-N 1 2 224.329 2.348 20 30 BEEDLO C#CCCC[N@H+](CCC#N)Cc1ccco1 ZINC000271075944 351399818 /nfs/dbraw/zinc/39/98/18/351399818.db2.gz WVVXYHHCYMIVGT-UHFFFAOYSA-N 1 2 216.284 2.409 20 30 BEEDLO C#CCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000271075944 351399825 /nfs/dbraw/zinc/39/98/25/351399825.db2.gz WVVXYHHCYMIVGT-UHFFFAOYSA-N 1 2 216.284 2.409 20 30 BEEDLO CCc1ncc(C[N@H+](C)C[C@@H](C)C#N)s1 ZINC000271119095 351402547 /nfs/dbraw/zinc/40/25/47/351402547.db2.gz GQMNZECFTGKDCO-VIFPVBQESA-N 1 2 223.345 2.297 20 30 BEEDLO CCc1ncc(C[N@@H+](C)C[C@@H](C)C#N)s1 ZINC000271119095 351402551 /nfs/dbraw/zinc/40/25/51/351402551.db2.gz GQMNZECFTGKDCO-VIFPVBQESA-N 1 2 223.345 2.297 20 30 BEEDLO Cc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000271126725 351402997 /nfs/dbraw/zinc/40/29/97/351402997.db2.gz LJVSVOSUWTZTRU-SNVBAGLBSA-N 1 2 247.298 2.495 20 30 BEEDLO Cc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000271126725 351403004 /nfs/dbraw/zinc/40/30/04/351403004.db2.gz LJVSVOSUWTZTRU-SNVBAGLBSA-N 1 2 247.298 2.495 20 30 BEEDLO CC[C@@H](C[N@@H+]1Cc2cccc(C#N)c2C1)OC ZINC000405055608 351556624 /nfs/dbraw/zinc/55/66/24/351556624.db2.gz DZMMSTJXUMMAQS-ZDUSSCGKSA-N 1 2 230.311 2.299 20 30 BEEDLO CC[C@@H](C[N@H+]1Cc2cccc(C#N)c2C1)OC ZINC000405055608 351556625 /nfs/dbraw/zinc/55/66/25/351556625.db2.gz DZMMSTJXUMMAQS-ZDUSSCGKSA-N 1 2 230.311 2.299 20 30 BEEDLO CC(C)OCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405092656 351743779 /nfs/dbraw/zinc/74/37/79/351743779.db2.gz WYLFXCZAIUEDBX-UHFFFAOYSA-N 1 2 230.311 2.299 20 30 BEEDLO CC(C)OCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405092656 351743782 /nfs/dbraw/zinc/74/37/82/351743782.db2.gz WYLFXCZAIUEDBX-UHFFFAOYSA-N 1 2 230.311 2.299 20 30 BEEDLO C[N@H+](Cc1cscn1)[C@H]1CC[C@@H](C#N)C1 ZINC000278651266 351774893 /nfs/dbraw/zinc/77/48/93/351774893.db2.gz PVTCSNBMZBWRHG-KOLCDFICSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1cscn1)[C@H]1CC[C@@H](C#N)C1 ZINC000278651266 351774895 /nfs/dbraw/zinc/77/48/95/351774895.db2.gz PVTCSNBMZBWRHG-KOLCDFICSA-N 1 2 221.329 2.267 20 30 BEEDLO Cc1nocc1C[NH2+]CC1(C#N)CCCC1 ZINC000405106250 351777204 /nfs/dbraw/zinc/77/72/04/351777204.db2.gz PRKUQZPAOHXHQQ-UHFFFAOYSA-N 1 2 219.288 2.157 20 30 BEEDLO CCc1cc(N)nc(S[C@@H](C#N)CC)[nH+]1 ZINC000279090657 351796978 /nfs/dbraw/zinc/79/69/78/351796978.db2.gz NJXPIBSCHUJHDN-MRVPVSSYSA-N 1 2 222.317 2.015 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ccnn1CC ZINC000158131569 166338276 /nfs/dbraw/zinc/33/82/76/166338276.db2.gz NVTHPAAGAGXXPN-UHFFFAOYSA-N 1 2 205.305 2.077 20 30 BEEDLO COc1cccc(/C=[NH+]/[C@H](C)[C@H]2CCOC2)c1O ZINC000280987121 351869367 /nfs/dbraw/zinc/86/93/67/351869367.db2.gz KMZLNRSXVIROGW-QPDSQYGNSA-N 1 2 249.310 2.245 20 30 BEEDLO Cc1ncc(CO)c(/C=[NH+]/CCC2(C)CC2)c1O ZINC000281009364 351870174 /nfs/dbraw/zinc/87/01/74/351870174.db2.gz OCGRWYGMKDWXQN-OVCLIPMQSA-N 1 2 248.326 2.197 20 30 BEEDLO Cc1cc(C)cc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284497238 351999037 /nfs/dbraw/zinc/99/90/37/351999037.db2.gz SPLCMYSCVOXDAY-ZDUSSCGKSA-N 1 2 248.326 2.271 20 30 BEEDLO C[C@H]1COCC[C@H]1C/[NH+]=C/c1ccccc1O ZINC000285269673 352033275 /nfs/dbraw/zinc/03/32/75/352033275.db2.gz HVMSJSDNVWIITP-GYBNWTSNSA-N 1 2 233.311 2.484 20 30 BEEDLO N#CCCCC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000366647377 352117613 /nfs/dbraw/zinc/11/76/13/352117613.db2.gz XEGXPKKPPCKIDI-UHFFFAOYSA-N 1 2 248.301 2.023 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1ccncc1Cl ZINC000191098521 166341309 /nfs/dbraw/zinc/34/13/09/166341309.db2.gz QPSYDKYPTASBGX-UHFFFAOYSA-N 1 2 240.734 2.369 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1ccncc1Cl ZINC000191098521 166341311 /nfs/dbraw/zinc/34/13/11/166341311.db2.gz QPSYDKYPTASBGX-UHFFFAOYSA-N 1 2 240.734 2.369 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)c1ccc(C)cc1 ZINC000292388863 352318300 /nfs/dbraw/zinc/31/83/00/352318300.db2.gz ZPEQCWTWZZJJIM-HNNXBMFYSA-N 1 2 244.338 2.430 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H](O)c1ccc(C)cc1 ZINC000292388863 352318304 /nfs/dbraw/zinc/31/83/04/352318304.db2.gz ZPEQCWTWZZJJIM-HNNXBMFYSA-N 1 2 244.338 2.430 20 30 BEEDLO C=C[C@@H]([NH2+]CCC1CCCCC1)C(=O)OC ZINC000300943267 363177354 /nfs/dbraw/zinc/17/73/54/363177354.db2.gz DVWMAMZXQKFYFG-GFCCVEGCSA-N 1 2 225.332 2.274 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCCSCCOC ZINC000292162542 352305168 /nfs/dbraw/zinc/30/51/68/352305168.db2.gz LDLFJYSWVAANMJ-UHFFFAOYSA-N 1 2 242.388 2.158 20 30 BEEDLO C=CC[N@H+](CCC#N)CCCSCCOC ZINC000292162542 352305171 /nfs/dbraw/zinc/30/51/71/352305171.db2.gz LDLFJYSWVAANMJ-UHFFFAOYSA-N 1 2 242.388 2.158 20 30 BEEDLO CC[N@@H+](Cc1oc(C)nc1C)C[C@@H](C)C#N ZINC000618904183 352330760 /nfs/dbraw/zinc/33/07/60/352330760.db2.gz VLTYHTSQQRWPMM-VIFPVBQESA-N 1 2 221.304 2.273 20 30 BEEDLO CC[N@H+](Cc1oc(C)nc1C)C[C@@H](C)C#N ZINC000618904183 352330765 /nfs/dbraw/zinc/33/07/65/352330765.db2.gz VLTYHTSQQRWPMM-VIFPVBQESA-N 1 2 221.304 2.273 20 30 BEEDLO C[C@H](C#N)C[N@H+](CCc1cncs1)C1CC1 ZINC000411398617 191181504 /nfs/dbraw/zinc/18/15/04/191181504.db2.gz CTTJEOCSSMQVNA-SNVBAGLBSA-N 1 2 235.356 2.310 20 30 BEEDLO C[C@H](C#N)C[N@@H+](CCc1cncs1)C1CC1 ZINC000411398617 191181507 /nfs/dbraw/zinc/18/15/07/191181507.db2.gz CTTJEOCSSMQVNA-SNVBAGLBSA-N 1 2 235.356 2.310 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000411776152 191209915 /nfs/dbraw/zinc/20/99/15/191209915.db2.gz ZMZZAFVDYHZWAY-UHFFFAOYSA-N 1 2 213.284 2.018 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000411776152 191209917 /nfs/dbraw/zinc/20/99/17/191209917.db2.gz ZMZZAFVDYHZWAY-UHFFFAOYSA-N 1 2 213.284 2.018 20 30 BEEDLO COc1cc[nH+]cc1NC(=O)C1CCC(=O)CC1 ZINC000329856893 538109732 /nfs/dbraw/zinc/10/97/32/538109732.db2.gz YQPJDQJNYJQXIW-UHFFFAOYSA-N 1 2 248.282 2.438 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000331271114 353233014 /nfs/dbraw/zinc/23/30/14/353233014.db2.gz LEOGMQHKKQFYKE-ZETCQYMHSA-N 1 2 246.236 2.210 20 30 BEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1cnc(C)cn1 ZINC000331194651 353228685 /nfs/dbraw/zinc/22/86/85/353228685.db2.gz WMZVFLWFAICFPZ-CMPLNLGQSA-N 1 2 232.331 2.328 20 30 BEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1cnc(C)cn1 ZINC000331194651 353228687 /nfs/dbraw/zinc/22/86/87/353228687.db2.gz WMZVFLWFAICFPZ-CMPLNLGQSA-N 1 2 232.331 2.328 20 30 BEEDLO C#CC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000174460517 188251568 /nfs/dbraw/zinc/25/15/68/188251568.db2.gz PSQQVYPLXKJPEQ-JSGCOSHPSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000174460517 188251570 /nfs/dbraw/zinc/25/15/70/188251570.db2.gz PSQQVYPLXKJPEQ-JSGCOSHPSA-N 1 2 215.296 2.082 20 30 BEEDLO C=C1CC[NH+]([C@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000279401972 188267891 /nfs/dbraw/zinc/26/78/91/188267891.db2.gz ISGVRLXKEWSLNK-LLVKDONJSA-N 1 2 233.315 2.204 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000129413975 353317945 /nfs/dbraw/zinc/31/79/45/353317945.db2.gz ZMXQMFNTMILUSY-ZDUSSCGKSA-N 1 2 237.730 2.331 20 30 BEEDLO C=C(Cl)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000129413975 353317947 /nfs/dbraw/zinc/31/79/47/353317947.db2.gz ZMXQMFNTMILUSY-ZDUSSCGKSA-N 1 2 237.730 2.331 20 30 BEEDLO C=CCCC[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000077244903 353352249 /nfs/dbraw/zinc/35/22/49/353352249.db2.gz AJNDUQCXNQYCBW-UHFFFAOYSA-N 1 2 229.287 2.040 20 30 BEEDLO C=CC[N@@H+](C)Cc1c(OC)cc(F)cc1OC ZINC000639066923 353380422 /nfs/dbraw/zinc/38/04/22/353380422.db2.gz FYVUVKOQRXFUTK-UHFFFAOYSA-N 1 2 239.290 2.461 20 30 BEEDLO C=CC[N@H+](C)Cc1c(OC)cc(F)cc1OC ZINC000639066923 353380427 /nfs/dbraw/zinc/38/04/27/353380427.db2.gz FYVUVKOQRXFUTK-UHFFFAOYSA-N 1 2 239.290 2.461 20 30 BEEDLO C=CC[C@@H](CC)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000281274765 353440425 /nfs/dbraw/zinc/44/04/25/353440425.db2.gz HMCFKCCBJNIEIY-GFCCVEGCSA-N 1 2 243.310 2.419 20 30 BEEDLO C#CC[N@@H+](Cc1cnc(C(C)(C)C)nc1)C1CC1 ZINC000284421588 353512691 /nfs/dbraw/zinc/51/26/91/353512691.db2.gz RHBCFNBEURDCMP-UHFFFAOYSA-N 1 2 243.354 2.372 20 30 BEEDLO C#CC[N@H+](Cc1cnc(C(C)(C)C)nc1)C1CC1 ZINC000284421588 353512694 /nfs/dbraw/zinc/51/26/94/353512694.db2.gz RHBCFNBEURDCMP-UHFFFAOYSA-N 1 2 243.354 2.372 20 30 BEEDLO C=CC[N@@H+](CCOC)[C@@H](c1nccn1C)C1CC1 ZINC000639100531 353517515 /nfs/dbraw/zinc/51/75/15/353517515.db2.gz ONJOAIHBNAVZIM-CYBMUJFWSA-N 1 2 249.358 2.006 20 30 BEEDLO C=CC[N@H+](CCOC)[C@@H](c1nccn1C)C1CC1 ZINC000639100531 353517518 /nfs/dbraw/zinc/51/75/18/353517518.db2.gz ONJOAIHBNAVZIM-CYBMUJFWSA-N 1 2 249.358 2.006 20 30 BEEDLO C#CC(C)(C)[N@H+](C)CC(=O)OCc1ccccc1 ZINC000285603966 353536746 /nfs/dbraw/zinc/53/67/46/353536746.db2.gz CAYJYOBGPWECBI-UHFFFAOYSA-N 1 2 245.322 2.073 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000285603966 353536748 /nfs/dbraw/zinc/53/67/48/353536748.db2.gz CAYJYOBGPWECBI-UHFFFAOYSA-N 1 2 245.322 2.073 20 30 BEEDLO C(#Cc1ccccc1)C[N@@H+]1CCOC2(CCC2)C1 ZINC000192139717 353543392 /nfs/dbraw/zinc/54/33/92/353543392.db2.gz QDOICLSLKFBTEV-UHFFFAOYSA-N 1 2 241.334 2.293 20 30 BEEDLO C(#Cc1ccccc1)C[N@H+]1CCOC2(CCC2)C1 ZINC000192139717 353543393 /nfs/dbraw/zinc/54/33/93/353543393.db2.gz QDOICLSLKFBTEV-UHFFFAOYSA-N 1 2 241.334 2.293 20 30 BEEDLO C(#Cc1ccccc1)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000192137474 353543479 /nfs/dbraw/zinc/54/34/79/353543479.db2.gz GLTCIJBHGWDGPL-INIZCTEOSA-N 1 2 241.334 2.149 20 30 BEEDLO C(#Cc1ccccc1)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000192137474 353543483 /nfs/dbraw/zinc/54/34/83/353543483.db2.gz GLTCIJBHGWDGPL-INIZCTEOSA-N 1 2 241.334 2.149 20 30 BEEDLO C#CC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287271300 353574851 /nfs/dbraw/zinc/57/48/51/353574851.db2.gz JEJFHAPAWXANJB-UHFFFAOYSA-N 1 2 224.307 2.480 20 30 BEEDLO C#CC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287271300 353574855 /nfs/dbraw/zinc/57/48/55/353574855.db2.gz JEJFHAPAWXANJB-UHFFFAOYSA-N 1 2 224.307 2.480 20 30 BEEDLO C=C1CC[NH+](Cc2cnc([C@H](C)O)s2)CC1 ZINC000289257392 353620688 /nfs/dbraw/zinc/62/06/88/353620688.db2.gz CUUBTICLBLLSEB-JTQLQIEISA-N 1 2 238.356 2.348 20 30 BEEDLO C#CCOc1ccc(C[NH2+]CC(F)F)cc1 ZINC000291444785 353693328 /nfs/dbraw/zinc/69/33/28/353693328.db2.gz LBWGLLZRJBHHCB-UHFFFAOYSA-N 1 2 225.238 2.053 20 30 BEEDLO C#C[C@H](NC(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000294236516 353772505 /nfs/dbraw/zinc/77/25/05/353772505.db2.gz OKOGBMRTHOGUAT-LBPRGKRZSA-N 1 2 231.299 2.169 20 30 BEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000294646730 353783751 /nfs/dbraw/zinc/78/37/51/353783751.db2.gz QWZXFXZBQYASGM-LLVKDONJSA-N 1 2 247.342 2.328 20 30 BEEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000293305259 353740619 /nfs/dbraw/zinc/74/06/19/353740619.db2.gz WTBQNQYSXXJPDY-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000293305259 353740621 /nfs/dbraw/zinc/74/06/21/353740621.db2.gz WTBQNQYSXXJPDY-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C=CC(C)(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000295084321 353800740 /nfs/dbraw/zinc/80/07/40/353800740.db2.gz XCGXNZCWVGANKJ-UHFFFAOYSA-N 1 2 243.310 2.163 20 30 BEEDLO N#CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124083870 181042240 /nfs/dbraw/zinc/04/22/40/181042240.db2.gz NDHCVNGIHKZNCX-CYBMUJFWSA-N 1 2 200.285 2.075 20 30 BEEDLO N#CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124083870 181042243 /nfs/dbraw/zinc/04/22/43/181042243.db2.gz NDHCVNGIHKZNCX-CYBMUJFWSA-N 1 2 200.285 2.075 20 30 BEEDLO C=C[C@H]([NH2+]CCC1=CCCCC1)C(=O)OC ZINC000301019736 363296640 /nfs/dbraw/zinc/29/66/40/363296640.db2.gz JPDOQZLACAPZME-LBPRGKRZSA-N 1 2 223.316 2.194 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000307320036 181061149 /nfs/dbraw/zinc/06/11/49/181061149.db2.gz URVXPZNDURPDNI-HTQZYQBOSA-N 1 2 200.232 2.066 20 30 BEEDLO N#C[C@H]1CC[C@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000307320157 181069824 /nfs/dbraw/zinc/06/98/24/181069824.db2.gz URVXPZNDURPDNI-YUMQZZPRSA-N 1 2 200.232 2.066 20 30 BEEDLO C=C[C@@H]([NH2+]CC1(CC)CCCC1)C(=O)OC ZINC000301044023 363368277 /nfs/dbraw/zinc/36/82/77/363368277.db2.gz LZDPDFCPFHMJIS-LLVKDONJSA-N 1 2 225.332 2.274 20 30 BEEDLO N#Cc1ccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)o1 ZINC000336401603 181103772 /nfs/dbraw/zinc/10/37/72/181103772.db2.gz AIIQVQMPZZNRIK-GFCCVEGCSA-N 1 2 242.282 2.211 20 30 BEEDLO N#Cc1ccc(NCc2ccn3cc[nH+]c3c2)cn1 ZINC000357495293 181124983 /nfs/dbraw/zinc/12/49/83/181124983.db2.gz YWZZZIOAWGWXOX-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO N#CCC[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000334693908 354484840 /nfs/dbraw/zinc/48/48/40/354484840.db2.gz WSOVHVJAQOFDQG-UHFFFAOYSA-N 1 2 228.295 2.153 20 30 BEEDLO N#CCC[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000334693908 354484843 /nfs/dbraw/zinc/48/48/43/354484843.db2.gz WSOVHVJAQOFDQG-UHFFFAOYSA-N 1 2 228.295 2.153 20 30 BEEDLO N#Cc1cccc(C2([NH2+]Cc3ccon3)CC2)c1 ZINC000271740712 181136799 /nfs/dbraw/zinc/13/67/99/181136799.db2.gz CDJDVRUFCWIBCC-UHFFFAOYSA-N 1 2 239.278 2.325 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090007752 181145952 /nfs/dbraw/zinc/14/59/52/181145952.db2.gz JIHNFYRVJVJBBS-HNNXBMFYSA-N 1 2 242.322 2.169 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090007752 181145954 /nfs/dbraw/zinc/14/59/54/181145954.db2.gz JIHNFYRVJVJBBS-HNNXBMFYSA-N 1 2 242.322 2.169 20 30 BEEDLO N#Cc1cccnc1N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374783466 181151802 /nfs/dbraw/zinc/15/18/02/181151802.db2.gz QVYAJZLPRVZJSR-NSHDSACASA-N 1 2 239.282 2.018 20 30 BEEDLO Cc1ccc(C2CCN(CC#N)CC2)c[nH+]1 ZINC000335133183 354780327 /nfs/dbraw/zinc/78/03/27/354780327.db2.gz ZJNSHXQCWMLEJS-UHFFFAOYSA-N 1 2 215.300 2.093 20 30 BEEDLO C=C[C@@H]([NH2+]CC1(C)CCCCC1)C(=O)OC ZINC000301051908 363396196 /nfs/dbraw/zinc/39/61/96/363396196.db2.gz VBTXAOGUSOMOPR-LLVKDONJSA-N 1 2 225.332 2.274 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cnns1 ZINC000335198741 355032006 /nfs/dbraw/zinc/03/20/06/355032006.db2.gz ZTRQWMGTWFRQKO-VIFPVBQESA-N 1 2 209.318 2.079 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1cnns1 ZINC000335198741 355032008 /nfs/dbraw/zinc/03/20/08/355032008.db2.gz ZTRQWMGTWFRQKO-VIFPVBQESA-N 1 2 209.318 2.079 20 30 BEEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000335184012 355082344 /nfs/dbraw/zinc/08/23/44/355082344.db2.gz GYZWSDQDSUDWNR-MWLCHTKSSA-N 1 2 246.339 2.178 20 30 BEEDLO N#Cc1ncccc1NCc1ccn2cc[nH+]c2c1 ZINC000357439169 181172110 /nfs/dbraw/zinc/17/21/10/181172110.db2.gz NVXMMYTTXIZXTI-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO C=C(C)COCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413192775 191361972 /nfs/dbraw/zinc/36/19/72/191361972.db2.gz GHKKPUIXRBPOTN-UHFFFAOYSA-N 1 2 248.330 2.056 20 30 BEEDLO C=C(C)COCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413192775 191361974 /nfs/dbraw/zinc/36/19/74/191361974.db2.gz GHKKPUIXRBPOTN-UHFFFAOYSA-N 1 2 248.330 2.056 20 30 BEEDLO C[C@H]1C[C@@H](Nc2cccc(C#N)n2)c2[nH+]ccn21 ZINC000582162857 355349439 /nfs/dbraw/zinc/34/94/39/355349439.db2.gz UJXFAKKVSUSNNU-GXSJLCMTSA-N 1 2 239.282 2.268 20 30 BEEDLO C[C@H](CC1CCOCC1)C[N@H+](CC#N)C1CC1 ZINC000349980494 355559915 /nfs/dbraw/zinc/55/99/15/355559915.db2.gz ZNLLWYAKMUQXKD-GFCCVEGCSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@H](CC1CCOCC1)C[N@@H+](CC#N)C1CC1 ZINC000349980494 355559919 /nfs/dbraw/zinc/55/99/19/355559919.db2.gz ZNLLWYAKMUQXKD-GFCCVEGCSA-N 1 2 236.359 2.427 20 30 BEEDLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCSC1 ZINC000329526494 355928273 /nfs/dbraw/zinc/92/82/73/355928273.db2.gz RNKMKBLQYGHOSH-MRVPVSSYSA-N 1 2 225.317 2.009 20 30 BEEDLO CCOc1cccc(C[N@H+](C)C[C@H](C)C#N)n1 ZINC000352096746 134063145 /nfs/dbraw/zinc/06/31/45/134063145.db2.gz JMRUDGDBSLIVJV-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO CCOc1cccc(C[N@@H+](C)C[C@H](C)C#N)n1 ZINC000352096746 134063146 /nfs/dbraw/zinc/06/31/46/134063146.db2.gz JMRUDGDBSLIVJV-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO C=C(C)C[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608749511 355971663 /nfs/dbraw/zinc/97/16/63/355971663.db2.gz JJJUMNJGDWANBT-RKDXNWHRSA-N 1 2 223.238 2.214 20 30 BEEDLO C=C(C)C[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608749511 355971664 /nfs/dbraw/zinc/97/16/64/355971664.db2.gz JJJUMNJGDWANBT-RKDXNWHRSA-N 1 2 223.238 2.214 20 30 BEEDLO C=CC[N@H+](CC(C)=O)Cc1ccc(OC)cc1 ZINC000639456917 356242316 /nfs/dbraw/zinc/24/23/16/356242316.db2.gz UMAJIDLEVQPIIB-UHFFFAOYSA-N 1 2 233.311 2.272 20 30 BEEDLO C=CC[N@@H+](CC(C)=O)Cc1ccc(OC)cc1 ZINC000639456917 356242320 /nfs/dbraw/zinc/24/23/20/356242320.db2.gz UMAJIDLEVQPIIB-UHFFFAOYSA-N 1 2 233.311 2.272 20 30 BEEDLO C=CC[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000617780190 356348154 /nfs/dbraw/zinc/34/81/54/356348154.db2.gz QESINMFIXAHRRE-GFCCVEGCSA-N 1 2 247.342 2.075 20 30 BEEDLO C=CCOc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000041014652 358505109 /nfs/dbraw/zinc/50/51/09/358505109.db2.gz CLEQQVRXJCHARV-UHFFFAOYSA-N 1 2 243.310 2.264 20 30 BEEDLO C=CCC[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420922298 192273916 /nfs/dbraw/zinc/27/39/16/192273916.db2.gz NREDBXFNYYWWDZ-UHFFFAOYSA-N 1 2 213.712 2.081 20 30 BEEDLO C=CCC[N@H+](C)Cc1nn(C)cc1Cl ZINC000420922298 192273918 /nfs/dbraw/zinc/27/39/18/192273918.db2.gz NREDBXFNYYWWDZ-UHFFFAOYSA-N 1 2 213.712 2.081 20 30 BEEDLO N#CC1(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CCC1 ZINC000336187397 134122104 /nfs/dbraw/zinc/12/21/04/134122104.db2.gz ZNUBPCVBENFZDN-STQMWFEESA-N 1 2 234.343 2.324 20 30 BEEDLO N#CC1(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)CCC1 ZINC000336187397 134122105 /nfs/dbraw/zinc/12/21/05/134122105.db2.gz ZNUBPCVBENFZDN-STQMWFEESA-N 1 2 234.343 2.324 20 30 BEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421026537 192307178 /nfs/dbraw/zinc/30/71/78/192307178.db2.gz FMPFVRFDVYBOEO-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421026537 192307179 /nfs/dbraw/zinc/30/71/79/192307179.db2.gz FMPFVRFDVYBOEO-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO C=CCC1(C(=O)NCCc2[nH]cc[nH+]2)CCCC1 ZINC000449855838 202046066 /nfs/dbraw/zinc/04/60/66/202046066.db2.gz MXJIQPNXGZREOF-UHFFFAOYSA-N 1 2 247.342 2.205 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CC[C@]23CCOC3)c(F)c1 ZINC000421029221 192308843 /nfs/dbraw/zinc/30/88/43/192308843.db2.gz IMKMFROEIGLCIL-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CC[C@]23CCOC3)c(F)c1 ZINC000421029221 192308845 /nfs/dbraw/zinc/30/88/45/192308845.db2.gz IMKMFROEIGLCIL-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO C=C(C)C[N@@H+](CC)[C@@H](C)c1csnn1 ZINC000450245363 202106008 /nfs/dbraw/zinc/10/60/08/202106008.db2.gz OYUCXPFDVRJJMC-VIFPVBQESA-N 1 2 211.334 2.497 20 30 BEEDLO C=C(C)C[N@H+](CC)[C@@H](C)c1csnn1 ZINC000450245363 202106011 /nfs/dbraw/zinc/10/60/11/202106011.db2.gz OYUCXPFDVRJJMC-VIFPVBQESA-N 1 2 211.334 2.497 20 30 BEEDLO Cc1cnc([C@@H](C)[NH+]2CCC(F)(C#N)CC2)o1 ZINC000352449005 134145597 /nfs/dbraw/zinc/14/55/97/134145597.db2.gz KHNBEWWZHLSTQC-SNVBAGLBSA-N 1 2 237.278 2.372 20 30 BEEDLO CCC[N@H+](CC#N)C[C@@H]1CCO[C@@H](C)C1 ZINC000352714221 134151625 /nfs/dbraw/zinc/15/16/25/134151625.db2.gz BEVVDIXUBRKMHW-NWDGAFQWSA-N 1 2 210.321 2.037 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@@H]1CCO[C@@H](C)C1 ZINC000352714221 134151626 /nfs/dbraw/zinc/15/16/26/134151626.db2.gz BEVVDIXUBRKMHW-NWDGAFQWSA-N 1 2 210.321 2.037 20 30 BEEDLO C=C[C@@H](C)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450378707 202145658 /nfs/dbraw/zinc/14/56/58/202145658.db2.gz LRFZQIQBYJZDMO-SNVBAGLBSA-N 1 2 242.326 2.104 20 30 BEEDLO N#CCSCCC[N@H+]1CCC[C@H]1C(F)F ZINC000353169932 134162341 /nfs/dbraw/zinc/16/23/41/134162341.db2.gz KKQMBDVVJIXKOU-VIFPVBQESA-N 1 2 234.315 2.363 20 30 BEEDLO N#CCSCCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353169932 134162342 /nfs/dbraw/zinc/16/23/42/134162342.db2.gz KKQMBDVVJIXKOU-VIFPVBQESA-N 1 2 234.315 2.363 20 30 BEEDLO C=C(C)CN(C)c1nc(NC)c2ccccc2[nH+]1 ZINC000450428284 202162158 /nfs/dbraw/zinc/16/21/58/202162158.db2.gz HJAUVOWGAAFSHK-UHFFFAOYSA-N 1 2 242.326 2.106 20 30 BEEDLO COc1cc(C#N)ccc1COCc1[nH]cc[nH+]1 ZINC000180046982 366364709 /nfs/dbraw/zinc/36/47/09/366364709.db2.gz PCWBADCNLNTOFD-UHFFFAOYSA-N 1 2 243.266 2.007 20 30 BEEDLO C=CCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355315227 134172730 /nfs/dbraw/zinc/17/27/30/134172730.db2.gz OZIMIWQAPCCXES-UHFFFAOYSA-N 1 2 215.256 2.239 20 30 BEEDLO CC#CCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000180090966 366373193 /nfs/dbraw/zinc/37/31/93/366373193.db2.gz JXVIMAKYUAGMDD-UHFFFAOYSA-N 1 2 238.294 2.282 20 30 BEEDLO Cc1ccc(C#N)cc1NCc1[nH+]ccn1C ZINC000050430369 357508083 /nfs/dbraw/zinc/50/80/83/357508083.db2.gz PUBCBQWKGGBYOD-UHFFFAOYSA-N 1 2 226.283 2.212 20 30 BEEDLO Cc1ccc(NCc2cc(C#N)n(C)c2)c[nH+]1 ZINC000189596786 357644792 /nfs/dbraw/zinc/64/47/92/357644792.db2.gz VMFPBTAYFLQWPY-UHFFFAOYSA-N 1 2 226.283 2.212 20 30 BEEDLO Cc1cc(NC(=O)N2CCC(C#N)CC2)cc[nH+]1 ZINC000119520315 134226948 /nfs/dbraw/zinc/22/69/48/134226948.db2.gz HIZVTZZXXRPSTM-UHFFFAOYSA-N 1 2 244.298 2.158 20 30 BEEDLO CC[N@H+](CCC#N)[C@@H](C)c1ccncc1 ZINC000610432773 357929595 /nfs/dbraw/zinc/92/95/95/357929595.db2.gz WNZQDBLRPXUFMN-NSHDSACASA-N 1 2 203.289 2.378 20 30 BEEDLO CC[N@@H+](CCC#N)[C@@H](C)c1ccncc1 ZINC000610432773 357929598 /nfs/dbraw/zinc/92/95/98/357929598.db2.gz WNZQDBLRPXUFMN-NSHDSACASA-N 1 2 203.289 2.378 20 30 BEEDLO C[N@H+](Cc1cn[nH]c1)Cc1cc(C#N)ccc1F ZINC000610487471 357951907 /nfs/dbraw/zinc/95/19/07/357951907.db2.gz NFXKHWYQWVGWNP-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C[N@@H+](Cc1cn[nH]c1)Cc1cc(C#N)ccc1F ZINC000610487471 357951911 /nfs/dbraw/zinc/95/19/11/357951911.db2.gz NFXKHWYQWVGWNP-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO N#CCCCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000375789548 134240711 /nfs/dbraw/zinc/24/07/11/134240711.db2.gz IABSJWBVOWJDKV-LBPRGKRZSA-N 1 2 234.299 2.347 20 30 BEEDLO N#CCCCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000375789548 134240712 /nfs/dbraw/zinc/24/07/12/134240712.db2.gz IABSJWBVOWJDKV-LBPRGKRZSA-N 1 2 234.299 2.347 20 30 BEEDLO N#C[C@H]1C[N@H+](CC2CCCCC2)CCN1C1CC1 ZINC000360092577 134254812 /nfs/dbraw/zinc/25/48/12/134254812.db2.gz KDXUYJXBMSZPCT-HNNXBMFYSA-N 1 2 247.386 2.239 20 30 BEEDLO N#C[C@H]1C[N@@H+](CC2CCCCC2)CCN1C1CC1 ZINC000360092577 134254813 /nfs/dbraw/zinc/25/48/13/134254813.db2.gz KDXUYJXBMSZPCT-HNNXBMFYSA-N 1 2 247.386 2.239 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CCCO1 ZINC000171384987 134256702 /nfs/dbraw/zinc/25/67/02/134256702.db2.gz RNPZFYPGOPSJRL-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CCCO1 ZINC000171384987 134256703 /nfs/dbraw/zinc/25/67/03/134256703.db2.gz RNPZFYPGOPSJRL-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccn1 ZINC000450721522 202244684 /nfs/dbraw/zinc/24/46/84/202244684.db2.gz XFVISILSUQYAAJ-LLVKDONJSA-N 1 2 215.300 2.426 20 30 BEEDLO CCOc1cccc(C[N@H+](C)[C@@H](C)CC#N)n1 ZINC000132284520 358714956 /nfs/dbraw/zinc/71/49/56/358714956.db2.gz IVIYJGMDXVJPNQ-NSHDSACASA-N 1 2 233.315 2.214 20 30 BEEDLO CCOc1cccc(C[N@@H+](C)[C@@H](C)CC#N)n1 ZINC000132284520 358714958 /nfs/dbraw/zinc/71/49/58/358714958.db2.gz IVIYJGMDXVJPNQ-NSHDSACASA-N 1 2 233.315 2.214 20 30 BEEDLO CCOc1cccc(C[N@H+](C)[C@H](C)CC#N)n1 ZINC000132284717 358715158 /nfs/dbraw/zinc/71/51/58/358715158.db2.gz IVIYJGMDXVJPNQ-LLVKDONJSA-N 1 2 233.315 2.214 20 30 BEEDLO CCOc1cccc(C[N@@H+](C)[C@H](C)CC#N)n1 ZINC000132284717 358715164 /nfs/dbraw/zinc/71/51/64/358715164.db2.gz IVIYJGMDXVJPNQ-LLVKDONJSA-N 1 2 233.315 2.214 20 30 BEEDLO CC[N@@H+](Cc1cccc(OC)n1)C[C@@H](C)C#N ZINC000070093658 359041430 /nfs/dbraw/zinc/04/14/30/359041430.db2.gz VKCHFYNRKXCYPR-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO CC[N@H+](Cc1cccc(OC)n1)C[C@@H](C)C#N ZINC000070093658 359041433 /nfs/dbraw/zinc/04/14/33/359041433.db2.gz VKCHFYNRKXCYPR-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO CCC[N@H+](CC#N)[C@H]1C[C@@H](OCC)C1(C)C ZINC000246987464 359181518 /nfs/dbraw/zinc/18/15/18/359181518.db2.gz MHNLRWBIQIKDSP-NWDGAFQWSA-N 1 2 224.348 2.426 20 30 BEEDLO CCC[N@@H+](CC#N)[C@H]1C[C@@H](OCC)C1(C)C ZINC000246987464 359181520 /nfs/dbraw/zinc/18/15/20/359181520.db2.gz MHNLRWBIQIKDSP-NWDGAFQWSA-N 1 2 224.348 2.426 20 30 BEEDLO CC#CC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000246550432 359146468 /nfs/dbraw/zinc/14/64/68/359146468.db2.gz DCJDRTYCHFRKDW-HIFRSBDPSA-N 1 2 229.323 2.472 20 30 BEEDLO CC#CC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000246550432 359146470 /nfs/dbraw/zinc/14/64/70/359146470.db2.gz DCJDRTYCHFRKDW-HIFRSBDPSA-N 1 2 229.323 2.472 20 30 BEEDLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(F)c(C#N)c1 ZINC000611237019 359204787 /nfs/dbraw/zinc/20/47/87/359204787.db2.gz NXCLXZZMWWYRJR-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C=C[C@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1)C(=O)OC ZINC000619701952 363632037 /nfs/dbraw/zinc/63/20/37/363632037.db2.gz ATHUSHCDLBDTKS-OBJOEFQTSA-N 1 2 247.338 2.496 20 30 BEEDLO CC1(C)C[N@H+](CC2(C#N)CC2)C(C)(C)CO1 ZINC000611429892 359369574 /nfs/dbraw/zinc/36/95/74/359369574.db2.gz JZSSLTGFUIXJOA-UHFFFAOYSA-N 1 2 222.332 2.180 20 30 BEEDLO CC1(C)C[N@@H+](CC2(C#N)CC2)C(C)(C)CO1 ZINC000611429892 359369577 /nfs/dbraw/zinc/36/95/77/359369577.db2.gz JZSSLTGFUIXJOA-UHFFFAOYSA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Cl)cn1 ZINC000611500773 359383319 /nfs/dbraw/zinc/38/33/19/359383319.db2.gz GEAZCYSETFOONK-SECBINFHSA-N 1 2 223.707 2.326 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000611500773 359383326 /nfs/dbraw/zinc/38/33/26/359383326.db2.gz GEAZCYSETFOONK-SECBINFHSA-N 1 2 223.707 2.326 20 30 BEEDLO C#CC[N@@H+](Cc1cn2c(cccc2C)n1)C1CC1 ZINC000274025719 359509471 /nfs/dbraw/zinc/50/94/71/359509471.db2.gz CUVAQUICQKLHPK-UHFFFAOYSA-N 1 2 239.322 2.240 20 30 BEEDLO C#CC[N@H+](Cc1cn2c(cccc2C)n1)C1CC1 ZINC000274025719 359509473 /nfs/dbraw/zinc/50/94/73/359509473.db2.gz CUVAQUICQKLHPK-UHFFFAOYSA-N 1 2 239.322 2.240 20 30 BEEDLO C#CC[N@H+](Cc1ncc(C2CC2)o1)C1CC1 ZINC000274160442 359511665 /nfs/dbraw/zinc/51/16/65/359511665.db2.gz MCNVKWWEENQFPB-UHFFFAOYSA-N 1 2 216.284 2.150 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(C2CC2)o1)C1CC1 ZINC000274160442 359511670 /nfs/dbraw/zinc/51/16/70/359511670.db2.gz MCNVKWWEENQFPB-UHFFFAOYSA-N 1 2 216.284 2.150 20 30 BEEDLO Cc1c[nH+]cc(NCc2cc(C#N)n(C)c2)c1 ZINC000191541162 359574462 /nfs/dbraw/zinc/57/44/62/359574462.db2.gz MSSFXQWKBVGTHF-UHFFFAOYSA-N 1 2 226.283 2.212 20 30 BEEDLO C=CC[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000628493722 359669370 /nfs/dbraw/zinc/66/93/70/359669370.db2.gz VUXHKVSLKJVTOG-QWHCGFSZSA-N 1 2 247.342 2.259 20 30 BEEDLO COc1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000612162078 359712619 /nfs/dbraw/zinc/71/26/19/359712619.db2.gz YOUOZXDUQKLPMS-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000612162078 359712623 /nfs/dbraw/zinc/71/26/23/359712623.db2.gz YOUOZXDUQKLPMS-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000612163045 359714242 /nfs/dbraw/zinc/71/42/42/359714242.db2.gz NLCDHSHKMANDFN-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000612163045 359714245 /nfs/dbraw/zinc/71/42/45/359714245.db2.gz NLCDHSHKMANDFN-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ncccc1C(F)(F)F ZINC000612584579 359897404 /nfs/dbraw/zinc/89/74/04/359897404.db2.gz QNBVCXMVYIUCAE-MRVPVSSYSA-N 1 2 243.232 2.492 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1ccc(C#N)cc1F ZINC000612584863 359896784 /nfs/dbraw/zinc/89/67/84/359896784.db2.gz FFHBMGNHMBEZPA-UHFFFAOYSA-N 1 2 231.274 2.337 20 30 BEEDLO CC[N@@H+](Cc1ccc(OC)c(O)c1)C[C@H](C)C#N ZINC000091983071 360141485 /nfs/dbraw/zinc/14/14/85/360141485.db2.gz GBBKICLVTBTDRN-LLVKDONJSA-N 1 2 248.326 2.382 20 30 BEEDLO CC[N@H+](Cc1ccc(OC)c(O)c1)C[C@H](C)C#N ZINC000091983071 360141489 /nfs/dbraw/zinc/14/14/89/360141489.db2.gz GBBKICLVTBTDRN-LLVKDONJSA-N 1 2 248.326 2.382 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1nn(C)c2ccccc12 ZINC000613044445 360297875 /nfs/dbraw/zinc/29/78/75/360297875.db2.gz JZLYAPJBALBUGS-NSHDSACASA-N 1 2 242.326 2.355 20 30 BEEDLO C=C[C@@H]([NH2+]CC(C(C)C)C(C)C)C(=O)OC ZINC000300773013 360486400 /nfs/dbraw/zinc/48/64/00/360486400.db2.gz BSTDDWHTXPGOLK-GFCCVEGCSA-N 1 2 227.348 2.232 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000066471062 361290915 /nfs/dbraw/zinc/29/09/15/361290915.db2.gz LFFQDJRHLDSZPO-QWRGUYRKSA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000066471062 361290917 /nfs/dbraw/zinc/29/09/17/361290917.db2.gz LFFQDJRHLDSZPO-QWRGUYRKSA-N 1 2 203.289 2.234 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1cc(C(C)=O)no1 ZINC000579001823 366691465 /nfs/dbraw/zinc/69/14/65/366691465.db2.gz STHQLLDXMMKHNG-UHFFFAOYSA-N 1 2 222.288 2.275 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1cc(C(C)=O)no1 ZINC000579001823 366691473 /nfs/dbraw/zinc/69/14/73/366691473.db2.gz STHQLLDXMMKHNG-UHFFFAOYSA-N 1 2 222.288 2.275 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCC(=O)OC(C)(C)C ZINC000428845744 201044815 /nfs/dbraw/zinc/04/48/15/201044815.db2.gz MSAQBPSRSPTVDS-UHFFFAOYSA-N 1 2 238.331 2.120 20 30 BEEDLO C=CC[N@H+](CCC#N)CCC(=O)OC(C)(C)C ZINC000428845744 201044817 /nfs/dbraw/zinc/04/48/17/201044817.db2.gz MSAQBPSRSPTVDS-UHFFFAOYSA-N 1 2 238.331 2.120 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCc1c(C)noc1C ZINC000428855120 201046681 /nfs/dbraw/zinc/04/66/81/201046681.db2.gz CDAKREPXBYIOLX-UHFFFAOYSA-N 1 2 233.315 2.236 20 30 BEEDLO C=CC[N@H+](CCC#N)CCc1c(C)noc1C ZINC000428855120 201046683 /nfs/dbraw/zinc/04/66/83/201046683.db2.gz CDAKREPXBYIOLX-UHFFFAOYSA-N 1 2 233.315 2.236 20 30 BEEDLO CC#CC[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428946833 201052255 /nfs/dbraw/zinc/05/22/55/201052255.db2.gz PDUMQAIBEXPYKR-SECBINFHSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CC[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428946833 201052258 /nfs/dbraw/zinc/05/22/58/201052258.db2.gz PDUMQAIBEXPYKR-SECBINFHSA-N 1 2 235.249 2.051 20 30 BEEDLO C=C(CC)C[N@H+](C)Cc1nncn1C(C)C ZINC000429271981 201084840 /nfs/dbraw/zinc/08/48/40/201084840.db2.gz IQMVMKRZXKBAEI-UHFFFAOYSA-N 1 2 222.336 2.257 20 30 BEEDLO C=C(CC)C[N@@H+](C)Cc1nncn1C(C)C ZINC000429271981 201084842 /nfs/dbraw/zinc/08/48/42/201084842.db2.gz IQMVMKRZXKBAEI-UHFFFAOYSA-N 1 2 222.336 2.257 20 30 BEEDLO Cc1ncc(C[N@@H+](C)CC(C)(C)C#N)s1 ZINC000354016654 366800500 /nfs/dbraw/zinc/80/05/00/366800500.db2.gz BIKIFKZSZQFHCF-UHFFFAOYSA-N 1 2 223.345 2.433 20 30 BEEDLO Cc1ncc(C[N@H+](C)CC(C)(C)C#N)s1 ZINC000354016654 366800503 /nfs/dbraw/zinc/80/05/03/366800503.db2.gz BIKIFKZSZQFHCF-UHFFFAOYSA-N 1 2 223.345 2.433 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435128542 201253102 /nfs/dbraw/zinc/25/31/02/201253102.db2.gz FBEVAYSOGHEBTB-SNVBAGLBSA-N 1 2 244.298 2.261 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435128542 201253105 /nfs/dbraw/zinc/25/31/05/201253105.db2.gz FBEVAYSOGHEBTB-SNVBAGLBSA-N 1 2 244.298 2.261 20 30 BEEDLO CCc1nc(C[NH2+][C@H](CC)CC#N)cs1 ZINC000135040620 364423213 /nfs/dbraw/zinc/42/32/13/364423213.db2.gz XCFCMXAFXAZELP-SECBINFHSA-N 1 2 223.345 2.487 20 30 BEEDLO C[C@H](C#N)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000573604797 364872719 /nfs/dbraw/zinc/87/27/19/364872719.db2.gz IBWSMSCJFWYUKO-SECBINFHSA-N 1 2 240.266 2.175 20 30 BEEDLO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cn2)o1 ZINC000574529273 365083416 /nfs/dbraw/zinc/08/34/16/365083416.db2.gz ASNMLFPDHBSGBD-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cn2)o1 ZINC000574529273 365083421 /nfs/dbraw/zinc/08/34/21/365083421.db2.gz ASNMLFPDHBSGBD-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cn1c(C[NH2+]CCC#N)nc2cccc(Cl)c21 ZINC000574870895 365164025 /nfs/dbraw/zinc/16/40/25/365164025.db2.gz CHDJPIKHBCLMKK-UHFFFAOYSA-N 1 2 248.717 2.230 20 30 BEEDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192028592 365269829 /nfs/dbraw/zinc/26/98/29/365269829.db2.gz HHZZYTDUJXMXQX-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@H]1COCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192028592 365269836 /nfs/dbraw/zinc/26/98/36/365269836.db2.gz HHZZYTDUJXMXQX-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000576050916 365464831 /nfs/dbraw/zinc/46/48/31/365464831.db2.gz WCSPJGWXGLBRBJ-NWDGAFQWSA-N 1 2 245.326 2.295 20 30 BEEDLO Cc1ccc(F)c(C[NH2+]C[C@H](C)C#N)c1 ZINC000183819520 367048892 /nfs/dbraw/zinc/04/88/92/367048892.db2.gz IUAIDJYBKAEQLZ-SNVBAGLBSA-N 1 2 206.264 2.383 20 30 BEEDLO COC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccco1 ZINC000184524861 367082326 /nfs/dbraw/zinc/08/23/26/367082326.db2.gz XMTDIQBBQBXJGG-RYUDHWBXSA-N 1 2 247.298 2.000 20 30 BEEDLO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000068615035 370820939 /nfs/dbraw/zinc/82/09/39/370820939.db2.gz AYGLBJUWFXXSMY-LBPRGKRZSA-N 1 2 245.326 2.134 20 30 BEEDLO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C#N)C1CCCCC1 ZINC000381437146 367402953 /nfs/dbraw/zinc/40/29/53/367402953.db2.gz DBHCKMIOKFJZKD-MDZLAQPJSA-N 1 2 224.348 2.472 20 30 BEEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1nccs1 ZINC000381651332 367444398 /nfs/dbraw/zinc/44/43/98/367444398.db2.gz DEFQJNJVYKRHJN-UWVGGRQHSA-N 1 2 234.328 2.237 20 30 BEEDLO Cn1cc[nH+]c1[C@@H](NCCC#N)c1ccccc1 ZINC000028657310 368241106 /nfs/dbraw/zinc/24/11/06/368241106.db2.gz GJUJXYBUMWDTOQ-ZDUSSCGKSA-N 1 2 240.310 2.013 20 30 BEEDLO C=CCCn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000077238388 368255468 /nfs/dbraw/zinc/25/54/68/368255468.db2.gz SLWNMBKRKBRZLY-NSHDSACASA-N 1 2 245.326 2.405 20 30 BEEDLO C=CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000033952653 368262735 /nfs/dbraw/zinc/26/27/35/368262735.db2.gz RVCFINBSQLHKPW-CYBMUJFWSA-N 1 2 203.285 2.246 20 30 BEEDLO C=CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000033952653 368262739 /nfs/dbraw/zinc/26/27/39/368262739.db2.gz RVCFINBSQLHKPW-CYBMUJFWSA-N 1 2 203.285 2.246 20 30 BEEDLO C#CC[N@@H+](CC=C)Cc1ccccc1F ZINC000056512337 368471800 /nfs/dbraw/zinc/47/18/00/368471800.db2.gz UVJOKADJDSDOBU-UHFFFAOYSA-N 1 2 203.260 2.447 20 30 BEEDLO C#CC[N@H+](CC=C)Cc1ccccc1F ZINC000056512337 368471802 /nfs/dbraw/zinc/47/18/02/368471802.db2.gz UVJOKADJDSDOBU-UHFFFAOYSA-N 1 2 203.260 2.447 20 30 BEEDLO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)o2)nc1 ZINC000616152108 368985971 /nfs/dbraw/zinc/98/59/71/368985971.db2.gz QLSCOAPJEPMDBZ-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)o2)nc1 ZINC000616152108 368985973 /nfs/dbraw/zinc/98/59/73/368985973.db2.gz QLSCOAPJEPMDBZ-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C[C@H]([NH2+]Cc1ncccn1)c1ccc(C#N)cc1 ZINC000054459292 369071783 /nfs/dbraw/zinc/07/17/83/369071783.db2.gz MWSMKBZDKYZMSW-NSHDSACASA-N 1 2 238.294 2.199 20 30 BEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459308820 203253613 /nfs/dbraw/zinc/25/36/13/203253613.db2.gz UKQFGVSBNHIPJJ-UHFFFAOYSA-N 1 2 231.255 2.061 20 30 BEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459308820 203253616 /nfs/dbraw/zinc/25/36/16/203253616.db2.gz UKQFGVSBNHIPJJ-UHFFFAOYSA-N 1 2 231.255 2.061 20 30 BEEDLO C[N@@H+](CCC#N)CCOCC1CCCC1 ZINC000459348941 203265920 /nfs/dbraw/zinc/26/59/20/203265920.db2.gz SSLQMRVFRLAXJZ-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO C[N@H+](CCC#N)CCOCC1CCCC1 ZINC000459348941 203265922 /nfs/dbraw/zinc/26/59/22/203265922.db2.gz SSLQMRVFRLAXJZ-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(COC)on1 ZINC000459511383 203292895 /nfs/dbraw/zinc/29/28/95/203292895.db2.gz IUHNXHZAPNDELF-GFCCVEGCSA-N 1 2 236.315 2.362 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(COC)on1 ZINC000459511383 203292898 /nfs/dbraw/zinc/29/28/98/203292898.db2.gz IUHNXHZAPNDELF-GFCCVEGCSA-N 1 2 236.315 2.362 20 30 BEEDLO CCOC1(C)C[NH+](Cc2ccc(C#N)s2)C1 ZINC000459624732 203322059 /nfs/dbraw/zinc/32/20/59/203322059.db2.gz ROGRXLBINRLGQW-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO Cc1cc(C[NH2+]CC(C)(C)C#N)sn1 ZINC000404476813 369430851 /nfs/dbraw/zinc/43/08/51/369430851.db2.gz XMBXRVLFCQQEOS-UHFFFAOYSA-N 1 2 209.318 2.091 20 30 BEEDLO C=CCOCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459761841 203354769 /nfs/dbraw/zinc/35/47/69/203354769.db2.gz UZVOZHUIQBWBGV-UHFFFAOYSA-N 1 2 221.275 2.344 20 30 BEEDLO C=CCOCC[N@H+]1Cc2cccc(F)c2C1 ZINC000459761841 203354772 /nfs/dbraw/zinc/35/47/72/203354772.db2.gz UZVOZHUIQBWBGV-UHFFFAOYSA-N 1 2 221.275 2.344 20 30 BEEDLO C=C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)OC ZINC000619687364 369528275 /nfs/dbraw/zinc/52/82/75/369528275.db2.gz RQIWZCOGJLCKJQ-SNVBAGLBSA-N 1 2 248.307 2.154 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCCc1ccccc1 ZINC000619716211 369546017 /nfs/dbraw/zinc/54/60/17/369546017.db2.gz AWUNHDPZIQDBNN-AWEZNQCLSA-N 1 2 247.338 2.279 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCCc1ccccc1 ZINC000619716211 369546020 /nfs/dbraw/zinc/54/60/20/369546020.db2.gz AWUNHDPZIQDBNN-AWEZNQCLSA-N 1 2 247.338 2.279 20 30 BEEDLO Cc1cc(N[C@H]2CCCC23CC3)c(C#N)c[nH+]1 ZINC000601209820 369605154 /nfs/dbraw/zinc/60/51/54/369605154.db2.gz LTMZWPIBOVCHAV-ZDUSSCGKSA-N 1 2 227.311 2.428 20 30 BEEDLO C[C@H](CF)[NH2+]Cc1cccc(F)c1C#N ZINC000602015359 369735318 /nfs/dbraw/zinc/73/53/18/369735318.db2.gz BLASSMGGDPBRRM-MRVPVSSYSA-N 1 2 210.227 2.145 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC000620303698 369819778 /nfs/dbraw/zinc/81/97/78/369819778.db2.gz AUUXDZPDHZMASJ-BETUJISGSA-N 1 2 245.326 2.052 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC000620303698 369819782 /nfs/dbraw/zinc/81/97/82/369819782.db2.gz AUUXDZPDHZMASJ-BETUJISGSA-N 1 2 245.326 2.052 20 30 BEEDLO CC1(C)C[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000602752336 369849470 /nfs/dbraw/zinc/84/94/70/369849470.db2.gz UJRUKTBNRRPNEG-UHFFFAOYSA-N 1 2 240.310 2.048 20 30 BEEDLO CC[C@H](C#N)C(=O)Nc1ccc(C)[nH+]c1C ZINC000094666176 369897132 /nfs/dbraw/zinc/89/71/32/369897132.db2.gz SGYWWXKTUCGTSP-SNVBAGLBSA-N 1 2 217.272 2.187 20 30 BEEDLO CC(C)(Nc1cccc(C#N)n1)c1[nH]cc[nH+]1 ZINC000603407506 369955541 /nfs/dbraw/zinc/95/55/41/369955541.db2.gz UWEJCFKPOMPMBD-UHFFFAOYSA-N 1 2 227.271 2.024 20 30 BEEDLO C=CCC(C)(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620611052 369957086 /nfs/dbraw/zinc/95/70/86/369957086.db2.gz XVXCHSPGRWFWRR-SNVBAGLBSA-N 1 2 235.331 2.200 20 30 BEEDLO C=CCCC(C)(C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000620864691 370015463 /nfs/dbraw/zinc/01/54/63/370015463.db2.gz KZRVXTNGNPXFTJ-LLVKDONJSA-N 1 2 249.358 2.449 20 30 BEEDLO C=CCCC(C)(C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000620864691 370015467 /nfs/dbraw/zinc/01/54/67/370015467.db2.gz KZRVXTNGNPXFTJ-LLVKDONJSA-N 1 2 249.358 2.449 20 30 BEEDLO C[N@H+](Cc1ccncc1)[C@@H]1CCC[C@H]1C#N ZINC000252406872 370022324 /nfs/dbraw/zinc/02/23/24/370022324.db2.gz GWMOYZQOUTWPGP-QWHCGFSZSA-N 1 2 215.300 2.206 20 30 BEEDLO C[N@@H+](Cc1ccncc1)[C@@H]1CCC[C@H]1C#N ZINC000252406872 370022329 /nfs/dbraw/zinc/02/23/29/370022329.db2.gz GWMOYZQOUTWPGP-QWHCGFSZSA-N 1 2 215.300 2.206 20 30 BEEDLO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]1C#N ZINC000252415348 370024188 /nfs/dbraw/zinc/02/41/88/370024188.db2.gz RJJIATQOFDYGNA-WCQYABFASA-N 1 2 215.300 2.206 20 30 BEEDLO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]1C#N ZINC000252415348 370024191 /nfs/dbraw/zinc/02/41/91/370024191.db2.gz RJJIATQOFDYGNA-WCQYABFASA-N 1 2 215.300 2.206 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1ccc(C)cc1 ZINC000070142977 371009805 /nfs/dbraw/zinc/00/98/05/371009805.db2.gz KOUCMXNCOPXHGZ-UHFFFAOYSA-N 1 2 232.327 2.357 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1ccc(C)cc1 ZINC000070142977 371009808 /nfs/dbraw/zinc/00/98/08/371009808.db2.gz KOUCMXNCOPXHGZ-UHFFFAOYSA-N 1 2 232.327 2.357 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1cccc(OC)c1 ZINC000070142973 371009861 /nfs/dbraw/zinc/00/98/61/371009861.db2.gz YQGZERIZENBDRE-UHFFFAOYSA-N 1 2 248.326 2.057 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1cccc(OC)c1 ZINC000070142973 371009862 /nfs/dbraw/zinc/00/98/62/371009862.db2.gz YQGZERIZENBDRE-UHFFFAOYSA-N 1 2 248.326 2.057 20 30 BEEDLO CC[C@@H](c1ccccc1)[NH+]1CC(O)(CC#N)C1 ZINC001642834755 1172410784 /nfs/dbraw/zinc/41/07/84/1172410784.db2.gz WVAVAPCGKQMUFE-ZDUSSCGKSA-N 1 2 230.311 2.098 20 30 BEEDLO C=C[C@H](C)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631162327 372213555 /nfs/dbraw/zinc/21/35/55/372213555.db2.gz ZVNXAOGAWUJNBP-QMMMGPOBSA-N 1 2 228.299 2.244 20 30 BEEDLO C=C(C)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631214992 372238936 /nfs/dbraw/zinc/23/89/36/372238936.db2.gz GUZYITZUFOEPEF-UHFFFAOYSA-N 1 2 228.299 2.245 20 30 BEEDLO C=CC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000192680101 205961053 /nfs/dbraw/zinc/96/10/53/205961053.db2.gz ZSQGBLSWPCKJPR-QMMMGPOBSA-N 1 2 209.293 2.204 20 30 BEEDLO COCC[N@H+](CC#N)CC1CCC(F)(F)CC1 ZINC000459540436 206134461 /nfs/dbraw/zinc/13/44/61/206134461.db2.gz YJKPNDHDZHZKMB-UHFFFAOYSA-N 1 2 246.301 2.284 20 30 BEEDLO COCC[N@@H+](CC#N)CC1CCC(F)(F)CC1 ZINC000459540436 206134466 /nfs/dbraw/zinc/13/44/66/206134466.db2.gz YJKPNDHDZHZKMB-UHFFFAOYSA-N 1 2 246.301 2.284 20 30 BEEDLO CCCCCCC[C@H](C)[NH2+]CC(=O)OC ZINC000059089699 1172506833 /nfs/dbraw/zinc/50/68/33/1172506833.db2.gz IHNFCGFANDJPGN-NSHDSACASA-N 1 2 215.337 2.498 20 30 BEEDLO CCCN(CC#N)Cc1cn2cc(C)ccc2[nH+]1 ZINC000118004497 169091398 /nfs/dbraw/zinc/09/13/98/169091398.db2.gz UUUHZPHAYPWYRZ-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO CC[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](C)C#N ZINC000179818208 134324130 /nfs/dbraw/zinc/32/41/30/134324130.db2.gz DYQPNDKFCHVJDW-LBPRGKRZSA-N 1 2 234.347 2.446 20 30 BEEDLO CC[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](C)C#N ZINC000179818208 134324131 /nfs/dbraw/zinc/32/41/31/134324131.db2.gz DYQPNDKFCHVJDW-LBPRGKRZSA-N 1 2 234.347 2.446 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000181286785 134334978 /nfs/dbraw/zinc/33/49/78/134334978.db2.gz SZQFKWAKSJKQDC-UHFFFAOYSA-N 1 2 223.320 2.276 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000181286785 134334979 /nfs/dbraw/zinc/33/49/79/134334979.db2.gz SZQFKWAKSJKQDC-UHFFFAOYSA-N 1 2 223.320 2.276 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181767637 134339718 /nfs/dbraw/zinc/33/97/18/134339718.db2.gz IUQPTMRYFDAXEN-UHFFFAOYSA-N 1 2 234.347 2.091 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181767637 134339719 /nfs/dbraw/zinc/33/97/19/134339719.db2.gz IUQPTMRYFDAXEN-UHFFFAOYSA-N 1 2 234.347 2.091 20 30 BEEDLO C[C@@H]1OCC[N@H+](Cc2cccc(C#N)c2F)[C@H]1C ZINC000334445037 383898449 /nfs/dbraw/zinc/89/84/49/383898449.db2.gz NTZUVHCDPOAFNH-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1OCC[N@@H+](Cc2cccc(C#N)c2F)[C@H]1C ZINC000334445037 383898453 /nfs/dbraw/zinc/89/84/53/383898453.db2.gz NTZUVHCDPOAFNH-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO CCOc1ccccc1OCC[N@H+](C)CCC#N ZINC000088401853 383899277 /nfs/dbraw/zinc/89/92/77/383899277.db2.gz RGYKTPVHWDZONS-UHFFFAOYSA-N 1 2 248.326 2.310 20 30 BEEDLO CCOc1ccccc1OCC[N@@H+](C)CCC#N ZINC000088401853 383899281 /nfs/dbraw/zinc/89/92/81/383899281.db2.gz RGYKTPVHWDZONS-UHFFFAOYSA-N 1 2 248.326 2.310 20 30 BEEDLO CC[N@@H+](CCC#N)CCOc1ccc(OC)cc1 ZINC000088401860 383900280 /nfs/dbraw/zinc/90/02/80/383900280.db2.gz CUOVNCDOVFUWSI-UHFFFAOYSA-N 1 2 248.326 2.310 20 30 BEEDLO CC[N@H+](CCC#N)CCOc1ccc(OC)cc1 ZINC000088401860 383900293 /nfs/dbraw/zinc/90/02/93/383900293.db2.gz CUOVNCDOVFUWSI-UHFFFAOYSA-N 1 2 248.326 2.310 20 30 BEEDLO C#CC(C)(C)N(C)Cc1cc(OC)cc(C)[nH+]1 ZINC000298486176 383903269 /nfs/dbraw/zinc/90/32/69/383903269.db2.gz JKKRHDMTMNUMRD-UHFFFAOYSA-N 1 2 232.327 2.242 20 30 BEEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](CC)C(=O)OC ZINC000298594956 383945248 /nfs/dbraw/zinc/94/52/48/383945248.db2.gz RYZZNYNCNKIURS-AWEZNQCLSA-N 1 2 245.322 2.073 20 30 BEEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](CC)C(=O)OC ZINC000298594956 383945254 /nfs/dbraw/zinc/94/52/54/383945254.db2.gz RYZZNYNCNKIURS-AWEZNQCLSA-N 1 2 245.322 2.073 20 30 BEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000334820527 383959429 /nfs/dbraw/zinc/95/94/29/383959429.db2.gz ZFHCCSKYCXVKPN-LLVKDONJSA-N 1 2 222.238 2.241 20 30 BEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000334820527 383959435 /nfs/dbraw/zinc/95/94/35/383959435.db2.gz ZFHCCSKYCXVKPN-LLVKDONJSA-N 1 2 222.238 2.241 20 30 BEEDLO Cc1ccc2nc(C[NH2+]CC3(C#N)CC3)cn2c1 ZINC000560273716 384032526 /nfs/dbraw/zinc/03/25/26/384032526.db2.gz OBSMWZRVXLHMJS-UHFFFAOYSA-N 1 2 240.310 2.036 20 30 BEEDLO Cc1ccc2[nH+]c(CNCC3(C#N)CC3)cn2c1 ZINC000560273716 384032531 /nfs/dbraw/zinc/03/25/31/384032531.db2.gz OBSMWZRVXLHMJS-UHFFFAOYSA-N 1 2 240.310 2.036 20 30 BEEDLO Cc1ccc(NCc2ccc(C#N)o2)c[nH+]1 ZINC000128006579 384082233 /nfs/dbraw/zinc/08/22/33/384082233.db2.gz ALRJZMCOUVCFAZ-UHFFFAOYSA-N 1 2 213.240 2.467 20 30 BEEDLO CCCN(CC#N)Cc1c[nH+]c2ccc(C)cn12 ZINC000092398563 384177112 /nfs/dbraw/zinc/17/71/12/384177112.db2.gz CEKUKFIIQDLRBF-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO C#CCN(Cc1c[nH+]c[nH]1)Cc1ccc(F)cc1 ZINC000092541585 384202463 /nfs/dbraw/zinc/20/24/63/384202463.db2.gz BWVUTOOBQBJZOE-UHFFFAOYSA-N 1 2 243.285 2.184 20 30 BEEDLO COc1cccc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000042207244 384205380 /nfs/dbraw/zinc/20/53/80/384205380.db2.gz QCZVPVWVWDPBBV-NSHDSACASA-N 1 2 218.300 2.287 20 30 BEEDLO COc1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000042207244 384205382 /nfs/dbraw/zinc/20/53/82/384205382.db2.gz QCZVPVWVWDPBBV-NSHDSACASA-N 1 2 218.300 2.287 20 30 BEEDLO CC(=O)Nc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000093090687 384211919 /nfs/dbraw/zinc/21/19/19/384211919.db2.gz VWIBBUJLYIMLPH-LLVKDONJSA-N 1 2 245.326 2.379 20 30 BEEDLO CC(=O)Nc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000093090687 384211923 /nfs/dbraw/zinc/21/19/23/384211923.db2.gz VWIBBUJLYIMLPH-LLVKDONJSA-N 1 2 245.326 2.379 20 30 BEEDLO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccon1 ZINC000336779735 384276801 /nfs/dbraw/zinc/27/68/01/384276801.db2.gz PKUFDYITUIJYQF-QMMMGPOBSA-N 1 2 233.296 2.459 20 30 BEEDLO CCCCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000159621420 384346150 /nfs/dbraw/zinc/34/61/50/384346150.db2.gz IBPHDNWLZVXCRJ-UHFFFAOYSA-N 1 2 241.360 2.473 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC000490715596 384352277 /nfs/dbraw/zinc/35/22/77/384352277.db2.gz XRJQNIKIVUGAID-SNVBAGLBSA-N 1 2 249.285 2.066 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC000490715596 384352285 /nfs/dbraw/zinc/35/22/85/384352285.db2.gz XRJQNIKIVUGAID-SNVBAGLBSA-N 1 2 249.285 2.066 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1ccccn1 ZINC000035694762 384418692 /nfs/dbraw/zinc/41/86/92/384418692.db2.gz APNNPBYMOYQNHZ-GHMZBOCLSA-N 1 2 203.289 2.424 20 30 BEEDLO C#CC[N@@H+](Cc1cn[nH]c1C)C1CCCCC1 ZINC000490891997 384463890 /nfs/dbraw/zinc/46/38/90/384463890.db2.gz IWQFNPWBNPDHKR-UHFFFAOYSA-N 1 2 231.343 2.486 20 30 BEEDLO C#CC[N@H+](Cc1cn[nH]c1C)C1CCCCC1 ZINC000490891997 384463895 /nfs/dbraw/zinc/46/38/95/384463895.db2.gz IWQFNPWBNPDHKR-UHFFFAOYSA-N 1 2 231.343 2.486 20 30 BEEDLO CCOCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000081159308 384467394 /nfs/dbraw/zinc/46/73/94/384467394.db2.gz KAGKPWGNGMHPJH-UHFFFAOYSA-N 1 2 247.342 2.224 20 30 BEEDLO CCOCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000081159308 384467400 /nfs/dbraw/zinc/46/74/00/384467400.db2.gz KAGKPWGNGMHPJH-UHFFFAOYSA-N 1 2 247.342 2.224 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc2c1OCCO2 ZINC000161793535 384526783 /nfs/dbraw/zinc/52/67/83/384526783.db2.gz LGORNTHLWJANHE-NSHDSACASA-N 1 2 246.310 2.192 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000161793535 384526787 /nfs/dbraw/zinc/52/67/87/384526787.db2.gz LGORNTHLWJANHE-NSHDSACASA-N 1 2 246.310 2.192 20 30 BEEDLO Cc1occc1C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000565160893 384616783 /nfs/dbraw/zinc/61/67/83/384616783.db2.gz DVUYGINKSVGGCR-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1occc1C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000565160893 384616800 /nfs/dbraw/zinc/61/68/00/384616800.db2.gz DVUYGINKSVGGCR-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000050144416 384598088 /nfs/dbraw/zinc/59/80/88/384598088.db2.gz AATSWZUQTNXUNC-NSHDSACASA-N 1 2 248.301 2.490 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000050144416 384598094 /nfs/dbraw/zinc/59/80/94/384598094.db2.gz AATSWZUQTNXUNC-NSHDSACASA-N 1 2 248.301 2.490 20 30 BEEDLO CC[N@H+](CC#N)C[C@@H]1CCC(F)(F)C1 ZINC000300971458 384765743 /nfs/dbraw/zinc/76/57/43/384765743.db2.gz QSZMFWPXBSCNPB-SECBINFHSA-N 1 2 202.248 2.267 20 30 BEEDLO CC[N@@H+](CC#N)C[C@@H]1CCC(F)(F)C1 ZINC000300971458 384765749 /nfs/dbraw/zinc/76/57/49/384765749.db2.gz QSZMFWPXBSCNPB-SECBINFHSA-N 1 2 202.248 2.267 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1nc(C)cs1 ZINC000038091448 384793204 /nfs/dbraw/zinc/79/32/04/384793204.db2.gz MQHIOSYBTPQJNM-VIFPVBQESA-N 1 2 209.318 2.233 20 30 BEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000192225205 384913674 /nfs/dbraw/zinc/91/36/74/384913674.db2.gz DAYIVGBMTZWXQJ-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000192225205 384913681 /nfs/dbraw/zinc/91/36/81/384913681.db2.gz DAYIVGBMTZWXQJ-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000192238124 384914181 /nfs/dbraw/zinc/91/41/81/384914181.db2.gz HOXBJAHMAWNSPC-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000192238124 384914186 /nfs/dbraw/zinc/91/41/86/384914186.db2.gz HOXBJAHMAWNSPC-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000192222355 384915351 /nfs/dbraw/zinc/91/53/51/384915351.db2.gz SXQDUIHGFVIJFR-NSHDSACASA-N 1 2 248.301 2.026 20 30 BEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000192222355 384915356 /nfs/dbraw/zinc/91/53/56/384915356.db2.gz SXQDUIHGFVIJFR-NSHDSACASA-N 1 2 248.301 2.026 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000192238119 384915865 /nfs/dbraw/zinc/91/58/65/384915865.db2.gz HOXBJAHMAWNSPC-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000192238119 384915869 /nfs/dbraw/zinc/91/58/69/384915869.db2.gz HOXBJAHMAWNSPC-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO CCn1nc(C)c(C[N@H+](CC)CCC#N)c1C ZINC000127619462 384922918 /nfs/dbraw/zinc/92/29/18/384922918.db2.gz UEAHIYXCYVETHR-UHFFFAOYSA-N 1 2 234.347 2.255 20 30 BEEDLO CCn1nc(C)c(C[N@@H+](CC)CCC#N)c1C ZINC000127619462 384922925 /nfs/dbraw/zinc/92/29/25/384922925.db2.gz UEAHIYXCYVETHR-UHFFFAOYSA-N 1 2 234.347 2.255 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccccc1 ZINC000057846666 384969266 /nfs/dbraw/zinc/96/92/66/384969266.db2.gz YJKHTFRILXRZCS-LBPRGKRZSA-N 1 2 218.300 2.299 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccccc1 ZINC000057846666 384969270 /nfs/dbraw/zinc/96/92/70/384969270.db2.gz YJKHTFRILXRZCS-LBPRGKRZSA-N 1 2 218.300 2.299 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1cc(COC)on1 ZINC000297877061 384971946 /nfs/dbraw/zinc/97/19/46/384971946.db2.gz QCSRUBIWAMQFMZ-UHFFFAOYSA-N 1 2 224.304 2.219 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1cc(COC)on1 ZINC000297877061 384971952 /nfs/dbraw/zinc/97/19/52/384971952.db2.gz QCSRUBIWAMQFMZ-UHFFFAOYSA-N 1 2 224.304 2.219 20 30 BEEDLO C#CCN(C(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000297886893 384981120 /nfs/dbraw/zinc/98/11/20/384981120.db2.gz WHALJVXOKSMUKG-UHFFFAOYSA-N 1 2 229.283 2.020 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000157145350 385071229 /nfs/dbraw/zinc/07/12/29/385071229.db2.gz DBNIQLWUYJIHMI-OLZOCXBDSA-N 1 2 247.313 2.286 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000157145350 385071232 /nfs/dbraw/zinc/07/12/32/385071232.db2.gz DBNIQLWUYJIHMI-OLZOCXBDSA-N 1 2 247.313 2.286 20 30 BEEDLO C#C[C@@H](CCC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000491192458 385073136 /nfs/dbraw/zinc/07/31/36/385073136.db2.gz ONPOTEVYEYORSP-LBPRGKRZSA-N 1 2 245.326 2.044 20 30 BEEDLO Cc1ccc(NC(=O)N(C)[C@@H](C)CC#N)c(C)[nH+]1 ZINC000152158258 385158188 /nfs/dbraw/zinc/15/81/88/385158188.db2.gz KKZRHCZIWAUVNX-JTQLQIEISA-N 1 2 246.314 2.464 20 30 BEEDLO C#CC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246628126 385208678 /nfs/dbraw/zinc/20/86/78/385208678.db2.gz VYDXYOAZTYGLEA-PWSUYJOCSA-N 1 2 221.325 2.143 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246628126 385208681 /nfs/dbraw/zinc/20/86/81/385208681.db2.gz VYDXYOAZTYGLEA-PWSUYJOCSA-N 1 2 221.325 2.143 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000491255025 385254139 /nfs/dbraw/zinc/25/41/39/385254139.db2.gz VBCRHHYJRQIRFZ-GFCCVEGCSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000491255025 385254145 /nfs/dbraw/zinc/25/41/45/385254145.db2.gz VBCRHHYJRQIRFZ-GFCCVEGCSA-N 1 2 244.338 2.195 20 30 BEEDLO COCc1ccc([C@H]2CCC[N@@H+]2CCC#N)o1 ZINC000131414049 385332389 /nfs/dbraw/zinc/33/23/89/385332389.db2.gz JFLQYIMLAWGECQ-GFCCVEGCSA-N 1 2 234.299 2.477 20 30 BEEDLO COCc1ccc([C@H]2CCC[N@H+]2CCC#N)o1 ZINC000131414049 385332395 /nfs/dbraw/zinc/33/23/95/385332395.db2.gz JFLQYIMLAWGECQ-GFCCVEGCSA-N 1 2 234.299 2.477 20 30 BEEDLO C=CCCOCC/[NH+]=C/c1ccccc1O ZINC000154800456 385355095 /nfs/dbraw/zinc/35/50/95/385355095.db2.gz QWBSTGPUSNAWIT-SDNWHVSQSA-N 1 2 219.284 2.404 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cccc[nH+]1 ZINC000280772882 385369826 /nfs/dbraw/zinc/36/98/26/385369826.db2.gz ORJCKENGLCHJCL-YPMHNXCESA-N 1 2 218.300 2.475 20 30 BEEDLO CC[N@@H+](Cc1ccccn1)C[C@H](C#N)CCC#N ZINC000131322607 385327775 /nfs/dbraw/zinc/32/77/75/385327775.db2.gz HQJVZSBSGUKWHA-ZDUSSCGKSA-N 1 2 242.326 2.347 20 30 BEEDLO CC[N@H+](Cc1ccccn1)C[C@H](C#N)CCC#N ZINC000131322607 385327776 /nfs/dbraw/zinc/32/77/76/385327776.db2.gz HQJVZSBSGUKWHA-ZDUSSCGKSA-N 1 2 242.326 2.347 20 30 BEEDLO Cc1c[nH+]cc(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000309209904 385479244 /nfs/dbraw/zinc/47/92/44/385479244.db2.gz SPOQGMMEEBZEMH-QWRGUYRKSA-N 1 2 201.273 2.494 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1[C@@H](C)Cc1ccsc1 ZINC000491373734 385482969 /nfs/dbraw/zinc/48/29/69/385482969.db2.gz ODFKIDULBPZQCX-WCQYABFASA-N 1 2 235.352 2.013 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000491373734 385482974 /nfs/dbraw/zinc/48/29/74/385482974.db2.gz ODFKIDULBPZQCX-WCQYABFASA-N 1 2 235.352 2.013 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cn(C)nc1C(C)(C)C ZINC000271745612 385848484 /nfs/dbraw/zinc/84/84/84/385848484.db2.gz SPBJCANWLRCPQN-LLVKDONJSA-N 1 2 248.374 2.309 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn(C)nc1C(C)(C)C ZINC000271745612 385848487 /nfs/dbraw/zinc/84/84/87/385848487.db2.gz SPBJCANWLRCPQN-LLVKDONJSA-N 1 2 248.374 2.309 20 30 BEEDLO C=CCCCCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000284072503 385849528 /nfs/dbraw/zinc/84/95/28/385849528.db2.gz KBRMWUPTNJDVNK-LLVKDONJSA-N 1 2 226.320 2.201 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000271114649 385788562 /nfs/dbraw/zinc/78/85/62/385788562.db2.gz DKAJWELTTMKRGI-VIFPVBQESA-N 1 2 219.313 2.211 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000271114649 385788566 /nfs/dbraw/zinc/78/85/66/385788566.db2.gz DKAJWELTTMKRGI-VIFPVBQESA-N 1 2 219.313 2.211 20 30 BEEDLO CC[N@@H+](Cc1ccc(C)nc1)C[C@@H](C)C#N ZINC000122422177 385920128 /nfs/dbraw/zinc/92/01/28/385920128.db2.gz WOQJRPPMCVQXGH-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1ccc(C)nc1)C[C@@H](C)C#N ZINC000122422177 385920129 /nfs/dbraw/zinc/92/01/29/385920129.db2.gz WOQJRPPMCVQXGH-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000296082350 386135030 /nfs/dbraw/zinc/13/50/30/386135030.db2.gz QQRFSZCTWSUQNS-GFCCVEGCSA-N 1 2 222.263 2.475 20 30 BEEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000296082350 386135035 /nfs/dbraw/zinc/13/50/35/386135035.db2.gz QQRFSZCTWSUQNS-GFCCVEGCSA-N 1 2 222.263 2.475 20 30 BEEDLO C[C@@H](C#N)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000334492479 386355431 /nfs/dbraw/zinc/35/54/31/386355431.db2.gz SBHUEXRJHKCBLZ-VIFPVBQESA-N 1 2 240.266 2.175 20 30 BEEDLO C=CCCN(C)c1cc(C)[nH+]cc1C#N ZINC000399385858 386539598 /nfs/dbraw/zinc/53/95/98/386539598.db2.gz QFUUWRQVIQJAQX-UHFFFAOYSA-N 1 2 201.273 2.274 20 30 BEEDLO Cc1[nH]c(C(=O)N[C@H]2C=CCCC2)c[nH+]1 ZINC000328747431 386615359 /nfs/dbraw/zinc/61/53/59/386615359.db2.gz AYMWFTZVTGROMM-VIFPVBQESA-N 1 2 205.261 2.131 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)NCc1c[nH+]ccc1OC ZINC000294486732 386681557 /nfs/dbraw/zinc/68/15/57/386681557.db2.gz JLEAUTHGAOMXIB-AWEZNQCLSA-N 1 2 248.326 2.309 20 30 BEEDLO C=C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330440075 386738817 /nfs/dbraw/zinc/73/88/17/386738817.db2.gz UCTNCEQVDVRDDE-UHFFFAOYSA-N 1 2 248.282 2.452 20 30 BEEDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C(C)C)on1 ZINC000330527324 386773860 /nfs/dbraw/zinc/77/38/60/386773860.db2.gz DRAVYJPFCAZBNW-UHFFFAOYSA-N 1 2 248.286 2.334 20 30 BEEDLO CC(C)n1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)n1 ZINC000330645362 386810761 /nfs/dbraw/zinc/81/07/61/386810761.db2.gz FAQDPGBEMLBAJQ-DGCLKSJQSA-N 1 2 232.331 2.246 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cnc(C2CCC2)s1 ZINC000093475596 386834445 /nfs/dbraw/zinc/83/44/45/386834445.db2.gz KCKMUGFQLHIDMH-UHFFFAOYSA-N 1 2 244.363 2.479 20 30 BEEDLO CC(C)n1c[nH+]cc1CN(C)CC(C)(C)C#N ZINC000425372841 387015285 /nfs/dbraw/zinc/01/52/85/387015285.db2.gz UGTOYEMILPJCNQ-UHFFFAOYSA-N 1 2 234.347 2.446 20 30 BEEDLO N#CCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000425976588 387100242 /nfs/dbraw/zinc/10/02/42/387100242.db2.gz GTYTXTBKJLBSLU-UHFFFAOYSA-N 1 2 244.216 2.430 20 30 BEEDLO CCC1(C)C[NH+](C[C@H](C#N)CCC#N)C1 ZINC000359514908 387115414 /nfs/dbraw/zinc/11/54/14/387115414.db2.gz YFPONRDHMARTRO-NSHDSACASA-N 1 2 205.305 2.162 20 30 BEEDLO CCCCCNc1cc(C)[nH+]cc1C#N ZINC000399733520 387152737 /nfs/dbraw/zinc/15/27/37/387152737.db2.gz MYSXWUUORLGCQB-UHFFFAOYSA-N 1 2 203.289 2.286 20 30 BEEDLO CCC(CC)Nc1cc(C)[nH+]cc1C#N ZINC000399719142 387139114 /nfs/dbraw/zinc/13/91/14/387139114.db2.gz HPTCTMOOXMTMJL-UHFFFAOYSA-N 1 2 203.289 2.284 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1[nH]nc2ccccc21 ZINC000611260866 387139355 /nfs/dbraw/zinc/13/93/55/387139355.db2.gz PEPDTGRRARBAPU-SNVBAGLBSA-N 1 2 228.299 2.154 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC000611260866 387139362 /nfs/dbraw/zinc/13/93/62/387139362.db2.gz PEPDTGRRARBAPU-SNVBAGLBSA-N 1 2 228.299 2.154 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000191934825 387231997 /nfs/dbraw/zinc/23/19/97/387231997.db2.gz PGTOTXAROASYAM-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000191934825 387232004 /nfs/dbraw/zinc/23/20/04/387232004.db2.gz PGTOTXAROASYAM-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO C=CC[C@@H](CC)Nc1nc(N)c2ccccc2[nH+]1 ZINC000515023125 387325370 /nfs/dbraw/zinc/32/53/70/387325370.db2.gz ALGSDNMQJMEUEW-SNVBAGLBSA-N 1 2 242.326 2.231 20 30 BEEDLO C=C1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC000264440469 387390396 /nfs/dbraw/zinc/39/03/96/387390396.db2.gz FSORUURTSNGJQO-VIFPVBQESA-N 1 2 207.277 2.091 20 30 BEEDLO C=C1CC[NH+]([C@@H](C)c2nc(CC)no2)CC1 ZINC000264483423 387392280 /nfs/dbraw/zinc/39/22/80/387392280.db2.gz QTNZLFZVJLSYIL-JTQLQIEISA-N 1 2 221.304 2.345 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ccc(F)cc1C(=O)OC ZINC000267242255 387408063 /nfs/dbraw/zinc/40/80/63/387408063.db2.gz FEOSXJNIVPRQKL-UHFFFAOYSA-N 1 2 249.285 2.067 20 30 BEEDLO C#CC[N@H+](CC)Cc1ccc(F)cc1C(=O)OC ZINC000267242255 387408065 /nfs/dbraw/zinc/40/80/65/387408065.db2.gz FEOSXJNIVPRQKL-UHFFFAOYSA-N 1 2 249.285 2.067 20 30 BEEDLO Cc1ccc(C[NH2+]Cc2nc(C#N)cs2)cn1 ZINC000352821181 387513797 /nfs/dbraw/zinc/51/37/97/387513797.db2.gz GNLYKGDYNVNYIZ-UHFFFAOYSA-N 1 2 244.323 2.008 20 30 BEEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C)C1CC1 ZINC000274219189 387467109 /nfs/dbraw/zinc/46/71/09/387467109.db2.gz UXHHMCYCGGHTES-UHFFFAOYSA-N 1 2 242.322 2.031 20 30 BEEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C)C1CC1 ZINC000274219189 387467114 /nfs/dbraw/zinc/46/71/14/387467114.db2.gz UXHHMCYCGGHTES-UHFFFAOYSA-N 1 2 242.322 2.031 20 30 BEEDLO CC#CCCCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000278540793 387542480 /nfs/dbraw/zinc/54/24/80/387542480.db2.gz FJROINXKPNXPSV-CYBMUJFWSA-N 1 2 247.342 2.417 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@H](C)CC#N)ccn1 ZINC000527536680 387633337 /nfs/dbraw/zinc/63/33/37/387633337.db2.gz YHGSIJTTZKZYJT-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@H](C)CC#N)ccn1 ZINC000527536680 387633342 /nfs/dbraw/zinc/63/33/42/387633342.db2.gz YHGSIJTTZKZYJT-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO C=CC(C)(C)CCNc1nc[nH+]c(N)c1Cl ZINC000528075707 387835940 /nfs/dbraw/zinc/83/59/40/387835940.db2.gz SVVRYIXUKZEDNH-UHFFFAOYSA-N 1 2 240.738 2.148 20 30 BEEDLO C=CC(C)(C)CCNc1[nH+]cnc(N)c1Cl ZINC000528075707 387835947 /nfs/dbraw/zinc/83/59/47/387835947.db2.gz SVVRYIXUKZEDNH-UHFFFAOYSA-N 1 2 240.738 2.148 20 30 BEEDLO C=CCCCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000442822656 387847510 /nfs/dbraw/zinc/84/75/10/387847510.db2.gz PDLWZWZFCZUDFC-JTQLQIEISA-N 1 2 221.304 2.333 20 30 BEEDLO N#CCC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444707422 387912503 /nfs/dbraw/zinc/91/25/03/387912503.db2.gz PPVDCPSVMOUZAJ-MRVPVSSYSA-N 1 2 206.211 2.174 20 30 BEEDLO N#CCC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444707422 387912508 /nfs/dbraw/zinc/91/25/08/387912508.db2.gz PPVDCPSVMOUZAJ-MRVPVSSYSA-N 1 2 206.211 2.174 20 30 BEEDLO C=CCCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000177752044 387921085 /nfs/dbraw/zinc/92/10/85/387921085.db2.gz HXZZLVBRHFROMD-UHFFFAOYSA-N 1 2 233.315 2.442 20 30 BEEDLO CC(C)(C)[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000447833964 388097256 /nfs/dbraw/zinc/09/72/56/388097256.db2.gz VFMKWEVVIPSCFR-OLZOCXBDSA-N 1 2 249.358 2.177 20 30 BEEDLO CC(C)(C)[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000447833964 388097260 /nfs/dbraw/zinc/09/72/60/388097260.db2.gz VFMKWEVVIPSCFR-OLZOCXBDSA-N 1 2 249.358 2.177 20 30 BEEDLO C=C(C)CCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000455322058 388156078 /nfs/dbraw/zinc/15/60/78/388156078.db2.gz JPWOLBQKWFPYIJ-UHFFFAOYSA-N 1 2 247.342 2.464 20 30 BEEDLO C=C(CC)CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000455531995 388162942 /nfs/dbraw/zinc/16/29/42/388162942.db2.gz IRTAHKPGDNHWTM-UHFFFAOYSA-N 1 2 247.342 2.464 20 30 BEEDLO C=CC[C@@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454513919 388121241 /nfs/dbraw/zinc/12/12/41/388121241.db2.gz BBBDNBVPMFPCHJ-LLVKDONJSA-N 1 2 247.342 2.462 20 30 BEEDLO COc1cc(F)cc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000449016979 388130154 /nfs/dbraw/zinc/13/01/54/388130154.db2.gz OOEMEOZWKSEJLP-JTQLQIEISA-N 1 2 236.290 2.426 20 30 BEEDLO COc1cc(F)cc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000449016979 388130157 /nfs/dbraw/zinc/13/01/57/388130157.db2.gz OOEMEOZWKSEJLP-JTQLQIEISA-N 1 2 236.290 2.426 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(C)n1C1CC1 ZINC000489421308 388212541 /nfs/dbraw/zinc/21/25/41/388212541.db2.gz CZZISBQGFNJGAT-GFCCVEGCSA-N 1 2 246.358 2.462 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(C)n1C1CC1 ZINC000489421308 388212543 /nfs/dbraw/zinc/21/25/43/388212543.db2.gz CZZISBQGFNJGAT-GFCCVEGCSA-N 1 2 246.358 2.462 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(CC)o1 ZINC000489463234 388216372 /nfs/dbraw/zinc/21/63/72/388216372.db2.gz ZNLHNBUNUBUZDX-JTQLQIEISA-N 1 2 221.304 2.173 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(CC)o1 ZINC000489463234 388216374 /nfs/dbraw/zinc/21/63/74/388216374.db2.gz ZNLHNBUNUBUZDX-JTQLQIEISA-N 1 2 221.304 2.173 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459479923 388246088 /nfs/dbraw/zinc/24/60/88/388246088.db2.gz NFGAJOJSTUPIHP-GFCCVEGCSA-N 1 2 230.315 2.136 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(C2CC2)cs1 ZINC000491287983 388282754 /nfs/dbraw/zinc/28/27/54/388282754.db2.gz OYMMKFJPRNIBEB-VIFPVBQESA-N 1 2 220.341 2.474 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(C2CC2)cs1 ZINC000491287983 388282756 /nfs/dbraw/zinc/28/27/56/388282756.db2.gz OYMMKFJPRNIBEB-VIFPVBQESA-N 1 2 220.341 2.474 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(F)cc1 ZINC000491352117 388287470 /nfs/dbraw/zinc/28/74/70/388287470.db2.gz XNCZKZCXWIHJRZ-CQSZACIVSA-N 1 2 243.285 2.023 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491439150 388295005 /nfs/dbraw/zinc/29/50/05/388295005.db2.gz HVKDLSGZGIKTPG-SECBINFHSA-N 1 2 236.246 2.187 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491439150 388295006 /nfs/dbraw/zinc/29/50/06/388295006.db2.gz HVKDLSGZGIKTPG-SECBINFHSA-N 1 2 236.246 2.187 20 30 BEEDLO C#CC[N@@H+](Cc1ncnn1CCC)C1CCCC1 ZINC000491463999 388296226 /nfs/dbraw/zinc/29/62/26/388296226.db2.gz PMBYNJHIAQXBEE-UHFFFAOYSA-N 1 2 246.358 2.066 20 30 BEEDLO C#CC[N@H+](Cc1ncnn1CCC)C1CCCC1 ZINC000491463999 388296228 /nfs/dbraw/zinc/29/62/28/388296228.db2.gz PMBYNJHIAQXBEE-UHFFFAOYSA-N 1 2 246.358 2.066 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1C/C=C\c1ccccc1 ZINC000491554759 388303747 /nfs/dbraw/zinc/30/37/47/388303747.db2.gz LWRHJDLBCQTSPB-AJHXJQRKSA-N 1 2 227.307 2.034 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1C/C=C\c1ccccc1 ZINC000491554759 388303748 /nfs/dbraw/zinc/30/37/48/388303748.db2.gz LWRHJDLBCQTSPB-AJHXJQRKSA-N 1 2 227.307 2.034 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000491635398 388306941 /nfs/dbraw/zinc/30/69/41/388306941.db2.gz UWXZTMLQTSJKPP-CQSZACIVSA-N 1 2 246.354 2.185 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000491635398 388306942 /nfs/dbraw/zinc/30/69/42/388306942.db2.gz UWXZTMLQTSJKPP-CQSZACIVSA-N 1 2 246.354 2.185 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CCCc1ccsc1 ZINC000491647585 388307798 /nfs/dbraw/zinc/30/77/98/388307798.db2.gz YIAJMKUBNBDWCY-ZDUSSCGKSA-N 1 2 235.352 2.015 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CCCc1ccsc1 ZINC000491647585 388307799 /nfs/dbraw/zinc/30/77/99/388307799.db2.gz YIAJMKUBNBDWCY-ZDUSSCGKSA-N 1 2 235.352 2.015 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(Cl)nc1 ZINC000490698191 256595747 /nfs/dbraw/zinc/59/57/47/256595747.db2.gz MSMLAWTXVYCOIP-UHFFFAOYSA-N 1 2 232.714 2.194 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(Cl)nc1 ZINC000490698191 256595749 /nfs/dbraw/zinc/59/57/49/256595749.db2.gz MSMLAWTXVYCOIP-UHFFFAOYSA-N 1 2 232.714 2.194 20 30 BEEDLO C#C[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000491671954 388309940 /nfs/dbraw/zinc/30/99/40/388309940.db2.gz GGZCHNDSTNJZNS-LLVKDONJSA-N 1 2 217.316 2.366 20 30 BEEDLO C#CC[NH+](CC#C)C[C@@]1(C)CC1(Cl)Cl ZINC000491702570 388312812 /nfs/dbraw/zinc/31/28/12/388312812.db2.gz WBGNSMWUWDFRBN-SNVBAGLBSA-N 1 2 230.138 2.139 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1oc(CC)nc1C ZINC000491729213 388315487 /nfs/dbraw/zinc/31/54/87/388315487.db2.gz NMDWSSCCROFYKI-UHFFFAOYSA-N 1 2 230.311 2.004 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1oc(CC)nc1C ZINC000491729213 388315488 /nfs/dbraw/zinc/31/54/88/388315488.db2.gz NMDWSSCCROFYKI-UHFFFAOYSA-N 1 2 230.311 2.004 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(CC)nc1 ZINC000491754072 388318167 /nfs/dbraw/zinc/31/81/67/388318167.db2.gz RGLCLHPZBHBBLR-UHFFFAOYSA-N 1 2 226.323 2.103 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(CC)nc1 ZINC000491754072 388318168 /nfs/dbraw/zinc/31/81/68/388318168.db2.gz RGLCLHPZBHBBLR-UHFFFAOYSA-N 1 2 226.323 2.103 20 30 BEEDLO C#C[C@H](C)N(C)c1[nH+]c2ccc(F)cc2n1C ZINC000491785347 388320891 /nfs/dbraw/zinc/32/08/91/388320891.db2.gz UPNLARZBRHBNHS-VIFPVBQESA-N 1 2 231.274 2.170 20 30 BEEDLO C#C[C@H](C)N(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000491096349 388269278 /nfs/dbraw/zinc/26/92/78/388269278.db2.gz RMNCXJJAUNFINK-JTQLQIEISA-N 1 2 231.299 2.184 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)[C@H](C)C(=O)OCCCC ZINC000491125366 388270865 /nfs/dbraw/zinc/27/08/65/388270865.db2.gz DOIUWBDTRJJGTJ-LLVKDONJSA-N 1 2 225.332 2.062 20 30 BEEDLO C#CC(C)(C)[N@H+](C)[C@H](C)C(=O)OCCCC ZINC000491125366 388270868 /nfs/dbraw/zinc/27/08/68/388270868.db2.gz DOIUWBDTRJJGTJ-LLVKDONJSA-N 1 2 225.332 2.062 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1c(F)cccc1F ZINC000491252771 388280418 /nfs/dbraw/zinc/28/04/18/388280418.db2.gz JVVDGBLKBYIMEX-VIFPVBQESA-N 1 2 209.239 2.418 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1c(F)cccc1F ZINC000491252771 388280421 /nfs/dbraw/zinc/28/04/21/388280421.db2.gz JVVDGBLKBYIMEX-VIFPVBQESA-N 1 2 209.239 2.418 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc[nH]n1 ZINC000442668835 388360240 /nfs/dbraw/zinc/36/02/40/388360240.db2.gz BJWKGHNDGPUVGY-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc[nH]n1 ZINC000442668835 388360241 /nfs/dbraw/zinc/36/02/41/388360241.db2.gz BJWKGHNDGPUVGY-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C=CCCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000517380589 388548849 /nfs/dbraw/zinc/54/88/49/388548849.db2.gz BFDHPIJFYAPHJY-UHFFFAOYSA-N 1 2 221.304 2.117 20 30 BEEDLO Cc1noc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)n1 ZINC000359721777 388630891 /nfs/dbraw/zinc/63/08/91/388630891.db2.gz UAAGDEKWNVUTGM-SSDOTTSWSA-N 1 2 248.311 2.162 20 30 BEEDLO Cc1nc(N(C)Cc2ccc(C#N)cc2)cc[nH+]1 ZINC000360218649 388633506 /nfs/dbraw/zinc/63/35/06/388633506.db2.gz QFIXBVQPAHXEGH-UHFFFAOYSA-N 1 2 238.294 2.293 20 30 BEEDLO Cc1ncccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000527794283 388701113 /nfs/dbraw/zinc/70/11/13/388701113.db2.gz XKRPYOXUJODODL-UHFFFAOYSA-N 1 2 244.323 2.008 20 30 BEEDLO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCO[C@@H](C#N)C1 ZINC000249143691 388710501 /nfs/dbraw/zinc/71/05/01/388710501.db2.gz YKFNYEXNZRUEBU-IHRRRGAJSA-N 1 2 234.343 2.203 20 30 BEEDLO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCO[C@@H](C#N)C1 ZINC000249143691 388710503 /nfs/dbraw/zinc/71/05/03/388710503.db2.gz YKFNYEXNZRUEBU-IHRRRGAJSA-N 1 2 234.343 2.203 20 30 BEEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)C1CC1 ZINC000540055114 388792496 /nfs/dbraw/zinc/79/24/96/388792496.db2.gz FUSLCMYFIPYKGC-UHFFFAOYSA-N 1 2 246.354 2.475 20 30 BEEDLO C=CC[N@H+](CC(=O)c1cc(C)n(C)c1C)C1CC1 ZINC000540055114 388792500 /nfs/dbraw/zinc/79/25/00/388792500.db2.gz FUSLCMYFIPYKGC-UHFFFAOYSA-N 1 2 246.354 2.475 20 30 BEEDLO C[N@H+](Cc1ccco1)Cc1ccc(C#N)cn1 ZINC000555674233 388813565 /nfs/dbraw/zinc/81/35/65/388813565.db2.gz MPCHIKIQRWQRGO-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C[N@@H+](Cc1ccco1)Cc1ccc(C#N)cn1 ZINC000555674233 388813569 /nfs/dbraw/zinc/81/35/69/388813569.db2.gz MPCHIKIQRWQRGO-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000556168872 388869478 /nfs/dbraw/zinc/86/94/78/388869478.db2.gz IWFQNRVFOKKHQM-UHFFFAOYSA-N 1 2 244.342 2.392 20 30 BEEDLO C=CCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565205711 388925419 /nfs/dbraw/zinc/92/54/19/388925419.db2.gz CVLOLQWEBWFBRH-GFCCVEGCSA-N 1 2 249.358 2.451 20 30 BEEDLO C=CCCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565205711 388925414 /nfs/dbraw/zinc/92/54/14/388925414.db2.gz CVLOLQWEBWFBRH-GFCCVEGCSA-N 1 2 249.358 2.451 20 30 BEEDLO Cc1ccn2c(CN(C)C[C@H](C)C#N)c[nH+]c2c1 ZINC000352092075 134061498 /nfs/dbraw/zinc/06/14/98/134061498.db2.gz NYOWUJDZOQWLEY-GFCCVEGCSA-N 1 2 242.326 2.234 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000336088416 134077554 /nfs/dbraw/zinc/07/75/54/134077554.db2.gz QMLDGIIRQIFECO-CYBMUJFWSA-N 1 2 248.351 2.231 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000336088416 134077555 /nfs/dbraw/zinc/07/75/55/134077555.db2.gz QMLDGIIRQIFECO-CYBMUJFWSA-N 1 2 248.351 2.231 20 30 BEEDLO Fc1ccc(C#CC[N@H+]2CC[C@@H](F)C2)cc1 ZINC000336262822 134141380 /nfs/dbraw/zinc/14/13/80/134141380.db2.gz WLCXSTNDQRIAPS-CYBMUJFWSA-N 1 2 221.250 2.221 20 30 BEEDLO Fc1ccc(C#CC[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000336262822 134141381 /nfs/dbraw/zinc/14/13/81/134141381.db2.gz WLCXSTNDQRIAPS-CYBMUJFWSA-N 1 2 221.250 2.221 20 30 BEEDLO CCC[N@H+](CC#N)C[C@H]1CCO[C@@H](C)C1 ZINC000352714222 134151497 /nfs/dbraw/zinc/15/14/97/134151497.db2.gz BEVVDIXUBRKMHW-RYUDHWBXSA-N 1 2 210.321 2.037 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@H]1CCO[C@@H](C)C1 ZINC000352714222 134151498 /nfs/dbraw/zinc/15/14/98/134151498.db2.gz BEVVDIXUBRKMHW-RYUDHWBXSA-N 1 2 210.321 2.037 20 30 BEEDLO C=C(C)CN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000302035339 134157107 /nfs/dbraw/zinc/15/71/07/134157107.db2.gz JSASCLAQGCLTFK-UHFFFAOYSA-N 1 2 228.299 2.224 20 30 BEEDLO C[N@H+](Cc1cnc2ccccn12)CC(C)(C)C#N ZINC000354017459 134166286 /nfs/dbraw/zinc/16/62/86/134166286.db2.gz KAHVSVBLRUNPQC-UHFFFAOYSA-N 1 2 242.326 2.316 20 30 BEEDLO C[N@@H+](Cc1cnc2ccccn12)CC(C)(C)C#N ZINC000354017459 134166287 /nfs/dbraw/zinc/16/62/87/134166287.db2.gz KAHVSVBLRUNPQC-UHFFFAOYSA-N 1 2 242.326 2.316 20 30 BEEDLO CN(Cc1c[nH+]c2ccccn12)CC(C)(C)C#N ZINC000354017459 134166288 /nfs/dbraw/zinc/16/62/88/134166288.db2.gz KAHVSVBLRUNPQC-UHFFFAOYSA-N 1 2 242.326 2.316 20 30 BEEDLO C=C[C@@H](CO)Nc1cc[nH+]c2c(OC)cccc12 ZINC000357591196 134184623 /nfs/dbraw/zinc/18/46/23/134184623.db2.gz HHCAHAAROMKLGK-JTQLQIEISA-N 1 2 244.294 2.202 20 30 BEEDLO CCC[N@@H+](CC#N)CCCc1ccncc1 ZINC000360458738 134200449 /nfs/dbraw/zinc/20/04/49/134200449.db2.gz ZYPJTTISCSRPFA-UHFFFAOYSA-N 1 2 217.316 2.250 20 30 BEEDLO CCC[N@H+](CC#N)CCCc1ccncc1 ZINC000360458738 134200450 /nfs/dbraw/zinc/20/04/50/134200450.db2.gz ZYPJTTISCSRPFA-UHFFFAOYSA-N 1 2 217.316 2.250 20 30 BEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCc2occc2C1 ZINC000368566670 134219172 /nfs/dbraw/zinc/21/91/72/134219172.db2.gz JQVOLMOYIWJXEO-LBPRGKRZSA-N 1 2 243.310 2.471 20 30 BEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCc2occc2C1 ZINC000368566670 134219173 /nfs/dbraw/zinc/21/91/73/134219173.db2.gz JQVOLMOYIWJXEO-LBPRGKRZSA-N 1 2 243.310 2.471 20 30 BEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCc2occc2C1 ZINC000368566669 134219279 /nfs/dbraw/zinc/21/92/79/134219279.db2.gz JQVOLMOYIWJXEO-GFCCVEGCSA-N 1 2 243.310 2.471 20 30 BEEDLO N#CCC[C@H](C#N)C[N@H+]1CCCc2occc2C1 ZINC000368566669 134219280 /nfs/dbraw/zinc/21/92/80/134219280.db2.gz JQVOLMOYIWJXEO-GFCCVEGCSA-N 1 2 243.310 2.471 20 30 BEEDLO CC(C)C[C@@H](C)C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000369192707 134221682 /nfs/dbraw/zinc/22/16/82/134221682.db2.gz HRQNAZRVMJEROV-UKRRQHHQSA-N 1 2 249.402 2.341 20 30 BEEDLO CC(C)C[C@@H](C)C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000369192707 134221683 /nfs/dbraw/zinc/22/16/83/134221683.db2.gz HRQNAZRVMJEROV-UKRRQHHQSA-N 1 2 249.402 2.341 20 30 BEEDLO C=C(C)COCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119317438 134226125 /nfs/dbraw/zinc/22/61/25/134226125.db2.gz GMBXFLUYBUABMI-UHFFFAOYSA-N 1 2 249.314 2.104 20 30 BEEDLO CC[N@@H+](Cc1c(C)n[nH]c1C)C[C@H](C)C#N ZINC000120529900 134229862 /nfs/dbraw/zinc/22/98/62/134229862.db2.gz WIZTXGZJSNEZJN-SECBINFHSA-N 1 2 220.320 2.008 20 30 BEEDLO CC[N@H+](Cc1c(C)n[nH]c1C)C[C@H](C)C#N ZINC000120529900 134229863 /nfs/dbraw/zinc/22/98/63/134229863.db2.gz WIZTXGZJSNEZJN-SECBINFHSA-N 1 2 220.320 2.008 20 30 BEEDLO C=C(C)Cn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000303095627 134232570 /nfs/dbraw/zinc/23/25/70/134232570.db2.gz PAVGSQMCRVDBQV-NSHDSACASA-N 1 2 245.326 2.405 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000168921998 134248616 /nfs/dbraw/zinc/24/86/16/134248616.db2.gz LIVDONPTJPGMBW-UHFFFAOYSA-N 1 2 233.271 2.234 20 30 BEEDLO N#C[C@@H]1C[N@H+](CC2CCCCC2)CCN1C1CC1 ZINC000360092579 134255117 /nfs/dbraw/zinc/25/51/17/134255117.db2.gz KDXUYJXBMSZPCT-OAHLLOKOSA-N 1 2 247.386 2.239 20 30 BEEDLO N#C[C@@H]1C[N@@H+](CC2CCCCC2)CCN1C1CC1 ZINC000360092579 134255118 /nfs/dbraw/zinc/25/51/18/134255118.db2.gz KDXUYJXBMSZPCT-OAHLLOKOSA-N 1 2 247.386 2.239 20 30 BEEDLO C=C(Br)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000171240041 134255795 /nfs/dbraw/zinc/25/57/95/134255795.db2.gz RIRRJAKUZMRCAZ-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@H+]1CCCO[C@@H](C)C1 ZINC000171240041 134255796 /nfs/dbraw/zinc/25/57/96/134255796.db2.gz RIRRJAKUZMRCAZ-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000223127792 134337216 /nfs/dbraw/zinc/33/72/16/134337216.db2.gz OUWQQHFMVGEIAI-MFKMUULPSA-N 1 2 234.274 2.313 20 30 BEEDLO CC[C@H]1COCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223541592 134340420 /nfs/dbraw/zinc/34/04/20/134340420.db2.gz ALSFVEGFGRWPQZ-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@H]1COCC[N@H+]1Cc1cccc(C#N)c1F ZINC000223541592 134340421 /nfs/dbraw/zinc/34/04/21/134340421.db2.gz ALSFVEGFGRWPQZ-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO CC#CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000309362298 134395971 /nfs/dbraw/zinc/39/59/71/134395971.db2.gz OYKDLRFBHOZHNP-UHFFFAOYSA-N 1 2 215.300 2.488 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000068607776 134399132 /nfs/dbraw/zinc/39/91/32/134399132.db2.gz IQGJUWPNLAPUIR-VXGBXAGGSA-N 1 2 246.310 2.060 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000068607776 134399133 /nfs/dbraw/zinc/39/91/33/134399133.db2.gz IQGJUWPNLAPUIR-VXGBXAGGSA-N 1 2 246.310 2.060 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000338353942 135034807 /nfs/dbraw/zinc/03/48/07/135034807.db2.gz QQPPTDMUYPIANE-JTQLQIEISA-N 1 2 246.358 2.161 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000338353942 135034809 /nfs/dbraw/zinc/03/48/09/135034809.db2.gz QQPPTDMUYPIANE-JTQLQIEISA-N 1 2 246.358 2.161 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077381818 135062752 /nfs/dbraw/zinc/06/27/52/135062752.db2.gz VCKTVLGCYQVJIC-GFCCVEGCSA-N 1 2 244.294 2.466 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077381818 135062755 /nfs/dbraw/zinc/06/27/55/135062755.db2.gz VCKTVLGCYQVJIC-GFCCVEGCSA-N 1 2 244.294 2.466 20 30 BEEDLO CC#CC[N@@H+](C)[C@H](CC)C(=O)OC(C)(C)C ZINC000339751062 135080187 /nfs/dbraw/zinc/08/01/87/135080187.db2.gz AVRFOXGMGRNADS-LLVKDONJSA-N 1 2 225.332 2.062 20 30 BEEDLO CC#CC[N@H+](C)[C@H](CC)C(=O)OC(C)(C)C ZINC000339751062 135080190 /nfs/dbraw/zinc/08/01/90/135080190.db2.gz AVRFOXGMGRNADS-LLVKDONJSA-N 1 2 225.332 2.062 20 30 BEEDLO N#CC1(C[N@@H+]2CCOC[C@H]2CC2CCC2)CC1 ZINC000339777224 135081225 /nfs/dbraw/zinc/08/12/25/135081225.db2.gz QWGQPZLYOMUURS-CYBMUJFWSA-N 1 2 234.343 2.181 20 30 BEEDLO N#CC1(C[N@H+]2CCOC[C@H]2CC2CCC2)CC1 ZINC000339777224 135081227 /nfs/dbraw/zinc/08/12/27/135081227.db2.gz QWGQPZLYOMUURS-CYBMUJFWSA-N 1 2 234.343 2.181 20 30 BEEDLO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC#N ZINC000266906177 135150553 /nfs/dbraw/zinc/15/05/53/135150553.db2.gz BKDGTXDKQGBHDT-OCCSQVGLSA-N 1 2 214.312 2.463 20 30 BEEDLO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC#N ZINC000266906177 135150555 /nfs/dbraw/zinc/15/05/55/135150555.db2.gz BKDGTXDKQGBHDT-OCCSQVGLSA-N 1 2 214.312 2.463 20 30 BEEDLO CCN(CCC#N)Cc1[nH+]ccn1C(C)C ZINC000267087105 135151006 /nfs/dbraw/zinc/15/10/06/135151006.db2.gz OSKZCUKJOJQZNS-UHFFFAOYSA-N 1 2 220.320 2.200 20 30 BEEDLO N#CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268262990 135157908 /nfs/dbraw/zinc/15/79/08/135157908.db2.gz LPPIWGSNJGQVQU-NWDGAFQWSA-N 1 2 234.299 2.081 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268262990 135157910 /nfs/dbraw/zinc/15/79/10/135157910.db2.gz LPPIWGSNJGQVQU-NWDGAFQWSA-N 1 2 234.299 2.081 20 30 BEEDLO COCc1cccc(C[N@H+](C)CCC#N)c1 ZINC000269708836 135167370 /nfs/dbraw/zinc/16/73/70/135167370.db2.gz OLGRMAKRQBIJRN-UHFFFAOYSA-N 1 2 218.300 2.178 20 30 BEEDLO COCc1cccc(C[N@@H+](C)CCC#N)c1 ZINC000269708836 135167371 /nfs/dbraw/zinc/16/73/71/135167371.db2.gz OLGRMAKRQBIJRN-UHFFFAOYSA-N 1 2 218.300 2.178 20 30 BEEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H]2CCOC2)c1 ZINC000298423660 135199228 /nfs/dbraw/zinc/19/92/28/135199228.db2.gz OUPFNSFZTIQYJJ-ZRRZQRFHSA-N 1 2 249.310 2.246 20 30 BEEDLO Cc1csc(C(C)(C)[NH2+]CCC#N)n1 ZINC000298569549 135199610 /nfs/dbraw/zinc/19/96/10/135199610.db2.gz IPGHGSQYAYTARJ-UHFFFAOYSA-N 1 2 209.318 2.190 20 30 BEEDLO Cc1cccnc1OC1CC[NH+](CCC#N)CC1 ZINC000298698202 135200386 /nfs/dbraw/zinc/20/03/86/135200386.db2.gz ZSHYFISLCZBNFB-UHFFFAOYSA-N 1 2 245.326 2.147 20 30 BEEDLO COCC[C@H]([NH2+]CCC#N)c1ccc(C)o1 ZINC000298844516 135201131 /nfs/dbraw/zinc/20/11/31/135201131.db2.gz IEHHRXCFYJGMMR-NSHDSACASA-N 1 2 222.288 2.169 20 30 BEEDLO Cc1csc(C2([NH2+]CCC#N)CCC2)n1 ZINC000299064668 135201345 /nfs/dbraw/zinc/20/13/45/135201345.db2.gz SQUJSLYTZJWMKD-UHFFFAOYSA-N 1 2 221.329 2.334 20 30 BEEDLO C=CC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1C ZINC000121418696 135223843 /nfs/dbraw/zinc/22/38/43/135223843.db2.gz MEBMDHKHFHRPAH-CYBMUJFWSA-N 1 2 233.311 2.327 20 30 BEEDLO C=CC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1C ZINC000121418696 135223844 /nfs/dbraw/zinc/22/38/44/135223844.db2.gz MEBMDHKHFHRPAH-CYBMUJFWSA-N 1 2 233.311 2.327 20 30 BEEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC000121452141 135223869 /nfs/dbraw/zinc/22/38/69/135223869.db2.gz KHFHNNLWLNEJIM-UHFFFAOYSA-N 1 2 248.326 2.060 20 30 BEEDLO C=CC[N@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC000121452141 135223870 /nfs/dbraw/zinc/22/38/70/135223870.db2.gz KHFHNNLWLNEJIM-UHFFFAOYSA-N 1 2 248.326 2.060 20 30 BEEDLO CO[C@@H](C[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000284245706 135371530 /nfs/dbraw/zinc/37/15/30/135371530.db2.gz CJXSSWAFRBBCFO-OCCSQVGLSA-N 1 2 232.327 2.466 20 30 BEEDLO CO[C@@H](C[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000284245706 135371532 /nfs/dbraw/zinc/37/15/32/135371532.db2.gz CJXSSWAFRBBCFO-OCCSQVGLSA-N 1 2 232.327 2.466 20 30 BEEDLO C=C[C@H](CO)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000289676060 135373626 /nfs/dbraw/zinc/37/36/26/135373626.db2.gz CBQHWZUWTWDBQB-SECBINFHSA-N 1 2 240.372 2.077 20 30 BEEDLO CCc1ccc(C[N@H+](C)[C@@H](C)CC#N)cn1 ZINC000347765029 136008454 /nfs/dbraw/zinc/00/84/54/136008454.db2.gz CIGWKODXTLUQQE-NSHDSACASA-N 1 2 217.316 2.378 20 30 BEEDLO CCc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cn1 ZINC000347765029 136008455 /nfs/dbraw/zinc/00/84/55/136008455.db2.gz CIGWKODXTLUQQE-NSHDSACASA-N 1 2 217.316 2.378 20 30 BEEDLO CCc1ccc([C@@H](COC)[NH2+]CC2(C#N)CC2)o1 ZINC000347843052 136012050 /nfs/dbraw/zinc/01/20/50/136012050.db2.gz IOKOIWALMXNONS-GFCCVEGCSA-N 1 2 248.326 2.423 20 30 BEEDLO COCC[C@H]([NH2+]CC1(C#N)CC1)c1ccco1 ZINC000347918617 136018308 /nfs/dbraw/zinc/01/83/08/136018308.db2.gz BFFQIQDIXSRLIV-NSHDSACASA-N 1 2 234.299 2.251 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)Nc1cc[nH+]cc1C ZINC000335389018 136089882 /nfs/dbraw/zinc/08/98/82/136089882.db2.gz KZIZHKHRLVDWCQ-LBPRGKRZSA-N 1 2 245.326 2.384 20 30 BEEDLO C=CC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187029821 397931335 /nfs/dbraw/zinc/93/13/35/397931335.db2.gz RZWQVTDLBOWHRD-VIFPVBQESA-N 1 2 226.370 2.419 20 30 BEEDLO C=CC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187029821 397931341 /nfs/dbraw/zinc/93/13/41/397931341.db2.gz RZWQVTDLBOWHRD-VIFPVBQESA-N 1 2 226.370 2.419 20 30 BEEDLO C=CCN(CC=C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000649571711 397962948 /nfs/dbraw/zinc/96/29/48/397962948.db2.gz UHJRLLSRBXEVSH-LBPRGKRZSA-N 1 2 233.315 2.035 20 30 BEEDLO COc1cccc2c1cc[nH+]c2NCCCC#N ZINC000450442316 397963619 /nfs/dbraw/zinc/96/36/19/397963619.db2.gz SMNYGCZBULIOAD-UHFFFAOYSA-N 1 2 241.294 2.381 20 30 BEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)co1 ZINC000595623316 397993323 /nfs/dbraw/zinc/99/33/23/397993323.db2.gz MIPRUUGENMGTTP-NSHDSACASA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)co1 ZINC000595623316 397993324 /nfs/dbraw/zinc/99/33/24/397993324.db2.gz MIPRUUGENMGTTP-NSHDSACASA-N 1 2 219.288 2.109 20 30 BEEDLO COc1ccc(C[N@H+](C)CCC#N)cc1F ZINC000034938193 398018105 /nfs/dbraw/zinc/01/81/05/398018105.db2.gz BIDYXAUYGJZMPM-UHFFFAOYSA-N 1 2 222.263 2.180 20 30 BEEDLO COc1ccc(C[N@@H+](C)CCC#N)cc1F ZINC000034938193 398018107 /nfs/dbraw/zinc/01/81/07/398018107.db2.gz BIDYXAUYGJZMPM-UHFFFAOYSA-N 1 2 222.263 2.180 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cn1nc(C(F)(F)F)cc1C ZINC000491800806 398074161 /nfs/dbraw/zinc/07/41/61/398074161.db2.gz ASIUPNMBBTWHHZ-QMMMGPOBSA-N 1 2 245.248 2.121 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cn1nc(C(F)(F)F)cc1C ZINC000491800806 398074165 /nfs/dbraw/zinc/07/41/65/398074165.db2.gz ASIUPNMBBTWHHZ-QMMMGPOBSA-N 1 2 245.248 2.121 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000334234873 398088680 /nfs/dbraw/zinc/08/86/80/398088680.db2.gz QIIFTQGAMOBUPH-OLZOCXBDSA-N 1 2 248.351 2.373 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000334234873 398088685 /nfs/dbraw/zinc/08/86/85/398088685.db2.gz QIIFTQGAMOBUPH-OLZOCXBDSA-N 1 2 248.351 2.373 20 30 BEEDLO C=CC[C@@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000680378993 487579920 /nfs/dbraw/zinc/57/99/20/487579920.db2.gz QNTQEMVMXFIQPU-JTQLQIEISA-N 1 2 235.331 2.123 20 30 BEEDLO CCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067202 410173540 /nfs/dbraw/zinc/17/35/40/410173540.db2.gz CKBATDJABDEBSK-UHFFFAOYSA-N 1 2 212.680 2.191 20 30 BEEDLO C#CC[C@@H]([NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC000271736062 166205253 /nfs/dbraw/zinc/20/52/53/166205253.db2.gz UBOSXIPXFJCIBI-CYBMUJFWSA-N 1 2 241.294 2.232 20 30 BEEDLO C(#Cc1ccccc1)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000276793087 166226224 /nfs/dbraw/zinc/22/62/24/166226224.db2.gz LCPAWJSWRNLZBV-JKSUJKDBSA-N 1 2 241.334 2.291 20 30 BEEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000276793087 166226226 /nfs/dbraw/zinc/22/62/26/166226226.db2.gz LCPAWJSWRNLZBV-JKSUJKDBSA-N 1 2 241.334 2.291 20 30 BEEDLO C=CCCCn1c2ccccc2[nH+]c1NCCO ZINC000265804532 166248599 /nfs/dbraw/zinc/24/85/99/166248599.db2.gz CXWGTDHZCUUCNB-UHFFFAOYSA-N 1 2 245.326 2.407 20 30 BEEDLO C=CCCN(C)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000276300996 166261628 /nfs/dbraw/zinc/26/16/28/166261628.db2.gz LNSQYWOGRIVPNB-UHFFFAOYSA-N 1 2 249.362 2.073 20 30 BEEDLO C=CCCN(C)c1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000276300996 166261633 /nfs/dbraw/zinc/26/16/33/166261633.db2.gz LNSQYWOGRIVPNB-UHFFFAOYSA-N 1 2 249.362 2.073 20 30 BEEDLO C=CC[N@H+](CCc1ccco1)Cc1ccon1 ZINC000272220566 166342886 /nfs/dbraw/zinc/34/28/86/166342886.db2.gz BYKDPMFYTUQCOH-UHFFFAOYSA-N 1 2 232.283 2.498 20 30 BEEDLO C=CC[N@@H+](CCc1ccco1)Cc1ccon1 ZINC000272220566 166342889 /nfs/dbraw/zinc/34/28/89/166342889.db2.gz BYKDPMFYTUQCOH-UHFFFAOYSA-N 1 2 232.283 2.498 20 30 BEEDLO C=CC[N@@H+](Cc1nc(CCC)no1)C1CC1 ZINC000271368346 166348003 /nfs/dbraw/zinc/34/80/03/166348003.db2.gz GIPXCKUYVUZRSZ-UHFFFAOYSA-N 1 2 221.304 2.173 20 30 BEEDLO C=CC[N@H+](Cc1nc(CCC)no1)C1CC1 ZINC000271368346 166348005 /nfs/dbraw/zinc/34/80/05/166348005.db2.gz GIPXCKUYVUZRSZ-UHFFFAOYSA-N 1 2 221.304 2.173 20 30 BEEDLO C=CC[N@@H+](Cc1ncc(Cl)n1C)C1CC1 ZINC000271493322 166348824 /nfs/dbraw/zinc/34/88/24/166348824.db2.gz UVBBQSJMRHSRSS-UHFFFAOYSA-N 1 2 225.723 2.224 20 30 BEEDLO C=CC[N@H+](Cc1ncc(Cl)n1C)C1CC1 ZINC000271493322 166348826 /nfs/dbraw/zinc/34/88/26/166348826.db2.gz UVBBQSJMRHSRSS-UHFFFAOYSA-N 1 2 225.723 2.224 20 30 BEEDLO CC(C)O[NH+]=C(N)c1cccc(Cl)c1 ZINC000082533733 167151850 /nfs/dbraw/zinc/15/18/50/167151850.db2.gz HDIRSXZAPNXGJV-UHFFFAOYSA-N 1 2 212.680 2.385 20 30 BEEDLO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cn[nH]c1C ZINC000651452886 411035924 /nfs/dbraw/zinc/03/59/24/411035924.db2.gz YYDGHGNJBFNQGL-WQAKAFBOSA-N 1 2 235.331 2.102 20 30 BEEDLO C=CCCn1cc(C[N@H+]2CCC=C(C)C2)nn1 ZINC000653656505 411159191 /nfs/dbraw/zinc/15/91/91/411159191.db2.gz FWBCRFIAUIFLIT-UHFFFAOYSA-N 1 2 232.331 2.006 20 30 BEEDLO C=CCCn1cc(C[N@@H+]2CCC=C(C)C2)nn1 ZINC000653656505 411159194 /nfs/dbraw/zinc/15/91/94/411159194.db2.gz FWBCRFIAUIFLIT-UHFFFAOYSA-N 1 2 232.331 2.006 20 30 BEEDLO C=CCOCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653830714 411195443 /nfs/dbraw/zinc/19/54/43/411195443.db2.gz GTZHUEKFMZJWFH-UHFFFAOYSA-N 1 2 239.265 2.483 20 30 BEEDLO C=CCCCCCNc1nc[nH+]c(N)c1OC ZINC000656210686 411210569 /nfs/dbraw/zinc/21/05/69/411210569.db2.gz DKZRUYCKKISERG-UHFFFAOYSA-N 1 2 236.319 2.226 20 30 BEEDLO C=CCCCCCNc1[nH+]cnc(N)c1OC ZINC000656210686 411210571 /nfs/dbraw/zinc/21/05/71/411210571.db2.gz DKZRUYCKKISERG-UHFFFAOYSA-N 1 2 236.319 2.226 20 30 BEEDLO C=CCCn1cc(CNc2c[nH+]cc(C)c2)nn1 ZINC000656771839 411364282 /nfs/dbraw/zinc/36/42/82/411364282.db2.gz KTVAPYFVJBCEEY-UHFFFAOYSA-N 1 2 243.314 2.170 20 30 BEEDLO C=C1CC[NH+](Cc2nc(C)oc2C)CC1 ZINC000659909622 411380008 /nfs/dbraw/zinc/38/00/08/411380008.db2.gz GHPTWRJCOKVWTI-UHFFFAOYSA-N 1 2 206.289 2.443 20 30 BEEDLO CC1=CC[N@H+](Cc2nc(C#N)cs2)CC1 ZINC000334845835 168114833 /nfs/dbraw/zinc/11/48/33/168114833.db2.gz VHIHREAWVISQNF-UHFFFAOYSA-N 1 2 219.313 2.167 20 30 BEEDLO CC1=CC[N@@H+](Cc2nc(C#N)cs2)CC1 ZINC000334845835 168114835 /nfs/dbraw/zinc/11/48/35/168114835.db2.gz VHIHREAWVISQNF-UHFFFAOYSA-N 1 2 219.313 2.167 20 30 BEEDLO C=CC[N@H+](Cc1coc(C)n1)[C@@H](C)COC ZINC000661239486 411740338 /nfs/dbraw/zinc/74/03/38/411740338.db2.gz GPTCJKRSAXDBJH-JTQLQIEISA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[N@@H+](Cc1coc(C)n1)[C@@H](C)COC ZINC000661239486 411740343 /nfs/dbraw/zinc/74/03/43/411740343.db2.gz GPTCJKRSAXDBJH-JTQLQIEISA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[C@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000661378317 411760298 /nfs/dbraw/zinc/76/02/98/411760298.db2.gz COHNMDBFKNQDLA-NSHDSACASA-N 1 2 221.304 2.166 20 30 BEEDLO C=CC[C@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000661378317 411760300 /nfs/dbraw/zinc/76/03/00/411760300.db2.gz COHNMDBFKNQDLA-NSHDSACASA-N 1 2 221.304 2.166 20 30 BEEDLO C[C@H](C#N)[N@H+](CC1CCC(=O)CC1)C1CC1 ZINC000661555927 411801417 /nfs/dbraw/zinc/80/14/17/411801417.db2.gz CHYRURJHKJPWJI-SNVBAGLBSA-N 1 2 220.316 2.122 20 30 BEEDLO C[C@H](C#N)[N@@H+](CC1CCC(=O)CC1)C1CC1 ZINC000661555927 411801418 /nfs/dbraw/zinc/80/14/18/411801418.db2.gz CHYRURJHKJPWJI-SNVBAGLBSA-N 1 2 220.316 2.122 20 30 BEEDLO C=C(C)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662232158 412031942 /nfs/dbraw/zinc/03/19/42/412031942.db2.gz WNLHJVPRHUPAMH-VIFPVBQESA-N 1 2 223.238 2.216 20 30 BEEDLO C=C(C)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662232158 412031943 /nfs/dbraw/zinc/03/19/43/412031943.db2.gz WNLHJVPRHUPAMH-VIFPVBQESA-N 1 2 223.238 2.216 20 30 BEEDLO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000292345459 171021892 /nfs/dbraw/zinc/02/18/92/171021892.db2.gz HARJPWMYFCGGDY-SNVBAGLBSA-N 1 2 249.339 2.043 20 30 BEEDLO CC[C@@H]1CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000292345459 171021897 /nfs/dbraw/zinc/02/18/97/171021897.db2.gz HARJPWMYFCGGDY-SNVBAGLBSA-N 1 2 249.339 2.043 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@@H](C)O1 ZINC000245567259 171089199 /nfs/dbraw/zinc/08/91/99/171089199.db2.gz UHPQXQYDPOQSCQ-GHMZBOCLSA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@@H](C)O1 ZINC000245567259 171089201 /nfs/dbraw/zinc/08/92/01/171089201.db2.gz UHPQXQYDPOQSCQ-GHMZBOCLSA-N 1 2 234.299 2.151 20 30 BEEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(C)no1 ZINC000662450312 412179852 /nfs/dbraw/zinc/17/98/52/412179852.db2.gz YSHJCEUCAQSPQQ-VIFPVBQESA-N 1 2 207.277 2.113 20 30 BEEDLO CCc1nocc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000354354278 172096622 /nfs/dbraw/zinc/09/66/22/172096622.db2.gz CAKDLZUDMHMISL-UHFFFAOYSA-N 1 2 245.282 2.334 20 30 BEEDLO CCc1nocc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000354354278 172096625 /nfs/dbraw/zinc/09/66/25/172096625.db2.gz CAKDLZUDMHMISL-UHFFFAOYSA-N 1 2 245.282 2.334 20 30 BEEDLO CCn1cc[nH+]c1CNc1nc(C)ccc1C#N ZINC000294997848 172226148 /nfs/dbraw/zinc/22/61/48/172226148.db2.gz NWYBVIWCBBCPIY-UHFFFAOYSA-N 1 2 241.298 2.090 20 30 BEEDLO CC#CCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662225794 487625696 /nfs/dbraw/zinc/62/56/96/487625696.db2.gz ALHNSSTZXPWWPT-JTQLQIEISA-N 1 2 235.249 2.053 20 30 BEEDLO CC#CCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662225794 487625690 /nfs/dbraw/zinc/62/56/90/487625690.db2.gz ALHNSSTZXPWWPT-JTQLQIEISA-N 1 2 235.249 2.053 20 30 BEEDLO COc1ccccc1C[N@H+](C)CCC#N ZINC000042207268 175324921 /nfs/dbraw/zinc/32/49/21/175324921.db2.gz IKNDXJQTPZIYAD-UHFFFAOYSA-N 1 2 204.273 2.041 20 30 BEEDLO COc1ccccc1C[N@@H+](C)CCC#N ZINC000042207268 175324923 /nfs/dbraw/zinc/32/49/23/175324923.db2.gz IKNDXJQTPZIYAD-UHFFFAOYSA-N 1 2 204.273 2.041 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577737 176597547 /nfs/dbraw/zinc/59/75/47/176597547.db2.gz WQQIHWGJWNDWCC-MRVPVSSYSA-N 1 2 210.227 2.357 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H](C)N1C ZINC000336380074 177260443 /nfs/dbraw/zinc/26/04/43/177260443.db2.gz BEYPMBMLNINENU-PHIMTYICSA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](C)N1C ZINC000336380074 177260444 /nfs/dbraw/zinc/26/04/44/177260444.db2.gz BEYPMBMLNINENU-PHIMTYICSA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000267430214 177290602 /nfs/dbraw/zinc/29/06/02/177290602.db2.gz WMEQLOLVRCGBQI-LBPRGKRZSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000267430214 177290603 /nfs/dbraw/zinc/29/06/03/177290603.db2.gz WMEQLOLVRCGBQI-LBPRGKRZSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(C#N)s1 ZINC000130004064 177299094 /nfs/dbraw/zinc/29/90/94/177299094.db2.gz JHEJNGACCYVBKX-AOOOYVTPSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(C#N)s1 ZINC000130004064 177299095 /nfs/dbraw/zinc/29/90/95/177299095.db2.gz JHEJNGACCYVBKX-AOOOYVTPSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1sccc1C#N ZINC000336567602 177320009 /nfs/dbraw/zinc/32/00/09/177320009.db2.gz RXRPDZGVNSYVAH-DTORHVGOSA-N 1 2 249.339 2.041 20 30 BEEDLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000336567602 177320011 /nfs/dbraw/zinc/32/00/11/177320011.db2.gz RXRPDZGVNSYVAH-DTORHVGOSA-N 1 2 249.339 2.041 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)C/C=C\c1ccncc1 ZINC000494997412 226274035 /nfs/dbraw/zinc/27/40/35/226274035.db2.gz PGVQQNNCHSROTQ-MVZIDQBPSA-N 1 2 215.300 2.329 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)C/C=C\c1ccncc1 ZINC000494997412 226274036 /nfs/dbraw/zinc/27/40/36/226274036.db2.gz PGVQQNNCHSROTQ-MVZIDQBPSA-N 1 2 215.300 2.329 20 30 BEEDLO C=CCCCCn1ncc2c1nc[nH+]c2NC ZINC000557248380 322935678 /nfs/dbraw/zinc/93/56/78/322935678.db2.gz WAEXXEALYJMZDQ-UHFFFAOYSA-N 1 2 231.303 2.224 20 30 BEEDLO CC#CCC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000680884675 487664478 /nfs/dbraw/zinc/66/44/78/487664478.db2.gz PBVVSHCMCUXMSB-NXEZZACHSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CCC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000680884675 487664481 /nfs/dbraw/zinc/66/44/81/487664481.db2.gz PBVVSHCMCUXMSB-NXEZZACHSA-N 1 2 235.249 2.051 20 30 BEEDLO Cc1cc(N[C@H]2CCC[C@@H]2C)c(C#N)c[nH+]1 ZINC000399457293 267301505 /nfs/dbraw/zinc/30/15/05/267301505.db2.gz OXIUTMWUJBPWOH-CABZTGNLSA-N 1 2 215.300 2.284 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861955 527275908 /nfs/dbraw/zinc/27/59/08/527275908.db2.gz KGADLZQRXOASNG-AEZGRPFRSA-N 1 2 233.315 2.284 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000852102114 588663151 /nfs/dbraw/zinc/66/31/51/588663151.db2.gz VXFGJRVXINVWNE-JQWIXIFHSA-N 1 2 206.289 2.436 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCc3ncsc3C2)o1 ZINC000438376502 487859234 /nfs/dbraw/zinc/85/92/34/487859234.db2.gz PEILHAIXVLBWKS-UHFFFAOYSA-N 1 2 245.307 2.166 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCc3ncsc3C2)o1 ZINC000438376502 487859239 /nfs/dbraw/zinc/85/92/39/487859239.db2.gz PEILHAIXVLBWKS-UHFFFAOYSA-N 1 2 245.307 2.166 20 30 BEEDLO N#CC[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000595609207 487871798 /nfs/dbraw/zinc/87/17/98/487871798.db2.gz HWHOJBNDZXKUIO-SNVBAGLBSA-N 1 2 221.329 2.269 20 30 BEEDLO N#CC[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000595609207 487871804 /nfs/dbraw/zinc/87/18/04/487871804.db2.gz HWHOJBNDZXKUIO-SNVBAGLBSA-N 1 2 221.329 2.269 20 30 BEEDLO C=CCCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000652406632 487946929 /nfs/dbraw/zinc/94/69/29/487946929.db2.gz CECXVPPIGHWXOE-UHFFFAOYSA-N 1 2 221.304 2.036 20 30 BEEDLO C=CC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000155960856 323003047 /nfs/dbraw/zinc/00/30/47/323003047.db2.gz FNFSXZDBGAMOKF-UHFFFAOYSA-N 1 2 237.734 2.043 20 30 BEEDLO CC#CC[N@@H+](CCC)CC(=O)OC(C)(C)C ZINC000160331595 323064803 /nfs/dbraw/zinc/06/48/03/323064803.db2.gz JJIJXHPKPOOSQR-UHFFFAOYSA-N 1 2 225.332 2.063 20 30 BEEDLO CC#CC[N@H+](CCC)CC(=O)OC(C)(C)C ZINC000160331595 323064804 /nfs/dbraw/zinc/06/48/04/323064804.db2.gz JJIJXHPKPOOSQR-UHFFFAOYSA-N 1 2 225.332 2.063 20 30 BEEDLO C[N@@H+](Cc1cccc(O)c1)C[C@H](C#N)CCC#N ZINC000531378177 323088303 /nfs/dbraw/zinc/08/83/03/323088303.db2.gz DIMQJMNIAJCJPY-ZDUSSCGKSA-N 1 2 243.310 2.268 20 30 BEEDLO C[N@H+](Cc1cccc(O)c1)C[C@H](C#N)CCC#N ZINC000531378177 323088304 /nfs/dbraw/zinc/08/83/04/323088304.db2.gz DIMQJMNIAJCJPY-ZDUSSCGKSA-N 1 2 243.310 2.268 20 30 BEEDLO N#CCc1cc[nH+]c(NCC2(F)CC2)c1 ZINC000308925703 323181710 /nfs/dbraw/zinc/18/17/10/323181710.db2.gz KMTPPCYTWYHRQX-UHFFFAOYSA-N 1 2 205.236 2.062 20 30 BEEDLO CC1(C)CCC[C@H](C[N@@H+]2CCO[C@H](C#N)C2)C1 ZINC000535834021 323193099 /nfs/dbraw/zinc/19/30/99/323193099.db2.gz VVAKVLBIWWZONQ-QWHCGFSZSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCC[C@H](C[N@H+]2CCO[C@H](C#N)C2)C1 ZINC000535834021 323193100 /nfs/dbraw/zinc/19/31/00/323193100.db2.gz VVAKVLBIWWZONQ-QWHCGFSZSA-N 1 2 236.359 2.427 20 30 BEEDLO CCCc1csc(C[NH2+]C[C@H](C)C#N)n1 ZINC000309026542 323194503 /nfs/dbraw/zinc/19/45/03/323194503.db2.gz AWZOCRZYLJZVDS-SECBINFHSA-N 1 2 223.345 2.345 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1cccn1C ZINC000536645390 323199412 /nfs/dbraw/zinc/19/94/12/323199412.db2.gz VVEPNVOJHOSRJF-UHFFFAOYSA-N 1 2 205.305 2.149 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1cccn1C ZINC000536645390 323199413 /nfs/dbraw/zinc/19/94/13/323199413.db2.gz VVEPNVOJHOSRJF-UHFFFAOYSA-N 1 2 205.305 2.149 20 30 BEEDLO COc1cc[nH+]cc1Cn1cc(C)c(C#N)c1 ZINC000571677770 323326646 /nfs/dbraw/zinc/32/66/46/323326646.db2.gz QBUAAHGGZUNIEU-UHFFFAOYSA-N 1 2 227.267 2.120 20 30 BEEDLO CCCc1nc(C[NH+]2CCC(CC#N)CC2)no1 ZINC000541954168 325000889 /nfs/dbraw/zinc/00/08/89/325000889.db2.gz GMEKLZCNOAUVIY-UHFFFAOYSA-N 1 2 248.330 2.148 20 30 BEEDLO N#CCC1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000543806591 325115172 /nfs/dbraw/zinc/11/51/72/325115172.db2.gz FVBINJLDLXLHSY-UHFFFAOYSA-N 1 2 246.314 2.073 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(F)c(F)c1 ZINC000076185218 325335388 /nfs/dbraw/zinc/33/53/88/325335388.db2.gz KIFUQZUCHHRPTI-UHFFFAOYSA-N 1 2 219.234 2.033 20 30 BEEDLO CC#CCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000547318216 325340000 /nfs/dbraw/zinc/34/00/00/325340000.db2.gz IVKFIWCOQMNVHO-UHFFFAOYSA-N 1 2 248.395 2.279 20 30 BEEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccccn1 ZINC000135124353 325396043 /nfs/dbraw/zinc/39/60/43/325396043.db2.gz GVXRMGAYLJTSDL-JTQLQIEISA-N 1 2 227.267 2.397 20 30 BEEDLO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]CCC#N ZINC000566129233 326000380 /nfs/dbraw/zinc/00/03/80/326000380.db2.gz ATQVVNILDVJFIJ-PRHODGIISA-N 1 2 220.247 2.151 20 30 BEEDLO Cc1cc(N)nc(SCC(C)(C)CC#N)[nH+]1 ZINC000566495529 326058193 /nfs/dbraw/zinc/05/81/93/326058193.db2.gz GZMAHRDQZCTBRG-UHFFFAOYSA-N 1 2 236.344 2.230 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1cnc(C)cn1 ZINC000566687901 326074771 /nfs/dbraw/zinc/07/47/71/326074771.db2.gz RUUXAFJUANJISS-GHMZBOCLSA-N 1 2 218.304 2.128 20 30 BEEDLO CC(C)[N@H+](CCCC#N)CC(=O)OC(C)(C)C ZINC000153971393 326122765 /nfs/dbraw/zinc/12/27/65/326122765.db2.gz KQPQTTFTLHGQEI-UHFFFAOYSA-N 1 2 240.347 2.342 20 30 BEEDLO CC(C)[N@@H+](CCCC#N)CC(=O)OC(C)(C)C ZINC000153971393 326122767 /nfs/dbraw/zinc/12/27/67/326122767.db2.gz KQPQTTFTLHGQEI-UHFFFAOYSA-N 1 2 240.347 2.342 20 30 BEEDLO C[N@H+](CCC(F)(F)F)Cc1ccc(C#N)cn1 ZINC000567327423 326162033 /nfs/dbraw/zinc/16/20/33/326162033.db2.gz AXMUUDPJUBEIGV-UHFFFAOYSA-N 1 2 243.232 2.337 20 30 BEEDLO C[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)cn1 ZINC000567327423 326162034 /nfs/dbraw/zinc/16/20/34/326162034.db2.gz AXMUUDPJUBEIGV-UHFFFAOYSA-N 1 2 243.232 2.337 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(C(C)=O)no1 ZINC000568162880 326317108 /nfs/dbraw/zinc/31/71/08/326317108.db2.gz JCJJRZVXZDSHBR-NSHDSACASA-N 1 2 234.299 2.418 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C(C)=O)no1 ZINC000568162880 326317109 /nfs/dbraw/zinc/31/71/09/326317109.db2.gz JCJJRZVXZDSHBR-NSHDSACASA-N 1 2 234.299 2.418 20 30 BEEDLO C[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)CC2(CCC2)O1 ZINC000568627616 326368494 /nfs/dbraw/zinc/36/84/94/326368494.db2.gz DUXYBDYWLTWQGX-QWHCGFSZSA-N 1 2 247.342 2.073 20 30 BEEDLO C[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC2(CCC2)O1 ZINC000568627616 326368495 /nfs/dbraw/zinc/36/84/95/326368495.db2.gz DUXYBDYWLTWQGX-QWHCGFSZSA-N 1 2 247.342 2.073 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000677133268 487980263 /nfs/dbraw/zinc/98/02/63/487980263.db2.gz PJPSXDJXQVYXLY-STQMWFEESA-N 1 2 231.343 2.391 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000677133268 487980268 /nfs/dbraw/zinc/98/02/68/487980268.db2.gz PJPSXDJXQVYXLY-STQMWFEESA-N 1 2 231.343 2.391 20 30 BEEDLO C#CC[N@H+](Cc1ccno1)Cc1ccc(F)cc1 ZINC000490852788 488026019 /nfs/dbraw/zinc/02/60/19/488026019.db2.gz NOZXBXNMMDLGMY-UHFFFAOYSA-N 1 2 244.269 2.449 20 30 BEEDLO C#CC[N@@H+](Cc1ccno1)Cc1ccc(F)cc1 ZINC000490852788 488026026 /nfs/dbraw/zinc/02/60/26/488026026.db2.gz NOZXBXNMMDLGMY-UHFFFAOYSA-N 1 2 244.269 2.449 20 30 BEEDLO C=CCC1(C(=O)NCc2c[nH+]cn2C)CCCC1 ZINC000451817960 488114128 /nfs/dbraw/zinc/11/41/28/488114128.db2.gz VAXAWFALBHZPSS-UHFFFAOYSA-N 1 2 247.342 2.173 20 30 BEEDLO C=CC[N@H+](Cc1cn(C2CCC2)nn1)C1CC1 ZINC000667981442 488173969 /nfs/dbraw/zinc/17/39/69/488173969.db2.gz NAAXPFWLQCGBEZ-UHFFFAOYSA-N 1 2 232.331 2.154 20 30 BEEDLO C=CC[N@@H+](Cc1cn(C2CCC2)nn1)C1CC1 ZINC000667981442 488173975 /nfs/dbraw/zinc/17/39/75/488173975.db2.gz NAAXPFWLQCGBEZ-UHFFFAOYSA-N 1 2 232.331 2.154 20 30 BEEDLO Cc1[nH+]c2ccccc2n1[C@@H](C(=O)NO)C(C)C ZINC000671996186 488234763 /nfs/dbraw/zinc/23/47/63/488234763.db2.gz QSFRLJHBIJXUKB-GFCCVEGCSA-N 1 2 247.298 2.047 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(CC)[nH+]cn1 ZINC000684764750 488340793 /nfs/dbraw/zinc/34/07/93/488340793.db2.gz RYFFSBFVNKZHNL-FZMZJTMJSA-N 1 2 247.342 2.432 20 30 BEEDLO C=CCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000665946381 490239172 /nfs/dbraw/zinc/23/91/72/490239172.db2.gz WWMXCCNFXITEFE-NSHDSACASA-N 1 2 248.330 2.222 20 30 BEEDLO C=CCN(C(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000073172325 490425795 /nfs/dbraw/zinc/42/57/95/490425795.db2.gz PUUAEADULUZWAO-UHFFFAOYSA-N 1 2 241.294 2.102 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc2c1OCO2 ZINC000040667390 535725925 /nfs/dbraw/zinc/72/59/25/535725925.db2.gz FJMREVQWGPZPRJ-NSHDSACASA-N 1 2 232.283 2.197 20 30 BEEDLO CCOc1ccc(C[N@H+](CC)CCC#N)o1 ZINC000891578679 582699319 /nfs/dbraw/zinc/69/93/19/582699319.db2.gz NVJZRZPTFQVMKT-UHFFFAOYSA-N 1 2 222.288 2.414 20 30 BEEDLO CCOc1ccc(C[N@@H+](CC)CCC#N)o1 ZINC000891578679 582699320 /nfs/dbraw/zinc/69/93/20/582699320.db2.gz NVJZRZPTFQVMKT-UHFFFAOYSA-N 1 2 222.288 2.414 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000891934205 582739738 /nfs/dbraw/zinc/73/97/38/582739738.db2.gz RQUJZUUBRQZKBU-SECBINFHSA-N 1 2 222.263 2.265 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)o1 ZINC000891933926 582740960 /nfs/dbraw/zinc/74/09/60/582740960.db2.gz OZXQVMSXXUBRSB-SECBINFHSA-N 1 2 208.261 2.022 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)o1 ZINC000891933926 582740962 /nfs/dbraw/zinc/74/09/62/582740962.db2.gz OZXQVMSXXUBRSB-SECBINFHSA-N 1 2 208.261 2.022 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000284301161 536057515 /nfs/dbraw/zinc/05/75/15/536057515.db2.gz IUQLKKGZUJLDIJ-GFCCVEGCSA-N 1 2 242.326 2.425 20 30 BEEDLO CC[C@H](CC#N)NCc1cn2cc(C)ccc2[nH+]1 ZINC000284301161 536057518 /nfs/dbraw/zinc/05/75/18/536057518.db2.gz IUQLKKGZUJLDIJ-GFCCVEGCSA-N 1 2 242.326 2.425 20 30 BEEDLO C[N@H+](CCC#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296487793 536301182 /nfs/dbraw/zinc/30/11/82/536301182.db2.gz YRZIMIFEJAWHQY-GFCCVEGCSA-N 1 2 238.718 2.219 20 30 BEEDLO C[N@@H+](CCC#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296487793 536301183 /nfs/dbraw/zinc/30/11/83/536301183.db2.gz YRZIMIFEJAWHQY-GFCCVEGCSA-N 1 2 238.718 2.219 20 30 BEEDLO C=C(CNC(=O)c1c[nH+]c(C)[nH]1)c1ccccc1 ZINC000360206524 534435314 /nfs/dbraw/zinc/43/53/14/534435314.db2.gz AOPUESSASBOECI-UHFFFAOYSA-N 1 2 241.294 2.161 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000366375649 534443062 /nfs/dbraw/zinc/44/30/62/534443062.db2.gz KVSVWKWLJVHONY-MWLCHTKSSA-N 1 2 215.724 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000366375649 534443072 /nfs/dbraw/zinc/44/30/72/534443072.db2.gz KVSVWKWLJVHONY-MWLCHTKSSA-N 1 2 215.724 2.238 20 30 BEEDLO C=C1CCN(c2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000335858147 534468069 /nfs/dbraw/zinc/46/80/69/534468069.db2.gz AUPJNSGKGLMDCC-UHFFFAOYSA-N 1 2 228.299 2.423 20 30 BEEDLO C=CCC(F)(F)C(=O)Nc1c[nH+]ccc1OC ZINC000293373684 534576589 /nfs/dbraw/zinc/57/65/89/534576589.db2.gz JJIWEPVWFOFBBZ-UHFFFAOYSA-N 1 2 242.225 2.240 20 30 BEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cccc[nH+]1 ZINC000336269799 534577029 /nfs/dbraw/zinc/57/70/29/534577029.db2.gz NFEDLJUYWXREHQ-MNOVXSKESA-N 1 2 204.273 2.227 20 30 BEEDLO C=CCCCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341684538 534662084 /nfs/dbraw/zinc/66/20/84/534662084.db2.gz BUANWHWHSXNNSR-CYBMUJFWSA-N 1 2 247.342 2.344 20 30 BEEDLO C=CCCCCCCNC(=O)Cn1cc[nH+]c1 ZINC000286543531 534670831 /nfs/dbraw/zinc/67/08/31/534670831.db2.gz AAZDOWXSAXDLKY-UHFFFAOYSA-N 1 2 235.331 2.136 20 30 BEEDLO Cc1cccc(N2CC[NH+](CCC#N)CC2)c1C ZINC000031945986 524552701 /nfs/dbraw/zinc/55/27/01/524552701.db2.gz FDCGEVGDWGRLQG-UHFFFAOYSA-N 1 2 243.354 2.339 20 30 BEEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000121412680 534815738 /nfs/dbraw/zinc/81/57/38/534815738.db2.gz LVBAOVCWOKPQQR-JTQLQIEISA-N 1 2 244.298 2.310 20 30 BEEDLO C=CC[N@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000121412680 534815746 /nfs/dbraw/zinc/81/57/46/534815746.db2.gz LVBAOVCWOKPQQR-JTQLQIEISA-N 1 2 244.298 2.310 20 30 BEEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000121433679 534816822 /nfs/dbraw/zinc/81/68/22/534816822.db2.gz BDFYFQLCTGQWAB-VIFPVBQESA-N 1 2 209.293 2.372 20 30 BEEDLO C=CC[N@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000121433679 534816829 /nfs/dbraw/zinc/81/68/29/534816829.db2.gz BDFYFQLCTGQWAB-VIFPVBQESA-N 1 2 209.293 2.372 20 30 BEEDLO C=CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000335703617 534849860 /nfs/dbraw/zinc/84/98/60/534849860.db2.gz YZYDMGYSXVRUDX-CQSZACIVSA-N 1 2 228.295 2.118 20 30 BEEDLO C=CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000335703617 534849863 /nfs/dbraw/zinc/84/98/63/534849863.db2.gz YZYDMGYSXVRUDX-CQSZACIVSA-N 1 2 228.295 2.118 20 30 BEEDLO C=CC[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000336124770 534855436 /nfs/dbraw/zinc/85/54/36/534855436.db2.gz BEDDWOOTVVVFBV-MRVPVSSYSA-N 1 2 223.238 2.214 20 30 BEEDLO C=CC[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000336124770 534855438 /nfs/dbraw/zinc/85/54/38/534855438.db2.gz BEDDWOOTVVVFBV-MRVPVSSYSA-N 1 2 223.238 2.214 20 30 BEEDLO CC(=O)c1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000297034314 534887761 /nfs/dbraw/zinc/88/77/61/534887761.db2.gz HMYSADLWBOUUMV-NSHDSACASA-N 1 2 230.311 2.481 20 30 BEEDLO CC(=O)c1cccc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000297034314 534887762 /nfs/dbraw/zinc/88/77/62/534887762.db2.gz HMYSADLWBOUUMV-NSHDSACASA-N 1 2 230.311 2.481 20 30 BEEDLO C#CC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000309008252 527060328 /nfs/dbraw/zinc/06/03/28/527060328.db2.gz QUYNMLXIKZLELB-LURJTMIESA-N 1 2 234.246 2.446 20 30 BEEDLO C=CCCCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493727915 527136811 /nfs/dbraw/zinc/13/68/11/527136811.db2.gz QZLWBHBVJPUYFH-BQYQJAHWSA-N 1 2 233.315 2.286 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000491714384 527213072 /nfs/dbraw/zinc/21/30/72/527213072.db2.gz MPCZLUDJBYAZMU-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000491714384 527213077 /nfs/dbraw/zinc/21/30/77/527213077.db2.gz MPCZLUDJBYAZMU-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@H](CCC)[NH2+][C@@H](CCCC)C(=O)OC ZINC000300399619 527377326 /nfs/dbraw/zinc/37/73/26/527377326.db2.gz ZSFNLQCHTHCOTK-NEPJUHHUSA-N 1 2 225.332 2.110 20 30 BEEDLO CCC[C@H](C)C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000378442935 535610028 /nfs/dbraw/zinc/61/00/28/535610028.db2.gz LQTKHWJPBBGJTD-GXTWGEPZSA-N 1 2 235.375 2.095 20 30 BEEDLO CCC[C@H](C)C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000378442935 535610030 /nfs/dbraw/zinc/61/00/30/535610030.db2.gz LQTKHWJPBBGJTD-GXTWGEPZSA-N 1 2 235.375 2.095 20 30 BEEDLO CCc1nocc1C[NH2+][C@@H](CC)CC#N ZINC000352917816 535906453 /nfs/dbraw/zinc/90/64/53/535906453.db2.gz ZPUCLIQMGRSVHG-JTQLQIEISA-N 1 2 207.277 2.019 20 30 BEEDLO CO[C@H](C[N@H+](C)CCC#N)c1ccccc1 ZINC000284330749 536554642 /nfs/dbraw/zinc/55/46/42/536554642.db2.gz IRKYHMNYLAPSDB-CYBMUJFWSA-N 1 2 218.300 2.220 20 30 BEEDLO CO[C@H](C[N@@H+](C)CCC#N)c1ccccc1 ZINC000284330749 536554648 /nfs/dbraw/zinc/55/46/48/536554648.db2.gz IRKYHMNYLAPSDB-CYBMUJFWSA-N 1 2 218.300 2.220 20 30 BEEDLO COc1cc(C)c(C[N@H+](C)CCC#N)cc1OC ZINC000119994158 536565767 /nfs/dbraw/zinc/56/57/67/536565767.db2.gz LJWJCIMBEJLTJI-UHFFFAOYSA-N 1 2 248.326 2.358 20 30 BEEDLO COc1cc(C)c(C[N@@H+](C)CCC#N)cc1OC ZINC000119994158 536565775 /nfs/dbraw/zinc/56/57/75/536565775.db2.gz LJWJCIMBEJLTJI-UHFFFAOYSA-N 1 2 248.326 2.358 20 30 BEEDLO COC[C@H]([NH2+]CCC#N)c1ccc(F)c(F)c1 ZINC000298877419 536876289 /nfs/dbraw/zinc/87/62/89/536876289.db2.gz JYHKZTAQQJBIRH-LBPRGKRZSA-N 1 2 240.253 2.156 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1c(Cl)c(C)nn1C ZINC000893607569 583172413 /nfs/dbraw/zinc/17/24/13/583172413.db2.gz XYZFJQJUONEXRC-VIFPVBQESA-N 1 2 240.738 2.164 20 30 BEEDLO C=C(C)Cn1nc(C)c([C@@H]2COCC[N@H+]2C)c1C ZINC000852963665 588714750 /nfs/dbraw/zinc/71/47/50/588714750.db2.gz WOSGFGWNQZFDHZ-ZDUSSCGKSA-N 1 2 249.358 2.079 20 30 BEEDLO C=C(C)Cn1nc(C)c([C@@H]2COCC[N@@H+]2C)c1C ZINC000852963665 588714751 /nfs/dbraw/zinc/71/47/51/588714751.db2.gz WOSGFGWNQZFDHZ-ZDUSSCGKSA-N 1 2 249.358 2.079 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cn1ncc(Cl)c1C1CC1 ZINC000853509325 588746811 /nfs/dbraw/zinc/74/68/11/588746811.db2.gz SMHSDDGWRBGGTP-VIFPVBQESA-N 1 2 237.734 2.325 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cn1ncc(Cl)c1C1CC1 ZINC000853509325 588746812 /nfs/dbraw/zinc/74/68/12/588746812.db2.gz SMHSDDGWRBGGTP-VIFPVBQESA-N 1 2 237.734 2.325 20 30 BEEDLO N#CCC1(CO[NH+]=C(N)c2cccc(F)c2)CC1 ZINC000853662521 588753765 /nfs/dbraw/zinc/75/37/65/588753765.db2.gz ILPQDJDMFYDPDR-UHFFFAOYSA-N 1 2 247.273 2.366 20 30 BEEDLO C#CCCOc1ccc2c(c1)[nH+]c(C)n2C ZINC000853706028 588758098 /nfs/dbraw/zinc/75/80/98/588758098.db2.gz GYBLXXKUVKBMDG-UHFFFAOYSA-N 1 2 214.268 2.284 20 30 BEEDLO CC(C)OC(=O)CC/[NH+]=C/c1ccccc1O ZINC000112308332 588790174 /nfs/dbraw/zinc/79/01/74/588790174.db2.gz LQIPQGFXUMPHQN-NTEUORMPSA-N 1 2 235.283 2.153 20 30 BEEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000855174950 588825545 /nfs/dbraw/zinc/82/55/45/588825545.db2.gz YMHHIYJJRUYBAQ-RYUDHWBXSA-N 1 2 247.342 2.203 20 30 BEEDLO C=CC[C@@H]1CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000890545969 582469242 /nfs/dbraw/zinc/46/92/42/582469242.db2.gz LPTODUISORBKMT-LLVKDONJSA-N 1 2 241.294 2.354 20 30 BEEDLO C=CC[C@@H]1CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000890555875 582475679 /nfs/dbraw/zinc/47/56/79/582475679.db2.gz PAGQBXWFPGZLQA-LLVKDONJSA-N 1 2 241.294 2.125 20 30 BEEDLO Cc1ccc(NC(=O)CCCC#N)c(N(C)C)[nH+]1 ZINC000813083730 582575157 /nfs/dbraw/zinc/57/51/57/582575157.db2.gz VRDLOOOGKHMQKJ-UHFFFAOYSA-N 1 2 246.314 2.088 20 30 BEEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@]1(C)CC)C(=O)OC ZINC000845983914 582642168 /nfs/dbraw/zinc/64/21/68/582642168.db2.gz XJKAJQWTKNKECR-SGMGOOAPSA-N 1 2 237.343 2.110 20 30 BEEDLO C[C@H]1C[N@H+](Cc2csc(C#N)c2)[C@@H](C)CO1 ZINC000891669864 582708634 /nfs/dbraw/zinc/70/86/34/582708634.db2.gz FVFPQXWALHVOQT-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)[C@@H](C)CO1 ZINC000891669864 582708636 /nfs/dbraw/zinc/70/86/36/582708636.db2.gz FVFPQXWALHVOQT-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO CC[N@H+](CC#N)CC1(CCCOC)CCC1 ZINC000891777436 582719165 /nfs/dbraw/zinc/71/91/65/582719165.db2.gz AUUHKMHDFIQKCK-UHFFFAOYSA-N 1 2 224.348 2.429 20 30 BEEDLO CC[N@@H+](CC#N)CC1(CCCOC)CCC1 ZINC000891777436 582719166 /nfs/dbraw/zinc/71/91/66/582719166.db2.gz AUUHKMHDFIQKCK-UHFFFAOYSA-N 1 2 224.348 2.429 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnn(C)c1C1CC1 ZINC000891934349 582739676 /nfs/dbraw/zinc/73/96/76/582739676.db2.gz RYJIDLJERVCHCT-JTQLQIEISA-N 1 2 232.331 2.031 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnn(C)c1C1CC1 ZINC000891934349 582739678 /nfs/dbraw/zinc/73/96/78/582739678.db2.gz RYJIDLJERVCHCT-JTQLQIEISA-N 1 2 232.331 2.031 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(O)c(F)c1 ZINC000891934205 582739737 /nfs/dbraw/zinc/73/97/37/582739737.db2.gz RQUJZUUBRQZKBU-SECBINFHSA-N 1 2 222.263 2.265 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc2c1OCC2 ZINC000891934455 582740217 /nfs/dbraw/zinc/74/02/17/582740217.db2.gz TXOMSQGGKFDTGM-LLVKDONJSA-N 1 2 230.311 2.355 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc2c1OCC2 ZINC000891934455 582740218 /nfs/dbraw/zinc/74/02/18/582740218.db2.gz TXOMSQGGKFDTGM-LLVKDONJSA-N 1 2 230.311 2.355 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cn2ccnc2s1 ZINC000891934957 582740907 /nfs/dbraw/zinc/74/09/07/582740907.db2.gz YHTOIGFNCVLBNI-VIFPVBQESA-N 1 2 234.328 2.130 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cn2ccnc2s1 ZINC000891934957 582740908 /nfs/dbraw/zinc/74/09/08/582740908.db2.gz YHTOIGFNCVLBNI-VIFPVBQESA-N 1 2 234.328 2.130 20 30 BEEDLO CCn1cc(C[N@H+](CCC#N)CC2CC2)c(C)n1 ZINC000891937542 582741408 /nfs/dbraw/zinc/74/14/08/582741408.db2.gz MLCNCAKRVLTWTJ-UHFFFAOYSA-N 1 2 246.358 2.337 20 30 BEEDLO CCn1cc(C[N@@H+](CCC#N)CC2CC2)c(C)n1 ZINC000891937542 582741409 /nfs/dbraw/zinc/74/14/09/582741409.db2.gz MLCNCAKRVLTWTJ-UHFFFAOYSA-N 1 2 246.358 2.337 20 30 BEEDLO C(=NNCCCn1cc[nH+]c1)[C@@H]1CC=CCC1 ZINC000848420115 582777041 /nfs/dbraw/zinc/77/70/41/582777041.db2.gz PRIFIHJKGGJNHB-CYBMUJFWSA-N 1 2 232.331 2.205 20 30 BEEDLO C=CCSCCNc1cccc([C@H](C)O)[nH+]1 ZINC000892098509 582790631 /nfs/dbraw/zinc/79/06/31/582790631.db2.gz GAKWLUDFTLBSEO-JTQLQIEISA-N 1 2 238.356 2.466 20 30 BEEDLO C#CCCCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856281870 588867092 /nfs/dbraw/zinc/86/70/92/588867092.db2.gz SXJRSKGPVKLUMM-GFCCVEGCSA-N 1 2 247.342 2.181 20 30 BEEDLO CCn1c[nH+]cc1C=NN1CCCC[C@@H]1C ZINC000853385310 583045687 /nfs/dbraw/zinc/04/56/87/583045687.db2.gz VDUNRJXFKYZWDA-NSHDSACASA-N 1 2 220.320 2.111 20 30 BEEDLO CC1CC(C/[NH+]=C/c2ccc(O)c(O)c2O)C1 ZINC000856718093 588875119 /nfs/dbraw/zinc/87/51/19/588875119.db2.gz KEDQVCHOHFUHOQ-VGOFMYFVSA-N 1 2 235.283 2.268 20 30 BEEDLO C#CCN(C)c1cc(Br)cc(C)[nH+]1 ZINC000893442129 583144624 /nfs/dbraw/zinc/14/46/24/583144624.db2.gz JNAFYAPVFDBKDD-UHFFFAOYSA-N 1 2 239.116 2.222 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000893544439 583160134 /nfs/dbraw/zinc/16/01/34/583160134.db2.gz KUJFRHIXHJEGCE-ZETCQYMHSA-N 1 2 238.722 2.190 20 30 BEEDLO Cc1ccnc(N)c1C[N@@H+](CCC#N)CC(C)C ZINC000893880534 583239886 /nfs/dbraw/zinc/23/98/86/583239886.db2.gz JEGXSHKJZLKJMW-UHFFFAOYSA-N 1 2 246.358 2.344 20 30 BEEDLO Cc1ccnc(N)c1C[N@H+](CCC#N)CC(C)C ZINC000893880534 583239890 /nfs/dbraw/zinc/23/98/90/583239890.db2.gz JEGXSHKJZLKJMW-UHFFFAOYSA-N 1 2 246.358 2.344 20 30 BEEDLO Cc1cc[nH+]c(N)c1CN(CCC#N)CC(C)C ZINC000893880534 583239892 /nfs/dbraw/zinc/23/98/92/583239892.db2.gz JEGXSHKJZLKJMW-UHFFFAOYSA-N 1 2 246.358 2.344 20 30 BEEDLO Cc1ncoc1C[N@@H+](CCC#N)C(C)C ZINC000893960607 583262242 /nfs/dbraw/zinc/26/22/42/583262242.db2.gz XWOZLIWMOXRIEC-UHFFFAOYSA-N 1 2 207.277 2.107 20 30 BEEDLO Cc1ncoc1C[N@H+](CCC#N)C(C)C ZINC000893960607 583262247 /nfs/dbraw/zinc/26/22/47/583262247.db2.gz XWOZLIWMOXRIEC-UHFFFAOYSA-N 1 2 207.277 2.107 20 30 BEEDLO CC(C)c1c[nH]c(CN(C)[C@H](C)CC#N)[nH+]1 ZINC000894002645 583271924 /nfs/dbraw/zinc/27/19/24/583271924.db2.gz UOEOBBXWXYFBCM-SNVBAGLBSA-N 1 2 220.320 2.267 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000894060426 583292543 /nfs/dbraw/zinc/29/25/43/583292543.db2.gz RNLNOYDHZKZCHB-SNVBAGLBSA-N 1 2 220.316 2.426 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000894060426 583292546 /nfs/dbraw/zinc/29/25/46/583292546.db2.gz RNLNOYDHZKZCHB-SNVBAGLBSA-N 1 2 220.316 2.426 20 30 BEEDLO CC(C)[C@H](O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000878814008 583404765 /nfs/dbraw/zinc/40/47/65/583404765.db2.gz VHNJAVBZPRZYBJ-OAHLLOKOSA-N 1 2 244.338 2.281 20 30 BEEDLO CC(C)[C@H](O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000878814008 583404767 /nfs/dbraw/zinc/40/47/67/583404767.db2.gz VHNJAVBZPRZYBJ-OAHLLOKOSA-N 1 2 244.338 2.281 20 30 BEEDLO C#C[C@H](CC)[NH2+]Cc1nnc(C(C)C)s1 ZINC000894387587 583444278 /nfs/dbraw/zinc/44/42/78/583444278.db2.gz QKEQCJHMUYYZHZ-SECBINFHSA-N 1 2 223.345 2.163 20 30 BEEDLO COc1cc(C)cc(C[NH2+]CCC#N)c1OC ZINC000894580233 583488308 /nfs/dbraw/zinc/48/83/08/583488308.db2.gz RJVOGLZEJKWLAL-UHFFFAOYSA-N 1 2 234.299 2.016 20 30 BEEDLO COc1nccc(C[NH2+]CC2(C#N)CCC2)c1F ZINC000894965504 583559924 /nfs/dbraw/zinc/55/99/24/583559924.db2.gz HCVLTHWHEAHFTR-UHFFFAOYSA-N 1 2 249.289 2.013 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857856820 588913390 /nfs/dbraw/zinc/91/33/90/588913390.db2.gz CXQLOINGYVJNJO-SECBINFHSA-N 1 2 211.696 2.129 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857856820 588913391 /nfs/dbraw/zinc/91/33/91/588913391.db2.gz CXQLOINGYVJNJO-SECBINFHSA-N 1 2 211.696 2.129 20 30 BEEDLO C#C[C@H]1CC[C@H](Nc2cc(N(C)C)nc[nH+]2)CC1 ZINC000895092443 583587162 /nfs/dbraw/zinc/58/71/62/583587162.db2.gz RHNQRMKWZVOMFP-HAQNSBGRSA-N 1 2 244.342 2.147 20 30 BEEDLO C#C[C@H]1CC[C@H](Nc2cc(N(C)C)[nH+]cn2)CC1 ZINC000895092443 583587163 /nfs/dbraw/zinc/58/71/63/583587163.db2.gz RHNQRMKWZVOMFP-HAQNSBGRSA-N 1 2 244.342 2.147 20 30 BEEDLO C[C@@H]1CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)C1 ZINC000814885549 583596214 /nfs/dbraw/zinc/59/62/14/583596214.db2.gz CYZQJSZKEXORST-USWWRNFRSA-N 1 2 234.347 2.022 20 30 BEEDLO Cc1ncoc1C[NH2+]CC1(C#N)CCCC1 ZINC000895134282 583601980 /nfs/dbraw/zinc/60/19/80/583601980.db2.gz ZDAJCFAJOKAPJA-UHFFFAOYSA-N 1 2 219.288 2.157 20 30 BEEDLO FC1(F)CC12C[NH+](CC#Cc1ccccc1)C2 ZINC000895198772 583623458 /nfs/dbraw/zinc/62/34/58/583623458.db2.gz CQEMWXRFCMCFHC-UHFFFAOYSA-N 1 2 233.261 2.379 20 30 BEEDLO N#CCC1C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000895254748 583633906 /nfs/dbraw/zinc/63/39/06/583633906.db2.gz VJFRJWZJQKLSPX-UHFFFAOYSA-N 1 2 238.237 2.016 20 30 BEEDLO Cc1coc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000895336444 583653393 /nfs/dbraw/zinc/65/33/93/583653393.db2.gz WFVSHTWOEKYUEX-LBPRGKRZSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1coc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000895336444 583653396 /nfs/dbraw/zinc/65/33/96/583653396.db2.gz WFVSHTWOEKYUEX-LBPRGKRZSA-N 1 2 204.273 2.324 20 30 BEEDLO C#CCC[N@@H+](CCOC)Cc1nc(C(C)C)c[nH]1 ZINC000895349789 583656306 /nfs/dbraw/zinc/65/63/06/583656306.db2.gz ISAHJKKVYXZWPJ-UHFFFAOYSA-N 1 2 249.358 2.005 20 30 BEEDLO C#CCC[N@H+](CCOC)Cc1nc(C(C)C)c[nH]1 ZINC000895349789 583656308 /nfs/dbraw/zinc/65/63/08/583656308.db2.gz ISAHJKKVYXZWPJ-UHFFFAOYSA-N 1 2 249.358 2.005 20 30 BEEDLO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H]1C(F)F ZINC000895433158 583671804 /nfs/dbraw/zinc/67/18/04/583671804.db2.gz UEGVWIMDYFCMRK-DTWKUNHWSA-N 1 2 202.248 2.266 20 30 BEEDLO C[C@@H](CCC#N)C[N@H+]1CC[C@@H]1C(F)F ZINC000895433158 583671807 /nfs/dbraw/zinc/67/18/07/583671807.db2.gz UEGVWIMDYFCMRK-DTWKUNHWSA-N 1 2 202.248 2.266 20 30 BEEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000895450321 583675731 /nfs/dbraw/zinc/67/57/31/583675731.db2.gz FPRJFCMIRRWMPO-LBPRGKRZSA-N 1 2 220.272 2.024 20 30 BEEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000895450321 583675733 /nfs/dbraw/zinc/67/57/33/583675733.db2.gz FPRJFCMIRRWMPO-LBPRGKRZSA-N 1 2 220.272 2.024 20 30 BEEDLO CCOc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000895450798 583676290 /nfs/dbraw/zinc/67/62/90/583676290.db2.gz NXCQBFUKXDRDHG-ZDUSSCGKSA-N 1 2 234.299 2.414 20 30 BEEDLO CCOc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000895450798 583676291 /nfs/dbraw/zinc/67/62/91/583676291.db2.gz NXCQBFUKXDRDHG-ZDUSSCGKSA-N 1 2 234.299 2.414 20 30 BEEDLO N#C[C@@H]1CCCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000895650282 583699741 /nfs/dbraw/zinc/69/97/41/583699741.db2.gz UYMBMVCCNXNZDA-QMMMGPOBSA-N 1 2 236.706 2.057 20 30 BEEDLO C#CC[N@@H+](Cc1ccc(C)o1)C1CSC1 ZINC000895814192 583733984 /nfs/dbraw/zinc/73/39/84/583733984.db2.gz OJRRLGHGWSFJBU-UHFFFAOYSA-N 1 2 221.325 2.139 20 30 BEEDLO C#CC[N@H+](Cc1ccc(C)o1)C1CSC1 ZINC000895814192 583733985 /nfs/dbraw/zinc/73/39/85/583733985.db2.gz OJRRLGHGWSFJBU-UHFFFAOYSA-N 1 2 221.325 2.139 20 30 BEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979022 588927157 /nfs/dbraw/zinc/92/71/57/588927157.db2.gz SIUDTEWSDDGWEA-SNVBAGLBSA-N 1 2 233.315 2.046 20 30 BEEDLO C=CCC(CC=C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857982688 588927866 /nfs/dbraw/zinc/92/78/66/588927866.db2.gz LMTBTJBXVQEAHG-LBPRGKRZSA-N 1 2 245.326 2.213 20 30 BEEDLO C=C1CCC(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000896357896 583796503 /nfs/dbraw/zinc/79/65/03/583796503.db2.gz RWRDKEKSHTWMDP-UHFFFAOYSA-N 1 2 245.326 2.013 20 30 BEEDLO CC(C)c1c[nH]c(CN2CCC[C@H](C#N)C2)[nH+]1 ZINC000896500276 583807086 /nfs/dbraw/zinc/80/70/86/583807086.db2.gz BUQDZWAOLHGCGE-LLVKDONJSA-N 1 2 232.331 2.269 20 30 BEEDLO COc1cncc(C[N@@H+]2CCC[C@@H](C#N)C2)c1C ZINC000896500608 583807164 /nfs/dbraw/zinc/80/71/64/583807164.db2.gz IDPOEMNYJCIAQG-LBPRGKRZSA-N 1 2 245.326 2.134 20 30 BEEDLO COc1cncc(C[N@H+]2CCC[C@@H](C#N)C2)c1C ZINC000896500608 583807166 /nfs/dbraw/zinc/80/71/66/583807166.db2.gz IDPOEMNYJCIAQG-LBPRGKRZSA-N 1 2 245.326 2.134 20 30 BEEDLO C=C1CCC(C(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000896801878 583834981 /nfs/dbraw/zinc/83/49/81/583834981.db2.gz TUFYZOGYWGDRIM-UHFFFAOYSA-N 1 2 233.315 2.081 20 30 BEEDLO C[C@@H](F)CC/[NH+]=C/c1cccc(O)c1O ZINC000840707605 583849247 /nfs/dbraw/zinc/84/92/47/583849247.db2.gz WVZCKUMPMWLHLV-OREIZAMCSA-N 1 2 211.236 2.265 20 30 BEEDLO Oc1cccc(/C=[NH+]\CCC[C@@H]2CCOC2)c1O ZINC000840710983 583872819 /nfs/dbraw/zinc/87/28/19/583872819.db2.gz TVECIPUVFFIVRH-PDICVPPASA-N 1 2 249.310 2.333 20 30 BEEDLO C#CC[N@@H+](Cc1cc(OC)cnc1F)C(C)C ZINC000897171416 583888981 /nfs/dbraw/zinc/88/89/81/583888981.db2.gz YQLJQPRWKDYFRH-UHFFFAOYSA-N 1 2 236.290 2.073 20 30 BEEDLO C#CC[N@H+](Cc1cc(OC)cnc1F)C(C)C ZINC000897171416 583888984 /nfs/dbraw/zinc/88/89/84/583888984.db2.gz YQLJQPRWKDYFRH-UHFFFAOYSA-N 1 2 236.290 2.073 20 30 BEEDLO C#CC[N@H+](Cc1nccn1C1CC1)C(C)C ZINC000897170922 583889573 /nfs/dbraw/zinc/88/95/73/583889573.db2.gz LJUZNNXRRBOTCV-UHFFFAOYSA-N 1 2 217.316 2.062 20 30 BEEDLO C#CC[N@@H+](Cc1nccn1C1CC1)C(C)C ZINC000897170922 583889575 /nfs/dbraw/zinc/88/95/75/583889575.db2.gz LJUZNNXRRBOTCV-UHFFFAOYSA-N 1 2 217.316 2.062 20 30 BEEDLO CCc1nc(NCC#C[C@@H]2CCCCO2)cc[nH+]1 ZINC000897455446 583987475 /nfs/dbraw/zinc/98/74/75/583987475.db2.gz SEPXNIGHSNVUEJ-LBPRGKRZSA-N 1 2 245.326 2.023 20 30 BEEDLO CCC[C@H](C)C[N@H+]1CCO[C@@](C)(C#N)C1 ZINC000897584460 584021790 /nfs/dbraw/zinc/02/17/90/584021790.db2.gz HDTQNQQVJPRHDD-RYUDHWBXSA-N 1 2 210.321 2.037 20 30 BEEDLO CCC[C@H](C)C[N@@H+]1CCO[C@@](C)(C#N)C1 ZINC000897584460 584021788 /nfs/dbraw/zinc/02/17/88/584021788.db2.gz HDTQNQQVJPRHDD-RYUDHWBXSA-N 1 2 210.321 2.037 20 30 BEEDLO CC(C)C1(C[N@@H+]2CCO[C@](C)(C#N)C2)CC1 ZINC000897588613 584023206 /nfs/dbraw/zinc/02/32/06/584023206.db2.gz IDQYJILXSZBLQN-GFCCVEGCSA-N 1 2 222.332 2.037 20 30 BEEDLO CC(C)C1(C[N@H+]2CCO[C@](C)(C#N)C2)CC1 ZINC000897588613 584023209 /nfs/dbraw/zinc/02/32/09/584023209.db2.gz IDQYJILXSZBLQN-GFCCVEGCSA-N 1 2 222.332 2.037 20 30 BEEDLO C#CC[C@@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000858598360 588970326 /nfs/dbraw/zinc/97/03/26/588970326.db2.gz DDPXHKKYACUXNH-GFCCVEGCSA-N 1 2 230.311 2.330 20 30 BEEDLO C=CCN(C(=O)c1ccc(C)[nH+]c1NC)C(C)C ZINC000900565435 584325477 /nfs/dbraw/zinc/32/54/77/584325477.db2.gz BROOZRMKVUROEZ-UHFFFAOYSA-N 1 2 247.342 2.468 20 30 BEEDLO C#CC[C@H](CCOC)Nc1cc[nH+]c(C2CC2)n1 ZINC000858856113 588979328 /nfs/dbraw/zinc/97/93/28/588979328.db2.gz CDUVKRWMJXBCGL-GFCCVEGCSA-N 1 2 245.326 2.194 20 30 BEEDLO C#CC[C@H](COC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000858859439 588979696 /nfs/dbraw/zinc/97/96/96/588979696.db2.gz MBBRJNHDRVPERE-GFCCVEGCSA-N 1 2 245.326 2.113 20 30 BEEDLO C#CC[C@@H](COC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000858859440 588979803 /nfs/dbraw/zinc/97/98/03/588979803.db2.gz MBBRJNHDRVPERE-LBPRGKRZSA-N 1 2 245.326 2.113 20 30 BEEDLO CCn1c[nH+]c(CN=Nc2cccc(C)n2)c1 ZINC000901268318 584418265 /nfs/dbraw/zinc/41/82/65/584418265.db2.gz YIEZRVGMGKOBNM-UHFFFAOYSA-N 1 2 229.287 2.052 20 30 BEEDLO C(=[NH+]n1nnc2c1CCCC2)[C@@H]1CC=CCC1 ZINC000901334169 584425584 /nfs/dbraw/zinc/42/55/84/584425584.db2.gz QYCXKBIJXNZNJZ-LLVKDONJSA-N 1 2 230.315 2.347 20 30 BEEDLO CC(C)c1c[nH]c(C=CC(=O)c2ccnn2C)[nH+]1 ZINC000901498604 584454452 /nfs/dbraw/zinc/45/44/52/584454452.db2.gz GOCRLBLYDBBNHT-SNAWJCMRSA-N 1 2 244.298 2.163 20 30 BEEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ncco1 ZINC000901514698 584461403 /nfs/dbraw/zinc/46/14/03/584461403.db2.gz IJEKDONFBHTHOR-ARJAWSKDSA-N 1 2 231.255 2.348 20 30 BEEDLO CCc1onc(C)c1C[NH2+]C[C@H](C#N)CCC#N ZINC000901633874 584472862 /nfs/dbraw/zinc/47/28/62/584472862.db2.gz MPRDKXXXRNBBJA-NSHDSACASA-N 1 2 246.314 2.079 20 30 BEEDLO C#CCCCOc1ccc2c(c1)[nH+]cn2C ZINC000902780991 584670408 /nfs/dbraw/zinc/67/04/08/584670408.db2.gz ARWVMHRNNLIPIG-UHFFFAOYSA-N 1 2 214.268 2.366 20 30 BEEDLO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1nccn1C ZINC000903032953 584718601 /nfs/dbraw/zinc/71/86/01/584718601.db2.gz NDAQAKMJNJGSKA-LLVKDONJSA-N 1 2 232.331 2.155 20 30 BEEDLO C[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)c2nccn21 ZINC000903035415 584719149 /nfs/dbraw/zinc/71/91/49/584719149.db2.gz OTDSQDVQUQKOHS-QWRGUYRKSA-N 1 2 230.315 2.172 20 30 BEEDLO CCn1ccnc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903101538 584727085 /nfs/dbraw/zinc/72/70/85/584727085.db2.gz IGWMUKZGBIEIRO-SNVBAGLBSA-N 1 2 220.320 2.103 20 30 BEEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1cc(C#N)ccn1 ZINC000903101535 584727319 /nfs/dbraw/zinc/72/73/19/584727319.db2.gz IFZNMFWBSJLVFJ-JTQLQIEISA-N 1 2 228.299 2.154 20 30 BEEDLO N#Cc1cccc(C(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000731156947 584923018 /nfs/dbraw/zinc/92/30/18/584923018.db2.gz PUYVFMGWGQFTPD-SNAWJCMRSA-N 1 2 223.235 2.177 20 30 BEEDLO C=CC[N@@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000731668469 584928179 /nfs/dbraw/zinc/92/81/79/584928179.db2.gz RCXLWQAIZABZMF-CQSZACIVSA-N 1 2 245.322 2.380 20 30 BEEDLO C=CC[N@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000731668469 584928180 /nfs/dbraw/zinc/92/81/80/584928180.db2.gz RCXLWQAIZABZMF-CQSZACIVSA-N 1 2 245.322 2.380 20 30 BEEDLO CC(=[NH+]Nc1cc(C)ncn1)c1ccc(N)cc1 ZINC000731935406 584931813 /nfs/dbraw/zinc/93/18/13/584931813.db2.gz XGTDTKBKCRLZQY-UHFFFAOYSA-N 1 2 241.298 2.203 20 30 BEEDLO CCOc1ccc(/C=[NH+]\CC2(C)COC2)c(O)c1 ZINC000732927103 584941897 /nfs/dbraw/zinc/94/18/97/584941897.db2.gz YGNYZBFQUXDABX-CHHVJCJISA-N 1 2 249.310 2.246 20 30 BEEDLO COc1cccc(/C=[NH+]/C[C@]2(C)CCOC2)c1O ZINC000733081345 584942970 /nfs/dbraw/zinc/94/29/70/584942970.db2.gz VXOVACBTCVYIIB-GFKDLEGOSA-N 1 2 249.310 2.246 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/C[C@]2(C)CCOC2)c1 ZINC000733080794 584942972 /nfs/dbraw/zinc/94/29/72/584942972.db2.gz BMQVGQKAHCTWNJ-GFKDLEGOSA-N 1 2 249.310 2.246 20 30 BEEDLO C=CCC(C)(C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819781898 585007650 /nfs/dbraw/zinc/00/76/50/585007650.db2.gz QOIKICMRDPPMEK-MRVPVSSYSA-N 1 2 226.345 2.196 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](CCC)CCC=C)C(=O)OC ZINC000839166772 585095498 /nfs/dbraw/zinc/09/54/98/585095498.db2.gz AXDQGEQPODLAAX-OLZOCXBDSA-N 1 2 237.343 2.276 20 30 BEEDLO C#CC[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@H]1C)C(=O)OC ZINC000839166812 585095514 /nfs/dbraw/zinc/09/55/14/585095514.db2.gz AQSWXOMSGRBABD-MCIONIFRSA-N 1 2 249.354 2.133 20 30 BEEDLO C#CC[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C(=O)OC ZINC000839167816 585095616 /nfs/dbraw/zinc/09/56/16/585095616.db2.gz GPYUVYBZUPYWKF-RYUDHWBXSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OC ZINC000839167812 585095644 /nfs/dbraw/zinc/09/56/44/585095644.db2.gz GPYUVYBZUPYWKF-NEPJUHHUSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@H]([NH2+]C1CCC(CC)CC1)C(=O)OC ZINC000839169115 585095764 /nfs/dbraw/zinc/09/57/64/585095764.db2.gz PBPUGGSRFXEEJD-BPCQOVAHSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@@H]([NH2+]C1CCCCCCC1)C(=O)OC ZINC000839168096 585095791 /nfs/dbraw/zinc/09/57/91/585095791.db2.gz ILRSQJBMQRXOPW-CYBMUJFWSA-N 1 2 237.343 2.254 20 30 BEEDLO C#CC[C@@H]([NH2+][C@@H](CC)CCCC)C(=O)OC ZINC000839168441 585095847 /nfs/dbraw/zinc/09/58/47/585095847.db2.gz KRKPJAMVILQPSA-NWDGAFQWSA-N 1 2 225.332 2.110 20 30 BEEDLO C#CC[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)C(=O)OC ZINC000839170082 585096237 /nfs/dbraw/zinc/09/62/37/585096237.db2.gz WCTKLWFYCNQDHX-NWDGAFQWSA-N 1 2 239.359 2.356 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](C)c1ccc(F)cc1 ZINC000839189856 585097147 /nfs/dbraw/zinc/09/71/47/585097147.db2.gz YKYXAPJZXAMRMJ-SWLSCSKDSA-N 1 2 247.313 2.263 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](C)c1ccc(F)cc1 ZINC000839189856 585097148 /nfs/dbraw/zinc/09/71/48/585097148.db2.gz YKYXAPJZXAMRMJ-SWLSCSKDSA-N 1 2 247.313 2.263 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](C)c1ccc(F)cc1 ZINC000839189854 585097222 /nfs/dbraw/zinc/09/72/22/585097222.db2.gz YKYXAPJZXAMRMJ-DOMZBBRYSA-N 1 2 247.313 2.263 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](C)c1ccc(F)cc1 ZINC000839189854 585097223 /nfs/dbraw/zinc/09/72/23/585097223.db2.gz YKYXAPJZXAMRMJ-DOMZBBRYSA-N 1 2 247.313 2.263 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CCCSCC(C)C ZINC000839199180 585099177 /nfs/dbraw/zinc/09/91/77/585099177.db2.gz BWCXCPXBJODNNA-CYBMUJFWSA-N 1 2 241.400 2.100 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CCCSCC(C)C ZINC000839199180 585099178 /nfs/dbraw/zinc/09/91/78/585099178.db2.gz BWCXCPXBJODNNA-CYBMUJFWSA-N 1 2 241.400 2.100 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(F)c(F)c1 ZINC000743853256 585141345 /nfs/dbraw/zinc/14/13/45/585141345.db2.gz ZQPWJVCFDMEWBI-UHFFFAOYSA-N 1 2 233.261 2.423 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(F)c(F)c1 ZINC000743853256 585141346 /nfs/dbraw/zinc/14/13/46/585141346.db2.gz ZQPWJVCFDMEWBI-UHFFFAOYSA-N 1 2 233.261 2.423 20 30 BEEDLO CC[NH+](CC)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000744385541 585149510 /nfs/dbraw/zinc/14/95/10/585149510.db2.gz QBJFHEOEUQOTCN-CYBMUJFWSA-N 1 2 246.310 2.114 20 30 BEEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(O)cc1 ZINC000747524833 585180350 /nfs/dbraw/zinc/18/03/50/585180350.db2.gz SVMIIGBSQFJUQO-UHFFFAOYSA-N 1 2 246.310 2.005 20 30 BEEDLO COC[C@@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000748097195 585186933 /nfs/dbraw/zinc/18/69/33/585186933.db2.gz FXDUZGZULSGLLT-MRVPVSSYSA-N 1 2 242.706 2.012 20 30 BEEDLO CCC(CC)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753932987 585272249 /nfs/dbraw/zinc/27/22/49/585272249.db2.gz AEYCSRMWGWCPSD-QWRGUYRKSA-N 1 2 222.336 2.022 20 30 BEEDLO C1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000753935378 585272502 /nfs/dbraw/zinc/27/25/02/585272502.db2.gz OANGLRANPVFFPJ-VXGBXAGGSA-N 1 2 234.347 2.167 20 30 BEEDLO C#CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000753987094 585274096 /nfs/dbraw/zinc/27/40/96/585274096.db2.gz SDASZMMNPLXZKN-UHFFFAOYSA-N 1 2 245.669 2.097 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C[C@@H](O)c1ccccc1)C1CC1 ZINC000754375330 585283578 /nfs/dbraw/zinc/28/35/78/585283578.db2.gz YBOJXZGPRMLUKM-SWLSCSKDSA-N 1 2 244.338 2.344 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C[C@@H](O)c1ccccc1)C1CC1 ZINC000754375330 585283579 /nfs/dbraw/zinc/28/35/79/585283579.db2.gz YBOJXZGPRMLUKM-SWLSCSKDSA-N 1 2 244.338 2.344 20 30 BEEDLO CCCCCCCCNC(=O)Cn1cc[nH+]c1 ZINC000755216327 585296341 /nfs/dbraw/zinc/29/63/41/585296341.db2.gz PYSVRGAJRFDSQU-UHFFFAOYSA-N 1 2 237.347 2.360 20 30 BEEDLO Cn1c[nH+]cc1C=NNCc1ccccc1Cl ZINC000755662262 585303726 /nfs/dbraw/zinc/30/37/26/585303726.db2.gz ZHUCLQQLOHRQAT-UHFFFAOYSA-N 1 2 248.717 2.197 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNCCCc1ccccc1 ZINC000755695774 585304359 /nfs/dbraw/zinc/30/43/59/585304359.db2.gz DNTCVEKNCQEKIL-UHFFFAOYSA-N 1 2 242.326 2.274 20 30 BEEDLO CC(=[NH+]Nc1cc(C)ccn1)c1csc(N)n1 ZINC000755907423 585310158 /nfs/dbraw/zinc/31/01/58/585310158.db2.gz ZFPJDLCZOPSYGS-UHFFFAOYSA-N 1 2 247.327 2.265 20 30 BEEDLO C=C(C)[C@H](C)OC(=O)Cc1cn2ccccc2[nH+]1 ZINC000755987528 585311826 /nfs/dbraw/zinc/31/18/26/585311826.db2.gz AHQBPQDAVZJJEJ-NSHDSACASA-N 1 2 244.294 2.385 20 30 BEEDLO Cc1ccc(C[NH2+][C@H](C)CC#N)cc1[N+](=O)[O-] ZINC000757910546 585346771 /nfs/dbraw/zinc/34/67/71/585346771.db2.gz WEIHKVRTINGJHS-SNVBAGLBSA-N 1 2 233.271 2.295 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000759373616 585371760 /nfs/dbraw/zinc/37/17/60/585371760.db2.gz ADLYWDBTEGOPSB-GXFFZTMASA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000759373616 585371761 /nfs/dbraw/zinc/37/17/61/585371761.db2.gz ADLYWDBTEGOPSB-GXFFZTMASA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@H](C[C@@H]1CCOC1)/[NH+]=C/c1cccc(O)c1O ZINC000759645093 585377852 /nfs/dbraw/zinc/37/78/52/585377852.db2.gz XQUWAIINGRJZTE-OUFKSKKLSA-N 1 2 249.310 2.332 20 30 BEEDLO C#CCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000760351522 585391104 /nfs/dbraw/zinc/39/11/04/585391104.db2.gz AVXIJFUGJQBBBY-UHFFFAOYSA-N 1 2 236.702 2.404 20 30 BEEDLO CCCn1cccc1C=NNc1[nH+]ccn1C ZINC000790302178 585403846 /nfs/dbraw/zinc/40/38/46/585403846.db2.gz OELAXRDSTRZDLQ-UHFFFAOYSA-N 1 2 231.303 2.078 20 30 BEEDLO N#CCC[C@@H](C#N)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000761114720 585410698 /nfs/dbraw/zinc/41/06/98/585410698.db2.gz NZEVNHRTKRMUQK-JTQLQIEISA-N 1 2 239.269 2.161 20 30 BEEDLO CC[C@H](C)CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761857700 585420714 /nfs/dbraw/zinc/42/07/14/585420714.db2.gz MLKFZSQSQWIGLP-JTQLQIEISA-N 1 2 244.302 2.106 20 30 BEEDLO CC(=[NH+]Nc1cnn(C)c1)c1ccc(N)cc1C ZINC000761865826 585421060 /nfs/dbraw/zinc/42/10/60/585421060.db2.gz DRNWSYDKFPHDMI-UHFFFAOYSA-N 1 2 243.314 2.147 20 30 BEEDLO CC#CCCO[NH+]=C(N)c1ccccc1C ZINC000764933840 585477521 /nfs/dbraw/zinc/47/75/21/585477521.db2.gz AMYZYVLVSLNYAH-UHFFFAOYSA-N 1 2 216.284 2.255 20 30 BEEDLO C#CCCCN1CC[NH+](Cc2cccs2)CC1 ZINC000766896247 585508821 /nfs/dbraw/zinc/50/88/21/585508821.db2.gz YOWAAKSSJJAZRD-UHFFFAOYSA-N 1 2 248.395 2.279 20 30 BEEDLO C#CCCCOC(=O)c1ccc(C)[nH+]c1NC ZINC000766880124 585508983 /nfs/dbraw/zinc/50/89/83/585508983.db2.gz DVGXNKUFXCJVEV-UHFFFAOYSA-N 1 2 232.283 2.002 20 30 BEEDLO C=C(CC)CO[NH+]=C(N)COC(C)(C)C ZINC000768933741 585546483 /nfs/dbraw/zinc/54/64/83/585546483.db2.gz VYBQXAGPRDYWMR-UHFFFAOYSA-N 1 2 214.309 2.266 20 30 BEEDLO N#CC1CC[NH+](Cc2n[nH]c3ccccc32)CC1 ZINC000769192098 585551011 /nfs/dbraw/zinc/55/10/11/585551011.db2.gz CUDUREDSPLIZQM-UHFFFAOYSA-N 1 2 240.310 2.298 20 30 BEEDLO C=C(CC)CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000773186834 585633510 /nfs/dbraw/zinc/63/35/10/585633510.db2.gz WWLNNEVAWBNBLH-UHFFFAOYSA-N 1 2 234.299 2.298 20 30 BEEDLO Cc1ccc(CCCN=Nc2ncccn2)c[nH+]1 ZINC000774362521 585656955 /nfs/dbraw/zinc/65/69/55/585656955.db2.gz LCIIXUQNDFEOGN-UHFFFAOYSA-N 1 2 241.298 2.211 20 30 BEEDLO NC(=[NH+]OCc1cccnc1)c1ccc(F)cc1 ZINC000774800372 585666304 /nfs/dbraw/zinc/66/63/04/585666304.db2.gz YNPMWMIOXATOLR-UHFFFAOYSA-N 1 2 245.257 2.058 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1coc(C2CC2)n1 ZINC000775180489 585672963 /nfs/dbraw/zinc/67/29/63/585672963.db2.gz YDMZGUWWZJOCQD-VIFPVBQESA-N 1 2 204.273 2.006 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000775180489 585672964 /nfs/dbraw/zinc/67/29/64/585672964.db2.gz YDMZGUWWZJOCQD-VIFPVBQESA-N 1 2 204.273 2.006 20 30 BEEDLO Cc1nonc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000775335619 585675828 /nfs/dbraw/zinc/67/58/28/585675828.db2.gz NHDXGOLJCXQTQF-VIFPVBQESA-N 1 2 242.282 2.101 20 30 BEEDLO CCCC(CC)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000776187342 585691975 /nfs/dbraw/zinc/69/19/75/585691975.db2.gz DTCDJCQORXDJAB-VXGBXAGGSA-N 1 2 236.363 2.413 20 30 BEEDLO C=CC[N@@H+](C)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000777541686 585714524 /nfs/dbraw/zinc/71/45/24/585714524.db2.gz QPSZCTGPPHUASS-OCCSQVGLSA-N 1 2 244.338 2.281 20 30 BEEDLO C=CC[N@H+](C)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000777541686 585714525 /nfs/dbraw/zinc/71/45/25/585714525.db2.gz QPSZCTGPPHUASS-OCCSQVGLSA-N 1 2 244.338 2.281 20 30 BEEDLO CCn1cc[nH+]c1CN=Nc1cc(Cl)ccn1 ZINC000777905874 585723509 /nfs/dbraw/zinc/72/35/09/585723509.db2.gz ODFFFSABPAEABB-UHFFFAOYSA-N 1 2 249.705 2.397 20 30 BEEDLO CCC#C[C@@H](C)[N@H+](C)Cc1ncc(Cl)n1C ZINC000778986100 585743442 /nfs/dbraw/zinc/74/34/42/585743442.db2.gz HVPLEZKEVUZMKZ-SNVBAGLBSA-N 1 2 239.750 2.307 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000778986100 585743443 /nfs/dbraw/zinc/74/34/43/585743443.db2.gz HVPLEZKEVUZMKZ-SNVBAGLBSA-N 1 2 239.750 2.307 20 30 BEEDLO C=CCN(C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000779442492 585755087 /nfs/dbraw/zinc/75/50/87/585755087.db2.gz AEEZNXDJXGTXAA-UHFFFAOYSA-N 1 2 248.330 2.106 20 30 BEEDLO C=CC[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000780318816 585777908 /nfs/dbraw/zinc/77/79/08/585777908.db2.gz OZOOSYVTZBQIEE-GXTWGEPZSA-N 1 2 247.338 2.325 20 30 BEEDLO CC[C@H](C#N)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000781204901 585793204 /nfs/dbraw/zinc/79/32/04/585793204.db2.gz FJKJUAWAXRDCGD-CHWSQXEVSA-N 1 2 246.310 2.135 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781354102 585794950 /nfs/dbraw/zinc/79/49/50/585794950.db2.gz NZGFUGFPOHVLSC-QMMMGPOBSA-N 1 2 225.666 2.443 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781354102 585794951 /nfs/dbraw/zinc/79/49/51/585794951.db2.gz NZGFUGFPOHVLSC-QMMMGPOBSA-N 1 2 225.666 2.443 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)OCC(C)C ZINC000785996601 585885167 /nfs/dbraw/zinc/88/51/67/585885167.db2.gz FQHQDNBHAXHHBV-LBPRGKRZSA-N 1 2 225.332 2.226 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)OCC(C)C ZINC000785996601 585885168 /nfs/dbraw/zinc/88/51/68/585885168.db2.gz FQHQDNBHAXHHBV-LBPRGKRZSA-N 1 2 225.332 2.226 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc2ccccc2[nH]1 ZINC000789731079 585949149 /nfs/dbraw/zinc/94/91/49/585949149.db2.gz AZULNPIFDKPDFG-UHFFFAOYSA-N 1 2 222.291 2.236 20 30 BEEDLO CC(N=Nc1ccccc1F)c1[nH]cc[nH+]1 ZINC000790153028 585958861 /nfs/dbraw/zinc/95/88/61/585958861.db2.gz BDGDZYQDALORLJ-UHFFFAOYSA-N 1 2 218.235 2.385 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1ccc(C#N)cc1 ZINC000790303319 585963086 /nfs/dbraw/zinc/96/30/86/585963086.db2.gz SAGMXMOYIIMTTP-UHFFFAOYSA-N 1 2 239.282 2.128 20 30 BEEDLO Cc1ccc2c(c1)C(=NNc1[nH+]ccn1C)CC2 ZINC000790303707 585963471 /nfs/dbraw/zinc/96/34/71/585963471.db2.gz XNQHZTNJZFUUNN-UHFFFAOYSA-N 1 2 240.310 2.491 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000790429844 585964702 /nfs/dbraw/zinc/96/47/02/585964702.db2.gz GHRWMRKGODINFO-SNVBAGLBSA-N 1 2 217.740 2.486 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000790429844 585964703 /nfs/dbraw/zinc/96/47/03/585964703.db2.gz GHRWMRKGODINFO-SNVBAGLBSA-N 1 2 217.740 2.486 20 30 BEEDLO Oc1ccccc1/C=[NH+]/CCC1(O)CCC1 ZINC000790576415 585966614 /nfs/dbraw/zinc/96/66/14/585966614.db2.gz ZKCMTVWRKGFZKX-GXDHUFHOSA-N 1 2 219.284 2.116 20 30 BEEDLO CCCNN=C(C)C[NH+]1Cc2ccccc2C1 ZINC000792629000 586003343 /nfs/dbraw/zinc/00/33/43/586003343.db2.gz CVKYASVQDITUCW-UHFFFAOYSA-N 1 2 231.343 2.378 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNCC1(C)CCCC1 ZINC000793084974 586010121 /nfs/dbraw/zinc/01/01/21/586010121.db2.gz RYJSKLLKEPJERU-UHFFFAOYSA-N 1 2 220.320 2.222 20 30 BEEDLO C=CCC1(C(=O)OCCc2c[nH+]cn2C)CCC1 ZINC000793249205 586015018 /nfs/dbraw/zinc/01/50/18/586015018.db2.gz DWPGCOURWIGWOK-UHFFFAOYSA-N 1 2 248.326 2.252 20 30 BEEDLO C=CC[N@H+](Cc1nnc(C(C)C)[nH]1)C(C)C ZINC000794274013 586036680 /nfs/dbraw/zinc/03/66/80/586036680.db2.gz CNEWQNRGSXJVQN-UHFFFAOYSA-N 1 2 222.336 2.325 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(C(C)C)[nH]1)C(C)C ZINC000794274013 586036681 /nfs/dbraw/zinc/03/66/81/586036681.db2.gz CNEWQNRGSXJVQN-UHFFFAOYSA-N 1 2 222.336 2.325 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1noc2c1CCCC2 ZINC000794579270 586045140 /nfs/dbraw/zinc/04/51/40/586045140.db2.gz YKTHODYDEKWVMQ-UHFFFAOYSA-N 1 2 232.327 2.397 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1noc2c1CCCC2 ZINC000794579270 586045141 /nfs/dbraw/zinc/04/51/41/586045141.db2.gz YKTHODYDEKWVMQ-UHFFFAOYSA-N 1 2 232.327 2.397 20 30 BEEDLO O=C1c2ccc(F)cc2OC/C1=C\c1[nH]cc[nH+]1 ZINC000794727580 586047516 /nfs/dbraw/zinc/04/75/16/586047516.db2.gz ICXPRRISIVPUFA-VMPITWQZSA-N 1 2 244.225 2.208 20 30 BEEDLO C=CCC(C)(C)C(=O)OCCc1c[nH+]cn1C ZINC000797120141 586120679 /nfs/dbraw/zinc/12/06/79/586120679.db2.gz YWYJZFRNTYWBGH-UHFFFAOYSA-N 1 2 236.315 2.108 20 30 BEEDLO C#C[C@H]([NH2+][C@@H](CC(C)C)C(=O)OCC)C(C)C ZINC000798398462 586143458 /nfs/dbraw/zinc/14/34/58/586143458.db2.gz QEPGKTKYLGWCFE-STQMWFEESA-N 1 2 239.359 2.212 20 30 BEEDLO COc1ccccc1CON=Cc1[nH+]c[nH]c1C ZINC000799117118 586158219 /nfs/dbraw/zinc/15/82/19/586158219.db2.gz IQBQUNKXQUHCQG-UHFFFAOYSA-N 1 2 245.282 2.277 20 30 BEEDLO O=C1C=C(N[NH2+]C2CCCCC2)[C@@H]2CCCCN12 ZINC000799486176 586180000 /nfs/dbraw/zinc/18/00/00/586180000.db2.gz TWPSIOVFOKSISV-ZDUSSCGKSA-N 1 2 249.358 2.050 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([NH2+]c2ccc(OCCO)cc2)C1 ZINC000799724271 586194879 /nfs/dbraw/zinc/19/48/79/586194879.db2.gz JQXFAMDHHZOEQC-DGCLKSJQSA-N 1 2 246.310 2.162 20 30 BEEDLO CC(=NNCc1ccccc1)c1cn(C)c(C)[nH+]1 ZINC000800807705 586231098 /nfs/dbraw/zinc/23/10/98/586231098.db2.gz CEVNNUCKYLCMSS-UHFFFAOYSA-N 1 2 242.326 2.242 20 30 BEEDLO C[C@@H](C#N)OCCSc1[nH+]cc2ccccn21 ZINC000801654205 586268096 /nfs/dbraw/zinc/26/80/96/586268096.db2.gz NFXZWWMMOQWMJF-JTQLQIEISA-N 1 2 247.323 2.355 20 30 BEEDLO C=CCCCC(=O)OCCCc1[nH+]ccn1C ZINC000802788713 586313483 /nfs/dbraw/zinc/31/34/83/586313483.db2.gz OIFYRLVXHNRXDH-UHFFFAOYSA-N 1 2 236.315 2.252 20 30 BEEDLO C=CCC[C@@H]([NH2+]Cc1cnn(C)n1)c1ccco1 ZINC000806165144 586407082 /nfs/dbraw/zinc/40/70/82/586407082.db2.gz DBNNBNSJKXFGGZ-GFCCVEGCSA-N 1 2 246.314 2.205 20 30 BEEDLO C#CCCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000806537155 586413703 /nfs/dbraw/zinc/41/37/03/586413703.db2.gz RTPAKCZHWLHARX-UHFFFAOYSA-N 1 2 231.299 2.233 20 30 BEEDLO C=CC[N@@H+](C)CN1CCN(c2ccccc2)C1=O ZINC000808179852 586467155 /nfs/dbraw/zinc/46/71/55/586467155.db2.gz DLJORZSUTXXSOK-UHFFFAOYSA-N 1 2 245.326 2.004 20 30 BEEDLO C=CC[N@H+](C)CN1CCN(c2ccccc2)C1=O ZINC000808179852 586467156 /nfs/dbraw/zinc/46/71/56/586467156.db2.gz DLJORZSUTXXSOK-UHFFFAOYSA-N 1 2 245.326 2.004 20 30 BEEDLO C#Cc1ccc(C[N@H+](C)Cc2ccon2)cc1 ZINC000809580416 586508561 /nfs/dbraw/zinc/50/85/61/586508561.db2.gz NYFPZHGKZXFOQJ-UHFFFAOYSA-N 1 2 226.279 2.288 20 30 BEEDLO C#Cc1ccc(C[N@@H+](C)Cc2ccon2)cc1 ZINC000809580416 586508562 /nfs/dbraw/zinc/50/85/62/586508562.db2.gz NYFPZHGKZXFOQJ-UHFFFAOYSA-N 1 2 226.279 2.288 20 30 BEEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccon1)CC2 ZINC000810220605 586537102 /nfs/dbraw/zinc/53/71/02/586537102.db2.gz ASSCSRLFNZJHNK-AWEZNQCLSA-N 1 2 239.278 2.323 20 30 BEEDLO C#CCO[NH+]=C(C)c1ccc(F)cc1N(C)C ZINC000812233861 586571295 /nfs/dbraw/zinc/57/12/95/586571295.db2.gz YTGUTVYFJDJXBR-UHFFFAOYSA-N 1 2 234.274 2.266 20 30 BEEDLO Oc1cccc(/C=[NH+]\CCCCF)c1O ZINC000812444356 586577436 /nfs/dbraw/zinc/57/74/36/586577436.db2.gz DSFXUMZUWAMXEM-JYRVWZFOSA-N 1 2 211.236 2.266 20 30 BEEDLO CC(=[NH+]OCCC(F)(F)F)c1ccc(N)nc1 ZINC000814908980 586648361 /nfs/dbraw/zinc/64/83/61/586648361.db2.gz DODXMAQIAKFUSS-UHFFFAOYSA-N 1 2 247.220 2.357 20 30 BEEDLO CC(=[NH+]Nc1cncnc1)c1cc(N)ccc1F ZINC000814927143 586652316 /nfs/dbraw/zinc/65/23/16/586652316.db2.gz YKPBUOKTBSRGOS-UHFFFAOYSA-N 1 2 245.261 2.034 20 30 BEEDLO CC(N=Nc1ncccc1F)c1ccc(N)[nH+]c1 ZINC000814927647 586652442 /nfs/dbraw/zinc/65/24/42/586652442.db2.gz YTHOUOOOUDHHSW-UHFFFAOYSA-N 1 2 245.261 2.034 20 30 BEEDLO CC(=[NH+]OC1CCC1)c1cc([N+](=O)[O-])ccc1N ZINC000814936272 586654675 /nfs/dbraw/zinc/65/46/75/586654675.db2.gz HULUOHLJYRDKHZ-UHFFFAOYSA-N 1 2 249.270 2.470 20 30 BEEDLO CCON=C1CCc2ccc[nH+]c2CC1 ZINC000817322970 586794204 /nfs/dbraw/zinc/79/42/04/586794204.db2.gz PPHIUMKIDZCYPN-UHFFFAOYSA-N 1 2 204.273 2.353 20 30 BEEDLO FC(F)(F)C=CNNc1[nH+]cncc1Cl ZINC000817327408 586794618 /nfs/dbraw/zinc/79/46/18/586794618.db2.gz IRPZKNAIIVTNPZ-UHFFFAOYSA-N 1 2 238.600 2.480 20 30 BEEDLO C=C[C@H](CC)CC(=O)NCc1c[nH+]ccc1OC ZINC000820415187 587047105 /nfs/dbraw/zinc/04/71/05/587047105.db2.gz KQCWIYJJLHOKGQ-LLVKDONJSA-N 1 2 248.326 2.309 20 30 BEEDLO CC(C)(C)SCC[NH+]1CC(C)(C#N)C1 ZINC000821263317 587104081 /nfs/dbraw/zinc/10/40/81/587104081.db2.gz YDEBSSDSTZQQOB-UHFFFAOYSA-N 1 2 212.362 2.364 20 30 BEEDLO CC[N@@H+](CC#N)CC[C@@H]1CC1(Cl)Cl ZINC000822597996 587176921 /nfs/dbraw/zinc/17/69/21/587176921.db2.gz LEFPEDUWSHYIIX-MRVPVSSYSA-N 1 2 221.131 2.416 20 30 BEEDLO CC[N@H+](CC#N)CC[C@@H]1CC1(Cl)Cl ZINC000822597996 587176923 /nfs/dbraw/zinc/17/69/23/587176923.db2.gz LEFPEDUWSHYIIX-MRVPVSSYSA-N 1 2 221.131 2.416 20 30 BEEDLO C=C[C@@H](CC)CC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000823307971 587215348 /nfs/dbraw/zinc/21/53/48/587215348.db2.gz YVGJAGMRPQISDS-BDAKNGLRSA-N 1 2 226.345 2.196 20 30 BEEDLO CCCn1nccc1C[NH+]1CCC(C#N)CC1 ZINC000824645453 587280594 /nfs/dbraw/zinc/28/05/94/587280594.db2.gz IYQWDFLDIYTJEH-UHFFFAOYSA-N 1 2 232.331 2.029 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cc(COC)cs1 ZINC000824828725 587289130 /nfs/dbraw/zinc/28/91/30/587289130.db2.gz DRCOLDUMTJSXCM-UHFFFAOYSA-N 1 2 247.363 2.353 20 30 BEEDLO C=CCCC(C)(C)NC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000826655268 587358123 /nfs/dbraw/zinc/35/81/23/587358123.db2.gz KGTRZOANQJYKJO-FPLPWBNLSA-N 1 2 247.342 2.294 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1nccs1 ZINC000828815903 587464058 /nfs/dbraw/zinc/46/40/58/587464058.db2.gz IEODGIJOZYYMRY-SECBINFHSA-N 1 2 221.329 2.488 20 30 BEEDLO C#CC[C@H]1CCC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000829779661 587515569 /nfs/dbraw/zinc/51/55/69/587515569.db2.gz YLOKKHGIDNZLNY-LBPRGKRZSA-N 1 2 247.342 2.428 20 30 BEEDLO C#CC[C@H]1CCC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000829779661 587515571 /nfs/dbraw/zinc/51/55/71/587515571.db2.gz YLOKKHGIDNZLNY-LBPRGKRZSA-N 1 2 247.342 2.428 20 30 BEEDLO Cc1ccc(NC(=O)C#CC(C)C)c(C)[nH+]1 ZINC000829948330 587529637 /nfs/dbraw/zinc/52/96/37/587529637.db2.gz OQULNWGBDCSCPQ-UHFFFAOYSA-N 1 2 216.284 2.296 20 30 BEEDLO C=CC(C)(C)CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000832722293 587679603 /nfs/dbraw/zinc/67/96/03/587679603.db2.gz VSSYTPBZNTVVSH-UHFFFAOYSA-N 1 2 235.331 2.440 20 30 BEEDLO C=C(C)CC[NH2+]c1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000834664909 587763370 /nfs/dbraw/zinc/76/33/70/587763370.db2.gz XWDKWVMMCZGXPN-AWEZNQCLSA-N 1 2 246.310 2.290 20 30 BEEDLO C=CC(C)(C)C(=O)OCCCc1[nH+]ccn1C ZINC000835329515 587796738 /nfs/dbraw/zinc/79/67/38/587796738.db2.gz DKZMEBSZHOYNOK-UHFFFAOYSA-N 1 2 236.315 2.108 20 30 BEEDLO C#CCCCCC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836953842 587843714 /nfs/dbraw/zinc/84/37/14/587843714.db2.gz IDEJWDGUSHOPFF-VXGBXAGGSA-N 1 2 245.326 2.199 20 30 BEEDLO C[C@@H]1C[C@H](NC(=O)C#CC(C)(C)C)c2[nH+]ccn21 ZINC000837689592 587890652 /nfs/dbraw/zinc/89/06/52/587890652.db2.gz WAXXTJHYQZXHDH-MNOVXSKESA-N 1 2 245.326 2.055 20 30 BEEDLO C[C@@H]1C[C@H](C/[NH+]=C/c2cccc(O)c2O)[C@@H](C)O1 ZINC000840713265 587917510 /nfs/dbraw/zinc/91/75/10/587917510.db2.gz RDWCEKLBXLDFTO-CTPAVUBMSA-N 1 2 249.310 2.330 20 30 BEEDLO CC[C@@H]1C[C@H]1C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000840710217 587917672 /nfs/dbraw/zinc/91/76/72/587917672.db2.gz QSVIATNAUTXHEM-SFVJQMODSA-N 1 2 235.283 2.268 20 30 BEEDLO Oc1ccccc1/C=[NH+]\[C@@H]1CC12CCOCC2 ZINC000840709890 587917873 /nfs/dbraw/zinc/91/78/73/587917873.db2.gz OMMVEJOMYNFLIC-NWFCWYBLSA-N 1 2 231.295 2.380 20 30 BEEDLO CCC(CC)NN=Cc1c[nH+]cn1CC ZINC000841625796 587960969 /nfs/dbraw/zinc/96/09/69/587960969.db2.gz KMYZBBPQUPPDTE-UHFFFAOYSA-N 1 2 208.309 2.015 20 30 BEEDLO CC[C@H]1CCCC[C@@H]1C=[NH+]n1ccnn1 ZINC000842535638 588035888 /nfs/dbraw/zinc/03/58/88/588035888.db2.gz HSOHKUPTWWMNAK-WDEREUQCSA-N 1 2 206.293 2.328 20 30 BEEDLO CCCON=C1CCN(c2cccc[nH+]2)CC1 ZINC000842565696 588042589 /nfs/dbraw/zinc/04/25/89/588042589.db2.gz LIJSRCAYWVKKQL-UHFFFAOYSA-N 1 2 233.315 2.464 20 30 BEEDLO COc1ccc(C(N)=[NH+]OCC2=CCCC2)cc1 ZINC000842648952 588049133 /nfs/dbraw/zinc/04/91/33/588049133.db2.gz OROHHPNKAVBBLM-UHFFFAOYSA-N 1 2 246.310 2.442 20 30 BEEDLO Cc1ccccc1-n1cc(C[NH2+]CCC#N)cn1 ZINC000843407064 588106804 /nfs/dbraw/zinc/10/68/04/588106804.db2.gz VYENUWIPOIKJJQ-UHFFFAOYSA-N 1 2 240.310 2.184 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](CC)OC[C@H]1C ZINC000844389496 588188942 /nfs/dbraw/zinc/18/89/42/588188942.db2.gz KKBQFLPXKFTJKJ-ZJUUUORDSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](CC)OC[C@H]1C ZINC000844389496 588188943 /nfs/dbraw/zinc/18/89/43/588188943.db2.gz KKBQFLPXKFTJKJ-ZJUUUORDSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C[C@H](C)O[NH+]=C(C)c1cc([N+](=O)[O-])ccc1N ZINC000844619603 588209223 /nfs/dbraw/zinc/20/92/23/588209223.db2.gz BOKZYXRCKUFNQF-QMMMGPOBSA-N 1 2 249.270 2.492 20 30 BEEDLO C[C@@H](CC(=O)OCCC(C)(C)C#N)n1cc[nH+]c1 ZINC000845283497 588225658 /nfs/dbraw/zinc/22/56/58/588225658.db2.gz DLIVKPWTGPLIFA-NSHDSACASA-N 1 2 249.314 2.317 20 30 BEEDLO C=C(C)CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845287020 588225812 /nfs/dbraw/zinc/22/58/12/588225812.db2.gz ZDQBUPOSEDHNGQ-NSHDSACASA-N 1 2 222.288 2.344 20 30 BEEDLO C#CC[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC000845483815 588230319 /nfs/dbraw/zinc/23/03/19/588230319.db2.gz OJDMBLRMRVAKIX-YPMHNXCESA-N 1 2 246.310 2.179 20 30 BEEDLO C[C@@H](CC(=O)O[C@@H](C)C(C)(C)C#N)n1cc[nH+]c1 ZINC000845496960 588230864 /nfs/dbraw/zinc/23/08/64/588230864.db2.gz QPVRRYCXPCCQSF-QWRGUYRKSA-N 1 2 249.314 2.316 20 30 BEEDLO C[C@H](CC(=O)O[C@@H](C)C(C)(C)C#N)n1cc[nH+]c1 ZINC000845496959 588231017 /nfs/dbraw/zinc/23/10/17/588231017.db2.gz QPVRRYCXPCCQSF-MNOVXSKESA-N 1 2 249.314 2.316 20 30 BEEDLO C#CCC[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845598538 588234938 /nfs/dbraw/zinc/23/49/38/588234938.db2.gz PDEFIWNVCZZIQO-NWDGAFQWSA-N 1 2 234.299 2.179 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000847022250 588303367 /nfs/dbraw/zinc/30/33/67/588303367.db2.gz GMHYQKLILOHKSW-JTQLQIEISA-N 1 2 239.269 2.123 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000847022250 588303368 /nfs/dbraw/zinc/30/33/68/588303368.db2.gz GMHYQKLILOHKSW-JTQLQIEISA-N 1 2 239.269 2.123 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC000847022440 588303408 /nfs/dbraw/zinc/30/34/08/588303408.db2.gz HRMVNQPFHAPKMJ-NSHDSACASA-N 1 2 233.315 2.038 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC000847022440 588303409 /nfs/dbraw/zinc/30/34/09/588303409.db2.gz HRMVNQPFHAPKMJ-NSHDSACASA-N 1 2 233.315 2.038 20 30 BEEDLO CC[C@@H]1CCC1=NNCCCn1cc[nH+]c1 ZINC000848417352 588381441 /nfs/dbraw/zinc/38/14/41/588381441.db2.gz WNYSMDGUYNXKLS-LLVKDONJSA-N 1 2 220.320 2.039 20 30 BEEDLO CC(=NNCCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000848416453 588381833 /nfs/dbraw/zinc/38/18/33/588381833.db2.gz LRHDMRKBDGCYJF-LBPRGKRZSA-N 1 2 234.347 2.285 20 30 BEEDLO CC(=NNCCCn1cc[nH+]c1)c1occc1C ZINC000848417564 588382355 /nfs/dbraw/zinc/38/23/55/588382355.db2.gz BIWPRVAQDQADGZ-UHFFFAOYSA-N 1 2 246.314 2.188 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2cccc(F)n2)CC1 ZINC000851911866 588642698 /nfs/dbraw/zinc/64/26/98/588642698.db2.gz GGQMDFAOOIGBEO-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000852096629 588662062 /nfs/dbraw/zinc/66/20/62/588662062.db2.gz DAIMZKUNYMMZBM-CYBMUJFWSA-N 1 2 235.331 2.259 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(CC(C)C)no1 ZINC000852097891 588662361 /nfs/dbraw/zinc/66/23/61/588662361.db2.gz ZVCIVZWDTTUGLT-CYBMUJFWSA-N 1 2 235.331 2.160 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1noc(CCCC)n1 ZINC000852099857 588662916 /nfs/dbraw/zinc/66/29/16/588662916.db2.gz QOKUXWQMGIPBGX-ZDUSSCGKSA-N 1 2 235.331 2.304 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC000852685502 588695781 /nfs/dbraw/zinc/69/57/81/588695781.db2.gz XBZLDPNIYCCFPR-KBPBESRZSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC000852685502 588695782 /nfs/dbraw/zinc/69/57/82/588695782.db2.gz XBZLDPNIYCCFPR-KBPBESRZSA-N 1 2 248.301 2.095 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000852712475 588696997 /nfs/dbraw/zinc/69/69/97/588696997.db2.gz PVJRSXJOPNWSAU-LLVKDONJSA-N 1 2 247.672 2.340 20 30 BEEDLO CN(C)c1cc(F)c(C[NH2+]CCC#N)cc1F ZINC000862349518 589201635 /nfs/dbraw/zinc/20/16/35/589201635.db2.gz GBTUCGSQSCYJFA-UHFFFAOYSA-N 1 2 239.269 2.034 20 30 BEEDLO CCn1c[nH+]cc1CN=Nc1cccc(C)n1 ZINC000863160667 589264875 /nfs/dbraw/zinc/26/48/75/589264875.db2.gz OCFSMRLCVOOIOK-UHFFFAOYSA-N 1 2 229.287 2.052 20 30 BEEDLO C=C(C)CO[NH+]=C(N)C1(OC)CCCC1 ZINC000863478796 589292018 /nfs/dbraw/zinc/29/20/18/589292018.db2.gz WOXHLUAKDQKUFK-UHFFFAOYSA-N 1 2 212.293 2.020 20 30 BEEDLO N#Cc1cc(O)ccc1-c1c[nH+]c2n1CCCC2 ZINC000863975715 589331413 /nfs/dbraw/zinc/33/14/13/589331413.db2.gz XUPMFVRVKXRBRC-UHFFFAOYSA-N 1 2 239.278 2.464 20 30 BEEDLO Cc1ncc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)o1 ZINC000864054210 589336090 /nfs/dbraw/zinc/33/60/90/589336090.db2.gz UINVZJPOHCFOGU-ZYHUDNBSSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1ncc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)o1 ZINC000864054210 589336092 /nfs/dbraw/zinc/33/60/92/589336092.db2.gz UINVZJPOHCFOGU-ZYHUDNBSSA-N 1 2 219.288 2.107 20 30 BEEDLO CCOc1ccc(/C=[NH+]/[C@H]2C[C@H](OC)C2)c(O)c1 ZINC000864345811 589353867 /nfs/dbraw/zinc/35/38/67/589353867.db2.gz GQHLVHAWULMTSG-WQWPUVMKSA-N 1 2 249.310 2.387 20 30 BEEDLO CCNN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000864898690 589400112 /nfs/dbraw/zinc/40/01/12/589400112.db2.gz JROLLOAWUQKOLM-UHFFFAOYSA-N 1 2 228.299 2.206 20 30 BEEDLO Cc1cc(C(=O)/C=C\c2cn(C3CC3)c[nH+]2)no1 ZINC000865224237 589414740 /nfs/dbraw/zinc/41/47/40/589414740.db2.gz PUEZXSHWIZKAJH-DJWKRKHSSA-N 1 2 243.266 2.411 20 30 BEEDLO C#CCCNc1cc(CC(C)C)[nH+]cn1 ZINC000865539295 589444996 /nfs/dbraw/zinc/44/49/96/589444996.db2.gz SUSZWXAQCCJCFJ-UHFFFAOYSA-N 1 2 203.289 2.110 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(NCCC)[nH+]cn1 ZINC000865852633 589465125 /nfs/dbraw/zinc/46/51/25/589465125.db2.gz UOKPBWRVVPMIHV-MNOVXSKESA-N 1 2 248.330 2.054 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(NCCC)nc[nH+]1 ZINC000865852633 589465126 /nfs/dbraw/zinc/46/51/26/589465126.db2.gz UOKPBWRVVPMIHV-MNOVXSKESA-N 1 2 248.330 2.054 20 30 BEEDLO C[C@@H](O)c1ccc(N2CCC[C@@H](CC#N)C2)[nH+]c1 ZINC000865932531 589469200 /nfs/dbraw/zinc/46/92/00/589469200.db2.gz WDAKZSVNFKCTRL-NEPJUHHUSA-N 1 2 245.326 2.265 20 30 BEEDLO CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866266101 589483724 /nfs/dbraw/zinc/48/37/24/589483724.db2.gz WUMMAZQKTVKHHM-CMPLNLGQSA-N 1 2 248.326 2.075 20 30 BEEDLO C#CCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866274929 589483801 /nfs/dbraw/zinc/48/38/01/589483801.db2.gz VSSPJTNWJIVBLI-LLVKDONJSA-N 1 2 228.295 2.328 20 30 BEEDLO CC[C@H](COC)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866269752 589483874 /nfs/dbraw/zinc/48/38/74/589483874.db2.gz ZAQOHJBUFZQQHV-CMPLNLGQSA-N 1 2 248.326 2.339 20 30 BEEDLO CC[C@H](COC)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866269761 589483929 /nfs/dbraw/zinc/48/39/29/589483929.db2.gz ZAQOHJBUFZQQHV-ZYHUDNBSSA-N 1 2 248.326 2.339 20 30 BEEDLO C[C@@H](CCCO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866282261 589484121 /nfs/dbraw/zinc/48/41/21/589484121.db2.gz GZACMRDUNGKWQE-QWRGUYRKSA-N 1 2 248.326 2.075 20 30 BEEDLO C[C@@H]([NH2+]CCC(C)(C)O)c1cccc(C#N)c1O ZINC000866343741 589487317 /nfs/dbraw/zinc/48/73/17/589487317.db2.gz PFPKGTLMZPQOMX-SNVBAGLBSA-N 1 2 248.326 2.075 20 30 BEEDLO CC[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)OC ZINC000866360969 589487906 /nfs/dbraw/zinc/48/79/06/589487906.db2.gz IRZYMRCIAABEDG-ZYHUDNBSSA-N 1 2 248.326 2.339 20 30 BEEDLO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc(C#N)c1O ZINC000866380795 589488998 /nfs/dbraw/zinc/48/89/98/589488998.db2.gz DSHBORHAJTVZPE-CKYFFXLPSA-N 1 2 246.310 2.092 20 30 BEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccsc1C ZINC000870687595 589683899 /nfs/dbraw/zinc/68/38/99/589683899.db2.gz JPBNTGCAAAEQKJ-LBPRGKRZSA-N 1 2 248.351 2.093 20 30 BEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccsc1C ZINC000870687595 589683900 /nfs/dbraw/zinc/68/39/00/589683900.db2.gz JPBNTGCAAAEQKJ-LBPRGKRZSA-N 1 2 248.351 2.093 20 30 BEEDLO C=C[C@H]([NH2+]CCCC(C)(C)C=C)C(=O)OC ZINC000871930415 589834443 /nfs/dbraw/zinc/83/44/43/589834443.db2.gz MTSDECAXSATGNA-NSHDSACASA-N 1 2 225.332 2.296 20 30 BEEDLO CN(C)c1ccc(F)cc1C=[NH+]NCC(F)F ZINC000872354097 589916960 /nfs/dbraw/zinc/91/69/60/589916960.db2.gz LGDOYGUPXRAENI-UHFFFAOYSA-N 1 2 245.248 2.080 20 30 BEEDLO CCNc1ccccc1C=[NH+]N1CCCC1=O ZINC000872360803 589919592 /nfs/dbraw/zinc/91/95/92/589919592.db2.gz FCUDKMZLMJQXBN-UHFFFAOYSA-N 1 2 231.299 2.075 20 30 BEEDLO C(=NOCC1CCC1)c1c[nH]c2nc[nH+]cc12 ZINC000872391358 589931277 /nfs/dbraw/zinc/93/12/77/589931277.db2.gz QMINAKZUIFVKPB-UHFFFAOYSA-N 1 2 230.271 2.060 20 30 BEEDLO c1cnn([NH+]=C(C2CCC2)[C@@H]2CCCO2)c1 ZINC000872392893 589931907 /nfs/dbraw/zinc/93/19/07/589931907.db2.gz BTWGBHKZHYKXGJ-NSHDSACASA-N 1 2 219.288 2.066 20 30 BEEDLO C=CC(C)(C)CCCNc1nc(C)[nH+]c(N)n1 ZINC000872683163 589961272 /nfs/dbraw/zinc/96/12/72/589961272.db2.gz OLUACBSUIBKTDF-UHFFFAOYSA-N 1 2 235.335 2.167 20 30 BEEDLO C=CC(C)(C)CCCNc1nc(N)nc(C)[nH+]1 ZINC000872683163 589961274 /nfs/dbraw/zinc/96/12/74/589961274.db2.gz OLUACBSUIBKTDF-UHFFFAOYSA-N 1 2 235.335 2.167 20 30 BEEDLO CC(C)C[N@H+](CCC#N)Cc1cccc(C#N)n1 ZINC000876529316 590209602 /nfs/dbraw/zinc/20/96/02/590209602.db2.gz FQECFIJCYLJHRG-UHFFFAOYSA-N 1 2 242.326 2.325 20 30 BEEDLO CC(C)C[N@@H+](CCC#N)Cc1cccc(C#N)n1 ZINC000876529316 590209604 /nfs/dbraw/zinc/20/96/04/590209604.db2.gz FQECFIJCYLJHRG-UHFFFAOYSA-N 1 2 242.326 2.325 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876617321 590222663 /nfs/dbraw/zinc/22/26/63/590222663.db2.gz KOUQXDXVWQBALV-MRVPVSSYSA-N 1 2 240.253 2.262 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876617321 590222664 /nfs/dbraw/zinc/22/26/64/590222664.db2.gz KOUQXDXVWQBALV-MRVPVSSYSA-N 1 2 240.253 2.262 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1c(C)cccc1O ZINC000876691440 590231372 /nfs/dbraw/zinc/23/13/72/590231372.db2.gz JKJFTURCQJQHSE-UHFFFAOYSA-N 1 2 248.326 2.063 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1c(C)cccc1O ZINC000876691440 590231373 /nfs/dbraw/zinc/23/13/73/590231373.db2.gz JKJFTURCQJQHSE-UHFFFAOYSA-N 1 2 248.326 2.063 20 30 BEEDLO C#CCCCCCC[N@@H+](CCO)CC(F)F ZINC000877491425 590340052 /nfs/dbraw/zinc/34/00/52/590340052.db2.gz SDPIHYXHHVGYDW-UHFFFAOYSA-N 1 2 233.302 2.130 20 30 BEEDLO C#CCCCCCC[N@H+](CCO)CC(F)F ZINC000877491425 590340054 /nfs/dbraw/zinc/34/00/54/590340054.db2.gz SDPIHYXHHVGYDW-UHFFFAOYSA-N 1 2 233.302 2.130 20 30 BEEDLO C[N@H+](Cc1ccc(Cl)nn1)CC(C)(C)C#N ZINC000877548993 590354443 /nfs/dbraw/zinc/35/44/43/590354443.db2.gz FUGQJSOYSULUBZ-UHFFFAOYSA-N 1 2 238.722 2.112 20 30 BEEDLO C[N@@H+](Cc1ccc(Cl)nn1)CC(C)(C)C#N ZINC000877548993 590354445 /nfs/dbraw/zinc/35/44/45/590354445.db2.gz FUGQJSOYSULUBZ-UHFFFAOYSA-N 1 2 238.722 2.112 20 30 BEEDLO COC(=O)CC[N@H+](CC#N)C[C@@H](C)CC(C)C ZINC000877710719 590398281 /nfs/dbraw/zinc/39/82/81/590398281.db2.gz TUWVHULXMKXTNR-LBPRGKRZSA-N 1 2 240.347 2.057 20 30 BEEDLO COC(=O)CC[N@@H+](CC#N)C[C@@H](C)CC(C)C ZINC000877710719 590398283 /nfs/dbraw/zinc/39/82/83/590398283.db2.gz TUWVHULXMKXTNR-LBPRGKRZSA-N 1 2 240.347 2.057 20 30 BEEDLO C=CC[N@H+](Cc1nc(CC2CC2)no1)C(C)C ZINC000877975058 590464305 /nfs/dbraw/zinc/46/43/05/590464305.db2.gz DADHNUYKSKIKOG-UHFFFAOYSA-N 1 2 235.331 2.419 20 30 BEEDLO C=CC[N@@H+](Cc1nc(CC2CC2)no1)C(C)C ZINC000877975058 590464307 /nfs/dbraw/zinc/46/43/07/590464307.db2.gz DADHNUYKSKIKOG-UHFFFAOYSA-N 1 2 235.331 2.419 20 30 BEEDLO C=CC(C)(C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000878008706 590471503 /nfs/dbraw/zinc/47/15/03/590471503.db2.gz MYMCUMUOERRESL-UHFFFAOYSA-N 1 2 218.300 2.353 20 30 BEEDLO C=C1CCN(Cc2[nH+]ccn2CC(F)F)CC1 ZINC000878087357 590489232 /nfs/dbraw/zinc/48/92/32/590489232.db2.gz KLVOLMIKEKMAAR-UHFFFAOYSA-N 1 2 241.285 2.300 20 30 BEEDLO C=CC[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)OC ZINC000878345043 590553169 /nfs/dbraw/zinc/55/31/69/590553169.db2.gz KZXYLIZYECEKGI-AAEUAGOBSA-N 1 2 233.311 2.455 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000878514468 590585014 /nfs/dbraw/zinc/58/50/14/590585014.db2.gz VMKXNZHURUXRFC-UHFFFAOYSA-N 1 2 233.315 2.181 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000878514468 590585016 /nfs/dbraw/zinc/58/50/16/590585016.db2.gz VMKXNZHURUXRFC-UHFFFAOYSA-N 1 2 233.315 2.181 20 30 BEEDLO CO[C@H]1C[C@@H](C[N@@H+]2CCCC(C)(C)[C@H]2C#N)C1 ZINC000878517231 590585431 /nfs/dbraw/zinc/58/54/31/590585431.db2.gz KQRMWHUNNBAJKP-FRRDWIJNSA-N 1 2 236.359 2.426 20 30 BEEDLO CO[C@H]1C[C@@H](C[N@H+]2CCCC(C)(C)[C@H]2C#N)C1 ZINC000878517231 590585432 /nfs/dbraw/zinc/58/54/32/590585432.db2.gz KQRMWHUNNBAJKP-FRRDWIJNSA-N 1 2 236.359 2.426 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878516913 590585769 /nfs/dbraw/zinc/58/57/69/590585769.db2.gz LQHFZJHXKLZOJX-JTQLQIEISA-N 1 2 218.300 2.007 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878516913 590585771 /nfs/dbraw/zinc/58/57/71/590585771.db2.gz LQHFZJHXKLZOJX-JTQLQIEISA-N 1 2 218.300 2.007 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)o1 ZINC000878524384 590586806 /nfs/dbraw/zinc/58/68/06/590586806.db2.gz OPBCFLINRLLPPM-CYBMUJFWSA-N 1 2 242.282 2.211 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)o1 ZINC000878524384 590586807 /nfs/dbraw/zinc/58/68/07/590586807.db2.gz OPBCFLINRLLPPM-CYBMUJFWSA-N 1 2 242.282 2.211 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878639194 590598862 /nfs/dbraw/zinc/59/88/62/590598862.db2.gz CWVXHQLMRGFLGE-IHRRRGAJSA-N 1 2 234.343 2.346 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878639194 590598864 /nfs/dbraw/zinc/59/88/64/590598864.db2.gz CWVXHQLMRGFLGE-IHRRRGAJSA-N 1 2 234.343 2.346 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878639195 590599178 /nfs/dbraw/zinc/59/91/78/590599178.db2.gz CWVXHQLMRGFLGE-MELADBBJSA-N 1 2 234.343 2.346 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878639195 590599180 /nfs/dbraw/zinc/59/91/80/590599180.db2.gz CWVXHQLMRGFLGE-MELADBBJSA-N 1 2 234.343 2.346 20 30 BEEDLO Cc1ccc(C[NH2+][C@H](C)CC#N)nc1Cl ZINC000878820900 590627717 /nfs/dbraw/zinc/62/77/17/590627717.db2.gz QDUSFLTVRUYTDZ-SECBINFHSA-N 1 2 223.707 2.435 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000878821498 590627914 /nfs/dbraw/zinc/62/79/14/590627914.db2.gz ZOZKYILSNFPJAQ-QMMMGPOBSA-N 1 2 237.234 2.126 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000878821497 590628001 /nfs/dbraw/zinc/62/80/01/590628001.db2.gz ZOZKYILSNFPJAQ-MRVPVSSYSA-N 1 2 237.234 2.126 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878876378 590637969 /nfs/dbraw/zinc/63/79/69/590637969.db2.gz LOJSLEBDVKGSCM-SNVBAGLBSA-N 1 2 211.696 2.299 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878876378 590637972 /nfs/dbraw/zinc/63/79/72/590637972.db2.gz LOJSLEBDVKGSCM-SNVBAGLBSA-N 1 2 211.696 2.299 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)CC=C ZINC000878917621 590649908 /nfs/dbraw/zinc/64/99/08/590649908.db2.gz QSRVBYCZVZBIOP-GFCCVEGCSA-N 1 2 237.343 2.228 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)CC=C ZINC000878917621 590649911 /nfs/dbraw/zinc/64/99/11/590649911.db2.gz QSRVBYCZVZBIOP-GFCCVEGCSA-N 1 2 237.343 2.228 20 30 BEEDLO C[N@H+](Cc1ccc(C#N)o1)[C@H]1CCC[C@H]1C#N ZINC000879308549 590734411 /nfs/dbraw/zinc/73/44/11/590734411.db2.gz COCMFKPVFPAYNI-GWCFXTLKSA-N 1 2 229.283 2.275 20 30 BEEDLO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCC[C@H]1C#N ZINC000879308549 590734417 /nfs/dbraw/zinc/73/44/17/590734417.db2.gz COCMFKPVFPAYNI-GWCFXTLKSA-N 1 2 229.283 2.275 20 30 BEEDLO C#CCC[N@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879737093 590857988 /nfs/dbraw/zinc/85/79/88/590857988.db2.gz BOLOGGSBYBFTAB-OAHLLOKOSA-N 1 2 245.322 2.092 20 30 BEEDLO C#CCC[N@@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879737093 590857991 /nfs/dbraw/zinc/85/79/91/590857991.db2.gz BOLOGGSBYBFTAB-OAHLLOKOSA-N 1 2 245.322 2.092 20 30 BEEDLO Cc1cncc([C@@H]2CCC[N@@H+]2CCC#N)c1 ZINC000879749615 590858178 /nfs/dbraw/zinc/85/81/78/590858178.db2.gz ZVEFTXMGLGGBCM-ZDUSSCGKSA-N 1 2 215.300 2.441 20 30 BEEDLO Cc1cncc([C@@H]2CCC[N@H+]2CCC#N)c1 ZINC000879749615 590858179 /nfs/dbraw/zinc/85/81/79/590858179.db2.gz ZVEFTXMGLGGBCM-ZDUSSCGKSA-N 1 2 215.300 2.441 20 30 BEEDLO CO[C@H](C)C(N)=[NH+]OCC1CCCCCC1 ZINC000128093722 590891703 /nfs/dbraw/zinc/89/17/03/590891703.db2.gz MWBQGMYIILKSMJ-SNVBAGLBSA-N 1 2 228.336 2.281 20 30 BEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000880158111 590947149 /nfs/dbraw/zinc/94/71/49/590947149.db2.gz DHIZGFKPJULRHM-JTQLQIEISA-N 1 2 233.315 2.046 20 30 BEEDLO C=CC(C)(C)CC(=O)NCc1[nH+]ccn1CC ZINC000880190813 590955593 /nfs/dbraw/zinc/95/55/93/590955593.db2.gz YZDGSRBNWJYZPI-UHFFFAOYSA-N 1 2 235.331 2.122 20 30 BEEDLO C#CCOc1ccc(C[NH2+][C@@H](C)C(F)F)cc1 ZINC000883407089 591650978 /nfs/dbraw/zinc/65/09/78/591650978.db2.gz KNZVSSKKCHXPBF-JTQLQIEISA-N 1 2 239.265 2.442 20 30 BEEDLO C=CCOC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000132222945 591694501 /nfs/dbraw/zinc/69/45/01/591694501.db2.gz GUEMELFUKMYXAX-GFCCVEGCSA-N 1 2 245.322 2.162 20 30 BEEDLO C=CCOC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000132222945 591694505 /nfs/dbraw/zinc/69/45/05/591694505.db2.gz GUEMELFUKMYXAX-GFCCVEGCSA-N 1 2 245.322 2.162 20 30 BEEDLO Oc1ccc(/C=[NH+]/CCC2CCC2)c(O)c1O ZINC000132446009 591710074 /nfs/dbraw/zinc/71/00/74/591710074.db2.gz XLIMAXBPCCFQHT-RIYZIHGNSA-N 1 2 235.283 2.413 20 30 BEEDLO CCCCCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000134496037 591932059 /nfs/dbraw/zinc/93/20/59/591932059.db2.gz OFFGMPVWGIKLDD-UHFFFAOYSA-N 1 2 237.347 2.429 20 30 BEEDLO C#C[C@@H](Nc1cc[nH+]c(CC)n1)C(C)C ZINC000884496475 591957099 /nfs/dbraw/zinc/95/70/99/591957099.db2.gz XRTIQYXFHMPIHM-SNVBAGLBSA-N 1 2 203.289 2.109 20 30 BEEDLO C=CCOCCCNc1cc[nH+]c(CC)n1 ZINC000884557275 591978487 /nfs/dbraw/zinc/97/84/87/591978487.db2.gz LCVQLEOMLAAGTO-UHFFFAOYSA-N 1 2 221.304 2.044 20 30 BEEDLO C#CC[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000884594151 591991038 /nfs/dbraw/zinc/99/10/38/591991038.db2.gz ASUAQKVQVNZYQI-LLVKDONJSA-N 1 2 227.311 2.204 20 30 BEEDLO N#C[C@@]1(F)CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886164729 592167694 /nfs/dbraw/zinc/16/76/94/592167694.db2.gz SOWRFTSGAWMQNU-AGIUHOORSA-N 1 2 222.307 2.360 20 30 BEEDLO N#C[C@@]1(F)CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886164729 592167696 /nfs/dbraw/zinc/16/76/96/592167696.db2.gz SOWRFTSGAWMQNU-AGIUHOORSA-N 1 2 222.307 2.360 20 30 BEEDLO C#CC[C@@H]1CC[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000886356294 592216480 /nfs/dbraw/zinc/21/64/80/592216480.db2.gz XNXXRIAQPRZBIY-LLVKDONJSA-N 1 2 247.342 2.212 20 30 BEEDLO C#CC[C@@H]1CC[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000886356294 592216483 /nfs/dbraw/zinc/21/64/83/592216483.db2.gz XNXXRIAQPRZBIY-LLVKDONJSA-N 1 2 247.342 2.212 20 30 BEEDLO Oc1ccc(/C=[NH+]/C[C@H]2C=CCC2)c(O)c1O ZINC000887268328 592472993 /nfs/dbraw/zinc/47/29/93/592472993.db2.gz JADFVRIDGBVJAE-PFMRQGHBSA-N 1 2 233.267 2.189 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]\C[C@H]1C[C@H](OC)C1 ZINC000887268176 592473266 /nfs/dbraw/zinc/47/32/66/592473266.db2.gz DQVQMZCOCJUTPP-RIZYPSQBSA-N 1 2 249.310 2.245 20 30 BEEDLO C=C(Cl)C[NH+]1CCC(C(C)=O)CC1 ZINC000082644873 634465149 /nfs/dbraw/zinc/46/51/49/634465149.db2.gz CSPFBTFVSYGZMQ-UHFFFAOYSA-N 1 2 201.697 2.040 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1 ZINC000934511456 631892126 /nfs/dbraw/zinc/89/21/26/631892126.db2.gz ODMFEFTUWKWHGA-AWEZNQCLSA-N 1 2 242.322 2.113 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000934511456 631892129 /nfs/dbraw/zinc/89/21/29/631892129.db2.gz ODMFEFTUWKWHGA-AWEZNQCLSA-N 1 2 242.322 2.113 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccncc1F ZINC000934514873 631897431 /nfs/dbraw/zinc/89/74/31/631897431.db2.gz CVUBXBMDYHFJRR-GFCCVEGCSA-N 1 2 218.275 2.208 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccncc1F ZINC000934514873 631897434 /nfs/dbraw/zinc/89/74/34/631897434.db2.gz CVUBXBMDYHFJRR-GFCCVEGCSA-N 1 2 218.275 2.208 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015791 631936131 /nfs/dbraw/zinc/93/61/31/631936131.db2.gz QDTZIFZUGPMIIA-UHFFFAOYSA-N 1 2 226.663 2.437 20 30 BEEDLO C=CCCC[N@@H+](CC)Cc1noc(CC)n1 ZINC000934649645 632003574 /nfs/dbraw/zinc/00/35/74/632003574.db2.gz WEKPUJKQNDIIJX-UHFFFAOYSA-N 1 2 223.320 2.420 20 30 BEEDLO C=CCCC[N@H+](CC)Cc1noc(CC)n1 ZINC000934649645 632003578 /nfs/dbraw/zinc/00/35/78/632003578.db2.gz WEKPUJKQNDIIJX-UHFFFAOYSA-N 1 2 223.320 2.420 20 30 BEEDLO C=C[C@@H](CC)CC(=O)OCc1ccc[nH+]c1N ZINC000909523294 636157640 /nfs/dbraw/zinc/15/76/40/636157640.db2.gz XOBISSLETVHERA-JTQLQIEISA-N 1 2 234.299 2.309 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1nccc2c1CCCC2 ZINC000893545346 635128487 /nfs/dbraw/zinc/12/84/87/635128487.db2.gz RTHMJTBRKRJWEC-LLVKDONJSA-N 1 2 229.327 2.210 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1csc(C#N)c1 ZINC000893607241 635230954 /nfs/dbraw/zinc/23/09/54/635230954.db2.gz WMYGJXKZJJGHRJ-SNVBAGLBSA-N 1 2 219.313 2.402 20 30 BEEDLO C#C[C@H]1CCCCN1c1cc(C)[nH+]c(CC)n1 ZINC000897360529 636421238 /nfs/dbraw/zinc/42/12/38/636421238.db2.gz IXZKMTHNJAEUBP-LBPRGKRZSA-N 1 2 229.327 2.340 20 30 BEEDLO C=C(C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897898649 636844834 /nfs/dbraw/zinc/84/48/34/636844834.db2.gz PDMXHIKUHATTIT-UHFFFAOYSA-N 1 2 235.331 2.009 20 30 BEEDLO C=C(Cl)COC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923891039 637004996 /nfs/dbraw/zinc/00/49/96/637004996.db2.gz JQIVEMITSDZTSL-SNVBAGLBSA-N 1 2 231.723 2.155 20 30 BEEDLO C=C(Cl)COC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923891039 637004998 /nfs/dbraw/zinc/00/49/98/637004998.db2.gz JQIVEMITSDZTSL-SNVBAGLBSA-N 1 2 231.723 2.155 20 30 BEEDLO C=CC(C)(C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904268668 637395543 /nfs/dbraw/zinc/39/55/43/637395543.db2.gz YGEPNERDVYTKMV-UHFFFAOYSA-N 1 2 244.298 2.486 20 30 BEEDLO CC[C@@H](C#N)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000904666750 637454204 /nfs/dbraw/zinc/45/42/04/637454204.db2.gz TVGAIFJZUISTPD-NSHDSACASA-N 1 2 231.299 2.039 20 30 BEEDLO COC(=O)CC(C)(C)C/[NH+]=C\c1ccccc1O ZINC000905000970 637537657 /nfs/dbraw/zinc/53/76/57/637537657.db2.gz BQCSWWFAQPVANE-DHDCSXOGSA-N 1 2 249.310 2.400 20 30 BEEDLO c1cn(CCCNN=C2C[C@@H]3CCC[C@H]3C2)c[nH+]1 ZINC000905484368 637820360 /nfs/dbraw/zinc/82/03/60/637820360.db2.gz OQUCAEUGVUIJDM-STQMWFEESA-N 1 2 246.358 2.429 20 30 BEEDLO CC(=NN1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000905493804 637836728 /nfs/dbraw/zinc/83/67/28/637836728.db2.gz WRABQNDTSRVNRA-UHFFFAOYSA-N 1 2 240.310 2.302 20 30 BEEDLO C=CC[C@@H]([NH2+]CCc1ccccc1C)C(=O)OC ZINC000905748295 637896606 /nfs/dbraw/zinc/89/66/06/637896606.db2.gz VNPSPEJUMFVAIN-CQSZACIVSA-N 1 2 247.338 2.245 20 30 BEEDLO C=CCSCC[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000905761105 637917301 /nfs/dbraw/zinc/91/73/01/637917301.db2.gz DPFWXGYKNBPJGE-WDEREUQCSA-N 1 2 245.388 2.083 20 30 BEEDLO C=CC[C@H]([NH2+]C[C@H]1CCCC1(F)F)C(=O)OC ZINC000905771666 637926517 /nfs/dbraw/zinc/92/65/17/637926517.db2.gz VQBLOXDXDXPPGF-ZJUUUORDSA-N 1 2 247.285 2.129 20 30 BEEDLO CC[C@H](C)[C@@H]([NH2+]CC(C)(C)CC#N)C(=O)OC ZINC000905772494 637927341 /nfs/dbraw/zinc/92/73/41/637927341.db2.gz OYRVKLQNXLNKGB-WDEREUQCSA-N 1 2 240.347 2.104 20 30 BEEDLO C=CC[C@H]([NH2+][C@@H]1C[C@H]1CC(C)C)C(=O)OC ZINC000905774125 637928991 /nfs/dbraw/zinc/92/89/91/637928991.db2.gz YBDHVZJQVNXEDD-GRYCIOLGSA-N 1 2 225.332 2.128 20 30 BEEDLO Cc1cc(C)c(C(=O)NCCCCC#N)c(C)[nH+]1 ZINC000906569812 638216352 /nfs/dbraw/zinc/21/63/52/638216352.db2.gz NQFXCCLCRUQPNL-UHFFFAOYSA-N 1 2 245.326 2.431 20 30 BEEDLO C=CC[C@H](CC)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000907963884 638525837 /nfs/dbraw/zinc/52/58/37/638525837.db2.gz XYXZZHHBSATBNG-LBPRGKRZSA-N 1 2 249.358 2.398 20 30 BEEDLO C[C@H]([NH2+]Cc1nncs1)c1cccc(C#N)c1 ZINC000930214799 639638182 /nfs/dbraw/zinc/63/81/82/639638182.db2.gz XCIVVYTWNIAKPJ-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO COC[C@@H](C[N@H+]([C@H](C)C#N)C1CC1)C(C)C ZINC000930974350 640009923 /nfs/dbraw/zinc/00/99/23/640009923.db2.gz VNQIUYCUWAJSOB-VXGBXAGGSA-N 1 2 224.348 2.281 20 30 BEEDLO COC[C@@H](C[N@@H+]([C@H](C)C#N)C1CC1)C(C)C ZINC000930974350 640009925 /nfs/dbraw/zinc/00/99/25/640009925.db2.gz VNQIUYCUWAJSOB-VXGBXAGGSA-N 1 2 224.348 2.281 20 30 BEEDLO C=C(CC)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721791 640341615 /nfs/dbraw/zinc/34/16/15/640341615.db2.gz VPZGSQLAEVWKED-OLZOCXBDSA-N 1 2 208.349 2.121 20 30 BEEDLO C=C(CC)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721791 640341616 /nfs/dbraw/zinc/34/16/16/640341616.db2.gz VPZGSQLAEVWKED-OLZOCXBDSA-N 1 2 208.349 2.121 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000932160414 640446527 /nfs/dbraw/zinc/44/65/27/640446527.db2.gz DICNQNRSRIRORA-RISCZKNCSA-N 1 2 248.301 2.095 20 30 BEEDLO N#C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000932160414 640446529 /nfs/dbraw/zinc/44/65/29/640446529.db2.gz DICNQNRSRIRORA-RISCZKNCSA-N 1 2 248.301 2.095 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932259876 640460204 /nfs/dbraw/zinc/46/02/04/640460204.db2.gz BACMOVPCPYNLPZ-LLVKDONJSA-N 1 2 225.723 2.310 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932259876 640460211 /nfs/dbraw/zinc/46/02/11/640460211.db2.gz BACMOVPCPYNLPZ-LLVKDONJSA-N 1 2 225.723 2.310 20 30 BEEDLO N#CCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932377357 640506220 /nfs/dbraw/zinc/50/62/20/640506220.db2.gz BGEHPNBBRRGFKA-GFCCVEGCSA-N 1 2 201.273 2.036 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932432919 640525932 /nfs/dbraw/zinc/52/59/32/640525932.db2.gz MMORGFXXGSMOCI-JTQLQIEISA-N 1 2 244.766 2.118 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932432919 640525938 /nfs/dbraw/zinc/52/59/38/640525938.db2.gz MMORGFXXGSMOCI-JTQLQIEISA-N 1 2 244.766 2.118 20 30 BEEDLO C#CC[N@@H+](Cc1nnc(C)n1C1CC1)C(C)(C)C ZINC000932464342 640538747 /nfs/dbraw/zinc/53/87/47/640538747.db2.gz XUYYEJFKLGLFHL-UHFFFAOYSA-N 1 2 246.358 2.155 20 30 BEEDLO C#CC[N@H+](Cc1nnc(C)n1C1CC1)C(C)(C)C ZINC000932464342 640538751 /nfs/dbraw/zinc/53/87/51/640538751.db2.gz XUYYEJFKLGLFHL-UHFFFAOYSA-N 1 2 246.358 2.155 20 30 BEEDLO C#CCC1([NH2+]Cc2noc(C3CCC3)n2)CCC1 ZINC000933295884 640700483 /nfs/dbraw/zinc/70/04/83/640700483.db2.gz YIXAMAINVJOACE-UHFFFAOYSA-N 1 2 245.326 2.373 20 30 BEEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000933299728 640702419 /nfs/dbraw/zinc/70/24/19/640702419.db2.gz VXJCZLWUMLFLFB-OLZOCXBDSA-N 1 2 249.358 2.238 20 30 BEEDLO C#CCC1([NH2+]Cc2noc(CCC)n2)CCC1 ZINC000933302898 640702957 /nfs/dbraw/zinc/70/29/57/640702957.db2.gz ZVNTZLNVZOSKLD-UHFFFAOYSA-N 1 2 233.315 2.058 20 30 BEEDLO C=C(Cl)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933644771 640737232 /nfs/dbraw/zinc/73/72/32/640737232.db2.gz VOQSYBOQNLPEQS-UHFFFAOYSA-N 1 2 241.718 2.077 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1cc(C(C)=O)no1 ZINC000934464799 641158874 /nfs/dbraw/zinc/15/88/74/641158874.db2.gz QAKMZOUZSJNOQL-JTQLQIEISA-N 1 2 220.272 2.028 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1cc(C(C)=O)no1 ZINC000934464799 641158877 /nfs/dbraw/zinc/15/88/77/641158877.db2.gz QAKMZOUZSJNOQL-JTQLQIEISA-N 1 2 220.272 2.028 20 30 BEEDLO C[C@@]1(C2CC2)COCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000934476038 641168244 /nfs/dbraw/zinc/16/82/44/641168244.db2.gz RAURUNUMFDLBMP-AWEZNQCLSA-N 1 2 246.310 2.152 20 30 BEEDLO C[C@@]1(C2CC2)COCC[N@H+]1Cc1ccc(C#N)o1 ZINC000934476038 641168248 /nfs/dbraw/zinc/16/82/48/641168248.db2.gz RAURUNUMFDLBMP-AWEZNQCLSA-N 1 2 246.310 2.152 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(C(C)C)no1 ZINC000934472967 641168324 /nfs/dbraw/zinc/16/83/24/641168324.db2.gz VTDRYLLSTNGUKH-SNVBAGLBSA-N 1 2 221.304 2.343 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(C(C)C)no1 ZINC000934472967 641168328 /nfs/dbraw/zinc/16/83/28/641168328.db2.gz VTDRYLLSTNGUKH-SNVBAGLBSA-N 1 2 221.304 2.343 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1csc(C)n1 ZINC000934508632 641176140 /nfs/dbraw/zinc/17/61/40/641176140.db2.gz DYXKGNKIFOZGJD-GFCCVEGCSA-N 1 2 220.341 2.439 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1csc(C)n1 ZINC000934508632 641176144 /nfs/dbraw/zinc/17/61/44/641176144.db2.gz DYXKGNKIFOZGJD-GFCCVEGCSA-N 1 2 220.341 2.439 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934570323 641201529 /nfs/dbraw/zinc/20/15/29/641201529.db2.gz DNAVQQYBLRUMGI-DDTOSNHZSA-N 1 2 248.301 2.024 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934570323 641201534 /nfs/dbraw/zinc/20/15/34/641201534.db2.gz DNAVQQYBLRUMGI-DDTOSNHZSA-N 1 2 248.301 2.024 20 30 BEEDLO C=CCCC[N@H+](CC)Cc1noc(C)n1 ZINC000934649208 641234985 /nfs/dbraw/zinc/23/49/85/641234985.db2.gz NRPYGPPRWYTPLQ-UHFFFAOYSA-N 1 2 209.293 2.166 20 30 BEEDLO C=CCCC[N@@H+](CC)Cc1noc(C)n1 ZINC000934649208 641234979 /nfs/dbraw/zinc/23/49/79/641234979.db2.gz NRPYGPPRWYTPLQ-UHFFFAOYSA-N 1 2 209.293 2.166 20 30 BEEDLO C=CC[NH+]1CC(N(CC)C(=O)c2ccccc2)C1 ZINC000949588376 641843621 /nfs/dbraw/zinc/84/36/21/641843621.db2.gz HGNHQOSRGVTXMY-UHFFFAOYSA-N 1 2 244.338 2.019 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCC=CCC2)C1 ZINC001031399053 642071409 /nfs/dbraw/zinc/07/14/09/642071409.db2.gz JSUWWFBQBNULGZ-UHFFFAOYSA-N 1 2 248.370 2.109 20 30 BEEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nnc(C)s2)C1 ZINC000847022868 642408801 /nfs/dbraw/zinc/40/88/01/642408801.db2.gz YRIQJIBDLHPUOY-KOLCDFICSA-N 1 2 235.356 2.253 20 30 BEEDLO C#C[C@H]1CCC[N@H+]([C@H](C)c2nnc(C)s2)C1 ZINC000847022868 642408815 /nfs/dbraw/zinc/40/88/15/642408815.db2.gz YRIQJIBDLHPUOY-KOLCDFICSA-N 1 2 235.356 2.253 20 30 BEEDLO C=C(Cl)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000307758208 642452946 /nfs/dbraw/zinc/45/29/46/642452946.db2.gz NXDUVEFNVNQTRC-VIFPVBQESA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000307758208 642452953 /nfs/dbraw/zinc/45/29/53/642452953.db2.gz NXDUVEFNVNQTRC-VIFPVBQESA-N 1 2 203.713 2.238 20 30 BEEDLO Cc1nnc(C)n1[NH+]=C/C=C\c1ccco1 ZINC000254307104 642707972 /nfs/dbraw/zinc/70/79/72/642707972.db2.gz KGTBJYDTRLYHMO-DODNQKSLSA-N 1 2 216.244 2.035 20 30 BEEDLO NC(Cc1ccccc1)=[NH+]OC1CCCC1 ZINC000181878420 642919598 /nfs/dbraw/zinc/91/95/98/642919598.db2.gz CXBBYOODWCARED-UHFFFAOYSA-N 1 2 218.300 2.461 20 30 BEEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000182618976 643041952 /nfs/dbraw/zinc/04/19/52/643041952.db2.gz XBQBXSSQNBPVQK-CQSZACIVSA-N 1 2 244.338 2.425 20 30 BEEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000182618976 643041960 /nfs/dbraw/zinc/04/19/60/643041960.db2.gz XBQBXSSQNBPVQK-CQSZACIVSA-N 1 2 244.338 2.425 20 30 BEEDLO Cl/C=C\CON=Cc1cccc2[nH+]ccn21 ZINC000811669131 643182293 /nfs/dbraw/zinc/18/22/93/643182293.db2.gz CJHAATUXEJIGPQ-GVUYREQWSA-N 1 2 235.674 2.437 20 30 BEEDLO Oc1ccccc1/C=[NH+]\CC1CCOCC1 ZINC000255065438 643399968 /nfs/dbraw/zinc/39/99/68/643399968.db2.gz VCUKKSHPWFUMOJ-UVTDQMKNSA-N 1 2 219.284 2.238 20 30 BEEDLO C=CCCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922502932 644005840 /nfs/dbraw/zinc/00/58/40/644005840.db2.gz GEHDBBLHADADSE-UHFFFAOYSA-N 1 2 220.272 2.063 20 30 BEEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1CCCOC1 ZINC000193679772 644271621 /nfs/dbraw/zinc/27/16/21/644271621.db2.gz HUYHVHYXPSAUPB-LUHPIMIVSA-N 1 2 219.284 2.238 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnn3ccccc23)C1 ZINC000827650496 645083194 /nfs/dbraw/zinc/08/31/94/645083194.db2.gz QXNZZCUFSSKSMO-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000827650496 645083197 /nfs/dbraw/zinc/08/31/97/645083197.db2.gz QXNZZCUFSSKSMO-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)CC1CC=CC1 ZINC000852427004 645479676 /nfs/dbraw/zinc/47/96/76/645479676.db2.gz QKUQXFBICQHJSU-UHFFFAOYSA-N 1 2 249.354 2.230 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)CC1CC=CC1 ZINC000852427004 645479679 /nfs/dbraw/zinc/47/96/79/645479679.db2.gz QKUQXFBICQHJSU-UHFFFAOYSA-N 1 2 249.354 2.230 20 30 BEEDLO C=CCC(CC=C)C(=O)NCc1ccc(N)[nH+]c1 ZINC000927777201 645656032 /nfs/dbraw/zinc/65/60/32/645656032.db2.gz RQURACGTWMBJQQ-UHFFFAOYSA-N 1 2 245.326 2.048 20 30 BEEDLO C#C[C@H]1CC[C@H](Nc2cc[nH+]c(C)n2)CC1 ZINC000872779972 645769476 /nfs/dbraw/zinc/76/94/76/645769476.db2.gz DVKBGEZISQFGJF-HAQNSBGRSA-N 1 2 215.300 2.389 20 30 BEEDLO C=CC[N@@H+](CC[N+](=O)[O-])Cc1cccs1 ZINC000929141181 645968685 /nfs/dbraw/zinc/96/86/85/645968685.db2.gz NQTSMHYTVJUYPW-UHFFFAOYSA-N 1 2 226.301 2.013 20 30 BEEDLO C=CC[N@H+](CC[N+](=O)[O-])Cc1cccs1 ZINC000929141181 645968696 /nfs/dbraw/zinc/96/86/96/645968696.db2.gz NQTSMHYTVJUYPW-UHFFFAOYSA-N 1 2 226.301 2.013 20 30 BEEDLO Cc1[nH]ncc1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925461042 646287819 /nfs/dbraw/zinc/28/78/19/646287819.db2.gz OKBBJXCOJJTUMH-VIFPVBQESA-N 1 2 220.320 2.136 20 30 BEEDLO COc1cccc(C[N@H+](C)CCC#N)c1C ZINC000929809724 646329363 /nfs/dbraw/zinc/32/93/63/646329363.db2.gz SSOVGXAUYGPTMT-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO COc1cccc(C[N@@H+](C)CCC#N)c1C ZINC000929809724 646329366 /nfs/dbraw/zinc/32/93/66/646329366.db2.gz SSOVGXAUYGPTMT-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C(C)=C2CCC2)C1 ZINC001042702120 710798366 /nfs/dbraw/zinc/79/83/66/710798366.db2.gz NJKCQNWJZCKRLR-UHFFFAOYSA-N 1 2 248.370 2.206 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001043059265 710802368 /nfs/dbraw/zinc/80/23/68/710802368.db2.gz INPOZZGHNIPZLW-CYBMUJFWSA-N 1 2 248.370 2.061 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](CCOCc2ccccc2)C1 ZINC000390792262 711134593 /nfs/dbraw/zinc/13/45/93/711134593.db2.gz XFJDDANDJYYGQW-HNNXBMFYSA-N 1 2 244.338 2.439 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000390792262 711134597 /nfs/dbraw/zinc/13/45/97/711134597.db2.gz XFJDDANDJYYGQW-HNNXBMFYSA-N 1 2 244.338 2.439 20 30 BEEDLO C=C[C@@H]([NH2+]CC1CCC(=C)CC1)C(=O)OC ZINC000724461918 710741022 /nfs/dbraw/zinc/74/10/22/710741022.db2.gz DRSNAHOKUYNAPO-GFCCVEGCSA-N 1 2 223.316 2.050 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)OCc1ccccc1 ZINC000934469400 711587768 /nfs/dbraw/zinc/58/77/68/711587768.db2.gz UACBAMTYBAHLLY-AWEZNQCLSA-N 1 2 245.322 2.380 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1CC(=O)OCc1ccccc1 ZINC000934469400 711587769 /nfs/dbraw/zinc/58/77/69/711587769.db2.gz UACBAMTYBAHLLY-AWEZNQCLSA-N 1 2 245.322 2.380 20 30 BEEDLO CC(C)(C)c1coc(C[NH2+]CCCC#N)n1 ZINC000921985126 711951310 /nfs/dbraw/zinc/95/13/10/711951310.db2.gz OSCHGDJJAOKDKA-UHFFFAOYSA-N 1 2 221.304 2.365 20 30 BEEDLO N#CC1(C[NH2+]Cc2cccc3c2OCC3)CC1 ZINC000703144042 712067019 /nfs/dbraw/zinc/06/70/19/712067019.db2.gz OKVCVJANHMLLLK-UHFFFAOYSA-N 1 2 228.295 2.015 20 30 BEEDLO COc1ccc2c(c1)C(=O)/C(=C\c1[nH]cc[nH+]1)C2 ZINC000747441062 712404546 /nfs/dbraw/zinc/40/45/46/712404546.db2.gz RADRYXOYWYWXAS-YFHOEESVSA-N 1 2 240.262 2.241 20 30 BEEDLO CCON=C(C)C[NH+]1Cc2ccccc2C1 ZINC000792631336 712423134 /nfs/dbraw/zinc/42/31/34/712423134.db2.gz ROBSURYELZLDST-UHFFFAOYSA-N 1 2 218.300 2.415 20 30 BEEDLO Cc1c(F)cccc1C[N@H+](C)CCC#N ZINC001204506964 967007377 /nfs/dbraw/zinc/00/73/77/967007377.db2.gz PIHDKLBUPSEWAC-UHFFFAOYSA-N 1 2 206.264 2.480 20 30 BEEDLO Cc1c(F)cccc1C[N@@H+](C)CCC#N ZINC001204506964 967007384 /nfs/dbraw/zinc/00/73/84/967007384.db2.gz PIHDKLBUPSEWAC-UHFFFAOYSA-N 1 2 206.264 2.480 20 30 BEEDLO Cc1[nH+]cc(Nc2ccc(C#N)cc2O)cc1N ZINC001210289665 1165866903 /nfs/dbraw/zinc/86/69/03/1165866903.db2.gz WZIYZXBMQBEKHG-UHFFFAOYSA-N 1 2 240.266 2.293 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@@H]1COc2ccccc21 ZINC000070068966 1165912395 /nfs/dbraw/zinc/91/23/95/1165912395.db2.gz NXHIWEIXQNOCDW-ZYHUDNBSSA-N 1 2 216.284 2.402 20 30 BEEDLO C#CCCc1[nH]c2cc(F)c(OC)cc2[nH+]1 ZINC001250605068 968150533 /nfs/dbraw/zinc/15/05/33/968150533.db2.gz IYGOLPNTAZWHNP-UHFFFAOYSA-N 1 2 218.231 2.276 20 30 BEEDLO CC[C@@H](C#N)[NH2+]C1CCC(F)(F)CC1 ZINC000306317010 1166292409 /nfs/dbraw/zinc/29/24/09/1166292409.db2.gz HQGBZNVCULDSSH-QMMMGPOBSA-N 1 2 202.248 2.456 20 30 BEEDLO C=C[C@@H](O)C[N@@H+](C)Cc1csc(C(C)C)n1 ZINC001253585436 969266043 /nfs/dbraw/zinc/26/60/43/969266043.db2.gz XMXGRCDAMHUWCG-LLVKDONJSA-N 1 2 240.372 2.245 20 30 BEEDLO C=C[C@@H](O)C[N@H+](C)Cc1csc(C(C)C)n1 ZINC001253585436 969266047 /nfs/dbraw/zinc/26/60/47/969266047.db2.gz XMXGRCDAMHUWCG-LLVKDONJSA-N 1 2 240.372 2.245 20 30 BEEDLO Oc1ccccc1/C=[NH+]\CCCn1cccn1 ZINC000255555316 1166312413 /nfs/dbraw/zinc/31/24/13/1166312413.db2.gz YIOUWFPGLIFWOD-KAMYIIQDSA-N 1 2 229.283 2.098 20 30 BEEDLO COC1CCC([NH2+][C@@H](C#N)CC(C)C)CC1 ZINC001255451192 970183793 /nfs/dbraw/zinc/18/37/93/970183793.db2.gz JUOGHMXMNBABAC-OTTFEQOBSA-N 1 2 224.348 2.472 20 30 BEEDLO CC[C@@H]1C[C@@H]([NH2+][C@](C)(C#N)C(C)C)CCO1 ZINC001170168599 970541488 /nfs/dbraw/zinc/54/14/88/970541488.db2.gz JHKCQIXWDICKGK-YNEHKIRRSA-N 1 2 224.348 2.472 20 30 BEEDLO CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@H]2C#N)CCO1 ZINC001170226262 970627769 /nfs/dbraw/zinc/62/77/69/970627769.db2.gz IDWBCQQANHZGFB-FRRDWIJNSA-N 1 2 222.332 2.322 20 30 BEEDLO CC[C@@H]1C[C@H]([N@H+]2CCCC[C@H]2C#N)CCO1 ZINC001170226262 970627775 /nfs/dbraw/zinc/62/77/75/970627775.db2.gz IDWBCQQANHZGFB-FRRDWIJNSA-N 1 2 222.332 2.322 20 30 BEEDLO C=C[C@H](COC)[NH2+]Cc1csc(C2CC2)n1 ZINC000381483221 1166936144 /nfs/dbraw/zinc/93/61/44/1166936144.db2.gz UEKKYWSPNBXWNX-SNVBAGLBSA-N 1 2 238.356 2.311 20 30 BEEDLO CC1(C#N)C[NH+](C2CCC(CC#N)CC2)C1 ZINC001173331059 975281397 /nfs/dbraw/zinc/28/13/97/975281397.db2.gz LALDBFWQACHXMC-UHFFFAOYSA-N 1 2 217.316 2.304 20 30 BEEDLO Cc1cc(C[NH2+][C@H](C)CC#N)cnc1Cl ZINC000309017600 1167237943 /nfs/dbraw/zinc/23/79/43/1167237943.db2.gz VEHMBCRROBIDGF-SECBINFHSA-N 1 2 223.707 2.435 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)s1 ZINC001232844242 978308907 /nfs/dbraw/zinc/30/89/07/978308907.db2.gz KKWLGHHFOMSCSZ-UWJYBYFXSA-N 1 2 236.315 2.410 20 30 BEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)s1 ZINC001232844242 978308914 /nfs/dbraw/zinc/30/89/14/978308914.db2.gz KKWLGHHFOMSCSZ-UWJYBYFXSA-N 1 2 236.315 2.410 20 30 BEEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001233047248 978435628 /nfs/dbraw/zinc/43/56/28/978435628.db2.gz SVDPMUFWCDTFSK-SNVBAGLBSA-N 1 2 239.269 2.363 20 30 BEEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001233047248 978435631 /nfs/dbraw/zinc/43/56/31/978435631.db2.gz SVDPMUFWCDTFSK-SNVBAGLBSA-N 1 2 239.269 2.363 20 30 BEEDLO C=CC[N@@H+](C)Cc1c(F)c(OC)ccc1OC ZINC001237583488 979946389 /nfs/dbraw/zinc/94/63/89/979946389.db2.gz AHHKPUGQWIESKS-UHFFFAOYSA-N 1 2 239.290 2.461 20 30 BEEDLO C=CC[N@H+](C)Cc1c(F)c(OC)ccc1OC ZINC001237583488 979946391 /nfs/dbraw/zinc/94/63/91/979946391.db2.gz AHHKPUGQWIESKS-UHFFFAOYSA-N 1 2 239.290 2.461 20 30 BEEDLO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C#N)CC(C)C)C1 ZINC001172923131 1168683255 /nfs/dbraw/zinc/68/32/55/1168683255.db2.gz LSUZFYRTTNJJPL-FRRDWIJNSA-N 1 2 224.348 2.472 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)CCC(C)C)C1 ZINC001671094966 1168977330 /nfs/dbraw/zinc/97/73/30/1168977330.db2.gz CRSJSEKNINMOMB-UHFFFAOYSA-N 1 2 238.375 2.141 20 30 BEEDLO CCC[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001201652496 983405823 /nfs/dbraw/zinc/40/58/23/983405823.db2.gz OHQFDHUIUBAYNQ-UHFFFAOYSA-N 1 2 216.284 2.031 20 30 BEEDLO CC(C)COCC[C@@H](C)[N@@H+]1CCC[C@H]1C#N ZINC001172464742 974828486 /nfs/dbraw/zinc/82/84/86/974828486.db2.gz FAJINQIHUWTERC-OLZOCXBDSA-N 1 2 224.348 2.426 20 30 BEEDLO CC(C)COCC[C@@H](C)[N@H+]1CCC[C@H]1C#N ZINC001172464742 974828490 /nfs/dbraw/zinc/82/84/90/974828490.db2.gz FAJINQIHUWTERC-OLZOCXBDSA-N 1 2 224.348 2.426 20 30 BEEDLO Nc1ccc(NCC#Cc2ccccc2)c[nH+]1 ZINC001170427208 970788849 /nfs/dbraw/zinc/78/88/49/970788849.db2.gz HLSVIIZWQOWWIB-UHFFFAOYSA-N 1 2 223.279 2.127 20 30 BEEDLO N#CC1CCC([N@@H+]2CCCC(=O)[C@H](F)C2)CC1 ZINC001256964750 971037954 /nfs/dbraw/zinc/03/79/54/971037954.db2.gz CJABSDADKBBOBF-HTAVTVPLSA-N 1 2 238.306 2.072 20 30 BEEDLO N#CC1CCC([N@H+]2CCCC(=O)[C@H](F)C2)CC1 ZINC001256964750 971037949 /nfs/dbraw/zinc/03/79/49/971037949.db2.gz CJABSDADKBBOBF-HTAVTVPLSA-N 1 2 238.306 2.072 20 30 BEEDLO N#CC1CCC([N@@H+]2CCC[C@@H](F)C(=O)C2)CC1 ZINC001256964814 971040033 /nfs/dbraw/zinc/04/00/33/971040033.db2.gz DGENAPPLYOKXAZ-HTAVTVPLSA-N 1 2 238.306 2.072 20 30 BEEDLO N#CC1CCC([N@H+]2CCC[C@@H](F)C(=O)C2)CC1 ZINC001256964814 971040046 /nfs/dbraw/zinc/04/00/46/971040046.db2.gz DGENAPPLYOKXAZ-HTAVTVPLSA-N 1 2 238.306 2.072 20 30 BEEDLO N#CC1CCC([N@@H+]2CCC(F)(F)C2)CC1 ZINC001256965765 971046306 /nfs/dbraw/zinc/04/63/06/971046306.db2.gz ZUWJPSWZQRYJCZ-UHFFFAOYSA-N 1 2 214.259 2.410 20 30 BEEDLO N#CC1CCC([N@H+]2CCC(F)(F)C2)CC1 ZINC001256965765 971046318 /nfs/dbraw/zinc/04/63/18/971046318.db2.gz ZUWJPSWZQRYJCZ-UHFFFAOYSA-N 1 2 214.259 2.410 20 30 BEEDLO CC1=CC[C@@H](CCN2CC[NH2+]C[C@H]2C#N)C1(C)C ZINC001210123112 1169518153 /nfs/dbraw/zinc/51/81/53/1169518153.db2.gz YUNNANLJPVHRMQ-UONOGXRCSA-N 1 2 247.386 2.166 20 30 BEEDLO N#C[C@@H]1C[NH2+]CCN1CCCC1CCCCC1 ZINC001210123060 1169518521 /nfs/dbraw/zinc/51/85/21/1169518521.db2.gz YELLCTLYVZXQAA-CQSZACIVSA-N 1 2 235.375 2.144 20 30 BEEDLO CC/C=C\CCCCCN1CC[NH2+]C[C@H]1C#N ZINC001210120933 1169518630 /nfs/dbraw/zinc/51/86/30/1169518630.db2.gz IHXFLLWZPOSANP-VQTKUKTRSA-N 1 2 235.375 2.310 20 30 BEEDLO CC(C)=CCC[C@@H](C)CN1CC[NH2+]C[C@@H]1C#N ZINC001210122427 1169519267 /nfs/dbraw/zinc/51/92/67/1169519267.db2.gz QMLFTOVOSAAUTF-KGLIPLIRSA-N 1 2 235.375 2.166 20 30 BEEDLO CC(C)=CCC[C@H](C)CN1CC[NH2+]C[C@@H]1C#N ZINC001210122410 1169519554 /nfs/dbraw/zinc/51/95/54/1169519554.db2.gz QMLFTOVOSAAUTF-KBPBESRZSA-N 1 2 235.375 2.166 20 30 BEEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CCC)C(=O)OCC ZINC001257309998 971202710 /nfs/dbraw/zinc/20/27/10/971202710.db2.gz OOCFHFKGZDDKPJ-DMDPSCGWSA-N 1 2 225.332 2.272 20 30 BEEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCCC1)C(=O)OCC ZINC001257346076 971259242 /nfs/dbraw/zinc/25/92/42/971259242.db2.gz JRFSQNIHNXEJKK-ZWNOBZJWSA-N 1 2 223.316 2.026 20 30 BEEDLO CCCC[C@@H](CC)[NH2+][C@@H](CS)C(=O)OCC ZINC001257409468 971302577 /nfs/dbraw/zinc/30/25/77/971302577.db2.gz JWBZAYPPIZTDHC-MNOVXSKESA-N 1 2 247.404 2.406 20 30 BEEDLO C#C[C@@](C)(CC)Nc1cc(COC)cc[nH+]1 ZINC001158738876 971424183 /nfs/dbraw/zinc/42/41/83/971424183.db2.gz XJUJPCIONGSPJD-ZDUSSCGKSA-N 1 2 218.300 2.442 20 30 BEEDLO CC[C@@](C)(C#N)[NH2+]C1CCC2(COC2)CC1 ZINC001257900399 971514583 /nfs/dbraw/zinc/51/45/83/971514583.db2.gz YIMRGIGSFMXBNC-LBPRGKRZSA-N 1 2 222.332 2.227 20 30 BEEDLO C#Cc1cccc(C[NH+]2CC3(C2)CCCCO3)c1 ZINC001231658371 1169678289 /nfs/dbraw/zinc/67/82/89/1169678289.db2.gz UUJVBNPVFIAMIW-UHFFFAOYSA-N 1 2 241.334 2.423 20 30 BEEDLO N#CCC[N@H+](Cc1ccnnc1)C1CCCC1 ZINC001139983594 957286583 /nfs/dbraw/zinc/28/65/83/957286583.db2.gz XUZZVZMJDALLKV-UHFFFAOYSA-N 1 2 230.315 2.135 20 30 BEEDLO N#CCC[N@@H+](Cc1ccnnc1)C1CCCC1 ZINC001139983594 957286595 /nfs/dbraw/zinc/28/65/95/957286595.db2.gz XUZZVZMJDALLKV-UHFFFAOYSA-N 1 2 230.315 2.135 20 30 BEEDLO C=CCc1cc(C)c[nH+]c1NC1CC(=O)C1 ZINC001167336306 957792962 /nfs/dbraw/zinc/79/29/62/957792962.db2.gz YCWYVORSCDZENQ-UHFFFAOYSA-N 1 2 216.284 2.262 20 30 BEEDLO COc1cc(Nc2cnccc2C#N)cc(C)[nH+]1 ZINC001210773792 957871331 /nfs/dbraw/zinc/87/13/31/957871331.db2.gz FPQQZTGTMGREOD-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO C#CCSCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001125473950 958162468 /nfs/dbraw/zinc/16/24/68/958162468.db2.gz PWHMLCRYRXLMSR-UHFFFAOYSA-N 1 2 248.351 2.312 20 30 BEEDLO C#CCC1([NH2+][C@H](CCCC)C(=O)OC)CCC1 ZINC000933300711 958347975 /nfs/dbraw/zinc/34/79/75/958347975.db2.gz CENANBXLBUCMRY-GFCCVEGCSA-N 1 2 237.343 2.254 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1ccc(OC)nc1 ZINC001137036552 972341195 /nfs/dbraw/zinc/34/11/95/972341195.db2.gz WKVBLYCKFMGFPV-UHFFFAOYSA-N 1 2 233.315 2.216 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1ccc(OC)nc1 ZINC001137036552 972341199 /nfs/dbraw/zinc/34/11/99/972341199.db2.gz WKVBLYCKFMGFPV-UHFFFAOYSA-N 1 2 233.315 2.216 20 30 BEEDLO N#Cc1ccccc1CNc1cc[nH+]cc1F ZINC001167635765 959156861 /nfs/dbraw/zinc/15/68/61/959156861.db2.gz QWYABSYYJYNFHS-UHFFFAOYSA-N 1 2 227.242 2.126 20 30 BEEDLO CCOCC[C@@H](C)[NH2+][C@](C)(C#N)C(C)C ZINC001172409651 974671209 /nfs/dbraw/zinc/67/12/09/974671209.db2.gz ANGWELHAMCLREQ-VXGBXAGGSA-N 1 2 212.337 2.329 20 30 BEEDLO C#CCNc1cc(C)[nH+]c(C(C)(C)C)n1 ZINC000309205337 959782115 /nfs/dbraw/zinc/78/21/15/959782115.db2.gz SAOZTHYGCAMZMC-UHFFFAOYSA-N 1 2 203.289 2.128 20 30 BEEDLO CC(C)(C)c1cn(C[C@H](O)CC2(C#N)CC2)c[nH+]1 ZINC001352084076 959800016 /nfs/dbraw/zinc/80/00/16/959800016.db2.gz LKCLKXQKTSHSNT-LLVKDONJSA-N 1 2 247.342 2.235 20 30 BEEDLO C=CCn1cc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001222396485 972457880 /nfs/dbraw/zinc/45/78/80/972457880.db2.gz ZZSLWDDZPZBQPW-UHFFFAOYSA-N 1 2 214.272 2.022 20 30 BEEDLO C=CC[N@H+](CCC(=C)C)CC(=O)OCC ZINC000160196044 959824181 /nfs/dbraw/zinc/82/41/81/959824181.db2.gz HMECDUKPVQQCOU-UHFFFAOYSA-N 1 2 211.305 2.004 20 30 BEEDLO C=CC[N@@H+](CCC(=C)C)CC(=O)OCC ZINC000160196044 959824176 /nfs/dbraw/zinc/82/41/76/959824176.db2.gz HMECDUKPVQQCOU-UHFFFAOYSA-N 1 2 211.305 2.004 20 30 BEEDLO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC000724860374 959826437 /nfs/dbraw/zinc/82/64/37/959826437.db2.gz WXXVYPLKDMKACV-RNJOBUHISA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC000724860374 959826441 /nfs/dbraw/zinc/82/64/41/959826441.db2.gz WXXVYPLKDMKACV-RNJOBUHISA-N 1 2 222.332 2.178 20 30 BEEDLO C=CC[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001144012474 972475878 /nfs/dbraw/zinc/47/58/78/972475878.db2.gz FKHVNKIMCJSPBT-JTQLQIEISA-N 1 2 229.283 2.485 20 30 BEEDLO C=CC[C@H](C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001144017360 972483558 /nfs/dbraw/zinc/48/35/58/972483558.db2.gz KRTPGHMLBKZFOX-RYUDHWBXSA-N 1 2 247.342 2.328 20 30 BEEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cnco1)C2 ZINC001140928670 960702628 /nfs/dbraw/zinc/70/26/28/960702628.db2.gz QMBHSVJIEFMYPY-UHFFFAOYSA-N 1 2 239.278 2.105 20 30 BEEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cnco1)C2 ZINC001140928670 960702643 /nfs/dbraw/zinc/70/26/43/960702643.db2.gz QMBHSVJIEFMYPY-UHFFFAOYSA-N 1 2 239.278 2.105 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1ccn2ccnc2c1 ZINC001141044267 960828488 /nfs/dbraw/zinc/82/84/88/960828488.db2.gz DKYYONXZZWAAAT-UHFFFAOYSA-N 1 2 242.326 2.460 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1ccn2ccnc2c1 ZINC001141044267 960828495 /nfs/dbraw/zinc/82/84/95/960828495.db2.gz DKYYONXZZWAAAT-UHFFFAOYSA-N 1 2 242.326 2.460 20 30 BEEDLO CCCCc1[nH]c(CN2CC(C)(C#N)C2)c[nH+]1 ZINC001141067925 960861979 /nfs/dbraw/zinc/86/19/79/960861979.db2.gz RWSAVOGFIHZJIQ-UHFFFAOYSA-N 1 2 232.331 2.098 20 30 BEEDLO CCCCc1[nH]cc(CN2CC(C)(C#N)C2)[nH+]1 ZINC001141067925 960861983 /nfs/dbraw/zinc/86/19/83/960861983.db2.gz RWSAVOGFIHZJIQ-UHFFFAOYSA-N 1 2 232.331 2.098 20 30 BEEDLO C=C(CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001142211094 961352418 /nfs/dbraw/zinc/35/24/18/961352418.db2.gz HZKFDTMUZCUJSX-UHFFFAOYSA-N 1 2 229.283 2.259 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142696486 961635997 /nfs/dbraw/zinc/63/59/97/961635997.db2.gz NHMRBVAPSXJMMF-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142696486 961636007 /nfs/dbraw/zinc/63/60/07/961636007.db2.gz NHMRBVAPSXJMMF-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(OCC)c(F)c1F ZINC001143276210 961986961 /nfs/dbraw/zinc/98/69/61/961986961.db2.gz IZZYRPXPZLRLCN-UHFFFAOYSA-N 1 2 239.265 2.429 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(OCC)c(F)c1F ZINC001143276210 961986970 /nfs/dbraw/zinc/98/69/70/961986970.db2.gz IZZYRPXPZLRLCN-UHFFFAOYSA-N 1 2 239.265 2.429 20 30 BEEDLO CSCCCNc1[nH+]cc(C)cc1/C=N/O ZINC001155980291 963221062 /nfs/dbraw/zinc/22/10/62/963221062.db2.gz WZAHUKPNTLTDSF-RIYZIHGNSA-N 1 2 239.344 2.363 20 30 BEEDLO Cn1c[nH+]cc1CN(CCC#N)C1CCCC1 ZINC001204384351 963536634 /nfs/dbraw/zinc/53/66/34/963536634.db2.gz VKRQUUKPORZEBG-UHFFFAOYSA-N 1 2 232.331 2.078 20 30 BEEDLO C=C(C)C(=O)OCCNc1c[nH+]c(C)c(C)c1 ZINC001168071893 963603202 /nfs/dbraw/zinc/60/32/02/963603202.db2.gz HUNXEUHALOSLCQ-UHFFFAOYSA-N 1 2 234.299 2.230 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168073304 963605579 /nfs/dbraw/zinc/60/55/79/963605579.db2.gz BMQGJHYYUTWLBI-UTUOFQBUSA-N 1 2 210.321 2.082 20 30 BEEDLO CCCNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001168132609 963822600 /nfs/dbraw/zinc/82/26/00/963822600.db2.gz UFLGJVSHVHNSLE-UHFFFAOYSA-N 1 2 201.273 2.459 20 30 BEEDLO C[C@H](Nc1cc(CC#N)cc[nH+]1)c1cnccn1 ZINC001158596910 963892664 /nfs/dbraw/zinc/89/26/64/963892664.db2.gz NUVCFBAMVNLYLF-JTQLQIEISA-N 1 2 239.282 2.111 20 30 BEEDLO N#CCc1ccc[nH+]c1NCCOC(F)(F)F ZINC001168168130 963895629 /nfs/dbraw/zinc/89/56/29/963895629.db2.gz YBHXPMNZEDSPAZ-UHFFFAOYSA-N 1 2 245.204 2.096 20 30 BEEDLO C#Cc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)cc1 ZINC001158766948 963921720 /nfs/dbraw/zinc/92/17/20/963921720.db2.gz AUAZTDVUZRAOCX-NSHDSACASA-N 1 2 239.278 2.064 20 30 BEEDLO Nc1cc(Cl)[nH+]c(NCCCS)c1 ZINC001159869702 964215193 /nfs/dbraw/zinc/21/51/93/964215193.db2.gz BIHUIDGZIDYLTP-UHFFFAOYSA-N 1 2 217.725 2.049 20 30 BEEDLO C=CCc1cc(C)c[nH+]c1NCc1cnn(C)c1 ZINC001161851241 964790810 /nfs/dbraw/zinc/79/08/10/964790810.db2.gz SHZUCQOCRZGVPU-UHFFFAOYSA-N 1 2 242.326 2.464 20 30 BEEDLO C=CCc1cc(C)c[nH+]c1NCc1ccnn1C ZINC001161870759 964802912 /nfs/dbraw/zinc/80/29/12/964802912.db2.gz GPKJUDMFXDSUJV-UHFFFAOYSA-N 1 2 242.326 2.464 20 30 BEEDLO N#CCc1ccc[nH+]c1NC1CC(F)C1 ZINC001162207584 964860533 /nfs/dbraw/zinc/86/05/33/964860533.db2.gz JFAJXTXTYPPZQK-UHFFFAOYSA-N 1 2 205.236 2.060 20 30 BEEDLO C#CCCCNc1ccc([C@@H](C)C(=O)OC)c[nH+]1 ZINC001162445531 964980246 /nfs/dbraw/zinc/98/02/46/964980246.db2.gz KCNPOCCWYWJWAQ-LLVKDONJSA-N 1 2 246.310 2.183 20 30 BEEDLO N#CC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000057879010 965198649 /nfs/dbraw/zinc/19/86/49/965198649.db2.gz FWFNKVADRHZBEO-UHFFFAOYSA-N 1 2 235.718 2.471 20 30 BEEDLO C#CCNc1ccc2c(cccc2OC)[nH+]1 ZINC001163363369 965364963 /nfs/dbraw/zinc/36/49/63/965364963.db2.gz KYDXCXJMSNVBTQ-UHFFFAOYSA-N 1 2 212.252 2.289 20 30 BEEDLO C#CCCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000172779635 965397150 /nfs/dbraw/zinc/39/71/50/965397150.db2.gz RUZMRGDSCRIOSJ-UHFFFAOYSA-N 1 2 244.342 2.292 20 30 BEEDLO C#CCCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000172779635 965397163 /nfs/dbraw/zinc/39/71/63/965397163.db2.gz RUZMRGDSCRIOSJ-UHFFFAOYSA-N 1 2 244.342 2.292 20 30 BEEDLO CCCOC1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233043142 965459244 /nfs/dbraw/zinc/45/92/44/965459244.db2.gz ABMQNLKHDYKULM-UHFFFAOYSA-N 1 2 247.342 2.277 20 30 BEEDLO C=CCc1cc(C)c[nH+]c1NCc1nonc1C ZINC001164054659 965718472 /nfs/dbraw/zinc/71/84/72/965718472.db2.gz QIBHUJPTTNPIAO-UHFFFAOYSA-N 1 2 244.298 2.422 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC001203521132 966670477 /nfs/dbraw/zinc/67/04/77/966670477.db2.gz DVMLICNKKNYHGV-LLVKDONJSA-N 1 2 232.331 2.075 20 30 BEEDLO CNc1ccc(Nc2ccc(C#N)cc2O)c[nH+]1 ZINC001203460873 966982949 /nfs/dbraw/zinc/98/29/49/966982949.db2.gz XXRWUQUDRIJBEL-UHFFFAOYSA-N 1 2 240.266 2.444 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2nccs2)CC1 ZINC001204548112 967049618 /nfs/dbraw/zinc/04/96/18/967049618.db2.gz YBBRDKVNDVJYBI-SNVBAGLBSA-N 1 2 221.329 2.269 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2nccs2)CC1 ZINC001204548112 967049630 /nfs/dbraw/zinc/04/96/30/967049630.db2.gz YBBRDKVNDVJYBI-SNVBAGLBSA-N 1 2 221.329 2.269 20 30 BEEDLO N#Cc1ncccc1Nc1ccn2cc[nH+]c2c1 ZINC001204951081 967251645 /nfs/dbraw/zinc/25/16/45/967251645.db2.gz MZRHTBRWRVNUKO-UHFFFAOYSA-N 1 2 235.250 2.345 20 30 BEEDLO C=CCN1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC001205227868 967431258 /nfs/dbraw/zinc/43/12/58/967431258.db2.gz OCAXMNPDVCNBPH-UHFFFAOYSA-N 1 2 248.345 2.438 20 30 BEEDLO COc1cccc(CCn2cc[nH+]c2)c1C#N ZINC001250318354 967690986 /nfs/dbraw/zinc/69/09/86/967690986.db2.gz DOQVOTMSJMNKIY-UHFFFAOYSA-N 1 2 227.267 2.006 20 30 BEEDLO CCCn1c[nH+]cc1CN(C)CC(C)(C)C#N ZINC001205960448 967907987 /nfs/dbraw/zinc/90/79/87/967907987.db2.gz QIBCUARWWUKJBV-UHFFFAOYSA-N 1 2 234.347 2.275 20 30 BEEDLO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)co1 ZINC001206074158 968044526 /nfs/dbraw/zinc/04/45/26/968044526.db2.gz NRSDFFHNLLFCSW-UOJUARBOSA-N 1 2 231.299 2.250 20 30 BEEDLO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)co1 ZINC001206074158 968044545 /nfs/dbraw/zinc/04/45/45/968044545.db2.gz NRSDFFHNLLFCSW-UOJUARBOSA-N 1 2 231.299 2.250 20 30 BEEDLO CC[C@H]([NH2+][C@H](C)CCO)c1cccc(C#N)c1O ZINC000822658674 968528746 /nfs/dbraw/zinc/52/87/46/968528746.db2.gz NYUNEOVEGDPUAZ-MFKMUULPSA-N 1 2 248.326 2.075 20 30 BEEDLO CC[C@@H]([NH2+][C@H](C)CCO)c1cccc(C#N)c1O ZINC000822658675 968530236 /nfs/dbraw/zinc/53/02/36/968530236.db2.gz NYUNEOVEGDPUAZ-ZWNOBZJWSA-N 1 2 248.326 2.075 20 30 BEEDLO C=C[C@](C)(O)CNc1ccc(C)[nH+]c1C ZINC001252538114 968769598 /nfs/dbraw/zinc/76/95/98/968769598.db2.gz BSJQVOAYZBCLBV-LBPRGKRZSA-N 1 2 206.289 2.047 20 30 BEEDLO C=C[C@](C)(O)CNc1ccccc1-n1cc[nH+]c1 ZINC001252539058 968772774 /nfs/dbraw/zinc/77/27/74/968772774.db2.gz PAKGFLCXYJOZHM-AWEZNQCLSA-N 1 2 243.310 2.221 20 30 BEEDLO C=CCC[C@@H](O)CNc1cccc2[nH+]c(C)cn21 ZINC001252587856 968842097 /nfs/dbraw/zinc/84/20/97/968842097.db2.gz XTHFCYQCFRQXSX-GFCCVEGCSA-N 1 2 245.326 2.382 20 30 BEEDLO C=CCC[C@@H](O)CNc1cc[nH+]c(OCC)c1 ZINC001252591695 968848476 /nfs/dbraw/zinc/84/84/76/968848476.db2.gz ZQOPNUDHYCWCII-GFCCVEGCSA-N 1 2 236.315 2.219 20 30 BEEDLO N#CCC1C[NH+](CCc2c(F)cccc2F)C1 ZINC001208115284 969008140 /nfs/dbraw/zinc/00/81/40/969008140.db2.gz JIDXGEQFCQHYIV-UHFFFAOYSA-N 1 2 236.265 2.353 20 30 BEEDLO C#Cc1cc(Nc2cncc(CC)c2)cc[nH+]1 ZINC001209165752 969368589 /nfs/dbraw/zinc/36/85/89/969368589.db2.gz PKMNFPZTFFJABG-UHFFFAOYSA-N 1 2 223.279 2.186 20 30 BEEDLO COC1CCC(C[N@H+](C)[C@H](C)C#N)CC1 ZINC001209401623 969466134 /nfs/dbraw/zinc/46/61/34/969466134.db2.gz VQXAQQZOIUWUEI-VOMCLLRMSA-N 1 2 210.321 2.035 20 30 BEEDLO COC1CCC(C[N@@H+](C)[C@H](C)C#N)CC1 ZINC001209401623 969466136 /nfs/dbraw/zinc/46/61/36/969466136.db2.gz VQXAQQZOIUWUEI-VOMCLLRMSA-N 1 2 210.321 2.035 20 30 BEEDLO CCC(CC)([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC ZINC001254655308 969764787 /nfs/dbraw/zinc/76/47/87/969764787.db2.gz ZZCPMIADJSFPRN-WDEREUQCSA-N 1 2 238.331 2.000 20 30 BEEDLO CCC[C@@H](C)CCC[NH+]1CC(O)(CC#N)C1 ZINC001169629244 969790333 /nfs/dbraw/zinc/79/03/33/969790333.db2.gz PAASQKZNXPWMCZ-GFCCVEGCSA-N 1 2 224.348 2.163 20 30 BEEDLO N#CC1([NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CCCC1 ZINC001254924622 969823863 /nfs/dbraw/zinc/82/38/63/969823863.db2.gz MRLYUKUPFHUEIQ-GDNZZTSVSA-N 1 2 232.327 2.170 20 30 BEEDLO C=CCC[C@@H](CC)OCC[NH+]1CCOCC1 ZINC001210225278 969838326 /nfs/dbraw/zinc/83/83/26/969838326.db2.gz PXEJUHVHNFHAKK-CYBMUJFWSA-N 1 2 227.348 2.080 20 30 BEEDLO C#Cc1cc(Nc2ccc(C)c(CO)c2)cc[nH+]1 ZINC001210244403 969840264 /nfs/dbraw/zinc/84/02/64/969840264.db2.gz FUTSKHXLALLYKA-UHFFFAOYSA-N 1 2 238.290 2.029 20 30 BEEDLO C=C[C@@H](CO)Nc1cc2cc(F)ccc2c[nH+]1 ZINC001169779420 969852079 /nfs/dbraw/zinc/85/20/79/969852079.db2.gz JRQVFJVIAMRCAS-LBPRGKRZSA-N 1 2 232.258 2.333 20 30 BEEDLO CC(C)C[C@](C)(C#N)[NH2+]C1CCOCC1 ZINC001255037123 969858610 /nfs/dbraw/zinc/85/86/10/969858610.db2.gz RXKGANHCVMFDHW-GFCCVEGCSA-N 1 2 210.321 2.083 20 30 BEEDLO Cc1[nH+]cc(Nc2ccc(C#N)cc2C#N)cc1N ZINC001210294089 969859026 /nfs/dbraw/zinc/85/90/26/969859026.db2.gz RVJDNAZGMOYUEF-UHFFFAOYSA-N 1 2 249.277 2.459 20 30 BEEDLO N#CCc1ccc(NCCc2cncs2)[nH+]c1 ZINC001169861419 969875625 /nfs/dbraw/zinc/87/56/25/969875625.db2.gz UODAMLHXRDFDKQ-UHFFFAOYSA-N 1 2 244.323 2.259 20 30 BEEDLO N#CCc1ccc[nH+]c1NCCc1cncs1 ZINC001169861408 969875946 /nfs/dbraw/zinc/87/59/46/969875946.db2.gz UFOJVGCOAYZSMI-UHFFFAOYSA-N 1 2 244.323 2.259 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]CC1(C#N)CCCC1 ZINC001255152241 969956515 /nfs/dbraw/zinc/95/65/15/969956515.db2.gz PANCQAWLYDZRBM-NSHDSACASA-N 1 2 205.305 2.352 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@@H](CO)c1ccc(OC)cc1 ZINC001255156331 969965915 /nfs/dbraw/zinc/96/59/15/969965915.db2.gz ZXYPANOAMBJBDV-JSGCOSHPSA-N 1 2 248.326 2.010 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cncn1CC1CC1 ZINC001255162232 969970709 /nfs/dbraw/zinc/97/07/09/969970709.db2.gz KTDAJCCYPKIOPN-LBPRGKRZSA-N 1 2 232.331 2.075 20 30 BEEDLO CC[C@@H](CC#N)[NH+]1CCC(c2noc(C)n2)CC1 ZINC001255174271 969988753 /nfs/dbraw/zinc/98/87/53/969988753.db2.gz VNZUDZYQDFMLQX-LBPRGKRZSA-N 1 2 248.330 2.250 20 30 BEEDLO C#Cc1cc(Nc2cnccc2Cl)cc[nH+]1 ZINC001211207906 970169133 /nfs/dbraw/zinc/16/91/33/970169133.db2.gz FUGCKCPHKKIAHM-UHFFFAOYSA-N 1 2 229.670 2.277 20 30 BEEDLO CC[C@](C)(C#N)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255528754 970290171 /nfs/dbraw/zinc/29/01/71/970290171.db2.gz RWGGZBSUHTZSNA-ZYHUDNBSSA-N 1 2 210.321 2.226 20 30 BEEDLO Cc1ccc(O)c(Nc2ccc(N)c(C#N)c2)[nH+]1 ZINC001213429759 970317563 /nfs/dbraw/zinc/31/75/63/970317563.db2.gz WYWWDEKZYVFYSK-UHFFFAOYSA-N 1 2 240.266 2.293 20 30 BEEDLO Cc1c[nH+]cc(Nc2cnc(C#N)nc2)c1C ZINC001213525104 970346388 /nfs/dbraw/zinc/34/63/88/970346388.db2.gz NNTWQPLBABBEFU-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO Cc1c[nH+]cc(Nc2cnn(C)c2C#N)c1C ZINC001213527458 970347164 /nfs/dbraw/zinc/34/71/64/970347164.db2.gz LXMUVNFKALBMEI-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO Cc1c[nH+]cc(Nc2c(C#N)ncn2C)c1C ZINC001213527519 970349625 /nfs/dbraw/zinc/34/96/25/970349625.db2.gz QJMIUDDMBHYAFH-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO Cc1[nH+]c(N(C)[C@H](C)C#N)cc2[nH]ccc21 ZINC001157491043 970383868 /nfs/dbraw/zinc/38/38/68/970383868.db2.gz QZAIJMBXWRLGGP-MRVPVSSYSA-N 1 2 214.272 2.220 20 30 BEEDLO Cc1ccc(C)c(Nc2ccncc2C#N)[nH+]1 ZINC001214007302 970411990 /nfs/dbraw/zinc/41/19/90/970411990.db2.gz YECNDOPHEDEJPU-UHFFFAOYSA-N 1 2 224.267 2.131 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCCCCC1 ZINC001255877598 970538529 /nfs/dbraw/zinc/53/85/29/970538529.db2.gz GIAFMEVMBFMEPJ-NSHDSACASA-N 1 2 245.388 2.160 20 30 BEEDLO C=CCCCNc1ccc(CC(=O)OC)c[nH+]1 ZINC001170296155 970669186 /nfs/dbraw/zinc/66/91/86/970669186.db2.gz BEITUPPQAGPXCF-UHFFFAOYSA-N 1 2 234.299 2.175 20 30 BEEDLO N#Cc1ccc(C[NH+]2CCC(F)(F)CC2)nc1 ZINC001144150147 972631416 /nfs/dbraw/zinc/63/14/16/972631416.db2.gz VYZMIOSUDWKVMB-UHFFFAOYSA-N 1 2 237.253 2.184 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](F)C2)nc1 ZINC001144154063 972633373 /nfs/dbraw/zinc/63/33/73/972633373.db2.gz XZWCBXXAFMDGNJ-LBPRGKRZSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](F)C2)nc1 ZINC001144154063 972633381 /nfs/dbraw/zinc/63/33/81/972633381.db2.gz XZWCBXXAFMDGNJ-LBPRGKRZSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](F)C2)nc1 ZINC001144154062 972635642 /nfs/dbraw/zinc/63/56/42/972635642.db2.gz XZWCBXXAFMDGNJ-GFCCVEGCSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)nc1 ZINC001144154062 972635648 /nfs/dbraw/zinc/63/56/48/972635648.db2.gz XZWCBXXAFMDGNJ-GFCCVEGCSA-N 1 2 233.290 2.277 20 30 BEEDLO Cc1cc(CO[C@H]2C=CC(=O)C2)cc(C)[nH+]1 ZINC001223425027 973068239 /nfs/dbraw/zinc/06/82/39/973068239.db2.gz PHMDCLBJHDWZEV-ZDUSSCGKSA-N 1 2 217.268 2.113 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC001173264151 975122043 /nfs/dbraw/zinc/12/20/43/975122043.db2.gz LXZAXVUREBCOEE-MXWKQRLJSA-N 1 2 245.388 2.016 20 30 BEEDLO CC[C@@H](C#N)[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173442142 975376316 /nfs/dbraw/zinc/37/63/16/975376316.db2.gz GYUALSZYKLXGID-QWRGUYRKSA-N 1 2 226.320 2.000 20 30 BEEDLO Cc1[nH]c2ccc(O[C@H]3C=CC(=O)C3)cc2[nH+]1 ZINC001228329930 976127510 /nfs/dbraw/zinc/12/75/10/976127510.db2.gz SGHDJMXAVLHDSD-JTQLQIEISA-N 1 2 228.251 2.148 20 30 BEEDLO C#Cc1cc(Nc2ccc3c(c2)CCO3)cc[nH+]1 ZINC001174009122 976176221 /nfs/dbraw/zinc/17/62/21/976176221.db2.gz RMWNLKRCGGTSID-UHFFFAOYSA-N 1 2 236.274 2.163 20 30 BEEDLO C#Cc1cc(Nc2cccnc2OCC)cc[nH+]1 ZINC001174456235 976737889 /nfs/dbraw/zinc/73/78/89/976737889.db2.gz MFZTVKGUOGUTCI-UHFFFAOYSA-N 1 2 239.278 2.022 20 30 BEEDLO C=C(C)Nc1cc[nH+]c2ccc(OC)nc12 ZINC001174788146 977025508 /nfs/dbraw/zinc/02/55/08/977025508.db2.gz UQIHCUDBSPHATK-UHFFFAOYSA-N 1 2 215.256 2.006 20 30 BEEDLO C#C[C@H](Oc1cc2c(cc1O)C=[NH+]CC2)C(C)C ZINC001230922052 977385494 /nfs/dbraw/zinc/38/54/94/977385494.db2.gz YNBQJPKBEZLUFA-AWEZNQCLSA-N 1 2 243.306 2.404 20 30 BEEDLO C#Cc1cc(Nc2cnc3cccnc3c2)cc[nH+]1 ZINC001175353815 977393126 /nfs/dbraw/zinc/39/31/26/977393126.db2.gz LTWPJEZDMHAIJK-UHFFFAOYSA-N 1 2 246.273 2.172 20 30 BEEDLO C#C[C@H](C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231082458 977473274 /nfs/dbraw/zinc/47/32/74/977473274.db2.gz PQWUTIHMALYRPY-NSHDSACASA-N 1 2 226.279 2.488 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(F)c(C)c1F ZINC001231477389 977604077 /nfs/dbraw/zinc/60/40/77/977604077.db2.gz JKBIRKZPYNAARZ-UHFFFAOYSA-N 1 2 209.239 2.338 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(F)c(C)c1F ZINC001231477389 977604083 /nfs/dbraw/zinc/60/40/83/977604083.db2.gz JKBIRKZPYNAARZ-UHFFFAOYSA-N 1 2 209.239 2.338 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1nc(C)ccc1O ZINC001231673634 977683141 /nfs/dbraw/zinc/68/31/41/977683141.db2.gz MGWNCIGQPIFHOV-UHFFFAOYSA-N 1 2 233.315 2.221 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1nc(C)ccc1O ZINC001231673634 977683150 /nfs/dbraw/zinc/68/31/50/977683150.db2.gz MGWNCIGQPIFHOV-UHFFFAOYSA-N 1 2 233.315 2.221 20 30 BEEDLO C=CCN1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC001232084679 977886066 /nfs/dbraw/zinc/88/60/66/977886066.db2.gz UUGDHEARYAVPKW-UHFFFAOYSA-N 1 2 245.370 2.002 20 30 BEEDLO Cc1nnn([NH+]=C[C@H]2CC[C@H](C)C2)c1C ZINC001336980845 978104891 /nfs/dbraw/zinc/10/48/91/978104891.db2.gz IEAAHMGUXPSVCL-KWQFWETISA-N 1 2 206.293 2.165 20 30 BEEDLO C[C@@]1(F)CCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232478111 978126461 /nfs/dbraw/zinc/12/64/61/978126461.db2.gz STCSAVKJHNGYFR-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@@]1(F)CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001232478111 978126463 /nfs/dbraw/zinc/12/64/63/978126463.db2.gz STCSAVKJHNGYFR-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO C=CCN1CC[NH+](Cc2c(C)cccc2F)CC1 ZINC001232489166 978140529 /nfs/dbraw/zinc/14/05/29/978140529.db2.gz ZHMWICHBOXARSG-UHFFFAOYSA-N 1 2 248.345 2.438 20 30 BEEDLO N#CCC1C[NH+](Cc2cc3ccoc3cn2)C1 ZINC001232550322 978175424 /nfs/dbraw/zinc/17/54/24/978175424.db2.gz TVZQYCDMSHUFKF-UHFFFAOYSA-N 1 2 227.267 2.173 20 30 BEEDLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673818 978235148 /nfs/dbraw/zinc/23/51/48/978235148.db2.gz OAPRZRJDUYLUOB-GWCFXTLKSA-N 1 2 248.301 2.444 20 30 BEEDLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232673818 978235158 /nfs/dbraw/zinc/23/51/58/978235158.db2.gz OAPRZRJDUYLUOB-GWCFXTLKSA-N 1 2 248.301 2.444 20 30 BEEDLO C#CC1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232678370 978240095 /nfs/dbraw/zinc/24/00/95/978240095.db2.gz WUVNERMEXGAQTL-UHFFFAOYSA-N 1 2 240.306 2.109 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccnc(Cl)c1C ZINC001232755284 978261990 /nfs/dbraw/zinc/26/19/90/978261990.db2.gz QDKWOWAJADNEBS-UHFFFAOYSA-N 1 2 232.714 2.112 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(C)c(F)cc1F ZINC001232781878 978279686 /nfs/dbraw/zinc/27/96/86/978279686.db2.gz BJKACHVYQPJLLW-UHFFFAOYSA-N 1 2 209.239 2.338 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(C)c(F)cc1F ZINC001232781878 978279699 /nfs/dbraw/zinc/27/96/99/978279699.db2.gz BJKACHVYQPJLLW-UHFFFAOYSA-N 1 2 209.239 2.338 20 30 BEEDLO C=CCC[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001337489608 978370897 /nfs/dbraw/zinc/37/08/97/978370897.db2.gz WWWKHEOMQONXCI-ZDUSSCGKSA-N 1 2 247.342 2.300 20 30 BEEDLO C=CCC[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001337489608 978370903 /nfs/dbraw/zinc/37/09/03/978370903.db2.gz WWWKHEOMQONXCI-ZDUSSCGKSA-N 1 2 247.342 2.300 20 30 BEEDLO C=C(CC)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001597811412 978376353 /nfs/dbraw/zinc/37/63/53/978376353.db2.gz FIZMFVMLAYVBBX-UHFFFAOYSA-N 1 2 221.304 2.116 20 30 BEEDLO C=C(CC)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001597811412 978376366 /nfs/dbraw/zinc/37/63/66/978376366.db2.gz FIZMFVMLAYVBBX-UHFFFAOYSA-N 1 2 221.304 2.116 20 30 BEEDLO Cc1ncc(F)cc1C[NH+]1CCC(C#N)CC1 ZINC001232986602 978388511 /nfs/dbraw/zinc/38/85/11/978388511.db2.gz KOVNBYUQFOQJSP-UHFFFAOYSA-N 1 2 233.290 2.265 20 30 BEEDLO C=CCN1CC[NH+](Cc2cnc(C)cc2C)CC1 ZINC001233005493 978391644 /nfs/dbraw/zinc/39/16/44/978391644.db2.gz IBKBAJILEXTISZ-UHFFFAOYSA-N 1 2 245.370 2.002 20 30 BEEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001233046451 978432046 /nfs/dbraw/zinc/43/20/46/978432046.db2.gz ACWKANRWGSLWJY-LLVKDONJSA-N 1 2 228.299 2.012 20 30 BEEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001233046451 978432051 /nfs/dbraw/zinc/43/20/51/978432051.db2.gz ACWKANRWGSLWJY-LLVKDONJSA-N 1 2 228.299 2.012 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc3c2CCO3)C1 ZINC001233276925 978525711 /nfs/dbraw/zinc/52/57/11/978525711.db2.gz GTZRICOCMNZADQ-LBPRGKRZSA-N 1 2 242.322 2.357 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc3c2CCO3)C1 ZINC001233276925 978525722 /nfs/dbraw/zinc/52/57/22/978525722.db2.gz GTZRICOCMNZADQ-LBPRGKRZSA-N 1 2 242.322 2.357 20 30 BEEDLO C#CC[C@@H]1CCN(c2ccc(CC)c[nH+]2)C1 ZINC001338085161 978609614 /nfs/dbraw/zinc/60/96/14/978609614.db2.gz VIOINAWJAQSYLP-CYBMUJFWSA-N 1 2 214.312 2.494 20 30 BEEDLO CCn1ccc(C[NH2+]Cc2ccc(C#N)s2)n1 ZINC001178982783 978659230 /nfs/dbraw/zinc/65/92/30/978659230.db2.gz ZKVKYEAPRPFKBJ-UHFFFAOYSA-N 1 2 246.339 2.126 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(C(F)F)nc1 ZINC001179479539 978709842 /nfs/dbraw/zinc/70/98/42/978709842.db2.gz OSORBCDIAHKDCW-QMMMGPOBSA-N 1 2 225.242 2.411 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccnn1CC1CCC1 ZINC001179479544 978709855 /nfs/dbraw/zinc/70/98/55/978709855.db2.gz OXBSJEFRJUVVMI-NSHDSACASA-N 1 2 232.331 2.075 20 30 BEEDLO Cc1ccc2ncc(C[NH2+][C@@H](C)CC#N)n2c1 ZINC001179479097 978709874 /nfs/dbraw/zinc/70/98/74/978709874.db2.gz IQXAWSNHLXZGCS-NSHDSACASA-N 1 2 228.299 2.035 20 30 BEEDLO CC[NH+]1CC(Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233921673 978729815 /nfs/dbraw/zinc/72/98/15/978729815.db2.gz SOXWNKYNFGHONG-UHFFFAOYSA-N 1 2 236.702 2.295 20 30 BEEDLO CCOC(=[NH2+])c1ccc(O[C@@H]2C=CC(=O)C2)cc1 ZINC001234589271 978864853 /nfs/dbraw/zinc/86/48/53/978864853.db2.gz ZAEAEEOAPDDSOS-CYBMUJFWSA-N 1 2 245.278 2.325 20 30 BEEDLO C#CC(C#C)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234589814 978865556 /nfs/dbraw/zinc/86/55/56/978865556.db2.gz MQUMHEDOTLVEKR-UHFFFAOYSA-N 1 2 227.263 2.062 20 30 BEEDLO C[C@H](CC[N@@H+]1CCN[C@H](C#N)C1)CC(C)(C)C ZINC001235914639 979200148 /nfs/dbraw/zinc/20/01/48/979200148.db2.gz WZQRZJUQQMBIOR-CHWSQXEVSA-N 1 2 237.391 2.246 20 30 BEEDLO C[C@H](CC[N@H+]1CCN[C@H](C#N)C1)CC(C)(C)C ZINC001235914639 979200160 /nfs/dbraw/zinc/20/01/60/979200160.db2.gz WZQRZJUQQMBIOR-CHWSQXEVSA-N 1 2 237.391 2.246 20 30 BEEDLO CCCn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC001183002060 979694301 /nfs/dbraw/zinc/69/43/01/979694301.db2.gz WRNWNGVYIPBZCX-AWEZNQCLSA-N 1 2 246.358 2.337 20 30 BEEDLO CCCn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC001183002060 979694306 /nfs/dbraw/zinc/69/43/06/979694306.db2.gz WRNWNGVYIPBZCX-AWEZNQCLSA-N 1 2 246.358 2.337 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccn3nccc3c2)C1 ZINC001237546993 979935703 /nfs/dbraw/zinc/93/57/03/979935703.db2.gz QPTISQXGSMZGTJ-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccn3nccc3c2)C1 ZINC001237546993 979935709 /nfs/dbraw/zinc/93/57/09/979935709.db2.gz QPTISQXGSMZGTJ-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO C=CCC1(O)C[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC001184338228 980043479 /nfs/dbraw/zinc/04/34/79/980043479.db2.gz KYSGNNUWFPAQJM-UHFFFAOYSA-N 1 2 242.322 2.291 20 30 BEEDLO Cc1ccc(O)cc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001238107628 980157249 /nfs/dbraw/zinc/15/72/49/980157249.db2.gz VAYKIBKXHRFJTL-LBPRGKRZSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1ccc(O)cc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001238107628 980157253 /nfs/dbraw/zinc/15/72/53/980157253.db2.gz VAYKIBKXHRFJTL-LBPRGKRZSA-N 1 2 230.311 2.436 20 30 BEEDLO Cn1c[nH+]cc1CNc1cc(F)ccc1C#N ZINC001187380529 980516972 /nfs/dbraw/zinc/51/69/72/980516972.db2.gz RHZKAVDFLFBMJI-UHFFFAOYSA-N 1 2 230.246 2.043 20 30 BEEDLO C[C@@H](CC(=O)O[C@@H](CC#N)C1CC1)n1cc[nH+]c1 ZINC001346708128 980889117 /nfs/dbraw/zinc/88/91/17/980889117.db2.gz YTUALYZCZMGZRC-JQWIXIFHSA-N 1 2 247.298 2.070 20 30 BEEDLO N#Cc1ccc(-c2cc[nH+]c(N)c2)cc1F ZINC001240151666 981149882 /nfs/dbraw/zinc/14/98/82/981149882.db2.gz DTCPGEFMGKFQKV-UHFFFAOYSA-N 1 2 213.215 2.342 20 30 BEEDLO N#CCc1ncccc1-c1ccc2[nH+]ccn2c1 ZINC001240218941 981170777 /nfs/dbraw/zinc/17/07/77/981170777.db2.gz QOOCRFVYLOOSQK-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO C=CC(C)(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001584329769 981865772 /nfs/dbraw/zinc/86/57/72/981865772.db2.gz HKGWYSGPSRIHRL-UHFFFAOYSA-N 1 2 229.283 2.485 20 30 BEEDLO Cc1cc(N(C)C)[nH+]cc1-c1cccc(C#N)n1 ZINC001241228871 982382077 /nfs/dbraw/zinc/38/20/77/982382077.db2.gz VAMGDRBHOOSZSU-UHFFFAOYSA-N 1 2 238.294 2.390 20 30 BEEDLO N#Cc1cc2c(ccn2-c2ccc(N)[nH+]c2)c(N)c1 ZINC001201285254 983160633 /nfs/dbraw/zinc/16/06/33/983160633.db2.gz FHVMUIUNEFNSLU-UHFFFAOYSA-N 1 2 249.277 2.062 20 30 BEEDLO N#Cc1cccc(Nc2ccc(N)[nH+]c2)c1F ZINC001201287024 983164835 /nfs/dbraw/zinc/16/48/35/983164835.db2.gz OTEOFFIKJYRMTG-UHFFFAOYSA-N 1 2 228.230 2.418 20 30 BEEDLO N#Cc1cn(-c2ccc(N)[nH+]c2)c2ccc(N)cc12 ZINC001201291168 983169413 /nfs/dbraw/zinc/16/94/13/983169413.db2.gz DAGCPSAZFCKSMY-UHFFFAOYSA-N 1 2 249.277 2.062 20 30 BEEDLO COc1ccc(-c2[nH]cc[nH+]2)cc1CC#N ZINC001242016216 983216028 /nfs/dbraw/zinc/21/60/28/983216028.db2.gz WWZDHMKJENZNNY-UHFFFAOYSA-N 1 2 213.240 2.151 20 30 BEEDLO CC(C)(C)C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001201433452 983238922 /nfs/dbraw/zinc/23/89/22/983238922.db2.gz ZQRLOYTVBPDJQE-SNVBAGLBSA-N 1 2 225.357 2.307 20 30 BEEDLO CC(C)(C)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001201433452 983238936 /nfs/dbraw/zinc/23/89/36/983238936.db2.gz ZQRLOYTVBPDJQE-SNVBAGLBSA-N 1 2 225.357 2.307 20 30 BEEDLO CC(C)(C)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201433452 983238950 /nfs/dbraw/zinc/23/89/50/983238950.db2.gz ZQRLOYTVBPDJQE-SNVBAGLBSA-N 1 2 225.357 2.307 20 30 BEEDLO CC(C)(C)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201433452 983238962 /nfs/dbraw/zinc/23/89/62/983238962.db2.gz ZQRLOYTVBPDJQE-SNVBAGLBSA-N 1 2 225.357 2.307 20 30 BEEDLO CC[C@H](C)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201503206 983272625 /nfs/dbraw/zinc/27/26/25/983272625.db2.gz QVNGWPWQOZXDKT-GXSJLCMTSA-N 1 2 225.357 2.307 20 30 BEEDLO CC[C@H](C)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201503206 983272634 /nfs/dbraw/zinc/27/26/34/983272634.db2.gz QVNGWPWQOZXDKT-GXSJLCMTSA-N 1 2 225.357 2.307 20 30 BEEDLO Cc1cc(N)[nH+]cc1-c1ncc(F)cc1C#N ZINC001242071090 983305343 /nfs/dbraw/zinc/30/53/43/983305343.db2.gz SYMUDEIXZCRSKZ-UHFFFAOYSA-N 1 2 228.230 2.045 20 30 BEEDLO C#CC[N@@H+](Cc1cn(C(C)C)nn1)C(C)(C)C ZINC001354952220 983387549 /nfs/dbraw/zinc/38/75/49/983387549.db2.gz UINDXBBUXUVMIE-UHFFFAOYSA-N 1 2 234.347 2.093 20 30 BEEDLO C#CC[N@H+](Cc1cn(C(C)C)nn1)C(C)(C)C ZINC001354952220 983387557 /nfs/dbraw/zinc/38/75/57/983387557.db2.gz UINDXBBUXUVMIE-UHFFFAOYSA-N 1 2 234.347 2.093 20 30 BEEDLO N#Cc1cc(F)ccc1-c1cc[nH+]c2c1CCN2 ZINC001242583853 983897416 /nfs/dbraw/zinc/89/74/16/983897416.db2.gz JWAUYAUPFSULKH-UHFFFAOYSA-N 1 2 239.253 2.370 20 30 BEEDLO C=C[C@@H](O)CNc1ccc[nH+]c1N1CCCCC1 ZINC001253568107 984245519 /nfs/dbraw/zinc/24/55/19/984245519.db2.gz BZWIVEFRPFLSJI-GFCCVEGCSA-N 1 2 247.342 2.031 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc2[nH]c(C#N)cc2c1 ZINC001243067341 984482244 /nfs/dbraw/zinc/48/22/44/984482244.db2.gz JBOFKLWLCPVSIH-UHFFFAOYSA-N 1 2 222.251 2.440 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc(/C=N/O)c(F)c1 ZINC001243069744 984495875 /nfs/dbraw/zinc/49/58/75/984495875.db2.gz KDVNQCANEBAPLM-LHHJGKSTSA-N 1 2 219.219 2.034 20 30 BEEDLO CO/N=C/c1cc(-c2c[nH+]cn2C)ccc1F ZINC001243072218 984502237 /nfs/dbraw/zinc/50/22/37/984502237.db2.gz MNPNPIXJHLSYFR-GIDUJCDVSA-N 1 2 233.246 2.207 20 30 BEEDLO C=C[C@@H]1C[C@]1([NH2+]C(CC)CC)C(=O)OCC ZINC001257290905 984871177 /nfs/dbraw/zinc/87/11/77/984871177.db2.gz MWQBHNKSFQZDIT-ZWNOBZJWSA-N 1 2 225.332 2.272 20 30 BEEDLO N#Cc1c[nH]c2ncc(-c3ccc[nH+]c3N)cc12 ZINC001243473405 985026132 /nfs/dbraw/zinc/02/61/32/985026132.db2.gz KTPYMAPKGZDNAS-UHFFFAOYSA-N 1 2 235.250 2.079 20 30 BEEDLO COc1ccc(-c2ccc[nH+]c2N)cc1CC#N ZINC001243474552 985032828 /nfs/dbraw/zinc/03/28/28/985032828.db2.gz NMYVDURXCHKCPJ-UHFFFAOYSA-N 1 2 239.278 2.405 20 30 BEEDLO COc1cc(-c2ccc[nH+]c2N)cc(F)c1C#N ZINC001243476988 985035175 /nfs/dbraw/zinc/03/51/75/985035175.db2.gz HNDBANGYFHQNCZ-UHFFFAOYSA-N 1 2 243.241 2.350 20 30 BEEDLO C=CC(C)(C)NC(=O)c1cccc2[nH+]ccn21 ZINC001456990002 985180441 /nfs/dbraw/zinc/18/04/41/985180441.db2.gz YLYGTFUBTBHWEB-UHFFFAOYSA-N 1 2 229.283 2.029 20 30 BEEDLO Cc1cc(C#N)c(C2=C[NH2+]CCC2)nc1C ZINC001243947204 985623786 /nfs/dbraw/zinc/62/37/86/985623786.db2.gz FLCDFFSLENFXLX-UHFFFAOYSA-N 1 2 213.284 2.294 20 30 BEEDLO N#Cc1ccc2ncnc(C3=C[NH2+]CCC3)c2c1 ZINC001243947850 985629920 /nfs/dbraw/zinc/62/99/20/985629920.db2.gz QESJNZDMEZUMMA-UHFFFAOYSA-N 1 2 236.278 2.226 20 30 BEEDLO N#Cc1ccc(-c2ccc3[nH+]ccn3c2)c(N)c1 ZINC001244088770 985802350 /nfs/dbraw/zinc/80/23/50/985802350.db2.gz NGTBUUAFOCRFBL-UHFFFAOYSA-N 1 2 234.262 2.455 20 30 BEEDLO Cc1[nH+]c2ccc(N)cc2n1-c1ccnc(C#N)c1 ZINC001206612656 986035848 /nfs/dbraw/zinc/03/58/48/986035848.db2.gz AFRJCKPXDFVCAX-UHFFFAOYSA-N 1 2 249.277 2.183 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254930339 986746478 /nfs/dbraw/zinc/74/64/78/986746478.db2.gz GATYUWIQAXNXEZ-OWTLIXCDSA-N 1 2 234.343 2.272 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H]1COc2c1cccc2OC ZINC001255163031 986838284 /nfs/dbraw/zinc/83/82/84/986838284.db2.gz BDQCOKCOMOFRPL-JQWIXIFHSA-N 1 2 246.310 2.411 20 30 BEEDLO Cc1cc(-c2cc(F)cnc2C#N)c[nH+]c1N ZINC001245535864 986914712 /nfs/dbraw/zinc/91/47/12/986914712.db2.gz CQJMDOXUSNVCET-UHFFFAOYSA-N 1 2 228.230 2.045 20 30 BEEDLO C#CCCCCCC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001472021466 987161140 /nfs/dbraw/zinc/16/11/40/987161140.db2.gz WTLFGIARLRPUKW-UHFFFAOYSA-N 1 2 247.342 2.172 20 30 BEEDLO C#CCCCCCC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001472021466 987161153 /nfs/dbraw/zinc/16/11/53/987161153.db2.gz WTLFGIARLRPUKW-UHFFFAOYSA-N 1 2 247.342 2.172 20 30 BEEDLO Oc1ccccc1/C=[NH+]\CC[C@@H]1CCOC1 ZINC000783686125 987349790 /nfs/dbraw/zinc/34/97/90/987349790.db2.gz XNQFVFDRYYAJHE-RLIURORJSA-N 1 2 219.284 2.238 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(C)sc1C ZINC001116792399 987713840 /nfs/dbraw/zinc/71/38/40/987713840.db2.gz QMEILFAZYINDFJ-MRVPVSSYSA-N 1 2 208.330 2.213 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(C)sc1C ZINC001116792399 987713846 /nfs/dbraw/zinc/71/38/46/987713846.db2.gz QMEILFAZYINDFJ-MRVPVSSYSA-N 1 2 208.330 2.213 20 30 BEEDLO C=CC(C)(C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001117825852 987942217 /nfs/dbraw/zinc/94/22/17/987942217.db2.gz HMMQJDFJHSBBNR-UHFFFAOYSA-N 1 2 243.310 2.276 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC001480369515 987967052 /nfs/dbraw/zinc/96/70/52/987967052.db2.gz IVXMKJYQCMVPIG-CQSZACIVSA-N 1 2 248.370 2.063 20 30 BEEDLO CCCC[C@@H](CCC)N1CC[NH2+]C[C@H]1C#N ZINC001246594053 988184912 /nfs/dbraw/zinc/18/49/12/988184912.db2.gz ORPCFFLCLMHADL-CHWSQXEVSA-N 1 2 223.364 2.143 20 30 BEEDLO C=CCCC(C)(C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001118738783 988537708 /nfs/dbraw/zinc/53/77/08/988537708.db2.gz VSNMUXMMCFXAGP-LLVKDONJSA-N 1 2 235.331 2.305 20 30 BEEDLO C#CCCCCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001515895621 989129556 /nfs/dbraw/zinc/12/95/56/989129556.db2.gz JVFYSRZQKBBRJL-UHFFFAOYSA-N 1 2 248.326 2.355 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc2cc(C)ccc2[nH]1 ZINC001248842276 989190636 /nfs/dbraw/zinc/19/06/36/989190636.db2.gz NBKXXDGXNREWMU-UHFFFAOYSA-N 1 2 215.300 2.489 20 30 BEEDLO C=CC[N@H+](C)Cc1nc2cc(C)ccc2[nH]1 ZINC001248842276 989190639 /nfs/dbraw/zinc/19/06/39/989190639.db2.gz NBKXXDGXNREWMU-UHFFFAOYSA-N 1 2 215.300 2.489 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc2ccc(C)cc2[nH]1 ZINC001248842276 989190646 /nfs/dbraw/zinc/19/06/46/989190646.db2.gz NBKXXDGXNREWMU-UHFFFAOYSA-N 1 2 215.300 2.489 20 30 BEEDLO C=CC[N@H+](C)Cc1nc2ccc(C)cc2[nH]1 ZINC001248842276 989190652 /nfs/dbraw/zinc/19/06/52/989190652.db2.gz NBKXXDGXNREWMU-UHFFFAOYSA-N 1 2 215.300 2.489 20 30 BEEDLO CCn1c[nH+]cc1COC(=O)C(C#N)(CC)CC ZINC001520440807 989561893 /nfs/dbraw/zinc/56/18/93/989561893.db2.gz IBAJOMMHOABLHT-UHFFFAOYSA-N 1 2 249.314 2.276 20 30 BEEDLO C=C(C)CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001120598246 989773748 /nfs/dbraw/zinc/77/37/48/989773748.db2.gz LHIDRBKUASCSMG-GFCCVEGCSA-N 1 2 247.342 2.472 20 30 BEEDLO C=CCCC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001121219141 990048958 /nfs/dbraw/zinc/04/89/58/990048958.db2.gz XEXLVRHUHCNSMI-UHFFFAOYSA-N 1 2 247.342 2.092 20 30 BEEDLO C[C@H](CC(=O)O[C@H]1CC[C@H](C#N)C1)n1cc[nH+]c1 ZINC001122732143 990439793 /nfs/dbraw/zinc/43/97/93/990439793.db2.gz RVRCDBDHXVRGAH-WOPDTQHZSA-N 1 2 247.298 2.070 20 30 BEEDLO COc1ccc(C[NH+]2CC(C)C2)c(C#N)c1 ZINC001137698406 990842571 /nfs/dbraw/zinc/84/25/71/990842571.db2.gz VVPUAXOPQBDMQG-UHFFFAOYSA-N 1 2 216.284 2.019 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(C)c(F)c1F ZINC001137969664 990873348 /nfs/dbraw/zinc/87/33/48/990873348.db2.gz CJSYXCSXTWOKBD-UHFFFAOYSA-N 1 2 209.239 2.338 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(C)c(F)c1F ZINC001137969664 990873350 /nfs/dbraw/zinc/87/33/50/990873350.db2.gz CJSYXCSXTWOKBD-UHFFFAOYSA-N 1 2 209.239 2.338 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1c(C2CCC2)cnn1C ZINC001308506277 991015501 /nfs/dbraw/zinc/01/55/01/991015501.db2.gz UDWKYKVVNFHGBP-JTQLQIEISA-N 1 2 232.331 2.079 20 30 BEEDLO CCOC(=O)CCC[C@@H](C)[NH2+][C@H](C#N)CC ZINC001258111702 991022492 /nfs/dbraw/zinc/02/24/92/991022492.db2.gz LCNLALCQRIORON-MNOVXSKESA-N 1 2 226.320 2.000 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138739975 991028924 /nfs/dbraw/zinc/02/89/24/991028924.db2.gz JIKZHSACBPFNHV-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138739975 991028930 /nfs/dbraw/zinc/02/89/30/991028930.db2.gz JIKZHSACBPFNHV-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138741495 991030132 /nfs/dbraw/zinc/03/01/32/991030132.db2.gz WEDDIYUZVXIPES-NSHDSACASA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138741495 991030141 /nfs/dbraw/zinc/03/01/41/991030141.db2.gz WEDDIYUZVXIPES-NSHDSACASA-N 1 2 240.310 2.298 20 30 BEEDLO CNc1ccccc1C[N@H+](C)[C@H](C)CC#N ZINC001308589130 991052500 /nfs/dbraw/zinc/05/25/00/991052500.db2.gz JEYSUWJSJZILTI-LLVKDONJSA-N 1 2 217.316 2.462 20 30 BEEDLO CNc1ccccc1C[N@@H+](C)[C@H](C)CC#N ZINC001308589130 991052515 /nfs/dbraw/zinc/05/25/15/991052515.db2.gz JEYSUWJSJZILTI-LLVKDONJSA-N 1 2 217.316 2.462 20 30 BEEDLO C=CCOc1ccccc1C[N@H+](C)CC(C)=O ZINC001139028895 991126409 /nfs/dbraw/zinc/12/64/09/991126409.db2.gz HYWFRMZBNIGGTN-UHFFFAOYSA-N 1 2 233.311 2.272 20 30 BEEDLO C=CCOc1ccccc1C[N@@H+](C)CC(C)=O ZINC001139028895 991126411 /nfs/dbraw/zinc/12/64/11/991126411.db2.gz HYWFRMZBNIGGTN-UHFFFAOYSA-N 1 2 233.311 2.272 20 30 BEEDLO C[C@@H](C#N)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361470 991230086 /nfs/dbraw/zinc/23/00/86/991230086.db2.gz QZFWUBDWPYTGSC-LBPRGKRZSA-N 1 2 240.310 2.216 20 30 BEEDLO C=CCC1(O)C[NH+](C/C=C/c2ccc(F)cc2)C1 ZINC001308982733 991251834 /nfs/dbraw/zinc/25/18/34/991251834.db2.gz WLHSXTMUFYFTAP-ONEGZZNKSA-N 1 2 247.313 2.462 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(C)ccc1OCC ZINC001139607649 991288704 /nfs/dbraw/zinc/28/87/04/991288704.db2.gz YWPQARBYPWUKIQ-UHFFFAOYSA-N 1 2 241.334 2.462 20 30 BEEDLO Cc1ccc(C[N@@H+]2CCCC(=O)CC2)cc1C#N ZINC001139724738 991341562 /nfs/dbraw/zinc/34/15/62/991341562.db2.gz OCJHNMHPEVIDHA-UHFFFAOYSA-N 1 2 242.322 2.422 20 30 BEEDLO Cc1ccc(C[N@H+]2CCCC(=O)CC2)cc1C#N ZINC001139724738 991341567 /nfs/dbraw/zinc/34/15/67/991341567.db2.gz OCJHNMHPEVIDHA-UHFFFAOYSA-N 1 2 242.322 2.422 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ccc(OC)nc1OC ZINC001139921134 991418643 /nfs/dbraw/zinc/41/86/43/991418643.db2.gz SVCKCRTULXFOJJ-UHFFFAOYSA-N 1 2 248.326 2.273 20 30 BEEDLO C[C@H](CC1CC1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258460824 991420289 /nfs/dbraw/zinc/42/02/89/991420289.db2.gz LJDSAUHMTWPDNG-SKDRFNHKSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@H](CC1CC1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258460824 991420294 /nfs/dbraw/zinc/42/02/94/991420294.db2.gz LJDSAUHMTWPDNG-SKDRFNHKSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@H](CC1CC1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258460824 991420297 /nfs/dbraw/zinc/42/02/97/991420297.db2.gz LJDSAUHMTWPDNG-SKDRFNHKSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@H](CC1CC1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258460824 991420302 /nfs/dbraw/zinc/42/03/02/991420302.db2.gz LJDSAUHMTWPDNG-SKDRFNHKSA-N 1 2 237.368 2.449 20 30 BEEDLO C=CCC[C@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC001258734930 991683608 /nfs/dbraw/zinc/68/36/08/991683608.db2.gz KSYVXLYFFGKTIN-UWVGGRQHSA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCC[C@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC001258734930 991683609 /nfs/dbraw/zinc/68/36/09/991683609.db2.gz KSYVXLYFFGKTIN-UWVGGRQHSA-N 1 2 219.275 2.043 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)CC ZINC001568474321 992175089 /nfs/dbraw/zinc/17/50/89/992175089.db2.gz CYVOFURZCLEEGX-JTQLQIEISA-N 1 2 246.782 2.175 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@H](C)CC ZINC001568474321 992175097 /nfs/dbraw/zinc/17/50/97/992175097.db2.gz CYVOFURZCLEEGX-JTQLQIEISA-N 1 2 246.782 2.175 20 30 BEEDLO N#CCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000055471830 136210378 /nfs/dbraw/zinc/21/03/78/136210378.db2.gz GSACDYBJSCLWHS-UHFFFAOYSA-N 1 2 242.322 2.495 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000081160373 136211265 /nfs/dbraw/zinc/21/12/65/136211265.db2.gz CGQQXSCMEQRAIN-UHFFFAOYSA-N 1 2 203.289 2.207 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000081160373 136211266 /nfs/dbraw/zinc/21/12/66/136211266.db2.gz CGQQXSCMEQRAIN-UHFFFAOYSA-N 1 2 203.289 2.207 20 30 BEEDLO CC(C)n1ccc(C[NH+]2CCC(C#N)CC2)n1 ZINC000083683361 136211583 /nfs/dbraw/zinc/21/15/83/136211583.db2.gz ZMXWULXZMYSTCL-UHFFFAOYSA-N 1 2 232.331 2.200 20 30 BEEDLO C=C(C)C[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000174233911 192025866 /nfs/dbraw/zinc/02/58/66/192025866.db2.gz SRTOTXRHOVPSOF-UHFFFAOYSA-N 1 2 221.304 2.313 20 30 BEEDLO CC[C@@H](c1ccncc1)[N@H+](C)CCC#N ZINC000299677299 398151546 /nfs/dbraw/zinc/15/15/46/398151546.db2.gz MRMYDMQAAGZZQG-LBPRGKRZSA-N 1 2 203.289 2.378 20 30 BEEDLO CC[C@@H](c1ccncc1)[N@@H+](C)CCC#N ZINC000299677299 398151552 /nfs/dbraw/zinc/15/15/52/398151552.db2.gz MRMYDMQAAGZZQG-LBPRGKRZSA-N 1 2 203.289 2.378 20 30 BEEDLO C[C@H](CC#N)N(C)Cc1c[nH+]c2ccccn12 ZINC000161822140 349509733 /nfs/dbraw/zinc/50/97/33/349509733.db2.gz GWYXQVLUECUJAU-LLVKDONJSA-N 1 2 228.299 2.068 20 30 BEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000339759372 398162840 /nfs/dbraw/zinc/16/28/40/398162840.db2.gz DTQNZINRSJIYFH-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000339759372 398162841 /nfs/dbraw/zinc/16/28/41/398162841.db2.gz DTQNZINRSJIYFH-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2nccnc2c1 ZINC000602446672 349547744 /nfs/dbraw/zinc/54/77/44/349547744.db2.gz HGWZYHQWLLVRIU-NSHDSACASA-N 1 2 240.310 2.221 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000602446672 349547745 /nfs/dbraw/zinc/54/77/45/349547745.db2.gz HGWZYHQWLLVRIU-NSHDSACASA-N 1 2 240.310 2.221 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(F)c1N ZINC000602463926 349557314 /nfs/dbraw/zinc/55/73/14/349557314.db2.gz WWXZPPJWACOPNP-SECBINFHSA-N 1 2 221.279 2.142 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(F)c1N ZINC000602463926 349557319 /nfs/dbraw/zinc/55/73/19/349557319.db2.gz WWXZPPJWACOPNP-SECBINFHSA-N 1 2 221.279 2.142 20 30 BEEDLO CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H](C#N)C1 ZINC000600117237 342674098 /nfs/dbraw/zinc/67/40/98/342674098.db2.gz IRHZLGXQUVWJSW-MCIONIFRSA-N 1 2 236.359 2.427 20 30 BEEDLO CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@@H](C#N)C1 ZINC000600117237 342674100 /nfs/dbraw/zinc/67/41/00/342674100.db2.gz IRHZLGXQUVWJSW-MCIONIFRSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cncc(Cl)c1 ZINC000600144074 342689703 /nfs/dbraw/zinc/68/97/03/342689703.db2.gz GMFJOGXUGVYVKP-QMMMGPOBSA-N 1 2 209.680 2.127 20 30 BEEDLO Cc1[nH]c(CNCC2(C#N)CCCC2)[nH+]c1C ZINC000600172890 342695511 /nfs/dbraw/zinc/69/55/11/342695511.db2.gz HZJNSPLKVZHMHB-UHFFFAOYSA-N 1 2 232.331 2.200 20 30 BEEDLO Cc1[nH]c(CN2CCC[C@@H](CC#N)C2)[nH+]c1C ZINC000600177264 342696575 /nfs/dbraw/zinc/69/65/75/342696575.db2.gz JDFHVQPGADCNBM-LBPRGKRZSA-N 1 2 232.331 2.152 20 30 BEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)[nH]c1C ZINC000600177264 342696576 /nfs/dbraw/zinc/69/65/76/342696576.db2.gz JDFHVQPGADCNBM-LBPRGKRZSA-N 1 2 232.331 2.152 20 30 BEEDLO Cc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)[nH]c1C ZINC000600177264 342696577 /nfs/dbraw/zinc/69/65/77/342696577.db2.gz JDFHVQPGADCNBM-LBPRGKRZSA-N 1 2 232.331 2.152 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000309602483 342732446 /nfs/dbraw/zinc/73/24/46/342732446.db2.gz XYGCFDMHNYQRJV-VIFPVBQESA-N 1 2 235.356 2.271 20 30 BEEDLO C=CC[C@H]1CC[C@@]2(C1)NC(=O)C[N@H+]2CC(C)C ZINC000649490018 398287311 /nfs/dbraw/zinc/28/73/11/398287311.db2.gz PDZJGSQEUNPRHH-GXTWGEPZSA-N 1 2 236.359 2.147 20 30 BEEDLO C=CC[C@H]1CC[C@@]2(C1)NC(=O)C[N@@H+]2CC(C)C ZINC000649490018 398287312 /nfs/dbraw/zinc/28/73/12/398287312.db2.gz PDZJGSQEUNPRHH-GXTWGEPZSA-N 1 2 236.359 2.147 20 30 BEEDLO C[N@@H+](CCC#N)CCOCc1ccccc1 ZINC000154612441 398293207 /nfs/dbraw/zinc/29/32/07/398293207.db2.gz BUKKZQUGJNKABM-UHFFFAOYSA-N 1 2 218.300 2.049 20 30 BEEDLO C[N@H+](CCC#N)CCOCc1ccccc1 ZINC000154612441 398293209 /nfs/dbraw/zinc/29/32/09/398293209.db2.gz BUKKZQUGJNKABM-UHFFFAOYSA-N 1 2 218.300 2.049 20 30 BEEDLO C=C(C)C[NH2+]Cc1n[nH]c2ccccc21 ZINC000380114452 538985501 /nfs/dbraw/zinc/98/55/01/538985501.db2.gz PCVMCRNYNWALGM-UHFFFAOYSA-N 1 2 201.273 2.229 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000068608586 342837244 /nfs/dbraw/zinc/83/72/44/342837244.db2.gz CBKVHEDNRDBVIV-LBPRGKRZSA-N 1 2 240.310 2.264 20 30 BEEDLO CC1(C)COCC[N@@H+]1Cc1ccccc1C#N ZINC000042372103 361986585 /nfs/dbraw/zinc/98/65/85/361986585.db2.gz PYXGHNAETWVMMD-UHFFFAOYSA-N 1 2 230.311 2.169 20 30 BEEDLO CC1(C)COCC[N@H+]1Cc1ccccc1C#N ZINC000042372103 361986586 /nfs/dbraw/zinc/98/65/86/361986586.db2.gz PYXGHNAETWVMMD-UHFFFAOYSA-N 1 2 230.311 2.169 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000602613244 349636580 /nfs/dbraw/zinc/63/65/80/349636580.db2.gz UWDDYWLVWBZEAO-VXGBXAGGSA-N 1 2 232.331 2.153 20 30 BEEDLO N#CCC1C[NH+](Cc2ccnn2CC2CCC2)C1 ZINC000602707545 349701189 /nfs/dbraw/zinc/70/11/89/349701189.db2.gz KIKNEZSCKYNYEP-UHFFFAOYSA-N 1 2 244.342 2.029 20 30 BEEDLO C=C(C)C[C@@H]([NH2+]C1CC(C)(C)C1)C(=O)OC ZINC000602735418 349720824 /nfs/dbraw/zinc/72/08/24/349720824.db2.gz WUOPWTKMYFYYCQ-LLVKDONJSA-N 1 2 225.332 2.272 20 30 BEEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602799013 349740041 /nfs/dbraw/zinc/74/00/41/349740041.db2.gz ACQQGINJVVXBJP-VIFPVBQESA-N 1 2 238.287 2.030 20 30 BEEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602799013 349740043 /nfs/dbraw/zinc/74/00/43/349740043.db2.gz ACQQGINJVVXBJP-VIFPVBQESA-N 1 2 238.287 2.030 20 30 BEEDLO C[C@@]1(C#N)CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602807148 349769780 /nfs/dbraw/zinc/76/97/80/349769780.db2.gz VBYWHMHWTARGBZ-LBPRGKRZSA-N 1 2 217.316 2.306 20 30 BEEDLO C[C@@]1(C#N)CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602807148 349769781 /nfs/dbraw/zinc/76/97/81/349769781.db2.gz VBYWHMHWTARGBZ-LBPRGKRZSA-N 1 2 217.316 2.306 20 30 BEEDLO COC(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)CC#N)o1 ZINC000602860342 349771723 /nfs/dbraw/zinc/77/17/23/349771723.db2.gz COIQCTFUHOYGCL-DTWKUNHWSA-N 1 2 236.271 2.019 20 30 BEEDLO Cc1csc(C[NH+]2CCC(F)(C#N)CC2)n1 ZINC000352464231 136263818 /nfs/dbraw/zinc/26/38/18/136263818.db2.gz QQCDCDFQFGLDEZ-UHFFFAOYSA-N 1 2 239.319 2.279 20 30 BEEDLO Cn1c[nH+]cc1CN(CCC#N)CC(C)(C)C ZINC000177281735 346926022 /nfs/dbraw/zinc/92/60/22/346926022.db2.gz OWDDYKGUHUOUAC-UHFFFAOYSA-N 1 2 234.347 2.182 20 30 BEEDLO Cc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1C ZINC000602863822 349796017 /nfs/dbraw/zinc/79/60/17/349796017.db2.gz QCSPOXSAWZQBTL-LBPRGKRZSA-N 1 2 245.326 2.134 20 30 BEEDLO C=C1CC[NH+](Cc2cc(C(=O)OC)co2)CC1 ZINC000264486077 187234846 /nfs/dbraw/zinc/23/48/46/187234846.db2.gz RMTHWGVWCXEXPW-UHFFFAOYSA-N 1 2 235.283 2.218 20 30 BEEDLO C=C1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000264445778 187235009 /nfs/dbraw/zinc/23/50/09/187235009.db2.gz GQYDVHCMHGADHY-UHFFFAOYSA-N 1 2 227.311 2.486 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000042454455 136272811 /nfs/dbraw/zinc/27/28/11/136272811.db2.gz BALPQHDNVNEZTP-UHFFFAOYSA-N 1 2 233.271 2.330 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000042454455 136272812 /nfs/dbraw/zinc/27/28/12/136272812.db2.gz BALPQHDNVNEZTP-UHFFFAOYSA-N 1 2 233.271 2.330 20 30 BEEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCC#N ZINC000266935156 136281729 /nfs/dbraw/zinc/28/17/29/136281729.db2.gz NWVNJAQNOMFSHF-ZDUSSCGKSA-N 1 2 217.316 2.466 20 30 BEEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1CCC#N ZINC000266935156 136281730 /nfs/dbraw/zinc/28/17/30/136281730.db2.gz NWVNJAQNOMFSHF-ZDUSSCGKSA-N 1 2 217.316 2.466 20 30 BEEDLO Cc1nnc([C@H](C)[NH+]2CCC(C#N)CC2)s1 ZINC000274103510 136284624 /nfs/dbraw/zinc/28/46/24/136284624.db2.gz SVWYXQMGYKVGHD-QMMMGPOBSA-N 1 2 236.344 2.143 20 30 BEEDLO CC#CCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000338827997 136279625 /nfs/dbraw/zinc/27/96/25/136279625.db2.gz KEDJKMYUJQFXNT-UHFFFAOYSA-N 1 2 217.316 2.368 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(C)n1 ZINC000051576229 343258942 /nfs/dbraw/zinc/25/89/42/343258942.db2.gz GFDGGDOMSOJDKM-LLVKDONJSA-N 1 2 203.289 2.172 20 30 BEEDLO Cc1cccn2cc(CN(CC#N)C3CC3)[nH+]c12 ZINC000609144496 343320907 /nfs/dbraw/zinc/32/09/07/343320907.db2.gz KLOIHKVHAPAHBS-UHFFFAOYSA-N 1 2 240.310 2.131 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cccc(F)c1F ZINC000134970532 343325351 /nfs/dbraw/zinc/32/53/51/343325351.db2.gz OSLNWYMPUQBWSP-MRVPVSSYSA-N 1 2 210.227 2.357 20 30 BEEDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000335846780 344031660 /nfs/dbraw/zinc/03/16/60/344031660.db2.gz AGSIYGSZJBSMML-JQWIXIFHSA-N 1 2 248.301 2.043 20 30 BEEDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cccc(F)c1C#N ZINC000335846780 344031662 /nfs/dbraw/zinc/03/16/62/344031662.db2.gz AGSIYGSZJBSMML-JQWIXIFHSA-N 1 2 248.301 2.043 20 30 BEEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)CC#N ZINC000121212215 536877689 /nfs/dbraw/zinc/87/76/89/536877689.db2.gz PQOFAYKBRUXDOX-LLVKDONJSA-N 1 2 243.310 2.301 20 30 BEEDLO N#CCC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234325 343389100 /nfs/dbraw/zinc/38/91/00/343389100.db2.gz QAFWUXSNHZGYQK-AWEZNQCLSA-N 1 2 230.311 2.364 20 30 BEEDLO N#CCC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234325 343389101 /nfs/dbraw/zinc/38/91/01/343389101.db2.gz QAFWUXSNHZGYQK-AWEZNQCLSA-N 1 2 230.311 2.364 20 30 BEEDLO C#CC[NH+](CC#C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000299228434 343398651 /nfs/dbraw/zinc/39/86/51/343398651.db2.gz JCCNJHGPVHNFFN-GFCCVEGCSA-N 1 2 242.278 2.224 20 30 BEEDLO C[C@@H]1[C@H](C)[N@H+](Cc2cc(C#N)cs2)CCN1C ZINC000335680499 136328472 /nfs/dbraw/zinc/32/84/72/136328472.db2.gz VDFJHKBWOXGRLP-MNOVXSKESA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@@H]1[C@H](C)[N@@H+](Cc2cc(C#N)cs2)CCN1C ZINC000335680499 136328473 /nfs/dbraw/zinc/32/84/73/136328473.db2.gz VDFJHKBWOXGRLP-MNOVXSKESA-N 1 2 249.383 2.144 20 30 BEEDLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C=CCCC1 ZINC000329549136 136366094 /nfs/dbraw/zinc/36/60/94/136366094.db2.gz OZTWSPPCUTWOKS-SNVBAGLBSA-N 1 2 219.288 2.408 20 30 BEEDLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C=CCCC1 ZINC000329549136 136366095 /nfs/dbraw/zinc/36/60/95/136366095.db2.gz OZTWSPPCUTWOKS-SNVBAGLBSA-N 1 2 219.288 2.408 20 30 BEEDLO CC#CCC[N@@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000189571874 136372126 /nfs/dbraw/zinc/37/21/26/136372126.db2.gz BFKZAZSWDNOYAO-LBPRGKRZSA-N 1 2 246.358 2.192 20 30 BEEDLO CC#CCC[N@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000189571874 136372127 /nfs/dbraw/zinc/37/21/27/136372127.db2.gz BFKZAZSWDNOYAO-LBPRGKRZSA-N 1 2 246.358 2.192 20 30 BEEDLO C#CC[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000379972874 365770516 /nfs/dbraw/zinc/77/05/16/365770516.db2.gz CAPCOLPPIJNEBD-SNVBAGLBSA-N 1 2 244.121 2.250 20 30 BEEDLO N#CCC[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000572751663 323052476 /nfs/dbraw/zinc/05/24/76/323052476.db2.gz PWOIADFUMGPMNH-NSHDSACASA-N 1 2 220.247 2.153 20 30 BEEDLO C=C(C)C[NH2+][C@@H](Cc1ccccc1)C(=O)OCC ZINC000602941743 349825611 /nfs/dbraw/zinc/82/56/11/349825611.db2.gz XRENSQISBAGMIG-AWEZNQCLSA-N 1 2 247.338 2.327 20 30 BEEDLO CC(C)[C@H](Nc1ncccc1C#N)c1[nH]cc[nH+]1 ZINC000285536069 187344547 /nfs/dbraw/zinc/34/45/47/187344547.db2.gz HQTARXQJNNSNCW-NSHDSACASA-N 1 2 241.298 2.486 20 30 BEEDLO COc1cncc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602981737 349831542 /nfs/dbraw/zinc/83/15/42/349831542.db2.gz IWFFMBOJCNNBGE-OCCSQVGLSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cncc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602981737 349831545 /nfs/dbraw/zinc/83/15/45/349831545.db2.gz IWFFMBOJCNNBGE-OCCSQVGLSA-N 1 2 245.326 2.214 20 30 BEEDLO CCc1nocc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981613 349831978 /nfs/dbraw/zinc/83/19/78/349831978.db2.gz GSXJCTTXVLABBV-GXFFZTMASA-N 1 2 233.315 2.361 20 30 BEEDLO CCc1nocc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981613 349831980 /nfs/dbraw/zinc/83/19/80/349831980.db2.gz GSXJCTTXVLABBV-GXFFZTMASA-N 1 2 233.315 2.361 20 30 BEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000119281635 343686777 /nfs/dbraw/zinc/68/67/77/343686777.db2.gz WTBQIIWZUBKYNN-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000119281635 343686779 /nfs/dbraw/zinc/68/67/79/343686779.db2.gz WTBQIIWZUBKYNN-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO C[N@H+](Cc1ccnc(C#N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980476 349845422 /nfs/dbraw/zinc/84/54/22/349845422.db2.gz QKZAXQRDXHIBBW-TZMCWYRMSA-N 1 2 240.310 2.077 20 30 BEEDLO C[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980476 349845424 /nfs/dbraw/zinc/84/54/24/349845424.db2.gz QKZAXQRDXHIBBW-TZMCWYRMSA-N 1 2 240.310 2.077 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)nc1 ZINC000602980063 349845443 /nfs/dbraw/zinc/84/54/43/349845443.db2.gz LAIYKHWHCKQXFM-RISCZKNCSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)nc1 ZINC000602980063 349845444 /nfs/dbraw/zinc/84/54/44/349845444.db2.gz LAIYKHWHCKQXFM-RISCZKNCSA-N 1 2 245.326 2.214 20 30 BEEDLO N#CC[N@@H+](C[C@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000393295926 343793234 /nfs/dbraw/zinc/79/32/34/343793234.db2.gz UULASHAFLVSSPI-OCCSQVGLSA-N 1 2 236.359 2.306 20 30 BEEDLO N#CC[N@H+](C[C@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000393295926 343793235 /nfs/dbraw/zinc/79/32/35/343793235.db2.gz UULASHAFLVSSPI-OCCSQVGLSA-N 1 2 236.359 2.306 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCc1ccncc1C ZINC000580321428 346992535 /nfs/dbraw/zinc/99/25/35/346992535.db2.gz ICTPWFGPJKVLBH-UHFFFAOYSA-N 1 2 229.327 2.334 20 30 BEEDLO C=CC[N@H+](CCC#N)CCc1ccncc1C ZINC000580321428 346992537 /nfs/dbraw/zinc/99/25/37/346992537.db2.gz ICTPWFGPJKVLBH-UHFFFAOYSA-N 1 2 229.327 2.334 20 30 BEEDLO Cc1cc(NC(=O)NCCCCC#N)cc[nH+]1 ZINC000179799845 346997785 /nfs/dbraw/zinc/99/77/85/346997785.db2.gz XKDYPCNLZRKXNO-UHFFFAOYSA-N 1 2 232.287 2.205 20 30 BEEDLO CCN(Cc1cc(OC)cc[nH+]1)C[C@@H](C)C#N ZINC000106933879 347039562 /nfs/dbraw/zinc/03/95/62/347039562.db2.gz OHLBOECASLWSEM-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)o2)cs1 ZINC000135482360 344466880 /nfs/dbraw/zinc/46/68/80/344466880.db2.gz SWOHIDSUHPSSRA-UHFFFAOYSA-N 1 2 233.296 2.206 20 30 BEEDLO COc1ccc(N[C@@H]2CC[C@H](C#N)C2)[nH+]c1 ZINC000381355474 344496987 /nfs/dbraw/zinc/49/69/87/344496987.db2.gz CZVUXQBXFXYEJQ-VHSXEESVSA-N 1 2 217.272 2.194 20 30 BEEDLO CO[C@@H](C)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000181553021 347063205 /nfs/dbraw/zinc/06/32/05/347063205.db2.gz YOTUEZKCXPNGJR-QMMMGPOBSA-N 1 2 242.706 2.012 20 30 BEEDLO CO[C@H](C)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000181553039 347063434 /nfs/dbraw/zinc/06/34/34/347063434.db2.gz YOTUEZKCXPNGJR-MRVPVSSYSA-N 1 2 242.706 2.012 20 30 BEEDLO C=CC[C@@H](CC)Nc1cc(CO)cc[nH+]1 ZINC000641554997 362499327 /nfs/dbraw/zinc/49/93/27/362499327.db2.gz WRGPTDQNXUYOGC-LLVKDONJSA-N 1 2 206.289 2.341 20 30 BEEDLO CC#CCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000156487538 345168599 /nfs/dbraw/zinc/16/85/99/345168599.db2.gz GLDXSSUWHYIAMA-HNNXBMFYSA-N 1 2 245.322 2.179 20 30 BEEDLO CC#CCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000156487538 345168601 /nfs/dbraw/zinc/16/86/01/345168601.db2.gz GLDXSSUWHYIAMA-HNNXBMFYSA-N 1 2 245.322 2.179 20 30 BEEDLO Cc1cc(NCC2(C(F)F)CC2)c(C#N)c[nH+]1 ZINC000425259472 192086223 /nfs/dbraw/zinc/08/62/23/192086223.db2.gz MBMMPWKBWIONLI-UHFFFAOYSA-N 1 2 237.253 2.141 20 30 BEEDLO CC(C)n1cc[nH+]c1CN(CCC#N)CCC#N ZINC000132895207 345350454 /nfs/dbraw/zinc/35/04/54/345350454.db2.gz RRZDGEJEVIZJHX-UHFFFAOYSA-N 1 2 245.330 2.093 20 30 BEEDLO N#C[C@@H]1CC[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000425272971 192087574 /nfs/dbraw/zinc/08/75/74/192087574.db2.gz MZKACBYTFCMVLA-MNOVXSKESA-N 1 2 238.294 2.156 20 30 BEEDLO C=CCC[C@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000133002262 345355803 /nfs/dbraw/zinc/35/58/03/345355803.db2.gz PQIORYPJPAREJH-ZDUSSCGKSA-N 1 2 248.326 2.322 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000133002262 345355805 /nfs/dbraw/zinc/35/58/05/345355805.db2.gz PQIORYPJPAREJH-ZDUSSCGKSA-N 1 2 248.326 2.322 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000134973661 345427860 /nfs/dbraw/zinc/42/78/60/345427860.db2.gz RAASBRKBYGPKGM-JTQLQIEISA-N 1 2 220.320 2.030 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(COC)o1 ZINC000135041191 345430442 /nfs/dbraw/zinc/43/04/42/345430442.db2.gz AUIWYEQOWDQKIQ-SNVBAGLBSA-N 1 2 222.288 2.208 20 30 BEEDLO CC[C@@](C)(C#N)C(=O)Nc1cc[nH+]cc1C ZINC000136252200 345493541 /nfs/dbraw/zinc/49/35/41/345493541.db2.gz KBFOBWLKTUWHHW-LBPRGKRZSA-N 1 2 217.272 2.268 20 30 BEEDLO N#CCC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084134251 345511263 /nfs/dbraw/zinc/51/12/63/345511263.db2.gz QDNACWLCUCHQSZ-OAHLLOKOSA-N 1 2 244.338 2.234 20 30 BEEDLO N#CCC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084134251 345511265 /nfs/dbraw/zinc/51/12/65/345511265.db2.gz QDNACWLCUCHQSZ-OAHLLOKOSA-N 1 2 244.338 2.234 20 30 BEEDLO Cc1ccc(C[NH2+]Cc2nc(C#N)cs2)nc1 ZINC000400850106 345842882 /nfs/dbraw/zinc/84/28/82/345842882.db2.gz FPIHAAMDLHHTDZ-UHFFFAOYSA-N 1 2 244.323 2.008 20 30 BEEDLO CC(C)[C@H]([NH2+]CCCC#N)C(=O)OC(C)(C)C ZINC000184314292 345942905 /nfs/dbraw/zinc/94/29/05/345942905.db2.gz SKJMEMWVANQHEV-NSHDSACASA-N 1 2 240.347 2.246 20 30 BEEDLO C=C(C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635820307 346076212 /nfs/dbraw/zinc/07/62/12/346076212.db2.gz NNSYBHHNGCIDMA-LBPRGKRZSA-N 1 2 235.331 2.163 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000609449310 346076685 /nfs/dbraw/zinc/07/66/85/346076685.db2.gz ZNCTYCFMXMJOSL-LBPRGKRZSA-N 1 2 240.310 2.264 20 30 BEEDLO C=CCN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635819099 346080071 /nfs/dbraw/zinc/08/00/71/346080071.db2.gz VCTJMYZMYHGJPV-GFCCVEGCSA-N 1 2 235.331 2.115 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000586779085 346099478 /nfs/dbraw/zinc/09/94/78/346099478.db2.gz WWPBRTSLGHSZSD-JFILPPLUSA-N 1 2 241.400 2.020 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000586779085 346099479 /nfs/dbraw/zinc/09/94/79/346099479.db2.gz WWPBRTSLGHSZSD-JFILPPLUSA-N 1 2 241.400 2.020 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000586779084 346099697 /nfs/dbraw/zinc/09/96/97/346099697.db2.gz WWPBRTSLGHSZSD-BCUIYNNISA-N 1 2 241.400 2.020 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000586779084 346099698 /nfs/dbraw/zinc/09/96/98/346099698.db2.gz WWPBRTSLGHSZSD-BCUIYNNISA-N 1 2 241.400 2.020 20 30 BEEDLO C=CCN(Cc1[nH]c(C)c(C)[nH+]1)C1CC1 ZINC000628238023 346195255 /nfs/dbraw/zinc/19/52/55/346195255.db2.gz IKRCJLAQCFEACM-UHFFFAOYSA-N 1 2 205.305 2.177 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C)c(C)[nH]1)C1CC1 ZINC000628238023 346195259 /nfs/dbraw/zinc/19/52/59/346195259.db2.gz IKRCJLAQCFEACM-UHFFFAOYSA-N 1 2 205.305 2.177 20 30 BEEDLO C=CC[N@H+](Cc1nc(C)c(C)[nH]1)C1CC1 ZINC000628238023 346195262 /nfs/dbraw/zinc/19/52/62/346195262.db2.gz IKRCJLAQCFEACM-UHFFFAOYSA-N 1 2 205.305 2.177 20 30 BEEDLO C=CCCC[N@@H+](C)Cc1nnc(OCC)s1 ZINC000265639207 166233094 /nfs/dbraw/zinc/23/30/94/166233094.db2.gz RHPCQZNATDJYBC-UHFFFAOYSA-N 1 2 241.360 2.335 20 30 BEEDLO C=CCCC[N@H+](C)Cc1nnc(OCC)s1 ZINC000265639207 166233095 /nfs/dbraw/zinc/23/30/95/166233095.db2.gz RHPCQZNATDJYBC-UHFFFAOYSA-N 1 2 241.360 2.335 20 30 BEEDLO N#Cc1cccc(C[N@H+]2CC[C@H](F)C2)c1F ZINC000336262964 187366057 /nfs/dbraw/zinc/36/60/57/187366057.db2.gz KWPYLJSGBJCOAI-NSHDSACASA-N 1 2 222.238 2.241 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](F)C2)c1F ZINC000336262964 187366059 /nfs/dbraw/zinc/36/60/59/187366059.db2.gz KWPYLJSGBJCOAI-NSHDSACASA-N 1 2 222.238 2.241 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/[C@@H]2CCCOCC2)c1 ZINC000182699583 347102597 /nfs/dbraw/zinc/10/25/97/347102597.db2.gz VLGRSFDXHPEWCD-JXCQQFQQSA-N 1 2 249.310 2.389 20 30 BEEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CCCOCC1 ZINC000182699357 347102918 /nfs/dbraw/zinc/10/29/18/347102918.db2.gz MYPJHIHSYQQICL-HLVNSREUSA-N 1 2 219.284 2.380 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/[C@H]2CCCOCC2)c1 ZINC000182699599 347103107 /nfs/dbraw/zinc/10/31/07/347103107.db2.gz VLGRSFDXHPEWCD-XBUHWIKASA-N 1 2 249.310 2.389 20 30 BEEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cocn1)CC2 ZINC000589342814 346690614 /nfs/dbraw/zinc/69/06/14/346690614.db2.gz OFIWAFRATSHDHO-AWEZNQCLSA-N 1 2 239.278 2.323 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1cccc(C)c1C ZINC000589999029 346761254 /nfs/dbraw/zinc/76/12/54/346761254.db2.gz PUCNYHVQRGBXMV-CQSZACIVSA-N 1 2 247.338 2.463 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(C)c1C ZINC000589999029 346761256 /nfs/dbraw/zinc/76/12/56/346761256.db2.gz PUCNYHVQRGBXMV-CQSZACIVSA-N 1 2 247.338 2.463 20 30 BEEDLO C[C@@H]1CC[C@H](C[N@H+](CC#N)C2CCCC2)O1 ZINC000188520462 347282851 /nfs/dbraw/zinc/28/28/51/347282851.db2.gz USQWHEBPPMQNNE-DGCLKSJQSA-N 1 2 222.332 2.322 20 30 BEEDLO C[C@@H]1CC[C@H](C[N@@H+](CC#N)C2CCCC2)O1 ZINC000188520462 347282854 /nfs/dbraw/zinc/28/28/54/347282854.db2.gz USQWHEBPPMQNNE-DGCLKSJQSA-N 1 2 222.332 2.322 20 30 BEEDLO COc1cc(C)ccc1C[NH2+]CC1(C#N)CC1 ZINC000590653304 347483568 /nfs/dbraw/zinc/48/35/68/347483568.db2.gz QVSBIGIYSLSYMR-UHFFFAOYSA-N 1 2 230.311 2.397 20 30 BEEDLO N#CCN1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000109765220 347465319 /nfs/dbraw/zinc/46/53/19/347465319.db2.gz ISQGWBMGBHOZSE-UHFFFAOYSA-N 1 2 240.310 2.266 20 30 BEEDLO Cc1nc(C[N@@H+](C)Cc2ccc(C#N)cc2)co1 ZINC000590603428 347476735 /nfs/dbraw/zinc/47/67/35/347476735.db2.gz WUUKZWRHCYZOJQ-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1nc(C[N@H+](C)Cc2ccc(C#N)cc2)co1 ZINC000590603428 347476738 /nfs/dbraw/zinc/47/67/38/347476738.db2.gz WUUKZWRHCYZOJQ-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C=CCC[N@H+](C)Cc1noc(CCCC)n1 ZINC000276449981 166260654 /nfs/dbraw/zinc/26/06/54/166260654.db2.gz PKSHURZSMHRJIW-UHFFFAOYSA-N 1 2 223.320 2.420 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H]1CCC[C@H]1CC)C(=O)OC ZINC000591375013 347649939 /nfs/dbraw/zinc/64/99/39/347649939.db2.gz QNNCATAGFZDPDT-UTUOFQBUSA-N 1 2 225.332 2.130 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H]1CCC[C@H]1C1CC1)C(=O)OC ZINC000591377328 347651160 /nfs/dbraw/zinc/65/11/60/347651160.db2.gz LTHBDSKSRMRPBI-AGIUHOORSA-N 1 2 237.343 2.130 20 30 BEEDLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000591659841 347683761 /nfs/dbraw/zinc/68/37/61/347683761.db2.gz YVJZLGVLRCRHFA-DVVUODLYSA-N 1 2 218.304 2.061 20 30 BEEDLO N#CCC[NH2+][C@@H]1COc2c1cccc2Cl ZINC000591753866 347690804 /nfs/dbraw/zinc/69/08/04/347690804.db2.gz NCYDJHVHMCHBGE-SNVBAGLBSA-N 1 2 222.675 2.277 20 30 BEEDLO CNc1ccc(-c2ccc(C#N)cc2)c[nH+]1 ZINC000591885946 347711224 /nfs/dbraw/zinc/71/12/24/347711224.db2.gz KHFSLIYZIKVBCE-UHFFFAOYSA-N 1 2 209.252 2.084 20 30 BEEDLO C[C@H]1C[NH+](Cc2ccncc2C#N)C[C@H](C)S1 ZINC000592072389 347728115 /nfs/dbraw/zinc/72/81/15/347728115.db2.gz JUNDHEVAMKWMCY-QWRGUYRKSA-N 1 2 247.367 2.279 20 30 BEEDLO CCC[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593123914 347863638 /nfs/dbraw/zinc/86/36/38/347863638.db2.gz GYMGWBHNJBEGPI-CYBMUJFWSA-N 1 2 230.311 2.035 20 30 BEEDLO CCC[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593123914 347863639 /nfs/dbraw/zinc/86/36/39/347863639.db2.gz GYMGWBHNJBEGPI-CYBMUJFWSA-N 1 2 230.311 2.035 20 30 BEEDLO Cc1cc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000577366731 365935601 /nfs/dbraw/zinc/93/56/01/365935601.db2.gz DQEMJWCEXPLPCW-PTEHBNRSSA-N 1 2 245.326 2.052 20 30 BEEDLO COc1cccc(C[NH2+]CC2(C#N)CCCC2)n1 ZINC000593654510 347921960 /nfs/dbraw/zinc/92/19/60/347921960.db2.gz FFHPWRRKWKRZMU-UHFFFAOYSA-N 1 2 245.326 2.264 20 30 BEEDLO CN(C)c1[nH+]cccc1NC(=O)CCCCC#N ZINC000593961719 347973052 /nfs/dbraw/zinc/97/30/52/347973052.db2.gz KXLJRYSXKJPVBA-UHFFFAOYSA-N 1 2 246.314 2.170 20 30 BEEDLO COc1cc[nH+]cc1NC(=O)CCCCC#N ZINC000593971120 347975148 /nfs/dbraw/zinc/97/51/48/347975148.db2.gz DTAKEVGFJSYISF-UHFFFAOYSA-N 1 2 233.271 2.113 20 30 BEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCCCC#N ZINC000594043941 347987762 /nfs/dbraw/zinc/98/77/62/347987762.db2.gz NHSCNEZBGVSDST-NSHDSACASA-N 1 2 248.330 2.164 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC3(CC3(F)F)C2)s1 ZINC000594609345 348081433 /nfs/dbraw/zinc/08/14/33/348081433.db2.gz SSCWVOBAMZZBSN-UHFFFAOYSA-N 1 2 240.278 2.461 20 30 BEEDLO CC(C)([NH2+]Cc1ccn[nH]1)c1cccc(C#N)c1 ZINC000594969321 348161350 /nfs/dbraw/zinc/16/13/50/348161350.db2.gz PFVSJTFAEQJVEM-UHFFFAOYSA-N 1 2 240.310 2.306 20 30 BEEDLO COC[C@H]1CC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595329506 348227639 /nfs/dbraw/zinc/22/76/39/348227639.db2.gz GWZMPQUOBBTVGL-GXTWGEPZSA-N 1 2 230.311 2.220 20 30 BEEDLO COC[C@H]1CC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595329506 348227640 /nfs/dbraw/zinc/22/76/40/348227640.db2.gz GWZMPQUOBBTVGL-GXTWGEPZSA-N 1 2 230.311 2.220 20 30 BEEDLO C[C@@]1(C#N)CCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000595424466 348246151 /nfs/dbraw/zinc/24/61/51/348246151.db2.gz IQFCKDJCAYJDMV-QWRGUYRKSA-N 1 2 244.285 2.036 20 30 BEEDLO C[C@@]1(C#N)CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000595424466 348246154 /nfs/dbraw/zinc/24/61/54/348246154.db2.gz IQFCKDJCAYJDMV-QWRGUYRKSA-N 1 2 244.285 2.036 20 30 BEEDLO CCc1nnc([C@@H](C)[NH+]2CCC(C)(C#N)CC2)[nH]1 ZINC000595433006 348248963 /nfs/dbraw/zinc/24/89/63/348248963.db2.gz XZPQFZRXCQTRSD-SNVBAGLBSA-N 1 2 247.346 2.054 20 30 BEEDLO CO[C@@H](C[NH+]1CC(C)(C#N)C1)C1CCCCC1 ZINC000595466904 348258620 /nfs/dbraw/zinc/25/86/20/348258620.db2.gz PNQOZBYPPLLVHU-ZDUSSCGKSA-N 1 2 236.359 2.427 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C2CC2)no1 ZINC000595530204 348272603 /nfs/dbraw/zinc/27/26/03/348272603.db2.gz OVITZDPLTQWVDU-JTQLQIEISA-N 1 2 219.288 2.334 20 30 BEEDLO CC[C@H](C[N@@H+]1CCCC(C)(C)[C@H]1C#N)OC ZINC000419303850 192119773 /nfs/dbraw/zinc/11/97/73/192119773.db2.gz INIDOORFHYZWEK-VXGBXAGGSA-N 1 2 224.348 2.426 20 30 BEEDLO CC[C@H](C[N@H+]1CCCC(C)(C)[C@H]1C#N)OC ZINC000419303850 192119775 /nfs/dbraw/zinc/11/97/75/192119775.db2.gz INIDOORFHYZWEK-VXGBXAGGSA-N 1 2 224.348 2.426 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cnc[nH]1 ZINC000595591178 348277471 /nfs/dbraw/zinc/27/74/71/348277471.db2.gz FZSUPHIIUSQBKR-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cnc[nH]1 ZINC000595591178 348277475 /nfs/dbraw/zinc/27/74/75/348277475.db2.gz FZSUPHIIUSQBKR-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1c[nH]cn1 ZINC000595591178 348277479 /nfs/dbraw/zinc/27/74/79/348277479.db2.gz FZSUPHIIUSQBKR-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1c[nH]cn1 ZINC000595591178 348277480 /nfs/dbraw/zinc/27/74/80/348277480.db2.gz FZSUPHIIUSQBKR-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO CC[N@H+](CCCC#N)[C@@H](C)C(=O)OC(C)(C)C ZINC000595595715 348293744 /nfs/dbraw/zinc/29/37/44/348293744.db2.gz CNYOKRPFMBHUJH-NSHDSACASA-N 1 2 240.347 2.342 20 30 BEEDLO CC[N@@H+](CCCC#N)[C@@H](C)C(=O)OC(C)(C)C ZINC000595595715 348293747 /nfs/dbraw/zinc/29/37/47/348293747.db2.gz CNYOKRPFMBHUJH-NSHDSACASA-N 1 2 240.347 2.342 20 30 BEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)o1 ZINC000595622848 348291185 /nfs/dbraw/zinc/29/11/85/348291185.db2.gz DVLUDXDDZRFREJ-LBPRGKRZSA-N 1 2 233.315 2.417 20 30 BEEDLO Cc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)c(C)o1 ZINC000595622848 348291187 /nfs/dbraw/zinc/29/11/87/348291187.db2.gz DVLUDXDDZRFREJ-LBPRGKRZSA-N 1 2 233.315 2.417 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H](OC)C1CCC1 ZINC000595503024 348263591 /nfs/dbraw/zinc/26/35/91/348263591.db2.gz YYZANAOSBKCWTG-CYBMUJFWSA-N 1 2 222.332 2.203 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H](OC)C1CCC1 ZINC000595503024 348263594 /nfs/dbraw/zinc/26/35/94/348263594.db2.gz YYZANAOSBKCWTG-CYBMUJFWSA-N 1 2 222.332 2.203 20 30 BEEDLO Cc1ccc2c(c1)C[N@@H+](CCC#N)CC2 ZINC000595658805 348298958 /nfs/dbraw/zinc/29/89/58/348298958.db2.gz WGFMRWQKQVRFAH-UHFFFAOYSA-N 1 2 200.285 2.267 20 30 BEEDLO Cc1ccc2c(c1)C[N@H+](CCC#N)CC2 ZINC000595658805 348298960 /nfs/dbraw/zinc/29/89/60/348298960.db2.gz WGFMRWQKQVRFAH-UHFFFAOYSA-N 1 2 200.285 2.267 20 30 BEEDLO COC1(CC[N@H+]([C@H](C)C#N)C2CC2)CCC1 ZINC000595710130 348322198 /nfs/dbraw/zinc/32/21/98/348322198.db2.gz NEEYEMFOMDHFIN-LLVKDONJSA-N 1 2 222.332 2.322 20 30 BEEDLO COC1(CC[N@@H+]([C@H](C)C#N)C2CC2)CCC1 ZINC000595710130 348322200 /nfs/dbraw/zinc/32/22/00/348322200.db2.gz NEEYEMFOMDHFIN-LLVKDONJSA-N 1 2 222.332 2.322 20 30 BEEDLO CC[N@H+](CCCCCn1cccn1)[C@H](C)C#N ZINC000595811804 348351273 /nfs/dbraw/zinc/35/12/73/348351273.db2.gz BGDSVXPFRBBEEZ-CYBMUJFWSA-N 1 2 234.347 2.287 20 30 BEEDLO CC[N@@H+](CCCCCn1cccn1)[C@H](C)C#N ZINC000595811804 348351274 /nfs/dbraw/zinc/35/12/74/348351274.db2.gz BGDSVXPFRBBEEZ-CYBMUJFWSA-N 1 2 234.347 2.287 20 30 BEEDLO CC[N@H+](CCCCCn1cccn1)[C@@H](C)C#N ZINC000595811805 348351281 /nfs/dbraw/zinc/35/12/81/348351281.db2.gz BGDSVXPFRBBEEZ-ZDUSSCGKSA-N 1 2 234.347 2.287 20 30 BEEDLO CC[N@@H+](CCCCCn1cccn1)[C@@H](C)C#N ZINC000595811805 348351284 /nfs/dbraw/zinc/35/12/84/348351284.db2.gz BGDSVXPFRBBEEZ-ZDUSSCGKSA-N 1 2 234.347 2.287 20 30 BEEDLO C[C@@H](C#N)[N@H+](CCCCCn1cccn1)C1CC1 ZINC000595721890 348328107 /nfs/dbraw/zinc/32/81/07/348328107.db2.gz XFJXCKZXNMEAKU-ZDUSSCGKSA-N 1 2 246.358 2.430 20 30 BEEDLO C[C@@H](C#N)[N@@H+](CCCCCn1cccn1)C1CC1 ZINC000595721890 348328108 /nfs/dbraw/zinc/32/81/08/348328108.db2.gz XFJXCKZXNMEAKU-ZDUSSCGKSA-N 1 2 246.358 2.430 20 30 BEEDLO COc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835470 348369079 /nfs/dbraw/zinc/36/90/79/348369079.db2.gz QTRNTBWJRURMMX-AWEZNQCLSA-N 1 2 230.311 2.431 20 30 BEEDLO COc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835470 348369082 /nfs/dbraw/zinc/36/90/82/348369082.db2.gz QTRNTBWJRURMMX-AWEZNQCLSA-N 1 2 230.311 2.431 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000595841081 348375150 /nfs/dbraw/zinc/37/51/50/348375150.db2.gz HIHNGAKJHZHJJZ-GFCCVEGCSA-N 1 2 231.324 2.355 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000595841081 348375152 /nfs/dbraw/zinc/37/51/52/348375152.db2.gz HIHNGAKJHZHJJZ-GFCCVEGCSA-N 1 2 231.324 2.355 20 30 BEEDLO C[C@@H](c1cccnc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841406 348376429 /nfs/dbraw/zinc/37/64/29/348376429.db2.gz VPHZNAZBSIAQGA-WCQYABFASA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1cccnc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841406 348376430 /nfs/dbraw/zinc/37/64/30/348376430.db2.gz VPHZNAZBSIAQGA-WCQYABFASA-N 1 2 215.300 2.378 20 30 BEEDLO Cc1nsc(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842891 348379219 /nfs/dbraw/zinc/37/92/19/348379219.db2.gz WCOZWBOPXWWZRH-GFCCVEGCSA-N 1 2 235.356 2.496 20 30 BEEDLO Cc1nsc(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842891 348379221 /nfs/dbraw/zinc/37/92/21/348379221.db2.gz WCOZWBOPXWWZRH-GFCCVEGCSA-N 1 2 235.356 2.496 20 30 BEEDLO CC[N@H+](CCC(=O)Nc1ccccc1)[C@@H](C)C#N ZINC000595813870 348353246 /nfs/dbraw/zinc/35/32/46/348353246.db2.gz XOBHPCNDRDYBRD-LBPRGKRZSA-N 1 2 245.326 2.249 20 30 BEEDLO CC[N@@H+](CCC(=O)Nc1ccccc1)[C@@H](C)C#N ZINC000595813870 348353249 /nfs/dbraw/zinc/35/32/49/348353249.db2.gz XOBHPCNDRDYBRD-LBPRGKRZSA-N 1 2 245.326 2.249 20 30 BEEDLO Cc1nc(CC[N@@H+]2CC[C@](C)(C#N)C2)cs1 ZINC000595845028 348354285 /nfs/dbraw/zinc/35/42/85/348354285.db2.gz XPWSXNHHALHLLR-GFCCVEGCSA-N 1 2 235.356 2.230 20 30 BEEDLO Cc1nc(CC[N@H+]2CC[C@](C)(C#N)C2)cs1 ZINC000595845028 348354286 /nfs/dbraw/zinc/35/42/86/348354286.db2.gz XPWSXNHHALHLLR-GFCCVEGCSA-N 1 2 235.356 2.230 20 30 BEEDLO CC[N@H+](CCC[C@H]1CCOC1)[C@@H](C)C#N ZINC000595818950 348359235 /nfs/dbraw/zinc/35/92/35/348359235.db2.gz QIGHKPZBLMAKMO-RYUDHWBXSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[N@@H+](CCC[C@H]1CCOC1)[C@@H](C)C#N ZINC000595818950 348359239 /nfs/dbraw/zinc/35/92/39/348359239.db2.gz QIGHKPZBLMAKMO-RYUDHWBXSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[N@H+](C[C@@H](OC)C1CCC1)[C@H](C)C#N ZINC000595820974 348362537 /nfs/dbraw/zinc/36/25/37/348362537.db2.gz ZEXLBVNUEZPANW-ZYHUDNBSSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@@H+](C[C@@H](OC)C1CCC1)[C@H](C)C#N ZINC000595820974 348362541 /nfs/dbraw/zinc/36/25/41/348362541.db2.gz ZEXLBVNUEZPANW-ZYHUDNBSSA-N 1 2 210.321 2.035 20 30 BEEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595827783 348364124 /nfs/dbraw/zinc/36/41/24/348364124.db2.gz QZZYOABRKHKWTH-QLFBSQMISA-N 1 2 242.322 2.220 20 30 BEEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595827783 348364126 /nfs/dbraw/zinc/36/41/26/348364126.db2.gz QZZYOABRKHKWTH-QLFBSQMISA-N 1 2 242.322 2.220 20 30 BEEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595827789 348364331 /nfs/dbraw/zinc/36/43/31/348364331.db2.gz QZZYOABRKHKWTH-SOUVJXGZSA-N 1 2 242.322 2.220 20 30 BEEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595827789 348364334 /nfs/dbraw/zinc/36/43/34/348364334.db2.gz QZZYOABRKHKWTH-SOUVJXGZSA-N 1 2 242.322 2.220 20 30 BEEDLO CC1(C)CCC[C@H](C[N@@H+]2CCO[C@@H](C#N)C2)C1 ZINC000535834022 323193083 /nfs/dbraw/zinc/19/30/83/323193083.db2.gz VVAKVLBIWWZONQ-STQMWFEESA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCC[C@H](C[N@H+]2CCO[C@@H](C#N)C2)C1 ZINC000535834022 323193084 /nfs/dbraw/zinc/19/30/84/323193084.db2.gz VVAKVLBIWWZONQ-STQMWFEESA-N 1 2 236.359 2.427 20 30 BEEDLO CCCn1nccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000597080901 348658185 /nfs/dbraw/zinc/65/81/85/348658185.db2.gz VWBOSJXPDFGWFO-AWEZNQCLSA-N 1 2 246.358 2.419 20 30 BEEDLO CCCn1nccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000597080901 348658187 /nfs/dbraw/zinc/65/81/87/348658187.db2.gz VWBOSJXPDFGWFO-AWEZNQCLSA-N 1 2 246.358 2.419 20 30 BEEDLO CCc1ncc(C[NH+]2CC(CC#N)C2)s1 ZINC000597193614 348671530 /nfs/dbraw/zinc/67/15/30/348671530.db2.gz ILIFWJVWJNADMZ-UHFFFAOYSA-N 1 2 221.329 2.051 20 30 BEEDLO Cc1ccc(NC(=O)N2CC(CC#N)C2)c(C)[nH+]1 ZINC000596789664 348622380 /nfs/dbraw/zinc/62/23/80/348622380.db2.gz DCDPYKAWUFYNSF-UHFFFAOYSA-N 1 2 244.298 2.076 20 30 BEEDLO N#CCC1C[NH+](Cc2nc3c(s2)CCCC3)C1 ZINC000597203528 348676944 /nfs/dbraw/zinc/67/69/44/348676944.db2.gz JNXBADIEQLCVMF-UHFFFAOYSA-N 1 2 247.367 2.367 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2[nH]nc3ccccc32)C1 ZINC000597229102 348696727 /nfs/dbraw/zinc/69/67/27/348696727.db2.gz JAKSNQWOXWXUSM-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2[nH]nc3ccccc32)C1 ZINC000597229102 348696732 /nfs/dbraw/zinc/69/67/32/348696732.db2.gz JAKSNQWOXWXUSM-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000597229102 348696736 /nfs/dbraw/zinc/69/67/36/348696736.db2.gz JAKSNQWOXWXUSM-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000597229102 348696739 /nfs/dbraw/zinc/69/67/39/348696739.db2.gz JAKSNQWOXWXUSM-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000597229604 348697543 /nfs/dbraw/zinc/69/75/43/348697543.db2.gz NCOZUAPQJRKYGF-LBPRGKRZSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000597229604 348697548 /nfs/dbraw/zinc/69/75/48/348697548.db2.gz NCOZUAPQJRKYGF-LBPRGKRZSA-N 1 2 204.273 2.324 20 30 BEEDLO CCCn1nccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597232666 348699416 /nfs/dbraw/zinc/69/94/16/348699416.db2.gz VBBOYONAYMFATA-ZDUSSCGKSA-N 1 2 232.331 2.029 20 30 BEEDLO CCCn1nccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232666 348699419 /nfs/dbraw/zinc/69/94/19/348699419.db2.gz VBBOYONAYMFATA-ZDUSSCGKSA-N 1 2 232.331 2.029 20 30 BEEDLO COc1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597231591 348699852 /nfs/dbraw/zinc/69/98/52/348699852.db2.gz ZLUOZSMKMQNUTD-AWEZNQCLSA-N 1 2 230.311 2.431 20 30 BEEDLO COc1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597231591 348699855 /nfs/dbraw/zinc/69/98/55/348699855.db2.gz ZLUOZSMKMQNUTD-AWEZNQCLSA-N 1 2 230.311 2.431 20 30 BEEDLO C[C@H](NC(=O)CCCCCC#N)c1[nH+]ccn1C ZINC000598465034 348977978 /nfs/dbraw/zinc/97/79/78/348977978.db2.gz NWTXNMIIJNLBCS-NSHDSACASA-N 1 2 248.330 2.071 20 30 BEEDLO Cc1cc(C)c(NC(=O)[C@@H](C)CC#N)c(C)[nH+]1 ZINC000598805252 349046741 /nfs/dbraw/zinc/04/67/41/349046741.db2.gz VRCSFMCATDPOOZ-QMMMGPOBSA-N 1 2 231.299 2.495 20 30 BEEDLO CCOc1cncc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000598672590 349019821 /nfs/dbraw/zinc/01/98/21/349019821.db2.gz BQUANBCLDMUQKD-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO CCOc1cncc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000598672590 349019824 /nfs/dbraw/zinc/01/98/24/349019824.db2.gz BQUANBCLDMUQKD-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO CCOc1cncc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000598677960 349020927 /nfs/dbraw/zinc/02/09/27/349020927.db2.gz DBMQJRZRJKAIBB-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO CCOc1cncc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000598677960 349020931 /nfs/dbraw/zinc/02/09/31/349020931.db2.gz DBMQJRZRJKAIBB-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000599305268 349143456 /nfs/dbraw/zinc/14/34/56/349143456.db2.gz WYTGIXJQFGOLAL-GASCZTMLSA-N 1 2 242.322 2.230 20 30 BEEDLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000599305268 349143458 /nfs/dbraw/zinc/14/34/58/349143458.db2.gz WYTGIXJQFGOLAL-GASCZTMLSA-N 1 2 242.322 2.230 20 30 BEEDLO Cc1ccc(C[N@@H+]2CCOCC23CC3)cc1C#N ZINC000599402770 349172898 /nfs/dbraw/zinc/17/28/98/349172898.db2.gz FQDZDNBPTSTQBA-UHFFFAOYSA-N 1 2 242.322 2.232 20 30 BEEDLO Cc1ccc(C[N@H+]2CCOCC23CC3)cc1C#N ZINC000599402770 349172902 /nfs/dbraw/zinc/17/29/02/349172902.db2.gz FQDZDNBPTSTQBA-UHFFFAOYSA-N 1 2 242.322 2.232 20 30 BEEDLO N#CC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000599433616 349174136 /nfs/dbraw/zinc/17/41/36/349174136.db2.gz JCUZQKNCLFROGI-UHFFFAOYSA-N 1 2 244.338 2.317 20 30 BEEDLO N#CC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000599433616 349174140 /nfs/dbraw/zinc/17/41/40/349174140.db2.gz JCUZQKNCLFROGI-UHFFFAOYSA-N 1 2 244.338 2.317 20 30 BEEDLO C=CCC[N@@H+]1CCc2occc2[C@@H]1C(=O)OCC ZINC000599544794 349214226 /nfs/dbraw/zinc/21/42/26/349214226.db2.gz LNRLFBDUBWFCNC-CYBMUJFWSA-N 1 2 249.310 2.318 20 30 BEEDLO C=CCC[N@H+]1CCc2occc2[C@@H]1C(=O)OCC ZINC000599544794 349214230 /nfs/dbraw/zinc/21/42/30/349214230.db2.gz LNRLFBDUBWFCNC-CYBMUJFWSA-N 1 2 249.310 2.318 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000599643567 349239541 /nfs/dbraw/zinc/23/95/41/349239541.db2.gz NWZQQYAGIYOXCH-AWEZNQCLSA-N 1 2 248.301 2.119 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000599643567 349239543 /nfs/dbraw/zinc/23/95/43/349239543.db2.gz NWZQQYAGIYOXCH-AWEZNQCLSA-N 1 2 248.301 2.119 20 30 BEEDLO COc1cccc2c1C[N@@H+](CCCC#N)C2 ZINC000599648011 349240353 /nfs/dbraw/zinc/24/03/53/349240353.db2.gz XUAAGYKDCCGAHC-UHFFFAOYSA-N 1 2 216.284 2.315 20 30 BEEDLO COc1cccc2c1C[N@H+](CCCC#N)C2 ZINC000599648011 349240349 /nfs/dbraw/zinc/24/03/49/349240349.db2.gz XUAAGYKDCCGAHC-UHFFFAOYSA-N 1 2 216.284 2.315 20 30 BEEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCCC#N ZINC000599653921 349235454 /nfs/dbraw/zinc/23/54/54/349235454.db2.gz XTTOILITEJZIBK-UHFFFAOYSA-N 1 2 226.320 2.000 20 30 BEEDLO C#C[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000185960438 349383281 /nfs/dbraw/zinc/38/32/81/349383281.db2.gz ADMNWWLFYACBEO-QMMMGPOBSA-N 1 2 201.273 2.096 20 30 BEEDLO C=C[C@@H]([NH2+][C@H]1CC[C@H](CC)CC1)C(=O)OC ZINC000390778389 350081545 /nfs/dbraw/zinc/08/15/45/350081545.db2.gz HGCYYBZCGWLZQF-IJLUTSLNSA-N 1 2 225.332 2.272 20 30 BEEDLO C[C@H]1C[NH+](Cc2cccc(C#N)c2F)C[C@H](C)O1 ZINC000219508284 350129515 /nfs/dbraw/zinc/12/95/15/350129515.db2.gz XWGAZPWCTQOFKS-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C=CC[N@@H+](C)Cc1noc2c1CCCC2 ZINC000127144733 490351863 /nfs/dbraw/zinc/35/18/63/490351863.db2.gz DLTAZYIQCFNZRW-UHFFFAOYSA-N 1 2 206.289 2.171 20 30 BEEDLO C=CC[N@H+](C)Cc1noc2c1CCCC2 ZINC000127144733 490351868 /nfs/dbraw/zinc/35/18/68/490351868.db2.gz DLTAZYIQCFNZRW-UHFFFAOYSA-N 1 2 206.289 2.171 20 30 BEEDLO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)(F)F ZINC000389459029 351170340 /nfs/dbraw/zinc/17/03/40/351170340.db2.gz AVNPAJZZAXIVKZ-QMMMGPOBSA-N 1 2 227.258 2.030 20 30 BEEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)cc(OC)c1 ZINC000271140055 351404415 /nfs/dbraw/zinc/40/44/15/351404415.db2.gz UXGGPPXOOAGZKM-LLVKDONJSA-N 1 2 248.326 2.295 20 30 BEEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)cc(OC)c1 ZINC000271140055 351404421 /nfs/dbraw/zinc/40/44/21/351404421.db2.gz UXGGPPXOOAGZKM-LLVKDONJSA-N 1 2 248.326 2.295 20 30 BEEDLO Cc1cc(NC(=O)N(C)C[C@@H](C)C#N)cc[nH+]1 ZINC000271137764 351404540 /nfs/dbraw/zinc/40/45/40/351404540.db2.gz PBQAWCCYUNLPDW-VIFPVBQESA-N 1 2 232.287 2.013 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000271148395 351405828 /nfs/dbraw/zinc/40/58/28/351405828.db2.gz ZTXDEFUSVGWMHX-NSHDSACASA-N 1 2 234.347 2.230 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000271148395 351405831 /nfs/dbraw/zinc/40/58/31/351405831.db2.gz ZTXDEFUSVGWMHX-NSHDSACASA-N 1 2 234.347 2.230 20 30 BEEDLO C#CCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000271000571 351393883 /nfs/dbraw/zinc/39/38/83/351393883.db2.gz GDWHPOMEICOEKF-UHFFFAOYSA-N 1 2 227.311 2.211 20 30 BEEDLO C#CCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000271000571 351393891 /nfs/dbraw/zinc/39/38/91/351393891.db2.gz GDWHPOMEICOEKF-UHFFFAOYSA-N 1 2 227.311 2.211 20 30 BEEDLO CC[N@H+](CCC#N)Cc1sccc1OC ZINC000271052378 351398174 /nfs/dbraw/zinc/39/81/74/351398174.db2.gz WYTSQSWLTTZJRY-UHFFFAOYSA-N 1 2 224.329 2.492 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1sccc1OC ZINC000271052378 351398178 /nfs/dbraw/zinc/39/81/78/351398178.db2.gz WYTSQSWLTTZJRY-UHFFFAOYSA-N 1 2 224.329 2.492 20 30 BEEDLO COCc1ccc(C[N@H+](C)C[C@@H](C)C#N)o1 ZINC000271125656 351403303 /nfs/dbraw/zinc/40/33/03/351403303.db2.gz KKNYEUYJXNCUSD-JTQLQIEISA-N 1 2 222.288 2.017 20 30 BEEDLO COCc1ccc(C[N@@H+](C)C[C@@H](C)C#N)o1 ZINC000271125656 351403308 /nfs/dbraw/zinc/40/33/08/351403308.db2.gz KKNYEUYJXNCUSD-JTQLQIEISA-N 1 2 222.288 2.017 20 30 BEEDLO C[C@H]1C[C@@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000271206813 351408881 /nfs/dbraw/zinc/40/88/81/351408881.db2.gz KNDNTSDBDJBXDW-WKOQODOHSA-N 1 2 219.284 2.379 20 30 BEEDLO C[C@@H]1C[C@@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000271206805 351408955 /nfs/dbraw/zinc/40/89/55/351408955.db2.gz KNDNTSDBDJBXDW-AUNFNBNVSA-N 1 2 219.284 2.379 20 30 BEEDLO Oc1cccc(/C=[NH+]/CC[C@H]2CCCCO2)c1O ZINC000272357249 351469411 /nfs/dbraw/zinc/46/94/11/351469411.db2.gz DTGITRILIVDQRP-JXCQQFQQSA-N 1 2 249.310 2.476 20 30 BEEDLO C=CCSCCNc1[nH+]cccc1OC ZINC000231955732 351481531 /nfs/dbraw/zinc/48/15/31/351481531.db2.gz ZCBZDCPLFNWMML-UHFFFAOYSA-N 1 2 224.329 2.421 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ncc(COC)s1 ZINC000336727850 351547161 /nfs/dbraw/zinc/54/71/61/351547161.db2.gz GWHHIYUWKHKOLI-SECBINFHSA-N 1 2 239.344 2.071 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(O)c1OC ZINC000273876497 351550420 /nfs/dbraw/zinc/55/04/20/351550420.db2.gz PVVFKAXZPXKUTA-LLVKDONJSA-N 1 2 234.299 2.183 20 30 BEEDLO CC[C@H](C[N@@H+]1Cc2cccc(C#N)c2C1)OC ZINC000405055605 351556611 /nfs/dbraw/zinc/55/66/11/351556611.db2.gz DZMMSTJXUMMAQS-CYBMUJFWSA-N 1 2 230.311 2.299 20 30 BEEDLO CC[C@H](C[N@H+]1Cc2cccc(C#N)c2C1)OC ZINC000405055605 351556614 /nfs/dbraw/zinc/55/66/14/351556614.db2.gz DZMMSTJXUMMAQS-CYBMUJFWSA-N 1 2 230.311 2.299 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)no1 ZINC000278759461 351781555 /nfs/dbraw/zinc/78/15/55/351781555.db2.gz XSJXOIZNJKMSDS-JQWIXIFHSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)no1 ZINC000278759461 351781557 /nfs/dbraw/zinc/78/15/57/351781557.db2.gz XSJXOIZNJKMSDS-JQWIXIFHSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)no1 ZINC000278759463 351781590 /nfs/dbraw/zinc/78/15/90/351781590.db2.gz XSJXOIZNJKMSDS-PWSUYJOCSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)no1 ZINC000278759463 351781592 /nfs/dbraw/zinc/78/15/92/351781592.db2.gz XSJXOIZNJKMSDS-PWSUYJOCSA-N 1 2 219.288 2.107 20 30 BEEDLO CC(C)=CCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000288599916 352156657 /nfs/dbraw/zinc/15/66/57/352156657.db2.gz MOTAPXNVNNQIBI-NSHDSACASA-N 1 2 228.336 2.303 20 30 BEEDLO CC(C)=CCO[NH+]=C(N)Cc1csc(C)n1 ZINC000288771917 352164155 /nfs/dbraw/zinc/16/41/55/352164155.db2.gz ZUZUTVJLAXQMDL-UHFFFAOYSA-N 1 2 239.344 2.249 20 30 BEEDLO COc1cc[nH+]cc1CON=C1CCC1 ZINC000288750893 352164473 /nfs/dbraw/zinc/16/44/73/352164473.db2.gz YDCFLVVFLWTSPR-UHFFFAOYSA-N 1 2 206.245 2.147 20 30 BEEDLO Cc1cc(NC(=O)CCCC#N)cc[nH+]1 ZINC000290920408 352249826 /nfs/dbraw/zinc/24/98/26/352249826.db2.gz HLFRQOFFJMVLQQ-UHFFFAOYSA-N 1 2 203.245 2.022 20 30 BEEDLO C=CC[N@H+](CCC#N)CCc1ccccn1 ZINC000292350105 352316131 /nfs/dbraw/zinc/31/61/31/352316131.db2.gz XKAMFPVHVORNIT-UHFFFAOYSA-N 1 2 215.300 2.026 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCc1ccccn1 ZINC000292350105 352316134 /nfs/dbraw/zinc/31/61/34/352316134.db2.gz XKAMFPVHVORNIT-UHFFFAOYSA-N 1 2 215.300 2.026 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(C)cc1 ZINC000292388866 352318397 /nfs/dbraw/zinc/31/83/97/352318397.db2.gz ZPEQCWTWZZJJIM-OAHLLOKOSA-N 1 2 244.338 2.430 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)c1ccc(C)cc1 ZINC000292388866 352318398 /nfs/dbraw/zinc/31/83/98/352318398.db2.gz ZPEQCWTWZZJJIM-OAHLLOKOSA-N 1 2 244.338 2.430 20 30 BEEDLO N#CCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000411363483 191179758 /nfs/dbraw/zinc/17/97/58/191179758.db2.gz DQAMDGLHHCICOC-UHFFFAOYSA-N 1 2 204.248 2.318 20 30 BEEDLO Cc1cnc([C@@H]([NH2+]CCC#N)C2CC2)s1 ZINC000411517661 191191323 /nfs/dbraw/zinc/19/13/23/191191323.db2.gz NDMQGQFIWVFAPF-JTQLQIEISA-N 1 2 221.329 2.406 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C(C)C)no1)C1CC1 ZINC000271370166 166348977 /nfs/dbraw/zinc/34/89/77/166348977.db2.gz GQBYGBHTVXWKHS-UHFFFAOYSA-N 1 2 221.304 2.343 20 30 BEEDLO C=CC[N@H+](Cc1nc(C(C)C)no1)C1CC1 ZINC000271370166 166348980 /nfs/dbraw/zinc/34/89/80/166348980.db2.gz GQBYGBHTVXWKHS-UHFFFAOYSA-N 1 2 221.304 2.343 20 30 BEEDLO C=CC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157714770 166356423 /nfs/dbraw/zinc/35/64/23/166356423.db2.gz ZYEZDFUBYWSRRE-SNVBAGLBSA-N 1 2 209.314 2.307 20 30 BEEDLO C=CC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157714770 166356426 /nfs/dbraw/zinc/35/64/26/166356426.db2.gz ZYEZDFUBYWSRRE-SNVBAGLBSA-N 1 2 209.314 2.307 20 30 BEEDLO CCn1ccnc1C[NH+]1CCC(C)(C#N)CC1 ZINC000334468420 353116259 /nfs/dbraw/zinc/11/62/59/353116259.db2.gz GBBJPYMLYPXCNB-UHFFFAOYSA-N 1 2 232.331 2.029 20 30 BEEDLO N#CCC[NH2+]Cc1ccc(Cl)s1 ZINC000020200077 188005802 /nfs/dbraw/zinc/00/58/02/188005802.db2.gz WCUYULFHXUZFGD-UHFFFAOYSA-N 1 2 200.694 2.405 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)s1 ZINC000271122789 188025064 /nfs/dbraw/zinc/02/50/64/188025064.db2.gz KYUUQAUFXCUOIE-OLZOCXBDSA-N 1 2 248.351 2.373 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)s1 ZINC000271122789 188025066 /nfs/dbraw/zinc/02/50/66/188025066.db2.gz KYUUQAUFXCUOIE-OLZOCXBDSA-N 1 2 248.351 2.373 20 30 BEEDLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000280477786 188031940 /nfs/dbraw/zinc/03/19/40/188031940.db2.gz NULQJPCFKLTZTJ-ZDUSSCGKSA-N 1 2 248.326 2.398 20 30 BEEDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000280477786 188031941 /nfs/dbraw/zinc/03/19/41/188031941.db2.gz NULQJPCFKLTZTJ-ZDUSSCGKSA-N 1 2 248.326 2.398 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccncc1F ZINC000336757852 353163460 /nfs/dbraw/zinc/16/34/60/353163460.db2.gz ZDZBGIFQKQTUQZ-VIFPVBQESA-N 1 2 219.263 2.175 20 30 BEEDLO CCc1cnc(C[NH2+][C@@H](CC)CC#N)s1 ZINC000336762866 353210408 /nfs/dbraw/zinc/21/04/08/353210408.db2.gz OEVRLSAGWSQSBL-VIFPVBQESA-N 1 2 223.345 2.487 20 30 BEEDLO CCc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331355869 353245883 /nfs/dbraw/zinc/24/58/83/353245883.db2.gz REHBEUOCQITTFB-ZWNOBZJWSA-N 1 2 233.315 2.327 20 30 BEEDLO C#CC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126404903 353249627 /nfs/dbraw/zinc/24/96/27/353249627.db2.gz ZVVLKXMJTVYIBY-AWEZNQCLSA-N 1 2 215.296 2.002 20 30 BEEDLO C#CC[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126404903 353249630 /nfs/dbraw/zinc/24/96/30/353249630.db2.gz ZVVLKXMJTVYIBY-AWEZNQCLSA-N 1 2 215.296 2.002 20 30 BEEDLO C#CC[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126900310 353254253 /nfs/dbraw/zinc/25/42/53/353254253.db2.gz JBLYEZPRBYATSJ-BXUZGUMPSA-N 1 2 233.286 2.221 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126900310 353254257 /nfs/dbraw/zinc/25/42/57/353254257.db2.gz JBLYEZPRBYATSJ-BXUZGUMPSA-N 1 2 233.286 2.221 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000073172070 353281528 /nfs/dbraw/zinc/28/15/28/353281528.db2.gz SYCFQPISOVDMKF-UHFFFAOYSA-N 1 2 238.674 2.313 20 30 BEEDLO C#CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000073172070 353281531 /nfs/dbraw/zinc/28/15/31/353281531.db2.gz SYCFQPISOVDMKF-UHFFFAOYSA-N 1 2 238.674 2.313 20 30 BEEDLO C=C(C)C[N@@H+](CC)CC(=O)c1cccn1C ZINC000172538887 188252256 /nfs/dbraw/zinc/25/22/56/188252256.db2.gz SFXHJSPHLANXBJ-UHFFFAOYSA-N 1 2 220.316 2.106 20 30 BEEDLO C=C(C)C[N@H+](CC)CC(=O)c1cccn1C ZINC000172538887 188252257 /nfs/dbraw/zinc/25/22/57/188252257.db2.gz SFXHJSPHLANXBJ-UHFFFAOYSA-N 1 2 220.316 2.106 20 30 BEEDLO C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000267771808 188260915 /nfs/dbraw/zinc/26/09/15/188260915.db2.gz GQAJKNJNPNBBQX-CQSZACIVSA-N 1 2 245.322 2.335 20 30 BEEDLO C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC000267771808 188260917 /nfs/dbraw/zinc/26/09/17/188260917.db2.gz GQAJKNJNPNBBQX-CQSZACIVSA-N 1 2 245.322 2.335 20 30 BEEDLO C=CCCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267221656 188261113 /nfs/dbraw/zinc/26/11/13/188261113.db2.gz ULYCCWJPRBATLB-GFCCVEGCSA-N 1 2 247.342 2.472 20 30 BEEDLO C=CCC1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCC1 ZINC000276515733 188265943 /nfs/dbraw/zinc/26/59/43/188265943.db2.gz DDYMSEKDWFSTED-LBPRGKRZSA-N 1 2 247.342 2.134 20 30 BEEDLO C#CC[N@@H+](Cc1ccnn1C(C)C)C1CC1 ZINC000279776528 188267620 /nfs/dbraw/zinc/26/76/20/188267620.db2.gz BQKXMUKOPKKMGM-UHFFFAOYSA-N 1 2 217.316 2.062 20 30 BEEDLO C#CC[N@H+](Cc1ccnn1C(C)C)C1CC1 ZINC000279776528 188267622 /nfs/dbraw/zinc/26/76/22/188267622.db2.gz BQKXMUKOPKKMGM-UHFFFAOYSA-N 1 2 217.316 2.062 20 30 BEEDLO C#CC[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000075785109 353324894 /nfs/dbraw/zinc/32/48/94/353324894.db2.gz YEGNYYIPECPPQE-UKRRQHHQSA-N 1 2 229.323 2.390 20 30 BEEDLO C#CC[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000075785109 353324896 /nfs/dbraw/zinc/32/48/96/353324896.db2.gz YEGNYYIPECPPQE-UKRRQHHQSA-N 1 2 229.323 2.390 20 30 BEEDLO C=CCC[C@@H]([NH2+]CC(=O)OC)c1ccccc1 ZINC000180048532 353384420 /nfs/dbraw/zinc/38/44/20/353384420.db2.gz ICVAOOAKHUECNY-CYBMUJFWSA-N 1 2 233.311 2.457 20 30 BEEDLO C=CC[NH+](CC=C)Cc1nccc(OC)c1OC ZINC000190377267 353397515 /nfs/dbraw/zinc/39/75/15/353397515.db2.gz MHWLPWXUKHWTBN-UHFFFAOYSA-N 1 2 248.326 2.273 20 30 BEEDLO C=CCN(CC=C)Cc1[nH+]ccc(OC)c1OC ZINC000190377267 353397518 /nfs/dbraw/zinc/39/75/18/353397518.db2.gz MHWLPWXUKHWTBN-UHFFFAOYSA-N 1 2 248.326 2.273 20 30 BEEDLO C=CC[N@H+]1CCC=C(Br)C1 ZINC000281644439 353446385 /nfs/dbraw/zinc/44/63/85/353446385.db2.gz MSWISDYJSZOJSR-UHFFFAOYSA-N 1 2 202.095 2.157 20 30 BEEDLO C=CC[N@@H+]1CCC=C(Br)C1 ZINC000281644439 353446389 /nfs/dbraw/zinc/44/63/89/353446389.db2.gz MSWISDYJSZOJSR-UHFFFAOYSA-N 1 2 202.095 2.157 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1ncnn1CC(C)C ZINC000182629407 353486945 /nfs/dbraw/zinc/48/69/45/353486945.db2.gz KXIUDZPLWITKAZ-UHFFFAOYSA-N 1 2 236.363 2.332 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1ncnn1CC(C)C ZINC000182629407 353486946 /nfs/dbraw/zinc/48/69/46/353486946.db2.gz KXIUDZPLWITKAZ-UHFFFAOYSA-N 1 2 236.363 2.332 20 30 BEEDLO C=CC[N@H+](CCc1ccccc1)Cc1cnn[nH]1 ZINC000283840607 353512643 /nfs/dbraw/zinc/51/26/43/353512643.db2.gz CLIORKDZGPZRKF-UHFFFAOYSA-N 1 2 242.326 2.035 20 30 BEEDLO C=CC[N@@H+](CCc1ccccc1)Cc1cnn[nH]1 ZINC000283840607 353512650 /nfs/dbraw/zinc/51/26/50/353512650.db2.gz CLIORKDZGPZRKF-UHFFFAOYSA-N 1 2 242.326 2.035 20 30 BEEDLO C=CC[N@H+](CCc1ccccc1)Cc1c[nH]nn1 ZINC000283840607 353512652 /nfs/dbraw/zinc/51/26/52/353512652.db2.gz CLIORKDZGPZRKF-UHFFFAOYSA-N 1 2 242.326 2.035 20 30 BEEDLO C=CC[N@@H+](CCc1ccccc1)Cc1c[nH]nn1 ZINC000283840607 353512655 /nfs/dbraw/zinc/51/26/55/353512655.db2.gz CLIORKDZGPZRKF-UHFFFAOYSA-N 1 2 242.326 2.035 20 30 BEEDLO C=CC[N@H+](CCc1ccccc1)Cc1cn[nH]n1 ZINC000283840607 353512659 /nfs/dbraw/zinc/51/26/59/353512659.db2.gz CLIORKDZGPZRKF-UHFFFAOYSA-N 1 2 242.326 2.035 20 30 BEEDLO C=CC[N@@H+](CCc1ccccc1)Cc1cn[nH]n1 ZINC000283840607 353512661 /nfs/dbraw/zinc/51/26/61/353512661.db2.gz CLIORKDZGPZRKF-UHFFFAOYSA-N 1 2 242.326 2.035 20 30 BEEDLO C[C@H]([NH2+]CCCC#N)c1nc(C(C)(C)C)no1 ZINC000183122843 353515005 /nfs/dbraw/zinc/51/50/05/353515005.db2.gz KYMGLDHMAHALIN-VIFPVBQESA-N 1 2 236.319 2.321 20 30 BEEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)[C@H](C)CO1 ZINC000191894922 353519751 /nfs/dbraw/zinc/51/97/51/353519751.db2.gz LMCYHJLTBBRYIO-ZIAGYGMSSA-N 1 2 229.323 2.147 20 30 BEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)[C@H](C)CO1 ZINC000191894922 353519755 /nfs/dbraw/zinc/51/97/55/353519755.db2.gz LMCYHJLTBBRYIO-ZIAGYGMSSA-N 1 2 229.323 2.147 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1CC#Cc1ccccc1 ZINC000192075397 353534682 /nfs/dbraw/zinc/53/46/82/353534682.db2.gz CBMVMKIQJKXJRH-KGLIPLIRSA-N 1 2 229.323 2.147 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1CC#Cc1ccccc1 ZINC000192075397 353534685 /nfs/dbraw/zinc/53/46/85/353534685.db2.gz CBMVMKIQJKXJRH-KGLIPLIRSA-N 1 2 229.323 2.147 20 30 BEEDLO C[C@H]1OCC[N@H+](CC#Cc2ccccc2)[C@H]1C ZINC000192075412 353535365 /nfs/dbraw/zinc/53/53/65/353535365.db2.gz CBMVMKIQJKXJRH-UONOGXRCSA-N 1 2 229.323 2.147 20 30 BEEDLO C[C@H]1OCC[N@@H+](CC#Cc2ccccc2)[C@H]1C ZINC000192075412 353535368 /nfs/dbraw/zinc/53/53/68/353535368.db2.gz CBMVMKIQJKXJRH-UONOGXRCSA-N 1 2 229.323 2.147 20 30 BEEDLO C#CC[N@@H+](Cc1cnn(C)c1)Cc1ccccc1 ZINC000285708824 353540535 /nfs/dbraw/zinc/54/05/35/353540535.db2.gz OSERBKOKSADCCW-UHFFFAOYSA-N 1 2 239.322 2.056 20 30 BEEDLO C#CC[N@H+](Cc1cnn(C)c1)Cc1ccccc1 ZINC000285708824 353540536 /nfs/dbraw/zinc/54/05/36/353540536.db2.gz OSERBKOKSADCCW-UHFFFAOYSA-N 1 2 239.322 2.056 20 30 BEEDLO N#Cc1csc(C[NH+]2CCCCC2)n1 ZINC000336439595 188412608 /nfs/dbraw/zinc/41/26/08/188412608.db2.gz UINITNDFFYIHRN-UHFFFAOYSA-N 1 2 207.302 2.001 20 30 BEEDLO C=C(C)C[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000289691260 353633453 /nfs/dbraw/zinc/63/34/53/353633453.db2.gz XNERRHCGAAYABU-SNVBAGLBSA-N 1 2 239.319 2.221 20 30 BEEDLO C#CC[N@H+](CC(=O)OC)[C@H](CC)c1ccccc1 ZINC000136115052 353609926 /nfs/dbraw/zinc/60/99/26/353609926.db2.gz AJYDFDDARXVTHF-CQSZACIVSA-N 1 2 245.322 2.246 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC)[C@H](CC)c1ccccc1 ZINC000136115052 353609930 /nfs/dbraw/zinc/60/99/30/353609930.db2.gz AJYDFDDARXVTHF-CQSZACIVSA-N 1 2 245.322 2.246 20 30 BEEDLO CC#CC[N@@H+](C)Cc1c(C)cc(C)nc1OC ZINC000293135664 353735016 /nfs/dbraw/zinc/73/50/16/353735016.db2.gz NEWJWWYKVNJOLJ-UHFFFAOYSA-N 1 2 232.327 2.162 20 30 BEEDLO CC#CC[N@H+](C)Cc1c(C)cc(C)nc1OC ZINC000293135664 353735019 /nfs/dbraw/zinc/73/50/19/353735019.db2.gz NEWJWWYKVNJOLJ-UHFFFAOYSA-N 1 2 232.327 2.162 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000292999706 353730851 /nfs/dbraw/zinc/73/08/51/353730851.db2.gz CTHFWBKSPMAOSV-UHFFFAOYSA-N 1 2 231.343 2.453 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000292999706 353730853 /nfs/dbraw/zinc/73/08/53/353730853.db2.gz CTHFWBKSPMAOSV-UHFFFAOYSA-N 1 2 231.343 2.453 20 30 BEEDLO C=CCC(C)(C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000293863529 353762324 /nfs/dbraw/zinc/76/23/24/353762324.db2.gz WFTWKZOHMNJLFM-UHFFFAOYSA-N 1 2 235.331 2.061 20 30 BEEDLO C=CCC(C)(C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000293871099 353762651 /nfs/dbraw/zinc/76/26/51/353762651.db2.gz WUDGZUXVCIIVSG-UHFFFAOYSA-N 1 2 221.304 2.050 20 30 BEEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000294040642 353767071 /nfs/dbraw/zinc/76/70/71/353767071.db2.gz IPFMAXAZTLMCJP-BDAKNGLRSA-N 1 2 211.696 2.231 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000293290308 353739597 /nfs/dbraw/zinc/73/95/97/353739597.db2.gz VYFWLHBZBCTNSP-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000293290308 353739599 /nfs/dbraw/zinc/73/95/99/353739599.db2.gz VYFWLHBZBCTNSP-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)NCc1[nH+]ccn1CC ZINC000295806302 353814824 /nfs/dbraw/zinc/81/48/24/353814824.db2.gz SHRSJXXZFLHRDM-LLVKDONJSA-N 1 2 235.331 2.122 20 30 BEEDLO C=CC[N@@H+](C)Cc1csc(Cl)n1 ZINC000295879037 353815392 /nfs/dbraw/zinc/81/53/92/353815392.db2.gz ZPDSIHMONVYMLQ-UHFFFAOYSA-N 1 2 202.710 2.414 20 30 BEEDLO C=CC[N@H+](C)Cc1csc(Cl)n1 ZINC000295879037 353815396 /nfs/dbraw/zinc/81/53/96/353815396.db2.gz ZPDSIHMONVYMLQ-UHFFFAOYSA-N 1 2 202.710 2.414 20 30 BEEDLO C=CC[N@H+](CCc1ccco1)Cc1cnns1 ZINC000294893105 353791990 /nfs/dbraw/zinc/79/19/90/353791990.db2.gz DCPFANAQICTBEW-UHFFFAOYSA-N 1 2 249.339 2.362 20 30 BEEDLO C=CC[N@@H+](CCc1ccco1)Cc1cnns1 ZINC000294893105 353791993 /nfs/dbraw/zinc/79/19/93/353791993.db2.gz DCPFANAQICTBEW-UHFFFAOYSA-N 1 2 249.339 2.362 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000185888946 353858907 /nfs/dbraw/zinc/85/89/07/353858907.db2.gz XTIAFGOUUPZEHT-CYBMUJFWSA-N 1 2 249.358 2.334 20 30 BEEDLO C#CC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000138407641 353871643 /nfs/dbraw/zinc/87/16/43/353871643.db2.gz DQNWQVFPJPTBDG-GXTWGEPZSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000138407641 353871647 /nfs/dbraw/zinc/87/16/47/353871647.db2.gz DQNWQVFPJPTBDG-GXTWGEPZSA-N 1 2 215.296 2.082 20 30 BEEDLO C=CCCc1noc(C[N@@H+](CC)C2CC2)n1 ZINC000297296216 353848118 /nfs/dbraw/zinc/84/81/18/353848118.db2.gz MCEWVJFJBOGXLO-UHFFFAOYSA-N 1 2 221.304 2.173 20 30 BEEDLO C=CCCc1noc(C[N@H+](CC)C2CC2)n1 ZINC000297296216 353848120 /nfs/dbraw/zinc/84/81/20/353848120.db2.gz MCEWVJFJBOGXLO-UHFFFAOYSA-N 1 2 221.304 2.173 20 30 BEEDLO CC[N@@H+](CC#N)CCCCC(=O)OC(C)(C)C ZINC000343530412 353928698 /nfs/dbraw/zinc/92/86/98/353928698.db2.gz NQEPKKDZZFNDSM-UHFFFAOYSA-N 1 2 240.347 2.344 20 30 BEEDLO CC[N@H+](CC#N)CCCCC(=O)OC(C)(C)C ZINC000343530412 353928700 /nfs/dbraw/zinc/92/87/00/353928700.db2.gz NQEPKKDZZFNDSM-UHFFFAOYSA-N 1 2 240.347 2.344 20 30 BEEDLO COC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1 ZINC000343593909 353942251 /nfs/dbraw/zinc/94/22/51/353942251.db2.gz GPJFYSBRZPYMAG-CYBMUJFWSA-N 1 2 248.301 2.407 20 30 BEEDLO N#Cc1cc(F)cc(-c2cccc(N)[nH+]2)c1 ZINC000085633893 181087525 /nfs/dbraw/zinc/08/75/25/181087525.db2.gz IUOQKWUJLACALT-UHFFFAOYSA-N 1 2 213.215 2.342 20 30 BEEDLO CC1(C)C[NH+](CC2(C#N)CC2)CC(C)(C)O1 ZINC000334607857 354314884 /nfs/dbraw/zinc/31/48/84/354314884.db2.gz WQQBWONPKWPJER-UHFFFAOYSA-N 1 2 222.332 2.180 20 30 BEEDLO N#Cc1ccc(OCCOc2cc[nH+]cc2)cc1 ZINC000356100366 181127553 /nfs/dbraw/zinc/12/75/53/181127553.db2.gz SDOUOTTXPXYPGI-UHFFFAOYSA-N 1 2 240.262 2.411 20 30 BEEDLO N#CCCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000334708015 354502822 /nfs/dbraw/zinc/50/28/22/354502822.db2.gz SGGFUEVTIJFFMG-UHFFFAOYSA-N 1 2 234.274 2.324 20 30 BEEDLO N#CCCC[N@H+]1CCOc2cccc(F)c2C1 ZINC000334708015 354502824 /nfs/dbraw/zinc/50/28/24/354502824.db2.gz SGGFUEVTIJFFMG-UHFFFAOYSA-N 1 2 234.274 2.324 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nccc(C)n1 ZINC000334763997 354584554 /nfs/dbraw/zinc/58/45/54/354584554.db2.gz FFCAPXNJMIBVJR-LBPRGKRZSA-N 1 2 217.316 2.326 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nccc(C)n1 ZINC000334763997 354584556 /nfs/dbraw/zinc/58/45/56/354584556.db2.gz FFCAPXNJMIBVJR-LBPRGKRZSA-N 1 2 217.316 2.326 20 30 BEEDLO Cc1ccc2c(c1)CC[N@@H+](CCC#N)C2 ZINC000334767883 354589371 /nfs/dbraw/zinc/58/93/71/354589371.db2.gz CBLUWOGWXSQOTQ-UHFFFAOYSA-N 1 2 200.285 2.267 20 30 BEEDLO Cc1ccc2c(c1)CC[N@H+](CCC#N)C2 ZINC000334767883 354589373 /nfs/dbraw/zinc/58/93/73/354589373.db2.gz CBLUWOGWXSQOTQ-UHFFFAOYSA-N 1 2 200.285 2.267 20 30 BEEDLO C[N@@H+](Cc1ccoc1)C[C@@H](C#N)CCC#N ZINC000345609351 354729162 /nfs/dbraw/zinc/72/91/62/354729162.db2.gz IUZVERWUBRHIKS-LLVKDONJSA-N 1 2 217.272 2.155 20 30 BEEDLO C[N@H+](Cc1ccoc1)C[C@@H](C#N)CCC#N ZINC000345609351 354729165 /nfs/dbraw/zinc/72/91/65/354729165.db2.gz IUZVERWUBRHIKS-LLVKDONJSA-N 1 2 217.272 2.155 20 30 BEEDLO N#CC1(C[N@@H+]2CCC=C(c3cccnc3)C2)CC1 ZINC000335159994 354867596 /nfs/dbraw/zinc/86/75/96/354867596.db2.gz SKXPZPSSJOWSTP-UHFFFAOYSA-N 1 2 239.322 2.474 20 30 BEEDLO N#CC1(C[N@H+]2CCC=C(c3cccnc3)C2)CC1 ZINC000335159994 354867597 /nfs/dbraw/zinc/86/75/97/354867597.db2.gz SKXPZPSSJOWSTP-UHFFFAOYSA-N 1 2 239.322 2.474 20 30 BEEDLO CC[N@@H+](Cc1ccc(F)cn1)C[C@@H](C)C#N ZINC000346264057 354884982 /nfs/dbraw/zinc/88/49/82/354884982.db2.gz PVVKPTFDFNKRLM-JTQLQIEISA-N 1 2 221.279 2.202 20 30 BEEDLO CC[N@H+](Cc1ccc(F)cn1)C[C@@H](C)C#N ZINC000346264057 354884985 /nfs/dbraw/zinc/88/49/85/354884985.db2.gz PVVKPTFDFNKRLM-JTQLQIEISA-N 1 2 221.279 2.202 20 30 BEEDLO N#Cc1ccnc(NCc2ccn3cc[nH+]c3c2)c1 ZINC000357430417 181156987 /nfs/dbraw/zinc/15/69/87/181156987.db2.gz ASLXCVZKIIILAH-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO CCC[N@H+](CC#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000355691544 535274930 /nfs/dbraw/zinc/27/49/30/535274930.db2.gz HQQPOBONEDLXTP-IJLUTSLNSA-N 1 2 222.332 2.035 20 30 BEEDLO CCC[N@@H+](CC#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000355691544 535274932 /nfs/dbraw/zinc/27/49/32/535274932.db2.gz HQQPOBONEDLXTP-IJLUTSLNSA-N 1 2 222.332 2.035 20 30 BEEDLO [NH2+]=CNc1nc(-c2ccccn2)nc2ccccc21 ZINC000027324207 181184359 /nfs/dbraw/zinc/18/43/59/181184359.db2.gz LRBOTYSCDLJVPS-UHFFFAOYSA-N 1 2 249.277 2.310 20 30 BEEDLO CC(C)(CC#N)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413406476 191380629 /nfs/dbraw/zinc/38/06/29/191380629.db2.gz KRJIIJQHRBNDTE-UHFFFAOYSA-N 1 2 245.330 2.403 20 30 BEEDLO CC(C)(CC#N)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413406476 191380631 /nfs/dbraw/zinc/38/06/31/191380631.db2.gz KRJIIJQHRBNDTE-UHFFFAOYSA-N 1 2 245.330 2.403 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnc2n[nH]c(C)c2c1 ZINC000349818926 355469289 /nfs/dbraw/zinc/46/92/89/355469289.db2.gz NCUDYQOJWBTRAQ-UHFFFAOYSA-N 1 2 243.314 2.002 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnc2n[nH]c(C)c2c1 ZINC000349818926 355469290 /nfs/dbraw/zinc/46/92/90/355469290.db2.gz NCUDYQOJWBTRAQ-UHFFFAOYSA-N 1 2 243.314 2.002 20 30 BEEDLO CC(C)O[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000186834867 535291756 /nfs/dbraw/zinc/29/17/56/535291756.db2.gz KSTDBENHEMGVAU-UHFFFAOYSA-N 1 2 244.241 2.041 20 30 BEEDLO C[C@H]1OCC[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329035671 355890269 /nfs/dbraw/zinc/89/02/69/355890269.db2.gz YOOYSEATQFYJES-MWLCHTKSSA-N 1 2 245.282 2.347 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000034492676 355895893 /nfs/dbraw/zinc/89/58/93/355895893.db2.gz WOKKNRMUNQOEFD-GFCCVEGCSA-N 1 2 201.273 2.132 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000034492676 355895896 /nfs/dbraw/zinc/89/58/96/355895896.db2.gz WOKKNRMUNQOEFD-GFCCVEGCSA-N 1 2 201.273 2.132 20 30 BEEDLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CC12CCCC2 ZINC000329999140 356157568 /nfs/dbraw/zinc/15/75/68/356157568.db2.gz UFOKFMBQJRGTAQ-SECBINFHSA-N 1 2 219.288 2.447 20 30 BEEDLO O=C(CCc1[nH]cc[nH+]1)NC[C@H]1CCCS1 ZINC000329859087 356135465 /nfs/dbraw/zinc/13/54/65/356135465.db2.gz ONGIHHJVHJQZQC-SECBINFHSA-N 1 2 239.344 2.194 20 30 BEEDLO C=C1CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC000639483347 356298056 /nfs/dbraw/zinc/29/80/56/356298056.db2.gz SKWIWLJZCDBBCR-UHFFFAOYSA-N 1 2 233.315 2.174 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000035216077 356311445 /nfs/dbraw/zinc/31/14/45/356311445.db2.gz PJAKYOAITDVTKA-CQSZACIVSA-N 1 2 230.311 2.169 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000035216077 356311447 /nfs/dbraw/zinc/31/14/47/356311447.db2.gz PJAKYOAITDVTKA-CQSZACIVSA-N 1 2 230.311 2.169 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCO1 ZINC000035216087 356312866 /nfs/dbraw/zinc/31/28/66/356312866.db2.gz SFUZOXYSMUFAPZ-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCO1 ZINC000035216087 356312869 /nfs/dbraw/zinc/31/28/69/356312869.db2.gz SFUZOXYSMUFAPZ-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO C=CCC(C)(C)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000352476247 356366927 /nfs/dbraw/zinc/36/69/27/356366927.db2.gz HUKBYDIMQRCCKR-UHFFFAOYSA-N 1 2 249.358 2.406 20 30 BEEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C#N)cc1F ZINC000049235983 356389592 /nfs/dbraw/zinc/38/95/92/356389592.db2.gz HIPKGKWOPYZTMI-JTQLQIEISA-N 1 2 244.273 2.394 20 30 BEEDLO Cc1cc(C)c(C[NH+]2CC(O)(CC#N)C2)cc1C ZINC000190037571 356431147 /nfs/dbraw/zinc/43/11/47/356431147.db2.gz KIFDSTADAIONPF-UHFFFAOYSA-N 1 2 244.338 2.072 20 30 BEEDLO CC[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)C[C@H](CC)O1 ZINC000420940907 192288728 /nfs/dbraw/zinc/28/87/28/192288728.db2.gz DTMCYCDPXFQANC-MELADBBJSA-N 1 2 249.358 2.319 20 30 BEEDLO CC[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@H](CC)O1 ZINC000420940907 192288731 /nfs/dbraw/zinc/28/87/31/192288731.db2.gz DTMCYCDPXFQANC-MELADBBJSA-N 1 2 249.358 2.319 20 30 BEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421009326 192299644 /nfs/dbraw/zinc/29/96/44/192299644.db2.gz BPMBXTGKLUYUJT-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@]12CCOC2 ZINC000421009326 192299645 /nfs/dbraw/zinc/29/96/45/192299645.db2.gz BPMBXTGKLUYUJT-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO N#CC1(C[N@H+]2CCCC[C@@H]2C(N)=O)CCC1 ZINC000336196450 134126407 /nfs/dbraw/zinc/12/64/07/134126407.db2.gz MEIWCBWFXXYDDA-SNVBAGLBSA-N 1 2 221.304 2.070 20 30 BEEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2C(N)=O)CCC1 ZINC000336196450 134126408 /nfs/dbraw/zinc/12/64/08/134126408.db2.gz MEIWCBWFXXYDDA-SNVBAGLBSA-N 1 2 221.304 2.070 20 30 BEEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC1(C#N)CCC1 ZINC000336197395 134126875 /nfs/dbraw/zinc/12/68/75/134126875.db2.gz BZLHYQOSJYKOTQ-RYUDHWBXSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC1(C#N)CCC1 ZINC000336197395 134126876 /nfs/dbraw/zinc/12/68/76/134126876.db2.gz BZLHYQOSJYKOTQ-RYUDHWBXSA-N 1 2 222.332 2.180 20 30 BEEDLO C=CCC(C)(C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000350527721 366290247 /nfs/dbraw/zinc/29/02/47/366290247.db2.gz OKKTULFAUOIXKI-UHFFFAOYSA-N 1 2 246.314 2.248 20 30 BEEDLO C=C(C)C[N@@H+]1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000336236286 134140323 /nfs/dbraw/zinc/14/03/23/134140323.db2.gz ZYXLDTDAQWBDHV-NSHDSACASA-N 1 2 220.320 2.216 20 30 BEEDLO C=C(C)C[N@H+]1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000336236286 134140324 /nfs/dbraw/zinc/14/03/24/134140324.db2.gz ZYXLDTDAQWBDHV-NSHDSACASA-N 1 2 220.320 2.216 20 30 BEEDLO CC1(C)CCC[N@H+](C[C@@H]2CCCOC2)[C@H]1C#N ZINC000336427640 134146656 /nfs/dbraw/zinc/14/66/56/134146656.db2.gz ZJZBLXAGKUEACG-STQMWFEESA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCC[N@@H+](C[C@@H]2CCCOC2)[C@H]1C#N ZINC000336427640 134146657 /nfs/dbraw/zinc/14/66/57/134146657.db2.gz ZJZBLXAGKUEACG-STQMWFEESA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCC[N@H+](C[C@H]2CCCOC2)[C@@H]1C#N ZINC000336427637 134146684 /nfs/dbraw/zinc/14/66/84/134146684.db2.gz ZJZBLXAGKUEACG-CHWSQXEVSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCC[N@@H+](C[C@H]2CCCOC2)[C@@H]1C#N ZINC000336427637 134146685 /nfs/dbraw/zinc/14/66/85/134146685.db2.gz ZJZBLXAGKUEACG-CHWSQXEVSA-N 1 2 236.359 2.427 20 30 BEEDLO N#CC[N@@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000450339066 202122781 /nfs/dbraw/zinc/12/27/81/202122781.db2.gz NPXSFDCQKLEFSL-VIFPVBQESA-N 1 2 214.259 2.410 20 30 BEEDLO N#CC[N@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000450339066 202122784 /nfs/dbraw/zinc/12/27/84/202122784.db2.gz NPXSFDCQKLEFSL-VIFPVBQESA-N 1 2 214.259 2.410 20 30 BEEDLO N#CC[N@@H+](CC1CC(F)(F)C1)C1CC1 ZINC000450338786 202133366 /nfs/dbraw/zinc/13/33/66/202133366.db2.gz MHFSOYDJYQAOAQ-UHFFFAOYSA-N 1 2 200.232 2.020 20 30 BEEDLO N#CC[N@H+](CC1CC(F)(F)C1)C1CC1 ZINC000450338786 202133369 /nfs/dbraw/zinc/13/33/69/202133369.db2.gz MHFSOYDJYQAOAQ-UHFFFAOYSA-N 1 2 200.232 2.020 20 30 BEEDLO C#CCOCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000302087086 134157175 /nfs/dbraw/zinc/15/71/75/134157175.db2.gz ABKBAQKGQFGNMU-UHFFFAOYSA-N 1 2 244.216 2.162 20 30 BEEDLO CCC[N@H+](CC#N)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450418357 202159833 /nfs/dbraw/zinc/15/98/33/202159833.db2.gz LPCJBUUMKBNJJV-DZGCQCFKSA-N 1 2 246.354 2.387 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450418357 202159834 /nfs/dbraw/zinc/15/98/34/202159834.db2.gz LPCJBUUMKBNJJV-DZGCQCFKSA-N 1 2 246.354 2.387 20 30 BEEDLO CC1(CNc2cc(CC#N)cc[nH+]2)CC1 ZINC000389724526 357020096 /nfs/dbraw/zinc/02/00/96/357020096.db2.gz QJODLQIZCQTVDN-UHFFFAOYSA-N 1 2 201.273 2.360 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)CC#Cc1ccccc1 ZINC000063095335 357524429 /nfs/dbraw/zinc/52/44/29/357524429.db2.gz QRGAGWIFMREVHY-ZDUSSCGKSA-N 1 2 212.296 2.272 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)CC#Cc1ccccc1 ZINC000063095335 357524433 /nfs/dbraw/zinc/52/44/33/357524433.db2.gz QRGAGWIFMREVHY-ZDUSSCGKSA-N 1 2 212.296 2.272 20 30 BEEDLO C[C@@H]1CC[C@@H](C[N@H+](CC#N)C2CCCC2)O1 ZINC000188520517 357558546 /nfs/dbraw/zinc/55/85/46/357558546.db2.gz USQWHEBPPMQNNE-YPMHNXCESA-N 1 2 222.332 2.322 20 30 BEEDLO C[C@@H]1CC[C@@H](C[N@@H+](CC#N)C2CCCC2)O1 ZINC000188520517 357558548 /nfs/dbraw/zinc/55/85/48/357558548.db2.gz USQWHEBPPMQNNE-YPMHNXCESA-N 1 2 222.332 2.322 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000361550646 134206432 /nfs/dbraw/zinc/20/64/32/134206432.db2.gz GBYDKGHUARMWMY-LLVKDONJSA-N 1 2 242.326 2.021 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000361550646 134206433 /nfs/dbraw/zinc/20/64/33/134206433.db2.gz GBYDKGHUARMWMY-LLVKDONJSA-N 1 2 242.326 2.021 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(F)cn1 ZINC000583271858 357778682 /nfs/dbraw/zinc/77/86/82/357778682.db2.gz RFWSQORBPYCRNY-JTQLQIEISA-N 1 2 207.252 2.003 20 30 BEEDLO CC(C)(C)CC[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000369233307 134221746 /nfs/dbraw/zinc/22/17/46/134221746.db2.gz ZJWJJWSRNWNRQP-CYBMUJFWSA-N 1 2 235.375 2.095 20 30 BEEDLO CC(C)(C)CC[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000369233307 134221747 /nfs/dbraw/zinc/22/17/47/134221747.db2.gz ZJWJJWSRNWNRQP-CYBMUJFWSA-N 1 2 235.375 2.095 20 30 BEEDLO Cc1ccc([C@@H](C)[NH2+]CCC#N)cc1[N+](=O)[O-] ZINC000020200166 134223760 /nfs/dbraw/zinc/22/37/60/134223760.db2.gz CNPMIWHAHNLCCF-SNVBAGLBSA-N 1 2 233.271 2.468 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccon1 ZINC000349242258 357941094 /nfs/dbraw/zinc/94/10/94/357941094.db2.gz OQAFPQSGZQZTRO-SNVBAGLBSA-N 1 2 227.267 2.397 20 30 BEEDLO C#CC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000374813551 134238079 /nfs/dbraw/zinc/23/80/79/134238079.db2.gz FPSDCPKYRLNBKV-ZDUSSCGKSA-N 1 2 221.250 2.329 20 30 BEEDLO C#CC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000374813551 134238080 /nfs/dbraw/zinc/23/80/80/134238080.db2.gz FPSDCPKYRLNBKV-ZDUSSCGKSA-N 1 2 221.250 2.329 20 30 BEEDLO Cc1ccc(CCNc2cccnc2C#N)c[nH+]1 ZINC000584821690 358196135 /nfs/dbraw/zinc/19/61/35/358196135.db2.gz PHHAGEPHCPAPOF-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC(C(F)F)C2)c(F)c1 ZINC000610892643 358228303 /nfs/dbraw/zinc/22/83/03/358228303.db2.gz HTPVXUZMTIXMKD-UHFFFAOYSA-N 1 2 240.228 2.394 20 30 BEEDLO C=CC(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000450725966 202246797 /nfs/dbraw/zinc/24/67/97/202246797.db2.gz SNTOIWJSJWXAJW-UHFFFAOYSA-N 1 2 217.316 2.400 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(C#N)cc1 ZINC000044413333 358548601 /nfs/dbraw/zinc/54/86/01/358548601.db2.gz LNGMCLKYKLTYCK-UHFFFAOYSA-N 1 2 213.284 2.294 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(C#N)cc1 ZINC000044413333 358548606 /nfs/dbraw/zinc/54/86/06/358548606.db2.gz LNGMCLKYKLTYCK-UHFFFAOYSA-N 1 2 213.284 2.294 20 30 BEEDLO COc1ccc(C#N)cc1C[N@H+](C)C[C@H](C)C#N ZINC000130376495 358622163 /nfs/dbraw/zinc/62/21/63/358622163.db2.gz PPKITTQDODPPCO-LLVKDONJSA-N 1 2 243.310 2.158 20 30 BEEDLO COc1ccc(C#N)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000130376495 358622166 /nfs/dbraw/zinc/62/21/66/358622166.db2.gz PPKITTQDODPPCO-LLVKDONJSA-N 1 2 243.310 2.158 20 30 BEEDLO N#Cc1ccc(C[NH2+]Cc2ccco2)o1 ZINC000135480271 325414384 /nfs/dbraw/zinc/41/43/84/325414384.db2.gz FKXFHPWPLVCCQH-UHFFFAOYSA-N 1 2 202.213 2.034 20 30 BEEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135627749 358846648 /nfs/dbraw/zinc/84/66/48/358846648.db2.gz GNNMDHBLKNLXJF-NSHDSACASA-N 1 2 239.750 2.482 20 30 BEEDLO C=C(Cl)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135627749 358846650 /nfs/dbraw/zinc/84/66/50/358846650.db2.gz GNNMDHBLKNLXJF-NSHDSACASA-N 1 2 239.750 2.482 20 30 BEEDLO C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)[C@@H](C)CO1 ZINC000246482267 359116438 /nfs/dbraw/zinc/11/64/38/359116438.db2.gz QWZGZZDJROAQQR-STQMWFEESA-N 1 2 247.313 2.286 20 30 BEEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H](C)CO1 ZINC000246482267 359116440 /nfs/dbraw/zinc/11/64/40/359116440.db2.gz QWZGZZDJROAQQR-STQMWFEESA-N 1 2 247.313 2.286 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000246663601 359155633 /nfs/dbraw/zinc/15/56/33/359155633.db2.gz JBLYEZPRBYATSJ-FZMZJTMJSA-N 1 2 233.286 2.221 20 30 BEEDLO C#CC[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000246663601 359155637 /nfs/dbraw/zinc/15/56/37/359155637.db2.gz JBLYEZPRBYATSJ-FZMZJTMJSA-N 1 2 233.286 2.221 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H](C)c1cccc(C)c1)C(=O)OC ZINC000619701968 363632620 /nfs/dbraw/zinc/63/26/20/363632620.db2.gz AWWXZDPGSRAQFZ-OCCSQVGLSA-N 1 2 247.338 2.416 20 30 BEEDLO CCc1nn(C)cc1C[N@H+](CCC#N)C(C)C ZINC000611410755 359362014 /nfs/dbraw/zinc/36/20/14/359362014.db2.gz CEDBMMBRIDKVFU-UHFFFAOYSA-N 1 2 234.347 2.107 20 30 BEEDLO CCc1nn(C)cc1C[N@@H+](CCC#N)C(C)C ZINC000611410755 359362018 /nfs/dbraw/zinc/36/20/18/359362018.db2.gz CEDBMMBRIDKVFU-UHFFFAOYSA-N 1 2 234.347 2.107 20 30 BEEDLO C[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C[C@H]1F ZINC000611501351 359383855 /nfs/dbraw/zinc/38/38/55/359383855.db2.gz AZOSAQSITAIOOE-GXFFZTMASA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C[C@H]1F ZINC000611501351 359383857 /nfs/dbraw/zinc/38/38/57/359383857.db2.gz AZOSAQSITAIOOE-GXFFZTMASA-N 1 2 233.290 2.133 20 30 BEEDLO C#CCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC000274048159 359509880 /nfs/dbraw/zinc/50/98/80/359509880.db2.gz KPYBQOQKHZXMJW-UHFFFAOYSA-N 1 2 227.311 2.264 20 30 BEEDLO COc1ccsc1C[NH2+]C[C@@H](C)C#N ZINC000379648189 359573920 /nfs/dbraw/zinc/57/39/20/359573920.db2.gz BNLVIAZTGCXCHJ-QMMMGPOBSA-N 1 2 210.302 2.006 20 30 BEEDLO Cc1noc(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612167003 359715490 /nfs/dbraw/zinc/71/54/90/359715490.db2.gz ZFLPPEBUIJKSKW-CYBMUJFWSA-N 1 2 233.315 2.417 20 30 BEEDLO Cc1noc(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167003 359715497 /nfs/dbraw/zinc/71/54/97/359715497.db2.gz ZFLPPEBUIJKSKW-CYBMUJFWSA-N 1 2 233.315 2.417 20 30 BEEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccncc2)C1 ZINC000612167684 359716901 /nfs/dbraw/zinc/71/69/01/359716901.db2.gz ULKZZLFQHBYNOJ-ZDUSSCGKSA-N 1 2 215.300 2.207 20 30 BEEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccncc2)C1 ZINC000612167684 359716905 /nfs/dbraw/zinc/71/69/05/359716905.db2.gz ULKZZLFQHBYNOJ-ZDUSSCGKSA-N 1 2 215.300 2.207 20 30 BEEDLO C=CCC[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450819225 202274518 /nfs/dbraw/zinc/27/45/18/202274518.db2.gz KMSFFAVWGKSVGJ-UHFFFAOYSA-N 1 2 223.345 2.423 20 30 BEEDLO C=CCC[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000450819225 202274520 /nfs/dbraw/zinc/27/45/20/202274520.db2.gz KMSFFAVWGKSVGJ-UHFFFAOYSA-N 1 2 223.345 2.423 20 30 BEEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cccnc2)C1 ZINC000612166158 359720707 /nfs/dbraw/zinc/72/07/07/359720707.db2.gz PTQDDBBRCLDMKO-ZDUSSCGKSA-N 1 2 215.300 2.207 20 30 BEEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cccnc2)C1 ZINC000612166158 359720714 /nfs/dbraw/zinc/72/07/14/359720714.db2.gz PTQDDBBRCLDMKO-ZDUSSCGKSA-N 1 2 215.300 2.207 20 30 BEEDLO C=CCC[C@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000450900103 202303728 /nfs/dbraw/zinc/30/37/28/202303728.db2.gz UETCPJKNKNBIRL-SNVBAGLBSA-N 1 2 246.314 2.005 20 30 BEEDLO CCn1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000612406595 359833136 /nfs/dbraw/zinc/83/31/36/359833136.db2.gz QATFSVGMHHZNBP-ZDUSSCGKSA-N 1 2 232.331 2.029 20 30 BEEDLO CCn1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000612406595 359833139 /nfs/dbraw/zinc/83/31/39/359833139.db2.gz QATFSVGMHHZNBP-ZDUSSCGKSA-N 1 2 232.331 2.029 20 30 BEEDLO CCn1nccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612405641 359832083 /nfs/dbraw/zinc/83/20/83/359832083.db2.gz BUBGWRLJJWCRAZ-CYBMUJFWSA-N 1 2 232.331 2.029 20 30 BEEDLO CCn1nccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612405641 359832087 /nfs/dbraw/zinc/83/20/87/359832087.db2.gz BUBGWRLJJWCRAZ-CYBMUJFWSA-N 1 2 232.331 2.029 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@H](C)c1ccc(C)cc1)C(=O)OC ZINC000619702712 363679999 /nfs/dbraw/zinc/67/99/99/363679999.db2.gz QDNIHLCBKQITFE-GXTWGEPZSA-N 1 2 247.338 2.416 20 30 BEEDLO CCC[N@@H+](CC#N)CCc1ccc2c(c1)CCO2 ZINC000088102336 359937513 /nfs/dbraw/zinc/93/75/13/359937513.db2.gz RZXGQNYMOZOOIK-UHFFFAOYSA-N 1 2 244.338 2.400 20 30 BEEDLO CCC[N@H+](CC#N)CCc1ccc2c(c1)CCO2 ZINC000088102336 359937516 /nfs/dbraw/zinc/93/75/16/359937516.db2.gz RZXGQNYMOZOOIK-UHFFFAOYSA-N 1 2 244.338 2.400 20 30 BEEDLO CC[N@@H+](Cc1ccc(OC)c(O)c1)C[C@@H](C)C#N ZINC000091983069 360140902 /nfs/dbraw/zinc/14/09/02/360140902.db2.gz GBBKICLVTBTDRN-NSHDSACASA-N 1 2 248.326 2.382 20 30 BEEDLO CC[N@H+](Cc1ccc(OC)c(O)c1)C[C@@H](C)C#N ZINC000091983069 360140906 /nfs/dbraw/zinc/14/09/06/360140906.db2.gz GBBKICLVTBTDRN-NSHDSACASA-N 1 2 248.326 2.382 20 30 BEEDLO C[N@H+](CCC(F)(F)F)Cc1cc(C#N)ccn1 ZINC001641649932 1172280015 /nfs/dbraw/zinc/28/00/15/1172280015.db2.gz PBCAKLJSHXRJMR-UHFFFAOYSA-N 1 2 243.232 2.337 20 30 BEEDLO C[N@@H+](CCC(F)(F)F)Cc1cc(C#N)ccn1 ZINC001641649932 1172280020 /nfs/dbraw/zinc/28/00/20/1172280020.db2.gz PBCAKLJSHXRJMR-UHFFFAOYSA-N 1 2 243.232 2.337 20 30 BEEDLO C[N@@H+](Cc1cccc(F)c1C#N)C[C@H]1CCCO1 ZINC000428426776 201016272 /nfs/dbraw/zinc/01/62/72/201016272.db2.gz NRNOPVVHIRMACD-GFCCVEGCSA-N 1 2 248.301 2.308 20 30 BEEDLO C[N@H+](Cc1cccc(F)c1C#N)C[C@H]1CCCO1 ZINC000428426776 201016274 /nfs/dbraw/zinc/01/62/74/201016274.db2.gz NRNOPVVHIRMACD-GFCCVEGCSA-N 1 2 248.301 2.308 20 30 BEEDLO C=CC[NH+](CC=C)[C@H](CCCC)C(=O)OC ZINC000162081968 361335437 /nfs/dbraw/zinc/33/54/37/361335437.db2.gz OTCXIAVVISYEIE-GFCCVEGCSA-N 1 2 225.332 2.392 20 30 BEEDLO C=C(C)c1ccc(NCC2CCOCC2)[nH+]c1 ZINC000629729775 361668077 /nfs/dbraw/zinc/66/80/77/361668077.db2.gz CUHXFKNXISNWLM-UHFFFAOYSA-N 1 2 232.327 2.375 20 30 BEEDLO C=C(C)c1ccc(N[C@H](CC)CO)[nH+]c1 ZINC000629729777 361668173 /nfs/dbraw/zinc/66/81/73/361668173.db2.gz CVIIOVAJQOMIJK-LLVKDONJSA-N 1 2 206.289 2.298 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000070663273 361706682 /nfs/dbraw/zinc/70/66/82/361706682.db2.gz GLMDIVAATQZUKE-JTQLQIEISA-N 1 2 206.314 2.484 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000070663273 361706688 /nfs/dbraw/zinc/70/66/88/361706688.db2.gz GLMDIVAATQZUKE-JTQLQIEISA-N 1 2 206.314 2.484 20 30 BEEDLO Cc1ncc([C@H](C)[N@@H+](C)C[C@H](C)C#N)c(C)n1 ZINC000614530693 363836540 /nfs/dbraw/zinc/83/65/40/363836540.db2.gz VRSWIWBKLRGFLA-KOLCDFICSA-N 1 2 232.331 2.246 20 30 BEEDLO Cc1ncc([C@H](C)[N@H+](C)C[C@H](C)C#N)c(C)n1 ZINC000614530693 363836541 /nfs/dbraw/zinc/83/65/41/363836541.db2.gz VRSWIWBKLRGFLA-KOLCDFICSA-N 1 2 232.331 2.246 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573695351 364895128 /nfs/dbraw/zinc/89/51/28/364895128.db2.gz GGUHDIUJUNVYPC-AAEUAGOBSA-N 1 2 247.342 2.155 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573695351 364895132 /nfs/dbraw/zinc/89/51/32/364895132.db2.gz GGUHDIUJUNVYPC-AAEUAGOBSA-N 1 2 247.342 2.155 20 30 BEEDLO C=CC[C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000172322543 365310966 /nfs/dbraw/zinc/31/09/66/365310966.db2.gz SVXDUZZFNOKQHD-SNVBAGLBSA-N 1 2 229.283 2.029 20 30 BEEDLO Cc1ccc(CC[NH+]2CC(C)(C#N)C2)cc1 ZINC000579669411 366951003 /nfs/dbraw/zinc/95/10/03/366951003.db2.gz XDKUOKCHILVOAV-UHFFFAOYSA-N 1 2 214.312 2.383 20 30 BEEDLO COC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccco1 ZINC000184524893 367082455 /nfs/dbraw/zinc/08/24/55/367082455.db2.gz XMTDIQBBQBXJGG-NEPJUHHUSA-N 1 2 247.298 2.000 20 30 BEEDLO COC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccco1 ZINC000184524878 367082740 /nfs/dbraw/zinc/08/27/40/367082740.db2.gz XMTDIQBBQBXJGG-NWDGAFQWSA-N 1 2 247.298 2.000 20 30 BEEDLO CCc1nc(C)c(C[NH2+][C@@H](CC)CC#N)o1 ZINC000381900593 367468345 /nfs/dbraw/zinc/46/83/45/367468345.db2.gz VAZLUWGZIWAYCQ-JTQLQIEISA-N 1 2 221.304 2.327 20 30 BEEDLO C=CCC1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC000581592085 367619792 /nfs/dbraw/zinc/61/97/92/367619792.db2.gz UIRDKGFIBBSZCD-UHFFFAOYSA-N 1 2 247.342 2.136 20 30 BEEDLO C=CCCn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000077238389 368255446 /nfs/dbraw/zinc/25/54/46/368255446.db2.gz SLWNMBKRKBRZLY-LLVKDONJSA-N 1 2 245.326 2.405 20 30 BEEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)OC ZINC000034521767 368264986 /nfs/dbraw/zinc/26/49/86/368264986.db2.gz SRYPYPOFQDFTEX-GFCCVEGCSA-N 1 2 233.311 2.236 20 30 BEEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)OC ZINC000034521767 368264993 /nfs/dbraw/zinc/26/49/93/368264993.db2.gz SRYPYPOFQDFTEX-GFCCVEGCSA-N 1 2 233.311 2.236 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1cnc(C)cn1 ZINC000566687904 326074552 /nfs/dbraw/zinc/07/45/52/326074552.db2.gz RUUXAFJUANJISS-WDEREUQCSA-N 1 2 218.304 2.128 20 30 BEEDLO C#CC[N@@H+](Cc1nnc(CC)o1)C1CCCCC1 ZINC000062364691 368575625 /nfs/dbraw/zinc/57/56/25/368575625.db2.gz GYCNVYBSSBFKQZ-UHFFFAOYSA-N 1 2 247.342 2.400 20 30 BEEDLO C#CC[N@H+](Cc1nnc(CC)o1)C1CCCCC1 ZINC000062364691 368575631 /nfs/dbraw/zinc/57/56/31/368575631.db2.gz GYCNVYBSSBFKQZ-UHFFFAOYSA-N 1 2 247.342 2.400 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)CCOc1ccc(F)cc1 ZINC000072895335 368783442 /nfs/dbraw/zinc/78/34/42/368783442.db2.gz GQNSJJPJJDYLJV-LLVKDONJSA-N 1 2 236.290 2.296 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000072895335 368783450 /nfs/dbraw/zinc/78/34/50/368783450.db2.gz GQNSJJPJJDYLJV-LLVKDONJSA-N 1 2 236.290 2.296 20 30 BEEDLO C=Cn1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000618606477 369182417 /nfs/dbraw/zinc/18/24/17/369182417.db2.gz LMYZQOCIBWRXSP-ZDUSSCGKSA-N 1 2 230.315 2.109 20 30 BEEDLO C=Cn1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000618606477 369182423 /nfs/dbraw/zinc/18/24/23/369182423.db2.gz LMYZQOCIBWRXSP-ZDUSSCGKSA-N 1 2 230.315 2.109 20 30 BEEDLO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459314222 203254723 /nfs/dbraw/zinc/25/47/23/203254723.db2.gz QGZXQZYCNIVHJJ-UHFFFAOYSA-N 1 2 245.282 2.451 20 30 BEEDLO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459314222 203254727 /nfs/dbraw/zinc/25/47/27/203254727.db2.gz QGZXQZYCNIVHJJ-UHFFFAOYSA-N 1 2 245.282 2.451 20 30 BEEDLO Cc1ccc(CCCN2CC[C@](F)(C#N)C2)c[nH+]1 ZINC000619430612 369348147 /nfs/dbraw/zinc/34/81/47/369348147.db2.gz HOXIGOSGHGRLNZ-AWEZNQCLSA-N 1 2 247.317 2.260 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccco2)CCCC1 ZINC000405117393 369446461 /nfs/dbraw/zinc/44/64/61/369446461.db2.gz FVCDHRXTCMGNCN-UHFFFAOYSA-N 1 2 204.273 2.453 20 30 BEEDLO CCn1ccnc1C[NH2+]CC1(C#N)CCCC1 ZINC000405153638 369448268 /nfs/dbraw/zinc/44/82/68/369448268.db2.gz HQYMMFZBDKIBRH-UHFFFAOYSA-N 1 2 232.331 2.077 20 30 BEEDLO CCn1cc[nH+]c1CNCC1(C#N)CCCC1 ZINC000405153638 369448271 /nfs/dbraw/zinc/44/82/71/369448271.db2.gz HQYMMFZBDKIBRH-UHFFFAOYSA-N 1 2 232.331 2.077 20 30 BEEDLO Cc1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000259941187 370957794 /nfs/dbraw/zinc/95/77/94/370957794.db2.gz IFYPEGUEBVIUMA-NSHDSACASA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000259941187 370957800 /nfs/dbraw/zinc/95/78/00/370957800.db2.gz IFYPEGUEBVIUMA-NSHDSACASA-N 1 2 219.288 2.109 20 30 BEEDLO C=CCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631032066 370969579 /nfs/dbraw/zinc/96/95/79/370969579.db2.gz RBLGLZQDUCZTDH-UHFFFAOYSA-N 1 2 214.272 2.385 20 30 BEEDLO COCC[N@H+](CCC#N)CCc1ccc(C)cc1 ZINC000072690238 369486723 /nfs/dbraw/zinc/48/67/23/369486723.db2.gz BSVXEDNWXOAWPZ-UHFFFAOYSA-N 1 2 246.354 2.400 20 30 BEEDLO COCC[N@@H+](CCC#N)CCc1ccc(C)cc1 ZINC000072690238 369486729 /nfs/dbraw/zinc/48/67/29/369486729.db2.gz BSVXEDNWXOAWPZ-UHFFFAOYSA-N 1 2 246.354 2.400 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000260036571 370967059 /nfs/dbraw/zinc/96/70/59/370967059.db2.gz OUHNVVSXSHLXRD-MNOVXSKESA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000260036571 370967064 /nfs/dbraw/zinc/96/70/64/370967064.db2.gz OUHNVVSXSHLXRD-MNOVXSKESA-N 1 2 203.289 2.234 20 30 BEEDLO Cc1nc(NCc2ccc(C#N)cc2F)cc[nH+]1 ZINC000109542478 369494764 /nfs/dbraw/zinc/49/47/64/369494764.db2.gz TWXHPIXPTJXRHH-UHFFFAOYSA-N 1 2 242.257 2.408 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604610 369953329 /nfs/dbraw/zinc/95/33/29/369953329.db2.gz TZUAERARADZETJ-QWRGUYRKSA-N 1 2 235.331 2.200 20 30 BEEDLO Cc1nc(C#N)n(Cc2ccc(C)[nH+]c2C)c1C ZINC000603348204 369930622 /nfs/dbraw/zinc/93/06/22/369930622.db2.gz MBIJRMVYNRBNCL-UHFFFAOYSA-N 1 2 240.310 2.432 20 30 BEEDLO C[N@H+](Cc1cccnc1)[C@@H]1CCC[C@H]1C#N ZINC000252403519 370019986 /nfs/dbraw/zinc/01/99/86/370019986.db2.gz BOAVRSSRJUBWBV-QWHCGFSZSA-N 1 2 215.300 2.206 20 30 BEEDLO C[N@@H+](Cc1cccnc1)[C@@H]1CCC[C@H]1C#N ZINC000252403519 370019987 /nfs/dbraw/zinc/01/99/87/370019987.db2.gz BOAVRSSRJUBWBV-QWHCGFSZSA-N 1 2 215.300 2.206 20 30 BEEDLO C=C[C@H]([NH2+]CC(C)(C)C1=CCCC1)C(=O)OC ZINC000308771110 370163665 /nfs/dbraw/zinc/16/36/65/370163665.db2.gz ZUNXLISNMDIKMR-LBPRGKRZSA-N 1 2 237.343 2.440 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cccc(C#N)c1F ZINC000309787302 370261124 /nfs/dbraw/zinc/26/11/24/370261124.db2.gz SWYIXRLMPASJSZ-SECBINFHSA-N 1 2 217.247 2.089 20 30 BEEDLO C=C[C@H]([NH2+]CC[C@H](C)c1ccccc1)C(=O)OC ZINC000310696831 370362034 /nfs/dbraw/zinc/36/20/34/370362034.db2.gz VNCMZDSBEMNDFP-JSGCOSHPSA-N 1 2 247.338 2.497 20 30 BEEDLO C=CC[NH2+][C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000070683944 371058762 /nfs/dbraw/zinc/05/87/62/371058762.db2.gz RDDNYCRJAMYXKF-CYBMUJFWSA-N 1 2 225.332 2.274 20 30 BEEDLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000091981916 371071063 /nfs/dbraw/zinc/07/10/63/371071063.db2.gz WBNLBSUORUJKFK-LLVKDONJSA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@@H]1COCC[N@H+]1Cc1cc(C#N)cs1 ZINC000091981916 371071067 /nfs/dbraw/zinc/07/10/67/371071067.db2.gz WBNLBSUORUJKFK-LLVKDONJSA-N 1 2 236.340 2.231 20 30 BEEDLO Cc1nnc(C[NH2+]Cc2ccc(C#N)cc2)s1 ZINC000391937044 371353509 /nfs/dbraw/zinc/35/35/09/371353509.db2.gz QAJJBCPWNOMVNW-UHFFFAOYSA-N 1 2 244.323 2.008 20 30 BEEDLO C=C(C)CCNC(=O)c1cc(C)cn2cc[nH+]c12 ZINC000627621667 371787890 /nfs/dbraw/zinc/78/78/90/371787890.db2.gz DPNMQRRXCSRQNL-UHFFFAOYSA-N 1 2 243.310 2.339 20 30 BEEDLO C=CC[C@H](CO)Nc1cc(CCCC)[nH+]cn1 ZINC000631205785 372235251 /nfs/dbraw/zinc/23/52/51/372235251.db2.gz GOABNHGLXISEHU-GFCCVEGCSA-N 1 2 235.331 2.168 20 30 BEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000633335432 373481857 /nfs/dbraw/zinc/48/18/57/373481857.db2.gz YCZBRLQNNRVUMS-GHMZBOCLSA-N 1 2 245.326 2.361 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)N(C)CCC#N ZINC000287436040 205779131 /nfs/dbraw/zinc/77/91/31/205779131.db2.gz GXZZOMOAIHYESZ-UHFFFAOYSA-N 1 2 232.287 2.076 20 30 BEEDLO C=CCCC(C)(C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000633965128 373863320 /nfs/dbraw/zinc/86/33/20/373863320.db2.gz ZDMJSDQVQZFGOM-UHFFFAOYSA-N 1 2 235.331 2.440 20 30 BEEDLO C#CC[N@@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000192219613 259584935 /nfs/dbraw/zinc/58/49/35/259584935.db2.gz SDFUTUUUGPHNMY-VIFPVBQESA-N 1 2 247.323 2.424 20 30 BEEDLO C#CC[N@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000192219613 259584936 /nfs/dbraw/zinc/58/49/36/259584936.db2.gz SDFUTUUUGPHNMY-VIFPVBQESA-N 1 2 247.323 2.424 20 30 BEEDLO CC[N@@H+](Cc1cccc(C)n1)C[C@@H](C)C#N ZINC000080961070 383842327 /nfs/dbraw/zinc/84/23/27/383842327.db2.gz TVOZDLUGFBPXAM-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1cccc(C)n1)C[C@@H](C)C#N ZINC000080961070 383842334 /nfs/dbraw/zinc/84/23/34/383842334.db2.gz TVOZDLUGFBPXAM-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(C#N)c1 ZINC000087829053 383870721 /nfs/dbraw/zinc/87/07/21/383870721.db2.gz HLNRIYISDIVZOR-UHFFFAOYSA-N 1 2 243.310 2.302 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(C#N)c1 ZINC000087829053 383870727 /nfs/dbraw/zinc/87/07/27/383870727.db2.gz HLNRIYISDIVZOR-UHFFFAOYSA-N 1 2 243.310 2.302 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1OC ZINC000036678630 383906926 /nfs/dbraw/zinc/90/69/26/383906926.db2.gz PVYQRHFKTRLODE-LBPRGKRZSA-N 1 2 218.300 2.477 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000334445035 383898472 /nfs/dbraw/zinc/89/84/72/383898472.db2.gz NTZUVHCDPOAFNH-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc(C#N)c1F ZINC000334445035 383898476 /nfs/dbraw/zinc/89/84/76/383898476.db2.gz NTZUVHCDPOAFNH-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO CC(C)[C@@H](Nc1ccc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000285586120 384097532 /nfs/dbraw/zinc/09/75/32/384097532.db2.gz KUSOKAIYRDDXGT-GFCCVEGCSA-N 1 2 241.298 2.486 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000299108375 384116148 /nfs/dbraw/zinc/11/61/48/384116148.db2.gz VECLRIXGHBYXBF-SNVBAGLBSA-N 1 2 247.672 2.340 20 30 BEEDLO CNc1ccc(Nc2ccc(C#N)cn2)c[nH+]1 ZINC000048608249 384116828 /nfs/dbraw/zinc/11/68/28/384116828.db2.gz LUCXNMVRVBHOHM-UHFFFAOYSA-N 1 2 225.255 2.134 20 30 BEEDLO C=CC[NH+](CC=C)Cc1nc(C)c(C)o1 ZINC000299320059 384170710 /nfs/dbraw/zinc/17/07/10/384170710.db2.gz OPDQPPLDHOCHOL-UHFFFAOYSA-N 1 2 206.289 2.465 20 30 BEEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](F)C1 ZINC000336263100 384189239 /nfs/dbraw/zinc/18/92/39/384189239.db2.gz RAZDSFUUPPZNDX-LBPRGKRZSA-N 1 2 234.274 2.111 20 30 BEEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](F)C1 ZINC000336263100 384189244 /nfs/dbraw/zinc/18/92/44/384189244.db2.gz RAZDSFUUPPZNDX-LBPRGKRZSA-N 1 2 234.274 2.111 20 30 BEEDLO CCn1cc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000093091305 384212589 /nfs/dbraw/zinc/21/25/89/384212589.db2.gz NMYPMEIMTXTJDO-UHFFFAOYSA-N 1 2 232.331 2.029 20 30 BEEDLO CCn1cc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000093091305 384212594 /nfs/dbraw/zinc/21/25/94/384212594.db2.gz NMYPMEIMTXTJDO-UHFFFAOYSA-N 1 2 232.331 2.029 20 30 BEEDLO CC[N@@H+](CCC#N)CCOc1ccc(C#N)cc1 ZINC000042450507 384223182 /nfs/dbraw/zinc/22/31/82/384223182.db2.gz BGPKNJHUEJAIPO-UHFFFAOYSA-N 1 2 243.310 2.173 20 30 BEEDLO CC[N@H+](CCC#N)CCOc1ccc(C#N)cc1 ZINC000042450507 384223189 /nfs/dbraw/zinc/22/31/89/384223189.db2.gz BGPKNJHUEJAIPO-UHFFFAOYSA-N 1 2 243.310 2.173 20 30 BEEDLO CC[C@H](CC#N)NC(=O)Nc1cc[nH+]cc1C ZINC000158607547 384262972 /nfs/dbraw/zinc/26/29/72/384262972.db2.gz KYBCZDGAKFNTPL-SNVBAGLBSA-N 1 2 232.287 2.204 20 30 BEEDLO Cc1cc(NCC2CCSCC2)c(C#N)c[nH+]1 ZINC000335513140 384294426 /nfs/dbraw/zinc/29/44/26/384294426.db2.gz RRHVXAOMVVZFNL-UHFFFAOYSA-N 1 2 247.367 2.239 20 30 BEEDLO Cc1cc(N2CCC[C@@H]2C)c(C#N)c[nH+]1 ZINC000335509921 384294813 /nfs/dbraw/zinc/29/48/13/384294813.db2.gz IPWUJPWVYSJTPL-JTQLQIEISA-N 1 2 201.273 2.250 20 30 BEEDLO Cc1cc(N2C[C@H]3CCC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000335514711 384295704 /nfs/dbraw/zinc/29/57/04/384295704.db2.gz XPRXENYLMFJOOF-VXGBXAGGSA-N 1 2 227.311 2.498 20 30 BEEDLO Cc1cc(N2CCC[C@H]2C)c(C#N)c[nH+]1 ZINC000335509923 384296825 /nfs/dbraw/zinc/29/68/25/384296825.db2.gz IPWUJPWVYSJTPL-SNVBAGLBSA-N 1 2 201.273 2.250 20 30 BEEDLO Cc1nc(C[NH+]2CCC(C#N)CC2)sc1C ZINC000094966507 384324659 /nfs/dbraw/zinc/32/46/59/384324659.db2.gz HHSAMAYDBLYKLY-UHFFFAOYSA-N 1 2 235.356 2.496 20 30 BEEDLO CC(=C(O)NC1=[NH+]CCS1)c1cccs1 ZINC000078024696 384426859 /nfs/dbraw/zinc/42/68/59/384426859.db2.gz ISPFYZRLJCBMFS-ZETCQYMHSA-N 1 2 240.353 2.071 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cccc(F)c1F ZINC000082522981 384427695 /nfs/dbraw/zinc/42/76/95/384427695.db2.gz KUTGMSZGAYFWON-QMMMGPOBSA-N 1 2 210.227 2.214 20 30 BEEDLO N#Cc1ccc(C[NH+]2Cc3ccccc3C2)nc1 ZINC000582822074 384466370 /nfs/dbraw/zinc/46/63/70/384466370.db2.gz HKRDGCWVKIJTRT-UHFFFAOYSA-N 1 2 235.290 2.469 20 30 BEEDLO C[N@H+](CCC#N)CCc1ccccc1F ZINC000049813459 384566991 /nfs/dbraw/zinc/56/69/91/384566991.db2.gz CKYNNCLMBPYXPG-UHFFFAOYSA-N 1 2 206.264 2.214 20 30 BEEDLO C[N@@H+](CCC#N)CCc1ccccc1F ZINC000049813459 384567001 /nfs/dbraw/zinc/56/70/01/384567001.db2.gz CKYNNCLMBPYXPG-UHFFFAOYSA-N 1 2 206.264 2.214 20 30 BEEDLO CN1CC[N@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000565159986 384615920 /nfs/dbraw/zinc/61/59/20/384615920.db2.gz ARUUWVNMDHJEON-UHFFFAOYSA-N 1 2 249.383 2.146 20 30 BEEDLO CN1CC[N@@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000565159986 384615928 /nfs/dbraw/zinc/61/59/28/384615928.db2.gz ARUUWVNMDHJEON-UHFFFAOYSA-N 1 2 249.383 2.146 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(OC)cc1 ZINC000051406187 384665889 /nfs/dbraw/zinc/66/58/89/384665889.db2.gz CSJULHOIFIVSGI-UHFFFAOYSA-N 1 2 218.300 2.431 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)cc1 ZINC000051406187 384665897 /nfs/dbraw/zinc/66/58/97/384665897.db2.gz CSJULHOIFIVSGI-UHFFFAOYSA-N 1 2 218.300 2.431 20 30 BEEDLO C=C(C)CN(C)c1cc(C)[nH+]cc1C#N ZINC000335508978 384774811 /nfs/dbraw/zinc/77/48/11/384774811.db2.gz DCYKNBCKLZPLHW-UHFFFAOYSA-N 1 2 201.273 2.274 20 30 BEEDLO N#Cc1ccc(CNc2cccc(CO)[nH+]2)s1 ZINC000432734071 384866507 /nfs/dbraw/zinc/86/65/07/384866507.db2.gz NVMGDFIFCWJXNB-UHFFFAOYSA-N 1 2 245.307 2.119 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(NC(C)=O)cc1 ZINC000127621204 384923022 /nfs/dbraw/zinc/92/30/22/384923022.db2.gz RTINPQHSISXERK-UHFFFAOYSA-N 1 2 245.326 2.381 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(NC(C)=O)cc1 ZINC000127621204 384923032 /nfs/dbraw/zinc/92/30/32/384923032.db2.gz RTINPQHSISXERK-UHFFFAOYSA-N 1 2 245.326 2.381 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000127602797 384923293 /nfs/dbraw/zinc/92/32/93/384923293.db2.gz BRBBUWXWFKXDTN-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000127602797 384923302 /nfs/dbraw/zinc/92/33/02/384923302.db2.gz BRBBUWXWFKXDTN-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO CCc1nn(C)c(CC)c1C[N@H+](CC)CCC#N ZINC000127687257 384935694 /nfs/dbraw/zinc/93/56/94/384935694.db2.gz FRQVRYVBKCAXGL-UHFFFAOYSA-N 1 2 248.374 2.280 20 30 BEEDLO CCc1nn(C)c(CC)c1C[N@@H+](CC)CCC#N ZINC000127687257 384935700 /nfs/dbraw/zinc/93/57/00/384935700.db2.gz FRQVRYVBKCAXGL-UHFFFAOYSA-N 1 2 248.374 2.280 20 30 BEEDLO C#CC[N@@H+](Cc1c(C)nsc1C)C1CC1 ZINC000491465811 384935777 /nfs/dbraw/zinc/93/57/77/384935777.db2.gz YIUHKUMZHFMNNV-UHFFFAOYSA-N 1 2 220.341 2.358 20 30 BEEDLO C#CC[N@H+](Cc1c(C)nsc1C)C1CC1 ZINC000491465811 384935782 /nfs/dbraw/zinc/93/57/82/384935782.db2.gz YIUHKUMZHFMNNV-UHFFFAOYSA-N 1 2 220.341 2.358 20 30 BEEDLO C=CC[C@H](CO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000302110892 384960093 /nfs/dbraw/zinc/96/00/93/384960093.db2.gz AFKJFYLLIDSDLW-SECBINFHSA-N 1 2 246.232 2.449 20 30 BEEDLO N#CC1(C[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000258856565 384947986 /nfs/dbraw/zinc/94/79/86/384947986.db2.gz GQBYIFPLQJMYNM-UHFFFAOYSA-N 1 2 222.238 2.358 20 30 BEEDLO C=CCC(CC=C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001645212842 1172643607 /nfs/dbraw/zinc/64/36/07/1172643607.db2.gz MZANHVMWYZDZQU-UHFFFAOYSA-N 1 2 247.342 2.357 20 30 BEEDLO C=CCC(CC=C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001645212842 1172643610 /nfs/dbraw/zinc/64/36/10/1172643610.db2.gz MZANHVMWYZDZQU-UHFFFAOYSA-N 1 2 247.342 2.357 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2ccccc2n1C ZINC000107914216 385008515 /nfs/dbraw/zinc/00/85/15/385008515.db2.gz XOXHZIGAZHZHEQ-NSHDSACASA-N 1 2 242.326 2.355 20 30 BEEDLO N#CC1(C[NH+]2CCN(c3cccs3)CC2)CC1 ZINC000334149083 385051634 /nfs/dbraw/zinc/05/16/34/385051634.db2.gz GVYSENKCVZLLEO-UHFFFAOYSA-N 1 2 247.367 2.174 20 30 BEEDLO C=CCSCC[NH2+][C@@H](CCC)C(=O)OCC ZINC000227692044 385198715 /nfs/dbraw/zinc/19/87/15/385198715.db2.gz BLPSJMPLDHVSGC-NSHDSACASA-N 1 2 245.388 2.227 20 30 BEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000192219040 533110697 /nfs/dbraw/zinc/11/06/97/533110697.db2.gz PZVKHYSTSPONEN-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000192219040 533110702 /nfs/dbraw/zinc/11/07/02/533110702.db2.gz PZVKHYSTSPONEN-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO COC[C@@H](C)O[NH+]=C(N)c1cccc(Cl)c1 ZINC000178306651 385352299 /nfs/dbraw/zinc/35/22/99/385352299.db2.gz OFDSVMMQIMBVFI-MRVPVSSYSA-N 1 2 242.706 2.012 20 30 BEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cccc[nH+]1 ZINC000280772880 385370349 /nfs/dbraw/zinc/37/03/49/385370349.db2.gz ORJCKENGLCHJCL-WCQYABFASA-N 1 2 218.300 2.475 20 30 BEEDLO C=C[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000309093802 385405671 /nfs/dbraw/zinc/40/56/71/385405671.db2.gz BZUHXBZEALXVPO-SSDOTTSWSA-N 1 2 202.261 2.253 20 30 BEEDLO Cc1ccc(N[C@H]2CC[C@H](C#N)C2)c[nH+]1 ZINC000309098790 385409667 /nfs/dbraw/zinc/40/96/67/385409667.db2.gz FWWYZBRHZVOOBW-QWRGUYRKSA-N 1 2 201.273 2.494 20 30 BEEDLO CO[C@H](C)C[N@H+](CCC#N)Cc1ccco1 ZINC000182210243 385434085 /nfs/dbraw/zinc/43/40/85/385434085.db2.gz ZYAGOQQFEMBLNK-LLVKDONJSA-N 1 2 222.288 2.030 20 30 BEEDLO CO[C@H](C)C[N@@H+](CCC#N)Cc1ccco1 ZINC000182210243 385434088 /nfs/dbraw/zinc/43/40/88/385434088.db2.gz ZYAGOQQFEMBLNK-LLVKDONJSA-N 1 2 222.288 2.030 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1[C@H](C)Cc1ccsc1 ZINC000491373735 385482694 /nfs/dbraw/zinc/48/26/94/385482694.db2.gz ODFKIDULBPZQCX-YPMHNXCESA-N 1 2 235.352 2.013 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000491373735 385482696 /nfs/dbraw/zinc/48/26/96/385482696.db2.gz ODFKIDULBPZQCX-YPMHNXCESA-N 1 2 235.352 2.013 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1[C@@H](C)Cc1ccsc1 ZINC000491373732 385483209 /nfs/dbraw/zinc/48/32/09/385483209.db2.gz ODFKIDULBPZQCX-AAEUAGOBSA-N 1 2 235.352 2.013 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1[C@@H](C)Cc1ccsc1 ZINC000491373732 385483211 /nfs/dbraw/zinc/48/32/11/385483211.db2.gz ODFKIDULBPZQCX-AAEUAGOBSA-N 1 2 235.352 2.013 20 30 BEEDLO N#CCC[N@@H+](Cc1ccco1)CC1CC1 ZINC000156628207 385461794 /nfs/dbraw/zinc/46/17/94/385461794.db2.gz PNHDCRYHAGEVOG-UHFFFAOYSA-N 1 2 204.273 2.405 20 30 BEEDLO N#CCC[N@H+](Cc1ccco1)CC1CC1 ZINC000156628207 385461796 /nfs/dbraw/zinc/46/17/96/385461796.db2.gz PNHDCRYHAGEVOG-UHFFFAOYSA-N 1 2 204.273 2.405 20 30 BEEDLO Cc1ncsc1C[N@H+](C)C[C@H](C#N)CCC#N ZINC000171988805 385539587 /nfs/dbraw/zinc/53/95/87/385539587.db2.gz DPCKTSRWTOVCCR-NSHDSACASA-N 1 2 248.355 2.327 20 30 BEEDLO Cc1ncsc1C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000171988805 385539591 /nfs/dbraw/zinc/53/95/91/385539591.db2.gz DPCKTSRWTOVCCR-NSHDSACASA-N 1 2 248.355 2.327 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602854048 385828162 /nfs/dbraw/zinc/82/81/62/385828162.db2.gz LJBRXBFHPVIMFQ-ZDUSSCGKSA-N 1 2 215.300 2.175 20 30 BEEDLO N#CCC[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602854048 385828165 /nfs/dbraw/zinc/82/81/65/385828165.db2.gz LJBRXBFHPVIMFQ-ZDUSSCGKSA-N 1 2 215.300 2.175 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/CCC2(O)CCC2)c1 ZINC000283956247 385842419 /nfs/dbraw/zinc/84/24/19/385842419.db2.gz MUZHHJSDEURPFD-XNTDXEJSSA-N 1 2 249.310 2.125 20 30 BEEDLO CC(C)[C@@H](Nc1cccc(C#N)n1)c1[nH]cc[nH+]1 ZINC000291196091 385845841 /nfs/dbraw/zinc/84/58/41/385845841.db2.gz TXOIKWIJFMNECD-GFCCVEGCSA-N 1 2 241.298 2.486 20 30 BEEDLO C=C(CC)CSc1nc(N)cc(C)[nH+]1 ZINC000148602776 385980527 /nfs/dbraw/zinc/98/05/27/385980527.db2.gz JCQXCULOQWGZJJ-UHFFFAOYSA-N 1 2 209.318 2.426 20 30 BEEDLO N#C[C@H]1CC[C@H]([N@@H+]2CCC(F)(F)C2)C1 ZINC000335016806 385973944 /nfs/dbraw/zinc/97/39/44/385973944.db2.gz YFRANTIYVLZENA-IUCAKERBSA-N 1 2 200.232 2.020 20 30 BEEDLO N#C[C@H]1CC[C@H]([N@H+]2CCC(F)(F)C2)C1 ZINC000335016806 385973946 /nfs/dbraw/zinc/97/39/46/385973946.db2.gz YFRANTIYVLZENA-IUCAKERBSA-N 1 2 200.232 2.020 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1c(Cl)cnn1C ZINC000189533584 386022099 /nfs/dbraw/zinc/02/20/99/386022099.db2.gz DJGFBWCNNHWOQX-UHFFFAOYSA-N 1 2 227.739 2.472 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1c(Cl)cnn1C ZINC000189533584 386022105 /nfs/dbraw/zinc/02/21/05/386022105.db2.gz DJGFBWCNNHWOQX-UHFFFAOYSA-N 1 2 227.739 2.472 20 30 BEEDLO C=CCC1(c2nc(C[NH2+]C)no2)CCCC1 ZINC000414644467 386043186 /nfs/dbraw/zinc/04/31/86/386043186.db2.gz OGQWPSYQJXDTRT-UHFFFAOYSA-N 1 2 221.304 2.177 20 30 BEEDLO CO[C@H](C[N@H+](CCC#N)Cc1ccco1)C1CC1 ZINC000425426290 386046515 /nfs/dbraw/zinc/04/65/15/386046515.db2.gz RPWBYEIQXZFVPV-CQSZACIVSA-N 1 2 248.326 2.420 20 30 BEEDLO CO[C@H](C[N@@H+](CCC#N)Cc1ccco1)C1CC1 ZINC000425426290 386046521 /nfs/dbraw/zinc/04/65/21/386046521.db2.gz RPWBYEIQXZFVPV-CQSZACIVSA-N 1 2 248.326 2.420 20 30 BEEDLO Cc1ncccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000093091064 386133076 /nfs/dbraw/zinc/13/30/76/386133076.db2.gz YNUSNIAOGNRLOV-JTQLQIEISA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1ncccc1C[N@H+](C)[C@@H](C)CC#N ZINC000093091064 386133078 /nfs/dbraw/zinc/13/30/78/386133078.db2.gz YNUSNIAOGNRLOV-JTQLQIEISA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@H](C)CCC#N)no1 ZINC000276345642 386303767 /nfs/dbraw/zinc/30/37/67/386303767.db2.gz VEIRGJRZTMTFOQ-SECBINFHSA-N 1 2 207.277 2.107 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@H](C)CCC#N)no1 ZINC000276345642 386303772 /nfs/dbraw/zinc/30/37/72/386303772.db2.gz VEIRGJRZTMTFOQ-SECBINFHSA-N 1 2 207.277 2.107 20 30 BEEDLO Cc1cc(N2CCC[C@H]2C[C@H](C)O)c(C#N)c[nH+]1 ZINC000398996097 386411106 /nfs/dbraw/zinc/41/11/06/386411106.db2.gz PIYPGUXRAGPFJL-AAEUAGOBSA-N 1 2 245.326 2.001 20 30 BEEDLO Cn1cc(Cl)cc1C[N@H+](C)CC1(C#N)CC1 ZINC000347461522 386415976 /nfs/dbraw/zinc/41/59/76/386415976.db2.gz MSBNDBJQIFINCA-UHFFFAOYSA-N 1 2 237.734 2.414 20 30 BEEDLO Cn1cc(Cl)cc1C[N@@H+](C)CC1(C#N)CC1 ZINC000347461522 386415984 /nfs/dbraw/zinc/41/59/84/386415984.db2.gz MSBNDBJQIFINCA-UHFFFAOYSA-N 1 2 237.734 2.414 20 30 BEEDLO N#CC1(F)CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000343227154 386466940 /nfs/dbraw/zinc/46/69/40/386466940.db2.gz SWEZUYOZIVVCAD-UHFFFAOYSA-N 1 2 246.289 2.186 20 30 BEEDLO CCCN(CC#N)Cc1c[nH+]cn1C(C)C ZINC000425319301 386557602 /nfs/dbraw/zinc/55/76/02/386557602.db2.gz ATWQFIRKKFBMOE-UHFFFAOYSA-N 1 2 220.320 2.200 20 30 BEEDLO CC(C)n1c[nH+]cc1CN(C)C[C@@H](C)C#N ZINC000425328476 386662702 /nfs/dbraw/zinc/66/27/02/386662702.db2.gz RLHLUJSRWPFTNM-NSHDSACASA-N 1 2 220.320 2.055 20 30 BEEDLO Cc1cc(C#N)ccc1COCc1[nH]cc[nH+]1 ZINC000186300580 386680766 /nfs/dbraw/zinc/68/07/66/386680766.db2.gz SGMQVBPOARBAFD-UHFFFAOYSA-N 1 2 227.267 2.307 20 30 BEEDLO COCCCCN(C)c1cc(C)[nH+]cc1C#N ZINC000399506774 386911290 /nfs/dbraw/zinc/91/12/90/386911290.db2.gz MFJABQGAPSNEFR-UHFFFAOYSA-N 1 2 233.315 2.125 20 30 BEEDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121116257 386928376 /nfs/dbraw/zinc/92/83/76/386928376.db2.gz LYDURGUTVRTJGI-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121116257 386928382 /nfs/dbraw/zinc/92/83/82/386928382.db2.gz LYDURGUTVRTJGI-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO COC1(CNc2cc(C)[nH+]cc2C#N)CCCC1 ZINC000399522379 386955022 /nfs/dbraw/zinc/95/50/22/386955022.db2.gz RAKPDUKDEQAFFW-UHFFFAOYSA-N 1 2 245.326 2.055 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nc(C(F)F)no1 ZINC000425384080 387035783 /nfs/dbraw/zinc/03/57/83/387035783.db2.gz MJOOKLWGDONUCQ-UHFFFAOYSA-N 1 2 231.246 2.405 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nc(C(F)F)no1 ZINC000425384080 387035786 /nfs/dbraw/zinc/03/57/86/387035786.db2.gz MJOOKLWGDONUCQ-UHFFFAOYSA-N 1 2 231.246 2.405 20 30 BEEDLO Cn1c[nH+]c2cc(Nc3ccc(C#N)cn3)ccc21 ZINC000439702330 387076776 /nfs/dbraw/zinc/07/67/76/387076776.db2.gz CPEDCCQRHXTPOB-UHFFFAOYSA-N 1 2 249.277 2.005 20 30 BEEDLO Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)c(C)n1 ZINC000187163282 387173039 /nfs/dbraw/zinc/17/30/39/387173039.db2.gz SINSFJWHBZGEHT-LLVKDONJSA-N 1 2 217.316 2.432 20 30 BEEDLO Cc1ccc(C[N@H+](C)[C@H](C)CC#N)c(C)n1 ZINC000187163282 387173042 /nfs/dbraw/zinc/17/30/42/387173042.db2.gz SINSFJWHBZGEHT-LLVKDONJSA-N 1 2 217.316 2.432 20 30 BEEDLO C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@@H](C)O1 ZINC000191870494 387186952 /nfs/dbraw/zinc/18/69/52/387186952.db2.gz LSKTYGWFVSNTET-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1[nH]nc2ccccc21 ZINC000611260865 387139541 /nfs/dbraw/zinc/13/95/41/387139541.db2.gz PEPDTGRRARBAPU-JTQLQIEISA-N 1 2 228.299 2.154 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC000611260865 387139545 /nfs/dbraw/zinc/13/95/45/387139545.db2.gz PEPDTGRRARBAPU-JTQLQIEISA-N 1 2 228.299 2.154 20 30 BEEDLO C=C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000514942947 387310290 /nfs/dbraw/zinc/31/02/90/387310290.db2.gz XGUWNBJDAUJCHR-GFCCVEGCSA-N 1 2 233.315 2.013 20 30 BEEDLO C[C@@H]1CCN(C(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000161954072 387288264 /nfs/dbraw/zinc/28/82/64/387288264.db2.gz DXWOYRAGHZUKQX-NEPJUHHUSA-N 1 2 232.331 2.068 20 30 BEEDLO C=C1CC[NH+]([C@H](C)c2nc(CC)no2)CC1 ZINC000264483424 387392082 /nfs/dbraw/zinc/39/20/82/387392082.db2.gz QTNZLFZVJLSYIL-SNVBAGLBSA-N 1 2 221.304 2.345 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nnc2n1CCCCC2 ZINC000265145949 387393883 /nfs/dbraw/zinc/39/38/83/387393883.db2.gz RLRPZJGVHGSZGG-UHFFFAOYSA-N 1 2 248.374 2.403 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nnc2n1CCCCC2 ZINC000265145949 387393892 /nfs/dbraw/zinc/39/38/92/387393892.db2.gz RLRPZJGVHGSZGG-UHFFFAOYSA-N 1 2 248.374 2.403 20 30 BEEDLO C#CC[N@@H+](CC)Cc1csc(CC)n1 ZINC000266891505 387405931 /nfs/dbraw/zinc/40/59/31/387405931.db2.gz CVZYMUXBGHQSJO-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO C#CC[N@H+](CC)Cc1csc(CC)n1 ZINC000266891505 387405934 /nfs/dbraw/zinc/40/59/34/387405934.db2.gz CVZYMUXBGHQSJO-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000276903057 387525968 /nfs/dbraw/zinc/52/59/68/387525968.db2.gz DQGNBGCBTWJJDM-UHFFFAOYSA-N 1 2 217.316 2.063 20 30 BEEDLO C#CC[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000276903057 387525972 /nfs/dbraw/zinc/52/59/72/387525972.db2.gz DQGNBGCBTWJJDM-UHFFFAOYSA-N 1 2 217.316 2.063 20 30 BEEDLO C#CC[N@@H+](Cc1nc(C)c(C)s1)C1CC1 ZINC000274012705 387464593 /nfs/dbraw/zinc/46/45/93/387464593.db2.gz AZWHMTOIDLLJHA-UHFFFAOYSA-N 1 2 220.341 2.358 20 30 BEEDLO C#CC[N@H+](Cc1nc(C)c(C)s1)C1CC1 ZINC000274012705 387464599 /nfs/dbraw/zinc/46/45/99/387464599.db2.gz AZWHMTOIDLLJHA-UHFFFAOYSA-N 1 2 220.341 2.358 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000274400562 387472244 /nfs/dbraw/zinc/47/22/44/387472244.db2.gz SDHTYQPUVJSNBE-GFCCVEGCSA-N 1 2 247.342 2.212 20 30 BEEDLO C=CC(C)(C)CNc1cc(C)[nH+]cc1C#N ZINC000399591743 387556507 /nfs/dbraw/zinc/55/65/07/387556507.db2.gz QXPOXVILWSEARU-UHFFFAOYSA-N 1 2 215.300 2.308 20 30 BEEDLO C=CC1CCN(c2[nH+]cccc2OC)CC1 ZINC000527889974 387774116 /nfs/dbraw/zinc/77/41/16/387774116.db2.gz KUELWBFAUZELJG-UHFFFAOYSA-N 1 2 218.300 2.493 20 30 BEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]cccc1OC ZINC000527992234 387805626 /nfs/dbraw/zinc/80/56/26/387805626.db2.gz CNZBMKOHBHPAOU-DGCLKSJQSA-N 1 2 248.326 2.483 20 30 BEEDLO CC#CCCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336254 387806742 /nfs/dbraw/zinc/80/67/42/387806742.db2.gz USHXVGKDVQLUTJ-UHFFFAOYSA-N 1 2 245.326 2.352 20 30 BEEDLO C=C(CC)C[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000445790684 387968517 /nfs/dbraw/zinc/96/85/17/387968517.db2.gz NWMJMUIOWSBWAE-AWEZNQCLSA-N 1 2 234.343 2.365 20 30 BEEDLO C=C(CC)C[N@H+]1CCOC[C@H]1c1cccn1C ZINC000445790684 387968519 /nfs/dbraw/zinc/96/85/19/387968519.db2.gz NWMJMUIOWSBWAE-AWEZNQCLSA-N 1 2 234.343 2.365 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000246183861 388015949 /nfs/dbraw/zinc/01/59/49/388015949.db2.gz DEYKPNKSKMBQPE-GRYCIOLGSA-N 1 2 245.750 2.007 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000246183861 388015953 /nfs/dbraw/zinc/01/59/53/388015953.db2.gz DEYKPNKSKMBQPE-GRYCIOLGSA-N 1 2 245.750 2.007 20 30 BEEDLO COCC[N@H+](CC#N)C[C@H]1C(C)=CCC[C@@H]1C ZINC000453594013 388088359 /nfs/dbraw/zinc/08/83/59/388088359.db2.gz DJBXFGNMAULLRL-KBPBESRZSA-N 1 2 236.359 2.451 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@H]1C(C)=CCC[C@@H]1C ZINC000453594013 388088362 /nfs/dbraw/zinc/08/83/62/388088362.db2.gz DJBXFGNMAULLRL-KBPBESRZSA-N 1 2 236.359 2.451 20 30 BEEDLO COCC[N@H+](CC#N)CC(C(C)C)C(C)C ZINC000453602992 388091162 /nfs/dbraw/zinc/09/11/62/388091162.db2.gz XGXKDDSNRYLHQO-UHFFFAOYSA-N 1 2 226.364 2.387 20 30 BEEDLO COCC[N@@H+](CC#N)CC(C(C)C)C(C)C ZINC000453602992 388091167 /nfs/dbraw/zinc/09/11/67/388091167.db2.gz XGXKDDSNRYLHQO-UHFFFAOYSA-N 1 2 226.364 2.387 20 30 BEEDLO C=CC[C@H](C)NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454536512 388122553 /nfs/dbraw/zinc/12/25/53/388122553.db2.gz WSMIDQPSGPNHGP-AXFHLTTASA-N 1 2 248.330 2.153 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ccc(F)cc1C#N ZINC000490742454 388252840 /nfs/dbraw/zinc/25/28/40/388252840.db2.gz XZZJWTPEOJSHRD-UHFFFAOYSA-N 1 2 216.259 2.152 20 30 BEEDLO C#CC[N@H+](CC)Cc1ccc(F)cc1C#N ZINC000490742454 388252843 /nfs/dbraw/zinc/25/28/43/388252843.db2.gz XZZJWTPEOJSHRD-UHFFFAOYSA-N 1 2 216.259 2.152 20 30 BEEDLO CC#CC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489241794 388206513 /nfs/dbraw/zinc/20/65/13/388206513.db2.gz XFLFUTQPOPLRNJ-UHFFFAOYSA-N 1 2 219.259 2.043 20 30 BEEDLO CC#CC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489241794 388206515 /nfs/dbraw/zinc/20/65/15/388206515.db2.gz XFLFUTQPOPLRNJ-UHFFFAOYSA-N 1 2 219.259 2.043 20 30 BEEDLO C#CCN(c1cc[nH+]c(C(C)C)n1)C1CC1 ZINC000491339794 388286525 /nfs/dbraw/zinc/28/65/25/388286525.db2.gz SLVQLIIDDWDTKU-UHFFFAOYSA-N 1 2 215.300 2.202 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000491418429 388293261 /nfs/dbraw/zinc/29/32/61/388293261.db2.gz QSVGJKZYBWMJKS-UHFFFAOYSA-N 1 2 218.687 2.277 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000491418429 388293262 /nfs/dbraw/zinc/29/32/62/388293262.db2.gz QSVGJKZYBWMJKS-UHFFFAOYSA-N 1 2 218.687 2.277 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC000491513887 388300326 /nfs/dbraw/zinc/30/03/26/388300326.db2.gz FDQVFQUYWBSYTE-SNVBAGLBSA-N 1 2 230.267 2.388 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC000491513887 388300328 /nfs/dbraw/zinc/30/03/28/388300328.db2.gz FDQVFQUYWBSYTE-SNVBAGLBSA-N 1 2 230.267 2.388 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000491536959 388302169 /nfs/dbraw/zinc/30/21/69/388302169.db2.gz NHFILBSPXIHGNH-JTQLQIEISA-N 1 2 216.259 2.151 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000491536959 388302170 /nfs/dbraw/zinc/30/21/70/388302170.db2.gz NHFILBSPXIHGNH-JTQLQIEISA-N 1 2 216.259 2.151 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000491643842 388307575 /nfs/dbraw/zinc/30/75/75/388307575.db2.gz HVYHJCOJYRJZQM-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000491643842 388307576 /nfs/dbraw/zinc/30/75/76/388307576.db2.gz HVYHJCOJYRJZQM-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@@H+](Cc1oc(CC)nc1C)C1CC1 ZINC000491727644 388315202 /nfs/dbraw/zinc/31/52/02/388315202.db2.gz GMLZUWUVRRMTMP-UHFFFAOYSA-N 1 2 218.300 2.143 20 30 BEEDLO C#CC[N@H+](Cc1oc(CC)nc1C)C1CC1 ZINC000491727644 388315203 /nfs/dbraw/zinc/31/52/03/388315203.db2.gz GMLZUWUVRRMTMP-UHFFFAOYSA-N 1 2 218.300 2.143 20 30 BEEDLO C#C[C@H](NCc1[nH+]ccn1C)c1ccc(F)cc1 ZINC000491805729 388321805 /nfs/dbraw/zinc/32/18/05/388321805.db2.gz PCTXUFUBYUEJTB-ZDUSSCGKSA-N 1 2 243.285 2.023 20 30 BEEDLO C#CC[N@@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000491811331 388322790 /nfs/dbraw/zinc/32/27/90/388322790.db2.gz BYLPEDIUPBYGKX-VIFPVBQESA-N 1 2 247.323 2.424 20 30 BEEDLO C#CC[N@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000491811331 388322791 /nfs/dbraw/zinc/32/27/91/388322791.db2.gz BYLPEDIUPBYGKX-VIFPVBQESA-N 1 2 247.323 2.424 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ncc(CC)s1 ZINC000490949003 388261338 /nfs/dbraw/zinc/26/13/38/388261338.db2.gz HYARGBJKNFDXQT-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO C#CC[N@H+](CC)Cc1ncc(CC)s1 ZINC000490949003 388261340 /nfs/dbraw/zinc/26/13/40/388261340.db2.gz HYARGBJKNFDXQT-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C)nc1C ZINC000491022502 388265748 /nfs/dbraw/zinc/26/57/48/388265748.db2.gz RSFZHJUYDXCZNH-UHFFFAOYSA-N 1 2 226.323 2.157 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(C)nc1C ZINC000491022502 388265750 /nfs/dbraw/zinc/26/57/50/388265750.db2.gz RSFZHJUYDXCZNH-UHFFFAOYSA-N 1 2 226.323 2.157 20 30 BEEDLO CC[N@@H+](Cc1ncccc1C)C[C@H](C)C#N ZINC000093169398 256627830 /nfs/dbraw/zinc/62/78/30/256627830.db2.gz AMLFLSLRRQQDPG-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1ncccc1C)C[C@H](C)C#N ZINC000093169398 256627832 /nfs/dbraw/zinc/62/78/32/256627832.db2.gz AMLFLSLRRQQDPG-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO C#C[C@@H](CCC)[NH2+][C@@H](CCC)C(=O)OCC ZINC000233295777 388345493 /nfs/dbraw/zinc/34/54/93/388345493.db2.gz KSVHZGBTOFQBSB-RYUDHWBXSA-N 1 2 225.332 2.110 20 30 BEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCSC1 ZINC000329442025 256672870 /nfs/dbraw/zinc/67/28/70/256672870.db2.gz AOPDJNWDXJTIRR-VIFPVBQESA-N 1 2 239.344 2.318 20 30 BEEDLO COCC[N@H+](CC#N)CC1CCCCC1 ZINC000316492363 388414993 /nfs/dbraw/zinc/41/49/93/388414993.db2.gz PDLGKFVKABJWSK-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO COCC[N@@H+](CC#N)CC1CCCCC1 ZINC000316492363 388414996 /nfs/dbraw/zinc/41/49/96/388414996.db2.gz PDLGKFVKABJWSK-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO COCC[N@H+](CC#N)C[C@@H]1CCC[C@H](C)C1 ZINC000316537801 388415534 /nfs/dbraw/zinc/41/55/34/388415534.db2.gz AFJGEKYTHQTOEG-QWHCGFSZSA-N 1 2 224.348 2.285 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@@H]1CCC[C@H](C)C1 ZINC000316537801 388415537 /nfs/dbraw/zinc/41/55/37/388415537.db2.gz AFJGEKYTHQTOEG-QWHCGFSZSA-N 1 2 224.348 2.285 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)[C@@H](C)CO1 ZINC000245546947 388423154 /nfs/dbraw/zinc/42/31/54/388423154.db2.gz WAWRDAISPPDCQT-VHSXEESVSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)[C@@H](C)CO1 ZINC000245546947 388423156 /nfs/dbraw/zinc/42/31/56/388423156.db2.gz WAWRDAISPPDCQT-VHSXEESVSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)[C@@H](C)CO1 ZINC000245546944 388423544 /nfs/dbraw/zinc/42/35/44/388423544.db2.gz WAWRDAISPPDCQT-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)[C@@H](C)CO1 ZINC000245546944 388423545 /nfs/dbraw/zinc/42/35/45/388423545.db2.gz WAWRDAISPPDCQT-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO N#Cc1cccc(NCc2cn3ccccc3[nH+]2)n1 ZINC000301284189 388610328 /nfs/dbraw/zinc/61/03/28/388610328.db2.gz PVWOJOIJRBXGLX-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO N#CC1(C[NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000521528078 388613827 /nfs/dbraw/zinc/61/38/27/388613827.db2.gz SZRBDQFUQKQRKZ-UHFFFAOYSA-N 1 2 240.228 2.497 20 30 BEEDLO N#CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528653714 388555780 /nfs/dbraw/zinc/55/57/80/388555780.db2.gz WXZNYLGHCLVLID-CYBMUJFWSA-N 1 2 215.300 2.426 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000192219620 388676153 /nfs/dbraw/zinc/67/61/53/388676153.db2.gz SDFUTUUUGPHNMY-SECBINFHSA-N 1 2 247.323 2.424 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000192219620 388676155 /nfs/dbraw/zinc/67/61/55/388676155.db2.gz SDFUTUUUGPHNMY-SECBINFHSA-N 1 2 247.323 2.424 20 30 BEEDLO CC(C)C(C[N@@H+]1CCO[C@@H](C#N)C1)C(C)C ZINC000551805215 388641302 /nfs/dbraw/zinc/64/13/02/388641302.db2.gz CCRUUEMZJWPMAL-LBPRGKRZSA-N 1 2 224.348 2.139 20 30 BEEDLO CC(C)C(C[N@H+]1CCO[C@@H](C#N)C1)C(C)C ZINC000551805215 388641305 /nfs/dbraw/zinc/64/13/05/388641305.db2.gz CCRUUEMZJWPMAL-LBPRGKRZSA-N 1 2 224.348 2.139 20 30 BEEDLO C=C(C)CN(CC)C(=O)CCCn1cc[nH+]c1 ZINC000620410715 388646844 /nfs/dbraw/zinc/64/68/44/388646844.db2.gz HGWJJOGGRXBGKD-UHFFFAOYSA-N 1 2 235.331 2.088 20 30 BEEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(F)cc1C#N ZINC000111026732 388651572 /nfs/dbraw/zinc/65/15/72/388651572.db2.gz UOIOYMQRVULFGM-SNVBAGLBSA-N 1 2 244.273 2.394 20 30 BEEDLO Cn1cc[nH+]c1CNc1ccc(F)cc1C#N ZINC000111026914 388651935 /nfs/dbraw/zinc/65/19/35/388651935.db2.gz OOGIAQIMNGNMPE-UHFFFAOYSA-N 1 2 230.246 2.043 20 30 BEEDLO Cc1cnc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000075596130 388660934 /nfs/dbraw/zinc/66/09/34/388660934.db2.gz OHGUSPVLLIJHLE-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1cnc(C[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000075596130 388660937 /nfs/dbraw/zinc/66/09/37/388660937.db2.gz OHGUSPVLLIJHLE-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2cc(C#N)cs2)[C@@H]1C ZINC000093418634 388743076 /nfs/dbraw/zinc/74/30/76/388743076.db2.gz DMHBIPHRVHSTIY-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2cc(C#N)cs2)[C@@H]1C ZINC000093418634 388743078 /nfs/dbraw/zinc/74/30/78/388743078.db2.gz DMHBIPHRVHSTIY-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO N#Cc1ccc(C[NH2+]Cc2ncccc2F)s1 ZINC000126296367 388693648 /nfs/dbraw/zinc/69/36/48/388693648.db2.gz CUARDMMNUIVJOU-UHFFFAOYSA-N 1 2 247.298 2.444 20 30 BEEDLO Cc1cc(N[C@@H]2C[C@H]2C(C)C)c(C#N)c[nH+]1 ZINC000425268430 388702140 /nfs/dbraw/zinc/70/21/40/388702140.db2.gz OROSFVCZKBBRGN-WCQYABFASA-N 1 2 215.300 2.140 20 30 BEEDLO COc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1C#N ZINC000335405504 388830068 /nfs/dbraw/zinc/83/00/68/388830068.db2.gz BHZBYTYPKCLHBL-LBPRGKRZSA-N 1 2 234.274 2.111 20 30 BEEDLO COc1cc(C[N@H+]2CC[C@H](F)C2)ccc1C#N ZINC000335405504 388830072 /nfs/dbraw/zinc/83/00/72/388830072.db2.gz BHZBYTYPKCLHBL-LBPRGKRZSA-N 1 2 234.274 2.111 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCOCC23CCC3)c1 ZINC000093510642 388841855 /nfs/dbraw/zinc/84/18/55/388841855.db2.gz MLNFRDPGHJYPCJ-UHFFFAOYSA-N 1 2 248.351 2.375 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCOCC23CCC3)c1 ZINC000093510642 388841858 /nfs/dbraw/zinc/84/18/58/388841858.db2.gz MLNFRDPGHJYPCJ-UHFFFAOYSA-N 1 2 248.351 2.375 20 30 BEEDLO Cc1c[nH+]c(C)nc1NCC1CCC(C#N)CC1 ZINC000565230840 388929229 /nfs/dbraw/zinc/92/92/29/388929229.db2.gz WHPTVLNDYLTVNI-UHFFFAOYSA-N 1 2 244.342 2.257 20 30 BEEDLO C=CC[NH+](CC=C)[C@H](C)c1nnc(C)o1 ZINC000297959430 133455953 /nfs/dbraw/zinc/45/59/53/133455953.db2.gz UJAKLHXSXAJEMK-SECBINFHSA-N 1 2 207.277 2.113 20 30 BEEDLO Cc1cccc2[nH+]c(CN(C)[C@H](C)CC#N)cn21 ZINC000129600841 133485645 /nfs/dbraw/zinc/48/56/45/133485645.db2.gz BOMYNPOAVZQTFT-LLVKDONJSA-N 1 2 242.326 2.377 20 30 BEEDLO CC[N@@H+](CC#N)CCCc1ccc2c(c1)CCO2 ZINC000279122051 133554425 /nfs/dbraw/zinc/55/44/25/133554425.db2.gz XGZUPDGMWHVTFY-UHFFFAOYSA-N 1 2 244.338 2.400 20 30 BEEDLO CC[N@H+](CC#N)CCCc1ccc2c(c1)CCO2 ZINC000279122051 133554426 /nfs/dbraw/zinc/55/44/26/133554426.db2.gz XGZUPDGMWHVTFY-UHFFFAOYSA-N 1 2 244.338 2.400 20 30 BEEDLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CCCS1 ZINC000329859088 133990056 /nfs/dbraw/zinc/99/00/56/133990056.db2.gz ONGIHHJVHJQZQC-VIFPVBQESA-N 1 2 239.344 2.194 20 30 BEEDLO CC(=O)Nc1ccccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000352087836 134061456 /nfs/dbraw/zinc/06/14/56/134061456.db2.gz RSQOUDCTKHGGSW-NSHDSACASA-N 1 2 245.326 2.236 20 30 BEEDLO CC(=O)Nc1ccccc1C[N@H+](C)C[C@@H](C)C#N ZINC000352087836 134061457 /nfs/dbraw/zinc/06/14/57/134061457.db2.gz RSQOUDCTKHGGSW-NSHDSACASA-N 1 2 245.326 2.236 20 30 BEEDLO CC(C)[C@@H](O)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000336136841 134096285 /nfs/dbraw/zinc/09/62/85/134096285.db2.gz SPCMRDVMQJSFEW-RYUDHWBXSA-N 1 2 224.348 2.017 20 30 BEEDLO CC(C)[C@@H](O)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000336136841 134096286 /nfs/dbraw/zinc/09/62/86/134096286.db2.gz SPCMRDVMQJSFEW-RYUDHWBXSA-N 1 2 224.348 2.017 20 30 BEEDLO N#CC[N@@H+]1CCCc2ccccc2CC1 ZINC000336291573 134142296 /nfs/dbraw/zinc/14/22/96/134142296.db2.gz LFEFZVRXOGAMGV-UHFFFAOYSA-N 1 2 200.285 2.001 20 30 BEEDLO N#CC[N@H+]1CCCc2ccccc2CC1 ZINC000336291573 134142297 /nfs/dbraw/zinc/14/22/97/134142297.db2.gz LFEFZVRXOGAMGV-UHFFFAOYSA-N 1 2 200.285 2.001 20 30 BEEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCC#N)C1 ZINC000336283707 134142341 /nfs/dbraw/zinc/14/23/41/134142341.db2.gz NXCAOHHOUOMLHK-YPMHNXCESA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCC#N)C1 ZINC000336283707 134142342 /nfs/dbraw/zinc/14/23/42/134142342.db2.gz NXCAOHHOUOMLHK-YPMHNXCESA-N 1 2 215.300 2.378 20 30 BEEDLO N#CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000336618859 134151415 /nfs/dbraw/zinc/15/14/15/134151415.db2.gz FXQDECPGPGZHHN-AWEZNQCLSA-N 1 2 214.312 2.465 20 30 BEEDLO N#CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000336618859 134151416 /nfs/dbraw/zinc/15/14/16/134151416.db2.gz FXQDECPGPGZHHN-AWEZNQCLSA-N 1 2 214.312 2.465 20 30 BEEDLO C=C(C)CN(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000302075170 134157287 /nfs/dbraw/zinc/15/72/87/134157287.db2.gz VSONJXPQANLFHQ-UHFFFAOYSA-N 1 2 232.331 2.311 20 30 BEEDLO C=C(C)CN(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000302075170 134157288 /nfs/dbraw/zinc/15/72/88/134157288.db2.gz VSONJXPQANLFHQ-UHFFFAOYSA-N 1 2 232.331 2.311 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1cccn1C)C1CC1 ZINC000354026602 134166061 /nfs/dbraw/zinc/16/60/61/134166061.db2.gz WNTXCMIFRDEQOA-LLVKDONJSA-N 1 2 217.316 2.149 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1cccn1C)C1CC1 ZINC000354026602 134166062 /nfs/dbraw/zinc/16/60/62/134166062.db2.gz WNTXCMIFRDEQOA-LLVKDONJSA-N 1 2 217.316 2.149 20 30 BEEDLO CC[C@@H]1C[C@@H](C[N@H+](CC)CC#N)CCO1 ZINC000356976415 134181769 /nfs/dbraw/zinc/18/17/69/134181769.db2.gz CPRIEQQKKAYFIU-NWDGAFQWSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[C@@H]1C[C@@H](C[N@@H+](CC)CC#N)CCO1 ZINC000356976415 134181770 /nfs/dbraw/zinc/18/17/70/134181770.db2.gz CPRIEQQKKAYFIU-NWDGAFQWSA-N 1 2 210.321 2.037 20 30 BEEDLO C=CCN(c1[nH+]c(C)nc2[nH]ccc21)C1CC1 ZINC000357200985 134182488 /nfs/dbraw/zinc/18/24/88/134182488.db2.gz GEFRJGFTSBHDJK-UHFFFAOYSA-N 1 2 228.299 2.421 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C)c(C)o1)C1CC1 ZINC000357530293 134183361 /nfs/dbraw/zinc/18/33/61/134183361.db2.gz PIEGYRHCYDDWIF-UHFFFAOYSA-N 1 2 206.289 2.442 20 30 BEEDLO C=CC[N@H+](Cc1nc(C)c(C)o1)C1CC1 ZINC000357530293 134183362 /nfs/dbraw/zinc/18/33/62/134183362.db2.gz PIEGYRHCYDDWIF-UHFFFAOYSA-N 1 2 206.289 2.442 20 30 BEEDLO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccon1 ZINC000361753951 134207501 /nfs/dbraw/zinc/20/75/01/134207501.db2.gz MBVFUMWVNFSVRD-GFCCVEGCSA-N 1 2 226.279 2.377 20 30 BEEDLO C=CCCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000367611844 134215672 /nfs/dbraw/zinc/21/56/72/134215672.db2.gz HBFRVTMMEKXXBY-NSHDSACASA-N 1 2 233.315 2.430 20 30 BEEDLO Cc1c[nH+]ccc1NC(=O)N1CCC(C#N)CC1 ZINC000121278096 134232609 /nfs/dbraw/zinc/23/26/09/134232609.db2.gz DJROFMVLCDGXAH-UHFFFAOYSA-N 1 2 244.298 2.158 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(OC)cc1OC ZINC000123257343 134243344 /nfs/dbraw/zinc/24/33/44/134243344.db2.gz XGZJVOSPDNBFEC-UHFFFAOYSA-N 1 2 248.326 2.439 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)cc1OC ZINC000123257343 134243345 /nfs/dbraw/zinc/24/33/45/134243345.db2.gz XGZJVOSPDNBFEC-UHFFFAOYSA-N 1 2 248.326 2.439 20 30 BEEDLO C=CCCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378071816 134245417 /nfs/dbraw/zinc/24/54/17/134245417.db2.gz CHHQJCJYSMHZLS-UHFFFAOYSA-N 1 2 247.342 2.472 20 30 BEEDLO C=CCCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378071816 134245418 /nfs/dbraw/zinc/24/54/18/134245418.db2.gz CHHQJCJYSMHZLS-UHFFFAOYSA-N 1 2 247.342 2.472 20 30 BEEDLO CC#CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000180092121 134326067 /nfs/dbraw/zinc/32/60/67/134326067.db2.gz BGCGCLWMKSSNMC-UHFFFAOYSA-N 1 2 201.273 2.098 20 30 BEEDLO C=C(Br)C[N@H+]1CC=C(COC)CC1 ZINC000185808710 134390575 /nfs/dbraw/zinc/39/05/75/134390575.db2.gz PFWLOVNDTFETIG-UHFFFAOYSA-N 1 2 246.148 2.174 20 30 BEEDLO C=C(Br)C[N@@H+]1CC=C(COC)CC1 ZINC000185808710 134390577 /nfs/dbraw/zinc/39/05/77/134390577.db2.gz PFWLOVNDTFETIG-UHFFFAOYSA-N 1 2 246.148 2.174 20 30 BEEDLO C=CCOc1ccccc1C[NH2+]Cc1ncc[nH]1 ZINC000070981426 134928462 /nfs/dbraw/zinc/92/84/62/134928462.db2.gz LALCNAKNLHSRHC-UHFFFAOYSA-N 1 2 243.310 2.264 20 30 BEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC#N ZINC000189343536 134944530 /nfs/dbraw/zinc/94/45/30/134944530.db2.gz DZCAJNVVTVPUHH-NSHDSACASA-N 1 2 213.284 2.465 20 30 BEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC#N ZINC000189343536 134944531 /nfs/dbraw/zinc/94/45/31/134944531.db2.gz DZCAJNVVTVPUHH-NSHDSACASA-N 1 2 213.284 2.465 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1ccccn1)C1CC1 ZINC000338360087 135033551 /nfs/dbraw/zinc/03/35/51/135033551.db2.gz PBVSDTCGVJOFLT-NSHDSACASA-N 1 2 215.300 2.206 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000338360087 135033552 /nfs/dbraw/zinc/03/35/52/135033552.db2.gz PBVSDTCGVJOFLT-NSHDSACASA-N 1 2 215.300 2.206 20 30 BEEDLO CCC[N@@H+](CC#N)CCCO[C@H]1CCCCO1 ZINC000338310031 135033590 /nfs/dbraw/zinc/03/35/90/135033590.db2.gz XLNMYTIOXUPRAY-ZDUSSCGKSA-N 1 2 240.347 2.155 20 30 BEEDLO CCC[N@H+](CC#N)CCCO[C@H]1CCCCO1 ZINC000338310031 135033593 /nfs/dbraw/zinc/03/35/93/135033593.db2.gz XLNMYTIOXUPRAY-ZDUSSCGKSA-N 1 2 240.347 2.155 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1ccncc1)C1CC1 ZINC000338379125 135036326 /nfs/dbraw/zinc/03/63/26/135036326.db2.gz JHSJNKCHNIFFRX-LLVKDONJSA-N 1 2 215.300 2.206 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000338379125 135036328 /nfs/dbraw/zinc/03/63/28/135036328.db2.gz JHSJNKCHNIFFRX-LLVKDONJSA-N 1 2 215.300 2.206 20 30 BEEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1C#N ZINC000234804326 135043954 /nfs/dbraw/zinc/04/39/54/135043954.db2.gz AJCQXLSUNHGTPO-LLVKDONJSA-N 1 2 243.310 2.301 20 30 BEEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1C#N ZINC000234804326 135043957 /nfs/dbraw/zinc/04/39/57/135043957.db2.gz AJCQXLSUNHGTPO-LLVKDONJSA-N 1 2 243.310 2.301 20 30 BEEDLO C=CCOCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000339123028 135059486 /nfs/dbraw/zinc/05/94/86/135059486.db2.gz DRQWLVCSMLQQKS-JTQLQIEISA-N 1 2 219.275 2.166 20 30 BEEDLO C=CCOCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000339123028 135059487 /nfs/dbraw/zinc/05/94/87/135059487.db2.gz DRQWLVCSMLQQKS-JTQLQIEISA-N 1 2 219.275 2.166 20 30 BEEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366543521 135089323 /nfs/dbraw/zinc/08/93/23/135089323.db2.gz IAGLOLIENNYMLT-LSDHHAIUSA-N 1 2 245.322 2.225 20 30 BEEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366543521 135089324 /nfs/dbraw/zinc/08/93/24/135089324.db2.gz IAGLOLIENNYMLT-LSDHHAIUSA-N 1 2 245.322 2.225 20 30 BEEDLO Cc1cn2cc(NC(=O)C(C)(C)C#N)ccc2[nH+]1 ZINC000263821181 135128983 /nfs/dbraw/zinc/12/89/83/135128983.db2.gz MCRMWGNCVUJSOW-UHFFFAOYSA-N 1 2 242.282 2.131 20 30 BEEDLO C=C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000264889592 135140754 /nfs/dbraw/zinc/14/07/54/135140754.db2.gz SVVIRPUVSZQTNZ-LBPRGKRZSA-N 1 2 203.289 2.082 20 30 BEEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CCSC1 ZINC000266353352 135148212 /nfs/dbraw/zinc/14/82/12/135148212.db2.gz QAAOQSDNHPSDCW-CEXMDJMXSA-N 1 2 207.298 2.317 20 30 BEEDLO CCC1(C/[NH+]=C/c2c(O)c(C)ncc2CO)CC1 ZINC000267573096 135155800 /nfs/dbraw/zinc/15/58/00/135155800.db2.gz AMCLYKNNLHDTIV-VIZOYTHASA-N 1 2 248.326 2.197 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)c1ccccc1F ZINC000268289292 135159255 /nfs/dbraw/zinc/15/92/55/135159255.db2.gz IPBJERKGFVMHDG-ZWNOBZJWSA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccccc1F ZINC000268289292 135159257 /nfs/dbraw/zinc/15/92/57/135159257.db2.gz IPBJERKGFVMHDG-ZWNOBZJWSA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@H](/[NH+]=C/c1cccc(O)c1O)C1CCOCC1 ZINC000268585043 135160028 /nfs/dbraw/zinc/16/00/28/135160028.db2.gz YTEPJJCAILWEIA-CNOAHFENSA-N 1 2 249.310 2.332 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000269579977 135165383 /nfs/dbraw/zinc/16/53/83/135165383.db2.gz POFGDVYVIIDBIH-GFCCVEGCSA-N 1 2 230.286 2.269 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000269579977 135165384 /nfs/dbraw/zinc/16/53/84/135165384.db2.gz POFGDVYVIIDBIH-GFCCVEGCSA-N 1 2 230.286 2.269 20 30 BEEDLO Cc1cc[nH+]cc1CCCN1CC(C)(C#N)C1 ZINC000297514074 135195919 /nfs/dbraw/zinc/19/59/19/135195919.db2.gz WCWDHSIKMVGBTC-UHFFFAOYSA-N 1 2 229.327 2.168 20 30 BEEDLO COC[C@@H]([NH2+]CCC#N)c1ccc(F)c(F)c1 ZINC000298877409 135200712 /nfs/dbraw/zinc/20/07/12/135200712.db2.gz JYHKZTAQQJBIRH-GFCCVEGCSA-N 1 2 240.253 2.156 20 30 BEEDLO CC(C)n1cc[nH+]c1CN(C)C[C@@H](C)C#N ZINC000299558755 135205262 /nfs/dbraw/zinc/20/52/62/135205262.db2.gz DUENZFQALFDLPR-NSHDSACASA-N 1 2 220.320 2.055 20 30 BEEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000121190367 135222951 /nfs/dbraw/zinc/22/29/51/135222951.db2.gz IZSRNEXSIXQJLT-UHFFFAOYSA-N 1 2 240.253 2.021 20 30 BEEDLO C=CC[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000121190367 135222952 /nfs/dbraw/zinc/22/29/52/135222952.db2.gz IZSRNEXSIXQJLT-UHFFFAOYSA-N 1 2 240.253 2.021 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000299316177 135380045 /nfs/dbraw/zinc/38/00/45/135380045.db2.gz NQLDKEFQCFRWID-LURJTMIESA-N 1 2 217.725 2.250 20 30 BEEDLO N#CCC1(O)C[NH+](CCC2CCCCCC2)C1 ZINC000348192532 136049691 /nfs/dbraw/zinc/04/96/91/136049691.db2.gz LHFJFOCKXSIQRZ-UHFFFAOYSA-N 1 2 236.359 2.307 20 30 BEEDLO Cc1cc(N2CC(CC(F)F)C2)c(C#N)c[nH+]1 ZINC000335592435 136103962 /nfs/dbraw/zinc/10/39/62/136103962.db2.gz WNHFQWGXCJFOLL-UHFFFAOYSA-N 1 2 237.253 2.353 20 30 BEEDLO C=C(C)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC000118005053 397873648 /nfs/dbraw/zinc/87/36/48/397873648.db2.gz ABWNXZHVQBYWSU-UHFFFAOYSA-N 1 2 211.305 2.028 20 30 BEEDLO C=C1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000649524737 397917808 /nfs/dbraw/zinc/91/78/08/397917808.db2.gz SSSDIUPJFBGRBG-UHFFFAOYSA-N 1 2 231.343 2.371 20 30 BEEDLO CCc1noc([C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595611837 397992294 /nfs/dbraw/zinc/99/22/94/397992294.db2.gz NWJCAQFWLDXPHY-QWRGUYRKSA-N 1 2 248.330 2.319 20 30 BEEDLO CCc1noc([C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595611837 397992297 /nfs/dbraw/zinc/99/22/97/397992297.db2.gz NWJCAQFWLDXPHY-QWRGUYRKSA-N 1 2 248.330 2.319 20 30 BEEDLO COc1ccccc1OCC[N@H+](C)C[C@@H](C)C#N ZINC000064797405 397998870 /nfs/dbraw/zinc/99/88/70/397998870.db2.gz LXVWHTNZBWZYSU-LBPRGKRZSA-N 1 2 248.326 2.165 20 30 BEEDLO COc1ccccc1OCC[N@@H+](C)C[C@@H](C)C#N ZINC000064797405 397998873 /nfs/dbraw/zinc/99/88/73/397998873.db2.gz LXVWHTNZBWZYSU-LBPRGKRZSA-N 1 2 248.326 2.165 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(F)ccc1O ZINC000272291452 397977136 /nfs/dbraw/zinc/97/71/36/397977136.db2.gz OGKBOIVZKZTKDP-SECBINFHSA-N 1 2 222.263 2.123 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ccnc(Cl)c1F ZINC000491767264 398066891 /nfs/dbraw/zinc/06/68/91/398066891.db2.gz IIHWURROXJPCNE-UHFFFAOYSA-N 1 2 226.682 2.329 20 30 BEEDLO C#CC[N@H+](CC)Cc1ccnc(Cl)c1F ZINC000491767264 398066895 /nfs/dbraw/zinc/06/68/95/398066895.db2.gz IIHWURROXJPCNE-UHFFFAOYSA-N 1 2 226.682 2.329 20 30 BEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000192237787 398107282 /nfs/dbraw/zinc/10/72/82/398107282.db2.gz VLRXIQQSSWAJFE-UHFFFAOYSA-N 1 2 244.338 2.314 20 30 BEEDLO C#CC[N@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000192237787 398107286 /nfs/dbraw/zinc/10/72/86/398107286.db2.gz VLRXIQQSSWAJFE-UHFFFAOYSA-N 1 2 244.338 2.314 20 30 BEEDLO C#C[C@@H](C)N(C)c1cc(CC)[nH+]c(CC)n1 ZINC001651019762 1172913796 /nfs/dbraw/zinc/91/37/96/1172913796.db2.gz GTYILHDFHOQWJV-SNVBAGLBSA-N 1 2 217.316 2.059 20 30 BEEDLO CNc1cc(CNc2ncccc2C#N)cc[nH+]1 ZINC001651438726 1172952582 /nfs/dbraw/zinc/95/25/82/1172952582.db2.gz PZAFMXXMBWZOTB-UHFFFAOYSA-N 1 2 239.282 2.002 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2ccco2)no1 ZINC000279239304 166111326 /nfs/dbraw/zinc/11/13/26/166111326.db2.gz JVWFEPAVMXUCFP-UHFFFAOYSA-N 1 2 245.282 2.173 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2ccco2)no1 ZINC000279239304 166111328 /nfs/dbraw/zinc/11/13/28/166111328.db2.gz JVWFEPAVMXUCFP-UHFFFAOYSA-N 1 2 245.282 2.173 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000653829998 487594262 /nfs/dbraw/zinc/59/42/62/487594262.db2.gz UQRFCZVGVBHKOT-LBPRGKRZSA-N 1 2 242.322 2.243 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000653829998 487594267 /nfs/dbraw/zinc/59/42/67/487594267.db2.gz UQRFCZVGVBHKOT-LBPRGKRZSA-N 1 2 242.322 2.243 20 30 BEEDLO C#CCCCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375066990 166121592 /nfs/dbraw/zinc/12/15/92/166121592.db2.gz VENFFOUGBRXKED-LBPRGKRZSA-N 1 2 245.326 2.267 20 30 BEEDLO C#CCCCCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000277796580 166122820 /nfs/dbraw/zinc/12/28/20/166122820.db2.gz XNORFPPRJJUMHU-ZDUSSCGKSA-N 1 2 247.342 2.417 20 30 BEEDLO COc1cccc(C[N@H+](CCC#N)CC2CC2)n1 ZINC000081514890 410076108 /nfs/dbraw/zinc/07/61/08/410076108.db2.gz FHQSLIPASJWINB-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1cccc(C[N@@H+](CCC#N)CC2CC2)n1 ZINC000081514890 410076117 /nfs/dbraw/zinc/07/61/17/410076117.db2.gz FHQSLIPASJWINB-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO C=CCCC[N@@H+](C)Cc1nnc(C)s1 ZINC000271418239 166232678 /nfs/dbraw/zinc/23/26/78/166232678.db2.gz LOKPMOPTSSSYIP-UHFFFAOYSA-N 1 2 211.334 2.245 20 30 BEEDLO C=CCCC[N@H+](C)Cc1nnc(C)s1 ZINC000271418239 166232681 /nfs/dbraw/zinc/23/26/81/166232681.db2.gz LOKPMOPTSSSYIP-UHFFFAOYSA-N 1 2 211.334 2.245 20 30 BEEDLO C=CCC[N@@H+](C)Cc1noc(CCCC)n1 ZINC000276449981 166260651 /nfs/dbraw/zinc/26/06/51/166260651.db2.gz PKSHURZSMHRJIW-UHFFFAOYSA-N 1 2 223.320 2.420 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+](CC(F)F)C1CC1 ZINC000305057212 166297123 /nfs/dbraw/zinc/29/71/23/166297123.db2.gz FMTDQFODIWJEHB-SNVBAGLBSA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+](CC(F)F)C1CC1 ZINC000305057212 166297124 /nfs/dbraw/zinc/29/71/24/166297124.db2.gz FMTDQFODIWJEHB-SNVBAGLBSA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000305056720 166297382 /nfs/dbraw/zinc/29/73/82/166297382.db2.gz FIUKSAFBDPWKJG-CYBMUJFWSA-N 1 2 222.332 2.082 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000305056720 166297385 /nfs/dbraw/zinc/29/73/85/166297385.db2.gz FIUKSAFBDPWKJG-CYBMUJFWSA-N 1 2 222.332 2.082 20 30 BEEDLO C=CC[N@H+](CC(=O)OCc1ccccc1)C1CC1 ZINC000271332828 166326128 /nfs/dbraw/zinc/32/61/28/166326128.db2.gz AVPNQULBOPQRMU-UHFFFAOYSA-N 1 2 245.322 2.380 20 30 BEEDLO C=CC[N@@H+](CC(=O)OCc1ccccc1)C1CC1 ZINC000271332828 166326131 /nfs/dbraw/zinc/32/61/31/166326131.db2.gz AVPNQULBOPQRMU-UHFFFAOYSA-N 1 2 245.322 2.380 20 30 BEEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1 ZINC000046438311 166332340 /nfs/dbraw/zinc/33/23/40/166332340.db2.gz SPKXGILKRMSACQ-UHFFFAOYSA-N 1 2 230.311 2.299 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1nc(C)c(C)s1 ZINC000189420132 166340902 /nfs/dbraw/zinc/34/09/02/166340902.db2.gz UBUZFGKRMFGZCZ-UHFFFAOYSA-N 1 2 240.372 2.394 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1nc(C)c(C)s1 ZINC000189420132 166340905 /nfs/dbraw/zinc/34/09/05/166340905.db2.gz UBUZFGKRMFGZCZ-UHFFFAOYSA-N 1 2 240.372 2.394 20 30 BEEDLO CC1=C[C@H](C)C[N@H+](Cc2nc(C#N)cs2)C1 ZINC000336451757 168127988 /nfs/dbraw/zinc/12/79/88/168127988.db2.gz VKCIZDJJOFXPHS-VIFPVBQESA-N 1 2 233.340 2.413 20 30 BEEDLO CC1=C[C@H](C)C[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000336451757 168127989 /nfs/dbraw/zinc/12/79/89/168127989.db2.gz VKCIZDJJOFXPHS-VIFPVBQESA-N 1 2 233.340 2.413 20 30 BEEDLO CC1=C[C@H](C)C[C@@H](C[N@H+]2CCO[C@H](C#N)C2)C1 ZINC000356193698 168128331 /nfs/dbraw/zinc/12/83/31/168128331.db2.gz NWQMRVZMFIULQQ-IACUBPJLSA-N 1 2 234.343 2.203 20 30 BEEDLO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCO[C@H](C#N)C2)C1 ZINC000356193698 168128328 /nfs/dbraw/zinc/12/83/28/168128328.db2.gz NWQMRVZMFIULQQ-IACUBPJLSA-N 1 2 234.343 2.203 20 30 BEEDLO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCO[C@@H](C#N)C2)C1 ZINC000356193699 168129464 /nfs/dbraw/zinc/12/94/64/168129464.db2.gz NWQMRVZMFIULQQ-UBHSHLNASA-N 1 2 234.343 2.203 20 30 BEEDLO CC1=C[C@H](C)C[C@H](C[N@H+]2CCO[C@@H](C#N)C2)C1 ZINC000356193699 168129465 /nfs/dbraw/zinc/12/94/65/168129465.db2.gz NWQMRVZMFIULQQ-UBHSHLNASA-N 1 2 234.343 2.203 20 30 BEEDLO C=CC[NH+](CC=C)[C@@H](C)c1nnc(CC)[nH]1 ZINC000659837610 411470307 /nfs/dbraw/zinc/47/03/07/411470307.db2.gz GPJDEKWVHMUNHO-JTQLQIEISA-N 1 2 220.320 2.102 20 30 BEEDLO CCOC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000187724799 170216090 /nfs/dbraw/zinc/21/60/90/170216090.db2.gz OTDDIVROUKLISM-NSHDSACASA-N 1 2 246.310 2.114 20 30 BEEDLO CCOC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000187724799 170216091 /nfs/dbraw/zinc/21/60/91/170216091.db2.gz OTDDIVROUKLISM-NSHDSACASA-N 1 2 246.310 2.114 20 30 BEEDLO CCOC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000187724813 170216192 /nfs/dbraw/zinc/21/61/92/170216192.db2.gz OTDDIVROUKLISM-LLVKDONJSA-N 1 2 246.310 2.114 20 30 BEEDLO CCOC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000187724813 170216194 /nfs/dbraw/zinc/21/61/94/170216194.db2.gz OTDDIVROUKLISM-LLVKDONJSA-N 1 2 246.310 2.114 20 30 BEEDLO C=CC[N@H+](Cc1csc(C)n1)[C@H](C)COC ZINC000661240111 411741242 /nfs/dbraw/zinc/74/12/42/411741242.db2.gz LKWMEUCSRSYSTR-SNVBAGLBSA-N 1 2 240.372 2.474 20 30 BEEDLO C=CC[N@@H+](Cc1csc(C)n1)[C@H](C)COC ZINC000661240111 411741243 /nfs/dbraw/zinc/74/12/43/411741243.db2.gz LKWMEUCSRSYSTR-SNVBAGLBSA-N 1 2 240.372 2.474 20 30 BEEDLO C=CC[N@@H+](Cc1ncc(CC)o1)[C@H](C)COC ZINC000661243777 411742371 /nfs/dbraw/zinc/74/23/71/411742371.db2.gz NDQGQLSEVJLBKE-LLVKDONJSA-N 1 2 238.331 2.260 20 30 BEEDLO C=CC[N@H+](Cc1ncc(CC)o1)[C@H](C)COC ZINC000661243777 411742375 /nfs/dbraw/zinc/74/23/75/411742375.db2.gz NDQGQLSEVJLBKE-LLVKDONJSA-N 1 2 238.331 2.260 20 30 BEEDLO CC#CCOc1ccc2c(c1)[nH+]c(C)n2C ZINC000664046758 411827405 /nfs/dbraw/zinc/82/74/05/411827405.db2.gz OQCJCBHKDIUQDO-UHFFFAOYSA-N 1 2 214.268 2.284 20 30 BEEDLO C=CCCNc1cc(NCCC=C)[nH+]cn1 ZINC000664227070 411889731 /nfs/dbraw/zinc/88/97/31/411889731.db2.gz AILXZSNXJDYUES-UHFFFAOYSA-N 1 2 218.304 2.453 20 30 BEEDLO C=CCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000664228640 411889882 /nfs/dbraw/zinc/88/98/82/411889882.db2.gz TVKUDGFDWPBYHX-UHFFFAOYSA-N 1 2 218.304 2.287 20 30 BEEDLO C=CCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000664228640 411889885 /nfs/dbraw/zinc/88/98/85/411889885.db2.gz TVKUDGFDWPBYHX-UHFFFAOYSA-N 1 2 218.304 2.287 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000054183845 170811713 /nfs/dbraw/zinc/81/17/13/170811713.db2.gz NCVRQUKCIRBUKO-LBPRGKRZSA-N 1 2 234.347 2.420 20 30 BEEDLO C=CCOCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000664385292 411936609 /nfs/dbraw/zinc/93/66/09/411936609.db2.gz TWQOHMIFFKUFPZ-UHFFFAOYSA-N 1 2 248.330 2.056 20 30 BEEDLO C=CCOCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000664385292 411936613 /nfs/dbraw/zinc/93/66/13/411936613.db2.gz TWQOHMIFFKUFPZ-UHFFFAOYSA-N 1 2 248.330 2.056 20 30 BEEDLO C=CC[N@@H+](Cc1noc(COC)n1)C(C)(C)C ZINC000661759897 411871753 /nfs/dbraw/zinc/87/17/53/411871753.db2.gz LNSIECUAALHAQG-UHFFFAOYSA-N 1 2 239.319 2.003 20 30 BEEDLO C=CC[N@H+](Cc1noc(COC)n1)C(C)(C)C ZINC000661759897 411871756 /nfs/dbraw/zinc/87/17/56/411871756.db2.gz LNSIECUAALHAQG-UHFFFAOYSA-N 1 2 239.319 2.003 20 30 BEEDLO C=CCCc1noc(Cc2c[nH+]ccc2C)n1 ZINC000664896170 412040121 /nfs/dbraw/zinc/04/01/21/412040121.db2.gz DSWXWHDKLVLOBN-UHFFFAOYSA-N 1 2 229.283 2.482 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCO1 ZINC000035216091 171087394 /nfs/dbraw/zinc/08/73/94/171087394.db2.gz TUBGRZHPBLWIHC-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCO1 ZINC000035216091 171087399 /nfs/dbraw/zinc/08/73/99/171087399.db2.gz TUBGRZHPBLWIHC-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000271032091 171113730 /nfs/dbraw/zinc/11/37/30/171113730.db2.gz ZMGMWADJUNMRGP-GHMZBOCLSA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#N)o1 ZINC000271032091 171113732 /nfs/dbraw/zinc/11/37/32/171113732.db2.gz ZMGMWADJUNMRGP-GHMZBOCLSA-N 1 2 234.299 2.151 20 30 BEEDLO CN1CC[N@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC000104137086 173088531 /nfs/dbraw/zinc/08/85/31/173088531.db2.gz UGMYSVQRASHANN-UHFFFAOYSA-N 1 2 243.354 2.084 20 30 BEEDLO CN1CC[N@@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC000104137086 173088533 /nfs/dbraw/zinc/08/85/33/173088533.db2.gz UGMYSVQRASHANN-UHFFFAOYSA-N 1 2 243.354 2.084 20 30 BEEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000042207225 175095126 /nfs/dbraw/zinc/09/51/26/175095126.db2.gz PNNXYMYCOIJSQL-LLVKDONJSA-N 1 2 218.300 2.287 20 30 BEEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000042207225 175095127 /nfs/dbraw/zinc/09/51/27/175095127.db2.gz PNNXYMYCOIJSQL-LLVKDONJSA-N 1 2 218.300 2.287 20 30 BEEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1OC ZINC000047979773 175095138 /nfs/dbraw/zinc/09/51/38/175095138.db2.gz QCVGDYVLEPHREF-LLVKDONJSA-N 1 2 248.326 2.295 20 30 BEEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1OC ZINC000047979773 175095139 /nfs/dbraw/zinc/09/51/39/175095139.db2.gz QCVGDYVLEPHREF-LLVKDONJSA-N 1 2 248.326 2.295 20 30 BEEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1F ZINC000048298853 175095883 /nfs/dbraw/zinc/09/58/83/175095883.db2.gz IABNZVWXXVNZJH-JTQLQIEISA-N 1 2 236.290 2.426 20 30 BEEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1F ZINC000048298853 175095885 /nfs/dbraw/zinc/09/58/85/175095885.db2.gz IABNZVWXXVNZJH-JTQLQIEISA-N 1 2 236.290 2.426 20 30 BEEDLO COc1cccc(/C=[NH+]/CCC2(O)CCC2)c1O ZINC000284116191 175240463 /nfs/dbraw/zinc/24/04/63/175240463.db2.gz XEDNAFATOMVGET-XNTDXEJSSA-N 1 2 249.310 2.125 20 30 BEEDLO COc1ccccc1C[N@H+](C)[C@H](C)CC#N ZINC000042315679 175326210 /nfs/dbraw/zinc/32/62/10/175326210.db2.gz ISANQNCFUFRGCR-LLVKDONJSA-N 1 2 218.300 2.429 20 30 BEEDLO COc1ccccc1C[N@@H+](C)[C@H](C)CC#N ZINC000042315679 175326212 /nfs/dbraw/zinc/32/62/12/175326212.db2.gz ISANQNCFUFRGCR-LLVKDONJSA-N 1 2 218.300 2.429 20 30 BEEDLO C=C(CC)C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000678624727 487631994 /nfs/dbraw/zinc/63/19/94/487631994.db2.gz NDCNSQHFRLXFLG-SECBINFHSA-N 1 2 223.238 2.216 20 30 BEEDLO C=C(CC)C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000678624727 487631996 /nfs/dbraw/zinc/63/19/96/487631996.db2.gz NDCNSQHFRLXFLG-SECBINFHSA-N 1 2 223.238 2.216 20 30 BEEDLO C[C@H]1CCOCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000367630117 177177564 /nfs/dbraw/zinc/17/75/64/177177564.db2.gz DEMQUGIWXFRRMP-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H]1CCOCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000367630117 177177566 /nfs/dbraw/zinc/17/75/66/177177566.db2.gz DEMQUGIWXFRRMP-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000300240597 177264187 /nfs/dbraw/zinc/26/41/87/177264187.db2.gz RGUIVUBEARWDGN-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(C#N)c1F ZINC000300240597 177264188 /nfs/dbraw/zinc/26/41/88/177264188.db2.gz RGUIVUBEARWDGN-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO C#CC[N@H+](CC1=NOCC1)Cc1ccc(F)cc1 ZINC001652406964 1173077403 /nfs/dbraw/zinc/07/74/03/1173077403.db2.gz IVBXPRCVJFIKOU-UHFFFAOYSA-N 1 2 246.285 2.037 20 30 BEEDLO C#CC[N@@H+](CC1=NOCC1)Cc1ccc(F)cc1 ZINC001652406964 1173077409 /nfs/dbraw/zinc/07/74/09/1173077409.db2.gz IVBXPRCVJFIKOU-UHFFFAOYSA-N 1 2 246.285 2.037 20 30 BEEDLO C#CC[NH+](C/C=C\Cl)C/C=C\Cl ZINC000255616691 322935661 /nfs/dbraw/zinc/93/56/61/322935661.db2.gz COBWVSJVKUAKDX-GLIMQPGKSA-N 1 2 204.100 2.427 20 30 BEEDLO CC[C@@H]1C[C@H]1CNc1cc(C)[nH+]cc1C#N ZINC000399393577 262783318 /nfs/dbraw/zinc/78/33/18/262783318.db2.gz PAUBYDVCKNGRAX-MNOVXSKESA-N 1 2 215.300 2.142 20 30 BEEDLO CC(C)(C)c1ccncc1C[NH2+]CCC#N ZINC000564443512 322945699 /nfs/dbraw/zinc/94/56/99/322945699.db2.gz MQKOHYGVUOPAOZ-UHFFFAOYSA-N 1 2 217.316 2.382 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819775804 586992684 /nfs/dbraw/zinc/99/26/84/586992684.db2.gz JLWMBFSBQLCSDX-DTWKUNHWSA-N 1 2 226.345 2.196 20 30 BEEDLO COCC#CC[N@H+](C)Cc1ccccc1Cl ZINC000677132490 487886790 /nfs/dbraw/zinc/88/67/90/487886790.db2.gz ABHBFIRNECZQBW-UHFFFAOYSA-N 1 2 237.730 2.422 20 30 BEEDLO COCC#CC[N@@H+](C)Cc1ccccc1Cl ZINC000677132490 487886796 /nfs/dbraw/zinc/88/67/96/487886796.db2.gz ABHBFIRNECZQBW-UHFFFAOYSA-N 1 2 237.730 2.422 20 30 BEEDLO COCC#CC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000669942808 487950754 /nfs/dbraw/zinc/95/07/54/487950754.db2.gz IIONEYDYZRSBHZ-OAHLLOKOSA-N 1 2 247.313 2.207 20 30 BEEDLO COCC#CC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000669942808 487950757 /nfs/dbraw/zinc/95/07/57/487950757.db2.gz IIONEYDYZRSBHZ-OAHLLOKOSA-N 1 2 247.313 2.207 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]CC#Cc1ccc(F)cc1 ZINC000570105004 323050049 /nfs/dbraw/zinc/05/00/49/323050049.db2.gz TVLSPUBLHNCLNY-AWEZNQCLSA-N 1 2 230.286 2.459 20 30 BEEDLO CCn1cc(C[N@H+](CCC#N)C(C)C)cn1 ZINC000050539870 323171008 /nfs/dbraw/zinc/17/10/08/323171008.db2.gz HXLBCLPVLUFTGD-UHFFFAOYSA-N 1 2 220.320 2.027 20 30 BEEDLO CCn1cc(C[N@@H+](CCC#N)C(C)C)cn1 ZINC000050539870 323171009 /nfs/dbraw/zinc/17/10/09/323171009.db2.gz HXLBCLPVLUFTGD-UHFFFAOYSA-N 1 2 220.320 2.027 20 30 BEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000563821293 323179418 /nfs/dbraw/zinc/17/94/18/323179418.db2.gz QHKUNBDMBCJAGR-GFCCVEGCSA-N 1 2 245.326 2.215 20 30 BEEDLO Cc1ccc(CCNc2cnccc2C#N)c[nH+]1 ZINC000536708018 323201683 /nfs/dbraw/zinc/20/16/83/323201683.db2.gz XKWFPIREWSWLQL-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO CCN(C)c1ccc(C[N@H+](C)C[C@@H](C)C#N)cn1 ZINC000361566468 323355678 /nfs/dbraw/zinc/35/56/78/323355678.db2.gz QOLRMMLIHWQUQR-LBPRGKRZSA-N 1 2 246.358 2.129 20 30 BEEDLO CCN(C)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)cn1 ZINC000361566468 323355679 /nfs/dbraw/zinc/35/56/79/323355679.db2.gz QOLRMMLIHWQUQR-LBPRGKRZSA-N 1 2 246.358 2.129 20 30 BEEDLO C=CCN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000161392185 323512158 /nfs/dbraw/zinc/51/21/58/323512158.db2.gz MEMODAAZYUPIPI-UHFFFAOYSA-N 1 2 241.294 2.130 20 30 BEEDLO Cc1n[nH]c(C)c1CNc1cc(CC#N)cc[nH+]1 ZINC000545219912 325195470 /nfs/dbraw/zinc/19/54/70/325195470.db2.gz NCPSJRWTQHNITR-UHFFFAOYSA-N 1 2 241.298 2.100 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000546645594 325298004 /nfs/dbraw/zinc/29/80/04/325298004.db2.gz ISARSKTYPGWHRD-ZDUSSCGKSA-N 1 2 249.358 2.382 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc2ccccc2n1 ZINC000076073936 325329805 /nfs/dbraw/zinc/32/98/05/325329805.db2.gz WPFQWVOCEWIUCC-UHFFFAOYSA-N 1 2 234.302 2.303 20 30 BEEDLO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]CCC#N ZINC000565771054 325954556 /nfs/dbraw/zinc/95/45/56/325954556.db2.gz VMMJPSLIBXRVPE-CABZTGNLSA-N 1 2 202.257 2.012 20 30 BEEDLO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]CCC#N ZINC000566129234 326000796 /nfs/dbraw/zinc/00/07/96/326000796.db2.gz ATQVVNILDVJFIJ-QPUJVOFHSA-N 1 2 220.247 2.151 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000567246148 326149341 /nfs/dbraw/zinc/14/93/41/326149341.db2.gz GVXASZDZBPNNJD-NSHDSACASA-N 1 2 249.289 2.046 20 30 BEEDLO C#CC[N@@H+](Cc1nnc(CC)o1)C1CCCC1 ZINC000155916722 326214681 /nfs/dbraw/zinc/21/46/81/326214681.db2.gz KBEIVCYGBQHMNK-UHFFFAOYSA-N 1 2 233.315 2.010 20 30 BEEDLO C#CC[N@H+](Cc1nnc(CC)o1)C1CCCC1 ZINC000155916722 326214682 /nfs/dbraw/zinc/21/46/82/326214682.db2.gz KBEIVCYGBQHMNK-UHFFFAOYSA-N 1 2 233.315 2.010 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC000156026755 326217254 /nfs/dbraw/zinc/21/72/54/326217254.db2.gz OYJLSHKBTGDVSV-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC000156026755 326217255 /nfs/dbraw/zinc/21/72/55/326217255.db2.gz OYJLSHKBTGDVSV-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO N#Cc1ccc2ncc(CNc3cccc[nH+]3)n2c1 ZINC000157428798 326273998 /nfs/dbraw/zinc/27/39/98/326273998.db2.gz ZSMCBLHQAPPURL-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)CC2(CCC2)O1 ZINC000568627614 326368457 /nfs/dbraw/zinc/36/84/57/326368457.db2.gz DUXYBDYWLTWQGX-CHWSQXEVSA-N 1 2 247.342 2.073 20 30 BEEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC2(CCC2)O1 ZINC000568627614 326368458 /nfs/dbraw/zinc/36/84/58/326368458.db2.gz DUXYBDYWLTWQGX-CHWSQXEVSA-N 1 2 247.342 2.073 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000168895943 487550113 /nfs/dbraw/zinc/55/01/13/487550113.db2.gz ADHVOCWYHRBSMV-GFCCVEGCSA-N 1 2 242.322 2.278 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000168895943 487550119 /nfs/dbraw/zinc/55/01/19/487550119.db2.gz ADHVOCWYHRBSMV-GFCCVEGCSA-N 1 2 242.322 2.278 20 30 BEEDLO C=CCC1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCC1 ZINC000276515729 487510819 /nfs/dbraw/zinc/51/08/19/487510819.db2.gz DDYMSEKDWFSTED-GFCCVEGCSA-N 1 2 247.342 2.134 20 30 BEEDLO C=CCCCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000683787701 488222281 /nfs/dbraw/zinc/22/22/81/488222281.db2.gz VBENJNLPFBKZPA-NSHDSACASA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCCCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000683787701 488222285 /nfs/dbraw/zinc/22/22/85/488222285.db2.gz VBENJNLPFBKZPA-NSHDSACASA-N 1 2 233.302 2.435 20 30 BEEDLO C#C[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000491793169 490119832 /nfs/dbraw/zinc/11/98/32/490119832.db2.gz JPAZHABEBMUGRZ-JTQLQIEISA-N 1 2 215.300 2.120 20 30 BEEDLO Cc1cccn2c(NC(=O)CCCC#N)c[nH+]c12 ZINC000598262321 491083812 /nfs/dbraw/zinc/08/38/12/491083812.db2.gz LZDCGMSPTMBLAT-UHFFFAOYSA-N 1 2 242.282 2.275 20 30 BEEDLO COC(=O)[C@@H]1CCC[C@H]([NH2+]C(C)(C)C#N)CC1 ZINC001172768706 974936594 /nfs/dbraw/zinc/93/65/94/974936594.db2.gz WPCAPTBQVBZZQM-MNOVXSKESA-N 1 2 238.331 2.000 20 30 BEEDLO CC1(C)C[N@@H+](Cc2csc(C#N)c2)CCO1 ZINC000891704842 582711022 /nfs/dbraw/zinc/71/10/22/582711022.db2.gz AGSZTYLONNLYJM-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000366209882 534436906 /nfs/dbraw/zinc/43/69/06/534436906.db2.gz LYGZIOUAKFLEAC-UHFFFAOYSA-N 1 2 215.724 2.384 20 30 BEEDLO C=C(Cl)C[N@H+]1CCOC2(CCCC2)C1 ZINC000366209882 534436908 /nfs/dbraw/zinc/43/69/08/534436908.db2.gz LYGZIOUAKFLEAC-UHFFFAOYSA-N 1 2 215.724 2.384 20 30 BEEDLO C=C[C@@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000335301486 534493846 /nfs/dbraw/zinc/49/38/46/534493846.db2.gz LMOCWIJYOHVTOM-SECBINFHSA-N 1 2 230.271 2.030 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000336096002 534546948 /nfs/dbraw/zinc/54/69/48/534546948.db2.gz WPIVYNUHHCKORV-CYBMUJFWSA-N 1 2 245.326 2.384 20 30 BEEDLO C=C[C@@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000336092784 534561762 /nfs/dbraw/zinc/56/17/62/534561762.db2.gz BBHZLRUBPYDYIS-LLVKDONJSA-N 1 2 203.289 2.330 20 30 BEEDLO C=C[C@H](C)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000362589954 534636533 /nfs/dbraw/zinc/63/65/33/534636533.db2.gz BGCLLPTXFVWZDD-JTQLQIEISA-N 1 2 243.310 2.035 20 30 BEEDLO C=C[C@H](C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000336313126 534651165 /nfs/dbraw/zinc/65/11/65/534651165.db2.gz VTBVDXQCMUCUET-QMMMGPOBSA-N 1 2 219.288 2.394 20 30 BEEDLO C=C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000362613767 534660512 /nfs/dbraw/zinc/66/05/12/534660512.db2.gz LUBXQURJJKTISE-NSHDSACASA-N 1 2 241.294 2.177 20 30 BEEDLO C=CC[N@@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000121531753 534815391 /nfs/dbraw/zinc/81/53/91/534815391.db2.gz FLXSYTJUSUBHBB-GFCCVEGCSA-N 1 2 242.326 2.446 20 30 BEEDLO C=CC[N@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000121531753 534815394 /nfs/dbraw/zinc/81/53/94/534815394.db2.gz FLXSYTJUSUBHBB-GFCCVEGCSA-N 1 2 242.326 2.446 20 30 BEEDLO C=CC[N@@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000121563775 534815841 /nfs/dbraw/zinc/81/58/41/534815841.db2.gz MQPFNDHTGLUBCK-SNVBAGLBSA-N 1 2 243.310 2.102 20 30 BEEDLO C=CC[N@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000121563775 534815849 /nfs/dbraw/zinc/81/58/49/534815849.db2.gz MQPFNDHTGLUBCK-SNVBAGLBSA-N 1 2 243.310 2.102 20 30 BEEDLO C=CC[N@@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000121563620 534816346 /nfs/dbraw/zinc/81/63/46/534816346.db2.gz MQPFNDHTGLUBCK-JTQLQIEISA-N 1 2 243.310 2.102 20 30 BEEDLO C=CC[N@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000121563620 534816350 /nfs/dbraw/zinc/81/63/50/534816350.db2.gz MQPFNDHTGLUBCK-JTQLQIEISA-N 1 2 243.310 2.102 20 30 BEEDLO C=CC(C)(C)CNC(=O)/C=C/c1[nH+]ccn1CC ZINC000493859225 526950715 /nfs/dbraw/zinc/95/07/15/526950715.db2.gz SWILWAIMORFUKY-BQYQJAHWSA-N 1 2 247.342 2.245 20 30 BEEDLO C=CC[C@@H](CC)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492587839 527034265 /nfs/dbraw/zinc/03/42/65/527034265.db2.gz BSRWSKAEWQETNY-JLVNDZCYSA-N 1 2 247.342 2.387 20 30 BEEDLO C=CCCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493477775 527136685 /nfs/dbraw/zinc/13/66/85/527136685.db2.gz GSTAOGGZGNNHEP-FPLPWBNLSA-N 1 2 233.315 2.286 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493667657 527276019 /nfs/dbraw/zinc/27/60/19/527276019.db2.gz ZTTGSDYLYIZIRS-AEZGRPFRSA-N 1 2 233.315 2.284 20 30 BEEDLO CCC[N@H+](CCC(C)(C)C#N)CC(=O)OCC ZINC000087594712 535314724 /nfs/dbraw/zinc/31/47/24/535314724.db2.gz HDBAIQREJOPZLD-UHFFFAOYSA-N 1 2 240.347 2.201 20 30 BEEDLO CCC[N@@H+](CCC(C)(C)C#N)CC(=O)OCC ZINC000087594712 535314728 /nfs/dbraw/zinc/31/47/28/535314728.db2.gz HDBAIQREJOPZLD-UHFFFAOYSA-N 1 2 240.347 2.201 20 30 BEEDLO CC(C)Cn1cc(C[N@H+](C)C[C@@H](C)C#N)cn1 ZINC000341195066 535349699 /nfs/dbraw/zinc/34/96/99/535349699.db2.gz VAFOSSXTIREYFP-LBPRGKRZSA-N 1 2 234.347 2.131 20 30 BEEDLO CC(C)Cn1cc(C[N@@H+](C)C[C@@H](C)C#N)cn1 ZINC000341195066 535349703 /nfs/dbraw/zinc/34/97/03/535349703.db2.gz VAFOSSXTIREYFP-LBPRGKRZSA-N 1 2 234.347 2.131 20 30 BEEDLO CC[N@@H+](Cc1ccc(OC)cn1)C[C@@H](C)C#N ZINC000342469271 535785094 /nfs/dbraw/zinc/78/50/94/535785094.db2.gz FYJASTOYNURRHP-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO CC[N@H+](Cc1ccc(OC)cn1)C[C@@H](C)C#N ZINC000342469271 535785097 /nfs/dbraw/zinc/78/50/97/535785097.db2.gz FYJASTOYNURRHP-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO CC[C@@H]1C[C@H](C[N@H+](CC)CC#N)CCO1 ZINC000356976419 535896820 /nfs/dbraw/zinc/89/68/20/535896820.db2.gz CPRIEQQKKAYFIU-VXGBXAGGSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[C@@H]1C[C@H](C[N@@H+](CC)CC#N)CCO1 ZINC000356976419 535896822 /nfs/dbraw/zinc/89/68/22/535896822.db2.gz CPRIEQQKKAYFIU-VXGBXAGGSA-N 1 2 210.321 2.037 20 30 BEEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)CC#N ZINC000121212215 536877685 /nfs/dbraw/zinc/87/76/85/536877685.db2.gz PQOFAYKBRUXDOX-LLVKDONJSA-N 1 2 243.310 2.301 20 30 BEEDLO COc1ccc2c(c1)C[N@@H+](CC1(C#N)CC1)CC2 ZINC000336324863 536982838 /nfs/dbraw/zinc/98/28/38/536982838.db2.gz MRRHOKCREHYGIJ-UHFFFAOYSA-N 1 2 242.322 2.357 20 30 BEEDLO COc1ccc2c(c1)C[N@H+](CC1(C#N)CC1)CC2 ZINC000336324863 536982844 /nfs/dbraw/zinc/98/28/44/536982844.db2.gz MRRHOKCREHYGIJ-UHFFFAOYSA-N 1 2 242.322 2.357 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000893605955 583172100 /nfs/dbraw/zinc/17/21/00/583172100.db2.gz LFGZMGKPHJSKTM-GFCCVEGCSA-N 1 2 232.331 2.390 20 30 BEEDLO CC(C)c1c[nH]c(CN(C)C[C@H](C)C#N)[nH+]1 ZINC000893995895 583267456 /nfs/dbraw/zinc/26/74/56/583267456.db2.gz VLBOGTLBKFIQGS-SNVBAGLBSA-N 1 2 220.320 2.125 20 30 BEEDLO C=CCCn1nc(C)c([C@H]2COCC[N@H+]2C)c1C ZINC000852963233 588714687 /nfs/dbraw/zinc/71/46/87/588714687.db2.gz PXCIBLPYVPGBLV-CYBMUJFWSA-N 1 2 249.358 2.079 20 30 BEEDLO C=CCCn1nc(C)c([C@H]2COCC[N@@H+]2C)c1C ZINC000852963233 588714688 /nfs/dbraw/zinc/71/46/88/588714688.db2.gz PXCIBLPYVPGBLV-CYBMUJFWSA-N 1 2 249.358 2.079 20 30 BEEDLO CC(C)(C)CCNN=Cc1c[nH+]c2n1CCC2 ZINC000853332563 588734055 /nfs/dbraw/zinc/73/40/55/588734055.db2.gz KZBKFKDKRLNTRJ-UHFFFAOYSA-N 1 2 234.347 2.189 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1NCC[C@H](C)O ZINC000853336468 588734775 /nfs/dbraw/zinc/73/47/75/588734775.db2.gz AKRVWVKFYDDINK-LBPRGKRZSA-N 1 2 248.326 2.057 20 30 BEEDLO C(=NNC1CCCCC1)c1c[nH+]c2n1CCC2 ZINC000853336471 588734796 /nfs/dbraw/zinc/73/47/96/588734796.db2.gz AOAPMMRMHYRBCS-UHFFFAOYSA-N 1 2 232.331 2.086 20 30 BEEDLO CC(=[NH+]OCC1CCC1)c1csc(N)n1 ZINC000853439628 588742804 /nfs/dbraw/zinc/74/28/04/588742804.db2.gz KLJKEADJZGSOOV-UHFFFAOYSA-N 1 2 225.317 2.266 20 30 BEEDLO CC(=NOCC1CCC1)c1cn(C)c(C)[nH+]1 ZINC000853440818 588743142 /nfs/dbraw/zinc/74/31/42/588743142.db2.gz JJUBKDSLOJMITD-UHFFFAOYSA-N 1 2 221.304 2.269 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1N[C@H](CC)CO ZINC000853469352 588744847 /nfs/dbraw/zinc/74/48/47/588744847.db2.gz ITPGJQXYILXHME-GFCCVEGCSA-N 1 2 248.326 2.057 20 30 BEEDLO C=C(Cl)CO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000853674199 588754771 /nfs/dbraw/zinc/75/47/71/588754771.db2.gz AEXBTWZIGKHMCB-VIFPVBQESA-N 1 2 234.727 2.298 20 30 BEEDLO C#CC[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000854039387 588772388 /nfs/dbraw/zinc/77/23/88/588772388.db2.gz ILOJEJPTVMBLLM-GFCCVEGCSA-N 1 2 200.285 2.098 20 30 BEEDLO C#CC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000854039387 588772389 /nfs/dbraw/zinc/77/23/89/588772389.db2.gz ILOJEJPTVMBLLM-GFCCVEGCSA-N 1 2 200.285 2.098 20 30 BEEDLO C=CCC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC000854846164 588813223 /nfs/dbraw/zinc/81/32/23/588813223.db2.gz HSDYUQVCRKEWTO-UHFFFAOYSA-N 1 2 247.342 2.347 20 30 BEEDLO C=CC[C@H]1CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000890545971 582469229 /nfs/dbraw/zinc/46/92/29/582469229.db2.gz LPTODUISORBKMT-NSHDSACASA-N 1 2 241.294 2.354 20 30 BEEDLO C=CC[C@H]1CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000890555876 582475900 /nfs/dbraw/zinc/47/59/00/582475900.db2.gz PAGQBXWFPGZLQA-NSHDSACASA-N 1 2 241.294 2.125 20 30 BEEDLO CC[C@@H](CC#N)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845528643 582613508 /nfs/dbraw/zinc/61/35/08/582613508.db2.gz KHDKNULTIXKFJT-MNOVXSKESA-N 1 2 235.287 2.070 20 30 BEEDLO C=C(C)CONC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000845611654 582616016 /nfs/dbraw/zinc/61/60/16/582616016.db2.gz MSOWMGGXGLHBGO-UHFFFAOYSA-N 1 2 249.314 2.005 20 30 BEEDLO CC[C@@H]1CCC1N=NC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000807979165 582616613 /nfs/dbraw/zinc/61/66/13/582616613.db2.gz NHZHYIBKWMTBQX-JLLWLGSASA-N 1 2 234.347 2.022 20 30 BEEDLO CC[C@@H]1CCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000807979169 582616667 /nfs/dbraw/zinc/61/66/67/582616667.db2.gz NHZHYIBKWMTBQX-USWWRNFRSA-N 1 2 234.347 2.022 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnn(C2CCC2)c1 ZINC000891578577 582698652 /nfs/dbraw/zinc/69/86/52/582698652.db2.gz MFCGKOIJMIBEOH-UHFFFAOYSA-N 1 2 232.331 2.344 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnn(C2CCC2)c1 ZINC000891578577 582698653 /nfs/dbraw/zinc/69/86/53/582698653.db2.gz MFCGKOIJMIBEOH-UHFFFAOYSA-N 1 2 232.331 2.344 20 30 BEEDLO CC1(C)C[N@H+](Cc2csc(C#N)c2)CCO1 ZINC000891704842 582711021 /nfs/dbraw/zinc/71/10/21/582711021.db2.gz AGSZTYLONNLYJM-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)cnc1F ZINC000891716093 582712863 /nfs/dbraw/zinc/71/28/63/582712863.db2.gz LLCSCIGZJNBTTH-VIFPVBQESA-N 1 2 221.279 2.121 20 30 BEEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)cnc1F ZINC000891716093 582712865 /nfs/dbraw/zinc/71/28/65/582712865.db2.gz LLCSCIGZJNBTTH-VIFPVBQESA-N 1 2 221.279 2.121 20 30 BEEDLO CC[N@@H+](Cc1cn(C)nc1C1CC1)C[C@@H](C)C#N ZINC000891716634 582713730 /nfs/dbraw/zinc/71/37/30/582713730.db2.gz UYFVYDHUQOFMMO-NSHDSACASA-N 1 2 246.358 2.279 20 30 BEEDLO CC[N@H+](Cc1cn(C)nc1C1CC1)C[C@@H](C)C#N ZINC000891716634 582713733 /nfs/dbraw/zinc/71/37/33/582713733.db2.gz UYFVYDHUQOFMMO-NSHDSACASA-N 1 2 246.358 2.279 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc2[nH]c(=O)oc21 ZINC000891933868 582740867 /nfs/dbraw/zinc/74/08/67/582740867.db2.gz NHLJIEGZWJZPLZ-VIFPVBQESA-N 1 2 245.282 2.267 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc2[nH]c(=O)oc21 ZINC000891933868 582740868 /nfs/dbraw/zinc/74/08/68/582740868.db2.gz NHLJIEGZWJZPLZ-VIFPVBQESA-N 1 2 245.282 2.267 20 30 BEEDLO N#Cc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)cs1 ZINC000892110057 582793030 /nfs/dbraw/zinc/79/30/30/582793030.db2.gz IXNHQYQAFBKQEO-CYBMUJFWSA-N 1 2 248.351 2.231 20 30 BEEDLO N#Cc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)cs1 ZINC000892110057 582793034 /nfs/dbraw/zinc/79/30/34/582793034.db2.gz IXNHQYQAFBKQEO-CYBMUJFWSA-N 1 2 248.351 2.231 20 30 BEEDLO C[C@H](O)c1cccc(NCCCCC#N)[nH+]1 ZINC000892327743 582851163 /nfs/dbraw/zinc/85/11/63/582851163.db2.gz OWOAFJWNUHQULX-JTQLQIEISA-N 1 2 219.288 2.241 20 30 BEEDLO C[C@@H](CC#N)C(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000851096776 582944249 /nfs/dbraw/zinc/94/42/49/582944249.db2.gz RIVYIXCYOAXXLJ-VIFPVBQESA-N 1 2 249.314 2.300 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000852103198 583001231 /nfs/dbraw/zinc/00/12/31/583001231.db2.gz ADAUSMPHZDTOQH-CYBMUJFWSA-N 1 2 248.282 2.192 20 30 BEEDLO C#CC[N@H+](CC#CC)CCC(=O)c1ccccc1 ZINC000777589552 583137598 /nfs/dbraw/zinc/13/75/98/583137598.db2.gz BWMNGROEWUQJQW-UHFFFAOYSA-N 1 2 239.318 2.218 20 30 BEEDLO C#CC[N@@H+](CC#CC)CCC(=O)c1ccccc1 ZINC000777589552 583137599 /nfs/dbraw/zinc/13/75/99/583137599.db2.gz BWMNGROEWUQJQW-UHFFFAOYSA-N 1 2 239.318 2.218 20 30 BEEDLO C=C[C@@H]1CCCCN1c1cc(NC)[nH+]cn1 ZINC000893551735 583162581 /nfs/dbraw/zinc/16/25/81/583162581.db2.gz NPDWABJDORDABV-SNVBAGLBSA-N 1 2 218.304 2.063 20 30 BEEDLO C=C[C@@H]1CCCCN1c1cc(NC)nc[nH+]1 ZINC000893551735 583162582 /nfs/dbraw/zinc/16/25/82/583162582.db2.gz NPDWABJDORDABV-SNVBAGLBSA-N 1 2 218.304 2.063 20 30 BEEDLO CCc1[nH]nc(Cl)c1C[NH2+]CC(C)(C)C#N ZINC000893551811 583163004 /nfs/dbraw/zinc/16/30/04/583163004.db2.gz PIDSPPVXNROHIC-UHFFFAOYSA-N 1 2 240.738 2.265 20 30 BEEDLO Cc1noc2ncc(C[N@@H+](C)C[C@@H](C)C#N)cc12 ZINC000893961677 583256609 /nfs/dbraw/zinc/25/66/09/583256609.db2.gz IDOIFPGRULCCDT-VIFPVBQESA-N 1 2 244.298 2.123 20 30 BEEDLO Cc1noc2ncc(C[N@H+](C)C[C@@H](C)C#N)cc12 ZINC000893961677 583256610 /nfs/dbraw/zinc/25/66/10/583256610.db2.gz IDOIFPGRULCCDT-VIFPVBQESA-N 1 2 244.298 2.123 20 30 BEEDLO Cc1ncoc1C[N@H+](CCC#N)CC1CC1 ZINC000894003978 583272292 /nfs/dbraw/zinc/27/22/92/583272292.db2.gz VIAXECUGKLZURF-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1ncoc1C[N@@H+](CCC#N)CC1CC1 ZINC000894003978 583272295 /nfs/dbraw/zinc/27/22/95/583272295.db2.gz VIAXECUGKLZURF-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(Cl)n[nH]c1CC ZINC000894060846 583292955 /nfs/dbraw/zinc/29/29/55/583292955.db2.gz ZTNGGRMMSKNVIW-MRVPVSSYSA-N 1 2 225.723 2.079 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1c(Cl)n[nH]c1CC ZINC000894060846 583292956 /nfs/dbraw/zinc/29/29/56/583292956.db2.gz ZTNGGRMMSKNVIW-MRVPVSSYSA-N 1 2 225.723 2.079 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(CC)[nH+]c(CC)n1 ZINC000894066860 583293805 /nfs/dbraw/zinc/29/38/05/583293805.db2.gz GGTWDZKYPRLPFE-NEPJUHHUSA-N 1 2 247.342 2.357 20 30 BEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cccc([C@H](C)O)[nH+]1 ZINC000894079968 583298720 /nfs/dbraw/zinc/29/87/20/583298720.db2.gz UFXFOPGKPZRVNI-UHTWSYAYSA-N 1 2 248.326 2.280 20 30 BEEDLO C=CCC[C@@H](CO)Nc1cc(CC)[nH+]c(CC)n1 ZINC000894112449 583308914 /nfs/dbraw/zinc/30/89/14/583308914.db2.gz GSKCTRAVTBELCJ-LBPRGKRZSA-N 1 2 249.358 2.340 20 30 BEEDLO CCOc1cc(F)cc(C[NH2+]CCC#N)c1 ZINC000877482375 583317654 /nfs/dbraw/zinc/31/76/54/583317654.db2.gz AAFQQDNBLXJWST-UHFFFAOYSA-N 1 2 222.263 2.228 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]/CC[C@H](C)OC ZINC000726429238 583353675 /nfs/dbraw/zinc/35/36/75/583353675.db2.gz LSXOUNHZMMQLFO-RSYJBZMQSA-N 1 2 237.299 2.245 20 30 BEEDLO C#CC[C@H]1CCCN(c2cccc([C@H](C)O)[nH+]2)C1 ZINC000894348636 583432405 /nfs/dbraw/zinc/43/24/05/583432405.db2.gz DPTRRBORDVCRFG-STQMWFEESA-N 1 2 244.338 2.375 20 30 BEEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1CCC1=O ZINC000857234479 588899095 /nfs/dbraw/zinc/89/90/95/588899095.db2.gz KUSFFGAHVXHBFH-UHFFFAOYSA-N 1 2 244.338 2.255 20 30 BEEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1CCC1=O ZINC000857234479 588899096 /nfs/dbraw/zinc/89/90/96/588899096.db2.gz KUSFFGAHVXHBFH-UHFFFAOYSA-N 1 2 244.338 2.255 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000894469633 583468087 /nfs/dbraw/zinc/46/80/87/583468087.db2.gz OHPFTPUGDGVVLA-JTQLQIEISA-N 1 2 220.320 2.315 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1nccn2c[nH+]cc12 ZINC000894609308 583491838 /nfs/dbraw/zinc/49/18/38/583491838.db2.gz CTQNQRKCZIANMC-TXEJJXNPSA-N 1 2 240.310 2.417 20 30 BEEDLO Cn1cc(C[N@H+](C)CC(C)(C)C#N)c(C2CC2)n1 ZINC000894609452 583492184 /nfs/dbraw/zinc/49/21/84/583492184.db2.gz FGFKNSIAZDFVNV-UHFFFAOYSA-N 1 2 246.358 2.279 20 30 BEEDLO Cn1cc(C[N@@H+](C)CC(C)(C)C#N)c(C2CC2)n1 ZINC000894609452 583492186 /nfs/dbraw/zinc/49/21/86/583492186.db2.gz FGFKNSIAZDFVNV-UHFFFAOYSA-N 1 2 246.358 2.279 20 30 BEEDLO C=C(Cl)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857856822 588913024 /nfs/dbraw/zinc/91/30/24/588913024.db2.gz CXQLOINGYVJNJO-VIFPVBQESA-N 1 2 211.696 2.129 20 30 BEEDLO C=C(Cl)C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857856822 588913025 /nfs/dbraw/zinc/91/30/25/588913025.db2.gz CXQLOINGYVJNJO-VIFPVBQESA-N 1 2 211.696 2.129 20 30 BEEDLO CC(=[NH+]N[C@@H](C)CC#N)c1cc(N)ccc1F ZINC000814881101 583577006 /nfs/dbraw/zinc/57/70/06/583577006.db2.gz IPRMEOLTWNXEFQ-QMMMGPOBSA-N 1 2 234.278 2.024 20 30 BEEDLO C[C@@H]1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)C1 ZINC000814885550 583595788 /nfs/dbraw/zinc/59/57/88/583595788.db2.gz CYZQJSZKEXORST-YUSALJHKSA-N 1 2 234.347 2.022 20 30 BEEDLO F[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000895192152 583621945 /nfs/dbraw/zinc/62/19/45/583621945.db2.gz YDHCYJUYNGGOEJ-CQSZACIVSA-N 1 2 217.287 2.472 20 30 BEEDLO F[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000895192152 583621946 /nfs/dbraw/zinc/62/19/46/583621946.db2.gz YDHCYJUYNGGOEJ-CQSZACIVSA-N 1 2 217.287 2.472 20 30 BEEDLO C=CC(C)(C)NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000895213858 583628163 /nfs/dbraw/zinc/62/81/63/583628163.db2.gz FARCBURELZOBKT-VHSXEESVSA-N 1 2 248.330 2.153 20 30 BEEDLO CSCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000727487208 583659977 /nfs/dbraw/zinc/65/99/77/583659977.db2.gz DRXZYLZRJSIZSQ-UHFFFAOYSA-N 1 2 244.747 2.340 20 30 BEEDLO C#Cc1ccc(C[N@@H+]2CCc3ncncc3C2)cc1 ZINC000895724952 583713215 /nfs/dbraw/zinc/71/32/15/583713215.db2.gz WWFSXCMNOOGHCB-UHFFFAOYSA-N 1 2 249.317 2.016 20 30 BEEDLO C#Cc1ccc(C[N@H+]2CCc3ncncc3C2)cc1 ZINC000895724952 583713217 /nfs/dbraw/zinc/71/32/17/583713217.db2.gz WWFSXCMNOOGHCB-UHFFFAOYSA-N 1 2 249.317 2.016 20 30 BEEDLO C#CCN(Cc1[nH]cc(C(C)C)[nH+]1)C1CSC1 ZINC000895810694 583730183 /nfs/dbraw/zinc/73/01/83/583730183.db2.gz ISRFNWZXOBYSKU-UHFFFAOYSA-N 1 2 249.383 2.084 20 30 BEEDLO C#CCN(Cc1c[nH+]cn1C(C)C)C1CSC1 ZINC000895814528 583733799 /nfs/dbraw/zinc/73/37/99/583733799.db2.gz VFLYRUKEWJFEAZ-UHFFFAOYSA-N 1 2 249.383 2.015 20 30 BEEDLO C#CC[N@@H+](Cc1ccccc1OC)C1CSC1 ZINC000895814692 583734036 /nfs/dbraw/zinc/73/40/36/583734036.db2.gz WXEFBCMBMMMJSK-UHFFFAOYSA-N 1 2 247.363 2.246 20 30 BEEDLO C#CC[N@H+](Cc1ccccc1OC)C1CSC1 ZINC000895814692 583734037 /nfs/dbraw/zinc/73/40/37/583734037.db2.gz WXEFBCMBMMMJSK-UHFFFAOYSA-N 1 2 247.363 2.246 20 30 BEEDLO C=CCC1(C(=O)N[C@@H]2CCn3c[nH+]cc32)CCC1 ZINC000857978961 588927690 /nfs/dbraw/zinc/92/76/90/588927690.db2.gz MGWHCGGWUUGMTA-LLVKDONJSA-N 1 2 245.326 2.191 20 30 BEEDLO C#CCCCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981368 588927840 /nfs/dbraw/zinc/92/78/40/588927840.db2.gz CIGSJOPQPQENRA-GFCCVEGCSA-N 1 2 245.326 2.028 20 30 BEEDLO C=CC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896414053 583801304 /nfs/dbraw/zinc/80/13/04/583801304.db2.gz JPVXWXSWYYMADF-JTQLQIEISA-N 1 2 235.331 2.007 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2cn3ccnc3s2)C1 ZINC000896501433 583807616 /nfs/dbraw/zinc/80/76/16/583807616.db2.gz RSTGCCHIMOGWHE-JTQLQIEISA-N 1 2 246.339 2.131 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2cn3ccnc3s2)C1 ZINC000896501433 583807617 /nfs/dbraw/zinc/80/76/17/583807617.db2.gz RSTGCCHIMOGWHE-JTQLQIEISA-N 1 2 246.339 2.131 20 30 BEEDLO CCC1(C/[NH+]=C/c2cccc(OC)c2O)COC1 ZINC000840709207 583855126 /nfs/dbraw/zinc/85/51/26/583855126.db2.gz LJFKAZCANKAVFM-VIZOYTHASA-N 1 2 249.310 2.246 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000897168526 583887909 /nfs/dbraw/zinc/88/79/09/583887909.db2.gz APBAENGWKFFNSE-UHFFFAOYSA-N 1 2 225.238 2.126 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000897168526 583887910 /nfs/dbraw/zinc/88/79/10/583887910.db2.gz APBAENGWKFFNSE-UHFFFAOYSA-N 1 2 225.238 2.126 20 30 BEEDLO Cc1cc(N[C@@H]2C[C@@H]3CCC[C@@H]23)c(C#N)c[nH+]1 ZINC000897177476 583890646 /nfs/dbraw/zinc/89/06/46/583890646.db2.gz QFSHSJDMNDLOOW-ZKYQVNSYSA-N 1 2 227.311 2.284 20 30 BEEDLO c1cnn([NH+]=C2CC(OCc3ccccc3)C2)c1 ZINC000863163580 583979633 /nfs/dbraw/zinc/97/96/33/583979633.db2.gz JMTKZTLKIQCXSE-UHFFFAOYSA-N 1 2 241.294 2.466 20 30 BEEDLO CCC[C@@H](C)C[N@@H+]1CCO[C@@](C)(C#N)C1 ZINC000897584458 584022097 /nfs/dbraw/zinc/02/20/97/584022097.db2.gz HDTQNQQVJPRHDD-NEPJUHHUSA-N 1 2 210.321 2.037 20 30 BEEDLO CCC[C@@H](C)C[N@H+]1CCO[C@@](C)(C#N)C1 ZINC000897584458 584022099 /nfs/dbraw/zinc/02/20/99/584022099.db2.gz HDTQNQQVJPRHDD-NEPJUHHUSA-N 1 2 210.321 2.037 20 30 BEEDLO CCC[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(=O)OC ZINC000897835501 584053662 /nfs/dbraw/zinc/05/36/62/584053662.db2.gz KQUSMZAXLTUFCC-QJPTWQEYSA-N 1 2 238.331 2.000 20 30 BEEDLO C=C1CCC(C(=O)NC2=[NH+]C[C@H](C)S2)CC1 ZINC000898016917 584075138 /nfs/dbraw/zinc/07/51/38/584075138.db2.gz HWYJWSKJJGEUOV-VIFPVBQESA-N 1 2 238.356 2.340 20 30 BEEDLO CC[C@H](CCO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866272081 584117198 /nfs/dbraw/zinc/11/71/98/584117198.db2.gz RZEUAJHASQSBIY-ZYHUDNBSSA-N 1 2 248.326 2.075 20 30 BEEDLO N#CCC[C@H](C#N)C[NH+]1CC(Cc2ccoc2)C1 ZINC000899916993 584254740 /nfs/dbraw/zinc/25/47/40/584254740.db2.gz SCIVMHYARPGSLM-CYBMUJFWSA-N 1 2 243.310 2.197 20 30 BEEDLO C#CC[C@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000858598362 588970356 /nfs/dbraw/zinc/97/03/56/588970356.db2.gz DDPXHKKYACUXNH-LBPRGKRZSA-N 1 2 230.311 2.330 20 30 BEEDLO N#CC1(CNc2cc[nH+]c(CO)c2)CCCCC1 ZINC000858627297 588972014 /nfs/dbraw/zinc/97/20/14/588972014.db2.gz BRPISDKKLRTOPG-UHFFFAOYSA-N 1 2 245.326 2.460 20 30 BEEDLO C#CC[C@H](COC)Nc1cc[nH+]c(C(C)C)n1 ZINC000858860055 588979895 /nfs/dbraw/zinc/97/98/95/588979895.db2.gz YGVRMFMAFWBKEP-LLVKDONJSA-N 1 2 233.315 2.050 20 30 BEEDLO CCn1c[nH+]c(CN=Nc2ncccc2C)c1 ZINC000901232519 584404169 /nfs/dbraw/zinc/40/41/69/584404169.db2.gz APPAOCBQJXIGNT-UHFFFAOYSA-N 1 2 229.287 2.052 20 30 BEEDLO CC(C)c1c[nH]c(C=CC(=O)c2nccn2C)[nH+]1 ZINC000901474832 584448167 /nfs/dbraw/zinc/44/81/67/584448167.db2.gz XOWVVDNVSILWNS-PLNGDYQASA-N 1 2 244.298 2.163 20 30 BEEDLO CC(C)c1c[nH]c(C=CC(=O)c2ncco2)[nH+]1 ZINC000901517300 584462122 /nfs/dbraw/zinc/46/21/22/584462122.db2.gz ZKWNLDLWVRQOFB-ONEGZZNKSA-N 1 2 231.255 2.417 20 30 BEEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccn(C)n1 ZINC000901544715 584464018 /nfs/dbraw/zinc/46/40/18/584464018.db2.gz YRZBNEBTHGTZLK-SNAWJCMRSA-N 1 2 244.298 2.094 20 30 BEEDLO C=C(C)C[N@H+](C)CN1Cc2ccccc2C1=O ZINC000902212786 584535705 /nfs/dbraw/zinc/53/57/05/584535705.db2.gz KJHLOIPNIJATNP-UHFFFAOYSA-N 1 2 230.311 2.108 20 30 BEEDLO C=C(C)C[N@@H+](C)CN1Cc2ccccc2C1=O ZINC000902212786 584535707 /nfs/dbraw/zinc/53/57/07/584535707.db2.gz KJHLOIPNIJATNP-UHFFFAOYSA-N 1 2 230.311 2.108 20 30 BEEDLO CCn1c[nH+]cc1CNc1cc(C#N)cc(C)n1 ZINC000902217776 584539548 /nfs/dbraw/zinc/53/95/48/584539548.db2.gz MLHYHDURHJQRRS-UHFFFAOYSA-N 1 2 241.298 2.090 20 30 BEEDLO C=CCCC[N@@H+](CC)Cn1ncn(C)c1=S ZINC000902669669 584654179 /nfs/dbraw/zinc/65/41/79/584654179.db2.gz PMNHANVXJWNPTG-UHFFFAOYSA-N 1 2 240.376 2.197 20 30 BEEDLO C=CCCC[N@H+](CC)Cn1ncn(C)c1=S ZINC000902669669 584654180 /nfs/dbraw/zinc/65/41/80/584654180.db2.gz PMNHANVXJWNPTG-UHFFFAOYSA-N 1 2 240.376 2.197 20 30 BEEDLO Cc1cc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)on1 ZINC000902793910 584673451 /nfs/dbraw/zinc/67/34/51/584673451.db2.gz ORSYGNGVFZLQAU-JTQLQIEISA-N 1 2 242.282 2.101 20 30 BEEDLO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)nn1C ZINC000903031099 584718115 /nfs/dbraw/zinc/71/81/15/584718115.db2.gz BIHFYADKJYIMRL-LLVKDONJSA-N 1 2 232.331 2.073 20 30 BEEDLO N#CC1(C[NH2+][C@@H]2CCCn3ccnc32)CCC1 ZINC000903034924 584718975 /nfs/dbraw/zinc/71/89/75/584718975.db2.gz FZWYIHZJYOVAFT-LLVKDONJSA-N 1 2 230.315 2.001 20 30 BEEDLO CCn1ccnc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903035511 584719017 /nfs/dbraw/zinc/71/90/17/584719017.db2.gz QNUQRZILDISCTR-NSHDSACASA-N 1 2 232.331 2.247 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ncccc1Cl ZINC000859156667 589010973 /nfs/dbraw/zinc/01/09/73/589010973.db2.gz UBYROSXNGHETBL-UHFFFAOYSA-N 1 2 208.692 2.190 20 30 BEEDLO C#CC[N@H+](CC)Cc1ncccc1Cl ZINC000859156667 589010975 /nfs/dbraw/zinc/01/09/75/589010975.db2.gz UBYROSXNGHETBL-UHFFFAOYSA-N 1 2 208.692 2.190 20 30 BEEDLO C=CC[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000731668468 584927984 /nfs/dbraw/zinc/92/79/84/584927984.db2.gz RCXLWQAIZABZMF-AWEZNQCLSA-N 1 2 245.322 2.380 20 30 BEEDLO C=CC[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000731668468 584927985 /nfs/dbraw/zinc/92/79/85/584927985.db2.gz RCXLWQAIZABZMF-AWEZNQCLSA-N 1 2 245.322 2.380 20 30 BEEDLO CON=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000767478579 584945009 /nfs/dbraw/zinc/94/50/09/584945009.db2.gz ZBFDIXOAFKQHNZ-UHFFFAOYSA-N 1 2 215.256 2.243 20 30 BEEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)OCCCC ZINC000741788070 584956615 /nfs/dbraw/zinc/95/66/15/584956615.db2.gz XVRBETDXZHHXIY-LBPRGKRZSA-N 1 2 225.332 2.392 20 30 BEEDLO C#CC[N@@H+](Cc1nonc1C)C1CCCCC1 ZINC000734147590 584957351 /nfs/dbraw/zinc/95/73/51/584957351.db2.gz WJFSIXOMJOKAQX-UHFFFAOYSA-N 1 2 233.315 2.146 20 30 BEEDLO C#CC[N@H+](Cc1nonc1C)C1CCCCC1 ZINC000734147590 584957352 /nfs/dbraw/zinc/95/73/52/584957352.db2.gz WJFSIXOMJOKAQX-UHFFFAOYSA-N 1 2 233.315 2.146 20 30 BEEDLO C#CC[C@@H]([NH2+]CC1CCCCCC1)C(=O)OC ZINC000839165760 585095041 /nfs/dbraw/zinc/09/50/41/585095041.db2.gz CWJGUDAQTZGLDD-CYBMUJFWSA-N 1 2 237.343 2.111 20 30 BEEDLO C#CC[C@@H]([NH2+][C@H](CCC)CCC=C)C(=O)OC ZINC000839166770 585095438 /nfs/dbraw/zinc/09/54/38/585095438.db2.gz AXDQGEQPODLAAX-CHWSQXEVSA-N 1 2 237.343 2.276 20 30 BEEDLO C#CC[C@@H]([NH2+][C@@H](C)CCCC(C)C)C(=O)OC ZINC000839167131 585095444 /nfs/dbraw/zinc/09/54/44/585095444.db2.gz CSNPBRIGYOJHJG-QWHCGFSZSA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@@H]([NH2+][C@H](C)CC1CCCC1)C(=O)OC ZINC000839169701 585095999 /nfs/dbraw/zinc/09/59/99/585095999.db2.gz UWOBUEOTBLETHT-DGCLKSJQSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@@H]([NH2+][C@H](C)CCC=C(C)C)C(=O)OC ZINC000839169934 585096256 /nfs/dbraw/zinc/09/62/56/585096256.db2.gz VSRMVYYUYWYXOJ-CHWSQXEVSA-N 1 2 237.343 2.276 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1cc(C)cc(C)c1 ZINC000839187051 585096901 /nfs/dbraw/zinc/09/69/01/585096901.db2.gz ZZVRKNCMEQZJFN-HNNXBMFYSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC000839187051 585096902 /nfs/dbraw/zinc/09/69/02/585096902.db2.gz ZZVRKNCMEQZJFN-HNNXBMFYSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(CC)cc1 ZINC000839186680 585096921 /nfs/dbraw/zinc/09/69/21/585096921.db2.gz PGWNXVISXGTUFL-OAHLLOKOSA-N 1 2 229.323 2.083 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(CC)cc1 ZINC000839186680 585096922 /nfs/dbraw/zinc/09/69/22/585096922.db2.gz PGWNXVISXGTUFL-OAHLLOKOSA-N 1 2 229.323 2.083 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1C/C(C)=C\c1ccccc1 ZINC000839186648 585096937 /nfs/dbraw/zinc/09/69/37/585096937.db2.gz NHHNHUASMIQTJW-QBOMHBFWSA-N 1 2 241.334 2.424 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1C/C(C)=C\c1ccccc1 ZINC000839186648 585096938 /nfs/dbraw/zinc/09/69/38/585096938.db2.gz NHHNHUASMIQTJW-QBOMHBFWSA-N 1 2 241.334 2.424 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](C)c1ccc(F)cc1 ZINC000839189855 585096940 /nfs/dbraw/zinc/09/69/40/585096940.db2.gz YKYXAPJZXAMRMJ-IUODEOHRSA-N 1 2 247.313 2.263 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](C)c1ccc(F)cc1 ZINC000839189855 585096941 /nfs/dbraw/zinc/09/69/41/585096941.db2.gz YKYXAPJZXAMRMJ-IUODEOHRSA-N 1 2 247.313 2.263 20 30 BEEDLO Cc1ccccc1[C@@H](O)C[N@@H+](C)C[C@@H](C)C#N ZINC000741784884 585118540 /nfs/dbraw/zinc/11/85/40/585118540.db2.gz WVNCBTZZAGBDRP-FZMZJTMJSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1ccccc1[C@@H](O)C[N@H+](C)C[C@@H](C)C#N ZINC000741784884 585118541 /nfs/dbraw/zinc/11/85/41/585118541.db2.gz WVNCBTZZAGBDRP-FZMZJTMJSA-N 1 2 232.327 2.120 20 30 BEEDLO Oc1ccccc1/C=[NH+]/CCOC1CCC1 ZINC000743044595 585133545 /nfs/dbraw/zinc/13/35/45/585133545.db2.gz MPJLSIVJIGUQBT-GXDHUFHOSA-N 1 2 219.284 2.380 20 30 BEEDLO Cc1cc(C)cc([C@H](O)C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000743843946 585140211 /nfs/dbraw/zinc/14/02/11/585140211.db2.gz HFFKBDRVPRDROJ-UKRRQHHQSA-N 1 2 246.354 2.428 20 30 BEEDLO Cc1cc(C)cc([C@H](O)C[N@H+](C)C[C@H](C)C#N)c1 ZINC000743843946 585140212 /nfs/dbraw/zinc/14/02/12/585140212.db2.gz HFFKBDRVPRDROJ-UKRRQHHQSA-N 1 2 246.354 2.428 20 30 BEEDLO C1CC2(C1)CC(N=NC1=[NH+][C@H]3CCCC[C@@H]3N1)C2 ZINC000753928803 585272313 /nfs/dbraw/zinc/27/23/13/585272313.db2.gz MYQNUUMSBSTOAV-RYUDHWBXSA-N 1 2 246.358 2.167 20 30 BEEDLO CC1(C)CCCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753934782 585272378 /nfs/dbraw/zinc/27/23/78/585272378.db2.gz KLZWPQFMIWDCQR-GHMZBOCLSA-N 1 2 248.374 2.413 20 30 BEEDLO C(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)C1CCCCC1 ZINC000753937801 585272383 /nfs/dbraw/zinc/27/23/83/585272383.db2.gz HBUJBOHGTHZVAC-CHWSQXEVSA-N 1 2 248.374 2.413 20 30 BEEDLO CC[C@@H]1CCCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753940339 585272470 /nfs/dbraw/zinc/27/24/70/585272470.db2.gz UGFNCSVUMFULCH-RAIGVLPGSA-N 1 2 248.374 2.413 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNc1ccc(C)cc1 ZINC000755464838 585300027 /nfs/dbraw/zinc/30/00/27/585300027.db2.gz CIBIQUOKWICDFH-UHFFFAOYSA-N 1 2 214.272 2.473 20 30 BEEDLO COc1cccc(NN=Cc2[nH+]c[nH]c2C)c1 ZINC000755607942 585301636 /nfs/dbraw/zinc/30/16/36/585301636.db2.gz DZRAZBSZOHYAEC-UHFFFAOYSA-N 1 2 230.271 2.173 20 30 BEEDLO CON=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000755635335 585303129 /nfs/dbraw/zinc/30/31/29/585303129.db2.gz WVJQPCHHVLONDS-UHFFFAOYSA-N 1 2 217.272 2.438 20 30 BEEDLO C#CCCCNc1nc(N)c2ccccc2[nH+]1 ZINC000764155632 585460732 /nfs/dbraw/zinc/46/07/32/585460732.db2.gz FNTOHLGCGNGVBG-UHFFFAOYSA-N 1 2 226.283 2.037 20 30 BEEDLO C#CC[N@H+](Cc1n[nH]c2ccccc21)C1CC1 ZINC000764681733 585470884 /nfs/dbraw/zinc/47/08/84/585470884.db2.gz HRSFRTZYBXOVGY-UHFFFAOYSA-N 1 2 225.295 2.161 20 30 BEEDLO C#CC[N@@H+](Cc1n[nH]c2ccccc21)C1CC1 ZINC000764681733 585470885 /nfs/dbraw/zinc/47/08/85/585470885.db2.gz HRSFRTZYBXOVGY-UHFFFAOYSA-N 1 2 225.295 2.161 20 30 BEEDLO CC#CCCOC(=O)c1ccc(C)[nH+]c1NC ZINC000765442695 585486476 /nfs/dbraw/zinc/48/64/76/585486476.db2.gz AMPWPXYYWCTKKE-UHFFFAOYSA-N 1 2 232.283 2.002 20 30 BEEDLO COc1cc(C(=O)/C=C/c2[nH]cc[nH+]2)ccc1F ZINC000765616049 585491423 /nfs/dbraw/zinc/49/14/23/585491423.db2.gz INKVIPIGPUMJMY-SNAWJCMRSA-N 1 2 246.241 2.454 20 30 BEEDLO C#CCCCO[NH+]=C(N)c1cccc(F)c1 ZINC000766741234 585507661 /nfs/dbraw/zinc/50/76/61/585507661.db2.gz FJXTTYLTCRHLEI-UHFFFAOYSA-N 1 2 220.247 2.086 20 30 BEEDLO CON=C(C)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000767491264 585521052 /nfs/dbraw/zinc/52/10/52/585521052.db2.gz SFJWZIVILZLHLD-AWEZNQCLSA-N 1 2 248.326 2.082 20 30 BEEDLO CCOC(C[N@@H+]1CCC[C@](C)(C#N)C1)OCC ZINC000767837142 585526509 /nfs/dbraw/zinc/52/65/09/585526509.db2.gz RGOIMKWACOVMHP-CYBMUJFWSA-N 1 2 240.347 2.011 20 30 BEEDLO CCOC(C[N@H+]1CCC[C@](C)(C#N)C1)OCC ZINC000767837142 585526510 /nfs/dbraw/zinc/52/65/10/585526510.db2.gz RGOIMKWACOVMHP-CYBMUJFWSA-N 1 2 240.347 2.011 20 30 BEEDLO CC(C)OCC(N)=[NH+]OCCCC(C)(C)C#N ZINC000771184128 585591371 /nfs/dbraw/zinc/59/13/71/585591371.db2.gz ZLXXBFHNTFFYKF-UHFFFAOYSA-N 1 2 241.335 2.240 20 30 BEEDLO C=C(CC)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000773181227 585633155 /nfs/dbraw/zinc/63/31/55/585633155.db2.gz HKGOFRQEKICYIH-UHFFFAOYSA-N 1 2 239.344 2.459 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1coc(C2CC2)n1 ZINC000775180487 585673166 /nfs/dbraw/zinc/67/31/66/585673166.db2.gz YDMZGUWWZJOCQD-SECBINFHSA-N 1 2 204.273 2.006 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000775180487 585673167 /nfs/dbraw/zinc/67/31/67/585673167.db2.gz YDMZGUWWZJOCQD-SECBINFHSA-N 1 2 204.273 2.006 20 30 BEEDLO CCc1nn(C)cc1C[N@H+](CCC#N)CC(C)C ZINC000775643227 585682116 /nfs/dbraw/zinc/68/21/16/585682116.db2.gz OCPSPYNSEILGOK-UHFFFAOYSA-N 1 2 248.374 2.354 20 30 BEEDLO CCc1nn(C)cc1C[N@@H+](CCC#N)CC(C)C ZINC000775643227 585682117 /nfs/dbraw/zinc/68/21/17/585682117.db2.gz OCPSPYNSEILGOK-UHFFFAOYSA-N 1 2 248.374 2.354 20 30 BEEDLO C#C[C@H]([NH2+]Cc1ncc(C(C)C)o1)[C@@H]1CCCO1 ZINC000775795181 585685322 /nfs/dbraw/zinc/68/53/22/585685322.db2.gz UWKJNCWGCGVNAV-RYUDHWBXSA-N 1 2 248.326 2.068 20 30 BEEDLO Cc1cc[nH+]cc1CCC=Nn1ccccc1=O ZINC000776733549 585703490 /nfs/dbraw/zinc/70/34/90/585703490.db2.gz LOPOBQDHMPVXJE-UHFFFAOYSA-N 1 2 241.294 2.018 20 30 BEEDLO C=CC[N@@H+](C)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000777541682 585714636 /nfs/dbraw/zinc/71/46/36/585714636.db2.gz QPSZCTGPPHUASS-JSGCOSHPSA-N 1 2 244.338 2.281 20 30 BEEDLO C=CC[N@H+](C)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000777541682 585714637 /nfs/dbraw/zinc/71/46/37/585714637.db2.gz QPSZCTGPPHUASS-JSGCOSHPSA-N 1 2 244.338 2.281 20 30 BEEDLO C=C(C)C[N@@H+](C)CC(=O)OCc1ccccc1 ZINC000778232349 585728532 /nfs/dbraw/zinc/72/85/32/585728532.db2.gz QQCKKIQMJBMVBQ-UHFFFAOYSA-N 1 2 233.311 2.238 20 30 BEEDLO C=C(C)C[N@H+](C)CC(=O)OCc1ccccc1 ZINC000778232349 585728533 /nfs/dbraw/zinc/72/85/33/585728533.db2.gz QQCKKIQMJBMVBQ-UHFFFAOYSA-N 1 2 233.311 2.238 20 30 BEEDLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000779021792 585744499 /nfs/dbraw/zinc/74/44/99/585744499.db2.gz ZNWGEFOWPZVFFD-JTQLQIEISA-N 1 2 240.310 2.441 20 30 BEEDLO C=CC[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000779188462 585746793 /nfs/dbraw/zinc/74/67/93/585746793.db2.gz OJWULHIFYFGNET-UHFFFAOYSA-N 1 2 234.130 2.345 20 30 BEEDLO C=CC[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000779188462 585746794 /nfs/dbraw/zinc/74/67/94/585746794.db2.gz OJWULHIFYFGNET-UHFFFAOYSA-N 1 2 234.130 2.345 20 30 BEEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)cn2)cs1 ZINC000780553988 585780890 /nfs/dbraw/zinc/78/08/90/585780890.db2.gz HKIGDPOTBCXEHV-UHFFFAOYSA-N 1 2 244.323 2.008 20 30 BEEDLO CCOCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000782315540 585814957 /nfs/dbraw/zinc/81/49/57/585814957.db2.gz WVENRJQLICSLRS-UHFFFAOYSA-N 1 2 242.706 2.013 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNCCC(C)(C)C ZINC000782908780 585826271 /nfs/dbraw/zinc/82/62/71/585826271.db2.gz ZGONUVUZRXVNIE-UHFFFAOYSA-N 1 2 208.309 2.078 20 30 BEEDLO C#CCCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783159313 585828772 /nfs/dbraw/zinc/82/87/72/585828772.db2.gz XHQSIXMYHBKWME-UHFFFAOYSA-N 1 2 234.274 2.280 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1nccs1 ZINC000783300927 585833353 /nfs/dbraw/zinc/83/33/53/585833353.db2.gz RSIQRKMNGVWMOK-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO CC1(C)CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)C1 ZINC000783863908 585845097 /nfs/dbraw/zinc/84/50/97/585845097.db2.gz SHNVRAWHPRMZTP-VXGBXAGGSA-N 1 2 248.374 2.413 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(CC)s1)C(C)C ZINC000784133817 585850782 /nfs/dbraw/zinc/85/07/82/585850782.db2.gz APUUERJAHLTUPJ-UHFFFAOYSA-N 1 2 225.361 2.497 20 30 BEEDLO C=CC[N@H+](Cc1nnc(CC)s1)C(C)C ZINC000784133817 585850783 /nfs/dbraw/zinc/85/07/83/585850783.db2.gz APUUERJAHLTUPJ-UHFFFAOYSA-N 1 2 225.361 2.497 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)OCCn1cc[nH+]c1 ZINC000785762435 585880061 /nfs/dbraw/zinc/88/00/61/585880061.db2.gz TWCFFERPICEEQV-LBPRGKRZSA-N 1 2 222.288 2.029 20 30 BEEDLO C=CCC[N@@H+](C)Cn1nc(C)sc1=S ZINC000786101565 585887451 /nfs/dbraw/zinc/88/74/51/585887451.db2.gz MFXLZPMBEYCGAS-UHFFFAOYSA-N 1 2 229.374 2.448 20 30 BEEDLO C=CCC[N@H+](C)Cn1nc(C)sc1=S ZINC000786101565 585887452 /nfs/dbraw/zinc/88/74/52/585887452.db2.gz MFXLZPMBEYCGAS-UHFFFAOYSA-N 1 2 229.374 2.448 20 30 BEEDLO C#CCOc1cccc(Cl)c1C[NH2+]CCC#N ZINC000787300812 585906526 /nfs/dbraw/zinc/90/65/26/585906526.db2.gz YKSBJXLMORJMPS-UHFFFAOYSA-N 1 2 248.713 2.355 20 30 BEEDLO CC[C@@H](C)NN=Cc1cccc2[nH+]ccn21 ZINC000790191480 585960927 /nfs/dbraw/zinc/96/09/27/585960927.db2.gz ZDGDZFQVNZKHGH-SNVBAGLBSA-N 1 2 216.288 2.056 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1ccc(F)cc1F ZINC000790299559 585962614 /nfs/dbraw/zinc/96/26/14/585962614.db2.gz FNIMKIZVGMIGLE-UHFFFAOYSA-N 1 2 236.225 2.144 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1ccc(F)cc1 ZINC000790305268 585963272 /nfs/dbraw/zinc/96/32/72/585963272.db2.gz HNLYSPFKJBEKTN-UHFFFAOYSA-N 1 2 218.235 2.005 20 30 BEEDLO Cc1cc(C=NNc2[nH+]ccn2C)cc(C)c1O ZINC000790304126 585963474 /nfs/dbraw/zinc/96/34/74/585963474.db2.gz ZLMIOFBLHKYAQL-UHFFFAOYSA-N 1 2 244.298 2.189 20 30 BEEDLO C=CCC1(C(=O)OCc2cc[nH+]c(N)c2)CCC1 ZINC000792170588 585996934 /nfs/dbraw/zinc/99/69/34/585996934.db2.gz IOHFTIGXHWYTOK-UHFFFAOYSA-N 1 2 246.310 2.453 20 30 BEEDLO Cc1[nH+]c[nH]c1CN=Nc1cccc(Cl)n1 ZINC000793174682 586012990 /nfs/dbraw/zinc/01/29/90/586012990.db2.gz KYRJOSCKJOUDIZ-UHFFFAOYSA-N 1 2 235.678 2.213 20 30 BEEDLO C#CC[N@@H+](C)[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000859276205 589027525 /nfs/dbraw/zinc/02/75/25/589027525.db2.gz VSAMQYHVHBZPTJ-LBPRGKRZSA-N 1 2 239.359 2.308 20 30 BEEDLO C#CC[N@H+](C)[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000859276205 589027526 /nfs/dbraw/zinc/02/75/26/589027526.db2.gz VSAMQYHVHBZPTJ-LBPRGKRZSA-N 1 2 239.359 2.308 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000794579227 586045161 /nfs/dbraw/zinc/04/51/61/586045161.db2.gz UAKVSQDSTBNZSH-UHFFFAOYSA-N 1 2 235.331 2.211 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000794579227 586045162 /nfs/dbraw/zinc/04/51/62/586045162.db2.gz UAKVSQDSTBNZSH-UHFFFAOYSA-N 1 2 235.331 2.211 20 30 BEEDLO CCn1cc(C/[NH+]=C/c2ccccc2O)cn1 ZINC000794675514 586046236 /nfs/dbraw/zinc/04/62/36/586046236.db2.gz CSKYUBFXSRDEIM-NTEUORMPSA-N 1 2 229.283 2.228 20 30 BEEDLO CC(=[NH+]Nc1cncnc1)c1ccc(N)cc1C ZINC000794976490 586060420 /nfs/dbraw/zinc/06/04/20/586060420.db2.gz LCVGNLRMCBQOFL-UHFFFAOYSA-N 1 2 241.298 2.203 20 30 BEEDLO Cc1[nH+]c(C(C)N=Nc2ncccc2F)cn1C ZINC000794980419 586061166 /nfs/dbraw/zinc/06/11/66/586061166.db2.gz BDKFDHABUNHINE-UHFFFAOYSA-N 1 2 247.277 2.099 20 30 BEEDLO C=CCC(C)(C)C(=O)OCCCn1cc[nH+]c1 ZINC000796463061 586104328 /nfs/dbraw/zinc/10/43/28/586104328.db2.gz KYVOHNFXGFTIDH-UHFFFAOYSA-N 1 2 236.315 2.419 20 30 BEEDLO C#C[C@H](Nc1[nH+]c(C)nc2[nH]ccc21)C(C)C ZINC000798409654 586143474 /nfs/dbraw/zinc/14/34/74/586143474.db2.gz XNIAYJPXEJLDIN-NSHDSACASA-N 1 2 228.299 2.336 20 30 BEEDLO C=CC[C@@H](CC)NC(=O)c1cccc2[nH+]ccn21 ZINC000798554989 586144851 /nfs/dbraw/zinc/14/48/51/586144851.db2.gz WYKNXRMADYUGQQ-LLVKDONJSA-N 1 2 243.310 2.419 20 30 BEEDLO C#CC[N@@H+](Cc1cccc(OC)c1F)C1CC1 ZINC000800520663 586224298 /nfs/dbraw/zinc/22/42/98/586224298.db2.gz MCUCPNSKMGLOEP-UHFFFAOYSA-N 1 2 233.286 2.432 20 30 BEEDLO C#CC[N@H+](Cc1cccc(OC)c1F)C1CC1 ZINC000800520663 586224300 /nfs/dbraw/zinc/22/43/00/586224300.db2.gz MCUCPNSKMGLOEP-UHFFFAOYSA-N 1 2 233.286 2.432 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2cccs2)c1 ZINC000800791528 586228672 /nfs/dbraw/zinc/22/86/72/586228672.db2.gz BNHUQMIFYQJKRG-SNAWJCMRSA-N 1 2 218.281 2.378 20 30 BEEDLO Cc1ccoc1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000800795018 586229457 /nfs/dbraw/zinc/22/94/57/586229457.db2.gz WRHJIPGANTWUIC-ONEGZZNKSA-N 1 2 216.240 2.218 20 30 BEEDLO COc1ccsc1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000800794364 586229539 /nfs/dbraw/zinc/22/95/39/586229539.db2.gz DBYKWXZHUXZCDW-ARJAWSKDSA-N 1 2 248.307 2.386 20 30 BEEDLO CC(=NOCC(C)C)c1cn(C)c(C)[nH+]1 ZINC000800813930 586231599 /nfs/dbraw/zinc/23/15/99/586231599.db2.gz DXBIKVJDRPIADZ-UHFFFAOYSA-N 1 2 209.293 2.125 20 30 BEEDLO CC(=NNC1CCCCC1)c1cn(C)c(C)[nH+]1 ZINC000800816209 586232359 /nfs/dbraw/zinc/23/23/59/586232359.db2.gz FEEQBMSKXABWJD-UHFFFAOYSA-N 1 2 234.347 2.375 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802234804 586297366 /nfs/dbraw/zinc/29/73/66/586297366.db2.gz HUNGYADMPFVYGA-NEPJUHHUSA-N 1 2 243.322 2.176 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802234804 586297368 /nfs/dbraw/zinc/29/73/68/586297368.db2.gz HUNGYADMPFVYGA-NEPJUHHUSA-N 1 2 243.322 2.176 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802234806 586298085 /nfs/dbraw/zinc/29/80/85/586298085.db2.gz HUNGYADMPFVYGA-RYUDHWBXSA-N 1 2 243.322 2.176 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802234806 586298088 /nfs/dbraw/zinc/29/80/88/586298088.db2.gz HUNGYADMPFVYGA-RYUDHWBXSA-N 1 2 243.322 2.176 20 30 BEEDLO CC#CCCCC(=O)OCCCc1[nH+]ccn1C ZINC000802787217 586314207 /nfs/dbraw/zinc/31/42/07/586314207.db2.gz AHKZDGVILPWQIG-UHFFFAOYSA-N 1 2 248.326 2.090 20 30 BEEDLO Nc1ccc(C=[NH+]OCc2ccc(F)cc2)cn1 ZINC000807982769 586454963 /nfs/dbraw/zinc/45/49/63/586454963.db2.gz MRRSHSMJGUPJJI-UHFFFAOYSA-N 1 2 245.257 2.354 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1[nH]ncc1C)c1ccc(F)cc1 ZINC000812794272 586585752 /nfs/dbraw/zinc/58/57/52/586585752.db2.gz XKQOUWVKZOLZFO-CYBMUJFWSA-N 1 2 243.285 2.321 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1n[nH]cc1C)c1ccc(F)cc1 ZINC000812794272 586585753 /nfs/dbraw/zinc/58/57/53/586585753.db2.gz XKQOUWVKZOLZFO-CYBMUJFWSA-N 1 2 243.285 2.321 20 30 BEEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]CC(F)F)cc1 ZINC000813331313 586600315 /nfs/dbraw/zinc/60/03/15/586600315.db2.gz IQBDRVDKBWMREV-VIFPVBQESA-N 1 2 240.253 2.332 20 30 BEEDLO CC(=NOC[C@@H]1CCOC1)c1ccc(C)[nH+]c1C ZINC000814911869 586649424 /nfs/dbraw/zinc/64/94/24/586649424.db2.gz FWRFCHANBMCYKF-CYBMUJFWSA-N 1 2 248.326 2.476 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1ccccc1C#N ZINC000814918220 586650383 /nfs/dbraw/zinc/65/03/83/586650383.db2.gz HCYUGTWLTSAULH-UHFFFAOYSA-N 1 2 239.282 2.128 20 30 BEEDLO C#CCO[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814936371 586654976 /nfs/dbraw/zinc/65/49/76/586654976.db2.gz ODLOEYSZOJMZLT-UHFFFAOYSA-N 1 2 244.294 2.184 20 30 BEEDLO C=CCC(F)(F)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000816144390 586710914 /nfs/dbraw/zinc/71/09/14/586710914.db2.gz XDYLORQCDNILHV-MRVPVSSYSA-N 1 2 243.257 2.188 20 30 BEEDLO Cc1nocc1C[N@@H+](CCC#N)CC(C)C ZINC000816481233 586736304 /nfs/dbraw/zinc/73/63/04/586736304.db2.gz NLRQVIARYLHEPV-UHFFFAOYSA-N 1 2 221.304 2.355 20 30 BEEDLO Cc1nocc1C[N@H+](CCC#N)CC(C)C ZINC000816481233 586736305 /nfs/dbraw/zinc/73/63/05/586736305.db2.gz NLRQVIARYLHEPV-UHFFFAOYSA-N 1 2 221.304 2.355 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816564809 586740286 /nfs/dbraw/zinc/74/02/86/586740286.db2.gz QSDSTQXBEIHDLR-UHFFFAOYSA-N 1 2 213.712 2.081 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1cnn(C)c1Cl ZINC000816564809 586740288 /nfs/dbraw/zinc/74/02/88/586740288.db2.gz QSDSTQXBEIHDLR-UHFFFAOYSA-N 1 2 213.712 2.081 20 30 BEEDLO C[N@H+](Cc1ccc(F)nc1)CC(C)(C)C#N ZINC000816633117 586746522 /nfs/dbraw/zinc/74/65/22/586746522.db2.gz OKSMFGOITPGAHH-UHFFFAOYSA-N 1 2 221.279 2.202 20 30 BEEDLO C[N@@H+](Cc1ccc(F)nc1)CC(C)(C)C#N ZINC000816633117 586746524 /nfs/dbraw/zinc/74/65/24/586746524.db2.gz OKSMFGOITPGAHH-UHFFFAOYSA-N 1 2 221.279 2.202 20 30 BEEDLO C#Cc1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000816642577 586747798 /nfs/dbraw/zinc/74/77/98/586747798.db2.gz DFZYRIFXJOHYFR-UHFFFAOYSA-N 1 2 209.239 2.413 20 30 BEEDLO N#CC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859930549 589071490 /nfs/dbraw/zinc/07/14/90/589071490.db2.gz WIEYFZSLOLNXOM-MELADBBJSA-N 1 2 212.296 2.245 20 30 BEEDLO N#CC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859930549 589071491 /nfs/dbraw/zinc/07/14/91/589071491.db2.gz WIEYFZSLOLNXOM-MELADBBJSA-N 1 2 212.296 2.245 20 30 BEEDLO C=CCC1(C(=O)NC2=[NH+]C[C@@H](C)S2)CCC1 ZINC000819779975 586993767 /nfs/dbraw/zinc/99/37/67/586993767.db2.gz CAUOXFPKHSDWLA-SECBINFHSA-N 1 2 238.356 2.340 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819782574 586994690 /nfs/dbraw/zinc/99/46/90/586994690.db2.gz OKWWVCJXOMNLNN-KWQFWETISA-N 1 2 226.345 2.196 20 30 BEEDLO CC[C@H](C)NN=Cc1c[nH+]cn1C(C)C ZINC000819809872 586995144 /nfs/dbraw/zinc/99/51/44/586995144.db2.gz QBKAOJZLLFYOFI-JTQLQIEISA-N 1 2 208.309 2.186 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1N1CCCC1 ZINC000820598701 587058099 /nfs/dbraw/zinc/05/80/99/587058099.db2.gz HLHDDAOPQZPCQG-UHFFFAOYSA-N 1 2 230.311 2.474 20 30 BEEDLO Cc1ccc(C(=O)/C=C\c2ccc(N)[nH+]c2)o1 ZINC000821038414 587090367 /nfs/dbraw/zinc/09/03/67/587090367.db2.gz IHNYOBXJQDFWGW-HYXAFXHYSA-N 1 2 228.251 2.461 20 30 BEEDLO C#CC[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000826574729 587355439 /nfs/dbraw/zinc/35/54/39/587355439.db2.gz ZAXKZIFXRUHTJK-GFCCVEGCSA-N 1 2 200.285 2.321 20 30 BEEDLO C#CC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000826578513 587355600 /nfs/dbraw/zinc/35/56/00/587355600.db2.gz FTZTUAXBWULBMK-GFCCVEGCSA-N 1 2 215.300 2.025 20 30 BEEDLO COCC[N@H+](CCF)Cc1cc(C#N)cs1 ZINC000827053805 587369244 /nfs/dbraw/zinc/36/92/44/587369244.db2.gz GRRSKDSAUWZHKR-UHFFFAOYSA-N 1 2 242.319 2.038 20 30 BEEDLO COCC[N@@H+](CCF)Cc1cc(C#N)cs1 ZINC000827053805 587369245 /nfs/dbraw/zinc/36/92/45/587369245.db2.gz GRRSKDSAUWZHKR-UHFFFAOYSA-N 1 2 242.319 2.038 20 30 BEEDLO C#CCCCNc1nc(NC)c2ccccc2[nH+]1 ZINC000827697474 587397450 /nfs/dbraw/zinc/39/74/50/587397450.db2.gz WYPRSSJDBCRBQT-UHFFFAOYSA-N 1 2 240.310 2.497 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000830707819 587564780 /nfs/dbraw/zinc/56/47/80/587564780.db2.gz HYBXCLMQGULWJK-JTQLQIEISA-N 1 2 215.724 2.382 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000830707819 587564777 /nfs/dbraw/zinc/56/47/77/587564777.db2.gz HYBXCLMQGULWJK-JTQLQIEISA-N 1 2 215.724 2.382 20 30 BEEDLO C=C1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000830997958 587580865 /nfs/dbraw/zinc/58/08/65/587580865.db2.gz HTPRHNHBWKUJSZ-UHFFFAOYSA-N 1 2 247.342 2.136 20 30 BEEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(F)(F)C(F)F ZINC000831828837 587633340 /nfs/dbraw/zinc/63/33/40/587633340.db2.gz DKNWJINDGOXACE-SFYZADRCSA-N 1 2 241.228 2.210 20 30 BEEDLO C#CCCCCCC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833277972 587704073 /nfs/dbraw/zinc/70/40/73/587704073.db2.gz KYAPTJGLFXKZFB-GFCCVEGCSA-N 1 2 245.326 2.028 20 30 BEEDLO C=C(C)CC[NH2+]c1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000834664910 587763273 /nfs/dbraw/zinc/76/32/73/587763273.db2.gz XWDKWVMMCZGXPN-CQSZACIVSA-N 1 2 246.310 2.290 20 30 BEEDLO CC1(C)CCC(C=[NH+]n2ccnn2)CC1 ZINC000835011131 587777796 /nfs/dbraw/zinc/77/77/96/587777796.db2.gz BOYMLNJVCPPTSO-UHFFFAOYSA-N 1 2 206.293 2.328 20 30 BEEDLO C[C@@H](C=[NH+]n1ccnn1)CCc1ccccc1 ZINC000835011101 587777831 /nfs/dbraw/zinc/77/78/31/587777831.db2.gz BFBRRCWAYPSAQM-GFCCVEGCSA-N 1 2 228.299 2.381 20 30 BEEDLO CC[C@@H](NC(=O)C#CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000837538261 587880429 /nfs/dbraw/zinc/88/04/29/587880429.db2.gz OYGDCUZPBOGCOL-SNVBAGLBSA-N 1 2 233.315 2.027 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)OCCc1c[nH+]cn1C ZINC000837658551 587888399 /nfs/dbraw/zinc/88/83/99/587888399.db2.gz NRUHLJNOYWFVTE-ZDUSSCGKSA-N 1 2 236.315 2.108 20 30 BEEDLO CC(C)(CC#N)C/[NH+]=C\c1cccc(O)c1O ZINC000840712193 587917508 /nfs/dbraw/zinc/91/75/08/587917508.db2.gz XDRXJKLXALBWHQ-NVNXTCNLSA-N 1 2 232.283 2.457 20 30 BEEDLO Oc1ccccc1/C=[NH+]/[C@H]1CC12CCOCC2 ZINC000840709889 587917521 /nfs/dbraw/zinc/91/75/21/587917521.db2.gz OMMVEJOMYNFLIC-LERPTODRSA-N 1 2 231.295 2.380 20 30 BEEDLO N#CC1(CO[NH+]=C(N)Cc2ccccc2)CCC1 ZINC000842022623 587989383 /nfs/dbraw/zinc/98/93/83/587989383.db2.gz ZIQSMBQOIUXIGK-UHFFFAOYSA-N 1 2 243.310 2.421 20 30 BEEDLO C=CCCCCO[NH+]=C(N)Cc1cccnc1 ZINC000842037370 587992030 /nfs/dbraw/zinc/99/20/30/587992030.db2.gz ZYDFBXXWJXGTNF-UHFFFAOYSA-N 1 2 233.315 2.479 20 30 BEEDLO C=CC[N@@H+](C)CN1C[C@@H](C2CCCC2)CC1=O ZINC000842602396 588045368 /nfs/dbraw/zinc/04/53/68/588045368.db2.gz URKNPVSVCSCPCG-ZDUSSCGKSA-N 1 2 236.359 2.100 20 30 BEEDLO C=CC[N@H+](C)CN1C[C@@H](C2CCCC2)CC1=O ZINC000842602396 588045370 /nfs/dbraw/zinc/04/53/70/588045370.db2.gz URKNPVSVCSCPCG-ZDUSSCGKSA-N 1 2 236.359 2.100 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](CC)OC[C@@H]1C ZINC000844389494 588188717 /nfs/dbraw/zinc/18/87/17/588188717.db2.gz KKBQFLPXKFTJKJ-UWVGGRQHSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](CC)OC[C@@H]1C ZINC000844389494 588188720 /nfs/dbraw/zinc/18/87/20/588188720.db2.gz KKBQFLPXKFTJKJ-UWVGGRQHSA-N 1 2 203.713 2.238 20 30 BEEDLO CC(C)c1nc(C(=O)/C=C\c2cn(C)c[nH+]2)co1 ZINC000844553840 588202036 /nfs/dbraw/zinc/20/20/36/588202036.db2.gz YYAYTRGQOYTWLD-PLNGDYQASA-N 1 2 245.282 2.428 20 30 BEEDLO C=CCCCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845482124 588230316 /nfs/dbraw/zinc/23/03/16/588230316.db2.gz GEFLFEZQDGPJER-UHFFFAOYSA-N 1 2 248.326 2.271 20 30 BEEDLO C[C@@H](CC(=O)OCC#CC(C)(C)C)n1cc[nH+]c1 ZINC000845554538 588233273 /nfs/dbraw/zinc/23/32/73/588233273.db2.gz LZMRBFAFMBMXEC-LBPRGKRZSA-N 1 2 248.326 2.427 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC000847022866 588303146 /nfs/dbraw/zinc/30/31/46/588303146.db2.gz YRIQJIBDLHPUOY-GXSJLCMTSA-N 1 2 235.356 2.253 20 30 BEEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC000847022866 588303147 /nfs/dbraw/zinc/30/31/47/588303147.db2.gz YRIQJIBDLHPUOY-GXSJLCMTSA-N 1 2 235.356 2.253 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000847022442 588303256 /nfs/dbraw/zinc/30/32/56/588303256.db2.gz HSFJHYMXAJWDKS-GHMZBOCLSA-N 1 2 245.326 2.353 20 30 BEEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000847022442 588303257 /nfs/dbraw/zinc/30/32/57/588303257.db2.gz HSFJHYMXAJWDKS-GHMZBOCLSA-N 1 2 245.326 2.353 20 30 BEEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000847022443 588303316 /nfs/dbraw/zinc/30/33/16/588303316.db2.gz HSFJHYMXAJWDKS-MNOVXSKESA-N 1 2 245.326 2.353 20 30 BEEDLO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000847022443 588303317 /nfs/dbraw/zinc/30/33/17/588303317.db2.gz HSFJHYMXAJWDKS-MNOVXSKESA-N 1 2 245.326 2.353 20 30 BEEDLO CCC(CC)=NNCCCn1cc[nH+]c1 ZINC000848418806 588382061 /nfs/dbraw/zinc/38/20/61/588382061.db2.gz NRKLDJDLJPXZEJ-UHFFFAOYSA-N 1 2 208.309 2.039 20 30 BEEDLO Cc1ccc(C=NNCCCn2cc[nH+]c2)s1 ZINC000848419042 588382291 /nfs/dbraw/zinc/38/22/91/588382291.db2.gz PPZJJGGQULFMQR-UHFFFAOYSA-N 1 2 248.355 2.267 20 30 BEEDLO C[C@H]1CCCC1N=NCCCn1cc[nH+]c1 ZINC000848418346 588382536 /nfs/dbraw/zinc/38/25/36/588382536.db2.gz MFMCFCWMGUGGTA-NSHDSACASA-N 1 2 220.320 2.039 20 30 BEEDLO CC(=NNCCCn1cc[nH+]c1)c1cccs1 ZINC000848419687 588382938 /nfs/dbraw/zinc/38/29/38/588382938.db2.gz BORRZXFAQRSGMV-UHFFFAOYSA-N 1 2 248.355 2.349 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H]1CCCn2ccnc21 ZINC000848533679 588393723 /nfs/dbraw/zinc/39/37/23/588393723.db2.gz MQLFQPFKPPJLBL-SECBINFHSA-N 1 2 211.696 2.060 20 30 BEEDLO C#CC[C@@H]1CCCN(c2nc[nH+]c(C)c2OC)C1 ZINC000848733700 588409787 /nfs/dbraw/zinc/40/97/87/588409787.db2.gz XAWJYASLHXMRGL-GFCCVEGCSA-N 1 2 245.326 2.033 20 30 BEEDLO C#C[C@H]1CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000848748717 588410775 /nfs/dbraw/zinc/41/07/75/588410775.db2.gz ANDZHWOCJGFHLF-LBPRGKRZSA-N 1 2 229.327 2.450 20 30 BEEDLO CC[N@@H+](Cc1cccc(F)n1)C[C@@H](C)C#N ZINC000851742076 588621542 /nfs/dbraw/zinc/62/15/42/588621542.db2.gz KUXGHWURHHFUEB-JTQLQIEISA-N 1 2 221.279 2.202 20 30 BEEDLO CC[N@H+](Cc1cccc(F)n1)C[C@@H](C)C#N ZINC000851742076 588621543 /nfs/dbraw/zinc/62/15/43/588621543.db2.gz KUXGHWURHHFUEB-JTQLQIEISA-N 1 2 221.279 2.202 20 30 BEEDLO C#CC[N@H+](Cc1cc(C2CC2)no1)C1CC1 ZINC000851938802 588646308 /nfs/dbraw/zinc/64/63/08/588646308.db2.gz YXSBGQKUZCDGBL-UHFFFAOYSA-N 1 2 216.284 2.150 20 30 BEEDLO C#CC[N@@H+](Cc1cc(C2CC2)no1)C1CC1 ZINC000851938802 588646309 /nfs/dbraw/zinc/64/63/09/588646309.db2.gz YXSBGQKUZCDGBL-UHFFFAOYSA-N 1 2 216.284 2.150 20 30 BEEDLO C#C[C@](C)(CC)[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC000852102565 588663225 /nfs/dbraw/zinc/66/32/25/588663225.db2.gz ZFPDGWLJGXRTQS-GXTWGEPZSA-N 1 2 239.359 2.356 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](CC)CC(F)F ZINC000852163051 588668557 /nfs/dbraw/zinc/66/85/57/588668557.db2.gz WYLUTXZUMBCHKS-WDEREUQCSA-N 1 2 231.286 2.002 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](CC)CC(F)F ZINC000852163051 588668558 /nfs/dbraw/zinc/66/85/58/588668558.db2.gz WYLUTXZUMBCHKS-WDEREUQCSA-N 1 2 231.286 2.002 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000852324129 588678705 /nfs/dbraw/zinc/67/87/05/588678705.db2.gz PWBVNLPRMPOZAF-NSHDSACASA-N 1 2 215.724 2.240 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000852324129 588678706 /nfs/dbraw/zinc/67/87/06/588678706.db2.gz PWBVNLPRMPOZAF-NSHDSACASA-N 1 2 215.724 2.240 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnsn1 ZINC000852687753 588696460 /nfs/dbraw/zinc/69/64/60/588696460.db2.gz NOFWRYQPJQBSOB-PHIMTYICSA-N 1 2 221.329 2.221 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnsn1 ZINC000852687753 588696461 /nfs/dbraw/zinc/69/64/61/588696461.db2.gz NOFWRYQPJQBSOB-PHIMTYICSA-N 1 2 221.329 2.221 20 30 BEEDLO C#CCC[N@@H+](CCOC)C/C(Cl)=C/Cl ZINC000852751229 588700269 /nfs/dbraw/zinc/70/02/69/588700269.db2.gz UDQQUXWSOAVRPU-NTMALXAHSA-N 1 2 236.142 2.277 20 30 BEEDLO C#CCC[N@H+](CCOC)C/C(Cl)=C/Cl ZINC000852751229 588700270 /nfs/dbraw/zinc/70/02/70/588700270.db2.gz UDQQUXWSOAVRPU-NTMALXAHSA-N 1 2 236.142 2.277 20 30 BEEDLO C=CC[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000860900072 589128286 /nfs/dbraw/zinc/12/82/86/589128286.db2.gz XEHXLHOCDPFTOJ-MNOVXSKESA-N 1 2 222.288 2.342 20 30 BEEDLO Cc1[nH]c(CN(CCC#N)CC(C)C)[nH+]c1C ZINC000862212674 589194562 /nfs/dbraw/zinc/19/45/62/589194562.db2.gz KPBRTPLJUMXVBG-UHFFFAOYSA-N 1 2 234.347 2.398 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000862295412 589200885 /nfs/dbraw/zinc/20/08/85/589200885.db2.gz GPNXFARPLANIHI-UHFFFAOYSA-N 1 2 212.680 2.394 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000862392506 589207810 /nfs/dbraw/zinc/20/78/10/589207810.db2.gz KUMOKORROQBBEU-CQSZACIVSA-N 1 2 240.306 2.002 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000862392506 589207812 /nfs/dbraw/zinc/20/78/12/589207812.db2.gz KUMOKORROQBBEU-CQSZACIVSA-N 1 2 240.306 2.002 20 30 BEEDLO C#CCCCC(C)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000863104094 589256129 /nfs/dbraw/zinc/25/61/29/589256129.db2.gz SUBCTGNZXODSAX-STQMWFEESA-N 1 2 246.358 2.026 20 30 BEEDLO Cc1ncc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)o1 ZINC000864054207 589335628 /nfs/dbraw/zinc/33/56/28/589335628.db2.gz UINVZJPOHCFOGU-CMPLNLGQSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1ncc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)o1 ZINC000864054207 589335630 /nfs/dbraw/zinc/33/56/30/589335630.db2.gz UINVZJPOHCFOGU-CMPLNLGQSA-N 1 2 219.288 2.107 20 30 BEEDLO C[N@H+](Cc1ccc(F)cn1)[C@H]1CCC[C@@H]1C#N ZINC000864053258 589335972 /nfs/dbraw/zinc/33/59/72/589335972.db2.gz HQMHMBJMFOMBNQ-MFKMUULPSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1ccc(F)cn1)[C@H]1CCC[C@@H]1C#N ZINC000864053258 589335974 /nfs/dbraw/zinc/33/59/74/589335974.db2.gz HQMHMBJMFOMBNQ-MFKMUULPSA-N 1 2 233.290 2.345 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]\C[C@H]2C[C@@H](OC)C2)c1 ZINC000864345602 589353785 /nfs/dbraw/zinc/35/37/85/589353785.db2.gz ATLQIOZKKFYDCX-CBNWFPAGSA-N 1 2 249.310 2.245 20 30 BEEDLO Oc1ccc(/C=[NH+]\CC2CC=CC2)c(O)c1O ZINC000864345517 589354137 /nfs/dbraw/zinc/35/41/37/589354137.db2.gz YYGMISGCSWDPQT-ZSOIEALJSA-N 1 2 233.267 2.189 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]\C[C@H]1C[C@@H](OC)C1 ZINC000864346785 589354351 /nfs/dbraw/zinc/35/43/51/589354351.db2.gz DQVQMZCOCJUTPP-OWXDBGORSA-N 1 2 249.310 2.245 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]/C[C@H]1C[C@@H](OC)C1 ZINC000864346784 589354794 /nfs/dbraw/zinc/35/47/94/589354794.db2.gz DQVQMZCOCJUTPP-NVDORQAPSA-N 1 2 249.310 2.245 20 30 BEEDLO C[C@@H](CC#N)Nc1cc[nH+]cc1C(F)(F)F ZINC000865497900 589441749 /nfs/dbraw/zinc/44/17/49/589441749.db2.gz ULWPZIFFKFVTPT-ZETCQYMHSA-N 1 2 229.205 2.236 20 30 BEEDLO N#Cc1csc(C[NH2+][C@H]2CCCC[C@H]2F)n1 ZINC000865696631 589456770 /nfs/dbraw/zinc/45/67/70/589456770.db2.gz IIEYSLHILBFXEX-ZJUUUORDSA-N 1 2 239.319 2.385 20 30 BEEDLO Cc1cc(C#N)cc(N[C@H]2CCn3cc[nH+]c32)n1 ZINC000865840999 589464518 /nfs/dbraw/zinc/46/45/18/589464518.db2.gz PKJNCJCGXJULIW-NSHDSACASA-N 1 2 239.282 2.015 20 30 BEEDLO C#CC[C@H](COC)Nc1cc(CCCC)[nH+]cn1 ZINC000865977933 589471167 /nfs/dbraw/zinc/47/11/67/589471167.db2.gz WGSZGRGVMAPUKS-CYBMUJFWSA-N 1 2 247.342 2.269 20 30 BEEDLO CC[C@](C)(O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866262649 589483530 /nfs/dbraw/zinc/48/35/30/589483530.db2.gz DQAGIEGICLQMKL-YGRLFVJLSA-N 1 2 248.326 2.075 20 30 BEEDLO CC[C@H](CCO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866272078 589483924 /nfs/dbraw/zinc/48/39/24/589483924.db2.gz RZEUAJHASQSBIY-CMPLNLGQSA-N 1 2 248.326 2.075 20 30 BEEDLO CC[C@@H](COC)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866269758 589483943 /nfs/dbraw/zinc/48/39/43/589483943.db2.gz ZAQOHJBUFZQQHV-PWSUYJOCSA-N 1 2 248.326 2.339 20 30 BEEDLO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866283668 589484359 /nfs/dbraw/zinc/48/43/59/589484359.db2.gz ZDRDMZHYBMLJIQ-NXEZZACHSA-N 1 2 216.284 2.489 20 30 BEEDLO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866345609 589487267 /nfs/dbraw/zinc/48/72/67/589487267.db2.gz QXDJLDFVKIRRRI-AXFHLTTASA-N 1 2 248.326 2.338 20 30 BEEDLO C[C@@H](O)CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866349905 589487466 /nfs/dbraw/zinc/48/74/66/589487466.db2.gz QSBVZFZAKOMSEY-GHMZBOCLSA-N 1 2 248.326 2.075 20 30 BEEDLO C[C@H](O)CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866349907 589487489 /nfs/dbraw/zinc/48/74/89/589487489.db2.gz QSBVZFZAKOMSEY-QWRGUYRKSA-N 1 2 248.326 2.075 20 30 BEEDLO C/C=C/C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866397609 589490330 /nfs/dbraw/zinc/49/03/30/589490330.db2.gz IUASXNSZISOSTL-FSIBCCDJSA-N 1 2 216.284 2.491 20 30 BEEDLO C=CCCC(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000122838380 589636447 /nfs/dbraw/zinc/63/64/47/589636447.db2.gz MFQJHQORRIRPIJ-UHFFFAOYSA-N 1 2 235.283 2.408 20 30 BEEDLO CC[C@@H](C)CON=Cc1c[nH]c2nc[nH+]cc12 ZINC000872376555 589925608 /nfs/dbraw/zinc/92/56/08/589925608.db2.gz IKUVTFOCMQKNCD-SECBINFHSA-N 1 2 232.287 2.306 20 30 BEEDLO C(=[NH+]N1CCC1)c1ccc(N2CCCCC2)o1 ZINC000872396066 589933098 /nfs/dbraw/zinc/93/30/98/589933098.db2.gz PSZBAWVROQCEHH-UHFFFAOYSA-N 1 2 233.315 2.310 20 30 BEEDLO CC(=O)Oc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000124441189 590005608 /nfs/dbraw/zinc/00/56/08/590005608.db2.gz IWXMNLDDVIICBL-NSHDSACASA-N 1 2 246.310 2.346 20 30 BEEDLO CC(=O)Oc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000124441189 590005610 /nfs/dbraw/zinc/00/56/10/590005610.db2.gz IWXMNLDDVIICBL-NSHDSACASA-N 1 2 246.310 2.346 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc(Cl)cs1 ZINC000876639125 590225344 /nfs/dbraw/zinc/22/53/44/590225344.db2.gz NBEGKIUZZSUUHB-UHFFFAOYSA-N 1 2 214.721 2.252 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc(Cl)cs1 ZINC000876639125 590225345 /nfs/dbraw/zinc/22/53/45/590225345.db2.gz NBEGKIUZZSUUHB-UHFFFAOYSA-N 1 2 214.721 2.252 20 30 BEEDLO C=C1CC[NH+](Cc2cc(OC)cnc2F)CC1 ZINC000876694237 590231384 /nfs/dbraw/zinc/23/13/84/590231384.db2.gz GCSCPUHIPVGLGW-UHFFFAOYSA-N 1 2 236.290 2.381 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876691046 590231431 /nfs/dbraw/zinc/23/14/31/590231431.db2.gz YMBFELQRHSIVOH-MRVPVSSYSA-N 1 2 240.253 2.404 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876691046 590231433 /nfs/dbraw/zinc/23/14/33/590231433.db2.gz YMBFELQRHSIVOH-MRVPVSSYSA-N 1 2 240.253 2.404 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cc(F)ccc1N(C)C ZINC000877320957 590315006 /nfs/dbraw/zinc/31/50/06/590315006.db2.gz CHGHPHLTCFWTCF-JTQLQIEISA-N 1 2 235.306 2.141 20 30 BEEDLO C[C@@]1(F)CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000877557147 590357499 /nfs/dbraw/zinc/35/74/99/590357499.db2.gz HEHKBDZCHNBRAR-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@@]1(F)CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000877557147 590357501 /nfs/dbraw/zinc/35/75/01/590357501.db2.gz HEHKBDZCHNBRAR-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO COC(=O)CC[N@H+](CC#N)C[C@H](C)CC(C)C ZINC000877710715 590398455 /nfs/dbraw/zinc/39/84/55/590398455.db2.gz TUWVHULXMKXTNR-GFCCVEGCSA-N 1 2 240.347 2.057 20 30 BEEDLO COC(=O)CC[N@@H+](CC#N)C[C@H](C)CC(C)C ZINC000877710715 590398457 /nfs/dbraw/zinc/39/84/57/590398457.db2.gz TUWVHULXMKXTNR-GFCCVEGCSA-N 1 2 240.347 2.057 20 30 BEEDLO COC(=O)CC[N@H+](CC#N)C[C@@H](C)C(C)(C)C ZINC000877710796 590398545 /nfs/dbraw/zinc/39/85/45/590398545.db2.gz VFLQGCHMHVRYRT-LLVKDONJSA-N 1 2 240.347 2.057 20 30 BEEDLO COC(=O)CC[N@@H+](CC#N)C[C@@H](C)C(C)(C)C ZINC000877710796 590398548 /nfs/dbraw/zinc/39/85/48/590398548.db2.gz VFLQGCHMHVRYRT-LLVKDONJSA-N 1 2 240.347 2.057 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1cccs1 ZINC000877932684 590450904 /nfs/dbraw/zinc/45/09/04/590450904.db2.gz VYHMONDSKHKCNI-LLVKDONJSA-N 1 2 239.340 2.298 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1cccs1 ZINC000877932684 590450905 /nfs/dbraw/zinc/45/09/05/590450905.db2.gz VYHMONDSKHKCNI-LLVKDONJSA-N 1 2 239.340 2.298 20 30 BEEDLO C[N@@H+](CC#N)CC[C@@H]1CCCC1(F)F ZINC000878043096 590479215 /nfs/dbraw/zinc/47/92/15/590479215.db2.gz QHWBIUXWFFCRHG-VIFPVBQESA-N 1 2 202.248 2.267 20 30 BEEDLO C[N@H+](CC#N)CC[C@@H]1CCCC1(F)F ZINC000878043096 590479216 /nfs/dbraw/zinc/47/92/16/590479216.db2.gz QHWBIUXWFFCRHG-VIFPVBQESA-N 1 2 202.248 2.267 20 30 BEEDLO C#CC[N@H+](Cc1nc2c(o1)CCCC2)C1CC1 ZINC000878434668 590567512 /nfs/dbraw/zinc/56/75/12/590567512.db2.gz PIKMWLVBILCMGU-UHFFFAOYSA-N 1 2 230.311 2.151 20 30 BEEDLO C#CC[N@@H+](Cc1nc2c(o1)CCCC2)C1CC1 ZINC000878434668 590567513 /nfs/dbraw/zinc/56/75/13/590567513.db2.gz PIKMWLVBILCMGU-UHFFFAOYSA-N 1 2 230.311 2.151 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878462801 590571549 /nfs/dbraw/zinc/57/15/49/590571549.db2.gz YXSRXRSWIMWIPL-UHFFFAOYSA-N 1 2 206.289 2.171 20 30 BEEDLO C=CC[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878462801 590571552 /nfs/dbraw/zinc/57/15/52/590571552.db2.gz YXSRXRSWIMWIPL-UHFFFAOYSA-N 1 2 206.289 2.171 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878516914 590585220 /nfs/dbraw/zinc/58/52/20/590585220.db2.gz LQHFZJHXKLZOJX-SNVBAGLBSA-N 1 2 218.300 2.007 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878516914 590585221 /nfs/dbraw/zinc/58/52/21/590585221.db2.gz LQHFZJHXKLZOJX-SNVBAGLBSA-N 1 2 218.300 2.007 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1nc2c(o1)CCCC2 ZINC000878662101 590605603 /nfs/dbraw/zinc/60/56/03/590605603.db2.gz LXQVJEVPBAFYBD-CQSZACIVSA-N 1 2 232.327 2.445 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000878705532 590612583 /nfs/dbraw/zinc/61/25/83/590612583.db2.gz ZNFVIEADKMUZPK-NEPJUHHUSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000878705532 590612584 /nfs/dbraw/zinc/61/25/84/590612584.db2.gz ZNFVIEADKMUZPK-NEPJUHHUSA-N 1 2 243.297 2.146 20 30 BEEDLO CC(C)[C@@H](O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000878814005 590627052 /nfs/dbraw/zinc/62/70/52/590627052.db2.gz VHNJAVBZPRZYBJ-HNNXBMFYSA-N 1 2 244.338 2.281 20 30 BEEDLO CC(C)[C@@H](O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000878814005 590627053 /nfs/dbraw/zinc/62/70/53/590627053.db2.gz VHNJAVBZPRZYBJ-HNNXBMFYSA-N 1 2 244.338 2.281 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1scnc1Cl ZINC000878820883 590628031 /nfs/dbraw/zinc/62/80/31/590628031.db2.gz PSGYPMSFVVAHOE-LURJTMIESA-N 1 2 215.709 2.188 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000878904157 590643693 /nfs/dbraw/zinc/64/36/93/590643693.db2.gz ULFWCTPGIJCFDU-UHFFFAOYSA-N 1 2 237.734 2.262 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000878904157 590643695 /nfs/dbraw/zinc/64/36/95/590643695.db2.gz ULFWCTPGIJCFDU-UHFFFAOYSA-N 1 2 237.734 2.262 20 30 BEEDLO C#CC[N@H+](Cc1cc(C2CC2)no1)C1CSC1 ZINC000878909800 590646938 /nfs/dbraw/zinc/64/69/38/590646938.db2.gz CCHANGIABRGTLK-UHFFFAOYSA-N 1 2 248.351 2.103 20 30 BEEDLO C#CC[N@@H+](Cc1cc(C2CC2)no1)C1CSC1 ZINC000878909800 590646942 /nfs/dbraw/zinc/64/69/42/590646942.db2.gz CCHANGIABRGTLK-UHFFFAOYSA-N 1 2 248.351 2.103 20 30 BEEDLO Cc1ccccc1CC(N)=[NH+]OC(C)C ZINC000127464605 590676957 /nfs/dbraw/zinc/67/69/57/590676957.db2.gz JMDKLGDZGKPZIC-UHFFFAOYSA-N 1 2 206.289 2.235 20 30 BEEDLO C=CC(C)(C)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000879199244 590713269 /nfs/dbraw/zinc/71/32/69/590713269.db2.gz WIWBUBOPSZUASF-UHFFFAOYSA-N 1 2 249.358 2.334 20 30 BEEDLO Cc1nc(C)c(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)o1 ZINC000879311069 590734621 /nfs/dbraw/zinc/73/46/21/590734621.db2.gz NMRBZOHOADBNGH-NWDGAFQWSA-N 1 2 233.315 2.416 20 30 BEEDLO Cc1nc(C)c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)o1 ZINC000879311069 590734624 /nfs/dbraw/zinc/73/46/24/590734624.db2.gz NMRBZOHOADBNGH-NWDGAFQWSA-N 1 2 233.315 2.416 20 30 BEEDLO C[N@H+](Cc1cccc(F)n1)[C@H]1CCC[C@@H]1C#N ZINC000879308579 590735479 /nfs/dbraw/zinc/73/54/79/590735479.db2.gz CYUJDKJRDFSVOZ-PWSUYJOCSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1cccc(F)n1)[C@H]1CCC[C@@H]1C#N ZINC000879308579 590735480 /nfs/dbraw/zinc/73/54/80/590735480.db2.gz CYUJDKJRDFSVOZ-PWSUYJOCSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCC[C@@H]1C#N ZINC000879308552 590735516 /nfs/dbraw/zinc/73/55/16/590735516.db2.gz COCMFKPVFPAYNI-ZWNOBZJWSA-N 1 2 229.283 2.275 20 30 BEEDLO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCC[C@@H]1C#N ZINC000879308552 590735517 /nfs/dbraw/zinc/73/55/17/590735517.db2.gz COCMFKPVFPAYNI-ZWNOBZJWSA-N 1 2 229.283 2.275 20 30 BEEDLO CC(C)(O)[C@@H]1CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000880149121 590946348 /nfs/dbraw/zinc/94/63/48/590946348.db2.gz VOJCZEOOIOEGRK-KGLIPLIRSA-N 1 2 244.338 2.344 20 30 BEEDLO CC(C)(O)[C@@H]1CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000880149121 590946352 /nfs/dbraw/zinc/94/63/52/590946352.db2.gz VOJCZEOOIOEGRK-KGLIPLIRSA-N 1 2 244.338 2.344 20 30 BEEDLO C=C(Br)CNc1nc[nH+]c(C)c1C ZINC000881850864 591274225 /nfs/dbraw/zinc/27/42/25/591274225.db2.gz JAHMZRNTHZPTQV-UHFFFAOYSA-N 1 2 242.120 2.414 20 30 BEEDLO C#C[C@H](Nc1cc[nH+]c(CC)n1)C(C)C ZINC000884496474 591957026 /nfs/dbraw/zinc/95/70/26/591957026.db2.gz XRTIQYXFHMPIHM-JTQLQIEISA-N 1 2 203.289 2.109 20 30 BEEDLO Cc1nn(C)c(Cl)c1C[NH2+]CC(C)(C)C#N ZINC000134976120 591966900 /nfs/dbraw/zinc/96/69/00/591966900.db2.gz JYXBXCOSTHXCAH-UHFFFAOYSA-N 1 2 240.738 2.021 20 30 BEEDLO CCc1nc(N[C@@H]2CC[C@H](C#N)C2)cc[nH+]1 ZINC000884537396 591971555 /nfs/dbraw/zinc/97/15/55/591971555.db2.gz ZGYKTEJFOSNINZ-VHSXEESVSA-N 1 2 216.288 2.143 20 30 BEEDLO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ncco1 ZINC000886540888 592253472 /nfs/dbraw/zinc/25/34/72/592253472.db2.gz MKZLEAQPTJDJES-SECBINFHSA-N 1 2 205.261 2.019 20 30 BEEDLO CCCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000138983501 592330568 /nfs/dbraw/zinc/33/05/68/592330568.db2.gz XJZSEAQAQMTCKR-UHFFFAOYSA-N 1 2 237.347 2.429 20 30 BEEDLO CCCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000138983501 592330577 /nfs/dbraw/zinc/33/05/77/592330577.db2.gz XJZSEAQAQMTCKR-UHFFFAOYSA-N 1 2 237.347 2.429 20 30 BEEDLO Oc1ccc(/C=[NH+]\C[C@@H]2C=CCC2)c(O)c1O ZINC000887268329 592473547 /nfs/dbraw/zinc/47/35/47/592473547.db2.gz JADFVRIDGBVJAE-ZJTXEKFPSA-N 1 2 233.267 2.189 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/CC[C@H]2CCCO2)c1 ZINC000887272147 592474271 /nfs/dbraw/zinc/47/42/71/592474271.db2.gz HXILKDWERSEVTP-JXCQQFQQSA-N 1 2 249.310 2.389 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]/CC[C@H]1CCCO1 ZINC000887272286 592474436 /nfs/dbraw/zinc/47/44/36/592474436.db2.gz KXYIJDXTNDQHBZ-HGLKBHAMSA-N 1 2 249.310 2.389 20 30 BEEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000192230746 592708116 /nfs/dbraw/zinc/70/81/16/592708116.db2.gz ZMWXPLXUQCQWIJ-UHFFFAOYSA-N 1 2 244.338 2.314 20 30 BEEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000192230746 592708121 /nfs/dbraw/zinc/70/81/21/592708121.db2.gz ZMWXPLXUQCQWIJ-UHFFFAOYSA-N 1 2 244.338 2.314 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccccc1OCC=C ZINC000093461462 634545145 /nfs/dbraw/zinc/54/51/45/634545145.db2.gz BZXYVQTXANEHQF-UHFFFAOYSA-N 1 2 239.318 2.320 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](CCSc2ccncc2)C1 ZINC000932153267 635602043 /nfs/dbraw/zinc/60/20/43/635602043.db2.gz YGZWGYHOXKKKOV-LBPRGKRZSA-N 1 2 247.367 2.409 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](CCSc2ccncc2)C1 ZINC000932153267 635602046 /nfs/dbraw/zinc/60/20/46/635602046.db2.gz YGZWGYHOXKKKOV-LBPRGKRZSA-N 1 2 247.367 2.409 20 30 BEEDLO Cc1csc(CO[NH+]=C(N)c2ccccc2)n1 ZINC000176107571 631521899 /nfs/dbraw/zinc/52/18/99/631521899.db2.gz ZGVQCCGASFBYKZ-UHFFFAOYSA-N 1 2 247.323 2.289 20 30 BEEDLO C=C[C@H](CC)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000934426340 631835551 /nfs/dbraw/zinc/83/55/51/631835551.db2.gz TVFVZGXYAMQMAN-LLVKDONJSA-N 1 2 235.331 2.245 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(C2CCC2)no1 ZINC000934460538 631847654 /nfs/dbraw/zinc/84/76/54/631847654.db2.gz QDASPWVEZVFBHH-NSHDSACASA-N 1 2 233.315 2.488 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(C2CCC2)no1 ZINC000934460538 631847659 /nfs/dbraw/zinc/84/76/59/631847659.db2.gz QDASPWVEZVFBHH-NSHDSACASA-N 1 2 233.315 2.488 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1ncnn1CC(C)C ZINC000934458989 631848117 /nfs/dbraw/zinc/84/81/17/631848117.db2.gz AJJWSADCZRPKNZ-GFCCVEGCSA-N 1 2 234.347 2.085 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1ncnn1CC(C)C ZINC000934458989 631848123 /nfs/dbraw/zinc/84/81/23/631848123.db2.gz AJJWSADCZRPKNZ-GFCCVEGCSA-N 1 2 234.347 2.085 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc(CC)s1 ZINC000934460533 631849046 /nfs/dbraw/zinc/84/90/46/631849046.db2.gz QBHDKMKEANNGHW-SECBINFHSA-N 1 2 223.345 2.251 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(CC)s1 ZINC000934460533 631849050 /nfs/dbraw/zinc/84/90/50/631849050.db2.gz QBHDKMKEANNGHW-SECBINFHSA-N 1 2 223.345 2.251 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)c1csnn1 ZINC000934460316 631854254 /nfs/dbraw/zinc/85/42/54/631854254.db2.gz OZTHRHHQSATEOB-BDAKNGLRSA-N 1 2 209.318 2.250 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1csnn1 ZINC000934460316 631854258 /nfs/dbraw/zinc/85/42/58/631854258.db2.gz OZTHRHHQSATEOB-BDAKNGLRSA-N 1 2 209.318 2.250 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000934467643 631861758 /nfs/dbraw/zinc/86/17/58/631861758.db2.gz PJJGOSCDDYOQCN-CHWSQXEVSA-N 1 2 248.301 2.003 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000934467643 631861773 /nfs/dbraw/zinc/86/17/73/631861773.db2.gz PJJGOSCDDYOQCN-CHWSQXEVSA-N 1 2 248.301 2.003 20 30 BEEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cn1 ZINC000129228010 632424902 /nfs/dbraw/zinc/42/49/02/632424902.db2.gz UFIZRCIWTLQHCR-SECBINFHSA-N 1 2 221.279 2.421 20 30 BEEDLO C=CC(C)(C)CC(=O)OCc1c[nH+]cn1C ZINC000892777398 633225611 /nfs/dbraw/zinc/22/56/11/633225611.db2.gz JHPXCUQYUJIUJM-UHFFFAOYSA-N 1 2 222.288 2.066 20 30 BEEDLO CCOC(=O)CCC/[NH+]=C/c1ccccc1O ZINC000126764815 636025699 /nfs/dbraw/zinc/02/56/99/636025699.db2.gz WPADKZRSKDTFEM-GXDHUFHOSA-N 1 2 235.283 2.154 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](C)c1cc(C(=O)OC)co1 ZINC000309961265 634055030 /nfs/dbraw/zinc/05/50/30/634055030.db2.gz LHGBQMKXNXUMGV-MRVPVSSYSA-N 1 2 243.690 2.469 20 30 BEEDLO C=C[C@@H](CC)CC(=O)OCCn1cc[nH+]c1 ZINC000909524799 636166032 /nfs/dbraw/zinc/16/60/32/636166032.db2.gz JHGFCFDYGVNJSM-NSHDSACASA-N 1 2 222.288 2.029 20 30 BEEDLO NC(Cc1ccccc1)=[NH+]OCC[C@H]1CCCO1 ZINC000189247688 634173739 /nfs/dbraw/zinc/17/37/39/634173739.db2.gz VULLIXHAYQRWMU-CYBMUJFWSA-N 1 2 248.326 2.087 20 30 BEEDLO CC[C@H]([NH2+][C@@H]1CCOC1)c1cccc(C#N)c1O ZINC000925619006 634173969 /nfs/dbraw/zinc/17/39/69/634173969.db2.gz ZGIRMEQFQBSEOO-YPMHNXCESA-N 1 2 246.310 2.093 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1nccc2c1CCCC2 ZINC000893545347 635127803 /nfs/dbraw/zinc/12/78/03/635127803.db2.gz RTHMJTBRKRJWEC-NSHDSACASA-N 1 2 229.327 2.210 20 30 BEEDLO C=CC[N@@H+](Cc1ccnc(OC)c1F)C1CC1 ZINC000893559824 635160339 /nfs/dbraw/zinc/16/03/39/635160339.db2.gz QKXMNNPJOWJJPS-UHFFFAOYSA-N 1 2 236.290 2.380 20 30 BEEDLO C=CC[N@H+](Cc1ccnc(OC)c1F)C1CC1 ZINC000893559824 635160345 /nfs/dbraw/zinc/16/03/45/635160345.db2.gz QKXMNNPJOWJJPS-UHFFFAOYSA-N 1 2 236.290 2.380 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000893606529 635229450 /nfs/dbraw/zinc/22/94/50/635229450.db2.gz QLABXPSDOVKEBZ-AWEZNQCLSA-N 1 2 246.358 2.465 20 30 BEEDLO C=C(Br)C[NH2+][C@H](CC)CC#N ZINC000168268992 636339463 /nfs/dbraw/zinc/33/94/63/636339463.db2.gz SNXLCUYNIZMUBC-MRVPVSSYSA-N 1 2 217.110 2.177 20 30 BEEDLO Cc1[nH]c(/C=C2\C(=O)c3nccn3[C@H]2C)[nH+]c1C ZINC000901566529 637260826 /nfs/dbraw/zinc/26/08/26/637260826.db2.gz UVQRWTJBFKKHEY-LKJZUNMESA-N 1 2 242.282 2.064 20 30 BEEDLO COc1c(Cl)cccc1C[NH2+]CCC#N ZINC000905645315 637881798 /nfs/dbraw/zinc/88/17/98/637881798.db2.gz WLIXNYURSFQAOX-UHFFFAOYSA-N 1 2 224.691 2.352 20 30 BEEDLO C=CC[C@@H]([NH2+]CCSC(C)(C)C)C(=O)OC ZINC000905753597 637912465 /nfs/dbraw/zinc/91/24/65/637912465.db2.gz BHVBITGSIMMLBV-SNVBAGLBSA-N 1 2 245.388 2.225 20 30 BEEDLO C=CC[C@@H]([NH2+][C@H]1CC12CCCCC2)C(=O)OC ZINC000905762955 637918220 /nfs/dbraw/zinc/91/82/20/637918220.db2.gz PYVGIUXNQCKDKZ-NEPJUHHUSA-N 1 2 237.343 2.417 20 30 BEEDLO CC#CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907246277 638331494 /nfs/dbraw/zinc/33/14/94/638331494.db2.gz QMUZNZVHZWGXBM-UHFFFAOYSA-N 1 2 230.311 2.150 20 30 BEEDLO C#C[C@@H](CC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907719191 638457445 /nfs/dbraw/zinc/45/74/45/638457445.db2.gz XMQNGFBAISMMBQ-LBPRGKRZSA-N 1 2 230.311 2.148 20 30 BEEDLO Cc1cc(C)[nH+]c(CN2CC[C@](F)(C#N)C2)c1 ZINC000930252757 639663475 /nfs/dbraw/zinc/66/34/75/639663475.db2.gz DFKZHXBVQZYBBH-ZDUSSCGKSA-N 1 2 233.290 2.136 20 30 BEEDLO Cc1cc(C)[nH+]c(CN2CC(C)(C#N)C2)c1 ZINC000930299560 639689830 /nfs/dbraw/zinc/68/98/30/639689830.db2.gz GKRJPCWQDVPOKU-UHFFFAOYSA-N 1 2 215.300 2.044 20 30 BEEDLO C[C@]1(F)CCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000930595243 639815836 /nfs/dbraw/zinc/81/58/36/639815836.db2.gz PTJUNFBFVNFVDG-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@]1(F)CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000930595243 639815837 /nfs/dbraw/zinc/81/58/37/639815837.db2.gz PTJUNFBFVNFVDG-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO C=CC[C@H]1CCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC000930626646 639830569 /nfs/dbraw/zinc/83/05/69/639830569.db2.gz NTNWZLCQCWVZJR-LBPRGKRZSA-N 1 2 245.326 2.303 20 30 BEEDLO C#CC1CC[NH+](Cc2c(F)cncc2F)CC1 ZINC000930820570 639920698 /nfs/dbraw/zinc/92/06/98/639920698.db2.gz DEDROGJBNAFRLA-UHFFFAOYSA-N 1 2 236.265 2.205 20 30 BEEDLO Cc1cc(C)nc(C[NH2+][C@@H](C)CC#N)c1 ZINC000930866076 639959824 /nfs/dbraw/zinc/95/98/24/639959824.db2.gz AVTZOIYBHPYEPC-JTQLQIEISA-N 1 2 203.289 2.090 20 30 BEEDLO C[C@H](c1ncccn1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000930922917 639990572 /nfs/dbraw/zinc/99/05/72/639990572.db2.gz LTOZAUNXVVJNSO-NEPJUHHUSA-N 1 2 230.315 2.163 20 30 BEEDLO C[C@H](c1ncccn1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000930922917 639990582 /nfs/dbraw/zinc/99/05/82/639990582.db2.gz LTOZAUNXVVJNSO-NEPJUHHUSA-N 1 2 230.315 2.163 20 30 BEEDLO CCN(Cc1cc(C)cc(C)[nH+]1)[C@H](C)C#N ZINC000931056086 640042825 /nfs/dbraw/zinc/04/28/25/640042825.db2.gz IZOWUWZZXVKRPF-GFCCVEGCSA-N 1 2 217.316 2.432 20 30 BEEDLO CC[N@H+](C[C@H]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)C#N ZINC000931055544 640044337 /nfs/dbraw/zinc/04/43/37/640044337.db2.gz CJEQADQLUWFCQB-NDBYEHHHSA-N 1 2 224.348 2.424 20 30 BEEDLO CC[N@@H+](C[C@H]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)C#N ZINC000931055544 640044350 /nfs/dbraw/zinc/04/43/50/640044350.db2.gz CJEQADQLUWFCQB-NDBYEHHHSA-N 1 2 224.348 2.424 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](CCSc2ccncc2)C1 ZINC000931063368 640051139 /nfs/dbraw/zinc/05/11/39/640051139.db2.gz QGGLHKTVGFJQRD-ZDUSSCGKSA-N 1 2 247.367 2.409 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](CCSc2ccncc2)C1 ZINC000931063368 640051141 /nfs/dbraw/zinc/05/11/41/640051141.db2.gz QGGLHKTVGFJQRD-ZDUSSCGKSA-N 1 2 247.367 2.409 20 30 BEEDLO C=CC(C)(C)CCNC(=O)CNc1cccc[nH+]1 ZINC000912974660 640260043 /nfs/dbraw/zinc/26/00/43/640260043.db2.gz UZBUADKZNQJXLW-UHFFFAOYSA-N 1 2 247.342 2.212 20 30 BEEDLO N#CCC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931920842 640388961 /nfs/dbraw/zinc/38/89/61/640388961.db2.gz TXOXQIOJDBNWJZ-MRVPVSSYSA-N 1 2 236.212 2.266 20 30 BEEDLO N#CCC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931920842 640388966 /nfs/dbraw/zinc/38/89/66/640388966.db2.gz TXOXQIOJDBNWJZ-MRVPVSSYSA-N 1 2 236.212 2.266 20 30 BEEDLO CC(C)(C)C(=O)CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932148449 640440751 /nfs/dbraw/zinc/44/07/51/640440751.db2.gz ODKMVCVIFXPPFG-NSHDSACASA-N 1 2 222.332 2.227 20 30 BEEDLO CC(C)(C)C(=O)CC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932148449 640440757 /nfs/dbraw/zinc/44/07/57/640440757.db2.gz ODKMVCVIFXPPFG-NSHDSACASA-N 1 2 222.332 2.227 20 30 BEEDLO C[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)CCO1 ZINC000932342961 640485442 /nfs/dbraw/zinc/48/54/42/640485442.db2.gz CARORZDLGXJVDF-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)CCO1 ZINC000932342961 640485458 /nfs/dbraw/zinc/48/54/58/640485458.db2.gz CARORZDLGXJVDF-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO CCC#C[C@@H](C)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932358315 640498314 /nfs/dbraw/zinc/49/83/14/640498314.db2.gz WOLQBPFFTQGAKY-DGCLKSJQSA-N 1 2 229.327 2.319 20 30 BEEDLO C#CC[N@H+](CC(=O)OCc1ccccc1)C(C)C ZINC000932390416 640517334 /nfs/dbraw/zinc/51/73/34/640517334.db2.gz MBAGPBOQFYCEIH-UHFFFAOYSA-N 1 2 245.322 2.073 20 30 BEEDLO C#CC[N@@H+](CC(=O)OCc1ccccc1)C(C)C ZINC000932390416 640517336 /nfs/dbraw/zinc/51/73/36/640517336.db2.gz MBAGPBOQFYCEIH-UHFFFAOYSA-N 1 2 245.322 2.073 20 30 BEEDLO C#CC[N@@H+](Cc1nc(CCC)no1)C(C)(C)C ZINC000932465825 640538354 /nfs/dbraw/zinc/53/83/54/640538354.db2.gz NECTVHDIVJGFAJ-UHFFFAOYSA-N 1 2 235.331 2.256 20 30 BEEDLO C#CC[N@H+](Cc1nc(CCC)no1)C(C)(C)C ZINC000932465825 640538357 /nfs/dbraw/zinc/53/83/57/640538357.db2.gz NECTVHDIVJGFAJ-UHFFFAOYSA-N 1 2 235.331 2.256 20 30 BEEDLO CC(C)(C#N)C[NH2+][C@@H]1CCc2cccnc21 ZINC000226830533 640800736 /nfs/dbraw/zinc/80/07/36/640800736.db2.gz MNFQELMYVIQGQI-LLVKDONJSA-N 1 2 215.300 2.208 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000934469925 641162996 /nfs/dbraw/zinc/16/29/96/641162996.db2.gz KBZILHORHSVFEG-JTQLQIEISA-N 1 2 219.288 2.097 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000934469925 641163001 /nfs/dbraw/zinc/16/30/01/641163001.db2.gz KBZILHORHSVFEG-JTQLQIEISA-N 1 2 219.288 2.097 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934570324 641201843 /nfs/dbraw/zinc/20/18/43/641201843.db2.gz DNAVQQYBLRUMGI-HONMWMINSA-N 1 2 248.301 2.024 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934570324 641201850 /nfs/dbraw/zinc/20/18/50/641201850.db2.gz DNAVQQYBLRUMGI-HONMWMINSA-N 1 2 248.301 2.024 20 30 BEEDLO C=CCCC[N@@H+](CC)Cc1nnc(OC)s1 ZINC000934648387 641235549 /nfs/dbraw/zinc/23/55/49/641235549.db2.gz ZDTSJEVVUFXVLY-UHFFFAOYSA-N 1 2 241.360 2.335 20 30 BEEDLO C=CCCC[N@H+](CC)Cc1nnc(OC)s1 ZINC000934648387 641235557 /nfs/dbraw/zinc/23/55/57/641235557.db2.gz ZDTSJEVVUFXVLY-UHFFFAOYSA-N 1 2 241.360 2.335 20 30 BEEDLO CC(C)CNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917029194 641992068 /nfs/dbraw/zinc/99/20/68/641992068.db2.gz VDJOICSDLJMCJO-UHFFFAOYSA-N 1 2 242.326 2.452 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000306274175 642321718 /nfs/dbraw/zinc/32/17/18/642321718.db2.gz ARBHVBPHVKSZBD-ZJUUUORDSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000306274175 642321731 /nfs/dbraw/zinc/32/17/31/642321731.db2.gz ARBHVBPHVKSZBD-ZJUUUORDSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000306274173 642324455 /nfs/dbraw/zinc/32/44/55/642324455.db2.gz ARBHVBPHVKSZBD-UWVGGRQHSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000306274173 642324457 /nfs/dbraw/zinc/32/44/57/642324457.db2.gz ARBHVBPHVKSZBD-UWVGGRQHSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Br)C[N@@H+](C)C1(COC)CC1 ZINC000307972019 642358939 /nfs/dbraw/zinc/35/89/39/642358939.db2.gz HTCOIKPPKQATNG-UHFFFAOYSA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@H+](C)C1(COC)CC1 ZINC000307972019 642358947 /nfs/dbraw/zinc/35/89/47/642358947.db2.gz HTCOIKPPKQATNG-UHFFFAOYSA-N 1 2 234.137 2.006 20 30 BEEDLO C#CCC1([NH2+][C@@H](CC(C)C)C(=O)OC)CCC1 ZINC000933296158 642502796 /nfs/dbraw/zinc/50/27/96/642502796.db2.gz DOTLWPWDLFXDCV-LBPRGKRZSA-N 1 2 237.343 2.110 20 30 BEEDLO Cc1cnc(CO[NH+]=C(N)c2ccccc2)s1 ZINC000179884292 642752146 /nfs/dbraw/zinc/75/21/46/642752146.db2.gz IUOHOVCCFIOBFN-UHFFFAOYSA-N 1 2 247.323 2.289 20 30 BEEDLO C=C(C)C[N@H+](C)Cn1cccnc1=S ZINC000182618042 643043672 /nfs/dbraw/zinc/04/36/72/643043672.db2.gz LTIJYJFEXBUBEN-UHFFFAOYSA-N 1 2 209.318 2.078 20 30 BEEDLO C=C(C)C[N@@H+](C)Cn1cccnc1=S ZINC000182618042 643043690 /nfs/dbraw/zinc/04/36/90/643043690.db2.gz LTIJYJFEXBUBEN-UHFFFAOYSA-N 1 2 209.318 2.078 20 30 BEEDLO C#C[C@H](C)[NH2+]Cc1ncc(Br)s1 ZINC000307125067 643411224 /nfs/dbraw/zinc/41/12/24/643411224.db2.gz ZKVJUHYGESXEJJ-LURJTMIESA-N 1 2 245.145 2.017 20 30 BEEDLO C=CC(C)(C)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922932393 644191310 /nfs/dbraw/zinc/19/13/10/644191310.db2.gz DPAAAVBJVAZUOD-UHFFFAOYSA-N 1 2 234.299 2.309 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000775177607 644701537 /nfs/dbraw/zinc/70/15/37/644701537.db2.gz BLLIWYMJIBIFRJ-SNVBAGLBSA-N 1 2 234.368 2.475 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000775177607 644701542 /nfs/dbraw/zinc/70/15/42/644701542.db2.gz BLLIWYMJIBIFRJ-SNVBAGLBSA-N 1 2 234.368 2.475 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793240287 644801854 /nfs/dbraw/zinc/80/18/54/644801854.db2.gz YSYCKQXRTSAYSQ-LLVKDONJSA-N 1 2 236.315 2.108 20 30 BEEDLO C#Cc1ccc(C[NH2+]Cc2cc(C)on2)cc1 ZINC000809609727 644893629 /nfs/dbraw/zinc/89/36/29/644893629.db2.gz NNSSRCBVWXUCQS-UHFFFAOYSA-N 1 2 226.279 2.254 20 30 BEEDLO C[C@@H]([NH2+]CCC#N)c1cc2cnccc2o1 ZINC000825721299 645064011 /nfs/dbraw/zinc/06/40/11/645064011.db2.gz PHMNXEKEXQEMDX-SECBINFHSA-N 1 2 215.256 2.392 20 30 BEEDLO COc1ccnc([C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000926626514 645319943 /nfs/dbraw/zinc/31/99/43/645319943.db2.gz IUUPSVSQDUDSPR-NSHDSACASA-N 1 2 245.326 2.435 20 30 BEEDLO COc1ccnc([C@@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000926874807 645468532 /nfs/dbraw/zinc/46/85/32/645468532.db2.gz UKLPLJFNUYRKDR-SNVBAGLBSA-N 1 2 233.315 2.291 20 30 BEEDLO C=CCC1(C(=O)NCc2ccc(N)[nH+]c2)CCC1 ZINC000927776952 645655447 /nfs/dbraw/zinc/65/54/47/645655447.db2.gz HHCNCCQCGCRTKY-UHFFFAOYSA-N 1 2 245.326 2.026 20 30 BEEDLO C=C(C)CCc1noc([C@@H](C)[NH+](C)C)n1 ZINC000924067285 645974802 /nfs/dbraw/zinc/97/48/02/645974802.db2.gz QADQNWAXYIWDOT-SECBINFHSA-N 1 2 209.293 2.201 20 30 BEEDLO Cc1nnsc1[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000929417277 646111856 /nfs/dbraw/zinc/11/18/56/646111856.db2.gz ZBYUDKZRYMEKJY-VIFPVBQESA-N 1 2 236.344 2.143 20 30 BEEDLO Cc1[nH]ncc1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000925461041 646288124 /nfs/dbraw/zinc/28/81/24/646288124.db2.gz OKBBJXCOJJTUMH-SECBINFHSA-N 1 2 220.320 2.136 20 30 BEEDLO Cc1cc(C[N@H+](CCC#N)CC2CC2)c(C)nn1 ZINC000929775831 646303381 /nfs/dbraw/zinc/30/33/81/646303381.db2.gz VGWAMFFOPOLVCV-UHFFFAOYSA-N 1 2 244.342 2.219 20 30 BEEDLO Cc1cc(C[N@@H+](CCC#N)CC2CC2)c(C)nn1 ZINC000929775831 646303382 /nfs/dbraw/zinc/30/33/82/646303382.db2.gz VGWAMFFOPOLVCV-UHFFFAOYSA-N 1 2 244.342 2.219 20 30 BEEDLO C[N@@H+](CCC#N)CCSc1ccncc1 ZINC000929810056 646330643 /nfs/dbraw/zinc/33/06/43/646330643.db2.gz WLXMRKXJEWDEJQ-UHFFFAOYSA-N 1 2 221.329 2.019 20 30 BEEDLO C[N@H+](CCC#N)CCSc1ccncc1 ZINC000929810056 646330644 /nfs/dbraw/zinc/33/06/44/646330644.db2.gz WLXMRKXJEWDEJQ-UHFFFAOYSA-N 1 2 221.329 2.019 20 30 BEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000724142363 711564623 /nfs/dbraw/zinc/56/46/23/711564623.db2.gz TWJPWFPOWVBVJR-BDAKNGLRSA-N 1 2 234.137 2.004 20 30 BEEDLO C=C(Br)C[N@H+](C)[C@@H]1CC[C@@H]1OC ZINC000724142363 711564625 /nfs/dbraw/zinc/56/46/25/711564625.db2.gz TWJPWFPOWVBVJR-BDAKNGLRSA-N 1 2 234.137 2.004 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](CCOCC2CCC2)C1 ZINC000708572796 712213386 /nfs/dbraw/zinc/21/33/86/712213386.db2.gz ZXNZLWUPBUBCBR-ZDUSSCGKSA-N 1 2 222.332 2.039 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](CCOCC2CCC2)C1 ZINC000708572796 712213387 /nfs/dbraw/zinc/21/33/87/712213387.db2.gz ZXNZLWUPBUBCBR-ZDUSSCGKSA-N 1 2 222.332 2.039 20 30 BEEDLO Cc1nc(C[NH2+]CC(C)(C)C#N)sc1C ZINC000719532469 712809309 /nfs/dbraw/zinc/80/93/09/712809309.db2.gz CSPZWHKDDBMGFM-UHFFFAOYSA-N 1 2 223.345 2.399 20 30 BEEDLO N#CC1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000381537089 710652361 /nfs/dbraw/zinc/65/23/61/710652361.db2.gz GBAUDJMFJZIVEZ-UHFFFAOYSA-N 1 2 236.702 2.439 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H]2C=CCC2)C1 ZINC001042458418 710784014 /nfs/dbraw/zinc/78/40/14/710784014.db2.gz NOCOHWACFUMZMD-CYBMUJFWSA-N 1 2 248.370 2.061 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1conc1CC ZINC000382182680 710806340 /nfs/dbraw/zinc/80/63/40/710806340.db2.gz ZVECJKHZWTTZKQ-UHFFFAOYSA-N 1 2 200.669 2.079 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@]2(C)C=CCC2)C1 ZINC001043549548 710809781 /nfs/dbraw/zinc/80/97/81/710809781.db2.gz AOWNPEUJRQZFBP-HNNXBMFYSA-N 1 2 248.370 2.061 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC)CC[C@@H]1C ZINC001071278746 711183264 /nfs/dbraw/zinc/18/32/64/711183264.db2.gz IPNJQGBVRZGONC-QWRGUYRKSA-N 1 2 244.766 2.118 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC)CC[C@@H]1C ZINC001071278746 711183266 /nfs/dbraw/zinc/18/32/66/711183266.db2.gz IPNJQGBVRZGONC-QWRGUYRKSA-N 1 2 244.766 2.118 20 30 BEEDLO Cc1cccc(CC[N@@H+]2CCC[C@@H](C#N)C2)n1 ZINC000399724617 711433789 /nfs/dbraw/zinc/43/37/89/711433789.db2.gz NNKAGAZQGYWKOO-ZDUSSCGKSA-N 1 2 229.327 2.168 20 30 BEEDLO Cc1cccc(CC[N@H+]2CCC[C@@H](C#N)C2)n1 ZINC000399724617 711433792 /nfs/dbraw/zinc/43/37/92/711433792.db2.gz NNKAGAZQGYWKOO-ZDUSSCGKSA-N 1 2 229.327 2.168 20 30 BEEDLO C=C(Br)C[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000724142365 711564772 /nfs/dbraw/zinc/56/47/72/711564772.db2.gz TWJPWFPOWVBVJR-IUCAKERBSA-N 1 2 234.137 2.004 20 30 BEEDLO C=C(Br)C[N@H+](C)[C@H]1CC[C@@H]1OC ZINC000724142365 711564773 /nfs/dbraw/zinc/56/47/73/711564773.db2.gz TWJPWFPOWVBVJR-IUCAKERBSA-N 1 2 234.137 2.004 20 30 BEEDLO CC[C@H]([NH2+]CC(C)(C)O)c1cccc(C#N)c1O ZINC000925024271 711768842 /nfs/dbraw/zinc/76/88/42/711768842.db2.gz RXKCAFRMHKEBDN-LBPRGKRZSA-N 1 2 248.326 2.075 20 30 BEEDLO C=C1CC(C)(c2noc([C@H](C)[NH+](C)C)n2)C1 ZINC000896914838 711783966 /nfs/dbraw/zinc/78/39/66/711783966.db2.gz AKKOVALFSCVEEH-VIFPVBQESA-N 1 2 221.304 2.300 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001030798733 711843245 /nfs/dbraw/zinc/84/32/45/711843245.db2.gz WBNYUDUPBWFKRK-CYBMUJFWSA-N 1 2 248.370 2.109 20 30 BEEDLO C#C[C@H](CC)[NH2+]Cc1ccc(F)c(F)c1O ZINC000703271468 712069375 /nfs/dbraw/zinc/06/93/75/712069375.db2.gz AQUGBTBVAVHJEV-SECBINFHSA-N 1 2 225.238 2.172 20 30 BEEDLO C#C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)C(C)C ZINC000703329455 712070875 /nfs/dbraw/zinc/07/08/75/712070875.db2.gz PKOXZNZYUQXQCW-NSHDSACASA-N 1 2 239.265 2.418 20 30 BEEDLO CCCCCCCNc1nc(C)[nH+]c(N)n1 ZINC000703708781 712083878 /nfs/dbraw/zinc/08/38/78/712083878.db2.gz OLHUGWYKGDCVKB-UHFFFAOYSA-N 1 2 223.324 2.145 20 30 BEEDLO C[C@@H](CC(=O)OC1(CC#N)CCC1)n1cc[nH+]c1 ZINC000845555777 712607013 /nfs/dbraw/zinc/60/70/13/712607013.db2.gz LAKKYILZPCFVGK-NSHDSACASA-N 1 2 247.298 2.214 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000848923658 712610196 /nfs/dbraw/zinc/61/01/96/712610196.db2.gz HXURPJROFOFPDT-NSHDSACASA-N 1 2 230.311 2.397 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000848923658 712610197 /nfs/dbraw/zinc/61/01/97/712610197.db2.gz HXURPJROFOFPDT-NSHDSACASA-N 1 2 230.311 2.397 20 30 BEEDLO C[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)CCO1 ZINC000720496723 712847397 /nfs/dbraw/zinc/84/73/97/712847397.db2.gz QVGLKPRTPRDLQT-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)CCO1 ZINC000720496723 712847398 /nfs/dbraw/zinc/84/73/98/712847398.db2.gz QVGLKPRTPRDLQT-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H]([NH2+]CCC(C)(C)C#N)c1csnn1 ZINC000398351108 958226022 /nfs/dbraw/zinc/22/60/22/958226022.db2.gz XMSGJDJVQZJTRV-QMMMGPOBSA-N 1 2 224.333 2.129 20 30 BEEDLO C=C(C)C(=O)OCCNc1ccc(CC)c[nH+]1 ZINC001168072369 963603627 /nfs/dbraw/zinc/60/36/27/963603627.db2.gz ZLDVHVZJDGBGST-UHFFFAOYSA-N 1 2 234.299 2.175 20 30 BEEDLO C=C[C@](C)(O)CNc1c(C)cc[nH+]c1CC ZINC001252546895 968783427 /nfs/dbraw/zinc/78/34/27/968783427.db2.gz CRXKUJDBXFOMIE-ZDUSSCGKSA-N 1 2 220.316 2.301 20 30 BEEDLO C=CCCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209157370 969359706 /nfs/dbraw/zinc/35/97/06/969359706.db2.gz ABJLHGUIHOUIQH-LLVKDONJSA-N 1 2 223.341 2.227 20 30 BEEDLO C=CCCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001209157370 969359718 /nfs/dbraw/zinc/35/97/18/969359718.db2.gz ABJLHGUIHOUIQH-LLVKDONJSA-N 1 2 223.341 2.227 20 30 BEEDLO C=CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209164512 969364867 /nfs/dbraw/zinc/36/48/67/969364867.db2.gz CTUNRDUWAPCHJU-UHFFFAOYSA-N 1 2 240.347 2.463 20 30 BEEDLO C=CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209164512 969364878 /nfs/dbraw/zinc/36/48/78/969364878.db2.gz CTUNRDUWAPCHJU-UHFFFAOYSA-N 1 2 240.347 2.463 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1ccc(C)[nH]1 ZINC001209572117 969553205 /nfs/dbraw/zinc/55/32/05/969553205.db2.gz CFJAIZIHGGTSMM-UHFFFAOYSA-N 1 2 205.305 2.449 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1ccc(C)[nH]1 ZINC001209572117 969553211 /nfs/dbraw/zinc/55/32/11/969553211.db2.gz CFJAIZIHGGTSMM-UHFFFAOYSA-N 1 2 205.305 2.449 20 30 BEEDLO CCC(CC)([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)OC ZINC001254655306 969765290 /nfs/dbraw/zinc/76/52/90/969765290.db2.gz ZZCPMIADJSFPRN-MNOVXSKESA-N 1 2 238.331 2.000 20 30 BEEDLO CC[C@@H]1C[C@@H]([NH2+][C@@](C)(C#N)C(C)C)CCO1 ZINC001170168597 970541646 /nfs/dbraw/zinc/54/16/46/970541646.db2.gz JHKCQIXWDICKGK-XQQFMLRXSA-N 1 2 224.348 2.472 20 30 BEEDLO C#Cc1cc(Nc2ccc3c(c2)NCC3)cc[nH+]1 ZINC001213146170 1166927774 /nfs/dbraw/zinc/92/77/74/1166927774.db2.gz NRFITFMYPAIVCJ-UHFFFAOYSA-N 1 2 235.290 2.196 20 30 BEEDLO C=CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000308508471 1167185004 /nfs/dbraw/zinc/18/50/04/1167185004.db2.gz HLNZKIOUYMQHLE-UHFFFAOYSA-N 1 2 215.655 2.460 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1scnc1C1CC1 ZINC000308917392 1167218772 /nfs/dbraw/zinc/21/87/72/1167218772.db2.gz BLDIWMHVWAUGJC-QMMMGPOBSA-N 1 2 221.329 2.412 20 30 BEEDLO Nc1ccc(C=[NH+]NCC(F)F)c(Cl)c1 ZINC000309019012 1167238992 /nfs/dbraw/zinc/23/89/92/1167238992.db2.gz VWMZEEDPONTZSG-UHFFFAOYSA-N 1 2 233.649 2.111 20 30 BEEDLO Nc1ccc(C=[NH+]NCC(F)F)cc1Cl ZINC000309008640 1167236869 /nfs/dbraw/zinc/23/68/69/1167236869.db2.gz QWYNNSGXKWWQNW-UHFFFAOYSA-N 1 2 233.649 2.111 20 30 BEEDLO C=C(C)C[NH2+]C1(C(=O)OCC)CCCC1 ZINC000309027744 1167241901 /nfs/dbraw/zinc/24/19/01/1167241901.db2.gz BUYAAVRQRUNGTF-UHFFFAOYSA-N 1 2 211.305 2.028 20 30 BEEDLO COc1cc[nH+]cc1C1=CC(=O)C[C@H](C)C1 ZINC000309413901 1167300394 /nfs/dbraw/zinc/30/03/94/1167300394.db2.gz GPTIGARRGIUDQV-SECBINFHSA-N 1 2 217.268 2.473 20 30 BEEDLO COc1ccc(OC)c(C[NH+]2CC(CC#N)C2)c1 ZINC000597194804 1167664242 /nfs/dbraw/zinc/66/42/42/1167664242.db2.gz YLSNHOQJIQAYOT-UHFFFAOYSA-N 1 2 246.310 2.049 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccccc1NC ZINC001232671273 978226306 /nfs/dbraw/zinc/22/63/06/978226306.db2.gz JISKRBQKFUHIQO-UHFFFAOYSA-N 1 2 217.316 2.464 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccccc1NC ZINC001232671273 978226318 /nfs/dbraw/zinc/22/63/18/978226318.db2.gz JISKRBQKFUHIQO-UHFFFAOYSA-N 1 2 217.316 2.464 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cc(C#N)ccc1O ZINC001232680100 978248086 /nfs/dbraw/zinc/24/80/86/978248086.db2.gz YAEKBGIWIKKQMK-UHFFFAOYSA-N 1 2 228.295 2.438 20 30 BEEDLO C#CC[N@H+](Cc1nc(C2CC2)no1)C(C)(C)C ZINC001342014008 979623341 /nfs/dbraw/zinc/62/33/41/979623341.db2.gz JPBWLFCWSULUGG-UHFFFAOYSA-N 1 2 233.315 2.181 20 30 BEEDLO C#CC[N@@H+](Cc1nc(C2CC2)no1)C(C)(C)C ZINC001342014008 979623349 /nfs/dbraw/zinc/62/33/49/979623349.db2.gz JPBWLFCWSULUGG-UHFFFAOYSA-N 1 2 233.315 2.181 20 30 BEEDLO C=C(C)CCC(=O)OCCCc1[nH+]ccn1C ZINC001344784032 980466115 /nfs/dbraw/zinc/46/61/15/980466115.db2.gz AFRAIHSYVLSYMR-UHFFFAOYSA-N 1 2 236.315 2.252 20 30 BEEDLO C=CC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001136802376 1168631977 /nfs/dbraw/zinc/63/19/77/1168631977.db2.gz UBDSSAQAVYUHLU-SECBINFHSA-N 1 2 229.283 2.257 20 30 BEEDLO C=CCCCC(=O)Nc1c(C)c[nH+]cc1C ZINC001355034981 983398071 /nfs/dbraw/zinc/39/80/71/983398071.db2.gz IUGIEHMDDNMTSJ-UHFFFAOYSA-N 1 2 218.300 2.415 20 30 BEEDLO N#CCC1C[NH+](Cc2ccc3nsnc3c2)C1 ZINC001139208282 1169364941 /nfs/dbraw/zinc/36/49/41/1169364941.db2.gz RHXSIOGPPFWUNH-UHFFFAOYSA-N 1 2 244.323 2.037 20 30 BEEDLO CCCC1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001246596955 973016053 /nfs/dbraw/zinc/01/60/53/973016053.db2.gz ZWJJUTUUQDAIQR-RUXDESIVSA-N 1 2 235.375 2.143 20 30 BEEDLO C#Cc1cc(Nc2cncc(F)c2C)cc[nH+]1 ZINC001216189837 970972963 /nfs/dbraw/zinc/97/29/63/970972963.db2.gz AUGPFHZNAJLTBS-UHFFFAOYSA-N 1 2 227.242 2.071 20 30 BEEDLO CC[C@](C)(C#N)[NH2+]C1CCC(C#N)CC1 ZINC001256957709 971030686 /nfs/dbraw/zinc/03/06/86/971030686.db2.gz BBCYPJRWPUYLPR-HTAVTVPLSA-N 1 2 205.305 2.351 20 30 BEEDLO CC[C@@](C)(C#N)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257081494 971079857 /nfs/dbraw/zinc/07/98/57/971079857.db2.gz PQNPTDNLYHYGLY-USZNOCQGSA-N 1 2 210.321 2.224 20 30 BEEDLO CC[C@](C)(C#N)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257081495 971077559 /nfs/dbraw/zinc/07/75/59/971077559.db2.gz PQNPTDNLYHYGLY-WRWGMCAJSA-N 1 2 210.321 2.224 20 30 BEEDLO C=C[C@H]1C[C@]1([NH2+]C(CC)CC)C(=O)OCC ZINC001257290903 971174697 /nfs/dbraw/zinc/17/46/97/971174697.db2.gz MWQBHNKSFQZDIT-GXFFZTMASA-N 1 2 225.332 2.272 20 30 BEEDLO N#Cc1ccc(Nc2ccc(N)[nH+]c2)cc1F ZINC000307923816 971180399 /nfs/dbraw/zinc/18/03/99/971180399.db2.gz LACLIDVCQHOWNO-UHFFFAOYSA-N 1 2 228.230 2.418 20 30 BEEDLO C#C[C@](C)(CC)Nc1cc(COC)cc[nH+]1 ZINC001158738874 971422399 /nfs/dbraw/zinc/42/23/99/971422399.db2.gz XJUJPCIONGSPJD-CYBMUJFWSA-N 1 2 218.300 2.442 20 30 BEEDLO CC(C)[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001225196586 1169579716 /nfs/dbraw/zinc/57/97/16/1169579716.db2.gz QWBSKLBMFFDTCP-UHFFFAOYSA-N 1 2 216.284 2.030 20 30 BEEDLO N#CC1([NH2+]C2CCC3(COC3)CC2)CCCC1 ZINC001257899544 971515637 /nfs/dbraw/zinc/51/56/37/971515637.db2.gz RNALNFDHNIFVDM-UHFFFAOYSA-N 1 2 234.343 2.372 20 30 BEEDLO CCC(C#N)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172222874 974455448 /nfs/dbraw/zinc/45/54/48/974455448.db2.gz KCGYWVHHFHKVAO-YOGCLGLASA-N 1 2 222.332 2.368 20 30 BEEDLO CCC[C@@](C)(C#N)[NH2+][C@H]1CCCOCC1 ZINC001170800313 971843176 /nfs/dbraw/zinc/84/31/76/971843176.db2.gz YEFTVJJRPZJMIH-RYUDHWBXSA-N 1 2 210.321 2.227 20 30 BEEDLO CCC[C@@](C)(C#N)[NH2+][C@@H]1CCCOCC1 ZINC001170800311 971844761 /nfs/dbraw/zinc/84/47/61/971844761.db2.gz YEFTVJJRPZJMIH-NEPJUHHUSA-N 1 2 210.321 2.227 20 30 BEEDLO C#Cc1cccc(C[N@H+]2CCC(=O)C[C@H]2C)c1 ZINC001231657467 1169677021 /nfs/dbraw/zinc/67/70/21/1169677021.db2.gz LARLTBILMWZLLT-GFCCVEGCSA-N 1 2 227.307 2.221 20 30 BEEDLO C#Cc1cccc(C[N@@H+]2CCC(=O)C[C@H]2C)c1 ZINC001231657467 1169677033 /nfs/dbraw/zinc/67/70/33/1169677033.db2.gz LARLTBILMWZLLT-GFCCVEGCSA-N 1 2 227.307 2.221 20 30 BEEDLO C#Cc1cccc(C[NH+]2CC(OC(C)C)C2)c1 ZINC001231660964 1169680291 /nfs/dbraw/zinc/68/02/91/1169680291.db2.gz MFXJIXQFJZCFLD-UHFFFAOYSA-N 1 2 229.323 2.277 20 30 BEEDLO Cn1c[nH+]cc1CNc1cccc(CC#N)c1 ZINC000313454104 972086481 /nfs/dbraw/zinc/08/64/81/972086481.db2.gz WAANPRNPNWZKRD-UHFFFAOYSA-N 1 2 226.283 2.098 20 30 BEEDLO N#CC1(c2cc[nH+]c(NCCCS)c2)CC1 ZINC001171003969 972230988 /nfs/dbraw/zinc/23/09/88/972230988.db2.gz LNYNMLJPWVQHJS-UHFFFAOYSA-N 1 2 233.340 2.369 20 30 BEEDLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000705284950 957075431 /nfs/dbraw/zinc/07/54/31/957075431.db2.gz KEPRVUNFRVLTAN-IINYFYTJSA-N 1 2 248.301 2.043 20 30 BEEDLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000705284950 957075443 /nfs/dbraw/zinc/07/54/43/957075443.db2.gz KEPRVUNFRVLTAN-IINYFYTJSA-N 1 2 248.301 2.043 20 30 BEEDLO CC(C)Oc1ncccc1CC[N@H+](C)CCC#N ZINC001208788615 957171980 /nfs/dbraw/zinc/17/19/80/957171980.db2.gz OZNQSROJTCBUIB-UHFFFAOYSA-N 1 2 247.342 2.257 20 30 BEEDLO CC(C)Oc1ncccc1CC[N@@H+](C)CCC#N ZINC001208788615 957171985 /nfs/dbraw/zinc/17/19/85/957171985.db2.gz OZNQSROJTCBUIB-UHFFFAOYSA-N 1 2 247.342 2.257 20 30 BEEDLO C[C@H](C[N@H+]1CCC[C@H](C#N)C1)C(F)(F)F ZINC001208906102 957234741 /nfs/dbraw/zinc/23/47/41/957234741.db2.gz SQKUPIXILOVUBF-RKDXNWHRSA-N 1 2 220.238 2.420 20 30 BEEDLO C[C@H](C[N@@H+]1CCC[C@H](C#N)C1)C(F)(F)F ZINC001208906102 957234727 /nfs/dbraw/zinc/23/47/27/957234727.db2.gz SQKUPIXILOVUBF-RKDXNWHRSA-N 1 2 220.238 2.420 20 30 BEEDLO CCCCN(CC#N)c1cc(N)c(C)c[nH+]1 ZINC001167132188 957443453 /nfs/dbraw/zinc/44/34/53/957443453.db2.gz CAHOQWUSNCQFNA-UHFFFAOYSA-N 1 2 218.304 2.102 20 30 BEEDLO C=C1CCN(c2cc(NCCC)[nH+]cn2)CC1 ZINC000706475657 957885012 /nfs/dbraw/zinc/88/50/12/957885012.db2.gz NOGBGKQYDZXJKK-UHFFFAOYSA-N 1 2 232.331 2.455 20 30 BEEDLO C=C1CCN(c2cc(NCCC)nc[nH+]2)CC1 ZINC000706475657 957885014 /nfs/dbraw/zinc/88/50/14/957885014.db2.gz NOGBGKQYDZXJKK-UHFFFAOYSA-N 1 2 232.331 2.455 20 30 BEEDLO N#C[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001137028594 972334533 /nfs/dbraw/zinc/33/45/33/972334533.db2.gz VHCVCCSSXLUVCD-GFCCVEGCSA-N 1 2 228.295 2.062 20 30 BEEDLO N#C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001137028594 972334536 /nfs/dbraw/zinc/33/45/36/972334536.db2.gz VHCVCCSSXLUVCD-GFCCVEGCSA-N 1 2 228.295 2.062 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000308264532 958368303 /nfs/dbraw/zinc/36/83/03/958368303.db2.gz PEMAXQNVVHCWDC-SFYZADRCSA-N 1 2 221.131 2.272 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000308264532 958368321 /nfs/dbraw/zinc/36/83/21/958368321.db2.gz PEMAXQNVVHCWDC-SFYZADRCSA-N 1 2 221.131 2.272 20 30 BEEDLO CO[C@@H]1CCC[C@@H]([N@@H+]2CCCC[C@@H]2C#N)C1 ZINC000079811429 958433970 /nfs/dbraw/zinc/43/39/70/958433970.db2.gz ZHBXISSUZHHCQI-JHJVBQTASA-N 1 2 222.332 2.322 20 30 BEEDLO CO[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@@H]2C#N)C1 ZINC000079811429 958433974 /nfs/dbraw/zinc/43/39/74/958433974.db2.gz ZHBXISSUZHHCQI-JHJVBQTASA-N 1 2 222.332 2.322 20 30 BEEDLO CO[C@@H]1CCC[C@H]([N@@H+]2CCCC[C@@H]2C#N)C1 ZINC000079811424 958434148 /nfs/dbraw/zinc/43/41/48/958434148.db2.gz ZHBXISSUZHHCQI-YNEHKIRRSA-N 1 2 222.332 2.322 20 30 BEEDLO CO[C@@H]1CCC[C@H]([N@H+]2CCCC[C@@H]2C#N)C1 ZINC000079811424 958434153 /nfs/dbraw/zinc/43/41/53/958434153.db2.gz ZHBXISSUZHHCQI-YNEHKIRRSA-N 1 2 222.332 2.322 20 30 BEEDLO C[C@H](CC(C)(C)S)OCCn1cc[nH+]c1 ZINC001222138751 972389612 /nfs/dbraw/zinc/38/96/12/972389612.db2.gz JMJGIYACZXZJMA-SNVBAGLBSA-N 1 2 228.361 2.387 20 30 BEEDLO N#Cc1cncc(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001144074633 972546928 /nfs/dbraw/zinc/54/69/28/972546928.db2.gz XJGMYMRGAKVFHH-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1cncc(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001144074633 972546946 /nfs/dbraw/zinc/54/69/46/972546946.db2.gz XJGMYMRGAKVFHH-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO C=CC[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001144012475 972474749 /nfs/dbraw/zinc/47/47/49/972474749.db2.gz FKHVNKIMCJSPBT-SNVBAGLBSA-N 1 2 229.283 2.485 20 30 BEEDLO C=CC[C@@H](C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001144017340 972482314 /nfs/dbraw/zinc/48/23/14/972482314.db2.gz KHXDPBJEXJQUOP-GFCCVEGCSA-N 1 2 247.342 2.259 20 30 BEEDLO C=CC[C@@H](C)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001144029563 972515038 /nfs/dbraw/zinc/51/50/38/972515038.db2.gz XXPDIZYVMORUNC-LLVKDONJSA-N 1 2 247.342 2.437 20 30 BEEDLO N#C[C@@H]1CCCCN1Cc1ccn2cc[nH+]c2c1 ZINC001141046106 960837346 /nfs/dbraw/zinc/83/73/46/960837346.db2.gz MBCGKVAIQKRFGX-ZDUSSCGKSA-N 1 2 240.310 2.212 20 30 BEEDLO CCCCc1[nH]cc(CN(C)[C@H](C)C#N)[nH+]1 ZINC001141074153 960856985 /nfs/dbraw/zinc/85/69/85/960856985.db2.gz ZFTGKRKMQZECEL-SNVBAGLBSA-N 1 2 220.320 2.096 20 30 BEEDLO CCCCc1[nH]c(CN(C)[C@H](C)C#N)c[nH+]1 ZINC001141074153 960856978 /nfs/dbraw/zinc/85/69/78/960856978.db2.gz ZFTGKRKMQZECEL-SNVBAGLBSA-N 1 2 220.320 2.096 20 30 BEEDLO N#CCC[N@H+](Cc1cn[nH]c1)C1CCCC1 ZINC001203093704 960867216 /nfs/dbraw/zinc/86/72/16/960867216.db2.gz KXRYQGZDHFZNGF-UHFFFAOYSA-N 1 2 218.304 2.068 20 30 BEEDLO N#CCC[N@@H+](Cc1cn[nH]c1)C1CCCC1 ZINC001203093704 960867217 /nfs/dbraw/zinc/86/72/17/960867217.db2.gz KXRYQGZDHFZNGF-UHFFFAOYSA-N 1 2 218.304 2.068 20 30 BEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001141163915 960903890 /nfs/dbraw/zinc/90/38/90/960903890.db2.gz WLRVEUJUDFKDGJ-ZIAGYGMSSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001141163915 960903914 /nfs/dbraw/zinc/90/39/14/960903914.db2.gz WLRVEUJUDFKDGJ-ZIAGYGMSSA-N 1 2 246.285 2.061 20 30 BEEDLO N#C[C@@H]1CCCCN1Cc1ccc2[nH+]ccn2c1 ZINC001143027184 961867348 /nfs/dbraw/zinc/86/73/48/961867348.db2.gz LXKXZAAUHFEAOW-ZDUSSCGKSA-N 1 2 240.310 2.212 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(F)c(OC)c1F ZINC001143322078 962030475 /nfs/dbraw/zinc/03/04/75/962030475.db2.gz UCNGMUQAHCFWKD-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(F)c(OC)c1F ZINC001143322078 962030485 /nfs/dbraw/zinc/03/04/85/962030485.db2.gz UCNGMUQAHCFWKD-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO N#Cc1cccc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204959483 962472796 /nfs/dbraw/zinc/47/27/96/962472796.db2.gz OFZYJMSBVFMFDP-UHFFFAOYSA-N 1 2 235.250 2.345 20 30 BEEDLO Cn1ccc2c1nc[nH+]c2NC1=CC(=O)CCC1 ZINC001155703095 963160051 /nfs/dbraw/zinc/16/00/51/963160051.db2.gz GQABJKFBHVUWLK-UHFFFAOYSA-N 1 2 242.282 2.017 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H]1CCCc2nccnc21 ZINC001255160325 1169822255 /nfs/dbraw/zinc/82/22/55/1169822255.db2.gz ILGPDJAYBMNUES-PWSUYJOCSA-N 1 2 230.315 2.136 20 30 BEEDLO N#CCc1ccc[nH+]c1NCC1(F)CCOCC1 ZINC001168123347 963791125 /nfs/dbraw/zinc/79/11/25/963791125.db2.gz WPKHCIWCDWSWTE-UHFFFAOYSA-N 1 2 249.289 2.078 20 30 BEEDLO C[C@H]1C[C@@H](Nc2cc(CC#N)cc[nH+]2)CCO1 ZINC001161695059 964691754 /nfs/dbraw/zinc/69/17/54/964691754.db2.gz ZXTMCMMHDQUUGR-JQWIXIFHSA-N 1 2 231.299 2.127 20 30 BEEDLO N#CCc1cc[nH+]c(N[C@H]2C[C@]23CCCOC3)c1 ZINC001162374884 964950011 /nfs/dbraw/zinc/95/00/11/964950011.db2.gz FQWZXTRXEGHPGZ-JSGCOSHPSA-N 1 2 243.310 2.129 20 30 BEEDLO Cc1ccc(CNc2[nH+]cccc2CC#N)cn1 ZINC001162865924 965198537 /nfs/dbraw/zinc/19/85/37/965198537.db2.gz ODWCFNAGIRHZIC-UHFFFAOYSA-N 1 2 238.294 2.463 20 30 BEEDLO Cn1ccc2c[nH+]c(NC3=CC(=O)CCC3)nc21 ZINC001163451774 965408674 /nfs/dbraw/zinc/40/86/74/965408674.db2.gz MRTQXGWPYDCNPO-UHFFFAOYSA-N 1 2 242.282 2.017 20 30 BEEDLO COC1(C)CCN(c2cc(CC#N)cc[nH+]2)CC1 ZINC001163945791 965655204 /nfs/dbraw/zinc/65/52/04/965655204.db2.gz OKMXLNQVKPQZQI-UHFFFAOYSA-N 1 2 245.326 2.153 20 30 BEEDLO CC(C)c1[nH]cc(CNc2cccc(C#N)n2)[nH+]1 ZINC001164226792 965806740 /nfs/dbraw/zinc/80/67/40/965806740.db2.gz WDZIAXPTTZYIQC-UHFFFAOYSA-N 1 2 241.298 2.412 20 30 BEEDLO CC(C)c1[nH]c(CNc2cccc(C#N)n2)c[nH+]1 ZINC001164226792 965806742 /nfs/dbraw/zinc/80/67/42/965806742.db2.gz WDZIAXPTTZYIQC-UHFFFAOYSA-N 1 2 241.298 2.412 20 30 BEEDLO C#C[C@H]1CCCN(c2nc(C)[nH+]c3c2CCC3)C1 ZINC001167006561 966518852 /nfs/dbraw/zinc/51/88/52/966518852.db2.gz SJQMWFCJYHMOEL-LBPRGKRZSA-N 1 2 241.338 2.123 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)o1 ZINC001203290641 966604727 /nfs/dbraw/zinc/60/47/27/966604727.db2.gz OPLIAYYPQBRLDX-LBPRGKRZSA-N 1 2 249.335 2.362 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)o1 ZINC001203290641 966604736 /nfs/dbraw/zinc/60/47/36/966604736.db2.gz OPLIAYYPQBRLDX-LBPRGKRZSA-N 1 2 249.335 2.362 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](CC2OC=CC2=S)C1 ZINC001237186847 966646444 /nfs/dbraw/zinc/64/64/44/966646444.db2.gz TZOVDLWZPGAZEW-LLVKDONJSA-N 1 2 222.313 2.304 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](CC2OC=CC2=S)C1 ZINC001237186847 966646458 /nfs/dbraw/zinc/64/64/58/966646458.db2.gz TZOVDLWZPGAZEW-LLVKDONJSA-N 1 2 222.313 2.304 20 30 BEEDLO CNc1ccc(Nc2oc(C)nc2C#N)c[nH+]1 ZINC001203450078 966652749 /nfs/dbraw/zinc/65/27/49/966652749.db2.gz RTVASWFOFCKPQZ-UHFFFAOYSA-N 1 2 229.243 2.035 20 30 BEEDLO CNc1ccc(Nc2ccc(C#N)nc2C)c[nH+]1 ZINC001203449835 966653039 /nfs/dbraw/zinc/65/30/39/966653039.db2.gz MRIVZMUDGYPHAU-UHFFFAOYSA-N 1 2 239.282 2.442 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2CCC(=O)[C@H](F)CC2)c1 ZINC001203757341 966767645 /nfs/dbraw/zinc/76/76/45/966767645.db2.gz LVBRKWGYESDQCG-CYBMUJFWSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1cccc(C[N@H+]2CCC(=O)[C@H](F)CC2)c1 ZINC001203757341 966767652 /nfs/dbraw/zinc/76/76/52/966767652.db2.gz LVBRKWGYESDQCG-CYBMUJFWSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1cccc(C[N@H+]2CCCC(=O)CC2)c1 ZINC001203757281 966774114 /nfs/dbraw/zinc/77/41/14/966774114.db2.gz JINJVENQWUFLIW-UHFFFAOYSA-N 1 2 228.295 2.113 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2CCCC(=O)CC2)c1 ZINC001203757281 966774116 /nfs/dbraw/zinc/77/41/16/966774116.db2.gz JINJVENQWUFLIW-UHFFFAOYSA-N 1 2 228.295 2.113 20 30 BEEDLO CCOc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001203968899 966828719 /nfs/dbraw/zinc/82/87/19/966828719.db2.gz PTZYMDUSGVHBBA-ZDUSSCGKSA-N 1 2 230.311 2.431 20 30 BEEDLO CCOc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001203968899 966828725 /nfs/dbraw/zinc/82/87/25/966828725.db2.gz PTZYMDUSGVHBBA-ZDUSSCGKSA-N 1 2 230.311 2.431 20 30 BEEDLO C#Cc1cc(Nc2ccc(C)cc2CO)cc[nH+]1 ZINC001214448877 967064318 /nfs/dbraw/zinc/06/43/18/967064318.db2.gz LBEGMKUODWJVOK-UHFFFAOYSA-N 1 2 238.290 2.029 20 30 BEEDLO N#Cc1cncc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204951695 967249494 /nfs/dbraw/zinc/24/94/94/967249494.db2.gz XAYIIIHWILWGFJ-UHFFFAOYSA-N 1 2 235.250 2.345 20 30 BEEDLO C#Cc1ccc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001204971799 967269260 /nfs/dbraw/zinc/26/92/60/967269260.db2.gz QVHGJATYDYXPQW-UHFFFAOYSA-N 1 2 234.262 2.454 20 30 BEEDLO Cn1cc(C[N@H+](CCC#N)C2CCCC2)cn1 ZINC001205002452 967286572 /nfs/dbraw/zinc/28/65/72/967286572.db2.gz KRPHJHKSWDDRTC-UHFFFAOYSA-N 1 2 232.331 2.078 20 30 BEEDLO Cn1cc(C[N@@H+](CCC#N)C2CCCC2)cn1 ZINC001205002452 967286575 /nfs/dbraw/zinc/28/65/75/967286575.db2.gz KRPHJHKSWDDRTC-UHFFFAOYSA-N 1 2 232.331 2.078 20 30 BEEDLO Cc1ccc(CCn2cc[nH+]c2)cc1C#N ZINC001250320290 967695826 /nfs/dbraw/zinc/69/58/26/967695826.db2.gz KDSQUYMQAUNTLG-UHFFFAOYSA-N 1 2 211.268 2.306 20 30 BEEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cnoc1)C2 ZINC001205677136 967763140 /nfs/dbraw/zinc/76/31/40/967763140.db2.gz COVHVMBZZVQVHS-UHFFFAOYSA-N 1 2 239.278 2.105 20 30 BEEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1cnoc1)C2 ZINC001205677136 967763147 /nfs/dbraw/zinc/76/31/47/967763147.db2.gz COVHVMBZZVQVHS-UHFFFAOYSA-N 1 2 239.278 2.105 20 30 BEEDLO COc1cc[nH+]cc1NCC1(C#N)CCC1 ZINC001162413332 967831314 /nfs/dbraw/zinc/83/13/14/967831314.db2.gz OPZJISWJBQZKRT-UHFFFAOYSA-N 1 2 217.272 2.196 20 30 BEEDLO N#Cc1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001250460697 967886388 /nfs/dbraw/zinc/88/63/88/967886388.db2.gz HMUWJTQJIALJAI-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO C=C[C@@H](COC)[NH2+][C@H]1CCCc2oc(C)nc21 ZINC001119702167 968456477 /nfs/dbraw/zinc/45/64/77/968456477.db2.gz YZDIKKVBHTXLGS-QWRGUYRKSA-N 1 2 236.315 2.151 20 30 BEEDLO O=C1c2ccc(F)cc2C/C1=C/c1[nH]cc[nH+]1 ZINC000734305038 968617877 /nfs/dbraw/zinc/61/78/77/968617877.db2.gz GELJOZZCSSEIBX-CLFYSBASSA-N 1 2 228.226 2.371 20 30 BEEDLO C=C(C)C(C)(C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000825106573 968634752 /nfs/dbraw/zinc/63/47/52/968634752.db2.gz ZTXNWEKOVZBKKY-UHFFFAOYSA-N 1 2 235.331 2.245 20 30 BEEDLO C=C(C)c1c[nH+]c(N2CCOCC2)c(C)c1 ZINC001240834946 968741525 /nfs/dbraw/zinc/74/15/25/968741525.db2.gz KXDHYMTWCIJZJR-UHFFFAOYSA-N 1 2 218.300 2.260 20 30 BEEDLO CC1=C[C@@H](C)[C@@H](C[NH+]2CC(C#N)C2)CC1 ZINC001208166127 969098227 /nfs/dbraw/zinc/09/82/27/969098227.db2.gz VVGXYRWITBYQDP-DGCLKSJQSA-N 1 2 204.317 2.434 20 30 BEEDLO C[C@@H](C[N@@H+]1CC[C@@H](C#N)C1)C(F)(F)F ZINC001208905344 969296428 /nfs/dbraw/zinc/29/64/28/969296428.db2.gz NOCHKKTVKOUYCE-YUMQZZPRSA-N 1 2 206.211 2.030 20 30 BEEDLO C[C@@H](C[N@H+]1CC[C@@H](C#N)C1)C(F)(F)F ZINC001208905344 969296437 /nfs/dbraw/zinc/29/64/37/969296437.db2.gz NOCHKKTVKOUYCE-YUMQZZPRSA-N 1 2 206.211 2.030 20 30 BEEDLO C#CCCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001209261882 969416422 /nfs/dbraw/zinc/41/64/22/969416422.db2.gz KNGAFEUXCSCSIJ-JTQLQIEISA-N 1 2 201.260 2.377 20 30 BEEDLO C#CCCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001209261882 969416427 /nfs/dbraw/zinc/41/64/27/969416427.db2.gz KNGAFEUXCSCSIJ-JTQLQIEISA-N 1 2 201.260 2.377 20 30 BEEDLO N#CC1C[NH+](C2CCc3ccccc3CC2)C1 ZINC001254456986 969647012 /nfs/dbraw/zinc/64/70/12/969647012.db2.gz YWWKQQGWGFHPSE-UHFFFAOYSA-N 1 2 226.323 2.389 20 30 BEEDLO C[N@H+](CC#N)C1CCc2ccccc2CC1 ZINC001254462327 969649436 /nfs/dbraw/zinc/64/94/36/969649436.db2.gz XPQQZOHPIHVSOJ-UHFFFAOYSA-N 1 2 214.312 2.389 20 30 BEEDLO C[N@@H+](CC#N)C1CCc2ccccc2CC1 ZINC001254462327 969649444 /nfs/dbraw/zinc/64/94/44/969649444.db2.gz XPQQZOHPIHVSOJ-UHFFFAOYSA-N 1 2 214.312 2.389 20 30 BEEDLO Cc1nc2c(o1)CC[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254678794 969784852 /nfs/dbraw/zinc/78/48/52/969784852.db2.gz HPPVQDDONLEBTE-QWRGUYRKSA-N 1 2 231.299 2.033 20 30 BEEDLO Cc1nc2c(o1)CC[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254678794 969784861 /nfs/dbraw/zinc/78/48/61/969784861.db2.gz HPPVQDDONLEBTE-QWRGUYRKSA-N 1 2 231.299 2.033 20 30 BEEDLO N#CC1([NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)CCCC1 ZINC001254924624 969824594 /nfs/dbraw/zinc/82/45/94/969824594.db2.gz MRLYUKUPFHUEIQ-QWRGUYRKSA-N 1 2 232.327 2.170 20 30 BEEDLO CC[C@@](C)(C#N)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254934032 969827087 /nfs/dbraw/zinc/82/70/87/969827087.db2.gz HPCVADITXLOQJQ-WGBDABJCSA-N 1 2 220.316 2.026 20 30 BEEDLO C#Cc1cc(Nc2cc(C)oc2C)cc[nH+]1 ZINC001210278908 969847683 /nfs/dbraw/zinc/84/76/83/969847683.db2.gz YTKZANXVTZJRMW-UHFFFAOYSA-N 1 2 212.252 2.438 20 30 BEEDLO C#Cc1cc(Nc2ccc(C)cc2C#N)cc[nH+]1 ZINC001210564810 969941236 /nfs/dbraw/zinc/94/12/36/969941236.db2.gz FZQJWCQTMJVWRS-UHFFFAOYSA-N 1 2 233.274 2.409 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]C1(c2cccnc2)CC1 ZINC001255157903 969965893 /nfs/dbraw/zinc/96/58/93/969965893.db2.gz YNMIMADAFGSFSE-LBPRGKRZSA-N 1 2 215.300 2.353 20 30 BEEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC001255165813 969975723 /nfs/dbraw/zinc/97/57/23/969975723.db2.gz DNRWEQQVROACFV-NEPJUHHUSA-N 1 2 248.330 2.250 20 30 BEEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC001255165813 969975729 /nfs/dbraw/zinc/97/57/29/969975729.db2.gz DNRWEQQVROACFV-NEPJUHHUSA-N 1 2 248.330 2.250 20 30 BEEDLO CCc1cc(NC2=CC(=O)C[C@@H](C)C2)cc[nH+]1 ZINC001210771395 970024971 /nfs/dbraw/zinc/02/49/71/970024971.db2.gz NARGKIMTKWDERG-JTQLQIEISA-N 1 2 230.311 2.361 20 30 BEEDLO CCn1c[nH+]c(NC2=CC(=O)C[C@@H](C)C2)c1 ZINC001210771991 970026182 /nfs/dbraw/zinc/02/61/82/970026182.db2.gz UUILGBVEKBJUQN-VIFPVBQESA-N 1 2 219.288 2.198 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)CCC)CC1 ZINC001112682169 970148356 /nfs/dbraw/zinc/14/83/56/970148356.db2.gz HISLIKLEORNHBG-CYBMUJFWSA-N 1 2 238.375 2.143 20 30 BEEDLO CC#Cc1cncc(-c2ccn3cc(N)[nH+]c3c2)c1 ZINC001242940958 970163503 /nfs/dbraw/zinc/16/35/03/970163503.db2.gz QSNBDYGMJBYLDZ-UHFFFAOYSA-N 1 2 248.289 2.350 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255526721 970280350 /nfs/dbraw/zinc/28/03/50/970280350.db2.gz YSKHNMHPMJVCFT-YPMHNXCESA-N 1 2 224.348 2.472 20 30 BEEDLO C#Cc1cnc(Nc2c[nH+]cc(C)c2C)c(C#C)n1 ZINC001213527433 970345457 /nfs/dbraw/zinc/34/54/57/970345457.db2.gz KYFIINVMJSSJFR-UHFFFAOYSA-N 1 2 248.289 2.195 20 30 BEEDLO Cc1c[nH+]cc(Nc2nnccc2C#N)c1C ZINC001213527652 970350009 /nfs/dbraw/zinc/35/00/09/970350009.db2.gz XGVHWQZNHVVSRS-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)CC[C@H](C)CC)CC1 ZINC001113451875 970435953 /nfs/dbraw/zinc/43/59/53/970435953.db2.gz PKJWEVMGDAHSBP-CYBMUJFWSA-N 1 2 238.375 2.143 20 30 BEEDLO C#Cc1cc(Nc2cc(C)ccc2O)cc[nH+]1 ZINC001214218747 970470962 /nfs/dbraw/zinc/47/09/62/970470962.db2.gz KQJWNWZXUCJZQL-UHFFFAOYSA-N 1 2 224.263 2.242 20 30 BEEDLO C=CCC(C)(C)C(=O)NCCOc1cc[nH+]cc1 ZINC001144078173 972551394 /nfs/dbraw/zinc/55/13/94/972551394.db2.gz WPDBZVSNPWFKPE-UHFFFAOYSA-N 1 2 248.326 2.179 20 30 BEEDLO Cn1c[nH+]cc1CO[C@H](C#N)c1cccc(F)c1 ZINC001222600424 972598569 /nfs/dbraw/zinc/59/85/69/972598569.db2.gz OSQWXMYSXGHZSS-CYBMUJFWSA-N 1 2 245.257 2.341 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144188305 972675098 /nfs/dbraw/zinc/67/50/98/972675098.db2.gz VRNYSAXRMQCJST-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144188305 972675107 /nfs/dbraw/zinc/67/51/07/972675107.db2.gz VRNYSAXRMQCJST-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C=CCCn1cc(C[N@H+]2CC(C)(C)C2(C)C)nn1 ZINC001327792116 972732377 /nfs/dbraw/zinc/73/23/77/972732377.db2.gz FZLMZAVGAWVUHY-UHFFFAOYSA-N 1 2 248.374 2.475 20 30 BEEDLO C=CCCn1cc(C[N@@H+]2CC(C)(C)C2(C)C)nn1 ZINC001327792116 972732382 /nfs/dbraw/zinc/73/23/82/972732382.db2.gz FZLMZAVGAWVUHY-UHFFFAOYSA-N 1 2 248.374 2.475 20 30 BEEDLO C=CCC1([NH2+]Cc2ncn[nH]2)CCCCC1 ZINC001328891588 973383671 /nfs/dbraw/zinc/38/36/71/973383671.db2.gz GLKVWDGUMNUKED-UHFFFAOYSA-N 1 2 220.320 2.173 20 30 BEEDLO C=CC[N@H+](Cc1cn(C)nc1Cl)C(C)C ZINC001329508111 973803503 /nfs/dbraw/zinc/80/35/03/973803503.db2.gz XKSKYLFEVMTXFX-UHFFFAOYSA-N 1 2 227.739 2.470 20 30 BEEDLO C=CC[N@@H+](Cc1cn(C)nc1Cl)C(C)C ZINC001329508111 973803507 /nfs/dbraw/zinc/80/35/07/973803507.db2.gz XKSKYLFEVMTXFX-UHFFFAOYSA-N 1 2 227.739 2.470 20 30 BEEDLO C(#CC1CC1)COC1C[NH+](Cc2ccccc2)C1 ZINC001224844077 974018973 /nfs/dbraw/zinc/01/89/73/974018973.db2.gz IXYLJBURZYDARE-UHFFFAOYSA-N 1 2 241.334 2.301 20 30 BEEDLO Cc1nnn([NH+]=C[C@H]2CCC(F)(F)C2)c1C ZINC001330882075 974521621 /nfs/dbraw/zinc/52/16/21/974521621.db2.gz BROIIFUPJFAZEL-VIFPVBQESA-N 1 2 228.246 2.164 20 30 BEEDLO Cc1cc(C#N)c(OC2C[NH+](C(C)C)C2)nc1C ZINC001225529116 974541592 /nfs/dbraw/zinc/54/15/92/974541592.db2.gz LNUCJYMVXLCWEV-UHFFFAOYSA-N 1 2 245.326 2.042 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cc[nH+]c1 ZINC001330969238 974545181 /nfs/dbraw/zinc/54/51/81/974545181.db2.gz GCSXQGUXNGCOET-RWMBFGLXSA-N 1 2 245.326 2.154 20 30 BEEDLO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC1(F)F ZINC001172292427 974559778 /nfs/dbraw/zinc/55/97/78/974559778.db2.gz PBZKPNIEBQABOL-CABZTGNLSA-N 1 2 236.265 2.486 20 30 BEEDLO CCOCC[C@H](C)[NH2+][C@](C)(C#N)C(C)C ZINC001172409649 974670571 /nfs/dbraw/zinc/67/05/71/974670571.db2.gz ANGWELHAMCLREQ-NWDGAFQWSA-N 1 2 212.337 2.329 20 30 BEEDLO CCCC[N@H+](CC#N)[C@@H](C)CCOCC ZINC001172429643 974709487 /nfs/dbraw/zinc/70/94/87/974709487.db2.gz BSYMTWGJIHMXEQ-LBPRGKRZSA-N 1 2 212.337 2.427 20 30 BEEDLO CCCC[N@@H+](CC#N)[C@@H](C)CCOCC ZINC001172429643 974709492 /nfs/dbraw/zinc/70/94/92/974709492.db2.gz BSYMTWGJIHMXEQ-LBPRGKRZSA-N 1 2 212.337 2.427 20 30 BEEDLO CCCC[N@H+](CC#N)[C@H](C)CCOCC ZINC001172429641 974711356 /nfs/dbraw/zinc/71/13/56/974711356.db2.gz BSYMTWGJIHMXEQ-GFCCVEGCSA-N 1 2 212.337 2.427 20 30 BEEDLO CCCC[N@@H+](CC#N)[C@H](C)CCOCC ZINC001172429641 974711362 /nfs/dbraw/zinc/71/13/62/974711362.db2.gz BSYMTWGJIHMXEQ-GFCCVEGCSA-N 1 2 212.337 2.427 20 30 BEEDLO CC[NH+]1CC(Oc2c(C)cc(C#N)cc2C)C1 ZINC001226522198 974942146 /nfs/dbraw/zinc/94/21/46/974942146.db2.gz SCDTYWOMILVSSZ-UHFFFAOYSA-N 1 2 230.311 2.258 20 30 BEEDLO CO[C@@H]1CCC[C@@H]([NH2+]C2(C#N)CCCC2)C1 ZINC001172918833 974967746 /nfs/dbraw/zinc/96/77/46/974967746.db2.gz NALNUCVTIOKWRN-VXGBXAGGSA-N 1 2 222.332 2.370 20 30 BEEDLO CCCC[C@H](CC(C)C)N1CC[NH2+]C[C@@H]1C#N ZINC001173258447 975102827 /nfs/dbraw/zinc/10/28/27/975102827.db2.gz UXQCPJNNLLCRMA-KGLIPLIRSA-N 1 2 237.391 2.389 20 30 BEEDLO C=CCOC1CCC([N@@H+]2CCC[C@H]2C#N)CC1 ZINC001173319720 975308202 /nfs/dbraw/zinc/30/82/02/975308202.db2.gz SNLWDYHHBVBCMB-MOKVOYLWSA-N 1 2 234.343 2.488 20 30 BEEDLO C=CCOC1CCC([N@H+]2CCC[C@H]2C#N)CC1 ZINC001173319720 975308213 /nfs/dbraw/zinc/30/82/13/975308213.db2.gz SNLWDYHHBVBCMB-MOKVOYLWSA-N 1 2 234.343 2.488 20 30 BEEDLO Cc1nc(C[N@@H+](C)C2CCC(C)(C#N)CC2)no1 ZINC001173593190 975456942 /nfs/dbraw/zinc/45/69/42/975456942.db2.gz FSLUCKUAAPRSEP-UHFFFAOYSA-N 1 2 248.330 2.282 20 30 BEEDLO Cc1nc(C[N@H+](C)C2CCC(C)(C#N)CC2)no1 ZINC001173593190 975456966 /nfs/dbraw/zinc/45/69/66/975456966.db2.gz FSLUCKUAAPRSEP-UHFFFAOYSA-N 1 2 248.330 2.282 20 30 BEEDLO Cc1nnn([NH+]=C[C@@H]2CC[C@H]3C[C@H]3C2)c1C ZINC001333198953 975550795 /nfs/dbraw/zinc/55/07/95/975550795.db2.gz AIZFFDNCPOAWCV-GRYCIOLGSA-N 1 2 218.304 2.165 20 30 BEEDLO C=C[C@H](COC)[NH2+]Cc1nc2ccccc2o1 ZINC001333372755 975725088 /nfs/dbraw/zinc/72/50/88/975725088.db2.gz YMABRSQAQSCLES-SNVBAGLBSA-N 1 2 232.283 2.118 20 30 BEEDLO C=CC[C@H]([NH2+][C@H]1CCC12CCC2)C(=O)OCC ZINC001330640099 975809533 /nfs/dbraw/zinc/80/95/33/975809533.db2.gz XWDZTZUOZROFAR-RYUDHWBXSA-N 1 2 237.343 2.417 20 30 BEEDLO CC(C)(C)[NH+]1CC(Oc2cc(O)ccc2C#N)C1 ZINC001228005422 975846064 /nfs/dbraw/zinc/84/60/64/975846064.db2.gz NQTBDRFNGBMEIT-UHFFFAOYSA-N 1 2 246.310 2.125 20 30 BEEDLO C#Cc1cc(Nc2ccc(C(C)=O)cc2)cc[nH+]1 ZINC001173894632 975882114 /nfs/dbraw/zinc/88/21/14/975882114.db2.gz VVQGDZACSPIYTR-UHFFFAOYSA-N 1 2 236.274 2.431 20 30 BEEDLO C#C[C@H](CC)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228086773 975896351 /nfs/dbraw/zinc/89/63/51/975896351.db2.gz APJSGYSFHLBRMJ-CYBMUJFWSA-N 1 2 243.306 2.461 20 30 BEEDLO C#Cc1cc(Nc2ccc(N(C)C)cc2)cc[nH+]1 ZINC001174875154 977139247 /nfs/dbraw/zinc/13/92/47/977139247.db2.gz IAIQCYDTZGTASG-UHFFFAOYSA-N 1 2 237.306 2.294 20 30 BEEDLO O=C1C=C[C@@H](Oc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001231085471 977471015 /nfs/dbraw/zinc/47/10/15/977471015.db2.gz ULGBVLNQLLXYMX-CYBMUJFWSA-N 1 2 240.262 2.353 20 30 BEEDLO CC[N@H+](CCC#N)Cc1c[nH]c2cccnc12 ZINC001231488840 977609656 /nfs/dbraw/zinc/60/96/56/977609656.db2.gz BOYJYKPDCJLQEG-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1c[nH]c2cccnc12 ZINC001231488840 977609661 /nfs/dbraw/zinc/60/96/61/977609661.db2.gz BOYJYKPDCJLQEG-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO C#Cc1cc(Nc2ccc3c(C)n[nH]c3c2)cc[nH+]1 ZINC001175659832 977635502 /nfs/dbraw/zinc/63/55/02/977635502.db2.gz PHLZCWSFPKAXBJ-UHFFFAOYSA-N 1 2 248.289 2.413 20 30 BEEDLO C=CCOc1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001231624963 977656508 /nfs/dbraw/zinc/65/65/08/977656508.db2.gz IIPAHPFTSXWNCI-GASCZTMLSA-N 1 2 245.322 2.225 20 30 BEEDLO C=CCOc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001231624963 977656513 /nfs/dbraw/zinc/65/65/13/977656513.db2.gz IIPAHPFTSXWNCI-GASCZTMLSA-N 1 2 245.322 2.225 20 30 BEEDLO CC(=O)C[N@@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232112388 977892288 /nfs/dbraw/zinc/89/22/88/977892288.db2.gz UWPCAXRSWWKQLT-UHFFFAOYSA-N 1 2 236.702 2.232 20 30 BEEDLO CC(=O)C[N@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232112388 977892293 /nfs/dbraw/zinc/89/22/93/977892293.db2.gz UWPCAXRSWWKQLT-UHFFFAOYSA-N 1 2 236.702 2.232 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC3(COC3)C2)cc1Cl ZINC001232112396 977895568 /nfs/dbraw/zinc/89/55/68/977895568.db2.gz VGHAUAVJZSRMMQ-UHFFFAOYSA-N 1 2 248.713 2.044 20 30 BEEDLO COc1cc[nH+]cc1Nc1onc(C)c1C#N ZINC001176119743 977952407 /nfs/dbraw/zinc/95/24/07/977952407.db2.gz XMOGJLZAHLBDSR-UHFFFAOYSA-N 1 2 230.227 2.002 20 30 BEEDLO C[N@H+](CCC#N)Cc1cc(Cl)c(O)cc1O ZINC001232259062 977982130 /nfs/dbraw/zinc/98/21/30/977982130.db2.gz QWRLAAILJRGSIH-UHFFFAOYSA-N 1 2 240.690 2.097 20 30 BEEDLO C[N@@H+](CCC#N)Cc1cc(Cl)c(O)cc1O ZINC001232259062 977982141 /nfs/dbraw/zinc/98/21/41/977982141.db2.gz QWRLAAILJRGSIH-UHFFFAOYSA-N 1 2 240.690 2.097 20 30 BEEDLO C=CCn1cc(Nc2c[nH+]ccc2OC)cn1 ZINC001176543490 978100650 /nfs/dbraw/zinc/10/06/50/978100650.db2.gz DWIWIGCUVPOHMX-UHFFFAOYSA-N 1 2 230.271 2.216 20 30 BEEDLO CCC[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232673599 978234724 /nfs/dbraw/zinc/23/47/24/978234724.db2.gz JSUKOWRSBVIHMH-UHFFFAOYSA-N 1 2 204.273 2.106 20 30 BEEDLO CCC[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232673599 978234744 /nfs/dbraw/zinc/23/47/44/978234744.db2.gz JSUKOWRSBVIHMH-UHFFFAOYSA-N 1 2 204.273 2.106 20 30 BEEDLO N#Cc1ccc(O)c(C[NH+]2CCC(CF)CC2)c1 ZINC001232679938 978239053 /nfs/dbraw/zinc/23/90/53/978239053.db2.gz VLNKNSUDJUNKTN-UHFFFAOYSA-N 1 2 248.301 2.445 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001232678970 978240651 /nfs/dbraw/zinc/24/06/51/978240651.db2.gz WLLRYLHDVZQDIM-DRZSPHRISA-N 1 2 246.285 2.196 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001232678970 978240659 /nfs/dbraw/zinc/24/06/59/978240659.db2.gz WLLRYLHDVZQDIM-DRZSPHRISA-N 1 2 246.285 2.196 20 30 BEEDLO C=CC[N@@H+](C)Cc1ccc(F)c(O)c1F ZINC001232935271 978340903 /nfs/dbraw/zinc/34/09/03/978340903.db2.gz POWQBFWORFWLEX-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO C=CC[N@H+](C)Cc1ccc(F)c(O)c1F ZINC001232935271 978340913 /nfs/dbraw/zinc/34/09/13/978340913.db2.gz POWQBFWORFWLEX-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO N#C[C@H]1CCCCN1Cc1cccc2[nH+]ccn21 ZINC001233363141 978575151 /nfs/dbraw/zinc/57/51/51/978575151.db2.gz JSMIHNRRKCADBD-GFCCVEGCSA-N 1 2 240.310 2.212 20 30 BEEDLO CCCCN(CC#N)Cc1cccc2[nH+]ccn21 ZINC001233363460 978577698 /nfs/dbraw/zinc/57/76/98/978577698.db2.gz GNEAAEGYDGNYCU-UHFFFAOYSA-N 1 2 242.326 2.460 20 30 BEEDLO C=CC[C@@H]1CCCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001331247413 978821017 /nfs/dbraw/zinc/82/10/17/978821017.db2.gz MHUKIYVVJUYOAU-QWHCGFSZSA-N 1 2 247.342 2.259 20 30 BEEDLO CC[N@H+](CCC#N)C[C@H](C)C(F)(F)F ZINC000441165598 978823090 /nfs/dbraw/zinc/82/30/90/978823090.db2.gz HYAHTCIXLSBGHQ-QMMMGPOBSA-N 1 2 208.227 2.420 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@H](C)C(F)(F)F ZINC000441165598 978823093 /nfs/dbraw/zinc/82/30/93/978823093.db2.gz HYAHTCIXLSBGHQ-QMMMGPOBSA-N 1 2 208.227 2.420 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(C)[nH]n1 ZINC001339391912 978846886 /nfs/dbraw/zinc/84/68/86/978846886.db2.gz CZCSGNPUBXAVOM-LBPRGKRZSA-N 1 2 205.305 2.259 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C)[nH]n1 ZINC001339391912 978846889 /nfs/dbraw/zinc/84/68/89/978846889.db2.gz CZCSGNPUBXAVOM-LBPRGKRZSA-N 1 2 205.305 2.259 20 30 BEEDLO Nc1ccc(-c2ccc3c(c2)CC/C3=N/O)c[nH+]1 ZINC001236315052 979525750 /nfs/dbraw/zinc/52/57/50/979525750.db2.gz COVYARIBTPWNAI-LGMDPLHJSA-N 1 2 239.278 2.455 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(OC)c(Cl)c1O ZINC001236812437 979744496 /nfs/dbraw/zinc/74/44/96/979744496.db2.gz VSEQPKDJGMSMNS-UHFFFAOYSA-N 1 2 239.702 2.119 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(OC)c(Cl)c1O ZINC001236812437 979744505 /nfs/dbraw/zinc/74/45/05/979744505.db2.gz VSEQPKDJGMSMNS-UHFFFAOYSA-N 1 2 239.702 2.119 20 30 BEEDLO C#CC[N@@H+](C)Cc1[nH]c(-c2ccc[nH]2)cc1OC ZINC001237883062 980112105 /nfs/dbraw/zinc/11/21/05/980112105.db2.gz SLJKZNOYEYHZRL-UHFFFAOYSA-N 1 2 243.310 2.083 20 30 BEEDLO C#CC[N@H+](C)Cc1[nH]c(-c2ccc[nH]2)cc1OC ZINC001237883062 980112107 /nfs/dbraw/zinc/11/21/07/980112107.db2.gz SLJKZNOYEYHZRL-UHFFFAOYSA-N 1 2 243.310 2.083 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CC3CCC2CC3)n1 ZINC001345172122 980575945 /nfs/dbraw/zinc/57/59/45/980575945.db2.gz XNYNAWGZGNTSOF-UHFFFAOYSA-N 1 2 233.340 2.389 20 30 BEEDLO N#Cc1csc(C[N@H+]2CC3CCC2CC3)n1 ZINC001345172122 980575948 /nfs/dbraw/zinc/57/59/48/980575948.db2.gz XNYNAWGZGNTSOF-UHFFFAOYSA-N 1 2 233.340 2.389 20 30 BEEDLO C=C(CC(C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001346642861 980874113 /nfs/dbraw/zinc/87/41/13/980874113.db2.gz HEIWQEHJFPUQHK-LBPRGKRZSA-N 1 2 249.358 2.238 20 30 BEEDLO C=C(CC(C)C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001347120694 980982670 /nfs/dbraw/zinc/98/26/70/980982670.db2.gz OFJGNDKAOKSKCW-UHFFFAOYSA-N 1 2 249.358 2.337 20 30 BEEDLO N#Cc1ccnc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240215017 981164945 /nfs/dbraw/zinc/16/49/45/981164945.db2.gz OFLHXAIIFFGAEE-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO C#CC[C@@H]([NH2+]Cc1nncs1)c1ccccc1 ZINC001192790952 981192720 /nfs/dbraw/zinc/19/27/20/981192720.db2.gz DITHCNGTZHBQBP-GFCCVEGCSA-N 1 2 243.335 2.392 20 30 BEEDLO C#Cc1ccc(NCCCCn2cc[nH+]c2)nc1 ZINC001348075008 981273190 /nfs/dbraw/zinc/27/31/90/981273190.db2.gz YWSDORZLHOYJGK-UHFFFAOYSA-N 1 2 240.310 2.152 20 30 BEEDLO N#Cc1cccnc1-c1ccn2cc[nH+]c2c1 ZINC001240497366 981417003 /nfs/dbraw/zinc/41/70/03/981417003.db2.gz XNYZIPFZPODSHN-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO N#Cc1c(F)ccnc1-c1ccn2cc[nH+]c2c1 ZINC001240497253 981417106 /nfs/dbraw/zinc/41/71/06/981417106.db2.gz PHFYEIAJYJEJBM-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO N#Cc1ccc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240509063 981430550 /nfs/dbraw/zinc/43/05/50/981430550.db2.gz PTUJFMGPIPWJRJ-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO CCc1nc(C#N)cc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240503362 981430829 /nfs/dbraw/zinc/43/08/29/981430829.db2.gz MRTLTTRIRFCDKN-UHFFFAOYSA-N 1 2 249.277 2.225 20 30 BEEDLO N#CCc1cncc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240510833 981435434 /nfs/dbraw/zinc/43/54/34/981435434.db2.gz UPUBGPBHWWJJMG-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO CC(C)(COC(=O)CCCCC#N)n1cc[nH+]c1 ZINC001349019957 981498257 /nfs/dbraw/zinc/49/82/57/981498257.db2.gz CUGRLNBLQLOSNK-UHFFFAOYSA-N 1 2 249.314 2.245 20 30 BEEDLO C=CC[C@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)C(=O)OCC ZINC001349623407 981599808 /nfs/dbraw/zinc/59/98/08/981599808.db2.gz CNIVDHAXSKMUHQ-UTLUCORTSA-N 1 2 247.285 2.128 20 30 BEEDLO CCCn1cncc1C[NH2+][C@H](CC)CC#N ZINC000085186528 981643937 /nfs/dbraw/zinc/64/39/37/981643937.db2.gz VTKPLSUYPDJGOA-LLVKDONJSA-N 1 2 220.320 2.075 20 30 BEEDLO C=C1CC(c2noc([C@H](C)n3cc[nH+]c3)n2)C1 ZINC001350358468 981939683 /nfs/dbraw/zinc/93/96/83/981939683.db2.gz XORCZNQZWUESQN-VIFPVBQESA-N 1 2 230.271 2.309 20 30 BEEDLO C=C(CC)C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001351115397 982210171 /nfs/dbraw/zinc/21/01/71/982210171.db2.gz FCIXRNFNZCPASY-UHFFFAOYSA-N 1 2 247.342 2.092 20 30 BEEDLO N#Cc1ccc(-c2c[nH+]c3c(c2)CCCN3)cn1 ZINC001241435046 982589155 /nfs/dbraw/zinc/58/91/55/982589155.db2.gz OEBOROSVHKPFND-UHFFFAOYSA-N 1 2 236.278 2.016 20 30 BEEDLO N#Cc1ccc(F)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201286212 983164716 /nfs/dbraw/zinc/16/47/16/983164716.db2.gz ZGYLWPUAAHVNTE-UHFFFAOYSA-N 1 2 228.230 2.418 20 30 BEEDLO C=C(C)CCC(=O)NCCCNc1cccc[nH+]1 ZINC001357924726 983805691 /nfs/dbraw/zinc/80/56/91/983805691.db2.gz BJWAIROTIOGKSM-UHFFFAOYSA-N 1 2 247.342 2.356 20 30 BEEDLO C[C@H]1CC(=O)C=C(c2ccn3cc(N)[nH+]c3c2)C1 ZINC001242740486 984088392 /nfs/dbraw/zinc/08/83/92/984088392.db2.gz ZTSKHHKBEJZZFP-SECBINFHSA-N 1 2 241.294 2.299 20 30 BEEDLO C/C(=N\O)c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243072211 984503289 /nfs/dbraw/zinc/50/32/89/984503289.db2.gz MKUKGDKZRNPASO-NTEUORMPSA-N 1 2 215.256 2.285 20 30 BEEDLO CCCCCC[C@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001257363769 984934734 /nfs/dbraw/zinc/93/47/34/984934734.db2.gz ZFNYGANEBJTHRG-QWRGUYRKSA-N 1 2 247.404 2.406 20 30 BEEDLO C=C(CC(C)C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001456142524 985119114 /nfs/dbraw/zinc/11/91/14/985119114.db2.gz GKHJDMBSXKVSHS-UHFFFAOYSA-N 1 2 235.331 2.191 20 30 BEEDLO C=C(CC(C)C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001456142524 985119120 /nfs/dbraw/zinc/11/91/20/985119120.db2.gz GKHJDMBSXKVSHS-UHFFFAOYSA-N 1 2 235.331 2.191 20 30 BEEDLO C=CC(C)(C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001456989860 985181598 /nfs/dbraw/zinc/18/15/98/985181598.db2.gz XTVFFVHKOHMBOZ-UHFFFAOYSA-N 1 2 229.283 2.257 20 30 BEEDLO N#Cc1ncccc1SCc1ccc[nH+]c1N ZINC001459069950 985380632 /nfs/dbraw/zinc/38/06/32/985380632.db2.gz FNZLYSYOPDIWBU-UHFFFAOYSA-N 1 2 242.307 2.223 20 30 BEEDLO C=CCC[C@@H](C)[N@H+](C)Cc1noc(C)n1 ZINC001258724658 986063159 /nfs/dbraw/zinc/06/31/59/986063159.db2.gz BTGCJTQSPWHCIX-SECBINFHSA-N 1 2 209.293 2.165 20 30 BEEDLO C=CCC[C@@H](C)[N@@H+](C)Cc1noc(C)n1 ZINC001258724658 986063175 /nfs/dbraw/zinc/06/31/75/986063175.db2.gz BTGCJTQSPWHCIX-SECBINFHSA-N 1 2 209.293 2.165 20 30 BEEDLO C=C[C@@H](O)CNc1c(C)cc[nH+]c1C(C)C ZINC001253572053 986092049 /nfs/dbraw/zinc/09/20/49/986092049.db2.gz LAVCKERBTGDQQS-LLVKDONJSA-N 1 2 220.316 2.472 20 30 BEEDLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccccc1C#N)C2 ZINC001204372942 986098109 /nfs/dbraw/zinc/09/81/09/986098109.db2.gz NHGGSYYXLTYRJT-GJZGRUSLSA-N 1 2 242.322 2.312 20 30 BEEDLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccccc1C#N)C2 ZINC001204372942 986098123 /nfs/dbraw/zinc/09/81/23/986098123.db2.gz NHGGSYYXLTYRJT-GJZGRUSLSA-N 1 2 242.322 2.312 20 30 BEEDLO Cc1cccn2c(C[NH2+][C@H](C)CC#N)cnc12 ZINC001461723422 986129174 /nfs/dbraw/zinc/12/91/74/986129174.db2.gz CEMNTTHVZKDLRN-LLVKDONJSA-N 1 2 228.299 2.035 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(F)c(F)cc1O ZINC001462044019 986270848 /nfs/dbraw/zinc/27/08/48/986270848.db2.gz GKSZRYGJBAXOQT-SECBINFHSA-N 1 2 240.253 2.452 20 30 BEEDLO N#CC1([NH2+]C2CCC3(CC3)CC2)CCOCC1 ZINC001254437025 986635313 /nfs/dbraw/zinc/63/53/13/986635313.db2.gz FADOHGYIEZADIH-UHFFFAOYSA-N 1 2 234.343 2.372 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@@H](CO)c1cccc(OC)c1 ZINC001255155791 986830759 /nfs/dbraw/zinc/83/07/59/986830759.db2.gz TYYPYDPNFPTQKF-OCCSQVGLSA-N 1 2 248.326 2.010 20 30 BEEDLO Cc1ccc(CC#N)c(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245538670 986921952 /nfs/dbraw/zinc/92/19/52/986921952.db2.gz RTIAJLNLCDUTEH-UHFFFAOYSA-N 1 2 238.294 2.409 20 30 BEEDLO CC(C)c1[nH]cc(CNC(=O)CCCCC#N)[nH+]1 ZINC001472094360 987175361 /nfs/dbraw/zinc/17/53/61/987175361.db2.gz UNEIBZDTDUSONV-UHFFFAOYSA-N 1 2 248.330 2.233 20 30 BEEDLO CC(C)c1[nH]c(CNC(=O)CCCCC#N)c[nH+]1 ZINC001472094360 987175369 /nfs/dbraw/zinc/17/53/69/987175369.db2.gz UNEIBZDTDUSONV-UHFFFAOYSA-N 1 2 248.330 2.233 20 30 BEEDLO C#C[C@H]([NH2+]Cc1n[nH]c2ccccc21)C(C)C ZINC000694003805 987318806 /nfs/dbraw/zinc/31/88/06/987318806.db2.gz SSXFRAKTLDWBOO-LBPRGKRZSA-N 1 2 227.311 2.310 20 30 BEEDLO Cc1cnc(CC[N@@H+]2CCC[C@H](C#N)C2)c(C)c1 ZINC000401187638 987399860 /nfs/dbraw/zinc/39/98/60/987399860.db2.gz ZJEACPJILLRQNR-CQSZACIVSA-N 1 2 243.354 2.477 20 30 BEEDLO Cc1cnc(CC[N@H+]2CCC[C@H](C#N)C2)c(C)c1 ZINC000401187638 987399867 /nfs/dbraw/zinc/39/98/67/987399867.db2.gz ZJEACPJILLRQNR-CQSZACIVSA-N 1 2 243.354 2.477 20 30 BEEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1F ZINC001116440339 987572527 /nfs/dbraw/zinc/57/25/27/987572527.db2.gz QREKPKLGRUVJIZ-JTQLQIEISA-N 1 2 236.290 2.426 20 30 BEEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1F ZINC001116440339 987572543 /nfs/dbraw/zinc/57/25/43/987572543.db2.gz QREKPKLGRUVJIZ-JTQLQIEISA-N 1 2 236.290 2.426 20 30 BEEDLO CC(C)(C)c1cn(CC2(C#N)CC2)c[nH+]1 ZINC001118986723 988774546 /nfs/dbraw/zinc/77/45/46/988774546.db2.gz MEJCVUFHTYHQMA-UHFFFAOYSA-N 1 2 203.289 2.484 20 30 BEEDLO Cc1nnn([NH+]=C[C@H](C)CC(C)C)c1C ZINC001119298744 988887194 /nfs/dbraw/zinc/88/71/94/988887194.db2.gz LCHUROSCZVROMK-SECBINFHSA-N 1 2 208.309 2.411 20 30 BEEDLO C=CCC[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001514859006 988951712 /nfs/dbraw/zinc/95/17/12/988951712.db2.gz NJTCQJVGAHRLLP-LBPRGKRZSA-N 1 2 247.342 2.300 20 30 BEEDLO C=CCC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001516125737 989141176 /nfs/dbraw/zinc/14/11/76/989141176.db2.gz HQYKMIGIYHEKGS-NSHDSACASA-N 1 2 232.331 2.453 20 30 BEEDLO C=CCC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001516125737 989141182 /nfs/dbraw/zinc/14/11/82/989141182.db2.gz HQYKMIGIYHEKGS-NSHDSACASA-N 1 2 232.331 2.453 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001248752253 989145448 /nfs/dbraw/zinc/14/54/48/989145448.db2.gz DOOVPYNEIRMVGA-LSDHHAIUSA-N 1 2 242.322 2.094 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001248752253 989145450 /nfs/dbraw/zinc/14/54/50/989145450.db2.gz DOOVPYNEIRMVGA-LSDHHAIUSA-N 1 2 242.322 2.094 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001248752131 989146219 /nfs/dbraw/zinc/14/62/19/989146219.db2.gz YKTHBCNPTMHZMA-ZDUSSCGKSA-N 1 2 239.322 2.466 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001248752131 989146224 /nfs/dbraw/zinc/14/62/24/989146224.db2.gz YKTHBCNPTMHZMA-ZDUSSCGKSA-N 1 2 239.322 2.466 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2ccc3n2CCC3)C1 ZINC001248823740 989182863 /nfs/dbraw/zinc/18/28/63/989182863.db2.gz KDKWRMDLZPVYHX-GFCCVEGCSA-N 1 2 229.327 2.170 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc3n2CCC3)C1 ZINC001248823740 989182866 /nfs/dbraw/zinc/18/28/66/989182866.db2.gz KDKWRMDLZPVYHX-GFCCVEGCSA-N 1 2 229.327 2.170 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccnc(SC(C)C)n1 ZINC001248832291 989189098 /nfs/dbraw/zinc/18/90/98/989189098.db2.gz HWROTHHFLTUNDB-UHFFFAOYSA-N 1 2 235.356 2.042 20 30 BEEDLO C#CC[N@H+](C)Cc1ccnc(SC(C)C)n1 ZINC001248832291 989189105 /nfs/dbraw/zinc/18/91/05/989189105.db2.gz HWROTHHFLTUNDB-UHFFFAOYSA-N 1 2 235.356 2.042 20 30 BEEDLO C=C(CC)C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001520814467 989610109 /nfs/dbraw/zinc/61/01/09/989610109.db2.gz OKCOLLSGHQMVOU-UHFFFAOYSA-N 1 2 247.342 2.157 20 30 BEEDLO O=C1c2ccc(Cl)nc2C/C1=C\c1[nH]cc[nH+]1 ZINC001326691602 989653554 /nfs/dbraw/zinc/65/35/54/989653554.db2.gz ZXRGOWWJPMKAMG-VOTSOKGWSA-N 1 2 245.669 2.281 20 30 BEEDLO C=CCCC(C)(C)NC(=O)CCc1[nH+]ccn1C ZINC001521743965 989792749 /nfs/dbraw/zinc/79/27/49/989792749.db2.gz VVQCJGZZKDPNEG-UHFFFAOYSA-N 1 2 249.358 2.214 20 30 BEEDLO CC#CCCCC(=O)OCc1c[nH+]cn1CC ZINC001527012064 990200797 /nfs/dbraw/zinc/20/07/97/990200797.db2.gz PGNUVRWHUNCQNP-UHFFFAOYSA-N 1 2 234.299 2.140 20 30 BEEDLO C=C(CC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001557619714 990898819 /nfs/dbraw/zinc/89/88/19/990898819.db2.gz GSXXNQQKQKLTSB-UHFFFAOYSA-N 1 2 215.256 2.239 20 30 BEEDLO COC(=O)[C@H](CS)[NH2+][C@@H](C)CCC=C(C)C ZINC001258076033 990972194 /nfs/dbraw/zinc/97/21/94/990972194.db2.gz JIVZRUPWLGENFV-QWRGUYRKSA-N 1 2 245.388 2.182 20 30 BEEDLO N#C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001138716721 991014668 /nfs/dbraw/zinc/01/46/68/991014668.db2.gz VOQPRAUXDGNFFW-ZDUSSCGKSA-N 1 2 242.322 2.357 20 30 BEEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001138716721 991014674 /nfs/dbraw/zinc/01/46/74/991014674.db2.gz VOQPRAUXDGNFFW-ZDUSSCGKSA-N 1 2 242.322 2.357 20 30 BEEDLO Cc1ncoc1C[NH2+]Cc1cc(C#N)ccc1F ZINC001308521328 991018246 /nfs/dbraw/zinc/01/82/46/991018246.db2.gz AETYHXHUYNVPPK-UHFFFAOYSA-N 1 2 245.257 2.284 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2cccnc2F)CC1 ZINC001138793744 991058911 /nfs/dbraw/zinc/05/89/11/991058911.db2.gz LLTZYIUXABTZJT-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO C=CCOc1ccccc1C[N@@H+](C)C1(C)COC1 ZINC001139030357 991128287 /nfs/dbraw/zinc/12/82/87/991128287.db2.gz KNCSBYXRWMVXLH-UHFFFAOYSA-N 1 2 247.338 2.472 20 30 BEEDLO C=CCOc1ccccc1C[N@H+](C)C1(C)COC1 ZINC001139030357 991128291 /nfs/dbraw/zinc/12/82/91/991128291.db2.gz KNCSBYXRWMVXLH-UHFFFAOYSA-N 1 2 247.338 2.472 20 30 BEEDLO C#CC[N@@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC001308964167 991235608 /nfs/dbraw/zinc/23/56/08/991235608.db2.gz WMXXMPQJIUBKAN-NSHDSACASA-N 1 2 236.340 2.060 20 30 BEEDLO C#CC[N@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC001308964167 991235621 /nfs/dbraw/zinc/23/56/21/991235621.db2.gz WMXXMPQJIUBKAN-NSHDSACASA-N 1 2 236.340 2.060 20 30 BEEDLO C=CC[N@@H+](C)Cc1nnc(-c2ccccc2O)o1 ZINC001559768537 991248637 /nfs/dbraw/zinc/24/86/37/991248637.db2.gz GYDUSRMAXNLMSB-UHFFFAOYSA-N 1 2 245.282 2.060 20 30 BEEDLO C=CC[N@H+](C)Cc1nnc(-c2ccccc2O)o1 ZINC001559768537 991248648 /nfs/dbraw/zinc/24/86/48/991248648.db2.gz GYDUSRMAXNLMSB-UHFFFAOYSA-N 1 2 245.282 2.060 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC3(CSC3)C2)cc1F ZINC001139530452 991261334 /nfs/dbraw/zinc/26/13/34/991261334.db2.gz DYRJFFZNDBBHEJ-UHFFFAOYSA-N 1 2 248.326 2.246 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1F ZINC001139525084 991261778 /nfs/dbraw/zinc/26/17/78/991261778.db2.gz BBKXKDDLKTUYOL-RNCFNFMXSA-N 1 2 236.265 2.487 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1F ZINC001139525084 991261780 /nfs/dbraw/zinc/26/17/80/991261780.db2.gz BBKXKDDLKTUYOL-RNCFNFMXSA-N 1 2 236.265 2.487 20 30 BEEDLO C=CCn1cc(C[N@@H+]2CCc3occc3C2)cn1 ZINC001139771141 991363061 /nfs/dbraw/zinc/36/30/61/991363061.db2.gz PQASJCHTULOXDY-UHFFFAOYSA-N 1 2 243.310 2.220 20 30 BEEDLO C=CCn1cc(C[N@H+]2CCc3occc3C2)cn1 ZINC001139771141 991363066 /nfs/dbraw/zinc/36/30/66/991363066.db2.gz PQASJCHTULOXDY-UHFFFAOYSA-N 1 2 243.310 2.220 20 30 BEEDLO C=CCC[C@@H](C)N1CC([NH+]2CCC(F)CC2)C1 ZINC001258735593 991683736 /nfs/dbraw/zinc/68/37/36/991683736.db2.gz XMDKSLURFFDSAL-GFCCVEGCSA-N 1 2 240.366 2.459 20 30 BEEDLO C#CC[N@H+](CC1CC1)Cn1ncc(Cl)c1C ZINC001319456877 991871696 /nfs/dbraw/zinc/87/16/96/991871696.db2.gz GWRRVXQJWJGQGA-UHFFFAOYSA-N 1 2 237.734 2.148 20 30 BEEDLO C#CC[N@@H+](CC1CC1)Cn1ncc(Cl)c1C ZINC001319456877 991871698 /nfs/dbraw/zinc/87/16/98/991871698.db2.gz GWRRVXQJWJGQGA-UHFFFAOYSA-N 1 2 237.734 2.148 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)CCC ZINC001567274630 992000319 /nfs/dbraw/zinc/00/03/19/992000319.db2.gz DMTKXSJVYWTKBR-SNVBAGLBSA-N 1 2 246.782 2.223 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)CCC ZINC001567274630 992000329 /nfs/dbraw/zinc/00/03/29/992000329.db2.gz DMTKXSJVYWTKBR-SNVBAGLBSA-N 1 2 246.782 2.223 20 30 BEEDLO C=C(C)CNc1cc(C)[nH+]c(C(C)(C)C)n1 ZINC000381245867 993383022 /nfs/dbraw/zinc/38/30/22/993383022.db2.gz OEMGBGZHJLIAMF-UHFFFAOYSA-N 1 2 219.332 2.492 20 30 BEEDLO COC1(C)C[NH+](Cc2ccc(C)c(C#N)c2)C1 ZINC000700711880 993849400 /nfs/dbraw/zinc/84/94/00/993849400.db2.gz QAHCAOYQHHPDBL-UHFFFAOYSA-N 1 2 230.311 2.087 20 30 BEEDLO CC1C[NH+](Cc2cc(F)ccc2C#N)C1 ZINC000705023513 994056950 /nfs/dbraw/zinc/05/69/50/994056950.db2.gz ZNVCPKYBRNCPBO-UHFFFAOYSA-N 1 2 204.248 2.149 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)C(C)C ZINC001317463185 995254316 /nfs/dbraw/zinc/25/43/16/995254316.db2.gz DCEGUHKHSSDWAC-LLVKDONJSA-N 1 2 246.782 2.079 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)C(C)C ZINC001317463185 995254323 /nfs/dbraw/zinc/25/43/23/995254323.db2.gz DCEGUHKHSSDWAC-LLVKDONJSA-N 1 2 246.782 2.079 20 30 BEEDLO C#CCN(CC1CC1)c1cc(CC)[nH+]c(CC)n1 ZINC001307089425 995285494 /nfs/dbraw/zinc/28/54/94/995285494.db2.gz SZXOMXOHTMAVFL-UHFFFAOYSA-N 1 2 243.354 2.451 20 30 BEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)C ZINC001498434952 1170051256 /nfs/dbraw/zinc/05/12/56/1170051256.db2.gz UPWJUCVNHGBLLK-JTQLQIEISA-N 1 2 246.782 2.222 20 30 BEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C ZINC001498434952 1170051261 /nfs/dbraw/zinc/05/12/61/1170051261.db2.gz UPWJUCVNHGBLLK-JTQLQIEISA-N 1 2 246.782 2.222 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001567798572 1170095389 /nfs/dbraw/zinc/09/53/89/1170095389.db2.gz RFBCEDFUBRSKNM-LLVKDONJSA-N 1 2 238.375 2.045 20 30 BEEDLO C=C1CC[NH+](Cc2csnc2OC)CC1 ZINC001615440873 1170516236 /nfs/dbraw/zinc/51/62/36/1170516236.db2.gz HQXFQQYFNMYLRI-UHFFFAOYSA-N 1 2 224.329 2.304 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1ccc(O)c(F)c1F ZINC001621235120 1170748807 /nfs/dbraw/zinc/74/88/07/1170748807.db2.gz RFQWVAJKWURWRQ-UHFFFAOYSA-N 1 2 240.253 2.310 20 30 BEEDLO C#CCCCCCC[NH2+]C1(c2ncon2)CC1 ZINC001621539628 1170840484 /nfs/dbraw/zinc/84/04/84/1170840484.db2.gz OWKVSWJYLMLIIB-UHFFFAOYSA-N 1 2 233.315 2.232 20 30 BEEDLO CC[C@@H](CC#N)[N@H+](C)Cc1ccncc1 ZINC000036776151 1170916691 /nfs/dbraw/zinc/91/66/91/1170916691.db2.gz SSWPPOMIIRLNHZ-LBPRGKRZSA-N 1 2 203.289 2.206 20 30 BEEDLO CC[C@@H](CC#N)[N@@H+](C)Cc1ccncc1 ZINC000036776151 1170916699 /nfs/dbraw/zinc/91/66/99/1170916699.db2.gz SSWPPOMIIRLNHZ-LBPRGKRZSA-N 1 2 203.289 2.206 20 30 BEEDLO C=CCC(C)(C)CNc1cc(CC)[nH+]cn1 ZINC000379423246 398145976 /nfs/dbraw/zinc/14/59/76/398145976.db2.gz BDBBULNTWFESJK-UHFFFAOYSA-N 1 2 219.332 2.475 20 30 BEEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ncc(CC)s1 ZINC000649337008 398154423 /nfs/dbraw/zinc/15/44/23/398154423.db2.gz IVNPEAWMILZEIO-LLVKDONJSA-N 1 2 240.372 2.074 20 30 BEEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1ncc(CC)s1 ZINC000649337008 398154425 /nfs/dbraw/zinc/15/44/25/398154425.db2.gz IVNPEAWMILZEIO-LLVKDONJSA-N 1 2 240.372 2.074 20 30 BEEDLO C=C[C@H]([NH2+][C@H](CC)C1CCCC1)C(=O)OC ZINC000382805308 398202224 /nfs/dbraw/zinc/20/22/24/398202224.db2.gz BICQOUCXYGFGGO-NEPJUHHUSA-N 1 2 225.332 2.272 20 30 BEEDLO C=CCCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000576313361 365562941 /nfs/dbraw/zinc/56/29/41/365562941.db2.gz SEKSBVIROVEZQQ-JTQLQIEISA-N 1 2 221.291 2.291 20 30 BEEDLO C=CCCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000576313361 365562948 /nfs/dbraw/zinc/56/29/48/365562948.db2.gz SEKSBVIROVEZQQ-JTQLQIEISA-N 1 2 221.291 2.291 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC000602439050 349525343 /nfs/dbraw/zinc/52/53/43/349525343.db2.gz WUDPCZPNJSEPGY-UHFFFAOYSA-N 1 2 240.310 2.365 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC000602439050 349525346 /nfs/dbraw/zinc/52/53/46/349525346.db2.gz WUDPCZPNJSEPGY-UHFFFAOYSA-N 1 2 240.310 2.365 20 30 BEEDLO CC[N@@H+](Cc1cncc(OC)c1C)C[C@H](C)C#N ZINC000602448935 349549361 /nfs/dbraw/zinc/54/93/61/349549361.db2.gz WITDPLSJWROPSH-LLVKDONJSA-N 1 2 247.342 2.380 20 30 BEEDLO CC[N@H+](Cc1cncc(OC)c1C)C[C@H](C)C#N ZINC000602448935 349549365 /nfs/dbraw/zinc/54/93/65/349549365.db2.gz WITDPLSJWROPSH-LLVKDONJSA-N 1 2 247.342 2.380 20 30 BEEDLO CCN(C[C@@H](C)C#N)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602449343 349551191 /nfs/dbraw/zinc/55/11/91/349551191.db2.gz ZFBJCYRAGDRWLW-WCQYABFASA-N 1 2 246.358 2.353 20 30 BEEDLO Cc1ncc(C[N@@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000600146389 342690183 /nfs/dbraw/zinc/69/01/83/342690183.db2.gz VRMPLYCJJGJWAY-LBPRGKRZSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1ncc(C[N@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000600146389 342690184 /nfs/dbraw/zinc/69/01/84/342690184.db2.gz VRMPLYCJJGJWAY-LBPRGKRZSA-N 1 2 219.288 2.109 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(C2CC2)o1 ZINC000600150871 342691214 /nfs/dbraw/zinc/69/12/14/342691214.db2.gz IDRXWNZGXNLULZ-JTQLQIEISA-N 1 2 219.288 2.334 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1ccccn1 ZINC000042248216 342765128 /nfs/dbraw/zinc/76/51/28/342765128.db2.gz DLNIOTOVEDITAB-UHFFFAOYSA-N 1 2 203.289 2.206 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1ccccn1 ZINC000042248216 342765130 /nfs/dbraw/zinc/76/51/30/342765130.db2.gz DLNIOTOVEDITAB-UHFFFAOYSA-N 1 2 203.289 2.206 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070913446 361879881 /nfs/dbraw/zinc/87/98/81/361879881.db2.gz GDARGNVTTDRWCT-MRVPVSSYSA-N 1 2 206.211 2.174 20 30 BEEDLO N#C[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000070913446 361879884 /nfs/dbraw/zinc/87/98/84/361879884.db2.gz GDARGNVTTDRWCT-MRVPVSSYSA-N 1 2 206.211 2.174 20 30 BEEDLO C=CC[C@H]1CC[C@]2(C1)NC(=O)C[N@H+]2CC(C)C ZINC000649490019 398286995 /nfs/dbraw/zinc/28/69/95/398286995.db2.gz PDZJGSQEUNPRHH-JSGCOSHPSA-N 1 2 236.359 2.147 20 30 BEEDLO C=CC[C@H]1CC[C@]2(C1)NC(=O)C[N@@H+]2CC(C)C ZINC000649490019 398286997 /nfs/dbraw/zinc/28/69/97/398286997.db2.gz PDZJGSQEUNPRHH-JSGCOSHPSA-N 1 2 236.359 2.147 20 30 BEEDLO C=CC[C@@H]1CC[C@]2(C1)NC(=O)C[N@H+]2CCCC ZINC000649490041 398287250 /nfs/dbraw/zinc/28/72/50/398287250.db2.gz QDOQWGGMFBHEJP-OCCSQVGLSA-N 1 2 236.359 2.291 20 30 BEEDLO C=CC[C@@H]1CC[C@]2(C1)NC(=O)C[N@@H+]2CCCC ZINC000649490041 398287252 /nfs/dbraw/zinc/28/72/52/398287252.db2.gz QDOQWGGMFBHEJP-OCCSQVGLSA-N 1 2 236.359 2.291 20 30 BEEDLO C=CCCC(C)(C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000620858548 398301572 /nfs/dbraw/zinc/30/15/72/398301572.db2.gz IYLVLKRWRBEDSH-UHFFFAOYSA-N 1 2 221.304 2.193 20 30 BEEDLO Cc1ncc([C@@H](C)[NH2+]CC2(C#N)CC2)c(C)n1 ZINC000602644078 349655964 /nfs/dbraw/zinc/65/59/64/349655964.db2.gz UQLZLIMHUZSRBZ-SECBINFHSA-N 1 2 230.315 2.048 20 30 BEEDLO CC#CCC[N@H+](C)Cc1csc(C)n1 ZINC000155263862 398339157 /nfs/dbraw/zinc/33/91/57/398339157.db2.gz KDUSGGYCAHKZTL-UHFFFAOYSA-N 1 2 208.330 2.297 20 30 BEEDLO CC#CCC[N@@H+](C)Cc1csc(C)n1 ZINC000155263862 398339158 /nfs/dbraw/zinc/33/91/58/398339158.db2.gz KDUSGGYCAHKZTL-UHFFFAOYSA-N 1 2 208.330 2.297 20 30 BEEDLO C=CCN(CCC#N)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602672349 349666550 /nfs/dbraw/zinc/66/65/50/349666550.db2.gz OEFRBCFECVUCFX-ZDUSSCGKSA-N 1 2 244.342 2.273 20 30 BEEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)nc1 ZINC000156912971 398339778 /nfs/dbraw/zinc/33/97/78/398339778.db2.gz ZPZVCRFFZXFVLD-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)nc1 ZINC000156912971 398339779 /nfs/dbraw/zinc/33/97/79/398339779.db2.gz ZPZVCRFFZXFVLD-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157697739 398340476 /nfs/dbraw/zinc/34/04/76/398340476.db2.gz QMQJTIFORGEZKC-LLVKDONJSA-N 1 2 221.325 2.145 20 30 BEEDLO CC#CC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157697739 398340477 /nfs/dbraw/zinc/34/04/77/398340477.db2.gz QMQJTIFORGEZKC-LLVKDONJSA-N 1 2 221.325 2.145 20 30 BEEDLO C[C@@H](CCC#N)C[NH2+][C@@H](C)C(F)(F)F ZINC000602661469 349681282 /nfs/dbraw/zinc/68/12/82/349681282.db2.gz FVRMXEKSBITESL-YUMQZZPRSA-N 1 2 208.227 2.467 20 30 BEEDLO Cc1cc(C[NH2+]CC2(C#N)CCC2)sn1 ZINC000602694840 349691712 /nfs/dbraw/zinc/69/17/12/349691712.db2.gz KRMAVTSQYQIASQ-UHFFFAOYSA-N 1 2 221.329 2.235 20 30 BEEDLO N#CCC1C[NH+](Cc2nc3cc(F)ccc3o2)C1 ZINC000602710735 349703431 /nfs/dbraw/zinc/70/34/31/349703431.db2.gz YGXPIPPGOUVZGT-UHFFFAOYSA-N 1 2 245.257 2.312 20 30 BEEDLO C[C@@H](CCC#N)C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000602714943 349706495 /nfs/dbraw/zinc/70/64/95/349706495.db2.gz KKQUKZCIQRDGMQ-NSHDSACASA-N 1 2 232.331 2.098 20 30 BEEDLO C[C@@H](CCC#N)C[N@H+]1CCCc2[nH]ncc2C1 ZINC000602714943 349706500 /nfs/dbraw/zinc/70/65/00/349706500.db2.gz KKQUKZCIQRDGMQ-NSHDSACASA-N 1 2 232.331 2.098 20 30 BEEDLO C[C@H](CCC#N)C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000602714942 349706601 /nfs/dbraw/zinc/70/66/01/349706601.db2.gz KKQUKZCIQRDGMQ-LLVKDONJSA-N 1 2 232.331 2.098 20 30 BEEDLO C[C@H](CCC#N)C[N@H+]1CCCc2[nH]ncc2C1 ZINC000602714942 349706604 /nfs/dbraw/zinc/70/66/04/349706604.db2.gz KKQUKZCIQRDGMQ-LLVKDONJSA-N 1 2 232.331 2.098 20 30 BEEDLO C=C(CC)C[NH2+][C@@H](CCC)C(=O)OCC ZINC000313499677 259336436 /nfs/dbraw/zinc/33/64/36/259336436.db2.gz IDDZYMLBYOFELV-NSHDSACASA-N 1 2 213.321 2.274 20 30 BEEDLO C=CC[N@@H+](CC(C)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000602768401 349723541 /nfs/dbraw/zinc/72/35/41/349723541.db2.gz IFDDYRGYAGAVTO-UHFFFAOYSA-N 1 2 248.282 2.172 20 30 BEEDLO C=CC[N@H+](CC(C)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000602768401 349723545 /nfs/dbraw/zinc/72/35/45/349723545.db2.gz IFDDYRGYAGAVTO-UHFFFAOYSA-N 1 2 248.282 2.172 20 30 BEEDLO C[C@H]1OCC[C@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000602780379 349746034 /nfs/dbraw/zinc/74/60/34/349746034.db2.gz HSMBYHLZZHRSJI-OLZOCXBDSA-N 1 2 248.326 2.420 20 30 BEEDLO C[C@H]1OCC[C@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000602780379 349746037 /nfs/dbraw/zinc/74/60/37/349746037.db2.gz HSMBYHLZZHRSJI-OLZOCXBDSA-N 1 2 248.326 2.420 20 30 BEEDLO Cc1cc(C[N@@H+](C)CC2(CC#N)CC2)no1 ZINC000602764203 349734309 /nfs/dbraw/zinc/73/43/09/349734309.db2.gz UWYRPWCURWKECL-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1cc(C[N@H+](C)CC2(CC#N)CC2)no1 ZINC000602764203 349734312 /nfs/dbraw/zinc/73/43/12/349734312.db2.gz UWYRPWCURWKECL-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO N#CCC1(C[N@H+]2CCOC[C@@H]2CC(F)F)CC1 ZINC000602829998 349766415 /nfs/dbraw/zinc/76/64/15/349766415.db2.gz SWRUNXISMMXUKS-JTQLQIEISA-N 1 2 244.285 2.036 20 30 BEEDLO N#CCC1(C[N@@H+]2CCOC[C@@H]2CC(F)F)CC1 ZINC000602829998 349766417 /nfs/dbraw/zinc/76/64/17/349766417.db2.gz SWRUNXISMMXUKS-JTQLQIEISA-N 1 2 244.285 2.036 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ncc(CC)s1 ZINC000175517339 187228289 /nfs/dbraw/zinc/22/82/89/187228289.db2.gz BHHKMUYRGZMXGP-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO CC#CC[N@H+](C)Cc1ncc(CC)s1 ZINC000175517339 187228290 /nfs/dbraw/zinc/22/82/90/187228290.db2.gz BHHKMUYRGZMXGP-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO C[N@H+](CCC#N)C[C@@H](O)c1ccccc1Cl ZINC000177181099 346923220 /nfs/dbraw/zinc/92/32/20/346923220.db2.gz ZSDSEGHMTONZMJ-GFCCVEGCSA-N 1 2 238.718 2.219 20 30 BEEDLO C[N@@H+](CCC#N)C[C@@H](O)c1ccccc1Cl ZINC000177181099 346923224 /nfs/dbraw/zinc/92/32/24/346923224.db2.gz ZSDSEGHMTONZMJ-GFCCVEGCSA-N 1 2 238.718 2.219 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@@H](SC)C(C)(C)C)C(=O)OC ZINC000309953385 343108321 /nfs/dbraw/zinc/10/83/21/343108321.db2.gz HDIYETKMWNJVRN-NXEZZACHSA-N 1 2 245.388 2.081 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nnc2n1CCCC2 ZINC000265154228 187235114 /nfs/dbraw/zinc/23/51/14/187235114.db2.gz UFZFUGPCMJJTFT-UHFFFAOYSA-N 1 2 234.347 2.012 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nnc2n1CCCC2 ZINC000265154228 187235115 /nfs/dbraw/zinc/23/51/15/187235115.db2.gz UFZFUGPCMJJTFT-UHFFFAOYSA-N 1 2 234.347 2.012 20 30 BEEDLO C=C(C)CCSc1[nH+]cnc2c1cnn2C ZINC000274722046 187238107 /nfs/dbraw/zinc/23/81/07/187238107.db2.gz FMQFYCQOLAGJAD-UHFFFAOYSA-N 1 2 234.328 2.422 20 30 BEEDLO C=CCCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276447972 187238636 /nfs/dbraw/zinc/23/86/36/187238636.db2.gz BNQNHJIYNNMTNI-LLVKDONJSA-N 1 2 221.304 2.189 20 30 BEEDLO CC#CCCSc1nc(N)cc(CC)[nH+]1 ZINC000279137371 187240726 /nfs/dbraw/zinc/24/07/26/187240726.db2.gz XLBOMRRTFXDKDM-UHFFFAOYSA-N 1 2 221.329 2.127 20 30 BEEDLO COc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000042375295 136272697 /nfs/dbraw/zinc/27/26/97/136272697.db2.gz KFZBKNCJLWUJHX-NSHDSACASA-N 1 2 218.300 2.429 20 30 BEEDLO COc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000042375295 136272698 /nfs/dbraw/zinc/27/26/98/136272698.db2.gz KFZBKNCJLWUJHX-NSHDSACASA-N 1 2 218.300 2.429 20 30 BEEDLO OCCCCCC/[NH+]=C/c1cccc(O)c1O ZINC000271765113 136282633 /nfs/dbraw/zinc/28/26/33/136282633.db2.gz DEDHAOFXNNGEFE-GXDHUFHOSA-N 1 2 237.299 2.069 20 30 BEEDLO C=CC[N@@H+](C)Cc1ccncc1Br ZINC000625335242 343239817 /nfs/dbraw/zinc/23/98/17/343239817.db2.gz MIPCIMQLSKSGOZ-UHFFFAOYSA-N 1 2 241.132 2.462 20 30 BEEDLO C=CC[N@H+](C)Cc1ccncc1Br ZINC000625335242 343239818 /nfs/dbraw/zinc/23/98/18/343239818.db2.gz MIPCIMQLSKSGOZ-UHFFFAOYSA-N 1 2 241.132 2.462 20 30 BEEDLO Cc1ccccc1C[NH+]1CC(C)(C#N)C1 ZINC000335768133 136279213 /nfs/dbraw/zinc/27/92/13/136279213.db2.gz MIEGDZZHVODRGO-UHFFFAOYSA-N 1 2 200.285 2.341 20 30 BEEDLO CC#CC[N@H+](C)Cc1c(F)cccc1F ZINC000293341515 136289531 /nfs/dbraw/zinc/28/95/31/136289531.db2.gz HDXQDYJKKSIYMM-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO CC#CC[N@@H+](C)Cc1c(F)cccc1F ZINC000293341515 136289532 /nfs/dbraw/zinc/28/95/32/136289532.db2.gz HDXQDYJKKSIYMM-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1ncccc1Cl ZINC000625367932 343260574 /nfs/dbraw/zinc/26/05/74/343260574.db2.gz SKGCNXCZYYPSNO-UHFFFAOYSA-N 1 2 240.734 2.369 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1ncccc1Cl ZINC000625367932 343260576 /nfs/dbraw/zinc/26/05/76/343260576.db2.gz SKGCNXCZYYPSNO-UHFFFAOYSA-N 1 2 240.734 2.369 20 30 BEEDLO CC(C)CC[N@H+](CCC#N)Cc1ccnc(N)c1 ZINC000299299150 136291772 /nfs/dbraw/zinc/29/17/72/136291772.db2.gz OGAFONVOMPKVQI-UHFFFAOYSA-N 1 2 246.358 2.426 20 30 BEEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccnc(N)c1 ZINC000299299150 136291773 /nfs/dbraw/zinc/29/17/73/136291773.db2.gz OGAFONVOMPKVQI-UHFFFAOYSA-N 1 2 246.358 2.426 20 30 BEEDLO Cc1nc(CC(N)=[NH+]OCCCCF)cs1 ZINC000285032457 136287615 /nfs/dbraw/zinc/28/76/15/136287615.db2.gz FKUMKYRKWFVPIV-UHFFFAOYSA-N 1 2 245.323 2.033 20 30 BEEDLO COc1ccc2c(c1)CCC[N@@H+](CCC#N)C2 ZINC000609133942 343315380 /nfs/dbraw/zinc/31/53/80/343315380.db2.gz NGDUDKMWVFBMKN-UHFFFAOYSA-N 1 2 230.311 2.357 20 30 BEEDLO COc1ccc2c(c1)CCC[N@H+](CCC#N)C2 ZINC000609133942 343315381 /nfs/dbraw/zinc/31/53/81/343315381.db2.gz NGDUDKMWVFBMKN-UHFFFAOYSA-N 1 2 230.311 2.357 20 30 BEEDLO CC#CC[NH2+]Cc1cn(C[C@H](C)CC(C)C)nn1 ZINC000641077652 362187174 /nfs/dbraw/zinc/18/71/74/362187174.db2.gz MPULOGDJDXKGQK-CYBMUJFWSA-N 1 2 248.374 2.073 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000299212164 343398478 /nfs/dbraw/zinc/39/84/78/343398478.db2.gz DQNWQVFPJPTBDG-JSGCOSHPSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000299212164 343398479 /nfs/dbraw/zinc/39/84/79/343398479.db2.gz DQNWQVFPJPTBDG-JSGCOSHPSA-N 1 2 215.296 2.082 20 30 BEEDLO N#CCC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602910003 349807777 /nfs/dbraw/zinc/80/77/77/349807777.db2.gz CCXYOBUVGDXZJG-UHFFFAOYSA-N 1 2 240.310 2.046 20 30 BEEDLO C[C@@H]1[C@@H](C)[N@H+](Cc2cc(C#N)cs2)CCN1C ZINC000335680498 136328832 /nfs/dbraw/zinc/32/88/32/136328832.db2.gz VDFJHKBWOXGRLP-GHMZBOCLSA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cc(C#N)cs2)CCN1C ZINC000335680498 136328833 /nfs/dbraw/zinc/32/88/33/136328833.db2.gz VDFJHKBWOXGRLP-GHMZBOCLSA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000042324585 343434502 /nfs/dbraw/zinc/43/45/02/343434502.db2.gz AGOBFFIWOLBPKS-LBPRGKRZSA-N 1 2 243.310 2.029 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000042324585 343434503 /nfs/dbraw/zinc/43/45/03/343434503.db2.gz AGOBFFIWOLBPKS-LBPRGKRZSA-N 1 2 243.310 2.029 20 30 BEEDLO C[C@H]1COCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000335877517 136356499 /nfs/dbraw/zinc/35/64/99/136356499.db2.gz QDDLBPSFYWGAAJ-LLVKDONJSA-N 1 2 248.301 2.166 20 30 BEEDLO C[C@H]1COCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000335877517 136356500 /nfs/dbraw/zinc/35/65/00/136356500.db2.gz QDDLBPSFYWGAAJ-LLVKDONJSA-N 1 2 248.301 2.166 20 30 BEEDLO C[C@@H]1COCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000335877518 136356637 /nfs/dbraw/zinc/35/66/37/136356637.db2.gz QDDLBPSFYWGAAJ-NSHDSACASA-N 1 2 248.301 2.166 20 30 BEEDLO C[C@@H]1COCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000335877518 136356638 /nfs/dbraw/zinc/35/66/38/136356638.db2.gz QDDLBPSFYWGAAJ-NSHDSACASA-N 1 2 248.301 2.166 20 30 BEEDLO C=C(C)C[N@@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000351060991 136366926 /nfs/dbraw/zinc/36/69/26/136366926.db2.gz GGTVYBKSOISLBY-UHFFFAOYSA-N 1 2 220.316 2.322 20 30 BEEDLO C=C(C)C[N@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000351060991 136366927 /nfs/dbraw/zinc/36/69/27/136366927.db2.gz GGTVYBKSOISLBY-UHFFFAOYSA-N 1 2 220.316 2.322 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000351099632 136367678 /nfs/dbraw/zinc/36/76/78/136367678.db2.gz LMBSFEQLPCESNQ-UHFFFAOYSA-N 1 2 242.326 2.275 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000351099632 136367679 /nfs/dbraw/zinc/36/76/79/136367679.db2.gz LMBSFEQLPCESNQ-UHFFFAOYSA-N 1 2 242.326 2.275 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000042324582 187265707 /nfs/dbraw/zinc/26/57/07/187265707.db2.gz AGOBFFIWOLBPKS-GFCCVEGCSA-N 1 2 243.310 2.029 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000042324582 187265709 /nfs/dbraw/zinc/26/57/09/187265709.db2.gz AGOBFFIWOLBPKS-GFCCVEGCSA-N 1 2 243.310 2.029 20 30 BEEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccn[nH]1)CC2 ZINC000335871795 344035512 /nfs/dbraw/zinc/03/55/12/344035512.db2.gz VZADRUOVPURRDQ-AWEZNQCLSA-N 1 2 238.294 2.058 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)CCOc1ccccc1 ZINC000047979694 187269524 /nfs/dbraw/zinc/26/95/24/187269524.db2.gz NBNKCMKWPDEDCH-GFCCVEGCSA-N 1 2 218.300 2.157 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)CCOc1ccccc1 ZINC000047979694 187269526 /nfs/dbraw/zinc/26/95/26/187269526.db2.gz NBNKCMKWPDEDCH-GFCCVEGCSA-N 1 2 218.300 2.157 20 30 BEEDLO C=C[C@@H]([NH2+]CC1CCCCCC1)C(=O)OC ZINC000389264274 343685634 /nfs/dbraw/zinc/68/56/34/343685634.db2.gz IZJNDOGIYOOWDX-GFCCVEGCSA-N 1 2 225.332 2.274 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cn1 ZINC000602977634 349841919 /nfs/dbraw/zinc/84/19/19/349841919.db2.gz DSTBVGAJRDEMFA-OLZOCXBDSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cn1 ZINC000602977634 349841921 /nfs/dbraw/zinc/84/19/21/349841921.db2.gz DSTBVGAJRDEMFA-OLZOCXBDSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)ccn1 ZINC000602980432 349845330 /nfs/dbraw/zinc/84/53/30/349845330.db2.gz QBDZSJJJMNDUAT-STQMWFEESA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)ccn1 ZINC000602980432 349845332 /nfs/dbraw/zinc/84/53/32/349845332.db2.gz QBDZSJJJMNDUAT-STQMWFEESA-N 1 2 245.326 2.214 20 30 BEEDLO C[N@H+](Cc1ccc(C#N)cn1)[C@H]1CCC[C@@H]1C#N ZINC000602980640 349846142 /nfs/dbraw/zinc/84/61/42/349846142.db2.gz SPNKAJFUQMWKJB-OCCSQVGLSA-N 1 2 240.310 2.077 20 30 BEEDLO C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCC[C@@H]1C#N ZINC000602980640 349846144 /nfs/dbraw/zinc/84/61/44/349846144.db2.gz SPNKAJFUQMWKJB-OCCSQVGLSA-N 1 2 240.310 2.077 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+](Cc2noc(CCC)n2)C1 ZINC000625699673 344038809 /nfs/dbraw/zinc/03/88/09/344038809.db2.gz CJHVPZMOSACNKB-LLVKDONJSA-N 1 2 235.331 2.420 20 30 BEEDLO C=CC[C@@H]1CC[N@H+](Cc2noc(CCC)n2)C1 ZINC000625699673 344038812 /nfs/dbraw/zinc/03/88/12/344038812.db2.gz CJHVPZMOSACNKB-LLVKDONJSA-N 1 2 235.331 2.420 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(F)ccc1O ZINC000180075939 347012622 /nfs/dbraw/zinc/01/26/22/347012622.db2.gz GICFAJWLCGZPQS-SECBINFHSA-N 1 2 222.263 2.265 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180075939 347012626 /nfs/dbraw/zinc/01/26/26/347012626.db2.gz GICFAJWLCGZPQS-SECBINFHSA-N 1 2 222.263 2.265 20 30 BEEDLO C=CCCC[NH2+]c1ccc(-n2cnnn2)c(C)c1 ZINC000157140628 343926512 /nfs/dbraw/zinc/92/65/12/343926512.db2.gz IWMCXCIDKPIBLN-UHFFFAOYSA-N 1 2 243.314 2.349 20 30 BEEDLO CC1(C)C[N@H+](CCC#N)CC2(CCCC2)O1 ZINC000335883579 344043327 /nfs/dbraw/zinc/04/33/27/344043327.db2.gz KLSNGPMWHBGVPY-UHFFFAOYSA-N 1 2 222.332 2.324 20 30 BEEDLO CC1(C)C[N@@H+](CCC#N)CC2(CCCC2)O1 ZINC000335883579 344043329 /nfs/dbraw/zinc/04/33/29/344043329.db2.gz KLSNGPMWHBGVPY-UHFFFAOYSA-N 1 2 222.332 2.324 20 30 BEEDLO Cc1cccc(C[N@@H+](C)[C@@H](C)CC#N)n1 ZINC000092429130 343955785 /nfs/dbraw/zinc/95/57/85/343955785.db2.gz BRFPNFAJSPGOMO-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1cccc(C[N@H+](C)[C@@H](C)CC#N)n1 ZINC000092429130 343955787 /nfs/dbraw/zinc/95/57/87/343955787.db2.gz BRFPNFAJSPGOMO-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1cccc(C[N@@H+](C)[C@H](C)CC#N)n1 ZINC000092429133 343955848 /nfs/dbraw/zinc/95/58/48/343955848.db2.gz BRFPNFAJSPGOMO-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1cccc(C[N@H+](C)[C@H](C)CC#N)n1 ZINC000092429133 343955849 /nfs/dbraw/zinc/95/58/49/343955849.db2.gz BRFPNFAJSPGOMO-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO N#CCCCC[N@@H+](CC(F)F)C1CC1 ZINC000106873041 347035168 /nfs/dbraw/zinc/03/51/68/347035168.db2.gz LQZPGHBFYLDQOW-UHFFFAOYSA-N 1 2 202.248 2.410 20 30 BEEDLO N#CCCCC[N@H+](CC(F)F)C1CC1 ZINC000106873041 347035171 /nfs/dbraw/zinc/03/51/71/347035171.db2.gz LQZPGHBFYLDQOW-UHFFFAOYSA-N 1 2 202.248 2.410 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](CC)c1nccn1C ZINC000132265988 344295526 /nfs/dbraw/zinc/29/55/26/344295526.db2.gz LFIDHPQVSYTDEU-VIFPVBQESA-N 1 2 213.712 2.213 20 30 BEEDLO Cc1cc(N)nc(S[C@@H]2CC[C@@H](C#N)C2)[nH+]1 ZINC000278538165 344263001 /nfs/dbraw/zinc/26/30/01/344263001.db2.gz JKXSRCXSYADNOR-RKDXNWHRSA-N 1 2 234.328 2.152 20 30 BEEDLO CC[N@@H+](Cc1ccncc1)C[C@H](C)C#N ZINC000042209945 344445958 /nfs/dbraw/zinc/44/59/58/344445958.db2.gz ZGGDOZZIRLRETA-LLVKDONJSA-N 1 2 203.289 2.063 20 30 BEEDLO CC[N@H+](Cc1ccncc1)C[C@H](C)C#N ZINC000042209945 344445959 /nfs/dbraw/zinc/44/59/59/344445959.db2.gz ZGGDOZZIRLRETA-LLVKDONJSA-N 1 2 203.289 2.063 20 30 BEEDLO C=CCN(C(=O)CCCn1cc[nH+]c1)C(C)(C)C ZINC000622943757 344499360 /nfs/dbraw/zinc/49/93/60/344499360.db2.gz QBIKWIIGQUAFEQ-UHFFFAOYSA-N 1 2 249.358 2.476 20 30 BEEDLO Cc1nc(C[N@H+](C)CCCC#N)cs1 ZINC000044609160 344542598 /nfs/dbraw/zinc/54/25/98/344542598.db2.gz OKRDBHMFXJTTDU-UHFFFAOYSA-N 1 2 209.318 2.187 20 30 BEEDLO Cc1nc(C[N@@H+](C)CCCC#N)cs1 ZINC000044609160 344542599 /nfs/dbraw/zinc/54/25/99/344542599.db2.gz OKRDBHMFXJTTDU-UHFFFAOYSA-N 1 2 209.318 2.187 20 30 BEEDLO FCC[C@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000626004656 344666197 /nfs/dbraw/zinc/66/61/97/344666197.db2.gz LVMKJBBWPRRDTM-HNNXBMFYSA-N 1 2 247.313 2.099 20 30 BEEDLO FCC[C@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000626004656 344666199 /nfs/dbraw/zinc/66/61/99/344666199.db2.gz LVMKJBBWPRRDTM-HNNXBMFYSA-N 1 2 247.313 2.099 20 30 BEEDLO C=CC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000119292830 344844558 /nfs/dbraw/zinc/84/45/58/344844558.db2.gz GYRMSSHSCNRQPK-CQSZACIVSA-N 1 2 245.322 2.146 20 30 BEEDLO C=CC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000119292830 344844559 /nfs/dbraw/zinc/84/45/59/344844559.db2.gz GYRMSSHSCNRQPK-CQSZACIVSA-N 1 2 245.322 2.146 20 30 BEEDLO N#C[C@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC000119863630 344868285 /nfs/dbraw/zinc/86/82/85/344868285.db2.gz WIAZGPDAGOMGSS-ZDUSSCGKSA-N 1 2 222.332 2.181 20 30 BEEDLO N#C[C@H]1C[N@@H+](CC2CCCCCC2)CCO1 ZINC000119863630 344868288 /nfs/dbraw/zinc/86/82/88/344868288.db2.gz WIAZGPDAGOMGSS-ZDUSSCGKSA-N 1 2 222.332 2.181 20 30 BEEDLO C[N@H+](CCC#N)Cc1ccc(-n2cccn2)cc1 ZINC000078646316 344892989 /nfs/dbraw/zinc/89/29/89/344892989.db2.gz LDQFBZBHCOARMO-UHFFFAOYSA-N 1 2 240.310 2.218 20 30 BEEDLO C[N@@H+](CCC#N)Cc1ccc(-n2cccn2)cc1 ZINC000078646316 344892991 /nfs/dbraw/zinc/89/29/91/344892991.db2.gz LDQFBZBHCOARMO-UHFFFAOYSA-N 1 2 240.310 2.218 20 30 BEEDLO Cc1nc(CC[N@@H+](C)[C@@H](C)CC#N)cs1 ZINC000125304708 345074723 /nfs/dbraw/zinc/07/47/23/345074723.db2.gz GUSOARAKWSAURU-VIFPVBQESA-N 1 2 223.345 2.228 20 30 BEEDLO Cc1nc(CC[N@H+](C)[C@@H](C)CC#N)cs1 ZINC000125304708 345074725 /nfs/dbraw/zinc/07/47/25/345074725.db2.gz GUSOARAKWSAURU-VIFPVBQESA-N 1 2 223.345 2.228 20 30 BEEDLO CC#CCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000156487670 345168476 /nfs/dbraw/zinc/16/84/76/345168476.db2.gz GLDXSSUWHYIAMA-OAHLLOKOSA-N 1 2 245.322 2.179 20 30 BEEDLO CC#CCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000156487670 345168478 /nfs/dbraw/zinc/16/84/78/345168478.db2.gz GLDXSSUWHYIAMA-OAHLLOKOSA-N 1 2 245.322 2.179 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361708420 345129676 /nfs/dbraw/zinc/12/96/76/345129676.db2.gz ZDGUCUHLJUNSBK-JTQLQIEISA-N 1 2 231.274 2.289 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361708420 345129677 /nfs/dbraw/zinc/12/96/77/345129677.db2.gz ZDGUCUHLJUNSBK-JTQLQIEISA-N 1 2 231.274 2.289 20 30 BEEDLO Cc1cc(N(C)CC[C@H]2CCCO2)c(C#N)c[nH+]1 ZINC000425258342 192085936 /nfs/dbraw/zinc/08/59/36/192085936.db2.gz SOFBODWRWUKPHH-CYBMUJFWSA-N 1 2 245.326 2.267 20 30 BEEDLO CC1(C#N)CCN(c2cc[nH+]cc2F)CC1 ZINC000603333240 349925519 /nfs/dbraw/zinc/92/55/19/349925519.db2.gz KNMBHFQNAMRUBO-UHFFFAOYSA-N 1 2 219.263 2.351 20 30 BEEDLO CC1(C)COCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000130901597 345288991 /nfs/dbraw/zinc/28/89/91/345288991.db2.gz OVRLBYZCQPXYOQ-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO CC1(C)COCC[N@H+]1Cc1ccc(C#N)s1 ZINC000130901597 345288992 /nfs/dbraw/zinc/28/89/92/345288992.db2.gz OVRLBYZCQPXYOQ-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO CC(C)c1nc(N[C@@H]2CC[C@H](C#N)C2)cc[nH+]1 ZINC000425274107 192087105 /nfs/dbraw/zinc/08/71/05/192087105.db2.gz QKANKBXFMWWIJW-WDEREUQCSA-N 1 2 230.315 2.126 20 30 BEEDLO CC(C)(CCC#N)C[N@H+](CC#N)C1CC1 ZINC000352735445 534995283 /nfs/dbraw/zinc/99/52/83/534995283.db2.gz BVHHJTBLRZGNMH-UHFFFAOYSA-N 1 2 205.305 2.304 20 30 BEEDLO CC(C)(CCC#N)C[N@@H+](CC#N)C1CC1 ZINC000352735445 534995289 /nfs/dbraw/zinc/99/52/89/534995289.db2.gz BVHHJTBLRZGNMH-UHFFFAOYSA-N 1 2 205.305 2.304 20 30 BEEDLO CC[C@](C)(C#N)C(=O)Nc1cc[nH+]c(C)c1 ZINC000136272741 345494734 /nfs/dbraw/zinc/49/47/34/345494734.db2.gz CNSQJXYLDHKAQO-GFCCVEGCSA-N 1 2 217.272 2.268 20 30 BEEDLO Cc1nc2[nH]ccc2c(NCCCCC#N)[nH+]1 ZINC000080980181 345457495 /nfs/dbraw/zinc/45/74/95/345457495.db2.gz GLPZGGZDCAYDGQ-UHFFFAOYSA-N 1 2 229.287 2.372 20 30 BEEDLO CC[N@@H+](CCC#N)CCOc1ccccc1F ZINC000081054101 345460200 /nfs/dbraw/zinc/46/02/00/345460200.db2.gz PGZJEBKRFJLQCJ-UHFFFAOYSA-N 1 2 236.290 2.440 20 30 BEEDLO CC[N@H+](CCC#N)CCOc1ccccc1F ZINC000081054101 345460202 /nfs/dbraw/zinc/46/02/02/345460202.db2.gz PGZJEBKRFJLQCJ-UHFFFAOYSA-N 1 2 236.290 2.440 20 30 BEEDLO COc1ccsc1C[N@H+](C)[C@@H](C)CC#N ZINC000093090572 345656821 /nfs/dbraw/zinc/65/68/21/345656821.db2.gz UVFOOANHRAVTPE-VIFPVBQESA-N 1 2 224.329 2.491 20 30 BEEDLO COc1ccsc1C[N@@H+](C)[C@@H](C)CC#N ZINC000093090572 345656825 /nfs/dbraw/zinc/65/68/25/345656825.db2.gz UVFOOANHRAVTPE-VIFPVBQESA-N 1 2 224.329 2.491 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000609449209 346076123 /nfs/dbraw/zinc/07/61/23/346076123.db2.gz GTOOJLFFVAUYIE-SECBINFHSA-N 1 2 248.717 2.379 20 30 BEEDLO Cc1cccc(NC(=O)C[NH2+][C@H](C)CC#N)c1C ZINC000609449291 346076782 /nfs/dbraw/zinc/07/67/82/346076782.db2.gz WHBHQNKHWRNORI-LLVKDONJSA-N 1 2 245.326 2.134 20 30 BEEDLO Cc1cccc(NC(=O)C[NH2+][C@@H](C)CC#N)c1C ZINC000609449292 346076851 /nfs/dbraw/zinc/07/68/51/346076851.db2.gz WHBHQNKHWRNORI-NSHDSACASA-N 1 2 245.326 2.134 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000609449309 346076976 /nfs/dbraw/zinc/07/69/76/346076976.db2.gz ZNCTYCFMXMJOSL-GFCCVEGCSA-N 1 2 240.310 2.264 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635867186 346097793 /nfs/dbraw/zinc/09/77/93/346097793.db2.gz OIUUNANSWWOTFL-LBPRGKRZSA-N 1 2 247.342 2.082 20 30 BEEDLO C=CC[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC000051961308 346215739 /nfs/dbraw/zinc/21/57/39/346215739.db2.gz HNRPVRXBVBIDGF-UHFFFAOYSA-N 1 2 225.332 2.274 20 30 BEEDLO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(F)F ZINC000603428293 349950565 /nfs/dbraw/zinc/95/05/65/349950565.db2.gz GQTPKMVLOSMRHK-XHNCKOQMSA-N 1 2 202.248 2.312 20 30 BEEDLO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(F)F ZINC000603428291 349950649 /nfs/dbraw/zinc/95/06/49/349950649.db2.gz GQTPKMVLOSMRHK-CIUDSAMLSA-N 1 2 202.248 2.312 20 30 BEEDLO Cc1cc(N)nc(SCC2(CC#N)CC2)[nH+]1 ZINC000148601039 346350082 /nfs/dbraw/zinc/35/00/82/346350082.db2.gz PKHNATMQRGLCAB-UHFFFAOYSA-N 1 2 234.328 2.153 20 30 BEEDLO Cc1cccc(CCNc2cccc(C#N)n2)[nH+]1 ZINC000359838034 179061528 /nfs/dbraw/zinc/06/15/28/179061528.db2.gz OUQWFFMHJFYHCA-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO Oc1ccccc1/C=[NH+]/[C@H]1CCCOCC1 ZINC000182699376 347102517 /nfs/dbraw/zinc/10/25/17/347102517.db2.gz MYPJHIHSYQQICL-LQELWAHVSA-N 1 2 219.284 2.380 20 30 BEEDLO Cc1nc(C)c(C[N@@H+](CCC#N)C(C)C)o1 ZINC000589254821 346678829 /nfs/dbraw/zinc/67/88/29/346678829.db2.gz AHXZSXNLHDMVCL-UHFFFAOYSA-N 1 2 221.304 2.416 20 30 BEEDLO Cc1nc(C)c(C[N@H+](CCC#N)C(C)C)o1 ZINC000589254821 346678834 /nfs/dbraw/zinc/67/88/34/346678834.db2.gz AHXZSXNLHDMVCL-UHFFFAOYSA-N 1 2 221.304 2.416 20 30 BEEDLO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000589991007 346760129 /nfs/dbraw/zinc/76/01/29/346760129.db2.gz SXVJRJSODRKFMK-JSGCOSHPSA-N 1 2 244.342 2.472 20 30 BEEDLO Cc1cnc([C@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000589991007 346760133 /nfs/dbraw/zinc/76/01/33/346760133.db2.gz SXVJRJSODRKFMK-JSGCOSHPSA-N 1 2 244.342 2.472 20 30 BEEDLO Cc1nc(C)c(C[N@@H+](C)CC(C)(C)C#N)o1 ZINC000590124128 346777688 /nfs/dbraw/zinc/77/76/88/346777688.db2.gz DBFAONDJHNTCEL-UHFFFAOYSA-N 1 2 221.304 2.273 20 30 BEEDLO Cc1nc(C)c(C[N@H+](C)CC(C)(C)C#N)o1 ZINC000590124128 346777691 /nfs/dbraw/zinc/77/76/91/346777691.db2.gz DBFAONDJHNTCEL-UHFFFAOYSA-N 1 2 221.304 2.273 20 30 BEEDLO C=CC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000309562200 347103568 /nfs/dbraw/zinc/10/35/68/347103568.db2.gz JTPCVYOTVVUTBC-UHFFFAOYSA-N 1 2 229.230 2.162 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cnn(CC(C)C)c1 ZINC000184092684 347148531 /nfs/dbraw/zinc/14/85/31/347148531.db2.gz VVGKMMQJZVQYLL-ZDUSSCGKSA-N 1 2 234.347 2.321 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000491808211 347219346 /nfs/dbraw/zinc/21/93/46/347219346.db2.gz VPVMGXMFOHEVJP-LLVKDONJSA-N 1 2 241.294 2.190 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000491808211 347219348 /nfs/dbraw/zinc/21/93/48/347219348.db2.gz VPVMGXMFOHEVJP-LLVKDONJSA-N 1 2 241.294 2.190 20 30 BEEDLO C[C@@H](CCC#N)Sc1[nH+]cnc2c1cnn2C ZINC000188287590 347276355 /nfs/dbraw/zinc/27/63/55/347276355.db2.gz GBKLTHUZGCKTNC-QMMMGPOBSA-N 1 2 247.327 2.148 20 30 BEEDLO CC#CCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000364514746 347461390 /nfs/dbraw/zinc/46/13/90/347461390.db2.gz VKEBOYFUTZXZNC-GFCCVEGCSA-N 1 2 219.284 2.066 20 30 BEEDLO CC#CCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000364514746 347461392 /nfs/dbraw/zinc/46/13/92/347461392.db2.gz VKEBOYFUTZXZNC-GFCCVEGCSA-N 1 2 219.284 2.066 20 30 BEEDLO C=CCC[N@H+](CCC#N)Cc1ccccn1 ZINC000178390162 166261879 /nfs/dbraw/zinc/26/18/79/166261879.db2.gz PXXOCFNZTINBHT-UHFFFAOYSA-N 1 2 215.300 2.373 20 30 BEEDLO C=CCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000178390162 166261881 /nfs/dbraw/zinc/26/18/81/166261881.db2.gz PXXOCFNZTINBHT-UHFFFAOYSA-N 1 2 215.300 2.373 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000590760494 347523244 /nfs/dbraw/zinc/52/32/44/347523244.db2.gz CRXFCNRBAVYUQQ-LRDDRELGSA-N 1 2 241.400 2.021 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000590760494 347523248 /nfs/dbraw/zinc/52/32/48/347523248.db2.gz CRXFCNRBAVYUQQ-LRDDRELGSA-N 1 2 241.400 2.021 20 30 BEEDLO C=C[C@H]([NH2+]CC1(C2CCC2)CCC1)C(=O)OC ZINC000591376452 347650558 /nfs/dbraw/zinc/65/05/58/347650558.db2.gz HZNIHVQTSSUDQH-LBPRGKRZSA-N 1 2 237.343 2.274 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C1CC1)C(=O)OC ZINC000591377330 347650999 /nfs/dbraw/zinc/65/09/99/347650999.db2.gz LTHBDSKSRMRPBI-UPJWGTAASA-N 1 2 237.343 2.130 20 30 BEEDLO C=C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000591036870 347609376 /nfs/dbraw/zinc/60/93/76/347609376.db2.gz OKAISTUYTJJBKS-DCAQKATOSA-N 1 2 225.332 2.128 20 30 BEEDLO N#CCC[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000591734194 347693961 /nfs/dbraw/zinc/69/39/61/347693961.db2.gz DXHWJBWPCBMYNG-KGLIPLIRSA-N 1 2 230.311 2.410 20 30 BEEDLO Cc1cc(CNC(=O)CC2(C#N)CC2)cc(C)[nH+]1 ZINC000591515522 347670357 /nfs/dbraw/zinc/67/03/57/347670357.db2.gz SVNWVQLLLFUOSG-UHFFFAOYSA-N 1 2 243.310 2.009 20 30 BEEDLO C=CC[N@@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC000592160912 347746045 /nfs/dbraw/zinc/74/60/45/347746045.db2.gz CLHSPSXTWLAHND-UHFFFAOYSA-N 1 2 231.295 2.017 20 30 BEEDLO C=CC[N@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC000592160912 347746046 /nfs/dbraw/zinc/74/60/46/347746046.db2.gz CLHSPSXTWLAHND-UHFFFAOYSA-N 1 2 231.295 2.017 20 30 BEEDLO CC(C)Oc1cc[nH+]c(CN(C)C[C@H](C)C#N)c1 ZINC000593007143 347840743 /nfs/dbraw/zinc/84/07/43/347840743.db2.gz KSTOOFGUEHDTTH-GFCCVEGCSA-N 1 2 247.342 2.460 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C[C@@H]1F ZINC000593970928 347974816 /nfs/dbraw/zinc/97/48/16/347974816.db2.gz RFAOESAOYICRIH-MFKMUULPSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@@H]1F ZINC000593970928 347974820 /nfs/dbraw/zinc/97/48/20/347974820.db2.gz RFAOESAOYICRIH-MFKMUULPSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccc(Cl)cn1 ZINC000308645368 347983818 /nfs/dbraw/zinc/98/38/18/347983818.db2.gz HGBSRQFHBOGPBJ-MRVPVSSYSA-N 1 2 209.680 2.127 20 30 BEEDLO N#CCCCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000594029886 347992838 /nfs/dbraw/zinc/99/28/38/347992838.db2.gz IQWXOMAVVFADFC-UHFFFAOYSA-N 1 2 242.282 2.357 20 30 BEEDLO Cc1cc(N2CC3(CC3(F)F)C2)c(C#N)c[nH+]1 ZINC000594587851 348078057 /nfs/dbraw/zinc/07/80/57/348078057.db2.gz AHYPUDIBWSXGPR-UHFFFAOYSA-N 1 2 235.237 2.107 20 30 BEEDLO CCn1ccnc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981273 348164148 /nfs/dbraw/zinc/16/41/48/348164148.db2.gz NAOXLFCZTAZVLV-UHFFFAOYSA-N 1 2 246.358 2.467 20 30 BEEDLO CCn1cc[nH+]c1CNCC1(C#N)CCCCC1 ZINC000594981273 348164150 /nfs/dbraw/zinc/16/41/50/348164150.db2.gz NAOXLFCZTAZVLV-UHFFFAOYSA-N 1 2 246.358 2.467 20 30 BEEDLO COC[C@@H]1CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595329508 348227274 /nfs/dbraw/zinc/22/72/74/348227274.db2.gz GWZMPQUOBBTVGL-OCCSQVGLSA-N 1 2 230.311 2.220 20 30 BEEDLO COC[C@@H]1CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595329508 348227278 /nfs/dbraw/zinc/22/72/78/348227278.db2.gz GWZMPQUOBBTVGL-OCCSQVGLSA-N 1 2 230.311 2.220 20 30 BEEDLO N#CC1(C[NH2+][C@@H]2CCn3ccnc32)CCCCC1 ZINC000595090676 348190974 /nfs/dbraw/zinc/19/09/74/348190974.db2.gz KTIAZRDUZZFJSB-GFCCVEGCSA-N 1 2 244.342 2.392 20 30 BEEDLO CN(Cc1[nH+]ccn1C)[C@H](C#N)c1ccccc1 ZINC000595398318 348238357 /nfs/dbraw/zinc/23/83/57/348238357.db2.gz PCISVVNFUBATSN-CYBMUJFWSA-N 1 2 240.310 2.117 20 30 BEEDLO N#Cc1ccc(CC[N@H+]2CCC(F)(F)C2)cc1 ZINC000595422541 348245556 /nfs/dbraw/zinc/24/55/56/348245556.db2.gz IAVFNUHYYODJCT-UHFFFAOYSA-N 1 2 236.265 2.442 20 30 BEEDLO N#Cc1ccc(CC[N@@H+]2CCC(F)(F)C2)cc1 ZINC000595422541 348245558 /nfs/dbraw/zinc/24/55/58/348245558.db2.gz IAVFNUHYYODJCT-UHFFFAOYSA-N 1 2 236.265 2.442 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H](CC(C)C)OC ZINC000419290495 192118016 /nfs/dbraw/zinc/11/80/16/192118016.db2.gz YXOBESWHQZDIFF-ZDUSSCGKSA-N 1 2 224.348 2.449 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H](CC(C)C)OC ZINC000419290495 192118018 /nfs/dbraw/zinc/11/80/18/192118018.db2.gz YXOBESWHQZDIFF-ZDUSSCGKSA-N 1 2 224.348 2.449 20 30 BEEDLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595613297 348288225 /nfs/dbraw/zinc/28/82/25/348288225.db2.gz ACWALERPRBTFFZ-KOLCDFICSA-N 1 2 234.303 2.065 20 30 BEEDLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595613297 348288227 /nfs/dbraw/zinc/28/82/27/348288227.db2.gz ACWALERPRBTFFZ-KOLCDFICSA-N 1 2 234.303 2.065 20 30 BEEDLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595613303 348288356 /nfs/dbraw/zinc/28/83/56/348288356.db2.gz AIXTYQYBMLFDOJ-WDEREUQCSA-N 1 2 248.330 2.319 20 30 BEEDLO CCc1nnc([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595613303 348288357 /nfs/dbraw/zinc/28/83/57/348288357.db2.gz AIXTYQYBMLFDOJ-WDEREUQCSA-N 1 2 248.330 2.319 20 30 BEEDLO N#CC[C@@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000595622862 348290905 /nfs/dbraw/zinc/29/09/05/348290905.db2.gz FCUMINJUXRGTPQ-LBPRGKRZSA-N 1 2 240.310 2.079 20 30 BEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000595622862 348290908 /nfs/dbraw/zinc/29/09/08/348290908.db2.gz FCUMINJUXRGTPQ-LBPRGKRZSA-N 1 2 240.310 2.079 20 30 BEEDLO CC#CC[N@@H+](CC)[C@@H](C)C(=O)OC(C)(C)C ZINC000595601483 348295886 /nfs/dbraw/zinc/29/58/86/348295886.db2.gz PNDQBJRXTWJAAQ-NSHDSACASA-N 1 2 225.332 2.062 20 30 BEEDLO CC#CC[N@H+](CC)[C@@H](C)C(=O)OC(C)(C)C ZINC000595601483 348295889 /nfs/dbraw/zinc/29/58/89/348295889.db2.gz PNDQBJRXTWJAAQ-NSHDSACASA-N 1 2 225.332 2.062 20 30 BEEDLO C[C@@H](C#N)[N@H+](C[C@H]1CCO[C@H](C)C1)C1CC1 ZINC000595709918 348321311 /nfs/dbraw/zinc/32/13/11/348321311.db2.gz KJXSRNJDNCYFTA-TUAOUCFPSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@@H](C#N)[N@@H+](C[C@H]1CCO[C@H](C)C1)C1CC1 ZINC000595709918 348321314 /nfs/dbraw/zinc/32/13/14/348321314.db2.gz KJXSRNJDNCYFTA-TUAOUCFPSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cscn1 ZINC000595669726 348304078 /nfs/dbraw/zinc/30/40/78/348304078.db2.gz ZAAMORFXZVXPBC-QMMMGPOBSA-N 1 2 207.302 2.097 20 30 BEEDLO C[C@H](C#N)[N@H+](CC[C@@H]1CCCCO1)C1CC1 ZINC000595710763 348323413 /nfs/dbraw/zinc/32/34/13/348323413.db2.gz RATXZFXBMSPRAJ-YPMHNXCESA-N 1 2 222.332 2.322 20 30 BEEDLO C[C@H](C#N)[N@@H+](CC[C@@H]1CCCCO1)C1CC1 ZINC000595710763 348323415 /nfs/dbraw/zinc/32/34/15/348323415.db2.gz RATXZFXBMSPRAJ-YPMHNXCESA-N 1 2 222.332 2.322 20 30 BEEDLO C[C@H](C#N)[N@H+](CC[C@H]1CCCCO1)C1CC1 ZINC000595710761 348323507 /nfs/dbraw/zinc/32/35/07/348323507.db2.gz RATXZFXBMSPRAJ-DGCLKSJQSA-N 1 2 222.332 2.322 20 30 BEEDLO C[C@H](C#N)[N@@H+](CC[C@H]1CCCCO1)C1CC1 ZINC000595710761 348323509 /nfs/dbraw/zinc/32/35/09/348323509.db2.gz RATXZFXBMSPRAJ-DGCLKSJQSA-N 1 2 222.332 2.322 20 30 BEEDLO C[C@@H](C#N)[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000595711295 348323918 /nfs/dbraw/zinc/32/39/18/348323918.db2.gz XRFKAAIFIIBJQX-YFKTTZPYSA-N 1 2 204.317 2.409 20 30 BEEDLO C[C@@H](C#N)[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000595711295 348323920 /nfs/dbraw/zinc/32/39/20/348323920.db2.gz XRFKAAIFIIBJQX-YFKTTZPYSA-N 1 2 204.317 2.409 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000595833990 348367470 /nfs/dbraw/zinc/36/74/70/348367470.db2.gz JGKRBUFBTSTHID-ZDUSSCGKSA-N 1 2 245.282 2.330 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000595833990 348367474 /nfs/dbraw/zinc/36/74/74/348367474.db2.gz JGKRBUFBTSTHID-ZDUSSCGKSA-N 1 2 245.282 2.330 20 30 BEEDLO CC(C)n1cc[nH+]c1CN1CC[C@](C)(C#N)C1 ZINC000595837549 348371203 /nfs/dbraw/zinc/37/12/03/348371203.db2.gz IXYXCJWQSNEEPP-CYBMUJFWSA-N 1 2 232.331 2.200 20 30 BEEDLO C[C@H](c1ccccn1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840339 348374312 /nfs/dbraw/zinc/37/43/12/348374312.db2.gz NTAVHSOQZGHXPD-YPMHNXCESA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1ccccn1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840339 348374315 /nfs/dbraw/zinc/37/43/15/348374315.db2.gz NTAVHSOQZGHXPD-YPMHNXCESA-N 1 2 215.300 2.378 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595840787 348375353 /nfs/dbraw/zinc/37/53/53/348375353.db2.gz FLWRYDIBRNEIRD-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595840787 348375354 /nfs/dbraw/zinc/37/53/54/348375354.db2.gz FLWRYDIBRNEIRD-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ncsc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840840 348375389 /nfs/dbraw/zinc/37/53/89/348375389.db2.gz GKBSCFHJVBJQON-LLVKDONJSA-N 1 2 221.329 2.187 20 30 BEEDLO Cc1ncsc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840840 348375390 /nfs/dbraw/zinc/37/53/90/348375390.db2.gz GKBSCFHJVBJQON-LLVKDONJSA-N 1 2 221.329 2.187 20 30 BEEDLO CCc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)nc1 ZINC000595840796 348375535 /nfs/dbraw/zinc/37/55/35/348375535.db2.gz FMSRTEQXNXUMTJ-AWEZNQCLSA-N 1 2 229.327 2.380 20 30 BEEDLO CCc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)nc1 ZINC000595840796 348375536 /nfs/dbraw/zinc/37/55/36/348375536.db2.gz FMSRTEQXNXUMTJ-AWEZNQCLSA-N 1 2 229.327 2.380 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)c(C)n1 ZINC000595844873 348354509 /nfs/dbraw/zinc/35/45/09/348354509.db2.gz WNVWOYAOHHWUQS-CQSZACIVSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(C)n1 ZINC000595844873 348354511 /nfs/dbraw/zinc/35/45/11/348354511.db2.gz WNVWOYAOHHWUQS-CQSZACIVSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cccnc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595845088 348354568 /nfs/dbraw/zinc/35/45/68/348354568.db2.gz YPIGNCPZYKBHFN-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cccnc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595845088 348354571 /nfs/dbraw/zinc/35/45/71/348354571.db2.gz YPIGNCPZYKBHFN-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO CCOC1CC(C[N@H+](CC)[C@@H](C)C#N)C1 ZINC000595819480 348359274 /nfs/dbraw/zinc/35/92/74/348359274.db2.gz BMSDJOMIKKHXBC-UNXYVOJBSA-N 1 2 210.321 2.035 20 30 BEEDLO CCOC1CC(C[N@@H+](CC)[C@@H](C)C#N)C1 ZINC000595819480 348359278 /nfs/dbraw/zinc/35/92/78/348359278.db2.gz BMSDJOMIKKHXBC-UNXYVOJBSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@H+](CCC[C@@H]1CCOC1)[C@H](C)C#N ZINC000595818951 348359678 /nfs/dbraw/zinc/35/96/78/348359678.db2.gz QIGHKPZBLMAKMO-VXGBXAGGSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[N@@H+](CCC[C@@H]1CCOC1)[C@H](C)C#N ZINC000595818951 348359679 /nfs/dbraw/zinc/35/96/79/348359679.db2.gz QIGHKPZBLMAKMO-VXGBXAGGSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[N@H+](C[C@H](O)[C@@H](C)c1ccccc1)[C@H](C)C#N ZINC000595818918 348359694 /nfs/dbraw/zinc/35/96/94/348359694.db2.gz PTSKIMVTRIYPOJ-IPYPFGDCSA-N 1 2 246.354 2.385 20 30 BEEDLO CC[N@@H+](C[C@H](O)[C@@H](C)c1ccccc1)[C@H](C)C#N ZINC000595818918 348359695 /nfs/dbraw/zinc/35/96/95/348359695.db2.gz PTSKIMVTRIYPOJ-IPYPFGDCSA-N 1 2 246.354 2.385 20 30 BEEDLO CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)[C@@H](C)C#N ZINC000595819780 348360389 /nfs/dbraw/zinc/36/03/89/348360389.db2.gz DVEBBWMZAFKNKY-SDDRHHMPSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)[C@@H](C)C#N ZINC000595819780 348360391 /nfs/dbraw/zinc/36/03/91/348360391.db2.gz DVEBBWMZAFKNKY-SDDRHHMPSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@H+](C[C@H](O)CCc1ccccc1)[C@@H](C)C#N ZINC000595821359 348363192 /nfs/dbraw/zinc/36/31/92/348363192.db2.gz USRZAFXNVPLAFO-DZGCQCFKSA-N 1 2 246.354 2.214 20 30 BEEDLO CC[N@@H+](C[C@H](O)CCc1ccccc1)[C@@H](C)C#N ZINC000595821359 348363193 /nfs/dbraw/zinc/36/31/93/348363193.db2.gz USRZAFXNVPLAFO-DZGCQCFKSA-N 1 2 246.354 2.214 20 30 BEEDLO Cc1cc[nH+]cc1NCc1nc(C#N)cs1 ZINC000309722573 179495619 /nfs/dbraw/zinc/49/56/19/179495619.db2.gz WMLSZGKZTGUUCC-UHFFFAOYSA-N 1 2 230.296 2.330 20 30 BEEDLO N#CCC1C[NH+](Cc2cccc(F)c2)C1 ZINC000597191359 348670620 /nfs/dbraw/zinc/67/06/20/348670620.db2.gz FGVBIQIZLQKHPZ-UHFFFAOYSA-N 1 2 204.248 2.171 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(F)c(F)c1F ZINC000597082436 348658615 /nfs/dbraw/zinc/65/86/15/348658615.db2.gz JVQGPXLDCSWBFU-ZETCQYMHSA-N 1 2 228.217 2.353 20 30 BEEDLO Cc1ccoc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597228653 348696863 /nfs/dbraw/zinc/69/68/63/348696863.db2.gz FNWKVTLNXMONNB-GFCCVEGCSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1ccoc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597228653 348696864 /nfs/dbraw/zinc/69/68/64/348696864.db2.gz FNWKVTLNXMONNB-GFCCVEGCSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1occc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230018 348697502 /nfs/dbraw/zinc/69/75/02/348697502.db2.gz DSLRXXCHNCOWFV-GFCCVEGCSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1occc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597230018 348697505 /nfs/dbraw/zinc/69/75/05/348697505.db2.gz DSLRXXCHNCOWFV-GFCCVEGCSA-N 1 2 204.273 2.324 20 30 BEEDLO CCCn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597230090 348697801 /nfs/dbraw/zinc/69/78/01/348697801.db2.gz PGOHPQPSAUTVHR-CYBMUJFWSA-N 1 2 232.331 2.029 20 30 BEEDLO CCCn1cc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597230090 348697803 /nfs/dbraw/zinc/69/78/03/348697803.db2.gz PGOHPQPSAUTVHR-CYBMUJFWSA-N 1 2 232.331 2.029 20 30 BEEDLO CC(C)n1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597230092 348697884 /nfs/dbraw/zinc/69/78/84/348697884.db2.gz PHBIMPAVGQREPC-CYBMUJFWSA-N 1 2 232.331 2.200 20 30 BEEDLO CC(C)n1cc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000597230092 348697886 /nfs/dbraw/zinc/69/78/86/348697886.db2.gz PHBIMPAVGQREPC-CYBMUJFWSA-N 1 2 232.331 2.200 20 30 BEEDLO CC(C)n1c[nH+]cc1CN1CC[C@](C)(C#N)C1 ZINC000597231390 348699505 /nfs/dbraw/zinc/69/95/05/348699505.db2.gz NBHKFFAVRRIJEP-CYBMUJFWSA-N 1 2 232.331 2.200 20 30 BEEDLO CC(C)[N@H+](CC(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598591705 348997484 /nfs/dbraw/zinc/99/74/84/348997484.db2.gz AEFAVUOPIAGAAA-SNVBAGLBSA-N 1 2 248.317 2.263 20 30 BEEDLO CC(C)[N@@H+](CC(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598591705 348997488 /nfs/dbraw/zinc/99/74/88/348997488.db2.gz AEFAVUOPIAGAAA-SNVBAGLBSA-N 1 2 248.317 2.263 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)CC#N ZINC000598848634 349048335 /nfs/dbraw/zinc/04/83/35/349048335.db2.gz XETZCFNLMVAKLO-SECBINFHSA-N 1 2 217.272 2.187 20 30 BEEDLO CCC(F)(F)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000599069380 349087378 /nfs/dbraw/zinc/08/73/78/349087378.db2.gz YDIYKKCIZXEOGN-DTWKUNHWSA-N 1 2 202.248 2.314 20 30 BEEDLO Cc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1C#N ZINC000599293517 349148889 /nfs/dbraw/zinc/14/88/89/349148889.db2.gz XUKSSXKAPHJNPK-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1C#N ZINC000599293517 349148892 /nfs/dbraw/zinc/14/88/92/349148892.db2.gz XUKSSXKAPHJNPK-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1ccc(C[N@H+](C)Cc2ccon2)cc1C#N ZINC000599296598 349150305 /nfs/dbraw/zinc/15/03/05/349150305.db2.gz CNYDYXCWOUOLSS-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1ccc(C[N@@H+](C)Cc2ccon2)cc1C#N ZINC000599296598 349150310 /nfs/dbraw/zinc/15/03/10/349150310.db2.gz CNYDYXCWOUOLSS-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1ccc(C[N@H+](C)CCC#N)cc1C#N ZINC000599306271 349143132 /nfs/dbraw/zinc/14/31/32/349143132.db2.gz DQSBPYORKXTNPA-UHFFFAOYSA-N 1 2 213.284 2.212 20 30 BEEDLO Cc1ccc(C[N@@H+](C)CCC#N)cc1C#N ZINC000599306271 349143135 /nfs/dbraw/zinc/14/31/35/349143135.db2.gz DQSBPYORKXTNPA-UHFFFAOYSA-N 1 2 213.284 2.212 20 30 BEEDLO CC1(C)CC(C[N@@H+]2CC[C@](F)(C#N)C2)C1 ZINC000599385504 349160863 /nfs/dbraw/zinc/16/08/63/349160863.db2.gz QIGWLVSCFYIGQT-LBPRGKRZSA-N 1 2 210.296 2.360 20 30 BEEDLO CC1(C)CC(C[N@H+]2CC[C@](F)(C#N)C2)C1 ZINC000599385504 349160865 /nfs/dbraw/zinc/16/08/65/349160865.db2.gz QIGWLVSCFYIGQT-LBPRGKRZSA-N 1 2 210.296 2.360 20 30 BEEDLO CC#CC[NH2+][C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599557269 349217245 /nfs/dbraw/zinc/21/72/45/349217245.db2.gz BBKDHLGUGLSHDB-AWEZNQCLSA-N 1 2 237.343 2.111 20 30 BEEDLO CC#CC[N@@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000599493915 349204396 /nfs/dbraw/zinc/20/43/96/349204396.db2.gz CVEXMFXYCQJNJT-CQSZACIVSA-N 1 2 237.343 2.206 20 30 BEEDLO CC#CC[N@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000599493915 349204399 /nfs/dbraw/zinc/20/43/99/349204399.db2.gz CVEXMFXYCQJNJT-CQSZACIVSA-N 1 2 237.343 2.206 20 30 BEEDLO C[C@H]1C[NH+](CCC#N)C[C@H](C)C1(F)F ZINC000599514216 349204779 /nfs/dbraw/zinc/20/47/79/349204779.db2.gz VMQVYPCXUVOWOR-IUCAKERBSA-N 1 2 202.248 2.123 20 30 BEEDLO CCC(C#N)(CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000599713906 349251379 /nfs/dbraw/zinc/25/13/79/349251379.db2.gz GMEHVCHJFLTQEL-UHFFFAOYSA-N 1 2 245.326 2.389 20 30 BEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(F)c1F ZINC000601941012 349392680 /nfs/dbraw/zinc/39/26/80/349392680.db2.gz NDKUFXUSPBRQEN-JTQLQIEISA-N 1 2 249.264 2.498 20 30 BEEDLO C[C@@H]1C[NH+](Cc2cccc(C#N)c2F)C[C@@H](C)O1 ZINC000219508119 350129610 /nfs/dbraw/zinc/12/96/10/350129610.db2.gz XWGAZPWCTQOFKS-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@H](C)O1 ZINC000219508201 350129479 /nfs/dbraw/zinc/12/94/79/350129479.db2.gz XWGAZPWCTQOFKS-PHIMTYICSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@H](C)O1 ZINC000219508201 350129481 /nfs/dbraw/zinc/12/94/81/350129481.db2.gz XWGAZPWCTQOFKS-PHIMTYICSA-N 1 2 248.301 2.307 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1csc(C)c1 ZINC000309279719 350252500 /nfs/dbraw/zinc/25/25/00/350252500.db2.gz HOBIZKJPFSRNHZ-UHFFFAOYSA-N 1 2 238.356 2.419 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1csc(C)c1 ZINC000309279719 350252501 /nfs/dbraw/zinc/25/25/01/350252501.db2.gz HOBIZKJPFSRNHZ-UHFFFAOYSA-N 1 2 238.356 2.419 20 30 BEEDLO C=CCC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000606897056 350621599 /nfs/dbraw/zinc/62/15/99/350621599.db2.gz KFQZJMBRKFPCBE-LLVKDONJSA-N 1 2 221.304 2.481 20 30 BEEDLO C=CCC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000606897056 350621601 /nfs/dbraw/zinc/62/16/01/350621601.db2.gz KFQZJMBRKFPCBE-LLVKDONJSA-N 1 2 221.304 2.481 20 30 BEEDLO C=CC[C@H]1CCCC[C@@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000631349919 350631866 /nfs/dbraw/zinc/63/18/66/350631866.db2.gz PDONWUUZVOILPJ-QWRGUYRKSA-N 1 2 247.346 2.139 20 30 BEEDLO C=CC[C@H]1CCCC[C@@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000631349919 350631868 /nfs/dbraw/zinc/63/18/68/350631868.db2.gz PDONWUUZVOILPJ-QWRGUYRKSA-N 1 2 247.346 2.139 20 30 BEEDLO C=CC[C@H]1CCCC[C@H]1Nc1nc(C)[nH+]c(N)n1 ZINC000631349920 350631983 /nfs/dbraw/zinc/63/19/83/350631983.db2.gz PDONWUUZVOILPJ-WDEREUQCSA-N 1 2 247.346 2.139 20 30 BEEDLO C=CC[C@H]1CCCC[C@H]1Nc1nc(N)nc(C)[nH+]1 ZINC000631349920 350631986 /nfs/dbraw/zinc/63/19/86/350631986.db2.gz PDONWUUZVOILPJ-WDEREUQCSA-N 1 2 247.346 2.139 20 30 BEEDLO C=CC[N@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356414728 350767910 /nfs/dbraw/zinc/76/79/10/350767910.db2.gz OCSXMRHAWDDUEK-UHFFFAOYSA-N 1 2 219.313 2.165 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356414728 350767912 /nfs/dbraw/zinc/76/79/12/350767912.db2.gz OCSXMRHAWDDUEK-UHFFFAOYSA-N 1 2 219.313 2.165 20 30 BEEDLO CC[N@@H+](Cc1ccc(N(C)C)nc1)C[C@H](C)C#N ZINC000120525142 350934272 /nfs/dbraw/zinc/93/42/72/350934272.db2.gz REYRGBDZNROKMP-GFCCVEGCSA-N 1 2 246.358 2.129 20 30 BEEDLO CC[N@H+](Cc1ccc(N(C)C)nc1)C[C@H](C)C#N ZINC000120525142 350934274 /nfs/dbraw/zinc/93/42/74/350934274.db2.gz REYRGBDZNROKMP-GFCCVEGCSA-N 1 2 246.358 2.129 20 30 BEEDLO CCOc1ccccc1C[N@H+](C)CCC#N ZINC000052870171 351074464 /nfs/dbraw/zinc/07/44/64/351074464.db2.gz LXBHXHBPKVUBCU-UHFFFAOYSA-N 1 2 218.300 2.431 20 30 BEEDLO CCOc1ccccc1C[N@@H+](C)CCC#N ZINC000052870171 351074467 /nfs/dbraw/zinc/07/44/67/351074467.db2.gz LXBHXHBPKVUBCU-UHFFFAOYSA-N 1 2 218.300 2.431 20 30 BEEDLO Cn1c[nH+]cc1CNc1ccc(F)c(C#N)c1 ZINC000090167172 363018642 /nfs/dbraw/zinc/01/86/42/363018642.db2.gz QTKWIBXDHUQDOF-UHFFFAOYSA-N 1 2 230.246 2.043 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnn(C(C)C)c1 ZINC000271031249 351395431 /nfs/dbraw/zinc/39/54/31/351395431.db2.gz HHNOREOGXUWPBD-UHFFFAOYSA-N 1 2 220.320 2.200 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnn(C(C)C)c1 ZINC000271031249 351395435 /nfs/dbraw/zinc/39/54/35/351395435.db2.gz HHNOREOGXUWPBD-UHFFFAOYSA-N 1 2 220.320 2.200 20 30 BEEDLO CCN(CC#N)Cc1c[nH+]c2ccc(Cl)cn12 ZINC000271117139 351402599 /nfs/dbraw/zinc/40/25/99/351402599.db2.gz CFYGLIVBRZKASX-UHFFFAOYSA-N 1 2 248.717 2.333 20 30 BEEDLO Cc1ccc(Cc2noc(C(C)(C)C#N)n2)c[nH+]1 ZINC000274021826 351557606 /nfs/dbraw/zinc/55/76/06/351557606.db2.gz XKDNFWGRBROHTE-UHFFFAOYSA-N 1 2 242.282 2.165 20 30 BEEDLO C[C@@H](/[NH+]=C/c1ccccc1O)[C@H]1CCOC1 ZINC000281039508 351872900 /nfs/dbraw/zinc/87/29/00/351872900.db2.gz PGNHAEGWARCDMR-DEUJPTSVSA-N 1 2 219.284 2.236 20 30 BEEDLO Cc1nn(C(C)C)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000281507373 351895370 /nfs/dbraw/zinc/89/53/70/351895370.db2.gz HCRNGQQXSHQTOV-NSHDSACASA-N 1 2 234.347 2.364 20 30 BEEDLO Cc1nn(C(C)C)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000281507373 351895373 /nfs/dbraw/zinc/89/53/73/351895373.db2.gz HCRNGQQXSHQTOV-NSHDSACASA-N 1 2 234.347 2.364 20 30 BEEDLO CCc1ccccc1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283988798 351988930 /nfs/dbraw/zinc/98/89/30/351988930.db2.gz GWXHOXAMNVHASU-ZDUSSCGKSA-N 1 2 248.326 2.217 20 30 BEEDLO CC[C@](C)(C#N)C(=O)Nc1cccc2[nH+]ccn21 ZINC000288492726 352153310 /nfs/dbraw/zinc/15/33/10/352153310.db2.gz HKUNATULRIJQAZ-CYBMUJFWSA-N 1 2 242.282 2.213 20 30 BEEDLO CC(C)=CCO[NH+]=C(N)COc1ccccc1 ZINC000288648918 352159967 /nfs/dbraw/zinc/15/99/67/352159967.db2.gz QTFBWXZAEPFDAR-UHFFFAOYSA-N 1 2 234.299 2.320 20 30 BEEDLO Cc1cc(C)c(C[NH+]2CC(O)(CC#N)C2)c(C)c1 ZINC000191917470 363174530 /nfs/dbraw/zinc/17/45/30/363174530.db2.gz MRBAAMRRVAMNGB-UHFFFAOYSA-N 1 2 244.338 2.072 20 30 BEEDLO CC(C)CCN(CCC#N)Cc1cn(C)c[nH+]1 ZINC000618904948 352341269 /nfs/dbraw/zinc/34/12/69/352341269.db2.gz NYJWWFGEBXANPM-UHFFFAOYSA-N 1 2 234.347 2.182 20 30 BEEDLO N#Cc1ccccc1C[NH+]1CCC(C#N)CC1 ZINC000057906355 352369912 /nfs/dbraw/zinc/36/99/12/352369912.db2.gz JHTNLEHSQDMNGN-UHFFFAOYSA-N 1 2 225.295 2.294 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1sccc1C ZINC000093100035 352379531 /nfs/dbraw/zinc/37/95/31/352379531.db2.gz PZZLFDYTGCGBOG-UHFFFAOYSA-N 1 2 238.356 2.419 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1sccc1C ZINC000093100035 352379535 /nfs/dbraw/zinc/37/95/35/352379535.db2.gz PZZLFDYTGCGBOG-UHFFFAOYSA-N 1 2 238.356 2.419 20 30 BEEDLO COC(=O)[C@@H](C)[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000411389374 191183179 /nfs/dbraw/zinc/18/31/79/191183179.db2.gz MDEYTUCQNWUFBV-WCQYABFASA-N 1 2 246.310 2.040 20 30 BEEDLO C[C@H](CCC#N)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000411633353 191200367 /nfs/dbraw/zinc/20/03/67/191200367.db2.gz IYKHHNIWLBSITE-GFCCVEGCSA-N 1 2 246.358 2.343 20 30 BEEDLO CC#CCN(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000297122244 352466566 /nfs/dbraw/zinc/46/65/66/352466566.db2.gz RSULBGSZVVFBJU-UHFFFAOYSA-N 1 2 231.299 2.185 20 30 BEEDLO C=CC[N@H+](Cc1ncnn1CC(C)C)C1CC1 ZINC000272466565 166348036 /nfs/dbraw/zinc/34/80/36/166348036.db2.gz KXJCOFCJEGVKIX-UHFFFAOYSA-N 1 2 234.347 2.085 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nc(CCC)no1 ZINC000042623716 352623716 /nfs/dbraw/zinc/62/37/16/352623716.db2.gz YFAOKVRXHBBUNK-UHFFFAOYSA-N 1 2 223.320 2.420 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nc(CCC)no1 ZINC000042623716 352623718 /nfs/dbraw/zinc/62/37/18/352623718.db2.gz YFAOKVRXHBBUNK-UHFFFAOYSA-N 1 2 223.320 2.420 20 30 BEEDLO N#CCC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000334285508 352925853 /nfs/dbraw/zinc/92/58/53/352925853.db2.gz WUBQFPLHIFZVDZ-UHFFFAOYSA-N 1 2 233.290 2.256 20 30 BEEDLO N#CCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062706038 188013225 /nfs/dbraw/zinc/01/32/25/188013225.db2.gz ZAYSOYHHSURTQT-UHFFFAOYSA-N 1 2 214.190 2.107 20 30 BEEDLO Cc1cnc([C@@H](C)[NH2+]CC2(C#N)CC2)s1 ZINC000336761208 353174412 /nfs/dbraw/zinc/17/44/12/353174412.db2.gz NCERLTJTPRSZCM-SECBINFHSA-N 1 2 221.329 2.406 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000331271113 353232886 /nfs/dbraw/zinc/23/28/86/353232886.db2.gz LEOGMQHKKQFYKE-SSDOTTSWSA-N 1 2 246.236 2.210 20 30 BEEDLO CCc1noc(C)c1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331355867 353245879 /nfs/dbraw/zinc/24/58/79/353245879.db2.gz REHBEUOCQITTFB-GXFFZTMASA-N 1 2 233.315 2.327 20 30 BEEDLO C#CC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126405127 353250138 /nfs/dbraw/zinc/25/01/38/353250138.db2.gz ZVVLKXMJTVYIBY-CQSZACIVSA-N 1 2 215.296 2.002 20 30 BEEDLO C#CC[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126405127 353250139 /nfs/dbraw/zinc/25/01/39/353250139.db2.gz ZVVLKXMJTVYIBY-CQSZACIVSA-N 1 2 215.296 2.002 20 30 BEEDLO CC(C)n1ccnc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000331303856 353243097 /nfs/dbraw/zinc/24/30/97/353243097.db2.gz ANAYPAHYEJSTED-RYUDHWBXSA-N 1 2 232.331 2.246 20 30 BEEDLO CC(C)n1cc[nH+]c1CN[C@H]1CCC[C@H]1C#N ZINC000331303856 353243099 /nfs/dbraw/zinc/24/30/99/353243099.db2.gz ANAYPAHYEJSTED-RYUDHWBXSA-N 1 2 232.331 2.246 20 30 BEEDLO C=CC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000121624227 324018096 /nfs/dbraw/zinc/01/80/96/324018096.db2.gz ZLJAFGKBENIZRV-UHFFFAOYSA-N 1 2 204.248 2.315 20 30 BEEDLO C=CC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000121624227 324018098 /nfs/dbraw/zinc/01/80/98/324018098.db2.gz ZLJAFGKBENIZRV-UHFFFAOYSA-N 1 2 204.248 2.315 20 30 BEEDLO C=C(C)CCSc1nc(N)cc(C)[nH+]1 ZINC000167998220 188233051 /nfs/dbraw/zinc/23/30/51/188233051.db2.gz XTOGNCCQEJQLFZ-UHFFFAOYSA-N 1 2 209.318 2.426 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cn2ccccc2c1C#N ZINC000266949935 188260740 /nfs/dbraw/zinc/26/07/40/188260740.db2.gz UAPWFLIDWQNADF-UHFFFAOYSA-N 1 2 237.306 2.266 20 30 BEEDLO C#CC[N@H+](CC)Cc1cn2ccccc2c1C#N ZINC000266949935 188260742 /nfs/dbraw/zinc/26/07/42/188260742.db2.gz UAPWFLIDWQNADF-UHFFFAOYSA-N 1 2 237.306 2.266 20 30 BEEDLO C=CCC(CC=C)C(=O)NCc1[nH]c[nH+]c1C ZINC000268172493 188261318 /nfs/dbraw/zinc/26/13/18/188261318.db2.gz GWJOFLSXIKGTNZ-UHFFFAOYSA-N 1 2 233.315 2.103 20 30 BEEDLO C#CC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000267001180 188260420 /nfs/dbraw/zinc/26/04/20/188260420.db2.gz CXFBTNBIGFPLQZ-UHFFFAOYSA-N 1 2 220.341 2.087 20 30 BEEDLO C#CC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000267001180 188260422 /nfs/dbraw/zinc/26/04/22/188260422.db2.gz CXFBTNBIGFPLQZ-UHFFFAOYSA-N 1 2 220.341 2.087 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000129414172 353317869 /nfs/dbraw/zinc/31/78/69/353317869.db2.gz ZMXQMFNTMILUSY-CYBMUJFWSA-N 1 2 237.730 2.331 20 30 BEEDLO C=C(Cl)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000129414172 353317873 /nfs/dbraw/zinc/31/78/73/353317873.db2.gz ZMXQMFNTMILUSY-CYBMUJFWSA-N 1 2 237.730 2.331 20 30 BEEDLO CC#CCCCC(=O)OCc1c[nH+]ccc1OC ZINC000287334846 353575888 /nfs/dbraw/zinc/57/58/88/353575888.db2.gz YGHCJIUQJMJHLN-UHFFFAOYSA-N 1 2 247.294 2.327 20 30 BEEDLO C=CC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000287556231 353579553 /nfs/dbraw/zinc/57/95/53/353579553.db2.gz WRTRBHLSUSAUDK-NSHDSACASA-N 1 2 246.358 2.498 20 30 BEEDLO C=CC[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000287556231 353579556 /nfs/dbraw/zinc/57/95/56/353579556.db2.gz WRTRBHLSUSAUDK-NSHDSACASA-N 1 2 246.358 2.498 20 30 BEEDLO Cc1ccnc([C@H](C)[NH2+]C[C@H](C)C#N)c1 ZINC000308829433 353552310 /nfs/dbraw/zinc/55/23/10/353552310.db2.gz FQWQONFAANLTBV-MNOVXSKESA-N 1 2 203.289 2.200 20 30 BEEDLO C=CC[C@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000289264280 353621754 /nfs/dbraw/zinc/62/17/54/353621754.db2.gz OORKFRGWPBVAIS-AAEUAGOBSA-N 1 2 242.326 2.448 20 30 BEEDLO CC[N@H+](Cc1ccccn1)CC1(C#N)CC1 ZINC000343318212 353665431 /nfs/dbraw/zinc/66/54/31/353665431.db2.gz XHTKEWGYTHJAHS-UHFFFAOYSA-N 1 2 215.300 2.207 20 30 BEEDLO CC[N@@H+](Cc1ccccn1)CC1(C#N)CC1 ZINC000343318212 353665433 /nfs/dbraw/zinc/66/54/33/353665433.db2.gz XHTKEWGYTHJAHS-UHFFFAOYSA-N 1 2 215.300 2.207 20 30 BEEDLO C=CC[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000064543387 353673962 /nfs/dbraw/zinc/67/39/62/353673962.db2.gz PPHNOUNVIRPFEA-SNVBAGLBSA-N 1 2 207.277 2.091 20 30 BEEDLO C=CC[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000064543387 353673963 /nfs/dbraw/zinc/67/39/63/353673963.db2.gz PPHNOUNVIRPFEA-SNVBAGLBSA-N 1 2 207.277 2.091 20 30 BEEDLO COc1cc(C[N@H+](C)CC2(C#N)CC2)ccc1O ZINC000343326567 353721326 /nfs/dbraw/zinc/72/13/26/353721326.db2.gz QYDRMJGOJQPPBB-UHFFFAOYSA-N 1 2 246.310 2.136 20 30 BEEDLO COc1cc(C[N@@H+](C)CC2(C#N)CC2)ccc1O ZINC000343326567 353721328 /nfs/dbraw/zinc/72/13/28/353721328.db2.gz QYDRMJGOJQPPBB-UHFFFAOYSA-N 1 2 246.310 2.136 20 30 BEEDLO CC#CC[N@H+](C)Cc1csc(C2CC2)n1 ZINC000293008276 353730966 /nfs/dbraw/zinc/73/09/66/353730966.db2.gz DIQAWNYNRMBEIG-UHFFFAOYSA-N 1 2 220.341 2.476 20 30 BEEDLO CC#CC[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000293008276 353730967 /nfs/dbraw/zinc/73/09/67/353730967.db2.gz DIQAWNYNRMBEIG-UHFFFAOYSA-N 1 2 220.341 2.476 20 30 BEEDLO C=C(CC)C[NH2+]C1(C(=O)OC)CCCCC1 ZINC000336782675 353731110 /nfs/dbraw/zinc/73/11/10/353731110.db2.gz YLCBHYLRSXWXSO-UHFFFAOYSA-N 1 2 225.332 2.418 20 30 BEEDLO C=CCC(C)(C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000293256069 353737738 /nfs/dbraw/zinc/73/77/38/353737738.db2.gz VBXREKSPXUQTHJ-GFCCVEGCSA-N 1 2 249.358 2.238 20 30 BEEDLO C#C[C@@H](NC(=O)Nc1ccc(C)[nH+]c1C)C(C)C ZINC000296466537 353820391 /nfs/dbraw/zinc/82/03/91/353820391.db2.gz BAPYUBMEHOPQRE-GFCCVEGCSA-N 1 2 245.326 2.478 20 30 BEEDLO C#C[C@@H](NC(=O)Nc1c(C)cc[nH+]c1C)C(C)C ZINC000297162821 353839677 /nfs/dbraw/zinc/83/96/77/353839677.db2.gz VGOUZJYHOPOHTG-GFCCVEGCSA-N 1 2 245.326 2.478 20 30 BEEDLO C#CC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000138407524 353871968 /nfs/dbraw/zinc/87/19/68/353871968.db2.gz DQNWQVFPJPTBDG-TZMCWYRMSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000138407524 353871970 /nfs/dbraw/zinc/87/19/70/353871970.db2.gz DQNWQVFPJPTBDG-TZMCWYRMSA-N 1 2 215.296 2.082 20 30 BEEDLO C[N@H+](Cc1ccon1)Cc1ccc(CC#N)cc1 ZINC000343522776 353927375 /nfs/dbraw/zinc/92/73/75/353927375.db2.gz HFESJWICYBQZRH-UHFFFAOYSA-N 1 2 241.294 2.373 20 30 BEEDLO C[N@@H+](Cc1ccon1)Cc1ccc(CC#N)cc1 ZINC000343522776 353927376 /nfs/dbraw/zinc/92/73/76/353927376.db2.gz HFESJWICYBQZRH-UHFFFAOYSA-N 1 2 241.294 2.373 20 30 BEEDLO N#CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124083684 181041768 /nfs/dbraw/zinc/04/17/68/181041768.db2.gz NDHCVNGIHKZNCX-ZDUSSCGKSA-N 1 2 200.285 2.075 20 30 BEEDLO N#CC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124083684 181041770 /nfs/dbraw/zinc/04/17/70/181041770.db2.gz NDHCVNGIHKZNCX-ZDUSSCGKSA-N 1 2 200.285 2.075 20 30 BEEDLO C[N@H+](CC#N)CC1CCC(F)(F)CC1 ZINC000334561280 354114612 /nfs/dbraw/zinc/11/46/12/354114612.db2.gz HXVRGGCRSLGVDV-UHFFFAOYSA-N 1 2 202.248 2.267 20 30 BEEDLO C[N@@H+](CC#N)CC1CCC(F)(F)CC1 ZINC000334561280 354114614 /nfs/dbraw/zinc/11/46/14/354114614.db2.gz HXVRGGCRSLGVDV-UHFFFAOYSA-N 1 2 202.248 2.267 20 30 BEEDLO Cc1c[nH+]c(CNc2cccc(CC#N)c2)n1C ZINC000449704402 202005682 /nfs/dbraw/zinc/00/56/82/202005682.db2.gz VXBKIZKUBLKDQJ-UHFFFAOYSA-N 1 2 240.310 2.407 20 30 BEEDLO N#Cc1cc(C[N@H+](C2CC2)C2COC2)ccc1F ZINC000295425770 181085260 /nfs/dbraw/zinc/08/52/60/181085260.db2.gz NRZUTFHTZJBWHR-UHFFFAOYSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1cc(C[N@@H+](C2CC2)C2COC2)ccc1F ZINC000295425770 181085262 /nfs/dbraw/zinc/08/52/62/181085262.db2.gz NRZUTFHTZJBWHR-UHFFFAOYSA-N 1 2 246.285 2.061 20 30 BEEDLO C=CC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000577962578 366146414 /nfs/dbraw/zinc/14/64/14/366146414.db2.gz ZBXFCWISSUJZNW-JTQLQIEISA-N 1 2 243.310 2.337 20 30 BEEDLO N#Cc1ccc(NCCNc2cccc[nH+]2)cc1 ZINC000354646768 181121560 /nfs/dbraw/zinc/12/15/60/181121560.db2.gz AVGJDXBBHKLUMT-UHFFFAOYSA-N 1 2 238.294 2.477 20 30 BEEDLO N#Cc1cccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000329713844 181139414 /nfs/dbraw/zinc/13/94/14/181139414.db2.gz SBYWAOMVJZYZGV-LLVKDONJSA-N 1 2 239.282 2.018 20 30 BEEDLO C=C[C@H]([NH2+]CC1(C)CCCCC1)C(=O)OC ZINC000301051909 363396321 /nfs/dbraw/zinc/39/63/21/363396321.db2.gz VBTXAOGUSOMOPR-NSHDSACASA-N 1 2 225.332 2.274 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C(=O)OC ZINC000301051891 363396347 /nfs/dbraw/zinc/39/63/47/363396347.db2.gz VAPBKORMMBFNSW-WHOHXGKFSA-N 1 2 225.332 2.128 20 30 BEEDLO N#Cc1ccncc1NCc1cn2ccccc2[nH+]1 ZINC000354571734 181160304 /nfs/dbraw/zinc/16/03/04/181160304.db2.gz RFNIYSWEOVIGKA-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO C=CC[N@@H+](C)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000346559311 354968196 /nfs/dbraw/zinc/96/81/96/354968196.db2.gz FMRTVKUSYJTVCP-NSHDSACASA-N 1 2 249.362 2.357 20 30 BEEDLO C=CC[N@H+](C)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000346559311 354968200 /nfs/dbraw/zinc/96/82/00/354968200.db2.gz FMRTVKUSYJTVCP-NSHDSACASA-N 1 2 249.362 2.357 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cnns1 ZINC000335198740 355031989 /nfs/dbraw/zinc/03/19/89/355031989.db2.gz ZTRQWMGTWFRQKO-SECBINFHSA-N 1 2 209.318 2.079 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cnns1 ZINC000335198740 355031993 /nfs/dbraw/zinc/03/19/93/355031993.db2.gz ZTRQWMGTWFRQKO-SECBINFHSA-N 1 2 209.318 2.079 20 30 BEEDLO N#Cc1csc(C[NH+]2CC(C3CCC3)C2)n1 ZINC000334149242 181166173 /nfs/dbraw/zinc/16/61/73/181166173.db2.gz HCNSYTUBWPNLSP-UHFFFAOYSA-N 1 2 233.340 2.247 20 30 BEEDLO CCC[N@H+](CC#N)CC1CC(OCC)C1 ZINC000352030626 134044703 /nfs/dbraw/zinc/04/47/03/134044703.db2.gz WODGFUKWMSITBJ-UHFFFAOYSA-N 1 2 210.321 2.037 20 30 BEEDLO CCC[N@@H+](CC#N)CC1CC(OCC)C1 ZINC000352030626 134044704 /nfs/dbraw/zinc/04/47/04/134044704.db2.gz WODGFUKWMSITBJ-UHFFFAOYSA-N 1 2 210.321 2.037 20 30 BEEDLO C=C[C@@H](Cc1nc(C[NH2+]C)no1)c1ccccc1 ZINC000349909476 355524144 /nfs/dbraw/zinc/52/41/44/355524144.db2.gz KXFWLVACQCURPA-NSHDSACASA-N 1 2 243.310 2.301 20 30 BEEDLO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCSC1 ZINC000329526495 355928123 /nfs/dbraw/zinc/92/81/23/355928123.db2.gz RNKMKBLQYGHOSH-QMMMGPOBSA-N 1 2 225.317 2.009 20 30 BEEDLO C[C@@H]1OCC[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329035669 355890380 /nfs/dbraw/zinc/89/03/80/355890380.db2.gz YOOYSEATQFYJES-GXSJLCMTSA-N 1 2 245.282 2.347 20 30 BEEDLO C[C@@H]1OCC[C@@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329035672 355890661 /nfs/dbraw/zinc/89/06/61/355890661.db2.gz YOOYSEATQFYJES-ONGXEEELSA-N 1 2 245.282 2.347 20 30 BEEDLO C=C(C)C[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608749506 355971944 /nfs/dbraw/zinc/97/19/44/355971944.db2.gz JJJUMNJGDWANBT-BDAKNGLRSA-N 1 2 223.238 2.214 20 30 BEEDLO C=C(C)C[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608749506 355971947 /nfs/dbraw/zinc/97/19/47/355971947.db2.gz JJJUMNJGDWANBT-BDAKNGLRSA-N 1 2 223.238 2.214 20 30 BEEDLO CCCCO[NH+]=C(N)COc1ccccc1F ZINC000186860423 535297166 /nfs/dbraw/zinc/29/71/66/535297166.db2.gz QTBFJKPRODSPIY-UHFFFAOYSA-N 1 2 240.278 2.293 20 30 BEEDLO C=CC[N@@H+](CC(C)=O)Cc1cccs1 ZINC000639435004 356214287 /nfs/dbraw/zinc/21/42/87/356214287.db2.gz LYUOBBOKOIDDIM-UHFFFAOYSA-N 1 2 209.314 2.325 20 30 BEEDLO C=CC[N@H+](CC(C)=O)Cc1cccs1 ZINC000639435004 356214289 /nfs/dbraw/zinc/21/42/89/356214289.db2.gz LYUOBBOKOIDDIM-UHFFFAOYSA-N 1 2 209.314 2.325 20 30 BEEDLO C=CCCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000617614842 356184270 /nfs/dbraw/zinc/18/42/70/356184270.db2.gz PZSCRYOIUUFLJB-UHFFFAOYSA-N 1 2 243.310 2.037 20 30 BEEDLO Cc1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)c(C#N)c[nH+]1 ZINC000403206674 356419812 /nfs/dbraw/zinc/41/98/12/356419812.db2.gz HCUOLGJDIDEYKM-GMXVVIOVSA-N 1 2 227.311 2.284 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577736 356489220 /nfs/dbraw/zinc/48/92/20/356489220.db2.gz WQQIHWGJWNDWCC-QMMMGPOBSA-N 1 2 210.227 2.357 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639570323 356495220 /nfs/dbraw/zinc/49/52/20/356495220.db2.gz BTJUWVSRPSDAFE-UHFFFAOYSA-N 1 2 221.304 2.030 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639570323 356495223 /nfs/dbraw/zinc/49/52/23/356495223.db2.gz BTJUWVSRPSDAFE-UHFFFAOYSA-N 1 2 221.304 2.030 20 30 BEEDLO CC[C@@H]1C[N@@H+](CC2(C#N)CC2)C[C@H](CC)O1 ZINC000420959251 192281158 /nfs/dbraw/zinc/28/11/58/192281158.db2.gz QDFJEODKLFESMX-TXEJJXNPSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@@H]1C[N@H+](CC2(C#N)CC2)C[C@H](CC)O1 ZINC000420959251 192281160 /nfs/dbraw/zinc/28/11/60/192281160.db2.gz QDFJEODKLFESMX-TXEJJXNPSA-N 1 2 222.332 2.180 20 30 BEEDLO CC(C)(C)c1csc(C[NH2+]CCC#N)n1 ZINC000578127193 366286783 /nfs/dbraw/zinc/28/67/83/366286783.db2.gz HFQZYSHWJVGICV-UHFFFAOYSA-N 1 2 223.345 2.444 20 30 BEEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC1(C#N)CCC1 ZINC000336259008 134141665 /nfs/dbraw/zinc/14/16/65/134141665.db2.gz FMYATFLUMRHIFT-NSHDSACASA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@H]1COC(C)(C)C[N@H+]1CC1(C#N)CCC1 ZINC000336259008 134141666 /nfs/dbraw/zinc/14/16/66/134141666.db2.gz FMYATFLUMRHIFT-NSHDSACASA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC#N ZINC000336422276 134146629 /nfs/dbraw/zinc/14/66/29/134146629.db2.gz GFWXJTFLNJAZIX-JGVFFNPUSA-N 1 2 206.211 2.173 20 30 BEEDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCC#N ZINC000336422276 134146630 /nfs/dbraw/zinc/14/66/30/134146630.db2.gz GFWXJTFLNJAZIX-JGVFFNPUSA-N 1 2 206.211 2.173 20 30 BEEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC1(C#N)CC1 ZINC000336395540 134146110 /nfs/dbraw/zinc/14/61/10/134146110.db2.gz WIHBSEWEAHVMTQ-NSHDSACASA-N 1 2 221.304 2.070 20 30 BEEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1CC1(C#N)CC1 ZINC000336395540 134146111 /nfs/dbraw/zinc/14/61/11/134146111.db2.gz WIHBSEWEAHVMTQ-NSHDSACASA-N 1 2 221.304 2.070 20 30 BEEDLO CCCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OC ZINC000613647070 363553811 /nfs/dbraw/zinc/55/38/11/363553811.db2.gz OPRVMVUUXLFGNA-UTUOFQBUSA-N 1 2 238.331 2.000 20 30 BEEDLO C=C(C)COCCNc1cc[nH+]c2ccncc12 ZINC000354375230 134168078 /nfs/dbraw/zinc/16/80/78/134168078.db2.gz ADLLWHZTRAZHMB-UHFFFAOYSA-N 1 2 243.310 2.056 20 30 BEEDLO C=C(Cl)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000054347204 363569559 /nfs/dbraw/zinc/56/95/59/363569559.db2.gz NXSWQTGMVLRDMV-UHFFFAOYSA-N 1 2 241.722 2.310 20 30 BEEDLO C=CC[C@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000626468432 357005736 /nfs/dbraw/zinc/00/57/36/357005736.db2.gz FIIVKVVZJBRMBR-LBPRGKRZSA-N 1 2 245.326 2.242 20 30 BEEDLO COC[C@H](C)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000582824892 357408285 /nfs/dbraw/zinc/40/82/85/357408285.db2.gz HWAJSGOWVRATFC-NEPJUHHUSA-N 1 2 224.348 2.283 20 30 BEEDLO COC[C@H](C)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000582824892 357408291 /nfs/dbraw/zinc/40/82/91/357408291.db2.gz HWAJSGOWVRATFC-NEPJUHHUSA-N 1 2 224.348 2.283 20 30 BEEDLO C=CCCCC[N@@H+](C)Cc1noc(C)n1 ZINC000583065633 357471621 /nfs/dbraw/zinc/47/16/21/357471621.db2.gz QGNUBZLBKXFBBR-UHFFFAOYSA-N 1 2 209.293 2.166 20 30 BEEDLO C=CCCCC[N@H+](C)Cc1noc(C)n1 ZINC000583065633 357471624 /nfs/dbraw/zinc/47/16/24/357471624.db2.gz QGNUBZLBKXFBBR-UHFFFAOYSA-N 1 2 209.293 2.166 20 30 BEEDLO C[N@H+](CC#N)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000361294214 134204122 /nfs/dbraw/zinc/20/41/22/134204122.db2.gz DAGZPMPCHKVVIX-QWHCGFSZSA-N 1 2 200.285 2.245 20 30 BEEDLO C[N@@H+](CC#N)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000361294214 134204123 /nfs/dbraw/zinc/20/41/23/134204123.db2.gz DAGZPMPCHKVVIX-QWHCGFSZSA-N 1 2 200.285 2.245 20 30 BEEDLO CC(C)CC[N@H+](CCC#N)Cc1cnccn1 ZINC000583189811 357514566 /nfs/dbraw/zinc/51/45/66/357514566.db2.gz YDDXERSANCCXLS-UHFFFAOYSA-N 1 2 232.331 2.238 20 30 BEEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnccn1 ZINC000583189811 357514569 /nfs/dbraw/zinc/51/45/69/357514569.db2.gz YDDXERSANCCXLS-UHFFFAOYSA-N 1 2 232.331 2.238 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1nc(C)cs1 ZINC000189423378 357640473 /nfs/dbraw/zinc/64/04/73/357640473.db2.gz ZUQYIVZAJVJHDY-UHFFFAOYSA-N 1 2 226.345 2.086 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1nc(C)cs1 ZINC000189423378 357640476 /nfs/dbraw/zinc/64/04/76/357640476.db2.gz ZUQYIVZAJVJHDY-UHFFFAOYSA-N 1 2 226.345 2.086 20 30 BEEDLO C=CCN(CCOC)c1[nH+]c2ccccc2n1C ZINC000189634386 357651006 /nfs/dbraw/zinc/65/10/06/357651006.db2.gz DTHDMXJSKYQNIC-UHFFFAOYSA-N 1 2 245.326 2.212 20 30 BEEDLO CCC[N@H+](CC#N)C[C@@H](O)C1CCCCC1 ZINC000190577963 357715742 /nfs/dbraw/zinc/71/57/42/357715742.db2.gz GNKSVINLAFPPOA-CYBMUJFWSA-N 1 2 224.348 2.163 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@@H](O)C1CCCCC1 ZINC000190577963 357715746 /nfs/dbraw/zinc/71/57/46/357715746.db2.gz GNKSVINLAFPPOA-CYBMUJFWSA-N 1 2 224.348 2.163 20 30 BEEDLO CCC[N@H+](CC#N)C[C@H](O)C1CCCCC1 ZINC000190577940 357715804 /nfs/dbraw/zinc/71/58/04/357715804.db2.gz GNKSVINLAFPPOA-ZDUSSCGKSA-N 1 2 224.348 2.163 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@H](O)C1CCCCC1 ZINC000190577940 357715810 /nfs/dbraw/zinc/71/58/10/357715810.db2.gz GNKSVINLAFPPOA-ZDUSSCGKSA-N 1 2 224.348 2.163 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000369288787 134222217 /nfs/dbraw/zinc/22/22/17/134222217.db2.gz UNRDCCWZFWPPFR-CQSZACIVSA-N 1 2 230.311 2.443 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000369288787 134222218 /nfs/dbraw/zinc/22/22/18/134222218.db2.gz UNRDCCWZFWPPFR-CQSZACIVSA-N 1 2 230.311 2.443 20 30 BEEDLO CC[C@@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000191934660 357805338 /nfs/dbraw/zinc/80/53/38/357805338.db2.gz BIUGSWACZNUWBJ-OAHLLOKOSA-N 1 2 229.323 2.149 20 30 BEEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000191934660 357805339 /nfs/dbraw/zinc/80/53/39/357805339.db2.gz BIUGSWACZNUWBJ-OAHLLOKOSA-N 1 2 229.323 2.149 20 30 BEEDLO C(#Cc1ccccc1)C[N@@H+]1CCOCC12CCC2 ZINC000192122873 357823547 /nfs/dbraw/zinc/82/35/47/357823547.db2.gz LZKYRYIPBOALSN-UHFFFAOYSA-N 1 2 241.334 2.293 20 30 BEEDLO C(#Cc1ccccc1)C[N@H+]1CCOCC12CCC2 ZINC000192122873 357823553 /nfs/dbraw/zinc/82/35/53/357823553.db2.gz LZKYRYIPBOALSN-UHFFFAOYSA-N 1 2 241.334 2.293 20 30 BEEDLO Cc1ccc([C@H](C)[NH2+]CCC#N)cc1[N+](=O)[O-] ZINC000020200168 134223513 /nfs/dbraw/zinc/22/35/13/134223513.db2.gz CNPMIWHAHNLCCF-JTQLQIEISA-N 1 2 233.271 2.468 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC000371204325 134227940 /nfs/dbraw/zinc/22/79/40/134227940.db2.gz HCDZINKTDIOVOA-UHFFFAOYSA-N 1 2 234.347 2.012 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nnc2n1CCCCC2 ZINC000371204325 134227941 /nfs/dbraw/zinc/22/79/41/134227941.db2.gz HCDZINKTDIOVOA-UHFFFAOYSA-N 1 2 234.347 2.012 20 30 BEEDLO N#C[C@H]1C[N@H+](C[C@@H]2CC=CCC2)CCN1C1CC1 ZINC000371328318 134228410 /nfs/dbraw/zinc/22/84/10/134228410.db2.gz UKMJOQVJPJIJRS-HIFRSBDPSA-N 1 2 245.370 2.015 20 30 BEEDLO N#C[C@H]1C[N@@H+](C[C@@H]2CC=CCC2)CCN1C1CC1 ZINC000371328318 134228411 /nfs/dbraw/zinc/22/84/11/134228411.db2.gz UKMJOQVJPJIJRS-HIFRSBDPSA-N 1 2 245.370 2.015 20 30 BEEDLO COCC#CC[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639929803 357896741 /nfs/dbraw/zinc/89/67/41/357896741.db2.gz PYPGBPOKHVKEQB-ZDUSSCGKSA-N 1 2 233.311 2.312 20 30 BEEDLO COCC#CC[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639929803 357896744 /nfs/dbraw/zinc/89/67/44/357896744.db2.gz PYPGBPOKHVKEQB-ZDUSSCGKSA-N 1 2 233.311 2.312 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(F)cc1F ZINC000051017444 357948907 /nfs/dbraw/zinc/94/89/07/357948907.db2.gz CKHLUPSTPHANPV-QMMMGPOBSA-N 1 2 210.227 2.357 20 30 BEEDLO Cc1cc(N[C@@H]2CC[C@H](C#N)C2)nc(C2CC2)[nH+]1 ZINC000584835611 358197256 /nfs/dbraw/zinc/19/72/56/358197256.db2.gz TWDAEQHIYLXNDY-CMPLNLGQSA-N 1 2 242.326 2.189 20 30 BEEDLO C=C(C)CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000450718077 202244015 /nfs/dbraw/zinc/24/40/15/202244015.db2.gz SEQATVNHCGQQJZ-UHFFFAOYSA-N 1 2 232.331 2.099 20 30 BEEDLO C=C(C)CCNc1cc(NCC2CC2)nc[nH+]1 ZINC000450718077 202244018 /nfs/dbraw/zinc/24/40/18/202244018.db2.gz SEQATVNHCGQQJZ-UHFFFAOYSA-N 1 2 232.331 2.099 20 30 BEEDLO C=CCOCc1nc(Cc2ccc[nH+]c2C)no1 ZINC000351240642 366455046 /nfs/dbraw/zinc/45/50/46/366455046.db2.gz XMCHQTGRKLKFRA-UHFFFAOYSA-N 1 2 245.282 2.066 20 30 BEEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C#N)cc1F ZINC000049235984 358676703 /nfs/dbraw/zinc/67/67/03/358676703.db2.gz HIPKGKWOPYZTMI-SNVBAGLBSA-N 1 2 244.273 2.394 20 30 BEEDLO Cc1ccc(OCC[N@@H+](C)CCC#N)cc1 ZINC000052816421 358797223 /nfs/dbraw/zinc/79/72/23/358797223.db2.gz NJOPQJPOZCLJFQ-UHFFFAOYSA-N 1 2 218.300 2.219 20 30 BEEDLO Cc1ccc(OCC[N@H+](C)CCC#N)cc1 ZINC000052816421 358797226 /nfs/dbraw/zinc/79/72/26/358797226.db2.gz NJOPQJPOZCLJFQ-UHFFFAOYSA-N 1 2 218.300 2.219 20 30 BEEDLO CC[C@H](C)N1CC[NH+](CCCCC#N)CC1 ZINC000055066601 358881527 /nfs/dbraw/zinc/88/15/27/358881527.db2.gz LXWVEVSZXDIOER-ZDUSSCGKSA-N 1 2 223.364 2.096 20 30 BEEDLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(C#N)cc1F ZINC000611191093 359100456 /nfs/dbraw/zinc/10/04/56/359100456.db2.gz IVUUSVGSFIQULY-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO CC#CC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000247461300 359222561 /nfs/dbraw/zinc/22/25/61/359222561.db2.gz IJYUQPRKLUJSNO-HIFRSBDPSA-N 1 2 229.323 2.472 20 30 BEEDLO CC#CC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000247461300 359222564 /nfs/dbraw/zinc/22/25/64/359222564.db2.gz IJYUQPRKLUJSNO-HIFRSBDPSA-N 1 2 229.323 2.472 20 30 BEEDLO COC(=O)[C@@H]([NH2+]CCC(C)(C)C#N)C(C)(C)C ZINC000611463092 359373701 /nfs/dbraw/zinc/37/37/01/359373701.db2.gz UQTLTCMKWHTLCD-SNVBAGLBSA-N 1 2 240.347 2.104 20 30 BEEDLO C#CC[N@@H+](Cc1nc(C)cs1)C1CC1 ZINC000274166298 359511646 /nfs/dbraw/zinc/51/16/46/359511646.db2.gz MXMHLEBMXGGPQJ-UHFFFAOYSA-N 1 2 206.314 2.049 20 30 BEEDLO C#CC[N@H+](Cc1nc(C)cs1)C1CC1 ZINC000274166298 359511651 /nfs/dbraw/zinc/51/16/51/359511651.db2.gz MXMHLEBMXGGPQJ-UHFFFAOYSA-N 1 2 206.314 2.049 20 30 BEEDLO C=CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000628493703 359669282 /nfs/dbraw/zinc/66/92/82/359669282.db2.gz VQESBJOPPVGZCE-NWDGAFQWSA-N 1 2 247.342 2.013 20 30 BEEDLO C=CC[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000628493703 359669286 /nfs/dbraw/zinc/66/92/86/359669286.db2.gz VQESBJOPPVGZCE-NWDGAFQWSA-N 1 2 247.342 2.013 20 30 BEEDLO CCn1cc[nH+]c1CN1CCC[C@](C)(C#N)C1 ZINC000612164738 359719512 /nfs/dbraw/zinc/71/95/12/359719512.db2.gz GBIIAKGZODQENK-CYBMUJFWSA-N 1 2 232.331 2.029 20 30 BEEDLO C=CCC[C@@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000450900095 202303505 /nfs/dbraw/zinc/30/35/05/202303505.db2.gz UETCPJKNKNBIRL-JTQLQIEISA-N 1 2 246.314 2.005 20 30 BEEDLO Cn1cccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406093 359833896 /nfs/dbraw/zinc/83/38/96/359833896.db2.gz ICGTXNCHNUCPHL-CYBMUJFWSA-N 1 2 217.316 2.151 20 30 BEEDLO Cn1cccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406093 359833900 /nfs/dbraw/zinc/83/39/00/359833900.db2.gz ICGTXNCHNUCPHL-CYBMUJFWSA-N 1 2 217.316 2.151 20 30 BEEDLO CCn1nccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405642 359832036 /nfs/dbraw/zinc/83/20/36/359832036.db2.gz BUBGWRLJJWCRAZ-ZDUSSCGKSA-N 1 2 232.331 2.029 20 30 BEEDLO CCn1nccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405642 359832038 /nfs/dbraw/zinc/83/20/38/359832038.db2.gz BUBGWRLJJWCRAZ-ZDUSSCGKSA-N 1 2 232.331 2.029 20 30 BEEDLO CC(C)[N@H+](Cc1cccc(C#N)c1F)C1COC1 ZINC000451118517 202356716 /nfs/dbraw/zinc/35/67/16/202356716.db2.gz AGNKYMQIRCZQHQ-UHFFFAOYSA-N 1 2 248.301 2.307 20 30 BEEDLO CC(C)[N@@H+](Cc1cccc(C#N)c1F)C1COC1 ZINC000451118517 202356719 /nfs/dbraw/zinc/35/67/19/202356719.db2.gz AGNKYMQIRCZQHQ-UHFFFAOYSA-N 1 2 248.301 2.307 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000578656446 366622142 /nfs/dbraw/zinc/62/21/42/366622142.db2.gz WVZAAMWSPQFNJT-CHWSQXEVSA-N 1 2 247.342 2.401 20 30 BEEDLO CC[N@@H+](Cc1scnc1C)C[C@@H](C)C#N ZINC000091984001 360141599 /nfs/dbraw/zinc/14/15/99/360141599.db2.gz RXENUFQUBXUZFF-VIFPVBQESA-N 1 2 223.345 2.433 20 30 BEEDLO CC[N@H+](Cc1scnc1C)C[C@@H](C)C#N ZINC000091984001 360141604 /nfs/dbraw/zinc/14/16/04/360141604.db2.gz RXENUFQUBXUZFF-VIFPVBQESA-N 1 2 223.345 2.433 20 30 BEEDLO CC#CC[N@H+](C)Cc1c(C)nsc1C ZINC000579138561 366723152 /nfs/dbraw/zinc/72/31/52/366723152.db2.gz VCBGTGMAEVHIPE-UHFFFAOYSA-N 1 2 208.330 2.215 20 30 BEEDLO CC#CC[N@@H+](C)Cc1c(C)nsc1C ZINC000579138561 366723156 /nfs/dbraw/zinc/72/31/56/366723156.db2.gz VCBGTGMAEVHIPE-UHFFFAOYSA-N 1 2 208.330 2.215 20 30 BEEDLO C[N@@H+](Cc1cccc(F)c1C#N)C[C@@H]1CCCO1 ZINC000428430671 201016379 /nfs/dbraw/zinc/01/63/79/201016379.db2.gz NRNOPVVHIRMACD-LBPRGKRZSA-N 1 2 248.301 2.308 20 30 BEEDLO C[N@H+](Cc1cccc(F)c1C#N)C[C@@H]1CCCO1 ZINC000428430671 201016381 /nfs/dbraw/zinc/01/63/81/201016381.db2.gz NRNOPVVHIRMACD-LBPRGKRZSA-N 1 2 248.301 2.308 20 30 BEEDLO CC#CC[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428946835 201051681 /nfs/dbraw/zinc/05/16/81/201051681.db2.gz PDUMQAIBEXPYKR-VIFPVBQESA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CC[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428946835 201051684 /nfs/dbraw/zinc/05/16/84/201051684.db2.gz PDUMQAIBEXPYKR-VIFPVBQESA-N 1 2 235.249 2.051 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)C1CCCCC1 ZINC000428853605 201045736 /nfs/dbraw/zinc/04/57/36/201045736.db2.gz YYYRHNHBXOOLLU-AWEZNQCLSA-N 1 2 236.359 2.329 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H](O)C1CCCCC1 ZINC000428853605 201045738 /nfs/dbraw/zinc/04/57/38/201045738.db2.gz YYYRHNHBXOOLLU-AWEZNQCLSA-N 1 2 236.359 2.329 20 30 BEEDLO CC#CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000162500325 361353580 /nfs/dbraw/zinc/35/35/80/361353580.db2.gz AMIDQBBYXJMOLW-UHFFFAOYSA-N 1 2 203.289 2.344 20 30 BEEDLO Cc1noc(C)c1CC[N@@H+](C)CC(C)(C)C#N ZINC000433302888 201177946 /nfs/dbraw/zinc/17/79/46/201177946.db2.gz YYJUCDKQNQJUOT-UHFFFAOYSA-N 1 2 235.331 2.316 20 30 BEEDLO Cc1noc(C)c1CC[N@H+](C)CC(C)(C)C#N ZINC000433302888 201177950 /nfs/dbraw/zinc/17/79/50/201177950.db2.gz YYJUCDKQNQJUOT-UHFFFAOYSA-N 1 2 235.331 2.316 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000619718640 363918691 /nfs/dbraw/zinc/91/86/91/363918691.db2.gz SFPLBMOKSRSRDD-CHWSQXEVSA-N 1 2 231.295 2.161 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000619718640 363918693 /nfs/dbraw/zinc/91/86/93/363918693.db2.gz SFPLBMOKSRSRDD-CHWSQXEVSA-N 1 2 231.295 2.161 20 30 BEEDLO C#CC[N@@H+](C)Cc1nc(C)c2ccccc2n1 ZINC000171102524 364770698 /nfs/dbraw/zinc/77/06/98/364770698.db2.gz VAINPNNTYAABKL-UHFFFAOYSA-N 1 2 225.295 2.003 20 30 BEEDLO C#CC[N@H+](C)Cc1nc(C)c2ccccc2n1 ZINC000171102524 364770706 /nfs/dbraw/zinc/77/07/06/364770706.db2.gz VAINPNNTYAABKL-UHFFFAOYSA-N 1 2 225.295 2.003 20 30 BEEDLO CC(C)(C)OCCCC[NH+]1CC(C)(C#N)C1 ZINC000574096715 364986411 /nfs/dbraw/zinc/98/64/11/364986411.db2.gz GMGDVDDFWGLPFJ-UHFFFAOYSA-N 1 2 224.348 2.427 20 30 BEEDLO C[C@@H](CCC#N)[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000574169222 365002875 /nfs/dbraw/zinc/00/28/75/365002875.db2.gz DYZAFEGMJMNSSL-NSHDSACASA-N 1 2 243.310 2.133 20 30 BEEDLO C[C@@H](CCC#N)[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000574169222 365002879 /nfs/dbraw/zinc/00/28/79/365002879.db2.gz DYZAFEGMJMNSSL-NSHDSACASA-N 1 2 243.310 2.133 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000192075493 365273374 /nfs/dbraw/zinc/27/33/74/365273374.db2.gz TZAPCWQYESXIKX-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000192075493 365273378 /nfs/dbraw/zinc/27/33/78/365273378.db2.gz TZAPCWQYESXIKX-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H](CCC#N)[NH+]1CC(C(F)(F)F)C1 ZINC000576124572 365495700 /nfs/dbraw/zinc/49/57/00/365495700.db2.gz ZQWMNUWADGNERP-ZETCQYMHSA-N 1 2 206.211 2.173 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)NCC1(C#N)CC1 ZINC000579628733 366916987 /nfs/dbraw/zinc/91/69/87/366916987.db2.gz YDWYKJFFQMIBRH-UHFFFAOYSA-N 1 2 244.298 2.124 20 30 BEEDLO Cc1ccc(F)c(C[NH2+]C[C@@H](C)C#N)c1 ZINC000183819503 367049013 /nfs/dbraw/zinc/04/90/13/367049013.db2.gz IUAIDJYBKAEQLZ-JTQLQIEISA-N 1 2 206.264 2.383 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)CCOc1cccc(F)c1 ZINC000193538088 367189561 /nfs/dbraw/zinc/18/95/61/367189561.db2.gz HZTFOKQSULJBQI-LLVKDONJSA-N 1 2 236.290 2.438 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)CCOc1cccc(F)c1 ZINC000193538088 367189573 /nfs/dbraw/zinc/18/95/73/367189573.db2.gz HZTFOKQSULJBQI-LLVKDONJSA-N 1 2 236.290 2.438 20 30 BEEDLO C=CC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000382504508 367531296 /nfs/dbraw/zinc/53/12/96/367531296.db2.gz UNAAHERNTBRKTR-SNVBAGLBSA-N 1 2 225.332 2.367 20 30 BEEDLO C=CC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000382504508 367531299 /nfs/dbraw/zinc/53/12/99/367531299.db2.gz UNAAHERNTBRKTR-SNVBAGLBSA-N 1 2 225.332 2.367 20 30 BEEDLO C=CC[C@@H](CC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566305750 326031727 /nfs/dbraw/zinc/03/17/27/326031727.db2.gz VWQGZETTXOQGCB-VXGBXAGGSA-N 1 2 235.331 2.305 20 30 BEEDLO C=Cn1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000618606476 369182874 /nfs/dbraw/zinc/18/28/74/369182874.db2.gz LMYZQOCIBWRXSP-CYBMUJFWSA-N 1 2 230.315 2.109 20 30 BEEDLO C=Cn1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000618606476 369182879 /nfs/dbraw/zinc/18/28/79/369182879.db2.gz LMYZQOCIBWRXSP-CYBMUJFWSA-N 1 2 230.315 2.109 20 30 BEEDLO C=CCC1(NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC000619103951 369283872 /nfs/dbraw/zinc/28/38/72/369283872.db2.gz GIARPVBPOVAMMB-UHFFFAOYSA-N 1 2 247.342 2.278 20 30 BEEDLO COC1(C)C[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000459584195 203307662 /nfs/dbraw/zinc/30/76/62/203307662.db2.gz OJJHSJOOVPKSKU-UHFFFAOYSA-N 1 2 230.311 2.087 20 30 BEEDLO C[N@H+](Cc1cncs1)[C@@H]1CCC[C@@H]1C#N ZINC000400112237 369343005 /nfs/dbraw/zinc/34/30/05/369343005.db2.gz QLPYNRBRYGDYDY-MWLCHTKSSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1cncs1)[C@@H]1CCC[C@@H]1C#N ZINC000400112237 369343008 /nfs/dbraw/zinc/34/30/08/369343008.db2.gz QLPYNRBRYGDYDY-MWLCHTKSSA-N 1 2 221.329 2.267 20 30 BEEDLO C=CCOc1cccc(C[NH+]2CC(OCC)C2)c1 ZINC000459597017 203312706 /nfs/dbraw/zinc/31/27/06/203312706.db2.gz PEHJXAPHGIBZSS-UHFFFAOYSA-N 1 2 247.338 2.472 20 30 BEEDLO C=CCOc1ccc(C[NH+]2CC(OC)C2)cc1 ZINC000459572891 203303550 /nfs/dbraw/zinc/30/35/50/203303550.db2.gz AWSDOKSXKGBEHK-UHFFFAOYSA-N 1 2 233.311 2.082 20 30 BEEDLO COC(C)(C)CN(C)c1cc(C)[nH+]cc1C#N ZINC000404294459 369425729 /nfs/dbraw/zinc/42/57/29/369425729.db2.gz DASQUBZVQCXFGI-UHFFFAOYSA-N 1 2 233.315 2.123 20 30 BEEDLO CSCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405049416 369443209 /nfs/dbraw/zinc/44/32/09/369443209.db2.gz ISYICBPMKNRHRS-UHFFFAOYSA-N 1 2 218.325 2.237 20 30 BEEDLO CSCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405049416 369443215 /nfs/dbraw/zinc/44/32/15/369443215.db2.gz ISYICBPMKNRHRS-UHFFFAOYSA-N 1 2 218.325 2.237 20 30 BEEDLO Cc1[nH+]ccc(N2CC[C@](F)(C#N)C2)c1Cl ZINC000619587351 369487944 /nfs/dbraw/zinc/48/79/44/369487944.db2.gz MFVUNVMWEXCHBK-NSHDSACASA-N 1 2 239.681 2.485 20 30 BEEDLO C=C[C@H]([NH2+]CC1CCC(F)(F)CC1)C(=O)OC ZINC000619704817 369536611 /nfs/dbraw/zinc/53/66/11/369536611.db2.gz RGQNUGFDBNPDMN-JTQLQIEISA-N 1 2 247.285 2.129 20 30 BEEDLO Cc1cc(C[NH+]2CC3(C2)CCCO3)ccc1C#N ZINC000600188699 369512246 /nfs/dbraw/zinc/51/22/46/369512246.db2.gz AXBJVQLMHCDMCM-UHFFFAOYSA-N 1 2 242.322 2.232 20 30 BEEDLO C=C[C@H](Sc1[nH+]cc2ccccn21)C(=O)OC ZINC000619687363 369528306 /nfs/dbraw/zinc/52/83/06/369528306.db2.gz RQIWZCOGJLCKJQ-JTQLQIEISA-N 1 2 248.307 2.154 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](CC)CCc1ccccc1 ZINC000619716296 369545975 /nfs/dbraw/zinc/54/59/75/369545975.db2.gz HYXORALTXZERRL-CQSZACIVSA-N 1 2 247.338 2.279 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)CCc1ccccc1 ZINC000619716296 369545978 /nfs/dbraw/zinc/54/59/78/369545978.db2.gz HYXORALTXZERRL-CQSZACIVSA-N 1 2 247.338 2.279 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000619717234 369547224 /nfs/dbraw/zinc/54/72/24/369547224.db2.gz LVQJQJHWLWPLGS-JSGCOSHPSA-N 1 2 247.338 2.450 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000619717234 369547225 /nfs/dbraw/zinc/54/72/25/369547225.db2.gz LVQJQJHWLWPLGS-JSGCOSHPSA-N 1 2 247.338 2.450 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000619717233 369547835 /nfs/dbraw/zinc/54/78/35/369547835.db2.gz LVQJQJHWLWPLGS-GXTWGEPZSA-N 1 2 247.338 2.450 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000619717233 369547840 /nfs/dbraw/zinc/54/78/40/369547840.db2.gz LVQJQJHWLWPLGS-GXTWGEPZSA-N 1 2 247.338 2.450 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000619722527 369554228 /nfs/dbraw/zinc/55/42/28/369554228.db2.gz GVXFLAUKYRDABB-CQSZACIVSA-N 1 2 247.338 2.463 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000619722527 369554234 /nfs/dbraw/zinc/55/42/34/369554234.db2.gz GVXFLAUKYRDABB-CQSZACIVSA-N 1 2 247.338 2.463 20 30 BEEDLO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccon1 ZINC000602017569 369735438 /nfs/dbraw/zinc/73/54/38/369735438.db2.gz PRWODIKYVXPNTR-AWEZNQCLSA-N 1 2 239.278 2.323 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C[C@H]1F ZINC000602599174 369825081 /nfs/dbraw/zinc/82/50/81/369825081.db2.gz FSSDCOAWPGEJAD-ZWNOBZJWSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C[C@H]1F ZINC000602599174 369825083 /nfs/dbraw/zinc/82/50/83/369825083.db2.gz FSSDCOAWPGEJAD-ZWNOBZJWSA-N 1 2 233.290 2.133 20 30 BEEDLO N#Cc1cc(NCCCCn2cc[nH+]c2)ccn1 ZINC000061812139 369858188 /nfs/dbraw/zinc/85/81/88/369858188.db2.gz JTNSHXFYZAFRPX-UHFFFAOYSA-N 1 2 241.298 2.042 20 30 BEEDLO C=C(C)C(C)(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620611799 369957972 /nfs/dbraw/zinc/95/79/72/369957972.db2.gz NQCBEPLJHXPVLD-JTQLQIEISA-N 1 2 235.331 2.200 20 30 BEEDLO C=CCCC(C)(C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000620857228 370011190 /nfs/dbraw/zinc/01/11/90/370011190.db2.gz SSLAUGQCXFYCGH-UHFFFAOYSA-N 1 2 235.331 2.203 20 30 BEEDLO C=CCCC(C)(C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000620857228 370011193 /nfs/dbraw/zinc/01/11/93/370011193.db2.gz SSLAUGQCXFYCGH-UHFFFAOYSA-N 1 2 235.331 2.203 20 30 BEEDLO Cc1ncc(C[N@H+](C)C[C@@H](C#N)CCC#N)s1 ZINC000076514285 370303916 /nfs/dbraw/zinc/30/39/16/370303916.db2.gz UREJDMKLKUMYJE-LLVKDONJSA-N 1 2 248.355 2.327 20 30 BEEDLO Cc1ncc(C[N@@H+](C)C[C@@H](C#N)CCC#N)s1 ZINC000076514285 370303917 /nfs/dbraw/zinc/30/39/17/370303917.db2.gz UREJDMKLKUMYJE-LLVKDONJSA-N 1 2 248.355 2.327 20 30 BEEDLO C=CCCn1cc(C[NH+]2CC(CC3CC3)C2)nn1 ZINC000621740437 370499301 /nfs/dbraw/zinc/49/93/01/370499301.db2.gz PXCBKZKOHROHMQ-UHFFFAOYSA-N 1 2 246.358 2.086 20 30 BEEDLO C[C@]1(F)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000334352316 371510830 /nfs/dbraw/zinc/51/08/30/371510830.db2.gz HQMQOBIZGVTFMQ-ZDUSSCGKSA-N 1 2 218.275 2.492 20 30 BEEDLO C[C@]1(F)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000334352316 371510836 /nfs/dbraw/zinc/51/08/36/371510836.db2.gz HQMQOBIZGVTFMQ-ZDUSSCGKSA-N 1 2 218.275 2.492 20 30 BEEDLO C=C1CC(C)(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000631255006 372261993 /nfs/dbraw/zinc/26/19/93/372261993.db2.gz UMTKUYFQCUFPFC-UHFFFAOYSA-N 1 2 216.284 2.107 20 30 BEEDLO C=CCCC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000176781845 205594399 /nfs/dbraw/zinc/59/43/99/205594399.db2.gz NJPHFZXAGGVDHJ-UHFFFAOYSA-N 1 2 233.315 2.077 20 30 BEEDLO CCc1[nH]c(CNc2ccc(C#N)c(C)n2)c[nH+]1 ZINC001643237797 1172451400 /nfs/dbraw/zinc/45/14/00/1172451400.db2.gz RQTTURPPQXPTSH-UHFFFAOYSA-N 1 2 241.298 2.159 20 30 BEEDLO CCc1[nH]cc(CNc2ccc(C#N)c(C)n2)[nH+]1 ZINC001643237797 1172451407 /nfs/dbraw/zinc/45/14/07/1172451407.db2.gz RQTTURPPQXPTSH-UHFFFAOYSA-N 1 2 241.298 2.159 20 30 BEEDLO CCCCCCC[C@@H](C)[NH2+]CC(=O)OC ZINC000059089696 1172505264 /nfs/dbraw/zinc/50/52/64/1172505264.db2.gz IHNFCGFANDJPGN-LLVKDONJSA-N 1 2 215.337 2.498 20 30 BEEDLO CCc1cn(Cc2ccc(C#N)cc2OC)c[nH+]1 ZINC001644227948 1172534625 /nfs/dbraw/zinc/53/46/25/1172534625.db2.gz PHQCNRRGOYPRSN-UHFFFAOYSA-N 1 2 241.294 2.374 20 30 BEEDLO Cn1c[nH+]cc1COc1cc(F)cc(C#N)c1 ZINC000334248398 383846957 /nfs/dbraw/zinc/84/69/57/383846957.db2.gz PVPUGZBFUFVCSS-UHFFFAOYSA-N 1 2 231.230 2.010 20 30 BEEDLO Cc1cccc(OCC[N@@H+](C)CCC#N)c1 ZINC000052816197 134386325 /nfs/dbraw/zinc/38/63/25/134386325.db2.gz AWWMOIZBVRKOBM-UHFFFAOYSA-N 1 2 218.300 2.219 20 30 BEEDLO Cc1cccc(OCC[N@H+](C)CCC#N)c1 ZINC000052816197 134386326 /nfs/dbraw/zinc/38/63/26/134386326.db2.gz AWWMOIZBVRKOBM-UHFFFAOYSA-N 1 2 218.300 2.219 20 30 BEEDLO C#CCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000363461383 384064163 /nfs/dbraw/zinc/06/41/63/384064163.db2.gz PNQODYLYXANQGH-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO C#CCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000363461383 384064168 /nfs/dbraw/zinc/06/41/68/384064168.db2.gz PNQODYLYXANQGH-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cnc(Cl)s1 ZINC000307753784 384150890 /nfs/dbraw/zinc/15/08/90/384150890.db2.gz XCESWKNSYZWFBU-ZETCQYMHSA-N 1 2 214.721 2.250 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cnc(Cl)s1 ZINC000307753784 384150900 /nfs/dbraw/zinc/15/09/00/384150900.db2.gz XCESWKNSYZWFBU-ZETCQYMHSA-N 1 2 214.721 2.250 20 30 BEEDLO C#CCCCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000270928460 533041471 /nfs/dbraw/zinc/04/14/71/533041471.db2.gz PODTYEGGRORAHM-UHFFFAOYSA-N 1 2 236.702 2.390 20 30 BEEDLO N#Cc1ccncc1NCCCCn1cc[nH+]c1 ZINC000135602311 384194789 /nfs/dbraw/zinc/19/47/89/384194789.db2.gz XPDIHCMJCYEZLT-UHFFFAOYSA-N 1 2 241.298 2.042 20 30 BEEDLO CCc1nn(C)c(CC)c1C[N@H+](C)[C@H](C)CC#N ZINC000093091210 384210294 /nfs/dbraw/zinc/21/02/94/384210294.db2.gz DOIUIRASCSXFDS-LLVKDONJSA-N 1 2 248.374 2.279 20 30 BEEDLO CCc1nn(C)c(CC)c1C[N@@H+](C)[C@H](C)CC#N ZINC000093091210 384210296 /nfs/dbraw/zinc/21/02/96/384210296.db2.gz DOIUIRASCSXFDS-LLVKDONJSA-N 1 2 248.374 2.279 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc2c1OCO2 ZINC000093090611 384210780 /nfs/dbraw/zinc/21/07/80/384210780.db2.gz JUWUAMYMSUVZNH-SNVBAGLBSA-N 1 2 232.283 2.149 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc2c1OCO2 ZINC000093090611 384210783 /nfs/dbraw/zinc/21/07/83/384210783.db2.gz JUWUAMYMSUVZNH-SNVBAGLBSA-N 1 2 232.283 2.149 20 30 BEEDLO Cc1cnc(C[NH2+]Cc2ccc(C#N)o2)s1 ZINC000164839675 384214454 /nfs/dbraw/zinc/21/44/54/384214454.db2.gz DZXZMPGNKUQLCQ-UHFFFAOYSA-N 1 2 233.296 2.206 20 30 BEEDLO CN(Cc1[nH]cc[nH+]1)c1ccc(F)cc1C#N ZINC000336599147 384243978 /nfs/dbraw/zinc/24/39/78/384243978.db2.gz GJVKKQRQEGHHMP-UHFFFAOYSA-N 1 2 230.246 2.057 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccccc1OC ZINC000043457268 384276394 /nfs/dbraw/zinc/27/63/94/384276394.db2.gz HVJSLNLWPYVDQO-UHFFFAOYSA-N 1 2 218.300 2.431 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccccc1OC ZINC000043457268 384276398 /nfs/dbraw/zinc/27/63/98/384276398.db2.gz HVJSLNLWPYVDQO-UHFFFAOYSA-N 1 2 218.300 2.431 20 30 BEEDLO C=C(C)CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000187738739 384303913 /nfs/dbraw/zinc/30/39/13/384303913.db2.gz JWAGASLSGDMJKF-UHFFFAOYSA-N 1 2 243.310 2.037 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000335442093 384290305 /nfs/dbraw/zinc/29/03/05/384290305.db2.gz HVZIIMKPEVAAPA-YPMHNXCESA-N 1 2 248.351 2.231 20 30 BEEDLO N#Cc1csc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000335442093 384290314 /nfs/dbraw/zinc/29/03/14/384290314.db2.gz HVZIIMKPEVAAPA-YPMHNXCESA-N 1 2 248.351 2.231 20 30 BEEDLO Cc1cc(N2C[C@H](C)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000335513554 384295287 /nfs/dbraw/zinc/29/52/87/384295287.db2.gz SXHQBGGOVFTRQC-UWVGGRQHSA-N 1 2 215.300 2.354 20 30 BEEDLO Cc1cc(N2CCCSCC2)c(C#N)c[nH+]1 ZINC000335514824 384296591 /nfs/dbraw/zinc/29/65/91/384296591.db2.gz ZSWQXMLGSBJNBS-UHFFFAOYSA-N 1 2 233.340 2.205 20 30 BEEDLO Cc1cc(NC2CCCC2)c(C#N)c[nH+]1 ZINC000335510900 384296850 /nfs/dbraw/zinc/29/68/50/384296850.db2.gz MDFLSAFQOZLROZ-UHFFFAOYSA-N 1 2 201.273 2.038 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1ccccn1 ZINC000035694759 384417762 /nfs/dbraw/zinc/41/77/62/384417762.db2.gz APNNPBYMOYQNHZ-WDEREUQCSA-N 1 2 203.289 2.424 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000161777140 384525167 /nfs/dbraw/zinc/52/51/67/384525167.db2.gz DLJGGOOPEYLVQX-SNVBAGLBSA-N 1 2 231.274 2.431 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000161777140 384525178 /nfs/dbraw/zinc/52/51/78/384525178.db2.gz DLJGGOOPEYLVQX-SNVBAGLBSA-N 1 2 231.274 2.431 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccccc1N(C)C ZINC000161897278 384539673 /nfs/dbraw/zinc/53/96/73/384539673.db2.gz QOVGHYPODRMOBF-LBPRGKRZSA-N 1 2 231.343 2.487 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccccc1N(C)C ZINC000161897278 384539675 /nfs/dbraw/zinc/53/96/75/384539675.db2.gz QOVGHYPODRMOBF-LBPRGKRZSA-N 1 2 231.343 2.487 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(Cl)n1 ZINC000086114422 384603524 /nfs/dbraw/zinc/60/35/24/384603524.db2.gz FJPGFLSZFSZWTC-VIFPVBQESA-N 1 2 223.707 2.469 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(Cl)n1 ZINC000086114422 384603536 /nfs/dbraw/zinc/60/35/36/384603536.db2.gz FJPGFLSZFSZWTC-VIFPVBQESA-N 1 2 223.707 2.469 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(C)s1 ZINC000040998082 384633803 /nfs/dbraw/zinc/63/38/03/384633803.db2.gz IONRRRPYMXPYDR-SECBINFHSA-N 1 2 209.318 2.233 20 30 BEEDLO C[C@@H]([NH2+]CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000020200202 384596140 /nfs/dbraw/zinc/59/61/40/384596140.db2.gz JLGBDSZWFAHTMH-SECBINFHSA-N 1 2 219.244 2.159 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000050144414 384598382 /nfs/dbraw/zinc/59/83/82/384598382.db2.gz AATSWZUQTNXUNC-LLVKDONJSA-N 1 2 248.301 2.490 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000050144414 384598387 /nfs/dbraw/zinc/59/83/87/384598387.db2.gz AATSWZUQTNXUNC-LLVKDONJSA-N 1 2 248.301 2.490 20 30 BEEDLO CC#CCC[N@H+](C)Cc1nccn1C(F)F ZINC000155097140 384691395 /nfs/dbraw/zinc/69/13/95/384691395.db2.gz DZMVRLSGTZWVSE-UHFFFAOYSA-N 1 2 227.258 2.123 20 30 BEEDLO CC#CCC[N@@H+](C)Cc1nccn1C(F)F ZINC000155097140 384691402 /nfs/dbraw/zinc/69/14/02/384691402.db2.gz DZMVRLSGTZWVSE-UHFFFAOYSA-N 1 2 227.258 2.123 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc2c1OCO2 ZINC000102409422 384712365 /nfs/dbraw/zinc/71/23/65/384712365.db2.gz APBLMVVRJYEZJY-UHFFFAOYSA-N 1 2 232.283 2.151 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc2c1OCO2 ZINC000102409422 384712369 /nfs/dbraw/zinc/71/23/69/384712369.db2.gz APBLMVVRJYEZJY-UHFFFAOYSA-N 1 2 232.283 2.151 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000491405896 384728711 /nfs/dbraw/zinc/72/87/11/384728711.db2.gz LMNQRVJZAHIRIO-JTQLQIEISA-N 1 2 213.284 2.016 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000491405896 384728716 /nfs/dbraw/zinc/72/87/16/384728716.db2.gz LMNQRVJZAHIRIO-JTQLQIEISA-N 1 2 213.284 2.016 20 30 BEEDLO C=CCCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000174219068 384767818 /nfs/dbraw/zinc/76/78/18/384767818.db2.gz PAUYLFSMOROMAQ-LLVKDONJSA-N 1 2 228.336 2.303 20 30 BEEDLO N#Cc1cccc(CNc2cccc(CO)[nH+]2)c1 ZINC000432735735 384866469 /nfs/dbraw/zinc/86/64/69/384866469.db2.gz OGQJTPDAXHOABA-UHFFFAOYSA-N 1 2 239.278 2.058 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(O)c1 ZINC000127621438 384923532 /nfs/dbraw/zinc/92/35/32/384923532.db2.gz IPIRAYQKMTVURL-UHFFFAOYSA-N 1 2 234.299 2.136 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(O)c1 ZINC000127621438 384923542 /nfs/dbraw/zinc/92/35/42/384923542.db2.gz IPIRAYQKMTVURL-UHFFFAOYSA-N 1 2 234.299 2.136 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnn(C(C)(C)C)c1 ZINC000127681421 384934145 /nfs/dbraw/zinc/93/41/45/384934145.db2.gz JIXCXGXQBCPBQM-UHFFFAOYSA-N 1 2 234.347 2.374 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnn(C(C)(C)C)c1 ZINC000127681421 384934148 /nfs/dbraw/zinc/93/41/48/384934148.db2.gz JIXCXGXQBCPBQM-UHFFFAOYSA-N 1 2 234.347 2.374 20 30 BEEDLO CCN(CCC#N)Cc1c[nH+]c2ccc(C)cn12 ZINC000127686107 384934935 /nfs/dbraw/zinc/93/49/35/384934935.db2.gz ZXCKFIPPKMYOGN-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO CCc1ccc(C[N@H+](C)C[C@H](C)C#N)nc1 ZINC000338955587 384962741 /nfs/dbraw/zinc/96/27/41/384962741.db2.gz CGVREEQSJKANQG-LLVKDONJSA-N 1 2 217.316 2.235 20 30 BEEDLO CCc1ccc(C[N@@H+](C)C[C@H](C)C#N)nc1 ZINC000338955587 384962746 /nfs/dbraw/zinc/96/27/46/384962746.db2.gz CGVREEQSJKANQG-LLVKDONJSA-N 1 2 217.316 2.235 20 30 BEEDLO Cc1[nH+]cccc1NCc1ccc(C#N)o1 ZINC000135511797 385034524 /nfs/dbraw/zinc/03/45/24/385034524.db2.gz XKPRCVYTPBGENQ-UHFFFAOYSA-N 1 2 213.240 2.467 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000157697580 385226849 /nfs/dbraw/zinc/22/68/49/385226849.db2.gz QMQJTIFORGEZKC-NSHDSACASA-N 1 2 221.325 2.145 20 30 BEEDLO CC#CC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000157697580 385226854 /nfs/dbraw/zinc/22/68/54/385226854.db2.gz QMQJTIFORGEZKC-NSHDSACASA-N 1 2 221.325 2.145 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(CSC)s1 ZINC000491265024 385283576 /nfs/dbraw/zinc/28/35/76/385283576.db2.gz JGSBSSPSWFESEK-SECBINFHSA-N 1 2 240.397 2.460 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(CSC)s1 ZINC000491265024 385283580 /nfs/dbraw/zinc/28/35/80/385283580.db2.gz JGSBSSPSWFESEK-SECBINFHSA-N 1 2 240.397 2.460 20 30 BEEDLO C=C(CC)C[NH2+][C@@H](C(=O)OC)[C@H](C)CC ZINC000308911526 385287181 /nfs/dbraw/zinc/28/71/81/385287181.db2.gz DVKPSDNADJUKPR-GHMZBOCLSA-N 1 2 213.321 2.130 20 30 BEEDLO C=C(CC)C[NH2+][C@H](C(=O)OC)[C@H](C)CC ZINC000308911528 385287327 /nfs/dbraw/zinc/28/73/27/385287327.db2.gz DVKPSDNADJUKPR-MNOVXSKESA-N 1 2 213.321 2.130 20 30 BEEDLO CCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000154512964 385333339 /nfs/dbraw/zinc/33/33/39/385333339.db2.gz XSGMNDLPMYOWEY-UHFFFAOYSA-N 1 2 210.252 2.181 20 30 BEEDLO C#CC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000247549002 385352965 /nfs/dbraw/zinc/35/29/65/385352965.db2.gz PSQQVYPLXKJPEQ-GXTWGEPZSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000247549002 385352970 /nfs/dbraw/zinc/35/29/70/385352970.db2.gz PSQQVYPLXKJPEQ-GXTWGEPZSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[N@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000247702265 385366684 /nfs/dbraw/zinc/36/66/84/385366684.db2.gz YEGNYYIPECPPQE-ZFWWWQNUSA-N 1 2 229.323 2.390 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000247702265 385366690 /nfs/dbraw/zinc/36/66/90/385366690.db2.gz YEGNYYIPECPPQE-ZFWWWQNUSA-N 1 2 229.323 2.390 20 30 BEEDLO COc1cc(C)nc(C[NH+]2CCC(C#N)CC2)c1 ZINC000168887514 385391763 /nfs/dbraw/zinc/39/17/63/385391763.db2.gz XRLPOUKTZLTPFH-UHFFFAOYSA-N 1 2 245.326 2.134 20 30 BEEDLO Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)c[nH+]1 ZINC000309098791 385409472 /nfs/dbraw/zinc/40/94/72/385409472.db2.gz FWWYZBRHZVOOBW-WDEREUQCSA-N 1 2 201.273 2.494 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000491376256 385543733 /nfs/dbraw/zinc/54/37/33/385543733.db2.gz ZFJARJGJUPSGMW-VIFPVBQESA-N 1 2 239.750 2.089 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000491376256 385543736 /nfs/dbraw/zinc/54/37/36/385543736.db2.gz ZFJARJGJUPSGMW-VIFPVBQESA-N 1 2 239.750 2.089 20 30 BEEDLO Cc1ccoc1C[NH2+]Cc1ccc(C#N)o1 ZINC000291828589 385735739 /nfs/dbraw/zinc/73/57/39/385735739.db2.gz ZYJBLYVPWCTLMN-UHFFFAOYSA-N 1 2 216.240 2.343 20 30 BEEDLO C#CC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369804385 533154724 /nfs/dbraw/zinc/15/47/24/533154724.db2.gz UBGPYKKQGNESDL-HUUCEWRRSA-N 1 2 224.307 2.391 20 30 BEEDLO C#CC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369804385 533154733 /nfs/dbraw/zinc/15/47/33/533154733.db2.gz UBGPYKKQGNESDL-HUUCEWRRSA-N 1 2 224.307 2.391 20 30 BEEDLO C=CCC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000335058233 385957999 /nfs/dbraw/zinc/95/79/99/385957999.db2.gz UAEHWANQTFGVQW-UONOGXRCSA-N 1 2 234.343 2.490 20 30 BEEDLO C=CCC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000335058233 385958002 /nfs/dbraw/zinc/95/80/02/385958002.db2.gz UAEHWANQTFGVQW-UONOGXRCSA-N 1 2 234.343 2.490 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000425452833 386093863 /nfs/dbraw/zinc/09/38/63/386093863.db2.gz DLNKTNRQCUDYNI-UHFFFAOYSA-N 1 2 229.230 2.158 20 30 BEEDLO C=CC[N@H+](Cc1nc(C(F)F)no1)C1CC1 ZINC000425452833 386093869 /nfs/dbraw/zinc/09/38/69/386093869.db2.gz DLNKTNRQCUDYNI-UHFFFAOYSA-N 1 2 229.230 2.158 20 30 BEEDLO CO[C@H](C[N@@H+]1CCCC(C)(C)[C@H]1C#N)C1CC1 ZINC000425467307 386134091 /nfs/dbraw/zinc/13/40/91/386134091.db2.gz BPOPXNOPFUCYHF-CHWSQXEVSA-N 1 2 236.359 2.426 20 30 BEEDLO CO[C@H](C[N@H+]1CCCC(C)(C)[C@H]1C#N)C1CC1 ZINC000425467307 386134098 /nfs/dbraw/zinc/13/40/98/386134098.db2.gz BPOPXNOPFUCYHF-CHWSQXEVSA-N 1 2 236.359 2.426 20 30 BEEDLO C[C@H](C#N)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000334492477 386355558 /nfs/dbraw/zinc/35/55/58/386355558.db2.gz SBHUEXRJHKCBLZ-SECBINFHSA-N 1 2 240.266 2.175 20 30 BEEDLO N#CCC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414448583 386522358 /nfs/dbraw/zinc/52/23/58/386522358.db2.gz SBWZRJCEABCFJM-UHFFFAOYSA-N 1 2 240.209 2.011 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+]1Cc2cccnc2C1 ZINC000644933318 386628989 /nfs/dbraw/zinc/62/89/89/386628989.db2.gz HYFASDRNSASTBJ-LLVKDONJSA-N 1 2 200.285 2.199 20 30 BEEDLO CCC#C[C@@H](C)[N@H+]1Cc2cccnc2C1 ZINC000644933318 386628993 /nfs/dbraw/zinc/62/89/93/386628993.db2.gz HYFASDRNSASTBJ-LLVKDONJSA-N 1 2 200.285 2.199 20 30 BEEDLO CCc1ccc(C[NH2+][C@@H](CC)CC#N)nc1 ZINC000520248371 386629380 /nfs/dbraw/zinc/62/93/80/386629380.db2.gz ARKQQFMSICEBSB-LBPRGKRZSA-N 1 2 217.316 2.426 20 30 BEEDLO Cc1[nH]c2ccc(NC(=O)C(C)(C)C#N)cc2[nH+]1 ZINC000049247810 386605195 /nfs/dbraw/zinc/60/51/95/386605195.db2.gz ZTBRGIIZOYJPCV-UHFFFAOYSA-N 1 2 242.282 2.360 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000343248058 386660245 /nfs/dbraw/zinc/66/02/45/386660245.db2.gz KOVOHIJTIRWLNC-GFCCVEGCSA-N 1 2 235.331 2.134 20 30 BEEDLO C=C[C@](C)(CC)C(=O)NCc1c[nH+]ccc1OC ZINC000294486735 386679787 /nfs/dbraw/zinc/67/97/87/386679787.db2.gz JLEAUTHGAOMXIB-CQSZACIVSA-N 1 2 248.326 2.309 20 30 BEEDLO CCC[N@@H+](CC#N)CCC1(OC)CCC1 ZINC000336664121 386755277 /nfs/dbraw/zinc/75/52/77/386755277.db2.gz XDMQSPWDRMGRFS-UHFFFAOYSA-N 1 2 210.321 2.181 20 30 BEEDLO CCC[N@H+](CC#N)CCC1(OC)CCC1 ZINC000336664121 386755282 /nfs/dbraw/zinc/75/52/82/386755282.db2.gz XDMQSPWDRMGRFS-UHFFFAOYSA-N 1 2 210.321 2.181 20 30 BEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1nccn1C(F)F ZINC000330666562 386817367 /nfs/dbraw/zinc/81/73/67/386817367.db2.gz SHGHMEKFCMCWRO-BDAKNGLRSA-N 1 2 240.257 2.060 20 30 BEEDLO CC[C@@H](NC(=O)c1nc(C)oc1C)c1[nH]cc[nH+]1 ZINC000330583867 386799452 /nfs/dbraw/zinc/79/94/52/386799452.db2.gz VIJIJCVBNGTYRR-SECBINFHSA-N 1 2 248.286 2.470 20 30 BEEDLO C=CCCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000280701909 386837970 /nfs/dbraw/zinc/83/79/70/386837970.db2.gz SDBXNOGRTUOFJR-MDWZMJQESA-N 1 2 221.256 2.189 20 30 BEEDLO N#CCC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000335861106 386942970 /nfs/dbraw/zinc/94/29/70/386942970.db2.gz UUMIAVANWFVVHO-HNNXBMFYSA-N 1 2 242.322 2.370 20 30 BEEDLO N#CCC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000335861106 386942973 /nfs/dbraw/zinc/94/29/73/386942973.db2.gz UUMIAVANWFVVHO-HNNXBMFYSA-N 1 2 242.322 2.370 20 30 BEEDLO Cc1cc(NCCCCOC(C)C)c(C#N)c[nH+]1 ZINC000399519461 386954722 /nfs/dbraw/zinc/95/47/22/386954722.db2.gz QHDBDRKDFHBBOF-UHFFFAOYSA-N 1 2 247.342 2.301 20 30 BEEDLO Cc1cc(N(C)C[C@H]2CCCCO2)c(C#N)c[nH+]1 ZINC000399548964 387001793 /nfs/dbraw/zinc/00/17/93/387001793.db2.gz ZHSWIAPVXNALRZ-CYBMUJFWSA-N 1 2 245.326 2.267 20 30 BEEDLO C[C@@H]([NH2+]Cc1cocn1)c1ccc(C#N)cc1 ZINC000346864626 387002575 /nfs/dbraw/zinc/00/25/75/387002575.db2.gz UWVHIFXDUNKJKV-SNVBAGLBSA-N 1 2 227.267 2.397 20 30 BEEDLO Cc1cc(NC2CCCCC2)c(C#N)c[nH+]1 ZINC000399451496 387109630 /nfs/dbraw/zinc/10/96/30/387109630.db2.gz NEDNITJPXBPNMX-UHFFFAOYSA-N 1 2 215.300 2.428 20 30 BEEDLO Cc1csc(C[NH2+]CC2(C#N)CCC2)n1 ZINC000418143114 387165144 /nfs/dbraw/zinc/16/51/44/387165144.db2.gz OWVHNYVDOBJHCB-UHFFFAOYSA-N 1 2 221.329 2.235 20 30 BEEDLO C[N@H+](Cc1cocn1)Cc1cccc(C#N)c1 ZINC000191926596 387224123 /nfs/dbraw/zinc/22/41/23/387224123.db2.gz CHYNLBLLENHXKV-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C[N@@H+](Cc1cocn1)Cc1cccc(C#N)c1 ZINC000191926596 387224129 /nfs/dbraw/zinc/22/41/29/387224129.db2.gz CHYNLBLLENHXKV-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1cccc2c1OCO2 ZINC000168940267 387372241 /nfs/dbraw/zinc/37/22/41/387372241.db2.gz JAHHXZUDEAWVAG-UHFFFAOYSA-N 1 2 232.283 2.055 20 30 BEEDLO C=CC1CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC000336505670 387332234 /nfs/dbraw/zinc/33/22/34/387332234.db2.gz ZXZCASPCHQMUGW-VIFPVBQESA-N 1 2 221.304 2.337 20 30 BEEDLO C=C1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000264474931 387390857 /nfs/dbraw/zinc/39/08/57/387390857.db2.gz OPDGBTDCHWWRNM-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO C=C1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000264435926 387391339 /nfs/dbraw/zinc/39/13/39/387391339.db2.gz DQAVFLZVBZQNDX-UHFFFAOYSA-N 1 2 248.301 2.416 20 30 BEEDLO CC[C@](C)(C#N)C(=O)NCc1c[nH+]c(C)cc1C ZINC000396976512 387524354 /nfs/dbraw/zinc/52/43/54/387524354.db2.gz KRHMFDIKIODEAI-CQSZACIVSA-N 1 2 245.326 2.255 20 30 BEEDLO Cc1cc(N2CCC(C#N)CC2)c(C#N)c[nH+]1 ZINC000516176650 387468990 /nfs/dbraw/zinc/46/89/90/387468990.db2.gz WYRZBGMJENBECW-UHFFFAOYSA-N 1 2 226.283 2.002 20 30 BEEDLO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)ccn1 ZINC000527540724 387611734 /nfs/dbraw/zinc/61/17/34/387611734.db2.gz VNIWVLSAZPOHFK-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO Cc1cc(C[N@H+](C)CC(C)(C)C#N)ccn1 ZINC000527540724 387611741 /nfs/dbraw/zinc/61/17/41/387611741.db2.gz VNIWVLSAZPOHFK-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO Cc1cc(NCC(C)(C)C)c(C#N)c[nH+]1 ZINC000399701824 387565286 /nfs/dbraw/zinc/56/52/86/387565286.db2.gz CNGSVWZAKDJYLI-UHFFFAOYSA-N 1 2 203.289 2.142 20 30 BEEDLO CO[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441161330 387731625 /nfs/dbraw/zinc/73/16/25/387731625.db2.gz ZFARZFDAYOVXIX-CYBMUJFWSA-N 1 2 249.741 2.412 20 30 BEEDLO CO[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441161330 387731627 /nfs/dbraw/zinc/73/16/27/387731627.db2.gz ZFARZFDAYOVXIX-CYBMUJFWSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442782954 387839859 /nfs/dbraw/zinc/83/98/59/387839859.db2.gz PEPPMYLQEMKHJI-CBBWQLFWSA-N 1 2 249.402 2.389 20 30 BEEDLO C=CCCCCC[N@@H+](CCO)CC(F)F ZINC000194859972 387840208 /nfs/dbraw/zinc/84/02/08/387840208.db2.gz VGKQUYOKSKTIBV-UHFFFAOYSA-N 1 2 221.291 2.292 20 30 BEEDLO C=CCCCCC[N@H+](CCO)CC(F)F ZINC000194859972 387840211 /nfs/dbraw/zinc/84/02/11/387840211.db2.gz VGKQUYOKSKTIBV-UHFFFAOYSA-N 1 2 221.291 2.292 20 30 BEEDLO COC(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433007820 387848939 /nfs/dbraw/zinc/84/89/39/387848939.db2.gz BCVWAWGUAAFNQN-CYBMUJFWSA-N 1 2 246.310 2.184 20 30 BEEDLO C=C(CC)C[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000445790685 387967465 /nfs/dbraw/zinc/96/74/65/387967465.db2.gz NWMJMUIOWSBWAE-CQSZACIVSA-N 1 2 234.343 2.365 20 30 BEEDLO C=C(CC)C[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000445790685 387967470 /nfs/dbraw/zinc/96/74/70/387967470.db2.gz NWMJMUIOWSBWAE-CQSZACIVSA-N 1 2 234.343 2.365 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@@H](C)O1 ZINC000245567260 387977624 /nfs/dbraw/zinc/97/76/24/387977624.db2.gz UHPQXQYDPOQSCQ-MNOVXSKESA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@@H](C)O1 ZINC000245567260 387977630 /nfs/dbraw/zinc/97/76/30/387977630.db2.gz UHPQXQYDPOQSCQ-MNOVXSKESA-N 1 2 234.299 2.151 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246183864 388017202 /nfs/dbraw/zinc/01/72/02/388017202.db2.gz DEYKPNKSKMBQPE-SDDRHHMPSA-N 1 2 245.750 2.007 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246183864 388017206 /nfs/dbraw/zinc/01/72/06/388017206.db2.gz DEYKPNKSKMBQPE-SDDRHHMPSA-N 1 2 245.750 2.007 20 30 BEEDLO CCN(Cc1[nH+]ccn1C(C)C)C[C@H](C)C#N ZINC000160834395 388092482 /nfs/dbraw/zinc/09/24/82/388092482.db2.gz MCXRALBREMJACD-GFCCVEGCSA-N 1 2 234.347 2.446 20 30 BEEDLO C=C(CC)CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455480780 388161302 /nfs/dbraw/zinc/16/13/02/388161302.db2.gz ONFJIWYFTMQYEF-WDEREUQCSA-N 1 2 248.330 2.154 20 30 BEEDLO COc1cc(C)ccc1C[NH2+]CCC#N ZINC000449286367 388167732 /nfs/dbraw/zinc/16/77/32/388167732.db2.gz HHMQCVUDDNLXEU-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO C=CCC(CC=C)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646258297 388171520 /nfs/dbraw/zinc/17/15/20/388171520.db2.gz NXTHHGLXIMPSQF-UHFFFAOYSA-N 1 2 245.326 2.063 20 30 BEEDLO C=CCC(CC=C)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646258297 388171522 /nfs/dbraw/zinc/17/15/22/388171522.db2.gz NXTHHGLXIMPSQF-UHFFFAOYSA-N 1 2 245.326 2.063 20 30 BEEDLO C=CCCCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454879465 388138506 /nfs/dbraw/zinc/13/85/06/388138506.db2.gz VRMOIDLFAXYIKO-QWRGUYRKSA-N 1 2 248.330 2.154 20 30 BEEDLO CCN(CCSC)c1cc(C)[nH+]cc1C#N ZINC000591999055 388145040 /nfs/dbraw/zinc/14/50/40/388145040.db2.gz HGFIDSSXYKDOLK-UHFFFAOYSA-N 1 2 235.356 2.451 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cc(C#N)ccc1F ZINC000490742426 388252996 /nfs/dbraw/zinc/25/29/96/388252996.db2.gz XOARVXGUFIPXEJ-UHFFFAOYSA-N 1 2 216.259 2.152 20 30 BEEDLO C#CC[N@H+](CC)Cc1cc(C#N)ccc1F ZINC000490742426 388252999 /nfs/dbraw/zinc/25/29/99/388252999.db2.gz XOARVXGUFIPXEJ-UHFFFAOYSA-N 1 2 216.259 2.152 20 30 BEEDLO C#CC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000490890985 388257974 /nfs/dbraw/zinc/25/79/74/388257974.db2.gz ATSYVHOQGNQTPO-UHFFFAOYSA-N 1 2 228.320 2.329 20 30 BEEDLO C=CC(C)(C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456332441 388195542 /nfs/dbraw/zinc/19/55/42/388195542.db2.gz HXNCZUSIZNRNEG-SNVBAGLBSA-N 1 2 235.331 2.292 20 30 BEEDLO C=CCn1cccc1C(=O)Nc1cc[nH+]cc1C ZINC000488869620 388197450 /nfs/dbraw/zinc/19/74/50/388197450.db2.gz LYKHGOZYVIYUFG-UHFFFAOYSA-N 1 2 241.294 2.052 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cccs1 ZINC000490917167 388260055 /nfs/dbraw/zinc/26/00/55/388260055.db2.gz WDBOYTKVFLCODG-UHFFFAOYSA-N 1 2 203.310 2.207 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cccs1 ZINC000490917167 388260057 /nfs/dbraw/zinc/26/00/57/388260057.db2.gz WDBOYTKVFLCODG-UHFFFAOYSA-N 1 2 203.310 2.207 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cc(F)ccc1F ZINC000491326353 388285556 /nfs/dbraw/zinc/28/55/56/388285556.db2.gz MHKXJYNYSJHJEF-VIFPVBQESA-N 1 2 209.239 2.418 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(F)ccc1F ZINC000491326353 388285558 /nfs/dbraw/zinc/28/55/58/388285558.db2.gz MHKXJYNYSJHJEF-VIFPVBQESA-N 1 2 209.239 2.418 20 30 BEEDLO C#CC[N@@H+](Cc1ccc(F)cc1C#N)C1CC1 ZINC000491348613 388287176 /nfs/dbraw/zinc/28/71/76/388287176.db2.gz DROSUGORTGIVIB-UHFFFAOYSA-N 1 2 228.270 2.295 20 30 BEEDLO C#CC[N@H+](Cc1ccc(F)cc1C#N)C1CC1 ZINC000491348613 388287177 /nfs/dbraw/zinc/28/71/77/388287177.db2.gz DROSUGORTGIVIB-UHFFFAOYSA-N 1 2 228.270 2.295 20 30 BEEDLO C#CC[N@@H+](Cc1cnc(Cl)c(F)c1)C1CC1 ZINC000491465698 388296942 /nfs/dbraw/zinc/29/69/42/388296942.db2.gz XIGHZTIXVFVIRT-UHFFFAOYSA-N 1 2 238.693 2.472 20 30 BEEDLO C#CC[N@H+](Cc1cnc(Cl)c(F)c1)C1CC1 ZINC000491465698 388296944 /nfs/dbraw/zinc/29/69/44/388296944.db2.gz XIGHZTIXVFVIRT-UHFFFAOYSA-N 1 2 238.693 2.472 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1C/C=C/c1ccccc1 ZINC000491554760 388303580 /nfs/dbraw/zinc/30/35/80/388303580.db2.gz LWRHJDLBCQTSPB-PPYMECGQSA-N 1 2 227.307 2.034 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1C/C=C/c1ccccc1 ZINC000491554760 388303581 /nfs/dbraw/zinc/30/35/81/388303581.db2.gz LWRHJDLBCQTSPB-PPYMECGQSA-N 1 2 227.307 2.034 20 30 BEEDLO C#CC[N@@H+](Cc1ccnc(Cl)c1F)C1CC1 ZINC000491631323 388306710 /nfs/dbraw/zinc/30/67/10/388306710.db2.gz NYKLTPKOODMAED-UHFFFAOYSA-N 1 2 238.693 2.472 20 30 BEEDLO C#CC[N@H+](Cc1ccnc(Cl)c1F)C1CC1 ZINC000491631323 388306711 /nfs/dbraw/zinc/30/67/11/388306711.db2.gz NYKLTPKOODMAED-UHFFFAOYSA-N 1 2 238.693 2.472 20 30 BEEDLO C#CC[N@@H+](C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000491635407 388307012 /nfs/dbraw/zinc/30/70/12/388307012.db2.gz SIYUHZUVLSMFFC-UHFFFAOYSA-N 1 2 241.294 2.110 20 30 BEEDLO C#CC[N@H+](C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000491635407 388307013 /nfs/dbraw/zinc/30/70/13/388307013.db2.gz SIYUHZUVLSMFFC-UHFFFAOYSA-N 1 2 241.294 2.110 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CC1CCC(F)(F)CC1 ZINC000491658477 388308944 /nfs/dbraw/zinc/30/89/44/388308944.db2.gz BRQRRTAVPYCGEM-GFCCVEGCSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CC1CCC(F)(F)CC1 ZINC000491658477 388308945 /nfs/dbraw/zinc/30/89/45/388308945.db2.gz BRQRRTAVPYCGEM-GFCCVEGCSA-N 1 2 243.297 2.146 20 30 BEEDLO C#CC[NH+](CC#C)C[C@]1(C)CC1(Cl)Cl ZINC000491702569 388312827 /nfs/dbraw/zinc/31/28/27/388312827.db2.gz WBGNSMWUWDFRBN-JTQLQIEISA-N 1 2 230.138 2.139 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1oc(CCC)nc1C ZINC000491725015 388315062 /nfs/dbraw/zinc/31/50/62/388315062.db2.gz HLIRQYAODLDLBC-UHFFFAOYSA-N 1 2 244.338 2.394 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1oc(CCC)nc1C ZINC000491725015 388315063 /nfs/dbraw/zinc/31/50/63/388315063.db2.gz HLIRQYAODLDLBC-UHFFFAOYSA-N 1 2 244.338 2.394 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(CC)n1 ZINC000491738085 388316602 /nfs/dbraw/zinc/31/66/02/388316602.db2.gz OQXWNYNOPIBPQF-SECBINFHSA-N 1 2 208.330 2.159 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(CC)n1 ZINC000491738085 388316603 /nfs/dbraw/zinc/31/66/03/388316603.db2.gz OQXWNYNOPIBPQF-SECBINFHSA-N 1 2 208.330 2.159 20 30 BEEDLO C#C[C@@H](CC)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000491192268 388275711 /nfs/dbraw/zinc/27/57/11/388275711.db2.gz MWQVOEXZFITUII-NSHDSACASA-N 1 2 231.299 2.232 20 30 BEEDLO C=CCCCN(C)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492452302 388344261 /nfs/dbraw/zinc/34/42/61/388344261.db2.gz CYBOMWCSMUJVFR-CMDGGOBGSA-N 1 2 247.342 2.341 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000164673414 388396463 /nfs/dbraw/zinc/39/64/63/388396463.db2.gz LWTFGYJXOPGPHF-UHFFFAOYSA-N 1 2 239.300 2.296 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C#N)cc1OC ZINC000572982256 388401984 /nfs/dbraw/zinc/40/19/84/388401984.db2.gz PUFVRCXMXVNFOF-CYBMUJFWSA-N 1 2 243.310 2.349 20 30 BEEDLO C=C(C)CN(CC)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492277603 388340152 /nfs/dbraw/zinc/34/01/52/388340152.db2.gz OMMPISTUKCWNFM-FPLPWBNLSA-N 1 2 247.342 2.341 20 30 BEEDLO COCC[N@H+](CC#N)C[C@@H]1CCC[C@@H](C)C1 ZINC000316537787 388416036 /nfs/dbraw/zinc/41/60/36/388416036.db2.gz AFJGEKYTHQTOEG-CHWSQXEVSA-N 1 2 224.348 2.285 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@@H]1CCC[C@@H](C)C1 ZINC000316537787 388416037 /nfs/dbraw/zinc/41/60/37/388416037.db2.gz AFJGEKYTHQTOEG-CHWSQXEVSA-N 1 2 224.348 2.285 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(CO)ccc1F ZINC000528518109 388540894 /nfs/dbraw/zinc/54/08/94/388540894.db2.gz GEQFGEATYUFKSC-GFCCVEGCSA-N 1 2 236.290 2.100 20 30 BEEDLO CC[N@H+](CC#N)CC1Cc2ccccc2C1 ZINC000516903454 388524094 /nfs/dbraw/zinc/52/40/94/388524094.db2.gz ZZSARCPOXRKTAT-UHFFFAOYSA-N 1 2 214.312 2.247 20 30 BEEDLO CC[N@@H+](CC#N)CC1Cc2ccccc2C1 ZINC000516903454 388524095 /nfs/dbraw/zinc/52/40/95/388524095.db2.gz ZZSARCPOXRKTAT-UHFFFAOYSA-N 1 2 214.312 2.247 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc(C)c2ccccc2n1 ZINC000550502096 388609393 /nfs/dbraw/zinc/60/93/93/388609393.db2.gz AVYRKSATZRMJCJ-UHFFFAOYSA-N 1 2 239.322 2.393 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc(C)c2ccccc2n1 ZINC000550502096 388609396 /nfs/dbraw/zinc/60/93/96/388609396.db2.gz AVYRKSATZRMJCJ-UHFFFAOYSA-N 1 2 239.322 2.393 20 30 BEEDLO C=C(CC)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000522010432 388674886 /nfs/dbraw/zinc/67/48/86/388674886.db2.gz CVFYOLIMWWDKBF-UHFFFAOYSA-N 1 2 230.311 2.407 20 30 BEEDLO C=C(CC)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000522010432 388674889 /nfs/dbraw/zinc/67/48/89/388674889.db2.gz CVFYOLIMWWDKBF-UHFFFAOYSA-N 1 2 230.311 2.407 20 30 BEEDLO C[C@H]1CC[C@@H](C[N@@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000405095381 388637970 /nfs/dbraw/zinc/63/79/70/388637970.db2.gz ZAFBIKAVMDIIMH-FZMZJTMJSA-N 1 2 242.322 2.441 20 30 BEEDLO C[C@H]1CC[C@@H](C[N@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000405095381 388637973 /nfs/dbraw/zinc/63/79/73/388637973.db2.gz ZAFBIKAVMDIIMH-FZMZJTMJSA-N 1 2 242.322 2.441 20 30 BEEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(F)cc1C#N ZINC000111026729 388652788 /nfs/dbraw/zinc/65/27/88/388652788.db2.gz UOIOYMQRVULFGM-JTQLQIEISA-N 1 2 244.273 2.394 20 30 BEEDLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037886433 388744711 /nfs/dbraw/zinc/74/47/11/388744711.db2.gz HEHQFXRPAYJOSZ-SNVBAGLBSA-N 1 2 240.310 2.441 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccccc1C#N ZINC000156022907 388786073 /nfs/dbraw/zinc/78/60/73/388786073.db2.gz UDRFWOGBRCGXKV-NEPJUHHUSA-N 1 2 230.311 2.167 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccccc1C#N ZINC000156022907 388786074 /nfs/dbraw/zinc/78/60/74/388786074.db2.gz UDRFWOGBRCGXKV-NEPJUHHUSA-N 1 2 230.311 2.167 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(C#N)c1F ZINC000566018249 388983334 /nfs/dbraw/zinc/98/33/34/388983334.db2.gz YOGWRDGNKLBLNE-GFCCVEGCSA-N 1 2 231.274 2.479 20 30 BEEDLO C#CCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000272931263 389035148 /nfs/dbraw/zinc/03/51/48/389035148.db2.gz VIUZGPORWGIWIS-UHFFFAOYSA-N 1 2 215.300 2.099 20 30 BEEDLO CCn1cc[nH+]c1CN(C[C@@H](C)C#N)C1CC1 ZINC000336715398 133538183 /nfs/dbraw/zinc/53/81/83/133538183.db2.gz UUSYFMPGYKJTNS-NSHDSACASA-N 1 2 232.331 2.027 20 30 BEEDLO N#Cc1csc(C[NH+]2CCC(CF)CC2)n1 ZINC000336210500 134134424 /nfs/dbraw/zinc/13/44/24/134134424.db2.gz WKIJHYFIXZIURP-UHFFFAOYSA-N 1 2 239.319 2.196 20 30 BEEDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCC#N)C1 ZINC000336283706 134142194 /nfs/dbraw/zinc/14/21/94/134142194.db2.gz NXCAOHHOUOMLHK-WCQYABFASA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCC#N)C1 ZINC000336283706 134142195 /nfs/dbraw/zinc/14/21/95/134142195.db2.gz NXCAOHHOUOMLHK-WCQYABFASA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCC#N)C1 ZINC000336283705 134142258 /nfs/dbraw/zinc/14/22/58/134142258.db2.gz NXCAOHHOUOMLHK-DGCLKSJQSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCC#N)C1 ZINC000336283705 134142259 /nfs/dbraw/zinc/14/22/59/134142259.db2.gz NXCAOHHOUOMLHK-DGCLKSJQSA-N 1 2 215.300 2.378 20 30 BEEDLO Cc1noc(C)c1C[NH+]1CCC(F)(C#N)CC1 ZINC000352448941 134145430 /nfs/dbraw/zinc/14/54/30/134145430.db2.gz JWPRAZLCKLMNSJ-UHFFFAOYSA-N 1 2 237.278 2.119 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000336582911 134150675 /nfs/dbraw/zinc/15/06/75/134150675.db2.gz WCDJCXQDRUDYOS-SNVBAGLBSA-N 1 2 209.318 2.079 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000336582911 134150676 /nfs/dbraw/zinc/15/06/76/134150676.db2.gz WCDJCXQDRUDYOS-SNVBAGLBSA-N 1 2 209.318 2.079 20 30 BEEDLO CCC[N@H+](CC#N)C[C@@H]1CCO[C@H](C)C1 ZINC000352714223 134151410 /nfs/dbraw/zinc/15/14/10/134151410.db2.gz BEVVDIXUBRKMHW-VXGBXAGGSA-N 1 2 210.321 2.037 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@@H]1CCO[C@H](C)C1 ZINC000352714223 134151411 /nfs/dbraw/zinc/15/14/11/134151411.db2.gz BEVVDIXUBRKMHW-VXGBXAGGSA-N 1 2 210.321 2.037 20 30 BEEDLO Cc1noc(C)c1C(C)(C)[NH2+]CC1(C#N)CC1 ZINC000353545609 134164409 /nfs/dbraw/zinc/16/44/09/134164409.db2.gz SSZIYMLHGKSCNQ-UHFFFAOYSA-N 1 2 233.315 2.420 20 30 BEEDLO CC[C@H]1C[C@@H](C[N@H+](CC)CC#N)CCO1 ZINC000356976416 134181813 /nfs/dbraw/zinc/18/18/13/134181813.db2.gz CPRIEQQKKAYFIU-RYUDHWBXSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[C@H]1C[C@@H](C[N@@H+](CC)CC#N)CCO1 ZINC000356976416 134181814 /nfs/dbraw/zinc/18/18/14/134181814.db2.gz CPRIEQQKKAYFIU-RYUDHWBXSA-N 1 2 210.321 2.037 20 30 BEEDLO Cc1ccncc1C[N@H+](C)C[C@H](C#N)CCC#N ZINC000361414105 134205150 /nfs/dbraw/zinc/20/51/50/134205150.db2.gz UERLEXQLPPULKM-ZDUSSCGKSA-N 1 2 242.326 2.265 20 30 BEEDLO Cc1ccncc1C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000361414105 134205151 /nfs/dbraw/zinc/20/51/51/134205151.db2.gz UERLEXQLPPULKM-ZDUSSCGKSA-N 1 2 242.326 2.265 20 30 BEEDLO C=C(C)COCCNC(=O)Nc1cc[nH+]cc1C ZINC000120798418 134230331 /nfs/dbraw/zinc/23/03/31/134230331.db2.gz YCRUFHWPUONZIS-UHFFFAOYSA-N 1 2 249.314 2.104 20 30 BEEDLO N#Cc1cccc(C[NH+]2CCSCC2)c1F ZINC000219516434 134285400 /nfs/dbraw/zinc/28/54/00/134285400.db2.gz ZBXIQMOENWACSV-UHFFFAOYSA-N 1 2 236.315 2.246 20 30 BEEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000223127915 134337163 /nfs/dbraw/zinc/33/71/63/134337163.db2.gz OUWQQHFMVGEIAI-ZWNOBZJWSA-N 1 2 234.274 2.313 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1ccnn1C(C)C ZINC000337261742 135010800 /nfs/dbraw/zinc/01/08/00/135010800.db2.gz WKFRDVBUSVAXOV-UHFFFAOYSA-N 1 2 237.347 2.098 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1ccnn1C(C)C ZINC000337261742 135010803 /nfs/dbraw/zinc/01/08/03/135010803.db2.gz WKFRDVBUSVAXOV-UHFFFAOYSA-N 1 2 237.347 2.098 20 30 BEEDLO N#CCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337403668 135016114 /nfs/dbraw/zinc/01/61/14/135016114.db2.gz LSMITTFLHNUMLB-VIFPVBQESA-N 1 2 202.248 2.410 20 30 BEEDLO N#CCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337403668 135016116 /nfs/dbraw/zinc/01/61/16/135016116.db2.gz LSMITTFLHNUMLB-VIFPVBQESA-N 1 2 202.248 2.410 20 30 BEEDLO C[C@H](C#N)C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000337536711 135018746 /nfs/dbraw/zinc/01/87/46/135018746.db2.gz NHJAIXVSXHKBGK-SECBINFHSA-N 1 2 247.298 2.357 20 30 BEEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000336234007 135069704 /nfs/dbraw/zinc/06/97/04/135069704.db2.gz CKHAXXCMXXQAJQ-CYBMUJFWSA-N 1 2 244.342 2.251 20 30 BEEDLO Cn1nccc1[C@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000336234007 135069706 /nfs/dbraw/zinc/06/97/06/135069706.db2.gz CKHAXXCMXXQAJQ-CYBMUJFWSA-N 1 2 244.342 2.251 20 30 BEEDLO N#CC[N@H+](CCc1ccccn1)C1CCCC1 ZINC000078003583 135089942 /nfs/dbraw/zinc/08/99/42/135089942.db2.gz XCRCKHIDTGIBQF-UHFFFAOYSA-N 1 2 229.327 2.392 20 30 BEEDLO N#CC[N@@H+](CCc1ccccn1)C1CCCC1 ZINC000078003583 135089943 /nfs/dbraw/zinc/08/99/43/135089943.db2.gz XCRCKHIDTGIBQF-UHFFFAOYSA-N 1 2 229.327 2.392 20 30 BEEDLO COc1ccccc1C[N@H+](C)CC1(C#N)CC1 ZINC000258989687 135104408 /nfs/dbraw/zinc/10/44/08/135104408.db2.gz VMBIZLAXBXESHK-UHFFFAOYSA-N 1 2 230.311 2.431 20 30 BEEDLO COc1ccccc1C[N@@H+](C)CC1(C#N)CC1 ZINC000258989687 135104411 /nfs/dbraw/zinc/10/44/11/135104411.db2.gz VMBIZLAXBXESHK-UHFFFAOYSA-N 1 2 230.311 2.431 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000259831330 135105079 /nfs/dbraw/zinc/10/50/79/135105079.db2.gz DWPYECFUNDXNGZ-QWRGUYRKSA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000259831330 135105081 /nfs/dbraw/zinc/10/50/81/135105081.db2.gz DWPYECFUNDXNGZ-QWRGUYRKSA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264565705 135139031 /nfs/dbraw/zinc/13/90/31/135139031.db2.gz PSMRJRBAGPCJBK-LBPRGKRZSA-N 1 2 243.310 2.180 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264565705 135139033 /nfs/dbraw/zinc/13/90/33/135139033.db2.gz PSMRJRBAGPCJBK-LBPRGKRZSA-N 1 2 243.310 2.180 20 30 BEEDLO N#CCC1CCN(c2cccc[nH+]2)CC1 ZINC000259661862 135144282 /nfs/dbraw/zinc/14/42/82/135144282.db2.gz AENVEZNJIZCXHN-UHFFFAOYSA-N 1 2 201.273 2.212 20 30 BEEDLO Cc1ccc([C@@H](O)C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000266549342 135147989 /nfs/dbraw/zinc/14/79/89/135147989.db2.gz SXZOTOQEYIRDHP-JSGCOSHPSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1ccc([C@@H](O)C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000266549342 135147990 /nfs/dbraw/zinc/14/79/90/135147990.db2.gz SXZOTOQEYIRDHP-JSGCOSHPSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1ccc([C@H](O)C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000266549344 135148008 /nfs/dbraw/zinc/14/80/08/135148008.db2.gz SXZOTOQEYIRDHP-TZMCWYRMSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1ccc([C@H](O)C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000266549344 135148009 /nfs/dbraw/zinc/14/80/09/135148009.db2.gz SXZOTOQEYIRDHP-TZMCWYRMSA-N 1 2 232.327 2.120 20 30 BEEDLO C=CC[N@H+](CCC#N)[C@@H]1CC[C@H](C#N)C1 ZINC000293507754 135181476 /nfs/dbraw/zinc/18/14/76/135181476.db2.gz HWHRGAMVWHAGOG-NWDGAFQWSA-N 1 2 203.289 2.080 20 30 BEEDLO C=CC[N@@H+](CCC#N)[C@@H]1CC[C@H](C#N)C1 ZINC000293507754 135181477 /nfs/dbraw/zinc/18/14/77/135181477.db2.gz HWHRGAMVWHAGOG-NWDGAFQWSA-N 1 2 203.289 2.080 20 30 BEEDLO CCC[C@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000294962420 135188142 /nfs/dbraw/zinc/18/81/42/135188142.db2.gz LDJMVIFJPHIIBS-LBPRGKRZSA-N 1 2 236.315 2.156 20 30 BEEDLO CCC[C@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000294962420 135188144 /nfs/dbraw/zinc/18/81/44/135188144.db2.gz LDJMVIFJPHIIBS-LBPRGKRZSA-N 1 2 236.315 2.156 20 30 BEEDLO Cc1cc(O)c(C[NH+]2CC(C)(C#N)C2)cc1C ZINC000297458181 135195827 /nfs/dbraw/zinc/19/58/27/135195827.db2.gz PUNGEJHNLOMYKP-UHFFFAOYSA-N 1 2 230.311 2.355 20 30 BEEDLO COc1cccc(C[N@H+](C)C[C@@H](C)C#N)c1OC ZINC000298660999 135200176 /nfs/dbraw/zinc/20/01/76/135200176.db2.gz DSPCRXVKYMCAMT-NSHDSACASA-N 1 2 248.326 2.295 20 30 BEEDLO COc1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1OC ZINC000298660999 135200178 /nfs/dbraw/zinc/20/01/78/135200178.db2.gz DSPCRXVKYMCAMT-NSHDSACASA-N 1 2 248.326 2.295 20 30 BEEDLO C=CCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000121015963 135221101 /nfs/dbraw/zinc/22/11/01/135221101.db2.gz YDNCNXAKTNCVMD-GFCCVEGCSA-N 1 2 249.310 2.129 20 30 BEEDLO C=CCC[N@H+]1CCOC[C@H]1CC(=O)c1ccco1 ZINC000121015963 135221102 /nfs/dbraw/zinc/22/11/02/135221102.db2.gz YDNCNXAKTNCVMD-GFCCVEGCSA-N 1 2 249.310 2.129 20 30 BEEDLO Cc1cc(C)n(CC[N@H+](CC#N)C2CCCC2)n1 ZINC000265635619 135363369 /nfs/dbraw/zinc/36/33/69/135363369.db2.gz HLAFYRMFEVMJKN-UHFFFAOYSA-N 1 2 246.358 2.268 20 30 BEEDLO Cc1cc(C)n(CC[N@@H+](CC#N)C2CCCC2)n1 ZINC000265635619 135363371 /nfs/dbraw/zinc/36/33/71/135363371.db2.gz HLAFYRMFEVMJKN-UHFFFAOYSA-N 1 2 246.358 2.268 20 30 BEEDLO Cc1cc(N)nc(S[C@H]2CC[C@H](C#N)C2)[nH+]1 ZINC000278538162 135368169 /nfs/dbraw/zinc/36/81/69/135368169.db2.gz JKXSRCXSYADNOR-IUCAKERBSA-N 1 2 234.328 2.152 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(Cl)n1 ZINC000075682695 135391623 /nfs/dbraw/zinc/39/16/23/135391623.db2.gz YJFTXFDKRKEABF-SECBINFHSA-N 1 2 223.707 2.326 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(Cl)n1 ZINC000075682695 135391624 /nfs/dbraw/zinc/39/16/24/135391624.db2.gz YJFTXFDKRKEABF-SECBINFHSA-N 1 2 223.707 2.326 20 30 BEEDLO CCc1ccc(C[N@H+](C)[C@H](C)CC#N)cn1 ZINC000347765028 136008570 /nfs/dbraw/zinc/00/85/70/136008570.db2.gz CIGWKODXTLUQQE-LLVKDONJSA-N 1 2 217.316 2.378 20 30 BEEDLO CCc1ccc(C[N@@H+](C)[C@H](C)CC#N)cn1 ZINC000347765028 136008571 /nfs/dbraw/zinc/00/85/71/136008571.db2.gz CIGWKODXTLUQQE-LLVKDONJSA-N 1 2 217.316 2.378 20 30 BEEDLO C=CC[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000348284022 136060007 /nfs/dbraw/zinc/06/00/07/136060007.db2.gz FHSGOPABFOXXKM-NSHDSACASA-N 1 2 243.310 2.497 20 30 BEEDLO CC1(C(N)=O)C[NH+](Cc2cccc(C#N)c2F)C1 ZINC000335394787 136092106 /nfs/dbraw/zinc/09/21/06/136092106.db2.gz JQVPELXTRCHJPH-UHFFFAOYSA-N 1 2 247.273 2.055 20 30 BEEDLO C=C[C@H](CO)[NH2+]Cc1nccc(Cl)c1Cl ZINC001647838496 1172771214 /nfs/dbraw/zinc/77/12/14/1172771214.db2.gz UPLAAPYHIBFSGE-SSDOTTSWSA-N 1 2 247.125 2.025 20 30 BEEDLO N#CCCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000192304131 397893123 /nfs/dbraw/zinc/89/31/23/397893123.db2.gz QGVBCZXNFKPVOM-UHFFFAOYSA-N 1 2 245.330 2.183 20 30 BEEDLO N#CCCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000192304131 397893125 /nfs/dbraw/zinc/89/31/25/397893125.db2.gz QGVBCZXNFKPVOM-UHFFFAOYSA-N 1 2 245.330 2.183 20 30 BEEDLO CC(=O)Nc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000271130699 397962864 /nfs/dbraw/zinc/96/28/64/397962864.db2.gz OBBOENULYRDXRM-NSHDSACASA-N 1 2 245.326 2.236 20 30 BEEDLO CC(=O)Nc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000271130699 397962866 /nfs/dbraw/zinc/96/28/66/397962866.db2.gz OBBOENULYRDXRM-NSHDSACASA-N 1 2 245.326 2.236 20 30 BEEDLO C=CCN(CC=C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000649571710 397962926 /nfs/dbraw/zinc/96/29/26/397962926.db2.gz UHJRLLSRBXEVSH-GFCCVEGCSA-N 1 2 233.315 2.035 20 30 BEEDLO CCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595611835 397992265 /nfs/dbraw/zinc/99/22/65/397992265.db2.gz NWJCAQFWLDXPHY-MNOVXSKESA-N 1 2 248.330 2.319 20 30 BEEDLO CCc1noc([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595611835 397992269 /nfs/dbraw/zinc/99/22/69/397992269.db2.gz NWJCAQFWLDXPHY-MNOVXSKESA-N 1 2 248.330 2.319 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cncc(Cl)c1 ZINC000598594389 398031915 /nfs/dbraw/zinc/03/19/15/398031915.db2.gz GGQIYKYZGSIFSC-UHFFFAOYSA-N 1 2 223.707 2.471 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cncc(Cl)c1 ZINC000598594389 398031918 /nfs/dbraw/zinc/03/19/18/398031918.db2.gz GGQIYKYZGSIFSC-UHFFFAOYSA-N 1 2 223.707 2.471 20 30 BEEDLO C#CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000192232637 398107207 /nfs/dbraw/zinc/10/72/07/398107207.db2.gz PLKXSMNUVIZKJV-NSHDSACASA-N 1 2 241.294 2.363 20 30 BEEDLO C#CC[N@H+](C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000192232637 398107212 /nfs/dbraw/zinc/10/72/12/398107212.db2.gz PLKXSMNUVIZKJV-NSHDSACASA-N 1 2 241.294 2.363 20 30 BEEDLO C=CCC(CC=C)C(=O)Nc1cc[nH+]cc1O ZINC000162899806 398134217 /nfs/dbraw/zinc/13/42/17/398134217.db2.gz RNMYOXVIDIZQFJ-UHFFFAOYSA-N 1 2 232.283 2.494 20 30 BEEDLO Cc1nc(NCc2ccc(CC#N)cc2)cc[nH+]1 ZINC001651984720 1173019305 /nfs/dbraw/zinc/01/93/05/1173019305.db2.gz YWEWPBZSXYXVLQ-UHFFFAOYSA-N 1 2 238.294 2.463 20 30 BEEDLO Cc1cc(C[N@H+](CCC#N)CC2CC2)on1 ZINC000081514597 410075723 /nfs/dbraw/zinc/07/57/23/410075723.db2.gz MEXGUKIONJBIKE-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1cc(C[N@@H+](CCC#N)CC2CC2)on1 ZINC000081514597 410075729 /nfs/dbraw/zinc/07/57/29/410075729.db2.gz MEXGUKIONJBIKE-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO C=CCCN(C)C(=O)Nc1cc[nH+]cc1C ZINC000276184320 166253207 /nfs/dbraw/zinc/25/32/07/166253207.db2.gz WCCMQMABBGHNSH-UHFFFAOYSA-N 1 2 219.288 2.430 20 30 BEEDLO C=CCCN(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000276339468 166260864 /nfs/dbraw/zinc/26/08/64/166260864.db2.gz RYSDDZBJWDGWQU-UHFFFAOYSA-N 1 2 232.331 2.311 20 30 BEEDLO C=CCCN(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000276339468 166260866 /nfs/dbraw/zinc/26/08/66/166260866.db2.gz RYSDDZBJWDGWQU-UHFFFAOYSA-N 1 2 232.331 2.311 20 30 BEEDLO C=CCC[N@@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000273083671 166261921 /nfs/dbraw/zinc/26/19/21/166261921.db2.gz LRFSNIADQGCJIU-UHFFFAOYSA-N 1 2 249.310 2.251 20 30 BEEDLO C=CCC[N@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000273083671 166261923 /nfs/dbraw/zinc/26/19/23/166261923.db2.gz LRFSNIADQGCJIU-UHFFFAOYSA-N 1 2 249.310 2.251 20 30 BEEDLO C=CCCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273977524 166305840 /nfs/dbraw/zinc/30/58/40/166305840.db2.gz RCKDHKOGEVQKJY-UHFFFAOYSA-N 1 2 229.283 2.482 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cc(C(=O)OC)co1 ZINC000171109105 166335245 /nfs/dbraw/zinc/33/52/45/166335245.db2.gz VFFNNZBFJXSHIG-UHFFFAOYSA-N 1 2 235.283 2.240 20 30 BEEDLO C=CC[N@H+](CCc1ccco1)Cc1ncc[nH]1 ZINC000272323256 166344924 /nfs/dbraw/zinc/34/49/24/166344924.db2.gz UUKRGKJKMGBIQL-UHFFFAOYSA-N 1 2 231.299 2.233 20 30 BEEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncc[nH]1 ZINC000272323256 166344925 /nfs/dbraw/zinc/34/49/25/166344925.db2.gz UUKRGKJKMGBIQL-UHFFFAOYSA-N 1 2 231.299 2.233 20 30 BEEDLO C=CC[N@@H+](Cc1ncnn1CC(C)C)C1CC1 ZINC000272466565 166348034 /nfs/dbraw/zinc/34/80/34/166348034.db2.gz KXJCOFCJEGVKIX-UHFFFAOYSA-N 1 2 234.347 2.085 20 30 BEEDLO C=CC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000058011791 166361986 /nfs/dbraw/zinc/36/19/86/166361986.db2.gz FCRAPOFBKXBPCY-UHFFFAOYSA-N 1 2 201.269 2.391 20 30 BEEDLO C=CC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000058011791 166361987 /nfs/dbraw/zinc/36/19/87/166361987.db2.gz FCRAPOFBKXBPCY-UHFFFAOYSA-N 1 2 201.269 2.391 20 30 BEEDLO C=CCCCNc1nc[nH+]c(C)c1OC ZINC000656182736 411195287 /nfs/dbraw/zinc/19/52/87/411195287.db2.gz ZAVFFAMSJBHOND-UHFFFAOYSA-N 1 2 207.277 2.172 20 30 BEEDLO CC1(O)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000126793191 168067249 /nfs/dbraw/zinc/06/72/49/168067249.db2.gz MMXRFBXUDBYDPM-UHFFFAOYSA-N 1 2 248.301 2.044 20 30 BEEDLO C=CCCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661411916 411770943 /nfs/dbraw/zinc/77/09/43/411770943.db2.gz CBVVNJPXFCOPIE-JTQLQIEISA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661411916 411770946 /nfs/dbraw/zinc/77/09/46/411770946.db2.gz CBVVNJPXFCOPIE-JTQLQIEISA-N 1 2 219.275 2.045 20 30 BEEDLO COCC#CC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515036 411793991 /nfs/dbraw/zinc/79/39/91/411793991.db2.gz UIPWQFOXQVTDFP-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO COCC#CC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515036 411793995 /nfs/dbraw/zinc/79/39/95/411793995.db2.gz UIPWQFOXQVTDFP-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO C=CCOCCOc1ccc2c(c1)[nH+]c(C)n2C ZINC000664046922 411827396 /nfs/dbraw/zinc/82/73/96/411827396.db2.gz SPRLWWKDUCMYEQ-UHFFFAOYSA-N 1 2 246.310 2.463 20 30 BEEDLO C=CCCNc1cc(NCCCC)[nH+]c(N)n1 ZINC000664226166 411889831 /nfs/dbraw/zinc/88/98/31/411889831.db2.gz BPTBEVXODJTRPL-UHFFFAOYSA-N 1 2 235.335 2.259 20 30 BEEDLO C=CCCNc1cc(NCCCC)nc(N)[nH+]1 ZINC000664226166 411889833 /nfs/dbraw/zinc/88/98/33/411889833.db2.gz BPTBEVXODJTRPL-UHFFFAOYSA-N 1 2 235.335 2.259 20 30 BEEDLO C=CC[N@@H+](Cc1ncnn1CC)C(C)(C)C ZINC000661760500 411871142 /nfs/dbraw/zinc/87/11/42/411871142.db2.gz WIQHRPPYGCQUOL-UHFFFAOYSA-N 1 2 222.336 2.085 20 30 BEEDLO C=CC[N@H+](Cc1ncnn1CC)C(C)(C)C ZINC000661760500 411871146 /nfs/dbraw/zinc/87/11/46/411871146.db2.gz WIQHRPPYGCQUOL-UHFFFAOYSA-N 1 2 222.336 2.085 20 30 BEEDLO C=CC[N@H+](Cc1ncnn1CCF)C(C)(C)C ZINC000661760709 411871856 /nfs/dbraw/zinc/87/18/56/411871856.db2.gz XMEUOTOLZBLGPF-UHFFFAOYSA-N 1 2 240.326 2.034 20 30 BEEDLO C=CC[N@@H+](Cc1ncnn1CCF)C(C)(C)C ZINC000661760709 411871859 /nfs/dbraw/zinc/87/18/59/411871859.db2.gz XMEUOTOLZBLGPF-UHFFFAOYSA-N 1 2 240.326 2.034 20 30 BEEDLO C=C[C@H](CO)[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 ZINC000662167263 412016245 /nfs/dbraw/zinc/01/62/45/412016245.db2.gz XICQCBBWPCDITF-NXEZZACHSA-N 1 2 238.331 2.170 20 30 BEEDLO CC#CC[N@@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662240317 412037454 /nfs/dbraw/zinc/03/74/54/412037454.db2.gz DDWBNMOXTIHZBH-ZJUUUORDSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CC[N@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662240317 412037455 /nfs/dbraw/zinc/03/74/55/412037455.db2.gz DDWBNMOXTIHZBH-ZJUUUORDSA-N 1 2 235.249 2.051 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000092487093 171087828 /nfs/dbraw/zinc/08/78/28/171087828.db2.gz UHPQXQYDPOQSCQ-WDEREUQCSA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000092487093 171087830 /nfs/dbraw/zinc/08/78/30/171087830.db2.gz UHPQXQYDPOQSCQ-WDEREUQCSA-N 1 2 234.299 2.151 20 30 BEEDLO COc1ccccc1C[N@H+](C)[C@@H](C)CC#N ZINC000042315677 175326573 /nfs/dbraw/zinc/32/65/73/175326573.db2.gz ISANQNCFUFRGCR-NSHDSACASA-N 1 2 218.300 2.429 20 30 BEEDLO COc1ccccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000042315677 175326574 /nfs/dbraw/zinc/32/65/74/175326574.db2.gz ISANQNCFUFRGCR-NSHDSACASA-N 1 2 218.300 2.429 20 30 BEEDLO CS[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000335513626 175569817 /nfs/dbraw/zinc/56/98/17/175569817.db2.gz TVIVLECLBBTVGT-NSHDSACASA-N 1 2 233.340 2.203 20 30 BEEDLO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000367630116 176189878 /nfs/dbraw/zinc/18/98/78/176189878.db2.gz DEMQUGIWXFRRMP-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1CCOCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000367630116 176189880 /nfs/dbraw/zinc/18/98/80/176189880.db2.gz DEMQUGIWXFRRMP-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)[C@H](C)CO1 ZINC000035216152 176307994 /nfs/dbraw/zinc/30/79/94/176307994.db2.gz PQKNIMVLHRZBAF-VXGBXAGGSA-N 1 2 230.311 2.167 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)[C@H](C)CO1 ZINC000035216152 176307995 /nfs/dbraw/zinc/30/79/95/176307995.db2.gz PQKNIMVLHRZBAF-VXGBXAGGSA-N 1 2 230.311 2.167 20 30 BEEDLO C[C@@H]1COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000156056493 176335581 /nfs/dbraw/zinc/33/55/81/176335581.db2.gz DWJUGUWWXCFBRK-GFCCVEGCSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@@H]1COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000156056493 176335582 /nfs/dbraw/zinc/33/55/82/176335582.db2.gz DWJUGUWWXCFBRK-GFCCVEGCSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@@H](C2CC2)O1 ZINC000280538633 177262002 /nfs/dbraw/zinc/26/20/02/177262002.db2.gz JBNGMOXCOHATGM-HZMBPMFUSA-N 1 2 246.310 2.151 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@@H](C2CC2)O1 ZINC000280538633 177262003 /nfs/dbraw/zinc/26/20/03/177262003.db2.gz JBNGMOXCOHATGM-HZMBPMFUSA-N 1 2 246.310 2.151 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](C)N1C ZINC000135270379 177263786 /nfs/dbraw/zinc/26/37/86/177263786.db2.gz WSOCUORGVFQLLH-BETUJISGSA-N 1 2 243.354 2.083 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](C)N1C ZINC000135270379 177263787 /nfs/dbraw/zinc/26/37/87/177263787.db2.gz WSOCUORGVFQLLH-BETUJISGSA-N 1 2 243.354 2.083 20 30 BEEDLO CSC1(C[N@@H+]2CC[C@@](F)(C#N)C2)CCC1 ZINC000589513701 487640482 /nfs/dbraw/zinc/64/04/82/487640482.db2.gz UWARBDNDMPQNDW-SNVBAGLBSA-N 1 2 228.336 2.210 20 30 BEEDLO CSC1(C[N@H+]2CC[C@@](F)(C#N)C2)CCC1 ZINC000589513701 487640486 /nfs/dbraw/zinc/64/04/86/487640486.db2.gz UWARBDNDMPQNDW-SNVBAGLBSA-N 1 2 228.336 2.210 20 30 BEEDLO C[C@H]1C[C@H]1C[N@H+](CCC#N)Cc1cccnc1 ZINC000488336570 225377874 /nfs/dbraw/zinc/37/78/74/225377874.db2.gz ZOQKQJXLOJKJER-JSGCOSHPSA-N 1 2 229.327 2.453 20 30 BEEDLO C[C@H]1C[C@H]1C[N@@H+](CCC#N)Cc1cccnc1 ZINC000488336570 225377875 /nfs/dbraw/zinc/37/78/75/225377875.db2.gz ZOQKQJXLOJKJER-JSGCOSHPSA-N 1 2 229.327 2.453 20 30 BEEDLO C=C(C)CN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000679232752 487792664 /nfs/dbraw/zinc/79/26/64/487792664.db2.gz CUZGXWKNTDOLAS-UHFFFAOYSA-N 1 2 233.315 2.160 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000110115921 588612120 /nfs/dbraw/zinc/61/21/20/588612120.db2.gz XHWYNDXKXCTMSS-YUMQZZPRSA-N 1 2 243.656 2.127 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000110115921 588612121 /nfs/dbraw/zinc/61/21/21/588612121.db2.gz XHWYNDXKXCTMSS-YUMQZZPRSA-N 1 2 243.656 2.127 20 30 BEEDLO CCC[C@](C)([NH2+]CCC(C)(C)C#N)C(=O)OC ZINC000131632075 323013294 /nfs/dbraw/zinc/01/32/94/323013294.db2.gz CENXAXPLRMSSOD-ZDUSSCGKSA-N 1 2 240.347 2.248 20 30 BEEDLO CC[C@H](CC#N)[NH2+]CC#Cc1ccc(F)cc1 ZINC000570105005 323050039 /nfs/dbraw/zinc/05/00/39/323050039.db2.gz TVLSPUBLHNCLNY-CQSZACIVSA-N 1 2 230.286 2.459 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnnn1CCCC ZINC000570343261 323056551 /nfs/dbraw/zinc/05/65/51/323056551.db2.gz NPDMZMZEMUSUKB-LBPRGKRZSA-N 1 2 249.362 2.014 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnnn1CCCC ZINC000570343261 323056552 /nfs/dbraw/zinc/05/65/52/323056552.db2.gz NPDMZMZEMUSUKB-LBPRGKRZSA-N 1 2 249.362 2.014 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154874697 323059152 /nfs/dbraw/zinc/05/91/52/323059152.db2.gz WBODJGMSZCLBNK-CQSZACIVSA-N 1 2 229.327 2.477 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154874697 323059153 /nfs/dbraw/zinc/05/91/53/323059153.db2.gz WBODJGMSZCLBNK-CQSZACIVSA-N 1 2 229.327 2.477 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154874808 323059198 /nfs/dbraw/zinc/05/91/98/323059198.db2.gz WBODJGMSZCLBNK-AWEZNQCLSA-N 1 2 229.327 2.477 20 30 BEEDLO N#CCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154874808 323059199 /nfs/dbraw/zinc/05/91/99/323059199.db2.gz WBODJGMSZCLBNK-AWEZNQCLSA-N 1 2 229.327 2.477 20 30 BEEDLO COc1cccc(OCC[N@H+](C)[C@@H](C)CC#N)c1 ZINC000155551446 323062774 /nfs/dbraw/zinc/06/27/74/323062774.db2.gz VEXBWKJMKJISDA-LBPRGKRZSA-N 1 2 248.326 2.308 20 30 BEEDLO COc1cccc(OCC[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000155551446 323062775 /nfs/dbraw/zinc/06/27/75/323062775.db2.gz VEXBWKJMKJISDA-LBPRGKRZSA-N 1 2 248.326 2.308 20 30 BEEDLO Cc1c[nH]c(C(C)(C)NC(=O)CC(C)(C)C#N)[nH+]1 ZINC000563286800 323108653 /nfs/dbraw/zinc/10/86/53/323108653.db2.gz YKSSWIYKHAWMFK-UHFFFAOYSA-N 1 2 248.330 2.009 20 30 BEEDLO CC(=O)c1cc(C[NH+]2CCC(CC#N)CC2)on1 ZINC000563358068 323119545 /nfs/dbraw/zinc/11/95/45/323119545.db2.gz YGCOCAGGDQAQCY-UHFFFAOYSA-N 1 2 247.298 2.003 20 30 BEEDLO N#CCCn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000048546477 323154074 /nfs/dbraw/zinc/15/40/74/323154074.db2.gz RXANIDOKWNAIRD-UHFFFAOYSA-N 1 2 242.238 2.372 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(O)c1 ZINC000112463485 323170383 /nfs/dbraw/zinc/17/03/83/323170383.db2.gz QUHQNYDDTUJYTH-JTQLQIEISA-N 1 2 204.273 2.126 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(O)c1 ZINC000112463485 323170384 /nfs/dbraw/zinc/17/03/84/323170384.db2.gz QUHQNYDDTUJYTH-JTQLQIEISA-N 1 2 204.273 2.126 20 30 BEEDLO C#CC[N@@H+](C)CC(=O)Nc1c(C)cccc1CC ZINC000192225141 323178635 /nfs/dbraw/zinc/17/86/35/323178635.db2.gz ZMEMEAIDVLVDGB-UHFFFAOYSA-N 1 2 244.338 2.061 20 30 BEEDLO C#CC[N@H+](C)CC(=O)Nc1c(C)cccc1CC ZINC000192225141 323178636 /nfs/dbraw/zinc/17/86/36/323178636.db2.gz ZMEMEAIDVLVDGB-UHFFFAOYSA-N 1 2 244.338 2.061 20 30 BEEDLO C=CC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000542020286 323186476 /nfs/dbraw/zinc/18/64/76/323186476.db2.gz ZBSLVJFEPCMIPM-SNVBAGLBSA-N 1 2 231.343 2.462 20 30 BEEDLO N#C[C@@]1(F)CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000615651379 487958404 /nfs/dbraw/zinc/95/84/04/487958404.db2.gz IHFHUUADHDSNDC-RYUDHWBXSA-N 1 2 208.280 2.280 20 30 BEEDLO N#C[C@@]1(F)CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000615651379 487958411 /nfs/dbraw/zinc/95/84/11/487958411.db2.gz IHFHUUADHDSNDC-RYUDHWBXSA-N 1 2 208.280 2.280 20 30 BEEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)o1 ZINC000542618069 325037722 /nfs/dbraw/zinc/03/77/22/325037722.db2.gz IFXBFGHGSAOBNF-VIFPVBQESA-N 1 2 242.282 2.101 20 30 BEEDLO Cc1nnc([C@H](C)[NH2+]Cc2cccc(C#N)c2)o1 ZINC000543544195 325092875 /nfs/dbraw/zinc/09/28/75/325092875.db2.gz WSMZRZRYDPXIBG-VIFPVBQESA-N 1 2 242.282 2.101 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccn(C(C)C)n1 ZINC000565489410 325918661 /nfs/dbraw/zinc/91/86/61/325918661.db2.gz VYCHQTQWBUFCPL-NSHDSACASA-N 1 2 220.320 2.246 20 30 BEEDLO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]CCC#N ZINC000566129232 326000446 /nfs/dbraw/zinc/00/04/46/326000446.db2.gz ATQVVNILDVJFIJ-PELKAZGASA-N 1 2 220.247 2.151 20 30 BEEDLO C=C(CC)C[N@H+](C)[C@@H](C)c1nc(C)no1 ZINC000566419583 326043089 /nfs/dbraw/zinc/04/30/89/326043089.db2.gz VNCUBYDBRNBIBX-VIFPVBQESA-N 1 2 209.293 2.337 20 30 BEEDLO C=C(CC)C[N@@H+](C)[C@@H](C)c1nc(C)no1 ZINC000566419583 326043092 /nfs/dbraw/zinc/04/30/92/326043092.db2.gz VNCUBYDBRNBIBX-VIFPVBQESA-N 1 2 209.293 2.337 20 30 BEEDLO C=C(CC)C[N@H+](C)[C@H](C)c1nc(C)no1 ZINC000566419581 326043414 /nfs/dbraw/zinc/04/34/14/326043414.db2.gz VNCUBYDBRNBIBX-SECBINFHSA-N 1 2 209.293 2.337 20 30 BEEDLO C=C(CC)C[N@@H+](C)[C@H](C)c1nc(C)no1 ZINC000566419581 326043416 /nfs/dbraw/zinc/04/34/16/326043416.db2.gz VNCUBYDBRNBIBX-SECBINFHSA-N 1 2 209.293 2.337 20 30 BEEDLO CC[C@H](CC#N)NCc1[nH+]cc(C)c(OC)c1C ZINC000566428317 326045191 /nfs/dbraw/zinc/04/51/91/326045191.db2.gz DVCTZCADNLQHMV-GFCCVEGCSA-N 1 2 247.342 2.489 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ncc(C)c(OC)c1C ZINC000566428317 326045193 /nfs/dbraw/zinc/04/51/93/326045193.db2.gz DVCTZCADNLQHMV-GFCCVEGCSA-N 1 2 247.342 2.489 20 30 BEEDLO C#CC[N@H+](Cc1nc(C2CC2)no1)C1CCCC1 ZINC000155896506 326213076 /nfs/dbraw/zinc/21/30/76/326213076.db2.gz SSCHEXSWQXRZBR-UHFFFAOYSA-N 1 2 245.326 2.325 20 30 BEEDLO C#CC[N@@H+](Cc1nc(C2CC2)no1)C1CCCC1 ZINC000155896506 326213077 /nfs/dbraw/zinc/21/30/77/326213077.db2.gz SSCHEXSWQXRZBR-UHFFFAOYSA-N 1 2 245.326 2.325 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2ccc(C#N)cc2F)[C@H]1C ZINC000156026871 326217286 /nfs/dbraw/zinc/21/72/86/326217286.db2.gz OYJLSHKBTGDVSV-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2ccc(C#N)cc2F)[C@H]1C ZINC000156026871 326217287 /nfs/dbraw/zinc/21/72/87/326217287.db2.gz OYJLSHKBTGDVSV-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]([NH2+]CCC#N)c1nccn1-c1ccccc1 ZINC000567707291 326249154 /nfs/dbraw/zinc/24/91/54/326249154.db2.gz PKULMJDGWZYDBX-GFCCVEGCSA-N 1 2 240.310 2.437 20 30 BEEDLO COc1cc(C[NH2+]CC(C)(F)F)ccc1C#N ZINC000573150097 326432481 /nfs/dbraw/zinc/43/24/81/326432481.db2.gz AQWCRBYJRDKRFJ-UHFFFAOYSA-N 1 2 240.253 2.312 20 30 BEEDLO C=C(C)[C@H](CO)Sc1[nH+]cc2ccccn21 ZINC000677131982 487979523 /nfs/dbraw/zinc/97/95/23/487979523.db2.gz UTRUSIZKKRTJEW-NSHDSACASA-N 1 2 234.324 2.363 20 30 BEEDLO C#CC[N@@H+](CC)Cc1csc(N(C)C2CC2)n1 ZINC000490852798 488025870 /nfs/dbraw/zinc/02/58/70/488025870.db2.gz NVCHUWFBGLVQPT-UHFFFAOYSA-N 1 2 249.383 2.197 20 30 BEEDLO C#CC[N@H+](CC)Cc1csc(N(C)C2CC2)n1 ZINC000490852798 488025872 /nfs/dbraw/zinc/02/58/72/488025872.db2.gz NVCHUWFBGLVQPT-UHFFFAOYSA-N 1 2 249.383 2.197 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000121419671 488062348 /nfs/dbraw/zinc/06/23/48/488062348.db2.gz UDHLQRSXJVVVCL-UHFFFAOYSA-N 1 2 229.283 2.354 20 30 BEEDLO C=CC[N@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000121419671 488062355 /nfs/dbraw/zinc/06/23/55/488062355.db2.gz UDHLQRSXJVVVCL-UHFFFAOYSA-N 1 2 229.283 2.354 20 30 BEEDLO C#CC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000274216102 487508067 /nfs/dbraw/zinc/50/80/67/487508067.db2.gz UMFXGCRHOIFIFQ-UHFFFAOYSA-N 1 2 210.280 2.156 20 30 BEEDLO C#CC[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC000274216102 487508072 /nfs/dbraw/zinc/50/80/72/487508072.db2.gz UMFXGCRHOIFIFQ-UHFFFAOYSA-N 1 2 210.280 2.156 20 30 BEEDLO COCC#CC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000677820769 487520737 /nfs/dbraw/zinc/52/07/37/487520737.db2.gz WBJXLPULZQNUQD-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO COCC#CC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000677820769 487520740 /nfs/dbraw/zinc/52/07/40/487520740.db2.gz WBJXLPULZQNUQD-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000683677993 488206242 /nfs/dbraw/zinc/20/62/42/488206242.db2.gz BWHWGMZOLAGRHV-UHFFFAOYSA-N 1 2 219.332 2.162 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000683677993 488206244 /nfs/dbraw/zinc/20/62/44/488206244.db2.gz BWHWGMZOLAGRHV-UHFFFAOYSA-N 1 2 219.332 2.162 20 30 BEEDLO C=CC[C@@H](CO)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000678718569 488278185 /nfs/dbraw/zinc/27/81/85/488278185.db2.gz DZXISTAYRNRYOD-LLVKDONJSA-N 1 2 249.358 2.371 20 30 BEEDLO C=CC[C@H](CC)NC(=O)CCCn1cc[nH+]c1 ZINC000684939813 488354452 /nfs/dbraw/zinc/35/44/52/488354452.db2.gz WISSODYLBBFYCX-LBPRGKRZSA-N 1 2 235.331 2.134 20 30 BEEDLO C=CCOCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000679839092 488367805 /nfs/dbraw/zinc/36/78/05/488367805.db2.gz IAYMKRQADLSWNG-UHFFFAOYSA-N 1 2 247.342 2.278 20 30 BEEDLO CCc1ccc(C[NH+]2CCC(F)(C#N)CC2)nc1 ZINC000339186814 490256548 /nfs/dbraw/zinc/25/65/48/490256548.db2.gz VKFRXCHUBPZOSQ-UHFFFAOYSA-N 1 2 247.317 2.472 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc2c1OCCO2 ZINC000054183445 535725651 /nfs/dbraw/zinc/72/56/51/535725651.db2.gz FZXJSGKJXZFGQJ-LBPRGKRZSA-N 1 2 246.310 2.240 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC)c1OC ZINC000054182394 535726061 /nfs/dbraw/zinc/72/60/61/535726061.db2.gz RURVXGZBRXHMNY-LBPRGKRZSA-N 1 2 248.326 2.486 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(O)c(F)c1 ZINC000891579295 582699096 /nfs/dbraw/zinc/69/90/96/582699096.db2.gz XBCMMDXFZDOURG-UHFFFAOYSA-N 1 2 222.263 2.267 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)cc1OC ZINC000054182199 536057479 /nfs/dbraw/zinc/05/74/79/536057479.db2.gz KLLGNRYPIOWGHW-GFCCVEGCSA-N 1 2 248.326 2.486 20 30 BEEDLO C=CC[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121844167 534342495 /nfs/dbraw/zinc/34/24/95/534342495.db2.gz CZFPKTJWXSOCRR-JTQLQIEISA-N 1 2 219.288 2.476 20 30 BEEDLO C=C(Cl)CN1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373110947 534437224 /nfs/dbraw/zinc/43/72/24/534437224.db2.gz JUAPXZIIMVOODL-NSHDSACASA-N 1 2 239.750 2.352 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000373795920 534443541 /nfs/dbraw/zinc/44/35/41/534443541.db2.gz GUXMJNNRNKOLHL-NEPJUHHUSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000373795920 534443544 /nfs/dbraw/zinc/44/35/44/534443544.db2.gz GUXMJNNRNKOLHL-NEPJUHHUSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000366567324 534443766 /nfs/dbraw/zinc/44/37/66/534443766.db2.gz CEXISCQJOBTUNS-NWDGAFQWSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000366567324 534443771 /nfs/dbraw/zinc/44/37/71/534443771.db2.gz CEXISCQJOBTUNS-NWDGAFQWSA-N 1 2 245.750 2.009 20 30 BEEDLO C=CC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000336345550 534529244 /nfs/dbraw/zinc/52/92/44/534529244.db2.gz RGANFXWEAIOZMN-UHFFFAOYSA-N 1 2 233.340 2.413 20 30 BEEDLO C=C[C@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000335301487 534652484 /nfs/dbraw/zinc/65/24/84/534652484.db2.gz LMOCWIJYOHVTOM-VIFPVBQESA-N 1 2 230.271 2.030 20 30 BEEDLO C=CCCCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000175286953 534660930 /nfs/dbraw/zinc/66/09/30/534660930.db2.gz CYJTWPPWXUBHOD-UHFFFAOYSA-N 1 2 247.342 2.120 20 30 BEEDLO C=C[C@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000336095497 534698260 /nfs/dbraw/zinc/69/82/60/534698260.db2.gz JFRHOONSLZUFAC-NSHDSACASA-N 1 2 203.289 2.330 20 30 BEEDLO C=CCC[N@@H+](C)[C@H](C(=O)OC)c1ccsc1 ZINC000337212262 534770996 /nfs/dbraw/zinc/77/09/96/534770996.db2.gz VJMVPGMODWCYOB-NSHDSACASA-N 1 2 239.340 2.470 20 30 BEEDLO C=CCC[N@H+](C)[C@H](C(=O)OC)c1ccsc1 ZINC000337212262 534771003 /nfs/dbraw/zinc/77/10/03/534771003.db2.gz VJMVPGMODWCYOB-NSHDSACASA-N 1 2 239.340 2.470 20 30 BEEDLO C=CC[N@@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000121412836 534817743 /nfs/dbraw/zinc/81/77/43/534817743.db2.gz LVBAOVCWOKPQQR-SNVBAGLBSA-N 1 2 244.298 2.310 20 30 BEEDLO C=CC[N@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000121412836 534817745 /nfs/dbraw/zinc/81/77/45/534817745.db2.gz LVBAOVCWOKPQQR-SNVBAGLBSA-N 1 2 244.298 2.310 20 30 BEEDLO C=CC[N@@H+](CCOC)[C@H](C)c1nnc(C)s1 ZINC000338367327 534836903 /nfs/dbraw/zinc/83/69/03/534836903.db2.gz ZBSYQQSIPXVEJK-SECBINFHSA-N 1 2 241.360 2.042 20 30 BEEDLO C=CC[N@H+](CCOC)[C@H](C)c1nnc(C)s1 ZINC000338367327 534836906 /nfs/dbraw/zinc/83/69/06/534836906.db2.gz ZBSYQQSIPXVEJK-SECBINFHSA-N 1 2 241.360 2.042 20 30 BEEDLO C=CCOCCC[N@@H+](CC(F)F)C1CC1 ZINC000348037091 534874385 /nfs/dbraw/zinc/87/43/85/534874385.db2.gz RLCAYDSZWXDJIS-UHFFFAOYSA-N 1 2 219.275 2.309 20 30 BEEDLO C=CCOCCC[N@H+](CC(F)F)C1CC1 ZINC000348037091 534874388 /nfs/dbraw/zinc/87/43/88/534874388.db2.gz RLCAYDSZWXDJIS-UHFFFAOYSA-N 1 2 219.275 2.309 20 30 BEEDLO CN(Cc1cccc2[nH+]ccn21)CC(C)(C)C#N ZINC000354016606 536477712 /nfs/dbraw/zinc/47/77/12/536477712.db2.gz AUHVJHHVJRXLBO-UHFFFAOYSA-N 1 2 242.326 2.316 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cc(C#N)cs1 ZINC000490914312 526864203 /nfs/dbraw/zinc/86/42/03/526864203.db2.gz HHMMZFBFDXOPTI-UHFFFAOYSA-N 1 2 228.320 2.078 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cc(C#N)cs1 ZINC000490914312 526864208 /nfs/dbraw/zinc/86/42/08/526864208.db2.gz HHMMZFBFDXOPTI-UHFFFAOYSA-N 1 2 228.320 2.078 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nccn1-c1ccccc1 ZINC000491773054 527214417 /nfs/dbraw/zinc/21/44/17/527214417.db2.gz BITFNPCTVGMGNQ-CYBMUJFWSA-N 1 2 239.322 2.326 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nccn1-c1ccccc1 ZINC000491773054 527214419 /nfs/dbraw/zinc/21/44/19/527214419.db2.gz BITFNPCTVGMGNQ-CYBMUJFWSA-N 1 2 239.322 2.326 20 30 BEEDLO C#C[C@@H](C)N(C)c1[nH+]c2cccc(F)c2n1C ZINC000491046213 527216985 /nfs/dbraw/zinc/21/69/85/527216985.db2.gz OVYLICVANVURCK-SECBINFHSA-N 1 2 231.274 2.170 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861956 527251569 /nfs/dbraw/zinc/25/15/69/527251569.db2.gz KGADLZQRXOASNG-SKVAFPRGSA-N 1 2 233.315 2.284 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CCCCC(C)(C)C#N ZINC000491268220 527309866 /nfs/dbraw/zinc/30/98/66/527309866.db2.gz YPWLQTICUWXYKB-CYBMUJFWSA-N 1 2 234.343 2.040 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CCCCC(C)(C)C#N ZINC000491268220 527309868 /nfs/dbraw/zinc/30/98/68/527309868.db2.gz YPWLQTICUWXYKB-CYBMUJFWSA-N 1 2 234.343 2.040 20 30 BEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000491670127 527330766 /nfs/dbraw/zinc/33/07/66/527330766.db2.gz DBOPMVIGRRFZDR-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000491670127 527330772 /nfs/dbraw/zinc/33/07/72/527330772.db2.gz DBOPMVIGRRFZDR-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492772913 527442531 /nfs/dbraw/zinc/44/25/31/527442531.db2.gz ITIZEYJWSZCSSG-VOTSOKGWSA-N 1 2 237.262 2.043 20 30 BEEDLO C=CC[N@@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000494646336 527573332 /nfs/dbraw/zinc/57/33/32/527573332.db2.gz JHPNPQCDDNVCLC-UHFFFAOYSA-N 1 2 240.253 2.021 20 30 BEEDLO C=CC[N@H+](C)CC(=O)Nc1c(F)cccc1F ZINC000494646336 527573336 /nfs/dbraw/zinc/57/33/36/527573336.db2.gz JHPNPQCDDNVCLC-UHFFFAOYSA-N 1 2 240.253 2.021 20 30 BEEDLO CC(C)(C#N)CCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000372506703 534980372 /nfs/dbraw/zinc/98/03/72/534980372.db2.gz POCMXAKDDRGFMB-JTQLQIEISA-N 1 2 246.301 2.018 20 30 BEEDLO CC(C)(C#N)CCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000372506703 534980377 /nfs/dbraw/zinc/98/03/77/534980377.db2.gz POCMXAKDDRGFMB-JTQLQIEISA-N 1 2 246.301 2.018 20 30 BEEDLO CCc1nocc1C[NH+]1CCC(F)(C#N)CC1 ZINC000353461638 535905019 /nfs/dbraw/zinc/90/50/19/535905019.db2.gz MZZPNIIIGYBVKP-UHFFFAOYSA-N 1 2 237.278 2.065 20 30 BEEDLO COCc1ccc(C[N@H+](C)CC(C)(C)C#N)o1 ZINC000354035748 536765200 /nfs/dbraw/zinc/76/52/00/536765200.db2.gz DDTCWDVJHQYJOO-UHFFFAOYSA-N 1 2 236.315 2.408 20 30 BEEDLO COCc1ccc(C[N@@H+](C)CC(C)(C)C#N)o1 ZINC000354035748 536765204 /nfs/dbraw/zinc/76/52/04/536765204.db2.gz DDTCWDVJHQYJOO-UHFFFAOYSA-N 1 2 236.315 2.408 20 30 BEEDLO Cc1[nH+]cc(C=NN[C@@H](C)c2ccccc2)n1C ZINC000853293183 588731136 /nfs/dbraw/zinc/73/11/36/588731136.db2.gz ASXYQGXGFMWKES-NSHDSACASA-N 1 2 242.326 2.413 20 30 BEEDLO C(=NOC1CCCC1)c1c[nH+]c2n1CCC2 ZINC000853328449 588733410 /nfs/dbraw/zinc/73/34/10/588733410.db2.gz RDRXXNNPEMIDBY-UHFFFAOYSA-N 1 2 219.288 2.122 20 30 BEEDLO c1cn(CCCNN=C2CCCC23CC3)c[nH+]1 ZINC000853370238 588738753 /nfs/dbraw/zinc/73/87/53/588738753.db2.gz HNFVHEVOBQJIDJ-UHFFFAOYSA-N 1 2 232.331 2.183 20 30 BEEDLO CCn1c[nH+]cc1C=NN1CCCC[C@H]1C ZINC000853385309 588740286 /nfs/dbraw/zinc/74/02/86/588740286.db2.gz VDUNRJXFKYZWDA-LLVKDONJSA-N 1 2 220.320 2.111 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)CC ZINC000853644539 588751824 /nfs/dbraw/zinc/75/18/24/588751824.db2.gz QHYPLAUDHDFIST-LBPRGKRZSA-N 1 2 248.326 2.057 20 30 BEEDLO C=CCCCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000890808876 582571047 /nfs/dbraw/zinc/57/10/47/582571047.db2.gz GGKVGVVFPYQCNX-VXGBXAGGSA-N 1 2 247.342 2.328 20 30 BEEDLO C=CCCCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000890808876 582571048 /nfs/dbraw/zinc/57/10/48/582571048.db2.gz GGKVGVVFPYQCNX-VXGBXAGGSA-N 1 2 247.342 2.328 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(O)c(F)c1 ZINC000891579295 582699094 /nfs/dbraw/zinc/69/90/94/582699094.db2.gz XBCMMDXFZDOURG-UHFFFAOYSA-N 1 2 222.263 2.267 20 30 BEEDLO Cc1cc(F)ncc1C[N@@H+](C)C[C@@H](C)C#N ZINC000891716369 582712782 /nfs/dbraw/zinc/71/27/82/582712782.db2.gz PGWULWFSTRGVHB-VIFPVBQESA-N 1 2 221.279 2.121 20 30 BEEDLO Cc1cc(F)ncc1C[N@H+](C)C[C@@H](C)C#N ZINC000891716369 582712784 /nfs/dbraw/zinc/71/27/84/582712784.db2.gz PGWULWFSTRGVHB-VIFPVBQESA-N 1 2 221.279 2.121 20 30 BEEDLO CCN(CC#N)Cc1[nH+]ccc2c1CCCC2 ZINC000891779303 582719407 /nfs/dbraw/zinc/71/94/07/582719407.db2.gz ZFDSFLMDEDYTHV-UHFFFAOYSA-N 1 2 229.327 2.306 20 30 BEEDLO CCOc1ccc(C[N@H+](C)[C@H](C)CC#N)o1 ZINC000891933877 582741023 /nfs/dbraw/zinc/74/10/23/582741023.db2.gz NJAQIJAMJOCDGL-SNVBAGLBSA-N 1 2 222.288 2.412 20 30 BEEDLO CCOc1ccc(C[N@@H+](C)[C@H](C)CC#N)o1 ZINC000891933877 582741025 /nfs/dbraw/zinc/74/10/25/582741025.db2.gz NJAQIJAMJOCDGL-SNVBAGLBSA-N 1 2 222.288 2.412 20 30 BEEDLO CCc1cc(N2CCC(C#N)CC2)nc(CC)[nH+]1 ZINC000892137940 582798651 /nfs/dbraw/zinc/79/86/51/582798651.db2.gz TVCKWGZPEHEKIQ-UHFFFAOYSA-N 1 2 244.342 2.341 20 30 BEEDLO CCCCCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000114648861 588879464 /nfs/dbraw/zinc/87/94/64/588879464.db2.gz MFXWBXWLCNNBLJ-UHFFFAOYSA-N 1 2 223.320 2.386 20 30 BEEDLO CCCCCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000114648861 588879465 /nfs/dbraw/zinc/87/94/65/588879465.db2.gz MFXWBXWLCNNBLJ-UHFFFAOYSA-N 1 2 223.320 2.386 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857037176 588883666 /nfs/dbraw/zinc/88/36/66/588883666.db2.gz SJCXQKXCDJMWLW-UHFFFAOYSA-N 1 2 213.712 2.081 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1cn(C)nc1Cl ZINC000857037176 588883667 /nfs/dbraw/zinc/88/36/67/588883667.db2.gz SJCXQKXCDJMWLW-UHFFFAOYSA-N 1 2 213.712 2.081 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894002661 583272619 /nfs/dbraw/zinc/27/26/19/583272619.db2.gz UTKRFIUQJGPYML-QMMMGPOBSA-N 1 2 240.253 2.404 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894002661 583272620 /nfs/dbraw/zinc/27/26/20/583272620.db2.gz UTKRFIUQJGPYML-QMMMGPOBSA-N 1 2 240.253 2.404 20 30 BEEDLO Cc1cc[nH+]c(N)c1CN(C[C@@H](C)C#N)C1CC1 ZINC000894085816 583294921 /nfs/dbraw/zinc/29/49/21/583294921.db2.gz UQTBDSLBGXNYSK-JTQLQIEISA-N 1 2 244.342 2.096 20 30 BEEDLO C[C@@H](O)c1cccc(NCC(C)(C)CC#N)[nH+]1 ZINC000894159717 583321045 /nfs/dbraw/zinc/32/10/45/583321045.db2.gz OSBUKWKDUDKNJI-SNVBAGLBSA-N 1 2 233.315 2.487 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000894205014 583340450 /nfs/dbraw/zinc/34/04/50/583340450.db2.gz UTJGLILRGLXBIM-UHFFFAOYSA-N 1 2 230.315 2.001 20 30 BEEDLO N#CC1(C[NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000894204792 583340945 /nfs/dbraw/zinc/34/09/45/583340945.db2.gz UDACYJOPSSLLEW-UHFFFAOYSA-N 1 2 236.702 2.439 20 30 BEEDLO COc1cccc(/C=[NH+]\CC[C@H](C)OC)c1O ZINC000726429849 583353690 /nfs/dbraw/zinc/35/36/90/583353690.db2.gz SBLIAVSWQZQJPS-ADVUTCEVSA-N 1 2 237.299 2.245 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]\CC[C@@H](C)OC)c1 ZINC000726430452 583353936 /nfs/dbraw/zinc/35/39/36/583353936.db2.gz ZKHARKSXUVSDDF-AHEVQNHNSA-N 1 2 237.299 2.245 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/CC[C@H](C)OC)c1 ZINC000726430456 583354596 /nfs/dbraw/zinc/35/45/96/583354596.db2.gz ZKHARKSXUVSDDF-RSYJBZMQSA-N 1 2 237.299 2.245 20 30 BEEDLO Cc1nc(C)c(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)o1 ZINC000879311070 583423034 /nfs/dbraw/zinc/42/30/34/583423034.db2.gz NMRBZOHOADBNGH-RYUDHWBXSA-N 1 2 233.315 2.416 20 30 BEEDLO Cc1nc(C)c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)o1 ZINC000879311070 583423035 /nfs/dbraw/zinc/42/30/35/583423035.db2.gz NMRBZOHOADBNGH-RYUDHWBXSA-N 1 2 233.315 2.416 20 30 BEEDLO C#C[C@@H]1CCCN(c2cc(CC)[nH+]c(CC)n2)C1 ZINC000894425778 583455112 /nfs/dbraw/zinc/45/51/12/583455112.db2.gz RNHSCZIIFOJWFD-GFCCVEGCSA-N 1 2 243.354 2.451 20 30 BEEDLO Cc1ncoc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000894446287 583460846 /nfs/dbraw/zinc/46/08/46/583460846.db2.gz USXTZXODKXBPAN-GFCCVEGCSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1ncoc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000894446287 583460848 /nfs/dbraw/zinc/46/08/48/583460848.db2.gz USXTZXODKXBPAN-GFCCVEGCSA-N 1 2 219.288 2.109 20 30 BEEDLO N#CCC[NH2+]Cc1ccccc1OCC(F)F ZINC000894580189 583488717 /nfs/dbraw/zinc/48/87/17/583488717.db2.gz QNMOCTYEMFGBGQ-UHFFFAOYSA-N 1 2 240.253 2.334 20 30 BEEDLO C[N@H+](Cc1cn2ccnc2s1)CC(C)(C)C#N ZINC000894610439 583491612 /nfs/dbraw/zinc/49/16/12/583491612.db2.gz NHEDHTYVEOBYLM-UHFFFAOYSA-N 1 2 248.355 2.377 20 30 BEEDLO C[N@@H+](Cc1cn2ccnc2s1)CC(C)(C)C#N ZINC000894610439 583491616 /nfs/dbraw/zinc/49/16/16/583491616.db2.gz NHEDHTYVEOBYLM-UHFFFAOYSA-N 1 2 248.355 2.377 20 30 BEEDLO COc1ccc(C[NH2+]CC2(C#N)CCCC2)o1 ZINC000895142440 583603635 /nfs/dbraw/zinc/60/36/35/583603635.db2.gz QNNRLGOCQWHESW-UHFFFAOYSA-N 1 2 234.299 2.462 20 30 BEEDLO F[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000895192151 583621703 /nfs/dbraw/zinc/62/17/03/583621703.db2.gz YDHCYJUYNGGOEJ-AWEZNQCLSA-N 1 2 217.287 2.472 20 30 BEEDLO F[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000895192151 583621704 /nfs/dbraw/zinc/62/17/04/583621704.db2.gz YDHCYJUYNGGOEJ-AWEZNQCLSA-N 1 2 217.287 2.472 20 30 BEEDLO C=CCCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727491603 583660987 /nfs/dbraw/zinc/66/09/87/583660987.db2.gz HUOBXECLUQYRHU-GFCCVEGCSA-N 1 2 249.358 2.380 20 30 BEEDLO C=CCCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727491604 583661139 /nfs/dbraw/zinc/66/11/39/583661139.db2.gz HUOBXECLUQYRHU-LBPRGKRZSA-N 1 2 249.358 2.380 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+]1Cc2ccncc2C1 ZINC000857879197 588919591 /nfs/dbraw/zinc/91/95/91/588919591.db2.gz VYJPRAAFUVAYMY-LLVKDONJSA-N 1 2 200.285 2.199 20 30 BEEDLO CCC#C[C@@H](C)[N@H+]1Cc2ccncc2C1 ZINC000857879197 588919593 /nfs/dbraw/zinc/91/95/93/588919593.db2.gz VYJPRAAFUVAYMY-LLVKDONJSA-N 1 2 200.285 2.199 20 30 BEEDLO Cn1ncc(C[N@@H+]2CC[C@](C)(C#N)C2)c1C1CC1 ZINC000895451571 583676438 /nfs/dbraw/zinc/67/64/38/583676438.db2.gz YVKBWBRHIYMNOV-CQSZACIVSA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1ncc(C[N@H+]2CC[C@](C)(C#N)C2)c1C1CC1 ZINC000895451571 583676440 /nfs/dbraw/zinc/67/64/40/583676440.db2.gz YVKBWBRHIYMNOV-CQSZACIVSA-N 1 2 244.342 2.033 20 30 BEEDLO C=C1CCC(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000895703897 583709886 /nfs/dbraw/zinc/70/98/86/583709886.db2.gz IBNLIZVVBOLTMJ-GFCCVEGCSA-N 1 2 247.342 2.134 20 30 BEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979462 588927520 /nfs/dbraw/zinc/92/75/20/588927520.db2.gz PBIXUQXDLSJIGV-ZWNOBZJWSA-N 1 2 233.315 2.046 20 30 BEEDLO Cc1ccoc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896501209 583807413 /nfs/dbraw/zinc/80/74/13/583807413.db2.gz FTBRPTOJHNHWNY-NSHDSACASA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1ccoc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896501209 583807414 /nfs/dbraw/zinc/80/74/14/583807414.db2.gz FTBRPTOJHNHWNY-NSHDSACASA-N 1 2 204.273 2.324 20 30 BEEDLO COc1ccsc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896501205 583807427 /nfs/dbraw/zinc/80/74/27/583807427.db2.gz FSYCWFIYCHYTOP-SNVBAGLBSA-N 1 2 236.340 2.492 20 30 BEEDLO COc1ccsc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000896501205 583807429 /nfs/dbraw/zinc/80/74/29/583807429.db2.gz FSYCWFIYCHYTOP-SNVBAGLBSA-N 1 2 236.340 2.492 20 30 BEEDLO Cc1nc(N(C)Cc2cc(C#N)cs2)cc[nH+]1 ZINC000896923598 583858504 /nfs/dbraw/zinc/85/85/04/583858504.db2.gz KNUGGGAIGHPUQH-UHFFFAOYSA-N 1 2 244.323 2.355 20 30 BEEDLO COCC[C@@H](C)C/[NH+]=C/c1cccc(O)c1O ZINC000840711046 583877206 /nfs/dbraw/zinc/87/72/06/583877206.db2.gz OIHMIIRXASEANR-GMROUXNLSA-N 1 2 237.299 2.189 20 30 BEEDLO CC#CC[N@@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000897167337 583887366 /nfs/dbraw/zinc/88/73/66/583887366.db2.gz YWQYEGCENPRJRK-UHFFFAOYSA-N 1 2 239.750 2.091 20 30 BEEDLO CC#CC[N@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000897167337 583887368 /nfs/dbraw/zinc/88/73/68/583887368.db2.gz YWQYEGCENPRJRK-UHFFFAOYSA-N 1 2 239.750 2.091 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccnn1CC1CCC1 ZINC000897168952 583888520 /nfs/dbraw/zinc/88/85/20/583888520.db2.gz JDEBIYNZIIDQBT-UHFFFAOYSA-N 1 2 231.343 2.138 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccnn1CC1CCC1 ZINC000897168952 583888521 /nfs/dbraw/zinc/88/85/21/583888521.db2.gz JDEBIYNZIIDQBT-UHFFFAOYSA-N 1 2 231.343 2.138 20 30 BEEDLO Cc1cc(N[C@@H]2C[C@@H]3CCC[C@H]23)c(C#N)c[nH+]1 ZINC000897177475 583890497 /nfs/dbraw/zinc/89/04/97/583890497.db2.gz QFSHSJDMNDLOOW-VHRBIJSZSA-N 1 2 227.311 2.284 20 30 BEEDLO C1CC2(C1)CCC2N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000799885316 583969279 /nfs/dbraw/zinc/96/92/79/583969279.db2.gz UMHJNHAQLAYGGD-QWRGUYRKSA-N 1 2 246.358 2.167 20 30 BEEDLO C=C1CCC(C(=O)NC2=[NH+]C[C@@H](C)S2)CC1 ZINC000898016916 584075169 /nfs/dbraw/zinc/07/51/69/584075169.db2.gz HWYJWSKJJGEUOV-SECBINFHSA-N 1 2 238.356 2.340 20 30 BEEDLO COCC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866253438 584116936 /nfs/dbraw/zinc/11/69/36/584116936.db2.gz ZABHOFPGGJCGAB-WDEREUQCSA-N 1 2 248.326 2.339 20 30 BEEDLO C/C=C\C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866397612 584118294 /nfs/dbraw/zinc/11/82/94/584118294.db2.gz IUASXNSZISOSTL-UMBAGQNISA-N 1 2 216.284 2.491 20 30 BEEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccc[nH]1 ZINC000730147457 584124758 /nfs/dbraw/zinc/12/47/58/584124758.db2.gz OLOYXVRLRFGDNA-UHFFFAOYSA-N 1 2 236.278 2.431 20 30 BEEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccccn1 ZINC000730146671 584124988 /nfs/dbraw/zinc/12/49/88/584124988.db2.gz DHIDBQYMLCXHCL-UHFFFAOYSA-N 1 2 248.289 2.498 20 30 BEEDLO Oc1ccc(/C=[NH+]/C[C@]23C[C@H]2CCC3)c(O)c1O ZINC000899226954 584182751 /nfs/dbraw/zinc/18/27/51/584182751.db2.gz BUVWFJZAIDKFRR-PTYNZTNKSA-N 1 2 247.294 2.413 20 30 BEEDLO N#CC1(CNc2cc[nH+]c(CO)c2)CCCC1 ZINC000858604491 588970704 /nfs/dbraw/zinc/97/07/04/588970704.db2.gz KVVULRLVJLSBGD-UHFFFAOYSA-N 1 2 231.299 2.070 20 30 BEEDLO C#CC[C@@H](COC)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000858860898 588979624 /nfs/dbraw/zinc/97/96/24/588979624.db2.gz VNQONZBTIMBSHW-NSHDSACASA-N 1 2 247.342 2.224 20 30 BEEDLO FC(F)C1CC(=[NH+]n2nnc3c2CCCC3)C1 ZINC000901331194 584425323 /nfs/dbraw/zinc/42/53/23/584425323.db2.gz MJSHLLKVFWWJSF-UHFFFAOYSA-N 1 2 240.257 2.036 20 30 BEEDLO CSCCCC=[NH+]n1nnc2c1CCCC2 ZINC000901331435 584425329 /nfs/dbraw/zinc/42/53/29/584425329.db2.gz NZAKQDWXZRGAOS-UHFFFAOYSA-N 1 2 238.360 2.134 20 30 BEEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1nccn1C ZINC000901475468 584448245 /nfs/dbraw/zinc/44/82/45/584448245.db2.gz RMSDALBTNVKNNT-SNAWJCMRSA-N 1 2 244.298 2.094 20 30 BEEDLO CCn1cc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)cn1 ZINC000901464221 584451369 /nfs/dbraw/zinc/45/13/69/584451369.db2.gz FDVDXTPZCXEWSF-AATRIKPKSA-N 1 2 244.298 2.139 20 30 BEEDLO CCn1c[nH+]cc1/C=C\C(=O)c1cc(C)on1 ZINC000901504046 584455404 /nfs/dbraw/zinc/45/54/04/584455404.db2.gz XJRYGZIRKFARNW-PLNGDYQASA-N 1 2 231.255 2.096 20 30 BEEDLO CC(C)c1c[nH]c(C=CC(=O)c2c[nH]cn2)[nH+]1 ZINC000901539199 584460834 /nfs/dbraw/zinc/46/08/34/584460834.db2.gz HZCUNXXBXIUQLZ-ONEGZZNKSA-N 1 2 230.271 2.152 20 30 BEEDLO CCn1ccnc1C(=O)/C=C/c1c[nH+]cn1CC ZINC000901557686 584462885 /nfs/dbraw/zinc/46/28/85/584462885.db2.gz WFQDSJQCQOPCMR-AATRIKPKSA-N 1 2 244.298 2.016 20 30 BEEDLO Cc1cn(Cc2ccc(N(C)C)[nH+]c2)cc1C#N ZINC000902292534 584548721 /nfs/dbraw/zinc/54/87/21/584548721.db2.gz BTIQSQAPCLWIOB-UHFFFAOYSA-N 1 2 240.310 2.178 20 30 BEEDLO CC[N@@H+](Cc1ccnc(F)c1)C[C@@H](C)C#N ZINC000859104728 589002568 /nfs/dbraw/zinc/00/25/68/589002568.db2.gz HNQAYTLGHFRNOT-JTQLQIEISA-N 1 2 221.279 2.202 20 30 BEEDLO CC[N@H+](Cc1ccnc(F)c1)C[C@@H](C)C#N ZINC000859104728 589002569 /nfs/dbraw/zinc/00/25/69/589002569.db2.gz HNQAYTLGHFRNOT-JTQLQIEISA-N 1 2 221.279 2.202 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cc(Cl)n(C)n1 ZINC000859073106 588997337 /nfs/dbraw/zinc/99/73/37/588997337.db2.gz CPQZTQQGRKWGNZ-UHFFFAOYSA-N 1 2 225.723 2.248 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902872026 584684182 /nfs/dbraw/zinc/68/41/82/584684182.db2.gz WGTSVZWIVJQTGE-VIFPVBQESA-N 1 2 221.691 2.356 20 30 BEEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1cc2n(n1)CCCC2 ZINC000903101755 584727106 /nfs/dbraw/zinc/72/71/06/584727106.db2.gz LSTYQUOPVWRKJZ-NSHDSACASA-N 1 2 246.358 2.420 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cn1 ZINC000903105606 584728257 /nfs/dbraw/zinc/72/82/57/584728257.db2.gz FNNIAFVIKBGWCU-VIFPVBQESA-N 1 2 219.263 2.175 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cncs1 ZINC000903106892 584728508 /nfs/dbraw/zinc/72/85/08/584728508.db2.gz YBQGZULVURELNA-QMMMGPOBSA-N 1 2 207.302 2.097 20 30 BEEDLO CCCCN(O)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000904214860 584856423 /nfs/dbraw/zinc/85/64/23/584856423.db2.gz PRCOKDFZDKOIDO-UHFFFAOYSA-N 1 2 247.298 2.274 20 30 BEEDLO O=C1c2cc(F)ccc2O/C1=C/c1[nH]cc[nH+]1 ZINC000731158801 584922960 /nfs/dbraw/zinc/92/29/60/584922960.db2.gz JAOFCYPUGZZWEG-UXBLZVDNSA-N 1 2 230.198 2.165 20 30 BEEDLO N#CCOc1ccc(Cl)cc1Cn1cc[nH+]c1 ZINC000735306780 584975301 /nfs/dbraw/zinc/97/53/01/584975301.db2.gz UPWSPUWCOZRMIM-UHFFFAOYSA-N 1 2 247.685 2.487 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](C)CCCCC)C(=O)OC ZINC000839167437 585095298 /nfs/dbraw/zinc/09/52/98/585095298.db2.gz DHUQADOFFXKWFB-RYUDHWBXSA-N 1 2 225.332 2.110 20 30 BEEDLO C#CC[C@H]([NH2+]CC(C(C)C)C(C)C)C(=O)OC ZINC000839167362 585095343 /nfs/dbraw/zinc/09/53/43/585095343.db2.gz FMBWTLCCTSMNQG-ZDUSSCGKSA-N 1 2 239.359 2.069 20 30 BEEDLO C#CC[C@@H]([NH2+][C@@H]1CCCCC1(C)C)C(=O)OC ZINC000839166833 585095399 /nfs/dbraw/zinc/09/53/99/585095399.db2.gz BGKNRCDEYAMFME-VXGBXAGGSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@@H]([NH2+][C@@H](C)CCCCC)C(=O)OC ZINC000839167436 585095468 /nfs/dbraw/zinc/09/54/68/585095468.db2.gz DHUQADOFFXKWFB-NWDGAFQWSA-N 1 2 225.332 2.110 20 30 BEEDLO C#CC[C@@H]([NH2+]CC(CC)(CC)CC)C(=O)OC ZINC000839167857 585095737 /nfs/dbraw/zinc/09/57/37/585095737.db2.gz HDMFMVKXHKDDHU-GFCCVEGCSA-N 1 2 239.359 2.357 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](CC)CCCC)C(=O)OC ZINC000839168439 585095782 /nfs/dbraw/zinc/09/57/82/585095782.db2.gz KRKPJAMVILQPSA-NEPJUHHUSA-N 1 2 225.332 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](CC)C[C@@H](C)CC)C(=O)OC ZINC000839168830 585095789 /nfs/dbraw/zinc/09/57/89/585095789.db2.gz NDNGVKJPDFGWOH-AVGNSLFASA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](CC)C1)C(=O)OC ZINC000839168308 585095875 /nfs/dbraw/zinc/09/58/75/585095875.db2.gz JNDPHHMLDPBATK-UPJWGTAASA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)OC ZINC000839170483 585096493 /nfs/dbraw/zinc/09/64/93/585096493.db2.gz ZYGUKRWZJJFOSL-WCQYABFASA-N 1 2 237.343 2.110 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1C/C(C)=C/c1ccccc1 ZINC000839186651 585096967 /nfs/dbraw/zinc/09/69/67/585096967.db2.gz NHHNHUASMIQTJW-WSYSLRRZSA-N 1 2 241.334 2.424 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1C/C(C)=C/c1ccccc1 ZINC000839186651 585096968 /nfs/dbraw/zinc/09/69/68/585096968.db2.gz NHHNHUASMIQTJW-WSYSLRRZSA-N 1 2 241.334 2.424 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CCSc1ccccc1 ZINC000839196809 585098960 /nfs/dbraw/zinc/09/89/60/585098960.db2.gz PIVKWNAZOFBYTK-CYBMUJFWSA-N 1 2 247.363 2.113 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CCSc1ccccc1 ZINC000839196809 585098961 /nfs/dbraw/zinc/09/89/61/585098961.db2.gz PIVKWNAZOFBYTK-CYBMUJFWSA-N 1 2 247.363 2.113 20 30 BEEDLO C#CC[NH+](CC#C)[C@H](C)c1ccccc1F ZINC000839501286 585105941 /nfs/dbraw/zinc/10/59/41/585105941.db2.gz VJALQWVCORYJQW-GFCCVEGCSA-N 1 2 215.271 2.455 20 30 BEEDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)C#N)c1ccccc1 ZINC000741150538 585110582 /nfs/dbraw/zinc/11/05/82/585110582.db2.gz IFSCNTWEJNSPMO-YPMHNXCESA-N 1 2 246.310 2.135 20 30 BEEDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)C#N)c1ccccc1 ZINC000741150538 585110583 /nfs/dbraw/zinc/11/05/83/585110583.db2.gz IFSCNTWEJNSPMO-YPMHNXCESA-N 1 2 246.310 2.135 20 30 BEEDLO C=C1CC[NH+]([C@@H](C)C(=O)OCCCC)CC1 ZINC000741786007 585118835 /nfs/dbraw/zinc/11/88/35/585118835.db2.gz SMLLEYZYDORMMU-LBPRGKRZSA-N 1 2 225.332 2.370 20 30 BEEDLO C#CC[N@@H+](CC#CC)C[C@@H]1CC1(Cl)Cl ZINC000743852240 585140766 /nfs/dbraw/zinc/14/07/66/585140766.db2.gz GWUCQDIQUDXSKY-JTQLQIEISA-N 1 2 230.138 2.139 20 30 BEEDLO C#CC[N@H+](CC#CC)C[C@@H]1CC1(Cl)Cl ZINC000743852240 585140767 /nfs/dbraw/zinc/14/07/67/585140767.db2.gz GWUCQDIQUDXSKY-JTQLQIEISA-N 1 2 230.138 2.139 20 30 BEEDLO C#CC[N@@H+](CC#CC)C[C@H]1CC1(Cl)Cl ZINC000743852241 585140990 /nfs/dbraw/zinc/14/09/90/585140990.db2.gz GWUCQDIQUDXSKY-SNVBAGLBSA-N 1 2 230.138 2.139 20 30 BEEDLO C#CC[N@H+](CC#CC)C[C@H]1CC1(Cl)Cl ZINC000743852241 585140991 /nfs/dbraw/zinc/14/09/91/585140991.db2.gz GWUCQDIQUDXSKY-SNVBAGLBSA-N 1 2 230.138 2.139 20 30 BEEDLO CC[NH+](CC)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000744385542 585149532 /nfs/dbraw/zinc/14/95/32/585149532.db2.gz QBJFHEOEUQOTCN-ZDUSSCGKSA-N 1 2 246.310 2.114 20 30 BEEDLO C=CC[N@@H+](Cc1nc([C@@H](C)OC)no1)C(C)C ZINC000747525074 585180282 /nfs/dbraw/zinc/18/02/82/585180282.db2.gz XWOFEAFXYQZDTG-SNVBAGLBSA-N 1 2 239.319 2.173 20 30 BEEDLO C=CC[N@H+](Cc1nc([C@@H](C)OC)no1)C(C)C ZINC000747525074 585180283 /nfs/dbraw/zinc/18/02/83/585180283.db2.gz XWOFEAFXYQZDTG-SNVBAGLBSA-N 1 2 239.319 2.173 20 30 BEEDLO C=CCN(C(=O)CCCn1cc[nH+]c1)C(C)C ZINC000748617791 585194558 /nfs/dbraw/zinc/19/45/58/585194558.db2.gz MEYGXRLFQVHRLK-UHFFFAOYSA-N 1 2 235.331 2.086 20 30 BEEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccoc2)C1 ZINC000753586066 585263045 /nfs/dbraw/zinc/26/30/45/585263045.db2.gz FJBIIMVPMQVOIG-LBPRGKRZSA-N 1 2 204.273 2.405 20 30 BEEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccoc2)C1 ZINC000753586066 585263046 /nfs/dbraw/zinc/26/30/46/585263046.db2.gz FJBIIMVPMQVOIG-LBPRGKRZSA-N 1 2 204.273 2.405 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)CCC(=O)C(C)(C)C ZINC000753709214 585266550 /nfs/dbraw/zinc/26/65/50/585266550.db2.gz HYSJJRIVQSEDOG-JTQLQIEISA-N 1 2 210.321 2.083 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)CCC(=O)C(C)(C)C ZINC000753709214 585266551 /nfs/dbraw/zinc/26/65/51/585266551.db2.gz HYSJJRIVQSEDOG-JTQLQIEISA-N 1 2 210.321 2.083 20 30 BEEDLO CC1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000753934688 585272040 /nfs/dbraw/zinc/27/20/40/585272040.db2.gz JUTFBEBBFMXBQZ-SKVSWLLESA-N 1 2 248.374 2.413 20 30 BEEDLO CC(C)C(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)C1CC1 ZINC000753934716 585272504 /nfs/dbraw/zinc/27/25/04/585272504.db2.gz JWWNYFLTFFEAST-VXGBXAGGSA-N 1 2 248.374 2.268 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNc1ccccc1 ZINC000755461311 585299955 /nfs/dbraw/zinc/29/99/55/585299955.db2.gz BOXNGFCWMHDEEH-UHFFFAOYSA-N 1 2 200.245 2.164 20 30 BEEDLO CON=Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000755633263 585302869 /nfs/dbraw/zinc/30/28/69/585302869.db2.gz BLLJEEIQCYHVNM-UHFFFAOYSA-N 1 2 215.256 2.161 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNc1cc(F)cc(F)c1 ZINC000755660208 585303626 /nfs/dbraw/zinc/30/36/26/585303626.db2.gz DYFNBYBNQOETMW-UHFFFAOYSA-N 1 2 236.225 2.442 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NN[C@@H](C)c1ccccc1 ZINC000755665276 585303795 /nfs/dbraw/zinc/30/37/95/585303795.db2.gz UJNAKFMURKJMMY-JTQLQIEISA-N 1 2 228.299 2.403 20 30 BEEDLO Cc1ccc(F)c(NN=Cc2c[nH+]cn2C)c1 ZINC000755773176 585306842 /nfs/dbraw/zinc/30/68/42/585306842.db2.gz SBQUXTSNRYFMAR-UHFFFAOYSA-N 1 2 232.262 2.314 20 30 BEEDLO Cc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)c(O)c1 ZINC000757476802 585338389 /nfs/dbraw/zinc/33/83/89/585338389.db2.gz SFYFIAQVEIEBMX-SNAWJCMRSA-N 1 2 228.251 2.320 20 30 BEEDLO CC(=NNC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000758130163 585350031 /nfs/dbraw/zinc/35/00/31/585350031.db2.gz WAZXWGXAIQSQAK-UHFFFAOYSA-N 1 2 240.310 2.348 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NOCc1ccc(F)cc1 ZINC000758142118 585350557 /nfs/dbraw/zinc/35/05/57/585350557.db2.gz BBGFDSCIAUQPOL-UHFFFAOYSA-N 1 2 233.246 2.408 20 30 BEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(Cl)nc1 ZINC000759084753 585364077 /nfs/dbraw/zinc/36/40/77/585364077.db2.gz XFMLWHGLLCQSEM-DUXPYHPUSA-N 1 2 233.658 2.354 20 30 BEEDLO C#CCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000760345527 585390967 /nfs/dbraw/zinc/39/09/67/585390967.db2.gz GAQHXRUTKSXDBF-UHFFFAOYSA-N 1 2 222.675 2.000 20 30 BEEDLO C#CC[N@H+](Cc1nc2c(s1)CCC2)C1CC1 ZINC000764682663 585470920 /nfs/dbraw/zinc/47/09/20/585470920.db2.gz KWHIAAGQCACOGQ-UHFFFAOYSA-N 1 2 232.352 2.229 20 30 BEEDLO C#CC[N@@H+](Cc1nc2c(s1)CCC2)C1CC1 ZINC000764682663 585470921 /nfs/dbraw/zinc/47/09/21/585470921.db2.gz KWHIAAGQCACOGQ-UHFFFAOYSA-N 1 2 232.352 2.229 20 30 BEEDLO NC(=[NH+]OCc1ccccn1)c1ccc(F)cc1 ZINC000767535838 585522137 /nfs/dbraw/zinc/52/21/37/585522137.db2.gz RHWGKYNWIPUSFN-UHFFFAOYSA-N 1 2 245.257 2.058 20 30 BEEDLO Cc1n[nH]cc1C[N@@H+](CCC#N)CC(C)C ZINC000768153829 585533089 /nfs/dbraw/zinc/53/30/89/585533089.db2.gz LUGJWRATLHLPSL-UHFFFAOYSA-N 1 2 220.320 2.090 20 30 BEEDLO Cc1n[nH]cc1C[N@H+](CCC#N)CC(C)C ZINC000768153829 585533090 /nfs/dbraw/zinc/53/30/90/585533090.db2.gz LUGJWRATLHLPSL-UHFFFAOYSA-N 1 2 220.320 2.090 20 30 BEEDLO CC[N@@H+](Cc1c(O)cccc1OC)C[C@H](C)C#N ZINC000768881548 585545399 /nfs/dbraw/zinc/54/53/99/585545399.db2.gz PPNZJYXMZLCWGR-LLVKDONJSA-N 1 2 248.326 2.382 20 30 BEEDLO CC[N@H+](Cc1c(O)cccc1OC)C[C@H](C)C#N ZINC000768881548 585545400 /nfs/dbraw/zinc/54/54/00/585545400.db2.gz PPNZJYXMZLCWGR-LLVKDONJSA-N 1 2 248.326 2.382 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000769335100 585554226 /nfs/dbraw/zinc/55/42/26/585554226.db2.gz TWOXIJBIXRYQGV-NSHDSACASA-N 1 2 230.311 2.451 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000769335100 585554227 /nfs/dbraw/zinc/55/42/27/585554227.db2.gz TWOXIJBIXRYQGV-NSHDSACASA-N 1 2 230.311 2.451 20 30 BEEDLO C(=NNC1CCCC1)c1cccc2[nH+]ccn21 ZINC000771099949 585590379 /nfs/dbraw/zinc/59/03/79/585590379.db2.gz HWXVNPCYGKIDDM-UHFFFAOYSA-N 1 2 228.299 2.200 20 30 BEEDLO C=CC[N@H+](CN1C(=O)[C@H]2CCCCC[C@@H]21)C1CC1 ZINC000771641743 585598251 /nfs/dbraw/zinc/59/82/51/585598251.db2.gz ZHUSBKSLMWUODN-KBPBESRZSA-N 1 2 248.370 2.385 20 30 BEEDLO C=CC[N@@H+](CN1C(=O)[C@H]2CCCCC[C@@H]21)C1CC1 ZINC000771641743 585598252 /nfs/dbraw/zinc/59/82/52/585598252.db2.gz ZHUSBKSLMWUODN-KBPBESRZSA-N 1 2 248.370 2.385 20 30 BEEDLO C=CC[N@@H+](CN1C(=O)C(C)(C)C1(C)C)C1CC1 ZINC000771641682 585598289 /nfs/dbraw/zinc/59/82/89/585598289.db2.gz WVXYQCPJMUVUGF-UHFFFAOYSA-N 1 2 236.359 2.241 20 30 BEEDLO C=CC[N@H+](CN1C(=O)C(C)(C)C1(C)C)C1CC1 ZINC000771641682 585598290 /nfs/dbraw/zinc/59/82/90/585598290.db2.gz WVXYQCPJMUVUGF-UHFFFAOYSA-N 1 2 236.359 2.241 20 30 BEEDLO C=CC[N@@H+]([C@H](C)C(=O)OCCCC)C1CC1 ZINC000772382453 585614080 /nfs/dbraw/zinc/61/40/80/585614080.db2.gz RAQHLILWTNIPPT-LLVKDONJSA-N 1 2 225.332 2.369 20 30 BEEDLO C=CC[N@H+]([C@H](C)C(=O)OCCCC)C1CC1 ZINC000772382453 585614081 /nfs/dbraw/zinc/61/40/81/585614081.db2.gz RAQHLILWTNIPPT-LLVKDONJSA-N 1 2 225.332 2.369 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1n[nH]c2ccccc21 ZINC000775180371 585672826 /nfs/dbraw/zinc/67/28/26/585672826.db2.gz WTUZDSRQMCQRMG-JTQLQIEISA-N 1 2 213.284 2.016 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1n[nH]c2ccccc21 ZINC000775180371 585672827 /nfs/dbraw/zinc/67/28/27/585672827.db2.gz WTUZDSRQMCQRMG-JTQLQIEISA-N 1 2 213.284 2.016 20 30 BEEDLO COc1ccc(C[N@H+](CCC#N)C(C)C)nc1 ZINC000775972330 585688539 /nfs/dbraw/zinc/68/85/39/585688539.db2.gz JPWTZMLFONPXPS-UHFFFAOYSA-N 1 2 233.315 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](CCC#N)C(C)C)nc1 ZINC000775972330 585688540 /nfs/dbraw/zinc/68/85/40/585688540.db2.gz JPWTZMLFONPXPS-UHFFFAOYSA-N 1 2 233.315 2.214 20 30 BEEDLO Cc1cc[nH+]cc1CCCN=Nc1cccnn1 ZINC000776728519 585703482 /nfs/dbraw/zinc/70/34/82/585703482.db2.gz FSYKQAVHIVWTOK-UHFFFAOYSA-N 1 2 241.298 2.211 20 30 BEEDLO C=CC[N@@H+](Cc1ncnn1CC(C)C)C(C)C ZINC000778939941 585742373 /nfs/dbraw/zinc/74/23/73/585742373.db2.gz QDBPZMSANCQLML-UHFFFAOYSA-N 1 2 236.363 2.331 20 30 BEEDLO C=CC[N@H+](Cc1ncnn1CC(C)C)C(C)C ZINC000778939941 585742374 /nfs/dbraw/zinc/74/23/74/585742374.db2.gz QDBPZMSANCQLML-UHFFFAOYSA-N 1 2 236.363 2.331 20 30 BEEDLO CCC#C[C@H](C)[N@H+](C)Cc1ncc(Cl)n1C ZINC000778986099 585743558 /nfs/dbraw/zinc/74/35/58/585743558.db2.gz HVPLEZKEVUZMKZ-JTQLQIEISA-N 1 2 239.750 2.307 20 30 BEEDLO CCC#C[C@H](C)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000778986099 585743559 /nfs/dbraw/zinc/74/35/59/585743559.db2.gz HVPLEZKEVUZMKZ-JTQLQIEISA-N 1 2 239.750 2.307 20 30 BEEDLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000779021793 585744339 /nfs/dbraw/zinc/74/43/39/585744339.db2.gz ZNWGEFOWPZVFFD-SNVBAGLBSA-N 1 2 240.310 2.441 20 30 BEEDLO C[C@H](/[NH+]=C\c1cccc(O)c1O)[C@@H]1CCCOC1 ZINC000779707247 585759255 /nfs/dbraw/zinc/75/92/55/585759255.db2.gz LNWHDVQUFLZCAZ-CREGXCKCSA-N 1 2 249.310 2.332 20 30 BEEDLO C#CCOCC[N@@H+](C)Cc1c(F)cccc1F ZINC000780304316 585777498 /nfs/dbraw/zinc/77/74/98/585777498.db2.gz QBMVJLJXNQPTSX-UHFFFAOYSA-N 1 2 239.265 2.046 20 30 BEEDLO C#CCOCC[N@H+](C)Cc1c(F)cccc1F ZINC000780304316 585777499 /nfs/dbraw/zinc/77/74/99/585777499.db2.gz QBMVJLJXNQPTSX-UHFFFAOYSA-N 1 2 239.265 2.046 20 30 BEEDLO C=CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000780318819 585777866 /nfs/dbraw/zinc/77/78/66/585777866.db2.gz OZOOSYVTZBQIEE-OCCSQVGLSA-N 1 2 247.338 2.325 20 30 BEEDLO CCc1ccc(C[NH2+]Cc2ccc(C#N)cn2)o1 ZINC000780555001 585781027 /nfs/dbraw/zinc/78/10/27/585781027.db2.gz LKDMNEROHALADJ-UHFFFAOYSA-N 1 2 241.294 2.398 20 30 BEEDLO CC[C@H](C#N)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000781204902 585793116 /nfs/dbraw/zinc/79/31/16/585793116.db2.gz FJKJUAWAXRDCGD-OLZOCXBDSA-N 1 2 246.310 2.135 20 30 BEEDLO N#CCCCCCC(=O)OCCCn1cc[nH+]c1 ZINC000805697342 585801501 /nfs/dbraw/zinc/80/15/01/585801501.db2.gz XWAXSFBEINHAOB-UHFFFAOYSA-N 1 2 249.314 2.290 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]/CC[C@H]1CCOC1 ZINC000783685996 585840030 /nfs/dbraw/zinc/84/00/30/585840030.db2.gz UBPPFSGZRVOUBT-ZRRZQRFHSA-N 1 2 249.310 2.246 20 30 BEEDLO Cc1cc(F)ccc1C=NNc1[nH+]ccn1C ZINC000790302299 585963181 /nfs/dbraw/zinc/96/31/81/585963181.db2.gz OUTZQGPHIVPTTK-UHFFFAOYSA-N 1 2 232.262 2.314 20 30 BEEDLO Cc1cccc(C=NNc2[nH+]ccn2C)c1 ZINC000790305318 585963251 /nfs/dbraw/zinc/96/32/51/585963251.db2.gz JUDGDGGAEAXOMS-UHFFFAOYSA-N 1 2 214.272 2.175 20 30 BEEDLO Cn1cc[nH+]c1NN=C1CCc2c1cccc2F ZINC000790305166 585963305 /nfs/dbraw/zinc/96/33/05/585963305.db2.gz BTAZXODDWJMXLA-UHFFFAOYSA-N 1 2 244.273 2.322 20 30 BEEDLO Cn1cc[nH+]c1NN=C1CCc2ccc(F)cc21 ZINC000790305702 585963346 /nfs/dbraw/zinc/96/33/46/585963346.db2.gz NINHSJGNGYRHOD-UHFFFAOYSA-N 1 2 244.273 2.322 20 30 BEEDLO COc1ccc(C(C)=NNc2[nH+]ccn2C)cc1 ZINC000790305617 585963480 /nfs/dbraw/zinc/96/34/80/585963480.db2.gz LAMQDWVQNMGSQF-UHFFFAOYSA-N 1 2 244.298 2.265 20 30 BEEDLO C#CC[N@@H+](C)[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000859276203 589027048 /nfs/dbraw/zinc/02/70/48/589027048.db2.gz VSAMQYHVHBZPTJ-GFCCVEGCSA-N 1 2 239.359 2.308 20 30 BEEDLO C#CC[N@H+](C)[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000859276203 589027050 /nfs/dbraw/zinc/02/70/50/589027050.db2.gz VSAMQYHVHBZPTJ-GFCCVEGCSA-N 1 2 239.359 2.308 20 30 BEEDLO C#CC[C@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000792272439 585998762 /nfs/dbraw/zinc/99/87/62/585998762.db2.gz PRAKNTSUBIHDRJ-AWEZNQCLSA-N 1 2 237.306 2.331 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1ncc(C(C)C)o1 ZINC000792406526 586000374 /nfs/dbraw/zinc/00/03/74/586000374.db2.gz KGYMGBIZXFYYSH-UHFFFAOYSA-N 1 2 238.331 2.432 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1ncc(C(C)C)o1 ZINC000792406526 586000375 /nfs/dbraw/zinc/00/03/75/586000375.db2.gz KGYMGBIZXFYYSH-UHFFFAOYSA-N 1 2 238.331 2.432 20 30 BEEDLO C=C(CC)C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000792876816 586006246 /nfs/dbraw/zinc/00/62/46/586006246.db2.gz CLFWMSUDXIVNFD-UHFFFAOYSA-N 1 2 235.302 2.295 20 30 BEEDLO N#Cc1ccc(C[NH+]2CCC(F)(F)CC2)o1 ZINC000793362767 586017402 /nfs/dbraw/zinc/01/74/02/586017402.db2.gz VJICLRRHVPMNHK-UHFFFAOYSA-N 1 2 226.226 2.382 20 30 BEEDLO Cc1[nH+]c(C(C)N=Nc2cccc(F)n2)cn1C ZINC000795006750 586064385 /nfs/dbraw/zinc/06/43/85/586064385.db2.gz KNLIPSRVDRXVRD-UHFFFAOYSA-N 1 2 247.277 2.099 20 30 BEEDLO COc1ccc(C(=O)/C=C\c2cn(C)c[nH+]2)cc1 ZINC000798231941 586141306 /nfs/dbraw/zinc/14/13/06/586141306.db2.gz MHHUHGQRAKEFNY-YVMONPNESA-N 1 2 242.278 2.325 20 30 BEEDLO O=C1C=C(N[NH2+]C2CCCCC2)[C@H]2CCCCN12 ZINC000799486175 586179705 /nfs/dbraw/zinc/17/97/05/586179705.db2.gz TWPSIOVFOKSISV-CYBMUJFWSA-N 1 2 249.358 2.050 20 30 BEEDLO N#C[C@@H]1CC[C@H]([NH2+]c2ccc(OCCO)cc2)C1 ZINC000799724273 586194773 /nfs/dbraw/zinc/19/47/73/586194773.db2.gz JQXFAMDHHZOEQC-YPMHNXCESA-N 1 2 246.310 2.162 20 30 BEEDLO CC(C)(C#N)CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000799961070 586204018 /nfs/dbraw/zinc/20/40/18/586204018.db2.gz ZKFHPDHITJUSOT-UHFFFAOYSA-N 1 2 249.289 2.402 20 30 BEEDLO C=C[C@H](Nc1ccc([NH+](C)C)cc1C)C(=O)OC ZINC000800721542 586227521 /nfs/dbraw/zinc/22/75/21/586227521.db2.gz UBJVLYDZSNDFDB-LBPRGKRZSA-N 1 2 248.326 2.201 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2cccc(O)c2)c1 ZINC000800791536 586228304 /nfs/dbraw/zinc/22/83/04/586228304.db2.gz BRWMIDFQEYOCSA-AATRIKPKSA-N 1 2 228.251 2.022 20 30 BEEDLO CCc1ccc(C(=O)/C=C/c2cn(C)c[nH+]2)o1 ZINC000800794932 586229065 /nfs/dbraw/zinc/22/90/65/586229065.db2.gz UXMDVNLPWWAHQS-GQCTYLIASA-N 1 2 230.267 2.472 20 30 BEEDLO Cc1cncc(C(=O)/C=C/c2cn(C)c[nH+]2)c1 ZINC000800795086 586229225 /nfs/dbraw/zinc/22/92/25/586229225.db2.gz YDJHEWLBODKPDC-ONEGZZNKSA-N 1 2 227.267 2.020 20 30 BEEDLO Cn1c[nH+]c(/C=C2/Cc3cc(F)ccc3C2=O)c1 ZINC000800793151 586229292 /nfs/dbraw/zinc/22/92/92/586229292.db2.gz HYEGUTVJBJVFQJ-POHAHGRESA-N 1 2 242.253 2.382 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccc(C#N)s2)c1 ZINC000800794550 586229568 /nfs/dbraw/zinc/22/95/68/586229568.db2.gz JMHMVTHMZQODAO-DUXPYHPUSA-N 1 2 243.291 2.249 20 30 BEEDLO CC#CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000801111360 586242403 /nfs/dbraw/zinc/24/24/03/586242403.db2.gz KRGNYEAZSOLJNG-UHFFFAOYSA-N 1 2 225.251 2.039 20 30 BEEDLO Cn1c[nH+]c(/C=C2/Cc3ccc(C#N)cc3C2=O)c1 ZINC000811695215 586565943 /nfs/dbraw/zinc/56/59/43/586565943.db2.gz AKBANKIYWHNEPQ-SDQBBNPISA-N 1 2 249.273 2.114 20 30 BEEDLO C#CCCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000840276933 586589554 /nfs/dbraw/zinc/58/95/54/586589554.db2.gz UEJXOTLAVZAITJ-UHFFFAOYSA-N 1 2 230.315 2.266 20 30 BEEDLO C#CCCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000840276933 586589555 /nfs/dbraw/zinc/58/95/55/586589555.db2.gz UEJXOTLAVZAITJ-UHFFFAOYSA-N 1 2 230.315 2.266 20 30 BEEDLO C#Cc1ccc(C[N@H+](C)Cc2ncc[nH]2)cc1 ZINC000813327438 586600588 /nfs/dbraw/zinc/60/05/88/586600588.db2.gz GZRHJUKBLXFYDH-UHFFFAOYSA-N 1 2 225.295 2.023 20 30 BEEDLO C#Cc1ccc(C[N@@H+](C)Cc2ncc[nH]2)cc1 ZINC000813327438 586600589 /nfs/dbraw/zinc/60/05/89/586600589.db2.gz GZRHJUKBLXFYDH-UHFFFAOYSA-N 1 2 225.295 2.023 20 30 BEEDLO C#CCOCSc1[nH+]cc2ccccn21 ZINC000814729346 586630764 /nfs/dbraw/zinc/63/07/64/586630764.db2.gz MSYPIXZWSGVORU-UHFFFAOYSA-N 1 2 218.281 2.034 20 30 BEEDLO C=CCNN=C1CCc2ccc[nH+]c2CC1 ZINC000817328373 586794813 /nfs/dbraw/zinc/79/48/13/586794813.db2.gz YIXJQMKXSBJRSM-UHFFFAOYSA-N 1 2 215.300 2.092 20 30 BEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000819543730 586976199 /nfs/dbraw/zinc/97/61/99/586976199.db2.gz IEEKDOMEICTQCK-SNVBAGLBSA-N 1 2 233.315 2.046 20 30 BEEDLO CC(C)n1c[nH+]cc1C=NNc1ccnc(F)c1 ZINC000819811740 586997169 /nfs/dbraw/zinc/99/71/69/586997169.db2.gz AISSNOFIODAUNE-UHFFFAOYSA-N 1 2 247.277 2.444 20 30 BEEDLO CC(C)n1c[nH+]cc1CN=Nc1ncccc1F ZINC000819813618 586997891 /nfs/dbraw/zinc/99/78/91/586997891.db2.gz QFRJTCKOUPFZSJ-UHFFFAOYSA-N 1 2 247.277 2.444 20 30 BEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000820947583 587083821 /nfs/dbraw/zinc/08/38/21/587083821.db2.gz FPTNYRALKCSIRK-GHMZBOCLSA-N 1 2 233.315 2.046 20 30 BEEDLO C#C[C@](C)(CC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000821003620 587087508 /nfs/dbraw/zinc/08/75/08/587087508.db2.gz DXEJGUFSYLJXNA-CQSZACIVSA-N 1 2 241.294 2.095 20 30 BEEDLO CC[N@@H+](CC#N)CC[C@H]1CC1(Cl)Cl ZINC000822597997 587177201 /nfs/dbraw/zinc/17/72/01/587177201.db2.gz LEFPEDUWSHYIIX-QMMMGPOBSA-N 1 2 221.131 2.416 20 30 BEEDLO CC[N@H+](CC#N)CC[C@H]1CC1(Cl)Cl ZINC000822597997 587177204 /nfs/dbraw/zinc/17/72/04/587177204.db2.gz LEFPEDUWSHYIIX-QMMMGPOBSA-N 1 2 221.131 2.416 20 30 BEEDLO C=C(Cl)C[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000823185225 587206922 /nfs/dbraw/zinc/20/69/22/587206922.db2.gz PVMCVVCFFCIZRE-NSHDSACASA-N 1 2 216.756 2.011 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000823185225 587206923 /nfs/dbraw/zinc/20/69/23/587206923.db2.gz PVMCVVCFFCIZRE-NSHDSACASA-N 1 2 216.756 2.011 20 30 BEEDLO C=CC[N@@H+](Cc1nn(CC)nc1C)C(C)C ZINC000823408489 587220113 /nfs/dbraw/zinc/22/01/13/587220113.db2.gz IOYFPEAYAFEGLR-UHFFFAOYSA-N 1 2 222.336 2.003 20 30 BEEDLO C=CC[N@H+](Cc1nn(CC)nc1C)C(C)C ZINC000823408489 587220114 /nfs/dbraw/zinc/22/01/14/587220114.db2.gz IOYFPEAYAFEGLR-UHFFFAOYSA-N 1 2 222.336 2.003 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cccc(C)c1F ZINC000823453721 587223469 /nfs/dbraw/zinc/22/34/69/587223469.db2.gz XYUAWLIBSJVCCF-UHFFFAOYSA-N 1 2 215.271 2.203 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1ccnc(Cl)c1F ZINC000824153384 587258523 /nfs/dbraw/zinc/25/85/23/587258523.db2.gz JQZNBIXFEWBRFU-SSDOTTSWSA-N 1 2 227.670 2.123 20 30 BEEDLO C=CCCCCCNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000824276231 587264533 /nfs/dbraw/zinc/26/45/33/587264533.db2.gz WXCWZXWVLCDBHR-CMDGGOBGSA-N 1 2 247.342 2.296 20 30 BEEDLO C#CCOc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000824554099 587275638 /nfs/dbraw/zinc/27/56/38/587275638.db2.gz APYFZESFWAWYCM-UHFFFAOYSA-N 1 2 239.265 2.096 20 30 BEEDLO C#Cc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000824554635 587276009 /nfs/dbraw/zinc/27/60/09/587276009.db2.gz JCAJYVGUBFCZOE-UHFFFAOYSA-N 1 2 209.239 2.065 20 30 BEEDLO CC(C)C#CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000824836081 587289907 /nfs/dbraw/zinc/28/99/07/587289907.db2.gz HWXKRYHAYOFNNF-LBPRGKRZSA-N 1 2 245.326 2.123 20 30 BEEDLO N#CCC1C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000826991302 587367309 /nfs/dbraw/zinc/36/73/09/587367309.db2.gz ZJHRUNVEAHQOEO-UHFFFAOYSA-N 1 2 236.702 2.391 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccccc1OC1CC1 ZINC000827950021 587412360 /nfs/dbraw/zinc/41/23/60/587412360.db2.gz SXLJOAOGNLGFBL-UHFFFAOYSA-N 1 2 239.318 2.296 20 30 BEEDLO Cc1nc(N[C@H]2CCn3cc[nH+]c32)ccc1C#N ZINC000828358552 587438137 /nfs/dbraw/zinc/43/81/37/587438137.db2.gz RWBNUZHOZLPEEV-NSHDSACASA-N 1 2 239.282 2.015 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000830240396 587543572 /nfs/dbraw/zinc/54/35/72/587543572.db2.gz SXNDLFFNDUUNIM-NSHDSACASA-N 1 2 215.724 2.240 20 30 BEEDLO C=C(Cl)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000830240396 587543574 /nfs/dbraw/zinc/54/35/74/587543574.db2.gz SXNDLFFNDUUNIM-NSHDSACASA-N 1 2 215.724 2.240 20 30 BEEDLO C#CC1CC[NH+](Cc2noc(CCCC)n2)CC1 ZINC000830321380 587545992 /nfs/dbraw/zinc/54/59/92/587545992.db2.gz IVXBPPJCUTWZBZ-UHFFFAOYSA-N 1 2 247.342 2.257 20 30 BEEDLO C=CC(C)(C)CCCNC(=O)Cc1c[nH+]cn1C ZINC000832718854 587678962 /nfs/dbraw/zinc/67/89/62/587678962.db2.gz RIPDCLATSVVUEL-UHFFFAOYSA-N 1 2 249.358 2.071 20 30 BEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833283567 587704819 /nfs/dbraw/zinc/70/48/19/587704819.db2.gz DCKVYDJNBJJLMX-GFCCVEGCSA-N 1 2 245.326 2.213 20 30 BEEDLO CC1=CCC[C@H](C)[C@H]1C=[NH+]n1ccnn1 ZINC000835010645 587777517 /nfs/dbraw/zinc/77/75/17/587777517.db2.gz FCINJPDUJNYLEL-QWRGUYRKSA-N 1 2 204.277 2.104 20 30 BEEDLO CC1=CCC[C@H](C)[C@@H]1C=[NH+]n1ccnn1 ZINC000835010649 587777523 /nfs/dbraw/zinc/77/75/23/587777523.db2.gz FCINJPDUJNYLEL-WDEREUQCSA-N 1 2 204.277 2.104 20 30 BEEDLO CC1=C[C@H](C)C[C@H](C=[NH+]n2ccnn2)C1 ZINC000835012370 587778084 /nfs/dbraw/zinc/77/80/84/587778084.db2.gz WZRRWOGLTXWLLI-ONGXEEELSA-N 1 2 204.277 2.104 20 30 BEEDLO C#CCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836953743 587843396 /nfs/dbraw/zinc/84/33/96/587843396.db2.gz HLQJXAOWEAHNCA-GHMZBOCLSA-N 1 2 245.326 2.055 20 30 BEEDLO Cc1cc(N(C)C)ccc1C=[NH+]N1CCCC1=O ZINC000841632552 587963016 /nfs/dbraw/zinc/96/30/16/587963016.db2.gz PDDWIBCMAGOKBT-UHFFFAOYSA-N 1 2 245.326 2.017 20 30 BEEDLO CCn1c[nH+]cc1C=NN[C@H](C)C(C)(C)C ZINC000841641995 587965573 /nfs/dbraw/zinc/96/55/73/587965573.db2.gz CYBIKJCIZRKIID-SNVBAGLBSA-N 1 2 222.336 2.261 20 30 BEEDLO CC[C@H](C)CON=CC(C)(C)[NH+]1CCOCC1 ZINC000841642021 587965632 /nfs/dbraw/zinc/96/56/32/587965632.db2.gz DIWKZTPPRJRKES-LBPRGKRZSA-N 1 2 242.363 2.146 20 30 BEEDLO C=CCOCCO[NH+]=C(N)Cc1ccccc1C ZINC000842034352 587991734 /nfs/dbraw/zinc/99/17/34/587991734.db2.gz VHSVAMFISJNEJX-UHFFFAOYSA-N 1 2 248.326 2.239 20 30 BEEDLO CCCON=Cc1cccc2[nH+]ccn21 ZINC000842557156 588042523 /nfs/dbraw/zinc/04/25/23/588042523.db2.gz OBACGWGMXSOYDD-UHFFFAOYSA-N 1 2 203.245 2.095 20 30 BEEDLO C=C(C)CO[NH+]=C(C)c1cc([N+](=O)[O-])ccc1N ZINC000844619159 588209081 /nfs/dbraw/zinc/20/90/81/588209081.db2.gz CQDBNOIEKIIPFA-UHFFFAOYSA-N 1 2 249.270 2.494 20 30 BEEDLO C=C[C@H](C)O[NH+]=Cc1cnc(N(C)C)s1 ZINC000844622169 588209782 /nfs/dbraw/zinc/20/97/82/588209782.db2.gz VWHNYLUOSCRVTN-QMMMGPOBSA-N 1 2 225.317 2.134 20 30 BEEDLO C#CC[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000845483808 588230289 /nfs/dbraw/zinc/23/02/89/588230289.db2.gz OJDMBLRMRVAKIX-AAEUAGOBSA-N 1 2 246.310 2.179 20 30 BEEDLO C=C[C@@H](CC)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845507289 588231427 /nfs/dbraw/zinc/23/14/27/588231427.db2.gz ZKKBOJTUPAGHFH-MNOVXSKESA-N 1 2 222.288 2.342 20 30 BEEDLO C[C@@H]([NH2+]Cc1cnsn1)c1cccc(C#N)c1 ZINC000846843872 588292752 /nfs/dbraw/zinc/29/27/52/588292752.db2.gz JPDRYKHNVVIPPF-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO C[C@H]([NH2+]Cc1cnsn1)c1cccc(C#N)c1 ZINC000846843873 588292839 /nfs/dbraw/zinc/29/28/39/588292839.db2.gz JPDRYKHNVVIPPF-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO C=C(C)C[NH2+]C(C)(C)C(=O)OCCCC ZINC000847060344 588305386 /nfs/dbraw/zinc/30/53/86/588305386.db2.gz IWWSCHGHRYVVHD-UHFFFAOYSA-N 1 2 213.321 2.274 20 30 BEEDLO C#CCCCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000848387193 588375629 /nfs/dbraw/zinc/37/56/29/588375629.db2.gz MVXPSOFMISDHOD-LLVKDONJSA-N 1 2 233.315 2.171 20 30 BEEDLO CC[C@H]1CCC1=NNCCCn1cc[nH+]c1 ZINC000848417353 588381585 /nfs/dbraw/zinc/38/15/85/588381585.db2.gz WNYSMDGUYNXKLS-NSHDSACASA-N 1 2 220.320 2.039 20 30 BEEDLO CC(=NNCCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000848416452 588381609 /nfs/dbraw/zinc/38/16/09/588381609.db2.gz LRHDMRKBDGCYJF-GFCCVEGCSA-N 1 2 234.347 2.285 20 30 BEEDLO CCc1ccc(C=NNCCCn2cc[nH+]c2)o1 ZINC000848419287 588382197 /nfs/dbraw/zinc/38/21/97/588382197.db2.gz WUUJIKICWPHEEZ-UHFFFAOYSA-N 1 2 246.314 2.052 20 30 BEEDLO C=CCOCCC/[NH+]=C/c1cccc(O)c1O ZINC000849172732 588459961 /nfs/dbraw/zinc/45/99/61/588459961.db2.gz YVABDIBNJZIQQV-GXDHUFHOSA-N 1 2 235.283 2.109 20 30 BEEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cscn1 ZINC000849324169 588472666 /nfs/dbraw/zinc/47/26/66/588472666.db2.gz YSIFWKCUHNJOKV-UWVGGRQHSA-N 1 2 234.328 2.237 20 30 BEEDLO COc1cc(C[N@H+](CCC#N)CC(C)C)on1 ZINC000851778089 588626991 /nfs/dbraw/zinc/62/69/91/588626991.db2.gz GBZKTZFTEKJBJS-UHFFFAOYSA-N 1 2 237.303 2.055 20 30 BEEDLO COc1cc(C[N@@H+](CCC#N)CC(C)C)on1 ZINC000851778089 588626992 /nfs/dbraw/zinc/62/69/92/588626992.db2.gz GBZKTZFTEKJBJS-UHFFFAOYSA-N 1 2 237.303 2.055 20 30 BEEDLO C#CCOCC[N@@H+](CC(F)F)CC1CCC1 ZINC000851882113 588639347 /nfs/dbraw/zinc/63/93/47/588639347.db2.gz VHLPIWXMRNICDX-UHFFFAOYSA-N 1 2 231.286 2.003 20 30 BEEDLO C#CCOCC[N@H+](CC(F)F)CC1CCC1 ZINC000851882113 588639348 /nfs/dbraw/zinc/63/93/48/588639348.db2.gz VHLPIWXMRNICDX-UHFFFAOYSA-N 1 2 231.286 2.003 20 30 BEEDLO C#CC[N@@H+](C)Cc1nsc2ccccc21 ZINC000851977873 588650521 /nfs/dbraw/zinc/65/05/21/588650521.db2.gz HSPIAFMODBYUIS-UHFFFAOYSA-N 1 2 216.309 2.361 20 30 BEEDLO C#CC[N@H+](C)Cc1nsc2ccccc21 ZINC000851977873 588650522 /nfs/dbraw/zinc/65/05/22/588650522.db2.gz HSPIAFMODBYUIS-UHFFFAOYSA-N 1 2 216.309 2.361 20 30 BEEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(CC)no1 ZINC000852098974 588662492 /nfs/dbraw/zinc/66/24/92/588662492.db2.gz AGEWHJXYCQZDLB-JOYOIKCWSA-N 1 2 221.304 2.085 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nnc(CC)o1 ZINC000852101748 588663053 /nfs/dbraw/zinc/66/30/53/588663053.db2.gz IEUNQEHPHUJIAS-CABZTGNLSA-N 1 2 221.304 2.085 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+][C@H](CC)C(=O)OC(C)(C)C ZINC000852103212 588663349 /nfs/dbraw/zinc/66/33/49/588663349.db2.gz AKVGQYINSRIDJQ-RISCZKNCSA-N 1 2 239.359 2.498 20 30 BEEDLO CCCCCCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000852189134 588671175 /nfs/dbraw/zinc/67/11/75/588671175.db2.gz XEBXYAAMFYNRIS-UHFFFAOYSA-N 1 2 227.308 2.177 20 30 BEEDLO CCCCCCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000852189134 588671176 /nfs/dbraw/zinc/67/11/76/588671176.db2.gz XEBXYAAMFYNRIS-UHFFFAOYSA-N 1 2 227.308 2.177 20 30 BEEDLO C=C(Cl)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000852444101 588682903 /nfs/dbraw/zinc/68/29/03/588682903.db2.gz NWEUFPAIMLOPHZ-SNVBAGLBSA-N 1 2 215.724 2.382 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000852444101 588682904 /nfs/dbraw/zinc/68/29/04/588682904.db2.gz NWEUFPAIMLOPHZ-SNVBAGLBSA-N 1 2 215.724 2.382 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000852684688 588696019 /nfs/dbraw/zinc/69/60/19/588696019.db2.gz MJRRPWMEIMEVKM-DTWKUNHWSA-N 1 2 233.142 2.416 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000852684688 588696020 /nfs/dbraw/zinc/69/60/20/588696020.db2.gz MJRRPWMEIMEVKM-DTWKUNHWSA-N 1 2 233.142 2.416 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccnc(F)c1C ZINC000862216979 589194929 /nfs/dbraw/zinc/19/49/29/589194929.db2.gz VCTDYEAJDQEQDH-UHFFFAOYSA-N 1 2 221.279 2.265 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccnc(F)c1C ZINC000862216979 589194931 /nfs/dbraw/zinc/19/49/31/589194931.db2.gz VCTDYEAJDQEQDH-UHFFFAOYSA-N 1 2 221.279 2.265 20 30 BEEDLO CO[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863078918 589254714 /nfs/dbraw/zinc/25/47/14/589254714.db2.gz BCBZCCRYTNBYTM-UHFFFAOYSA-N 1 2 214.215 2.011 20 30 BEEDLO C#CCCCC(C)=NNCCCn1cc[nH+]c1 ZINC000863126923 589261280 /nfs/dbraw/zinc/26/12/80/589261280.db2.gz PWBWKBVMVDRGSR-UHFFFAOYSA-N 1 2 232.331 2.042 20 30 BEEDLO Cc1[nH+]c(C(C)N=Nc2cccc(C)n2)cn1C ZINC000863159936 589264615 /nfs/dbraw/zinc/26/46/15/589264615.db2.gz KSMQGJYHVQTLAZ-UHFFFAOYSA-N 1 2 243.314 2.268 20 30 BEEDLO Cn1c[nH+]c(/C=C2\CCc3scnc3C2=O)c1 ZINC000863196677 589270739 /nfs/dbraw/zinc/27/07/39/589270739.db2.gz RCMDHWOJNQJOSH-XBXARRHUSA-N 1 2 245.307 2.089 20 30 BEEDLO CCOc1ccc(/C=[NH+]\[C@H]2C[C@H](OC)C2)c(O)c1 ZINC000864345810 589353985 /nfs/dbraw/zinc/35/39/85/589353985.db2.gz GQHLVHAWULMTSG-RMAUMGCNSA-N 1 2 249.310 2.387 20 30 BEEDLO COc1cccc(/C=[NH+]\C[C@H]2C[C@@H](OC)C2)c1O ZINC000864346049 589354465 /nfs/dbraw/zinc/35/44/65/589354465.db2.gz MSRFVHOKAGVWQZ-YGGHHOMFSA-N 1 2 249.310 2.245 20 30 BEEDLO C=CCN1CC[C@@H](n2c[nH+]c(C(C)(C)C)c2)C1=O ZINC000865376592 589428902 /nfs/dbraw/zinc/42/89/02/589428902.db2.gz VFHHINTYXANJRV-LLVKDONJSA-N 1 2 247.342 2.140 20 30 BEEDLO C#CCCCNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865565545 589447115 /nfs/dbraw/zinc/44/71/15/589447115.db2.gz NPIXQOTVSBBYPJ-UHFFFAOYSA-N 1 2 234.690 2.437 20 30 BEEDLO C=CC[C@H](CO)CNc1cc(CC(C)C)[nH+]cn1 ZINC000865656221 589454567 /nfs/dbraw/zinc/45/45/67/589454567.db2.gz LUXBVAMTRBSLDA-LBPRGKRZSA-N 1 2 249.358 2.272 20 30 BEEDLO N#CC1CN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865830584 589463704 /nfs/dbraw/zinc/46/37/04/589463704.db2.gz RSMADVLDLRHXFN-UHFFFAOYSA-N 1 2 227.189 2.060 20 30 BEEDLO C[C@@H]([NH2+]C1CC1)c1cccc(C#N)c1O ZINC000866212532 589480767 /nfs/dbraw/zinc/48/07/67/589480767.db2.gz HEVITPSOLMPLKZ-MRVPVSSYSA-N 1 2 202.257 2.077 20 30 BEEDLO C[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc(C#N)c1O ZINC000866214404 589481043 /nfs/dbraw/zinc/48/10/43/589481043.db2.gz OIJOASQVGJLXAV-JQWIXIFHSA-N 1 2 246.310 2.093 20 30 BEEDLO CO[C@H](C)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866253584 589483268 /nfs/dbraw/zinc/48/32/68/589483268.db2.gz DFFIPUJGBIEVMG-MNOVXSKESA-N 1 2 248.326 2.339 20 30 BEEDLO C[C@H]([NH2+][C@H]1CCSC1)c1cccc(C#N)c1O ZINC000866303731 589485451 /nfs/dbraw/zinc/48/54/51/589485451.db2.gz OXUZGOOYKVETDS-ONGXEEELSA-N 1 2 248.351 2.420 20 30 BEEDLO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(C#N)c1O ZINC000866318414 589486205 /nfs/dbraw/zinc/48/62/05/589486205.db2.gz YDQSOWBJDFVDDQ-UWVGGRQHSA-N 1 2 248.326 2.074 20 30 BEEDLO C[C@@H]([NH2+]CCCC#N)c1cccc(C#N)c1O ZINC000866334541 589486800 /nfs/dbraw/zinc/48/68/00/589486800.db2.gz AYYHESHXDUAUBB-SNVBAGLBSA-N 1 2 229.283 2.218 20 30 BEEDLO C=CCOCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866337104 589486856 /nfs/dbraw/zinc/48/68/56/589486856.db2.gz OOWUSAVCKJVWDW-NSHDSACASA-N 1 2 246.310 2.117 20 30 BEEDLO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866345610 589487166 /nfs/dbraw/zinc/48/71/66/589487166.db2.gz QXDJLDFVKIRRRI-DCAQKATOSA-N 1 2 248.326 2.338 20 30 BEEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)[C@H](C)O ZINC000866367172 589488189 /nfs/dbraw/zinc/48/81/89/589488189.db2.gz GPBSNZFDWCPSSI-NRUUGDAUSA-N 1 2 248.326 2.074 20 30 BEEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@H](C)O ZINC000866367171 589488400 /nfs/dbraw/zinc/48/84/00/589488400.db2.gz GPBSNZFDWCPSSI-KWBADKCTSA-N 1 2 248.326 2.074 20 30 BEEDLO c1[nH+]c(CN=Nc2ccccn2)cn1C1CC1 ZINC000872330453 589913877 /nfs/dbraw/zinc/91/38/77/589913877.db2.gz HJUPSOVETZAJEM-UHFFFAOYSA-N 1 2 227.271 2.059 20 30 BEEDLO CCC(CC)NN=Cc1c[nH]c2nc[nH+]cc12 ZINC000872352579 589916285 /nfs/dbraw/zinc/91/62/85/589916285.db2.gz YEMJNQNBUYGGLO-UHFFFAOYSA-N 1 2 231.303 2.022 20 30 BEEDLO CC(C)(C)CCNN=Cc1c[nH]c2nc[nH+]cc12 ZINC000872365070 589920854 /nfs/dbraw/zinc/92/08/54/589920854.db2.gz BHRGYDXKAHKPSC-UHFFFAOYSA-N 1 2 245.330 2.269 20 30 BEEDLO CC(C)C1(C[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000876733967 590233965 /nfs/dbraw/zinc/23/39/65/590233965.db2.gz MDDLCTSJQZULGV-AWEZNQCLSA-N 1 2 247.386 2.095 20 30 BEEDLO CC(C)C1(C[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000876733967 590233966 /nfs/dbraw/zinc/23/39/66/590233966.db2.gz MDDLCTSJQZULGV-AWEZNQCLSA-N 1 2 247.386 2.095 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000877320369 590315284 /nfs/dbraw/zinc/31/52/84/590315284.db2.gz ZFXMAKHCBINFCF-SSDOTTSWSA-N 1 2 227.670 2.266 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)cnc1F ZINC000877363046 590318588 /nfs/dbraw/zinc/31/85/88/590318588.db2.gz AXHOWKGAIGYUNU-SNVBAGLBSA-N 1 2 237.278 2.011 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000877363873 590319522 /nfs/dbraw/zinc/31/95/22/590319522.db2.gz IULLKOOEJHZKNF-VIFPVBQESA-N 1 2 245.282 2.315 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1nc(Cl)cs1 ZINC000877473649 590335580 /nfs/dbraw/zinc/33/55/80/590335580.db2.gz OZJYKDZFXCMPDG-UHFFFAOYSA-N 1 2 246.763 2.431 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1nc(Cl)cs1 ZINC000877473649 590335583 /nfs/dbraw/zinc/33/55/83/590335583.db2.gz OZJYKDZFXCMPDG-UHFFFAOYSA-N 1 2 246.763 2.431 20 30 BEEDLO C#C[C@H](C)[NH2+]Cc1c(Cl)cncc1Cl ZINC000877515009 590346264 /nfs/dbraw/zinc/34/62/64/590346264.db2.gz YVHQFVQGNTWDHP-ZETCQYMHSA-N 1 2 229.110 2.500 20 30 BEEDLO C#CC[N@@H+](CC)Cc1scnc1Cl ZINC000878167480 590514014 /nfs/dbraw/zinc/51/40/14/590514014.db2.gz UMPFJOSHSYOEBY-UHFFFAOYSA-N 1 2 214.721 2.252 20 30 BEEDLO C#CC[N@H+](CC)Cc1scnc1Cl ZINC000878167480 590514016 /nfs/dbraw/zinc/51/40/16/590514016.db2.gz UMPFJOSHSYOEBY-UHFFFAOYSA-N 1 2 214.721 2.252 20 30 BEEDLO C=CC[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)OC ZINC000878345044 590552727 /nfs/dbraw/zinc/55/27/27/590552727.db2.gz KZXYLIZYECEKGI-DGCLKSJQSA-N 1 2 233.311 2.455 20 30 BEEDLO N#CCC1(C[N@@H+]2Cc3ccncc3C2)CC1 ZINC000878609279 590595951 /nfs/dbraw/zinc/59/59/51/590595951.db2.gz WAGRAWSFCKUHTE-UHFFFAOYSA-N 1 2 213.284 2.091 20 30 BEEDLO N#CCC1(C[N@H+]2Cc3ccncc3C2)CC1 ZINC000878609279 590595954 /nfs/dbraw/zinc/59/59/54/590595954.db2.gz WAGRAWSFCKUHTE-UHFFFAOYSA-N 1 2 213.284 2.091 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc2c(o1)CCCC2 ZINC000878662099 590605601 /nfs/dbraw/zinc/60/56/01/590605601.db2.gz LXQVJEVPBAFYBD-AWEZNQCLSA-N 1 2 232.327 2.445 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1scnc1Cl ZINC000878820884 590627974 /nfs/dbraw/zinc/62/79/74/590627974.db2.gz PSGYPMSFVVAHOE-ZCFIWIBFSA-N 1 2 215.709 2.188 20 30 BEEDLO C#CCC[N@@H+](CCOC)CC(F)(F)CC ZINC000878997582 590672222 /nfs/dbraw/zinc/67/22/22/590672222.db2.gz AWVQEELXMYHEJQ-UHFFFAOYSA-N 1 2 219.275 2.003 20 30 BEEDLO C#CCC[N@H+](CCOC)CC(F)(F)CC ZINC000878997582 590672226 /nfs/dbraw/zinc/67/22/26/590672226.db2.gz AWVQEELXMYHEJQ-UHFFFAOYSA-N 1 2 219.275 2.003 20 30 BEEDLO Cc1oncc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000879309127 590733119 /nfs/dbraw/zinc/73/31/19/590733119.db2.gz DKYKQBQQCATVJM-JQWIXIFHSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1oncc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000879309127 590733120 /nfs/dbraw/zinc/73/31/20/590733120.db2.gz DKYKQBQQCATVJM-JQWIXIFHSA-N 1 2 219.288 2.107 20 30 BEEDLO C=C(C)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879504827 590783330 /nfs/dbraw/zinc/78/33/30/590783330.db2.gz OTXDBNARVHKMOE-SECBINFHSA-N 1 2 223.238 2.216 20 30 BEEDLO C=C(C)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879504827 590783331 /nfs/dbraw/zinc/78/33/31/590783331.db2.gz OTXDBNARVHKMOE-SECBINFHSA-N 1 2 223.238 2.216 20 30 BEEDLO CCOC(=O)[C@H](CC1CC1)[NH2+][C@H](C)CCC#N ZINC000879982878 590903314 /nfs/dbraw/zinc/90/33/14/590903314.db2.gz OISBQRGFDRGQNQ-PWSUYJOCSA-N 1 2 238.331 2.000 20 30 BEEDLO Cc1csc([C@@H]2CC[N@H+](CCC#N)C2)n1 ZINC000880010268 590909050 /nfs/dbraw/zinc/90/90/50/590909050.db2.gz UAYDJWBCDGLOJF-SNVBAGLBSA-N 1 2 221.329 2.155 20 30 BEEDLO Cc1csc([C@@H]2CC[N@@H+](CCC#N)C2)n1 ZINC000880010268 590909054 /nfs/dbraw/zinc/90/90/54/590909054.db2.gz UAYDJWBCDGLOJF-SNVBAGLBSA-N 1 2 221.329 2.155 20 30 BEEDLO C=CC(C)(C)CC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000880355586 591009900 /nfs/dbraw/zinc/00/99/00/591009900.db2.gz ULMFHCVPOKZDFC-QMMMGPOBSA-N 1 2 226.345 2.196 20 30 BEEDLO N#CC[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880575091 591098785 /nfs/dbraw/zinc/09/87/85/591098785.db2.gz UNMCTZGVJKWINH-CYBMUJFWSA-N 1 2 222.332 2.039 20 30 BEEDLO N#CC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880575091 591098788 /nfs/dbraw/zinc/09/87/88/591098788.db2.gz UNMCTZGVJKWINH-CYBMUJFWSA-N 1 2 222.332 2.039 20 30 BEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc[nH+]c(C)c1C ZINC000882301240 591327608 /nfs/dbraw/zinc/32/76/08/591327608.db2.gz SEODHQXSEOEQPK-QWHCGFSZSA-N 1 2 247.342 2.487 20 30 BEEDLO C=C(C)C[C@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000883007496 591508095 /nfs/dbraw/zinc/50/80/95/591508095.db2.gz XTSFIWWJXHDPFQ-LLVKDONJSA-N 1 2 235.331 2.339 20 30 BEEDLO CCCCCCCCCO[NH+]=C(N)CO ZINC000883012529 591512594 /nfs/dbraw/zinc/51/25/94/591512594.db2.gz JPKKCSOUFMAUOX-UHFFFAOYSA-N 1 2 216.325 2.228 20 30 BEEDLO Cc1cnc(=S)n(C[NH+]2CCC(C#N)CC2)c1 ZINC000131907985 591677033 /nfs/dbraw/zinc/67/70/33/591677033.db2.gz GUBVFORTCVXEFY-UHFFFAOYSA-N 1 2 248.355 2.114 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cccnc1Cl ZINC000134969911 591967030 /nfs/dbraw/zinc/96/70/30/591967030.db2.gz MZHVVUNJQQAWJC-QMMMGPOBSA-N 1 2 209.680 2.127 20 30 BEEDLO CCc1nc(N2CCC[C@H](CC#N)C2)cc[nH+]1 ZINC000884552971 591977036 /nfs/dbraw/zinc/97/70/36/591977036.db2.gz MQWUZSXEVOQFPP-LLVKDONJSA-N 1 2 230.315 2.169 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@](C)(CC)C1 ZINC000135729707 592042260 /nfs/dbraw/zinc/04/22/60/592042260.db2.gz BHHKAHLOXCDVTO-SNVBAGLBSA-N 1 2 203.713 2.240 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000135729707 592042259 /nfs/dbraw/zinc/04/22/59/592042259.db2.gz BHHKAHLOXCDVTO-SNVBAGLBSA-N 1 2 203.713 2.240 20 30 BEEDLO CC(C)[C@H](Cc1ccccc1)[NH2+]CC#N ZINC000886423993 592224593 /nfs/dbraw/zinc/22/45/93/592224593.db2.gz VTEDKBRTMVGMFB-ZDUSSCGKSA-N 1 2 202.301 2.367 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887100497 592441109 /nfs/dbraw/zinc/44/11/09/592441109.db2.gz DCMLNOGJAFZXLW-LLVKDONJSA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887100497 592441111 /nfs/dbraw/zinc/44/11/11/592441111.db2.gz DCMLNOGJAFZXLW-LLVKDONJSA-N 1 2 233.302 2.433 20 30 BEEDLO C[C@@H](C#N)OCC[N@H+](CC(F)F)C1CCC1 ZINC000887102556 592443864 /nfs/dbraw/zinc/44/38/64/592443864.db2.gz UJJYOBJJCXBAII-VIFPVBQESA-N 1 2 232.274 2.035 20 30 BEEDLO C[C@@H](C#N)OCC[N@@H+](CC(F)F)C1CCC1 ZINC000887102556 592443867 /nfs/dbraw/zinc/44/38/67/592443867.db2.gz UJJYOBJJCXBAII-VIFPVBQESA-N 1 2 232.274 2.035 20 30 BEEDLO Oc1cccc(/C=[NH+]/C[C@H]2C=CCC2)c1O ZINC000887268610 592473678 /nfs/dbraw/zinc/47/36/78/592473678.db2.gz PVJNDLNVZWTYQO-RSYJBZMQSA-N 1 2 217.268 2.483 20 30 BEEDLO COC[C@H]1C[C@@H](/[NH+]=C/c2cc(OC)ccc2O)C1 ZINC000887270012 592474414 /nfs/dbraw/zinc/47/44/14/592474414.db2.gz FUWCTJPGPSKENL-MSTGYCADSA-N 1 2 249.310 2.245 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]\CC[C@H]1CCCO1 ZINC000887272287 592474619 /nfs/dbraw/zinc/47/46/19/592474619.db2.gz KXYIJDXTNDQHBZ-MKVLZVNKSA-N 1 2 249.310 2.389 20 30 BEEDLO CCCCCCCC(=O)NCc1cn(C)c[nH+]1 ZINC000890117587 592685553 /nfs/dbraw/zinc/68/55/53/592685553.db2.gz TYPWEQGTLHNVAT-UHFFFAOYSA-N 1 2 237.347 2.397 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)s1 ZINC000335410126 631231413 /nfs/dbraw/zinc/23/14/13/631231413.db2.gz PGIKZJRAPNHNKJ-MRVPVSSYSA-N 1 2 210.277 2.164 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](F)C2)s1 ZINC000335410126 631231408 /nfs/dbraw/zinc/23/14/08/631231408.db2.gz PGIKZJRAPNHNKJ-MRVPVSSYSA-N 1 2 210.277 2.164 20 30 BEEDLO C=C[C@@H](CC)CC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000934426343 631835256 /nfs/dbraw/zinc/83/52/56/631835256.db2.gz TVFVZGXYAMQMAN-NSHDSACASA-N 1 2 235.331 2.245 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000934461170 631857259 /nfs/dbraw/zinc/85/72/59/631857259.db2.gz WCTGAQYAAOVDHW-LBPRGKRZSA-N 1 2 234.347 2.184 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000934461170 631857260 /nfs/dbraw/zinc/85/72/60/631857260.db2.gz WCTGAQYAAOVDHW-LBPRGKRZSA-N 1 2 234.347 2.184 20 30 BEEDLO C#CC[NH+](CC#C)CCC(=O)c1ccc(C)cc1 ZINC000159926673 632565057 /nfs/dbraw/zinc/56/50/57/632565057.db2.gz MYYWYGSIPCHLOP-UHFFFAOYSA-N 1 2 239.318 2.136 20 30 BEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(O)cc1 ZINC000067647653 632588536 /nfs/dbraw/zinc/58/85/36/632588536.db2.gz GIILCYXUXZNGHL-AATRIKPKSA-N 1 2 214.224 2.011 20 30 BEEDLO C#C[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180779631 633051600 /nfs/dbraw/zinc/05/16/00/633051600.db2.gz XTMBAEDSHRIQDB-NSHDSACASA-N 1 2 240.262 2.051 20 30 BEEDLO CC[C@H]([NH2+]CC[C@@H](C)O)c1cccc(C#N)c1O ZINC000925074727 635903369 /nfs/dbraw/zinc/90/33/69/635903369.db2.gz XOYWHIBECFETMT-MFKMUULPSA-N 1 2 248.326 2.075 20 30 BEEDLO CC[C@@H]([NH2+]CC[C@@H](C)O)c1cccc(C#N)c1O ZINC000925074731 635903564 /nfs/dbraw/zinc/90/35/64/635903564.db2.gz XOYWHIBECFETMT-ZWNOBZJWSA-N 1 2 248.326 2.075 20 30 BEEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccoc1 ZINC000309818082 633780889 /nfs/dbraw/zinc/78/08/89/633780889.db2.gz VSESAADKSPMMRO-MRVPVSSYSA-N 1 2 233.296 2.459 20 30 BEEDLO C=C[C@@H](CC)CC(=O)OCCCn1cc[nH+]c1 ZINC000909525991 636168510 /nfs/dbraw/zinc/16/85/10/636168510.db2.gz UFAZAUMASHEODL-LBPRGKRZSA-N 1 2 236.315 2.419 20 30 BEEDLO C=C1CCC(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000895464622 636146777 /nfs/dbraw/zinc/14/67/77/636146777.db2.gz IHINNRMUXQFYII-UHFFFAOYSA-N 1 2 247.342 2.136 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000079829311 636859961 /nfs/dbraw/zinc/85/99/61/636859961.db2.gz AVJXNKKYIWWXDF-ZDUSSCGKSA-N 1 2 230.311 2.301 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000079829311 636859964 /nfs/dbraw/zinc/85/99/64/636859964.db2.gz AVJXNKKYIWWXDF-ZDUSSCGKSA-N 1 2 230.311 2.301 20 30 BEEDLO Oc1cccc(/C=[NH+]/CCC2CC2)c1O ZINC000266309303 636984834 /nfs/dbraw/zinc/98/48/34/636984834.db2.gz DLTVQWQRHPQIQL-MDWZMJQESA-N 1 2 205.257 2.317 20 30 BEEDLO C=C(C)C(C)(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898910118 637064052 /nfs/dbraw/zinc/06/40/52/637064052.db2.gz JKPRTHMPNNZPEI-UHFFFAOYSA-N 1 2 249.358 2.337 20 30 BEEDLO CC(C)(C)c1cn(Cc2cc(C#N)ccn2)c[nH+]1 ZINC000901588752 637264189 /nfs/dbraw/zinc/26/41/89/637264189.db2.gz VZTKIHZWHLFUBL-UHFFFAOYSA-N 1 2 240.310 2.496 20 30 BEEDLO C=CC[C@H]([NH2+]CC(C)(C)C(C)(F)F)C(=O)OC ZINC000905776782 637906879 /nfs/dbraw/zinc/90/68/79/637906879.db2.gz GPVTUYSDCKBPHH-VIFPVBQESA-N 1 2 249.301 2.375 20 30 BEEDLO C=CC[C@H]([NH2+][C@H]1C[C@]1(C)C(C)C)C(=O)OC ZINC000905773362 637929480 /nfs/dbraw/zinc/92/94/80/637929480.db2.gz SXNPFPBELUUQAS-GMXVVIOVSA-N 1 2 225.332 2.128 20 30 BEEDLO C=CC[C@@H]([NH2+][C@@H]1C[C@H]1CC(C)C)C(=O)OC ZINC000905774127 637929845 /nfs/dbraw/zinc/92/98/45/637929845.db2.gz YBDHVZJQVNXEDD-IJLUTSLNSA-N 1 2 225.332 2.128 20 30 BEEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cn1 ZINC000129227768 639067575 /nfs/dbraw/zinc/06/75/75/639067575.db2.gz UFIZRCIWTLQHCR-VIFPVBQESA-N 1 2 221.279 2.421 20 30 BEEDLO C=CCC1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC000909249857 639184234 /nfs/dbraw/zinc/18/42/34/639184234.db2.gz VVZWSKFLPRRIEA-UHFFFAOYSA-N 1 2 247.342 2.205 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1snnc1C ZINC000930693757 639864364 /nfs/dbraw/zinc/86/43/64/639864364.db2.gz TWKRURYNENHTHL-APPZFPTMSA-N 1 2 224.333 2.189 20 30 BEEDLO C=CCCCCCNC(=O)CNc1cccc[nH+]1 ZINC000912049517 639935732 /nfs/dbraw/zinc/93/57/32/639935732.db2.gz MQCNASAAYZALKE-UHFFFAOYSA-N 1 2 247.342 2.356 20 30 BEEDLO N#CC[C@@H](O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000931105587 640066755 /nfs/dbraw/zinc/06/67/55/640066755.db2.gz NZCLJOUKBRKOCC-GHMZBOCLSA-N 1 2 246.301 2.065 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c(C)nn1 ZINC000931476820 640230882 /nfs/dbraw/zinc/23/08/82/640230882.db2.gz RQWSGGKMHPHAIT-JSGCOSHPSA-N 1 2 244.342 2.218 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c(C)nn1 ZINC000931476820 640230887 /nfs/dbraw/zinc/23/08/87/640230887.db2.gz RQWSGGKMHPHAIT-JSGCOSHPSA-N 1 2 244.342 2.218 20 30 BEEDLO C#CC[N@H+](Cc1cc2n(n1)CCCC2)C(C)C ZINC000932383125 640510930 /nfs/dbraw/zinc/51/09/30/640510930.db2.gz FKESXDSDCHNSRQ-UHFFFAOYSA-N 1 2 231.343 2.063 20 30 BEEDLO C#CC[N@@H+](Cc1cc2n(n1)CCCC2)C(C)C ZINC000932383125 640510935 /nfs/dbraw/zinc/51/09/35/640510935.db2.gz FKESXDSDCHNSRQ-UHFFFAOYSA-N 1 2 231.343 2.063 20 30 BEEDLO C#CC[N@H+](Cc1c(C)nn(C)c1Cl)C(C)C ZINC000932393687 640518943 /nfs/dbraw/zinc/51/89/43/640518943.db2.gz YJMJCNPQLUVKHD-UHFFFAOYSA-N 1 2 239.750 2.226 20 30 BEEDLO C#CC[N@@H+](Cc1c(C)nn(C)c1Cl)C(C)C ZINC000932393687 640518949 /nfs/dbraw/zinc/51/89/49/640518949.db2.gz YJMJCNPQLUVKHD-UHFFFAOYSA-N 1 2 239.750 2.226 20 30 BEEDLO C[C@@H]1CCC(=O)C[N@@H+]1CCCC(C)(C)C#N ZINC000932870909 640633422 /nfs/dbraw/zinc/63/34/22/640633422.db2.gz MUFGXBDNLZPMIY-LLVKDONJSA-N 1 2 222.332 2.370 20 30 BEEDLO C[C@@H]1CCC(=O)C[N@H+]1CCCC(C)(C)C#N ZINC000932870909 640633423 /nfs/dbraw/zinc/63/34/23/640633423.db2.gz MUFGXBDNLZPMIY-LLVKDONJSA-N 1 2 222.332 2.370 20 30 BEEDLO C#CCC1([NH2+][C@@H](CCC)C(=O)OCC)CCC1 ZINC000933299103 640695270 /nfs/dbraw/zinc/69/52/70/640695270.db2.gz NIDJCDUJDCWTSR-LBPRGKRZSA-N 1 2 237.343 2.254 20 30 BEEDLO C#CCC1([NH2+][C@H](CCC)C(=O)OCC)CCC1 ZINC000933299102 640700741 /nfs/dbraw/zinc/70/07/41/640700741.db2.gz NIDJCDUJDCWTSR-GFCCVEGCSA-N 1 2 237.343 2.254 20 30 BEEDLO C#CCC1([NH2+]Cc2noc(CCCC)n2)CCC1 ZINC000933301294 640702279 /nfs/dbraw/zinc/70/22/79/640702279.db2.gz MKMJUTZLKOVRHV-UHFFFAOYSA-N 1 2 247.342 2.448 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)c1cc(C)[nH]c1C ZINC000934513323 641180360 /nfs/dbraw/zinc/18/03/60/641180360.db2.gz MJLAQAYHLVFRNW-CYBMUJFWSA-N 1 2 244.338 2.302 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)c1cc(C)[nH]c1C ZINC000934513323 641180366 /nfs/dbraw/zinc/18/03/66/641180366.db2.gz MJLAQAYHLVFRNW-CYBMUJFWSA-N 1 2 244.338 2.302 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ncc(CC)o1 ZINC000934512550 641181253 /nfs/dbraw/zinc/18/12/53/641181253.db2.gz QGLVPNJWPDFDKF-LLVKDONJSA-N 1 2 218.300 2.225 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ncc(CC)o1 ZINC000934512550 641181255 /nfs/dbraw/zinc/18/12/55/641181255.db2.gz QGLVPNJWPDFDKF-LLVKDONJSA-N 1 2 218.300 2.225 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cc(OC)ns1 ZINC000934515542 641183897 /nfs/dbraw/zinc/18/38/97/641183897.db2.gz MYMUONQHMTZLTI-SNVBAGLBSA-N 1 2 236.340 2.139 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ns1 ZINC000934515542 641183904 /nfs/dbraw/zinc/18/39/04/641183904.db2.gz MYMUONQHMTZLTI-SNVBAGLBSA-N 1 2 236.340 2.139 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000934515670 641184735 /nfs/dbraw/zinc/18/47/35/641184735.db2.gz OVVVMTGFCTUWFP-CQSZACIVSA-N 1 2 243.354 2.207 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000934515670 641184737 /nfs/dbraw/zinc/18/47/37/641184737.db2.gz OVVVMTGFCTUWFP-CQSZACIVSA-N 1 2 243.354 2.207 20 30 BEEDLO CSCCCO[NH+]=C(N)c1ccccc1 ZINC000174068028 641235476 /nfs/dbraw/zinc/23/54/76/641235476.db2.gz XZMSVLWGFDBVGX-UHFFFAOYSA-N 1 2 224.329 2.077 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191479267 641923519 /nfs/dbraw/zinc/92/35/19/641923519.db2.gz CBWAHXBAKOXYKL-SSDOTTSWSA-N 1 2 242.681 2.434 20 30 BEEDLO CC[N@@H+](Cc1ccncc1)C[C@H](C#N)CCC#N ZINC000921230833 642588308 /nfs/dbraw/zinc/58/83/08/642588308.db2.gz CJOIWRAOCVDQRS-AWEZNQCLSA-N 1 2 242.326 2.347 20 30 BEEDLO CC[N@H+](Cc1ccncc1)C[C@H](C#N)CCC#N ZINC000921230833 642588314 /nfs/dbraw/zinc/58/83/14/642588314.db2.gz CJOIWRAOCVDQRS-AWEZNQCLSA-N 1 2 242.326 2.347 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(C)cn1)C(C)(C)C ZINC000932463417 643268696 /nfs/dbraw/zinc/26/86/96/643268696.db2.gz HRMYDYOIQQTXNA-UHFFFAOYSA-N 1 2 217.316 2.019 20 30 BEEDLO C#CC[N@H+](Cc1ncc(C)cn1)C(C)(C)C ZINC000932463417 643268703 /nfs/dbraw/zinc/26/87/03/643268703.db2.gz HRMYDYOIQQTXNA-UHFFFAOYSA-N 1 2 217.316 2.019 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000306274174 643313599 /nfs/dbraw/zinc/31/35/99/643313599.db2.gz ARBHVBPHVKSZBD-VHSXEESVSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000306274174 643313602 /nfs/dbraw/zinc/31/36/02/643313602.db2.gz ARBHVBPHVKSZBD-VHSXEESVSA-N 1 2 203.713 2.238 20 30 BEEDLO C=CCC1(C(=O)OCc2ccc[nH+]c2N)CCC1 ZINC000922643881 644048745 /nfs/dbraw/zinc/04/87/45/644048745.db2.gz CTFXMDPXYNEYFG-UHFFFAOYSA-N 1 2 246.310 2.453 20 30 BEEDLO C=C(C)C(C)(C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922816568 644107430 /nfs/dbraw/zinc/10/74/30/644107430.db2.gz OUWUEJSFYFRPOS-UHFFFAOYSA-N 1 2 234.299 2.309 20 30 BEEDLO CCC(C#N)(CC)C(=O)OCc1ccc[nH+]c1N ZINC000922898346 644186552 /nfs/dbraw/zinc/18/65/52/644186552.db2.gz UXGWCJAIBMPBLF-UHFFFAOYSA-N 1 2 247.298 2.037 20 30 BEEDLO C=C1CCC(C(=O)OCc2ccc[nH+]c2N)CC1 ZINC000922940368 644197098 /nfs/dbraw/zinc/19/70/98/644197098.db2.gz AFNGHSDSPQOVOQ-UHFFFAOYSA-N 1 2 246.310 2.453 20 30 BEEDLO COc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000079828927 644214334 /nfs/dbraw/zinc/21/43/34/644214334.db2.gz KQPCOXLQEGHCLJ-ZDUSSCGKSA-N 1 2 230.311 2.431 20 30 BEEDLO COc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000079828927 644214340 /nfs/dbraw/zinc/21/43/40/644214340.db2.gz KQPCOXLQEGHCLJ-ZDUSSCGKSA-N 1 2 230.311 2.431 20 30 BEEDLO NC(Cc1cccnc1)=[NH+]OCCC1CCCC1 ZINC000187183611 644483094 /nfs/dbraw/zinc/48/30/94/644483094.db2.gz QHXIVCZBIWMTRE-UHFFFAOYSA-N 1 2 247.342 2.493 20 30 BEEDLO Cc1noc(C)c1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000091812609 644640175 /nfs/dbraw/zinc/64/01/75/644640175.db2.gz BWZWJEHSUZMNRI-UHFFFAOYSA-N 1 2 245.282 2.388 20 30 BEEDLO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000091812609 644640180 /nfs/dbraw/zinc/64/01/80/644640180.db2.gz BWZWJEHSUZMNRI-UHFFFAOYSA-N 1 2 245.282 2.388 20 30 BEEDLO C=C(C)CO[NH+]=C(N)Cc1ccccc1C ZINC000092897003 644670654 /nfs/dbraw/zinc/67/06/54/644670654.db2.gz AEGDAGQYXLPAEM-UHFFFAOYSA-N 1 2 218.300 2.402 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000775177602 644700235 /nfs/dbraw/zinc/70/02/35/644700235.db2.gz BLLIWYMJIBIFRJ-JTQLQIEISA-N 1 2 234.368 2.475 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000775177602 644700245 /nfs/dbraw/zinc/70/02/45/644700245.db2.gz BLLIWYMJIBIFRJ-JTQLQIEISA-N 1 2 234.368 2.475 20 30 BEEDLO C=C(C)[C@@H]1CC=C(C)C(=NNC2=[NH+][C@@H](C)CN2)C1 ZINC000779797747 644714496 /nfs/dbraw/zinc/71/44/96/644714496.db2.gz JAKJPZUOYWMGGZ-NWDGAFQWSA-N 1 2 246.358 2.212 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)OCCc1c[nH+]cn1C ZINC000793240288 644801578 /nfs/dbraw/zinc/80/15/78/644801578.db2.gz YSYCKQXRTSAYSQ-NSHDSACASA-N 1 2 236.315 2.108 20 30 BEEDLO C#CCCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817459439 644983321 /nfs/dbraw/zinc/98/33/21/644983321.db2.gz ZWENHSJYBSSSSA-UHFFFAOYSA-N 1 2 230.311 2.118 20 30 BEEDLO CCc1nc(C[NH2+]Cc2cccc(C#N)c2)co1 ZINC000825049816 645060671 /nfs/dbraw/zinc/06/06/71/645060671.db2.gz CMQRGNARYRNSLZ-UHFFFAOYSA-N 1 2 241.294 2.398 20 30 BEEDLO CCc1nc(C[NH2+]Cc2ccc(C#N)s2)co1 ZINC000825050196 645060948 /nfs/dbraw/zinc/06/09/48/645060948.db2.gz KGMOANKZAZPCII-UHFFFAOYSA-N 1 2 247.323 2.460 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cc(C2CC2)no1 ZINC000851798280 645467532 /nfs/dbraw/zinc/46/75/32/645467532.db2.gz AYLGTYNKNVBKSI-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO C#CC[N@H+](CC)Cc1cc(C2CC2)no1 ZINC000851798280 645467535 /nfs/dbraw/zinc/46/75/35/645467535.db2.gz AYLGTYNKNVBKSI-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO Cc1cccc([C@@H](O)C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000929472717 646130882 /nfs/dbraw/zinc/13/08/82/646130882.db2.gz RGUNQROPEHPPPT-OCCSQVGLSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1cccc([C@@H](O)C[N@H+](C)C[C@H](C)C#N)c1 ZINC000929472717 646130888 /nfs/dbraw/zinc/13/08/88/646130888.db2.gz RGUNQROPEHPPPT-OCCSQVGLSA-N 1 2 232.327 2.120 20 30 BEEDLO C=C1CCN(Cc2[nH]c(C)[nH+]c2C)CC1 ZINC000929604500 646195221 /nfs/dbraw/zinc/19/52/21/646195221.db2.gz RRQKAIDHCNWNCD-UHFFFAOYSA-N 1 2 205.305 2.179 20 30 BEEDLO C=C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC000929603506 646195725 /nfs/dbraw/zinc/19/57/25/646195725.db2.gz JYZSUCKQHXMGAJ-NSHDSACASA-N 1 2 203.289 2.190 20 30 BEEDLO Cc1cc(C)[nH+]c(CN(CCC#N)CCC#N)c1 ZINC000930107418 646438031 /nfs/dbraw/zinc/43/80/31/646438031.db2.gz HFHHBJYPYIRFQJ-UHFFFAOYSA-N 1 2 242.326 2.328 20 30 BEEDLO CC[C@@H]([NH2+]CCCCO)c1cccc(C#N)c1O ZINC000926305510 646613896 /nfs/dbraw/zinc/61/38/96/646613896.db2.gz UGGFNMNSOAEVGM-CYBMUJFWSA-N 1 2 248.326 2.077 20 30 BEEDLO CCCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000138973028 711658128 /nfs/dbraw/zinc/65/81/28/711658128.db2.gz UGXTWWOOHDMUIU-UHFFFAOYSA-N 1 2 223.320 2.039 20 30 BEEDLO C=C(Br)C[N@@H+](CC)[C@@H]1CCOC1 ZINC000388511556 711890960 /nfs/dbraw/zinc/89/09/60/711890960.db2.gz RJAJCWVMJKFRSO-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@H+](CC)[C@@H]1CCOC1 ZINC000388511556 711890962 /nfs/dbraw/zinc/89/09/62/711890962.db2.gz RJAJCWVMJKFRSO-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO CCCCCCCNc1nc(N)nc(C)[nH+]1 ZINC000703708781 712083879 /nfs/dbraw/zinc/08/38/79/712083879.db2.gz OLHUGWYKGDCVKB-UHFFFAOYSA-N 1 2 223.324 2.145 20 30 BEEDLO Cc1cnccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000707800729 712178158 /nfs/dbraw/zinc/17/81/58/712178158.db2.gz LXJBAOXWPYPQHT-LBPRGKRZSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cnccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000707800729 712178159 /nfs/dbraw/zinc/17/81/59/712178159.db2.gz LXJBAOXWPYPQHT-LBPRGKRZSA-N 1 2 215.300 2.126 20 30 BEEDLO COCCO[NH+]=C(C)c1ccc(N)cc1Cl ZINC000381635275 710664313 /nfs/dbraw/zinc/66/43/13/710664313.db2.gz OCDRPBGZPIMCON-UHFFFAOYSA-N 1 2 242.706 2.309 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H]2C=CCC2)C1 ZINC001042458419 710784280 /nfs/dbraw/zinc/78/42/80/710784280.db2.gz NOCOHWACFUMZMD-ZDUSSCGKSA-N 1 2 248.370 2.061 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(C)c(C)o1 ZINC000384195060 710813636 /nfs/dbraw/zinc/81/36/36/710813636.db2.gz XPMLOKRDLQRTJW-GFCCVEGCSA-N 1 2 206.289 2.183 20 30 BEEDLO Cc1cc(C)[nH+]c(CN(CC#N)C2CC2)c1 ZINC000723621890 711526559 /nfs/dbraw/zinc/52/65/59/711526559.db2.gz SCEGEXATZCJSSJ-UHFFFAOYSA-N 1 2 215.300 2.186 20 30 BEEDLO C[C@H](c1ccncc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC000260018466 711749919 /nfs/dbraw/zinc/74/99/19/711749919.db2.gz ODXAYHNGMHPFBP-VXGBXAGGSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1ccncc1)[N@H+]1CCC[C@H](C#N)C1 ZINC000260018466 711749920 /nfs/dbraw/zinc/74/99/20/711749920.db2.gz ODXAYHNGMHPFBP-VXGBXAGGSA-N 1 2 215.300 2.378 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(C(=O)OC)c(CC)o1 ZINC000897166657 711784605 /nfs/dbraw/zinc/78/46/05/711784605.db2.gz BLMDGKBUTFQHBF-UHFFFAOYSA-N 1 2 249.310 2.084 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(C(=O)OC)c(CC)o1 ZINC000897166657 711784606 /nfs/dbraw/zinc/78/46/06/711784606.db2.gz BLMDGKBUTFQHBF-UHFFFAOYSA-N 1 2 249.310 2.084 20 30 BEEDLO C=C1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000912446293 711820550 /nfs/dbraw/zinc/82/05/50/711820550.db2.gz PEPUEYSYHVJGKS-UHFFFAOYSA-N 1 2 216.284 2.019 20 30 BEEDLO C#CC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000165748227 711826336 /nfs/dbraw/zinc/82/63/36/711826336.db2.gz AQKUAAKDDPRVCD-UHFFFAOYSA-N 1 2 248.757 2.091 20 30 BEEDLO C#CCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000165748227 711826338 /nfs/dbraw/zinc/82/63/38/711826338.db2.gz AQKUAAKDDPRVCD-UHFFFAOYSA-N 1 2 248.757 2.091 20 30 BEEDLO CCC(C#N)(CC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922894903 712056514 /nfs/dbraw/zinc/05/65/14/712056514.db2.gz CDRXGZIOOUQXOX-UHFFFAOYSA-N 1 2 247.298 2.037 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cn(C)cn1 ZINC000710177808 712247042 /nfs/dbraw/zinc/24/70/42/712247042.db2.gz PPSAVTZEVAIFJQ-NSHDSACASA-N 1 2 232.331 2.155 20 30 BEEDLO CC1(C)CC[C@H](C[N@@H+]2CCC[C@H](C#N)C2)OC1 ZINC000713619852 712467885 /nfs/dbraw/zinc/46/78/85/712467885.db2.gz OVCHBUSTBUFYLZ-CHWSQXEVSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CC[C@H](C[N@H+]2CCC[C@H](C#N)C2)OC1 ZINC000713619852 712467886 /nfs/dbraw/zinc/46/78/86/712467886.db2.gz OVCHBUSTBUFYLZ-CHWSQXEVSA-N 1 2 236.359 2.427 20 30 BEEDLO C=CCC1(O)CC[NH+](Cc2cscn2)CC1 ZINC000717425756 712658126 /nfs/dbraw/zinc/65/81/26/712658126.db2.gz ZJWGUXUPNDKYCH-UHFFFAOYSA-N 1 2 238.356 2.046 20 30 BEEDLO C=CC[N@@H+](CCCC(C)(F)F)CC(=O)OCC ZINC000718577780 712775646 /nfs/dbraw/zinc/77/56/46/712775646.db2.gz VVOGOLDCIGHFAR-UHFFFAOYSA-N 1 2 249.301 2.473 20 30 BEEDLO C=CC[N@H+](CCCC(C)(F)F)CC(=O)OCC ZINC000718577780 712775647 /nfs/dbraw/zinc/77/56/47/712775647.db2.gz VVOGOLDCIGHFAR-UHFFFAOYSA-N 1 2 249.301 2.473 20 30 BEEDLO C=CCCCC[N@@H+]1Cc2cncnc2C1 ZINC001209200178 957349172 /nfs/dbraw/zinc/34/91/72/957349172.db2.gz DCRBLYPLKXXNJL-UHFFFAOYSA-N 1 2 203.289 2.149 20 30 BEEDLO C=CCCCC[N@H+]1Cc2cncnc2C1 ZINC001209200178 957349183 /nfs/dbraw/zinc/34/91/83/957349183.db2.gz DCRBLYPLKXXNJL-UHFFFAOYSA-N 1 2 203.289 2.149 20 30 BEEDLO C=CC[NH+]1CCN(c2cc(C)cc(C)n2)CC1 ZINC001165033801 721863384 /nfs/dbraw/zinc/86/33/84/721863384.db2.gz XTNXJVKITXZKRC-UHFFFAOYSA-N 1 2 231.343 2.006 20 30 BEEDLO C=C(C)C(=O)OCCNc1[nH+]ccc(F)c1C ZINC001157304872 963575657 /nfs/dbraw/zinc/57/56/57/963575657.db2.gz NYLMRNHJORMQJL-UHFFFAOYSA-N 1 2 238.262 2.060 20 30 BEEDLO CCCC[N@H+](CC#N)[C@H]1CCO[C@@H](C)C1 ZINC001168139635 963842070 /nfs/dbraw/zinc/84/20/70/963842070.db2.gz UXHZRFGXGYJETA-RYUDHWBXSA-N 1 2 210.321 2.180 20 30 BEEDLO CCCC[N@@H+](CC#N)[C@H]1CCO[C@@H](C)C1 ZINC001168139635 963842072 /nfs/dbraw/zinc/84/20/72/963842072.db2.gz UXHZRFGXGYJETA-RYUDHWBXSA-N 1 2 210.321 2.180 20 30 BEEDLO Cc1c(F)cc[nH+]c1NCCCS ZINC001159869944 964217530 /nfs/dbraw/zinc/21/75/30/964217530.db2.gz XQOBFPODQGQFJS-UHFFFAOYSA-N 1 2 200.282 2.261 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1ccncc1 ZINC001204080791 966884911 /nfs/dbraw/zinc/88/49/11/966884911.db2.gz UZBGVRBOOUQGLY-UHFFFAOYSA-N 1 2 203.289 2.207 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1ccncc1 ZINC001204080791 966884919 /nfs/dbraw/zinc/88/49/19/966884919.db2.gz UZBGVRBOOUQGLY-UHFFFAOYSA-N 1 2 203.289 2.207 20 30 BEEDLO Cc1[nH+]c[nH]c1CN(CCC#N)C1CCCC1 ZINC001204588568 967084230 /nfs/dbraw/zinc/08/42/30/967084230.db2.gz LGNIAWFKDIEUPF-UHFFFAOYSA-N 1 2 232.331 2.376 20 30 BEEDLO CC1(C#N)C[NH+](C[C@H]2CCOC(C)(C)C2)C1 ZINC001207353614 968730534 /nfs/dbraw/zinc/73/05/34/968730534.db2.gz OKQBAIAUICTZQJ-NSHDSACASA-N 1 2 222.332 2.037 20 30 BEEDLO CC(C)(C#N)[NH2+]C1CCC(F)(F)CC1 ZINC001254207488 969538535 /nfs/dbraw/zinc/53/85/35/969538535.db2.gz DLBMKTACMNYEAK-UHFFFAOYSA-N 1 2 202.248 2.456 20 30 BEEDLO N#Cc1ccc(Nc2ccc(N)[nH+]c2)cc1C#N ZINC000236359955 1166495357 /nfs/dbraw/zinc/49/53/57/1166495357.db2.gz FAHUSGIRFRZROQ-UHFFFAOYSA-N 1 2 235.250 2.151 20 30 BEEDLO C[C@H](CC(F)(F)F)[N@@H+]1CC[C@H](C#N)C1 ZINC001255656622 970429814 /nfs/dbraw/zinc/42/98/14/970429814.db2.gz XXOQXZYYVORNMA-HTQZYQBOSA-N 1 2 206.211 2.173 20 30 BEEDLO C[C@H](CC(F)(F)F)[N@H+]1CC[C@H](C#N)C1 ZINC001255656622 970429823 /nfs/dbraw/zinc/42/98/23/970429823.db2.gz XXOQXZYYVORNMA-HTQZYQBOSA-N 1 2 206.211 2.173 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CC[C@@H](CC)C1 ZINC001173264152 975121156 /nfs/dbraw/zinc/12/11/56/975121156.db2.gz LXZAXVUREBCOEE-VWYCJHECSA-N 1 2 245.388 2.016 20 30 BEEDLO C=CCOC1CCC([NH2+][C@@H](C#N)CC)CC1 ZINC001173316955 975303805 /nfs/dbraw/zinc/30/38/05/975303805.db2.gz PQOHRLDJLKCOOL-PNESKVBLSA-N 1 2 222.332 2.392 20 30 BEEDLO C#CC[N@H+](CC1CC1)[C@@H](C)C(=O)OC(C)(C)C ZINC000382472536 1167101841 /nfs/dbraw/zinc/10/18/41/1167101841.db2.gz DFEHAFVZUMWKLO-NSHDSACASA-N 1 2 237.343 2.062 20 30 BEEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)C(=O)OC(C)(C)C ZINC000382472536 1167101844 /nfs/dbraw/zinc/10/18/44/1167101844.db2.gz DFEHAFVZUMWKLO-NSHDSACASA-N 1 2 237.343 2.062 20 30 BEEDLO C=CC(C)(C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001142591877 1167559867 /nfs/dbraw/zinc/55/98/67/1167559867.db2.gz BHVJMZSXPAUHET-UHFFFAOYSA-N 1 2 247.342 2.328 20 30 BEEDLO CC[N@H+](Cc1cc(C#N)ccc1O)C(C)C ZINC001232674334 978238576 /nfs/dbraw/zinc/23/85/76/978238576.db2.gz WZOGHJMNFPUVRC-UHFFFAOYSA-N 1 2 218.300 2.494 20 30 BEEDLO CC[N@@H+](Cc1cc(C#N)ccc1O)C(C)C ZINC001232674334 978238587 /nfs/dbraw/zinc/23/85/87/978238587.db2.gz WZOGHJMNFPUVRC-UHFFFAOYSA-N 1 2 218.300 2.494 20 30 BEEDLO C=CC[N@@H+](C)Cc1cc(O)c(F)c(F)c1 ZINC001232973374 978377446 /nfs/dbraw/zinc/37/74/46/978377446.db2.gz VOOJDMOZCJVVIF-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO C=CC[N@H+](C)Cc1cc(O)c(F)c(F)c1 ZINC001232973374 978377452 /nfs/dbraw/zinc/37/74/52/978377452.db2.gz VOOJDMOZCJVVIF-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO C#CCCC1(CCNc2[nH+]cccc2OC)N=N1 ZINC001163377584 1168410072 /nfs/dbraw/zinc/41/00/72/1168410072.db2.gz GGFMSXBVXXWBTL-UHFFFAOYSA-N 1 2 244.298 2.468 20 30 BEEDLO C=CCCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001344128164 980355026 /nfs/dbraw/zinc/35/50/26/980355026.db2.gz UDMTYKJJTMCHAY-UHFFFAOYSA-N 1 2 222.288 2.128 20 30 BEEDLO N#CC1(c2cc[nH+]c(N[C@H]3CCCOC3)c2)CC1 ZINC001169662543 1168498799 /nfs/dbraw/zinc/49/87/99/1168498799.db2.gz NVPHNIOUAQKBPA-LBPRGKRZSA-N 1 2 243.310 2.228 20 30 BEEDLO C#Cc1cc(Nc2ccc(OC)cc2C#N)cc[nH+]1 ZINC001212779883 1168923101 /nfs/dbraw/zinc/92/31/01/1168923101.db2.gz KBRBLJTVHRWXGI-UHFFFAOYSA-N 1 2 249.273 2.109 20 30 BEEDLO C#CC[N@H+]1CCC[C@@H](Nc2ncccc2Cl)C1 ZINC000884611303 1168975984 /nfs/dbraw/zinc/97/59/84/1168975984.db2.gz JAFDHLYWXBFOEZ-LLVKDONJSA-N 1 2 249.745 2.245 20 30 BEEDLO C#CC[N@@H+]1CCC[C@@H](Nc2ncccc2Cl)C1 ZINC000884611303 1168975989 /nfs/dbraw/zinc/97/59/89/1168975989.db2.gz JAFDHLYWXBFOEZ-LLVKDONJSA-N 1 2 249.745 2.245 20 30 BEEDLO C=CC[N@H+](C)Cc1c(Cl)n[nH]c1CC ZINC001355283275 983461746 /nfs/dbraw/zinc/46/17/46/983461746.db2.gz IDNGVNKMYJEAED-UHFFFAOYSA-N 1 2 213.712 2.243 20 30 BEEDLO Cc1cc(N)nc(SCc2ccc(C#N)o2)[nH+]1 ZINC001458854888 1169132201 /nfs/dbraw/zinc/13/22/01/1169132201.db2.gz AALAMDGFBGTBSV-UHFFFAOYSA-N 1 2 246.295 2.124 20 30 BEEDLO C#Cc1cc(Nc2cc(F)c(O)cc2F)cc[nH+]1 ZINC001215570198 970784929 /nfs/dbraw/zinc/78/49/29/970784929.db2.gz OFUOHAOXXHIOGT-UHFFFAOYSA-N 1 2 246.216 2.212 20 30 BEEDLO COc1ccc(-c2ccc[nH+]c2N)c(C#N)c1 ZINC001243726338 970886319 /nfs/dbraw/zinc/88/63/19/970886319.db2.gz RDIWJFITHRWYAH-UHFFFAOYSA-N 1 2 225.251 2.211 20 30 BEEDLO C#Cc1cc(Nc2cc(C)c(F)c(O)c2)cc[nH+]1 ZINC001216077246 970925469 /nfs/dbraw/zinc/92/54/69/970925469.db2.gz CGCBVXDJFITIAY-UHFFFAOYSA-N 1 2 242.253 2.382 20 30 BEEDLO N#CC1CCC([N@@H+]2CCC[C@H](F)C(=O)C2)CC1 ZINC001256964816 971035711 /nfs/dbraw/zinc/03/57/11/971035711.db2.gz DGENAPPLYOKXAZ-MCIGGMRASA-N 1 2 238.306 2.072 20 30 BEEDLO N#CC1CCC([N@H+]2CCC[C@H](F)C(=O)C2)CC1 ZINC001256964816 971035722 /nfs/dbraw/zinc/03/57/22/971035722.db2.gz DGENAPPLYOKXAZ-MCIGGMRASA-N 1 2 238.306 2.072 20 30 BEEDLO CC[C@](C)(C#N)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257081493 971080196 /nfs/dbraw/zinc/08/01/96/971080196.db2.gz PQNPTDNLYHYGLY-JBLDHEPKSA-N 1 2 210.321 2.224 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257074670 971089427 /nfs/dbraw/zinc/08/94/27/971089427.db2.gz SDVSPWJZVDEKON-YVECIDJPSA-N 1 2 224.348 2.470 20 30 BEEDLO CC(C)=CCC[C@H](C)CN1CC[NH2+]C[C@H]1C#N ZINC001210122430 1169519470 /nfs/dbraw/zinc/51/94/70/1169519470.db2.gz QMLFTOVOSAAUTF-UONOGXRCSA-N 1 2 235.375 2.166 20 30 BEEDLO CCC[C@@H](CC)[NH2+]C1(C#N)CCOCC1 ZINC001257253122 971150840 /nfs/dbraw/zinc/15/08/40/971150840.db2.gz KSZFEXWTKKIIFA-LLVKDONJSA-N 1 2 210.321 2.227 20 30 BEEDLO O=C1C=C2C[N@H+](C3CCCC3)CCC2S1 ZINC001257351223 971261288 /nfs/dbraw/zinc/26/12/88/971261288.db2.gz XRMUCWIPPXRYPI-NSHDSACASA-N 1 2 223.341 2.203 20 30 BEEDLO O=C1C=C2C[N@@H+](C3CCCC3)CCC2S1 ZINC001257351223 971261292 /nfs/dbraw/zinc/26/12/92/971261292.db2.gz XRMUCWIPPXRYPI-NSHDSACASA-N 1 2 223.341 2.203 20 30 BEEDLO O=C1C=C2C[N@H+](C3CCCC3)CC[C@@H]2S1 ZINC001257351223 971261300 /nfs/dbraw/zinc/26/13/00/971261300.db2.gz XRMUCWIPPXRYPI-NSHDSACASA-N 1 2 223.341 2.203 20 30 BEEDLO O=C1C=C2C[N@@H+](C3CCCC3)CC[C@@H]2S1 ZINC001257351223 971261305 /nfs/dbraw/zinc/26/13/05/971261305.db2.gz XRMUCWIPPXRYPI-NSHDSACASA-N 1 2 223.341 2.203 20 30 BEEDLO CC(C)OC1CCC([N@H+](C)CC#N)CC1 ZINC001257883230 971519139 /nfs/dbraw/zinc/51/91/39/971519139.db2.gz TULCYVJPZRBLKI-UHFFFAOYSA-N 1 2 210.321 2.178 20 30 BEEDLO CC(C)OC1CCC([N@@H+](C)CC#N)CC1 ZINC001257883230 971519147 /nfs/dbraw/zinc/51/91/47/971519147.db2.gz TULCYVJPZRBLKI-UHFFFAOYSA-N 1 2 210.321 2.178 20 30 BEEDLO CC(C)C[C@H](C#N)[NH2+]C1CCC2(COC2)CC1 ZINC001257900476 971532973 /nfs/dbraw/zinc/53/29/73/971532973.db2.gz CDWUUHAQDCFQKU-CYBMUJFWSA-N 1 2 236.359 2.473 20 30 BEEDLO CC[C@](C)(C#N)[NH2+]C1CCC2(COC2)CC1 ZINC001257900398 971534262 /nfs/dbraw/zinc/53/42/62/971534262.db2.gz YIMRGIGSFMXBNC-GFCCVEGCSA-N 1 2 222.332 2.227 20 30 BEEDLO N#C[C@@H]1CCCC[N@@H+]1C1CCC2(COC2)CC1 ZINC001257910661 971542960 /nfs/dbraw/zinc/54/29/60/971542960.db2.gz GTVVXUVNTVQNCK-ZDUSSCGKSA-N 1 2 234.343 2.324 20 30 BEEDLO N#C[C@@H]1CCCC[N@H+]1C1CCC2(COC2)CC1 ZINC001257910661 971542972 /nfs/dbraw/zinc/54/29/72/971542972.db2.gz GTVVXUVNTVQNCK-ZDUSSCGKSA-N 1 2 234.343 2.324 20 30 BEEDLO N#CC1([NH2+][C@@H]2CCCOCC2)CCCCC1 ZINC001170776738 971805001 /nfs/dbraw/zinc/80/50/01/971805001.db2.gz STZBATWHRROMCL-GFCCVEGCSA-N 1 2 222.332 2.372 20 30 BEEDLO CC(C)C[C@@H](C#N)[NH2+][C@H]1CCCOCC1 ZINC001170792433 971831958 /nfs/dbraw/zinc/83/19/58/971831958.db2.gz NKJMZZRCZHMAKE-RYUDHWBXSA-N 1 2 210.321 2.083 20 30 BEEDLO SCCCNc1cc2cc[nH]c2c[nH+]1 ZINC001170999212 972223520 /nfs/dbraw/zinc/22/35/20/972223520.db2.gz APHSCTORJCGMBJ-UHFFFAOYSA-N 1 2 207.302 2.295 20 30 BEEDLO Cc1nc(NCCCS)c2c([nH+]1)CCCC2 ZINC001171001182 972227369 /nfs/dbraw/zinc/22/73/69/972227369.db2.gz SREQQUMXTYDDIY-UHFFFAOYSA-N 1 2 237.372 2.396 20 30 BEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H](C)CC ZINC001266378025 957410738 /nfs/dbraw/zinc/41/07/38/957410738.db2.gz MWYLXRHUCKYARY-JTQLQIEISA-N 1 2 246.782 2.223 20 30 BEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H](C)CC ZINC001266378025 957410745 /nfs/dbraw/zinc/41/07/45/957410745.db2.gz MWYLXRHUCKYARY-JTQLQIEISA-N 1 2 246.782 2.223 20 30 BEEDLO C#Cc1cc(Nc2cncc(SC)c2)cc[nH+]1 ZINC001211068931 958014221 /nfs/dbraw/zinc/01/42/21/958014221.db2.gz IQYFLHSZJSULPW-UHFFFAOYSA-N 1 2 241.319 2.345 20 30 BEEDLO Cc1c[nH+]cc(Nc2ccnc(C#N)c2)c1C ZINC001213522613 958196825 /nfs/dbraw/zinc/19/68/25/958196825.db2.gz DDSXAFIOQMLDFP-UHFFFAOYSA-N 1 2 224.267 2.131 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(F)cc(F)c1C ZINC001143768745 972358522 /nfs/dbraw/zinc/35/85/22/972358522.db2.gz AEVOPOOWIGRRBA-UHFFFAOYSA-N 1 2 233.261 2.342 20 30 BEEDLO C#C[C@@H](CCCCC)OCCn1cc[nH+]c1 ZINC001222134645 972384774 /nfs/dbraw/zinc/38/47/74/972384774.db2.gz IXGHMBHZKIXPLW-ZDUSSCGKSA-N 1 2 220.316 2.482 20 30 BEEDLO C=CCN1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001140779977 960561341 /nfs/dbraw/zinc/56/13/41/960561341.db2.gz ILLHRCGYJCKZKM-UHFFFAOYSA-N 1 2 248.345 2.438 20 30 BEEDLO N#C[C@H]1CCCCN1Cc1ccn2cc[nH+]c2c1 ZINC001141046105 960836108 /nfs/dbraw/zinc/83/61/08/960836108.db2.gz MBCGKVAIQKRFGX-CYBMUJFWSA-N 1 2 240.310 2.212 20 30 BEEDLO N#Cc1c(N)sc(C[NH+]2CCC2)c1Cl ZINC001141109561 960866368 /nfs/dbraw/zinc/86/63/68/960866368.db2.gz UFPADOIUZMSXBZ-UHFFFAOYSA-N 1 2 227.720 2.061 20 30 BEEDLO CC(=O)[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167654 960900866 /nfs/dbraw/zinc/90/08/66/960900866.db2.gz UOSIZZZPZROEEC-NSHDSACASA-N 1 2 246.285 2.108 20 30 BEEDLO CC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167654 960900881 /nfs/dbraw/zinc/90/08/81/960900881.db2.gz UOSIZZZPZROEEC-NSHDSACASA-N 1 2 246.285 2.108 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142689294 961621861 /nfs/dbraw/zinc/62/18/61/961621861.db2.gz BQYAXTRCDBBADK-NSHDSACASA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142689294 961621874 /nfs/dbraw/zinc/62/18/74/961621874.db2.gz BQYAXTRCDBBADK-NSHDSACASA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@@H]1CCCN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143028022 961868703 /nfs/dbraw/zinc/86/87/03/961868703.db2.gz VFYZDJPRVPXLAT-LBPRGKRZSA-N 1 2 240.310 2.070 20 30 BEEDLO C[N@H+](Cc1c(F)ccc(C#N)c1F)C1CC1 ZINC001143164327 961898137 /nfs/dbraw/zinc/89/81/37/961898137.db2.gz DCLLJLGRLYNVIV-UHFFFAOYSA-N 1 2 222.238 2.431 20 30 BEEDLO C[N@@H+](Cc1c(F)ccc(C#N)c1F)C1CC1 ZINC001143164327 961898138 /nfs/dbraw/zinc/89/81/38/961898138.db2.gz DCLLJLGRLYNVIV-UHFFFAOYSA-N 1 2 222.238 2.431 20 30 BEEDLO O=C1C=C2C[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)CCC2S1 ZINC001167928066 962029293 /nfs/dbraw/zinc/02/92/93/962029293.db2.gz PCOVNGDYOWFPEP-RBLKWDMZSA-N 1 2 235.352 2.059 20 30 BEEDLO O=C1C=C2C[N@@H+]([C@@H]3C[C@H]4C[C@H]4C3)CCC2S1 ZINC001167928066 962029306 /nfs/dbraw/zinc/02/93/06/962029306.db2.gz PCOVNGDYOWFPEP-RBLKWDMZSA-N 1 2 235.352 2.059 20 30 BEEDLO O=C1C=C2C[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)CC[C@H]2S1 ZINC001167928066 962029334 /nfs/dbraw/zinc/02/93/34/962029334.db2.gz PCOVNGDYOWFPEP-RBLKWDMZSA-N 1 2 235.352 2.059 20 30 BEEDLO O=C1C=C2C[N@@H+]([C@@H]3C[C@H]4C[C@H]4C3)CC[C@H]2S1 ZINC001167928066 962029351 /nfs/dbraw/zinc/02/93/51/962029351.db2.gz PCOVNGDYOWFPEP-RBLKWDMZSA-N 1 2 235.352 2.059 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(F)cc(F)c1OC ZINC001143561559 962867640 /nfs/dbraw/zinc/86/76/40/962867640.db2.gz UQLDSKQBWDFFBG-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(F)cc(F)c1OC ZINC001143561559 962867643 /nfs/dbraw/zinc/86/76/43/962867643.db2.gz UQLDSKQBWDFFBG-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO C=C(C)CNc1nc(C)[nH+]c2c1CCC2 ZINC001155661047 963144046 /nfs/dbraw/zinc/14/40/46/963144046.db2.gz RJHCTSUMVDXARC-UHFFFAOYSA-N 1 2 203.289 2.262 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cncn1CC1CCC1 ZINC001255159976 1169824148 /nfs/dbraw/zinc/82/41/48/1169824148.db2.gz DESSSPFALYVNEL-CYBMUJFWSA-N 1 2 246.358 2.465 20 30 BEEDLO CCC1(CNc2[nH+]cc(C)cc2/C=N/O)COC1 ZINC001157546831 963655662 /nfs/dbraw/zinc/65/56/62/963655662.db2.gz SEWFSVRTFXFTLY-OMCISZLKSA-N 1 2 249.314 2.037 20 30 BEEDLO Cc1c[nH+]c(NCCCCC#N)c(/C=N/O)c1 ZINC001157641256 963688339 /nfs/dbraw/zinc/68/83/39/963688339.db2.gz SOMJBHSOKUDICB-CXUHLZMHSA-N 1 2 232.287 2.304 20 30 BEEDLO CCCC[N@H+](CC#N)[C@H]1CCO[C@H](C)C1 ZINC001168139633 963843055 /nfs/dbraw/zinc/84/30/55/963843055.db2.gz UXHZRFGXGYJETA-NEPJUHHUSA-N 1 2 210.321 2.180 20 30 BEEDLO CCCC[N@@H+](CC#N)[C@H]1CCO[C@H](C)C1 ZINC001168139633 963843058 /nfs/dbraw/zinc/84/30/58/963843058.db2.gz UXHZRFGXGYJETA-NEPJUHHUSA-N 1 2 210.321 2.180 20 30 BEEDLO N#Cc1ccc(F)c(NCCCn2cc[nH+]c2)c1 ZINC001161682180 964684256 /nfs/dbraw/zinc/68/42/56/964684256.db2.gz KXHRMNRPKVTLGC-UHFFFAOYSA-N 1 2 244.273 2.396 20 30 BEEDLO C[C@H]1C[C@H](Nc2cc(CC#N)cc[nH+]2)CCO1 ZINC001161695057 964691312 /nfs/dbraw/zinc/69/13/12/964691312.db2.gz ZXTMCMMHDQUUGR-CMPLNLGQSA-N 1 2 231.299 2.127 20 30 BEEDLO N#CC1(c2cc[nH+]c(NCC(F)F)c2)CC1 ZINC001161810757 964764736 /nfs/dbraw/zinc/76/47/36/964764736.db2.gz DINZIHLTROIDJZ-UHFFFAOYSA-N 1 2 223.226 2.314 20 30 BEEDLO CCc1coc(C[NH2+]C#C[Si](C)(C)C)n1 ZINC001162138512 964853652 /nfs/dbraw/zinc/85/36/52/964853652.db2.gz SASWOLFVZJALCX-UHFFFAOYSA-N 1 2 222.364 2.165 20 30 BEEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cscn1 ZINC001137596998 964904473 /nfs/dbraw/zinc/90/44/73/964904473.db2.gz MKPJOLANTYZBIE-WLLOZRIZSA-N 1 2 233.340 2.410 20 30 BEEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cscn1 ZINC001137596998 964904487 /nfs/dbraw/zinc/90/44/87/964904487.db2.gz MKPJOLANTYZBIE-WLLOZRIZSA-N 1 2 233.340 2.410 20 30 BEEDLO N#Cc1cc[nH]c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001233047823 965463372 /nfs/dbraw/zinc/46/33/72/965463372.db2.gz MNFDHKOQVLJWAT-UOJUARBOSA-N 1 2 240.310 2.153 20 30 BEEDLO N#Cc1cc[nH]c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001233047823 965463381 /nfs/dbraw/zinc/46/33/81/965463381.db2.gz MNFDHKOQVLJWAT-UOJUARBOSA-N 1 2 240.310 2.153 20 30 BEEDLO CC(=O)C=C(C)Nc1nc2[nH]c(C)cc2c[nH+]1 ZINC001163733130 965546637 /nfs/dbraw/zinc/54/66/37/965546637.db2.gz INDBJAJXSWRFLB-DAXSKMNVSA-N 1 2 230.271 2.123 20 30 BEEDLO COc1cc2[nH+]ccn2cc1NC(C)=CC(C)=O ZINC001163741891 965559739 /nfs/dbraw/zinc/55/97/39/965559739.db2.gz LXNIEOLANYUPDB-TWGQIWQCSA-N 1 2 245.282 2.248 20 30 BEEDLO N#Cc1ccc2cc[nH+]c(N3CC=CC3)c2c1 ZINC001163917219 965627402 /nfs/dbraw/zinc/62/74/02/965627402.db2.gz OBTGQNDSBBKTCQ-UHFFFAOYSA-N 1 2 221.263 2.483 20 30 BEEDLO CC1CC(N(C)c2cc(CC#N)cc[nH+]2)C1 ZINC001164199999 965788164 /nfs/dbraw/zinc/78/81/64/965788164.db2.gz UBYXVWCOTZLOHZ-UHFFFAOYSA-N 1 2 215.300 2.382 20 30 BEEDLO C#C[C@@H]1CCCN(c2[nH+]cc(C)cc2OC)C1 ZINC001167005250 966515338 /nfs/dbraw/zinc/51/53/38/966515338.db2.gz HMWCEMMJRLQKJS-GFCCVEGCSA-N 1 2 230.311 2.248 20 30 BEEDLO C#Cc1nccnc1Nc1ccc(C)[nH+]c1C ZINC001203367823 966620793 /nfs/dbraw/zinc/62/07/93/966620793.db2.gz PSOLZAKARPPERJ-UHFFFAOYSA-N 1 2 224.267 2.213 20 30 BEEDLO Cc1ccc(Nc2ncn(C)c2C#N)c(C)[nH+]1 ZINC001203370296 966621732 /nfs/dbraw/zinc/62/17/32/966621732.db2.gz ZETSPPJKZOTAJQ-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO CNc1ccc(Nc2cncc(C#N)c2)c[nH+]1 ZINC001203448904 966648466 /nfs/dbraw/zinc/64/84/66/966648466.db2.gz QAVZLRXXQZYQBH-UHFFFAOYSA-N 1 2 225.255 2.134 20 30 BEEDLO Cc1c[nH+]c(C)c(Nc2oncc2C#N)c1 ZINC001203656402 966723025 /nfs/dbraw/zinc/72/30/25/966723025.db2.gz QQZHFIKKGXCZJY-UHFFFAOYSA-N 1 2 214.228 2.302 20 30 BEEDLO Cc1c[nH+]c(C)c(Nc2cnn(C)c2C#N)c1 ZINC001203657164 966724153 /nfs/dbraw/zinc/72/41/53/966724153.db2.gz KHNDDCYQGWUYQD-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2)CCC1=O ZINC001203905340 966817826 /nfs/dbraw/zinc/81/78/26/966817826.db2.gz KXBZQRNVKZIHRZ-UHFFFAOYSA-N 1 2 242.322 2.359 20 30 BEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCC1=O ZINC001203905340 966817828 /nfs/dbraw/zinc/81/78/28/966817828.db2.gz KXBZQRNVKZIHRZ-UHFFFAOYSA-N 1 2 242.322 2.359 20 30 BEEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1O ZINC001204118805 966895444 /nfs/dbraw/zinc/89/54/44/966895444.db2.gz FDQHQSITEPQUMU-CQSZACIVSA-N 1 2 246.310 2.136 20 30 BEEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1O ZINC001204118805 966895448 /nfs/dbraw/zinc/89/54/48/966895448.db2.gz FDQHQSITEPQUMU-CQSZACIVSA-N 1 2 246.310 2.136 20 30 BEEDLO CNc1ccc(Nc2ccc(N)cc2C#N)c[nH+]1 ZINC001203460940 967004255 /nfs/dbraw/zinc/00/42/55/967004255.db2.gz ZNQYXTATECUNSF-UHFFFAOYSA-N 1 2 239.282 2.321 20 30 BEEDLO Cc1noc(Nc2ccn3cc[nH+]c3c2)c1C#N ZINC001204951578 967249363 /nfs/dbraw/zinc/24/93/63/967249363.db2.gz VWRLFKRVZBQWNV-UHFFFAOYSA-N 1 2 239.238 2.246 20 30 BEEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCC)C1CC1 ZINC001317545692 1169906985 /nfs/dbraw/zinc/90/69/85/1169906985.db2.gz VWWCZBXCKUHGJW-UHFFFAOYSA-N 1 2 244.766 2.120 20 30 BEEDLO C=C(Cl)C[N@H+](CCNC(=O)CCC)C1CC1 ZINC001317545692 1169906995 /nfs/dbraw/zinc/90/69/95/1169906995.db2.gz VWWCZBXCKUHGJW-UHFFFAOYSA-N 1 2 244.766 2.120 20 30 BEEDLO N#Cc1cc(F)ccc1CCn1cc[nH+]c1 ZINC001250319521 967692721 /nfs/dbraw/zinc/69/27/21/967692721.db2.gz SZQSKYNQWWDFHG-UHFFFAOYSA-N 1 2 215.231 2.137 20 30 BEEDLO C#Cc1cc(Nc2cccc(O)c2F)cc[nH+]1 ZINC001212545949 967860959 /nfs/dbraw/zinc/86/09/59/967860959.db2.gz XLTUPMAGSRPGHC-UHFFFAOYSA-N 1 2 228.226 2.073 20 30 BEEDLO C#Cc1cc(Nc2ccc(C)cc2O)cc[nH+]1 ZINC001206255293 968172753 /nfs/dbraw/zinc/17/27/53/968172753.db2.gz WHXCTJIQEWBSSM-UHFFFAOYSA-N 1 2 224.263 2.242 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ccncc1OC ZINC001206480267 968333644 /nfs/dbraw/zinc/33/36/44/968333644.db2.gz PXIFCMBIFOJCFB-UHFFFAOYSA-N 1 2 218.300 2.264 20 30 BEEDLO Cn1c[nH+]c2cc(Nc3ccnc(C#N)c3)ccc21 ZINC001206619008 968424064 /nfs/dbraw/zinc/42/40/64/968424064.db2.gz GQKSANQHHAQBIP-UHFFFAOYSA-N 1 2 249.277 2.005 20 30 BEEDLO C=C(C)c1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001240834173 968740966 /nfs/dbraw/zinc/74/09/66/968740966.db2.gz KCZVRPILRNQABQ-UHFFFAOYSA-N 1 2 214.272 2.312 20 30 BEEDLO C=CCC[C@@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001252593400 968850631 /nfs/dbraw/zinc/85/06/31/968850631.db2.gz HXZPCOHSRJMMGD-GFCCVEGCSA-N 1 2 231.299 2.073 20 30 BEEDLO C=C(C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001273381471 968897593 /nfs/dbraw/zinc/89/75/93/968897593.db2.gz KZDCVROWNMXNFS-UHFFFAOYSA-N 1 2 229.283 2.030 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168999769 969327596 /nfs/dbraw/zinc/32/75/96/969327596.db2.gz VMMLCFZCEXOFHT-GRYCIOLGSA-N 1 2 239.319 2.104 20 30 BEEDLO CC[N@@H+](CCC#N)CCOC(=O)c1ccccc1 ZINC001209044243 969335406 /nfs/dbraw/zinc/33/54/06/969335406.db2.gz DGWUPNZWTFLVJN-UHFFFAOYSA-N 1 2 246.310 2.079 20 30 BEEDLO CC[N@H+](CCC#N)CCOC(=O)c1ccccc1 ZINC001209044243 969335416 /nfs/dbraw/zinc/33/54/16/969335416.db2.gz DGWUPNZWTFLVJN-UHFFFAOYSA-N 1 2 246.310 2.079 20 30 BEEDLO C=CCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209157371 969362162 /nfs/dbraw/zinc/36/21/62/969362162.db2.gz ABJLHGUIHOUIQH-NSHDSACASA-N 1 2 223.341 2.227 20 30 BEEDLO C=CCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001209157371 969362166 /nfs/dbraw/zinc/36/21/66/969362166.db2.gz ABJLHGUIHOUIQH-NSHDSACASA-N 1 2 223.341 2.227 20 30 BEEDLO C=CCCCC[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209201747 969388525 /nfs/dbraw/zinc/38/85/25/969388525.db2.gz QHOXYJSDAGKETB-LLVKDONJSA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCCCC[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209201747 969388530 /nfs/dbraw/zinc/38/85/30/969388530.db2.gz QHOXYJSDAGKETB-LLVKDONJSA-N 1 2 233.302 2.435 20 30 BEEDLO N#C[C@@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC001209244144 969414213 /nfs/dbraw/zinc/41/42/13/969414213.db2.gz QHFBZJDSQULXFV-NSHDSACASA-N 1 2 236.265 2.353 20 30 BEEDLO N#C[C@@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC001209244144 969414218 /nfs/dbraw/zinc/41/42/18/969414218.db2.gz QHFBZJDSQULXFV-NSHDSACASA-N 1 2 236.265 2.353 20 30 BEEDLO N#Cc1ccc(Nc2cccc3[nH+]ccn32)cn1 ZINC001209462503 969516619 /nfs/dbraw/zinc/51/66/19/969516619.db2.gz SKNCNWBCZCBQBV-UHFFFAOYSA-N 1 2 235.250 2.345 20 30 BEEDLO Cc1noc(Nc2ccc3[nH]c[nH+]c3c2)c1C#N ZINC001209841034 969650421 /nfs/dbraw/zinc/65/04/21/969650421.db2.gz BKLLUSKKOUOUKC-UHFFFAOYSA-N 1 2 239.238 2.475 20 30 BEEDLO Cc1nc(C#N)c(Nc2ccc3[nH]c[nH+]c3c2)o1 ZINC001209844504 969656876 /nfs/dbraw/zinc/65/68/76/969656876.db2.gz ODRIGDUAYCWCBF-UHFFFAOYSA-N 1 2 239.238 2.475 20 30 BEEDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCC#N ZINC001254550382 969738711 /nfs/dbraw/zinc/73/87/11/969738711.db2.gz IQAHVZLWWVGDHJ-LLVKDONJSA-N 1 2 247.298 2.371 20 30 BEEDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCC#N ZINC001254550382 969738715 /nfs/dbraw/zinc/73/87/15/969738715.db2.gz IQAHVZLWWVGDHJ-LLVKDONJSA-N 1 2 247.298 2.371 20 30 BEEDLO Cc1cccc([C@@H](C)[NH+]2CC(O)(CC#N)C2)c1 ZINC001169626433 969790084 /nfs/dbraw/zinc/79/00/84/969790084.db2.gz CFTXEJBYEQXMQE-GFCCVEGCSA-N 1 2 230.311 2.016 20 30 BEEDLO CCOc1cc[nH+]cc1Nc1cncc(C#N)c1 ZINC001210083731 969792210 /nfs/dbraw/zinc/79/22/10/969792210.db2.gz ATGSSVPYAYVSLK-UHFFFAOYSA-N 1 2 240.266 2.491 20 30 BEEDLO CC#CCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254919820 969820397 /nfs/dbraw/zinc/82/03/97/969820397.db2.gz OCJYLCXOSLEXRQ-UHFFFAOYSA-N 1 2 230.267 2.324 20 30 BEEDLO CC#CCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254919820 969820398 /nfs/dbraw/zinc/82/03/98/969820398.db2.gz OCJYLCXOSLEXRQ-UHFFFAOYSA-N 1 2 230.267 2.324 20 30 BEEDLO CC(C)C[C@@H](C#N)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254925342 969824471 /nfs/dbraw/zinc/82/44/71/969824471.db2.gz ANPIREQUKRQECZ-LOWDOPEQSA-N 1 2 234.343 2.272 20 30 BEEDLO C#C[C@@](C)(CC)Nc1cc[nH+]c(OCCOC)c1 ZINC001169700874 969825463 /nfs/dbraw/zinc/82/54/63/969825463.db2.gz ZYTUXHPIKBUMRF-AWEZNQCLSA-N 1 2 248.326 2.321 20 30 BEEDLO C#Cc1cccnc1Nc1c[nH+]c(C)c(N)c1 ZINC001210285346 969852673 /nfs/dbraw/zinc/85/26/73/969852673.db2.gz PDBRCKMVHFFVNI-UHFFFAOYSA-N 1 2 224.267 2.092 20 30 BEEDLO C=C[C@@H](CO)Nc1ccc2c(cccc2OC)[nH+]1 ZINC001169780323 969853192 /nfs/dbraw/zinc/85/31/92/969853192.db2.gz SOTUJKIHURTIEB-JTQLQIEISA-N 1 2 244.294 2.202 20 30 BEEDLO C=C[C@@H](CO)Nc1cccc(-c2c[nH+]cn2C)c1 ZINC001169784147 969856719 /nfs/dbraw/zinc/85/67/19/969856719.db2.gz AGTODTUMRPHUPP-LBPRGKRZSA-N 1 2 243.310 2.046 20 30 BEEDLO C#Cc1ccc(Nc2c[nH+]c(C)c(N)c2)cn1 ZINC001210287882 969857642 /nfs/dbraw/zinc/85/76/42/969857642.db2.gz FJTYDCQNLMHFER-UHFFFAOYSA-N 1 2 224.267 2.092 20 30 BEEDLO Cc1c[nH+]c(NC2=CC(=O)C[C@@H](C)C2)c(N)c1 ZINC001210766893 970017231 /nfs/dbraw/zinc/01/72/31/970017231.db2.gz RLYTXVVOJZETDF-QMMMGPOBSA-N 1 2 231.299 2.267 20 30 BEEDLO C[C@H]1CC(=O)C=C(Nc2cn(CCF)c[nH+]2)C1 ZINC001210771755 970025252 /nfs/dbraw/zinc/02/52/52/970025252.db2.gz RFZBOXAPYVFTPA-SECBINFHSA-N 1 2 237.278 2.147 20 30 BEEDLO C#Cc1cc(Nc2cc(F)c(N)c(F)c2)cc[nH+]1 ZINC001210905057 970065104 /nfs/dbraw/zinc/06/51/04/970065104.db2.gz JGDACGQSFOOOQV-UHFFFAOYSA-N 1 2 245.232 2.089 20 30 BEEDLO CCCC[C@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001255309344 970078419 /nfs/dbraw/zinc/07/84/19/970078419.db2.gz DTRDYFWRKIDZIB-UWVGGRQHSA-N 1 2 233.377 2.016 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)CCC)CC1 ZINC001112682170 970148677 /nfs/dbraw/zinc/14/86/77/970148677.db2.gz HISLIKLEORNHBG-ZDUSSCGKSA-N 1 2 238.375 2.143 20 30 BEEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CC=C)CC1 ZINC001112880609 970204483 /nfs/dbraw/zinc/20/44/83/970204483.db2.gz LBILUUFEPNSIMK-UHFFFAOYSA-N 1 2 248.370 2.085 20 30 BEEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CC[C@@H](C)C1)C(=O)OCC ZINC001170110343 970315647 /nfs/dbraw/zinc/31/56/47/970315647.db2.gz XGRMMDYFWDTGGB-HKUMRIAESA-N 1 2 237.343 2.272 20 30 BEEDLO Cc1c[nH+]cc(Nc2cncc(C#N)n2)c1C ZINC001213525418 970346006 /nfs/dbraw/zinc/34/60/06/970346006.db2.gz VLHNVXZOCSSNLB-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO C=CCCCNc1nc(NC2CC2)c(OC)c[nH+]1 ZINC001170295085 970666007 /nfs/dbraw/zinc/66/60/07/970666007.db2.gz SPHLLNFGZYUYAS-UHFFFAOYSA-N 1 2 248.330 2.438 20 30 BEEDLO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(=O)CC1 ZINC001171203535 972902379 /nfs/dbraw/zinc/90/23/79/972902379.db2.gz NUTNWIHBHZAAHZ-GFCCVEGCSA-N 1 2 242.322 2.154 20 30 BEEDLO N#C[C@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172230341 974470406 /nfs/dbraw/zinc/47/04/06/974470406.db2.gz VAIFNNMTOGYEIP-ODWCKFRGSA-N 1 2 220.316 2.074 20 30 BEEDLO N#C[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172230341 974470408 /nfs/dbraw/zinc/47/04/08/974470408.db2.gz VAIFNNMTOGYEIP-ODWCKFRGSA-N 1 2 220.316 2.074 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172232353 974473296 /nfs/dbraw/zinc/47/32/96/974473296.db2.gz GHPCBIRHOGOHOH-WVMKXHBISA-N 1 2 220.316 2.000 20 30 BEEDLO C[C@@H]1CC[C@H]([NH2+]C2(C#N)CCOCC2)C[C@@H]1C ZINC001172369396 974652727 /nfs/dbraw/zinc/65/27/27/974652727.db2.gz LWVUDKCDWMEQJP-AGIUHOORSA-N 1 2 236.359 2.473 20 30 BEEDLO C[C@H](CCCC#N)[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001172493655 974841897 /nfs/dbraw/zinc/84/18/97/974841897.db2.gz NIYBXJJLGWBMDJ-MNOVXSKESA-N 1 2 246.301 2.161 20 30 BEEDLO C[C@H](CCCC#N)[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001172493655 974841902 /nfs/dbraw/zinc/84/19/02/974841902.db2.gz NIYBXJJLGWBMDJ-MNOVXSKESA-N 1 2 246.301 2.161 20 30 BEEDLO CCCCCOC(=O)C[NH2+][C@H](C)CCCC#N ZINC001172493163 974842338 /nfs/dbraw/zinc/84/23/38/974842338.db2.gz XWBWEGZDZYNYGJ-GFCCVEGCSA-N 1 2 240.347 2.392 20 30 BEEDLO C[C@H](CCCC#N)[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001172494766 974844303 /nfs/dbraw/zinc/84/43/03/974844303.db2.gz XXDBWTFEOCLKOV-MNOVXSKESA-N 1 2 226.295 2.072 20 30 BEEDLO C[C@H](CCCC#N)[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001172494766 974844307 /nfs/dbraw/zinc/84/43/07/974844307.db2.gz XXDBWTFEOCLKOV-MNOVXSKESA-N 1 2 226.295 2.072 20 30 BEEDLO CO[C@@H]1CCC[C@@H]([NH2+][C@](C)(C#N)C(C)C)C1 ZINC001172923974 974970247 /nfs/dbraw/zinc/97/02/47/974970247.db2.gz OSYQMTCNZUZDSP-JHJVBQTASA-N 1 2 224.348 2.472 20 30 BEEDLO COc1ccc(C#N)c(OC2C[NH+](C(C)C)C2)c1 ZINC001226791334 975085845 /nfs/dbraw/zinc/08/58/45/975085845.db2.gz MMUGTQOAUKVTLX-UHFFFAOYSA-N 1 2 246.310 2.038 20 30 BEEDLO C#CC[N@@H+](Cc1c(C)noc1CC)C1CC1 ZINC001332871159 975301535 /nfs/dbraw/zinc/30/15/35/975301535.db2.gz YPFGLIVOSQYHSL-UHFFFAOYSA-N 1 2 218.300 2.143 20 30 BEEDLO C#CC[N@H+](Cc1c(C)noc1CC)C1CC1 ZINC001332871159 975301540 /nfs/dbraw/zinc/30/15/40/975301540.db2.gz YPFGLIVOSQYHSL-UHFFFAOYSA-N 1 2 218.300 2.143 20 30 BEEDLO Cc1cc[nH+]c(C)c1OC1CC(C#N)C1 ZINC001227265696 975341930 /nfs/dbraw/zinc/34/19/30/975341930.db2.gz WHGWVJGOEBZARB-UHFFFAOYSA-N 1 2 202.257 2.379 20 30 BEEDLO C=CC[C@@H]([NH2+][C@@H]1CCC12CCC2)C(=O)OCC ZINC001330640109 975809998 /nfs/dbraw/zinc/80/99/98/975809998.db2.gz XWDZTZUOZROFAR-VXGBXAGGSA-N 1 2 237.343 2.417 20 30 BEEDLO CC[NH+]1CC(Oc2cc(C)c(C#N)cc2C)C1 ZINC001228144229 975941507 /nfs/dbraw/zinc/94/15/07/975941507.db2.gz OZKBHSWFSMNHLS-UHFFFAOYSA-N 1 2 230.311 2.258 20 30 BEEDLO C#Cc1cc(Nc2cccc3n[nH]cc32)cc[nH+]1 ZINC001174342079 976566397 /nfs/dbraw/zinc/56/63/97/976566397.db2.gz DPRXDKWODJCVBR-UHFFFAOYSA-N 1 2 234.262 2.105 20 30 BEEDLO O=C1C=C[C@H](Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001229953932 977039374 /nfs/dbraw/zinc/03/93/74/977039374.db2.gz GCMOMLXUVZLAQS-AWEZNQCLSA-N 1 2 240.262 2.149 20 30 BEEDLO Nc1ccccc1C(NO)=[NH+]c1cccc(O)c1 ZINC001174895503 977154596 /nfs/dbraw/zinc/15/45/96/977154596.db2.gz ZWTAELINEUVLMM-UHFFFAOYSA-N 1 2 243.266 2.032 20 30 BEEDLO C#C[C@@H](Oc1cc2c(cc1O)C=[NH+]CC2)C(C)C ZINC001230922053 977383453 /nfs/dbraw/zinc/38/34/53/977383453.db2.gz YNBQJPKBEZLUFA-CQSZACIVSA-N 1 2 243.306 2.404 20 30 BEEDLO C[C@@H](CS)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230922047 977383806 /nfs/dbraw/zinc/38/38/06/977383806.db2.gz YJMIGFGNJIBLKD-QMMMGPOBSA-N 1 2 237.324 2.064 20 30 BEEDLO C#Cc1cc(Nc2cccc3cnn(C)c32)cc[nH+]1 ZINC001175440597 977429216 /nfs/dbraw/zinc/42/92/16/977429216.db2.gz MRLHLNSWXMCTKC-UHFFFAOYSA-N 1 2 248.289 2.115 20 30 BEEDLO C#Cc1cc(Nc2ccc3nccnc3c2)cc[nH+]1 ZINC001175487353 977442467 /nfs/dbraw/zinc/44/24/67/977442467.db2.gz XLDYGRUVJHBOER-UHFFFAOYSA-N 1 2 246.273 2.172 20 30 BEEDLO C#C[C@@H](C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082693 977474241 /nfs/dbraw/zinc/47/42/41/977474241.db2.gz XPEOVVKHIYSGMV-SNVBAGLBSA-N 1 2 212.252 2.477 20 30 BEEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001231617103 977646208 /nfs/dbraw/zinc/64/62/08/977646208.db2.gz WBYOLZZPYJVESJ-MFKMUULPSA-N 1 2 248.301 2.499 20 30 BEEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](F)C[C@H]1C ZINC001231617103 977646223 /nfs/dbraw/zinc/64/62/23/977646223.db2.gz WBYOLZZPYJVESJ-MFKMUULPSA-N 1 2 248.301 2.499 20 30 BEEDLO C#Cc1cccc(C[N@@H+]2CCC(=O)[C@H](C)C2)c1 ZINC001231658465 977671097 /nfs/dbraw/zinc/67/10/97/977671097.db2.gz XEJTWBFRLUXNNU-GFCCVEGCSA-N 1 2 227.307 2.079 20 30 BEEDLO C#Cc1cccc(C[N@H+]2CCC(=O)[C@H](C)C2)c1 ZINC001231658465 977671108 /nfs/dbraw/zinc/67/11/08/977671108.db2.gz XEJTWBFRLUXNNU-GFCCVEGCSA-N 1 2 227.307 2.079 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(Cl)c(O)c1 ZINC001231734857 977718539 /nfs/dbraw/zinc/71/85/39/977718539.db2.gz GVLOEXJIKMULOZ-UHFFFAOYSA-N 1 2 233.698 2.114 20 30 BEEDLO C=CCN1CC[NH+](Cc2cc(C)nc(C)c2)CC1 ZINC001232000240 977831707 /nfs/dbraw/zinc/83/17/07/977831707.db2.gz GVZSGMKWEGCTBF-UHFFFAOYSA-N 1 2 245.370 2.002 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc(C)n1 ZINC001232004091 977833390 /nfs/dbraw/zinc/83/33/90/977833390.db2.gz KCYVDWIZQNBNCI-AWEZNQCLSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cc(C)n1 ZINC001232004091 977833394 /nfs/dbraw/zinc/83/33/94/977833394.db2.gz KCYVDWIZQNBNCI-AWEZNQCLSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@@H](C#N)C2)cc(C)n1 ZINC001232001177 977835425 /nfs/dbraw/zinc/83/54/25/977835425.db2.gz MRBHJUGYJGOFNQ-LBPRGKRZSA-N 1 2 215.300 2.044 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@@H](C#N)C2)cc(C)n1 ZINC001232001177 977835426 /nfs/dbraw/zinc/83/54/26/977835426.db2.gz MRBHJUGYJGOFNQ-LBPRGKRZSA-N 1 2 215.300 2.044 20 30 BEEDLO C#Cc1cccc(Nc2[nH+]cccc2CCO)c1 ZINC001175973912 977844386 /nfs/dbraw/zinc/84/43/86/977844386.db2.gz KYHBBJYYYQJRKQ-UHFFFAOYSA-N 1 2 238.290 2.341 20 30 BEEDLO CC#CC[N@@H+]1CCC[C@H]1c1nc(C)c(C)[nH]1 ZINC001176076219 977870387 /nfs/dbraw/zinc/87/03/87/977870387.db2.gz CQTKUGICOSARJH-LBPRGKRZSA-N 1 2 217.316 2.187 20 30 BEEDLO CC#CC[N@H+]1CCC[C@H]1c1nc(C)c(C)[nH]1 ZINC001176076219 977870388 /nfs/dbraw/zinc/87/03/88/977870388.db2.gz CQTKUGICOSARJH-LBPRGKRZSA-N 1 2 217.316 2.187 20 30 BEEDLO C=CCC[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001336759037 977924339 /nfs/dbraw/zinc/92/43/39/977924339.db2.gz KMJOSZSFUCLANW-LBPRGKRZSA-N 1 2 247.342 2.218 20 30 BEEDLO COc1cc[nH+]cc1Nc1cccnc1C#N ZINC001176117193 977945366 /nfs/dbraw/zinc/94/53/66/977945366.db2.gz VFWCWHLBXINMGG-UHFFFAOYSA-N 1 2 226.239 2.100 20 30 BEEDLO COc1cc[nH+]cc1Nc1ccc(O)cc1C#N ZINC001176124468 977958034 /nfs/dbraw/zinc/95/80/34/977958034.db2.gz OPSZJCXKKNFJAH-UHFFFAOYSA-N 1 2 241.250 2.411 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C(C)(C)CC)C1 ZINC001277651755 978027438 /nfs/dbraw/zinc/02/74/38/978027438.db2.gz IQYMPGOBQLAKEN-UHFFFAOYSA-N 1 2 238.375 2.141 20 30 BEEDLO C=CCn1cc(Nc2cc(OC)cc[nH+]2)cn1 ZINC001176541724 978118365 /nfs/dbraw/zinc/11/83/65/978118365.db2.gz BEUSWSDQZCIABB-UHFFFAOYSA-N 1 2 230.271 2.216 20 30 BEEDLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232474643 978124486 /nfs/dbraw/zinc/12/44/86/978124486.db2.gz HHPFAXMJGVUDLI-GWCFXTLKSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001232474643 978124491 /nfs/dbraw/zinc/12/44/91/978124491.db2.gz HHPFAXMJGVUDLI-GWCFXTLKSA-N 1 2 233.290 2.133 20 30 BEEDLO CC1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232673163 978231953 /nfs/dbraw/zinc/23/19/53/978231953.db2.gz BAOHIHHXYOQMSA-UHFFFAOYSA-N 1 2 230.311 2.496 20 30 BEEDLO C[C@]1(CF)CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674394 978244332 /nfs/dbraw/zinc/24/43/32/978244332.db2.gz YRKJAPICNRICMR-CQSZACIVSA-N 1 2 248.301 2.445 20 30 BEEDLO C[C@]1(CF)CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674394 978244350 /nfs/dbraw/zinc/24/43/50/978244350.db2.gz YRKJAPICNRICMR-CQSZACIVSA-N 1 2 248.301 2.445 20 30 BEEDLO COCC[N@H+](Cc1cc(C#N)ccc1O)C(C)C ZINC001232679948 978253060 /nfs/dbraw/zinc/25/30/60/978253060.db2.gz VUHRRZJZCMVTAR-UHFFFAOYSA-N 1 2 248.326 2.121 20 30 BEEDLO COCC[N@@H+](Cc1cc(C#N)ccc1O)C(C)C ZINC001232679948 978253083 /nfs/dbraw/zinc/25/30/83/978253083.db2.gz VUHRRZJZCMVTAR-UHFFFAOYSA-N 1 2 248.326 2.121 20 30 BEEDLO Cc1cc(C#N)ccc1C[NH+]1CC(OC(C)C)C1 ZINC001233083192 978464868 /nfs/dbraw/zinc/46/48/68/978464868.db2.gz ABXCSRSACAEBLK-UHFFFAOYSA-N 1 2 244.338 2.476 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ccc(N(C)C)nc1F ZINC001233118263 978469662 /nfs/dbraw/zinc/46/96/62/978469662.db2.gz WWQZNGCPNFMPGJ-UHFFFAOYSA-N 1 2 249.333 2.461 20 30 BEEDLO C=CCN1CC[NH+](Cc2cnc(C)c(C)c2)CC1 ZINC001233164153 978483965 /nfs/dbraw/zinc/48/39/65/978483965.db2.gz SEBRJDJDBIYVHK-UHFFFAOYSA-N 1 2 245.370 2.002 20 30 BEEDLO C=C1CC=C(F)C=C1NC(=O)CCc1[nH]cc[nH+]1 ZINC001178000190 978486918 /nfs/dbraw/zinc/48/69/18/978486918.db2.gz BBCVPVYAIXNIHI-UHFFFAOYSA-N 1 2 247.273 2.156 20 30 BEEDLO C#CC[N@@H+](C)Cc1cn2cccc(Cl)c2n1 ZINC001233423018 978598686 /nfs/dbraw/zinc/59/86/86/978598686.db2.gz FBNMYJUBHCOELO-UHFFFAOYSA-N 1 2 233.702 2.053 20 30 BEEDLO C#CC[N@H+](C)Cc1cn2cccc(Cl)c2n1 ZINC001233423018 978598690 /nfs/dbraw/zinc/59/86/90/978598690.db2.gz FBNMYJUBHCOELO-UHFFFAOYSA-N 1 2 233.702 2.053 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccc(C(F)F)nc1 ZINC001179479538 978709292 /nfs/dbraw/zinc/70/92/92/978709292.db2.gz OSORBCDIAHKDCW-MRVPVSSYSA-N 1 2 225.242 2.411 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cc2cnccc2o1 ZINC001179479690 978709305 /nfs/dbraw/zinc/70/93/05/978709305.db2.gz QKPFOZOOFUQTRK-SECBINFHSA-N 1 2 215.256 2.220 20 30 BEEDLO C#C[C@H](C)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234585812 978865456 /nfs/dbraw/zinc/86/54/56/978865456.db2.gz QOTYSYFTMWRJAU-JTQLQIEISA-N 1 2 217.268 2.449 20 30 BEEDLO CCCOC1C[NH+](Cc2ccccc2CC#N)C1 ZINC001235523768 979067688 /nfs/dbraw/zinc/06/76/88/979067688.db2.gz UPHQVDHHKYSFPO-UHFFFAOYSA-N 1 2 244.338 2.363 20 30 BEEDLO N#CCc1ccccc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001235530111 979068514 /nfs/dbraw/zinc/06/85/14/979068514.db2.gz QMJVBDODRKOORQ-GFCCVEGCSA-N 1 2 225.295 2.098 20 30 BEEDLO N#CCc1ccccc1C[N@H+]1CC[C@H](C#N)C1 ZINC001235530111 979068529 /nfs/dbraw/zinc/06/85/29/979068529.db2.gz QMJVBDODRKOORQ-GFCCVEGCSA-N 1 2 225.295 2.098 20 30 BEEDLO CC1=CC[C@@H](CC[N@@H+]2CCN[C@H](C#N)C2)C1(C)C ZINC001235914380 979202608 /nfs/dbraw/zinc/20/26/08/979202608.db2.gz UIJZNAYRIRYWIN-UONOGXRCSA-N 1 2 247.386 2.166 20 30 BEEDLO CC1=CC[C@@H](CC[N@H+]2CCN[C@H](C#N)C2)C1(C)C ZINC001235914380 979202616 /nfs/dbraw/zinc/20/26/16/979202616.db2.gz UIJZNAYRIRYWIN-UONOGXRCSA-N 1 2 247.386 2.166 20 30 BEEDLO N#CCCc1ccc(Cn2cc[nH+]c2)cc1 ZINC001250057456 979537642 /nfs/dbraw/zinc/53/76/42/979537642.db2.gz OAIYHRBRPGHAFK-UHFFFAOYSA-N 1 2 211.268 2.388 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(F)c(F)c1C ZINC001237167848 979823163 /nfs/dbraw/zinc/82/31/63/979823163.db2.gz SOYFJYXFBCBTKF-UHFFFAOYSA-N 1 2 233.261 2.342 20 30 BEEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H](F)C2)ccn1 ZINC001237459337 979904580 /nfs/dbraw/zinc/90/45/80/979904580.db2.gz NSLMPRBKGXKQLZ-GFCCVEGCSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H](F)C2)ccn1 ZINC001237459337 979904586 /nfs/dbraw/zinc/90/45/86/979904586.db2.gz NSLMPRBKGXKQLZ-GFCCVEGCSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@@H]1CC[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525739 979931701 /nfs/dbraw/zinc/93/17/01/979931701.db2.gz UNHGFHGSCMOJBS-MRVPVSSYSA-N 1 2 222.238 2.431 20 30 BEEDLO C[C@@H]1CC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525739 979931708 /nfs/dbraw/zinc/93/17/08/979931708.db2.gz UNHGFHGSCMOJBS-MRVPVSSYSA-N 1 2 222.238 2.431 20 30 BEEDLO CCc1[nH]ncc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237659417 980025131 /nfs/dbraw/zinc/02/51/31/980025131.db2.gz OMFNJXJDIHWIGU-UOJUARBOSA-N 1 2 244.342 2.239 20 30 BEEDLO CCc1[nH]ncc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237659417 980025139 /nfs/dbraw/zinc/02/51/39/980025139.db2.gz OMFNJXJDIHWIGU-UOJUARBOSA-N 1 2 244.342 2.239 20 30 BEEDLO CC(=O)C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001237745795 980041145 /nfs/dbraw/zinc/04/11/45/980041145.db2.gz IPIDXVFFSVJAPU-UHFFFAOYSA-N 1 2 236.702 2.232 20 30 BEEDLO CC(=O)C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001237745795 980041155 /nfs/dbraw/zinc/04/11/55/980041155.db2.gz IPIDXVFFSVJAPU-UHFFFAOYSA-N 1 2 236.702 2.232 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(F)cc(OCC)c1 ZINC001237924736 980115418 /nfs/dbraw/zinc/11/54/18/980115418.db2.gz VMDGYGHPTVTICH-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO Cc1cc(F)cc(C[N@@H+]2CC[C@H](C#N)C2)c1O ZINC001238066094 980137005 /nfs/dbraw/zinc/13/70/05/980137005.db2.gz FBHCWZYOLWGRPY-SNVBAGLBSA-N 1 2 234.274 2.185 20 30 BEEDLO Cc1cc(F)cc(C[N@H+]2CC[C@H](C#N)C2)c1O ZINC001238066094 980137011 /nfs/dbraw/zinc/13/70/11/980137011.db2.gz FBHCWZYOLWGRPY-SNVBAGLBSA-N 1 2 234.274 2.185 20 30 BEEDLO N#Cc1cc(C[NH+]2CCC2)ccc1Cl ZINC001238197312 980221647 /nfs/dbraw/zinc/22/16/47/980221647.db2.gz UMTJJEZGMHVOOH-UHFFFAOYSA-N 1 2 206.676 2.417 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(Cl)c(C#N)c1 ZINC001238199407 980223624 /nfs/dbraw/zinc/22/36/24/980223624.db2.gz SQUZJSIZIFEUMG-UHFFFAOYSA-N 1 2 242.709 2.280 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cnc(C2CC2)c(C)c1 ZINC001238625623 980300695 /nfs/dbraw/zinc/30/06/95/980300695.db2.gz RNTORQJZDCNRQR-UHFFFAOYSA-N 1 2 238.334 2.336 20 30 BEEDLO CCc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)ccc1C#N ZINC001238777773 980322496 /nfs/dbraw/zinc/32/24/96/980322496.db2.gz ICZPDLGMOQFCOH-GASCZTMLSA-N 1 2 242.322 2.094 20 30 BEEDLO CCc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)ccc1C#N ZINC001238777773 980322509 /nfs/dbraw/zinc/32/25/09/980322509.db2.gz ICZPDLGMOQFCOH-GASCZTMLSA-N 1 2 242.322 2.094 20 30 BEEDLO C#CCCCCC(=O)OCc1c[nH+]cn1CC ZINC001345610209 980646870 /nfs/dbraw/zinc/64/68/70/980646870.db2.gz SXCQNIKLUZDJON-UHFFFAOYSA-N 1 2 234.299 2.140 20 30 BEEDLO N#Cc1cccc(CCn2cc[nH+]c2)c1F ZINC001250320950 980761092 /nfs/dbraw/zinc/76/10/92/980761092.db2.gz UAEFGHNXASDDBN-UHFFFAOYSA-N 1 2 215.231 2.137 20 30 BEEDLO C=C(C)CNC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190099353 980845801 /nfs/dbraw/zinc/84/58/01/980845801.db2.gz GDQDAFVRBWSVIA-UHFFFAOYSA-N 1 2 241.294 2.178 20 30 BEEDLO N#Cc1ncc(-c2ccc3[nH+]ccn3c2)cc1F ZINC001240217914 981166184 /nfs/dbraw/zinc/16/61/84/981166184.db2.gz QOBWZIOUKLQQHL-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO C=C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC001347991002 981237398 /nfs/dbraw/zinc/23/73/98/981237398.db2.gz WYLOCGROOFAQDU-UHFFFAOYSA-N 1 2 244.342 2.233 20 30 BEEDLO C=C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC001347991002 981237399 /nfs/dbraw/zinc/23/73/99/981237399.db2.gz WYLOCGROOFAQDU-UHFFFAOYSA-N 1 2 244.342 2.233 20 30 BEEDLO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1noc(C)n1 ZINC001193238285 981278336 /nfs/dbraw/zinc/27/83/36/981278336.db2.gz IJNYFVXYFPLDDD-AXFHLTTASA-N 1 2 234.303 2.111 20 30 BEEDLO N#Cc1cccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240497307 981418919 /nfs/dbraw/zinc/41/89/19/981418919.db2.gz VZADQQLCGAYXDH-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO C=CC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)C(=O)OCC ZINC001349623404 981599177 /nfs/dbraw/zinc/59/91/77/981599177.db2.gz CNIVDHAXSKMUHQ-GUBZILKMSA-N 1 2 247.285 2.128 20 30 BEEDLO COc1c(C#N)c(F)ccc1-c1cc[nH+]c(N)c1 ZINC001241175675 982324851 /nfs/dbraw/zinc/32/48/51/982324851.db2.gz JPCLJERDPYVMRO-UHFFFAOYSA-N 1 2 243.241 2.350 20 30 BEEDLO C=C(CC(C)C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001351635312 982343990 /nfs/dbraw/zinc/34/39/90/982343990.db2.gz HDYVWWRMPACYKG-UHFFFAOYSA-N 1 2 235.331 2.245 20 30 BEEDLO COc1cc(C#N)ccc1-c1cc[nH+]c(N)c1 ZINC001241404627 982555862 /nfs/dbraw/zinc/55/58/62/982555862.db2.gz RCOHJFBCWBJHSQ-UHFFFAOYSA-N 1 2 225.251 2.211 20 30 BEEDLO C#CC1(O)C[NH+](CCCCCCCC)C1 ZINC001198449885 982722673 /nfs/dbraw/zinc/72/26/73/982722673.db2.gz KHZKFDKUSYBZOE-UHFFFAOYSA-N 1 2 209.333 2.027 20 30 BEEDLO C=C(C)CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001353554088 982889703 /nfs/dbraw/zinc/88/97/03/982889703.db2.gz NEWMIYJCGJJTDW-UHFFFAOYSA-N 1 2 247.342 2.472 20 30 BEEDLO C=C1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC001354109273 983159194 /nfs/dbraw/zinc/15/91/94/983159194.db2.gz MXFCRENUZXUBRP-UHFFFAOYSA-N 1 2 240.310 2.368 20 30 BEEDLO COc1ccc(C#N)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201285544 983161120 /nfs/dbraw/zinc/16/11/20/983161120.db2.gz KPMLDALADIZCEJ-UHFFFAOYSA-N 1 2 240.266 2.288 20 30 BEEDLO COc1ccc(Nc2ccc(N)[nH+]c2)cc1C#N ZINC001201287109 983167187 /nfs/dbraw/zinc/16/71/87/983167187.db2.gz UAIOXYZKQSMOKR-UHFFFAOYSA-N 1 2 240.266 2.288 20 30 BEEDLO N#Cc1cc(Nc2ccc(N)[nH+]c2)c(O)cc1F ZINC001201291990 983168570 /nfs/dbraw/zinc/16/85/70/983168570.db2.gz RYRLFVZIPNCSLH-UHFFFAOYSA-N 1 2 244.229 2.124 20 30 BEEDLO C=CC[N@@H+](C)Cc1c(Cl)n[nH]c1CC ZINC001355283275 983461736 /nfs/dbraw/zinc/46/17/36/983461736.db2.gz IDNGVNKMYJEAED-UHFFFAOYSA-N 1 2 213.712 2.243 20 30 BEEDLO C=C[C@@](C)(O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001252539624 983805096 /nfs/dbraw/zinc/80/50/96/983805096.db2.gz WGCROIHNCAAQCC-CQSZACIVSA-N 1 2 243.310 2.221 20 30 BEEDLO N#CCC1C[NH+](Cc2ccc(N3CCCC3)o2)C1 ZINC001137061177 983892953 /nfs/dbraw/zinc/89/29/53/983892953.db2.gz OXWQUDYTVLZMAT-UHFFFAOYSA-N 1 2 245.326 2.225 20 30 BEEDLO C[C@@H]1CC(=O)C=C(c2ccn3cc(N)[nH+]c3c2)C1 ZINC001242740487 984089396 /nfs/dbraw/zinc/08/93/96/984089396.db2.gz ZTSKHHKBEJZZFP-VIFPVBQESA-N 1 2 241.294 2.299 20 30 BEEDLO CC#CC(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001443309109 984517086 /nfs/dbraw/zinc/51/70/86/984517086.db2.gz GIEOKXRNINUBIP-UHFFFAOYSA-N 1 2 239.278 2.143 20 30 BEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)CCCC ZINC001275505743 984585590 /nfs/dbraw/zinc/58/55/90/984585590.db2.gz JHGYWTNANFUJGB-LLVKDONJSA-N 1 2 246.782 2.366 20 30 BEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)CCCC ZINC001275505743 984585603 /nfs/dbraw/zinc/58/56/03/984585603.db2.gz JHGYWTNANFUJGB-LLVKDONJSA-N 1 2 246.782 2.366 20 30 BEEDLO N#CCc1ccc(-c2ccc[nH+]c2N)cc1C#N ZINC001243473653 985023710 /nfs/dbraw/zinc/02/37/10/985023710.db2.gz DSCODWVQLHDXHQ-UHFFFAOYSA-N 1 2 234.262 2.269 20 30 BEEDLO Nc1[nH+]cccc1-c1ccccc1C=NO ZINC001243476297 985028798 /nfs/dbraw/zinc/02/87/98/985028798.db2.gz AHNUOLSXRRGXBK-UHFFFAOYSA-N 1 2 213.240 2.139 20 30 BEEDLO C#CC[N@@H+](Cc1csc(NCC)n1)CC1CC1 ZINC001459775358 985612314 /nfs/dbraw/zinc/61/23/14/985612314.db2.gz LMHRBYRCVZHHDI-UHFFFAOYSA-N 1 2 249.383 2.420 20 30 BEEDLO C#CC[N@H+](Cc1csc(NCC)n1)CC1CC1 ZINC001459775358 985612331 /nfs/dbraw/zinc/61/23/31/985612331.db2.gz LMHRBYRCVZHHDI-UHFFFAOYSA-N 1 2 249.383 2.420 20 30 BEEDLO Cc1nn(C(C)C)c(C)c1C[NH2+][C@@H](C)CC#N ZINC001461724021 986124932 /nfs/dbraw/zinc/12/49/32/986124932.db2.gz IYTOZSCGJJQHMU-JTQLQIEISA-N 1 2 234.347 2.473 20 30 BEEDLO C=C[C@@H](O)CNc1ccc2ccc[nH+]c2c1 ZINC001253589698 986190819 /nfs/dbraw/zinc/19/08/19/986190819.db2.gz PGBGGBWSHKDUPA-GFCCVEGCSA-N 1 2 214.268 2.194 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cn(C2CC2)cn1 ZINC001462007873 986258728 /nfs/dbraw/zinc/25/87/28/986258728.db2.gz QCGXOGRSCYOGSV-UHFFFAOYSA-N 1 2 217.316 2.392 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(CO)cs1 ZINC001462160093 986298589 /nfs/dbraw/zinc/29/85/89/986298589.db2.gz AONLFNZOHBPJPN-LLVKDONJSA-N 1 2 238.356 2.176 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(CO)cs1 ZINC001462160093 986298599 /nfs/dbraw/zinc/29/85/99/986298599.db2.gz AONLFNZOHBPJPN-LLVKDONJSA-N 1 2 238.356 2.176 20 30 BEEDLO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](C#N)C2)[nH]1 ZINC001137329515 986786090 /nfs/dbraw/zinc/78/60/90/986786090.db2.gz CWCOAQZVIGAXJK-LBPRGKRZSA-N 1 2 217.316 2.367 20 30 BEEDLO Cc1cc(C)c(C[N@H+]2CCC[C@@H](C#N)C2)[nH]1 ZINC001137329515 986786106 /nfs/dbraw/zinc/78/61/06/986786106.db2.gz CWCOAQZVIGAXJK-LBPRGKRZSA-N 1 2 217.316 2.367 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H]1COc2c1cccc2OC ZINC001255163033 986838494 /nfs/dbraw/zinc/83/84/94/986838494.db2.gz BDQCOKCOMOFRPL-PWSUYJOCSA-N 1 2 246.310 2.411 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H](CO)c1ccccc1OC ZINC001255163202 986838956 /nfs/dbraw/zinc/83/89/56/986838956.db2.gz CYXXDRWQOWFZBW-WCQYABFASA-N 1 2 248.326 2.010 20 30 BEEDLO CC[C@@H](CC#N)[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001255176259 986871074 /nfs/dbraw/zinc/87/10/74/986871074.db2.gz YUIBDEASRRDARS-UWVGGRQHSA-N 1 2 228.336 2.208 20 30 BEEDLO Cc1cc(-c2ncc(C#N)cc2C)c[nH+]c1N ZINC001245537019 986916017 /nfs/dbraw/zinc/91/60/17/986916017.db2.gz VVBKIYVBTUIREA-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO Cc1cc(-c2cncc(CC#N)c2)c[nH+]c1N ZINC001245539162 986923781 /nfs/dbraw/zinc/92/37/81/986923781.db2.gz SCCRHBAJOTUFNP-UHFFFAOYSA-N 1 2 224.267 2.100 20 30 BEEDLO Cc1cc(-c2ccnc(C)c2C#N)c[nH+]c1N ZINC001245541089 986931388 /nfs/dbraw/zinc/93/13/88/986931388.db2.gz KSXMPFUHAUFFBC-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO C=CCC1(C(=O)NCc2c[nH+]c(CC)[nH]2)CCC1 ZINC001472020146 987161698 /nfs/dbraw/zinc/16/16/98/987161698.db2.gz DCAAUUCJZAIHSC-UHFFFAOYSA-N 1 2 247.342 2.335 20 30 BEEDLO C=CCC1(C(=O)NCc2c[nH]c(CC)[nH+]2)CCC1 ZINC001472020146 987161705 /nfs/dbraw/zinc/16/17/05/987161705.db2.gz DCAAUUCJZAIHSC-UHFFFAOYSA-N 1 2 247.342 2.335 20 30 BEEDLO CC[C@](C)(C#N)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001472094556 987174837 /nfs/dbraw/zinc/17/48/37/987174837.db2.gz BJPOTPZFXPCNFJ-CYBMUJFWSA-N 1 2 248.330 2.089 20 30 BEEDLO CC[C@](C)(C#N)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001472094556 987174872 /nfs/dbraw/zinc/17/48/72/987174872.db2.gz BJPOTPZFXPCNFJ-CYBMUJFWSA-N 1 2 248.330 2.089 20 30 BEEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1F ZINC001116440340 987572752 /nfs/dbraw/zinc/57/27/52/987572752.db2.gz QREKPKLGRUVJIZ-SNVBAGLBSA-N 1 2 236.290 2.426 20 30 BEEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1F ZINC001116440340 987572764 /nfs/dbraw/zinc/57/27/64/987572764.db2.gz QREKPKLGRUVJIZ-SNVBAGLBSA-N 1 2 236.290 2.426 20 30 BEEDLO C=CC[NH+]1CC(NC(=O)CCCCC(C)C)C1 ZINC001494465801 988149406 /nfs/dbraw/zinc/14/94/06/988149406.db2.gz AHURLCQANRTQQR-UHFFFAOYSA-N 1 2 238.375 2.189 20 30 BEEDLO CCCC[C@H](CCC)N1CC[NH2+]C[C@@H]1C#N ZINC001246594057 988184577 /nfs/dbraw/zinc/18/45/77/988184577.db2.gz ORPCFFLCLMHADL-STQMWFEESA-N 1 2 223.364 2.143 20 30 BEEDLO CC(C)(C)C1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001246596734 988196799 /nfs/dbraw/zinc/19/67/99/988196799.db2.gz YCAGLHBIFSXIBH-JXQTWKCFSA-N 1 2 249.402 2.389 20 30 BEEDLO C#CCN(CC1CC1)c1cc(C)[nH+]c(CC)n1 ZINC001323163328 988462906 /nfs/dbraw/zinc/46/29/06/988462906.db2.gz XJWDFEZOSXNMCK-UHFFFAOYSA-N 1 2 229.327 2.197 20 30 BEEDLO C=CCC1(NC(=O)[C@@H](C)n2cc[nH+]c2)CCCC1 ZINC001118790648 988596343 /nfs/dbraw/zinc/59/63/43/988596343.db2.gz HXJJCIBEPMNJFK-GFCCVEGCSA-N 1 2 247.342 2.449 20 30 BEEDLO Cc1[nH]c(CNc2ncc(C#N)cc2F)[nH+]c1C ZINC001515991296 989131737 /nfs/dbraw/zinc/13/17/37/989131737.db2.gz WHUYNPJFWVYBRD-UHFFFAOYSA-N 1 2 245.261 2.044 20 30 BEEDLO CCc1cc(C#N)ccc1C[NH+]1CC(C)(OC)C1 ZINC001248748379 989140055 /nfs/dbraw/zinc/14/00/55/989140055.db2.gz HOWZCSZDIGKXHV-UHFFFAOYSA-N 1 2 244.338 2.341 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001248752250 989143954 /nfs/dbraw/zinc/14/39/54/989143954.db2.gz DOOVPYNEIRMVGA-CABCVRRESA-N 1 2 242.322 2.094 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001248752250 989143957 /nfs/dbraw/zinc/14/39/57/989143957.db2.gz DOOVPYNEIRMVGA-CABCVRRESA-N 1 2 242.322 2.094 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(C(C)(C)C)c[nH]1 ZINC001249480519 989292642 /nfs/dbraw/zinc/29/26/42/989292642.db2.gz WOEOGEBXUSUMHO-UHFFFAOYSA-N 1 2 228.339 2.381 20 30 BEEDLO C=CCOCCCC(=O)Nc1c(C)c[nH+]cc1C ZINC001518383272 989301310 /nfs/dbraw/zinc/30/13/10/989301310.db2.gz DCFBEDVOSWUCLX-UHFFFAOYSA-N 1 2 248.326 2.042 20 30 BEEDLO Cc1cc(C)c(C(=O)N(C)[C@H](C)CC#N)c(C)[nH+]1 ZINC001518823800 989343965 /nfs/dbraw/zinc/34/39/65/989343965.db2.gz BPZXLTVBABUIMY-LLVKDONJSA-N 1 2 245.326 2.381 20 30 BEEDLO C=C(CC)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001521518890 989722300 /nfs/dbraw/zinc/72/23/00/989722300.db2.gz NJKXBJNZUFHAHV-LBPRGKRZSA-N 1 2 247.342 2.092 20 30 BEEDLO C#CCCCCC(=O)Nc1c(C)c[nH+]cc1C ZINC001121140026 990022978 /nfs/dbraw/zinc/02/29/78/990022978.db2.gz OOAXITSPRPRVAH-UHFFFAOYSA-N 1 2 230.311 2.252 20 30 BEEDLO C=C(C)CCC(=O)OCCCc1c[nH+]cn1C ZINC001525848493 990081060 /nfs/dbraw/zinc/08/10/60/990081060.db2.gz YUBDAAUXPTUWKZ-UHFFFAOYSA-N 1 2 236.315 2.252 20 30 BEEDLO C[C@H](CC(=O)O[C@H]1CC[C@@H](C#N)C1)n1cc[nH+]c1 ZINC001122732142 990440292 /nfs/dbraw/zinc/44/02/92/990440292.db2.gz RVRCDBDHXVRGAH-UTUOFQBUSA-N 1 2 247.298 2.070 20 30 BEEDLO C=C[C@H](CC)CC(=O)OCc1c[nH+]cn1C ZINC001122757717 990443674 /nfs/dbraw/zinc/44/36/74/990443674.db2.gz RZMBWRRLEPGHMM-SNVBAGLBSA-N 1 2 222.288 2.066 20 30 BEEDLO C=CC(C)(C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001149102590 990811898 /nfs/dbraw/zinc/81/18/98/990811898.db2.gz YPVSAPDFMWCAQO-UHFFFAOYSA-N 1 2 247.342 2.328 20 30 BEEDLO C=CC(C)(C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001149102590 990811900 /nfs/dbraw/zinc/81/19/00/990811900.db2.gz YPVSAPDFMWCAQO-UHFFFAOYSA-N 1 2 247.342 2.328 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc(OC(C)=O)c1 ZINC001138043034 990877510 /nfs/dbraw/zinc/87/75/10/990877510.db2.gz LUCDAGGTBWTZMV-UHFFFAOYSA-N 1 2 246.310 2.347 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc(OC(C)=O)c1 ZINC001138043034 990877512 /nfs/dbraw/zinc/87/75/12/990877512.db2.gz LUCDAGGTBWTZMV-UHFFFAOYSA-N 1 2 246.310 2.347 20 30 BEEDLO C=CCCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001558561801 990967032 /nfs/dbraw/zinc/96/70/32/990967032.db2.gz VQBVKJMONQXUJN-UHFFFAOYSA-N 1 2 221.304 2.116 20 30 BEEDLO C=CCCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001558561801 990967040 /nfs/dbraw/zinc/96/70/40/990967040.db2.gz VQBVKJMONQXUJN-UHFFFAOYSA-N 1 2 221.304 2.116 20 30 BEEDLO COC(=O)[C@H](CS)[NH2+][C@H](C)CCC=C(C)C ZINC001258076031 990974694 /nfs/dbraw/zinc/97/46/94/990974694.db2.gz JIVZRUPWLGENFV-MNOVXSKESA-N 1 2 245.388 2.182 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnc2[nH]ccc2c1 ZINC001138739320 991030379 /nfs/dbraw/zinc/03/03/79/991030379.db2.gz OJYZTULIZWZEDE-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnc2[nH]ccc2c1 ZINC001138739320 991030389 /nfs/dbraw/zinc/03/03/89/991030389.db2.gz OJYZTULIZWZEDE-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO C#CC[N@@H+](C)Cc1cnc2[nH]ccc2c1Cl ZINC001138935898 991103067 /nfs/dbraw/zinc/10/30/67/991103067.db2.gz MDYTUQNXUCTVQI-UHFFFAOYSA-N 1 2 233.702 2.233 20 30 BEEDLO C#CC[N@H+](C)Cc1cnc2[nH]ccc2c1Cl ZINC001138935898 991103071 /nfs/dbraw/zinc/10/30/71/991103071.db2.gz MDYTUQNXUCTVQI-UHFFFAOYSA-N 1 2 233.702 2.233 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc2nsnc2c1 ZINC001139213424 991195707 /nfs/dbraw/zinc/19/57/07/991195707.db2.gz YIWGNALHFGBUTF-UHFFFAOYSA-N 1 2 246.339 2.427 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc2nsnc2c1 ZINC001139213424 991195718 /nfs/dbraw/zinc/19/57/18/991195718.db2.gz YIWGNALHFGBUTF-UHFFFAOYSA-N 1 2 246.339 2.427 20 30 BEEDLO N#Cc1cc(F)cc(NCc2ccc[nH+]c2N)c1 ZINC001308900714 991212167 /nfs/dbraw/zinc/21/21/67/991212167.db2.gz GUSVHOQVKYHUDW-UHFFFAOYSA-N 1 2 242.257 2.287 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1F ZINC001139526910 991262102 /nfs/dbraw/zinc/26/21/02/991262102.db2.gz OAMIWOPBHOPJNO-OBJOEFQTSA-N 1 2 248.276 2.487 20 30 BEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1F ZINC001139526910 991262106 /nfs/dbraw/zinc/26/21/06/991262106.db2.gz OAMIWOPBHOPJNO-OBJOEFQTSA-N 1 2 248.276 2.487 20 30 BEEDLO C#CC[N@@H+](C)Cc1c[nH]c(-c2ccccc2)n1 ZINC001139555432 991266877 /nfs/dbraw/zinc/26/68/77/991266877.db2.gz WZMTXLNAOCOXLR-UHFFFAOYSA-N 1 2 225.295 2.142 20 30 BEEDLO C#CC[N@H+](C)Cc1c[nH]c(-c2ccccc2)n1 ZINC001139555432 991266884 /nfs/dbraw/zinc/26/68/84/991266884.db2.gz WZMTXLNAOCOXLR-UHFFFAOYSA-N 1 2 225.295 2.142 20 30 BEEDLO CO[C@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)C[C@@H]1F ZINC001139722799 991342875 /nfs/dbraw/zinc/34/28/75/991342875.db2.gz GQIWSLFRIHRQSB-KBPBESRZSA-N 1 2 248.301 2.035 20 30 BEEDLO CO[C@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)C[C@@H]1F ZINC001139722799 991342884 /nfs/dbraw/zinc/34/28/84/991342884.db2.gz GQIWSLFRIHRQSB-KBPBESRZSA-N 1 2 248.301 2.035 20 30 BEEDLO CCCCC[C@H](CC)[NH2+][C@@H](CS)C(=O)OC ZINC001258427543 991356268 /nfs/dbraw/zinc/35/62/68/991356268.db2.gz FXPLEUXEJHMORQ-QWRGUYRKSA-N 1 2 247.404 2.406 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cc(F)cc(C#N)c2)C[C@@H]1F ZINC001139873598 991407478 /nfs/dbraw/zinc/40/74/78/991407478.db2.gz XSXBBCPYDASWMH-RNCFNFMXSA-N 1 2 236.265 2.487 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)cc(C#N)c2)C[C@@H]1F ZINC001139873598 991407481 /nfs/dbraw/zinc/40/74/81/991407481.db2.gz XSXBBCPYDASWMH-RNCFNFMXSA-N 1 2 236.265 2.487 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(C)n1 ZINC001560657445 991541293 /nfs/dbraw/zinc/54/12/93/991541293.db2.gz MTAAVWVWLZKPEO-GFCCVEGCSA-N 1 2 217.316 2.432 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@H](C)CC#N)cc(C)n1 ZINC001560657445 991541302 /nfs/dbraw/zinc/54/13/02/991541302.db2.gz MTAAVWVWLZKPEO-GFCCVEGCSA-N 1 2 217.316 2.432 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001560694305 991559430 /nfs/dbraw/zinc/55/94/30/991559430.db2.gz YYSPXJNENXBCBM-QMMMGPOBSA-N 1 2 240.253 2.262 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001560694305 991559439 /nfs/dbraw/zinc/55/94/39/991559439.db2.gz YYSPXJNENXBCBM-QMMMGPOBSA-N 1 2 240.253 2.262 20 30 BEEDLO C=C[C@@H](COC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001320426431 992197583 /nfs/dbraw/zinc/19/75/83/992197583.db2.gz LCYATXBLFPHVJW-NSHDSACASA-N 1 2 247.342 2.277 20 30 BEEDLO C=C1CC(C)(c2noc([C@@H](C)n3cc[nH+]c3)n2)C1 ZINC001262115917 992685866 /nfs/dbraw/zinc/68/58/66/992685866.db2.gz QNELCXMEQZRZTR-SNVBAGLBSA-N 1 2 244.298 2.483 20 30 BEEDLO C=CC(C)(C)C(=O)OCCCc1c[nH+]cn1C ZINC001263510539 993353717 /nfs/dbraw/zinc/35/37/17/993353717.db2.gz GSNLIMPIJHKQLN-UHFFFAOYSA-N 1 2 236.315 2.108 20 30 BEEDLO N#CCC1(O)C[NH+]([C@H]2CCCc3ccccc32)C1 ZINC001307709594 995441320 /nfs/dbraw/zinc/44/13/20/995441320.db2.gz FWIGBQBZQGAADN-AWEZNQCLSA-N 1 2 242.322 2.024 20 30 BEEDLO Cc1cccnc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC001308152606 995573983 /nfs/dbraw/zinc/57/39/83/995573983.db2.gz FXKXLDBZZAMMEU-LLVKDONJSA-N 1 2 215.300 2.344 20 30 BEEDLO N#Cc1cc(Nc2ccc(N)[nH+]c2)ccc1F ZINC000051636109 1171907363 /nfs/dbraw/zinc/90/73/63/1171907363.db2.gz VALFGUXDEQXHEI-UHFFFAOYSA-N 1 2 228.230 2.418 20 30 BEEDLO Cc1nc([C@H](C)[NH2+]CC2(C#N)CC2)cs1 ZINC000308827765 136208230 /nfs/dbraw/zinc/20/82/30/136208230.db2.gz AOXULTGHLHJEDZ-QMMMGPOBSA-N 1 2 221.329 2.406 20 30 BEEDLO C=C(Br)C[N@H+]1CCSC[C@H]1C ZINC000172436412 192025098 /nfs/dbraw/zinc/02/50/98/192025098.db2.gz JXHMHACARHCWNW-MRVPVSSYSA-N 1 2 236.178 2.332 20 30 BEEDLO C=C(Br)C[N@@H+]1CCSC[C@H]1C ZINC000172436412 192025099 /nfs/dbraw/zinc/02/50/99/192025099.db2.gz JXHMHACARHCWNW-MRVPVSSYSA-N 1 2 236.178 2.332 20 30 BEEDLO CCOc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1O ZINC000297941009 398148152 /nfs/dbraw/zinc/14/81/52/398148152.db2.gz VDRNVDJNOGUWFB-NSHDSACASA-N 1 2 248.326 2.382 20 30 BEEDLO CCOc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1O ZINC000297941009 398148155 /nfs/dbraw/zinc/14/81/55/398148155.db2.gz VDRNVDJNOGUWFB-NSHDSACASA-N 1 2 248.326 2.382 20 30 BEEDLO Cc1[nH]ncc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000358607489 178025156 /nfs/dbraw/zinc/02/51/56/178025156.db2.gz DRJREJSDYAUBAC-UHFFFAOYSA-N 1 2 240.310 2.188 20 30 BEEDLO Cc1cc(N2CCC(C#N)CC2)nc(C2CC2)[nH+]1 ZINC000116260397 178112827 /nfs/dbraw/zinc/11/28/27/178112827.db2.gz FYOKNGCWRMOVIM-UHFFFAOYSA-N 1 2 242.326 2.402 20 30 BEEDLO COc1cc(Cl)ccc1C[NH2+]CCC#N ZINC000576339701 365568961 /nfs/dbraw/zinc/56/89/61/365568961.db2.gz GDVJRRGLEMHXGL-UHFFFAOYSA-N 1 2 224.691 2.352 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)NCc1c[nH+]ccc1OC ZINC000293346730 136229384 /nfs/dbraw/zinc/22/93/84/136229384.db2.gz LLUMWSWCMPLTIB-LLVKDONJSA-N 1 2 248.326 2.309 20 30 BEEDLO CC[N@@H+](Cc1cccc(F)c1N)C[C@H](C)C#N ZINC000602448514 349549664 /nfs/dbraw/zinc/54/96/64/349549664.db2.gz VSHOMVWCHCDWJY-SNVBAGLBSA-N 1 2 235.306 2.389 20 30 BEEDLO CC[N@H+](Cc1cccc(F)c1N)C[C@H](C)C#N ZINC000602448514 349549665 /nfs/dbraw/zinc/54/96/65/349549665.db2.gz VSHOMVWCHCDWJY-SNVBAGLBSA-N 1 2 235.306 2.389 20 30 BEEDLO COCC[N@H+](CC(F)F)C[C@H](C)CCC#N ZINC000602457720 349554495 /nfs/dbraw/zinc/55/44/95/349554495.db2.gz JRESCSGKLRIRPI-SNVBAGLBSA-N 1 2 234.290 2.140 20 30 BEEDLO COCC[N@@H+](CC(F)F)C[C@H](C)CCC#N ZINC000602457720 349554499 /nfs/dbraw/zinc/55/44/99/349554499.db2.gz JRESCSGKLRIRPI-SNVBAGLBSA-N 1 2 234.290 2.140 20 30 BEEDLO CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@@H](C#N)C1 ZINC000600117239 342673970 /nfs/dbraw/zinc/67/39/70/342673970.db2.gz IRHZLGXQUVWJSW-RDBSUJKOSA-N 1 2 236.359 2.427 20 30 BEEDLO CC[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@@H](C#N)C1 ZINC000600117239 342673971 /nfs/dbraw/zinc/67/39/71/342673971.db2.gz IRHZLGXQUVWJSW-RDBSUJKOSA-N 1 2 236.359 2.427 20 30 BEEDLO Cc1[nH]c(CN(C[C@@H](C)C#N)C2CC2)[nH+]c1C ZINC000600121512 342679113 /nfs/dbraw/zinc/67/91/13/342679113.db2.gz VNQLCNLRNDLVAJ-VIFPVBQESA-N 1 2 232.331 2.151 20 30 BEEDLO CCN(Cc1[nH]c(C)c(C)[nH+]1)C[C@H](C)C#N ZINC000600113375 342671599 /nfs/dbraw/zinc/67/15/99/342671599.db2.gz RWBFZQDFJFGULM-SECBINFHSA-N 1 2 220.320 2.008 20 30 BEEDLO Cc1[nH]c(CN2CCC[C@@](C)(C#N)C2)[nH+]c1C ZINC000600144859 342689716 /nfs/dbraw/zinc/68/97/16/342689716.db2.gz OXENQHGZELORLQ-ZDUSSCGKSA-N 1 2 232.331 2.152 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000600145455 342690038 /nfs/dbraw/zinc/69/00/38/342690038.db2.gz QYAAGUQLKRTTHI-UHFFFAOYSA-N 1 2 219.288 2.191 20 30 BEEDLO C[C@@]1(C[N@@H+]2CC[C@@](F)(C#N)C2)CCCS1 ZINC000600150191 342691341 /nfs/dbraw/zinc/69/13/41/342691341.db2.gz AYXRQYPZQRFKDJ-WDEREUQCSA-N 1 2 228.336 2.210 20 30 BEEDLO C[C@@]1(C[N@H+]2CC[C@@](F)(C#N)C2)CCCS1 ZINC000600150191 342691343 /nfs/dbraw/zinc/69/13/43/342691343.db2.gz AYXRQYPZQRFKDJ-WDEREUQCSA-N 1 2 228.336 2.210 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cc2n(n1)CCC2 ZINC000649486179 398283346 /nfs/dbraw/zinc/28/33/46/398283346.db2.gz AKHLNVKZESFYCL-UHFFFAOYSA-N 1 2 217.316 2.003 20 30 BEEDLO C=CC[C@H]1CC[C@]2(C1)[NH2+]C(C)(C)C(=O)N2CC ZINC000649490323 398287975 /nfs/dbraw/zinc/28/79/75/398287975.db2.gz AGPQVPPGCWMWLM-FZMZJTMJSA-N 1 2 236.359 2.289 20 30 BEEDLO CCC#C[C@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000380146998 538986412 /nfs/dbraw/zinc/98/64/12/538986412.db2.gz WXVWJIVDKGWSHY-IUCAKERBSA-N 1 2 223.345 2.299 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(C(F)F)nc1 ZINC000602606774 349628825 /nfs/dbraw/zinc/62/88/25/349628825.db2.gz DBDQGLSESBCFPV-QMMMGPOBSA-N 1 2 225.242 2.268 20 30 BEEDLO CCc1nc([C@@H](C)[NH2+]CC#CCOC)cs1 ZINC000390574203 539026509 /nfs/dbraw/zinc/02/65/09/539026509.db2.gz VRYKPCKHVZVBMF-SNVBAGLBSA-N 1 2 238.356 2.006 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1nc2ccccc2o1 ZINC000602608219 349631908 /nfs/dbraw/zinc/63/19/08/349631908.db2.gz RGKZWLHARBWDGP-VIFPVBQESA-N 1 2 215.256 2.077 20 30 BEEDLO Cc1n[nH]cc1C[N@H+](CCC#N)CC(C)(C)C ZINC000093101298 398308215 /nfs/dbraw/zinc/30/82/15/398308215.db2.gz FEFDJYVSPWUJSY-UHFFFAOYSA-N 1 2 234.347 2.480 20 30 BEEDLO Cc1n[nH]cc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000093101298 398308216 /nfs/dbraw/zinc/30/82/16/398308216.db2.gz FEFDJYVSPWUJSY-UHFFFAOYSA-N 1 2 234.347 2.480 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000602611427 349634646 /nfs/dbraw/zinc/63/46/46/349634646.db2.gz LIGHYPGZHCVHDA-NSHDSACASA-N 1 2 246.358 2.081 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000602642754 349655137 /nfs/dbraw/zinc/65/51/37/349655137.db2.gz MCXHXUXSHJUEEE-UHFFFAOYSA-N 1 2 244.342 2.077 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H](OC)[C@@H](C)CC ZINC000602670528 349666051 /nfs/dbraw/zinc/66/60/51/349666051.db2.gz FOAFSANVIKDMIH-QWHCGFSZSA-N 1 2 224.348 2.449 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H](OC)[C@@H](C)CC ZINC000602670528 349666052 /nfs/dbraw/zinc/66/60/52/349666052.db2.gz FOAFSANVIKDMIH-QWHCGFSZSA-N 1 2 224.348 2.449 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H](CCC)OC ZINC000602672948 349666658 /nfs/dbraw/zinc/66/66/58/349666658.db2.gz SSDBULSPZRUFMG-GFCCVEGCSA-N 1 2 210.321 2.203 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H](CCC)OC ZINC000602672948 349666661 /nfs/dbraw/zinc/66/66/61/349666661.db2.gz SSDBULSPZRUFMG-GFCCVEGCSA-N 1 2 210.321 2.203 20 30 BEEDLO C[C@@H](CCC#N)CNc1cc2cc[nH]c2c[nH+]1 ZINC000602706464 349700241 /nfs/dbraw/zinc/70/02/41/349700241.db2.gz PZZHLQWCXCNWMN-JTQLQIEISA-N 1 2 228.299 2.337 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(F)c2N)C1 ZINC000602717515 349708106 /nfs/dbraw/zinc/70/81/06/349708106.db2.gz GWBBINXCLHUCMO-CYBMUJFWSA-N 1 2 233.290 2.143 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000602717515 349708110 /nfs/dbraw/zinc/70/81/10/349708110.db2.gz GWBBINXCLHUCMO-CYBMUJFWSA-N 1 2 233.290 2.143 20 30 BEEDLO N#CCC1(C[N@H+]2CCC[C@H]2C(F)F)CC1 ZINC000602798648 349739986 /nfs/dbraw/zinc/73/99/86/349739986.db2.gz MOJVSNLVWORNIB-VIFPVBQESA-N 1 2 214.259 2.410 20 30 BEEDLO N#CCC1(C[N@@H+]2CCC[C@H]2C(F)F)CC1 ZINC000602798648 349739989 /nfs/dbraw/zinc/73/99/89/349739989.db2.gz MOJVSNLVWORNIB-VIFPVBQESA-N 1 2 214.259 2.410 20 30 BEEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602799011 349740124 /nfs/dbraw/zinc/74/01/24/349740124.db2.gz ACQQGINJVVXBJP-SECBINFHSA-N 1 2 238.287 2.030 20 30 BEEDLO C=C(C)C[N@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602799011 349740126 /nfs/dbraw/zinc/74/01/26/349740126.db2.gz ACQQGINJVVXBJP-SECBINFHSA-N 1 2 238.287 2.030 20 30 BEEDLO Cc1cc(C)c(CN(C)CCC#N)c(C)[nH+]1 ZINC000602779708 349745826 /nfs/dbraw/zinc/74/58/26/349745826.db2.gz NGTSCGSYKPFAGI-UHFFFAOYSA-N 1 2 217.316 2.352 20 30 BEEDLO Cc1cc(C)c(C[N@H+](C)CCC#N)c(C)n1 ZINC000602779708 349745828 /nfs/dbraw/zinc/74/58/28/349745828.db2.gz NGTSCGSYKPFAGI-UHFFFAOYSA-N 1 2 217.316 2.352 20 30 BEEDLO Cc1cc(C)c(C[N@@H+](C)CCC#N)c(C)n1 ZINC000602779708 349745830 /nfs/dbraw/zinc/74/58/30/349745830.db2.gz NGTSCGSYKPFAGI-UHFFFAOYSA-N 1 2 217.316 2.352 20 30 BEEDLO CCN(CC#N)Cc1c(C)cc(C)[nH+]c1C ZINC000602773295 349727005 /nfs/dbraw/zinc/72/70/05/349727005.db2.gz ZVBZKTOGOWOFST-UHFFFAOYSA-N 1 2 217.316 2.352 20 30 BEEDLO C=CC[N@@H+](C)Cc1c(OC)cccc1C(=O)OC ZINC000602809626 349753396 /nfs/dbraw/zinc/75/33/96/349753396.db2.gz ATHBKPDMDZHIFK-UHFFFAOYSA-N 1 2 249.310 2.100 20 30 BEEDLO C=CC[N@H+](C)Cc1c(OC)cccc1C(=O)OC ZINC000602809626 349753397 /nfs/dbraw/zinc/75/33/97/349753397.db2.gz ATHBKPDMDZHIFK-UHFFFAOYSA-N 1 2 249.310 2.100 20 30 BEEDLO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N ZINC000602861582 349772708 /nfs/dbraw/zinc/77/27/08/349772708.db2.gz GDTGXNMWIGJRDC-RYUDHWBXSA-N 1 2 245.326 2.214 20 30 BEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000602861763 349773529 /nfs/dbraw/zinc/77/35/29/349773529.db2.gz ISEZXIZEXZCDLN-UWVGGRQHSA-N 1 2 249.289 2.044 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000602859841 349770681 /nfs/dbraw/zinc/77/06/81/349770681.db2.gz AYKQVOPJQKKXDY-SNVBAGLBSA-N 1 2 241.294 2.332 20 30 BEEDLO C=CCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000171433059 187227634 /nfs/dbraw/zinc/22/76/34/187227634.db2.gz LKFIEGZJFFZDPC-UHFFFAOYSA-N 1 2 219.288 2.052 20 30 BEEDLO COc1ccc(F)c(C[NH2+]CC(C)(C)C#N)c1 ZINC000352884707 136265193 /nfs/dbraw/zinc/26/51/93/136265193.db2.gz MTLBYSLZZSXCDR-UHFFFAOYSA-N 1 2 236.290 2.474 20 30 BEEDLO Cc1ccc(CCCN(CC#N)C2CC2)c[nH+]1 ZINC000353452469 136265642 /nfs/dbraw/zinc/26/56/42/136265642.db2.gz ZRIDVOUTXHSBEE-UHFFFAOYSA-N 1 2 229.327 2.311 20 30 BEEDLO CCCc1nc(C)c(C[NH2+][C@@H](C)CC#N)o1 ZINC000309906518 343091216 /nfs/dbraw/zinc/09/12/16/343091216.db2.gz KNJCQEYXYUGLCD-VIFPVBQESA-N 1 2 221.304 2.327 20 30 BEEDLO Cc1ccc(C[N@@H+](C)C[C@H](C)C#N)c(C)n1 ZINC000360063679 136268108 /nfs/dbraw/zinc/26/81/08/136268108.db2.gz MYHYAUCCPBSZDY-SNVBAGLBSA-N 1 2 217.316 2.290 20 30 BEEDLO Cc1ccc(C[N@H+](C)C[C@H](C)C#N)c(C)n1 ZINC000360063679 136268109 /nfs/dbraw/zinc/26/81/09/136268109.db2.gz MYHYAUCCPBSZDY-SNVBAGLBSA-N 1 2 217.316 2.290 20 30 BEEDLO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602864456 349796012 /nfs/dbraw/zinc/79/60/12/349796012.db2.gz RJTCZCJTWBFKIR-RYUDHWBXSA-N 1 2 245.326 2.214 20 30 BEEDLO CC(C)(C#N)CC[N@@H+]1Cc2cccnc2C1 ZINC000576867843 365708484 /nfs/dbraw/zinc/70/84/84/365708484.db2.gz IIIJSUPJJVLUFI-UHFFFAOYSA-N 1 2 215.300 2.337 20 30 BEEDLO CC(C)(C#N)CC[N@H+]1Cc2cccnc2C1 ZINC000576867843 365708489 /nfs/dbraw/zinc/70/84/89/365708489.db2.gz IIIJSUPJJVLUFI-UHFFFAOYSA-N 1 2 215.300 2.337 20 30 BEEDLO C#CCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000270661625 187236956 /nfs/dbraw/zinc/23/69/56/187236956.db2.gz VYHGEKXWFWEPTK-GFCCVEGCSA-N 1 2 221.325 2.145 20 30 BEEDLO C#CCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000270661625 187236957 /nfs/dbraw/zinc/23/69/57/187236957.db2.gz VYHGEKXWFWEPTK-GFCCVEGCSA-N 1 2 221.325 2.145 20 30 BEEDLO COc1cccc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000042375296 136272956 /nfs/dbraw/zinc/27/29/56/136272956.db2.gz KFZBKNCJLWUJHX-LLVKDONJSA-N 1 2 218.300 2.429 20 30 BEEDLO COc1cccc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000042375296 136272957 /nfs/dbraw/zinc/27/29/57/136272957.db2.gz KFZBKNCJLWUJHX-LLVKDONJSA-N 1 2 218.300 2.429 20 30 BEEDLO CC(C)Oc1ccnc(C[NH2+][C@@H](C)CC#N)c1 ZINC000602868509 349799793 /nfs/dbraw/zinc/79/97/93/349799793.db2.gz BXLPMVKWARVDGG-NSHDSACASA-N 1 2 233.315 2.261 20 30 BEEDLO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC#N ZINC000177544828 346931754 /nfs/dbraw/zinc/93/17/54/346931754.db2.gz HRPCVPIOJUTDLF-WCQYABFASA-N 1 2 200.285 2.388 20 30 BEEDLO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC#N ZINC000177544828 346931756 /nfs/dbraw/zinc/93/17/56/346931756.db2.gz HRPCVPIOJUTDLF-WCQYABFASA-N 1 2 200.285 2.388 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C#N)cc1F ZINC000273813795 136284581 /nfs/dbraw/zinc/28/45/81/136284581.db2.gz BLIVEHYISHGBAC-LBPRGKRZSA-N 1 2 231.274 2.479 20 30 BEEDLO CC#CC[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000293336402 136289475 /nfs/dbraw/zinc/28/94/75/136289475.db2.gz YJZDQNJBJGCXIF-UHFFFAOYSA-N 1 2 220.316 2.427 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000293336402 136289476 /nfs/dbraw/zinc/28/94/76/136289476.db2.gz YJZDQNJBJGCXIF-UHFFFAOYSA-N 1 2 220.316 2.427 20 30 BEEDLO C[C@@H](CCC#N)N1CC[NH+](Cc2ccco2)CC1 ZINC000297882314 136291275 /nfs/dbraw/zinc/29/12/75/136291275.db2.gz NLSFHBSQVNBHBO-ZDUSSCGKSA-N 1 2 247.342 2.089 20 30 BEEDLO C=CC[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000052187565 343320899 /nfs/dbraw/zinc/32/08/99/343320899.db2.gz KNSVELQNISIZET-UHFFFAOYSA-N 1 2 227.311 2.490 20 30 BEEDLO C=CC[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000052187565 343320901 /nfs/dbraw/zinc/32/09/01/343320901.db2.gz KNSVELQNISIZET-UHFFFAOYSA-N 1 2 227.311 2.490 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@H+](C)CCC#N ZINC000165422995 343311443 /nfs/dbraw/zinc/31/14/43/343311443.db2.gz MFKCMLBKJWMRGL-UHFFFAOYSA-N 1 2 213.284 2.212 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@@H+](C)CCC#N ZINC000165422995 343311446 /nfs/dbraw/zinc/31/14/46/343311446.db2.gz MFKCMLBKJWMRGL-UHFFFAOYSA-N 1 2 213.284 2.212 20 30 BEEDLO Cc1c[nH+]ccc1NC(=O)CCCCCC#N ZINC000588351898 343359857 /nfs/dbraw/zinc/35/98/57/343359857.db2.gz LIFJLJFVKBYENT-UHFFFAOYSA-N 1 2 231.299 2.225 20 30 BEEDLO N#CCC1(C[N@@H+]2CCC[C@H]2c2ncccn2)CC1 ZINC000602896706 349814097 /nfs/dbraw/zinc/81/40/97/349814097.db2.gz GNOVFNWJKHJQSN-LBPRGKRZSA-N 1 2 242.326 2.307 20 30 BEEDLO N#CCC1(C[N@H+]2CCC[C@H]2c2ncccn2)CC1 ZINC000602896706 349814098 /nfs/dbraw/zinc/81/40/98/349814098.db2.gz GNOVFNWJKHJQSN-LBPRGKRZSA-N 1 2 242.326 2.307 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1nccn1-c1ccccc1 ZINC000616731808 343554745 /nfs/dbraw/zinc/55/47/45/343554745.db2.gz XFJGPASMMDQPTF-LBPRGKRZSA-N 1 2 240.310 2.264 20 30 BEEDLO Cn1cc[nH+]c1CNc1ccc(C#N)cc1F ZINC000071274409 343646525 /nfs/dbraw/zinc/64/65/25/343646525.db2.gz IQFIVXNSWGECSK-UHFFFAOYSA-N 1 2 230.246 2.043 20 30 BEEDLO C=C(C)C[NH2+][C@H](Cc1ccccc1)C(=O)OCC ZINC000602941744 349825079 /nfs/dbraw/zinc/82/50/79/349825079.db2.gz XRENSQISBAGMIG-CQSZACIVSA-N 1 2 247.338 2.327 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)nc(C)n1 ZINC000602981913 349832860 /nfs/dbraw/zinc/83/28/60/349832860.db2.gz LEUYLDQXLHBGPY-OCCSQVGLSA-N 1 2 244.342 2.218 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)nc(C)n1 ZINC000602981913 349832863 /nfs/dbraw/zinc/83/28/63/349832863.db2.gz LEUYLDQXLHBGPY-OCCSQVGLSA-N 1 2 244.342 2.218 20 30 BEEDLO COc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)ccn1 ZINC000602980429 349845337 /nfs/dbraw/zinc/84/53/37/349845337.db2.gz QBDZSJJJMNDUAT-CHWSQXEVSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)ccn1 ZINC000602980429 349845340 /nfs/dbraw/zinc/84/53/40/349845340.db2.gz QBDZSJJJMNDUAT-CHWSQXEVSA-N 1 2 245.326 2.214 20 30 BEEDLO C[N@H+](Cc1ccnc(C#N)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980473 349845377 /nfs/dbraw/zinc/84/53/77/349845377.db2.gz QKZAXQRDXHIBBW-GXTWGEPZSA-N 1 2 240.310 2.077 20 30 BEEDLO C[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980473 349845379 /nfs/dbraw/zinc/84/53/79/349845379.db2.gz QKZAXQRDXHIBBW-GXTWGEPZSA-N 1 2 240.310 2.077 20 30 BEEDLO C=C(C)CCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000577060968 365797965 /nfs/dbraw/zinc/79/79/65/365797965.db2.gz VWVKDRYWBFTWPC-UHFFFAOYSA-N 1 2 233.315 2.208 20 30 BEEDLO Cc1nn(Cc2ccc(C)[nH+]c2C)cc1C#N ZINC000334687050 343901066 /nfs/dbraw/zinc/90/10/66/343901066.db2.gz DQANPDJVWKOCDA-UHFFFAOYSA-N 1 2 226.283 2.123 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1ccsc1C ZINC000590349665 347025276 /nfs/dbraw/zinc/02/52/76/347025276.db2.gz VDISJDLZBGZXEQ-UHFFFAOYSA-N 1 2 238.356 2.419 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1ccsc1C ZINC000590349665 347025279 /nfs/dbraw/zinc/02/52/79/347025279.db2.gz VDISJDLZBGZXEQ-UHFFFAOYSA-N 1 2 238.356 2.419 20 30 BEEDLO C=C[C@H]([NH2+]CC(C)(C)C(F)(F)CC)C(=O)OC ZINC000600613044 344336440 /nfs/dbraw/zinc/33/64/40/344336440.db2.gz FTSQRRGDMXEBQR-VIFPVBQESA-N 1 2 249.301 2.375 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573695355 344490896 /nfs/dbraw/zinc/49/08/96/344490896.db2.gz GGUHDIUJUNVYPC-YPMHNXCESA-N 1 2 247.342 2.155 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573695355 344490911 /nfs/dbraw/zinc/49/09/11/344490911.db2.gz GGUHDIUJUNVYPC-YPMHNXCESA-N 1 2 247.342 2.155 20 30 BEEDLO C[N@H+](Cc1ccco1)Cc1ccnc(C#N)c1 ZINC000068765731 344493615 /nfs/dbraw/zinc/49/36/15/344493615.db2.gz SBNCZPXAFIYQNY-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C[N@@H+](Cc1ccco1)Cc1ccnc(C#N)c1 ZINC000068765731 344493617 /nfs/dbraw/zinc/49/36/17/344493617.db2.gz SBNCZPXAFIYQNY-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000092018275 344533780 /nfs/dbraw/zinc/53/37/80/344533780.db2.gz VWXIEIVAYXRCHW-ZJUUUORDSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C#N)cs1 ZINC000092018275 344533781 /nfs/dbraw/zinc/53/37/81/344533781.db2.gz VWXIEIVAYXRCHW-ZJUUUORDSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H](c1cccc(O)c1)[N@H+](C)CCC#N ZINC000109781154 344534612 /nfs/dbraw/zinc/53/46/12/344534612.db2.gz NMOUVZJZEPAERS-JTQLQIEISA-N 1 2 204.273 2.299 20 30 BEEDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCC#N ZINC000109781154 344534614 /nfs/dbraw/zinc/53/46/14/344534614.db2.gz NMOUVZJZEPAERS-JTQLQIEISA-N 1 2 204.273 2.299 20 30 BEEDLO CC(C)c1nc(N2CCC(C#N)CC2)cc[nH+]1 ZINC000110383093 344553124 /nfs/dbraw/zinc/55/31/24/344553124.db2.gz BEMJSSVKVSCEBS-UHFFFAOYSA-N 1 2 230.315 2.340 20 30 BEEDLO C=C[C@@H]([NH2+]CCCSCC(C)C)C(=O)OC ZINC000309466354 347069920 /nfs/dbraw/zinc/06/99/20/347069920.db2.gz PLAQQDHYIPHFFD-LLVKDONJSA-N 1 2 245.388 2.083 20 30 BEEDLO Cc1cc(N2CCCCC2)c(C#N)c[nH+]1 ZINC000075563172 344779758 /nfs/dbraw/zinc/77/97/58/344779758.db2.gz GVPMFWRRHMWPPX-UHFFFAOYSA-N 1 2 201.273 2.252 20 30 BEEDLO CN(C)c1ccc(Nc2ncccc2C#N)c[nH+]1 ZINC000078504906 344875654 /nfs/dbraw/zinc/87/56/54/344875654.db2.gz YUKPGKUYFAYAOH-UHFFFAOYSA-N 1 2 239.282 2.158 20 30 BEEDLO CC#CC[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000157569328 187297486 /nfs/dbraw/zinc/29/74/86/187297486.db2.gz FIBMOIKKBQZZFZ-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO CC#CC[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000157569328 187297488 /nfs/dbraw/zinc/29/74/88/187297488.db2.gz FIBMOIKKBQZZFZ-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO CC(C)(C#N)CCCOCc1[nH]cc[nH+]1 ZINC000180046711 534983861 /nfs/dbraw/zinc/98/38/61/534983861.db2.gz GMTPMXQDJZDNEJ-UHFFFAOYSA-N 1 2 207.277 2.256 20 30 BEEDLO Cc1cc(N[C@@H](C)C[C@@H]2CCCO2)c(C#N)c[nH+]1 ZINC000425230420 192085358 /nfs/dbraw/zinc/08/53/58/192085358.db2.gz SRGFBFVJHALYQD-AAEUAGOBSA-N 1 2 245.326 2.053 20 30 BEEDLO C=C(Br)C[N@H+]1CCOCC[C@H]1C ZINC000306331181 345171906 /nfs/dbraw/zinc/17/19/06/345171906.db2.gz PUDIPFBAQBLNQM-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@@H+]1CCOCC[C@H]1C ZINC000306331181 345171907 /nfs/dbraw/zinc/17/19/07/345171907.db2.gz PUDIPFBAQBLNQM-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO CC1(C)COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000156348241 345144920 /nfs/dbraw/zinc/14/49/20/345144920.db2.gz IVWYHHXQGBWQAK-UHFFFAOYSA-N 1 2 247.313 2.288 20 30 BEEDLO CC1(C)COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000156348241 345144922 /nfs/dbraw/zinc/14/49/22/345144922.db2.gz IVWYHHXQGBWQAK-UHFFFAOYSA-N 1 2 247.313 2.288 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]c(C(C)C)n1 ZINC000425277972 192086629 /nfs/dbraw/zinc/08/66/29/192086629.db2.gz GEFNJIPNHUHLIO-RYUDHWBXSA-N 1 2 247.342 2.025 20 30 BEEDLO Cc1cc(N[C@H]2CC[C@@H](CC#N)C2)c(C#N)c[nH+]1 ZINC000425272402 192087302 /nfs/dbraw/zinc/08/73/02/192087302.db2.gz WTBWSKDAMNXKEN-AAEUAGOBSA-N 1 2 240.310 2.178 20 30 BEEDLO CCCN(CC#N)Cc1c[nH+]c2ccccn12 ZINC000158608330 345357562 /nfs/dbraw/zinc/35/75/62/345357562.db2.gz FODLTYIXRBBCDC-UHFFFAOYSA-N 1 2 228.299 2.070 20 30 BEEDLO CC[C@@H](O)C[N@H+](CCC#N)Cc1ccccc1 ZINC000134489854 345414038 /nfs/dbraw/zinc/41/40/38/345414038.db2.gz YBEVZDLPAVOKEO-CQSZACIVSA-N 1 2 232.327 2.173 20 30 BEEDLO CC[C@@H](O)C[N@@H+](CCC#N)Cc1ccccc1 ZINC000134489854 345414039 /nfs/dbraw/zinc/41/40/39/345414039.db2.gz YBEVZDLPAVOKEO-CQSZACIVSA-N 1 2 232.327 2.173 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cc(F)ccc1F ZINC000082599575 345480886 /nfs/dbraw/zinc/48/08/86/345480886.db2.gz KZSPJKUWWIKCLB-QMMMGPOBSA-N 1 2 210.227 2.357 20 30 BEEDLO Cc1cc(C(=O)C[NH+]2CCC(C#N)CC2)c(C)[nH]1 ZINC000142024886 345704511 /nfs/dbraw/zinc/70/45/11/345704511.db2.gz XRHOSPQZSLLLIU-UHFFFAOYSA-N 1 2 245.326 2.050 20 30 BEEDLO C[C@@H](NC(=O)C1(C#N)CCCCC1)c1[nH]cc[nH+]1 ZINC000139668026 345800968 /nfs/dbraw/zinc/80/09/68/345800968.db2.gz NBLBFFYGICXXDA-SNVBAGLBSA-N 1 2 246.314 2.061 20 30 BEEDLO C=CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635960900 346133502 /nfs/dbraw/zinc/13/35/02/346133502.db2.gz YQBJZYHVVNRUMR-GHMZBOCLSA-N 1 2 247.342 2.232 20 30 BEEDLO C=CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635960900 346133503 /nfs/dbraw/zinc/13/35/03/346133503.db2.gz YQBJZYHVVNRUMR-GHMZBOCLSA-N 1 2 247.342 2.232 20 30 BEEDLO C=C(C)C[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC000309975778 323122757 /nfs/dbraw/zinc/12/27/57/323122757.db2.gz SOCVPXBJWJMXIB-GFCCVEGCSA-N 1 2 225.332 2.274 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccon1)c1cccc(C#N)c1 ZINC000148737362 346423657 /nfs/dbraw/zinc/42/36/57/346423657.db2.gz YJRGDKXMCDKUSE-SNVBAGLBSA-N 1 2 227.267 2.397 20 30 BEEDLO CCCCc1cc(NCC2(CC#N)CC2)nc[nH+]1 ZINC000601159186 346515131 /nfs/dbraw/zinc/51/51/31/346515131.db2.gz JAYYJZKFCRMLBJ-UHFFFAOYSA-N 1 2 244.342 2.347 20 30 BEEDLO N#CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000181549189 346757286 /nfs/dbraw/zinc/75/72/86/346757286.db2.gz IBQGGCWUPHAFCX-ZDUSSCGKSA-N 1 2 200.285 2.121 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1ccc(O)cc1 ZINC000590052814 346768409 /nfs/dbraw/zinc/76/84/09/346768409.db2.gz SLSZRIBKTRHHBE-UHFFFAOYSA-N 1 2 216.284 2.294 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1ccc(O)cc1 ZINC000590052814 346768413 /nfs/dbraw/zinc/76/84/13/346768413.db2.gz SLSZRIBKTRHHBE-UHFFFAOYSA-N 1 2 216.284 2.294 20 30 BEEDLO C#Cc1cccc(N(C)CCCn2cc[nH+]c2)c1 ZINC000182749715 347105212 /nfs/dbraw/zinc/10/52/12/347105212.db2.gz UWGATNXSDSRKAA-UHFFFAOYSA-N 1 2 239.322 2.391 20 30 BEEDLO CC(C)Cn1cc(C[N@H+](C)[C@H](C)CC#N)cn1 ZINC000183261218 347123318 /nfs/dbraw/zinc/12/33/18/347123318.db2.gz DVEZHNMEPHVILU-GFCCVEGCSA-N 1 2 234.347 2.273 20 30 BEEDLO CC(C)Cn1cc(C[N@@H+](C)[C@H](C)CC#N)cn1 ZINC000183261218 347123320 /nfs/dbraw/zinc/12/33/20/347123320.db2.gz DVEZHNMEPHVILU-GFCCVEGCSA-N 1 2 234.347 2.273 20 30 BEEDLO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCC#N)o1 ZINC000020199489 347412551 /nfs/dbraw/zinc/41/25/51/347412551.db2.gz VSAAKVVEWBDVCD-GXSJLCMTSA-N 1 2 204.273 2.406 20 30 BEEDLO CC#CCN(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000336077508 347421019 /nfs/dbraw/zinc/42/10/19/347421019.db2.gz HDVZJNZXQQNUGF-UHFFFAOYSA-N 1 2 231.299 2.185 20 30 BEEDLO C=CCC(CC=C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926636 347458024 /nfs/dbraw/zinc/45/80/24/347458024.db2.gz JXZYLHADUKKJGB-UHFFFAOYSA-N 1 2 233.315 2.137 20 30 BEEDLO C=CCC(CC=C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926636 347458026 /nfs/dbraw/zinc/45/80/26/347458026.db2.gz JXZYLHADUKKJGB-UHFFFAOYSA-N 1 2 233.315 2.137 20 30 BEEDLO CC#CCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000364514747 347461221 /nfs/dbraw/zinc/46/12/21/347461221.db2.gz VKEBOYFUTZXZNC-LBPRGKRZSA-N 1 2 219.284 2.066 20 30 BEEDLO CC#CCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000364514747 347461224 /nfs/dbraw/zinc/46/12/24/347461224.db2.gz VKEBOYFUTZXZNC-LBPRGKRZSA-N 1 2 219.284 2.066 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000590765095 347529803 /nfs/dbraw/zinc/52/98/03/347529803.db2.gz WKWGORKIRRFVNP-CQSZACIVSA-N 1 2 247.338 2.463 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000590765095 347529804 /nfs/dbraw/zinc/52/98/04/347529804.db2.gz WKWGORKIRRFVNP-CQSZACIVSA-N 1 2 247.338 2.463 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1c(OC)cccc1OC ZINC000589821997 347577027 /nfs/dbraw/zinc/57/70/27/347577027.db2.gz GIEYRHBICYMYGD-LLVKDONJSA-N 1 2 248.326 2.486 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@H]1CC)C(=O)OC ZINC000591375014 347649761 /nfs/dbraw/zinc/64/97/61/347649761.db2.gz QNNCATAGFZDPDT-WOPDTQHZSA-N 1 2 225.332 2.130 20 30 BEEDLO C=C(CC)C[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000591376165 347650101 /nfs/dbraw/zinc/65/01/01/347650101.db2.gz LVIHLJDPNUQZTB-CQSZACIVSA-N 1 2 247.338 2.327 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C1CC1)C(=O)OC ZINC000591377329 347651186 /nfs/dbraw/zinc/65/11/86/347651186.db2.gz LTHBDSKSRMRPBI-AVGNSLFASA-N 1 2 237.343 2.130 20 30 BEEDLO C=C[C@@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000591036871 347609350 /nfs/dbraw/zinc/60/93/50/347609350.db2.gz OKAISTUYTJJBKS-KXNHARMFSA-N 1 2 225.332 2.128 20 30 BEEDLO Cc1occc1C[NH2+]C[C@H](C#N)CCC#N ZINC000591727937 347693385 /nfs/dbraw/zinc/69/33/85/347693385.db2.gz NQKXBOGTNBXQDX-NSHDSACASA-N 1 2 217.272 2.121 20 30 BEEDLO Cc1cc(NC[C@@H](C)CC(F)F)c(C#N)c[nH+]1 ZINC000591962046 347718732 /nfs/dbraw/zinc/71/87/32/347718732.db2.gz VSZJGSHJCMCURO-QMMMGPOBSA-N 1 2 239.269 2.387 20 30 BEEDLO Cc1nc(C[NH2+]C[C@@H](C#N)CCC#N)sc1C ZINC000591745654 347695484 /nfs/dbraw/zinc/69/54/84/347695484.db2.gz PXWVKOACCBNWFE-LLVKDONJSA-N 1 2 248.355 2.293 20 30 BEEDLO CO[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000591823813 347701136 /nfs/dbraw/zinc/70/11/36/347701136.db2.gz XIVRKDGELOSIER-ZDUSSCGKSA-N 1 2 245.326 2.267 20 30 BEEDLO Cc1cc(N2CC[C@H](C)[C@H](F)C2)c(C#N)c[nH+]1 ZINC000591822626 347701483 /nfs/dbraw/zinc/70/14/83/347701483.db2.gz NDUZEAQDQJIULA-JOYOIKCWSA-N 1 2 233.290 2.446 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccncc1C#N ZINC000592116244 347735794 /nfs/dbraw/zinc/73/57/94/347735794.db2.gz GFUNWRDJSWYLQO-CQSZACIVSA-N 1 2 227.311 2.494 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccncc1C#N ZINC000592116244 347735798 /nfs/dbraw/zinc/73/57/98/347735798.db2.gz GFUNWRDJSWYLQO-CQSZACIVSA-N 1 2 227.311 2.494 20 30 BEEDLO N#CC1(C[NH2+][C@H](CCO)c2ccccc2F)CC1 ZINC000592159131 347745996 /nfs/dbraw/zinc/74/59/96/347745996.db2.gz CYRWIBNMOZTTGC-CYBMUJFWSA-N 1 2 248.301 2.143 20 30 BEEDLO CC1(CC(F)F)C[NH+](C[C@@H](C#N)CCC#N)C1 ZINC000592446512 347780647 /nfs/dbraw/zinc/78/06/47/347780647.db2.gz CEGJUDHPPDXNFI-SNVBAGLBSA-N 1 2 241.285 2.407 20 30 BEEDLO CC#CC[N@@H+]1[C@@H](C)CC[C@H]1C(=O)OC(C)(C)C ZINC000593049103 347844667 /nfs/dbraw/zinc/84/46/67/347844667.db2.gz PZZYZLNHMQHJMA-RYUDHWBXSA-N 1 2 237.343 2.204 20 30 BEEDLO CC#CC[N@H+]1[C@@H](C)CC[C@H]1C(=O)OC(C)(C)C ZINC000593049103 347844668 /nfs/dbraw/zinc/84/46/68/347844668.db2.gz PZZYZLNHMQHJMA-RYUDHWBXSA-N 1 2 237.343 2.204 20 30 BEEDLO COCc1cc[nH+]c(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000593698519 347930747 /nfs/dbraw/zinc/93/07/47/347930747.db2.gz RIJGGWQEEVREEK-JQWIXIFHSA-N 1 2 231.299 2.332 20 30 BEEDLO CC(C)n1cc(C[NH2+]CC2(C#N)CCCC2)nn1 ZINC000593654407 347922000 /nfs/dbraw/zinc/92/20/00/347922000.db2.gz BVSVWUOQTKZLHZ-UHFFFAOYSA-N 1 2 247.346 2.033 20 30 BEEDLO CCc1nocc1C[NH2+]CC1(C#N)CCCC1 ZINC000593654983 347922694 /nfs/dbraw/zinc/92/26/94/347922694.db2.gz UCISCVKSBMKWEY-UHFFFAOYSA-N 1 2 233.315 2.411 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000594008706 347985070 /nfs/dbraw/zinc/98/50/70/347985070.db2.gz ZEWGJEJOVWWINK-NSHDSACASA-N 1 2 232.331 2.001 20 30 BEEDLO CCc1c[nH+]ccc1NC(=O)CCCCC#N ZINC000593978416 347986060 /nfs/dbraw/zinc/98/60/60/347986060.db2.gz XHPZDTRCOOBSOE-UHFFFAOYSA-N 1 2 231.299 2.088 20 30 BEEDLO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cscn1 ZINC000594965724 348160620 /nfs/dbraw/zinc/16/06/20/348160620.db2.gz IHEQYBHJJBJNFU-VIFPVBQESA-N 1 2 246.339 2.204 20 30 BEEDLO CC[N@@H+](Cc1cc(C)nc(C)n1)C[C@H](C)C#N ZINC000595297963 348216904 /nfs/dbraw/zinc/21/69/04/348216904.db2.gz LNRKKKIUCCNOEA-SNVBAGLBSA-N 1 2 232.331 2.075 20 30 BEEDLO CC[N@H+](Cc1cc(C)nc(C)n1)C[C@H](C)C#N ZINC000595297963 348216907 /nfs/dbraw/zinc/21/69/07/348216907.db2.gz LNRKKKIUCCNOEA-SNVBAGLBSA-N 1 2 232.331 2.075 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595500431 348263007 /nfs/dbraw/zinc/26/30/07/348263007.db2.gz JKLVYHNRQYMRCU-GFCCVEGCSA-N 1 2 215.300 2.175 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595500431 348263012 /nfs/dbraw/zinc/26/30/12/348263012.db2.gz JKLVYHNRQYMRCU-GFCCVEGCSA-N 1 2 215.300 2.175 20 30 BEEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CCCO)C1 ZINC000595521516 348269823 /nfs/dbraw/zinc/26/98/23/348269823.db2.gz DNAPNGIZEJPJJU-DZGCQCFKSA-N 1 2 244.338 2.346 20 30 BEEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@H](CCCO)C1 ZINC000595521516 348269825 /nfs/dbraw/zinc/26/98/25/348269825.db2.gz DNAPNGIZEJPJJU-DZGCQCFKSA-N 1 2 244.338 2.346 20 30 BEEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595617331 348290058 /nfs/dbraw/zinc/29/00/58/348290058.db2.gz YLHXHIVEOAYCBK-LLVKDONJSA-N 1 2 248.330 2.319 20 30 BEEDLO CC(C)c1nnc(C[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595617331 348290061 /nfs/dbraw/zinc/29/00/61/348290061.db2.gz YLHXHIVEOAYCBK-LLVKDONJSA-N 1 2 248.330 2.319 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCc2ccc(C)cc2C1 ZINC000595657179 348298068 /nfs/dbraw/zinc/29/80/68/348298068.db2.gz JZJFTUCXUAYSOZ-CQSZACIVSA-N 1 2 245.322 2.081 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCc2ccc(C)cc2C1 ZINC000595657179 348298069 /nfs/dbraw/zinc/29/80/69/348298069.db2.gz JZJFTUCXUAYSOZ-CQSZACIVSA-N 1 2 245.322 2.081 20 30 BEEDLO COc1ccncc1C[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595688141 348314209 /nfs/dbraw/zinc/31/42/09/348314209.db2.gz GUASITOCAODJHJ-DGCLKSJQSA-N 1 2 245.326 2.262 20 30 BEEDLO COC(C)(C)CC[N@H+]([C@@H](C)C#N)C1CC1 ZINC000595709668 348320557 /nfs/dbraw/zinc/32/05/57/348320557.db2.gz IHHSAZSIHRYHNG-JTQLQIEISA-N 1 2 210.321 2.178 20 30 BEEDLO COC(C)(C)CC[N@@H+]([C@@H](C)C#N)C1CC1 ZINC000595709668 348320559 /nfs/dbraw/zinc/32/05/59/348320559.db2.gz IHHSAZSIHRYHNG-JTQLQIEISA-N 1 2 210.321 2.178 20 30 BEEDLO CCN(Cc1cn2ccccc2[nH+]1)[C@H](C)C#N ZINC000595811391 348351202 /nfs/dbraw/zinc/35/12/02/348351202.db2.gz BGAGZZZJXAIGJK-LLVKDONJSA-N 1 2 228.299 2.068 20 30 BEEDLO C[C@H](C#N)[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000595711294 348323845 /nfs/dbraw/zinc/32/38/45/348323845.db2.gz XRFKAAIFIIBJQX-WISYIIOYSA-N 1 2 204.317 2.409 20 30 BEEDLO C[C@H](C#N)[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000595711294 348323847 /nfs/dbraw/zinc/32/38/47/348323847.db2.gz XRFKAAIFIIBJQX-WISYIIOYSA-N 1 2 204.317 2.409 20 30 BEEDLO C#CC[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184192843 348329682 /nfs/dbraw/zinc/32/96/82/348329682.db2.gz JZFSUOCYOHZKSX-LBPRGKRZSA-N 1 2 221.300 2.216 20 30 BEEDLO C=CCCCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000595775056 348337941 /nfs/dbraw/zinc/33/79/41/348337941.db2.gz ZVHIFKKQGHUMOS-LBPRGKRZSA-N 1 2 231.311 2.224 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000595834698 348368570 /nfs/dbraw/zinc/36/85/70/348368570.db2.gz KVIMENAKOMMVPO-AWEZNQCLSA-N 1 2 225.295 2.294 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000595834698 348368573 /nfs/dbraw/zinc/36/85/73/348368573.db2.gz KVIMENAKOMMVPO-AWEZNQCLSA-N 1 2 225.295 2.294 20 30 BEEDLO COc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835471 348368951 /nfs/dbraw/zinc/36/89/51/348368951.db2.gz QTRNTBWJRURMMX-CQSZACIVSA-N 1 2 230.311 2.431 20 30 BEEDLO COc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835471 348368954 /nfs/dbraw/zinc/36/89/54/348368954.db2.gz QTRNTBWJRURMMX-CQSZACIVSA-N 1 2 230.311 2.431 20 30 BEEDLO C[C@H](c1ccncc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840649 348374233 /nfs/dbraw/zinc/37/42/33/348374233.db2.gz QXNDJQQHUPBJFC-DGCLKSJQSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1ccncc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840649 348374235 /nfs/dbraw/zinc/37/42/35/348374235.db2.gz QXNDJQQHUPBJFC-DGCLKSJQSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1ccncc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840648 348374668 /nfs/dbraw/zinc/37/46/68/348374668.db2.gz QXNDJQQHUPBJFC-AAEUAGOBSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1ccncc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840648 348374670 /nfs/dbraw/zinc/37/46/70/348374670.db2.gz QXNDJQQHUPBJFC-AAEUAGOBSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1cccnc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841404 348376385 /nfs/dbraw/zinc/37/63/85/348376385.db2.gz VPHZNAZBSIAQGA-AAEUAGOBSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1cccnc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841404 348376386 /nfs/dbraw/zinc/37/63/86/348376386.db2.gz VPHZNAZBSIAQGA-AAEUAGOBSA-N 1 2 215.300 2.378 20 30 BEEDLO Cc1cncc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842207 348377765 /nfs/dbraw/zinc/37/77/65/348377765.db2.gz CMVBVIOAHRABNU-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cncc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595842207 348377767 /nfs/dbraw/zinc/37/77/67/348377767.db2.gz CMVBVIOAHRABNU-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000595842669 348379225 /nfs/dbraw/zinc/37/92/25/348379225.db2.gz GOTLGNDJGQBUSC-HNNXBMFYSA-N 1 2 224.307 2.274 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000595842669 348379227 /nfs/dbraw/zinc/37/92/27/348379227.db2.gz GOTLGNDJGQBUSC-HNNXBMFYSA-N 1 2 224.307 2.274 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000595844477 348381760 /nfs/dbraw/zinc/38/17/60/348381760.db2.gz TUCNYMSWSCPWQB-AWEZNQCLSA-N 1 2 243.285 2.433 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000595844477 348381762 /nfs/dbraw/zinc/38/17/62/348381762.db2.gz TUCNYMSWSCPWQB-AWEZNQCLSA-N 1 2 243.285 2.433 20 30 BEEDLO CCOc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)n1 ZINC000595844559 348381902 /nfs/dbraw/zinc/38/19/02/348381902.db2.gz UWLLQLBUUJCIAP-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO CCOc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)n1 ZINC000595844559 348381904 /nfs/dbraw/zinc/38/19/04/348381904.db2.gz UWLLQLBUUJCIAP-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO CC[N@H+](C[C@H](CC(C)C)OC)[C@@H](C)C#N ZINC000595818471 348358451 /nfs/dbraw/zinc/35/84/51/348358451.db2.gz NUHJECQPSROQKL-RYUDHWBXSA-N 1 2 212.337 2.281 20 30 BEEDLO CC[N@@H+](C[C@H](CC(C)C)OC)[C@@H](C)C#N ZINC000595818471 348358453 /nfs/dbraw/zinc/35/84/53/348358453.db2.gz NUHJECQPSROQKL-RYUDHWBXSA-N 1 2 212.337 2.281 20 30 BEEDLO CC[N@H+](CC[C@H]1CCCCO1)[C@@H](C)C#N ZINC000595819918 348361159 /nfs/dbraw/zinc/36/11/59/348361159.db2.gz GVTRJWJDUPQDJM-NWDGAFQWSA-N 1 2 210.321 2.180 20 30 BEEDLO CC[N@@H+](CC[C@H]1CCCCO1)[C@@H](C)C#N ZINC000595819918 348361160 /nfs/dbraw/zinc/36/11/60/348361160.db2.gz GVTRJWJDUPQDJM-NWDGAFQWSA-N 1 2 210.321 2.180 20 30 BEEDLO CC[N@H+](CCCC(=O)OC(C)(C)C)[C@H](C)C#N ZINC000595820097 348361348 /nfs/dbraw/zinc/36/13/48/348361348.db2.gz JIADZIAHSJRJAK-LLVKDONJSA-N 1 2 240.347 2.342 20 30 BEEDLO CC[N@@H+](CCCC(=O)OC(C)(C)C)[C@H](C)C#N ZINC000595820097 348361351 /nfs/dbraw/zinc/36/13/51/348361351.db2.gz JIADZIAHSJRJAK-LLVKDONJSA-N 1 2 240.347 2.342 20 30 BEEDLO CC[N@H+](C[C@@H](O)CC1CCCC1)[C@@H](C)C#N ZINC000595820677 348362717 /nfs/dbraw/zinc/36/27/17/348362717.db2.gz OXGVXOOAFUKZCC-AAEUAGOBSA-N 1 2 224.348 2.162 20 30 BEEDLO CC[N@@H+](C[C@@H](O)CC1CCCC1)[C@@H](C)C#N ZINC000595820677 348362722 /nfs/dbraw/zinc/36/27/22/348362722.db2.gz OXGVXOOAFUKZCC-AAEUAGOBSA-N 1 2 224.348 2.162 20 30 BEEDLO Cc1ncccc1OC[C@H]1CCC[N@@H+]1CCC#N ZINC000419399067 192131212 /nfs/dbraw/zinc/13/12/12/192131212.db2.gz IWANNTJWTWOABU-CYBMUJFWSA-N 1 2 245.326 2.147 20 30 BEEDLO Cc1ncccc1OC[C@H]1CCC[N@H+]1CCC#N ZINC000419399067 192131214 /nfs/dbraw/zinc/13/12/14/192131214.db2.gz IWANNTJWTWOABU-CYBMUJFWSA-N 1 2 245.326 2.147 20 30 BEEDLO C=CCCCN(C)c1cc(CC(=O)OC)cc[nH+]1 ZINC000596135368 348447781 /nfs/dbraw/zinc/44/77/81/348447781.db2.gz QUJOIAXACYWYPS-UHFFFAOYSA-N 1 2 248.326 2.200 20 30 BEEDLO N#CC[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000596330166 348509522 /nfs/dbraw/zinc/50/95/22/348509522.db2.gz JQXYKHLAOVCTDL-NSHDSACASA-N 1 2 242.326 2.484 20 30 BEEDLO C=CCCSCCNc1cc(C)[nH+]cc1C#N ZINC000596412740 348537890 /nfs/dbraw/zinc/53/78/90/348537890.db2.gz MAZJMVRDUBMRSA-UHFFFAOYSA-N 1 2 247.367 2.405 20 30 BEEDLO Cc1cc(N2CC[C@@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000596492341 348561168 /nfs/dbraw/zinc/56/11/68/348561168.db2.gz AGROBLUCPHLORG-NEPJUHHUSA-N 1 2 245.326 2.265 20 30 BEEDLO C=CCCCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000563892730 323194664 /nfs/dbraw/zinc/19/46/64/323194664.db2.gz LQPRQWOJOHVJGB-UHFFFAOYSA-N 1 2 235.331 2.426 20 30 BEEDLO COc1ccc(F)cc1C[NH+]1CC(CC#N)C1 ZINC000597203558 348677175 /nfs/dbraw/zinc/67/71/75/348677175.db2.gz KRTOTZGVKLNWKB-UHFFFAOYSA-N 1 2 234.274 2.180 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000597230413 348698605 /nfs/dbraw/zinc/69/86/05/348698605.db2.gz RWVWJRBTTSOBKK-AWEZNQCLSA-N 1 2 244.294 2.151 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000597230413 348698606 /nfs/dbraw/zinc/69/86/06/348698606.db2.gz RWVWJRBTTSOBKK-AWEZNQCLSA-N 1 2 244.294 2.151 20 30 BEEDLO C[C@]1(C#N)CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000597230828 348698799 /nfs/dbraw/zinc/69/87/99/348698799.db2.gz IYECVGMSELJKJA-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc3nccn32)C1 ZINC000597230828 348698801 /nfs/dbraw/zinc/69/88/01/348698801.db2.gz IYECVGMSELJKJA-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000597230828 348698804 /nfs/dbraw/zinc/69/88/04/348698804.db2.gz IYECVGMSELJKJA-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000597231694 348699812 /nfs/dbraw/zinc/69/98/12/348699812.db2.gz OFTSBKQSUXYKEE-HNNXBMFYSA-N 1 2 241.338 2.306 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000597231694 348699817 /nfs/dbraw/zinc/69/98/17/348699817.db2.gz OFTSBKQSUXYKEE-HNNXBMFYSA-N 1 2 241.338 2.306 20 30 BEEDLO Cn1ncc(C2CC2)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597232327 348699970 /nfs/dbraw/zinc/69/99/70/348699970.db2.gz SXOYTYGZMIMVHU-CQSZACIVSA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1ncc(C2CC2)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597232327 348699973 /nfs/dbraw/zinc/69/99/73/348699973.db2.gz SXOYTYGZMIMVHU-CQSZACIVSA-N 1 2 244.342 2.033 20 30 BEEDLO CCOc1cccc(C[N@H+](C)CC(C)(C)C#N)n1 ZINC000354018240 348785571 /nfs/dbraw/zinc/78/55/71/348785571.db2.gz OZNAITFZLWHWLN-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO CCOc1cccc(C[N@@H+](C)CC(C)(C)C#N)n1 ZINC000354018240 348785572 /nfs/dbraw/zinc/78/55/72/348785572.db2.gz OZNAITFZLWHWLN-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO C=CC[C@@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000184281872 348804665 /nfs/dbraw/zinc/80/46/65/348804665.db2.gz UCHMMMSNWBGYAG-JTQLQIEISA-N 1 2 241.718 2.072 20 30 BEEDLO C[C@@H](NC(=O)CCCCCC#N)c1[nH+]ccn1C ZINC000598465033 348978453 /nfs/dbraw/zinc/97/84/53/348978453.db2.gz NWTXNMIIJNLBCS-LLVKDONJSA-N 1 2 248.330 2.071 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cncc(Cl)c1 ZINC000598591273 348997685 /nfs/dbraw/zinc/99/76/85/348997685.db2.gz XZGVAJMOLBDIML-VIFPVBQESA-N 1 2 223.707 2.326 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cncc(Cl)c1 ZINC000598591273 348997686 /nfs/dbraw/zinc/99/76/86/348997686.db2.gz XZGVAJMOLBDIML-VIFPVBQESA-N 1 2 223.707 2.326 20 30 BEEDLO CC(C)(C#N)C[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000598591910 348997772 /nfs/dbraw/zinc/99/77/72/348997772.db2.gz FLJOKQZHGDOLJN-ZDUSSCGKSA-N 1 2 249.358 2.055 20 30 BEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000598591910 348997775 /nfs/dbraw/zinc/99/77/75/348997775.db2.gz FLJOKQZHGDOLJN-ZDUSSCGKSA-N 1 2 249.358 2.055 20 30 BEEDLO CCOc1cncc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000598672591 349019779 /nfs/dbraw/zinc/01/97/79/349019779.db2.gz BQUANBCLDMUQKD-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO CCOc1cncc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000598672591 349019782 /nfs/dbraw/zinc/01/97/82/349019782.db2.gz BQUANBCLDMUQKD-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO CCOc1cncc(C[N@H+](CC)CCC#N)c1 ZINC000598679603 349020881 /nfs/dbraw/zinc/02/08/81/349020881.db2.gz VYXXEKJBSDRMHN-UHFFFAOYSA-N 1 2 233.315 2.216 20 30 BEEDLO CCOc1cncc(C[N@@H+](CC)CCC#N)c1 ZINC000598679603 349020884 /nfs/dbraw/zinc/02/08/84/349020884.db2.gz VYXXEKJBSDRMHN-UHFFFAOYSA-N 1 2 233.315 2.216 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nccc(C)n1 ZINC000334763996 349037474 /nfs/dbraw/zinc/03/74/74/349037474.db2.gz FFCAPXNJMIBVJR-GFCCVEGCSA-N 1 2 217.316 2.326 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nccc(C)n1 ZINC000334763996 349037478 /nfs/dbraw/zinc/03/74/78/349037478.db2.gz FFCAPXNJMIBVJR-GFCCVEGCSA-N 1 2 217.316 2.326 20 30 BEEDLO CCC(F)(F)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000599069381 349086901 /nfs/dbraw/zinc/08/69/01/349086901.db2.gz YDIYKKCIZXEOGN-IUCAKERBSA-N 1 2 202.248 2.314 20 30 BEEDLO CCC(O)(CC)CN(C)c1cc(C)[nH+]cc1C#N ZINC000599191682 349115227 /nfs/dbraw/zinc/11/52/27/349115227.db2.gz HXFRTZIWQXJRCY-UHFFFAOYSA-N 1 2 247.342 2.249 20 30 BEEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1C#N ZINC000599249390 349130480 /nfs/dbraw/zinc/13/04/80/349130480.db2.gz ATXHYOAHOROEIM-LBPRGKRZSA-N 1 2 230.311 2.087 20 30 BEEDLO Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1C#N ZINC000599249390 349130483 /nfs/dbraw/zinc/13/04/83/349130483.db2.gz ATXHYOAHOROEIM-LBPRGKRZSA-N 1 2 230.311 2.087 20 30 BEEDLO N#C[C@@H](c1ccccc1)N1CCc2[nH+]c[nH]c2C1 ZINC000599421859 349183438 /nfs/dbraw/zinc/18/34/38/349183438.db2.gz IWKPUJLHNHZLRY-AWEZNQCLSA-N 1 2 238.294 2.033 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H](OCC)C1CC1 ZINC000599428071 349186107 /nfs/dbraw/zinc/18/61/07/349186107.db2.gz HMEGTKMIOMOOAX-CYBMUJFWSA-N 1 2 222.332 2.203 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H](OCC)C1CC1 ZINC000599428071 349186108 /nfs/dbraw/zinc/18/61/08/349186108.db2.gz HMEGTKMIOMOOAX-CYBMUJFWSA-N 1 2 222.332 2.203 20 30 BEEDLO N#CCCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000599538703 349221420 /nfs/dbraw/zinc/22/14/20/349221420.db2.gz QKLGYZAZWIDIFE-UHFFFAOYSA-N 1 2 202.257 2.012 20 30 BEEDLO N#CCCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599538703 349221423 /nfs/dbraw/zinc/22/14/23/349221423.db2.gz QKLGYZAZWIDIFE-UHFFFAOYSA-N 1 2 202.257 2.012 20 30 BEEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cn[nH]c1 ZINC000428430507 191057984 /nfs/dbraw/zinc/05/79/84/191057984.db2.gz NCACLSWVSLFMJE-VIFPVBQESA-N 1 2 244.273 2.271 20 30 BEEDLO Cc1[nH+]cccc1NCc1nc(C#N)cs1 ZINC000336735714 180226976 /nfs/dbraw/zinc/22/69/76/180226976.db2.gz LXLMDEAJLHAFDP-UHFFFAOYSA-N 1 2 230.296 2.330 20 30 BEEDLO C=CCCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000365355513 350250016 /nfs/dbraw/zinc/25/00/16/350250016.db2.gz BFILNLLZYNUSLO-NSHDSACASA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000365355513 350250019 /nfs/dbraw/zinc/25/00/19/350250019.db2.gz BFILNLLZYNUSLO-NSHDSACASA-N 1 2 233.302 2.435 20 30 BEEDLO C=C[C@@H]([NH2+][C@H](CCC)C1CCC1)C(=O)OC ZINC000324691123 350311258 /nfs/dbraw/zinc/31/12/58/350311258.db2.gz SZFDAVZDJMYRTC-VXGBXAGGSA-N 1 2 225.332 2.272 20 30 BEEDLO C=C[C@@H]([NH2+]CCC(C)(C)C1CC1)C(=O)OC ZINC000328567533 350403567 /nfs/dbraw/zinc/40/35/67/350403567.db2.gz NZAKFSCMTKFFJY-LLVKDONJSA-N 1 2 225.332 2.130 20 30 BEEDLO C=CCC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000606897057 350621496 /nfs/dbraw/zinc/62/14/96/350621496.db2.gz KFQZJMBRKFPCBE-NSHDSACASA-N 1 2 221.304 2.481 20 30 BEEDLO C=CCC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000606897057 350621498 /nfs/dbraw/zinc/62/14/98/350621498.db2.gz KFQZJMBRKFPCBE-NSHDSACASA-N 1 2 221.304 2.481 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1c(C)nn(C)c1Cl ZINC000124496389 350698454 /nfs/dbraw/zinc/69/84/54/350698454.db2.gz IYUBRASSQVEHHM-UHFFFAOYSA-N 1 2 234.130 2.224 20 30 BEEDLO Cc1ccoc1C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000567121125 350819560 /nfs/dbraw/zinc/81/95/60/350819560.db2.gz ZUOAIBZQXXNHFD-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1ccoc1C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000567121125 350819563 /nfs/dbraw/zinc/81/95/63/350819563.db2.gz ZUOAIBZQXXNHFD-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C=CC[C@@H](CC)Nc1nc[nH+]c(N)c1Cl ZINC000336715322 351097394 /nfs/dbraw/zinc/09/73/94/351097394.db2.gz WOFBGIWFWYCWDE-SSDOTTSWSA-N 1 2 226.711 2.479 20 30 BEEDLO C=CC[C@@H](CC)Nc1[nH+]cnc(N)c1Cl ZINC000336715322 351097395 /nfs/dbraw/zinc/09/73/95/351097395.db2.gz WOFBGIWFWYCWDE-SSDOTTSWSA-N 1 2 226.711 2.479 20 30 BEEDLO Cc1c[nH+]ccc1NC(=O)N(C)C[C@@H](C)C#N ZINC000271152522 351406685 /nfs/dbraw/zinc/40/66/85/351406685.db2.gz UBTMLSLCFQUDKU-VIFPVBQESA-N 1 2 232.287 2.013 20 30 BEEDLO COc1ccc(C[N@H+](CCC#N)CC2CC2)nc1 ZINC000271779552 351436406 /nfs/dbraw/zinc/43/64/06/351436406.db2.gz GOWWWOFQIFJGCU-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1ccc(C[N@@H+](CCC#N)CC2CC2)nc1 ZINC000271779552 351436411 /nfs/dbraw/zinc/43/64/11/351436411.db2.gz GOWWWOFQIFJGCU-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO C[N@H+](CCC(C)(C)C#N)Cc1ccon1 ZINC000272047749 351451502 /nfs/dbraw/zinc/45/15/02/351451502.db2.gz SLKGJWVMDIYIOO-UHFFFAOYSA-N 1 2 207.277 2.046 20 30 BEEDLO C[N@@H+](CCC(C)(C)C#N)Cc1ccon1 ZINC000272047749 351451503 /nfs/dbraw/zinc/45/15/03/351451503.db2.gz SLKGJWVMDIYIOO-UHFFFAOYSA-N 1 2 207.277 2.046 20 30 BEEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CCC#N ZINC000272882061 351500646 /nfs/dbraw/zinc/50/06/46/351500646.db2.gz CLZTUFPYCUIZFT-LLVKDONJSA-N 1 2 216.284 2.183 20 30 BEEDLO C[C@@H]1COc2ccccc2C[N@H+]1CCC#N ZINC000272882061 351500650 /nfs/dbraw/zinc/50/06/50/351500650.db2.gz CLZTUFPYCUIZFT-LLVKDONJSA-N 1 2 216.284 2.183 20 30 BEEDLO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)no1 ZINC000272471899 351478274 /nfs/dbraw/zinc/47/82/74/351478274.db2.gz ABQCLNFIOCTTND-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1cnc(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000272488952 351479775 /nfs/dbraw/zinc/47/97/75/351479775.db2.gz BXAGOHQTOLSMPR-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO N#CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000275636781 351602146 /nfs/dbraw/zinc/60/21/46/351602146.db2.gz CAWUSWLSOJSFEC-CYBMUJFWSA-N 1 2 240.310 2.392 20 30 BEEDLO CC(C)(O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405054712 351558595 /nfs/dbraw/zinc/55/85/95/351558595.db2.gz LUUDLECYHXEHIN-UHFFFAOYSA-N 1 2 230.311 2.035 20 30 BEEDLO CC(C)(O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405054712 351558597 /nfs/dbraw/zinc/55/85/97/351558597.db2.gz LUUDLECYHXEHIN-UHFFFAOYSA-N 1 2 230.311 2.035 20 30 BEEDLO CC(C)n1cc([C@@H](C)[NH2+]CCC#N)cn1 ZINC000572235753 323576103 /nfs/dbraw/zinc/57/61/03/323576103.db2.gz HSZDWPBWAZSBLB-SNVBAGLBSA-N 1 2 206.293 2.028 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)no1 ZINC000278759458 351781613 /nfs/dbraw/zinc/78/16/13/351781613.db2.gz XSJXOIZNJKMSDS-CMPLNLGQSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)no1 ZINC000278759458 351781617 /nfs/dbraw/zinc/78/16/17/351781617.db2.gz XSJXOIZNJKMSDS-CMPLNLGQSA-N 1 2 219.288 2.107 20 30 BEEDLO CC[C@@H]([NH2+]CC1(C#N)CC1)c1nccs1 ZINC000336733385 351759824 /nfs/dbraw/zinc/75/98/24/351759824.db2.gz MHGZIMPUQIZGOV-SECBINFHSA-N 1 2 221.329 2.488 20 30 BEEDLO Cc1ccc(CO[NH+]=C(N)[C@H]2CCCO2)cc1C ZINC000284039309 351990463 /nfs/dbraw/zinc/99/04/63/351990463.db2.gz IWFQAWHZKKQNQV-CYBMUJFWSA-N 1 2 248.326 2.271 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(F)ccc1F ZINC000339761591 191147449 /nfs/dbraw/zinc/14/74/49/191147449.db2.gz REHUEJILORDJFS-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(F)ccc1F ZINC000339761591 191147452 /nfs/dbraw/zinc/14/74/52/191147452.db2.gz REHUEJILORDJFS-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO N#CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285981548 352069431 /nfs/dbraw/zinc/06/94/31/352069431.db2.gz NZWBVSPEOSSNLQ-RBSFLKMASA-N 1 2 242.322 2.014 20 30 BEEDLO N#CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285981548 352069434 /nfs/dbraw/zinc/06/94/34/352069434.db2.gz NZWBVSPEOSSNLQ-RBSFLKMASA-N 1 2 242.322 2.014 20 30 BEEDLO N#CCC[NH2+]Cc1ccccc1OC(F)F ZINC000020199941 352141612 /nfs/dbraw/zinc/14/16/12/352141612.db2.gz SETMGPPLPDOBLR-UHFFFAOYSA-N 1 2 226.226 2.291 20 30 BEEDLO COCC(C)(C)C/[NH+]=C/c1cccc(O)c1O ZINC000291846310 352291532 /nfs/dbraw/zinc/29/15/32/352291532.db2.gz HGBTVPQXSHFRQH-VGOFMYFVSA-N 1 2 237.299 2.189 20 30 BEEDLO C=CC[N@@H+](CCC#N)[C@H]1Cc2ccccc2[C@H]1O ZINC000292097583 352301926 /nfs/dbraw/zinc/30/19/26/352301926.db2.gz GCKIBMANVPJKKC-LSDHHAIUSA-N 1 2 242.322 2.046 20 30 BEEDLO C=CC[N@H+](CCC#N)[C@H]1Cc2ccccc2[C@H]1O ZINC000292097583 352301928 /nfs/dbraw/zinc/30/19/28/352301928.db2.gz GCKIBMANVPJKKC-LSDHHAIUSA-N 1 2 242.322 2.046 20 30 BEEDLO Oc1ccc(/C=[NH+]/CC2CCCC2)c(O)c1O ZINC000298360199 352500919 /nfs/dbraw/zinc/50/09/19/352500919.db2.gz RWTWZLMSNOAHBM-RIYZIHGNSA-N 1 2 235.283 2.413 20 30 BEEDLO CC#CC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411901890 191228458 /nfs/dbraw/zinc/22/84/58/191228458.db2.gz GAJZIOQYKRJXAU-LLVKDONJSA-N 1 2 237.343 2.204 20 30 BEEDLO CC#CC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411901890 191228460 /nfs/dbraw/zinc/22/84/60/191228460.db2.gz GAJZIOQYKRJXAU-LLVKDONJSA-N 1 2 237.343 2.204 20 30 BEEDLO C=CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000334262787 352896145 /nfs/dbraw/zinc/89/61/45/352896145.db2.gz IYLVWEOPTYZDBE-UHFFFAOYSA-N 1 2 245.301 2.005 20 30 BEEDLO Cc1ncc(C[N@@H+](C)CC2(C#N)CC2)s1 ZINC000343163499 352977499 /nfs/dbraw/zinc/97/74/99/352977499.db2.gz SIUAMFNCCPNWAZ-UHFFFAOYSA-N 1 2 221.329 2.187 20 30 BEEDLO Cc1ncc(C[N@H+](C)CC2(C#N)CC2)s1 ZINC000343163499 352977501 /nfs/dbraw/zinc/97/75/01/352977501.db2.gz SIUAMFNCCPNWAZ-UHFFFAOYSA-N 1 2 221.329 2.187 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)s1 ZINC000271122791 188024953 /nfs/dbraw/zinc/02/49/53/188024953.db2.gz KYUUQAUFXCUOIE-STQMWFEESA-N 1 2 248.351 2.373 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)s1 ZINC000271122791 188024954 /nfs/dbraw/zinc/02/49/54/188024954.db2.gz KYUUQAUFXCUOIE-STQMWFEESA-N 1 2 248.351 2.373 20 30 BEEDLO C=C1CC[NH+](Cc2c(Cl)cnn2C)CC1 ZINC000275796624 188028621 /nfs/dbraw/zinc/02/86/21/188028621.db2.gz ZLNCGAACLTWXIF-UHFFFAOYSA-N 1 2 225.723 2.226 20 30 BEEDLO CC(C)(C)[C@H]1C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000280477779 188031947 /nfs/dbraw/zinc/03/19/47/188031947.db2.gz NULQJPCFKLTZTJ-CYBMUJFWSA-N 1 2 248.326 2.398 20 30 BEEDLO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000280477779 188031948 /nfs/dbraw/zinc/03/19/48/188031948.db2.gz NULQJPCFKLTZTJ-CYBMUJFWSA-N 1 2 248.326 2.398 20 30 BEEDLO CC(C)(C)c1cc(C(=O)NCc2c[nH+]c[nH]2)no1 ZINC000331086366 353217118 /nfs/dbraw/zinc/21/71/18/353217118.db2.gz PGSKUMATRDGQFB-UHFFFAOYSA-N 1 2 248.286 2.200 20 30 BEEDLO CC(C)(C)c1cc(C(=O)NCc2c[nH]c[nH+]2)no1 ZINC000331086366 353217120 /nfs/dbraw/zinc/21/71/20/353217120.db2.gz PGSKUMATRDGQFB-UHFFFAOYSA-N 1 2 248.286 2.200 20 30 BEEDLO O=C(NCCc1[nH]cc[nH+]1)C1=CCCC1 ZINC000330986481 353209097 /nfs/dbraw/zinc/20/90/97/353209097.db2.gz QBVOVFOGMJFKSM-UHFFFAOYSA-N 1 2 205.261 2.019 20 30 BEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1cnc(C)cn1 ZINC000331194652 353228609 /nfs/dbraw/zinc/22/86/09/353228609.db2.gz WMZVFLWFAICFPZ-JQWIXIFHSA-N 1 2 232.331 2.328 20 30 BEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1cnc(C)cn1 ZINC000331194652 353228610 /nfs/dbraw/zinc/22/86/10/353228610.db2.gz WMZVFLWFAICFPZ-JQWIXIFHSA-N 1 2 232.331 2.328 20 30 BEEDLO CC(C)n1ccnc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331303855 353243092 /nfs/dbraw/zinc/24/30/92/353243092.db2.gz ANAYPAHYEJSTED-NWDGAFQWSA-N 1 2 232.331 2.246 20 30 BEEDLO CC(C)n1cc[nH+]c1CN[C@@H]1CCC[C@H]1C#N ZINC000331303855 353243094 /nfs/dbraw/zinc/24/30/94/353243094.db2.gz ANAYPAHYEJSTED-NWDGAFQWSA-N 1 2 232.331 2.246 20 30 BEEDLO CC(C)n1ccnc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331303857 353243821 /nfs/dbraw/zinc/24/38/21/353243821.db2.gz ANAYPAHYEJSTED-VXGBXAGGSA-N 1 2 232.331 2.246 20 30 BEEDLO CC(C)n1cc[nH+]c1CN[C@@H]1CCC[C@@H]1C#N ZINC000331303857 353243823 /nfs/dbraw/zinc/24/38/23/353243823.db2.gz ANAYPAHYEJSTED-VXGBXAGGSA-N 1 2 232.331 2.246 20 30 BEEDLO CC[C@@H](C#N)[NH2+][C@@H](CCOC)C(C)(C)C ZINC000336768428 353277148 /nfs/dbraw/zinc/27/71/48/353277148.db2.gz UDHLYSHKDJAFOY-QWRGUYRKSA-N 1 2 212.337 2.329 20 30 BEEDLO C=CCCCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000178089424 188252569 /nfs/dbraw/zinc/25/25/69/188252569.db2.gz BVGKYKMSDGIFQW-UHFFFAOYSA-N 1 2 235.331 2.088 20 30 BEEDLO C=C1CC[NH+](Cc2nccc(OC)c2OC)CC1 ZINC000276468537 188266107 /nfs/dbraw/zinc/26/61/07/188266107.db2.gz MWBDLLDKBYGISA-UHFFFAOYSA-N 1 2 248.326 2.251 20 30 BEEDLO C=C1CC[NH+](CC(=O)OCc2ccccc2)CC1 ZINC000264498765 188259968 /nfs/dbraw/zinc/25/99/68/188259968.db2.gz VEAFEFOPOHOAJW-UHFFFAOYSA-N 1 2 245.322 2.382 20 30 BEEDLO C=CCC[C@@H](C)[NH2+]c1ccc(OCC(N)=O)cc1 ZINC000130602775 353356771 /nfs/dbraw/zinc/35/67/71/353356771.db2.gz JCLJRZBUAYMUDC-LLVKDONJSA-N 1 2 248.326 2.317 20 30 BEEDLO N#Cc1cc(F)ccc1C[NH+]1CCSCC1 ZINC000103226523 188335431 /nfs/dbraw/zinc/33/54/31/188335431.db2.gz HCLIUCPDAWCJHK-UHFFFAOYSA-N 1 2 236.315 2.246 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000191197398 353446027 /nfs/dbraw/zinc/44/60/27/353446027.db2.gz IVMGXPZBCWBTMK-GMTAPVOTSA-N 1 2 243.734 2.012 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000191197398 353446030 /nfs/dbraw/zinc/44/60/30/353446030.db2.gz IVMGXPZBCWBTMK-GMTAPVOTSA-N 1 2 243.734 2.012 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000191197431 353446164 /nfs/dbraw/zinc/44/61/64/353446164.db2.gz IVMGXPZBCWBTMK-OUAUKWLOSA-N 1 2 243.734 2.012 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000191197431 353446165 /nfs/dbraw/zinc/44/61/65/353446165.db2.gz IVMGXPZBCWBTMK-OUAUKWLOSA-N 1 2 243.734 2.012 20 30 BEEDLO N#CCCC[N@H+]1CCC=C(Br)C1 ZINC000281774281 353452283 /nfs/dbraw/zinc/45/22/83/353452283.db2.gz ZZDGEJFJHAGJLY-UHFFFAOYSA-N 1 2 229.121 2.275 20 30 BEEDLO N#CCCC[N@@H+]1CCC=C(Br)C1 ZINC000281774281 353452284 /nfs/dbraw/zinc/45/22/84/353452284.db2.gz ZZDGEJFJHAGJLY-UHFFFAOYSA-N 1 2 229.121 2.275 20 30 BEEDLO C[C@@H]([NH2+]CCCC#N)c1nc(C(C)(C)C)no1 ZINC000183122864 353514541 /nfs/dbraw/zinc/51/45/41/353514541.db2.gz KYMGLDHMAHALIN-SECBINFHSA-N 1 2 236.319 2.321 20 30 BEEDLO CCOC(=O)C(CC)(CC)[NH2+]CCCC#N ZINC000336778819 353527316 /nfs/dbraw/zinc/52/73/16/353527316.db2.gz MKRYUELWKYEWAP-UHFFFAOYSA-N 1 2 226.320 2.002 20 30 BEEDLO C#CC[N@@H+](Cc1ccn(C)n1)Cc1ccccc1 ZINC000285634141 353537528 /nfs/dbraw/zinc/53/75/28/353537528.db2.gz KZKWPNIWGYJUDL-UHFFFAOYSA-N 1 2 239.322 2.056 20 30 BEEDLO C#CC[N@H+](Cc1ccn(C)n1)Cc1ccccc1 ZINC000285634141 353537530 /nfs/dbraw/zinc/53/75/30/353537530.db2.gz KZKWPNIWGYJUDL-UHFFFAOYSA-N 1 2 239.322 2.056 20 30 BEEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000192237758 353538284 /nfs/dbraw/zinc/53/82/84/353538284.db2.gz GAJVVEKNWZHLDI-UHFFFAOYSA-N 1 2 244.338 2.314 20 30 BEEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000192237758 353538287 /nfs/dbraw/zinc/53/82/87/353538287.db2.gz GAJVVEKNWZHLDI-UHFFFAOYSA-N 1 2 244.338 2.314 20 30 BEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000192232429 353538412 /nfs/dbraw/zinc/53/84/12/353538412.db2.gz ROMKJRIFTJCVME-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000192232429 353538413 /nfs/dbraw/zinc/53/84/13/353538413.db2.gz ROMKJRIFTJCVME-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135222297 353539908 /nfs/dbraw/zinc/53/99/08/353539908.db2.gz CUGADZORIQLGAS-UHFFFAOYSA-N 1 2 230.267 2.192 20 30 BEEDLO C#CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135222297 353539909 /nfs/dbraw/zinc/53/99/09/353539909.db2.gz CUGADZORIQLGAS-UHFFFAOYSA-N 1 2 230.267 2.192 20 30 BEEDLO C(#Cc1ccccc1)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000192137468 353543557 /nfs/dbraw/zinc/54/35/57/353543557.db2.gz GLTCIJBHGWDGPL-MRXNPFEDSA-N 1 2 241.334 2.149 20 30 BEEDLO C(#Cc1ccccc1)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000192137468 353543561 /nfs/dbraw/zinc/54/35/61/353543561.db2.gz GLTCIJBHGWDGPL-MRXNPFEDSA-N 1 2 241.334 2.149 20 30 BEEDLO Cc1cc(C)c(NC(=O)CSCC#N)c(C)[nH+]1 ZINC000192553208 353554417 /nfs/dbraw/zinc/55/44/17/353554417.db2.gz BARYWCNRELLRBG-UHFFFAOYSA-N 1 2 249.339 2.202 20 30 BEEDLO C=CC[C@@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000289264281 353621407 /nfs/dbraw/zinc/62/14/07/353621407.db2.gz OORKFRGWPBVAIS-DGCLKSJQSA-N 1 2 242.326 2.448 20 30 BEEDLO C=CC[C@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000289264282 353621717 /nfs/dbraw/zinc/62/17/17/353621717.db2.gz OORKFRGWPBVAIS-WCQYABFASA-N 1 2 242.326 2.448 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cn(C(C)C)nn1 ZINC000289173161 353619856 /nfs/dbraw/zinc/61/98/56/353619856.db2.gz SBTIORYWXSEGCI-UHFFFAOYSA-N 1 2 220.320 2.033 20 30 BEEDLO C=CC[N@@H+](Cc1cn(C(C)C)nn1)C1CC1 ZINC000290534734 353658983 /nfs/dbraw/zinc/65/89/83/353658983.db2.gz YIHFPCYQMAFUDV-UHFFFAOYSA-N 1 2 220.320 2.009 20 30 BEEDLO C=CC[N@H+](Cc1cn(C(C)C)nn1)C1CC1 ZINC000290534734 353658984 /nfs/dbraw/zinc/65/89/84/353658984.db2.gz YIHFPCYQMAFUDV-UHFFFAOYSA-N 1 2 220.320 2.009 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000294040652 353767170 /nfs/dbraw/zinc/76/71/70/353767170.db2.gz IPFMAXAZTLMCJP-RKDXNWHRSA-N 1 2 211.696 2.231 20 30 BEEDLO C#C[C@@H](NC(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000294158499 353770794 /nfs/dbraw/zinc/77/07/94/353770794.db2.gz HZRSPDURWAWJKG-LLVKDONJSA-N 1 2 231.299 2.169 20 30 BEEDLO C=CC(C)(C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000294320569 353774279 /nfs/dbraw/zinc/77/42/79/353774279.db2.gz JYCUNUNNZFMXBJ-UHFFFAOYSA-N 1 2 243.310 2.163 20 30 BEEDLO C#C[C@H](NC(=O)Nc1ccc(C)[nH+]c1C)C(C)C ZINC000296466540 353820524 /nfs/dbraw/zinc/82/05/24/353820524.db2.gz BAPYUBMEHOPQRE-LBPRGKRZSA-N 1 2 245.326 2.478 20 30 BEEDLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(CC#N)cc1 ZINC000343534128 353929651 /nfs/dbraw/zinc/92/96/51/353929651.db2.gz QMXWDMWPGINEAF-UHFFFAOYSA-N 1 2 240.310 2.108 20 30 BEEDLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(CC#N)cc1 ZINC000343534128 353929654 /nfs/dbraw/zinc/92/96/54/353929654.db2.gz QMXWDMWPGINEAF-UHFFFAOYSA-N 1 2 240.310 2.108 20 30 BEEDLO C[C@H](c1ccccn1)[N@H+](C)CC1(C#N)CC1 ZINC000343649949 353953421 /nfs/dbraw/zinc/95/34/21/353953421.db2.gz ZGOUKFJHEHNDAY-LLVKDONJSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1ccccn1)[N@@H+](C)CC1(C#N)CC1 ZINC000343649949 353953422 /nfs/dbraw/zinc/95/34/22/353953422.db2.gz ZGOUKFJHEHNDAY-LLVKDONJSA-N 1 2 215.300 2.378 20 30 BEEDLO N#CCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049715201 181048664 /nfs/dbraw/zinc/04/86/64/181048664.db2.gz ZMUCYQSROFQLAJ-UHFFFAOYSA-N 1 2 212.256 2.088 20 30 BEEDLO N#Cc1cc(F)ccc1NCCn1cc[nH+]c1 ZINC000107037853 181088257 /nfs/dbraw/zinc/08/82/57/181088257.db2.gz VOZPZDBRAIDWNQ-UHFFFAOYSA-N 1 2 230.246 2.006 20 30 BEEDLO N#Cc1cccc(C#N)c1NCc1ccc(N)[nH+]c1 ZINC000302816094 181134202 /nfs/dbraw/zinc/13/42/02/181134202.db2.gz IICYKFIRMYLUNH-UHFFFAOYSA-N 1 2 249.277 2.019 20 30 BEEDLO C[N@H+](Cc1nc(C#N)cs1)[C@@H]1CC1(C)C ZINC000335179779 354953831 /nfs/dbraw/zinc/95/38/31/354953831.db2.gz SJGGUCUBYSSACM-SECBINFHSA-N 1 2 221.329 2.245 20 30 BEEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CC1(C)C ZINC000335179779 354953835 /nfs/dbraw/zinc/95/38/35/354953835.db2.gz SJGGUCUBYSSACM-SECBINFHSA-N 1 2 221.329 2.245 20 30 BEEDLO N#Cc1csc(C[NH2+][C@@H]2CCCC[C@H]2F)n1 ZINC000335630992 181167494 /nfs/dbraw/zinc/16/74/94/181167494.db2.gz IIEYSLHILBFXEX-NXEZZACHSA-N 1 2 239.319 2.385 20 30 BEEDLO C=C(C)C[C@@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346949933 355163610 /nfs/dbraw/zinc/16/36/10/355163610.db2.gz WKVYWDGOPHFVJI-SNVBAGLBSA-N 1 2 246.314 2.464 20 30 BEEDLO C=CCCCN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413151850 191357171 /nfs/dbraw/zinc/35/71/71/191357171.db2.gz BMFRYYJVDIIVLG-UHFFFAOYSA-N 1 2 232.331 2.453 20 30 BEEDLO C=CCCCN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413151850 191357173 /nfs/dbraw/zinc/35/71/73/191357173.db2.gz BMFRYYJVDIIVLG-UHFFFAOYSA-N 1 2 232.331 2.453 20 30 BEEDLO C=C[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413182823 191361003 /nfs/dbraw/zinc/36/10/03/191361003.db2.gz HHKIPYVCWUQTLY-QMMMGPOBSA-N 1 2 204.277 2.037 20 30 BEEDLO C=C[C@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413182823 191361005 /nfs/dbraw/zinc/36/10/05/191361005.db2.gz HHKIPYVCWUQTLY-QMMMGPOBSA-N 1 2 204.277 2.037 20 30 BEEDLO C=CCN(c1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000413226514 191365005 /nfs/dbraw/zinc/36/50/05/191365005.db2.gz OLGAXNUUVPZYGA-UHFFFAOYSA-N 1 2 230.315 2.206 20 30 BEEDLO C=CCN(c1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000413226514 191365008 /nfs/dbraw/zinc/36/50/08/191365008.db2.gz OLGAXNUUVPZYGA-UHFFFAOYSA-N 1 2 230.315 2.206 20 30 BEEDLO CC(C)(CC#N)CNc1cc[nH+]c(C2CC2)n1 ZINC000413416656 191381842 /nfs/dbraw/zinc/38/18/42/191381842.db2.gz YCZHZBIGXHGEGL-UHFFFAOYSA-N 1 2 230.315 2.128 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C#N)ccc1OC ZINC000583508499 355346089 /nfs/dbraw/zinc/34/60/89/355346089.db2.gz MEYXTKRVYTTXFJ-CYBMUJFWSA-N 1 2 243.310 2.349 20 30 BEEDLO C[C@H]1C[C@H](Nc2cccc(C#N)n2)c2[nH+]ccn21 ZINC000582162860 355350059 /nfs/dbraw/zinc/35/00/59/355350059.db2.gz UJXFAKKVSUSNNU-ONGXEEELSA-N 1 2 239.282 2.268 20 30 BEEDLO N#CCCC[N@H+]1CCOc2c(F)cccc2C1 ZINC000335859734 355605662 /nfs/dbraw/zinc/60/56/62/355605662.db2.gz MOYIOXQAFBTAIR-UHFFFAOYSA-N 1 2 234.274 2.324 20 30 BEEDLO N#CCCC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000335859734 355605666 /nfs/dbraw/zinc/60/56/66/355605666.db2.gz MOYIOXQAFBTAIR-UHFFFAOYSA-N 1 2 234.274 2.324 20 30 BEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000350393198 355695331 /nfs/dbraw/zinc/69/53/31/355695331.db2.gz PKVGQZNOOCPILD-SCZZXKLOSA-N 1 2 240.257 2.060 20 30 BEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000350393200 355695373 /nfs/dbraw/zinc/69/53/73/355695373.db2.gz PKVGQZNOOCPILD-WCBMZHEXSA-N 1 2 240.257 2.060 20 30 BEEDLO C[N@H+](CC#N)C[C@@H]1CCc2ccccc2C1 ZINC000335906244 356105433 /nfs/dbraw/zinc/10/54/33/356105433.db2.gz DFBQWOYCIRUDDU-GFCCVEGCSA-N 1 2 214.312 2.247 20 30 BEEDLO C[N@@H+](CC#N)C[C@@H]1CCc2ccccc2C1 ZINC000335906244 356105436 /nfs/dbraw/zinc/10/54/36/356105436.db2.gz DFBQWOYCIRUDDU-GFCCVEGCSA-N 1 2 214.312 2.247 20 30 BEEDLO C[C@H](c1cnccn1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000613481861 363458800 /nfs/dbraw/zinc/45/88/00/363458800.db2.gz LZBRRXIDTPFIRM-DGCLKSJQSA-N 1 2 230.315 2.163 20 30 BEEDLO C[C@H](c1cnccn1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000613481861 363458806 /nfs/dbraw/zinc/45/88/06/363458806.db2.gz LZBRRXIDTPFIRM-DGCLKSJQSA-N 1 2 230.315 2.163 20 30 BEEDLO O=C(CCC1CCOCC1)NCc1[nH]cc[nH+]1 ZINC000329846458 356130695 /nfs/dbraw/zinc/13/06/95/356130695.db2.gz YGLVRTDORCZRJO-UHFFFAOYSA-N 1 2 237.303 2.073 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000035216078 356311722 /nfs/dbraw/zinc/31/17/22/356311722.db2.gz PJAKYOAITDVTKA-AWEZNQCLSA-N 1 2 230.311 2.169 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000035216078 356311726 /nfs/dbraw/zinc/31/17/26/356311726.db2.gz PJAKYOAITDVTKA-AWEZNQCLSA-N 1 2 230.311 2.169 20 30 BEEDLO CCC(CC)C[N@H+](CCC#N)CC(C)=O ZINC000639508580 356337773 /nfs/dbraw/zinc/33/77/73/356337773.db2.gz WVNKNGMEGQKVDB-UHFFFAOYSA-N 1 2 210.321 2.227 20 30 BEEDLO CCC(CC)C[N@@H+](CCC#N)CC(C)=O ZINC000639508580 356337776 /nfs/dbraw/zinc/33/77/76/356337776.db2.gz WVNKNGMEGQKVDB-UHFFFAOYSA-N 1 2 210.321 2.227 20 30 BEEDLO CC(C)[C@H](O)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000336136839 134096509 /nfs/dbraw/zinc/09/65/09/134096509.db2.gz SPCMRDVMQJSFEW-NEPJUHHUSA-N 1 2 224.348 2.017 20 30 BEEDLO CC(C)[C@H](O)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000336136839 134096510 /nfs/dbraw/zinc/09/65/10/134096510.db2.gz SPCMRDVMQJSFEW-NEPJUHHUSA-N 1 2 224.348 2.017 20 30 BEEDLO C=CC[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000617780191 356348156 /nfs/dbraw/zinc/34/81/56/356348156.db2.gz QESINMFIXAHRRE-LBPRGKRZSA-N 1 2 247.342 2.075 20 30 BEEDLO C=CC[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000617780405 356348692 /nfs/dbraw/zinc/34/86/92/356348692.db2.gz VBKNTWFPYUFHNL-LBPRGKRZSA-N 1 2 247.342 2.157 20 30 BEEDLO C=C(C)CCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420847355 192267490 /nfs/dbraw/zinc/26/74/90/192267490.db2.gz QBOCUQATFAHVHX-UHFFFAOYSA-N 1 2 247.342 2.464 20 30 BEEDLO N#CC1(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)CCC1 ZINC000336187395 134122256 /nfs/dbraw/zinc/12/22/56/134122256.db2.gz ZNUBPCVBENFZDN-OLZOCXBDSA-N 1 2 234.343 2.324 20 30 BEEDLO N#CC1(C[N@H+]2CCO[C@H]3CCCC[C@H]32)CCC1 ZINC000336187395 134122257 /nfs/dbraw/zinc/12/22/57/134122257.db2.gz ZNUBPCVBENFZDN-OLZOCXBDSA-N 1 2 234.343 2.324 20 30 BEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421009322 192300709 /nfs/dbraw/zinc/30/07/09/192300709.db2.gz BPMBXTGKLUYUJT-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421009322 192300712 /nfs/dbraw/zinc/30/07/12/192300712.db2.gz BPMBXTGKLUYUJT-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421019768 192304095 /nfs/dbraw/zinc/30/40/95/192304095.db2.gz MRLNMCWZQYFURA-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421019768 192304098 /nfs/dbraw/zinc/30/40/98/192304098.db2.gz MRLNMCWZQYFURA-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO C[N@H+](Cc1cscn1)CC1(CC#N)CC1 ZINC000088259437 356644192 /nfs/dbraw/zinc/64/41/92/356644192.db2.gz LQFBDCAHHSLOFT-UHFFFAOYSA-N 1 2 221.329 2.269 20 30 BEEDLO C[N@@H+](Cc1cscn1)CC1(CC#N)CC1 ZINC000088259437 356644195 /nfs/dbraw/zinc/64/41/95/356644195.db2.gz LQFBDCAHHSLOFT-UHFFFAOYSA-N 1 2 221.329 2.269 20 30 BEEDLO Cc1ccn2c(CN(CC#N)C3CC3)c[nH+]c2c1 ZINC000352738582 134151924 /nfs/dbraw/zinc/15/19/24/134151924.db2.gz VCJQQYNRBKIKIG-UHFFFAOYSA-N 1 2 240.310 2.131 20 30 BEEDLO C=CCO[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000302139222 134157409 /nfs/dbraw/zinc/15/74/09/134157409.db2.gz IWCJDNACEATRKT-LBPRGKRZSA-N 1 2 247.342 2.381 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000179931921 366336894 /nfs/dbraw/zinc/33/68/94/366336894.db2.gz KIXVPBNMOZPOGH-NSHDSACASA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000179931921 366336897 /nfs/dbraw/zinc/33/68/97/366336897.db2.gz KIXVPBNMOZPOGH-NSHDSACASA-N 1 2 236.340 2.231 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353175509 134162334 /nfs/dbraw/zinc/16/23/34/134162334.db2.gz SDLXXATWAJJINS-NXEZZACHSA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353175509 134162335 /nfs/dbraw/zinc/16/23/35/134162335.db2.gz SDLXXATWAJJINS-NXEZZACHSA-N 1 2 219.275 2.043 20 30 BEEDLO Cn1cccc1C[N@H+](C)CC(C)(C)C#N ZINC000354017582 134166005 /nfs/dbraw/zinc/16/60/05/134166005.db2.gz LIDFEKXXRVOFLC-UHFFFAOYSA-N 1 2 205.305 2.007 20 30 BEEDLO Cn1cccc1C[N@@H+](C)CC(C)(C)C#N ZINC000354017582 134166006 /nfs/dbraw/zinc/16/60/06/134166006.db2.gz LIDFEKXXRVOFLC-UHFFFAOYSA-N 1 2 205.305 2.007 20 30 BEEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090906200 366364767 /nfs/dbraw/zinc/36/47/67/366364767.db2.gz RRGVQEBAZJBXNI-BETUJISGSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090906200 366364774 /nfs/dbraw/zinc/36/47/74/366364774.db2.gz RRGVQEBAZJBXNI-BETUJISGSA-N 1 2 246.285 2.061 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nc(C#N)cs1 ZINC000356097069 134177146 /nfs/dbraw/zinc/17/71/46/134177146.db2.gz ZIDAYGOIKYQOKY-UHFFFAOYSA-N 1 2 221.329 2.413 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nc(C#N)cs1 ZINC000356097069 134177147 /nfs/dbraw/zinc/17/71/47/134177147.db2.gz ZIDAYGOIKYQOKY-UHFFFAOYSA-N 1 2 221.329 2.413 20 30 BEEDLO C=C(CC)C[NH2+][C@@H](C(=O)OC)C(C)(C)C ZINC000389747121 357022737 /nfs/dbraw/zinc/02/27/37/357022737.db2.gz XXLYATBHIIPSRQ-JTQLQIEISA-N 1 2 213.321 2.130 20 30 BEEDLO Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)C#N ZINC000390348883 357090249 /nfs/dbraw/zinc/09/02/49/357090249.db2.gz OSIZADZGINNGPA-JTQLQIEISA-N 1 2 220.320 2.022 20 30 BEEDLO C=C(C)COCCNc1[nH+]cccc1OC ZINC000168798778 357236338 /nfs/dbraw/zinc/23/63/38/357236338.db2.gz PXOGSLYRPIXMIW-UHFFFAOYSA-N 1 2 222.288 2.095 20 30 BEEDLO CC(C)(C#N)CCCC[N@H+](CCO)CC(F)F ZINC000231318006 357612641 /nfs/dbraw/zinc/61/26/41/357612641.db2.gz AOZQGOWENXBKBL-UHFFFAOYSA-N 1 2 248.317 2.266 20 30 BEEDLO CC(C)(C#N)CCCC[N@@H+](CCO)CC(F)F ZINC000231318006 357612646 /nfs/dbraw/zinc/61/26/46/357612646.db2.gz AOZQGOWENXBKBL-UHFFFAOYSA-N 1 2 248.317 2.266 20 30 BEEDLO C=C[C@@H](C)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000362559092 134211520 /nfs/dbraw/zinc/21/15/20/134211520.db2.gz DBSROMFBNXLZLD-SNVBAGLBSA-N 1 2 240.310 2.255 20 30 BEEDLO C=C(C)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121168392 134232126 /nfs/dbraw/zinc/23/21/26/134232126.db2.gz WAZSUWCKNYJVNB-LBPRGKRZSA-N 1 2 207.273 2.229 20 30 BEEDLO C=C(C)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121168392 134232127 /nfs/dbraw/zinc/23/21/27/134232127.db2.gz WAZSUWCKNYJVNB-LBPRGKRZSA-N 1 2 207.273 2.229 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000583793453 357947820 /nfs/dbraw/zinc/94/78/20/357947820.db2.gz AOKWFKGHYLQUGR-MNOVXSKESA-N 1 2 244.298 2.022 20 30 BEEDLO C=CCCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000584569863 358069961 /nfs/dbraw/zinc/06/99/61/358069961.db2.gz CKETXFSAGJIXTD-UHFFFAOYSA-N 1 2 233.315 2.208 20 30 BEEDLO CCOc1ccc(C[N@H+](C)[C@H](C)CC#N)nc1 ZINC000610728954 358129007 /nfs/dbraw/zinc/12/90/07/358129007.db2.gz ZKUKMWAVBIALQG-LLVKDONJSA-N 1 2 233.315 2.214 20 30 BEEDLO CCOc1ccc(C[N@@H+](C)[C@H](C)CC#N)nc1 ZINC000610728954 358129008 /nfs/dbraw/zinc/12/90/08/358129008.db2.gz ZKUKMWAVBIALQG-LLVKDONJSA-N 1 2 233.315 2.214 20 30 BEEDLO Cc1cccn2cc(CN(C)[C@H](C)CC#N)[nH+]c12 ZINC000610728938 358129015 /nfs/dbraw/zinc/12/90/15/358129015.db2.gz PFFQUMVPOCXXAT-GFCCVEGCSA-N 1 2 242.326 2.377 20 30 BEEDLO CN1CCN(CC2(C#N)CCC2)c2ccc[nH+]c21 ZINC000450632767 202218187 /nfs/dbraw/zinc/21/81/87/202218187.db2.gz SJFLEJZRJOWQNU-UHFFFAOYSA-N 1 2 242.326 2.032 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1ccnn1C1CCCC1 ZINC000584819655 358196378 /nfs/dbraw/zinc/19/63/78/358196378.db2.gz GOEHDSGLZQIZCB-NSHDSACASA-N 1 2 232.331 2.247 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450693241 202236772 /nfs/dbraw/zinc/23/67/72/202236772.db2.gz BHOPYEJHPQHYAZ-UHFFFAOYSA-N 1 2 223.345 2.423 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000450693241 202236774 /nfs/dbraw/zinc/23/67/74/202236774.db2.gz BHOPYEJHPQHYAZ-UHFFFAOYSA-N 1 2 223.345 2.423 20 30 BEEDLO CCN(Cc1cn2ccccc2[nH+]1)C[C@@H](C)C#N ZINC000042323726 358521568 /nfs/dbraw/zinc/52/15/68/358521568.db2.gz MHALJNIONHIURJ-LBPRGKRZSA-N 1 2 242.326 2.316 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000042324831 358521683 /nfs/dbraw/zinc/52/16/83/358521683.db2.gz HWZOEKWSQXHSBI-JTQLQIEISA-N 1 2 233.271 2.186 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000042324831 358521686 /nfs/dbraw/zinc/52/16/86/358521686.db2.gz HWZOEKWSQXHSBI-JTQLQIEISA-N 1 2 233.271 2.186 20 30 BEEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)[C@@H](C)CO1 ZINC000246482248 359116585 /nfs/dbraw/zinc/11/65/85/359116585.db2.gz QWZGZZDJROAQQR-QWHCGFSZSA-N 1 2 247.313 2.286 20 30 BEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H](C)CO1 ZINC000246482248 359116592 /nfs/dbraw/zinc/11/65/92/359116592.db2.gz QWZGZZDJROAQQR-QWHCGFSZSA-N 1 2 247.313 2.286 20 30 BEEDLO C#CC[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246663609 359155408 /nfs/dbraw/zinc/15/54/08/359155408.db2.gz JBLYEZPRBYATSJ-RISCZKNCSA-N 1 2 233.286 2.221 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246663609 359155410 /nfs/dbraw/zinc/15/54/10/359155410.db2.gz JBLYEZPRBYATSJ-RISCZKNCSA-N 1 2 233.286 2.221 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@H](C)c1cccc(C)c1)C(=O)OC ZINC000619701966 363632121 /nfs/dbraw/zinc/63/21/21/363632121.db2.gz AWWXZDPGSRAQFZ-GXTWGEPZSA-N 1 2 247.338 2.416 20 30 BEEDLO CC#CC[NH2+][C@H](C)c1c(F)cncc1F ZINC000285736247 359326188 /nfs/dbraw/zinc/32/61/88/359326188.db2.gz QEBRDTZOUBSFKK-MRVPVSSYSA-N 1 2 210.227 2.034 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C[C@@H]1F ZINC000611501352 359383997 /nfs/dbraw/zinc/38/39/97/359383997.db2.gz AZOSAQSITAIOOE-MFKMUULPSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C[C@@H]1F ZINC000611501352 359384000 /nfs/dbraw/zinc/38/40/00/359384000.db2.gz AZOSAQSITAIOOE-MFKMUULPSA-N 1 2 233.290 2.133 20 30 BEEDLO C#CC[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC000274133846 359511867 /nfs/dbraw/zinc/51/18/67/359511867.db2.gz IVGISYYCPBTKDH-UHFFFAOYSA-N 1 2 228.270 2.295 20 30 BEEDLO C#CC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC000274133846 359511870 /nfs/dbraw/zinc/51/18/70/359511870.db2.gz IVGISYYCPBTKDH-UHFFFAOYSA-N 1 2 228.270 2.295 20 30 BEEDLO C[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@H](C)[C@@H](C)O1 ZINC000450823772 202275786 /nfs/dbraw/zinc/27/57/86/202275786.db2.gz DDKRDACWKIJFMG-IJLUTSLNSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@@H]1C[N@@H+](CC2(C#N)CCC2)[C@H](C)[C@@H](C)O1 ZINC000450823772 202275790 /nfs/dbraw/zinc/27/57/90/202275790.db2.gz DDKRDACWKIJFMG-IJLUTSLNSA-N 1 2 222.332 2.178 20 30 BEEDLO C=C(CC)CNc1cc[nH+]c(C2CC2)n1 ZINC000450918198 202307517 /nfs/dbraw/zinc/30/75/17/202307517.db2.gz ZZYSBOHPNWSRGM-UHFFFAOYSA-N 1 2 203.289 2.154 20 30 BEEDLO Cc1noc([C@H](C)[N@H+](C)CCC(C)(C)C#N)n1 ZINC000578374707 366544157 /nfs/dbraw/zinc/54/41/57/366544157.db2.gz JGBOTVJBCOIFQC-VIFPVBQESA-N 1 2 236.319 2.311 20 30 BEEDLO Cc1noc([C@H](C)[N@@H+](C)CCC(C)(C)C#N)n1 ZINC000578374707 366544162 /nfs/dbraw/zinc/54/41/62/366544162.db2.gz JGBOTVJBCOIFQC-VIFPVBQESA-N 1 2 236.319 2.311 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612405609 359832280 /nfs/dbraw/zinc/83/22/80/359832280.db2.gz BFQXRIJEPHKBOB-CYBMUJFWSA-N 1 2 232.331 2.152 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612405609 359832283 /nfs/dbraw/zinc/83/22/83/359832283.db2.gz BFQXRIJEPHKBOB-CYBMUJFWSA-N 1 2 232.331 2.152 20 30 BEEDLO CC(C)[N@H+](Cc1cccc(F)c1C#N)C1COC1 ZINC000451119738 202357061 /nfs/dbraw/zinc/35/70/61/202357061.db2.gz HBAULDIPOLPXOF-UHFFFAOYSA-N 1 2 248.301 2.307 20 30 BEEDLO CC(C)[N@@H+](Cc1cccc(F)c1C#N)C1COC1 ZINC000451119738 202357065 /nfs/dbraw/zinc/35/70/65/202357065.db2.gz HBAULDIPOLPXOF-UHFFFAOYSA-N 1 2 248.301 2.307 20 30 BEEDLO CC[N@H+](CC#Cc1ccc(Cl)cc1)C1COC1 ZINC000451289887 202396870 /nfs/dbraw/zinc/39/68/70/202396870.db2.gz XHXWAPDOFZVHDU-UHFFFAOYSA-N 1 2 249.741 2.412 20 30 BEEDLO CC[N@@H+](CC#Cc1ccc(Cl)cc1)C1COC1 ZINC000451289887 202396873 /nfs/dbraw/zinc/39/68/73/202396873.db2.gz XHXWAPDOFZVHDU-UHFFFAOYSA-N 1 2 249.741 2.412 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000087555898 359918047 /nfs/dbraw/zinc/91/80/47/359918047.db2.gz VFTIATATQDMENF-MRVPVSSYSA-N 1 2 206.211 2.174 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000087555898 359918049 /nfs/dbraw/zinc/91/80/49/359918049.db2.gz VFTIATATQDMENF-MRVPVSSYSA-N 1 2 206.211 2.174 20 30 BEEDLO CCCN(CC#N)Cc1c[nH+]c2c(C)cccn12 ZINC000092398353 360168547 /nfs/dbraw/zinc/16/85/47/360168547.db2.gz BIVAYYNLXKTTGF-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO CCCN(CC#N)Cc1c[nH+]c2cc(C)ccn12 ZINC000092398232 360168614 /nfs/dbraw/zinc/16/86/14/360168614.db2.gz LYOYAIIDWNXSLJ-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO Cc1cccn2c(CN(C)[C@H](C)CC#N)c[nH+]c12 ZINC000093090867 360218233 /nfs/dbraw/zinc/21/82/33/360218233.db2.gz KQSDAERKAGVZHK-GFCCVEGCSA-N 1 2 242.326 2.377 20 30 BEEDLO Cc1cccn2c(CN(C)[C@@H](C)CC#N)c[nH+]c12 ZINC000093090866 360218258 /nfs/dbraw/zinc/21/82/58/360218258.db2.gz KQSDAERKAGVZHK-LBPRGKRZSA-N 1 2 242.326 2.377 20 30 BEEDLO Cc1ccc(O)c(C[N@H+](CCC#N)CC2CC2)n1 ZINC000093091306 360218843 /nfs/dbraw/zinc/21/88/43/360218843.db2.gz CWCCSIFYKDEFOH-UHFFFAOYSA-N 1 2 245.326 2.221 20 30 BEEDLO Cc1ccc(O)c(C[N@@H+](CCC#N)CC2CC2)n1 ZINC000093091306 360218847 /nfs/dbraw/zinc/21/88/47/360218847.db2.gz CWCCSIFYKDEFOH-UHFFFAOYSA-N 1 2 245.326 2.221 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093091083 360218879 /nfs/dbraw/zinc/21/88/79/360218879.db2.gz DEZDHOBJWFHSTK-SECBINFHSA-N 1 2 219.313 2.354 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093091083 360218881 /nfs/dbraw/zinc/21/88/81/360218881.db2.gz DEZDHOBJWFHSTK-SECBINFHSA-N 1 2 219.313 2.354 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)C(=O)OC ZINC000300768428 360469991 /nfs/dbraw/zinc/46/99/91/360469991.db2.gz AHLMAIZNYHNSDO-WISYIIOYSA-N 1 2 225.332 2.128 20 30 BEEDLO CC[C@H]1COCC[N@@H+]1Cc1ccccc1C#N ZINC000036326350 360905104 /nfs/dbraw/zinc/90/51/04/360905104.db2.gz MPCSSOFDRRFJAY-AWEZNQCLSA-N 1 2 230.311 2.169 20 30 BEEDLO CC[C@H]1COCC[N@H+]1Cc1ccccc1C#N ZINC000036326350 360905111 /nfs/dbraw/zinc/90/51/11/360905111.db2.gz MPCSSOFDRRFJAY-AWEZNQCLSA-N 1 2 230.311 2.169 20 30 BEEDLO C=CC[C@@H](CO)Nc1cc(CCCC)[nH+]cn1 ZINC000631205786 360985091 /nfs/dbraw/zinc/98/50/91/360985091.db2.gz GOABNHGLXISEHU-LBPRGKRZSA-N 1 2 235.331 2.168 20 30 BEEDLO Cc1cccc2[nH+]c(CN(C)C[C@H](C)C#N)cn21 ZINC000066471107 361290941 /nfs/dbraw/zinc/29/09/41/361290941.db2.gz NVELDLSDPLMDGW-LLVKDONJSA-N 1 2 242.326 2.234 20 30 BEEDLO CC#CCC[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428939166 201049238 /nfs/dbraw/zinc/04/92/38/201049238.db2.gz LUZGTPMLSVXBKD-SNVBAGLBSA-N 1 2 249.276 2.442 20 30 BEEDLO CC#CCC[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428939166 201049240 /nfs/dbraw/zinc/04/92/40/201049240.db2.gz LUZGTPMLSVXBKD-SNVBAGLBSA-N 1 2 249.276 2.442 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H]1CCC(C)(C)O1 ZINC000428843094 201044637 /nfs/dbraw/zinc/04/46/37/201044637.db2.gz UWFUMAHADPLKLG-GFCCVEGCSA-N 1 2 222.332 2.346 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H]1CCC(C)(C)O1 ZINC000428843094 201044640 /nfs/dbraw/zinc/04/46/40/201044640.db2.gz UWFUMAHADPLKLG-GFCCVEGCSA-N 1 2 222.332 2.346 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)CCC(C)C ZINC000428864970 201044789 /nfs/dbraw/zinc/04/47/89/201044789.db2.gz AZXYCRURWDZVJK-ZDUSSCGKSA-N 1 2 224.348 2.185 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)CCC(C)C ZINC000428864970 201044790 /nfs/dbraw/zinc/04/47/90/201044790.db2.gz AZXYCRURWDZVJK-ZDUSSCGKSA-N 1 2 224.348 2.185 20 30 BEEDLO Cc1cnc([C@H](C)[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000428991948 201056627 /nfs/dbraw/zinc/05/66/27/201056627.db2.gz KUVMEDNCIKTZMZ-NSHDSACASA-N 1 2 248.305 2.174 20 30 BEEDLO C[C@H](c1cnccn1)[N@H+](C)CC(C)(C)C#N ZINC000433315174 201179974 /nfs/dbraw/zinc/17/99/74/201179974.db2.gz DCCHBGGHGJOYDO-SNVBAGLBSA-N 1 2 218.304 2.019 20 30 BEEDLO C[C@H](c1cnccn1)[N@@H+](C)CC(C)(C)C#N ZINC000433315174 201179977 /nfs/dbraw/zinc/17/99/77/201179977.db2.gz DCCHBGGHGJOYDO-SNVBAGLBSA-N 1 2 218.304 2.019 20 30 BEEDLO CC(C)n1cc[nH+]c1CN(C)CC(C)(C)C#N ZINC000433313615 201180536 /nfs/dbraw/zinc/18/05/36/201180536.db2.gz REGDQTHNRGKUCF-UHFFFAOYSA-N 1 2 234.347 2.446 20 30 BEEDLO Cc1cnc([C@H](C)[N@H+](C)CC(C)(C)C#N)cn1 ZINC000433294077 201176369 /nfs/dbraw/zinc/17/63/69/201176369.db2.gz JORJJMKXGPRQEH-NSHDSACASA-N 1 2 232.331 2.328 20 30 BEEDLO Cc1cnc([C@H](C)[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000433294077 201176372 /nfs/dbraw/zinc/17/63/72/201176372.db2.gz JORJJMKXGPRQEH-NSHDSACASA-N 1 2 232.331 2.328 20 30 BEEDLO Cc1ncc([C@@H](C)[N@@H+](C)C[C@@H](C)C#N)c(C)n1 ZINC000614530689 363836204 /nfs/dbraw/zinc/83/62/04/363836204.db2.gz VRSWIWBKLRGFLA-GXSJLCMTSA-N 1 2 232.331 2.246 20 30 BEEDLO Cc1ncc([C@@H](C)[N@H+](C)C[C@@H](C)C#N)c(C)n1 ZINC000614530689 363836206 /nfs/dbraw/zinc/83/62/06/363836206.db2.gz VRSWIWBKLRGFLA-GXSJLCMTSA-N 1 2 232.331 2.246 20 30 BEEDLO Cc1ncc([C@@H](C)[N@@H+](C)C[C@H](C)C#N)c(C)n1 ZINC000614530695 363836493 /nfs/dbraw/zinc/83/64/93/363836493.db2.gz VRSWIWBKLRGFLA-MWLCHTKSSA-N 1 2 232.331 2.246 20 30 BEEDLO Cc1ncc([C@@H](C)[N@H+](C)C[C@H](C)C#N)c(C)n1 ZINC000614530695 363836498 /nfs/dbraw/zinc/83/64/98/363836498.db2.gz VRSWIWBKLRGFLA-MWLCHTKSSA-N 1 2 232.331 2.246 20 30 BEEDLO CC1(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000329580291 541349301 /nfs/dbraw/zinc/34/93/01/541349301.db2.gz WWLALWIFMQGLKW-UHFFFAOYSA-N 1 2 207.277 2.099 20 30 BEEDLO CC1(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000329580291 541349305 /nfs/dbraw/zinc/34/93/05/541349305.db2.gz WWLALWIFMQGLKW-UHFFFAOYSA-N 1 2 207.277 2.099 20 30 BEEDLO N#Cc1csc(CNc2cccc(CO)[nH+]2)c1 ZINC000432738878 192953998 /nfs/dbraw/zinc/95/39/98/192953998.db2.gz NOZNVIPVWVNVHF-UHFFFAOYSA-N 1 2 245.307 2.119 20 30 BEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCC(C)(C)C2)nn1 ZINC000630604439 364328625 /nfs/dbraw/zinc/32/86/25/364328625.db2.gz SAHINJGMDWFLQJ-ZDUSSCGKSA-N 1 2 246.358 2.142 20 30 BEEDLO N#CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000133843922 364372422 /nfs/dbraw/zinc/37/24/22/364372422.db2.gz UORJHCJTJPSSRV-STQMWFEESA-N 1 2 200.285 2.436 20 30 BEEDLO Cc1ccc(CCNc2cc(C)[nH+]cc2C#N)o1 ZINC000573598795 364871127 /nfs/dbraw/zinc/87/11/27/364871127.db2.gz IMAOTISMTRSVKJ-UHFFFAOYSA-N 1 2 241.294 2.240 20 30 BEEDLO CCN(CC)[C@@H](C[NH2+]CCC#N)c1ccco1 ZINC000573914320 364944184 /nfs/dbraw/zinc/94/41/84/364944184.db2.gz ZZJFGDINNXETHB-LBPRGKRZSA-N 1 2 235.331 2.166 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(O)cc1 ZINC000068611745 370821195 /nfs/dbraw/zinc/82/11/95/370821195.db2.gz LTPVOGDHIKUCDP-SNVBAGLBSA-N 1 2 204.273 2.126 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(O)cc1 ZINC000068611745 370821198 /nfs/dbraw/zinc/82/11/98/370821198.db2.gz LTPVOGDHIKUCDP-SNVBAGLBSA-N 1 2 204.273 2.126 20 30 BEEDLO Cc1cccc2nc(C[NH2+][C@@H](C)CC#N)cn21 ZINC000069037599 370876900 /nfs/dbraw/zinc/87/69/00/370876900.db2.gz YZWWDZLOLIHWQD-JTQLQIEISA-N 1 2 228.299 2.035 20 30 BEEDLO Cc1cccc2[nH+]c(CN[C@@H](C)CC#N)cn21 ZINC000069037599 370876905 /nfs/dbraw/zinc/87/69/05/370876905.db2.gz YZWWDZLOLIHWQD-JTQLQIEISA-N 1 2 228.299 2.035 20 30 BEEDLO C=CC[N@@H+](Cc1nccn1C(F)F)C1CC1 ZINC000046066932 368435830 /nfs/dbraw/zinc/43/58/30/368435830.db2.gz SEBLJQNVSCKFSP-UHFFFAOYSA-N 1 2 227.258 2.429 20 30 BEEDLO C=CC[N@H+](Cc1nccn1C(F)F)C1CC1 ZINC000046066932 368435837 /nfs/dbraw/zinc/43/58/37/368435837.db2.gz SEBLJQNVSCKFSP-UHFFFAOYSA-N 1 2 227.258 2.429 20 30 BEEDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459484143 203288996 /nfs/dbraw/zinc/28/89/96/203288996.db2.gz GHLKSMMQMLGYML-VHSXEESVSA-N 1 2 245.282 2.307 20 30 BEEDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459484143 203289000 /nfs/dbraw/zinc/28/90/00/203289000.db2.gz GHLKSMMQMLGYML-VHSXEESVSA-N 1 2 245.282 2.307 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1C ZINC000459484140 203289755 /nfs/dbraw/zinc/28/97/55/203289755.db2.gz GHLKSMMQMLGYML-NXEZZACHSA-N 1 2 245.282 2.307 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1C ZINC000459484140 203289759 /nfs/dbraw/zinc/28/97/59/203289759.db2.gz GHLKSMMQMLGYML-NXEZZACHSA-N 1 2 245.282 2.307 20 30 BEEDLO N#CCC[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000567696055 326246978 /nfs/dbraw/zinc/24/69/78/326246978.db2.gz OVSCJNMRTIIVEY-UHFFFAOYSA-N 1 2 229.205 2.104 20 30 BEEDLO Cc1ccc(CCCN2CC(C)(C#N)C2)c[nH+]1 ZINC000459598791 203312367 /nfs/dbraw/zinc/31/23/67/203312367.db2.gz WIMVLBWAWQDHIM-UHFFFAOYSA-N 1 2 229.327 2.168 20 30 BEEDLO CC(C)(CCC#N)C[NH+]1CC(OC(F)F)C1 ZINC000459624368 203322690 /nfs/dbraw/zinc/32/26/90/203322690.db2.gz GVQMYVOTDVPKPA-UHFFFAOYSA-N 1 2 232.274 2.240 20 30 BEEDLO Cc1cc(N(C)Cc2ccns2)c(C#N)c[nH+]1 ZINC000404463436 369429319 /nfs/dbraw/zinc/42/93/19/369429319.db2.gz QMSTWTUOUISEAW-UHFFFAOYSA-N 1 2 244.323 2.355 20 30 BEEDLO Cc1ccc(NC(=O)NCC2(C#N)CC2)c(C)[nH+]1 ZINC000619537705 369466408 /nfs/dbraw/zinc/46/64/08/369466408.db2.gz ILPWPZSDZQEOMJ-UHFFFAOYSA-N 1 2 244.298 2.124 20 30 BEEDLO Cc1c[nH]c(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000600109268 369506980 /nfs/dbraw/zinc/50/69/80/369506980.db2.gz IMSGGFFUWZIBQC-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1c[nH]c(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000600109268 369506987 /nfs/dbraw/zinc/50/69/87/369506987.db2.gz IMSGGFFUWZIBQC-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000260036607 370966787 /nfs/dbraw/zinc/96/67/87/370966787.db2.gz OUHNVVSXSHLXRD-WDEREUQCSA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000260036607 370966792 /nfs/dbraw/zinc/96/67/92/370966792.db2.gz OUHNVVSXSHLXRD-WDEREUQCSA-N 1 2 203.289 2.234 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C(=O)OC ZINC000619701519 369534462 /nfs/dbraw/zinc/53/44/62/369534462.db2.gz LVYLDWFPERIVIJ-GXTWGEPZSA-N 1 2 245.322 2.034 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)OC ZINC000619704284 369536622 /nfs/dbraw/zinc/53/66/22/369536622.db2.gz APYFBSPAPYALMF-VOAKCMCISA-N 1 2 239.359 2.376 20 30 BEEDLO C=C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)C(=O)OC ZINC000619704487 369536875 /nfs/dbraw/zinc/53/68/75/369536875.db2.gz NNFFFUAJPUHWRS-YNEHKIRRSA-N 1 2 237.343 2.272 20 30 BEEDLO CC[C@]1(O)CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000601232681 369612424 /nfs/dbraw/zinc/61/24/24/369612424.db2.gz FWAQFUADKMCEOZ-AWEZNQCLSA-N 1 2 245.326 2.003 20 30 BEEDLO COCC1(C)C[NH+](Cc2cccc(F)c2C#N)C1 ZINC000602689066 369841391 /nfs/dbraw/zinc/84/13/91/369841391.db2.gz QCGGIEFMVCYIFB-UHFFFAOYSA-N 1 2 248.301 2.166 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C#N)ccc1F ZINC000568180739 326321544 /nfs/dbraw/zinc/32/15/44/326321544.db2.gz AXADXTDRLVPJHW-GFCCVEGCSA-N 1 2 231.274 2.479 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cc(C#N)ccc1F ZINC000309741978 370252422 /nfs/dbraw/zinc/25/24/22/370252422.db2.gz HYSNDOOLUDJBSC-VIFPVBQESA-N 1 2 217.247 2.089 20 30 BEEDLO C=C(C)CN(C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000621459741 370363528 /nfs/dbraw/zinc/36/35/28/370363528.db2.gz NDXLLIUTFWAPBX-GHMZBOCLSA-N 1 2 248.330 2.106 20 30 BEEDLO C[N@@H+](Cc1ccco1)C[C@H](C#N)CCC#N ZINC000078316020 370549425 /nfs/dbraw/zinc/54/94/25/370549425.db2.gz HERXKLJRGQZAMR-NSHDSACASA-N 1 2 217.272 2.155 20 30 BEEDLO C[N@H+](Cc1ccco1)C[C@H](C#N)CCC#N ZINC000078316020 370549430 /nfs/dbraw/zinc/54/94/30/370549430.db2.gz HERXKLJRGQZAMR-NSHDSACASA-N 1 2 217.272 2.155 20 30 BEEDLO C=CCCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621876297 370575701 /nfs/dbraw/zinc/57/57/01/370575701.db2.gz SJKJYBREMJDZTE-UHFFFAOYSA-N 1 2 235.331 2.112 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1cccc(C)c1 ZINC000304235403 371769955 /nfs/dbraw/zinc/76/99/55/371769955.db2.gz VFQVPAVVZQRVRS-CYBMUJFWSA-N 1 2 233.311 2.154 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1cccc(C)c1 ZINC000304235403 371769963 /nfs/dbraw/zinc/76/99/63/371769963.db2.gz VFQVPAVVZQRVRS-CYBMUJFWSA-N 1 2 233.311 2.154 20 30 BEEDLO C=C1CC(C)(C(=O)N[C@@H](C)c2[nH+]ccn2CC)C1 ZINC000633291401 373454356 /nfs/dbraw/zinc/45/43/56/373454356.db2.gz ZWJFXKWQYNENIB-NSHDSACASA-N 1 2 247.342 2.437 20 30 BEEDLO CCc1[nH]c(CNc2snc(C)c2C#N)c[nH+]1 ZINC001643237517 1172451087 /nfs/dbraw/zinc/45/10/87/1172451087.db2.gz NHWHHQMTMYDSCV-UHFFFAOYSA-N 1 2 247.327 2.221 20 30 BEEDLO CCc1[nH]cc(CNc2snc(C)c2C#N)[nH+]1 ZINC001643237517 1172451091 /nfs/dbraw/zinc/45/10/91/1172451091.db2.gz NHWHHQMTMYDSCV-UHFFFAOYSA-N 1 2 247.327 2.221 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(OC)ccc1Cl ZINC000192224113 259584251 /nfs/dbraw/zinc/58/42/51/259584251.db2.gz UHSNXHXRKZBRNR-UHFFFAOYSA-N 1 2 223.703 2.414 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(OC)ccc1Cl ZINC000192224113 259584252 /nfs/dbraw/zinc/58/42/52/259584252.db2.gz UHSNXHXRKZBRNR-UHFFFAOYSA-N 1 2 223.703 2.414 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1C#N ZINC000087829079 383871284 /nfs/dbraw/zinc/87/12/84/383871284.db2.gz FEWMPHYSWKPUCF-NSHDSACASA-N 1 2 243.310 2.301 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1C#N ZINC000087829079 383871288 /nfs/dbraw/zinc/87/12/88/383871288.db2.gz FEWMPHYSWKPUCF-NSHDSACASA-N 1 2 243.310 2.301 20 30 BEEDLO Cc1c[nH+]ccc1CCNc1cccc(C#N)n1 ZINC000339056877 383894494 /nfs/dbraw/zinc/89/44/94/383894494.db2.gz ODROVMRESJEJSN-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO C#CC[N@H+](Cc1ccccc1)[C@H](CC)C(=O)OC ZINC000298594959 383945661 /nfs/dbraw/zinc/94/56/61/383945661.db2.gz RYZZNYNCNKIURS-CQSZACIVSA-N 1 2 245.322 2.073 20 30 BEEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](CC)C(=O)OC ZINC000298594959 383945668 /nfs/dbraw/zinc/94/56/68/383945668.db2.gz RYZZNYNCNKIURS-CQSZACIVSA-N 1 2 245.322 2.073 20 30 BEEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000334788270 383953857 /nfs/dbraw/zinc/95/38/57/383953857.db2.gz VEJJVAYLTBTBMT-STQMWFEESA-N 1 2 248.326 2.387 20 30 BEEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000334788270 383953863 /nfs/dbraw/zinc/95/38/63/383953863.db2.gz VEJJVAYLTBTBMT-STQMWFEESA-N 1 2 248.326 2.387 20 30 BEEDLO Cc1cc(C[N@@H+]2CCO[C@@H](CF)C2)ccc1C#N ZINC000334830971 383962346 /nfs/dbraw/zinc/96/23/46/383962346.db2.gz VHUMDEKXKFUTRX-AWEZNQCLSA-N 1 2 248.301 2.037 20 30 BEEDLO Cc1cc(C[N@H+]2CCO[C@@H](CF)C2)ccc1C#N ZINC000334830971 383962352 /nfs/dbraw/zinc/96/23/52/383962352.db2.gz VHUMDEKXKFUTRX-AWEZNQCLSA-N 1 2 248.301 2.037 20 30 BEEDLO CCOC(=O)C[C@H](C)C/[NH+]=C/c1ccccc1O ZINC000089574603 383976743 /nfs/dbraw/zinc/97/67/43/383976743.db2.gz FMICLRXHJHDGIW-KBVGCWLLSA-N 1 2 249.310 2.400 20 30 BEEDLO C=CCOCCCSc1nc(N)cc(C)[nH+]1 ZINC000309241524 134386385 /nfs/dbraw/zinc/38/63/85/134386385.db2.gz AUCBGGRUJZGDIR-UHFFFAOYSA-N 1 2 239.344 2.052 20 30 BEEDLO C#CCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000367007039 533048855 /nfs/dbraw/zinc/04/88/55/533048855.db2.gz LNPUSKPBFOSOAD-GFCCVEGCSA-N 1 2 245.326 2.497 20 30 BEEDLO C#CCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000367007039 533048858 /nfs/dbraw/zinc/04/88/58/533048858.db2.gz LNPUSKPBFOSOAD-GFCCVEGCSA-N 1 2 245.326 2.497 20 30 BEEDLO C#C[C@@H](CC)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000309714268 384210860 /nfs/dbraw/zinc/21/08/60/384210860.db2.gz SARSFLYDUNUZLN-VIFPVBQESA-N 1 2 214.272 2.090 20 30 BEEDLO CC[C@@H](CC#N)NC(=O)Nc1cc[nH+]cc1C ZINC000158607398 384263609 /nfs/dbraw/zinc/26/36/09/384263609.db2.gz KYBCZDGAKFNTPL-JTQLQIEISA-N 1 2 232.287 2.204 20 30 BEEDLO CC[C@H](CC#N)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000158603634 384266012 /nfs/dbraw/zinc/26/60/12/384266012.db2.gz SGJUCIWIRXCSKU-SNVBAGLBSA-N 1 2 232.287 2.204 20 30 BEEDLO C[C@@H]1OCC[N@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC000126546565 384267313 /nfs/dbraw/zinc/26/73/13/384267313.db2.gz QUGXMUVHHJILMI-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1OCC[N@@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC000126546565 384267316 /nfs/dbraw/zinc/26/73/16/384267316.db2.gz QUGXMUVHHJILMI-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO CC[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000335510946 384295076 /nfs/dbraw/zinc/29/50/76/384295076.db2.gz NVPSTCAKYCRLOL-LLVKDONJSA-N 1 2 215.300 2.498 20 30 BEEDLO CCC1(C)CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000335514650 384296093 /nfs/dbraw/zinc/29/60/93/384296093.db2.gz VSCZQGSRLUISNB-UHFFFAOYSA-N 1 2 215.300 2.498 20 30 BEEDLO Cc1cc(N2C[C@@H]3CCC[C@H]3C2)c(C#N)c[nH+]1 ZINC000335514707 384296865 /nfs/dbraw/zinc/29/68/65/384296865.db2.gz XPRXENYLMFJOOF-RYUDHWBXSA-N 1 2 227.311 2.498 20 30 BEEDLO N#CCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000044411844 384329491 /nfs/dbraw/zinc/32/94/91/384329491.db2.gz PFLYBEYJWULHSO-UHFFFAOYSA-N 1 2 225.295 2.436 20 30 BEEDLO N#CCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000044411844 384329497 /nfs/dbraw/zinc/32/94/97/384329497.db2.gz PFLYBEYJWULHSO-UHFFFAOYSA-N 1 2 225.295 2.436 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159674241 384467669 /nfs/dbraw/zinc/46/76/69/384467669.db2.gz MJOPJWYEDXRSQB-INIZCTEOSA-N 1 2 241.334 2.184 20 30 BEEDLO CC#CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159674241 384467677 /nfs/dbraw/zinc/46/76/77/384467677.db2.gz MJOPJWYEDXRSQB-INIZCTEOSA-N 1 2 241.334 2.184 20 30 BEEDLO C#Cc1cccc(N(CC)Cc2[nH+]ccn2C)c1 ZINC000103145698 384538217 /nfs/dbraw/zinc/53/82/17/384538217.db2.gz WQIZFZPVNAUTPZ-UHFFFAOYSA-N 1 2 239.322 2.428 20 30 BEEDLO C#C[C@@H](C)N(C)c1cc[nH+]c2ccncc21 ZINC000491766855 384606025 /nfs/dbraw/zinc/60/60/25/384606025.db2.gz HVDLMDJOWNYSOI-SNVBAGLBSA-N 1 2 211.268 2.088 20 30 BEEDLO C=C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000362617226 384740567 /nfs/dbraw/zinc/74/05/67/384740567.db2.gz ZVRLVAYJFVCHEM-NSHDSACASA-N 1 2 241.294 2.177 20 30 BEEDLO CC[NH+](CC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000176990558 384837205 /nfs/dbraw/zinc/83/72/05/384837205.db2.gz BKSZJDACCZRXJK-CYBMUJFWSA-N 1 2 246.310 2.114 20 30 BEEDLO CCOc1cccc(C[NH2+][C@@H](CC)CC#N)n1 ZINC000358294402 384903068 /nfs/dbraw/zinc/90/30/68/384903068.db2.gz YHODEYVGFHUMQM-NSHDSACASA-N 1 2 233.315 2.262 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000156910518 385017844 /nfs/dbraw/zinc/01/78/44/385017844.db2.gz PMXMYVLQYLKUEW-GFCCVEGCSA-N 1 2 230.286 2.411 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000156910518 385017854 /nfs/dbraw/zinc/01/78/54/385017854.db2.gz PMXMYVLQYLKUEW-GFCCVEGCSA-N 1 2 230.286 2.411 20 30 BEEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccco1 ZINC000177577215 385256376 /nfs/dbraw/zinc/25/63/76/385256376.db2.gz OWWAICXQUBAPDY-GFCCVEGCSA-N 1 2 246.266 2.222 20 30 BEEDLO C#CC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000491325816 385351743 /nfs/dbraw/zinc/35/17/43/385351743.db2.gz HFYNUMBPRZTCCK-GFCCVEGCSA-N 1 2 201.269 2.440 20 30 BEEDLO C#CC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000491325816 385351749 /nfs/dbraw/zinc/35/17/49/385351749.db2.gz HFYNUMBPRZTCCK-GFCCVEGCSA-N 1 2 201.269 2.440 20 30 BEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cccc[nH+]1 ZINC000280772878 385370081 /nfs/dbraw/zinc/37/00/81/385370081.db2.gz ORJCKENGLCHJCL-DGCLKSJQSA-N 1 2 218.300 2.475 20 30 BEEDLO C=C(CC)C[NH2+]C(CC)(CC)C(=O)OC ZINC000309119527 385424202 /nfs/dbraw/zinc/42/42/02/385424202.db2.gz NBBZOBUEPIAVKC-UHFFFAOYSA-N 1 2 213.321 2.274 20 30 BEEDLO Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)c[nH+]1 ZINC000309098788 385408805 /nfs/dbraw/zinc/40/88/05/385408805.db2.gz FWWYZBRHZVOOBW-GHMZBOCLSA-N 1 2 201.273 2.494 20 30 BEEDLO Cc1c[nH+]cc(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000309209905 385480385 /nfs/dbraw/zinc/48/03/85/385480385.db2.gz SPOQGMMEEBZEMH-WDEREUQCSA-N 1 2 201.273 2.494 20 30 BEEDLO CC#CC[N@H+](C)Cc1noc2c1CCCC2 ZINC000645262163 385668206 /nfs/dbraw/zinc/66/82/06/385668206.db2.gz OIOMHUXHPAAAEG-UHFFFAOYSA-N 1 2 218.300 2.009 20 30 BEEDLO CC#CC[N@@H+](C)Cc1noc2c1CCCC2 ZINC000645262163 385668207 /nfs/dbraw/zinc/66/82/07/385668207.db2.gz OIOMHUXHPAAAEG-UHFFFAOYSA-N 1 2 218.300 2.009 20 30 BEEDLO C=CCC(CC=C)c1nc(C[NH2+]C)no1 ZINC000309623777 385749026 /nfs/dbraw/zinc/74/90/26/385749026.db2.gz IHRFIPGXQFJDJN-UHFFFAOYSA-N 1 2 207.277 2.025 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000491740341 385753585 /nfs/dbraw/zinc/75/35/85/385753585.db2.gz YFFJYBCVZUCEIB-GFCCVEGCSA-N 1 2 231.343 2.452 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000491740341 385753587 /nfs/dbraw/zinc/75/35/87/385753587.db2.gz YFFJYBCVZUCEIB-GFCCVEGCSA-N 1 2 231.343 2.452 20 30 BEEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644836653 385844230 /nfs/dbraw/zinc/84/42/30/385844230.db2.gz BHQOKVBPSAPLAP-CABCVRRESA-N 1 2 245.322 2.225 20 30 BEEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644836653 385844235 /nfs/dbraw/zinc/84/42/35/385844235.db2.gz BHQOKVBPSAPLAP-CABCVRRESA-N 1 2 245.322 2.225 20 30 BEEDLO CC[N@@H+](CC#N)CCCc1ccccc1OC ZINC000272615706 385918200 /nfs/dbraw/zinc/91/82/00/385918200.db2.gz SISTZESDIFGACV-UHFFFAOYSA-N 1 2 232.327 2.473 20 30 BEEDLO CC[N@H+](CC#N)CCCc1ccccc1OC ZINC000272615706 385918204 /nfs/dbraw/zinc/91/82/04/385918204.db2.gz SISTZESDIFGACV-UHFFFAOYSA-N 1 2 232.327 2.473 20 30 BEEDLO C=CCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000335058231 385958858 /nfs/dbraw/zinc/95/88/58/385958858.db2.gz UAEHWANQTFGVQW-KBPBESRZSA-N 1 2 234.343 2.490 20 30 BEEDLO C=CCC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000335058231 385958863 /nfs/dbraw/zinc/95/88/63/385958863.db2.gz UAEHWANQTFGVQW-KBPBESRZSA-N 1 2 234.343 2.490 20 30 BEEDLO CCCCCSC[C@@H](O)C[N@H+](C)CCC#N ZINC000414154350 386004438 /nfs/dbraw/zinc/00/44/38/386004438.db2.gz TUFJPUSTNCRELA-LBPRGKRZSA-N 1 2 244.404 2.116 20 30 BEEDLO CCCCCSC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414154350 386004444 /nfs/dbraw/zinc/00/44/44/386004444.db2.gz TUFJPUSTNCRELA-LBPRGKRZSA-N 1 2 244.404 2.116 20 30 BEEDLO CC[C@H](C)[C@H]([NH2+]CCC(C)(C)C#N)C(=O)OC ZINC000347188017 386254265 /nfs/dbraw/zinc/25/42/65/386254265.db2.gz DUEZMHATFBPBGR-QWRGUYRKSA-N 1 2 240.347 2.104 20 30 BEEDLO CC[C@@H](C)[C@@H]([NH2+]CCC(C)(C)C#N)C(=O)OC ZINC000347188015 386254276 /nfs/dbraw/zinc/25/42/76/386254276.db2.gz DUEZMHATFBPBGR-GHMZBOCLSA-N 1 2 240.347 2.104 20 30 BEEDLO CC#CC[N@H+]1CCCC[C@H]1c1nccn1CC ZINC000280941452 386361776 /nfs/dbraw/zinc/36/17/76/386361776.db2.gz HVWMCHQEBRFUOU-ZDUSSCGKSA-N 1 2 231.343 2.453 20 30 BEEDLO CC#CC[N@@H+]1CCCC[C@H]1c1nccn1CC ZINC000280941452 386361781 /nfs/dbraw/zinc/36/17/81/386361781.db2.gz HVWMCHQEBRFUOU-ZDUSSCGKSA-N 1 2 231.343 2.453 20 30 BEEDLO Cc1cc(C[NH2+]Cc2ccc(CC#N)cc2)no1 ZINC000399112596 386416133 /nfs/dbraw/zinc/41/61/33/386416133.db2.gz ZOKFLQPEHNSIAY-UHFFFAOYSA-N 1 2 241.294 2.339 20 30 BEEDLO C=C(C)CCNc1cc(C)[nH+]cc1C#N ZINC000399372693 386531569 /nfs/dbraw/zinc/53/15/69/386531569.db2.gz AFQKDYNDZWMNSR-UHFFFAOYSA-N 1 2 201.273 2.062 20 30 BEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[C@@H]1C1CC1 ZINC000328910302 386651598 /nfs/dbraw/zinc/65/15/98/386651598.db2.gz FMTJKHALWSYRTL-MXWKQRLJSA-N 1 2 245.326 2.270 20 30 BEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[C@@H]1C1CC1 ZINC000328910302 386651603 /nfs/dbraw/zinc/65/16/03/386651603.db2.gz FMTJKHALWSYRTL-MXWKQRLJSA-N 1 2 245.326 2.270 20 30 BEEDLO C=CCCOCC(=O)Nc1c(C)cc[nH+]c1C ZINC000644972808 386651884 /nfs/dbraw/zinc/65/18/84/386651884.db2.gz IHFSJFJOAHCOAD-UHFFFAOYSA-N 1 2 234.299 2.230 20 30 BEEDLO CCN(CCC#N)Cc1c[nH+]cn1C(C)C ZINC000425328881 386662388 /nfs/dbraw/zinc/66/23/88/386662388.db2.gz SNAOTAAIVDUMKO-UHFFFAOYSA-N 1 2 220.320 2.200 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000343248060 386658359 /nfs/dbraw/zinc/65/83/59/386658359.db2.gz KOVOHIJTIRWLNC-LBPRGKRZSA-N 1 2 235.331 2.134 20 30 BEEDLO CCn1c[nH+]cc1CN(C[C@@H](C)C#N)C1CC1 ZINC000417778758 386713763 /nfs/dbraw/zinc/71/37/63/386713763.db2.gz GFDDTMPOMIGRJZ-NSHDSACASA-N 1 2 232.331 2.027 20 30 BEEDLO Cc1[nH]c(C(=O)NC[C@H](C)C(C)C)c[nH+]1 ZINC000330465083 386722076 /nfs/dbraw/zinc/72/20/76/386722076.db2.gz VNENJMRPTFGFKH-QMMMGPOBSA-N 1 2 209.293 2.315 20 30 BEEDLO C#CC[N@@H+](Cc1cn[nH]c1C)C1CCCC1 ZINC000093819857 386848679 /nfs/dbraw/zinc/84/86/79/386848679.db2.gz JAFRABBJKFFIIS-UHFFFAOYSA-N 1 2 217.316 2.096 20 30 BEEDLO C#CC[N@H+](Cc1cn[nH]c1C)C1CCCC1 ZINC000093819857 386848685 /nfs/dbraw/zinc/84/86/85/386848685.db2.gz JAFRABBJKFFIIS-UHFFFAOYSA-N 1 2 217.316 2.096 20 30 BEEDLO C[C@H](CCCC#N)[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001172491573 974837360 /nfs/dbraw/zinc/83/73/60/974837360.db2.gz FHSGQGRVIJUUAO-GHMZBOCLSA-N 1 2 226.295 2.072 20 30 BEEDLO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001172491573 974837362 /nfs/dbraw/zinc/83/73/62/974837362.db2.gz FHSGQGRVIJUUAO-GHMZBOCLSA-N 1 2 226.295 2.072 20 30 BEEDLO CCCC(C)(C)NC(=O)NCc1[nH+]ccn1C ZINC000330793348 386890610 /nfs/dbraw/zinc/89/06/10/386890610.db2.gz FBXQRLJQAPWIOA-UHFFFAOYSA-N 1 2 238.335 2.002 20 30 BEEDLO CO[C@]1(C)CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399502884 386912084 /nfs/dbraw/zinc/91/20/84/386912084.db2.gz JEQPGFDPMZLIFX-CQSZACIVSA-N 1 2 245.326 2.267 20 30 BEEDLO CC#CCCCC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456423810 386932274 /nfs/dbraw/zinc/93/22/74/386932274.db2.gz PEXKUWHUBQSYCR-RYUDHWBXSA-N 1 2 245.326 2.199 20 30 BEEDLO CCC(CC)(CNc1cc(C)[nH+]cc1C#N)OC ZINC000399415349 387059787 /nfs/dbraw/zinc/05/97/87/387059787.db2.gz CIVIEDRVVBCYQA-UHFFFAOYSA-N 1 2 247.342 2.301 20 30 BEEDLO CO[C@H]1CN(c2cc(C)[nH+]cc2C#N)CC[C@@H]1C ZINC000399423748 387091226 /nfs/dbraw/zinc/09/12/26/387091226.db2.gz CFNDWPINAYAHKO-HZMBPMFUSA-N 1 2 245.326 2.123 20 30 BEEDLO COc1c(O)cccc1C[NH2+]CC1(C#N)CCC1 ZINC000418145918 387170583 /nfs/dbraw/zinc/17/05/83/387170583.db2.gz ZLRMDAPPXUWCJS-UHFFFAOYSA-N 1 2 246.310 2.184 20 30 BEEDLO Cc1c[nH+]c(C)nc1NCC(C)(C)CCC#N ZINC000514949472 387311411 /nfs/dbraw/zinc/31/14/11/387311411.db2.gz DFCORUQNYOAPDD-UHFFFAOYSA-N 1 2 232.331 2.257 20 30 BEEDLO Cc1cnccc1C[N@@H+](C)CC(C)(C)C#N ZINC000515036428 387325144 /nfs/dbraw/zinc/32/51/44/387325144.db2.gz FBCBSBMSTGHJIL-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO Cc1cnccc1C[N@H+](C)CC(C)(C)C#N ZINC000515036428 387325149 /nfs/dbraw/zinc/32/51/49/387325149.db2.gz FBCBSBMSTGHJIL-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO C=CCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267221657 387408287 /nfs/dbraw/zinc/40/82/87/387408287.db2.gz ULYCCWJPRBATLB-LBPRGKRZSA-N 1 2 247.342 2.472 20 30 BEEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccnc1 ZINC000352843381 387516762 /nfs/dbraw/zinc/51/67/62/387516762.db2.gz ZKFSYJZVZWVOMG-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000276036663 387517891 /nfs/dbraw/zinc/51/78/91/387517891.db2.gz VHIWULHGDUTTTC-TZMCWYRMSA-N 1 2 249.358 2.238 20 30 BEEDLO N#CC[N@@H+](CCC1(O)CCC1)C1CCCC1 ZINC000396745906 387488142 /nfs/dbraw/zinc/48/81/42/387488142.db2.gz AAFSHNUUMINZOM-UHFFFAOYSA-N 1 2 222.332 2.060 20 30 BEEDLO N#CC[N@H+](CCC1(O)CCC1)C1CCCC1 ZINC000396745906 387488148 /nfs/dbraw/zinc/48/81/48/387488148.db2.gz AAFSHNUUMINZOM-UHFFFAOYSA-N 1 2 222.332 2.060 20 30 BEEDLO C=C(CC)C[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426206836 387548790 /nfs/dbraw/zinc/54/87/90/387548790.db2.gz GSGXWGVEUISPFV-ZDUSSCGKSA-N 1 2 238.375 2.141 20 30 BEEDLO C=C(CC)C[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000426206836 387548792 /nfs/dbraw/zinc/54/87/92/387548792.db2.gz GSGXWGVEUISPFV-ZDUSSCGKSA-N 1 2 238.375 2.141 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccn1 ZINC000527536681 387632675 /nfs/dbraw/zinc/63/26/75/387632675.db2.gz YHGSIJTTZKZYJT-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)ccn1 ZINC000527536681 387632679 /nfs/dbraw/zinc/63/26/79/387632679.db2.gz YHGSIJTTZKZYJT-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO COc1ccc[nH+]c1NCC1(CC#N)CC1 ZINC000527994422 387805573 /nfs/dbraw/zinc/80/55/73/387805573.db2.gz HVJYCUMOUXDKIX-UHFFFAOYSA-N 1 2 217.272 2.196 20 30 BEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1[nH+]cccc1OC ZINC000527992237 387806048 /nfs/dbraw/zinc/80/60/48/387806048.db2.gz CNZBMKOHBHPAOU-WCQYABFASA-N 1 2 248.326 2.483 20 30 BEEDLO C=CCCCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000442822658 387847098 /nfs/dbraw/zinc/84/70/98/387847098.db2.gz PDLWZWZFCZUDFC-SNVBAGLBSA-N 1 2 221.304 2.333 20 30 BEEDLO COc1ccc[nH+]c1NCC(C)(C)CC#N ZINC000528033352 387817542 /nfs/dbraw/zinc/81/75/42/387817542.db2.gz BDUJKFRARHWJII-UHFFFAOYSA-N 1 2 219.288 2.442 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000175541734 387909837 /nfs/dbraw/zinc/90/98/37/387909837.db2.gz AFLGOAWCCUDYKU-UHFFFAOYSA-N 1 2 234.368 2.477 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000175541734 387909841 /nfs/dbraw/zinc/90/98/41/387909841.db2.gz AFLGOAWCCUDYKU-UHFFFAOYSA-N 1 2 234.368 2.477 20 30 BEEDLO COCC[N@H+](CC#N)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000453597388 388089484 /nfs/dbraw/zinc/08/94/84/388089484.db2.gz LOPUSPAZTWHFAV-JSGCOSHPSA-N 1 2 236.359 2.451 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000453597388 388089488 /nfs/dbraw/zinc/08/94/88/388089488.db2.gz LOPUSPAZTWHFAV-JSGCOSHPSA-N 1 2 236.359 2.451 20 30 BEEDLO COCC[N@H+](CC#N)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000453597390 388089607 /nfs/dbraw/zinc/08/96/07/388089607.db2.gz LOPUSPAZTWHFAV-OCCSQVGLSA-N 1 2 236.359 2.451 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000453597390 388089608 /nfs/dbraw/zinc/08/96/08/388089608.db2.gz LOPUSPAZTWHFAV-OCCSQVGLSA-N 1 2 236.359 2.451 20 30 BEEDLO COCC[N@H+](CC#N)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000453597387 388089962 /nfs/dbraw/zinc/08/99/62/388089962.db2.gz LOPUSPAZTWHFAV-GXTWGEPZSA-N 1 2 236.359 2.451 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000453597387 388089963 /nfs/dbraw/zinc/08/99/63/388089963.db2.gz LOPUSPAZTWHFAV-GXTWGEPZSA-N 1 2 236.359 2.451 20 30 BEEDLO C=CC(C)(C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000456119265 388179628 /nfs/dbraw/zinc/17/96/28/388179628.db2.gz SDMZYEFQSZBVMI-JTQLQIEISA-N 1 2 247.342 2.158 20 30 BEEDLO C=CC(C)(C)CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000456119265 388179631 /nfs/dbraw/zinc/17/96/31/388179631.db2.gz SDMZYEFQSZBVMI-JTQLQIEISA-N 1 2 247.342 2.158 20 30 BEEDLO COc1cc(F)cc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000449016980 388130217 /nfs/dbraw/zinc/13/02/17/388130217.db2.gz OOEMEOZWKSEJLP-SNVBAGLBSA-N 1 2 236.290 2.426 20 30 BEEDLO COc1cc(F)cc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000449016980 388130219 /nfs/dbraw/zinc/13/02/19/388130219.db2.gz OOEMEOZWKSEJLP-SNVBAGLBSA-N 1 2 236.290 2.426 20 30 BEEDLO C=CCCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454874946 388138078 /nfs/dbraw/zinc/13/80/78/388138078.db2.gz MZHFRENMXGOUHS-UHFFFAOYSA-N 1 2 247.342 2.464 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC000490715595 388249532 /nfs/dbraw/zinc/24/95/32/388249532.db2.gz XRJQNIKIVUGAID-JTQLQIEISA-N 1 2 249.285 2.066 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC000490715595 388249534 /nfs/dbraw/zinc/24/95/34/388249534.db2.gz XRJQNIKIVUGAID-JTQLQIEISA-N 1 2 249.285 2.066 20 30 BEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(C)c(F)c1 ZINC000490739591 388252002 /nfs/dbraw/zinc/25/20/02/388252002.db2.gz FEGLDHUOHZKSAB-UHFFFAOYSA-N 1 2 248.301 2.028 20 30 BEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(C)c(F)c1 ZINC000490739591 388252005 /nfs/dbraw/zinc/25/20/05/388252005.db2.gz FEGLDHUOHZKSAB-UHFFFAOYSA-N 1 2 248.301 2.028 20 30 BEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(C)c(C)c1 ZINC000490867079 388257268 /nfs/dbraw/zinc/25/72/68/388257268.db2.gz ZAJFCLAFPKKXNR-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(C)c(C)c1 ZINC000490867079 388257271 /nfs/dbraw/zinc/25/72/71/388257271.db2.gz ZAJFCLAFPKKXNR-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO CC#CCCCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456360425 388196159 /nfs/dbraw/zinc/19/61/59/388196159.db2.gz RTEVWBPWNKOCNA-GFCCVEGCSA-N 1 2 247.342 2.274 20 30 BEEDLO CC#CCCCC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456360426 388196295 /nfs/dbraw/zinc/19/62/95/388196295.db2.gz RTEVWBPWNKOCNA-LBPRGKRZSA-N 1 2 247.342 2.274 20 30 BEEDLO C=CCCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456386803 388198167 /nfs/dbraw/zinc/19/81/67/388198167.db2.gz NIEUQOJXHMGCGH-SNVBAGLBSA-N 1 2 221.304 2.046 20 30 BEEDLO Cc1cc(C)c(CNC(=O)CCCC#N)c[nH+]1 ZINC000456833104 388226658 /nfs/dbraw/zinc/22/66/58/388226658.db2.gz GNSRNXIUUIATIB-UHFFFAOYSA-N 1 2 231.299 2.009 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1C/C=C/c1ccccc1 ZINC000491554761 388303524 /nfs/dbraw/zinc/30/35/24/388303524.db2.gz LWRHJDLBCQTSPB-RZIFZGNASA-N 1 2 227.307 2.034 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1C/C=C/c1ccccc1 ZINC000491554761 388303525 /nfs/dbraw/zinc/30/35/25/388303525.db2.gz LWRHJDLBCQTSPB-RZIFZGNASA-N 1 2 227.307 2.034 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cccnc1Cl ZINC000491555064 388303598 /nfs/dbraw/zinc/30/35/98/388303598.db2.gz OJINCIPFWTUTGE-VIFPVBQESA-N 1 2 208.692 2.189 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cccnc1Cl ZINC000491555064 388303599 /nfs/dbraw/zinc/30/35/99/388303599.db2.gz OJINCIPFWTUTGE-VIFPVBQESA-N 1 2 208.692 2.189 20 30 BEEDLO C#CC[N@@H+](Cc1ncnn1C(C)C)C1CCCC1 ZINC000491695806 388311677 /nfs/dbraw/zinc/31/16/77/388311677.db2.gz NFLHLHDSMGBLES-UHFFFAOYSA-N 1 2 246.358 2.237 20 30 BEEDLO C#CC[N@H+](Cc1ncnn1C(C)C)C1CCCC1 ZINC000491695806 388311678 /nfs/dbraw/zinc/31/16/78/388311678.db2.gz NFLHLHDSMGBLES-UHFFFAOYSA-N 1 2 246.358 2.237 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(C)nc1Cl ZINC000491699140 388312311 /nfs/dbraw/zinc/31/23/11/388312311.db2.gz IMFWQIDYMDXNAS-UHFFFAOYSA-N 1 2 208.692 2.108 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(C)nc1Cl ZINC000491699140 388312312 /nfs/dbraw/zinc/31/23/12/388312312.db2.gz IMFWQIDYMDXNAS-UHFFFAOYSA-N 1 2 208.692 2.108 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ccnc(Cl)c1F ZINC000491703415 388312870 /nfs/dbraw/zinc/31/28/70/388312870.db2.gz NOMYDNLMBIMPPH-QMMMGPOBSA-N 1 2 226.682 2.328 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccnc(Cl)c1F ZINC000491703415 388312871 /nfs/dbraw/zinc/31/28/71/388312871.db2.gz NOMYDNLMBIMPPH-QMMMGPOBSA-N 1 2 226.682 2.328 20 30 BEEDLO C#CC[N@@H+](C)Cc1nc(C2CC2)cs1 ZINC000491753872 388318039 /nfs/dbraw/zinc/31/80/39/388318039.db2.gz QFNRQZMNZTUTJW-UHFFFAOYSA-N 1 2 206.314 2.086 20 30 BEEDLO C#CC[N@H+](C)Cc1nc(C2CC2)cs1 ZINC000491753872 388318040 /nfs/dbraw/zinc/31/80/40/388318040.db2.gz QFNRQZMNZTUTJW-UHFFFAOYSA-N 1 2 206.314 2.086 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C(=O)OC ZINC000491788485 388321212 /nfs/dbraw/zinc/32/12/12/388321212.db2.gz ZGQKDXXPDAVVEI-JTQLQIEISA-N 1 2 249.285 2.066 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(F)cc1C(=O)OC ZINC000491788485 388321213 /nfs/dbraw/zinc/32/12/13/388321213.db2.gz ZGQKDXXPDAVVEI-JTQLQIEISA-N 1 2 249.285 2.066 20 30 BEEDLO C=C(CC)C[NH2+][C@@](C)(CCC)C(=O)OC ZINC000336663299 388262074 /nfs/dbraw/zinc/26/20/74/388262074.db2.gz COBFGUVRTDDLIN-LBPRGKRZSA-N 1 2 213.321 2.274 20 30 BEEDLO C#CCN(Cc1ccccc1)c1cc(C)[nH+]cn1 ZINC000491181224 388275270 /nfs/dbraw/zinc/27/52/70/388275270.db2.gz RDPXTCQDMGUQLJ-UHFFFAOYSA-N 1 2 237.306 2.425 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(COC)n1 ZINC000491210633 388278069 /nfs/dbraw/zinc/27/80/69/388278069.db2.gz WXQPUBOYJZQMCO-UHFFFAOYSA-N 1 2 238.356 2.133 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1csc(COC)n1 ZINC000491210633 388278071 /nfs/dbraw/zinc/27/80/71/388278071.db2.gz WXQPUBOYJZQMCO-UHFFFAOYSA-N 1 2 238.356 2.133 20 30 BEEDLO C=CCCCCCN(C)C(=O)Cc1c[nH+]cn1C ZINC000519449242 256649145 /nfs/dbraw/zinc/64/91/45/256649145.db2.gz BLAIUKPMAVYBAB-UHFFFAOYSA-N 1 2 249.358 2.167 20 30 BEEDLO C=CCSCCNc1nc[nH+]c(N)c1Cl ZINC000236361206 388379435 /nfs/dbraw/zinc/37/94/35/388379435.db2.gz GQJGDEVOAHSZCK-UHFFFAOYSA-N 1 2 244.751 2.043 20 30 BEEDLO C=CCSCCNc1[nH+]cnc(N)c1Cl ZINC000236361206 388379437 /nfs/dbraw/zinc/37/94/37/388379437.db2.gz GQJGDEVOAHSZCK-UHFFFAOYSA-N 1 2 244.751 2.043 20 30 BEEDLO Cc1ncc(C[N@@H+](C)C[C@@H](C)C#N)s1 ZINC000299176627 388440778 /nfs/dbraw/zinc/44/07/78/388440778.db2.gz XRLNKUCAZVTWHJ-QMMMGPOBSA-N 1 2 209.318 2.043 20 30 BEEDLO Cc1ncc(C[N@H+](C)C[C@@H](C)C#N)s1 ZINC000299176627 388440780 /nfs/dbraw/zinc/44/07/80/388440780.db2.gz XRLNKUCAZVTWHJ-QMMMGPOBSA-N 1 2 209.318 2.043 20 30 BEEDLO N#CCC[NH2+]Cc1ccsc1Cl ZINC000336634806 388457823 /nfs/dbraw/zinc/45/78/23/388457823.db2.gz LRPXDJWDXTUOEV-UHFFFAOYSA-N 1 2 200.694 2.405 20 30 BEEDLO COCC[N@H+](CC#N)C[C@H]1CCC[C@H](C)C1 ZINC000316537811 388415381 /nfs/dbraw/zinc/41/53/81/388415381.db2.gz AFJGEKYTHQTOEG-STQMWFEESA-N 1 2 224.348 2.285 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@H]1CCC[C@H](C)C1 ZINC000316537811 388415384 /nfs/dbraw/zinc/41/53/84/388415384.db2.gz AFJGEKYTHQTOEG-STQMWFEESA-N 1 2 224.348 2.285 20 30 BEEDLO C#CC[N@H+](Cc1cocn1)C1CCCC1 ZINC000191947962 388671988 /nfs/dbraw/zinc/67/19/88/388671988.db2.gz JJBLILXOGVHHTF-UHFFFAOYSA-N 1 2 204.273 2.052 20 30 BEEDLO C#CC[N@@H+](Cc1cocn1)C1CCCC1 ZINC000191947962 388671992 /nfs/dbraw/zinc/67/19/92/388671992.db2.gz JJBLILXOGVHHTF-UHFFFAOYSA-N 1 2 204.273 2.052 20 30 BEEDLO C#CC[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000192225456 388677440 /nfs/dbraw/zinc/67/74/40/388677440.db2.gz WTMWRXPCDSOVSX-UHFFFAOYSA-N 1 2 232.308 2.468 20 30 BEEDLO C#CC[N@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000192225456 388677442 /nfs/dbraw/zinc/67/74/42/388677442.db2.gz WTMWRXPCDSOVSX-UHFFFAOYSA-N 1 2 232.308 2.468 20 30 BEEDLO N#CC[N@@H+](CCOCC(F)F)C1CCCC1 ZINC000189367963 388631663 /nfs/dbraw/zinc/63/16/63/388631663.db2.gz WCLHYGZLKMAGLY-UHFFFAOYSA-N 1 2 232.274 2.036 20 30 BEEDLO N#CC[N@H+](CCOCC(F)F)C1CCCC1 ZINC000189367963 388631665 /nfs/dbraw/zinc/63/16/65/388631665.db2.gz WCLHYGZLKMAGLY-UHFFFAOYSA-N 1 2 232.274 2.036 20 30 BEEDLO C[C@@H]1CC[C@H](C[N@@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000405095380 388637385 /nfs/dbraw/zinc/63/73/85/388637385.db2.gz ZAFBIKAVMDIIMH-BXUZGUMPSA-N 1 2 242.322 2.441 20 30 BEEDLO C[C@@H]1CC[C@H](C[N@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000405095380 388637389 /nfs/dbraw/zinc/63/73/89/388637389.db2.gz ZAFBIKAVMDIIMH-BXUZGUMPSA-N 1 2 242.322 2.441 20 30 BEEDLO C=CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000565205185 388925716 /nfs/dbraw/zinc/92/57/16/388925716.db2.gz ARCFZXPDMCVKRX-UHFFFAOYSA-N 1 2 235.331 2.205 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccn(C(C)C)n1 ZINC000565489409 388948677 /nfs/dbraw/zinc/94/86/77/388948677.db2.gz VYCHQTQWBUFCPL-LLVKDONJSA-N 1 2 220.320 2.246 20 30 BEEDLO Cc1cnccc1C[N@@H+](C)[C@H](C)CC#N ZINC000565815404 388970955 /nfs/dbraw/zinc/97/09/55/388970955.db2.gz BCKJGSCWHPJFPP-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1cnccc1C[N@H+](C)[C@H](C)CC#N ZINC000565815404 388970958 /nfs/dbraw/zinc/97/09/58/388970958.db2.gz BCKJGSCWHPJFPP-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO C[N@H+](Cc1cccc(C#N)c1)CC1(C#N)CC1 ZINC000332111560 134004102 /nfs/dbraw/zinc/00/41/02/134004102.db2.gz FGABYEWPPHYHRE-UHFFFAOYSA-N 1 2 225.295 2.294 20 30 BEEDLO C[N@@H+](Cc1cccc(C#N)c1)CC1(C#N)CC1 ZINC000332111560 134004103 /nfs/dbraw/zinc/00/41/03/134004103.db2.gz FGABYEWPPHYHRE-UHFFFAOYSA-N 1 2 225.295 2.294 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCCC3(CC3)C2)n1 ZINC000336012173 134051484 /nfs/dbraw/zinc/05/14/84/134051484.db2.gz XFTBOJFWVVIJSK-UHFFFAOYSA-N 1 2 233.340 2.391 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCCC3(CC3)C2)n1 ZINC000336012173 134051485 /nfs/dbraw/zinc/05/14/85/134051485.db2.gz XFTBOJFWVVIJSK-UHFFFAOYSA-N 1 2 233.340 2.391 20 30 BEEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000336234008 134140424 /nfs/dbraw/zinc/14/04/24/134140424.db2.gz CKHAXXCMXXQAJQ-ZDUSSCGKSA-N 1 2 244.342 2.251 20 30 BEEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000336234008 134140425 /nfs/dbraw/zinc/14/04/25/134140425.db2.gz CKHAXXCMXXQAJQ-ZDUSSCGKSA-N 1 2 244.342 2.251 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn[nH]c1C ZINC000336364162 134144898 /nfs/dbraw/zinc/14/48/98/134144898.db2.gz LZOCUNFDKDEBPG-GFCCVEGCSA-N 1 2 205.305 2.259 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn[nH]c1C ZINC000336364162 134144899 /nfs/dbraw/zinc/14/48/99/134144899.db2.gz LZOCUNFDKDEBPG-GFCCVEGCSA-N 1 2 205.305 2.259 20 30 BEEDLO N#CC1(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)CC1 ZINC000336471549 134148109 /nfs/dbraw/zinc/14/81/09/134148109.db2.gz RNJUCUVPSBWXDQ-LBPRGKRZSA-N 1 2 230.315 2.240 20 30 BEEDLO N#CC1(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)CC1 ZINC000336471549 134148110 /nfs/dbraw/zinc/14/81/10/134148110.db2.gz RNJUCUVPSBWXDQ-LBPRGKRZSA-N 1 2 230.315 2.240 20 30 BEEDLO N#C[C@@H]1[N@H+](CC2CC2)CCC[C@@]12CCCCO2 ZINC000336551075 134149780 /nfs/dbraw/zinc/14/97/80/134149780.db2.gz IGUUJQPHJUYLCG-KBPBESRZSA-N 1 2 234.343 2.324 20 30 BEEDLO N#C[C@@H]1[N@@H+](CC2CC2)CCC[C@@]12CCCCO2 ZINC000336551075 134149781 /nfs/dbraw/zinc/14/97/81/134149781.db2.gz IGUUJQPHJUYLCG-KBPBESRZSA-N 1 2 234.343 2.324 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(C)s1 ZINC000336600496 134151203 /nfs/dbraw/zinc/15/12/03/134151203.db2.gz DSGKUINNVDHXLF-SNVBAGLBSA-N 1 2 223.345 2.387 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(C)s1 ZINC000336600496 134151204 /nfs/dbraw/zinc/15/12/04/134151204.db2.gz DSGKUINNVDHXLF-SNVBAGLBSA-N 1 2 223.345 2.387 20 30 BEEDLO C=C(C)COCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000354379868 134168188 /nfs/dbraw/zinc/16/81/88/134168188.db2.gz GFUKEWSVWRJOEQ-UHFFFAOYSA-N 1 2 247.342 2.089 20 30 BEEDLO C=CC[N@@H+](Cc1nccn1CC)C1CC1 ZINC000357551659 134183920 /nfs/dbraw/zinc/18/39/20/134183920.db2.gz KLZPAGCMJWSOEX-UHFFFAOYSA-N 1 2 205.305 2.053 20 30 BEEDLO C=CC[N@H+](Cc1nccn1CC)C1CC1 ZINC000357551659 134183921 /nfs/dbraw/zinc/18/39/21/134183921.db2.gz KLZPAGCMJWSOEX-UHFFFAOYSA-N 1 2 205.305 2.053 20 30 BEEDLO CC#CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120637487 134230208 /nfs/dbraw/zinc/23/02/08/134230208.db2.gz KQXKLSDYKJULKI-UHFFFAOYSA-N 1 2 221.250 2.346 20 30 BEEDLO CC#CC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120637487 134230209 /nfs/dbraw/zinc/23/02/09/134230209.db2.gz KQXKLSDYKJULKI-UHFFFAOYSA-N 1 2 221.250 2.346 20 30 BEEDLO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC#N)C1 ZINC000373914657 134235287 /nfs/dbraw/zinc/23/52/87/134235287.db2.gz YGFPAFFMZWICJT-RQJABVFESA-N 1 2 236.359 2.162 20 30 BEEDLO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC#N)C1 ZINC000373914657 134235288 /nfs/dbraw/zinc/23/52/88/134235288.db2.gz YGFPAFFMZWICJT-RQJABVFESA-N 1 2 236.359 2.162 20 30 BEEDLO N#CCC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000374608140 134237626 /nfs/dbraw/zinc/23/76/26/134237626.db2.gz BDJCTKXBCWGXBI-ZDUSSCGKSA-N 1 2 234.274 2.192 20 30 BEEDLO N#CCC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000374608140 134237627 /nfs/dbraw/zinc/23/76/27/134237627.db2.gz BDJCTKXBCWGXBI-ZDUSSCGKSA-N 1 2 234.274 2.192 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(CCC)no1 ZINC000181285074 134334934 /nfs/dbraw/zinc/33/49/34/134334934.db2.gz LDYZNZFWUIKMGY-UHFFFAOYSA-N 1 2 209.293 2.030 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(CCC)no1 ZINC000181285074 134334935 /nfs/dbraw/zinc/33/49/35/134334935.db2.gz LDYZNZFWUIKMGY-UHFFFAOYSA-N 1 2 209.293 2.030 20 30 BEEDLO Cn1c[nH+]cc1COc1ccc(C#N)cc1F ZINC000225241064 134351989 /nfs/dbraw/zinc/35/19/89/134351989.db2.gz CXSPORWDJHTHMD-UHFFFAOYSA-N 1 2 231.230 2.010 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2nccs2)CC1 ZINC000227350795 134378844 /nfs/dbraw/zinc/37/88/44/134378844.db2.gz VGMSXMFTUITQCP-UHFFFAOYSA-N 1 2 221.329 2.269 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccccc1C#N ZINC000063086371 134395455 /nfs/dbraw/zinc/39/54/55/134395455.db2.gz PODVZTUQMXUATF-GFCCVEGCSA-N 1 2 243.310 2.171 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccccc1C#N ZINC000063086371 134395457 /nfs/dbraw/zinc/39/54/57/134395457.db2.gz PODVZTUQMXUATF-GFCCVEGCSA-N 1 2 243.310 2.171 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000063086124 134396041 /nfs/dbraw/zinc/39/60/41/134396041.db2.gz LCYBJMBZUVOKNB-VIFPVBQESA-N 1 2 223.707 2.469 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000063086124 134396042 /nfs/dbraw/zinc/39/60/42/134396042.db2.gz LCYBJMBZUVOKNB-VIFPVBQESA-N 1 2 223.707 2.469 20 30 BEEDLO N#CCC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000363408827 134398872 /nfs/dbraw/zinc/39/88/72/134398872.db2.gz IAKAPARKBRLVSK-ZDUSSCGKSA-N 1 2 216.284 2.053 20 30 BEEDLO N#CCC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000363408827 134398874 /nfs/dbraw/zinc/39/88/74/134398874.db2.gz IAKAPARKBRLVSK-ZDUSSCGKSA-N 1 2 216.284 2.053 20 30 BEEDLO C=CCC[N@@H+](C)[C@@H](C(=O)OC)c1ccsc1 ZINC000337212261 135008020 /nfs/dbraw/zinc/00/80/20/135008020.db2.gz VJMVPGMODWCYOB-LLVKDONJSA-N 1 2 239.340 2.470 20 30 BEEDLO C=CCC[N@H+](C)[C@@H](C(=O)OC)c1ccsc1 ZINC000337212261 135008022 /nfs/dbraw/zinc/00/80/22/135008022.db2.gz VJMVPGMODWCYOB-LLVKDONJSA-N 1 2 239.340 2.470 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000338353944 135034877 /nfs/dbraw/zinc/03/48/77/135034877.db2.gz QQPPTDMUYPIANE-SNVBAGLBSA-N 1 2 246.358 2.161 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000338353944 135034880 /nfs/dbraw/zinc/03/48/80/135034880.db2.gz QQPPTDMUYPIANE-SNVBAGLBSA-N 1 2 246.358 2.161 20 30 BEEDLO COc1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)n1 ZINC000338345550 135035251 /nfs/dbraw/zinc/03/52/51/135035251.db2.gz FFHQGIQXDZXQFP-NSHDSACASA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)n1 ZINC000338345550 135035253 /nfs/dbraw/zinc/03/52/53/135035253.db2.gz FFHQGIQXDZXQFP-NSHDSACASA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)n1 ZINC000338345548 135035319 /nfs/dbraw/zinc/03/53/19/135035319.db2.gz FFHQGIQXDZXQFP-LLVKDONJSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)n1 ZINC000338345548 135035321 /nfs/dbraw/zinc/03/53/21/135035321.db2.gz FFHQGIQXDZXQFP-LLVKDONJSA-N 1 2 245.326 2.214 20 30 BEEDLO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC#N ZINC000266906178 135150575 /nfs/dbraw/zinc/15/05/75/135150575.db2.gz BKDGTXDKQGBHDT-TZMCWYRMSA-N 1 2 214.312 2.463 20 30 BEEDLO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC#N ZINC000266906178 135150576 /nfs/dbraw/zinc/15/05/76/135150576.db2.gz BKDGTXDKQGBHDT-TZMCWYRMSA-N 1 2 214.312 2.463 20 30 BEEDLO Cc1ccncc1C[N@@H+](C)[C@@H](C)CC#N ZINC000269638392 135166246 /nfs/dbraw/zinc/16/62/46/135166246.db2.gz RNGJZVVSMUJTFO-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1ccncc1C[N@H+](C)[C@@H](C)CC#N ZINC000269638392 135166247 /nfs/dbraw/zinc/16/62/47/135166247.db2.gz RNGJZVVSMUJTFO-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO C=CC[N@H+](CCC#N)[C@H]1CC[C@@H](C#N)C1 ZINC000293507752 135181275 /nfs/dbraw/zinc/18/12/75/135181275.db2.gz HWHRGAMVWHAGOG-NEPJUHHUSA-N 1 2 203.289 2.080 20 30 BEEDLO C=CC[N@@H+](CCC#N)[C@H]1CC[C@@H](C#N)C1 ZINC000293507752 135181277 /nfs/dbraw/zinc/18/12/77/135181277.db2.gz HWHRGAMVWHAGOG-NEPJUHHUSA-N 1 2 203.289 2.080 20 30 BEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000265996792 135363339 /nfs/dbraw/zinc/36/33/39/135363339.db2.gz JUQQJHIOMZVKIB-UHFFFAOYSA-N 1 2 244.338 2.143 20 30 BEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000265996792 135363340 /nfs/dbraw/zinc/36/33/40/135363340.db2.gz JUQQJHIOMZVKIB-UHFFFAOYSA-N 1 2 244.338 2.143 20 30 BEEDLO C[C@@H]1COCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000334340440 135363388 /nfs/dbraw/zinc/36/33/88/135363388.db2.gz MWSVILDYUIFABJ-NSHDSACASA-N 1 2 248.301 2.166 20 30 BEEDLO C[C@@H]1COCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000334340440 135363389 /nfs/dbraw/zinc/36/33/89/135363389.db2.gz MWSVILDYUIFABJ-NSHDSACASA-N 1 2 248.301 2.166 20 30 BEEDLO CCc1cc(N)nc(SCCCC#N)[nH+]1 ZINC000279019275 135369165 /nfs/dbraw/zinc/36/91/65/135369165.db2.gz BOXBAFSPCFHERG-UHFFFAOYSA-N 1 2 222.317 2.017 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(F)ncc1F ZINC000291395700 135375517 /nfs/dbraw/zinc/37/55/17/135375517.db2.gz DDARKESJMGKTLJ-VIFPVBQESA-N 1 2 225.242 2.142 20 30 BEEDLO C[C@@H](C#N)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000335384268 136088369 /nfs/dbraw/zinc/08/83/69/136088369.db2.gz LHVRCYSZOBKQQM-VIFPVBQESA-N 1 2 240.266 2.175 20 30 BEEDLO CCc1ccc(C[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000348706299 136116463 /nfs/dbraw/zinc/11/64/63/136116463.db2.gz HEWAFOSZGJRECG-UHFFFAOYSA-N 1 2 247.317 2.472 20 30 BEEDLO C#C[C@H](C)N(C)c1cc[nH+]c(C(C)C)n1 ZINC000491406914 398040766 /nfs/dbraw/zinc/04/07/66/398040766.db2.gz OZEGBCCZSQZHPX-JTQLQIEISA-N 1 2 203.289 2.058 20 30 BEEDLO CCC#C[C@@H](C)[NH+]1CCN(CC(C)(F)F)CC1 ZINC001648437709 1172833273 /nfs/dbraw/zinc/83/32/73/1172833273.db2.gz PXTHCVJOEDIRLJ-GFCCVEGCSA-N 1 2 244.329 2.061 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000279169423 166110377 /nfs/dbraw/zinc/11/03/77/166110377.db2.gz BTZARZGDRLVLMC-UHFFFAOYSA-N 1 2 235.331 2.112 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000279169423 166110381 /nfs/dbraw/zinc/11/03/81/166110381.db2.gz BTZARZGDRLVLMC-UHFFFAOYSA-N 1 2 235.331 2.112 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000279204236 166111334 /nfs/dbraw/zinc/11/13/34/166111334.db2.gz GHZWGWAHQQQXGS-UHFFFAOYSA-N 1 2 245.282 2.173 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000279204236 166111338 /nfs/dbraw/zinc/11/13/38/166111338.db2.gz GHZWGWAHQQQXGS-UHFFFAOYSA-N 1 2 245.282 2.173 20 30 BEEDLO C=C(CC)C[N@H+](C)Cc1nnc(C)s1 ZINC000662255740 409552748 /nfs/dbraw/zinc/55/27/48/409552748.db2.gz DUHZQKNDWLMZDB-UHFFFAOYSA-N 1 2 211.334 2.245 20 30 BEEDLO C=C(CC)C[N@@H+](C)Cc1nnc(C)s1 ZINC000662255740 409552755 /nfs/dbraw/zinc/55/27/55/409552755.db2.gz DUHZQKNDWLMZDB-UHFFFAOYSA-N 1 2 211.334 2.245 20 30 BEEDLO CC(C)(C)CN(CCC#N)Cc1c[nH+]c[nH]1 ZINC000093101180 410103763 /nfs/dbraw/zinc/10/37/63/410103763.db2.gz ZCMMDIWYWXATML-UHFFFAOYSA-N 1 2 220.320 2.171 20 30 BEEDLO CC(C)(C)CN(CCC#N)Cc1c[nH]c[nH+]1 ZINC000093101180 410103766 /nfs/dbraw/zinc/10/37/66/410103766.db2.gz ZCMMDIWYWXATML-UHFFFAOYSA-N 1 2 220.320 2.171 20 30 BEEDLO Cc1nc(C)c(C[N@@H+](C)C[C@H](C)C#N)s1 ZINC000266028206 487614963 /nfs/dbraw/zinc/61/49/63/487614963.db2.gz ZDKYTGPVOLGSOT-MRVPVSSYSA-N 1 2 223.345 2.351 20 30 BEEDLO Cc1nc(C)c(C[N@H+](C)C[C@H](C)C#N)s1 ZINC000266028206 487614966 /nfs/dbraw/zinc/61/49/66/487614966.db2.gz ZDKYTGPVOLGSOT-MRVPVSSYSA-N 1 2 223.345 2.351 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC000270657425 166168550 /nfs/dbraw/zinc/16/85/50/166168550.db2.gz VAXRBJLCKLUHLT-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO C#CC[N@H+](CC)Cc1ncc(C2CC2)o1 ZINC000270657425 166168552 /nfs/dbraw/zinc/16/85/52/166168552.db2.gz VAXRBJLCKLUHLT-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO C=CCC[N@H+](C)Cc1noc(CCC)n1 ZINC000276404124 166259558 /nfs/dbraw/zinc/25/95/58/166259558.db2.gz KXSJEGZZJAQCHU-UHFFFAOYSA-N 1 2 209.293 2.030 20 30 BEEDLO C=CCC[N@@H+](C)Cc1noc(CCC)n1 ZINC000276404124 166259556 /nfs/dbraw/zinc/25/95/56/166259556.db2.gz KXSJEGZZJAQCHU-UHFFFAOYSA-N 1 2 209.293 2.030 20 30 BEEDLO C=CCCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000276282949 166261734 /nfs/dbraw/zinc/26/17/34/166261734.db2.gz IRQRWOJRYQWQBP-UHFFFAOYSA-N 1 2 203.289 2.366 20 30 BEEDLO C=CCCO[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000107289384 166273731 /nfs/dbraw/zinc/27/37/31/166273731.db2.gz VGHUHAMBHCPPHD-NSHDSACASA-N 1 2 234.299 2.310 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000292713960 166338937 /nfs/dbraw/zinc/33/89/37/166338937.db2.gz DNMNDBPEJYQEOS-UHFFFAOYSA-N 1 2 240.310 2.465 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000292713960 166338939 /nfs/dbraw/zinc/33/89/39/166338939.db2.gz DNMNDBPEJYQEOS-UHFFFAOYSA-N 1 2 240.310 2.465 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1cccc(OC)c1O ZINC000292882693 166340190 /nfs/dbraw/zinc/34/01/90/166340190.db2.gz XXQGVDICLQTECB-UHFFFAOYSA-N 1 2 246.310 2.302 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1cccc(OC)c1O ZINC000292882693 166340192 /nfs/dbraw/zinc/34/01/92/166340192.db2.gz XXQGVDICLQTECB-UHFFFAOYSA-N 1 2 246.310 2.302 20 30 BEEDLO C=CCCn1cc(C[N@@H+]2CCCC[C@H]2C=C)nn1 ZINC000653648060 411155125 /nfs/dbraw/zinc/15/51/25/411155125.db2.gz APOIUOWTUDOLJY-CQSZACIVSA-N 1 2 246.358 2.395 20 30 BEEDLO C=CCCn1cc(C[N@H+]2CCCC[C@H]2C=C)nn1 ZINC000653648060 411155129 /nfs/dbraw/zinc/15/51/29/411155129.db2.gz APOIUOWTUDOLJY-CQSZACIVSA-N 1 2 246.358 2.395 20 30 BEEDLO Cc1cc(C[N@@H+](CCC#N)CCC(C)C)n(C)n1 ZINC000417763436 411194155 /nfs/dbraw/zinc/19/41/55/411194155.db2.gz KLSROHYVIBBYHJ-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO Cc1cc(C[N@H+](CCC#N)CCC(C)C)n(C)n1 ZINC000417763436 411194158 /nfs/dbraw/zinc/19/41/58/411194158.db2.gz KLSROHYVIBBYHJ-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO C=CCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000658112882 411247630 /nfs/dbraw/zinc/24/76/30/411247630.db2.gz AFSJCFRXFPWKDK-JTQLQIEISA-N 1 2 234.328 2.121 20 30 BEEDLO C=C[C@H](CO)[NH2+]Cc1csc(CCCC)n1 ZINC000662166256 411370723 /nfs/dbraw/zinc/37/07/23/411370723.db2.gz XRQBDEKNSULNPW-SNVBAGLBSA-N 1 2 240.372 2.122 20 30 BEEDLO C=CC[N@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662233289 411382462 /nfs/dbraw/zinc/38/24/62/411382462.db2.gz CYBYUVSJSMFPOA-BDAKNGLRSA-N 1 2 223.238 2.214 20 30 BEEDLO C=CC[N@@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662233289 411382465 /nfs/dbraw/zinc/38/24/65/411382465.db2.gz CYBYUVSJSMFPOA-BDAKNGLRSA-N 1 2 223.238 2.214 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(CC)cc1 ZINC000491452350 411393315 /nfs/dbraw/zinc/39/33/15/411393315.db2.gz KWOCZJIZPCPWLX-GFCCVEGCSA-N 1 2 244.338 2.141 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(CC)cc1 ZINC000491452350 411393319 /nfs/dbraw/zinc/39/33/19/411393319.db2.gz KWOCZJIZPCPWLX-GFCCVEGCSA-N 1 2 244.338 2.141 20 30 BEEDLO COCC#CC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000657080781 411400462 /nfs/dbraw/zinc/40/04/62/411400462.db2.gz KARTWKPFLFAMFK-UHFFFAOYSA-N 1 2 249.741 2.348 20 30 BEEDLO COCC#CC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000657080781 411400464 /nfs/dbraw/zinc/40/04/64/411400464.db2.gz KARTWKPFLFAMFK-UHFFFAOYSA-N 1 2 249.741 2.348 20 30 BEEDLO C=CCCn1cc(C[N@H+](CC=C)C2CC2)nn1 ZINC000653596900 411429655 /nfs/dbraw/zinc/42/96/55/411429655.db2.gz SFKSPHVDRCLQBJ-UHFFFAOYSA-N 1 2 232.331 2.005 20 30 BEEDLO C=CCCn1cc(C[N@@H+](CC=C)C2CC2)nn1 ZINC000653596900 411429657 /nfs/dbraw/zinc/42/96/57/411429657.db2.gz SFKSPHVDRCLQBJ-UHFFFAOYSA-N 1 2 232.331 2.005 20 30 BEEDLO C=C1CC[NH+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC000659909218 411495313 /nfs/dbraw/zinc/49/53/13/411495313.db2.gz DHPZXTQVJCUYJD-JTQLQIEISA-N 1 2 220.320 2.080 20 30 BEEDLO C=CCC[N@@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660762868 411622888 /nfs/dbraw/zinc/62/28/88/411622888.db2.gz YJPMLWPZYOPDNO-CYBMUJFWSA-N 1 2 242.326 2.402 20 30 BEEDLO C=CCC[N@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660762868 411622891 /nfs/dbraw/zinc/62/28/91/411622891.db2.gz YJPMLWPZYOPDNO-CYBMUJFWSA-N 1 2 242.326 2.402 20 30 BEEDLO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661411279 411770122 /nfs/dbraw/zinc/77/01/22/411770122.db2.gz XTGIOEMITIRAOL-WDEREUQCSA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCCC[C@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661411279 411770126 /nfs/dbraw/zinc/77/01/26/411770126.db2.gz XTGIOEMITIRAOL-WDEREUQCSA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCCCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661411920 411770583 /nfs/dbraw/zinc/77/05/83/411770583.db2.gz CBVVNJPXFCOPIE-SNVBAGLBSA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCCCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661411920 411770586 /nfs/dbraw/zinc/77/05/86/411770586.db2.gz CBVVNJPXFCOPIE-SNVBAGLBSA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661411276 411771063 /nfs/dbraw/zinc/77/10/63/411771063.db2.gz XTGIOEMITIRAOL-GHMZBOCLSA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661411276 411771066 /nfs/dbraw/zinc/77/10/66/411771066.db2.gz XTGIOEMITIRAOL-GHMZBOCLSA-N 1 2 233.302 2.433 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(CC)n1 ZINC000662078173 411978669 /nfs/dbraw/zinc/97/86/69/411978669.db2.gz CDHHUZRHWFMPGI-PHIMTYICSA-N 1 2 233.315 2.315 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(CC)n1 ZINC000662078173 411978674 /nfs/dbraw/zinc/97/86/74/411978674.db2.gz CDHHUZRHWFMPGI-PHIMTYICSA-N 1 2 233.315 2.315 20 30 BEEDLO COCC#CC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664821653 412026033 /nfs/dbraw/zinc/02/60/33/412026033.db2.gz FLZUALBVRBBINW-CQSZACIVSA-N 1 2 244.338 2.114 20 30 BEEDLO COCC#CC[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664821653 412026037 /nfs/dbraw/zinc/02/60/37/412026037.db2.gz FLZUALBVRBBINW-CQSZACIVSA-N 1 2 244.338 2.114 20 30 BEEDLO COCC#CC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830843 412029275 /nfs/dbraw/zinc/02/92/75/412029275.db2.gz BDXJIXWAKCPSPF-CQSZACIVSA-N 1 2 244.338 2.114 20 30 BEEDLO COCC#CC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664830843 412029279 /nfs/dbraw/zinc/02/92/79/412029279.db2.gz BDXJIXWAKCPSPF-CQSZACIVSA-N 1 2 244.338 2.114 20 30 BEEDLO C=CCOCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664980371 412055741 /nfs/dbraw/zinc/05/57/41/412055741.db2.gz CNGZBJZOTBIWKY-UHFFFAOYSA-N 1 2 245.282 2.066 20 30 BEEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000178912035 171076309 /nfs/dbraw/zinc/07/63/09/171076309.db2.gz PBSRONZIYLWQSG-OAHLLOKOSA-N 1 2 247.313 2.288 20 30 BEEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000178912035 171076313 /nfs/dbraw/zinc/07/63/13/171076313.db2.gz PBSRONZIYLWQSG-OAHLLOKOSA-N 1 2 247.313 2.288 20 30 BEEDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000036326354 171105928 /nfs/dbraw/zinc/10/59/28/171105928.db2.gz CNIWQFSZGHGMKU-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000036326354 171105929 /nfs/dbraw/zinc/10/59/29/171105929.db2.gz CNIWQFSZGHGMKU-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662372758 412130203 /nfs/dbraw/zinc/13/02/03/412130203.db2.gz XMYUIGQZYNZZKL-PWSUYJOCSA-N 1 2 231.286 2.144 20 30 BEEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662372758 412130206 /nfs/dbraw/zinc/13/02/06/412130206.db2.gz XMYUIGQZYNZZKL-PWSUYJOCSA-N 1 2 231.286 2.144 20 30 BEEDLO CCc1nnc([C@@H](C)[NH+]2CCC(C)(C#N)CC2)o1 ZINC000408159233 172064920 /nfs/dbraw/zinc/06/49/20/172064920.db2.gz OMYSVWLSOZBDHV-SNVBAGLBSA-N 1 2 248.330 2.319 20 30 BEEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1F ZINC000048298850 175095909 /nfs/dbraw/zinc/09/59/09/175095909.db2.gz IABNZVWXXVNZJH-SNVBAGLBSA-N 1 2 236.290 2.426 20 30 BEEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1F ZINC000048298850 175095911 /nfs/dbraw/zinc/09/59/11/175095911.db2.gz IABNZVWXXVNZJH-SNVBAGLBSA-N 1 2 236.290 2.426 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)[C@H](C)CO1 ZINC000300240596 176304099 /nfs/dbraw/zinc/30/40/99/176304099.db2.gz RGUIVUBEARWDGN-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)[C@H](C)CO1 ZINC000300240596 176304100 /nfs/dbraw/zinc/30/41/00/176304100.db2.gz RGUIVUBEARWDGN-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1OCC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC000157145653 177398454 /nfs/dbraw/zinc/39/84/54/177398454.db2.gz DBNIQLWUYJIHMI-CHWSQXEVSA-N 1 2 247.313 2.286 20 30 BEEDLO C[C@H]1OCC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC000157145653 177398456 /nfs/dbraw/zinc/39/84/56/177398456.db2.gz DBNIQLWUYJIHMI-CHWSQXEVSA-N 1 2 247.313 2.286 20 30 BEEDLO C#C[C@H](C)[NH2+]Cc1c(Cl)ccnc1Cl ZINC001652432042 1173080648 /nfs/dbraw/zinc/08/06/48/1173080648.db2.gz BDFXYDFXIIMAPA-ZETCQYMHSA-N 1 2 229.110 2.500 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)C/C=C/c1ccncc1 ZINC000495176163 226277862 /nfs/dbraw/zinc/27/78/62/226277862.db2.gz RRDPUIZAYBJVBO-PCAWENJQSA-N 1 2 215.300 2.186 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)C/C=C/c1ccncc1 ZINC000495176163 226277863 /nfs/dbraw/zinc/27/78/63/226277863.db2.gz RRDPUIZAYBJVBO-PCAWENJQSA-N 1 2 215.300 2.186 20 30 BEEDLO CCc1nocc1C[N@H+](CC)C[C@H](C)C#N ZINC000507583535 226370234 /nfs/dbraw/zinc/37/02/34/226370234.db2.gz PUWGPAVKDDEYMT-SNVBAGLBSA-N 1 2 221.304 2.219 20 30 BEEDLO CCc1nocc1C[N@@H+](CC)C[C@H](C)C#N ZINC000507583535 226370235 /nfs/dbraw/zinc/37/02/35/226370235.db2.gz PUWGPAVKDDEYMT-SNVBAGLBSA-N 1 2 221.304 2.219 20 30 BEEDLO CC#CCC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000680884676 487664963 /nfs/dbraw/zinc/66/49/63/487664963.db2.gz PBVVSHCMCUXMSB-UWVGGRQHSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CCC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000680884676 487664967 /nfs/dbraw/zinc/66/49/67/487664967.db2.gz PBVVSHCMCUXMSB-UWVGGRQHSA-N 1 2 235.249 2.051 20 30 BEEDLO Cc1cc(N[C@H]2CC[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399430002 262783753 /nfs/dbraw/zinc/78/37/53/262783753.db2.gz HURLIUKWWCVDGF-CABZTGNLSA-N 1 2 215.300 2.284 20 30 BEEDLO Cc1cc(N(C)CC2CCOCC2)c(C#N)c[nH+]1 ZINC000399529201 262837748 /nfs/dbraw/zinc/83/77/48/262837748.db2.gz RHJYCMKCLWOYPZ-UHFFFAOYSA-N 1 2 245.326 2.125 20 30 BEEDLO CC#CCC[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671715678 487703713 /nfs/dbraw/zinc/70/37/13/487703713.db2.gz SSGBDMZFNGGPDM-NXEZZACHSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CCC[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671715678 487703716 /nfs/dbraw/zinc/70/37/16/487703716.db2.gz SSGBDMZFNGGPDM-NXEZZACHSA-N 1 2 235.249 2.051 20 30 BEEDLO Cc1cc(NCC[C@@H]2CCCCO2)c(C#N)c[nH+]1 ZINC000399501786 267300172 /nfs/dbraw/zinc/30/01/72/267300172.db2.gz JSQYHZZEBLKJHT-ZDUSSCGKSA-N 1 2 245.326 2.055 20 30 BEEDLO Cc1cc(N[C@H]2CC23CCCC3)c(C#N)c[nH+]1 ZINC000399376226 267300984 /nfs/dbraw/zinc/30/09/84/267300984.db2.gz BKJHORUWVSLPSW-ZDUSSCGKSA-N 1 2 227.311 2.428 20 30 BEEDLO Cc1cc(N[C@@H]2CCC[C@H]2C)c(C#N)c[nH+]1 ZINC000399457290 267301863 /nfs/dbraw/zinc/30/18/63/267301863.db2.gz OXIUTMWUJBPWOH-BXKDBHETSA-N 1 2 215.300 2.284 20 30 BEEDLO C=CC[C@H](CC)Nc1nc[nH+]c2c1OCCN2 ZINC000665716894 487738632 /nfs/dbraw/zinc/73/86/32/487738632.db2.gz RHNHVWDBWXTALQ-VIFPVBQESA-N 1 2 234.303 2.048 20 30 BEEDLO C=CC[C@H](CC)Nc1[nH+]cnc2c1OCCN2 ZINC000665716894 487738636 /nfs/dbraw/zinc/73/86/36/487738636.db2.gz RHNHVWDBWXTALQ-VIFPVBQESA-N 1 2 234.303 2.048 20 30 BEEDLO CC[N@H+](CC#N)CC1(OC)CCCCC1 ZINC000361577609 487802306 /nfs/dbraw/zinc/80/23/06/487802306.db2.gz LVEOGYJEHMHEIW-UHFFFAOYSA-N 1 2 210.321 2.181 20 30 BEEDLO CC[N@@H+](CC#N)CC1(OC)CCCCC1 ZINC000361577609 487802311 /nfs/dbraw/zinc/80/23/11/487802311.db2.gz LVEOGYJEHMHEIW-UHFFFAOYSA-N 1 2 210.321 2.181 20 30 BEEDLO Cc1noc([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595610765 487872954 /nfs/dbraw/zinc/87/29/54/487872954.db2.gz BVSFHXRVONTNRG-KOLCDFICSA-N 1 2 234.303 2.065 20 30 BEEDLO Cc1noc([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595610765 487872959 /nfs/dbraw/zinc/87/29/59/487872959.db2.gz BVSFHXRVONTNRG-KOLCDFICSA-N 1 2 234.303 2.065 20 30 BEEDLO Cc1nc(N[C@@H](C)c2cccc(C#N)c2)cc[nH+]1 ZINC000610340258 487952059 /nfs/dbraw/zinc/95/20/59/487952059.db2.gz HAKFQJWMLSOJDH-JTQLQIEISA-N 1 2 238.294 2.252 20 30 BEEDLO CN(C)c1ccc(NCc2ccc(C#N)o2)[nH+]c1 ZINC000150895678 323002043 /nfs/dbraw/zinc/00/20/43/323002043.db2.gz YWZJFEIZDSWVCC-UHFFFAOYSA-N 1 2 242.282 2.224 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccc3c(n2)CCC3)CCC1 ZINC000562811745 323031161 /nfs/dbraw/zinc/03/11/61/323031161.db2.gz GHVYIGZPYFILMK-UHFFFAOYSA-N 1 2 241.338 2.354 20 30 BEEDLO N#CC1(C[NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000569654183 323035683 /nfs/dbraw/zinc/03/56/83/323035683.db2.gz IHNZJYMATQQZQW-UHFFFAOYSA-N 1 2 240.228 2.497 20 30 BEEDLO C[N@@H+](Cc1cccc(O)c1)C[C@@H](C#N)CCC#N ZINC000531378176 323088353 /nfs/dbraw/zinc/08/83/53/323088353.db2.gz DIMQJMNIAJCJPY-CYBMUJFWSA-N 1 2 243.310 2.268 20 30 BEEDLO C[N@H+](Cc1cccc(O)c1)C[C@@H](C#N)CCC#N ZINC000531378176 323088354 /nfs/dbraw/zinc/08/83/54/323088354.db2.gz DIMQJMNIAJCJPY-CYBMUJFWSA-N 1 2 243.310 2.268 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc2[nH]cnc2c1 ZINC000535069459 323165340 /nfs/dbraw/zinc/16/53/40/323165340.db2.gz TUOBERMETOLQAK-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc2[nH]cnc2c1 ZINC000535069459 323165341 /nfs/dbraw/zinc/16/53/41/323165341.db2.gz TUOBERMETOLQAK-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc2nc[nH]c2c1 ZINC000535069459 323165342 /nfs/dbraw/zinc/16/53/42/323165342.db2.gz TUOBERMETOLQAK-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc2nc[nH]c2c1 ZINC000535069459 323165343 /nfs/dbraw/zinc/16/53/43/323165343.db2.gz TUOBERMETOLQAK-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO C[N@@H+](CC#N)CCCCc1ccccc1 ZINC000052037635 323192382 /nfs/dbraw/zinc/19/23/82/323192382.db2.gz OPTSSZSKDDFEKW-UHFFFAOYSA-N 1 2 202.301 2.465 20 30 BEEDLO C[N@H+](CC#N)CCCCc1ccccc1 ZINC000052037635 323192383 /nfs/dbraw/zinc/19/23/83/323192383.db2.gz OPTSSZSKDDFEKW-UHFFFAOYSA-N 1 2 202.301 2.465 20 30 BEEDLO C=CC[N@@H+](Cc1ncc(CC)o1)C1CC1 ZINC000536743284 323202919 /nfs/dbraw/zinc/20/29/19/323202919.db2.gz WHQRMLMWVYBNAA-UHFFFAOYSA-N 1 2 206.289 2.387 20 30 BEEDLO C=CC[N@H+](Cc1ncc(CC)o1)C1CC1 ZINC000536743284 323202920 /nfs/dbraw/zinc/20/29/20/323202920.db2.gz WHQRMLMWVYBNAA-UHFFFAOYSA-N 1 2 206.289 2.387 20 30 BEEDLO N#CCC1CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000563986691 323339144 /nfs/dbraw/zinc/33/91/44/323339144.db2.gz YNMFVBBWKKYCSB-UHFFFAOYSA-N 1 2 246.314 2.073 20 30 BEEDLO C=CC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000121217026 324005958 /nfs/dbraw/zinc/00/59/58/324005958.db2.gz VZOQNBJREALYFY-UHFFFAOYSA-N 1 2 224.235 2.352 20 30 BEEDLO C=CC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000121217026 324005961 /nfs/dbraw/zinc/00/59/61/324005961.db2.gz VZOQNBJREALYFY-UHFFFAOYSA-N 1 2 224.235 2.352 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000059639080 324015857 /nfs/dbraw/zinc/01/58/57/324015857.db2.gz MSZWSLJSBYYPBQ-SNVBAGLBSA-N 1 2 233.271 2.329 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000059639080 324015860 /nfs/dbraw/zinc/01/58/60/324015860.db2.gz MSZWSLJSBYYPBQ-SNVBAGLBSA-N 1 2 233.271 2.329 20 30 BEEDLO Cc1c[nH+]ccc1NC(=O)C1(C#N)CC(C)C1 ZINC000122373340 324041931 /nfs/dbraw/zinc/04/19/31/324041931.db2.gz SROMPUFDCNXTHD-UHFFFAOYSA-N 1 2 229.283 2.268 20 30 BEEDLO C=CCC[N@@H+](C)Cc1nnc(CC)s1 ZINC000682435593 487962424 /nfs/dbraw/zinc/96/24/24/487962424.db2.gz ZRRKCYWAPFXVOZ-UHFFFAOYSA-N 1 2 211.334 2.108 20 30 BEEDLO C=CCC[N@H+](C)Cc1nnc(CC)s1 ZINC000682435593 487962428 /nfs/dbraw/zinc/96/24/28/487962428.db2.gz ZRRKCYWAPFXVOZ-UHFFFAOYSA-N 1 2 211.334 2.108 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000491792107 324161635 /nfs/dbraw/zinc/16/16/35/324161635.db2.gz DFZQXVIMRNXWIH-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000491792107 324161640 /nfs/dbraw/zinc/16/16/40/324161640.db2.gz DFZQXVIMRNXWIH-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO COc1ccc[nH+]c1NCc1ccc(C#N)o1 ZINC000540660812 324911731 /nfs/dbraw/zinc/91/17/31/324911731.db2.gz BIWWUARRBUOEKH-UHFFFAOYSA-N 1 2 229.239 2.167 20 30 BEEDLO CCc1cnc(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000540952426 324935049 /nfs/dbraw/zinc/93/50/49/324935049.db2.gz UYHZWSLVBSKSCH-UHFFFAOYSA-N 1 2 233.315 2.363 20 30 BEEDLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(C#N)cc1F ZINC000543762440 325112435 /nfs/dbraw/zinc/11/24/35/325112435.db2.gz UXNLYHOURJEAIN-VIFPVBQESA-N 1 2 244.273 2.271 20 30 BEEDLO Cc1ccc(CNc2cc(CC#N)cc[nH+]2)cn1 ZINC000546633591 325296378 /nfs/dbraw/zinc/29/63/78/325296378.db2.gz MRWHJJKZAFIOKQ-UHFFFAOYSA-N 1 2 238.294 2.463 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000042324381 487967710 /nfs/dbraw/zinc/96/77/10/487967710.db2.gz QGGUEUQGLICYOT-VIFPVBQESA-N 1 2 223.707 2.326 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000042324381 487967714 /nfs/dbraw/zinc/96/77/14/487967714.db2.gz QGGUEUQGLICYOT-VIFPVBQESA-N 1 2 223.707 2.326 20 30 BEEDLO C=CCN(C)c1nc(C2CC2)[nH+]c2c1CCC2 ZINC000548614436 325468788 /nfs/dbraw/zinc/46/87/88/325468788.db2.gz WCGPJXUOHYWACX-UHFFFAOYSA-N 1 2 229.327 2.465 20 30 BEEDLO C=CCC(C)(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000566471790 326053101 /nfs/dbraw/zinc/05/31/01/326053101.db2.gz ZSICSXKDNQYFOM-SECBINFHSA-N 1 2 221.304 2.189 20 30 BEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000567246147 326149334 /nfs/dbraw/zinc/14/93/34/326149334.db2.gz GVXASZDZBPNNJD-LLVKDONJSA-N 1 2 249.289 2.046 20 30 BEEDLO C#CC[N@@H+](CC(=O)c1cccn1C)C1CCCC1 ZINC000155892263 326214102 /nfs/dbraw/zinc/21/41/02/326214102.db2.gz MELSWZHHNITXEW-UHFFFAOYSA-N 1 2 244.338 2.086 20 30 BEEDLO C#CC[N@H+](CC(=O)c1cccn1C)C1CCCC1 ZINC000155892263 326214103 /nfs/dbraw/zinc/21/41/03/326214103.db2.gz MELSWZHHNITXEW-UHFFFAOYSA-N 1 2 244.338 2.086 20 30 BEEDLO C=CCN(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000157573835 326284142 /nfs/dbraw/zinc/28/41/42/326284142.db2.gz KBXKMOHWIPQNDB-UHFFFAOYSA-N 1 2 219.288 2.348 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(F)cc1C#N ZINC000568181634 326321524 /nfs/dbraw/zinc/32/15/24/326321524.db2.gz YXZZJEDABXKXAF-CYBMUJFWSA-N 1 2 231.274 2.479 20 30 BEEDLO C=CCN(CC=C)C(=O)/C=C/c1[nH+]ccn1CC ZINC000158695623 326338020 /nfs/dbraw/zinc/33/80/20/326338020.db2.gz VJAAPDOGXYBYKB-BQYQJAHWSA-N 1 2 245.326 2.117 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2ccccc2[nH]1 ZINC000573147188 326432220 /nfs/dbraw/zinc/43/22/20/326432220.db2.gz STGVKFOKELPUHY-JTQLQIEISA-N 1 2 228.299 2.345 20 30 BEEDLO C=CC[NH+](CC=C)Cc1c(C2CC2)cnn1C ZINC000667472460 488019089 /nfs/dbraw/zinc/01/90/89/488019089.db2.gz JLTDPYASVJFARW-UHFFFAOYSA-N 1 2 231.343 2.472 20 30 BEEDLO C=CC[NH+](CC=C)Cc1snnc1C ZINC000143333254 488086707 /nfs/dbraw/zinc/08/67/07/488086707.db2.gz JZFRXQNSKUNFRD-UHFFFAOYSA-N 1 2 209.318 2.021 20 30 BEEDLO COCC#CC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000677820768 487521188 /nfs/dbraw/zinc/52/11/88/487521188.db2.gz WBJXLPULZQNUQD-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO COCC#CC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000677820768 487521194 /nfs/dbraw/zinc/52/11/94/487521194.db2.gz WBJXLPULZQNUQD-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO C=C(CC)C[N@H+](C)Cc1nnc2ccccn21 ZINC000678625100 488273790 /nfs/dbraw/zinc/27/37/90/488273790.db2.gz MGLYDSWYQMSFAT-UHFFFAOYSA-N 1 2 230.315 2.127 20 30 BEEDLO C=C(CC)C[N@@H+](C)Cc1nnc2ccccn21 ZINC000678625100 488273793 /nfs/dbraw/zinc/27/37/93/488273793.db2.gz MGLYDSWYQMSFAT-UHFFFAOYSA-N 1 2 230.315 2.127 20 30 BEEDLO CC[N@H+](Cc1ccc(OC)cn1)C[C@H](C)C#N ZINC000342469270 535785062 /nfs/dbraw/zinc/78/50/62/535785062.db2.gz FYJASTOYNURRHP-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO CC[N@H+](CCC#N)C[C@H]1C[C@@]1(C)Br ZINC000891578984 582699108 /nfs/dbraw/zinc/69/91/08/582699108.db2.gz RXUDFDRQHQMONW-NXEZZACHSA-N 1 2 245.164 2.395 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@H]1C[C@@]1(C)Br ZINC000891578984 582699109 /nfs/dbraw/zinc/69/91/09/582699109.db2.gz RXUDFDRQHQMONW-NXEZZACHSA-N 1 2 245.164 2.395 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC000891716068 582713471 /nfs/dbraw/zinc/71/34/71/582713471.db2.gz KSQZROZZMCYSEK-KXUCPTDWSA-N 1 2 245.164 2.251 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC000891716068 582713472 /nfs/dbraw/zinc/71/34/72/582713472.db2.gz KSQZROZZMCYSEK-KXUCPTDWSA-N 1 2 245.164 2.251 20 30 BEEDLO C=C(CC)C[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000358813252 534392933 /nfs/dbraw/zinc/39/29/33/534392933.db2.gz DUJHIPKFPSIYJU-CYBMUJFWSA-N 1 2 249.358 2.366 20 30 BEEDLO C=C(CC)C[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000358813252 534392941 /nfs/dbraw/zinc/39/29/41/534392941.db2.gz DUJHIPKFPSIYJU-CYBMUJFWSA-N 1 2 249.358 2.366 20 30 BEEDLO C=CC1CC[NH+](Cc2ncnn2CC(C)C)CC1 ZINC000182778146 534530872 /nfs/dbraw/zinc/53/08/72/534530872.db2.gz NIBVMGRCTWVAFJ-UHFFFAOYSA-N 1 2 248.374 2.332 20 30 BEEDLO C=CCC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC1 ZINC000359590534 534581583 /nfs/dbraw/zinc/58/15/83/534581583.db2.gz KZJMLNCNLDSZJC-UHFFFAOYSA-N 1 2 233.315 2.115 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn[nH]c1C ZINC000336364164 534695274 /nfs/dbraw/zinc/69/52/74/534695274.db2.gz LZOCUNFDKDEBPG-LBPRGKRZSA-N 1 2 205.305 2.259 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn[nH]c1C ZINC000336364164 534695278 /nfs/dbraw/zinc/69/52/78/534695278.db2.gz LZOCUNFDKDEBPG-LBPRGKRZSA-N 1 2 205.305 2.259 20 30 BEEDLO C=CC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1C ZINC000121418573 534815474 /nfs/dbraw/zinc/81/54/74/534815474.db2.gz MEBMDHKHFHRPAH-ZDUSSCGKSA-N 1 2 233.311 2.327 20 30 BEEDLO C=CC[N@H+](C)[C@H](C(=O)OC)c1ccccc1C ZINC000121418573 534815481 /nfs/dbraw/zinc/81/54/81/534815481.db2.gz MEBMDHKHFHRPAH-ZDUSSCGKSA-N 1 2 233.311 2.327 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1ncc(CC)s1 ZINC000361647873 534835954 /nfs/dbraw/zinc/83/59/54/534835954.db2.gz MDJLUJCJRLXSPI-UHFFFAOYSA-N 1 2 240.372 2.340 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1ncc(CC)s1 ZINC000361647873 534835956 /nfs/dbraw/zinc/83/59/56/534835956.db2.gz MDJLUJCJRLXSPI-UHFFFAOYSA-N 1 2 240.372 2.340 20 30 BEEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1nnc(C)s1 ZINC000338367331 534836364 /nfs/dbraw/zinc/83/63/64/534836364.db2.gz ZBSYQQSIPXVEJK-VIFPVBQESA-N 1 2 241.360 2.042 20 30 BEEDLO C=CC[N@H+](CCOC)[C@@H](C)c1nnc(C)s1 ZINC000338367331 534836370 /nfs/dbraw/zinc/83/63/70/534836370.db2.gz ZBSYQQSIPXVEJK-VIFPVBQESA-N 1 2 241.360 2.042 20 30 BEEDLO C=CC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000336293282 534849628 /nfs/dbraw/zinc/84/96/28/534849628.db2.gz BWIZJMSKIRWYDZ-ZDUSSCGKSA-N 1 2 221.275 2.385 20 30 BEEDLO C=CC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000336293282 534849633 /nfs/dbraw/zinc/84/96/33/534849633.db2.gz BWIZJMSKIRWYDZ-ZDUSSCGKSA-N 1 2 221.275 2.385 20 30 BEEDLO C=CCOCCC[N@H+](CC#N)C1CCCC1 ZINC000348049353 534874435 /nfs/dbraw/zinc/87/44/35/534874435.db2.gz LNDIQNISKUIEPL-UHFFFAOYSA-N 1 2 222.332 2.347 20 30 BEEDLO C=CCOCCC[N@@H+](CC#N)C1CCCC1 ZINC000348049353 534874438 /nfs/dbraw/zinc/87/44/38/534874438.db2.gz LNDIQNISKUIEPL-UHFFFAOYSA-N 1 2 222.332 2.347 20 30 BEEDLO C#CC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000491670262 526956962 /nfs/dbraw/zinc/95/69/62/526956962.db2.gz OOHSXBQBYFBCAH-UHFFFAOYSA-N 1 2 211.717 2.393 20 30 BEEDLO C#CC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000491670262 526956964 /nfs/dbraw/zinc/95/69/64/526956964.db2.gz OOHSXBQBYFBCAH-UHFFFAOYSA-N 1 2 211.717 2.393 20 30 BEEDLO C=CC[C@@H](CC)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492587838 527034370 /nfs/dbraw/zinc/03/43/70/527034370.db2.gz BSRWSKAEWQETNY-IDVQTMNDSA-N 1 2 247.342 2.387 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(CC)s1 ZINC000491373531 527332306 /nfs/dbraw/zinc/33/23/06/527332306.db2.gz NIOPFZVRQWWWIM-VIFPVBQESA-N 1 2 208.330 2.159 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(CC)s1 ZINC000491373531 527332312 /nfs/dbraw/zinc/33/23/12/527332312.db2.gz NIOPFZVRQWWWIM-VIFPVBQESA-N 1 2 208.330 2.159 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494285957 527457893 /nfs/dbraw/zinc/45/78/93/527457893.db2.gz VGIHKSHNVWQBJR-WDEREUQCSA-N 1 2 233.302 2.291 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494285957 527457900 /nfs/dbraw/zinc/45/79/00/527457900.db2.gz VGIHKSHNVWQBJR-WDEREUQCSA-N 1 2 233.302 2.291 20 30 BEEDLO C=CC[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000494637281 527574935 /nfs/dbraw/zinc/57/49/35/527574935.db2.gz ZZUCHEMUSSMMGC-UHFFFAOYSA-N 1 2 246.339 2.218 20 30 BEEDLO C=CC[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000494637281 527574947 /nfs/dbraw/zinc/57/49/47/527574947.db2.gz ZZUCHEMUSSMMGC-UHFFFAOYSA-N 1 2 246.339 2.218 20 30 BEEDLO CCC[N@H+](CC#N)[C@@H]1C[C@H](OCC)C1(C)C ZINC000121077699 535274676 /nfs/dbraw/zinc/27/46/76/535274676.db2.gz MHNLRWBIQIKDSP-NEPJUHHUSA-N 1 2 224.348 2.426 20 30 BEEDLO CCC[N@@H+](CC#N)[C@@H]1C[C@H](OCC)C1(C)C ZINC000121077699 535274683 /nfs/dbraw/zinc/27/46/83/535274683.db2.gz MHNLRWBIQIKDSP-NEPJUHHUSA-N 1 2 224.348 2.426 20 30 BEEDLO CCCn1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000354035520 535607742 /nfs/dbraw/zinc/60/77/42/535607742.db2.gz YTVIZSAWNXFGAO-LBPRGKRZSA-N 1 2 246.358 2.417 20 30 BEEDLO CCCn1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000354035520 535607750 /nfs/dbraw/zinc/60/77/50/535607750.db2.gz YTVIZSAWNXFGAO-LBPRGKRZSA-N 1 2 246.358 2.417 20 30 BEEDLO CC[N@@H+](Cc1ccc(OC)cn1)C[C@H](C)C#N ZINC000342469270 535785060 /nfs/dbraw/zinc/78/50/60/535785060.db2.gz FYJASTOYNURRHP-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO CC[N@@H+](Cc1ccc(OC)nc1)C[C@@H](C)C#N ZINC000362836320 535784984 /nfs/dbraw/zinc/78/49/84/535784984.db2.gz FYGSJMVOXGAKKK-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO CC[N@H+](Cc1ccc(OC)nc1)C[C@@H](C)C#N ZINC000362836320 535784986 /nfs/dbraw/zinc/78/49/86/535784986.db2.gz FYGSJMVOXGAKKK-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO COC1(C[NH+]2CC(C)(C#N)C2)CCCCC1 ZINC000335347174 536623598 /nfs/dbraw/zinc/62/35/98/536623598.db2.gz URDSBDGEQATIJG-UHFFFAOYSA-N 1 2 222.332 2.181 20 30 BEEDLO COc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000338388286 536858624 /nfs/dbraw/zinc/85/86/24/536858624.db2.gz VXKRRDUQFZMLCV-LLVKDONJSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000338388286 536858633 /nfs/dbraw/zinc/85/86/33/536858633.db2.gz VXKRRDUQFZMLCV-LLVKDONJSA-N 1 2 245.326 2.214 20 30 BEEDLO N#CCC[N@@H+](Cc1cccc(F)n1)CC1CC1 ZINC000851797947 582967680 /nfs/dbraw/zinc/96/76/80/582967680.db2.gz NKDNEKMCEFRTMT-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO N#CCC[N@H+](Cc1cccc(F)n1)CC1CC1 ZINC000851797947 582967683 /nfs/dbraw/zinc/96/76/83/582967683.db2.gz NKDNEKMCEFRTMT-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO C#CCOCCSc1[nH+]cc2ccccn21 ZINC000853013598 588715720 /nfs/dbraw/zinc/71/57/20/588715720.db2.gz ANXIMOOKCZPTFM-UHFFFAOYSA-N 1 2 232.308 2.076 20 30 BEEDLO C=CC1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000111166614 588725318 /nfs/dbraw/zinc/72/53/18/588725318.db2.gz CFQBQOACVDZOHI-UHFFFAOYSA-N 1 2 225.723 2.392 20 30 BEEDLO Cc1[nH]c(CN=Nc2cc(C)ccn2)[nH+]c1C ZINC000853317142 588732282 /nfs/dbraw/zinc/73/22/82/588732282.db2.gz PCVFIGILVXRLPG-UHFFFAOYSA-N 1 2 229.287 2.176 20 30 BEEDLO CC(C)n1cc[nH+]c1CN=Nc1ncccc1F ZINC000853343995 588735860 /nfs/dbraw/zinc/73/58/60/588735860.db2.gz AODLKYSDVBEZKB-UHFFFAOYSA-N 1 2 247.277 2.444 20 30 BEEDLO CN(C)c1ncc(C=[NH+]OCC2CCC2)s1 ZINC000853440061 588743007 /nfs/dbraw/zinc/74/30/07/588743007.db2.gz YFONOGNUJVSDPN-UHFFFAOYSA-N 1 2 239.344 2.360 20 30 BEEDLO Cc1noc(C)c1C[N@H+](C)C[C@H](C#N)CCC#N ZINC000112559754 588802640 /nfs/dbraw/zinc/80/26/40/588802640.db2.gz FKUDKQOHHCJTBV-LBPRGKRZSA-N 1 2 246.314 2.167 20 30 BEEDLO Cc1noc(C)c1C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000112559754 588802641 /nfs/dbraw/zinc/80/26/41/588802641.db2.gz FKUDKQOHHCJTBV-LBPRGKRZSA-N 1 2 246.314 2.167 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@]1(C)CC)C(=O)OC ZINC000845983910 582642433 /nfs/dbraw/zinc/64/24/33/582642433.db2.gz XJKAJQWTKNKECR-SCRDCRAPSA-N 1 2 237.343 2.110 20 30 BEEDLO CC[N@@H+](Cc1cn2ccnc2s1)C[C@@H](C)C#N ZINC000891717167 582712826 /nfs/dbraw/zinc/71/28/26/582712826.db2.gz YNOSXDHXOPEOSD-JTQLQIEISA-N 1 2 248.355 2.377 20 30 BEEDLO CC[N@H+](Cc1cn2ccnc2s1)C[C@@H](C)C#N ZINC000891717167 582712831 /nfs/dbraw/zinc/71/28/31/582712831.db2.gz YNOSXDHXOPEOSD-JTQLQIEISA-N 1 2 248.355 2.377 20 30 BEEDLO CCOc1ccc(C[N@H+](C)C[C@H](C)C#N)o1 ZINC000891715617 582713134 /nfs/dbraw/zinc/71/31/34/582713134.db2.gz GKPPSVZSAHDPSX-SNVBAGLBSA-N 1 2 222.288 2.270 20 30 BEEDLO CCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)o1 ZINC000891715617 582713135 /nfs/dbraw/zinc/71/31/35/582713135.db2.gz GKPPSVZSAHDPSX-SNVBAGLBSA-N 1 2 222.288 2.270 20 30 BEEDLO CC1(C)COCC[N@@H+]1Cc1csc(C#N)c1 ZINC000891781642 582720659 /nfs/dbraw/zinc/72/06/59/582720659.db2.gz KTYULNPPWNUSEZ-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO CC1(C)COCC[N@H+]1Cc1csc(C#N)c1 ZINC000891781642 582720661 /nfs/dbraw/zinc/72/06/61/582720661.db2.gz KTYULNPPWNUSEZ-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO C#CC[N@@H+](CC)Cc1c(Cl)n[nH]c1CC ZINC000891805245 582724421 /nfs/dbraw/zinc/72/44/21/582724421.db2.gz GPACVTZBZSWNCN-UHFFFAOYSA-N 1 2 225.723 2.081 20 30 BEEDLO C#CC[N@H+](CC)Cc1c(Cl)n[nH]c1CC ZINC000891805245 582724424 /nfs/dbraw/zinc/72/44/24/582724424.db2.gz GPACVTZBZSWNCN-UHFFFAOYSA-N 1 2 225.723 2.081 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)C[C@H]1C[C@]1(C)Br ZINC000891933515 582740242 /nfs/dbraw/zinc/74/02/42/582740242.db2.gz IOYUGJSUCKBIIE-BBBLOLIVSA-N 1 2 245.164 2.394 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)C[C@H]1C[C@]1(C)Br ZINC000891933515 582740243 /nfs/dbraw/zinc/74/02/43/582740243.db2.gz IOYUGJSUCKBIIE-BBBLOLIVSA-N 1 2 245.164 2.394 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)o1 ZINC000891933927 582740571 /nfs/dbraw/zinc/74/05/71/582740571.db2.gz OZXQVMSXXUBRSB-VIFPVBQESA-N 1 2 208.261 2.022 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)o1 ZINC000891933927 582740572 /nfs/dbraw/zinc/74/05/72/582740572.db2.gz OZXQVMSXXUBRSB-VIFPVBQESA-N 1 2 208.261 2.022 20 30 BEEDLO C=C1CC[NH+](Cc2ccnc(OC)c2F)CC1 ZINC000891943712 582742594 /nfs/dbraw/zinc/74/25/94/582742594.db2.gz VBOZRNMGLGIOAR-UHFFFAOYSA-N 1 2 236.290 2.381 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2csc(C#N)c2)[C@H]1C ZINC000892048035 582772637 /nfs/dbraw/zinc/77/26/37/582772637.db2.gz GGYKKOYHHBRFJJ-VHSXEESVSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2csc(C#N)c2)[C@H]1C ZINC000892048035 582772640 /nfs/dbraw/zinc/77/26/40/582772640.db2.gz GGYKKOYHHBRFJJ-VHSXEESVSA-N 1 2 236.340 2.229 20 30 BEEDLO C#CC[NH+](CC#C)Cc1nccc2c1CCCC2 ZINC000892058903 582778489 /nfs/dbraw/zinc/77/84/89/582778489.db2.gz MFORNENMSRBNPG-UHFFFAOYSA-N 1 2 238.334 2.029 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000852103199 583000881 /nfs/dbraw/zinc/00/08/81/583000881.db2.gz ADAUSMPHZDTOQH-ZDUSSCGKSA-N 1 2 248.282 2.192 20 30 BEEDLO C=CC1(OC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000893358665 583122495 /nfs/dbraw/zinc/12/24/95/583122495.db2.gz JXLAZQBIBXFVLW-SNVBAGLBSA-N 1 2 220.272 2.096 20 30 BEEDLO Cc1cnc(Cl)c(C[NH2+]C[C@H](C)C#N)c1 ZINC000893543413 583159434 /nfs/dbraw/zinc/15/94/34/583159434.db2.gz BYGGWZZTQBONEU-SECBINFHSA-N 1 2 223.707 2.293 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000893604883 583171902 /nfs/dbraw/zinc/17/19/02/583171902.db2.gz AWTMJWZJTXVHIO-JTQLQIEISA-N 1 2 245.282 2.315 20 30 BEEDLO Cc1n[nH]c(C[N@@H+](CCC#N)CC(C)C)c1C ZINC000893882375 583240605 /nfs/dbraw/zinc/24/06/05/583240605.db2.gz SEXWCLYMFFKZED-UHFFFAOYSA-N 1 2 234.347 2.398 20 30 BEEDLO Cc1n[nH]c(C[N@H+](CCC#N)CC(C)C)c1C ZINC000893882375 583240607 /nfs/dbraw/zinc/24/06/07/583240607.db2.gz SEXWCLYMFFKZED-UHFFFAOYSA-N 1 2 234.347 2.398 20 30 BEEDLO Cc1noc2ncc(C[N@@H+](C)C[C@H](C)C#N)cc12 ZINC000893961673 583256127 /nfs/dbraw/zinc/25/61/27/583256127.db2.gz IDOIFPGRULCCDT-SECBINFHSA-N 1 2 244.298 2.123 20 30 BEEDLO Cc1noc2ncc(C[N@H+](C)C[C@H](C)C#N)cc12 ZINC000893961673 583256129 /nfs/dbraw/zinc/25/61/29/583256129.db2.gz IDOIFPGRULCCDT-SECBINFHSA-N 1 2 244.298 2.123 20 30 BEEDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)n1 ZINC000893972613 583265135 /nfs/dbraw/zinc/26/51/35/583265135.db2.gz LAYDBPYJJJZGND-DTWKUNHWSA-N 1 2 236.319 2.357 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(SC)o1 ZINC000894032610 583277049 /nfs/dbraw/zinc/27/70/49/583277049.db2.gz OHPJNYUOMDLXJE-UHFFFAOYSA-N 1 2 219.309 2.070 20 30 BEEDLO Cc1cnc(Cl)c(C[NH2+]CCC#N)c1 ZINC000894085188 583295404 /nfs/dbraw/zinc/29/54/04/583295404.db2.gz YWTYDAOYQRYRDG-UHFFFAOYSA-N 1 2 209.680 2.047 20 30 BEEDLO N#CCC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000894082121 583294149 /nfs/dbraw/zinc/29/41/49/583294149.db2.gz SPJZTLRDPQILRJ-UHFFFAOYSA-N 1 2 249.261 2.251 20 30 BEEDLO c1ccc(N2CCC(=NOCC3CC3)CC2)[nH+]c1 ZINC000814243507 583349496 /nfs/dbraw/zinc/34/94/96/583349496.db2.gz ZZIYSUANQPSYIM-UHFFFAOYSA-N 1 2 245.326 2.464 20 30 BEEDLO COc1cccc(/C=[NH+]/CC[C@@H](C)OC)c1O ZINC000726429851 583353116 /nfs/dbraw/zinc/35/31/16/583353116.db2.gz SBLIAVSWQZQJPS-GMROUXNLSA-N 1 2 237.299 2.245 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]\CC[C@@H](C)OC ZINC000726429235 583353412 /nfs/dbraw/zinc/35/34/12/583353412.db2.gz LSXOUNHZMMQLFO-AHEVQNHNSA-N 1 2 237.299 2.245 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]/CC[C@@H](C)OC ZINC000726429236 583353650 /nfs/dbraw/zinc/35/36/50/583353650.db2.gz LSXOUNHZMMQLFO-GMROUXNLSA-N 1 2 237.299 2.245 20 30 BEEDLO C#CC[C@@H]1CCCN(c2cccc([C@H](C)O)[nH+]2)C1 ZINC000894348635 583432366 /nfs/dbraw/zinc/43/23/66/583432366.db2.gz DPTRRBORDVCRFG-QWHCGFSZSA-N 1 2 244.338 2.375 20 30 BEEDLO CSc1ccc(C[NH2+]C[C@H](C)C#N)o1 ZINC000894452655 583463016 /nfs/dbraw/zinc/46/30/16/583463016.db2.gz JFMIGOJSZAGCFE-MRVPVSSYSA-N 1 2 210.302 2.251 20 30 BEEDLO C#CC[N@@H+](Cc1nc(C(C)C)c[nH]1)C1CC1 ZINC000894469858 583469338 /nfs/dbraw/zinc/46/93/38/583469338.db2.gz JHSNVFONPJJUEW-UHFFFAOYSA-N 1 2 217.316 2.131 20 30 BEEDLO C#CC[N@H+](Cc1nc(C(C)C)c[nH]1)C1CC1 ZINC000894469858 583469340 /nfs/dbraw/zinc/46/93/40/583469340.db2.gz JHSNVFONPJJUEW-UHFFFAOYSA-N 1 2 217.316 2.131 20 30 BEEDLO C[C@H](O)c1cccc(N2CCC[C@H](CC#N)C2)[nH+]1 ZINC000894487561 583471494 /nfs/dbraw/zinc/47/14/94/583471494.db2.gz UUUWHBQTNIVCHO-NWDGAFQWSA-N 1 2 245.326 2.265 20 30 BEEDLO C=CCN(CCC#N)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000894838475 583529319 /nfs/dbraw/zinc/52/93/19/583529319.db2.gz OIJIKXDSCXRFHA-UHFFFAOYSA-N 1 2 232.331 2.435 20 30 BEEDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000894860229 583533343 /nfs/dbraw/zinc/53/33/43/583533343.db2.gz FMNYDEOEGIRFHI-DTWKUNHWSA-N 1 2 235.718 2.447 20 30 BEEDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000894860229 583533346 /nfs/dbraw/zinc/53/33/46/583533346.db2.gz FMNYDEOEGIRFHI-DTWKUNHWSA-N 1 2 235.718 2.447 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000895185012 583618520 /nfs/dbraw/zinc/61/85/20/583618520.db2.gz ZGTOJXQLYZRQCO-GFCCVEGCSA-N 1 2 231.343 2.378 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000895185012 583618521 /nfs/dbraw/zinc/61/85/21/583618521.db2.gz ZGTOJXQLYZRQCO-GFCCVEGCSA-N 1 2 231.343 2.378 20 30 BEEDLO C=CC(C)(C)NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000895213857 583628371 /nfs/dbraw/zinc/62/83/71/583628371.db2.gz FARCBURELZOBKT-UWVGGRQHSA-N 1 2 248.330 2.153 20 30 BEEDLO N#CCC1C[NH+](Cc2cnn(CC3CCC3)c2)C1 ZINC000895344144 583655164 /nfs/dbraw/zinc/65/51/64/583655164.db2.gz MHFBVPJTGLDECS-UHFFFAOYSA-N 1 2 244.342 2.029 20 30 BEEDLO C=C1CCC(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000895703900 583709417 /nfs/dbraw/zinc/70/94/17/583709417.db2.gz IBNLIZVVBOLTMJ-LBPRGKRZSA-N 1 2 247.342 2.134 20 30 BEEDLO C=CCC1(C(=O)N[C@H]2CCn3c[nH+]cc32)CCC1 ZINC000857978962 588927700 /nfs/dbraw/zinc/92/77/00/588927700.db2.gz MGWHCGGWUUGMTA-NSHDSACASA-N 1 2 245.326 2.191 20 30 BEEDLO C=C(C)CCc1noc(C2([NH+](C)C)CC2)n1 ZINC000896280495 583788602 /nfs/dbraw/zinc/78/86/02/583788602.db2.gz IRGPXRVELLNADY-UHFFFAOYSA-N 1 2 221.304 2.129 20 30 BEEDLO CC(C)c1c[nH]c(CN2CCC[C@@H](C#N)C2)[nH+]1 ZINC000896500277 583806933 /nfs/dbraw/zinc/80/69/33/583806933.db2.gz BUQDZWAOLHGCGE-NSHDSACASA-N 1 2 232.331 2.269 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000896500773 583806999 /nfs/dbraw/zinc/80/69/99/583806999.db2.gz KPUYSPMLAKCKAG-JTQLQIEISA-N 1 2 233.290 2.143 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc(F)c2N)C1 ZINC000896500773 583807001 /nfs/dbraw/zinc/80/70/01/583807001.db2.gz KPUYSPMLAKCKAG-JTQLQIEISA-N 1 2 233.290 2.143 20 30 BEEDLO Cn1ncc(C2CC2)c1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896500395 583807096 /nfs/dbraw/zinc/80/70/96/583807096.db2.gz DNKOKDHWICHTLQ-LLVKDONJSA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1ncc(C2CC2)c1C[N@H+]1CCC[C@H](C#N)C1 ZINC000896500395 583807097 /nfs/dbraw/zinc/80/70/97/583807097.db2.gz DNKOKDHWICHTLQ-LLVKDONJSA-N 1 2 244.342 2.033 20 30 BEEDLO Cc1ccoc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896501207 583807591 /nfs/dbraw/zinc/80/75/91/583807591.db2.gz FTBRPTOJHNHWNY-LLVKDONJSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1ccoc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000896501207 583807593 /nfs/dbraw/zinc/80/75/93/583807593.db2.gz FTBRPTOJHNHWNY-LLVKDONJSA-N 1 2 204.273 2.324 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000896501509 583807647 /nfs/dbraw/zinc/80/76/47/583807647.db2.gz ARCYUDODNYWCIX-JTQLQIEISA-N 1 2 234.274 2.267 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000896501509 583807649 /nfs/dbraw/zinc/80/76/49/583807649.db2.gz ARCYUDODNYWCIX-JTQLQIEISA-N 1 2 234.274 2.267 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCn3cccc3C2)c1 ZINC000896759512 583831432 /nfs/dbraw/zinc/83/14/32/583831432.db2.gz BYIRTUVJFFKLSN-UHFFFAOYSA-N 1 2 243.335 2.437 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCn3cccc3C2)c1 ZINC000896759512 583831433 /nfs/dbraw/zinc/83/14/33/583831433.db2.gz BYIRTUVJFFKLSN-UHFFFAOYSA-N 1 2 243.335 2.437 20 30 BEEDLO C=C(C)CC/[NH+]=C/c1cccc(O)c1O ZINC000840708863 583854108 /nfs/dbraw/zinc/85/41/08/583854108.db2.gz ZWHNLSIOTUTSNQ-MDWZMJQESA-N 1 2 205.257 2.483 20 30 BEEDLO Oc1cccc(/C=[NH+]/CCC[C@H]2CCOC2)c1O ZINC000840710985 583872751 /nfs/dbraw/zinc/87/27/51/583872751.db2.gz TVECIPUVFFIVRH-ZRRZQRFHSA-N 1 2 249.310 2.333 20 30 BEEDLO Cc1cccc2c1CC[N@H+](CCC#N)C2 ZINC000729479915 584015507 /nfs/dbraw/zinc/01/55/07/584015507.db2.gz IIBRTVZDIFAAGW-UHFFFAOYSA-N 1 2 200.285 2.267 20 30 BEEDLO Cc1cccc2c1CC[N@@H+](CCC#N)C2 ZINC000729479915 584015509 /nfs/dbraw/zinc/01/55/09/584015509.db2.gz IIBRTVZDIFAAGW-UHFFFAOYSA-N 1 2 200.285 2.267 20 30 BEEDLO CCC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C(=O)OC ZINC000897833648 584052509 /nfs/dbraw/zinc/05/25/09/584052509.db2.gz SBTHOYODPRIVNN-GHMZBOCLSA-N 1 2 240.347 2.246 20 30 BEEDLO C(=NNc1cc[nH+]c2ccccc12)c1cccnc1 ZINC000730147392 584124747 /nfs/dbraw/zinc/12/47/47/584124747.db2.gz DDPPULWXJVJEQL-UHFFFAOYSA-N 1 2 248.289 2.498 20 30 BEEDLO Cc1cc(C=NNC2CC2)c2c([nH+]1)CCCC2 ZINC000901217165 584402008 /nfs/dbraw/zinc/40/20/08/584402008.db2.gz LJZFBYRBVOMELE-UHFFFAOYSA-N 1 2 229.327 2.355 20 30 BEEDLO C(=[NH+]n1nnc2c1CCCC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000901329178 584423908 /nfs/dbraw/zinc/42/39/08/584423908.db2.gz TXRHRZNZGXBKPC-JGPRNRPPSA-N 1 2 230.315 2.037 20 30 BEEDLO CC(C)(C=[NH+]n1nnc2c1CCCC2)CCC#N ZINC000901331975 584425272 /nfs/dbraw/zinc/42/52/72/584425272.db2.gz ZMLHZRSLGOFLFP-UHFFFAOYSA-N 1 2 245.330 2.321 20 30 BEEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccnn1C ZINC000901501282 584454897 /nfs/dbraw/zinc/45/48/97/584454897.db2.gz VFQLBZQVBXLSDP-SNAWJCMRSA-N 1 2 244.298 2.094 20 30 BEEDLO C[C@@H]([NH2+]Cc1cscn1)c1cc(C#N)ccn1 ZINC000902782227 584670984 /nfs/dbraw/zinc/67/09/84/584670984.db2.gz AJBCYJTVDSGOJZ-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc2n(n1)CCC2 ZINC000903034681 584719192 /nfs/dbraw/zinc/71/91/92/584719192.db2.gz AQUWGSQJUHNBLS-LLVKDONJSA-N 1 2 244.342 2.174 20 30 BEEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1cc2n(n1)CCC2 ZINC000903102105 584727751 /nfs/dbraw/zinc/72/77/51/584727751.db2.gz SIIBVCHSVSQQJH-JTQLQIEISA-N 1 2 232.331 2.030 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cn2ccccc2n1 ZINC000903105952 584727938 /nfs/dbraw/zinc/72/79/38/584727938.db2.gz JJBFUTKQUSFHAI-LLVKDONJSA-N 1 2 240.310 2.289 20 30 BEEDLO N#CCC[N@@H+](Cc1ccnc(F)c1)CC1CC1 ZINC000859155590 589011059 /nfs/dbraw/zinc/01/10/59/589011059.db2.gz SIGQQVRCRSRBTP-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO N#CCC[N@H+](Cc1ccnc(F)c1)CC1CC1 ZINC000859155590 589011060 /nfs/dbraw/zinc/01/10/60/589011060.db2.gz SIGQQVRCRSRBTP-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)CCC(=O)C(C)(C)C ZINC000753737163 584905696 /nfs/dbraw/zinc/90/56/96/584905696.db2.gz FOIYBXMITNSGSJ-JTQLQIEISA-N 1 2 210.321 2.226 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)CCC(=O)C(C)(C)C ZINC000753737163 584905697 /nfs/dbraw/zinc/90/56/97/584905697.db2.gz FOIYBXMITNSGSJ-JTQLQIEISA-N 1 2 210.321 2.226 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)CCC(=O)C(C)(C)C ZINC000753737164 584905746 /nfs/dbraw/zinc/90/57/46/584905746.db2.gz FOIYBXMITNSGSJ-SNVBAGLBSA-N 1 2 210.321 2.226 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)CCC(=O)C(C)(C)C ZINC000753737164 584905747 /nfs/dbraw/zinc/90/57/47/584905747.db2.gz FOIYBXMITNSGSJ-SNVBAGLBSA-N 1 2 210.321 2.226 20 30 BEEDLO C[C@@H]1CCCCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753935741 584911168 /nfs/dbraw/zinc/91/11/68/584911168.db2.gz PISSLFQFHVECGB-WXHSDQCUSA-N 1 2 248.374 2.413 20 30 BEEDLO CC[C@H]1CCC[C@H](C=[NH+]n2ccnn2)C1 ZINC000835011900 584917977 /nfs/dbraw/zinc/91/79/77/584917977.db2.gz RFAFHHGFOVKUJB-QWRGUYRKSA-N 1 2 206.293 2.328 20 30 BEEDLO Cc1ccc(CCC=NOC[C@@H]2CCOC2)c[nH+]1 ZINC000788032768 584922551 /nfs/dbraw/zinc/92/25/51/584922551.db2.gz DCRBMMPLYGFOJV-CQSZACIVSA-N 1 2 248.326 2.362 20 30 BEEDLO O=C1c2ccccc2OCC/C1=C\c1[nH]cc[nH+]1 ZINC000731159985 584923012 /nfs/dbraw/zinc/92/30/12/584923012.db2.gz ZUOATZCGOHAGGN-MDZDMXLPSA-N 1 2 240.262 2.459 20 30 BEEDLO O=C1c2ccc(O)cc2CC/C1=C\c1[nH]cc[nH+]1 ZINC000731159838 584923058 /nfs/dbraw/zinc/92/30/58/584923058.db2.gz XUJCGAMOXCUQTR-CSKARUKUSA-N 1 2 240.262 2.328 20 30 BEEDLO CC(C)n1cc(C(=O)/C=C/c2[nH]cc[nH+]2)cn1 ZINC000731159414 584923144 /nfs/dbraw/zinc/92/31/44/584923144.db2.gz QLRXTCRPLXXAEO-ONEGZZNKSA-N 1 2 230.271 2.083 20 30 BEEDLO C#Cc1cccc(N(C)Cc2[nH+]ccn2C)c1 ZINC000103146244 585063013 /nfs/dbraw/zinc/06/30/13/585063013.db2.gz SNFGINMPPRWPFN-UHFFFAOYSA-N 1 2 225.295 2.038 20 30 BEEDLO C#CC[C@@H]([NH2+][C@H](C)CCCCC=C)C(=O)OC ZINC000839167600 585095230 /nfs/dbraw/zinc/09/52/30/585095230.db2.gz GQSMHRMZEGDONH-CHWSQXEVSA-N 1 2 237.343 2.276 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H]1CCCCC1(C)C)C(=O)OC ZINC000839166831 585095310 /nfs/dbraw/zinc/09/53/10/585095310.db2.gz BGKNRCDEYAMFME-NWDGAFQWSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@@H]([NH2+][C@H](C)CCCCCC)C(=O)OC ZINC000839167647 585095331 /nfs/dbraw/zinc/09/53/31/585095331.db2.gz FWGOUIPKVNSBCD-CHWSQXEVSA-N 1 2 239.359 2.500 20 30 BEEDLO C#CC[C@H]([NH2+]C[C@H]1C(C)=CCC[C@@H]1C)C(=O)OC ZINC000839166811 585095470 /nfs/dbraw/zinc/09/54/70/585095470.db2.gz AQSWXOMSGRBABD-IHRRRGAJSA-N 1 2 249.354 2.133 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](C)CCCCCC)C(=O)OC ZINC000839167650 585095798 /nfs/dbraw/zinc/09/57/98/585095798.db2.gz FWGOUIPKVNSBCD-STQMWFEESA-N 1 2 239.359 2.500 20 30 BEEDLO C#CC[C@H]([NH2+]C1CCC(C)(C)CC1)C(=O)OC ZINC000839168644 585095866 /nfs/dbraw/zinc/09/58/66/585095866.db2.gz MEHBVZWUMSZKIJ-LBPRGKRZSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C(=O)OC ZINC000839170343 585096043 /nfs/dbraw/zinc/09/60/43/585096043.db2.gz ZVCJHYFADOHNKH-MJBXVCDLSA-N 1 2 249.354 2.110 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(CC)s1 ZINC000839186360 585096999 /nfs/dbraw/zinc/09/69/99/585096999.db2.gz JKJCQWZWWPQTBX-LLVKDONJSA-N 1 2 235.352 2.145 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(CC)s1 ZINC000839186360 585097000 /nfs/dbraw/zinc/09/70/00/585097000.db2.gz JKJCQWZWWPQTBX-LLVKDONJSA-N 1 2 235.352 2.145 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000839186324 585097091 /nfs/dbraw/zinc/09/70/91/585097091.db2.gz HPQYRRNHBNGDGQ-MRXNPFEDSA-N 1 2 241.334 2.009 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000839186324 585097092 /nfs/dbraw/zinc/09/70/92/585097092.db2.gz HPQYRRNHBNGDGQ-MRXNPFEDSA-N 1 2 241.334 2.009 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1c(C)cccc1C ZINC000839196357 585098831 /nfs/dbraw/zinc/09/88/31/585098831.db2.gz FDFSZLVHIPRSLN-CQSZACIVSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1c(C)cccc1C ZINC000839196357 585098832 /nfs/dbraw/zinc/09/88/32/585098832.db2.gz FDFSZLVHIPRSLN-CQSZACIVSA-N 1 2 229.323 2.137 20 30 BEEDLO O=C1c2cccc(O)c2CC/C1=C/c1[nH]cc[nH+]1 ZINC000742435057 585126421 /nfs/dbraw/zinc/12/64/21/585126421.db2.gz PODSFNXVPVUIFG-HJWRWDBZSA-N 1 2 240.262 2.328 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cc(C)ccc1OC ZINC000743852292 585140589 /nfs/dbraw/zinc/14/05/89/585140589.db2.gz KQDYUNORTPJPFK-UHFFFAOYSA-N 1 2 241.334 2.462 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cc(C)ccc1OC ZINC000743852292 585140590 /nfs/dbraw/zinc/14/05/90/585140590.db2.gz KQDYUNORTPJPFK-UHFFFAOYSA-N 1 2 241.334 2.462 20 30 BEEDLO C=CC[N@H+](Cc1nnc(C)n1C1CC1)C(C)C ZINC000749905042 585208022 /nfs/dbraw/zinc/20/80/22/585208022.db2.gz UOAIKJLXXZFEKS-UHFFFAOYSA-N 1 2 234.347 2.318 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(C)n1C1CC1)C(C)C ZINC000749905042 585208023 /nfs/dbraw/zinc/20/80/23/585208023.db2.gz UOAIKJLXXZFEKS-UHFFFAOYSA-N 1 2 234.347 2.318 20 30 BEEDLO C=C(Cl)C[N@H+]1CCOC[C@@]1(C)CC ZINC000839531036 585210500 /nfs/dbraw/zinc/21/05/00/585210500.db2.gz BEMSLVDQUKQOQV-SNVBAGLBSA-N 1 2 203.713 2.240 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCOC[C@@]1(C)CC ZINC000839531036 585210501 /nfs/dbraw/zinc/21/05/01/585210501.db2.gz BEMSLVDQUKQOQV-SNVBAGLBSA-N 1 2 203.713 2.240 20 30 BEEDLO Cn1c[nH+]cc1CON=Cc1cccc(F)c1 ZINC000753118722 585253728 /nfs/dbraw/zinc/25/37/28/585253728.db2.gz UIVBQBIYRPUDCU-UHFFFAOYSA-N 1 2 233.246 2.110 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)CCC(=O)C(C)(C)C ZINC000753709217 585266668 /nfs/dbraw/zinc/26/66/68/585266668.db2.gz HYSJJRIVQSEDOG-SNVBAGLBSA-N 1 2 210.321 2.083 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)CCC(=O)C(C)(C)C ZINC000753709217 585266669 /nfs/dbraw/zinc/26/66/69/585266669.db2.gz HYSJJRIVQSEDOG-SNVBAGLBSA-N 1 2 210.321 2.083 20 30 BEEDLO CCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000754277011 585281766 /nfs/dbraw/zinc/28/17/66/585281766.db2.gz WXYBBEPSXAIEEI-UHFFFAOYSA-N 1 2 212.680 2.387 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNc1cccc(C)c1 ZINC000755465406 585300230 /nfs/dbraw/zinc/30/02/30/585300230.db2.gz JNJSXISERBLMNS-UHFFFAOYSA-N 1 2 214.272 2.473 20 30 BEEDLO CCc1ccccc1NN=Cc1c[nH+]cn1C ZINC000755643463 585303255 /nfs/dbraw/zinc/30/32/55/585303255.db2.gz REMBWZXGPLDTOO-UHFFFAOYSA-N 1 2 228.299 2.429 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNCc1ccccc1Cl ZINC000755662146 585303700 /nfs/dbraw/zinc/30/37/00/585303700.db2.gz XUDFTVCVPABWEK-UHFFFAOYSA-N 1 2 248.717 2.495 20 30 BEEDLO C[C@@H](NN=Cc1c[nH+]cn1C)c1ccccc1 ZINC000755663732 585303824 /nfs/dbraw/zinc/30/38/24/585303824.db2.gz DSFLNHMOMBNJHZ-LLVKDONJSA-N 1 2 228.299 2.105 20 30 BEEDLO C=C(C)[C@@H](C)OC(=O)Cc1cn2ccccc2[nH+]1 ZINC000755987526 585311844 /nfs/dbraw/zinc/31/18/44/585311844.db2.gz AHQBPQDAVZJJEJ-LLVKDONJSA-N 1 2 244.294 2.385 20 30 BEEDLO Oc1cccc(/C=[NH+]\C[C@@H]2CCCS2)c1O ZINC000756772653 585323011 /nfs/dbraw/zinc/32/30/11/585323011.db2.gz PBMXBXBJWOXCAX-BNDQCTAISA-N 1 2 237.324 2.412 20 30 BEEDLO C#CCCCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000758852721 585360836 /nfs/dbraw/zinc/36/08/36/585360836.db2.gz COLZBWVNWUAOTC-UHFFFAOYSA-N 1 2 245.326 2.198 20 30 BEEDLO C#CC[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC000759559581 585375188 /nfs/dbraw/zinc/37/51/88/585375188.db2.gz UDLKXCOUSVLUPC-UHFFFAOYSA-N 1 2 228.217 2.165 20 30 BEEDLO C#CC[N@H+](C)Cc1ncccc1C(F)(F)F ZINC000759559581 585375189 /nfs/dbraw/zinc/37/51/89/585375189.db2.gz UDLKXCOUSVLUPC-UHFFFAOYSA-N 1 2 228.217 2.165 20 30 BEEDLO CCOC(=O)C[C@@H](C)/[NH+]=C\c1ccccc1O ZINC000760212126 585386817 /nfs/dbraw/zinc/38/68/17/585386817.db2.gz IFPURLVLAPHRHX-AHEVQNHNSA-N 1 2 235.283 2.153 20 30 BEEDLO C#CCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000760352374 585391216 /nfs/dbraw/zinc/39/12/16/585391216.db2.gz IEZWSCPVWALDNL-UHFFFAOYSA-N 1 2 212.252 2.274 20 30 BEEDLO N#CCC[C@H](C#N)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000761114721 585410625 /nfs/dbraw/zinc/41/06/25/585410625.db2.gz NZEVNHRTKRMUQK-SNVBAGLBSA-N 1 2 239.269 2.161 20 30 BEEDLO c1cn(-c2ccc(N=NC3CCCC3)nn2)c[nH+]1 ZINC000761836321 585419700 /nfs/dbraw/zinc/41/97/00/585419700.db2.gz SBCQPLDVFDNQNC-UHFFFAOYSA-N 1 2 242.286 2.004 20 30 BEEDLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(F)cc1C#N ZINC000762317376 585430793 /nfs/dbraw/zinc/43/07/93/585430793.db2.gz UCHUWFZOZIMZSA-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO CC#CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000764465139 585465905 /nfs/dbraw/zinc/46/59/05/585465905.db2.gz YUASRLASUXZXMH-UHFFFAOYSA-N 1 2 225.251 2.039 20 30 BEEDLO N#CC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000769192103 585550906 /nfs/dbraw/zinc/55/09/06/585550906.db2.gz CUHNCJPKTORBGU-UHFFFAOYSA-N 1 2 231.299 2.288 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(Cl)o1 ZINC000769446787 585556575 /nfs/dbraw/zinc/55/65/75/585556575.db2.gz ARSIZOWXGALGTH-UHFFFAOYSA-N 1 2 221.687 2.392 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(Cl)o1 ZINC000769446787 585556576 /nfs/dbraw/zinc/55/65/76/585556576.db2.gz ARSIZOWXGALGTH-UHFFFAOYSA-N 1 2 221.687 2.392 20 30 BEEDLO CCOC(=O)C1(C/[NH+]=C\c2ccccc2O)CC1 ZINC000769718141 585562552 /nfs/dbraw/zinc/56/25/52/585562552.db2.gz HRAIWOXASIUKHF-DHDCSXOGSA-N 1 2 247.294 2.154 20 30 BEEDLO C=CC[N@H+](CN1C(=O)[C@@H]2CCCCC[C@@H]21)C1CC1 ZINC000771641744 585598336 /nfs/dbraw/zinc/59/83/36/585598336.db2.gz ZHUSBKSLMWUODN-KGLIPLIRSA-N 1 2 248.370 2.385 20 30 BEEDLO C=CC[N@@H+](CN1C(=O)[C@@H]2CCCCC[C@@H]21)C1CC1 ZINC000771641744 585598337 /nfs/dbraw/zinc/59/83/37/585598337.db2.gz ZHUSBKSLMWUODN-KGLIPLIRSA-N 1 2 248.370 2.385 20 30 BEEDLO C=C(C)CO[NH+]=C(N)Cc1cccs1 ZINC000771655159 585598620 /nfs/dbraw/zinc/59/86/20/585598620.db2.gz XQSALZARGQNXRX-UHFFFAOYSA-N 1 2 210.302 2.365 20 30 BEEDLO C#C[C@@H](Nc1cc[nH+]c(C(C)C)n1)[C@@H]1CCCO1 ZINC000772252711 585611048 /nfs/dbraw/zinc/61/10/48/585611048.db2.gz BZOXWNOJAPWZOG-NEPJUHHUSA-N 1 2 245.326 2.193 20 30 BEEDLO Cc1[nH+]c[nH]c1CN=Nc1nccnc1C(C)C ZINC000773093044 585631146 /nfs/dbraw/zinc/63/11/46/585631146.db2.gz IZNXPXBRZLJTNP-UHFFFAOYSA-N 1 2 244.302 2.078 20 30 BEEDLO C#CCCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000773373668 585635599 /nfs/dbraw/zinc/63/55/99/585635599.db2.gz DAMMVJMSYYQYLR-UHFFFAOYSA-N 1 2 241.294 2.466 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1cccc(C)c1O ZINC000775676962 585682775 /nfs/dbraw/zinc/68/27/75/585682775.db2.gz DFSBHRUOCIISIM-UHFFFAOYSA-N 1 2 248.326 2.063 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1cccc(C)c1O ZINC000775676962 585682776 /nfs/dbraw/zinc/68/27/76/585682776.db2.gz DFSBHRUOCIISIM-UHFFFAOYSA-N 1 2 248.326 2.063 20 30 BEEDLO C#CCC[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000776021283 585689464 /nfs/dbraw/zinc/68/94/64/585689464.db2.gz LQSVZHKNDJHWJA-RYUDHWBXSA-N 1 2 239.359 2.356 20 30 BEEDLO Cc1cc[nH+]cc1CCC=NNCC(F)F ZINC000776730215 585703651 /nfs/dbraw/zinc/70/36/51/585703651.db2.gz QRLCSYHKZUFDSN-UHFFFAOYSA-N 1 2 227.258 2.163 20 30 BEEDLO CCOCCON=CCCc1c[nH+]ccc1C ZINC000776734104 585703655 /nfs/dbraw/zinc/70/36/55/585703655.db2.gz OTBUTZHYEIVIBZ-UHFFFAOYSA-N 1 2 236.315 2.362 20 30 BEEDLO C=C(CC)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000778985468 585743473 /nfs/dbraw/zinc/74/34/73/585743473.db2.gz HAVBJBQYRHAKHO-UHFFFAOYSA-N 1 2 227.739 2.472 20 30 BEEDLO C=C(CC)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000778985468 585743474 /nfs/dbraw/zinc/74/34/74/585743474.db2.gz HAVBJBQYRHAKHO-UHFFFAOYSA-N 1 2 227.739 2.472 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNc1ccc2n[nH]cc2c1 ZINC000779820879 585767140 /nfs/dbraw/zinc/76/71/40/585767140.db2.gz PFKFSEFVHYNUCE-UHFFFAOYSA-N 1 2 240.270 2.040 20 30 BEEDLO C=C(C)CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783149766 585828419 /nfs/dbraw/zinc/82/84/19/585828419.db2.gz UIOXRVJJAQQQJK-UHFFFAOYSA-N 1 2 222.263 2.443 20 30 BEEDLO C=CCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783162049 585828670 /nfs/dbraw/zinc/82/86/70/585828670.db2.gz YWPOYPRKKOUDSO-UHFFFAOYSA-N 1 2 208.236 2.053 20 30 BEEDLO NC(=[NH+]OCCC1CC1)c1ccc(F)cc1 ZINC000783554960 585836767 /nfs/dbraw/zinc/83/67/67/585836767.db2.gz JUVWYKBDIQKFKT-UHFFFAOYSA-N 1 2 222.263 2.263 20 30 BEEDLO Oc1ccccc1/C=[NH+]/CC[C@@H]1CCOC1 ZINC000783686126 585840041 /nfs/dbraw/zinc/84/00/41/585840041.db2.gz XNQFVFDRYYAJHE-ZECSTPGPSA-N 1 2 219.284 2.238 20 30 BEEDLO C#CCCCCCC(=O)OCCCn1cc[nH+]c1 ZINC000784614750 585864820 /nfs/dbraw/zinc/86/48/20/585864820.db2.gz FIPUYVZSYQCKGM-UHFFFAOYSA-N 1 2 248.326 2.400 20 30 BEEDLO C=C(Cl)COC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785734103 585879140 /nfs/dbraw/zinc/87/91/40/585879140.db2.gz RFYOLAZBLBAXPX-UWVGGRQHSA-N 1 2 231.723 2.155 20 30 BEEDLO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@](F)(C#N)C2)CCO1 ZINC000786579342 585895247 /nfs/dbraw/zinc/89/52/47/585895247.db2.gz PLDNMPUTGDYKHI-UPJWGTAASA-N 1 2 240.322 2.129 20 30 BEEDLO CC[C@@H]1C[C@H](C[N@H+]2CC[C@](F)(C#N)C2)CCO1 ZINC000786579342 585895248 /nfs/dbraw/zinc/89/52/48/585895248.db2.gz PLDNMPUTGDYKHI-UPJWGTAASA-N 1 2 240.322 2.129 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1cccc2[nH]ccc21 ZINC000790299680 585962622 /nfs/dbraw/zinc/96/26/22/585962622.db2.gz IHWORZSRTOCITH-UHFFFAOYSA-N 1 2 239.282 2.347 20 30 BEEDLO Cc1cccc(C=[NH+][N-]c2[nH+]ccn2C)c1C ZINC000790300278 585962817 /nfs/dbraw/zinc/96/28/17/585962817.db2.gz QLEWWDGBXFHJDO-UHFFFAOYSA-N 1 2 228.299 2.483 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1ccc(C)cc1O ZINC000790300403 585962843 /nfs/dbraw/zinc/96/28/43/585962843.db2.gz XODKZSVNKWRNCE-UHFFFAOYSA-N 1 2 244.298 2.270 20 30 BEEDLO COc1ccccc1C(C)=NNc1[nH+]ccn1C ZINC000790301737 585962905 /nfs/dbraw/zinc/96/29/05/585962905.db2.gz IGYSEUHKAJCIPF-UHFFFAOYSA-N 1 2 244.298 2.265 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NN[C@H](C)C(C)(C)C ZINC000793113408 586010680 /nfs/dbraw/zinc/01/06/80/586010680.db2.gz DJGGBICEIXXMFA-SECBINFHSA-N 1 2 208.309 2.076 20 30 BEEDLO N#Cc1cccc(C2([NH2+]Cc3c[nH]cn3)CC2)c1 ZINC000796448783 586103106 /nfs/dbraw/zinc/10/31/06/586103106.db2.gz HWPAHCSYWRLKJO-UHFFFAOYSA-N 1 2 238.294 2.060 20 30 BEEDLO CC(C)n1cc(C(=O)/C=C\c2cn(C)c[nH+]2)cn1 ZINC000798231610 586141202 /nfs/dbraw/zinc/14/12/02/586141202.db2.gz PCNLUWHYJSAULU-PLNGDYQASA-N 1 2 244.298 2.094 20 30 BEEDLO C=CC[C@H](CC)NC(=O)c1cccc2[nH+]ccn21 ZINC000798554990 586144759 /nfs/dbraw/zinc/14/47/59/586144759.db2.gz WYKNXRMADYUGQQ-NSHDSACASA-N 1 2 243.310 2.419 20 30 BEEDLO N#CC1(C[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000798955384 586154125 /nfs/dbraw/zinc/15/41/25/586154125.db2.gz PFLDHRXSIOTQJP-LBPRGKRZSA-N 1 2 227.311 2.352 20 30 BEEDLO C=C1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000799122855 586159502 /nfs/dbraw/zinc/15/95/02/586159502.db2.gz YOZCIESBCOFLBO-UHFFFAOYSA-N 1 2 223.707 2.282 20 30 BEEDLO N#Cc1ccccc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000799498190 586181670 /nfs/dbraw/zinc/18/16/70/586181670.db2.gz GXGTUSSGCPITCH-AATRIKPKSA-N 1 2 223.235 2.177 20 30 BEEDLO CC(C)(C#N)CCO[NH+]=C(N)c1ccccc1 ZINC000799960027 586203833 /nfs/dbraw/zinc/20/38/33/586203833.db2.gz NYHMVDOTEMPZSE-UHFFFAOYSA-N 1 2 231.299 2.473 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000800329339 586212534 /nfs/dbraw/zinc/21/25/34/586212534.db2.gz IWBKGXJDRZJCPE-BXUZGUMPSA-N 1 2 245.322 2.333 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000800329339 586212535 /nfs/dbraw/zinc/21/25/35/586212535.db2.gz IWBKGXJDRZJCPE-BXUZGUMPSA-N 1 2 245.322 2.333 20 30 BEEDLO Cc1cccc2c1O/C(=C/c1cn(C)c[nH+]1)C2=O ZINC000800794067 586229034 /nfs/dbraw/zinc/22/90/34/586229034.db2.gz VHNWYBOXXBSTAH-WUXMJOGZSA-N 1 2 240.262 2.345 20 30 BEEDLO COc1ccsc1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000800794365 586229108 /nfs/dbraw/zinc/22/91/08/586229108.db2.gz DBYKWXZHUXZCDW-ONEGZZNKSA-N 1 2 248.307 2.386 20 30 BEEDLO C1[C@@H]2[C@H]1CCCC2N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000800815382 586232000 /nfs/dbraw/zinc/23/20/00/586232000.db2.gz WNEKFFQYZGOBJP-XKAARJIMSA-N 1 2 246.358 2.022 20 30 BEEDLO CC(=NOCCC(F)(F)F)c1cn(C)c(C)[nH+]1 ZINC000800816195 586232186 /nfs/dbraw/zinc/23/21/86/586232186.db2.gz DTOPKWOJXKHINC-UHFFFAOYSA-N 1 2 249.236 2.422 20 30 BEEDLO C#CCC[NH2+][C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000859551010 589044511 /nfs/dbraw/zinc/04/45/11/589044511.db2.gz NPXNKFWHBLGTMS-CQSZACIVSA-N 1 2 237.343 2.111 20 30 BEEDLO C#CCC[NH2+][C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000859551009 589044603 /nfs/dbraw/zinc/04/46/03/589044603.db2.gz NPXNKFWHBLGTMS-AWEZNQCLSA-N 1 2 237.343 2.111 20 30 BEEDLO C=C(C)CNN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000811651246 586563239 /nfs/dbraw/zinc/56/32/39/586563239.db2.gz NQKRLTCSMZUAMH-UHFFFAOYSA-N 1 2 246.339 2.433 20 30 BEEDLO Cc1cc(C)cc(N[NH+]=Cc2cn(C)[nH]c2=O)c1 ZINC000814215202 586617863 /nfs/dbraw/zinc/61/78/63/586617863.db2.gz MGGYRRIARDRSMF-UHFFFAOYSA-N 1 2 244.298 2.189 20 30 BEEDLO Cc1cccc(F)c1N[NH+]=Cc1cn(C)[nH]c1=O ZINC000814226495 586618305 /nfs/dbraw/zinc/61/83/05/586618305.db2.gz CXEDKSUVOWDKKX-UHFFFAOYSA-N 1 2 248.261 2.019 20 30 BEEDLO C(=NNc1cc[nH+]c2ccccc12)c1cocn1 ZINC000814841549 586638014 /nfs/dbraw/zinc/63/80/14/586638014.db2.gz QYKRQCNGQWRVKQ-UHFFFAOYSA-N 1 2 238.250 2.091 20 30 BEEDLO CC[C@@H](C)CO[NH+]=C1CCCc2nc(N)ncc21 ZINC000814939490 586655390 /nfs/dbraw/zinc/65/53/90/586655390.db2.gz SBHHUVSQBFYTMH-SECBINFHSA-N 1 2 248.330 2.162 20 30 BEEDLO C[N@H+](CCF)Cc1ccc(C#N)cc1F ZINC000816640681 586748095 /nfs/dbraw/zinc/74/80/95/586748095.db2.gz SDQCSQZXARSMIV-UHFFFAOYSA-N 1 2 210.227 2.099 20 30 BEEDLO C[N@@H+](CCF)Cc1ccc(C#N)cc1F ZINC000816640681 586748096 /nfs/dbraw/zinc/74/80/96/586748096.db2.gz SDQCSQZXARSMIV-UHFFFAOYSA-N 1 2 210.227 2.099 20 30 BEEDLO Oc1cccc(/C=[NH+]\CCCC2(O)CCC2)c1O ZINC000817708426 586818793 /nfs/dbraw/zinc/81/87/93/586818793.db2.gz XNVYPHFOSYKPQQ-GDNBJRDFSA-N 1 2 249.310 2.212 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819775805 586992730 /nfs/dbraw/zinc/99/27/30/586992730.db2.gz JLWMBFSBQLCSDX-IUCAKERBSA-N 1 2 226.345 2.196 20 30 BEEDLO C=CCC(C)(C)CNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000820501034 587051657 /nfs/dbraw/zinc/05/16/57/587051657.db2.gz MEYXVXLSTRDHQM-VOTSOKGWSA-N 1 2 247.342 2.152 20 30 BEEDLO C=C(C)C(C)(C)C(=O)OCCCn1cc[nH+]c1 ZINC000821448666 587120102 /nfs/dbraw/zinc/12/01/02/587120102.db2.gz XVCFHLOGPCDGQT-UHFFFAOYSA-N 1 2 236.315 2.419 20 30 BEEDLO C=CCCCCCNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000824276233 587264746 /nfs/dbraw/zinc/26/47/46/587264746.db2.gz WXCWZXWVLCDBHR-HJWRWDBZSA-N 1 2 247.342 2.296 20 30 BEEDLO C#CC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000826578514 587355604 /nfs/dbraw/zinc/35/56/04/587355604.db2.gz FTZTUAXBWULBMK-LBPRGKRZSA-N 1 2 215.300 2.025 20 30 BEEDLO CC(C)CC(=O)CC[N@H+](C)[C@@H](C)CC#N ZINC000827995488 587416069 /nfs/dbraw/zinc/41/60/69/587416069.db2.gz DYWBTTJYHWTDPW-NSHDSACASA-N 1 2 210.321 2.226 20 30 BEEDLO CC(C)CC(=O)CC[N@@H+](C)[C@@H](C)CC#N ZINC000827995488 587416070 /nfs/dbraw/zinc/41/60/70/587416070.db2.gz DYWBTTJYHWTDPW-NSHDSACASA-N 1 2 210.321 2.226 20 30 BEEDLO Cc1ccc(C#N)c(N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000828358807 587438330 /nfs/dbraw/zinc/43/83/30/587438330.db2.gz UWBCILSWAYLNIW-LLVKDONJSA-N 1 2 239.282 2.015 20 30 BEEDLO C=CCCCCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000828453522 587442713 /nfs/dbraw/zinc/44/27/13/587442713.db2.gz FUPNIDTUAPWKQT-UHFFFAOYSA-N 1 2 235.331 2.157 20 30 BEEDLO Cc1ccc(NC(=O)C#CC(C)C)c(N(C)C)[nH+]1 ZINC000830888950 587575062 /nfs/dbraw/zinc/57/50/62/587575062.db2.gz CHXRADQLGYJJHR-UHFFFAOYSA-N 1 2 245.326 2.054 20 30 BEEDLO Cc1cc2[nH+]cn(CN(C)CC#N)c2cc1C ZINC000101536638 587759693 /nfs/dbraw/zinc/75/96/93/587759693.db2.gz RYMHQRZACYPJCW-UHFFFAOYSA-N 1 2 228.299 2.066 20 30 BEEDLO C=CCCC[NH2+]c1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000834664274 587763364 /nfs/dbraw/zinc/76/33/64/587763364.db2.gz NOQAYNQMTNOMPD-CQSZACIVSA-N 1 2 246.310 2.290 20 30 BEEDLO C[C@H](C=[NH+]n1ccnn1)CCc1ccccc1 ZINC000835011103 587777844 /nfs/dbraw/zinc/77/78/44/587777844.db2.gz BFBRRCWAYPSAQM-LBPRGKRZSA-N 1 2 228.299 2.381 20 30 BEEDLO C=CC(C)(C)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000835290337 587794851 /nfs/dbraw/zinc/79/48/51/587794851.db2.gz RGFKDCYCECTAEL-UHFFFAOYSA-N 1 2 248.326 2.403 20 30 BEEDLO C=CCCCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000837597801 587884898 /nfs/dbraw/zinc/88/48/98/587884898.db2.gz YEMHUXUTTGWPLR-UHFFFAOYSA-N 1 2 248.326 2.496 20 30 BEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C#CC(C)(C)C ZINC000837688601 587890846 /nfs/dbraw/zinc/89/08/46/587890846.db2.gz OUGQWDSHRRQTLE-LLVKDONJSA-N 1 2 247.342 2.130 20 30 BEEDLO COC1(CC/[NH+]=C\c2cccc(O)c2O)CCC1 ZINC000840705997 587917016 /nfs/dbraw/zinc/91/70/16/587917016.db2.gz JWQGJHZVHNADFI-GDNBJRDFSA-N 1 2 249.310 2.476 20 30 BEEDLO C[C@H](Cc1cnn(C)c1)/[NH+]=C\c1ccccc1O ZINC000840711293 587917597 /nfs/dbraw/zinc/91/75/97/587917597.db2.gz YCZWRXIUGRUQEM-PDICVPPASA-N 1 2 243.310 2.176 20 30 BEEDLO COC1CCC(/[NH+]=C\c2cccc(O)c2O)CC1 ZINC000840711880 587917785 /nfs/dbraw/zinc/91/77/85/587917785.db2.gz SYHWQLNGZMBGFX-DHDCSXOGSA-N 1 2 249.310 2.474 20 30 BEEDLO CC(C)(C=NOC1CCCC1)[NH+]1CCOCC1 ZINC000841631024 587961866 /nfs/dbraw/zinc/96/18/66/587961866.db2.gz MEVLIGMAVUPLNY-UHFFFAOYSA-N 1 2 240.347 2.042 20 30 BEEDLO CCn1c[nH+]cc1C=NNCC1CCCC1 ZINC000841639178 587965233 /nfs/dbraw/zinc/96/52/33/587965233.db2.gz MJMRVEHEVISSEL-UHFFFAOYSA-N 1 2 220.320 2.017 20 30 BEEDLO N#CC1(C[NH2+]Cc2cc(F)ncc2F)CCC1 ZINC000841897901 587982692 /nfs/dbraw/zinc/98/26/92/587982692.db2.gz JEOPHIBQZRYZBC-UHFFFAOYSA-N 1 2 237.253 2.143 20 30 BEEDLO CC[C@@H](C/[NH+]=C/c1ccccc1O)C(=O)OC ZINC000843262923 588096161 /nfs/dbraw/zinc/09/61/61/588096161.db2.gz GBUVCSBWOLZTDP-RSYJBZMQSA-N 1 2 235.283 2.010 20 30 BEEDLO C=CC[C@H]1CC[C@]2(C1)[NH2+]C1(CCCC1)C(=O)N2C ZINC000844276503 588179410 /nfs/dbraw/zinc/17/94/10/588179410.db2.gz DXILHLOYBJKHLR-WFASDCNBSA-N 1 2 248.370 2.433 20 30 BEEDLO CC(C)c1nc(C(=O)/C=C/c2[nH]cc[nH+]2)co1 ZINC000844552957 588202073 /nfs/dbraw/zinc/20/20/73/588202073.db2.gz OTFOHLMFUPPLBI-ONEGZZNKSA-N 1 2 231.255 2.417 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1cccc2c1CCC2 ZINC000844592499 588206353 /nfs/dbraw/zinc/20/63/53/588206353.db2.gz DFIDPFKYBPTQPM-UHFFFAOYSA-N 1 2 240.310 2.355 20 30 BEEDLO C=C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)C(=O)OC ZINC000844630408 588211681 /nfs/dbraw/zinc/21/16/81/588211681.db2.gz HHOQVUNSVXNMIS-LSJOCFKGSA-N 1 2 249.713 2.008 20 30 BEEDLO C=C(CC)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845286538 588224988 /nfs/dbraw/zinc/22/49/88/588224988.db2.gz XUIILYIWOVMNAV-NSHDSACASA-N 1 2 222.288 2.344 20 30 BEEDLO C[C@@H](CC(=O)OCCCCC#N)n1cc[nH+]c1 ZINC000845281354 588225155 /nfs/dbraw/zinc/22/51/55/588225155.db2.gz NIXJAAFTHNRZKO-NSHDSACASA-N 1 2 235.287 2.071 20 30 BEEDLO C=C(C)[C@@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845513703 588231547 /nfs/dbraw/zinc/23/15/47/588231547.db2.gz GTFNWXHTJRFJOF-LLVKDONJSA-N 1 2 248.326 2.270 20 30 BEEDLO C[C@@H](CC(=O)OCC(C)(C)CC#N)n1cc[nH+]c1 ZINC000845517346 588231607 /nfs/dbraw/zinc/23/16/07/588231607.db2.gz NBGRGEQPRXOOIG-NSHDSACASA-N 1 2 249.314 2.317 20 30 BEEDLO C=C(C)[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845514228 588231664 /nfs/dbraw/zinc/23/16/64/588231664.db2.gz LCCOIYZCHMZDNP-QWRGUYRKSA-N 1 2 222.288 2.342 20 30 BEEDLO C#CCC[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845598539 588234766 /nfs/dbraw/zinc/23/47/66/588234766.db2.gz PDEFIWNVCZZIQO-RYUDHWBXSA-N 1 2 234.299 2.179 20 30 BEEDLO C=C[C@@H](C)ONC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000845620677 588237191 /nfs/dbraw/zinc/23/71/91/588237191.db2.gz VNZXWHFYDDXBSP-LLVKDONJSA-N 1 2 249.314 2.004 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc2c1CCC2 ZINC000845979930 588252572 /nfs/dbraw/zinc/25/25/72/588252572.db2.gz CGTGNOAOYIEVLW-OAHLLOKOSA-N 1 2 241.334 2.009 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc2c1CCC2 ZINC000845979930 588252573 /nfs/dbraw/zinc/25/25/73/588252573.db2.gz CGTGNOAOYIEVLW-OAHLLOKOSA-N 1 2 241.334 2.009 20 30 BEEDLO CCC(=NNCCCn1cc[nH+]c1)[C@H]1C[C@@H]1C ZINC000848416607 588381615 /nfs/dbraw/zinc/38/16/15/588381615.db2.gz QYRHMTQBDFLWNK-RYUDHWBXSA-N 1 2 234.347 2.285 20 30 BEEDLO CC1(C)CCC1=NNCCCn1cc[nH+]c1 ZINC000848417229 588381824 /nfs/dbraw/zinc/38/18/24/588381824.db2.gz QGOVFRATFFQDGK-UHFFFAOYSA-N 1 2 220.320 2.039 20 30 BEEDLO Cc1cccc(C=NNCCCn2cc[nH+]c2)c1 ZINC000848418630 588382114 /nfs/dbraw/zinc/38/21/14/588382114.db2.gz LNTSZXCXMIHGMB-UHFFFAOYSA-N 1 2 242.326 2.205 20 30 BEEDLO CCCC(CC)N=NCCCn1cc[nH+]c1 ZINC000848419161 588382325 /nfs/dbraw/zinc/38/23/25/588382325.db2.gz UTUHWLWEUWPRSM-UHFFFAOYSA-N 1 2 222.336 2.429 20 30 BEEDLO CC[C@@H](C#N)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782842 588413608 /nfs/dbraw/zinc/41/36/08/588413608.db2.gz ONYCMARZALCJIL-NSHDSACASA-N 1 2 243.266 2.102 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000851978951 588650843 /nfs/dbraw/zinc/65/08/43/588650843.db2.gz VIFXJKOKUOOOJE-UHFFFAOYSA-N 1 2 243.228 2.492 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000851978951 588650844 /nfs/dbraw/zinc/65/08/44/588650844.db2.gz VIFXJKOKUOOOJE-UHFFFAOYSA-N 1 2 243.228 2.492 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000852096630 588661774 /nfs/dbraw/zinc/66/17/74/588661774.db2.gz DAIMZKUNYMMZBM-ZDUSSCGKSA-N 1 2 235.331 2.259 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000852102569 588663085 /nfs/dbraw/zinc/66/30/85/588663085.db2.gz ZFPDGWLJGXRTQS-OCCSQVGLSA-N 1 2 239.359 2.356 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(C2CC2)s1 ZINC000852103291 588663505 /nfs/dbraw/zinc/66/35/05/588663505.db2.gz CUEPWNDLTOYWPS-LBPRGKRZSA-N 1 2 235.356 2.307 20 30 BEEDLO CCCCCCC[NH+]1CC(S(=O)(=O)CC)C1 ZINC000852141482 588666765 /nfs/dbraw/zinc/66/67/65/588666765.db2.gz IEPZCGLKYCFONV-UHFFFAOYSA-N 1 2 247.404 2.076 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(F)n1 ZINC000852157464 588667990 /nfs/dbraw/zinc/66/79/90/588667990.db2.gz ZXFQEGQWIPJOFS-SECBINFHSA-N 1 2 207.252 2.003 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](CC)CC(F)F ZINC000852163048 588668445 /nfs/dbraw/zinc/66/84/45/588668445.db2.gz WYLUTXZUMBCHKS-GHMZBOCLSA-N 1 2 231.286 2.002 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](CC)CC(F)F ZINC000852163048 588668446 /nfs/dbraw/zinc/66/84/46/588668446.db2.gz WYLUTXZUMBCHKS-GHMZBOCLSA-N 1 2 231.286 2.002 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1C[C@H](CC)CC(F)F ZINC000852163049 588668500 /nfs/dbraw/zinc/66/85/00/588668500.db2.gz WYLUTXZUMBCHKS-MNOVXSKESA-N 1 2 231.286 2.002 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](CC)CC(F)F ZINC000852163049 588668501 /nfs/dbraw/zinc/66/85/01/588668501.db2.gz WYLUTXZUMBCHKS-MNOVXSKESA-N 1 2 231.286 2.002 20 30 BEEDLO C=CC[N@H+](Cc1ncc(C)s1)[C@H](C)COC ZINC000852357104 588679238 /nfs/dbraw/zinc/67/92/38/588679238.db2.gz XEANKMQIROIYCS-SNVBAGLBSA-N 1 2 240.372 2.474 20 30 BEEDLO C=CC[N@@H+](Cc1ncc(C)s1)[C@H](C)COC ZINC000852357104 588679239 /nfs/dbraw/zinc/67/92/39/588679239.db2.gz XEANKMQIROIYCS-SNVBAGLBSA-N 1 2 240.372 2.474 20 30 BEEDLO C[C@H](C#N)[N@H+](CCCCCCCO)C1CC1 ZINC000852480691 588684408 /nfs/dbraw/zinc/68/44/08/588684408.db2.gz UOPZIUHNRSJCBA-GFCCVEGCSA-N 1 2 224.348 2.306 20 30 BEEDLO C[C@H](C#N)[N@@H+](CCCCCCCO)C1CC1 ZINC000852480691 588684409 /nfs/dbraw/zinc/68/44/09/588684409.db2.gz UOPZIUHNRSJCBA-GFCCVEGCSA-N 1 2 224.348 2.306 20 30 BEEDLO C=CC[N@H+](Cc1cnsn1)C(C)(C)C ZINC000852554412 588689556 /nfs/dbraw/zinc/68/95/56/588689556.db2.gz LSVWCXXMSNGYGT-UHFFFAOYSA-N 1 2 211.334 2.325 20 30 BEEDLO C=CC[N@@H+](Cc1cnsn1)C(C)(C)C ZINC000852554412 588689557 /nfs/dbraw/zinc/68/95/57/588689557.db2.gz LSVWCXXMSNGYGT-UHFFFAOYSA-N 1 2 211.334 2.325 20 30 BEEDLO CC(C)CC(=O)CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000852684082 588695274 /nfs/dbraw/zinc/69/52/74/588695274.db2.gz AWAINZPXJBVCDR-ZDUSSCGKSA-N 1 2 222.332 2.227 20 30 BEEDLO CC(C)CC(=O)CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000852684082 588695275 /nfs/dbraw/zinc/69/52/75/588695275.db2.gz AWAINZPXJBVCDR-ZDUSSCGKSA-N 1 2 222.332 2.227 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000862392307 589207903 /nfs/dbraw/zinc/20/79/03/589207903.db2.gz IWQMGDCEZSBVOF-AWEZNQCLSA-N 1 2 240.306 2.002 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000862392307 589207905 /nfs/dbraw/zinc/20/79/05/589207905.db2.gz IWQMGDCEZSBVOF-AWEZNQCLSA-N 1 2 240.306 2.002 20 30 BEEDLO CN(C)c1c(C=[NH+]NC2CC2)ccc(F)c1F ZINC000863106941 589256755 /nfs/dbraw/zinc/25/67/55/589256755.db2.gz WYIBWSWHAAOADO-UHFFFAOYSA-N 1 2 239.269 2.117 20 30 BEEDLO C[C@H]1C[C@H]1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000863453530 589288492 /nfs/dbraw/zinc/28/84/92/589288492.db2.gz ANSBPXKDNBVILM-WPRPVWTQSA-N 1 2 222.263 2.119 20 30 BEEDLO Cc1cc(C(N)=[NH+]OC[C@H]2C[C@@H]2C)ccc1F ZINC000863455426 589288863 /nfs/dbraw/zinc/28/88/63/589288863.db2.gz HMAQQCWFGHQISW-GZMMTYOYSA-N 1 2 236.290 2.427 20 30 BEEDLO Oc1cccc(/C=[NH+]\CC[C@H]2CCCOC2)c1O ZINC000864344693 589353743 /nfs/dbraw/zinc/35/37/43/589353743.db2.gz FFDCGDYDLBWVMP-PDICVPPASA-N 1 2 249.310 2.333 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865470990 589439058 /nfs/dbraw/zinc/43/90/58/589439058.db2.gz IHCJAPMDOQXSPY-UHFFFAOYSA-N 1 2 211.696 2.060 20 30 BEEDLO C=C[C@H](C)Nc1cc(NCCC)[nH+]cn1 ZINC000865606857 589450393 /nfs/dbraw/zinc/45/03/93/589450393.db2.gz KOHFSJKZUXHAGM-VIFPVBQESA-N 1 2 206.293 2.285 20 30 BEEDLO C=C[C@H](C)Nc1cc(NCCC)nc[nH+]1 ZINC000865606857 589450394 /nfs/dbraw/zinc/45/03/94/589450394.db2.gz KOHFSJKZUXHAGM-VIFPVBQESA-N 1 2 206.293 2.285 20 30 BEEDLO C[C@@H](O)c1ccc(N2CCC(CC#N)CC2)[nH+]c1 ZINC000865668152 589455481 /nfs/dbraw/zinc/45/54/81/589455481.db2.gz CRJQSRCMJSOPPX-LLVKDONJSA-N 1 2 245.326 2.265 20 30 BEEDLO CC(C)(C#N)CNc1cc[nH+]cc1C(F)(F)F ZINC000865668828 589455525 /nfs/dbraw/zinc/45/55/25/589455525.db2.gz RFCQBJJZSUYEFL-UHFFFAOYSA-N 1 2 243.232 2.484 20 30 BEEDLO C#C[C@H](C)N(C)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865731584 589458795 /nfs/dbraw/zinc/45/87/95/589458795.db2.gz SPOOSRGGGFSBPP-ZETCQYMHSA-N 1 2 234.690 2.021 20 30 BEEDLO CCOCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866212872 589480826 /nfs/dbraw/zinc/48/08/26/589480826.db2.gz XFXYCTIBDBFWRQ-LLVKDONJSA-N 1 2 248.326 2.341 20 30 BEEDLO CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866212515 589480884 /nfs/dbraw/zinc/48/08/84/589480884.db2.gz SIULERHEMPMHBR-SECBINFHSA-N 1 2 204.273 2.324 20 30 BEEDLO CO[C@H](C)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866253582 589483299 /nfs/dbraw/zinc/48/32/99/589483299.db2.gz DFFIPUJGBIEVMG-GHMZBOCLSA-N 1 2 248.326 2.339 20 30 BEEDLO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866262647 589483411 /nfs/dbraw/zinc/48/34/11/589483411.db2.gz DQAGIEGICLQMKL-IINYFYTJSA-N 1 2 248.326 2.075 20 30 BEEDLO C#CCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866274930 589483861 /nfs/dbraw/zinc/48/38/61/589483861.db2.gz VSSPJTNWJIVBLI-NSHDSACASA-N 1 2 228.295 2.328 20 30 BEEDLO O=C1OCC[C@H]1CCC/[NH+]=C/c1ccccc1O ZINC000871597635 589771237 /nfs/dbraw/zinc/77/12/37/589771237.db2.gz TXRGYRZPWWEKCO-HGLKBHAMSA-N 1 2 247.294 2.154 20 30 BEEDLO C=C(C)CCO[NH+]=C(N)COC1CCC1 ZINC000871778641 589814161 /nfs/dbraw/zinc/81/41/61/589814161.db2.gz QWVNZASBRWPBLM-UHFFFAOYSA-N 1 2 212.293 2.020 20 30 BEEDLO CCC(CC)CNN=Cc1c[nH]c2nc[nH+]cc12 ZINC000872367000 589922101 /nfs/dbraw/zinc/92/21/01/589922101.db2.gz NNLQWRYLUHOIKN-UHFFFAOYSA-N 1 2 245.330 2.269 20 30 BEEDLO Cc1cccc(N=NCc2cn(C3CC3)c[nH+]2)n1 ZINC000872393529 589931673 /nfs/dbraw/zinc/93/16/73/589931673.db2.gz YXJQYRPXJVKHNS-UHFFFAOYSA-N 1 2 241.298 2.367 20 30 BEEDLO C=CC[C@@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000125234140 590157504 /nfs/dbraw/zinc/15/75/04/590157504.db2.gz ZAKMQEYCGYYFCO-NXEZZACHSA-N 1 2 213.321 2.271 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cc(OC)cnc1F ZINC000876525545 590208570 /nfs/dbraw/zinc/20/85/70/590208570.db2.gz GQMXYEXQWZMLKC-UHFFFAOYSA-N 1 2 236.290 2.403 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000877320370 590315606 /nfs/dbraw/zinc/31/56/06/590315606.db2.gz ZFXMAKHCBINFCF-ZETCQYMHSA-N 1 2 227.670 2.266 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(CCC)nn1 ZINC000877484078 590337675 /nfs/dbraw/zinc/33/76/75/590337675.db2.gz WMDVHQADHNYOAG-CYBMUJFWSA-N 1 2 234.347 2.229 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(CCC)nn1 ZINC000877484078 590337677 /nfs/dbraw/zinc/33/76/77/590337677.db2.gz WMDVHQADHNYOAG-CYBMUJFWSA-N 1 2 234.347 2.229 20 30 BEEDLO N#Cc1cnc(Cl)c(C[NH2+]CC2(C#N)CC2)c1 ZINC000877494185 590340723 /nfs/dbraw/zinc/34/07/23/590340723.db2.gz LQOTVTFQEFRVJL-UHFFFAOYSA-N 1 2 246.701 2.000 20 30 BEEDLO Cc1cccc(O)c1C[NH+]1CC(C)(C#N)C1 ZINC000877580834 590365554 /nfs/dbraw/zinc/36/55/54/590365554.db2.gz ZPVRHYYEJWVTJQ-UHFFFAOYSA-N 1 2 216.284 2.046 20 30 BEEDLO Cc1conc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000877917075 590446487 /nfs/dbraw/zinc/44/64/87/590446487.db2.gz NXXBZOUGHPBPQO-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1conc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000877917075 590446489 /nfs/dbraw/zinc/44/64/89/590446489.db2.gz NXXBZOUGHPBPQO-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@H+](CC)Cc1ccoc1 ZINC000878036509 590477638 /nfs/dbraw/zinc/47/76/38/590477638.db2.gz MMRGIHLNYWVEMS-LBPRGKRZSA-N 1 2 237.299 2.219 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccoc1 ZINC000878036509 590477640 /nfs/dbraw/zinc/47/76/40/590477640.db2.gz MMRGIHLNYWVEMS-LBPRGKRZSA-N 1 2 237.299 2.219 20 30 BEEDLO C=CC[C@H](C(=O)OC)[NH+]1Cc2ccccc2C1 ZINC000878079043 590487895 /nfs/dbraw/zinc/48/78/95/590487895.db2.gz QQYLUGCQGSXATC-CYBMUJFWSA-N 1 2 231.295 2.120 20 30 BEEDLO C#CC[NH+](CC#C)Cc1c(C)cc(C)nc1C ZINC000878151973 590507675 /nfs/dbraw/zinc/50/76/75/590507675.db2.gz FVAIIUWAKVXERV-UHFFFAOYSA-N 1 2 226.323 2.075 20 30 BEEDLO C#CC[N@@H+](CC)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000878167867 590514000 /nfs/dbraw/zinc/51/40/00/590514000.db2.gz ZWEOWFPZQDUEAT-GFCCVEGCSA-N 1 2 237.343 2.062 20 30 BEEDLO C#CC[N@H+](CC)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000878167867 590514003 /nfs/dbraw/zinc/51/40/03/590514003.db2.gz ZWEOWFPZQDUEAT-GFCCVEGCSA-N 1 2 237.343 2.062 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@H+](CC)Cc1ccccn1 ZINC000878186255 590519412 /nfs/dbraw/zinc/51/94/12/590519412.db2.gz RXRWCWZEHCCDBE-CYBMUJFWSA-N 1 2 248.326 2.021 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@@H+](CC)Cc1ccccn1 ZINC000878186255 590519413 /nfs/dbraw/zinc/51/94/13/590519413.db2.gz RXRWCWZEHCCDBE-CYBMUJFWSA-N 1 2 248.326 2.021 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878501943 590581918 /nfs/dbraw/zinc/58/19/18/590581918.db2.gz VKNDUKCNDDMRCK-UHFFFAOYSA-N 1 2 217.190 2.363 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878501943 590581920 /nfs/dbraw/zinc/58/19/20/590581920.db2.gz VKNDUKCNDDMRCK-UHFFFAOYSA-N 1 2 217.190 2.363 20 30 BEEDLO C#CC1CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC000878764241 590620042 /nfs/dbraw/zinc/62/00/42/590620042.db2.gz SFBJOEVSGGONRO-UHFFFAOYSA-N 1 2 245.326 2.182 20 30 BEEDLO C#CC[N@H+](CC#Cc1ccccc1)C1CSC1 ZINC000878910404 590646533 /nfs/dbraw/zinc/64/65/33/590646533.db2.gz UKVYEBVFLPCQLX-UHFFFAOYSA-N 1 2 241.359 2.089 20 30 BEEDLO C#CC[N@@H+](CC#Cc1ccccc1)C1CSC1 ZINC000878910404 590646535 /nfs/dbraw/zinc/64/65/35/590646535.db2.gz UKVYEBVFLPCQLX-UHFFFAOYSA-N 1 2 241.359 2.089 20 30 BEEDLO C[C@H](C#N)[N@H+](CCCOC(F)(F)F)C1CC1 ZINC000878920398 590651184 /nfs/dbraw/zinc/65/11/84/590651184.db2.gz XKTHSUJWJKWLGF-MRVPVSSYSA-N 1 2 236.237 2.289 20 30 BEEDLO C[C@H](C#N)[N@@H+](CCCOC(F)(F)F)C1CC1 ZINC000878920398 590651189 /nfs/dbraw/zinc/65/11/89/590651189.db2.gz XKTHSUJWJKWLGF-MRVPVSSYSA-N 1 2 236.237 2.289 20 30 BEEDLO CC[N@H+](CCCOC(F)(F)F)[C@H](C)C#N ZINC000878988397 590669247 /nfs/dbraw/zinc/66/92/47/590669247.db2.gz OTAJELVXCHHROD-MRVPVSSYSA-N 1 2 224.226 2.147 20 30 BEEDLO CC[N@@H+](CCCOC(F)(F)F)[C@H](C)C#N ZINC000878988397 590669250 /nfs/dbraw/zinc/66/92/50/590669250.db2.gz OTAJELVXCHHROD-MRVPVSSYSA-N 1 2 224.226 2.147 20 30 BEEDLO C[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCC[C@H]1C#N ZINC000879308550 590735539 /nfs/dbraw/zinc/73/55/39/590735539.db2.gz COCMFKPVFPAYNI-GXFFZTMASA-N 1 2 229.283 2.275 20 30 BEEDLO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCC[C@H]1C#N ZINC000879308550 590735540 /nfs/dbraw/zinc/73/55/40/590735540.db2.gz COCMFKPVFPAYNI-GXFFZTMASA-N 1 2 229.283 2.275 20 30 BEEDLO CCC(C)(C)CC[N@@H+](CC#N)CCC(=O)OC ZINC000879471862 590775126 /nfs/dbraw/zinc/77/51/26/590775126.db2.gz HYXJVMLTRCHQPR-UHFFFAOYSA-N 1 2 240.347 2.201 20 30 BEEDLO CCC(C)(C)CC[N@H+](CC#N)CCC(=O)OC ZINC000879471862 590775129 /nfs/dbraw/zinc/77/51/29/590775129.db2.gz HYXJVMLTRCHQPR-UHFFFAOYSA-N 1 2 240.347 2.201 20 30 BEEDLO C#CCC[N@@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879630597 590840379 /nfs/dbraw/zinc/84/03/79/590840379.db2.gz KIPJAXZLMCITSK-OAHLLOKOSA-N 1 2 245.322 2.092 20 30 BEEDLO C#CCC[N@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879630597 590840382 /nfs/dbraw/zinc/84/03/82/590840382.db2.gz KIPJAXZLMCITSK-OAHLLOKOSA-N 1 2 245.322 2.092 20 30 BEEDLO C=CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)OC ZINC000879649734 590841934 /nfs/dbraw/zinc/84/19/34/590841934.db2.gz FFYBPVFHLMBZSY-ZYHUDNBSSA-N 1 2 249.310 2.161 20 30 BEEDLO CC#CC[N@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879735892 590857745 /nfs/dbraw/zinc/85/77/45/590857745.db2.gz CJSNBZMMTFBSGY-OAHLLOKOSA-N 1 2 245.322 2.092 20 30 BEEDLO CC#CC[N@@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879735892 590857746 /nfs/dbraw/zinc/85/77/46/590857746.db2.gz CJSNBZMMTFBSGY-OAHLLOKOSA-N 1 2 245.322 2.092 20 30 BEEDLO Cc1nccnc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000880108521 590927937 /nfs/dbraw/zinc/92/79/37/590927937.db2.gz AOCNFXAZKBSUEE-NSHDSACASA-N 1 2 230.315 2.130 20 30 BEEDLO C=CC(C)(C)CC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000880355585 591009081 /nfs/dbraw/zinc/00/90/81/591009081.db2.gz ULMFHCVPOKZDFC-MRVPVSSYSA-N 1 2 226.345 2.196 20 30 BEEDLO N#CC[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880575092 591097981 /nfs/dbraw/zinc/09/79/81/591097981.db2.gz UNMCTZGVJKWINH-ZDUSSCGKSA-N 1 2 222.332 2.039 20 30 BEEDLO N#CC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880575092 591097983 /nfs/dbraw/zinc/09/79/83/591097983.db2.gz UNMCTZGVJKWINH-ZDUSSCGKSA-N 1 2 222.332 2.039 20 30 BEEDLO C=CC(C)(C)CC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000880722303 591127264 /nfs/dbraw/zinc/12/72/64/591127264.db2.gz MVECPZJPYYRMGE-JTQLQIEISA-N 1 2 235.331 2.200 20 30 BEEDLO C=C1CCN(c2nc[nH+]c(C)c2C)CC1 ZINC000881958762 591284342 /nfs/dbraw/zinc/28/43/42/591284342.db2.gz UZJSGOXQDIERMZ-UHFFFAOYSA-N 1 2 203.289 2.250 20 30 BEEDLO C=CCC[C@@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCO1 ZINC000883187446 591567026 /nfs/dbraw/zinc/56/70/26/591567026.db2.gz OHOGFKZMODVYER-CHWSQXEVSA-N 1 2 235.331 2.013 20 30 BEEDLO C#CC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133874719 591865400 /nfs/dbraw/zinc/86/54/00/591865400.db2.gz LOZNWWMVFRSVOC-UHFFFAOYSA-N 1 2 205.688 2.331 20 30 BEEDLO C#CC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133874719 591865402 /nfs/dbraw/zinc/86/54/02/591865402.db2.gz LOZNWWMVFRSVOC-UHFFFAOYSA-N 1 2 205.688 2.331 20 30 BEEDLO C#CC[C@@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000884594212 591990906 /nfs/dbraw/zinc/99/09/06/591990906.db2.gz CGHCJENLOKSDAB-GFCCVEGCSA-N 1 2 239.322 2.423 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cccnc1[N+](=O)[O-] ZINC000885954083 592114784 /nfs/dbraw/zinc/11/47/84/592114784.db2.gz NBFJCCYXMSYKOU-UHFFFAOYSA-N 1 2 233.271 2.164 20 30 BEEDLO CC1(C)CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)[C@H]1C#N ZINC000886173076 592169154 /nfs/dbraw/zinc/16/91/54/592169154.db2.gz FMMFETFJNWXAFN-KCQAQPDRSA-N 1 2 248.370 2.427 20 30 BEEDLO CC1(C)CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)[C@H]1C#N ZINC000886173076 592169155 /nfs/dbraw/zinc/16/91/55/592169155.db2.gz FMMFETFJNWXAFN-KCQAQPDRSA-N 1 2 248.370 2.427 20 30 BEEDLO CC(C)[C@@H](Cc1ccccc1)[NH2+]CC#N ZINC000886423992 592224244 /nfs/dbraw/zinc/22/42/44/592224244.db2.gz VTEDKBRTMVGMFB-CYBMUJFWSA-N 1 2 202.301 2.367 20 30 BEEDLO C=CCCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000077239054 592319722 /nfs/dbraw/zinc/31/97/22/592319722.db2.gz FBBMYVHKIFFDTE-UHFFFAOYSA-N 1 2 239.344 2.249 20 30 BEEDLO N#CC[N@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC000887037225 592427914 /nfs/dbraw/zinc/42/79/14/592427914.db2.gz XLOLPMAYMCPNFR-ZDUSSCGKSA-N 1 2 236.359 2.450 20 30 BEEDLO N#CC[N@@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC000887037225 592427917 /nfs/dbraw/zinc/42/79/17/592427917.db2.gz XLOLPMAYMCPNFR-ZDUSSCGKSA-N 1 2 236.359 2.450 20 30 BEEDLO C=C/C=C\CC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000887268363 592473465 /nfs/dbraw/zinc/47/34/65/592473465.db2.gz JOMXPERKODXTGA-PFKVQKCNSA-N 1 2 246.310 2.139 20 30 BEEDLO Oc1cccc(/C=[NH+]\CC[C@H]2CCCO2)c1O ZINC000887272384 592474079 /nfs/dbraw/zinc/47/40/79/592474079.db2.gz MQEWCCTYXCYZOW-RLIURORJSA-N 1 2 235.283 2.086 20 30 BEEDLO Oc1ccccc1/C=[NH+]/CC[C@H]1CCCO1 ZINC000887272284 592474715 /nfs/dbraw/zinc/47/47/15/592474715.db2.gz KVLJCNIGNQNMSG-HLVNSREUSA-N 1 2 219.284 2.380 20 30 BEEDLO C=CC[C@@H](CC)Nc1cc(N(C)C)nc[nH+]1 ZINC000893683503 635446242 /nfs/dbraw/zinc/44/62/42/635446242.db2.gz IHZWWJFBPMGCIL-SNVBAGLBSA-N 1 2 220.320 2.309 20 30 BEEDLO C=CC[C@@H](CC)Nc1cc(N(C)C)[nH+]cn1 ZINC000893683503 635446245 /nfs/dbraw/zinc/44/62/45/635446245.db2.gz IHZWWJFBPMGCIL-SNVBAGLBSA-N 1 2 220.320 2.309 20 30 BEEDLO CC[C@@H]([NH2+]C[C@@H](C)OC)c1cccc(C#N)c1O ZINC000926244356 631495385 /nfs/dbraw/zinc/49/53/85/631495385.db2.gz JCCIHIRJNGWJBF-ZWNOBZJWSA-N 1 2 248.326 2.339 20 30 BEEDLO C#CCO[NH+]=C(C)c1ccc(N)cc1Cl ZINC000308815248 631655935 /nfs/dbraw/zinc/65/59/35/631655935.db2.gz DWPSFEKPPVLABY-UHFFFAOYSA-N 1 2 222.675 2.296 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1csnn1 ZINC000934460318 631853609 /nfs/dbraw/zinc/85/36/09/631853609.db2.gz OZTHRHHQSATEOB-DTWKUNHWSA-N 1 2 209.318 2.250 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1csnn1 ZINC000934460318 631853612 /nfs/dbraw/zinc/85/36/12/631853612.db2.gz OZTHRHHQSATEOB-DTWKUNHWSA-N 1 2 209.318 2.250 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1csnn1 ZINC000934460323 631853965 /nfs/dbraw/zinc/85/39/65/631853965.db2.gz OZTHRHHQSATEOB-RKDXNWHRSA-N 1 2 209.318 2.250 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1csnn1 ZINC000934460323 631853969 /nfs/dbraw/zinc/85/39/69/631853969.db2.gz OZTHRHHQSATEOB-RKDXNWHRSA-N 1 2 209.318 2.250 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1ncc(C)s1 ZINC000934514569 631894408 /nfs/dbraw/zinc/89/44/08/631894408.db2.gz KCEHIDSIQUNARV-NSHDSACASA-N 1 2 220.341 2.439 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ncc(C)s1 ZINC000934514569 631894410 /nfs/dbraw/zinc/89/44/10/631894410.db2.gz KCEHIDSIQUNARV-NSHDSACASA-N 1 2 220.341 2.439 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC000934512219 631894739 /nfs/dbraw/zinc/89/47/39/631894739.db2.gz HASQVOPBWMVGMX-CQSZACIVSA-N 1 2 231.343 2.452 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC000934512219 631894740 /nfs/dbraw/zinc/89/47/40/631894740.db2.gz HASQVOPBWMVGMX-CQSZACIVSA-N 1 2 231.343 2.452 20 30 BEEDLO N#CC1(C[NH2+]Cc2cnn(CC3CCC3)c2)CC1 ZINC000894204300 635746418 /nfs/dbraw/zinc/74/64/18/635746418.db2.gz LIWJITMIZNQOHO-UHFFFAOYSA-N 1 2 244.342 2.077 20 30 BEEDLO C#CCOc1cccc(Cl)c1C[NH2+]CCF ZINC000309489865 632419415 /nfs/dbraw/zinc/41/94/15/632419415.db2.gz IDGHVPSZNQSOLY-UHFFFAOYSA-N 1 2 241.693 2.411 20 30 BEEDLO C#CCCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000309849922 632675557 /nfs/dbraw/zinc/67/55/57/632675557.db2.gz IQMCWJOPGBCUIY-UHFFFAOYSA-N 1 2 214.272 2.092 20 30 BEEDLO N#CCc1cc[nH+]c(NCc2ccoc2)c1 ZINC000309483363 633160820 /nfs/dbraw/zinc/16/08/20/633160820.db2.gz FJGIDRJYRWFRRD-UHFFFAOYSA-N 1 2 213.240 2.353 20 30 BEEDLO C=C[C@H](CC)CC(=O)OCCCn1cc[nH+]c1 ZINC000909525990 636168753 /nfs/dbraw/zinc/16/87/53/636168753.db2.gz UFAZAUMASHEODL-GFCCVEGCSA-N 1 2 236.315 2.419 20 30 BEEDLO C=C[C@H](CC)CC(=O)OCc1ccc[nH+]c1N ZINC000909523295 636158243 /nfs/dbraw/zinc/15/82/43/636158243.db2.gz XOBISSLETVHERA-SNVBAGLBSA-N 1 2 234.299 2.309 20 30 BEEDLO CC[C@@H]([NH2+][C@H]1CCOC1)c1cccc(C#N)c1O ZINC000925619005 634173460 /nfs/dbraw/zinc/17/34/60/634173460.db2.gz ZGIRMEQFQBSEOO-WCQYABFASA-N 1 2 246.310 2.093 20 30 BEEDLO N#CCC[N@@H+](Cc1ccc(F)nc1)CC1CC1 ZINC000189329554 634176824 /nfs/dbraw/zinc/17/68/24/634176824.db2.gz XIBLVZHPEXDAII-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO N#CCC[N@H+](Cc1ccc(F)nc1)CC1CC1 ZINC000189329554 634176827 /nfs/dbraw/zinc/17/68/27/634176827.db2.gz XIBLVZHPEXDAII-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO C=CC[C@H]([NH2+]CCc1ccccc1C)C(=O)OC ZINC000905748293 637897479 /nfs/dbraw/zinc/89/74/79/637897479.db2.gz VNPSPEJUMFVAIN-AWEZNQCLSA-N 1 2 247.338 2.245 20 30 BEEDLO C=CC[C@@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC ZINC000905781811 637911100 /nfs/dbraw/zinc/91/11/00/637911100.db2.gz ZQDDUHCOZDXXDO-LLVKDONJSA-N 1 2 223.316 2.026 20 30 BEEDLO C=CC[C@H]([NH2+][C@@H]1C[C@]1(C)C(C)C)C(=O)OC ZINC000905773361 637930019 /nfs/dbraw/zinc/93/00/19/637930019.db2.gz SXNPFPBELUUQAS-DMDPSCGWSA-N 1 2 225.332 2.128 20 30 BEEDLO C=C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906964790 638279492 /nfs/dbraw/zinc/27/94/92/638279492.db2.gz MWLWMGFEDIQAIQ-VIFPVBQESA-N 1 2 218.300 2.311 20 30 BEEDLO Cc1cc(C)c(C(=O)NCC2(C#N)CC2)c(C)[nH+]1 ZINC000907940584 638515891 /nfs/dbraw/zinc/51/58/91/638515891.db2.gz SZYXAWGXVIYCKV-UHFFFAOYSA-N 1 2 243.310 2.040 20 30 BEEDLO C#C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC000907966841 638528908 /nfs/dbraw/zinc/52/89/08/638528908.db2.gz OXGAIDRCJVONIC-ZDUSSCGKSA-N 1 2 244.338 2.394 20 30 BEEDLO Cc1nc(C[N@H+](C)CC2CCC(C#N)CC2)no1 ZINC000930240886 639646271 /nfs/dbraw/zinc/64/62/71/639646271.db2.gz CDMFLXBTSLRZBO-UHFFFAOYSA-N 1 2 248.330 2.140 20 30 BEEDLO Cc1nc(C[N@@H+](C)CC2CCC(C#N)CC2)no1 ZINC000930240886 639646277 /nfs/dbraw/zinc/64/62/77/639646277.db2.gz CDMFLXBTSLRZBO-UHFFFAOYSA-N 1 2 248.330 2.140 20 30 BEEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000912281873 640014884 /nfs/dbraw/zinc/01/48/84/640014884.db2.gz RZGDFZGGJOYALR-WCQYABFASA-N 1 2 247.342 2.203 20 30 BEEDLO C=C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000932040367 640414954 /nfs/dbraw/zinc/41/49/54/640414954.db2.gz WVXBRGDIPVSFHA-UHFFFAOYSA-N 1 2 241.294 2.355 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000932160408 640445703 /nfs/dbraw/zinc/44/57/03/640445703.db2.gz DICNQNRSRIRORA-BXUZGUMPSA-N 1 2 248.301 2.095 20 30 BEEDLO N#C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000932160408 640445711 /nfs/dbraw/zinc/44/57/11/640445711.db2.gz DICNQNRSRIRORA-BXUZGUMPSA-N 1 2 248.301 2.095 20 30 BEEDLO C#CC[N@H+](Cc1nc2c(o1)CCCC2)C(C)C ZINC000932383174 640511201 /nfs/dbraw/zinc/51/12/01/640511201.db2.gz GTFIKETZKYYZOS-UHFFFAOYSA-N 1 2 232.327 2.397 20 30 BEEDLO C#CC[N@@H+](Cc1nc2c(o1)CCCC2)C(C)C ZINC000932383174 640511206 /nfs/dbraw/zinc/51/12/06/640511206.db2.gz GTFIKETZKYYZOS-UHFFFAOYSA-N 1 2 232.327 2.397 20 30 BEEDLO C#CC[N@H+](Cc1csc(C)n1)C(C)C ZINC000932388327 640513435 /nfs/dbraw/zinc/51/34/35/640513435.db2.gz GTVQLCXUZVJUOO-UHFFFAOYSA-N 1 2 208.330 2.295 20 30 BEEDLO C#CC[N@@H+](Cc1csc(C)n1)C(C)C ZINC000932388327 640513442 /nfs/dbraw/zinc/51/34/42/640513442.db2.gz GTVQLCXUZVJUOO-UHFFFAOYSA-N 1 2 208.330 2.295 20 30 BEEDLO C#CC[N@H+](Cc1nnc(-c2ccco2)o1)C(C)C ZINC000932395035 640521172 /nfs/dbraw/zinc/52/11/72/640521172.db2.gz PVXYIUDVAIIFJI-UHFFFAOYSA-N 1 2 245.282 2.173 20 30 BEEDLO C#CC[N@@H+](Cc1nnc(-c2ccco2)o1)C(C)C ZINC000932395035 640521175 /nfs/dbraw/zinc/52/11/75/640521175.db2.gz PVXYIUDVAIIFJI-UHFFFAOYSA-N 1 2 245.282 2.173 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(C)o1)C(C)(C)C ZINC000932462466 640534709 /nfs/dbraw/zinc/53/47/09/640534709.db2.gz ZZKGOPAKUJOBON-UHFFFAOYSA-N 1 2 206.289 2.217 20 30 BEEDLO C#CC[N@H+](Cc1ncc(C)o1)C(C)(C)C ZINC000932462466 640534711 /nfs/dbraw/zinc/53/47/11/640534711.db2.gz ZZKGOPAKUJOBON-UHFFFAOYSA-N 1 2 206.289 2.217 20 30 BEEDLO C=C[C@@H](CC)CC(=O)NCCCCn1cc[nH+]c1 ZINC000932717874 640603728 /nfs/dbraw/zinc/60/37/28/640603728.db2.gz HOHVDSOJSMDHEK-ZDUSSCGKSA-N 1 2 249.358 2.382 20 30 BEEDLO C[C@H]1CCC(=O)C[N@@H+]1CCCC(C)(C)C#N ZINC000932870911 640633182 /nfs/dbraw/zinc/63/31/82/640633182.db2.gz MUFGXBDNLZPMIY-NSHDSACASA-N 1 2 222.332 2.370 20 30 BEEDLO C[C@H]1CCC(=O)C[N@H+]1CCCC(C)(C)C#N ZINC000932870911 640633185 /nfs/dbraw/zinc/63/31/85/640633185.db2.gz MUFGXBDNLZPMIY-NSHDSACASA-N 1 2 222.332 2.370 20 30 BEEDLO CCO[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000932975080 640657643 /nfs/dbraw/zinc/65/76/43/640657643.db2.gz XKYJRAACZPPJQJ-LBPRGKRZSA-N 1 2 248.301 2.308 20 30 BEEDLO CCO[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000932975080 640657649 /nfs/dbraw/zinc/65/76/49/640657649.db2.gz XKYJRAACZPPJQJ-LBPRGKRZSA-N 1 2 248.301 2.308 20 30 BEEDLO C=C(C)CCc1noc([C@H](C)[NH+](C)C)n1 ZINC000349772233 640771976 /nfs/dbraw/zinc/77/19/76/640771976.db2.gz QADQNWAXYIWDOT-VIFPVBQESA-N 1 2 209.293 2.201 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)c1cc(C)[nH]c1C ZINC000934513328 641181899 /nfs/dbraw/zinc/18/18/99/641181899.db2.gz MJLAQAYHLVFRNW-ZDUSSCGKSA-N 1 2 244.338 2.302 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)c1cc(C)[nH]c1C ZINC000934513328 641181906 /nfs/dbraw/zinc/18/19/06/641181906.db2.gz MJLAQAYHLVFRNW-ZDUSSCGKSA-N 1 2 244.338 2.302 20 30 BEEDLO C[C@H]([NH2+]CCC#N)c1cnn(CC2CCC2)c1 ZINC000934554620 641194244 /nfs/dbraw/zinc/19/42/44/641194244.db2.gz VATIAPSTMRKYPP-NSHDSACASA-N 1 2 232.331 2.247 20 30 BEEDLO COCCCCCO[NH+]=C(N)c1ccccc1 ZINC000174068232 641235164 /nfs/dbraw/zinc/23/51/64/641235164.db2.gz YXFRRLKBZQTYDD-UHFFFAOYSA-N 1 2 236.315 2.140 20 30 BEEDLO CC[N@H+](CC#N)CC1CCC(C#N)CC1 ZINC000929464873 641326702 /nfs/dbraw/zinc/32/67/02/641326702.db2.gz SNHIONBNWILPIA-UHFFFAOYSA-N 1 2 205.305 2.162 20 30 BEEDLO CC[N@@H+](CC#N)CC1CCC(C#N)CC1 ZINC000929464873 641326708 /nfs/dbraw/zinc/32/67/08/641326708.db2.gz SNHIONBNWILPIA-UHFFFAOYSA-N 1 2 205.305 2.162 20 30 BEEDLO C=CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC000935223862 641368615 /nfs/dbraw/zinc/36/86/15/641368615.db2.gz CCABHXDQCSCOEK-UHFFFAOYSA-N 1 2 241.294 2.354 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC)[C@@H]1C ZINC000992930867 641678944 /nfs/dbraw/zinc/67/89/44/641678944.db2.gz JFJSJUNYIFSXDJ-QWRGUYRKSA-N 1 2 244.766 2.118 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC)[C@@H]1C ZINC000992930867 641678950 /nfs/dbraw/zinc/67/89/50/641678950.db2.gz JFJSJUNYIFSXDJ-QWRGUYRKSA-N 1 2 244.766 2.118 20 30 BEEDLO C=CC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000189042793 641783418 /nfs/dbraw/zinc/78/34/18/641783418.db2.gz QRMPMBMPHAIUES-UHFFFAOYSA-N 1 2 224.235 2.352 20 30 BEEDLO C=CC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000189042793 641783421 /nfs/dbraw/zinc/78/34/21/641783421.db2.gz QRMPMBMPHAIUES-UHFFFAOYSA-N 1 2 224.235 2.352 20 30 BEEDLO C=C(C)C[N@@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000189523727 641809107 /nfs/dbraw/zinc/80/91/07/641809107.db2.gz QVHQWLHNJVVFLQ-NSHDSACASA-N 1 2 234.347 2.354 20 30 BEEDLO C=C(C)C[N@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000189523727 641809113 /nfs/dbraw/zinc/80/91/13/641809113.db2.gz QVHQWLHNJVVFLQ-NSHDSACASA-N 1 2 234.347 2.354 20 30 BEEDLO C=C(C)C[N@@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000189523711 641809771 /nfs/dbraw/zinc/80/97/71/641809771.db2.gz QVHQWLHNJVVFLQ-LLVKDONJSA-N 1 2 234.347 2.354 20 30 BEEDLO C=C(C)C[N@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000189523711 641809775 /nfs/dbraw/zinc/80/97/75/641809775.db2.gz QVHQWLHNJVVFLQ-LLVKDONJSA-N 1 2 234.347 2.354 20 30 BEEDLO C=C(Br)C[N@H+]1CCC[C@@H](OC)C1 ZINC000076497513 641813602 /nfs/dbraw/zinc/81/36/02/641813602.db2.gz PDMXPSMXWNIDSG-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@@H+]1CCC[C@@H](OC)C1 ZINC000076497513 641813604 /nfs/dbraw/zinc/81/36/04/641813604.db2.gz PDMXPSMXWNIDSG-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC000949689034 641855256 /nfs/dbraw/zinc/85/52/56/641855256.db2.gz JBYYEGZKIKOKEC-AWEZNQCLSA-N 1 2 248.370 2.063 20 30 BEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2CC=CC2)C1 ZINC000949816637 641863174 /nfs/dbraw/zinc/86/31/74/641863174.db2.gz MNGDMMLZUQXZCA-UHFFFAOYSA-N 1 2 248.370 2.061 20 30 BEEDLO CCON=C1CCN(c2cccc[nH+]2)CC1 ZINC000915958206 641888306 /nfs/dbraw/zinc/88/83/06/641888306.db2.gz RTNBUKQDHADXON-UHFFFAOYSA-N 1 2 219.288 2.074 20 30 BEEDLO CCCNN=Cc1ccc(C=[NH+]NCCC)cc1 ZINC000915965558 641893147 /nfs/dbraw/zinc/89/31/47/641893147.db2.gz SPFGOCFGQJCPDO-UHFFFAOYSA-N 1 2 246.358 2.354 20 30 BEEDLO C=CC[N@@H+](Cc1ncc(Cl)n1C)C(C)C ZINC000917069767 642002820 /nfs/dbraw/zinc/00/28/20/642002820.db2.gz VCWLLQBBPREKRM-UHFFFAOYSA-N 1 2 227.739 2.470 20 30 BEEDLO C=CC[N@H+](Cc1ncc(Cl)n1C)C(C)C ZINC000917069767 642002817 /nfs/dbraw/zinc/00/28/17/642002817.db2.gz VCWLLQBBPREKRM-UHFFFAOYSA-N 1 2 227.739 2.470 20 30 BEEDLO C=CC[N@H+](CC(=O)c1cccn1C)C(C)C ZINC000917168690 642025209 /nfs/dbraw/zinc/02/52/09/642025209.db2.gz WMHQVUTVAUHKSS-UHFFFAOYSA-N 1 2 220.316 2.104 20 30 BEEDLO C=CC[N@@H+](CC(=O)c1cccn1C)C(C)C ZINC000917168690 642025217 /nfs/dbraw/zinc/02/52/17/642025217.db2.gz WMHQVUTVAUHKSS-UHFFFAOYSA-N 1 2 220.316 2.104 20 30 BEEDLO C=CC[N@H+](Cn1cccnc1=S)C(C)C ZINC000917481670 642066376 /nfs/dbraw/zinc/06/63/76/642066376.db2.gz UQLDXTNWFVGDFQ-UHFFFAOYSA-N 1 2 223.345 2.466 20 30 BEEDLO C=CC[N@@H+](Cn1cccnc1=S)C(C)C ZINC000917481670 642066378 /nfs/dbraw/zinc/06/63/78/642066378.db2.gz UQLDXTNWFVGDFQ-UHFFFAOYSA-N 1 2 223.345 2.466 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000306332082 642329474 /nfs/dbraw/zinc/32/94/74/642329474.db2.gz DJTHYADQJHSZJV-LPEHRKFASA-N 1 2 203.713 2.237 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000306332082 642329479 /nfs/dbraw/zinc/32/94/79/642329479.db2.gz DJTHYADQJHSZJV-LPEHRKFASA-N 1 2 203.713 2.237 20 30 BEEDLO CCOc1ccc(/C=[NH+]\CCCOC)c(O)c1 ZINC000920946218 642565068 /nfs/dbraw/zinc/56/50/68/642565068.db2.gz TXSNAZXUVOLLDX-UVTDQMKNSA-N 1 2 237.299 2.246 20 30 BEEDLO C#CC[N@@H+](CC(=O)OCC(C)C)C1CCCC1 ZINC000181475287 642876615 /nfs/dbraw/zinc/87/66/15/642876615.db2.gz GNDXFDJOEVTSCP-UHFFFAOYSA-N 1 2 237.343 2.063 20 30 BEEDLO C#CC[N@H+](CC(=O)OCC(C)C)C1CCCC1 ZINC000181475287 642876619 /nfs/dbraw/zinc/87/66/19/642876619.db2.gz GNDXFDJOEVTSCP-UHFFFAOYSA-N 1 2 237.343 2.063 20 30 BEEDLO C#CCON=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000812233904 643235006 /nfs/dbraw/zinc/23/50/06/643235006.db2.gz HGRHPLSJOGOOLJ-UHFFFAOYSA-N 1 2 241.294 2.441 20 30 BEEDLO N#CCC[NH2+]Cc1scnc1C1CC1 ZINC000336657478 643441987 /nfs/dbraw/zinc/44/19/87/643441987.db2.gz PJWSAEUBNRUEOV-UHFFFAOYSA-N 1 2 207.302 2.024 20 30 BEEDLO Cc1cc(C[NH2+]Cc2csc(C#N)c2)on1 ZINC000921688707 643745926 /nfs/dbraw/zinc/74/59/26/643745926.db2.gz BXSQVUFJSCHRJM-UHFFFAOYSA-N 1 2 233.296 2.206 20 30 BEEDLO CCc1cc(C[NH2+]Cc2csc(C#N)c2)on1 ZINC000921770985 643779324 /nfs/dbraw/zinc/77/93/24/643779324.db2.gz NNRCSQSJUSBNFO-UHFFFAOYSA-N 1 2 247.323 2.460 20 30 BEEDLO CCn1ccc(C[NH2+]Cc2csc(C#N)c2)n1 ZINC000922183039 643894652 /nfs/dbraw/zinc/89/46/52/643894652.db2.gz ISDAYTFNAYGQBJ-UHFFFAOYSA-N 1 2 246.339 2.126 20 30 BEEDLO COc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000079828919 644214145 /nfs/dbraw/zinc/21/41/45/644214145.db2.gz KQPCOXLQEGHCLJ-CYBMUJFWSA-N 1 2 230.311 2.431 20 30 BEEDLO COc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000079828919 644214153 /nfs/dbraw/zinc/21/41/53/644214153.db2.gz KQPCOXLQEGHCLJ-CYBMUJFWSA-N 1 2 230.311 2.431 20 30 BEEDLO Oc1ccccc1/C=[NH+]/C[C@H]1CCCOC1 ZINC000193679791 644271985 /nfs/dbraw/zinc/27/19/85/644271985.db2.gz HUYHVHYXPSAUPB-ZECSTPGPSA-N 1 2 219.284 2.238 20 30 BEEDLO N#CC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000195411812 644387604 /nfs/dbraw/zinc/38/76/04/644387604.db2.gz RKEOVAHBYNWMAI-UHFFFAOYSA-N 1 2 235.718 2.471 20 30 BEEDLO C=CCCO[NH+]=C(N)c1ccccc1C ZINC000740872933 644559754 /nfs/dbraw/zinc/55/97/54/644559754.db2.gz XMKYNQBQEOMCPK-UHFFFAOYSA-N 1 2 204.273 2.418 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816568470 644963689 /nfs/dbraw/zinc/96/36/89/644963689.db2.gz HQSAMKWYVQKZKF-ZETCQYMHSA-N 1 2 242.681 2.434 20 30 BEEDLO C=C1CC[NH+](Cc2cncc(C(=O)OC)c2)CC1 ZINC000929602838 646196100 /nfs/dbraw/zinc/19/61/00/646196100.db2.gz DOQXUMNKZQVEMG-UHFFFAOYSA-N 1 2 246.310 2.020 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](C)c1cc(OC)no1 ZINC000925438156 646283347 /nfs/dbraw/zinc/28/33/47/646283347.db2.gz VHYKDCJUXVNVLT-ZETCQYMHSA-N 1 2 216.668 2.086 20 30 BEEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(N)nc1 ZINC000929778393 646304545 /nfs/dbraw/zinc/30/45/45/646304545.db2.gz IPDABBBPAVGEKU-UHFFFAOYSA-N 1 2 246.358 2.426 20 30 BEEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(N)nc1 ZINC000929778393 646304548 /nfs/dbraw/zinc/30/45/48/646304548.db2.gz IPDABBBPAVGEKU-UHFFFAOYSA-N 1 2 246.358 2.426 20 30 BEEDLO Cc1cccc([C@@H](O)C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000929830261 646345892 /nfs/dbraw/zinc/34/58/92/646345892.db2.gz CSURFGPHVOPPSN-JSGCOSHPSA-N 1 2 232.327 2.262 20 30 BEEDLO Cc1cccc([C@@H](O)C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000929830261 646345896 /nfs/dbraw/zinc/34/58/96/646345896.db2.gz CSURFGPHVOPPSN-JSGCOSHPSA-N 1 2 232.327 2.262 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccnn1C1CCC1 ZINC000893606934 711745744 /nfs/dbraw/zinc/74/57/44/711745744.db2.gz TVCHPHHJTHVPKB-LLVKDONJSA-N 1 2 232.331 2.390 20 30 BEEDLO CCCCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000138981772 711837983 /nfs/dbraw/zinc/83/79/83/711837983.db2.gz SQSFOCSUVJZLGH-UHFFFAOYSA-N 1 2 237.347 2.429 20 30 BEEDLO C#CCO[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000378858786 712363358 /nfs/dbraw/zinc/36/33/58/712363358.db2.gz MYKSWNWEBPYFLB-UHFFFAOYSA-N 1 2 222.675 2.296 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)C2CCC=CCC2)C1 ZINC001044305122 710823719 /nfs/dbraw/zinc/82/37/19/710823719.db2.gz GCTSPZICHLZAGO-UHFFFAOYSA-N 1 2 248.370 2.061 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](CC)c1ccn(C)n1 ZINC000388993649 711071936 /nfs/dbraw/zinc/07/19/36/711071936.db2.gz VSQRCZBKGDPIMO-SECBINFHSA-N 1 2 213.712 2.213 20 30 BEEDLO C=C(Cl)C[N@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933246968 711507930 /nfs/dbraw/zinc/50/79/30/711507930.db2.gz OCTCTXBPHHTMPS-GFCCVEGCSA-N 1 2 230.783 2.401 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933246968 711507933 /nfs/dbraw/zinc/50/79/33/711507933.db2.gz OCTCTXBPHHTMPS-GFCCVEGCSA-N 1 2 230.783 2.401 20 30 BEEDLO Cc1cc(C)nc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000723621869 711526750 /nfs/dbraw/zinc/52/67/50/711526750.db2.gz RWVUUBDQEAKRFY-AWEZNQCLSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cc(C)nc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000723621869 711526752 /nfs/dbraw/zinc/52/67/52/711526752.db2.gz RWVUUBDQEAKRFY-AWEZNQCLSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1nc(C#N)n(Cc2cc(C)cc(C)[nH+]2)c1C ZINC000723637526 711528548 /nfs/dbraw/zinc/52/85/48/711528548.db2.gz XHGXBWQRPPSARO-UHFFFAOYSA-N 1 2 240.310 2.432 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1csc(COC)n1 ZINC000934469333 711587806 /nfs/dbraw/zinc/58/78/06/711587806.db2.gz SJTMEZWOGSJLOZ-LLVKDONJSA-N 1 2 238.356 2.440 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1csc(COC)n1 ZINC000934469333 711587807 /nfs/dbraw/zinc/58/78/07/711587807.db2.gz SJTMEZWOGSJLOZ-LLVKDONJSA-N 1 2 238.356 2.440 20 30 BEEDLO Cc1occc1C[N@@H+](C)Cc1cncc(C#N)c1 ZINC000721522956 711617951 /nfs/dbraw/zinc/61/79/51/711617951.db2.gz NVYKBKUBQGHKEE-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1occc1C[N@H+](C)Cc1cncc(C#N)c1 ZINC000721522956 711617952 /nfs/dbraw/zinc/61/79/52/711617952.db2.gz NVYKBKUBQGHKEE-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO CCOCCC/[NH+]=C/c1cc(OC)ccc1O ZINC000072658150 711905511 /nfs/dbraw/zinc/90/55/11/711905511.db2.gz LICHPMIQTCFVOH-GXDHUFHOSA-N 1 2 237.299 2.246 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)C(C)C ZINC000703329451 712070644 /nfs/dbraw/zinc/07/06/44/712070644.db2.gz PKOXZNZYUQXQCW-LLVKDONJSA-N 1 2 239.265 2.418 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065448654 712397269 /nfs/dbraw/zinc/39/72/69/712397269.db2.gz MEUJWZMOWIJVAL-SECBINFHSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065448654 712397271 /nfs/dbraw/zinc/39/72/71/712397271.db2.gz MEUJWZMOWIJVAL-SECBINFHSA-N 1 2 203.713 2.238 20 30 BEEDLO C[N@H+](CCC#N)C[C@@H]1CCCC(C)(C)O1 ZINC000714357779 712483780 /nfs/dbraw/zinc/48/37/80/712483780.db2.gz QVQGQTPRQRIKHS-NSHDSACASA-N 1 2 210.321 2.180 20 30 BEEDLO C[N@@H+](CCC#N)C[C@@H]1CCCC(C)(C)O1 ZINC000714357779 712483781 /nfs/dbraw/zinc/48/37/81/712483781.db2.gz QVQGQTPRQRIKHS-NSHDSACASA-N 1 2 210.321 2.180 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccns1 ZINC000715943481 712544527 /nfs/dbraw/zinc/54/45/27/712544527.db2.gz RMFKPIVBRJUCKJ-QMMMGPOBSA-N 1 2 207.302 2.097 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccc(OC)cc1F ZINC000897168734 963547980 /nfs/dbraw/zinc/54/79/80/963547980.db2.gz DUKSYOIQFRZZOC-UHFFFAOYSA-N 1 2 221.275 2.289 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccc(OC)cc1F ZINC000897168734 963547995 /nfs/dbraw/zinc/54/79/95/963547995.db2.gz DUKSYOIQFRZZOC-UHFFFAOYSA-N 1 2 221.275 2.289 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@@H]1COc2ccccc21 ZINC000070068965 1165911672 /nfs/dbraw/zinc/91/16/72/1165911672.db2.gz NXHIWEIXQNOCDW-CMPLNLGQSA-N 1 2 216.284 2.402 20 30 BEEDLO C#CCCc1[nH]c2ccc(OC)cc2[nH+]1 ZINC001250605112 968150557 /nfs/dbraw/zinc/15/05/57/968150557.db2.gz LWFXRZPAKJEIIR-UHFFFAOYSA-N 1 2 200.241 2.137 20 30 BEEDLO CC1(C)C[C@H](C[N@@H+]2CCC[C@H]2C#N)CCO1 ZINC001207349802 968733077 /nfs/dbraw/zinc/73/30/77/968733077.db2.gz GCNGFDVTJANNMK-NEPJUHHUSA-N 1 2 222.332 2.180 20 30 BEEDLO CC1(C)C[C@H](C[N@H+]2CCC[C@H]2C#N)CCO1 ZINC001207349802 968733093 /nfs/dbraw/zinc/73/30/93/968733093.db2.gz GCNGFDVTJANNMK-NEPJUHHUSA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@H](C#N)[N@@H+](C)C[C@@H]1CCOC(C)(C)C1 ZINC001207365544 968741304 /nfs/dbraw/zinc/74/13/04/968741304.db2.gz MAGIVTKFJFWIPN-GHMZBOCLSA-N 1 2 210.321 2.035 20 30 BEEDLO C[C@H](C#N)[N@H+](C)C[C@@H]1CCOC(C)(C)C1 ZINC001207365544 968741298 /nfs/dbraw/zinc/74/12/98/968741298.db2.gz MAGIVTKFJFWIPN-GHMZBOCLSA-N 1 2 210.321 2.035 20 30 BEEDLO CCC(C#N)(CC)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006345 969328344 /nfs/dbraw/zinc/32/83/44/969328344.db2.gz XPVGQHGGWGBGKE-GHMZBOCLSA-N 1 2 239.319 2.104 20 30 BEEDLO C[C@H]1CC(C[NH+]2CC(C)(C#N)C2)C[C@H](C)O1 ZINC001209377418 969447613 /nfs/dbraw/zinc/44/76/13/969447613.db2.gz BKFADMRCLREYLL-QWRGUYRKSA-N 1 2 222.332 2.035 20 30 BEEDLO N#C[C@H]1CC[C@H]([N@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001254660793 969771724 /nfs/dbraw/zinc/77/17/24/969771724.db2.gz LYGBILDBKPWIMM-NAKRPEOUSA-N 1 2 214.259 2.061 20 30 BEEDLO N#C[C@H]1CC[C@H]([N@@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001254660793 969771727 /nfs/dbraw/zinc/77/17/27/969771727.db2.gz LYGBILDBKPWIMM-NAKRPEOUSA-N 1 2 214.259 2.061 20 30 BEEDLO CC[C@H]1C[C@H]([NH2+]C2(C#N)CCCC2)CCO1 ZINC001170174518 970547451 /nfs/dbraw/zinc/54/74/51/970547451.db2.gz DGNNDXZBYTUFLA-NEPJUHHUSA-N 1 2 222.332 2.370 20 30 BEEDLO CC[NH+](CC)Cc1cc(C#N)ccc1O ZINC000238252733 1166833373 /nfs/dbraw/zinc/83/33/73/1166833373.db2.gz WJCAZDNJSBRRDP-UHFFFAOYSA-N 1 2 204.273 2.106 20 30 BEEDLO CCCC[C@@H](CC)CN1CC[NH2+]C[C@@H]1C#N ZINC000085805120 1167077418 /nfs/dbraw/zinc/07/74/18/1167077418.db2.gz WSHPJNQPRRGNPL-OLZOCXBDSA-N 1 2 223.364 2.000 20 30 BEEDLO C=CCOC1CCC([NH+]2CC(C)(C#N)C2)CC1 ZINC001173322227 975270770 /nfs/dbraw/zinc/27/07/70/975270770.db2.gz ZIGPYSMFAIQRDB-UHFFFAOYSA-N 1 2 234.343 2.346 20 30 BEEDLO CC(C)[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232674407 978236335 /nfs/dbraw/zinc/23/63/35/978236335.db2.gz ZGTPAOJURDWTCH-UHFFFAOYSA-N 1 2 204.273 2.104 20 30 BEEDLO CC(C)[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232674407 978236343 /nfs/dbraw/zinc/23/63/43/978236343.db2.gz ZGTPAOJURDWTCH-UHFFFAOYSA-N 1 2 204.273 2.104 20 30 BEEDLO C=CCCCN(CC)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001342692642 979867949 /nfs/dbraw/zinc/86/79/49/979867949.db2.gz PDNZDBHLWQNTQI-GFCCVEGCSA-N 1 2 235.331 2.259 20 30 BEEDLO CCCC[N@H+](CCC#N)Cc1c[nH]nc1CC ZINC001237653036 980015580 /nfs/dbraw/zinc/01/55/80/980015580.db2.gz CBDWTLMATOMIMZ-UHFFFAOYSA-N 1 2 234.347 2.488 20 30 BEEDLO CCCC[N@@H+](CCC#N)Cc1c[nH]nc1CC ZINC001237653036 980015588 /nfs/dbraw/zinc/01/55/88/980015588.db2.gz CBDWTLMATOMIMZ-UHFFFAOYSA-N 1 2 234.347 2.488 20 30 BEEDLO C=CC[N@@H+](C)Cc1ccc(OC)c(O)c1F ZINC001238372673 980239756 /nfs/dbraw/zinc/23/97/56/980239756.db2.gz DTDDPGAVTBBRDT-UHFFFAOYSA-N 1 2 225.263 2.158 20 30 BEEDLO C=CC[N@H+](C)Cc1ccc(OC)c(O)c1F ZINC001238372673 980239768 /nfs/dbraw/zinc/23/97/68/980239768.db2.gz DTDDPGAVTBBRDT-UHFFFAOYSA-N 1 2 225.263 2.158 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2c(s1)CCC2 ZINC000775183015 980678919 /nfs/dbraw/zinc/67/89/19/980678919.db2.gz FVBMOWNRGJEJRB-SECBINFHSA-N 1 2 220.341 2.085 20 30 BEEDLO C#C[C@H]1CCCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001348237539 981313728 /nfs/dbraw/zinc/31/37/28/981313728.db2.gz YOJNNBJMHPIXFD-NSHDSACASA-N 1 2 218.275 2.379 20 30 BEEDLO C=CCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151976959 1168786248 /nfs/dbraw/zinc/78/62/48/1168786248.db2.gz YBQRVLXKEWMIIJ-UHFFFAOYSA-N 1 2 229.283 2.259 20 30 BEEDLO C#CC[N@H+]1CCC[C@H](Nc2ncccc2Cl)C1 ZINC000884611304 1168974146 /nfs/dbraw/zinc/97/41/46/1168974146.db2.gz JAFDHLYWXBFOEZ-NSHDSACASA-N 1 2 249.745 2.245 20 30 BEEDLO C#CC[N@@H+]1CCC[C@H](Nc2ncccc2Cl)C1 ZINC000884611304 1168974152 /nfs/dbraw/zinc/97/41/52/1168974152.db2.gz JAFDHLYWXBFOEZ-NSHDSACASA-N 1 2 249.745 2.245 20 30 BEEDLO N#Cc1cc(F)cc(Nc2ccc(N)[nH+]c2)c1 ZINC000718564553 1169038649 /nfs/dbraw/zinc/03/86/49/1169038649.db2.gz NCWHRKMTFFXKFG-UHFFFAOYSA-N 1 2 228.230 2.418 20 30 BEEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H]2C)c1=S ZINC001331364466 974696040 /nfs/dbraw/zinc/69/60/40/974696040.db2.gz UYFGXRNMTZFEDF-JTQLQIEISA-N 1 2 238.360 2.042 20 30 BEEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H]2C)c1=S ZINC001331364466 974696044 /nfs/dbraw/zinc/69/60/44/974696044.db2.gz UYFGXRNMTZFEDF-JTQLQIEISA-N 1 2 238.360 2.042 20 30 BEEDLO CC(C)(S)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151976663 1169411603 /nfs/dbraw/zinc/41/16/03/1169411603.db2.gz ONFIYXCKMGGHAQ-UHFFFAOYSA-N 1 2 249.339 2.001 20 30 BEEDLO C#Cc1cc(Nc2ccc(C)c3n[nH]cc32)cc[nH+]1 ZINC001215753785 970827654 /nfs/dbraw/zinc/82/76/54/970827654.db2.gz FJSWGYMVGJMWEP-UHFFFAOYSA-N 1 2 248.289 2.413 20 30 BEEDLO CCOC1CCC([N@@H+]2CCC[C@H]2C#N)CC1 ZINC001256436238 970836825 /nfs/dbraw/zinc/83/68/25/970836825.db2.gz FEZVUAFUANFYOR-CPCZMJQVSA-N 1 2 222.332 2.322 20 30 BEEDLO CCOC1CCC([N@H+]2CCC[C@H]2C#N)CC1 ZINC001256436238 970836831 /nfs/dbraw/zinc/83/68/31/970836831.db2.gz FEZVUAFUANFYOR-CPCZMJQVSA-N 1 2 222.332 2.322 20 30 BEEDLO N#CC1CCC([NH2+]C2(C#N)CCCC2)CC1 ZINC001256957883 971031687 /nfs/dbraw/zinc/03/16/87/971031687.db2.gz KRRQKJPTNYFHIK-UHFFFAOYSA-N 1 2 217.316 2.495 20 30 BEEDLO CC/C=C\CCCCCN1CC[NH2+]C[C@@H]1C#N ZINC001210120931 1169517554 /nfs/dbraw/zinc/51/75/54/1169517554.db2.gz IHXFLLWZPOSANP-NQHOJNORSA-N 1 2 235.375 2.310 20 30 BEEDLO CC1=CC[C@H](CCN2CC[NH2+]C[C@H]2C#N)C1(C)C ZINC001210123113 1169519372 /nfs/dbraw/zinc/51/93/72/1169519372.db2.gz YUNNANLJPVHRMQ-ZIAGYGMSSA-N 1 2 247.386 2.166 20 30 BEEDLO C#Cc1cc(Nc2cc(F)cc(NC)c2)cc[nH+]1 ZINC001216183947 1169542000 /nfs/dbraw/zinc/54/20/00/1169542000.db2.gz GZQVXIZLHDDOCR-UHFFFAOYSA-N 1 2 241.269 2.409 20 30 BEEDLO CCCC(CCC)[NH2+][C@@H](CS)C(=O)OC ZINC001257329382 971225722 /nfs/dbraw/zinc/22/57/22/971225722.db2.gz YMPGVESGIBBVBT-JTQLQIEISA-N 1 2 233.377 2.016 20 30 BEEDLO C#C[C@@](C)(CC)Nc1cc(CC#N)cc[nH+]1 ZINC001158743304 971424673 /nfs/dbraw/zinc/42/46/73/971424673.db2.gz TWSMXCZFTVWSPJ-ZDUSSCGKSA-N 1 2 213.284 2.361 20 30 BEEDLO CC[NH+]1CC(Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225698334 1169594146 /nfs/dbraw/zinc/59/41/46/1169594146.db2.gz SGOONEQUIVWJPC-UHFFFAOYSA-N 1 2 236.702 2.295 20 30 BEEDLO COCc1cc[nH+]c(NCC(C)(C)S)c1 ZINC001159266708 971795403 /nfs/dbraw/zinc/79/54/03/971795403.db2.gz POGWIJDTAAKTKG-UHFFFAOYSA-N 1 2 226.345 2.348 20 30 BEEDLO CC(C)C[C@H](C#N)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172236760 974496732 /nfs/dbraw/zinc/49/67/32/974496732.db2.gz MWQNBPDZOHHXLT-HYWTVENDSA-N 1 2 220.316 2.000 20 30 BEEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172238941 974501298 /nfs/dbraw/zinc/50/12/98/974501298.db2.gz YNNGQGQVOKOVPL-GSPSYOTPSA-N 1 2 234.343 2.390 20 30 BEEDLO CC(C)C[C@H](C#N)[NH2+][C@H]1CCCOCC1 ZINC001170792432 971832506 /nfs/dbraw/zinc/83/25/06/971832506.db2.gz NKJMZZRCZHMAKE-NWDGAFQWSA-N 1 2 210.321 2.083 20 30 BEEDLO CCC(C#N)(CC)[NH2+][C@@H]1CCCOCC1 ZINC001170801141 971843220 /nfs/dbraw/zinc/84/32/20/971843220.db2.gz PKGBKCUCKMYXKW-LLVKDONJSA-N 1 2 210.321 2.227 20 30 BEEDLO CCC(C#N)(CC)[NH2+][C@H]1CCCOCC1 ZINC001170801142 971843935 /nfs/dbraw/zinc/84/39/35/971843935.db2.gz PKGBKCUCKMYXKW-NSHDSACASA-N 1 2 210.321 2.227 20 30 BEEDLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000705284468 957073018 /nfs/dbraw/zinc/07/30/18/957073018.db2.gz CCXILWNJJAXNEC-QMTHXVAHSA-N 1 2 248.301 2.043 20 30 BEEDLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000705284468 957073031 /nfs/dbraw/zinc/07/30/31/957073031.db2.gz CCXILWNJJAXNEC-QMTHXVAHSA-N 1 2 248.301 2.043 20 30 BEEDLO C=CCCCN(CC)C(=O)Cc1[nH]c[nH+]c1C ZINC000890813423 957629623 /nfs/dbraw/zinc/62/96/23/957629623.db2.gz XSSRTTDHMPJYNC-UHFFFAOYSA-N 1 2 235.331 2.075 20 30 BEEDLO C#Cc1cc(Nc2ccnn2C(C)C)cc[nH+]1 ZINC001210510840 957773981 /nfs/dbraw/zinc/77/39/81/957773981.db2.gz AYHOFEIYSGOZDK-UHFFFAOYSA-N 1 2 226.283 2.006 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000306648793 958245230 /nfs/dbraw/zinc/24/52/30/958245230.db2.gz PYCICCNAWUCYMG-VIFPVBQESA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000306648793 958245244 /nfs/dbraw/zinc/24/52/44/958245244.db2.gz PYCICCNAWUCYMG-VIFPVBQESA-N 1 2 203.713 2.238 20 30 BEEDLO N#C[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001137028595 972333163 /nfs/dbraw/zinc/33/31/63/972333163.db2.gz VHCVCCSSXLUVCD-LBPRGKRZSA-N 1 2 228.295 2.062 20 30 BEEDLO N#C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001137028595 972333168 /nfs/dbraw/zinc/33/31/68/972333168.db2.gz VHCVCCSSXLUVCD-LBPRGKRZSA-N 1 2 228.295 2.062 20 30 BEEDLO C#Cc1cc(Nc2cccc(C#N)c2F)cc[nH+]1 ZINC001216412332 958885844 /nfs/dbraw/zinc/88/58/44/958885844.db2.gz AAAQJQJPKMDXCQ-UHFFFAOYSA-N 1 2 237.237 2.239 20 30 BEEDLO CC#CC[C@H](CC)OCCn1cc[nH+]c1 ZINC001222138263 972385617 /nfs/dbraw/zinc/38/56/17/972385617.db2.gz CNHDMFXRHZGEHU-LBPRGKRZSA-N 1 2 206.289 2.092 20 30 BEEDLO C[C@@H](CC(C)(C)S)OCCn1cc[nH+]c1 ZINC001222138738 972390042 /nfs/dbraw/zinc/39/00/42/972390042.db2.gz JMJGIYACZXZJMA-JTQLQIEISA-N 1 2 228.361 2.387 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)CCCCC ZINC001267184197 959083283 /nfs/dbraw/zinc/08/32/83/959083283.db2.gz UQCIPGZHKQMPDB-UHFFFAOYSA-N 1 2 246.782 2.367 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)CCCCC ZINC001267184197 959083315 /nfs/dbraw/zinc/08/33/15/959083315.db2.gz UQCIPGZHKQMPDB-UHFFFAOYSA-N 1 2 246.782 2.367 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@@H](C)CC ZINC001267192656 959116228 /nfs/dbraw/zinc/11/62/28/959116228.db2.gz DMSSQHSFMFUDKF-JTQLQIEISA-N 1 2 246.782 2.223 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@@H](C)CC ZINC001267192656 959116237 /nfs/dbraw/zinc/11/62/37/959116237.db2.gz DMSSQHSFMFUDKF-JTQLQIEISA-N 1 2 246.782 2.223 20 30 BEEDLO C=CC[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC001144008754 972456294 /nfs/dbraw/zinc/45/62/94/972456294.db2.gz SBLLHNBGEFAMIU-JTQLQIEISA-N 1 2 229.283 2.485 20 30 BEEDLO C[C@H](C#N)[N@H+](C)C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724859828 959826191 /nfs/dbraw/zinc/82/61/91/959826191.db2.gz UCXDEOSBXSVFBN-WISYIIOYSA-N 1 2 210.321 2.034 20 30 BEEDLO C[C@H](C#N)[N@@H+](C)C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724859828 959826195 /nfs/dbraw/zinc/82/61/95/959826195.db2.gz UCXDEOSBXSVFBN-WISYIIOYSA-N 1 2 210.321 2.034 20 30 BEEDLO C=CC[C@H](C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001144017341 972483472 /nfs/dbraw/zinc/48/34/72/972483472.db2.gz KHXDPBJEXJQUOP-LBPRGKRZSA-N 1 2 247.342 2.259 20 30 BEEDLO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)ccc1O ZINC001140577347 960439672 /nfs/dbraw/zinc/43/96/72/960439672.db2.gz FXQRLYAOCARJNC-ZDUSSCGKSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)ccc1O ZINC001140577347 960439681 /nfs/dbraw/zinc/43/96/81/960439681.db2.gz FXQRLYAOCARJNC-ZDUSSCGKSA-N 1 2 230.311 2.436 20 30 BEEDLO N#Cc1cccc(C[NH+]2CCC2)c1Cl ZINC001140806835 960606442 /nfs/dbraw/zinc/60/64/42/960606442.db2.gz UFEQOVGFLKYZEF-UHFFFAOYSA-N 1 2 206.676 2.417 20 30 BEEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cnco1)CC2 ZINC001140928879 960699714 /nfs/dbraw/zinc/69/97/14/960699714.db2.gz VGLPKUHAAUSGJC-UHFFFAOYSA-N 1 2 239.278 2.105 20 30 BEEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cnco1)CC2 ZINC001140928879 960699726 /nfs/dbraw/zinc/69/97/26/960699726.db2.gz VGLPKUHAAUSGJC-UHFFFAOYSA-N 1 2 239.278 2.105 20 30 BEEDLO CCCCc1[nH]c(CN2CCC[C@@H](C#N)C2)c[nH+]1 ZINC001141072769 960858276 /nfs/dbraw/zinc/85/82/76/960858276.db2.gz YFUDRWIZTHZFTR-LBPRGKRZSA-N 1 2 246.358 2.488 20 30 BEEDLO CCCCc1[nH]cc(CN2CCC[C@@H](C#N)C2)[nH+]1 ZINC001141072769 960858278 /nfs/dbraw/zinc/85/82/78/960858278.db2.gz YFUDRWIZTHZFTR-LBPRGKRZSA-N 1 2 246.358 2.488 20 30 BEEDLO CCCCc1[nH]c(CN2CCC[C@H](C#N)C2)c[nH+]1 ZINC001141072768 960860880 /nfs/dbraw/zinc/86/08/80/960860880.db2.gz YFUDRWIZTHZFTR-GFCCVEGCSA-N 1 2 246.358 2.488 20 30 BEEDLO CCCCc1[nH]cc(CN2CCC[C@H](C#N)C2)[nH+]1 ZINC001141072768 960860883 /nfs/dbraw/zinc/86/08/83/960860883.db2.gz YFUDRWIZTHZFTR-GFCCVEGCSA-N 1 2 246.358 2.488 20 30 BEEDLO CCCCc1[nH]c(CN2CC[C@@](C)(C#N)C2)c[nH+]1 ZINC001141073575 960861002 /nfs/dbraw/zinc/86/10/02/960861002.db2.gz HYDMOPHVROHTPF-AWEZNQCLSA-N 1 2 246.358 2.488 20 30 BEEDLO CCCCc1[nH]cc(CN2CC[C@@](C)(C#N)C2)[nH+]1 ZINC001141073575 960861005 /nfs/dbraw/zinc/86/10/05/960861005.db2.gz HYDMOPHVROHTPF-AWEZNQCLSA-N 1 2 246.358 2.488 20 30 BEEDLO CCCCc1[nH]c(CN(C)[C@@H](C)C#N)c[nH+]1 ZINC001141074152 960862507 /nfs/dbraw/zinc/86/25/07/960862507.db2.gz ZFTGKRKMQZECEL-JTQLQIEISA-N 1 2 220.320 2.096 20 30 BEEDLO CCCCc1[nH]cc(CN(C)[C@@H](C)C#N)[nH+]1 ZINC001141074152 960862513 /nfs/dbraw/zinc/86/25/13/960862513.db2.gz ZFTGKRKMQZECEL-JTQLQIEISA-N 1 2 220.320 2.096 20 30 BEEDLO C=CC[N@@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141114735 960870358 /nfs/dbraw/zinc/87/03/58/960870358.db2.gz VMDLTWRHAVZMHX-UHFFFAOYSA-N 1 2 241.747 2.473 20 30 BEEDLO C=CC[N@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141114735 960870362 /nfs/dbraw/zinc/87/03/62/960870362.db2.gz VMDLTWRHAVZMHX-UHFFFAOYSA-N 1 2 241.747 2.473 20 30 BEEDLO C[C@H](C#N)N(C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243779 961018284 /nfs/dbraw/zinc/01/82/84/961018284.db2.gz WKDOYLAGFFFVAT-GFCCVEGCSA-N 1 2 240.310 2.216 20 30 BEEDLO Cc1nc(N[C@H]2CC[C@H](C#N)CC2)cc[nH+]1 ZINC001167845079 961250918 /nfs/dbraw/zinc/25/09/18/961250918.db2.gz NKRCBBJIJNQGAP-XYPYZODXSA-N 1 2 216.288 2.279 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cccn3ccnc23)C1 ZINC001142960210 961858429 /nfs/dbraw/zinc/85/84/29/961858429.db2.gz KNCQCEYNXMNQFP-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccn3ccnc23)C1 ZINC001142960210 961858430 /nfs/dbraw/zinc/85/84/30/961858430.db2.gz KNCQCEYNXMNQFP-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO CCCN(CCC#N)Cc1ccc2[nH+]ccn2c1 ZINC001143029247 961871326 /nfs/dbraw/zinc/87/13/26/961871326.db2.gz UOXHRMXYFMJIDB-UHFFFAOYSA-N 1 2 242.326 2.460 20 30 BEEDLO C[N@H+](CCC#N)Cc1ccc2c(c1)CCCO2 ZINC000259002241 962096977 /nfs/dbraw/zinc/09/69/77/962096977.db2.gz ZCOYZKLFDXESCS-UHFFFAOYSA-N 1 2 230.311 2.357 20 30 BEEDLO C[N@@H+](CCC#N)Cc1ccc2c(c1)CCCO2 ZINC000259002241 962096991 /nfs/dbraw/zinc/09/69/91/962096991.db2.gz ZCOYZKLFDXESCS-UHFFFAOYSA-N 1 2 230.311 2.357 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ncccc1OC ZINC001206644530 962497360 /nfs/dbraw/zinc/49/73/60/962497360.db2.gz NRKHAOKZJZMBPK-UHFFFAOYSA-N 1 2 218.300 2.264 20 30 BEEDLO Cc1cc2c(nc[nH+]c2NC2=CC(=O)CCC2)[nH]1 ZINC001155708230 963163148 /nfs/dbraw/zinc/16/31/48/963163148.db2.gz CIWYWWWJFTZANH-UHFFFAOYSA-N 1 2 242.282 2.315 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCCc2nccnc21 ZINC001255160323 1169822008 /nfs/dbraw/zinc/82/20/08/1169822008.db2.gz ILGPDJAYBMNUES-CMPLNLGQSA-N 1 2 230.315 2.136 20 30 BEEDLO C=C(C)C(=O)OCCNc1cccc(C2CC2)[nH+]1 ZINC001157308214 963575871 /nfs/dbraw/zinc/57/58/71/963575871.db2.gz HJFMVAHWZSLVRB-UHFFFAOYSA-N 1 2 246.310 2.490 20 30 BEEDLO CCC(C#N)(CC)[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168101672 963711870 /nfs/dbraw/zinc/71/18/70/963711870.db2.gz IYSXHXZBAXTOHI-MNOVXSKESA-N 1 2 210.321 2.226 20 30 BEEDLO CC1(C)C[C@@H](CNc2cc(CC#N)cc[nH+]2)O1 ZINC001157660663 963694984 /nfs/dbraw/zinc/69/49/84/963694984.db2.gz MLSRZOJJSIZZLU-NSHDSACASA-N 1 2 231.299 2.127 20 30 BEEDLO CC(C)C[C@](C)(C#N)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168100866 963709410 /nfs/dbraw/zinc/70/94/10/963709410.db2.gz FPCNUHMFMZTAIQ-JHJVBQTASA-N 1 2 224.348 2.472 20 30 BEEDLO CCOc1ccc[nH+]c1NCCCS ZINC001159871807 964218731 /nfs/dbraw/zinc/21/87/31/964218731.db2.gz SZDGJRYELCAOCH-UHFFFAOYSA-N 1 2 212.318 2.212 20 30 BEEDLO Cc1cc(NCCCS)nc(C2CC2)[nH+]1 ZINC001159871650 964219757 /nfs/dbraw/zinc/21/97/57/964219757.db2.gz NUIVUJUCGDDVDS-UHFFFAOYSA-N 1 2 223.345 2.394 20 30 BEEDLO C[C@@H]1C[C@@H](Nc2cc(CC#N)cc[nH+]2)CCO1 ZINC001161695061 964691865 /nfs/dbraw/zinc/69/18/65/964691865.db2.gz ZXTMCMMHDQUUGR-PWSUYJOCSA-N 1 2 231.299 2.127 20 30 BEEDLO CNc1ccc(NCC2(C#N)CCC2)c[nH+]1 ZINC001162412442 964969927 /nfs/dbraw/zinc/96/99/27/964969927.db2.gz SFBSPTDOOIVARD-UHFFFAOYSA-N 1 2 216.288 2.229 20 30 BEEDLO C#CC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000046167707 965215306 /nfs/dbraw/zinc/21/53/06/965215306.db2.gz JUESOHORFWYOKT-UHFFFAOYSA-N 1 2 248.757 2.091 20 30 BEEDLO C#C[C@H](C)Nc1cc(CSC)cc[nH+]1 ZINC001163161106 965272491 /nfs/dbraw/zinc/27/24/91/965272491.db2.gz CEXKESPINJSVAT-VIFPVBQESA-N 1 2 206.314 2.378 20 30 BEEDLO Cc1c[nH]c2nc(NC3=CC(=O)CCC3)[nH+]cc12 ZINC001163452246 965406188 /nfs/dbraw/zinc/40/61/88/965406188.db2.gz XKHNHWJOXGRNGU-UHFFFAOYSA-N 1 2 242.282 2.267 20 30 BEEDLO COC(=O)c1[nH+]ccc(NCCCCC#N)c1C ZINC001168433983 965503011 /nfs/dbraw/zinc/50/30/11/965503011.db2.gz MLPKQSFLLUVJSZ-UHFFFAOYSA-N 1 2 247.298 2.282 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cc(CC)no1 ZINC001203224698 965840593 /nfs/dbraw/zinc/84/05/93/965840593.db2.gz BTSAPGGEPHGXJW-UHFFFAOYSA-N 1 2 206.289 2.411 20 30 BEEDLO N#Cc1ccc(SCc2ccc[nH+]c2N)nc1 ZINC001165502979 966108111 /nfs/dbraw/zinc/10/81/11/966108111.db2.gz BQKGJSGHBRRYLQ-UHFFFAOYSA-N 1 2 242.307 2.223 20 30 BEEDLO C#C[C@H]1CCCN(c2[nH+]cc(C)cc2OC)C1 ZINC001167005251 966516665 /nfs/dbraw/zinc/51/66/65/966516665.db2.gz HMWCEMMJRLQKJS-LBPRGKRZSA-N 1 2 230.311 2.248 20 30 BEEDLO C#C[C@H]1CCCN(c2ccc(Cl)c(N)[nH+]2)C1 ZINC001167008229 966519261 /nfs/dbraw/zinc/51/92/61/966519261.db2.gz VIHUGKIECYJPGF-VIFPVBQESA-N 1 2 235.718 2.167 20 30 BEEDLO C#C[C@@H]1CCCN(c2nc(C)[nH+]c3c2CCC3)C1 ZINC001167006554 966519488 /nfs/dbraw/zinc/51/94/88/966519488.db2.gz SJQMWFCJYHMOEL-GFCCVEGCSA-N 1 2 241.338 2.123 20 30 BEEDLO CCCCCCC[N@H+](C)Cc1cnn[nH]1 ZINC001203206283 966547034 /nfs/dbraw/zinc/54/70/34/966547034.db2.gz VIJXVBSOMFINRL-UHFFFAOYSA-N 1 2 210.325 2.207 20 30 BEEDLO CCCCCCC[N@@H+](C)Cc1cnn[nH]1 ZINC001203206283 966547047 /nfs/dbraw/zinc/54/70/47/966547047.db2.gz VIJXVBSOMFINRL-UHFFFAOYSA-N 1 2 210.325 2.207 20 30 BEEDLO CCCCCCC[N@H+](C)Cc1c[nH]nn1 ZINC001203206283 966547052 /nfs/dbraw/zinc/54/70/52/966547052.db2.gz VIJXVBSOMFINRL-UHFFFAOYSA-N 1 2 210.325 2.207 20 30 BEEDLO CCCCCCC[N@@H+](C)Cc1c[nH]nn1 ZINC001203206283 966547061 /nfs/dbraw/zinc/54/70/61/966547061.db2.gz VIJXVBSOMFINRL-UHFFFAOYSA-N 1 2 210.325 2.207 20 30 BEEDLO CNc1ccc(Nc2c(N)cccc2C#N)c[nH+]1 ZINC001203462506 966661049 /nfs/dbraw/zinc/66/10/49/966661049.db2.gz VMUBLNXMBPOWIR-UHFFFAOYSA-N 1 2 239.282 2.321 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(C#N)c1O ZINC000903109017 967073735 /nfs/dbraw/zinc/07/37/35/967073735.db2.gz KIEVPMNSOYDXBF-SNVBAGLBSA-N 1 2 241.294 2.218 20 30 BEEDLO COc1cc(F)c(C)cc1C[NH+]1CC(CC#N)C1 ZINC001250087551 967354238 /nfs/dbraw/zinc/35/42/38/967354238.db2.gz CMCVVIWBCBHDTM-UHFFFAOYSA-N 1 2 248.301 2.488 20 30 BEEDLO Cc1ccc(CCn2cc[nH+]c2)c(C#N)c1 ZINC001250318390 967687426 /nfs/dbraw/zinc/68/74/26/967687426.db2.gz GDSORTWDIQACLV-UHFFFAOYSA-N 1 2 211.268 2.306 20 30 BEEDLO Cc1ccc(C#N)c(CCn2cc[nH+]c2)c1 ZINC001250321290 967700426 /nfs/dbraw/zinc/70/04/26/967700426.db2.gz ZWJCFXXIIHTQRQ-UHFFFAOYSA-N 1 2 211.268 2.306 20 30 BEEDLO CC[C@@H](CO)Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001163045742 967984152 /nfs/dbraw/zinc/98/41/52/967984152.db2.gz UKPLTEMIKJMBNV-LBPRGKRZSA-N 1 2 241.294 2.289 20 30 BEEDLO COc1nscc1C[N@H+](C)[C@H](C)CCC#N ZINC000723214263 968221969 /nfs/dbraw/zinc/22/19/69/968221969.db2.gz HMOVFORAOSCRHZ-SECBINFHSA-N 1 2 239.344 2.276 20 30 BEEDLO COc1nscc1C[N@@H+](C)[C@H](C)CCC#N ZINC000723214263 968221978 /nfs/dbraw/zinc/22/19/78/968221978.db2.gz HMOVFORAOSCRHZ-SECBINFHSA-N 1 2 239.344 2.276 20 30 BEEDLO N#CC[C@H]1CCC[N@@H+](Cc2ncccc2F)C1 ZINC001207032660 968566409 /nfs/dbraw/zinc/56/64/09/968566409.db2.gz LBHAMKRAURYTHR-LLVKDONJSA-N 1 2 233.290 2.346 20 30 BEEDLO N#CC[C@H]1CCC[N@H+](Cc2ncccc2F)C1 ZINC001207032660 968566416 /nfs/dbraw/zinc/56/64/16/968566416.db2.gz LBHAMKRAURYTHR-LLVKDONJSA-N 1 2 233.290 2.346 20 30 BEEDLO CCCC[N@H+](CCC#N)Cc1cc(C#N)n(C)c1 ZINC001207106594 968633407 /nfs/dbraw/zinc/63/34/07/968633407.db2.gz PDWVMIFCTKOTIU-UHFFFAOYSA-N 1 2 244.342 2.413 20 30 BEEDLO CCCC[N@@H+](CCC#N)Cc1cc(C#N)n(C)c1 ZINC001207106594 968633408 /nfs/dbraw/zinc/63/34/08/968633408.db2.gz PDWVMIFCTKOTIU-UHFFFAOYSA-N 1 2 244.342 2.413 20 30 BEEDLO CCn1ccnc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001207146428 968657384 /nfs/dbraw/zinc/65/73/84/968657384.db2.gz QRKBXLFVXRKAGK-LBPRGKRZSA-N 1 2 232.331 2.029 20 30 BEEDLO CCn1ccnc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001207146428 968657387 /nfs/dbraw/zinc/65/73/87/968657387.db2.gz QRKBXLFVXRKAGK-LBPRGKRZSA-N 1 2 232.331 2.029 20 30 BEEDLO COc1ccccc1CC[N@@H+]1CCC[C@H](C#N)C1 ZINC001207459506 968777253 /nfs/dbraw/zinc/77/72/53/968777253.db2.gz WYEKTSFRSNKRML-CYBMUJFWSA-N 1 2 244.338 2.473 20 30 BEEDLO COc1ccccc1CC[N@H+]1CCC[C@H](C#N)C1 ZINC001207459506 968777259 /nfs/dbraw/zinc/77/72/59/968777259.db2.gz WYEKTSFRSNKRML-CYBMUJFWSA-N 1 2 244.338 2.473 20 30 BEEDLO COc1ccccc1CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC001207459621 968780038 /nfs/dbraw/zinc/78/00/38/968780038.db2.gz WYEKTSFRSNKRML-ZDUSSCGKSA-N 1 2 244.338 2.473 20 30 BEEDLO COc1ccccc1CC[N@H+]1CCC[C@@H](C#N)C1 ZINC001207459621 968780044 /nfs/dbraw/zinc/78/00/44/968780044.db2.gz WYEKTSFRSNKRML-ZDUSSCGKSA-N 1 2 244.338 2.473 20 30 BEEDLO C=C[C@](C)(O)CNc1ccc(N2CCCC2)[nH+]c1 ZINC001252545322 968780902 /nfs/dbraw/zinc/78/09/02/968780902.db2.gz HVXRIFQWHUVVQZ-AWEZNQCLSA-N 1 2 247.342 2.031 20 30 BEEDLO C=CCC[C@H](O)CNc1c[nH+]ccc1OCC ZINC001252591118 968847623 /nfs/dbraw/zinc/84/76/23/968847623.db2.gz JWVHWJVFXXJWOA-NSHDSACASA-N 1 2 236.315 2.219 20 30 BEEDLO C=C(C)CNc1cc(CC(=O)OCC)cc[nH+]1 ZINC001155661673 969051496 /nfs/dbraw/zinc/05/14/96/969051496.db2.gz BSAWGSBKYRFDCI-UHFFFAOYSA-N 1 2 234.299 2.175 20 30 BEEDLO CC1=C[C@H](C)[C@H](C[NH+]2CC(C#N)C2)CC1 ZINC001208166122 969101237 /nfs/dbraw/zinc/10/12/37/969101237.db2.gz VVGXYRWITBYQDP-AAEUAGOBSA-N 1 2 204.317 2.434 20 30 BEEDLO CCC(C#N)(CC)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006347 969331823 /nfs/dbraw/zinc/33/18/23/969331823.db2.gz XPVGQHGGWGBGKE-QWRGUYRKSA-N 1 2 239.319 2.104 20 30 BEEDLO C=CCCC[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001209156978 969357080 /nfs/dbraw/zinc/35/70/80/969357080.db2.gz MOOZBFPOILTVJD-JTQLQIEISA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCCC[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001209156978 969357085 /nfs/dbraw/zinc/35/70/85/969357085.db2.gz MOOZBFPOILTVJD-JTQLQIEISA-N 1 2 219.275 2.045 20 30 BEEDLO N#CC1([NH2+]C2CCC(F)(F)CC2)CCOCC1 ZINC001254214531 969540044 /nfs/dbraw/zinc/54/00/44/969540044.db2.gz VVGLPMPNMVCMOT-UHFFFAOYSA-N 1 2 244.285 2.227 20 30 BEEDLO C#C[C@@](C)(CC)Nc1nc(N(C)CC)c(C)c[nH+]1 ZINC001169689571 969811336 /nfs/dbraw/zinc/81/13/36/969811336.db2.gz LMCIQCQKHSIFJG-AWEZNQCLSA-N 1 2 246.358 2.455 20 30 BEEDLO C#C[C@@](C)(CC)Nc1ccn2cc(N)[nH+]c2c1 ZINC001169697932 969816036 /nfs/dbraw/zinc/81/60/36/969816036.db2.gz OOVINSKMQDBKLE-ZDUSSCGKSA-N 1 2 228.299 2.130 20 30 BEEDLO CC#CCC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC001254919477 969820771 /nfs/dbraw/zinc/82/07/71/969820771.db2.gz NURDGAZAQJKQEV-AWEZNQCLSA-N 1 2 245.322 2.246 20 30 BEEDLO CC#CCC[N@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC001254919477 969820774 /nfs/dbraw/zinc/82/07/74/969820774.db2.gz NURDGAZAQJKQEV-AWEZNQCLSA-N 1 2 245.322 2.246 20 30 BEEDLO CO[C@@H](C)CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001169772193 969843995 /nfs/dbraw/zinc/84/39/95/969843995.db2.gz ALLTWGAIZDNYOW-JTQLQIEISA-N 1 2 231.299 2.084 20 30 BEEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1CCOCC1 ZINC001255037124 969858914 /nfs/dbraw/zinc/85/89/14/969858914.db2.gz RXKGANHCVMFDHW-LBPRGKRZSA-N 1 2 210.321 2.083 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCSCC1 ZINC001255080790 969873714 /nfs/dbraw/zinc/87/37/14/969873714.db2.gz DFRMOEXULOUBBB-NSHDSACASA-N 1 2 212.362 2.410 20 30 BEEDLO C#Cc1cc(Nc2cccnc2CC)cc[nH+]1 ZINC001210463340 969894140 /nfs/dbraw/zinc/89/41/40/969894140.db2.gz GRAGYRCIVMOJTC-UHFFFAOYSA-N 1 2 223.279 2.186 20 30 BEEDLO Cc1ccc(O)c(Nc2ccc(O)c(C#N)c2)[nH+]1 ZINC001210526632 969929574 /nfs/dbraw/zinc/92/95/74/969929574.db2.gz BGPBPOVSHVBTPO-UHFFFAOYSA-N 1 2 241.250 2.417 20 30 BEEDLO CC[C@H](CC#N)[N@@H+]1CCOC[C@@H]1C(C)C ZINC001255173332 969985110 /nfs/dbraw/zinc/98/51/10/969985110.db2.gz KLSOIUTVDWJHOW-VXGBXAGGSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[C@H](CC#N)[N@H+]1CCOC[C@@H]1C(C)C ZINC001255173332 969985116 /nfs/dbraw/zinc/98/51/16/969985116.db2.gz KLSOIUTVDWJHOW-VXGBXAGGSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cncn1C1CCC1 ZINC001255162182 969968739 /nfs/dbraw/zinc/96/87/39/969968739.db2.gz JLIOCDXLXXBPJJ-NSHDSACASA-N 1 2 232.331 2.390 20 30 BEEDLO CC[C@H](CC#N)[N@H+](C)C1CC(F)(F)C1 ZINC001255163692 969974298 /nfs/dbraw/zinc/97/42/98/969974298.db2.gz CFYLDZMRLFLZRE-MRVPVSSYSA-N 1 2 202.248 2.408 20 30 BEEDLO CC[C@H](CC#N)[N@@H+](C)C1CC(F)(F)C1 ZINC001255163692 969974308 /nfs/dbraw/zinc/97/43/08/969974308.db2.gz CFYLDZMRLFLZRE-MRVPVSSYSA-N 1 2 202.248 2.408 20 30 BEEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC001255165817 969976440 /nfs/dbraw/zinc/97/64/40/969976440.db2.gz DNRWEQQVROACFV-NWDGAFQWSA-N 1 2 248.330 2.250 20 30 BEEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC001255165817 969976446 /nfs/dbraw/zinc/97/64/46/969976446.db2.gz DNRWEQQVROACFV-NWDGAFQWSA-N 1 2 248.330 2.250 20 30 BEEDLO Cc1cc2[nH]ccc2c(N(C)[C@H](C)C#N)[nH+]1 ZINC001157490317 970378854 /nfs/dbraw/zinc/37/88/54/970378854.db2.gz KXSLRPZEGBGKKU-SECBINFHSA-N 1 2 214.272 2.220 20 30 BEEDLO C[C@@H]1CC[C@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170141786 970417683 /nfs/dbraw/zinc/41/76/83/970417683.db2.gz ZSFSNIFYTFFWSV-ADEWGFFLSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H]1CC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170141786 970417696 /nfs/dbraw/zinc/41/76/96/970417696.db2.gz ZSFSNIFYTFFWSV-ADEWGFFLSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001170141786 970417709 /nfs/dbraw/zinc/41/77/09/970417709.db2.gz ZSFSNIFYTFFWSV-ADEWGFFLSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001170141786 970417736 /nfs/dbraw/zinc/41/77/36/970417736.db2.gz ZSFSNIFYTFFWSV-ADEWGFFLSA-N 1 2 237.368 2.449 20 30 BEEDLO C#Cc1cc(Nc2ccc(N)cc2C)cc[nH+]1 ZINC001214106116 970435759 /nfs/dbraw/zinc/43/57/59/970435759.db2.gz XEFJVOYAUQZDPO-UHFFFAOYSA-N 1 2 223.279 2.119 20 30 BEEDLO CC[C@H]1C[C@@H]([NH2+]C2(C#N)CCCC2)CCO1 ZINC001170174520 970547551 /nfs/dbraw/zinc/54/75/51/970547551.db2.gz DGNNDXZBYTUFLA-RYUDHWBXSA-N 1 2 222.332 2.370 20 30 BEEDLO CC[C@@H]1C[C@@H]([NH2+]C2(C#N)CCCC2)CCO1 ZINC001170174519 970549863 /nfs/dbraw/zinc/54/98/63/970549863.db2.gz DGNNDXZBYTUFLA-NWDGAFQWSA-N 1 2 222.332 2.370 20 30 BEEDLO CC[C@@H]1C[C@H]([NH2+]C2(C#N)CCCC2)CCO1 ZINC001170174521 970550039 /nfs/dbraw/zinc/55/00/39/970550039.db2.gz DGNNDXZBYTUFLA-VXGBXAGGSA-N 1 2 222.332 2.370 20 30 BEEDLO C=CCCCNc1ccn2cc(N)[nH+]c2c1 ZINC001170299667 970679474 /nfs/dbraw/zinc/67/94/74/970679474.db2.gz KJUREHLKVLCZCU-UHFFFAOYSA-N 1 2 216.288 2.295 20 30 BEEDLO CC(C)(S)CNc1ccc2c([nH+]1)CCOC2 ZINC001170302342 970688322 /nfs/dbraw/zinc/68/83/22/970688322.db2.gz GOBNNEPJWDVRMY-UHFFFAOYSA-N 1 2 238.356 2.275 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@H](C)CCC(C)C ZINC001256350764 970744502 /nfs/dbraw/zinc/74/45/02/970744502.db2.gz AKSDNGFKJJYDQK-MNOVXSKESA-N 1 2 247.404 2.262 20 30 BEEDLO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(=O)CC1 ZINC001171203537 972912570 /nfs/dbraw/zinc/91/25/70/972912570.db2.gz NUTNWIHBHZAAHZ-LBPRGKRZSA-N 1 2 242.322 2.154 20 30 BEEDLO CCCCC[C@H](CC)N1CC[NH2+]C[C@@H]1C#N ZINC001246596689 973011018 /nfs/dbraw/zinc/01/10/18/973011018.db2.gz XRANMZXBNAUKLK-STQMWFEESA-N 1 2 223.364 2.143 20 30 BEEDLO C=CCOc1ccccc1COC1C[NH+](C)C1 ZINC001223785869 973273292 /nfs/dbraw/zinc/27/32/92/973273292.db2.gz QBLIUSFPYPUJJF-UHFFFAOYSA-N 1 2 233.311 2.082 20 30 BEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)CCCC ZINC001329385961 973726966 /nfs/dbraw/zinc/72/69/66/973726966.db2.gz KPXFUQNBYLCNEC-LLVKDONJSA-N 1 2 246.782 2.366 20 30 BEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)CCCC ZINC001329385961 973726971 /nfs/dbraw/zinc/72/69/71/973726971.db2.gz KPXFUQNBYLCNEC-LLVKDONJSA-N 1 2 246.782 2.366 20 30 BEEDLO C#C[C@H](Oc1cc[nH+]cc1)c1ccncc1 ZINC001225296435 974375066 /nfs/dbraw/zinc/37/50/66/974375066.db2.gz VLIOMXYBVDURAU-ZDUSSCGKSA-N 1 2 210.236 2.230 20 30 BEEDLO C=CC[C@H]1CCCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001331247411 974658187 /nfs/dbraw/zinc/65/81/87/974658187.db2.gz MHUKIYVVJUYOAU-OLZOCXBDSA-N 1 2 247.342 2.259 20 30 BEEDLO Cc1cc(C)c(C#N)c(OC2C[NH+](C(C)C)C2)n1 ZINC001226092090 974784499 /nfs/dbraw/zinc/78/44/99/974784499.db2.gz VZGLCDDQAQFPAF-UHFFFAOYSA-N 1 2 245.326 2.042 20 30 BEEDLO CC[C@](C)(C#N)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC001172916676 974965415 /nfs/dbraw/zinc/96/54/15/974965415.db2.gz CMTJNQVDGLIVNS-SDDRHHMPSA-N 1 2 210.321 2.226 20 30 BEEDLO N#CC1C[NH+](C2CCC3(CCOCC3)CC2)C1 ZINC001173043755 975013330 /nfs/dbraw/zinc/01/33/30/975013330.db2.gz RHXCONKYZLBLGJ-UHFFFAOYSA-N 1 2 234.343 2.181 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173169418 975060051 /nfs/dbraw/zinc/06/00/51/975060051.db2.gz BMQGJHYYUTWLBI-TUAOUCFPSA-N 1 2 210.321 2.082 20 30 BEEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173170673 975062764 /nfs/dbraw/zinc/06/27/64/975062764.db2.gz FPCNUHMFMZTAIQ-AVGNSLFASA-N 1 2 224.348 2.472 20 30 BEEDLO C[C@H](c1ncccn1)[NH+]1CCC(C)(C#N)CC1 ZINC001332743645 975276196 /nfs/dbraw/zinc/27/61/96/975276196.db2.gz JICWQTGTUDMLIQ-LLVKDONJSA-N 1 2 230.315 2.163 20 30 BEEDLO C[C@H](C#N)[N@H+](C)C1CCC(C)(C#N)CC1 ZINC001173601404 975477927 /nfs/dbraw/zinc/47/79/27/975477927.db2.gz SHFVROPIPFMTJK-VOMCLLRMSA-N 1 2 205.305 2.303 20 30 BEEDLO C[C@H](C#N)[N@@H+](C)C1CCC(C)(C#N)CC1 ZINC001173601404 975477944 /nfs/dbraw/zinc/47/79/44/975477944.db2.gz SHFVROPIPFMTJK-VOMCLLRMSA-N 1 2 205.305 2.303 20 30 BEEDLO C#Cc1cc(Nc2ccc(F)cc2)cc[nH+]1 ZINC001173797470 975634157 /nfs/dbraw/zinc/63/41/57/975634157.db2.gz NRHSAAWQVNRKDC-UHFFFAOYSA-N 1 2 212.227 2.368 20 30 BEEDLO C#Cc1cc(Nc2cccc(F)c2)cc[nH+]1 ZINC001173832580 975854077 /nfs/dbraw/zinc/85/40/77/975854077.db2.gz XNKOJWVCSVHGCO-UHFFFAOYSA-N 1 2 212.227 2.368 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1cn(C(C)C)nn1 ZINC001333937402 976169567 /nfs/dbraw/zinc/16/95/67/976169567.db2.gz APRIFZFDRVCXKA-GFCCVEGCSA-N 1 2 220.320 2.009 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cn(C(C)C)nn1 ZINC001333937402 976169575 /nfs/dbraw/zinc/16/95/75/976169575.db2.gz APRIFZFDRVCXKA-GFCCVEGCSA-N 1 2 220.320 2.009 20 30 BEEDLO C[C@]1(C#N)CCC[N@H+](CCc2ccns2)C1 ZINC001334044160 976243397 /nfs/dbraw/zinc/24/33/97/976243397.db2.gz NQGZRQDHZXJQRQ-GFCCVEGCSA-N 1 2 235.356 2.311 20 30 BEEDLO C[C@]1(C#N)CCC[N@@H+](CCc2ccns2)C1 ZINC001334044160 976243405 /nfs/dbraw/zinc/24/34/05/976243405.db2.gz NQGZRQDHZXJQRQ-GFCCVEGCSA-N 1 2 235.356 2.311 20 30 BEEDLO C#Cc1cc(Nc2ccnc3[nH]ccc32)cc[nH+]1 ZINC001174409409 976696610 /nfs/dbraw/zinc/69/66/10/976696610.db2.gz OFUQCSLGJJWGIR-UHFFFAOYSA-N 1 2 234.262 2.056 20 30 BEEDLO Cc1cnc([NH+]=c2cc[nH]c(C)c2)c(C#N)c1 ZINC001174653574 976941036 /nfs/dbraw/zinc/94/10/36/976941036.db2.gz RKTADDZWAXNSHW-UHFFFAOYSA-N 1 2 224.267 2.131 20 30 BEEDLO Cc1nc(C#N)c(Nc2ccc(N(C)C)[nH+]c2)o1 ZINC001175341483 977362212 /nfs/dbraw/zinc/36/22/12/977362212.db2.gz SPYBKPGUTZAIDD-UHFFFAOYSA-N 1 2 243.270 2.059 20 30 BEEDLO C#Cc1cc(Nc2c3c[nH]nc3ccc2C)cc[nH+]1 ZINC001175524245 977502437 /nfs/dbraw/zinc/50/24/37/977502437.db2.gz AFHYXSPPXMNONH-UHFFFAOYSA-N 1 2 248.289 2.413 20 30 BEEDLO C#Cc1cc(NC=CC(C)(C)C)cc[nH+]1 ZINC001175569503 977557762 /nfs/dbraw/zinc/55/77/62/977557762.db2.gz UJMVZDQLQWAZJM-VQHVLOKHSA-N 1 2 200.285 2.457 20 30 BEEDLO C#Cc1cc(Nc2ccc(OCC)nc2)cc[nH+]1 ZINC001175735598 977668117 /nfs/dbraw/zinc/66/81/17/977668117.db2.gz KFYOSUWFEZHQES-UHFFFAOYSA-N 1 2 239.278 2.022 20 30 BEEDLO C#Cc1cccc(C[NH+]2CC(OCCC)C2)c1 ZINC001231658887 977670967 /nfs/dbraw/zinc/67/09/67/977670967.db2.gz APAFUFODTLMLPY-UHFFFAOYSA-N 1 2 229.323 2.279 20 30 BEEDLO C=CC[N@@H+](C)Cc1cc(Cl)cnc1F ZINC001231995385 977828066 /nfs/dbraw/zinc/82/80/66/977828066.db2.gz PURACZUFPMOLED-UHFFFAOYSA-N 1 2 214.671 2.492 20 30 BEEDLO C=CC[N@H+](C)Cc1cc(Cl)cnc1F ZINC001231995385 977828070 /nfs/dbraw/zinc/82/80/70/977828070.db2.gz PURACZUFPMOLED-UHFFFAOYSA-N 1 2 214.671 2.492 20 30 BEEDLO C#Cc1cc(Nc2cccc3c2OCC3)cc[nH+]1 ZINC001176074439 977867643 /nfs/dbraw/zinc/86/76/43/977867643.db2.gz SRZSSBFQLSHJPA-UHFFFAOYSA-N 1 2 236.274 2.163 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cc3ccncc3[nH]2)C1 ZINC001232096690 977892645 /nfs/dbraw/zinc/89/26/45/977892645.db2.gz ISSHCZVUIQHMIX-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc3ccncc3[nH]2)C1 ZINC001232096690 977892648 /nfs/dbraw/zinc/89/26/48/977892648.db2.gz ISSHCZVUIQHMIX-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cc(F)ccn1 ZINC001232495935 978149598 /nfs/dbraw/zinc/14/95/98/978149598.db2.gz KNUUHSVLTJQBGT-UHFFFAOYSA-N 1 2 206.264 2.395 20 30 BEEDLO C=CCN(C(=O)Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC001176832284 978197218 /nfs/dbraw/zinc/19/72/18/978197218.db2.gz MGCIMOYHQBLMTF-UHFFFAOYSA-N 1 2 247.342 2.300 20 30 BEEDLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673559 978231817 /nfs/dbraw/zinc/23/18/17/978231817.db2.gz JFCURHFJEFPZTE-BXKDBHETSA-N 1 2 234.274 2.196 20 30 BEEDLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673559 978231824 /nfs/dbraw/zinc/23/18/24/978231824.db2.gz JFCURHFJEFPZTE-BXKDBHETSA-N 1 2 234.274 2.196 20 30 BEEDLO N#Cc1ccc(O)c(C[NH+]2C3CCC2CC3)c1 ZINC001232679148 978240850 /nfs/dbraw/zinc/24/08/50/978240850.db2.gz FDFYEPWYCYEKMB-UHFFFAOYSA-N 1 2 228.295 2.391 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001232674832 978244203 /nfs/dbraw/zinc/24/42/03/978244203.db2.gz FPGNIQHTGAFLIE-DRZSPHRISA-N 1 2 246.285 2.054 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001232674832 978244210 /nfs/dbraw/zinc/24/42/10/978244210.db2.gz FPGNIQHTGAFLIE-DRZSPHRISA-N 1 2 246.285 2.054 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cn(CCC)cn1 ZINC001232801237 978289658 /nfs/dbraw/zinc/28/96/58/978289658.db2.gz CPXMMDMTWMXJLH-UHFFFAOYSA-N 1 2 219.332 2.467 20 30 BEEDLO CO[C@@H](C)C1C[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001232892924 978330784 /nfs/dbraw/zinc/33/07/84/978330784.db2.gz BHBXZSPYLVUJNX-JTQLQIEISA-N 1 2 248.301 2.164 20 30 BEEDLO Cc1ccc(C[NH+]2CC3(CSC3)C2)c(C#N)c1 ZINC001232968390 978367418 /nfs/dbraw/zinc/36/74/18/978367418.db2.gz IBAIKXGHWUGQJS-UHFFFAOYSA-N 1 2 244.363 2.416 20 30 BEEDLO N#CCC1C[NH+](Cc2[nH]nc3cc(F)ccc32)C1 ZINC001233122134 978468648 /nfs/dbraw/zinc/46/86/48/978468648.db2.gz UDHFIGGUSVPWFZ-UHFFFAOYSA-N 1 2 244.273 2.047 20 30 BEEDLO C=C(C)CCC(=O)Nc1c(C)c[nH+]cc1C ZINC001338993130 978767847 /nfs/dbraw/zinc/76/78/47/978767847.db2.gz OZFWPBJNLALPRR-UHFFFAOYSA-N 1 2 218.300 2.415 20 30 BEEDLO C=C1CC[NH+](Cc2ccn(CC)n2)CC1 ZINC001180006448 978806143 /nfs/dbraw/zinc/80/61/43/978806143.db2.gz DLQBKEJEFCJOIB-UHFFFAOYSA-N 1 2 205.305 2.055 20 30 BEEDLO C=CCc1cc(F)ccc1C[NH+]1CCOCC1 ZINC001249956466 978821441 /nfs/dbraw/zinc/82/14/41/978821441.db2.gz DNRCLXWLLXPERK-UHFFFAOYSA-N 1 2 235.302 2.386 20 30 BEEDLO C#C[C@@H](C)Oc1ccc(C(=[NH2+])OCC)cc1 ZINC001234585814 978864373 /nfs/dbraw/zinc/86/43/73/978864373.db2.gz QOTYSYFTMWRJAU-SNVBAGLBSA-N 1 2 217.268 2.449 20 30 BEEDLO C=C1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC001339579874 978873656 /nfs/dbraw/zinc/87/36/56/978873656.db2.gz ZBZIZANSTGWIGF-UHFFFAOYSA-N 1 2 230.315 2.207 20 30 BEEDLO C=C1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC001339579874 978873662 /nfs/dbraw/zinc/87/36/62/978873662.db2.gz ZBZIZANSTGWIGF-UHFFFAOYSA-N 1 2 230.315 2.207 20 30 BEEDLO C=CCSCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001180554648 978904948 /nfs/dbraw/zinc/90/49/48/978904948.db2.gz GZDVFCNDGFJULU-UHFFFAOYSA-N 1 2 247.323 2.192 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1ncc(F)cn1 ZINC001235010002 978950528 /nfs/dbraw/zinc/95/05/28/978950528.db2.gz CFRZLAVJMRFLNE-UHFFFAOYSA-N 1 2 209.268 2.014 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1ncc(F)cn1 ZINC001235010002 978950531 /nfs/dbraw/zinc/95/05/31/978950531.db2.gz CFRZLAVJMRFLNE-UHFFFAOYSA-N 1 2 209.268 2.014 20 30 BEEDLO COc1cccc2c1C/C(=C/c1[nH]cc[nH+]1)C2=O ZINC001340315128 979011090 /nfs/dbraw/zinc/01/10/90/979011090.db2.gz QNTRQSRBKNODHI-HJWRWDBZSA-N 1 2 240.262 2.241 20 30 BEEDLO COc1cccc2c1C/C(=C\c1[nH]cc[nH+]1)C2=O ZINC001340315127 979012625 /nfs/dbraw/zinc/01/26/25/979012625.db2.gz QNTRQSRBKNODHI-CMDGGOBGSA-N 1 2 240.262 2.241 20 30 BEEDLO C[C@H]1C[N@H+](Cc2ccccc2CC#N)CCC1=O ZINC001235510354 979059402 /nfs/dbraw/zinc/05/94/02/979059402.db2.gz AIFXBOHWVWURLE-LBPRGKRZSA-N 1 2 242.322 2.164 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2ccccc2CC#N)CCC1=O ZINC001235510354 979059409 /nfs/dbraw/zinc/05/94/09/979059409.db2.gz AIFXBOHWVWURLE-LBPRGKRZSA-N 1 2 242.322 2.164 20 30 BEEDLO C#C[C@@H](C)[NH2+]Cc1nc(Br)cs1 ZINC001181647041 979219559 /nfs/dbraw/zinc/21/95/59/979219559.db2.gz SVRCEXHXUFFFBZ-ZCFIWIBFSA-N 1 2 245.145 2.017 20 30 BEEDLO CCCn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(C)n1 ZINC001183002061 979695751 /nfs/dbraw/zinc/69/57/51/979695751.db2.gz WRNWNGVYIPBZCX-CQSZACIVSA-N 1 2 246.358 2.337 20 30 BEEDLO CCCn1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(C)n1 ZINC001183002061 979695756 /nfs/dbraw/zinc/69/57/56/979695756.db2.gz WRNWNGVYIPBZCX-CQSZACIVSA-N 1 2 246.358 2.337 20 30 BEEDLO CCCCN(CCC#N)Cc1c[nH+]cn1CC ZINC001237589160 979949358 /nfs/dbraw/zinc/94/93/58/979949358.db2.gz APKQXRYEQRHOCH-UHFFFAOYSA-N 1 2 234.347 2.419 20 30 BEEDLO CC1(C)C[NH+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237608165 979969763 /nfs/dbraw/zinc/96/97/63/979969763.db2.gz FCCVOGNXGVQOHM-UHFFFAOYSA-N 1 2 240.310 2.048 20 30 BEEDLO Cc1ccc(O)cc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001238107030 980157567 /nfs/dbraw/zinc/15/75/67/980157567.db2.gz PIXPGWBHBDOSKJ-NSHDSACASA-N 1 2 216.284 2.046 20 30 BEEDLO Cc1ccc(O)cc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001238107030 980157576 /nfs/dbraw/zinc/15/75/76/980157576.db2.gz PIXPGWBHBDOSKJ-NSHDSACASA-N 1 2 216.284 2.046 20 30 BEEDLO Cc1cnc(C[N@@H+]2CC[C@](C)(C#N)C2)c(C)c1 ZINC001238435381 980260310 /nfs/dbraw/zinc/26/03/10/980260310.db2.gz MJXMALVWIQQBKM-CQSZACIVSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cnc(C[N@H+]2CC[C@](C)(C#N)C2)c(C)c1 ZINC001238435381 980260323 /nfs/dbraw/zinc/26/03/23/980260323.db2.gz MJXMALVWIQQBKM-CQSZACIVSA-N 1 2 229.327 2.434 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2c(s1)CCC2 ZINC000775183015 980678912 /nfs/dbraw/zinc/67/89/12/980678912.db2.gz FVBMOWNRGJEJRB-SECBINFHSA-N 1 2 220.341 2.085 20 30 BEEDLO Cc1nc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)no1 ZINC001347237187 981017615 /nfs/dbraw/zinc/01/76/15/981017615.db2.gz FSQMMCGNQSLWBJ-INTQDDNPSA-N 1 2 234.303 2.111 20 30 BEEDLO N#CCc1ccc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240496977 981418992 /nfs/dbraw/zinc/41/89/92/981418992.db2.gz RNIBSKRKHDWEEO-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO C=C[C@H](COC)[NH2+]Cc1nc(Cl)cs1 ZINC001349620695 981597814 /nfs/dbraw/zinc/59/78/14/981597814.db2.gz KMYXHSNVWMDBHA-SSDOTTSWSA-N 1 2 232.736 2.087 20 30 BEEDLO N#Cc1c[nH]c2cc(-c3cc[nH+]c(N)c3)cnc12 ZINC001241169530 982314378 /nfs/dbraw/zinc/31/43/78/982314378.db2.gz DCZYGLWPKGPYIA-UHFFFAOYSA-N 1 2 235.250 2.079 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1csnc1OC ZINC001196293116 982434161 /nfs/dbraw/zinc/43/41/61/982434161.db2.gz GVBWIUJXCTVHIW-UHFFFAOYSA-N 1 2 212.318 2.160 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1csnc1OC ZINC001196293116 982434178 /nfs/dbraw/zinc/43/41/78/982434178.db2.gz GVBWIUJXCTVHIW-UHFFFAOYSA-N 1 2 212.318 2.160 20 30 BEEDLO COc1cc(C#N)ccc1-c1ccc[nH+]c1N ZINC001241402112 982552396 /nfs/dbraw/zinc/55/23/96/982552396.db2.gz KEZRBOAQUKGIBT-UHFFFAOYSA-N 1 2 225.251 2.211 20 30 BEEDLO CSCCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201680695 983389768 /nfs/dbraw/zinc/38/97/68/983389768.db2.gz LIFZHYWUHKNRNI-SNVBAGLBSA-N 1 2 243.397 2.014 20 30 BEEDLO CSCCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201680695 983389773 /nfs/dbraw/zinc/38/97/73/983389773.db2.gz LIFZHYWUHKNRNI-SNVBAGLBSA-N 1 2 243.397 2.014 20 30 BEEDLO N#Cc1ncccc1-c1cc(-n2cc[nH+]c2)ccn1 ZINC001242311809 983543205 /nfs/dbraw/zinc/54/32/05/983543205.db2.gz UQUNSBUOINSBFS-UHFFFAOYSA-N 1 2 247.261 2.201 20 30 BEEDLO C=C[C@](C)(O)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001252539622 983804331 /nfs/dbraw/zinc/80/43/31/983804331.db2.gz WGCROIHNCAAQCC-AWEZNQCLSA-N 1 2 243.310 2.221 20 30 BEEDLO C=C[C@@](C)(O)CNc1[nH]c2cc(C)ccc2[nH+]1 ZINC001252542580 983807444 /nfs/dbraw/zinc/80/74/44/983807444.db2.gz GCQKHHGAXIWVME-CYBMUJFWSA-N 1 2 231.299 2.220 20 30 BEEDLO N#Cc1cc(F)ccc1-c1ccc[nH+]c1N ZINC001242582555 983885899 /nfs/dbraw/zinc/88/58/99/983885899.db2.gz DEZUWIJWICVEKO-UHFFFAOYSA-N 1 2 213.215 2.342 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc(F)cc1C#N ZINC001242582605 983895601 /nfs/dbraw/zinc/89/56/01/983895601.db2.gz FSZMVKSWFHJSGU-UHFFFAOYSA-N 1 2 201.204 2.098 20 30 BEEDLO C=CCNC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001202555638 984052496 /nfs/dbraw/zinc/05/24/96/984052496.db2.gz KQAVXLALWASXOJ-UHFFFAOYSA-N 1 2 242.282 2.180 20 30 BEEDLO C#C[C@H]([NH2+]C/C(Cl)=C/Cl)[C@@H]1CCCO1 ZINC000389282960 984326472 /nfs/dbraw/zinc/32/64/72/984326472.db2.gz SYQLTQJQGNVVTD-RASWUEQRSA-N 1 2 234.126 2.076 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc(F)c(CC#N)c1 ZINC001243067623 984483845 /nfs/dbraw/zinc/48/38/45/984483845.db2.gz MKQYTODVICNSQW-UHFFFAOYSA-N 1 2 215.231 2.292 20 30 BEEDLO Cn1c[nH+]cc1-c1cc(F)ccc1CC#N ZINC001243069079 984487377 /nfs/dbraw/zinc/48/73/77/984487377.db2.gz OTBFDZGFIFUQRZ-UHFFFAOYSA-N 1 2 215.231 2.292 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc(C#N)c(CC#N)c1 ZINC001243069129 984489163 /nfs/dbraw/zinc/48/91/63/984489163.db2.gz PSWIULSBHWGSOQ-UHFFFAOYSA-N 1 2 222.251 2.025 20 30 BEEDLO COc1cc(-c2c[nH+]cn2C)ccc1CC#N ZINC001243069720 984496274 /nfs/dbraw/zinc/49/62/74/984496274.db2.gz XJQSMMIQNQWWEA-UHFFFAOYSA-N 1 2 227.267 2.162 20 30 BEEDLO Cn1c[nH+]cc1-c1cc(C#N)cc2[nH]ccc21 ZINC001243071132 984497278 /nfs/dbraw/zinc/49/72/78/984497278.db2.gz NBBHAGOZDKNVDD-UHFFFAOYSA-N 1 2 222.251 2.440 20 30 BEEDLO Cn1c[nH+]cc1-c1cccc(F)c1CC#N ZINC001243070882 984499047 /nfs/dbraw/zinc/49/90/47/984499047.db2.gz AOJRUYFOEJGASU-UHFFFAOYSA-N 1 2 215.231 2.292 20 30 BEEDLO CCC1CCC([NH2+][C@@H](CS)C(=O)OC)CC1 ZINC001256866193 984845580 /nfs/dbraw/zinc/84/55/80/984845580.db2.gz DQDMGUFEVFLZSF-ILDUYXDCSA-N 1 2 245.388 2.016 20 30 BEEDLO N#Cc1nc2[nH]ccc2cc1-c1ccc[nH+]c1N ZINC001243475139 985033088 /nfs/dbraw/zinc/03/30/88/985033088.db2.gz FDLNWRNSCAHWKD-UHFFFAOYSA-N 1 2 235.250 2.030 20 30 BEEDLO N#CCOc1ccc(-c2cccc(N)[nH+]2)cc1 ZINC001243586586 985143173 /nfs/dbraw/zinc/14/31/73/985143173.db2.gz IHXFMMXUSNAYKQ-UHFFFAOYSA-N 1 2 225.251 2.233 20 30 BEEDLO Cc1[nH]c(CNc2cc(C)c(C#N)cn2)[nH+]c1C ZINC001458616287 985332762 /nfs/dbraw/zinc/33/27/62/985332762.db2.gz GXTMLKLCQQPTDT-UHFFFAOYSA-N 1 2 241.298 2.214 20 30 BEEDLO CCc1[nH]c(CNc2cc(C)c(C#N)cn2)c[nH+]1 ZINC001458652113 985341275 /nfs/dbraw/zinc/34/12/75/985341275.db2.gz BCDXEESXLVIVPQ-UHFFFAOYSA-N 1 2 241.298 2.159 20 30 BEEDLO CCc1[nH]cc(CNc2cc(C)c(C#N)cn2)[nH+]1 ZINC001458652113 985341290 /nfs/dbraw/zinc/34/12/90/985341290.db2.gz BCDXEESXLVIVPQ-UHFFFAOYSA-N 1 2 241.298 2.159 20 30 BEEDLO COCCOc1ccccc1C[NH2+][C@@H](C)CC#N ZINC001461725314 986123940 /nfs/dbraw/zinc/12/39/40/986123940.db2.gz XUPVTPRWKJKLKT-LBPRGKRZSA-N 1 2 248.326 2.104 20 30 BEEDLO COc1ccc(/C(C)=C/C=C/[NH3+])cc1C#N ZINC001244708849 986317642 /nfs/dbraw/zinc/31/76/42/986317642.db2.gz GIADQPNMWBSMAG-DROBUMMNSA-N 1 2 214.268 2.443 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H](CO)c1cccc(OC)c1 ZINC001255155792 986830156 /nfs/dbraw/zinc/83/01/56/986830156.db2.gz TYYPYDPNFPTQKF-TZMCWYRMSA-N 1 2 248.326 2.010 20 30 BEEDLO Cc1cc(-c2c[nH+]c(N)c(C)c2)ncc1C#N ZINC001245536462 986915319 /nfs/dbraw/zinc/91/53/19/986915319.db2.gz QIODQSBUOGRRNG-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO Cc1cc(-c2cncc(F)c2C#N)c[nH+]c1N ZINC001245538580 986921283 /nfs/dbraw/zinc/92/12/83/986921283.db2.gz OQXXFFDYRMVLJL-UHFFFAOYSA-N 1 2 228.230 2.045 20 30 BEEDLO Cc1cc(-c2cnc3[nH]cc(C#N)c3c2)c[nH+]c1N ZINC001245538932 986928444 /nfs/dbraw/zinc/92/84/44/986928444.db2.gz KNLATJRLBIWQRY-UHFFFAOYSA-N 1 2 249.277 2.387 20 30 BEEDLO Cc1ccnc(C#N)c1-c1c[nH+]c(N)c(C)c1 ZINC001245541709 986929849 /nfs/dbraw/zinc/92/98/49/986929849.db2.gz WMQGVURTFOVMFN-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO Cc1c[nH]c(Nc2cc(C#N)sc2[N+](=O)[O-])[nH+]1 ZINC001472725978 987276576 /nfs/dbraw/zinc/27/65/76/987276576.db2.gz SALGDRVAOIYXRG-UHFFFAOYSA-N 1 2 249.255 2.303 20 30 BEEDLO C#Cc1ccc(NCc2c[nH+]cn2CC)cc1 ZINC001474293334 987679198 /nfs/dbraw/zinc/67/91/98/987679198.db2.gz RLGUZRTWMLCGFP-UHFFFAOYSA-N 1 2 225.295 2.496 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(C)sc1C ZINC001116792400 987712674 /nfs/dbraw/zinc/71/26/74/987712674.db2.gz QMEILFAZYINDFJ-QMMMGPOBSA-N 1 2 208.330 2.213 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(C)sc1C ZINC001116792400 987712681 /nfs/dbraw/zinc/71/26/81/987712681.db2.gz QMEILFAZYINDFJ-QMMMGPOBSA-N 1 2 208.330 2.213 20 30 BEEDLO CC(C)CC(CC(C)C)N1CC[NH2+]C[C@@H]1C#N ZINC001246590938 988163978 /nfs/dbraw/zinc/16/39/78/988163978.db2.gz DZFAVJHFRWHMFA-AWEZNQCLSA-N 1 2 237.391 2.245 20 30 BEEDLO CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246837950 988539908 /nfs/dbraw/zinc/53/99/08/988539908.db2.gz RWNXQVHTVPZHAO-BFHYXJOUSA-N 1 2 237.391 2.245 20 30 BEEDLO CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246837950 988539914 /nfs/dbraw/zinc/53/99/14/988539914.db2.gz RWNXQVHTVPZHAO-BFHYXJOUSA-N 1 2 237.391 2.245 20 30 BEEDLO C=CCC1(NC(=O)[C@H](C)n2cc[nH+]c2)CCCC1 ZINC001118790649 988598461 /nfs/dbraw/zinc/59/84/61/988598461.db2.gz HXJJCIBEPMNJFK-LBPRGKRZSA-N 1 2 247.342 2.449 20 30 BEEDLO CC(C)(C)c1cn(CCOCCC#N)c[nH+]1 ZINC001118927735 988712995 /nfs/dbraw/zinc/71/29/95/988712995.db2.gz SDNQGBMIJOHUKE-UHFFFAOYSA-N 1 2 221.304 2.111 20 30 BEEDLO C=C[C@@H](CC)CC(=O)NCCNc1cccc[nH+]1 ZINC001119936135 989496154 /nfs/dbraw/zinc/49/61/54/989496154.db2.gz DJEMVJVVZDXJQF-LBPRGKRZSA-N 1 2 247.342 2.212 20 30 BEEDLO C#C[C@@H](C)Nc1cc(CC)[nH+]c(CC)n1 ZINC001120038161 989571639 /nfs/dbraw/zinc/57/16/39/989571639.db2.gz ODGALYQAZZGXLF-SECBINFHSA-N 1 2 203.289 2.035 20 30 BEEDLO C=CCC[C@@H]1CCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001120732894 989854166 /nfs/dbraw/zinc/85/41/66/989854166.db2.gz AKHAHWOTFKUYBB-QWHCGFSZSA-N 1 2 247.342 2.401 20 30 BEEDLO C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001120732892 989855113 /nfs/dbraw/zinc/85/51/13/989855113.db2.gz AKHAHWOTFKUYBB-CHWSQXEVSA-N 1 2 247.342 2.401 20 30 BEEDLO C#CCCCCC(=O)OCCCc1c[nH+]cn1C ZINC001525848383 990077916 /nfs/dbraw/zinc/07/79/16/990077916.db2.gz XHUNIHVPCOEIFT-UHFFFAOYSA-N 1 2 248.326 2.090 20 30 BEEDLO Cc1cc(C)c(NC(=O)[C@@H]2C[C@@H]2C#N)c(C)[nH+]1 ZINC001535173756 990463986 /nfs/dbraw/zinc/46/39/86/990463986.db2.gz IZEKZPSMGDIPLM-GHMZBOCLSA-N 1 2 229.283 2.105 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cc(O)cc(Cl)c1 ZINC001308505733 991014715 /nfs/dbraw/zinc/01/47/15/991014715.db2.gz KJUGWYPRVHVIQF-MRVPVSSYSA-N 1 2 224.691 2.437 20 30 BEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cccnc2F)C1 ZINC001138788210 991052905 /nfs/dbraw/zinc/05/29/05/991052905.db2.gz YJIHZIJTNLAZQH-NSHDSACASA-N 1 2 233.290 2.346 20 30 BEEDLO N#CC[C@@H]1CCC[N@H+](Cc2cccnc2F)C1 ZINC001138788210 991052916 /nfs/dbraw/zinc/05/29/16/991052916.db2.gz YJIHZIJTNLAZQH-NSHDSACASA-N 1 2 233.290 2.346 20 30 BEEDLO C[C@@H](CC1CC1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258460822 991418320 /nfs/dbraw/zinc/41/83/20/991418320.db2.gz LJDSAUHMTWPDNG-CABZTGNLSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H](CC1CC1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258460822 991418328 /nfs/dbraw/zinc/41/83/28/991418328.db2.gz LJDSAUHMTWPDNG-CABZTGNLSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H](CC1CC1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258460822 991418336 /nfs/dbraw/zinc/41/83/36/991418336.db2.gz LJDSAUHMTWPDNG-CABZTGNLSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H](CC1CC1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001258460822 991418344 /nfs/dbraw/zinc/41/83/44/991418344.db2.gz LJDSAUHMTWPDNG-CABZTGNLSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1F ZINC001140136102 991536807 /nfs/dbraw/zinc/53/68/07/991536807.db2.gz KANXHQYJBBLXOC-RNCFNFMXSA-N 1 2 236.265 2.487 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1F ZINC001140136102 991536816 /nfs/dbraw/zinc/53/68/16/991536816.db2.gz KANXHQYJBBLXOC-RNCFNFMXSA-N 1 2 236.265 2.487 20 30 BEEDLO Cc1ccc2n[nH]c(C[NH+]3CC(CC#N)C3)c2c1 ZINC001140327747 991606501 /nfs/dbraw/zinc/60/65/01/991606501.db2.gz GLQPHUBCMUTEHI-UHFFFAOYSA-N 1 2 240.310 2.217 20 30 BEEDLO N#CCC[N@H+](Cc1ccncn1)C1CCCC1 ZINC001140346056 991614962 /nfs/dbraw/zinc/61/49/62/991614962.db2.gz OPJTWSWPUVHIRF-UHFFFAOYSA-N 1 2 230.315 2.135 20 30 BEEDLO N#CCC[N@@H+](Cc1ccncn1)C1CCCC1 ZINC001140346056 991614966 /nfs/dbraw/zinc/61/49/66/991614966.db2.gz OPJTWSWPUVHIRF-UHFFFAOYSA-N 1 2 230.315 2.135 20 30 BEEDLO C=CCC[C@H](C)[NH2+]CC(F)(F)C(=O)OCC ZINC001258718569 991641978 /nfs/dbraw/zinc/64/19/78/991641978.db2.gz QQWUKAXDYFGVAP-VIFPVBQESA-N 1 2 235.274 2.129 20 30 BEEDLO C[C@]1(F)CCC[N@H+](Cc2ccc(C#N)nc2)C1 ZINC001140539816 991664494 /nfs/dbraw/zinc/66/44/94/991664494.db2.gz AEBNDGGGLZFJKW-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(C#N)nc2)C1 ZINC001140539816 991664499 /nfs/dbraw/zinc/66/44/99/991664499.db2.gz AEBNDGGGLZFJKW-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001258734929 991683312 /nfs/dbraw/zinc/68/33/12/991683312.db2.gz KSYVXLYFFGKTIN-NXEZZACHSA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCC[C@@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001258734929 991683316 /nfs/dbraw/zinc/68/33/16/991683316.db2.gz KSYVXLYFFGKTIN-NXEZZACHSA-N 1 2 219.275 2.043 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccnn1-c1ccccc1C ZINC001561031749 991695709 /nfs/dbraw/zinc/69/57/09/991695709.db2.gz BKMFGGLSECFOTG-UHFFFAOYSA-N 1 2 239.322 2.246 20 30 BEEDLO C#CC[N@H+](C)Cc1ccnn1-c1ccccc1C ZINC001561031749 991695716 /nfs/dbraw/zinc/69/57/16/991695716.db2.gz BKMFGGLSECFOTG-UHFFFAOYSA-N 1 2 239.322 2.246 20 30 BEEDLO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](CS)C(=O)OC ZINC001258781302 991753158 /nfs/dbraw/zinc/75/31/58/991753158.db2.gz WLAJFELUANUXCU-MXWKQRLJSA-N 1 2 247.404 2.262 20 30 BEEDLO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](CS)C(=O)OC ZINC001258781303 991754829 /nfs/dbraw/zinc/75/48/29/991754829.db2.gz WLAJFELUANUXCU-VWYCJHECSA-N 1 2 247.404 2.262 20 30 BEEDLO C#CC[N@H+](CC1CC1)[C@@H](C)C(=O)OCCCC ZINC001319551539 991892021 /nfs/dbraw/zinc/89/20/21/991892021.db2.gz ICQZJQBIVDFYIR-LBPRGKRZSA-N 1 2 237.343 2.063 20 30 BEEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)C(=O)OCCCC ZINC001319551539 991892024 /nfs/dbraw/zinc/89/20/24/991892024.db2.gz ICQZJQBIVDFYIR-LBPRGKRZSA-N 1 2 237.343 2.063 20 30 BEEDLO C#CC[N@H+](CC1CC1)[C@H](C)C(=O)OCCCC ZINC001319551538 991894139 /nfs/dbraw/zinc/89/41/39/991894139.db2.gz ICQZJQBIVDFYIR-GFCCVEGCSA-N 1 2 237.343 2.063 20 30 BEEDLO C#CC[N@@H+](CC1CC1)[C@H](C)C(=O)OCCCC ZINC001319551538 991894142 /nfs/dbraw/zinc/89/41/42/991894142.db2.gz ICQZJQBIVDFYIR-GFCCVEGCSA-N 1 2 237.343 2.063 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001321087358 992451242 /nfs/dbraw/zinc/45/12/42/992451242.db2.gz NYSSYGTYLNOSIV-NWDGAFQWSA-N 1 2 233.315 2.011 20 30 BEEDLO C=C[C@H](COC)Nc1cc(CC)[nH+]c(CC)n1 ZINC001262363911 992858929 /nfs/dbraw/zinc/85/89/29/992858929.db2.gz HTABHZJXWSXASX-LLVKDONJSA-N 1 2 235.331 2.214 20 30 BEEDLO Cc1cc(N2CC(CC#N)C2)nc(C2CCC2)[nH+]1 ZINC001262371205 992865178 /nfs/dbraw/zinc/86/51/78/992865178.db2.gz DGNGLPBFOXLPLJ-UHFFFAOYSA-N 1 2 242.326 2.402 20 30 BEEDLO C#CC[N@H+](Cc1cccn1C1CC1)C1CSC1 ZINC001262374017 992867547 /nfs/dbraw/zinc/86/75/47/992867547.db2.gz QXQJZOBJSKLQER-UHFFFAOYSA-N 1 2 246.379 2.374 20 30 BEEDLO C#CC[N@@H+](Cc1cccn1C1CC1)C1CSC1 ZINC001262374017 992867550 /nfs/dbraw/zinc/86/75/50/992867550.db2.gz QXQJZOBJSKLQER-UHFFFAOYSA-N 1 2 246.379 2.374 20 30 BEEDLO C=C[C@H](COC)[NH2+]Cc1ncc(Cl)s1 ZINC000379563940 993249048 /nfs/dbraw/zinc/24/90/48/993249048.db2.gz ANLDTCYGZDNDBY-SSDOTTSWSA-N 1 2 232.736 2.087 20 30 BEEDLO C=C(C)C[NH2+]C1(C(=O)OCC)CCCCC1 ZINC000390554817 993797120 /nfs/dbraw/zinc/79/71/20/993797120.db2.gz PYVXPUAYRLJGMV-UHFFFAOYSA-N 1 2 225.332 2.418 20 30 BEEDLO C#CC[N@@H+](Cc1ncccc1F)CC1CC1 ZINC001621160259 1170727414 /nfs/dbraw/zinc/72/74/14/1170727414.db2.gz UEPZBKCZGNMXFV-UHFFFAOYSA-N 1 2 218.275 2.066 20 30 BEEDLO C#CC[N@H+](Cc1ncccc1F)CC1CC1 ZINC001621160259 1170727415 /nfs/dbraw/zinc/72/74/15/1170727415.db2.gz UEPZBKCZGNMXFV-UHFFFAOYSA-N 1 2 218.275 2.066 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1nn(C)cc1Cl)C(C)(C)C ZINC001621366675 1170783976 /nfs/dbraw/zinc/78/39/76/1170783976.db2.gz WYFJDPSBGRSNHN-LLVKDONJSA-N 1 2 239.750 2.211 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](COC)c1ccco1 ZINC000299022745 136209007 /nfs/dbraw/zinc/20/90/07/136209007.db2.gz RCMUNIOJODPGLE-VIFPVBQESA-N 1 2 215.680 2.309 20 30 BEEDLO CC(C)c1noc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000408160052 136211194 /nfs/dbraw/zinc/21/11/94/136211194.db2.gz SYICLDFVDBASFY-UHFFFAOYSA-N 1 2 248.330 2.319 20 30 BEEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1)C1CC1 ZINC000274180704 398150567 /nfs/dbraw/zinc/15/05/67/398150567.db2.gz OVGWZIQDRRUKBG-UHFFFAOYSA-N 1 2 242.322 2.031 20 30 BEEDLO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1)C1CC1 ZINC000274180704 398150571 /nfs/dbraw/zinc/15/05/71/398150571.db2.gz OVGWZIQDRRUKBG-UHFFFAOYSA-N 1 2 242.322 2.031 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cncc(OC)c1C ZINC000602438258 349524249 /nfs/dbraw/zinc/52/42/49/349524249.db2.gz PISXRTMBDQTLRQ-UHFFFAOYSA-N 1 2 233.315 2.134 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cncc(OC)c1C ZINC000602438258 349524253 /nfs/dbraw/zinc/52/42/53/349524253.db2.gz PISXRTMBDQTLRQ-UHFFFAOYSA-N 1 2 233.315 2.134 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602488058 349569232 /nfs/dbraw/zinc/56/92/32/349569232.db2.gz ZFXSEUFVTUZSQD-LLVKDONJSA-N 1 2 240.310 2.077 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602488058 349569237 /nfs/dbraw/zinc/56/92/37/349569237.db2.gz ZFXSEUFVTUZSQD-LLVKDONJSA-N 1 2 240.310 2.077 20 30 BEEDLO COc1ccc[nH+]c1NC[C@@H](C)CCC#N ZINC000602580269 349608442 /nfs/dbraw/zinc/60/84/42/349608442.db2.gz XGYZLDBDJODVDR-JTQLQIEISA-N 1 2 219.288 2.442 20 30 BEEDLO Cc1c[nH]c(CN(CCC#N)CC(C)(C)C)[nH+]1 ZINC000600116910 342671587 /nfs/dbraw/zinc/67/15/87/342671587.db2.gz HLTOLMPGJSEEJE-UHFFFAOYSA-N 1 2 234.347 2.480 20 30 BEEDLO N#CCC1C[NH+](Cc2ccncc2Cl)C1 ZINC000600180020 342696876 /nfs/dbraw/zinc/69/68/76/342696876.db2.gz DSXCHYRELCWMJN-UHFFFAOYSA-N 1 2 221.691 2.080 20 30 BEEDLO Cc1ncc(CO)c(/C=[NH+]/CCC(C)C)c1O ZINC000005110579 342758299 /nfs/dbraw/zinc/75/82/99/342758299.db2.gz DJWBFQPEBVXONJ-VGOFMYFVSA-N 1 2 236.315 2.053 20 30 BEEDLO C=CC[C@@H]1CC[C@@]2(C1)NC(=O)C[N@H+]2CC(C)C ZINC000649490021 398287194 /nfs/dbraw/zinc/28/71/94/398287194.db2.gz PDZJGSQEUNPRHH-TZMCWYRMSA-N 1 2 236.359 2.147 20 30 BEEDLO C=CC[C@@H]1CC[C@@]2(C1)NC(=O)C[N@@H+]2CC(C)C ZINC000649490021 398287195 /nfs/dbraw/zinc/28/71/95/398287195.db2.gz PDZJGSQEUNPRHH-TZMCWYRMSA-N 1 2 236.359 2.147 20 30 BEEDLO Cc1nc2ccccc2nc1C[NH2+]C[C@H](C)C#N ZINC000602606670 349628953 /nfs/dbraw/zinc/62/89/53/349628953.db2.gz CGEQMUYTJYEBIH-SNVBAGLBSA-N 1 2 240.310 2.188 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000602611425 349634874 /nfs/dbraw/zinc/63/48/74/349634874.db2.gz LIGHYPGZHCVHDA-LLVKDONJSA-N 1 2 246.358 2.081 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(F)c1 ZINC000036667664 342909243 /nfs/dbraw/zinc/90/92/43/342909243.db2.gz HBSZEZLDEZHICN-JTQLQIEISA-N 1 2 206.264 2.417 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(F)c1 ZINC000036667664 342909245 /nfs/dbraw/zinc/90/92/45/342909245.db2.gz HBSZEZLDEZHICN-JTQLQIEISA-N 1 2 206.264 2.417 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H](CCC)OC ZINC000602672949 349666695 /nfs/dbraw/zinc/66/66/95/349666695.db2.gz SSDBULSPZRUFMG-LBPRGKRZSA-N 1 2 210.321 2.203 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H](CCC)OC ZINC000602672949 349666697 /nfs/dbraw/zinc/66/66/97/349666697.db2.gz SSDBULSPZRUFMG-LBPRGKRZSA-N 1 2 210.321 2.203 20 30 BEEDLO C=CCN(CCC#N)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602672347 349666750 /nfs/dbraw/zinc/66/67/50/349666750.db2.gz OEFRBCFECVUCFX-CYBMUJFWSA-N 1 2 244.342 2.273 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)sn1 ZINC000602718272 349686989 /nfs/dbraw/zinc/68/69/89/349686989.db2.gz MAVCDKIHEOLRJJ-NSHDSACASA-N 1 2 221.329 2.187 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)sn1 ZINC000602718272 349686993 /nfs/dbraw/zinc/68/69/93/349686993.db2.gz MAVCDKIHEOLRJJ-NSHDSACASA-N 1 2 221.329 2.187 20 30 BEEDLO CC(C)n1ncnc1C[NH2+]CC1(C#N)CCCC1 ZINC000602700726 349696373 /nfs/dbraw/zinc/69/63/73/349696373.db2.gz VTPSMHQUATUOLL-UHFFFAOYSA-N 1 2 247.346 2.033 20 30 BEEDLO Cn1ccnc1[C@H](C1CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000602717629 349708158 /nfs/dbraw/zinc/70/81/58/349708158.db2.gz IDBQQAVBVPNMEV-GXTWGEPZSA-N 1 2 244.342 2.107 20 30 BEEDLO Cn1ccnc1[C@H](C1CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000602717629 349708161 /nfs/dbraw/zinc/70/81/61/349708161.db2.gz IDBQQAVBVPNMEV-GXTWGEPZSA-N 1 2 244.342 2.107 20 30 BEEDLO Cn1cc[nH+]c1[C@H](C1CC1)N1CC[C@](C)(C#N)C1 ZINC000602717629 349708162 /nfs/dbraw/zinc/70/81/62/349708162.db2.gz IDBQQAVBVPNMEV-GXTWGEPZSA-N 1 2 244.342 2.107 20 30 BEEDLO C=C(C)C[C@@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC ZINC000602734596 349719871 /nfs/dbraw/zinc/71/98/71/349719871.db2.gz PSXJONHQBPEKKI-GFCCVEGCSA-N 1 2 237.343 2.417 20 30 BEEDLO N#CCC1(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)CC1 ZINC000602769214 349723684 /nfs/dbraw/zinc/72/36/84/349723684.db2.gz SLOFXUQXDPPVDC-LBPRGKRZSA-N 1 2 244.342 2.283 20 30 BEEDLO N#CCC1(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)CC1 ZINC000602769214 349723688 /nfs/dbraw/zinc/72/36/88/349723688.db2.gz SLOFXUQXDPPVDC-LBPRGKRZSA-N 1 2 244.342 2.283 20 30 BEEDLO N#Cc1ccc(CNc2ccc(CO)c[nH+]2)s1 ZINC000356300031 187212614 /nfs/dbraw/zinc/21/26/14/187212614.db2.gz ITEPCZGUEWLRGV-UHFFFAOYSA-N 1 2 245.307 2.119 20 30 BEEDLO C[C@@H]1OCC[C@@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000602780380 349746125 /nfs/dbraw/zinc/74/61/25/349746125.db2.gz HSMBYHLZZHRSJI-QWHCGFSZSA-N 1 2 248.326 2.420 20 30 BEEDLO C[C@@H]1OCC[C@@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000602780380 349746128 /nfs/dbraw/zinc/74/61/28/349746128.db2.gz HSMBYHLZZHRSJI-QWHCGFSZSA-N 1 2 248.326 2.420 20 30 BEEDLO C[N@H+](CCC#N)Cc1cccc2c1CCOC2 ZINC000602779748 349746218 /nfs/dbraw/zinc/74/62/18/349746218.db2.gz ODFQMIILDLULAE-UHFFFAOYSA-N 1 2 230.311 2.105 20 30 BEEDLO C[N@@H+](CCC#N)Cc1cccc2c1CCOC2 ZINC000602779748 349746222 /nfs/dbraw/zinc/74/62/22/349746222.db2.gz ODFQMIILDLULAE-UHFFFAOYSA-N 1 2 230.311 2.105 20 30 BEEDLO CC#CC[N@H+](C)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602831095 349767759 /nfs/dbraw/zinc/76/77/59/349767759.db2.gz GBURMQUZMSQZHY-GFCCVEGCSA-N 1 2 237.343 2.062 20 30 BEEDLO CC#CC[N@@H+](C)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602831095 349767764 /nfs/dbraw/zinc/76/77/64/349767764.db2.gz GBURMQUZMSQZHY-GFCCVEGCSA-N 1 2 237.343 2.062 20 30 BEEDLO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N ZINC000602861583 349772525 /nfs/dbraw/zinc/77/25/25/349772525.db2.gz GDTGXNMWIGJRDC-VXGBXAGGSA-N 1 2 245.326 2.214 20 30 BEEDLO Cc1ccc(C)c(NC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602862031 349773478 /nfs/dbraw/zinc/77/34/78/349773478.db2.gz KMPLQIQSLIPAPC-LBPRGKRZSA-N 1 2 245.326 2.134 20 30 BEEDLO C=C(C)C[N@@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000172420220 187227664 /nfs/dbraw/zinc/22/76/64/187227664.db2.gz MGTFMJZWAKYUEQ-ZDUSSCGKSA-N 1 2 233.311 2.409 20 30 BEEDLO C=C(C)C[N@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000172420220 187227666 /nfs/dbraw/zinc/22/76/66/187227666.db2.gz MGTFMJZWAKYUEQ-ZDUSSCGKSA-N 1 2 233.311 2.409 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@H](SC)C(C)(C)C)C(=O)OC ZINC000309953388 343108263 /nfs/dbraw/zinc/10/82/63/343108263.db2.gz HDIYETKMWNJVRN-ZJUUUORDSA-N 1 2 245.388 2.081 20 30 BEEDLO C=CCCCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000267125759 187236004 /nfs/dbraw/zinc/23/60/04/187236004.db2.gz UYLBGDBAZWYUQG-UHFFFAOYSA-N 1 2 247.342 2.120 20 30 BEEDLO C=C[C@](C)(CC)C(=O)NCCNc1cccc[nH+]1 ZINC000276091113 187239027 /nfs/dbraw/zinc/23/90/27/187239027.db2.gz HWAWAUZGJXIFAN-CQSZACIVSA-N 1 2 247.342 2.212 20 30 BEEDLO N#CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000042359733 136272624 /nfs/dbraw/zinc/27/26/24/136272624.db2.gz KVVXFVVAYBOAOL-UHFFFAOYSA-N 1 2 245.282 2.473 20 30 BEEDLO N#CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000042359733 136272625 /nfs/dbraw/zinc/27/26/25/136272625.db2.gz KVVXFVVAYBOAOL-UHFFFAOYSA-N 1 2 245.282 2.473 20 30 BEEDLO C=C(C)CO[NH+]=C(N)COc1cccc(F)c1 ZINC000186825294 136275533 /nfs/dbraw/zinc/27/55/33/136275533.db2.gz SYQVRQWVNCHFIX-UHFFFAOYSA-N 1 2 238.262 2.069 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(OCC#N)cc1 ZINC000266925922 136281774 /nfs/dbraw/zinc/28/17/74/136281774.db2.gz NGFSKSBFNJPFJJ-UHFFFAOYSA-N 1 2 243.310 2.325 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(OCC#N)cc1 ZINC000266925922 136281775 /nfs/dbraw/zinc/28/17/75/136281775.db2.gz NGFSKSBFNJPFJJ-UHFFFAOYSA-N 1 2 243.310 2.325 20 30 BEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCc2ccccc2C1 ZINC000032514621 343236985 /nfs/dbraw/zinc/23/69/85/343236985.db2.gz KUNSMZWKQGNLNV-ZDUSSCGKSA-N 1 2 239.322 2.488 20 30 BEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCc2ccccc2C1 ZINC000032514621 343236987 /nfs/dbraw/zinc/23/69/87/343236987.db2.gz KUNSMZWKQGNLNV-ZDUSSCGKSA-N 1 2 239.322 2.488 20 30 BEEDLO COC[C@H](C#N)Nc1ccc([NH+](C)C)cc1C ZINC000273316301 136284077 /nfs/dbraw/zinc/28/40/77/136284077.db2.gz DMOMGITYDLVSOO-NSHDSACASA-N 1 2 233.315 2.012 20 30 BEEDLO Cc1nnc([C@@H](C)[NH+]2CCC(C#N)CC2)s1 ZINC000274103508 136284640 /nfs/dbraw/zinc/28/46/40/136284640.db2.gz SVWYXQMGYKVGHD-MRVPVSSYSA-N 1 2 236.344 2.143 20 30 BEEDLO C=CC(C)(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000295313975 136290527 /nfs/dbraw/zinc/29/05/27/136290527.db2.gz SCKIBQRXVMNSFT-UHFFFAOYSA-N 1 2 247.342 2.212 20 30 BEEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)OCCC ZINC000120091963 136292093 /nfs/dbraw/zinc/29/20/93/136292093.db2.gz PGIZKEWWWJIFNL-NSHDSACASA-N 1 2 211.305 2.002 20 30 BEEDLO Cc1ccc(CCO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000283756367 136287027 /nfs/dbraw/zinc/28/70/27/136287027.db2.gz AJHJXGDZDYOGQD-CYBMUJFWSA-N 1 2 248.326 2.005 20 30 BEEDLO C=C(C)C[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000609312666 343406633 /nfs/dbraw/zinc/40/66/33/343406633.db2.gz KKHFBASZWIRLKE-UHFFFAOYSA-N 1 2 231.295 2.365 20 30 BEEDLO C=C(C)C[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000609312666 343406635 /nfs/dbraw/zinc/40/66/35/343406635.db2.gz KKHFBASZWIRLKE-UHFFFAOYSA-N 1 2 231.295 2.365 20 30 BEEDLO C[C@H]1[C@H](C)[N@H+](Cc2cc(C#N)cs2)CCN1C ZINC000335680500 136328503 /nfs/dbraw/zinc/32/85/03/136328503.db2.gz VDFJHKBWOXGRLP-QWRGUYRKSA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@H]1[C@H](C)[N@@H+](Cc2cc(C#N)cs2)CCN1C ZINC000335680500 136328504 /nfs/dbraw/zinc/32/85/04/136328504.db2.gz VDFJHKBWOXGRLP-QWRGUYRKSA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)[C@@H](C)CN1C ZINC000335719820 136340799 /nfs/dbraw/zinc/34/07/99/136340799.db2.gz TZYQACKZTUSHLE-QWRGUYRKSA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@@H](C)CN1C ZINC000335719820 136340800 /nfs/dbraw/zinc/34/08/00/136340800.db2.gz TZYQACKZTUSHLE-QWRGUYRKSA-N 1 2 249.383 2.144 20 30 BEEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC000351097972 136367308 /nfs/dbraw/zinc/36/73/08/136367308.db2.gz JUOQOIBSWRTINO-VIFPVBQESA-N 1 2 209.293 2.201 20 30 BEEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC000351097972 136367309 /nfs/dbraw/zinc/36/73/09/136367309.db2.gz JUOQOIBSWRTINO-VIFPVBQESA-N 1 2 209.293 2.201 20 30 BEEDLO Cc1ccnc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000616761024 343561427 /nfs/dbraw/zinc/56/14/27/343561427.db2.gz XZYHYIMRUAEYSG-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1ccnc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000616761024 343561430 /nfs/dbraw/zinc/56/14/30/343561430.db2.gz XZYHYIMRUAEYSG-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C)ns1 ZINC000379603418 343582159 /nfs/dbraw/zinc/58/21/59/343582159.db2.gz NWDCMDNYMOTUQF-VIFPVBQESA-N 1 2 209.318 2.233 20 30 BEEDLO N#CCC[NH+]1CCC(Cc2nccs2)CC1 ZINC000602956383 349829666 /nfs/dbraw/zinc/82/96/66/349829666.db2.gz OHDSKBKSQRMINS-UHFFFAOYSA-N 1 2 235.356 2.311 20 30 BEEDLO COc1cc[nH+]c(CN(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602975975 349839886 /nfs/dbraw/zinc/83/98/86/349839886.db2.gz JIQNDTJOMPKGGA-SMDDNHRTSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccnc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602975975 349839888 /nfs/dbraw/zinc/83/98/88/349839888.db2.gz JIQNDTJOMPKGGA-SMDDNHRTSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccnc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602975975 349839890 /nfs/dbraw/zinc/83/98/90/349839890.db2.gz JIQNDTJOMPKGGA-SMDDNHRTSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)n1 ZINC000602977559 349842214 /nfs/dbraw/zinc/84/22/14/349842214.db2.gz CWXAZXVOZZONTJ-DGCLKSJQSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)n1 ZINC000602977559 349842217 /nfs/dbraw/zinc/84/22/17/349842217.db2.gz CWXAZXVOZZONTJ-DGCLKSJQSA-N 1 2 245.326 2.214 20 30 BEEDLO C[N@H+](Cc1ccnc(C#N)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980475 349845483 /nfs/dbraw/zinc/84/54/83/349845483.db2.gz QKZAXQRDXHIBBW-OCCSQVGLSA-N 1 2 240.310 2.077 20 30 BEEDLO C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980475 349845486 /nfs/dbraw/zinc/84/54/86/349845486.db2.gz QKZAXQRDXHIBBW-OCCSQVGLSA-N 1 2 240.310 2.077 20 30 BEEDLO COc1ncccc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980681 349846233 /nfs/dbraw/zinc/84/62/33/349846233.db2.gz TUVBDGQIAXJLIW-YPMHNXCESA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ncccc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980681 349846236 /nfs/dbraw/zinc/84/62/36/349846236.db2.gz TUVBDGQIAXJLIW-YPMHNXCESA-N 1 2 245.326 2.214 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cnn2ccccc12 ZINC000179452893 346985180 /nfs/dbraw/zinc/98/51/80/346985180.db2.gz FRXUDIOYPVXKPI-LLVKDONJSA-N 1 2 228.299 2.068 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnn2ccccc12 ZINC000179452893 346985182 /nfs/dbraw/zinc/98/51/82/346985182.db2.gz FRXUDIOYPVXKPI-LLVKDONJSA-N 1 2 228.299 2.068 20 30 BEEDLO C#CC[N@@H+](Cc1cccc(F)c1C#N)C1CC1 ZINC000491692088 347003951 /nfs/dbraw/zinc/00/39/51/347003951.db2.gz HULUSOXHPINXOR-UHFFFAOYSA-N 1 2 228.270 2.295 20 30 BEEDLO C#CC[N@H+](Cc1cccc(F)c1C#N)C1CC1 ZINC000491692088 347003953 /nfs/dbraw/zinc/00/39/53/347003953.db2.gz HULUSOXHPINXOR-UHFFFAOYSA-N 1 2 228.270 2.295 20 30 BEEDLO Cc1nocc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590362528 347032261 /nfs/dbraw/zinc/03/22/61/347032261.db2.gz OMHIIPPLSBZVRZ-GFCCVEGCSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1nocc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590362528 347032264 /nfs/dbraw/zinc/03/22/64/347032264.db2.gz OMHIIPPLSBZVRZ-GFCCVEGCSA-N 1 2 219.288 2.109 20 30 BEEDLO C=CCC1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCC1 ZINC000620605843 344356975 /nfs/dbraw/zinc/35/69/75/344356975.db2.gz KXMXNXXRHQFRTD-NSHDSACASA-N 1 2 247.342 2.344 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1F ZINC000042207301 344445932 /nfs/dbraw/zinc/44/59/32/344445932.db2.gz LLPZCHVEVDBGNA-SNVBAGLBSA-N 1 2 206.264 2.417 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1F ZINC000042207301 344445934 /nfs/dbraw/zinc/44/59/34/344445934.db2.gz LLPZCHVEVDBGNA-SNVBAGLBSA-N 1 2 206.264 2.417 20 30 BEEDLO N#CCC[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000381495990 344512948 /nfs/dbraw/zinc/51/29/48/344512948.db2.gz MKSAUORWTDTVOP-NSHDSACASA-N 1 2 220.247 2.153 20 30 BEEDLO Cc1ccc([C@H]2COCC[N@@H+]2CCCC#N)o1 ZINC000116895985 344737568 /nfs/dbraw/zinc/73/75/68/344737568.db2.gz WLDDIXKAKFBPEA-GFCCVEGCSA-N 1 2 234.299 2.265 20 30 BEEDLO Cc1ccc([C@H]2COCC[N@H+]2CCCC#N)o1 ZINC000116895985 344737572 /nfs/dbraw/zinc/73/75/72/344737572.db2.gz WLDDIXKAKFBPEA-GFCCVEGCSA-N 1 2 234.299 2.265 20 30 BEEDLO Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)o1 ZINC000135559963 344749202 /nfs/dbraw/zinc/74/92/02/344749202.db2.gz GVINXESIUNHSEN-UHFFFAOYSA-N 1 2 216.240 2.343 20 30 BEEDLO Cc1noc([C@H](C)[NH2+]Cc2cccc(C#N)c2)n1 ZINC000075732294 344778576 /nfs/dbraw/zinc/77/85/76/344778576.db2.gz VMYGGZXXZVNSFY-VIFPVBQESA-N 1 2 242.282 2.101 20 30 BEEDLO C#CC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153547 344798652 /nfs/dbraw/zinc/79/86/52/344798652.db2.gz UBGPYKKQGNESDL-GJZGRUSLSA-N 1 2 224.307 2.391 20 30 BEEDLO C#CC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153547 344798653 /nfs/dbraw/zinc/79/86/53/344798653.db2.gz UBGPYKKQGNESDL-GJZGRUSLSA-N 1 2 224.307 2.391 20 30 BEEDLO Cc1cc(NC(=O)N(C)[C@@H](C)CC#N)cc[nH+]1 ZINC000120208765 344881750 /nfs/dbraw/zinc/88/17/50/344881750.db2.gz SKDJOKVVTMGOGN-JTQLQIEISA-N 1 2 232.287 2.156 20 30 BEEDLO CCN(CCC#N)C(=O)Nc1cc[nH+]cc1C ZINC000120894743 344903811 /nfs/dbraw/zinc/90/38/11/344903811.db2.gz AJCOJQGOYDTWGK-UHFFFAOYSA-N 1 2 232.287 2.158 20 30 BEEDLO C[N@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC000121651368 344932714 /nfs/dbraw/zinc/93/27/14/344932714.db2.gz OLRGNDFLQUSTCF-UHFFFAOYSA-N 1 2 217.247 2.043 20 30 BEEDLO C[N@@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC000121651368 344932718 /nfs/dbraw/zinc/93/27/18/344932718.db2.gz OLRGNDFLQUSTCF-UHFFFAOYSA-N 1 2 217.247 2.043 20 30 BEEDLO CO[C@H](CNc1cc(C)[nH+]cc1C#N)C(C)(C)C ZINC000425223215 192084451 /nfs/dbraw/zinc/08/44/51/192084451.db2.gz BSEBGZMFWFGFFD-CYBMUJFWSA-N 1 2 247.342 2.157 20 30 BEEDLO N#CCC[NH2+]Cc1ccc(Cl)cc1F ZINC000162953616 133538569 /nfs/dbraw/zinc/53/85/69/133538569.db2.gz CXASHBARRNTVNS-UHFFFAOYSA-N 1 2 212.655 2.482 20 30 BEEDLO Cc1cc(N[C@@H]2CC[C@H](C#N)C2)nc(C(C)C)[nH+]1 ZINC000425278144 192086746 /nfs/dbraw/zinc/08/67/46/192086746.db2.gz YNQBFOHBXYPDBF-NWDGAFQWSA-N 1 2 244.342 2.435 20 30 BEEDLO COC1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000425267245 192086981 /nfs/dbraw/zinc/08/69/81/192086981.db2.gz LEKCNLZMQFLVJD-UHFFFAOYSA-N 1 2 245.326 2.053 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1cc(C#N)n(C)c1 ZINC000562318011 345341876 /nfs/dbraw/zinc/34/18/76/345341876.db2.gz GPAQRAMLXQIGJC-UHFFFAOYSA-N 1 2 230.315 2.021 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1cc(C#N)n(C)c1 ZINC000562318011 345341878 /nfs/dbraw/zinc/34/18/78/345341878.db2.gz GPAQRAMLXQIGJC-UHFFFAOYSA-N 1 2 230.315 2.021 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)nn(C)c1Cl ZINC000135040949 345430422 /nfs/dbraw/zinc/43/04/22/345430422.db2.gz YVRRYSFPUAUEIC-SECBINFHSA-N 1 2 240.738 2.164 20 30 BEEDLO Cc1ccnc([C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000381348640 345434314 /nfs/dbraw/zinc/43/43/14/345434314.db2.gz ZTUJPXUMPWQGEQ-NSHDSACASA-N 1 2 215.300 2.344 20 30 BEEDLO C#CCNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000159501838 345440684 /nfs/dbraw/zinc/44/06/84/345440684.db2.gz RBGQBKDXUFTDHP-UHFFFAOYSA-N 1 2 238.294 2.146 20 30 BEEDLO C=C1CN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000641659048 362584491 /nfs/dbraw/zinc/58/44/91/362584491.db2.gz NPWREMFKAUEMQD-UHFFFAOYSA-N 1 2 215.300 2.040 20 30 BEEDLO CC[N@@H+](CCC#N)CCOc1cccc(F)c1 ZINC000081040275 345459707 /nfs/dbraw/zinc/45/97/07/345459707.db2.gz JJMULHDQAANELL-UHFFFAOYSA-N 1 2 236.290 2.440 20 30 BEEDLO CC[N@H+](CCC#N)CCOc1cccc(F)c1 ZINC000081040275 345459708 /nfs/dbraw/zinc/45/97/08/345459708.db2.gz JJMULHDQAANELL-UHFFFAOYSA-N 1 2 236.290 2.440 20 30 BEEDLO CSCCNc1cc(C)[nH+]cc1C#N ZINC000307395134 345560845 /nfs/dbraw/zinc/56/08/45/345560845.db2.gz OPPSQLOFCXVBKN-UHFFFAOYSA-N 1 2 207.302 2.037 20 30 BEEDLO C#CCNc1[nH+]ccc(C)c1Br ZINC000235787706 345870319 /nfs/dbraw/zinc/87/03/19/345870319.db2.gz WTTBNAYMWFLGAX-UHFFFAOYSA-N 1 2 225.089 2.198 20 30 BEEDLO CC[C@@](C)(C#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000586779765 346104635 /nfs/dbraw/zinc/10/46/35/346104635.db2.gz AGTAHBDOCNBUPH-ZDUSSCGKSA-N 1 2 242.282 2.213 20 30 BEEDLO N#CC[C@@H]1CC[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000603388137 349943090 /nfs/dbraw/zinc/94/30/90/349943090.db2.gz JKHJQDCTEFAFTR-JQWIXIFHSA-N 1 2 231.299 2.068 20 30 BEEDLO N#Cc1csc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000601159289 346515288 /nfs/dbraw/zinc/51/52/88/346515288.db2.gz GSMUVHBUFGZHLI-RNFRBKRXSA-N 1 2 247.245 2.055 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H]1CCC[C@H](C)C1)C(=O)OC ZINC000301047798 346574390 /nfs/dbraw/zinc/57/43/90/346574390.db2.gz PVRMYMZHILZWLZ-SRVKXCTJSA-N 1 2 225.332 2.130 20 30 BEEDLO CC(C)Cn1cc(C[N@H+](C)[C@@H](C)CC#N)cn1 ZINC000183261194 347123298 /nfs/dbraw/zinc/12/32/98/347123298.db2.gz DVEZHNMEPHVILU-LBPRGKRZSA-N 1 2 234.347 2.273 20 30 BEEDLO CC(C)Cn1cc(C[N@@H+](C)[C@@H](C)CC#N)cn1 ZINC000183261194 347123301 /nfs/dbraw/zinc/12/33/01/347123301.db2.gz DVEZHNMEPHVILU-LBPRGKRZSA-N 1 2 234.347 2.273 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC#N ZINC000189343561 347301166 /nfs/dbraw/zinc/30/11/66/347301166.db2.gz DZCAJNVVTVPUHH-LLVKDONJSA-N 1 2 213.284 2.465 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC#N ZINC000189343561 347301168 /nfs/dbraw/zinc/30/11/68/347301168.db2.gz DZCAJNVVTVPUHH-LLVKDONJSA-N 1 2 213.284 2.465 20 30 BEEDLO C(#Cc1ccccc1)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000364592440 347463326 /nfs/dbraw/zinc/46/33/26/347463326.db2.gz VYDPHDIIAZPQLI-INIZCTEOSA-N 1 2 241.334 2.149 20 30 BEEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000364592440 347463328 /nfs/dbraw/zinc/46/33/28/347463328.db2.gz VYDPHDIIAZPQLI-INIZCTEOSA-N 1 2 241.334 2.149 20 30 BEEDLO Cc1nsc(C)c1C[N@@H+](C)C[C@@H](C)C#N ZINC000590602597 347475950 /nfs/dbraw/zinc/47/59/50/347475950.db2.gz OHGCBQSJJPKDHB-QMMMGPOBSA-N 1 2 223.345 2.351 20 30 BEEDLO Cc1nsc(C)c1C[N@H+](C)C[C@@H](C)C#N ZINC000590602597 347475951 /nfs/dbraw/zinc/47/59/51/347475951.db2.gz OHGCBQSJJPKDHB-QMMMGPOBSA-N 1 2 223.345 2.351 20 30 BEEDLO C[C@@]1(C#N)CCC[N@H+](CCc2cscn2)C1 ZINC000590715510 347499922 /nfs/dbraw/zinc/49/99/22/347499922.db2.gz KWJDNMCIQIDHOM-LBPRGKRZSA-N 1 2 235.356 2.311 20 30 BEEDLO C[C@@]1(C#N)CCC[N@@H+](CCc2cscn2)C1 ZINC000590715510 347499926 /nfs/dbraw/zinc/49/99/26/347499926.db2.gz KWJDNMCIQIDHOM-LBPRGKRZSA-N 1 2 235.356 2.311 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1c(OC)cccc1OC ZINC000589821998 347577058 /nfs/dbraw/zinc/57/70/58/347577058.db2.gz GIEYRHBICYMYGD-NSHDSACASA-N 1 2 248.326 2.486 20 30 BEEDLO C=CCCCC(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001639300406 1172093596 /nfs/dbraw/zinc/09/35/96/1172093596.db2.gz NEIBPZNPWISMDN-UHFFFAOYSA-N 1 2 247.342 2.261 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC(C(F)F)C2)s1 ZINC000590968788 347596678 /nfs/dbraw/zinc/59/66/78/347596678.db2.gz MSTAIRALEAIVHR-UHFFFAOYSA-N 1 2 228.267 2.317 20 30 BEEDLO Cc1[nH]ncc1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000591243326 347633686 /nfs/dbraw/zinc/63/36/86/347633686.db2.gz LDTOXZSJMBZDSE-VIFPVBQESA-N 1 2 220.320 2.309 20 30 BEEDLO CCn1c[nH+]cc1CN1CCC[C@@](C)(C#N)C1 ZINC000591356394 347643914 /nfs/dbraw/zinc/64/39/14/347643914.db2.gz PJXREMWGBNIFNM-ZDUSSCGKSA-N 1 2 232.331 2.029 20 30 BEEDLO C=C[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C(=O)OC ZINC000591374974 347649886 /nfs/dbraw/zinc/64/98/86/347649886.db2.gz BWTSYWUUNJPOFW-NWDGAFQWSA-N 1 2 225.332 2.439 20 30 BEEDLO C=C(CC)C[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000591376164 347650750 /nfs/dbraw/zinc/65/07/50/347650750.db2.gz LVIHLJDPNUQZTB-AWEZNQCLSA-N 1 2 247.338 2.327 20 30 BEEDLO N#C[C@@H]1CC[C@H]([NH2+]Cc2n[nH]c3ccccc32)C1 ZINC000591639708 347681650 /nfs/dbraw/zinc/68/16/50/347681650.db2.gz CARYBTAOWPHXEK-MNOVXSKESA-N 1 2 240.310 2.345 20 30 BEEDLO Cc1cc(NC[C@H](C)CC(F)F)c(C#N)c[nH+]1 ZINC000591962045 347718888 /nfs/dbraw/zinc/71/88/88/347718888.db2.gz VSZJGSHJCMCURO-MRVPVSSYSA-N 1 2 239.269 2.387 20 30 BEEDLO Cc1nc2[nH]ccc2c(N[C@@H]2CC[C@H](C#N)C2)[nH+]1 ZINC000591826536 347701856 /nfs/dbraw/zinc/70/18/56/347701856.db2.gz POJTYALRMBNAID-VHSXEESVSA-N 1 2 241.298 2.371 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC(C(F)F)C2)cc1F ZINC000591504215 347668311 /nfs/dbraw/zinc/66/83/11/347668311.db2.gz FIIDJHQFPADSPU-UHFFFAOYSA-N 1 2 240.228 2.394 20 30 BEEDLO CC1(C)CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000334493683 347672851 /nfs/dbraw/zinc/67/28/51/347672851.db2.gz YQXNGPANJNISHW-UHFFFAOYSA-N 1 2 221.329 2.247 20 30 BEEDLO CC1(C)CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000334493683 347672854 /nfs/dbraw/zinc/67/28/54/347672854.db2.gz YQXNGPANJNISHW-UHFFFAOYSA-N 1 2 221.329 2.247 20 30 BEEDLO N#Cc1cnccc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000592084258 347730262 /nfs/dbraw/zinc/73/02/62/347730262.db2.gz BAIOGQFGSMBGEA-JTQLQIEISA-N 1 2 237.253 2.040 20 30 BEEDLO N#Cc1cnccc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000592084258 347730263 /nfs/dbraw/zinc/73/02/63/347730263.db2.gz BAIOGQFGSMBGEA-JTQLQIEISA-N 1 2 237.253 2.040 20 30 BEEDLO CC[C@@H]1C[N@H+](CC2(C#N)CC2)[C@H](CC)CO1 ZINC000593058061 347848204 /nfs/dbraw/zinc/84/82/04/347848204.db2.gz ILXLVEBACLIBIL-VXGBXAGGSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@H](CC)CO1 ZINC000593058061 347848206 /nfs/dbraw/zinc/84/82/06/347848206.db2.gz ILXLVEBACLIBIL-VXGBXAGGSA-N 1 2 222.332 2.180 20 30 BEEDLO CCn1cc(C[N@H+](CC2(C#N)CC2)C(C)C)cn1 ZINC000593078735 347850978 /nfs/dbraw/zinc/85/09/78/347850978.db2.gz DNHDYFSJGQKWMH-UHFFFAOYSA-N 1 2 246.358 2.417 20 30 BEEDLO CCn1cc(C[N@@H+](CC2(C#N)CC2)C(C)C)cn1 ZINC000593078735 347850980 /nfs/dbraw/zinc/85/09/80/347850980.db2.gz DNHDYFSJGQKWMH-UHFFFAOYSA-N 1 2 246.358 2.417 20 30 BEEDLO CC(C)c1nc(C[NH+]2CCC(CC#N)CC2)no1 ZINC000577315985 365923116 /nfs/dbraw/zinc/92/31/16/365923116.db2.gz AXOJRHBTGYBEGP-UHFFFAOYSA-N 1 2 248.330 2.319 20 30 BEEDLO N#Cc1cccc2c1C[N@H+](CCOCC1CC1)C2 ZINC000593120285 347863208 /nfs/dbraw/zinc/86/32/08/347863208.db2.gz OBOOIBIBGQFIPK-UHFFFAOYSA-N 1 2 242.322 2.300 20 30 BEEDLO N#Cc1cccc2c1C[N@@H+](CCOCC1CC1)C2 ZINC000593120285 347863210 /nfs/dbraw/zinc/86/32/10/347863210.db2.gz OBOOIBIBGQFIPK-UHFFFAOYSA-N 1 2 242.322 2.300 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cc2cnccc2o1 ZINC000593570058 347912679 /nfs/dbraw/zinc/91/26/79/347912679.db2.gz TVDHQOXJRPFNCP-SNVBAGLBSA-N 1 2 229.283 2.419 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc2cnccc2o1 ZINC000593570058 347912681 /nfs/dbraw/zinc/91/26/81/347912681.db2.gz TVDHQOXJRPFNCP-SNVBAGLBSA-N 1 2 229.283 2.419 20 30 BEEDLO C[C@@H]1C[C@H](NC(=O)CCCCC#N)c2[nH+]ccn21 ZINC000594040840 347994787 /nfs/dbraw/zinc/99/47/87/347994787.db2.gz IRNNHMAVTSYTSA-MNOVXSKESA-N 1 2 246.314 2.089 20 30 BEEDLO CC[C@H](NC(=O)CCCCC#N)c1[nH]cc[nH+]1 ZINC000594341742 348036662 /nfs/dbraw/zinc/03/66/62/348036662.db2.gz VASXQUXDIMQOJR-JTQLQIEISA-N 1 2 234.303 2.061 20 30 BEEDLO N#CC1(C[NH2+]Cc2cc3n(n2)CCCC3)CCC1 ZINC000594605880 348081593 /nfs/dbraw/zinc/08/15/93/348081593.db2.gz FFBZBPOCQUSKLD-UHFFFAOYSA-N 1 2 244.342 2.003 20 30 BEEDLO C=CCCSCC[NH2+]Cc1cn[nH]c1C ZINC000594959745 348150249 /nfs/dbraw/zinc/15/02/49/348150249.db2.gz BJJXBPMIHZIEOR-UHFFFAOYSA-N 1 2 225.361 2.117 20 30 BEEDLO N#CC[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000595301030 348218843 /nfs/dbraw/zinc/21/88/43/348218843.db2.gz HRBWKKLPBHSRCX-GRYCIOLGSA-N 1 2 204.317 2.411 20 30 BEEDLO N#CC[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000595301030 348218844 /nfs/dbraw/zinc/21/88/44/348218844.db2.gz HRBWKKLPBHSRCX-GRYCIOLGSA-N 1 2 204.317 2.411 20 30 BEEDLO Cc1cccnc1C[N@@H+](C)[C@@H](C)CC#N ZINC000093189574 179373742 /nfs/dbraw/zinc/37/37/42/179373742.db2.gz VKDOMEBHBVLTPW-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1cccnc1C[N@H+](C)[C@@H](C)CC#N ZINC000093189574 179373744 /nfs/dbraw/zinc/37/37/44/179373744.db2.gz VKDOMEBHBVLTPW-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO C[N@H+](Cc1ncc[nH]1)Cc1ccc(CC#N)cc1 ZINC000595401285 348238377 /nfs/dbraw/zinc/23/83/77/348238377.db2.gz DLSCDVYOFGIVTL-UHFFFAOYSA-N 1 2 240.310 2.108 20 30 BEEDLO C[N@@H+](Cc1ncc[nH]1)Cc1ccc(CC#N)cc1 ZINC000595401285 348238380 /nfs/dbraw/zinc/23/83/80/348238380.db2.gz DLSCDVYOFGIVTL-UHFFFAOYSA-N 1 2 240.310 2.108 20 30 BEEDLO CO[C@@H](C[N@@H+]1CC[C@@](F)(C#N)C1)C1CCCC1 ZINC000595454305 348253974 /nfs/dbraw/zinc/25/39/74/348253974.db2.gz HDXMLQBWPUQLQA-QWHCGFSZSA-N 1 2 240.322 2.129 20 30 BEEDLO CO[C@@H](C[N@H+]1CC[C@@](F)(C#N)C1)C1CCCC1 ZINC000595454305 348253977 /nfs/dbraw/zinc/25/39/77/348253977.db2.gz HDXMLQBWPUQLQA-QWHCGFSZSA-N 1 2 240.322 2.129 20 30 BEEDLO CO[C@H](C[NH+]1CC(C)(C#N)C1)C1CCCC1 ZINC000595465272 348257963 /nfs/dbraw/zinc/25/79/63/348257963.db2.gz BGNGZZMYEBAQTK-GFCCVEGCSA-N 1 2 222.332 2.037 20 30 BEEDLO C[N@H+](CCC#N)[C@@H]1C[C@@H]1c1ccccc1 ZINC000595345796 348235182 /nfs/dbraw/zinc/23/51/82/348235182.db2.gz RSCXDOWCAHNAQJ-CHWSQXEVSA-N 1 2 200.285 2.388 20 30 BEEDLO C[N@@H+](CCC#N)[C@@H]1C[C@@H]1c1ccccc1 ZINC000595345796 348235183 /nfs/dbraw/zinc/23/51/83/348235183.db2.gz RSCXDOWCAHNAQJ-CHWSQXEVSA-N 1 2 200.285 2.388 20 30 BEEDLO C[C@H](O)C[C@@H]1CCC[N@@H+]1[C@@H](C#N)c1ccccc1 ZINC000595396428 348237626 /nfs/dbraw/zinc/23/76/26/348237626.db2.gz LRYFIRJQPIFRLZ-QEJZJMRPSA-N 1 2 244.338 2.487 20 30 BEEDLO C[C@H](O)C[C@@H]1CCC[N@H+]1[C@@H](C#N)c1ccccc1 ZINC000595396428 348237627 /nfs/dbraw/zinc/23/76/27/348237627.db2.gz LRYFIRJQPIFRLZ-QEJZJMRPSA-N 1 2 244.338 2.487 20 30 BEEDLO N#Cc1csc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000595567804 348283624 /nfs/dbraw/zinc/28/36/24/348283624.db2.gz QLOUJBKYNJTSKN-ONGXEEELSA-N 1 2 233.340 2.389 20 30 BEEDLO N#Cc1csc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000595567804 348283626 /nfs/dbraw/zinc/28/36/26/348283626.db2.gz QLOUJBKYNJTSKN-ONGXEEELSA-N 1 2 233.340 2.389 20 30 BEEDLO COC(C)(C)CC[N@H+]([C@H](C)C#N)C1CC1 ZINC000595709669 348320827 /nfs/dbraw/zinc/32/08/27/348320827.db2.gz IHHSAZSIHRYHNG-SNVBAGLBSA-N 1 2 210.321 2.178 20 30 BEEDLO COC(C)(C)CC[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595709669 348320830 /nfs/dbraw/zinc/32/08/30/348320830.db2.gz IHHSAZSIHRYHNG-SNVBAGLBSA-N 1 2 210.321 2.178 20 30 BEEDLO CC[N@H+](CCCOCC(F)(F)F)[C@H](C)C#N ZINC000595813521 348352977 /nfs/dbraw/zinc/35/29/77/348352977.db2.gz NQTQMTZLLJLKMH-SECBINFHSA-N 1 2 238.253 2.189 20 30 BEEDLO CC[N@@H+](CCCOCC(F)(F)F)[C@H](C)C#N ZINC000595813521 348352978 /nfs/dbraw/zinc/35/29/78/348352978.db2.gz NQTQMTZLLJLKMH-SECBINFHSA-N 1 2 238.253 2.189 20 30 BEEDLO C[C@H](C#N)[N@H+](CCCCCn1cccn1)C1CC1 ZINC000595721889 348328058 /nfs/dbraw/zinc/32/80/58/348328058.db2.gz XFJXCKZXNMEAKU-CYBMUJFWSA-N 1 2 246.358 2.430 20 30 BEEDLO C[C@H](C#N)[N@@H+](CCCCCn1cccn1)C1CC1 ZINC000595721889 348328060 /nfs/dbraw/zinc/32/80/60/348328060.db2.gz XFJXCKZXNMEAKU-CYBMUJFWSA-N 1 2 246.358 2.430 20 30 BEEDLO C[C@@]1(C#N)CCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000595833953 348367139 /nfs/dbraw/zinc/36/71/39/348367139.db2.gz JDOBSQVAPRPTNJ-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO Cc1ncc(C[N@@H+]2CC[C@](C)(C#N)C2)s1 ZINC000595839345 348372745 /nfs/dbraw/zinc/37/27/45/348372745.db2.gz ILAKFAOIYOKXDS-LLVKDONJSA-N 1 2 221.329 2.187 20 30 BEEDLO Cc1ncc(C[N@H+]2CC[C@](C)(C#N)C2)s1 ZINC000595839345 348372746 /nfs/dbraw/zinc/37/27/46/348372746.db2.gz ILAKFAOIYOKXDS-LLVKDONJSA-N 1 2 221.329 2.187 20 30 BEEDLO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840336 348373399 /nfs/dbraw/zinc/37/33/99/348373399.db2.gz NTAVHSOQZGHXPD-AAEUAGOBSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1ccccn1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840336 348373400 /nfs/dbraw/zinc/37/34/00/348373400.db2.gz NTAVHSOQZGHXPD-AAEUAGOBSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1ccncc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840651 348374579 /nfs/dbraw/zinc/37/45/79/348374579.db2.gz QXNDJQQHUPBJFC-YPMHNXCESA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1ccncc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840651 348374581 /nfs/dbraw/zinc/37/45/81/348374581.db2.gz QXNDJQQHUPBJFC-YPMHNXCESA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1cccnc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841405 348376087 /nfs/dbraw/zinc/37/60/87/348376087.db2.gz VPHZNAZBSIAQGA-DGCLKSJQSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1cccnc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841405 348376091 /nfs/dbraw/zinc/37/60/91/348376091.db2.gz VPHZNAZBSIAQGA-DGCLKSJQSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccsc2)C1 ZINC000595841265 348376321 /nfs/dbraw/zinc/37/63/21/348376321.db2.gz JEAYMNHTAMESRH-NSHDSACASA-N 1 2 206.314 2.484 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccsc2)C1 ZINC000595841265 348376322 /nfs/dbraw/zinc/37/63/22/348376322.db2.gz JEAYMNHTAMESRH-NSHDSACASA-N 1 2 206.314 2.484 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)nc1 ZINC000595842004 348376765 /nfs/dbraw/zinc/37/67/65/348376765.db2.gz XNMBFWBJYRPAOL-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)nc1 ZINC000595842004 348376768 /nfs/dbraw/zinc/37/67/68/348376768.db2.gz XNMBFWBJYRPAOL-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595841741 348376874 /nfs/dbraw/zinc/37/68/74/348376874.db2.gz NTBDYTNYVVFGRR-AAEUAGOBSA-N 1 2 230.315 2.082 20 30 BEEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595841741 348376878 /nfs/dbraw/zinc/37/68/78/348376878.db2.gz NTBDYTNYVVFGRR-AAEUAGOBSA-N 1 2 230.315 2.082 20 30 BEEDLO Cc1ccnc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595843787 348381066 /nfs/dbraw/zinc/38/10/66/348381066.db2.gz NOWOXTPUNZQWSF-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ccnc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595843787 348381069 /nfs/dbraw/zinc/38/10/69/348381069.db2.gz NOWOXTPUNZQWSF-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO CC[N@H+](CCC[C@@H]1CCOC1)[C@@H](C)C#N ZINC000595818949 348359375 /nfs/dbraw/zinc/35/93/75/348359375.db2.gz QIGHKPZBLMAKMO-NWDGAFQWSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[N@@H+](CCC[C@@H]1CCOC1)[C@@H](C)C#N ZINC000595818949 348359378 /nfs/dbraw/zinc/35/93/78/348359378.db2.gz QIGHKPZBLMAKMO-NWDGAFQWSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[N@H+](C[C@H](OC)C1CCCC1)[C@@H](C)C#N ZINC000595818958 348359475 /nfs/dbraw/zinc/35/94/75/348359475.db2.gz QMINNSLHVTWHBC-AAEUAGOBSA-N 1 2 224.348 2.426 20 30 BEEDLO CC[N@@H+](C[C@H](OC)C1CCCC1)[C@@H](C)C#N ZINC000595818958 348359476 /nfs/dbraw/zinc/35/94/76/348359476.db2.gz QMINNSLHVTWHBC-AAEUAGOBSA-N 1 2 224.348 2.426 20 30 BEEDLO CC[N@H+](CCCc1ccncc1)[C@@H](C)C#N ZINC000595819513 348359498 /nfs/dbraw/zinc/35/94/98/348359498.db2.gz CBKZOVCXHPTXPS-LBPRGKRZSA-N 1 2 217.316 2.248 20 30 BEEDLO CC[N@@H+](CCCc1ccncc1)[C@@H](C)C#N ZINC000595819513 348359500 /nfs/dbraw/zinc/35/95/00/348359500.db2.gz CBKZOVCXHPTXPS-LBPRGKRZSA-N 1 2 217.316 2.248 20 30 BEEDLO CC[N@H+](C[C@H](O)[C@H](C)c1ccccc1)[C@@H](C)C#N ZINC000595818917 348359624 /nfs/dbraw/zinc/35/96/24/348359624.db2.gz PTSKIMVTRIYPOJ-GUTXKFCHSA-N 1 2 246.354 2.385 20 30 BEEDLO CC[N@@H+](C[C@H](O)[C@H](C)c1ccccc1)[C@@H](C)C#N ZINC000595818917 348359626 /nfs/dbraw/zinc/35/96/26/348359626.db2.gz PTSKIMVTRIYPOJ-GUTXKFCHSA-N 1 2 246.354 2.385 20 30 BEEDLO CC[N@H+](CCCC1(C#N)CCOCC1)[C@@H](C)C#N ZINC000595819824 348360036 /nfs/dbraw/zinc/36/00/36/348360036.db2.gz FOPVTRLDJXPLFR-ZDUSSCGKSA-N 1 2 249.358 2.321 20 30 BEEDLO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H](C)C#N ZINC000595819824 348360039 /nfs/dbraw/zinc/36/00/39/348360039.db2.gz FOPVTRLDJXPLFR-ZDUSSCGKSA-N 1 2 249.358 2.321 20 30 BEEDLO C=C1CC(C)(C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000631911752 362927265 /nfs/dbraw/zinc/92/72/65/362927265.db2.gz QFKLXKLGSSSWKJ-UHFFFAOYSA-N 1 2 247.342 2.088 20 30 BEEDLO CCC[C@H]([NH2+]CC(C)(C)CC#N)C(=O)OCC ZINC000419346856 192125747 /nfs/dbraw/zinc/12/57/47/192125747.db2.gz IXVKPUOTUCFURE-NSHDSACASA-N 1 2 240.347 2.248 20 30 BEEDLO CCn1cc[nH+]c1CNc1nc(C#N)ccc1C ZINC000596251422 348473591 /nfs/dbraw/zinc/47/35/91/348473591.db2.gz SRPRGFXBTZIOQF-UHFFFAOYSA-N 1 2 241.298 2.090 20 30 BEEDLO Cc1ccnc(N[C@@H](C)c2[nH+]ccn2C)c1C#N ZINC000596539770 348583095 /nfs/dbraw/zinc/58/30/95/348583095.db2.gz BRGITBUPPSUSJM-JTQLQIEISA-N 1 2 241.298 2.168 20 30 BEEDLO Cc1cc[nH+]cc1Cc1noc(CCCC#N)n1 ZINC000596616330 348594325 /nfs/dbraw/zinc/59/43/25/348594325.db2.gz HXKFZTLIQJQFOD-UHFFFAOYSA-N 1 2 242.282 2.210 20 30 BEEDLO Cc1cc(NC[C@H]2CCC[C@@H](C)O2)c(C#N)c[nH+]1 ZINC000596479906 348556293 /nfs/dbraw/zinc/55/62/93/348556293.db2.gz WSHIWZUDUGIVFA-DGCLKSJQSA-N 1 2 245.326 2.053 20 30 BEEDLO Cc1[nH]c2ccc(NC(=O)[C@@H](C)CC#N)cc2[nH+]1 ZINC000596693669 348608696 /nfs/dbraw/zinc/60/86/96/348608696.db2.gz APKDEUBNGIWZPU-QMMMGPOBSA-N 1 2 242.282 2.360 20 30 BEEDLO Cc1cc(N2CC[C@H]3C[C@H]3C2)c(C#N)c[nH+]1 ZINC000596508090 348571471 /nfs/dbraw/zinc/57/14/71/348571471.db2.gz ACDLBMKAJMSBRY-QWRGUYRKSA-N 1 2 213.284 2.108 20 30 BEEDLO CC(C)n1ccnc1C[NH2+]CC(C)(C)C#N ZINC000597083246 348659544 /nfs/dbraw/zinc/65/95/44/348659544.db2.gz QOAFZRZWDNENBU-UHFFFAOYSA-N 1 2 220.320 2.103 20 30 BEEDLO CC(C)n1cc[nH+]c1CNCC(C)(C)C#N ZINC000597083246 348659548 /nfs/dbraw/zinc/65/95/48/348659548.db2.gz QOAFZRZWDNENBU-UHFFFAOYSA-N 1 2 220.320 2.103 20 30 BEEDLO Cn1ncc(C2CC2)c1C[N@H+](C)CC(C)(C)C#N ZINC000597136047 348661457 /nfs/dbraw/zinc/66/14/57/348661457.db2.gz QIZVHMHDWKQIPS-UHFFFAOYSA-N 1 2 246.358 2.279 20 30 BEEDLO Cn1ncc(C2CC2)c1C[N@@H+](C)CC(C)(C)C#N ZINC000597136047 348661459 /nfs/dbraw/zinc/66/14/59/348661459.db2.gz QIZVHMHDWKQIPS-UHFFFAOYSA-N 1 2 246.358 2.279 20 30 BEEDLO CCCn1nccc1C[N@H+](CCC#N)CC1CC1 ZINC000596994460 348640116 /nfs/dbraw/zinc/64/01/16/348640116.db2.gz AGZSNUVXWALMGD-UHFFFAOYSA-N 1 2 246.358 2.419 20 30 BEEDLO CCCn1nccc1C[N@@H+](CCC#N)CC1CC1 ZINC000596994460 348640120 /nfs/dbraw/zinc/64/01/20/348640120.db2.gz AGZSNUVXWALMGD-UHFFFAOYSA-N 1 2 246.358 2.419 20 30 BEEDLO CCn1nc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1C ZINC000597230190 348697516 /nfs/dbraw/zinc/69/75/16/348697516.db2.gz QOAXCFAERSQLDB-CQSZACIVSA-N 1 2 246.358 2.255 20 30 BEEDLO CCn1nc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)c1C ZINC000597230190 348697524 /nfs/dbraw/zinc/69/75/24/348697524.db2.gz QOAXCFAERSQLDB-CQSZACIVSA-N 1 2 246.358 2.255 20 30 BEEDLO CC(C)n1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597230093 348697715 /nfs/dbraw/zinc/69/77/15/348697715.db2.gz PHBIMPAVGQREPC-ZDUSSCGKSA-N 1 2 232.331 2.200 20 30 BEEDLO CC(C)n1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597230093 348697717 /nfs/dbraw/zinc/69/77/17/348697717.db2.gz PHBIMPAVGQREPC-ZDUSSCGKSA-N 1 2 232.331 2.200 20 30 BEEDLO C[C@@]1(C#N)CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000597230827 348698442 /nfs/dbraw/zinc/69/84/42/348698442.db2.gz IYECVGMSELJKJA-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc3nccn32)C1 ZINC000597230827 348698444 /nfs/dbraw/zinc/69/84/44/348698444.db2.gz IYECVGMSELJKJA-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000597230827 348698446 /nfs/dbraw/zinc/69/84/46/348698446.db2.gz IYECVGMSELJKJA-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO Cc1cnccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597232979 348700298 /nfs/dbraw/zinc/70/02/98/348700298.db2.gz ZETZPQHLGZLEFA-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cnccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597232979 348700300 /nfs/dbraw/zinc/70/03/00/348700300.db2.gz ZETZPQHLGZLEFA-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1nc(C[N@@H+](C)CC(C)(C)CCC#N)no1 ZINC000597255817 348709675 /nfs/dbraw/zinc/70/96/75/348709675.db2.gz PXOBOYNQOVGJTP-UHFFFAOYSA-N 1 2 236.319 2.140 20 30 BEEDLO Cc1nc(C[N@H+](C)CC(C)(C)CCC#N)no1 ZINC000597255817 348709677 /nfs/dbraw/zinc/70/96/77/348709677.db2.gz PXOBOYNQOVGJTP-UHFFFAOYSA-N 1 2 236.319 2.140 20 30 BEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000598591909 348997829 /nfs/dbraw/zinc/99/78/29/348997829.db2.gz FLJOKQZHGDOLJN-CYBMUJFWSA-N 1 2 249.358 2.055 20 30 BEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000598591909 348997832 /nfs/dbraw/zinc/99/78/32/348997832.db2.gz FLJOKQZHGDOLJN-CYBMUJFWSA-N 1 2 249.358 2.055 20 30 BEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000598621553 349003082 /nfs/dbraw/zinc/00/30/82/349003082.db2.gz AGYZKTFTZUGFIM-JTQLQIEISA-N 1 2 246.301 2.018 20 30 BEEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000598621553 349003085 /nfs/dbraw/zinc/00/30/85/349003085.db2.gz AGYZKTFTZUGFIM-JTQLQIEISA-N 1 2 246.301 2.018 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599268433 349136621 /nfs/dbraw/zinc/13/66/21/349136621.db2.gz YUTGRLUVGCYOHU-OAHLLOKOSA-N 1 2 244.338 2.478 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599268433 349136624 /nfs/dbraw/zinc/13/66/24/349136624.db2.gz YUTGRLUVGCYOHU-OAHLLOKOSA-N 1 2 244.338 2.478 20 30 BEEDLO N#Cc1cnccc1C[NH+](C1CC1)C1CC1 ZINC000599598979 349231965 /nfs/dbraw/zinc/23/19/65/349231965.db2.gz GRXOYQRNRYPKIZ-UHFFFAOYSA-N 1 2 213.284 2.080 20 30 BEEDLO N#CCCC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000599687422 349244503 /nfs/dbraw/zinc/24/45/03/349244503.db2.gz RLEOIBABJOLQHJ-UHFFFAOYSA-N 1 2 234.274 2.324 20 30 BEEDLO N#CCCC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599687422 349244505 /nfs/dbraw/zinc/24/45/05/349244505.db2.gz RLEOIBABJOLQHJ-UHFFFAOYSA-N 1 2 234.274 2.324 20 30 BEEDLO N#CCC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686492 349244774 /nfs/dbraw/zinc/24/47/74/349244774.db2.gz SONOOHXDZNXPTJ-UHFFFAOYSA-N 1 2 225.295 2.024 20 30 BEEDLO N#CCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686492 349244778 /nfs/dbraw/zinc/24/47/78/349244778.db2.gz SONOOHXDZNXPTJ-UHFFFAOYSA-N 1 2 225.295 2.024 20 30 BEEDLO C=CCCC(C)(C)C[NH2+][C@H](C=C)C(=O)OC ZINC000601936395 349390335 /nfs/dbraw/zinc/39/03/35/349390335.db2.gz SOITZVYGYAHJBB-LLVKDONJSA-N 1 2 225.332 2.296 20 30 BEEDLO C=CCCC(C)(C)C[NH2+][C@@H](C=C)C(=O)OC ZINC000601936398 349390634 /nfs/dbraw/zinc/39/06/34/349390634.db2.gz SOITZVYGYAHJBB-NSHDSACASA-N 1 2 225.332 2.296 20 30 BEEDLO C=C[C@@H]([NH2+]CCC(C)(C)CC)C(=O)OC ZINC000601937273 349391139 /nfs/dbraw/zinc/39/11/39/349391139.db2.gz WIIARXDVAKLASI-SNVBAGLBSA-N 1 2 213.321 2.130 20 30 BEEDLO C#C[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000185960460 349383162 /nfs/dbraw/zinc/38/31/62/349383162.db2.gz ADMNWWLFYACBEO-MRVPVSSYSA-N 1 2 201.273 2.096 20 30 BEEDLO C=C[C@H](C)Nc1cc(N[C@@H](C)C=C)[nH+]cn1 ZINC000126910305 191008313 /nfs/dbraw/zinc/00/83/13/191008313.db2.gz LTOHAIZRVPAWIX-UWVGGRQHSA-N 1 2 218.304 2.449 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cccc(O)c1Cl ZINC000328203784 350392929 /nfs/dbraw/zinc/39/29/29/350392929.db2.gz GXMYXHVDYSZJFV-QMMMGPOBSA-N 1 2 224.691 2.295 20 30 BEEDLO N#CC[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000397565442 350917115 /nfs/dbraw/zinc/91/71/15/350917115.db2.gz ABNHAMIUTWYBDW-SNVBAGLBSA-N 1 2 221.329 2.269 20 30 BEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000397565442 350917116 /nfs/dbraw/zinc/91/71/16/350917116.db2.gz ABNHAMIUTWYBDW-SNVBAGLBSA-N 1 2 221.329 2.269 20 30 BEEDLO N#CC[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000397565440 350917394 /nfs/dbraw/zinc/91/73/94/350917394.db2.gz ABNHAMIUTWYBDW-JTQLQIEISA-N 1 2 221.329 2.269 20 30 BEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000397565440 350917397 /nfs/dbraw/zinc/91/73/97/350917397.db2.gz ABNHAMIUTWYBDW-JTQLQIEISA-N 1 2 221.329 2.269 20 30 BEEDLO CC[N@@H+](Cc1ccc(N(C)C)nc1)C[C@@H](C)C#N ZINC000120524998 350934542 /nfs/dbraw/zinc/93/45/42/350934542.db2.gz REYRGBDZNROKMP-LBPRGKRZSA-N 1 2 246.358 2.129 20 30 BEEDLO CC[N@H+](Cc1ccc(N(C)C)nc1)C[C@@H](C)C#N ZINC000120524998 350934545 /nfs/dbraw/zinc/93/45/45/350934545.db2.gz REYRGBDZNROKMP-LBPRGKRZSA-N 1 2 246.358 2.129 20 30 BEEDLO Cc1ccnc(N[C@H](C)c2[nH]cc[nH+]2)c1C#N ZINC000139889798 351296383 /nfs/dbraw/zinc/29/63/83/351296383.db2.gz UTSLWDAOBAYTSK-SECBINFHSA-N 1 2 227.271 2.158 20 30 BEEDLO CCc1ccc(C[N@H+](C)C[C@H](C)C#N)o1 ZINC000271145923 351405696 /nfs/dbraw/zinc/40/56/96/351405696.db2.gz YFLPOLWLINQSTD-SNVBAGLBSA-N 1 2 206.289 2.433 20 30 BEEDLO CCc1ccc(C[N@@H+](C)C[C@H](C)C#N)o1 ZINC000271145923 351405700 /nfs/dbraw/zinc/40/57/00/351405700.db2.gz YFLPOLWLINQSTD-SNVBAGLBSA-N 1 2 206.289 2.433 20 30 BEEDLO COc1cc(C#N)ccc1C[N@H+](C)C[C@H](C)C#N ZINC000271023720 351393951 /nfs/dbraw/zinc/39/39/51/351393951.db2.gz JSWJRBXVVAWLDU-LLVKDONJSA-N 1 2 243.310 2.158 20 30 BEEDLO COc1cc(C#N)ccc1C[N@@H+](C)C[C@H](C)C#N ZINC000271023720 351393954 /nfs/dbraw/zinc/39/39/54/351393954.db2.gz JSWJRBXVVAWLDU-LLVKDONJSA-N 1 2 243.310 2.158 20 30 BEEDLO C[C@@H]1C[C@@H](C/[NH+]=C/c2cccc(O)c2O)CCO1 ZINC000271359512 351413941 /nfs/dbraw/zinc/41/39/41/351413941.db2.gz MYZQEXBVBSVKTI-JDTFSJQSSA-N 1 2 249.310 2.332 20 30 BEEDLO Cn1cccc1[C@H]1CCC[N@@H+]1CCC#N ZINC000272912132 351502172 /nfs/dbraw/zinc/50/21/72/351502172.db2.gz FENZOZRTZHXOPQ-GFCCVEGCSA-N 1 2 203.289 2.076 20 30 BEEDLO Cn1cccc1[C@H]1CCC[N@H+]1CCC#N ZINC000272912132 351502176 /nfs/dbraw/zinc/50/21/76/351502176.db2.gz FENZOZRTZHXOPQ-GFCCVEGCSA-N 1 2 203.289 2.076 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnn(CC(C)C)c1 ZINC000272959043 351503158 /nfs/dbraw/zinc/50/31/58/351503158.db2.gz LYTYEXJLIICBEY-UHFFFAOYSA-N 1 2 234.347 2.275 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnn(CC(C)C)c1 ZINC000272959043 351503160 /nfs/dbraw/zinc/50/31/60/351503160.db2.gz LYTYEXJLIICBEY-UHFFFAOYSA-N 1 2 234.347 2.275 20 30 BEEDLO Oc1cccc(/C=[NH+]/CC[C@@H]2CCCCO2)c1O ZINC000272358409 351469985 /nfs/dbraw/zinc/46/99/85/351469985.db2.gz DTGITRILIVDQRP-XBUHWIKASA-N 1 2 249.310 2.476 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccns2)CCCC1 ZINC000405069323 351580693 /nfs/dbraw/zinc/58/06/93/351580693.db2.gz DAQHSUHRSLLBMB-UHFFFAOYSA-N 1 2 221.329 2.317 20 30 BEEDLO N#CCCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000275636784 351601901 /nfs/dbraw/zinc/60/19/01/351601901.db2.gz CAWUSWLSOJSFEC-ZDUSSCGKSA-N 1 2 240.310 2.392 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cnc(OC)s1 ZINC000637831900 351680936 /nfs/dbraw/zinc/68/09/36/351680936.db2.gz CNBMJYOCPAWCSN-UHFFFAOYSA-N 1 2 224.329 2.326 20 30 BEEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)OC(C)(C)C ZINC000082784293 166336716 /nfs/dbraw/zinc/33/67/16/166336716.db2.gz HPVGMIHZULYKPZ-LLVKDONJSA-N 1 2 225.332 2.391 20 30 BEEDLO Cc1cccc2c1C[N@H+](CCC#N)CC2 ZINC000277019590 351673373 /nfs/dbraw/zinc/67/33/73/351673373.db2.gz AGWGGXUTSMYTCK-UHFFFAOYSA-N 1 2 200.285 2.267 20 30 BEEDLO Cc1cccc2c1C[N@@H+](CCC#N)CC2 ZINC000277019590 351673375 /nfs/dbraw/zinc/67/33/75/351673375.db2.gz AGWGGXUTSMYTCK-UHFFFAOYSA-N 1 2 200.285 2.267 20 30 BEEDLO CCc1cc(NCC2CCC(C#N)CC2)nc[nH+]1 ZINC000619651686 363087441 /nfs/dbraw/zinc/08/74/41/363087441.db2.gz CAFSZIWUPYREEV-UHFFFAOYSA-N 1 2 244.342 2.203 20 30 BEEDLO C[C@H](/[NH+]=C/c1ccccc1O)[C@H]1CCOC1 ZINC000281039505 351872955 /nfs/dbraw/zinc/87/29/55/351872955.db2.gz PGNHAEGWARCDMR-ACULBNTFSA-N 1 2 219.284 2.236 20 30 BEEDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCC#N)o1 ZINC000020199487 352140887 /nfs/dbraw/zinc/14/08/87/352140887.db2.gz VSAAKVVEWBDVCD-MWLCHTKSSA-N 1 2 204.273 2.406 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H]1CCCC1(C)C)C(=O)OC ZINC000386994641 363173396 /nfs/dbraw/zinc/17/33/96/363173396.db2.gz GOIXBLXNAXOBQJ-MNOVXSKESA-N 1 2 225.332 2.130 20 30 BEEDLO C=CCN(CCC#N)Cc1[nH+]ccn1C(C)C ZINC000292042829 352299411 /nfs/dbraw/zinc/29/94/11/352299411.db2.gz APVLFUSRGYUDCM-UHFFFAOYSA-N 1 2 232.331 2.366 20 30 BEEDLO C[C@H]1C[N@H+](CCC#N)Cc2ccccc2O1 ZINC000292539497 352324762 /nfs/dbraw/zinc/32/47/62/352324762.db2.gz XPCRZHNSRFFTIH-NSHDSACASA-N 1 2 216.284 2.183 20 30 BEEDLO C[C@H]1C[N@@H+](CCC#N)Cc2ccccc2O1 ZINC000292539497 352324764 /nfs/dbraw/zinc/32/47/64/352324764.db2.gz XPCRZHNSRFFTIH-NSHDSACASA-N 1 2 216.284 2.183 20 30 BEEDLO CC[N@@H+](Cc1oc(C)nc1C)C[C@H](C)C#N ZINC000618904182 352330774 /nfs/dbraw/zinc/33/07/74/352330774.db2.gz VLTYHTSQQRWPMM-SECBINFHSA-N 1 2 221.304 2.273 20 30 BEEDLO CC[N@H+](Cc1oc(C)nc1C)C[C@H](C)C#N ZINC000618904182 352330779 /nfs/dbraw/zinc/33/07/79/352330779.db2.gz VLTYHTSQQRWPMM-SECBINFHSA-N 1 2 221.304 2.273 20 30 BEEDLO C=C(C)CC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000412068971 191251668 /nfs/dbraw/zinc/25/16/68/191251668.db2.gz GKLNZGKSIXRMNK-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO C=C(C)CC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000412068971 191251671 /nfs/dbraw/zinc/25/16/71/191251671.db2.gz GKLNZGKSIXRMNK-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000271790184 187916139 /nfs/dbraw/zinc/91/61/39/187916139.db2.gz IUGZCIUSKMDCAN-SNVBAGLBSA-N 1 2 225.723 2.213 20 30 BEEDLO Cc1nc(C2([NH2+]CCCC#N)CCCC2)no1 ZINC000161578235 353286914 /nfs/dbraw/zinc/28/69/14/353286914.db2.gz BVLVDOJDLJFAQC-UHFFFAOYSA-N 1 2 234.303 2.041 20 30 BEEDLO C=C1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000276809978 188267100 /nfs/dbraw/zinc/26/71/00/188267100.db2.gz XQXOBYYWIXBUBW-UHFFFAOYSA-N 1 2 234.347 2.185 20 30 BEEDLO C=C(C)C[N@@H+](CC)[C@H](C)c1noc(C)n1 ZINC000278623593 188267357 /nfs/dbraw/zinc/26/73/57/188267357.db2.gz NNUJOWLOTDKJNI-SECBINFHSA-N 1 2 209.293 2.337 20 30 BEEDLO C=C(C)C[N@H+](CC)[C@H](C)c1noc(C)n1 ZINC000278623593 188267358 /nfs/dbraw/zinc/26/73/58/188267358.db2.gz NNUJOWLOTDKJNI-SECBINFHSA-N 1 2 209.293 2.337 20 30 BEEDLO C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000267771807 188260428 /nfs/dbraw/zinc/26/04/28/188260428.db2.gz GQAJKNJNPNBBQX-AWEZNQCLSA-N 1 2 245.322 2.335 20 30 BEEDLO C=C(C)C[N@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC000267771807 188260429 /nfs/dbraw/zinc/26/04/29/188260429.db2.gz GQAJKNJNPNBBQX-AWEZNQCLSA-N 1 2 245.322 2.335 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1noc(CC)n1 ZINC000054316327 353333108 /nfs/dbraw/zinc/33/31/08/353333108.db2.gz SCPGHVFMZMXBJM-UHFFFAOYSA-N 1 2 209.293 2.030 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1noc(CC)n1 ZINC000054316327 353333112 /nfs/dbraw/zinc/33/31/12/353333112.db2.gz SCPGHVFMZMXBJM-UHFFFAOYSA-N 1 2 209.293 2.030 20 30 BEEDLO C#CC[N@@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000190320936 353389141 /nfs/dbraw/zinc/38/91/41/353389141.db2.gz LCJLFQZCTURRJU-OAHLLOKOSA-N 1 2 229.323 2.256 20 30 BEEDLO C#CC[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000190320936 353389144 /nfs/dbraw/zinc/38/91/44/353389144.db2.gz LCJLFQZCTURRJU-OAHLLOKOSA-N 1 2 229.323 2.256 20 30 BEEDLO C=C(C)C[N@@H+](CCc1ccccc1)CC(=O)OC ZINC000180568953 353399060 /nfs/dbraw/zinc/39/90/60/353399060.db2.gz ZVJJEYBRZBDBNL-UHFFFAOYSA-N 1 2 247.338 2.280 20 30 BEEDLO C=C(C)C[N@H+](CCc1ccccc1)CC(=O)OC ZINC000180568953 353399061 /nfs/dbraw/zinc/39/90/61/353399061.db2.gz ZVJJEYBRZBDBNL-UHFFFAOYSA-N 1 2 247.338 2.280 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cn(C(C)(C)C)nn1 ZINC000191161686 353442104 /nfs/dbraw/zinc/44/21/04/353442104.db2.gz RYKQWWPALIPJCO-UHFFFAOYSA-N 1 2 234.347 2.207 20 30 BEEDLO C#CC[N@H+]1CCCC[C@H]1c1nccn1CC ZINC000280990054 353432639 /nfs/dbraw/zinc/43/26/39/353432639.db2.gz LTFYGDGMTJHNAM-LBPRGKRZSA-N 1 2 217.316 2.063 20 30 BEEDLO C#CC[N@@H+]1CCCC[C@H]1c1nccn1CC ZINC000280990054 353432641 /nfs/dbraw/zinc/43/26/41/353432641.db2.gz LTFYGDGMTJHNAM-LBPRGKRZSA-N 1 2 217.316 2.063 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cnc(CC(C)C)s1 ZINC000093475639 353487637 /nfs/dbraw/zinc/48/76/37/353487637.db2.gz NYESHEOJDFNWPB-UHFFFAOYSA-N 1 2 246.379 2.410 20 30 BEEDLO Cc1ncsc1C[N@@H+](C)CC1(C#N)CC1 ZINC000343303932 353492198 /nfs/dbraw/zinc/49/21/98/353492198.db2.gz OVXLGXJGFLBZRS-UHFFFAOYSA-N 1 2 221.329 2.187 20 30 BEEDLO Cc1ncsc1C[N@H+](C)CC1(C#N)CC1 ZINC000343303932 353492200 /nfs/dbraw/zinc/49/22/00/353492200.db2.gz OVXLGXJGFLBZRS-UHFFFAOYSA-N 1 2 221.329 2.187 20 30 BEEDLO C=CCCN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000284005378 353508318 /nfs/dbraw/zinc/50/83/18/353508318.db2.gz DTRMHBGNXKOKGU-MRXNPFEDSA-N 1 2 244.382 2.421 20 30 BEEDLO C=CCCN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000284005378 353508321 /nfs/dbraw/zinc/50/83/21/353508321.db2.gz DTRMHBGNXKOKGU-MRXNPFEDSA-N 1 2 244.382 2.421 20 30 BEEDLO C#CCCCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000192001096 353531860 /nfs/dbraw/zinc/53/18/60/353531860.db2.gz LNFYCPGLECFJOG-GFCCVEGCSA-N 1 2 245.326 2.267 20 30 BEEDLO C#CC[N@@H+](C)Cc1csc(-c2ccco2)n1 ZINC000192219397 353536996 /nfs/dbraw/zinc/53/69/96/353536996.db2.gz MVTMTPPOHPETBO-UHFFFAOYSA-N 1 2 232.308 2.468 20 30 BEEDLO C#CC[N@H+](C)Cc1csc(-c2ccco2)n1 ZINC000192219397 353536998 /nfs/dbraw/zinc/53/69/98/353536998.db2.gz MVTMTPPOHPETBO-UHFFFAOYSA-N 1 2 232.308 2.468 20 30 BEEDLO C#CC[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000192239525 353538220 /nfs/dbraw/zinc/53/82/20/353538220.db2.gz JNUAEKOPQNNGOJ-UHFFFAOYSA-N 1 2 206.314 2.086 20 30 BEEDLO C#CC[N@H+](C)Cc1csc(C2CC2)n1 ZINC000192239525 353538224 /nfs/dbraw/zinc/53/82/24/353538224.db2.gz JNUAEKOPQNNGOJ-UHFFFAOYSA-N 1 2 206.314 2.086 20 30 BEEDLO C[N@H+](CCC(F)(F)F)CC1(C#N)CC1 ZINC000343311065 353583580 /nfs/dbraw/zinc/58/35/80/353583580.db2.gz NHYRIMRRPDZJDN-UHFFFAOYSA-N 1 2 206.211 2.174 20 30 BEEDLO C[N@@H+](CCC(F)(F)F)CC1(C#N)CC1 ZINC000343311065 353583581 /nfs/dbraw/zinc/58/35/81/353583581.db2.gz NHYRIMRRPDZJDN-UHFFFAOYSA-N 1 2 206.211 2.174 20 30 BEEDLO C=CC[N@@H+](C)Cc1cn(-c2ccccc2C)nn1 ZINC000289678910 353626089 /nfs/dbraw/zinc/62/60/89/353626089.db2.gz MQTFLVHCOMDNKQ-UHFFFAOYSA-N 1 2 242.326 2.194 20 30 BEEDLO C=CC[N@H+](C)Cc1cn(-c2ccccc2C)nn1 ZINC000289678910 353626092 /nfs/dbraw/zinc/62/60/92/353626092.db2.gz MQTFLVHCOMDNKQ-UHFFFAOYSA-N 1 2 242.326 2.194 20 30 BEEDLO C=CCCC[N@@H+](C)[C@@H](C)c1noc(C)n1 ZINC000289734132 353638091 /nfs/dbraw/zinc/63/80/91/353638091.db2.gz HRELYOXPDOQRHJ-VIFPVBQESA-N 1 2 209.293 2.337 20 30 BEEDLO C=CCCC[N@H+](C)[C@@H](C)c1noc(C)n1 ZINC000289734132 353638094 /nfs/dbraw/zinc/63/80/94/353638094.db2.gz HRELYOXPDOQRHJ-VIFPVBQESA-N 1 2 209.293 2.337 20 30 BEEDLO C#Cc1ccc(C[N@@H+](CC(=O)OC)C(C)C)cc1 ZINC000289145468 353619059 /nfs/dbraw/zinc/61/90/59/353619059.db2.gz PTTFYKHLEPZDGT-UHFFFAOYSA-N 1 2 245.322 2.051 20 30 BEEDLO C#Cc1ccc(C[N@H+](CC(=O)OC)C(C)C)cc1 ZINC000289145468 353619062 /nfs/dbraw/zinc/61/90/62/353619062.db2.gz PTTFYKHLEPZDGT-UHFFFAOYSA-N 1 2 245.322 2.051 20 30 BEEDLO C=C1CC[NH+](Cc2cnc([C@@H](C)O)s2)CC1 ZINC000289257398 353620582 /nfs/dbraw/zinc/62/05/82/353620582.db2.gz CUUBTICLBLLSEB-SNVBAGLBSA-N 1 2 238.356 2.348 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nnc(C(C)C)[nH]1 ZINC000292302906 353708726 /nfs/dbraw/zinc/70/87/26/353708726.db2.gz ZYTLSJPPBXXBIC-UHFFFAOYSA-N 1 2 222.336 2.326 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nnc(C(C)C)[nH]1 ZINC000292302906 353708729 /nfs/dbraw/zinc/70/87/29/353708729.db2.gz ZYTLSJPPBXXBIC-UHFFFAOYSA-N 1 2 222.336 2.326 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000293164388 353735448 /nfs/dbraw/zinc/73/54/48/353735448.db2.gz OWVZSIOICHHGSV-UHFFFAOYSA-N 1 2 248.282 2.059 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000293164388 353735451 /nfs/dbraw/zinc/73/54/51/353735451.db2.gz OWVZSIOICHHGSV-UHFFFAOYSA-N 1 2 248.282 2.059 20 30 BEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000293066911 353737187 /nfs/dbraw/zinc/73/71/87/353737187.db2.gz ISYJPNWXBFVZAG-LLVKDONJSA-N 1 2 248.301 2.108 20 30 BEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000293066911 353737191 /nfs/dbraw/zinc/73/71/91/353737191.db2.gz ISYJPNWXBFVZAG-LLVKDONJSA-N 1 2 248.301 2.108 20 30 BEEDLO C=CC[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000185391593 353802469 /nfs/dbraw/zinc/80/24/69/353802469.db2.gz UZATYYXQLGKVBQ-LLVKDONJSA-N 1 2 243.310 2.497 20 30 BEEDLO C=CCC(CC=C)C(=O)NCc1[nH+]ccn1CC ZINC000295744697 353812740 /nfs/dbraw/zinc/81/27/40/353812740.db2.gz MWGIXTSIJBQOTK-UHFFFAOYSA-N 1 2 247.342 2.288 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)NCc1[nH+]ccn1CC ZINC000295806305 353814798 /nfs/dbraw/zinc/81/47/98/353814798.db2.gz SHRSJXXZFLHRDM-NSHDSACASA-N 1 2 235.331 2.122 20 30 BEEDLO C#C[C@H](NC(=O)Nc1c(C)cc[nH+]c1C)C(C)C ZINC000297162824 353839464 /nfs/dbraw/zinc/83/94/64/353839464.db2.gz VGOUZJYHOPOHTG-LBPRGKRZSA-N 1 2 245.326 2.478 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000185888924 353859658 /nfs/dbraw/zinc/85/96/58/353859658.db2.gz XTIAFGOUUPZEHT-ZDUSSCGKSA-N 1 2 249.358 2.334 20 30 BEEDLO Cc1ccc(NC(=O)[C@]2(C#N)C[C@H]2C)c(C)[nH+]1 ZINC000334540108 353973332 /nfs/dbraw/zinc/97/33/32/353973332.db2.gz GPUYAJMELDYNNT-OQPBUACISA-N 1 2 229.283 2.187 20 30 BEEDLO COc1cncc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000343720382 353958670 /nfs/dbraw/zinc/95/86/70/353958670.db2.gz VBUOHNOHHRNEIU-NSHDSACASA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cncc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000343720382 353958672 /nfs/dbraw/zinc/95/86/72/353958672.db2.gz VBUOHNOHHRNEIU-NSHDSACASA-N 1 2 245.326 2.214 20 30 BEEDLO N#Cc1c(C[N@H+]2CC[C@@H](F)C2)cn2ccccc12 ZINC000336259486 181073095 /nfs/dbraw/zinc/07/30/95/181073095.db2.gz FXORFHIEGHOCST-GFCCVEGCSA-N 1 2 243.285 2.355 20 30 BEEDLO N#Cc1c(C[N@@H+]2CC[C@@H](F)C2)cn2ccccc12 ZINC000336259486 181073096 /nfs/dbraw/zinc/07/30/96/181073096.db2.gz FXORFHIEGHOCST-GFCCVEGCSA-N 1 2 243.285 2.355 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000226925241 181145744 /nfs/dbraw/zinc/14/57/44/181145744.db2.gz NVHAGPJIFNQDST-HUUCEWRRSA-N 1 2 242.322 2.312 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000226925241 181145747 /nfs/dbraw/zinc/14/57/47/181145747.db2.gz NVHAGPJIFNQDST-HUUCEWRRSA-N 1 2 242.322 2.312 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000301047800 363379870 /nfs/dbraw/zinc/37/98/70/363379870.db2.gz PVRMYMZHILZWLZ-UTUOFQBUSA-N 1 2 225.332 2.130 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)C(=O)OC ZINC000301051478 363396760 /nfs/dbraw/zinc/39/67/60/363396760.db2.gz UPCMYSNRIPBDSN-KKOKHZNYSA-N 1 2 225.332 2.128 20 30 BEEDLO CCCN(CC#N)Cc1c[nH+]c2cccc(C)n12 ZINC000352656224 535273273 /nfs/dbraw/zinc/27/32/73/535273273.db2.gz ZZCHBHIHBCJGJL-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(F)cn1)C1CC1 ZINC000346471351 354955261 /nfs/dbraw/zinc/95/52/61/354955261.db2.gz OVOTZGUWAUAFSS-JTQLQIEISA-N 1 2 233.290 2.345 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(F)cn1)C1CC1 ZINC000346471351 354955263 /nfs/dbraw/zinc/95/52/63/354955263.db2.gz OVOTZGUWAUAFSS-JTQLQIEISA-N 1 2 233.290 2.345 20 30 BEEDLO C=C(C)C(C)(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000335230168 355073234 /nfs/dbraw/zinc/07/32/34/355073234.db2.gz GZYJSILGTBRUIF-UHFFFAOYSA-N 1 2 218.300 2.353 20 30 BEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000335184013 355082593 /nfs/dbraw/zinc/08/25/93/355082593.db2.gz GYZWSDQDSUDWNR-ONGXEEELSA-N 1 2 246.339 2.178 20 30 BEEDLO CCC[N@@H+](CC#N)CCCC1CCOCC1 ZINC000346818225 355124210 /nfs/dbraw/zinc/12/42/10/355124210.db2.gz GYBQGJFNTJARNF-UHFFFAOYSA-N 1 2 224.348 2.429 20 30 BEEDLO CCC[N@H+](CC#N)CCCC1CCOCC1 ZINC000346818225 355124213 /nfs/dbraw/zinc/12/42/13/355124213.db2.gz GYBQGJFNTJARNF-UHFFFAOYSA-N 1 2 224.348 2.429 20 30 BEEDLO C=C(C)C[C@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346949932 355163298 /nfs/dbraw/zinc/16/32/98/355163298.db2.gz WKVYWDGOPHFVJI-JTQLQIEISA-N 1 2 246.314 2.464 20 30 BEEDLO N#CCCSCc1c[nH+]c2ccccn12 ZINC000413011074 191339760 /nfs/dbraw/zinc/33/97/60/191339760.db2.gz IMODBVPRVYEFFQ-UHFFFAOYSA-N 1 2 217.297 2.481 20 30 BEEDLO C[C@@H](CC1CCOCC1)C[N@H+](CC#N)C1CC1 ZINC000349980495 355560096 /nfs/dbraw/zinc/56/00/96/355560096.db2.gz ZNLLWYAKMUQXKD-LBPRGKRZSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@@H](CC1CCOCC1)C[N@@H+](CC#N)C1CC1 ZINC000349980495 355560098 /nfs/dbraw/zinc/56/00/98/355560098.db2.gz ZNLLWYAKMUQXKD-LBPRGKRZSA-N 1 2 236.359 2.427 20 30 BEEDLO C=C(C)C[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000335880608 355669151 /nfs/dbraw/zinc/66/91/51/355669151.db2.gz UFXDBQDIOYLAJG-UHFFFAOYSA-N 1 2 246.358 2.327 20 30 BEEDLO C=C(C)C[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000335880608 355669153 /nfs/dbraw/zinc/66/91/53/355669153.db2.gz UFXDBQDIOYLAJG-UHFFFAOYSA-N 1 2 246.358 2.327 20 30 BEEDLO COc1c(O)cccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000350467221 355708789 /nfs/dbraw/zinc/70/87/89/355708789.db2.gz ZWPKAQSGUVPWAR-CMPLNLGQSA-N 1 2 246.310 2.183 20 30 BEEDLO C[C@H]1OCC[C@@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000329035670 355890305 /nfs/dbraw/zinc/89/03/05/355890305.db2.gz YOOYSEATQFYJES-KOLCDFICSA-N 1 2 245.282 2.347 20 30 BEEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000583641538 355947015 /nfs/dbraw/zinc/94/70/15/355947015.db2.gz TVQSQIZHPBXTMC-BXKDBHETSA-N 1 2 221.304 2.189 20 30 BEEDLO C=C(C)C[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608749509 355972090 /nfs/dbraw/zinc/97/20/90/355972090.db2.gz JJJUMNJGDWANBT-IUCAKERBSA-N 1 2 223.238 2.214 20 30 BEEDLO C=C(C)C[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608749509 355972095 /nfs/dbraw/zinc/97/20/95/355972095.db2.gz JJJUMNJGDWANBT-IUCAKERBSA-N 1 2 223.238 2.214 20 30 BEEDLO COc1cc[nH+]cc1NC(=O)C[C@H]1CCOC1 ZINC000329846155 356130507 /nfs/dbraw/zinc/13/05/07/356130507.db2.gz OTMVROFZLFMATC-SECBINFHSA-N 1 2 236.271 2.105 20 30 BEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000330187393 356180680 /nfs/dbraw/zinc/18/06/80/356180680.db2.gz KJTROTALFYFNCV-RKDXNWHRSA-N 1 2 225.267 2.108 20 30 BEEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000330187393 356180684 /nfs/dbraw/zinc/18/06/84/356180684.db2.gz KJTROTALFYFNCV-RKDXNWHRSA-N 1 2 225.267 2.108 20 30 BEEDLO C=CC[N@H+](Cc1nc(CC2CC2)no1)C1CC1 ZINC000639559801 356470714 /nfs/dbraw/zinc/47/07/14/356470714.db2.gz UCNHZBIKNDUTJQ-UHFFFAOYSA-N 1 2 233.315 2.173 20 30 BEEDLO C=CC[N@@H+](Cc1nc(CC2CC2)no1)C1CC1 ZINC000639559801 356470716 /nfs/dbraw/zinc/47/07/16/356470716.db2.gz UCNHZBIKNDUTJQ-UHFFFAOYSA-N 1 2 233.315 2.173 20 30 BEEDLO Cc1cc(N[C@@H]2CCOC(C)(C)C2)c(C#N)c[nH+]1 ZINC000399378039 356476777 /nfs/dbraw/zinc/47/67/77/356476777.db2.gz MTXMWZKZZDKZDQ-GFCCVEGCSA-N 1 2 245.326 2.053 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccn1 ZINC000639616020 356534289 /nfs/dbraw/zinc/53/42/89/356534289.db2.gz AQVUSOMTTVLWRS-LBPRGKRZSA-N 1 2 245.326 2.061 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccn1 ZINC000639616020 356534291 /nfs/dbraw/zinc/53/42/91/356534291.db2.gz AQVUSOMTTVLWRS-LBPRGKRZSA-N 1 2 245.326 2.061 20 30 BEEDLO C[C@H]1[N@H+](CC2(C#N)CCC2)CCOC1(C)C ZINC000336186614 134121682 /nfs/dbraw/zinc/12/16/82/134121682.db2.gz MJEBMNGEENLBMW-LLVKDONJSA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@H]1[N@@H+](CC2(C#N)CCC2)CCOC1(C)C ZINC000336186614 134121683 /nfs/dbraw/zinc/12/16/83/134121683.db2.gz MJEBMNGEENLBMW-LLVKDONJSA-N 1 2 222.332 2.180 20 30 BEEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421009565 192299570 /nfs/dbraw/zinc/29/95/70/192299570.db2.gz BSCXKNLBULNWGQ-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@]12CCOC2 ZINC000421009565 192299572 /nfs/dbraw/zinc/29/95/72/192299572.db2.gz BSCXKNLBULNWGQ-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO CCN(Cc1cccc2[nH+]ccn21)C[C@@H](C)C#N ZINC000179772669 366303640 /nfs/dbraw/zinc/30/36/40/366303640.db2.gz RBGXQVZYXCLIKV-LBPRGKRZSA-N 1 2 242.326 2.316 20 30 BEEDLO COCCCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000352403765 134143509 /nfs/dbraw/zinc/14/35/09/134143509.db2.gz XVPYUHIFXFTXGN-GFCCVEGCSA-N 1 2 224.348 2.427 20 30 BEEDLO COCCCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000352403765 134143510 /nfs/dbraw/zinc/14/35/10/134143510.db2.gz XVPYUHIFXFTXGN-GFCCVEGCSA-N 1 2 224.348 2.427 20 30 BEEDLO CCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000336549375 134149487 /nfs/dbraw/zinc/14/94/87/134149487.db2.gz OSGRFGYNMRBJRF-OLZOCXBDSA-N 1 2 222.332 2.324 20 30 BEEDLO CCC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000336549375 134149488 /nfs/dbraw/zinc/14/94/88/134149488.db2.gz OSGRFGYNMRBJRF-OLZOCXBDSA-N 1 2 222.332 2.324 20 30 BEEDLO C=C(C)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620994 134149542 /nfs/dbraw/zinc/14/95/42/134149542.db2.gz KKYRPRYZPLXYLI-UHFFFAOYSA-N 1 2 248.282 2.365 20 30 BEEDLO C=C(C)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352620994 134149543 /nfs/dbraw/zinc/14/95/43/134149543.db2.gz KKYRPRYZPLXYLI-UHFFFAOYSA-N 1 2 248.282 2.365 20 30 BEEDLO CC[N@H+](CCC#N)[C@H](C)c1cnc(C)cn1 ZINC000331198995 134150914 /nfs/dbraw/zinc/15/09/14/134150914.db2.gz XYDKJCVXWSCKSI-LLVKDONJSA-N 1 2 218.304 2.082 20 30 BEEDLO CC[N@@H+](CCC#N)[C@H](C)c1cnc(C)cn1 ZINC000331198995 134150915 /nfs/dbraw/zinc/15/09/15/134150915.db2.gz XYDKJCVXWSCKSI-LLVKDONJSA-N 1 2 218.304 2.082 20 30 BEEDLO CCCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)OC ZINC000613647071 363553455 /nfs/dbraw/zinc/55/34/55/363553455.db2.gz OPRVMVUUXLFGNA-WOPDTQHZSA-N 1 2 238.331 2.000 20 30 BEEDLO C=CCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000301095306 134156271 /nfs/dbraw/zinc/15/62/71/134156271.db2.gz OINWSEAOTBSIIL-UHFFFAOYSA-N 1 2 226.283 2.445 20 30 BEEDLO C=C1CC[NH+](Cc2csc(COC)n2)CC1 ZINC000353313392 134162988 /nfs/dbraw/zinc/16/29/88/134162988.db2.gz ZQTAHKXIQGIKQP-UHFFFAOYSA-N 1 2 238.356 2.442 20 30 BEEDLO Cc1ccc(O)c(C[N@@H+](C[C@H](C)C#N)C2CC2)n1 ZINC000354034458 134166108 /nfs/dbraw/zinc/16/61/08/134166108.db2.gz RBCLVXPKKGXTJG-SNVBAGLBSA-N 1 2 245.326 2.220 20 30 BEEDLO Cc1ccc(O)c(C[N@H+](C[C@H](C)C#N)C2CC2)n1 ZINC000354034458 134166109 /nfs/dbraw/zinc/16/61/09/134166109.db2.gz RBCLVXPKKGXTJG-SNVBAGLBSA-N 1 2 245.326 2.220 20 30 BEEDLO Cc1cnc(CNc2cc(C)[nH+]cc2C#N)s1 ZINC000399578921 356981628 /nfs/dbraw/zinc/98/16/28/356981628.db2.gz KXIDWHVHDRSSID-UHFFFAOYSA-N 1 2 244.323 2.061 20 30 BEEDLO CC#CC[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000369626941 356989186 /nfs/dbraw/zinc/98/91/86/356989186.db2.gz WXIGIVUNCXLICW-LBPRGKRZSA-N 1 2 204.273 2.143 20 30 BEEDLO CC#CC[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000369626941 356989190 /nfs/dbraw/zinc/98/91/90/356989190.db2.gz WXIGIVUNCXLICW-LBPRGKRZSA-N 1 2 204.273 2.143 20 30 BEEDLO C[C@@H]1C[C@@H]([NH2+]CCC#N)c2ccccc2O1 ZINC000582780774 357390619 /nfs/dbraw/zinc/39/06/19/357390619.db2.gz GAUVEDUNTPBMLY-ZYHUDNBSSA-N 1 2 216.284 2.402 20 30 BEEDLO COC[C@H](C)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000582824895 357408030 /nfs/dbraw/zinc/40/80/30/357408030.db2.gz HWAJSGOWVRATFC-VXGBXAGGSA-N 1 2 224.348 2.283 20 30 BEEDLO COC[C@H](C)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000582824895 357408032 /nfs/dbraw/zinc/40/80/32/357408032.db2.gz HWAJSGOWVRATFC-VXGBXAGGSA-N 1 2 224.348 2.283 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1cc(F)ccc1C#N ZINC000191136651 357753068 /nfs/dbraw/zinc/75/30/68/357753068.db2.gz ZKRMELNORIUORH-UHFFFAOYSA-N 1 2 248.301 2.332 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1cc(F)ccc1C#N ZINC000191136651 357753069 /nfs/dbraw/zinc/75/30/69/357753069.db2.gz ZKRMELNORIUORH-UHFFFAOYSA-N 1 2 248.301 2.332 20 30 BEEDLO CCN(C)c1ccc(C[N@H+](C)[C@@H](C)CC#N)cn1 ZINC000191324823 357766000 /nfs/dbraw/zinc/76/60/00/357766000.db2.gz HEEYTOSEXDBKIM-LBPRGKRZSA-N 1 2 246.358 2.272 20 30 BEEDLO CCN(C)c1ccc(C[N@@H+](C)[C@@H](C)CC#N)cn1 ZINC000191324823 357766002 /nfs/dbraw/zinc/76/60/02/357766002.db2.gz HEEYTOSEXDBKIM-LBPRGKRZSA-N 1 2 246.358 2.272 20 30 BEEDLO Cc1cc(-n2cc[nH+]c2)ccc1CN(C)CC#N ZINC000191986989 357819714 /nfs/dbraw/zinc/81/97/14/357819714.db2.gz GCCROIGVARHFHS-UHFFFAOYSA-N 1 2 240.310 2.136 20 30 BEEDLO C=CCN(CCOC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000192385383 357830604 /nfs/dbraw/zinc/83/06/04/357830604.db2.gz ZMHVBVBRVFPVLX-UHFFFAOYSA-N 1 2 249.314 2.056 20 30 BEEDLO CC#CCCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000372106763 134230539 /nfs/dbraw/zinc/23/05/39/134230539.db2.gz BAYREVQKOOXFOF-GFCCVEGCSA-N 1 2 245.326 2.267 20 30 BEEDLO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC#N)C1 ZINC000373914658 134235134 /nfs/dbraw/zinc/23/51/34/134235134.db2.gz YGFPAFFMZWICJT-SYQHCUMBSA-N 1 2 236.359 2.162 20 30 BEEDLO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC#N)C1 ZINC000373914658 134235135 /nfs/dbraw/zinc/23/51/35/134235135.db2.gz YGFPAFFMZWICJT-SYQHCUMBSA-N 1 2 236.359 2.162 20 30 BEEDLO Cc1ccc2c(c1C)OC[C@H]2[NH2+]CCC#N ZINC000584464925 357992604 /nfs/dbraw/zinc/99/26/04/357992604.db2.gz MWIBQJOTMZDZDW-GFCCVEGCSA-N 1 2 216.284 2.240 20 30 BEEDLO COc1ccc(COCC[N@H+](C)CCC#N)cc1 ZINC000610582320 358004767 /nfs/dbraw/zinc/00/47/67/358004767.db2.gz LBEQTEGFWLVSOE-UHFFFAOYSA-N 1 2 248.326 2.057 20 30 BEEDLO COc1ccc(COCC[N@@H+](C)CCC#N)cc1 ZINC000610582320 358004773 /nfs/dbraw/zinc/00/47/73/358004773.db2.gz LBEQTEGFWLVSOE-UHFFFAOYSA-N 1 2 248.326 2.057 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000610897302 358228857 /nfs/dbraw/zinc/22/88/57/358228857.db2.gz HYOKINNSNBXCHH-LLVKDONJSA-N 1 2 232.331 2.390 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000054341324 358859711 /nfs/dbraw/zinc/85/97/11/358859711.db2.gz MBDNFSACRVRYSO-JTQLQIEISA-N 1 2 241.722 2.310 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000054341324 358859713 /nfs/dbraw/zinc/85/97/13/358859713.db2.gz MBDNFSACRVRYSO-JTQLQIEISA-N 1 2 241.722 2.310 20 30 BEEDLO CC[C@H](Nc1cccc(C#N)n1)c1[nH]cc[nH+]1 ZINC000139773314 358913650 /nfs/dbraw/zinc/91/36/50/358913650.db2.gz QLXJSMNVKADMPB-JTQLQIEISA-N 1 2 227.271 2.240 20 30 BEEDLO CC[N@H+](CCC#N)Cc1[nH]nc2ccccc21 ZINC000611253911 359275069 /nfs/dbraw/zinc/27/50/69/359275069.db2.gz STLYSMJOCKKSCR-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1[nH]nc2ccccc21 ZINC000611253911 359275071 /nfs/dbraw/zinc/27/50/71/359275071.db2.gz STLYSMJOCKKSCR-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO C[N@H+](Cc1ccsc1)CC1(C#N)CC1 ZINC000611429003 359367232 /nfs/dbraw/zinc/36/72/32/359367232.db2.gz WMWRKURWIGVRIS-UHFFFAOYSA-N 1 2 206.314 2.484 20 30 BEEDLO C[N@@H+](Cc1ccsc1)CC1(C#N)CC1 ZINC000611429003 359367233 /nfs/dbraw/zinc/36/72/33/359367233.db2.gz WMWRKURWIGVRIS-UHFFFAOYSA-N 1 2 206.314 2.484 20 30 BEEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC1(C#N)CC1 ZINC000611430778 359369496 /nfs/dbraw/zinc/36/94/96/359369496.db2.gz AGWOMWHFFHWSHD-LBPRGKRZSA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC1(C#N)CC1 ZINC000611430778 359369502 /nfs/dbraw/zinc/36/95/02/359369502.db2.gz AGWOMWHFFHWSHD-LBPRGKRZSA-N 1 2 244.342 2.033 20 30 BEEDLO N#Cc1ccc(F)cc1C[N@H+]1CC=CCC1 ZINC000611517464 359387394 /nfs/dbraw/zinc/38/73/94/359387394.db2.gz FSBNRTLXIHODRX-UHFFFAOYSA-N 1 2 216.259 2.459 20 30 BEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC=CCC1 ZINC000611517464 359387398 /nfs/dbraw/zinc/38/73/98/359387398.db2.gz FSBNRTLXIHODRX-UHFFFAOYSA-N 1 2 216.259 2.459 20 30 BEEDLO C#CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000274037063 359509617 /nfs/dbraw/zinc/50/96/17/359509617.db2.gz DWQUJRKGGPVDOV-UHFFFAOYSA-N 1 2 236.296 2.254 20 30 BEEDLO C#CC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000274037063 359509619 /nfs/dbraw/zinc/50/96/19/359509619.db2.gz DWQUJRKGGPVDOV-UHFFFAOYSA-N 1 2 236.296 2.254 20 30 BEEDLO COc1ccc2[nH+]c(NCCCC#N)ccc2c1 ZINC000612097127 359646433 /nfs/dbraw/zinc/64/64/33/359646433.db2.gz QSVGLUAVGCVZOT-UHFFFAOYSA-N 1 2 241.294 2.381 20 30 BEEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccncc2)C1 ZINC000612167683 359717262 /nfs/dbraw/zinc/71/72/62/359717262.db2.gz ULKZZLFQHBYNOJ-CYBMUJFWSA-N 1 2 215.300 2.207 20 30 BEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccncc2)C1 ZINC000612167683 359717266 /nfs/dbraw/zinc/71/72/66/359717266.db2.gz ULKZZLFQHBYNOJ-CYBMUJFWSA-N 1 2 215.300 2.207 20 30 BEEDLO COc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccn1 ZINC000612159503 359710411 /nfs/dbraw/zinc/71/04/11/359710411.db2.gz CFVLAAASLMCYPX-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccn1 ZINC000612159503 359710415 /nfs/dbraw/zinc/71/04/15/359710415.db2.gz CFVLAAASLMCYPX-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO CCn1cc[nH+]c1CN1CCC[C@@](C)(C#N)C1 ZINC000612164739 359719189 /nfs/dbraw/zinc/71/91/89/359719189.db2.gz GBIIAKGZODQENK-ZDUSSCGKSA-N 1 2 232.331 2.029 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000450881675 202295194 /nfs/dbraw/zinc/29/51/94/202295194.db2.gz MVJNFXJMZLLVLC-AWEZNQCLSA-N 1 2 246.358 2.229 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000450881675 202295197 /nfs/dbraw/zinc/29/51/97/202295197.db2.gz MVJNFXJMZLLVLC-AWEZNQCLSA-N 1 2 246.358 2.229 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H](C)c1ccc(C)cc1)C(=O)OC ZINC000619702716 363679962 /nfs/dbraw/zinc/67/99/62/363679962.db2.gz QDNIHLCBKQITFE-OCCSQVGLSA-N 1 2 247.338 2.416 20 30 BEEDLO CC[N@H+](CC#Cc1ccccc1Cl)C1COC1 ZINC000451289034 202398168 /nfs/dbraw/zinc/39/81/68/202398168.db2.gz UUCQNUBNIOAZBO-UHFFFAOYSA-N 1 2 249.741 2.412 20 30 BEEDLO CC[N@@H+](CC#Cc1ccccc1Cl)C1COC1 ZINC000451289034 202398172 /nfs/dbraw/zinc/39/81/72/202398172.db2.gz UUCQNUBNIOAZBO-UHFFFAOYSA-N 1 2 249.741 2.412 20 30 BEEDLO N#CC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000088781585 359978463 /nfs/dbraw/zinc/97/84/63/359978463.db2.gz NVRYERZSGCILJN-UHFFFAOYSA-N 1 2 235.718 2.471 20 30 BEEDLO Cc1[nH+]cc(CNCCC#N)n1-c1ccccc1 ZINC000092128754 360154136 /nfs/dbraw/zinc/15/41/36/360154136.db2.gz VCIMAJHAXIGFOZ-UHFFFAOYSA-N 1 2 240.310 2.184 20 30 BEEDLO Cc1ncc(C[NH2+]CCC#N)n1-c1ccccc1 ZINC000092128754 360154137 /nfs/dbraw/zinc/15/41/37/360154137.db2.gz VCIMAJHAXIGFOZ-UHFFFAOYSA-N 1 2 240.310 2.184 20 30 BEEDLO CCOc1ccc(C[NH2+][C@@H](CC)CC#N)nc1 ZINC000613044463 360297632 /nfs/dbraw/zinc/29/76/32/360297632.db2.gz NFUQEVMSXGRXSW-NSHDSACASA-N 1 2 233.315 2.262 20 30 BEEDLO COc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1OC ZINC000097078783 360360780 /nfs/dbraw/zinc/36/07/80/360360780.db2.gz YVQPXPXHSSRRDL-NSHDSACASA-N 1 2 248.326 2.438 20 30 BEEDLO COc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1OC ZINC000097078783 360360786 /nfs/dbraw/zinc/36/07/86/360360786.db2.gz YVQPXPXHSSRRDL-NSHDSACASA-N 1 2 248.326 2.438 20 30 BEEDLO C=C(Br)C[N@H+]1CCCOC[C@H]1C ZINC000306529901 360374893 /nfs/dbraw/zinc/37/48/93/360374893.db2.gz IVOJHFZRCDDQHY-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@@H+]1CCCOC[C@H]1C ZINC000306529901 360374896 /nfs/dbraw/zinc/37/48/96/360374896.db2.gz IVOJHFZRCDDQHY-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO C=C[C@@H]([NH2+]CCCC1CCCC1)C(=O)OC ZINC000300771322 360486376 /nfs/dbraw/zinc/48/63/76/360486376.db2.gz BGQZINWRBIQDDD-GFCCVEGCSA-N 1 2 225.332 2.274 20 30 BEEDLO COc1nc(C)cc(C)c1C[NH2+][C@H](C)CC#N ZINC000067406845 370668791 /nfs/dbraw/zinc/66/87/91/370668791.db2.gz XPACOOHNIVPMDS-SNVBAGLBSA-N 1 2 233.315 2.099 20 30 BEEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cn1 ZINC000153850844 360778749 /nfs/dbraw/zinc/77/87/49/360778749.db2.gz LMVKSZRXKYUQLZ-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)cn1 ZINC000153850844 360778754 /nfs/dbraw/zinc/77/87/54/360778754.db2.gz LMVKSZRXKYUQLZ-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO C=C[C@@H]1CCCCN1c1nc[nH+]c(N)c1Cl ZINC000381205539 361075293 /nfs/dbraw/zinc/07/52/93/361075293.db2.gz GESUYYZNCXURKP-MRVPVSSYSA-N 1 2 238.722 2.257 20 30 BEEDLO CCN(CC#N)CCCc1ccc(C)[nH+]c1 ZINC000428472722 201021659 /nfs/dbraw/zinc/02/16/59/201021659.db2.gz JHSCDJAGQQKNLG-UHFFFAOYSA-N 1 2 217.316 2.168 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CCC(C)(C)O1 ZINC000428843096 201046096 /nfs/dbraw/zinc/04/60/96/201046096.db2.gz UWFUMAHADPLKLG-LBPRGKRZSA-N 1 2 222.332 2.346 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H]1CCC(C)(C)O1 ZINC000428843096 201046099 /nfs/dbraw/zinc/04/60/99/201046099.db2.gz UWFUMAHADPLKLG-LBPRGKRZSA-N 1 2 222.332 2.346 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579373081 366773030 /nfs/dbraw/zinc/77/30/30/366773030.db2.gz WMVYIYHPLHFPHC-NWDGAFQWSA-N 1 2 249.358 2.449 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579373081 366773037 /nfs/dbraw/zinc/77/30/37/366773037.db2.gz WMVYIYHPLHFPHC-NWDGAFQWSA-N 1 2 249.358 2.449 20 30 BEEDLO COc1ccc(C[N@H+](C)CC(C)(C)C#N)nc1 ZINC000433297557 201177192 /nfs/dbraw/zinc/17/71/92/201177192.db2.gz LOFGUDSUGSUDKW-UHFFFAOYSA-N 1 2 233.315 2.072 20 30 BEEDLO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)nc1 ZINC000433297557 201177194 /nfs/dbraw/zinc/17/71/94/201177194.db2.gz LOFGUDSUGSUDKW-UHFFFAOYSA-N 1 2 233.315 2.072 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435132308 201251458 /nfs/dbraw/zinc/25/14/58/201251458.db2.gz ISNPTLUQFLHAME-UHFFFAOYSA-N 1 2 244.298 2.405 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435132308 201251459 /nfs/dbraw/zinc/25/14/59/201251459.db2.gz ISNPTLUQFLHAME-UHFFFAOYSA-N 1 2 244.298 2.405 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCc2cccc(C)c2C1 ZINC000619722603 363951625 /nfs/dbraw/zinc/95/16/25/363951625.db2.gz XUYHTDRGOAKPNP-AWEZNQCLSA-N 1 2 245.322 2.081 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCc2cccc(C)c2C1 ZINC000619722603 363951633 /nfs/dbraw/zinc/95/16/33/363951633.db2.gz XUYHTDRGOAKPNP-AWEZNQCLSA-N 1 2 245.322 2.081 20 30 BEEDLO C=C(C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000579493045 366832294 /nfs/dbraw/zinc/83/22/94/366832294.db2.gz YAIXXPREYICDFZ-UHFFFAOYSA-N 1 2 243.310 2.339 20 30 BEEDLO Cc1cccn2c(NC(=O)C(C)(C)C#N)c[nH+]c12 ZINC000598261796 541382189 /nfs/dbraw/zinc/38/21/89/541382189.db2.gz JJWSHKYUQHDYNF-UHFFFAOYSA-N 1 2 242.282 2.131 20 30 BEEDLO C=CC[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182230828 366877611 /nfs/dbraw/zinc/87/76/11/366877611.db2.gz XSRLYXTVUCPDEM-UHFFFAOYSA-N 1 2 236.281 2.131 20 30 BEEDLO C=CC[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182230828 366877613 /nfs/dbraw/zinc/87/76/13/366877613.db2.gz XSRLYXTVUCPDEM-UHFFFAOYSA-N 1 2 236.281 2.131 20 30 BEEDLO CCCC(=O)Nc1cccc(C[NH2+]CCC#N)c1 ZINC000576149447 365500251 /nfs/dbraw/zinc/50/02/51/365500251.db2.gz XANKQWMNHSWCAE-UHFFFAOYSA-N 1 2 245.326 2.428 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000183817095 367048851 /nfs/dbraw/zinc/04/88/51/367048851.db2.gz VLPHLCDURMCFOD-LLVKDONJSA-N 1 2 240.310 2.326 20 30 BEEDLO COc1ccc(F)cc1C[NH2+]CC(C)(C)C#N ZINC000258943765 370861333 /nfs/dbraw/zinc/86/13/33/370861333.db2.gz QMGHSAAXSWZJGK-UHFFFAOYSA-N 1 2 236.290 2.474 20 30 BEEDLO CCc1ncc(C[NH2+]CC2(C#N)CC2)s1 ZINC000382239798 367501125 /nfs/dbraw/zinc/50/11/25/367501125.db2.gz AELUUORFZOVKSL-UHFFFAOYSA-N 1 2 221.329 2.099 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ccoc1C(=O)OC ZINC000058918982 368526284 /nfs/dbraw/zinc/52/62/84/368526284.db2.gz METKMCUACZSGSV-UHFFFAOYSA-N 1 2 235.283 2.240 20 30 BEEDLO C#CC[N@@H+](Cc1noc(CC)n1)C1CCCCC1 ZINC000062364453 368576067 /nfs/dbraw/zinc/57/60/67/368576067.db2.gz YCSDUAZQBYZCBG-UHFFFAOYSA-N 1 2 247.342 2.400 20 30 BEEDLO C#CC[N@H+](Cc1noc(CC)n1)C1CCCCC1 ZINC000062364453 368576071 /nfs/dbraw/zinc/57/60/71/368576071.db2.gz YCSDUAZQBYZCBG-UHFFFAOYSA-N 1 2 247.342 2.400 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)CCOc1ccccc1F ZINC000072895233 368783605 /nfs/dbraw/zinc/78/36/05/368783605.db2.gz NTSZTHSUPWXHNY-LLVKDONJSA-N 1 2 236.290 2.296 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)CCOc1ccccc1F ZINC000072895233 368783613 /nfs/dbraw/zinc/78/36/13/368783613.db2.gz NTSZTHSUPWXHNY-LLVKDONJSA-N 1 2 236.290 2.296 20 30 BEEDLO CCOCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405083972 369444899 /nfs/dbraw/zinc/44/48/99/369444899.db2.gz RESVYUGWUPOQCU-UHFFFAOYSA-N 1 2 230.311 2.300 20 30 BEEDLO CCOCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405083972 369444900 /nfs/dbraw/zinc/44/49/00/369444900.db2.gz RESVYUGWUPOQCU-UHFFFAOYSA-N 1 2 230.311 2.300 20 30 BEEDLO CCOC1(C)C[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000459616632 203316552 /nfs/dbraw/zinc/31/65/52/203316552.db2.gz GYJARYQXUCMTSZ-UHFFFAOYSA-N 1 2 244.338 2.478 20 30 BEEDLO C[C@@H]1C[N@H+](CC#N)CCc2ccccc21 ZINC000404726322 369434185 /nfs/dbraw/zinc/43/41/85/369434185.db2.gz YUTVFQZWRSMQRO-LLVKDONJSA-N 1 2 200.285 2.172 20 30 BEEDLO C[C@@H]1C[N@@H+](CC#N)CCc2ccccc21 ZINC000404726322 369434189 /nfs/dbraw/zinc/43/41/89/369434189.db2.gz YUTVFQZWRSMQRO-LLVKDONJSA-N 1 2 200.285 2.172 20 30 BEEDLO N#CCC1(C[NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000619531861 369464538 /nfs/dbraw/zinc/46/45/38/369464538.db2.gz VWQPHIQOGOTSNC-UHFFFAOYSA-N 1 2 240.310 2.346 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1C[C@H]1C1CCCCC1)C(=O)OC ZINC000619702484 369535547 /nfs/dbraw/zinc/53/55/47/369535547.db2.gz NNFFFUAJPUHWRS-RWMBFGLXSA-N 1 2 237.343 2.272 20 30 BEEDLO C=C[C@@H]([NH2+]CC1CCC(F)(F)CC1)C(=O)OC ZINC000619704818 369536835 /nfs/dbraw/zinc/53/68/35/369536835.db2.gz RGQNUGFDBNPDMN-SNVBAGLBSA-N 1 2 247.285 2.129 20 30 BEEDLO C[C@H]([NH2+]Cc1cccc(C#N)n1)c1cscn1 ZINC000602708389 369844321 /nfs/dbraw/zinc/84/43/21/369844321.db2.gz DZBIOXCKUXOGST-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620604609 369952676 /nfs/dbraw/zinc/95/26/76/369952676.db2.gz TZUAERARADZETJ-MNOVXSKESA-N 1 2 235.331 2.200 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620606095 369954496 /nfs/dbraw/zinc/95/44/96/369954496.db2.gz OCYSKWXIQDJTNI-GWCFXTLKSA-N 1 2 235.331 2.200 20 30 BEEDLO CC(C)(Nc1ncccc1C#N)c1[nH]cc[nH+]1 ZINC000603406117 369954726 /nfs/dbraw/zinc/95/47/26/369954726.db2.gz GTQXHXSTASMBTR-UHFFFAOYSA-N 1 2 227.271 2.024 20 30 BEEDLO C=CCCC(C)(C)NC(=O)CCc1c[nH+]cn1C ZINC000620857034 370009917 /nfs/dbraw/zinc/00/99/17/370009917.db2.gz KHMZVYJONZBDRU-UHFFFAOYSA-N 1 2 249.358 2.214 20 30 BEEDLO C=C[C@H]([NH2+]CC(C)(C)C(C)(C)C)C(=O)OC ZINC000309831361 370265952 /nfs/dbraw/zinc/26/59/52/370265952.db2.gz KIHINTDFWWGGTI-JTQLQIEISA-N 1 2 227.348 2.376 20 30 BEEDLO C=C(C)CN(CC)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077188887 370398532 /nfs/dbraw/zinc/39/85/32/370398532.db2.gz WNWGPKGYDLKZDE-UHFFFAOYSA-N 1 2 243.314 2.065 20 30 BEEDLO C=CC[NH2+][C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000070683947 371058306 /nfs/dbraw/zinc/05/83/06/371058306.db2.gz RDDNYCRJAMYXKF-ZDUSSCGKSA-N 1 2 225.332 2.274 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000154140982 371084600 /nfs/dbraw/zinc/08/46/00/371084600.db2.gz HYVLXLKKDLJZIN-UHFFFAOYSA-N 1 2 242.322 2.313 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000154140982 371084606 /nfs/dbraw/zinc/08/46/06/371084606.db2.gz HYVLXLKKDLJZIN-UHFFFAOYSA-N 1 2 242.322 2.313 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC3(CC3)C2)c(F)c1 ZINC000093965845 371190742 /nfs/dbraw/zinc/19/07/42/371190742.db2.gz SHDROPOAZUUWBK-UHFFFAOYSA-N 1 2 216.259 2.293 20 30 BEEDLO Cc1nnc(C[NH2+]Cc2cccc(C#N)c2)s1 ZINC000391952222 371353065 /nfs/dbraw/zinc/35/30/65/371353065.db2.gz UOFKLUDQLMRTKG-UHFFFAOYSA-N 1 2 244.323 2.008 20 30 BEEDLO CCOC(=O)CCC[N@H+](CC#N)C1CCCC1 ZINC000156590281 371456872 /nfs/dbraw/zinc/45/68/72/371456872.db2.gz FYOHDWVUXGGTKQ-UHFFFAOYSA-N 1 2 238.331 2.098 20 30 BEEDLO CCOC(=O)CCC[N@@H+](CC#N)C1CCCC1 ZINC000156590281 371456880 /nfs/dbraw/zinc/45/68/80/371456880.db2.gz FYOHDWVUXGGTKQ-UHFFFAOYSA-N 1 2 238.331 2.098 20 30 BEEDLO C=CCOCCCNc1[nH+]cccc1OC ZINC000624398925 371499325 /nfs/dbraw/zinc/49/93/25/371499325.db2.gz XNHXZKSLBHRSTD-UHFFFAOYSA-N 1 2 222.288 2.095 20 30 BEEDLO Cc1cnc(C[NH2+]Cc2cccc(C#N)c2)o1 ZINC000227083979 371781171 /nfs/dbraw/zinc/78/11/71/371781171.db2.gz MFUCVORLMOGMJH-UHFFFAOYSA-N 1 2 227.267 2.145 20 30 BEEDLO C=C1CC(C)(C(=O)NCc2c[nH+]ccc2OC)C1 ZINC000633190139 373333913 /nfs/dbraw/zinc/33/39/13/373333913.db2.gz CFLAVQQLFOVGTA-UHFFFAOYSA-N 1 2 246.310 2.063 20 30 BEEDLO CCc1cnc(C[NH2+]Cc2ccc(C#N)o2)s1 ZINC000174626454 374250947 /nfs/dbraw/zinc/25/09/47/374250947.db2.gz RNKRGZQHVOAUNL-UHFFFAOYSA-N 1 2 247.323 2.460 20 30 BEEDLO C=CCCCC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000176779918 206006285 /nfs/dbraw/zinc/00/62/85/206006285.db2.gz JURFKNCMYKJECZ-UHFFFAOYSA-N 1 2 247.342 2.467 20 30 BEEDLO CCCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC ZINC000424126111 206033557 /nfs/dbraw/zinc/03/35/57/206033557.db2.gz OPRVMVUUXLFGNA-TUAOUCFPSA-N 1 2 238.331 2.000 20 30 BEEDLO CC#CC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440466185 206079103 /nfs/dbraw/zinc/07/91/03/206079103.db2.gz AANHEXHXLXTIKU-UHFFFAOYSA-N 1 2 217.316 2.055 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440466185 206079108 /nfs/dbraw/zinc/07/91/08/206079108.db2.gz AANHEXHXLXTIKU-UHFFFAOYSA-N 1 2 217.316 2.055 20 30 BEEDLO CC[N@H+](C[Si](C)(C)c1ccccc1)[C@@H](C)C#N ZINC001643953133 1172513485 /nfs/dbraw/zinc/51/34/85/1172513485.db2.gz XNTDOVOWKNCMJY-ZDUSSCGKSA-N 1 2 246.430 2.375 20 30 BEEDLO CC[N@@H+](C[Si](C)(C)c1ccccc1)[C@@H](C)C#N ZINC001643953133 1172513491 /nfs/dbraw/zinc/51/34/91/1172513491.db2.gz XNTDOVOWKNCMJY-ZDUSSCGKSA-N 1 2 246.430 2.375 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(CCCC)no1 ZINC000181296668 134334975 /nfs/dbraw/zinc/33/49/75/134334975.db2.gz BZMFKYGNEOTMFN-UHFFFAOYSA-N 1 2 223.320 2.420 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(CCCC)no1 ZINC000181296668 134334976 /nfs/dbraw/zinc/33/49/76/134334976.db2.gz BZMFKYGNEOTMFN-UHFFFAOYSA-N 1 2 223.320 2.420 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nccn1C(C)C ZINC000181290065 134334981 /nfs/dbraw/zinc/33/49/81/134334981.db2.gz VAYQCMWSHBTOET-UHFFFAOYSA-N 1 2 207.321 2.472 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nccn1C(C)C ZINC000181290065 134334982 /nfs/dbraw/zinc/33/49/82/134334982.db2.gz VAYQCMWSHBTOET-UHFFFAOYSA-N 1 2 207.321 2.472 20 30 BEEDLO C=CC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000184315471 134362550 /nfs/dbraw/zinc/36/25/50/134362550.db2.gz WNCSVFQXOUZSBM-JTQLQIEISA-N 1 2 213.321 2.128 20 30 BEEDLO CC[N@@H+](Cc1cccc(C)n1)C[C@H](C)C#N ZINC000080961074 383842339 /nfs/dbraw/zinc/84/23/39/383842339.db2.gz TVOZDLUGFBPXAM-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1cccc(C)n1)C[C@H](C)C#N ZINC000080961074 383842340 /nfs/dbraw/zinc/84/23/40/383842340.db2.gz TVOZDLUGFBPXAM-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO CC(C)[C@@H](Nc1ncccc1C#N)c1[nH]cc[nH+]1 ZINC000285536064 383896844 /nfs/dbraw/zinc/89/68/44/383896844.db2.gz HQTARXQJNNSNCW-LLVKDONJSA-N 1 2 241.298 2.486 20 30 BEEDLO CC[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(F)F ZINC000449363647 383989999 /nfs/dbraw/zinc/98/99/99/383989999.db2.gz QAZDHIXCGIXWBA-SNVBAGLBSA-N 1 2 227.258 2.030 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000298626380 383972368 /nfs/dbraw/zinc/97/23/68/383972368.db2.gz VKMQUPKUMSKQMD-JTQLQIEISA-N 1 2 211.696 2.299 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000298626380 383972370 /nfs/dbraw/zinc/97/23/70/383972370.db2.gz VKMQUPKUMSKQMD-JTQLQIEISA-N 1 2 211.696 2.299 20 30 BEEDLO C[C@@H]1COCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000335038431 384011305 /nfs/dbraw/zinc/01/13/05/384011305.db2.gz ZXRGSQCYRYGLPG-NSHDSACASA-N 1 2 248.301 2.166 20 30 BEEDLO C[C@@H]1COCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000335038431 384011315 /nfs/dbraw/zinc/01/13/15/384011315.db2.gz ZXRGSQCYRYGLPG-NSHDSACASA-N 1 2 248.301 2.166 20 30 BEEDLO C#CCCCC/[NH+]=C/c1cccc(O)c1O ZINC000268128373 533028119 /nfs/dbraw/zinc/02/81/19/533028119.db2.gz DSUJZVYJVBAKPV-GXDHUFHOSA-N 1 2 217.268 2.320 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc(Cl)n1 ZINC000080805569 384176112 /nfs/dbraw/zinc/17/61/12/384176112.db2.gz AKCPLIQZGNNSBD-UHFFFAOYSA-N 1 2 223.707 2.471 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc(Cl)n1 ZINC000080805569 384176115 /nfs/dbraw/zinc/17/61/15/384176115.db2.gz AKCPLIQZGNNSBD-UHFFFAOYSA-N 1 2 223.707 2.471 20 30 BEEDLO CCc1nn(C)c(CC)c1C[N@H+](C)[C@@H](C)CC#N ZINC000093091209 384210109 /nfs/dbraw/zinc/21/01/09/384210109.db2.gz DOIUIRASCSXFDS-NSHDSACASA-N 1 2 248.374 2.279 20 30 BEEDLO CCc1nn(C)c(CC)c1C[N@@H+](C)[C@@H](C)CC#N ZINC000093091209 384210114 /nfs/dbraw/zinc/21/01/14/384210114.db2.gz DOIUIRASCSXFDS-NSHDSACASA-N 1 2 248.374 2.279 20 30 BEEDLO N#CCC[N@@H+](Cc1cncs1)CC1CC1 ZINC000093091294 384212606 /nfs/dbraw/zinc/21/26/06/384212606.db2.gz SREMBUIPSJHKRX-UHFFFAOYSA-N 1 2 221.329 2.269 20 30 BEEDLO N#CCC[N@H+](Cc1cncs1)CC1CC1 ZINC000093091294 384212611 /nfs/dbraw/zinc/21/26/11/384212611.db2.gz SREMBUIPSJHKRX-UHFFFAOYSA-N 1 2 221.329 2.269 20 30 BEEDLO Cc1ccc(C[N@H+](C)C[C@H](C#N)CCC#N)o1 ZINC000072589644 384227430 /nfs/dbraw/zinc/22/74/30/384227430.db2.gz GIPVNPLZNBDQFB-LBPRGKRZSA-N 1 2 231.299 2.463 20 30 BEEDLO Cc1ccc(C[N@@H+](C)C[C@H](C#N)CCC#N)o1 ZINC000072589644 384227438 /nfs/dbraw/zinc/22/74/38/384227438.db2.gz GIPVNPLZNBDQFB-LBPRGKRZSA-N 1 2 231.299 2.463 20 30 BEEDLO Cc1ncsc1C[N@@H+](C)C[C@@H](C)C#N ZINC000082633048 384253373 /nfs/dbraw/zinc/25/33/73/384253373.db2.gz QJZOXWZVIVMKOY-QMMMGPOBSA-N 1 2 209.318 2.043 20 30 BEEDLO Cc1ncsc1C[N@H+](C)C[C@@H](C)C#N ZINC000082633048 384253376 /nfs/dbraw/zinc/25/33/76/384253376.db2.gz QJZOXWZVIVMKOY-QMMMGPOBSA-N 1 2 209.318 2.043 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC000126547122 384267121 /nfs/dbraw/zinc/26/71/21/384267121.db2.gz QUGXMUVHHJILMI-VHSXEESVSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC000126547122 384267124 /nfs/dbraw/zinc/26/71/24/384267124.db2.gz QUGXMUVHHJILMI-VHSXEESVSA-N 1 2 236.340 2.229 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000335265854 384269862 /nfs/dbraw/zinc/26/98/62/384269862.db2.gz QNQUKTHHCORLEX-HNNXBMFYSA-N 1 2 242.322 2.169 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000335265854 384269868 /nfs/dbraw/zinc/26/98/68/384269868.db2.gz QNQUKTHHCORLEX-HNNXBMFYSA-N 1 2 242.322 2.169 20 30 BEEDLO CS[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000335513619 384296331 /nfs/dbraw/zinc/29/63/31/384296331.db2.gz TVIVLECLBBTVGT-LLVKDONJSA-N 1 2 233.340 2.203 20 30 BEEDLO COCC[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000229957810 384339280 /nfs/dbraw/zinc/33/92/80/384339280.db2.gz KVUGIZIKORUDDY-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO COCC[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000229957810 384339284 /nfs/dbraw/zinc/33/92/84/384339284.db2.gz KVUGIZIKORUDDY-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1ccccc1 ZINC000046437790 384426363 /nfs/dbraw/zinc/42/63/63/384426363.db2.gz GXOIBSPLQHBAKQ-UHFFFAOYSA-N 1 2 218.300 2.049 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1ccccc1 ZINC000046437790 384426368 /nfs/dbraw/zinc/42/63/68/384426368.db2.gz GXOIBSPLQHBAKQ-UHFFFAOYSA-N 1 2 218.300 2.049 20 30 BEEDLO Cc1c[nH+]ccc1NC(=O)NCCCCC#N ZINC000179845741 384383757 /nfs/dbraw/zinc/38/37/57/384383757.db2.gz WEPKYNYFPLUBPR-UHFFFAOYSA-N 1 2 232.287 2.205 20 30 BEEDLO CC1(O)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000126783528 384462205 /nfs/dbraw/zinc/46/22/05/384462205.db2.gz MTFCQBZRKMCKRF-UHFFFAOYSA-N 1 2 248.301 2.044 20 30 BEEDLO C=C(C)CC[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000160209206 384660549 /nfs/dbraw/zinc/66/05/49/384660549.db2.gz GSBFKGUCIVDZSR-ZDUSSCGKSA-N 1 2 233.311 2.457 20 30 BEEDLO C=C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000362617225 384740142 /nfs/dbraw/zinc/74/01/42/384740142.db2.gz ZVRLVAYJFVCHEM-LLVKDONJSA-N 1 2 241.294 2.177 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1nc(C)cs1 ZINC000038091449 384793392 /nfs/dbraw/zinc/79/33/92/384793392.db2.gz MQHIOSYBTPQJNM-SECBINFHSA-N 1 2 209.318 2.233 20 30 BEEDLO Cc1cc(NC(=O)C2(C#N)CCC2)cc[nH+]1 ZINC000083798382 384797728 /nfs/dbraw/zinc/79/77/28/384797728.db2.gz JKIBBTIBKMXCHF-UHFFFAOYSA-N 1 2 215.256 2.022 20 30 BEEDLO C=CCOCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000354294763 384809158 /nfs/dbraw/zinc/80/91/58/384809158.db2.gz DGKAHTLNZUQXML-UHFFFAOYSA-N 1 2 245.282 2.012 20 30 BEEDLO CC[NH+](CC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000083146517 384844598 /nfs/dbraw/zinc/84/45/98/384844598.db2.gz BKSZJDACCZRXJK-ZDUSSCGKSA-N 1 2 246.310 2.114 20 30 BEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000192218631 384915637 /nfs/dbraw/zinc/91/56/37/384915637.db2.gz RVDJKVALDDYGKH-LBPRGKRZSA-N 1 2 244.338 2.141 20 30 BEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000192218631 384915642 /nfs/dbraw/zinc/91/56/42/384915642.db2.gz RVDJKVALDDYGKH-LBPRGKRZSA-N 1 2 244.338 2.141 20 30 BEEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(CC)no1 ZINC000297783196 384917623 /nfs/dbraw/zinc/91/76/23/384917623.db2.gz GTWDSMYIZNYVET-SNVBAGLBSA-N 1 2 221.304 2.367 20 30 BEEDLO CCCOC(=O)CC/[NH+]=C/c1ccccc1O ZINC000106586463 384923048 /nfs/dbraw/zinc/92/30/48/384923048.db2.gz YFRRCAWUWLRUAI-GXDHUFHOSA-N 1 2 235.283 2.154 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccccc1NC(C)=O ZINC000127669778 384930502 /nfs/dbraw/zinc/93/05/02/384930502.db2.gz PJRBNHSJRWLEEH-UHFFFAOYSA-N 1 2 245.326 2.381 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccccc1NC(C)=O ZINC000127669778 384930512 /nfs/dbraw/zinc/93/05/12/384930512.db2.gz PJRBNHSJRWLEEH-UHFFFAOYSA-N 1 2 245.326 2.381 20 30 BEEDLO CCc1ccc(C[N@H+](C)C[C@@H](C)C#N)nc1 ZINC000338955589 384962479 /nfs/dbraw/zinc/96/24/79/384962479.db2.gz CGVREEQSJKANQG-NSHDSACASA-N 1 2 217.316 2.235 20 30 BEEDLO CCc1ccc(C[N@@H+](C)C[C@@H](C)C#N)nc1 ZINC000338955589 384962483 /nfs/dbraw/zinc/96/24/83/384962483.db2.gz CGVREEQSJKANQG-NSHDSACASA-N 1 2 217.316 2.235 20 30 BEEDLO CC#CCNc1nc(C)[nH+]c2c1CCCC2 ZINC000302081106 384962984 /nfs/dbraw/zinc/96/29/84/384962984.db2.gz JAGNTIUXPKVTIW-UHFFFAOYSA-N 1 2 215.300 2.099 20 30 BEEDLO C=CC[N@H+](CCc1ccccc1)[C@H]1CCOC1=O ZINC000298094779 385117991 /nfs/dbraw/zinc/11/79/91/385117991.db2.gz KZONKJFCLMOENL-AWEZNQCLSA-N 1 2 245.322 2.033 20 30 BEEDLO C=CC[N@@H+](CCc1ccccc1)[C@H]1CCOC1=O ZINC000298094779 385117999 /nfs/dbraw/zinc/11/79/99/385117999.db2.gz KZONKJFCLMOENL-AWEZNQCLSA-N 1 2 245.322 2.033 20 30 BEEDLO CCC[N@H+](CC#N)CC1(COC)CCC1 ZINC000308813208 385180565 /nfs/dbraw/zinc/18/05/65/385180565.db2.gz AGOMKIVQTAFZHQ-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO CCC[N@@H+](CC#N)CC1(COC)CCC1 ZINC000308813208 385180570 /nfs/dbraw/zinc/18/05/70/385180570.db2.gz AGOMKIVQTAFZHQ-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(Cl)nc1Cl ZINC000282438413 533110143 /nfs/dbraw/zinc/11/01/43/533110143.db2.gz HWNPDTPIIYTTDB-UHFFFAOYSA-N 1 2 229.110 2.453 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(Cl)nc1Cl ZINC000282438413 533110147 /nfs/dbraw/zinc/11/01/47/533110147.db2.gz HWNPDTPIIYTTDB-UHFFFAOYSA-N 1 2 229.110 2.453 20 30 BEEDLO CC[C@H](C)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000153336611 385251652 /nfs/dbraw/zinc/25/16/52/385251652.db2.gz OPMUAHCQVLDLCC-QMMMGPOBSA-N 1 2 241.360 2.329 20 30 BEEDLO CC[C@@H](C)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000153336517 385251711 /nfs/dbraw/zinc/25/17/11/385251711.db2.gz OPMUAHCQVLDLCC-MRVPVSSYSA-N 1 2 241.360 2.329 20 30 BEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000491255026 385253059 /nfs/dbraw/zinc/25/30/59/385253059.db2.gz VBCRHHYJRQIRFZ-LBPRGKRZSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000491255026 385253064 /nfs/dbraw/zinc/25/30/64/385253064.db2.gz VBCRHHYJRQIRFZ-LBPRGKRZSA-N 1 2 244.338 2.195 20 30 BEEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CCC#N)o1 ZINC000131413831 385332185 /nfs/dbraw/zinc/33/21/85/385332185.db2.gz JFLQYIMLAWGECQ-LBPRGKRZSA-N 1 2 234.299 2.477 20 30 BEEDLO COCc1ccc([C@@H]2CCC[N@H+]2CCC#N)o1 ZINC000131413831 385332192 /nfs/dbraw/zinc/33/21/92/385332192.db2.gz JFLQYIMLAWGECQ-LBPRGKRZSA-N 1 2 234.299 2.477 20 30 BEEDLO CC#CCCNc1cc[nH+]c(C2CC2)n1 ZINC000309077556 385398383 /nfs/dbraw/zinc/39/83/83/385398383.db2.gz MJAHKIBTXJOYQN-UHFFFAOYSA-N 1 2 201.273 2.179 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccccn1 ZINC000309069919 385402585 /nfs/dbraw/zinc/40/25/85/385402585.db2.gz AYWXJSLSXQSBDA-SNVBAGLBSA-N 1 2 201.273 2.036 20 30 BEEDLO C=CCC(C)(C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000644803145 385416504 /nfs/dbraw/zinc/41/65/04/385416504.db2.gz DHSXFVIYIHTSLH-UHFFFAOYSA-N 1 2 247.342 2.136 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000491678178 385465884 /nfs/dbraw/zinc/46/58/84/385465884.db2.gz SLCZDOWVMRFYLP-JTQLQIEISA-N 1 2 249.285 2.066 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000491678178 385465886 /nfs/dbraw/zinc/46/58/86/385465886.db2.gz SLCZDOWVMRFYLP-JTQLQIEISA-N 1 2 249.285 2.066 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc2ccoc21 ZINC000491374694 385507534 /nfs/dbraw/zinc/50/75/34/385507534.db2.gz SEGGAVJGTGHGOG-CQSZACIVSA-N 1 2 241.290 2.267 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc2ccoc21 ZINC000491374694 385507538 /nfs/dbraw/zinc/50/75/38/385507538.db2.gz SEGGAVJGTGHGOG-CQSZACIVSA-N 1 2 241.290 2.267 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc(C)sc1C ZINC000491711300 385624163 /nfs/dbraw/zinc/62/41/63/385624163.db2.gz UGIUHCSKENJOCH-CYBMUJFWSA-N 1 2 235.352 2.199 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc(C)sc1C ZINC000491711300 385624169 /nfs/dbraw/zinc/62/41/69/385624169.db2.gz UGIUHCSKENJOCH-CYBMUJFWSA-N 1 2 235.352 2.199 20 30 BEEDLO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)no1 ZINC000595612395 385634420 /nfs/dbraw/zinc/63/44/20/385634420.db2.gz WDVRYTXHYWOJIZ-LLVKDONJSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)no1 ZINC000595612395 385634425 /nfs/dbraw/zinc/63/44/25/385634425.db2.gz WDVRYTXHYWOJIZ-LLVKDONJSA-N 1 2 219.288 2.109 20 30 BEEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1c(F)cccc1F ZINC000645225321 385691345 /nfs/dbraw/zinc/69/13/45/385691345.db2.gz MGNODPLSUSLURZ-CYBMUJFWSA-N 1 2 241.281 2.334 20 30 BEEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1c(F)cccc1F ZINC000645225321 385691351 /nfs/dbraw/zinc/69/13/51/385691351.db2.gz MGNODPLSUSLURZ-CYBMUJFWSA-N 1 2 241.281 2.334 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000491740346 385754288 /nfs/dbraw/zinc/75/42/88/385754288.db2.gz YFFJYBCVZUCEIB-LBPRGKRZSA-N 1 2 231.343 2.452 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000491740346 385754292 /nfs/dbraw/zinc/75/42/92/385754292.db2.gz YFFJYBCVZUCEIB-LBPRGKRZSA-N 1 2 231.343 2.452 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc(OC)ccc1OC ZINC000123325675 385879375 /nfs/dbraw/zinc/87/93/75/385879375.db2.gz PZJKFLVHJIMCBY-UHFFFAOYSA-N 1 2 248.326 2.439 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc(OC)ccc1OC ZINC000123325675 385879379 /nfs/dbraw/zinc/87/93/79/385879379.db2.gz PZJKFLVHJIMCBY-UHFFFAOYSA-N 1 2 248.326 2.439 20 30 BEEDLO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cn2)o1 ZINC000182685879 385882329 /nfs/dbraw/zinc/88/23/29/385882329.db2.gz OWCNSGKHMAFBKC-UHFFFAOYSA-N 1 2 247.685 2.489 20 30 BEEDLO C#CC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000041634908 533156414 /nfs/dbraw/zinc/15/64/14/533156414.db2.gz OAGGPWIESYMWEK-UHFFFAOYSA-N 1 2 234.730 2.095 20 30 BEEDLO CC(C)[N@H+](Cc1ccccc1C#N)C1COC1 ZINC000296042330 386126448 /nfs/dbraw/zinc/12/64/48/386126448.db2.gz ODBNZCZWJPNYAJ-UHFFFAOYSA-N 1 2 230.311 2.167 20 30 BEEDLO CC(C)[N@@H+](Cc1ccccc1C#N)C1COC1 ZINC000296042330 386126452 /nfs/dbraw/zinc/12/64/52/386126452.db2.gz ODBNZCZWJPNYAJ-UHFFFAOYSA-N 1 2 230.311 2.167 20 30 BEEDLO CO[C@H](C[N@@H+]1CCCC(C)(C)[C@@H]1C#N)C1CC1 ZINC000425467315 386136112 /nfs/dbraw/zinc/13/61/12/386136112.db2.gz BPOPXNOPFUCYHF-OLZOCXBDSA-N 1 2 236.359 2.426 20 30 BEEDLO CO[C@H](C[N@H+]1CCCC(C)(C)[C@@H]1C#N)C1CC1 ZINC000425467315 386136113 /nfs/dbraw/zinc/13/61/13/386136113.db2.gz BPOPXNOPFUCYHF-OLZOCXBDSA-N 1 2 236.359 2.426 20 30 BEEDLO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(COC)no1 ZINC000181529642 386359189 /nfs/dbraw/zinc/35/91/89/386359189.db2.gz MLTRDXKCIOHDDB-JTQLQIEISA-N 1 2 239.319 2.175 20 30 BEEDLO C=C(C)C[N@H+](CC)[C@@H](C)c1nc(COC)no1 ZINC000181529642 386359193 /nfs/dbraw/zinc/35/91/93/386359193.db2.gz MLTRDXKCIOHDDB-JTQLQIEISA-N 1 2 239.319 2.175 20 30 BEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000192227606 386488070 /nfs/dbraw/zinc/48/80/70/386488070.db2.gz ITJCIRVXBJNNAP-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000192227606 386488076 /nfs/dbraw/zinc/48/80/76/386488076.db2.gz ITJCIRVXBJNNAP-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cncn1CC ZINC000417751654 386654291 /nfs/dbraw/zinc/65/42/91/386654291.db2.gz ZFWXWEIFLCKYSC-UHFFFAOYSA-N 1 2 205.305 2.077 20 30 BEEDLO C=CCN(CC=C)Cc1c[nH+]cn1CC ZINC000417751654 386654302 /nfs/dbraw/zinc/65/43/02/386654302.db2.gz ZFWXWEIFLCKYSC-UHFFFAOYSA-N 1 2 205.305 2.077 20 30 BEEDLO Cc1[nH]c(C(=O)NC[C@@H](C)C(C)C)c[nH+]1 ZINC000330465081 386722408 /nfs/dbraw/zinc/72/24/08/386722408.db2.gz VNENJMRPTFGFKH-MRVPVSSYSA-N 1 2 209.293 2.315 20 30 BEEDLO C[N@H+](Cc1nccs1)[C@@H]1CC[C@H](C#N)C1 ZINC000292916357 386749632 /nfs/dbraw/zinc/74/96/32/386749632.db2.gz XPANSIBIAUGXQB-VHSXEESVSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC[C@H](C#N)C1 ZINC000292916357 386749636 /nfs/dbraw/zinc/74/96/36/386749636.db2.gz XPANSIBIAUGXQB-VHSXEESVSA-N 1 2 221.329 2.267 20 30 BEEDLO CC(C)(C#N)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334844045 386890982 /nfs/dbraw/zinc/89/09/82/386890982.db2.gz FGCYTANVMFTGHO-UHFFFAOYSA-N 1 2 246.314 2.098 20 30 BEEDLO C=C[C@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000334857893 386910279 /nfs/dbraw/zinc/91/02/79/386910279.db2.gz KDOVRPGACXVWLD-VIFPVBQESA-N 1 2 244.298 2.339 20 30 BEEDLO C=C[C@@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000334857891 386911122 /nfs/dbraw/zinc/91/11/22/386911122.db2.gz KDOVRPGACXVWLD-SECBINFHSA-N 1 2 244.298 2.339 20 30 BEEDLO C=C(C)C[N@@H+](CC)CC(=O)OCCCC ZINC000052890398 386960320 /nfs/dbraw/zinc/96/03/20/386960320.db2.gz UFUSKGUYSXXZLI-UHFFFAOYSA-N 1 2 213.321 2.228 20 30 BEEDLO C=C(C)C[N@H+](CC)CC(=O)OCCCC ZINC000052890398 386960325 /nfs/dbraw/zinc/96/03/25/386960325.db2.gz UFUSKGUYSXXZLI-UHFFFAOYSA-N 1 2 213.321 2.228 20 30 BEEDLO CCSCCCNc1cc(C)[nH+]cc1C#N ZINC000399554524 387002112 /nfs/dbraw/zinc/00/21/12/387002112.db2.gz CRLVHHQJIMNEJV-UHFFFAOYSA-N 1 2 235.356 2.239 20 30 BEEDLO CSCCN(C)c1cc(C)[nH+]cc1C#N ZINC000399414544 387059324 /nfs/dbraw/zinc/05/93/24/387059324.db2.gz CCXLTCRRWYDRRV-UHFFFAOYSA-N 1 2 221.329 2.061 20 30 BEEDLO Cc1cc(NC[C@]2(C)CCCS2)c(C#N)c[nH+]1 ZINC000399581196 387026440 /nfs/dbraw/zinc/02/64/40/387026440.db2.gz LRCVLXSSVJUDTG-ZDUSSCGKSA-N 1 2 247.367 2.381 20 30 BEEDLO CC[C@@H](C)[C@@H](CNc1cc(C)[nH+]cc1C#N)OC ZINC000399466131 387123968 /nfs/dbraw/zinc/12/39/68/387123968.db2.gz RSFHFRRZUXTCIY-QMTHXVAHSA-N 1 2 247.342 2.157 20 30 BEEDLO N#CC1(C[NH2+]Cc2cncc(F)c2)CCC1 ZINC000418145365 387168090 /nfs/dbraw/zinc/16/80/90/387168090.db2.gz XQORBIFKICIKDI-UHFFFAOYSA-N 1 2 219.263 2.004 20 30 BEEDLO C#CCC[N@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000269849510 387423686 /nfs/dbraw/zinc/42/36/86/387423686.db2.gz GMVXKCIDPNIMNR-CYBMUJFWSA-N 1 2 233.311 2.239 20 30 BEEDLO C#CCC[N@@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000269849510 387423690 /nfs/dbraw/zinc/42/36/90/387423690.db2.gz GMVXKCIDPNIMNR-CYBMUJFWSA-N 1 2 233.311 2.239 20 30 BEEDLO C=C1CC[NH+](CC(=O)N(C)c2ccccc2)CC1 ZINC000264445855 387387173 /nfs/dbraw/zinc/38/71/73/387387173.db2.gz GYSXNCKKIIFNAA-UHFFFAOYSA-N 1 2 244.338 2.301 20 30 BEEDLO Cn1cc[nH+]c1CNc1ccc(F)c(C#N)c1 ZINC000051636779 387389105 /nfs/dbraw/zinc/38/91/05/387389105.db2.gz QCAPEPOELWDHJZ-UHFFFAOYSA-N 1 2 230.246 2.043 20 30 BEEDLO C=C(Cl)C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000264023260 387389447 /nfs/dbraw/zinc/38/94/47/387389447.db2.gz MWTXPJDZVSRTSF-GFCCVEGCSA-N 1 2 225.719 2.404 20 30 BEEDLO C=C(Cl)C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000264023260 387389452 /nfs/dbraw/zinc/38/94/52/387389452.db2.gz MWTXPJDZVSRTSF-GFCCVEGCSA-N 1 2 225.719 2.404 20 30 BEEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccn1 ZINC000352842613 387515053 /nfs/dbraw/zinc/51/50/53/387515053.db2.gz WISFEIDLNBPDJS-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO C#CC[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000277090520 387527682 /nfs/dbraw/zinc/52/76/82/387527682.db2.gz YYOTWVGXXOFYNT-UHFFFAOYSA-N 1 2 206.289 2.037 20 30 BEEDLO C#CC[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000277090520 387527688 /nfs/dbraw/zinc/52/76/88/387527688.db2.gz YYOTWVGXXOFYNT-UHFFFAOYSA-N 1 2 206.289 2.037 20 30 BEEDLO CC[C@@H](C[N@H+](CC#N)C1CCCC1)OC ZINC000397107079 387541285 /nfs/dbraw/zinc/54/12/85/387541285.db2.gz OYRBVGWRVUAIOB-LBPRGKRZSA-N 1 2 210.321 2.180 20 30 BEEDLO CC[C@@H](C[N@@H+](CC#N)C1CCCC1)OC ZINC000397107079 387541289 /nfs/dbraw/zinc/54/12/89/387541289.db2.gz OYRBVGWRVUAIOB-LBPRGKRZSA-N 1 2 210.321 2.180 20 30 BEEDLO CSCCCCNc1cc(C)[nH+]cc1C#N ZINC000399645723 387560014 /nfs/dbraw/zinc/56/00/14/387560014.db2.gz LIDRZCSPYVJKTI-UHFFFAOYSA-N 1 2 235.356 2.239 20 30 BEEDLO CCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OCC ZINC000424119156 387570026 /nfs/dbraw/zinc/57/00/26/387570026.db2.gz FFQGVKBCKVCFRU-QJPTWQEYSA-N 1 2 238.331 2.000 20 30 BEEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)s1 ZINC000353180106 387740992 /nfs/dbraw/zinc/74/09/92/387740992.db2.gz LDRRLOUMKPQXNU-SSDOTTSWSA-N 1 2 248.311 2.162 20 30 BEEDLO N#CC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000309492885 387808161 /nfs/dbraw/zinc/80/81/61/387808161.db2.gz JFHPMSARHSHLQP-UHFFFAOYSA-N 1 2 237.284 2.050 20 30 BEEDLO C=CCOCCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000173361227 387892762 /nfs/dbraw/zinc/89/27/62/387892762.db2.gz GOVCOXYHSLUROR-UHFFFAOYSA-N 1 2 234.299 2.311 20 30 BEEDLO CC#CC[NH2+]C1(c2noc(CC)n2)CCCC1 ZINC000173690234 387899751 /nfs/dbraw/zinc/89/97/51/387899751.db2.gz IXLOQPXTIBKBRC-UHFFFAOYSA-N 1 2 233.315 2.014 20 30 BEEDLO COc1ccccc1OCC[N@H+](C)[C@@H](C)CC#N ZINC000064932192 387900253 /nfs/dbraw/zinc/90/02/53/387900253.db2.gz GSOPWOPSVRKUSD-LBPRGKRZSA-N 1 2 248.326 2.308 20 30 BEEDLO COc1ccccc1OCC[N@@H+](C)[C@@H](C)CC#N ZINC000064932192 387900256 /nfs/dbraw/zinc/90/02/56/387900256.db2.gz GSOPWOPSVRKUSD-LBPRGKRZSA-N 1 2 248.326 2.308 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC000444678184 387905926 /nfs/dbraw/zinc/90/59/26/387905926.db2.gz YFTQOFPXTZDWMY-UHFFFAOYSA-N 1 2 242.326 2.275 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nncn1-c1ccccc1 ZINC000444678184 387905929 /nfs/dbraw/zinc/90/59/29/387905929.db2.gz YFTQOFPXTZDWMY-UHFFFAOYSA-N 1 2 242.326 2.275 20 30 BEEDLO Cc1noc(C)c1CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166889 387947682 /nfs/dbraw/zinc/94/76/82/387947682.db2.gz SUSXCOBJEYRJBY-AWEZNQCLSA-N 1 2 247.342 2.460 20 30 BEEDLO Cc1noc(C)c1CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166889 387947689 /nfs/dbraw/zinc/94/76/89/387947689.db2.gz SUSXCOBJEYRJBY-AWEZNQCLSA-N 1 2 247.342 2.460 20 30 BEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(C)o2)nn1 ZINC000424297599 387959485 /nfs/dbraw/zinc/95/94/85/387959485.db2.gz QYEOIEWSQQBCLY-LLVKDONJSA-N 1 2 246.314 2.216 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(C2CC2)nn1C ZINC000645893941 388031270 /nfs/dbraw/zinc/03/12/70/388031270.db2.gz NYYGFJJMTBWGIC-LBPRGKRZSA-N 1 2 246.358 2.233 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000645893941 388031271 /nfs/dbraw/zinc/03/12/71/388031271.db2.gz NYYGFJJMTBWGIC-LBPRGKRZSA-N 1 2 246.358 2.233 20 30 BEEDLO CC(C)(C)[C@H]1C[N@H+](C[C@H](C#N)CCC#N)CCO1 ZINC000447833965 388096337 /nfs/dbraw/zinc/09/63/37/388096337.db2.gz VFMKWEVVIPSCFR-QWHCGFSZSA-N 1 2 249.358 2.177 20 30 BEEDLO CC(C)(C)[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCO1 ZINC000447833965 388096340 /nfs/dbraw/zinc/09/63/40/388096340.db2.gz VFMKWEVVIPSCFR-QWHCGFSZSA-N 1 2 249.358 2.177 20 30 BEEDLO C=C(CC)CNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455480778 388161434 /nfs/dbraw/zinc/16/14/34/388161434.db2.gz ONFJIWYFTMQYEF-QWRGUYRKSA-N 1 2 248.330 2.154 20 30 BEEDLO C=CCn1cccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000488580164 388188793 /nfs/dbraw/zinc/18/87/93/388188793.db2.gz QVCGTLVUUQRICT-UHFFFAOYSA-N 1 2 241.294 2.052 20 30 BEEDLO C=CCCCC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456419983 388200237 /nfs/dbraw/zinc/20/02/37/388200237.db2.gz MEZHABZOQBWICP-GHMZBOCLSA-N 1 2 233.315 2.361 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(CC)cc(=O)[nH]1 ZINC000489428890 388212337 /nfs/dbraw/zinc/21/23/37/388212337.db2.gz FOLBDWVMOKPCHP-LBPRGKRZSA-N 1 2 247.342 2.285 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncnn1CC(C)C ZINC000489437859 388213288 /nfs/dbraw/zinc/21/32/88/388213288.db2.gz WUQBBAQGYVEIPQ-CYBMUJFWSA-N 1 2 248.374 2.475 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncnn1CC(C)C ZINC000489437859 388213291 /nfs/dbraw/zinc/21/32/91/388213291.db2.gz WUQBBAQGYVEIPQ-CYBMUJFWSA-N 1 2 248.374 2.475 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccsc1 ZINC000490915562 388259506 /nfs/dbraw/zinc/25/95/06/388259506.db2.gz NZQKQVZUYLYVAB-UHFFFAOYSA-N 1 2 203.310 2.207 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccsc1 ZINC000490915562 388259507 /nfs/dbraw/zinc/25/95/07/388259507.db2.gz NZQKQVZUYLYVAB-UHFFFAOYSA-N 1 2 203.310 2.207 20 30 BEEDLO C#CC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000490635125 388244038 /nfs/dbraw/zinc/24/40/38/388244038.db2.gz CXEBQVGRMJOYKR-UHFFFAOYSA-N 1 2 225.295 2.045 20 30 BEEDLO C#CC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000490635125 388244040 /nfs/dbraw/zinc/24/40/40/388244040.db2.gz CXEBQVGRMJOYKR-UHFFFAOYSA-N 1 2 225.295 2.045 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000491287358 388282686 /nfs/dbraw/zinc/28/26/86/388282686.db2.gz LYDDORJNUDHJLG-LLVKDONJSA-N 1 2 248.301 2.026 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000491287358 388282690 /nfs/dbraw/zinc/28/26/90/388282690.db2.gz LYDDORJNUDHJLG-LLVKDONJSA-N 1 2 248.301 2.026 20 30 BEEDLO C#CC[N@H+](Cc1nc2ccccc2o1)C1CC1 ZINC000491295434 388283344 /nfs/dbraw/zinc/28/33/44/388283344.db2.gz HNCMRUNHSKXJGI-UHFFFAOYSA-N 1 2 226.279 2.425 20 30 BEEDLO C#CC[N@@H+](Cc1nc2ccccc2o1)C1CC1 ZINC000491295434 388283346 /nfs/dbraw/zinc/28/33/46/388283346.db2.gz HNCMRUNHSKXJGI-UHFFFAOYSA-N 1 2 226.279 2.425 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cccc(C(C)=O)c1 ZINC000491326603 388285401 /nfs/dbraw/zinc/28/54/01/388285401.db2.gz OMCHHMWCSSVDGP-UHFFFAOYSA-N 1 2 239.318 2.348 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cccc(C(C)=O)c1 ZINC000491326603 388285402 /nfs/dbraw/zinc/28/54/02/388285402.db2.gz OMCHHMWCSSVDGP-UHFFFAOYSA-N 1 2 239.318 2.348 20 30 BEEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(CC)c1 ZINC000491427433 388294031 /nfs/dbraw/zinc/29/40/31/388294031.db2.gz KSKMLCUFFFEWDX-UHFFFAOYSA-N 1 2 244.338 2.143 20 30 BEEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(CC)c1 ZINC000491427433 388294033 /nfs/dbraw/zinc/29/40/33/388294033.db2.gz KSKMLCUFFFEWDX-UHFFFAOYSA-N 1 2 244.338 2.143 20 30 BEEDLO C#CC[N@@H+](C)Cc1c(Cl)cccc1OC ZINC000491507280 388299785 /nfs/dbraw/zinc/29/97/85/388299785.db2.gz UNMXLPMSQZMBKH-UHFFFAOYSA-N 1 2 223.703 2.414 20 30 BEEDLO C#CC[N@H+](C)Cc1c(Cl)cccc1OC ZINC000491507280 388299787 /nfs/dbraw/zinc/29/97/87/388299787.db2.gz UNMXLPMSQZMBKH-UHFFFAOYSA-N 1 2 223.703 2.414 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000491619455 388305157 /nfs/dbraw/zinc/30/51/57/388305157.db2.gz FFCICQRYPVKWFL-VIFPVBQESA-N 1 2 236.246 2.187 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000491619455 388305158 /nfs/dbraw/zinc/30/51/58/388305158.db2.gz FFCICQRYPVKWFL-VIFPVBQESA-N 1 2 236.246 2.187 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000491635396 388307045 /nfs/dbraw/zinc/30/70/45/388307045.db2.gz UWXZTMLQTSJKPP-AWEZNQCLSA-N 1 2 246.354 2.185 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000491635396 388307046 /nfs/dbraw/zinc/30/70/46/388307046.db2.gz UWXZTMLQTSJKPP-AWEZNQCLSA-N 1 2 246.354 2.185 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(C)c2ccccc2n1 ZINC000491659048 388308730 /nfs/dbraw/zinc/30/87/30/388308730.db2.gz MGRNPJVUDRLLCB-LLVKDONJSA-N 1 2 239.322 2.392 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(C)c2ccccc2n1 ZINC000491659048 388308731 /nfs/dbraw/zinc/30/87/31/388308731.db2.gz MGRNPJVUDRLLCB-LLVKDONJSA-N 1 2 239.322 2.392 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000491711507 388313956 /nfs/dbraw/zinc/31/39/56/388313956.db2.gz VIKJSJPCCSYXMH-SECBINFHSA-N 1 2 247.323 2.252 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000491711507 388313957 /nfs/dbraw/zinc/31/39/57/388313957.db2.gz VIKJSJPCCSYXMH-SECBINFHSA-N 1 2 247.323 2.252 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(C)nc(Cl)c1 ZINC000491748932 388317445 /nfs/dbraw/zinc/31/74/45/388317445.db2.gz OXXWQENUIZGMQG-UHFFFAOYSA-N 1 2 232.714 2.112 20 30 BEEDLO C#C[C@H](C)N(C)c1[nH+]c2ccccc2n1C ZINC000491770629 388319040 /nfs/dbraw/zinc/31/90/40/388319040.db2.gz PBRKHKZNIUAZHD-JTQLQIEISA-N 1 2 213.284 2.031 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000491127777 388271764 /nfs/dbraw/zinc/27/17/64/388271764.db2.gz XSKJKLLTFYJCKB-UHFFFAOYSA-N 1 2 245.282 2.173 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000491127777 388271767 /nfs/dbraw/zinc/27/17/67/388271767.db2.gz XSKJKLLTFYJCKB-UHFFFAOYSA-N 1 2 245.282 2.173 20 30 BEEDLO C#CCN(c1cc(C)[nH+]cn1)C1CCCC1 ZINC000491145772 388272571 /nfs/dbraw/zinc/27/25/71/388272571.db2.gz MBDHCFAIGNEFBT-UHFFFAOYSA-N 1 2 215.300 2.167 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000491203481 388277077 /nfs/dbraw/zinc/27/70/77/388277077.db2.gz WOXLGHCNUNSCDI-UHFFFAOYSA-N 1 2 248.282 2.144 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000491203481 388277078 /nfs/dbraw/zinc/27/70/78/388277078.db2.gz WOXLGHCNUNSCDI-UHFFFAOYSA-N 1 2 248.282 2.144 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(F)cc1 ZINC000491231603 388278695 /nfs/dbraw/zinc/27/86/95/388278695.db2.gz USKOXAUDQSGCCK-CQSZACIVSA-N 1 2 243.285 2.023 20 30 BEEDLO C=CCN(C(=O)/C=C\c1[nH+]ccn1CC)C1CC1 ZINC000492342361 388342078 /nfs/dbraw/zinc/34/20/78/388342078.db2.gz KQQGQLGLWGZVMF-FPLPWBNLSA-N 1 2 245.326 2.093 20 30 BEEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000271032092 388369731 /nfs/dbraw/zinc/36/97/31/388369731.db2.gz ZMGMWADJUNMRGP-MNOVXSKESA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#N)o1 ZINC000271032092 388369735 /nfs/dbraw/zinc/36/97/35/388369735.db2.gz ZMGMWADJUNMRGP-MNOVXSKESA-N 1 2 234.299 2.151 20 30 BEEDLO CCc1ccc(C[NH2+]CC(C)(C)C#N)o1 ZINC000164682998 388396060 /nfs/dbraw/zinc/39/60/60/388396060.db2.gz YQTBUDVDSRAKTI-UHFFFAOYSA-N 1 2 206.289 2.481 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C#N)cc1OC ZINC000572982257 388402411 /nfs/dbraw/zinc/40/24/11/388402411.db2.gz PUFVRCXMXVNFOF-ZDUSSCGKSA-N 1 2 243.310 2.349 20 30 BEEDLO Cc1noc(C)c1CNc1cc(CC#N)cc[nH+]1 ZINC000545927845 388466153 /nfs/dbraw/zinc/46/61/53/388466153.db2.gz GTRNWNDJIAXGFX-UHFFFAOYSA-N 1 2 242.282 2.365 20 30 BEEDLO C=C1CC[NH+](Cc2ncc(CC)o2)CC1 ZINC000524756023 388407551 /nfs/dbraw/zinc/40/75/51/388407551.db2.gz KKWUAIKHMICBBQ-UHFFFAOYSA-N 1 2 206.289 2.389 20 30 BEEDLO COCC[N@H+](CC#N)C[C@H]1CCCC(F)(F)C1 ZINC000316531818 388415653 /nfs/dbraw/zinc/41/56/53/388415653.db2.gz YWJVJVXPXFYBGE-NSHDSACASA-N 1 2 246.301 2.284 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@H]1CCCC(F)(F)C1 ZINC000316531818 388415657 /nfs/dbraw/zinc/41/56/57/388415657.db2.gz YWJVJVXPXFYBGE-NSHDSACASA-N 1 2 246.301 2.284 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)[C@@H](C)CO1 ZINC000245546889 388423411 /nfs/dbraw/zinc/42/34/11/388423411.db2.gz VWXIEIVAYXRCHW-VHSXEESVSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@@H](C)CO1 ZINC000245546889 388423414 /nfs/dbraw/zinc/42/34/14/388423414.db2.gz VWXIEIVAYXRCHW-VHSXEESVSA-N 1 2 236.340 2.229 20 30 BEEDLO COCC[N@H+](CC#N)C[C@H](C)CC(C)C ZINC000316966694 388424718 /nfs/dbraw/zinc/42/47/18/388424718.db2.gz HGICPYIKMXUYJY-GFCCVEGCSA-N 1 2 212.337 2.141 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@H](C)CC(C)C ZINC000316966694 388424719 /nfs/dbraw/zinc/42/47/19/388424719.db2.gz HGICPYIKMXUYJY-GFCCVEGCSA-N 1 2 212.337 2.141 20 30 BEEDLO N#Cc1ccc(C[NH2+]Cc2nccs2)s1 ZINC000135497007 388498760 /nfs/dbraw/zinc/49/87/60/388498760.db2.gz XYEPBLWICIZHEV-UHFFFAOYSA-N 1 2 235.337 2.366 20 30 BEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000517390520 388549458 /nfs/dbraw/zinc/54/94/58/388549458.db2.gz FEGZOSKGXJWENB-GFCCVEGCSA-N 1 2 245.326 2.215 20 30 BEEDLO C=CC[N@@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000189057846 388618445 /nfs/dbraw/zinc/61/84/45/388618445.db2.gz PKYZFKWBUWQKCA-UHFFFAOYSA-N 1 2 229.283 2.354 20 30 BEEDLO C=CC[N@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000189057846 388618446 /nfs/dbraw/zinc/61/84/46/388618446.db2.gz PKYZFKWBUWQKCA-UHFFFAOYSA-N 1 2 229.283 2.354 20 30 BEEDLO CC1(C)COCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191962703 388672060 /nfs/dbraw/zinc/67/20/60/388672060.db2.gz LSTZSWLJFLGEFB-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO CC1(C)COCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191962703 388672062 /nfs/dbraw/zinc/67/20/62/388672062.db2.gz LSTZSWLJFLGEFB-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H](C#N)C1 ZINC000248500948 388682148 /nfs/dbraw/zinc/68/21/48/388682148.db2.gz SYEQLWJCPUELCR-UPJWGTAASA-N 1 2 222.332 2.037 20 30 BEEDLO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@@H](C#N)C1 ZINC000248500948 388682150 /nfs/dbraw/zinc/68/21/50/388682150.db2.gz SYEQLWJCPUELCR-UPJWGTAASA-N 1 2 222.332 2.037 20 30 BEEDLO Cc1ncc(C[NH2+]CC2(C#N)CCCC2)o1 ZINC000405110180 388637741 /nfs/dbraw/zinc/63/77/41/388637741.db2.gz RXQQKLGOCCHMFO-UHFFFAOYSA-N 1 2 219.288 2.157 20 30 BEEDLO Cc1cc(NC[C@@H]2C[C@H]2C(C)C)c(C#N)c[nH+]1 ZINC000425269331 388701644 /nfs/dbraw/zinc/70/16/44/388701644.db2.gz QRHMJHXHPKLSDX-AAEUAGOBSA-N 1 2 229.327 2.388 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC(CC(F)F)C2)o1 ZINC000425365187 388704554 /nfs/dbraw/zinc/70/45/54/388704554.db2.gz JFRSIWIPXDMRIO-UHFFFAOYSA-N 1 2 226.226 2.238 20 30 BEEDLO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCO[C@@H](C#N)C1 ZINC000249143693 388710587 /nfs/dbraw/zinc/71/05/87/388710587.db2.gz YKFNYEXNZRUEBU-MELADBBJSA-N 1 2 234.343 2.203 20 30 BEEDLO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@@H](C#N)C1 ZINC000249143693 388710590 /nfs/dbraw/zinc/71/05/90/388710590.db2.gz YKFNYEXNZRUEBU-MELADBBJSA-N 1 2 234.343 2.203 20 30 BEEDLO Cc1cn(Cc2[nH+]ccn2C(F)F)cc1C#N ZINC000533228373 388724579 /nfs/dbraw/zinc/72/45/79/388724579.db2.gz YVJAZHXOQSNZIH-UHFFFAOYSA-N 1 2 236.225 2.308 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2cc(C#N)ccc2F)[C@H]1C ZINC000156024968 388785174 /nfs/dbraw/zinc/78/51/74/388785174.db2.gz DGPDAVVMCOEFLM-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1C ZINC000156024968 388785178 /nfs/dbraw/zinc/78/51/78/388785178.db2.gz DGPDAVVMCOEFLM-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO N#Cc1ccc(NCCCCn2cc[nH+]c2)cn1 ZINC000147237422 388842491 /nfs/dbraw/zinc/84/24/91/388842491.db2.gz AEKRRENCGYTVNJ-UHFFFAOYSA-N 1 2 241.298 2.042 20 30 BEEDLO C=CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565205719 388926126 /nfs/dbraw/zinc/92/61/26/388926126.db2.gz CVLOLQWEBWFBRH-LBPRGKRZSA-N 1 2 249.358 2.451 20 30 BEEDLO C=CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565205719 388926128 /nfs/dbraw/zinc/92/61/28/388926128.db2.gz CVLOLQWEBWFBRH-LBPRGKRZSA-N 1 2 249.358 2.451 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)C/C=C/c1ccncc1 ZINC000494997411 533600360 /nfs/dbraw/zinc/60/03/60/533600360.db2.gz PGVQQNNCHSROTQ-AAOUONPWSA-N 1 2 215.300 2.329 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)C/C=C/c1ccncc1 ZINC000494997411 533600367 /nfs/dbraw/zinc/60/03/67/533600367.db2.gz PGVQQNNCHSROTQ-AAOUONPWSA-N 1 2 215.300 2.329 20 30 BEEDLO C=CCC[C@H](C)[NH2+]c1ccc(OCC(N)=O)cc1 ZINC000130602538 133659988 /nfs/dbraw/zinc/65/99/88/133659988.db2.gz JCLJRZBUAYMUDC-NSHDSACASA-N 1 2 248.326 2.317 20 30 BEEDLO N#CC[N@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000331782366 134002520 /nfs/dbraw/zinc/00/25/20/134002520.db2.gz AVUTXDSAFJDGLX-UHFFFAOYSA-N 1 2 247.342 2.075 20 30 BEEDLO N#CC[N@@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000331782366 134002521 /nfs/dbraw/zinc/00/25/21/134002521.db2.gz AVUTXDSAFJDGLX-UHFFFAOYSA-N 1 2 247.342 2.075 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000352086419 134060989 /nfs/dbraw/zinc/06/09/89/134060989.db2.gz BWKSPSABKDAXRP-SECBINFHSA-N 1 2 219.313 2.211 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000352086419 134060990 /nfs/dbraw/zinc/06/09/90/134060990.db2.gz BWKSPSABKDAXRP-SECBINFHSA-N 1 2 219.313 2.211 20 30 BEEDLO CCOc1cccc(C[N@H+](C)C[C@@H](C)C#N)n1 ZINC000352096747 134063168 /nfs/dbraw/zinc/06/31/68/134063168.db2.gz JMRUDGDBSLIVJV-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO CCOc1cccc(C[N@@H+](C)C[C@@H](C)C#N)n1 ZINC000352096747 134063169 /nfs/dbraw/zinc/06/31/69/134063169.db2.gz JMRUDGDBSLIVJV-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000336077600 134073804 /nfs/dbraw/zinc/07/38/04/134073804.db2.gz PDOPAGZHCZFJFT-HNNXBMFYSA-N 1 2 242.322 2.422 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000336077600 134073805 /nfs/dbraw/zinc/07/38/05/134073805.db2.gz PDOPAGZHCZFJFT-HNNXBMFYSA-N 1 2 242.322 2.422 20 30 BEEDLO N#CCC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000336083395 134075936 /nfs/dbraw/zinc/07/59/36/134075936.db2.gz PCYPMPCWKQMMOC-UHFFFAOYSA-N 1 2 212.296 2.447 20 30 BEEDLO N#CCC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000336083395 134075937 /nfs/dbraw/zinc/07/59/37/134075937.db2.gz PCYPMPCWKQMMOC-UHFFFAOYSA-N 1 2 212.296 2.447 20 30 BEEDLO C=CCN(C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000336119738 134090126 /nfs/dbraw/zinc/09/01/26/134090126.db2.gz PZNXTOYISXAECM-UHFFFAOYSA-N 1 2 244.298 2.292 20 30 BEEDLO CC1(C)CCC[N@H+](CC[C@H]2CCOC2)[C@@H]1C#N ZINC000336184713 134120932 /nfs/dbraw/zinc/12/09/32/134120932.db2.gz QWDJZMFJVXULNX-QWHCGFSZSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCC[N@@H+](CC[C@H]2CCOC2)[C@@H]1C#N ZINC000336184713 134120933 /nfs/dbraw/zinc/12/09/33/134120933.db2.gz QWDJZMFJVXULNX-QWHCGFSZSA-N 1 2 236.359 2.427 20 30 BEEDLO N#CC1(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)CCC1 ZINC000333723258 134128845 /nfs/dbraw/zinc/12/88/45/134128845.db2.gz RXMYIUIIQPDOKG-GFCCVEGCSA-N 1 2 230.315 2.240 20 30 BEEDLO N#CC1(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)CCC1 ZINC000333723258 134128846 /nfs/dbraw/zinc/12/88/46/134128846.db2.gz RXMYIUIIQPDOKG-GFCCVEGCSA-N 1 2 230.315 2.240 20 30 BEEDLO CC#CC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000336352699 134144741 /nfs/dbraw/zinc/14/47/41/134144741.db2.gz VUXGYMWLWDXDJW-AWEZNQCLSA-N 1 2 215.296 2.083 20 30 BEEDLO CC#CC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000336352699 134144742 /nfs/dbraw/zinc/14/47/42/134144742.db2.gz VUXGYMWLWDXDJW-AWEZNQCLSA-N 1 2 215.296 2.083 20 30 BEEDLO N#Cc1ccccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352448387 134145484 /nfs/dbraw/zinc/14/54/84/134145484.db2.gz GQOHOLZVQHHPLI-UHFFFAOYSA-N 1 2 243.285 2.386 20 30 BEEDLO C=CC[N@H+](CCC#N)CCc1ccco1 ZINC000352700001 134151035 /nfs/dbraw/zinc/15/10/35/134151035.db2.gz JNIOHXCHEGFJFJ-UHFFFAOYSA-N 1 2 204.273 2.224 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCc1ccco1 ZINC000352700001 134151036 /nfs/dbraw/zinc/15/10/36/134151036.db2.gz JNIOHXCHEGFJFJ-UHFFFAOYSA-N 1 2 204.273 2.224 20 30 BEEDLO N#CCCCCNc1nc(N)c2ccccc2[nH+]1 ZINC000301879174 134156818 /nfs/dbraw/zinc/15/68/18/134156818.db2.gz LJJHUUOBDIKRNZ-UHFFFAOYSA-N 1 2 241.298 2.318 20 30 BEEDLO C=CCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301897064 134156829 /nfs/dbraw/zinc/15/68/29/134156829.db2.gz QVXHTNSLKVGUEK-UHFFFAOYSA-N 1 2 231.303 2.179 20 30 BEEDLO C[N@H+](Cc1cncc(F)c1)CC(C)(C)C#N ZINC000354041414 134166514 /nfs/dbraw/zinc/16/65/14/134166514.db2.gz TVFOJGPEEWNXBH-UHFFFAOYSA-N 1 2 221.279 2.202 20 30 BEEDLO C[N@@H+](Cc1cncc(F)c1)CC(C)(C)C#N ZINC000354041414 134166515 /nfs/dbraw/zinc/16/65/15/134166515.db2.gz TVFOJGPEEWNXBH-UHFFFAOYSA-N 1 2 221.279 2.202 20 30 BEEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1F)C1CC1 ZINC000357527345 134183675 /nfs/dbraw/zinc/18/36/75/134183675.db2.gz JJVXETZZEBAKJT-UHFFFAOYSA-N 1 2 248.301 2.415 20 30 BEEDLO C=CC[N@H+](CC(=O)Nc1ccccc1F)C1CC1 ZINC000357527345 134183676 /nfs/dbraw/zinc/18/36/76/134183676.db2.gz JJVXETZZEBAKJT-UHFFFAOYSA-N 1 2 248.301 2.415 20 30 BEEDLO N#CCC1(CNc2cc[nH+]c3ccncc23)CC1 ZINC000362360380 134209877 /nfs/dbraw/zinc/20/98/77/134209877.db2.gz TWOZAOXTFXGVNG-UHFFFAOYSA-N 1 2 238.294 2.157 20 30 BEEDLO CC(C)(C)CC[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369233311 134222116 /nfs/dbraw/zinc/22/21/16/134222116.db2.gz ZJWJJWSRNWNRQP-ZDUSSCGKSA-N 1 2 235.375 2.095 20 30 BEEDLO CC(C)(C)CC[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369233311 134222117 /nfs/dbraw/zinc/22/21/17/134222117.db2.gz ZJWJJWSRNWNRQP-ZDUSSCGKSA-N 1 2 235.375 2.095 20 30 BEEDLO N#C[C@@H]1C[N@H+](C[C@@H]2CC=CCC2)CCN1C1CC1 ZINC000371328319 134228352 /nfs/dbraw/zinc/22/83/52/134228352.db2.gz UKMJOQVJPJIJRS-UKRRQHHQSA-N 1 2 245.370 2.015 20 30 BEEDLO N#C[C@@H]1C[N@@H+](C[C@@H]2CC=CCC2)CCN1C1CC1 ZINC000371328319 134228353 /nfs/dbraw/zinc/22/83/53/134228353.db2.gz UKMJOQVJPJIJRS-UKRRQHHQSA-N 1 2 245.370 2.015 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000337416164 135015591 /nfs/dbraw/zinc/01/55/91/135015591.db2.gz ROKLEFJSIWSZOQ-QWRGUYRKSA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1C(F)F ZINC000337416164 135015593 /nfs/dbraw/zinc/01/55/93/135015593.db2.gz ROKLEFJSIWSZOQ-QWRGUYRKSA-N 1 2 233.302 2.433 20 30 BEEDLO C[C@@H](C#N)C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000337536712 135018906 /nfs/dbraw/zinc/01/89/06/135018906.db2.gz NHJAIXVSXHKBGK-VIFPVBQESA-N 1 2 247.298 2.357 20 30 BEEDLO CCN(C)c1ccc(C[N@H+](C)[C@H](C)CC#N)cn1 ZINC000248826672 135022968 /nfs/dbraw/zinc/02/29/68/135022968.db2.gz HEEYTOSEXDBKIM-GFCCVEGCSA-N 1 2 246.358 2.272 20 30 BEEDLO CCN(C)c1ccc(C[N@@H+](C)[C@H](C)CC#N)cn1 ZINC000248826672 135022971 /nfs/dbraw/zinc/02/29/71/135022971.db2.gz HEEYTOSEXDBKIM-GFCCVEGCSA-N 1 2 246.358 2.272 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000338291564 135031521 /nfs/dbraw/zinc/03/15/21/135031521.db2.gz WLGBTPRYIMLBKD-UHFFFAOYSA-N 1 2 222.336 2.041 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000338291564 135031522 /nfs/dbraw/zinc/03/15/22/135031522.db2.gz WLGBTPRYIMLBKD-UHFFFAOYSA-N 1 2 222.336 2.041 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1ccccn1)C1CC1 ZINC000338360071 135033997 /nfs/dbraw/zinc/03/39/97/135033997.db2.gz PBVSDTCGVJOFLT-LLVKDONJSA-N 1 2 215.300 2.206 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000338360071 135033998 /nfs/dbraw/zinc/03/39/98/135033998.db2.gz PBVSDTCGVJOFLT-LLVKDONJSA-N 1 2 215.300 2.206 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1cccnc1)C1CC1 ZINC000338350904 135034543 /nfs/dbraw/zinc/03/45/43/135034543.db2.gz KSLABIFOGJRZKS-NSHDSACASA-N 1 2 215.300 2.206 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000338350904 135034545 /nfs/dbraw/zinc/03/45/45/135034545.db2.gz KSLABIFOGJRZKS-NSHDSACASA-N 1 2 215.300 2.206 20 30 BEEDLO COC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(C)o1 ZINC000331804187 135036368 /nfs/dbraw/zinc/03/63/68/135036368.db2.gz ADVKCAMJHHGIRT-LLVKDONJSA-N 1 2 234.299 2.169 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3ccco3)C2)C1 ZINC000339018493 135052512 /nfs/dbraw/zinc/05/25/12/135052512.db2.gz ZBKWGPJNDKYWMG-MBNYWOFBSA-N 1 2 246.310 2.345 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3ccco3)C2)C1 ZINC000339018493 135052515 /nfs/dbraw/zinc/05/25/15/135052515.db2.gz ZBKWGPJNDKYWMG-MBNYWOFBSA-N 1 2 246.310 2.345 20 30 BEEDLO N#CCCCC/[NH+]=C/c1cccc(O)c1O ZINC000264049495 135130316 /nfs/dbraw/zinc/13/03/16/135130316.db2.gz LVIHERXUJLHAQZ-NTEUORMPSA-N 1 2 218.256 2.211 20 30 BEEDLO C[N@H+](Cc1ccc2c(c1)OCO2)CC1(C#N)CC1 ZINC000258801503 135134116 /nfs/dbraw/zinc/13/41/16/135134116.db2.gz ASLCEICGJAXZBJ-UHFFFAOYSA-N 1 2 244.294 2.151 20 30 BEEDLO C[N@@H+](Cc1ccc2c(c1)OCO2)CC1(C#N)CC1 ZINC000258801503 135134117 /nfs/dbraw/zinc/13/41/17/135134117.db2.gz ASLCEICGJAXZBJ-UHFFFAOYSA-N 1 2 244.294 2.151 20 30 BEEDLO C[N@H+](Cc1ccccn1)CC(C)(C)C#N ZINC000258946245 135136069 /nfs/dbraw/zinc/13/60/69/135136069.db2.gz QWUQHSHXAYAQBR-UHFFFAOYSA-N 1 2 203.289 2.063 20 30 BEEDLO C[N@@H+](Cc1ccccn1)CC(C)(C)C#N ZINC000258946245 135136070 /nfs/dbraw/zinc/13/60/70/135136070.db2.gz QWUQHSHXAYAQBR-UHFFFAOYSA-N 1 2 203.289 2.063 20 30 BEEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCC#N ZINC000265537319 135145266 /nfs/dbraw/zinc/14/52/66/135145266.db2.gz VUVVSVSHHDPMFN-CYBMUJFWSA-N 1 2 246.310 2.136 20 30 BEEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCC#N ZINC000265537319 135145268 /nfs/dbraw/zinc/14/52/68/135145268.db2.gz VUVVSVSHHDPMFN-CYBMUJFWSA-N 1 2 246.310 2.136 20 30 BEEDLO CC[N@H+](CCC#N)[C@@H](C)c1ccccn1 ZINC000267336557 135153607 /nfs/dbraw/zinc/15/36/07/135153607.db2.gz BCSURVVBXHMUNJ-NSHDSACASA-N 1 2 203.289 2.378 20 30 BEEDLO CC[N@@H+](CCC#N)[C@@H](C)c1ccccn1 ZINC000267336557 135153608 /nfs/dbraw/zinc/15/36/08/135153608.db2.gz BCSURVVBXHMUNJ-NSHDSACASA-N 1 2 203.289 2.378 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268262994 135158350 /nfs/dbraw/zinc/15/83/50/135158350.db2.gz LPPIWGSNJGQVQU-VXGBXAGGSA-N 1 2 234.299 2.081 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268262994 135158351 /nfs/dbraw/zinc/15/83/51/135158351.db2.gz LPPIWGSNJGQVQU-VXGBXAGGSA-N 1 2 234.299 2.081 20 30 BEEDLO CC(C)(C#N)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297644280 135196658 /nfs/dbraw/zinc/19/66/58/135196658.db2.gz DQHJAOFYSICJBO-UHFFFAOYSA-N 1 2 242.282 2.213 20 30 BEEDLO C=C(CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC000340871492 135230894 /nfs/dbraw/zinc/23/08/94/135230894.db2.gz HJYGUKILSYZUOU-UHFFFAOYSA-N 1 2 225.295 2.332 20 30 BEEDLO Cc1occc1C[N@@H+](C)CC1(C#N)CC1 ZINC000343141848 135360341 /nfs/dbraw/zinc/36/03/41/135360341.db2.gz RLZDSFBABUCRKM-UHFFFAOYSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1occc1C[N@H+](C)CC1(C#N)CC1 ZINC000343141848 135360343 /nfs/dbraw/zinc/36/03/43/135360343.db2.gz RLZDSFBABUCRKM-UHFFFAOYSA-N 1 2 204.273 2.324 20 30 BEEDLO N#CCCCNc1cc[nH+]c2ccncc12 ZINC000273354133 135366449 /nfs/dbraw/zinc/36/64/49/135366449.db2.gz PUEWDLJMYAKVTC-UHFFFAOYSA-N 1 2 212.256 2.345 20 30 BEEDLO C[C@@]1(F)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000334358718 135370921 /nfs/dbraw/zinc/37/09/21/135370921.db2.gz UAUPTCOLRDEWDC-LLVKDONJSA-N 1 2 208.236 2.085 20 30 BEEDLO C[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000334358718 135370923 /nfs/dbraw/zinc/37/09/23/135370923.db2.gz UAUPTCOLRDEWDC-LLVKDONJSA-N 1 2 208.236 2.085 20 30 BEEDLO C=C(C[NH2+][C@H](CC)C(=O)OC)c1ccccc1 ZINC000287325123 135371589 /nfs/dbraw/zinc/37/15/89/135371589.db2.gz VNHXUVCEBTWNTM-CYBMUJFWSA-N 1 2 233.311 2.241 20 30 BEEDLO C=C(C[NH2+][C@@H](CC)C(=O)OC)c1ccccc1 ZINC000287325125 135371748 /nfs/dbraw/zinc/37/17/48/135371748.db2.gz VNHXUVCEBTWNTM-ZDUSSCGKSA-N 1 2 233.311 2.241 20 30 BEEDLO C=CC[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000348284021 136060021 /nfs/dbraw/zinc/06/00/21/136060021.db2.gz FHSGOPABFOXXKM-LLVKDONJSA-N 1 2 243.310 2.497 20 30 BEEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000595623978 397993300 /nfs/dbraw/zinc/99/33/00/397993300.db2.gz ZVZJFBCTKPTHGX-SNVBAGLBSA-N 1 2 246.339 2.140 20 30 BEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000595623978 397993301 /nfs/dbraw/zinc/99/33/01/397993301.db2.gz ZVZJFBCTKPTHGX-SNVBAGLBSA-N 1 2 246.339 2.140 20 30 BEEDLO C[C@H](c1csnn1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623489 397993578 /nfs/dbraw/zinc/99/35/78/397993578.db2.gz RMQMEOGYTCUMTD-NXEZZACHSA-N 1 2 236.344 2.225 20 30 BEEDLO C[C@H](c1csnn1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623489 397993583 /nfs/dbraw/zinc/99/35/83/397993583.db2.gz RMQMEOGYTCUMTD-NXEZZACHSA-N 1 2 236.344 2.225 20 30 BEEDLO Cc1ccc(C[NH+]2CC(CC#N)C2)cc1F ZINC000597194666 398011500 /nfs/dbraw/zinc/01/15/00/398011500.db2.gz WHVDXMVCQYXFLE-UHFFFAOYSA-N 1 2 218.275 2.480 20 30 BEEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000172719222 398042815 /nfs/dbraw/zinc/04/28/15/398042815.db2.gz DYTSHRAVCZBCPO-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000172719222 398042822 /nfs/dbraw/zinc/04/28/22/398042822.db2.gz DYTSHRAVCZBCPO-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C[C@H](Cn1cc[nH+]c1)Nc1cc(F)ccc1C#N ZINC001650617490 1172883869 /nfs/dbraw/zinc/88/38/69/1172883869.db2.gz MNIVJCXDUYETCK-SNVBAGLBSA-N 1 2 244.273 2.394 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C)c(C)o1 ZINC000279248484 166110676 /nfs/dbraw/zinc/11/06/76/166110676.db2.gz KYTYFWRPYKZELA-UHFFFAOYSA-N 1 2 206.289 2.135 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000279248484 166110679 /nfs/dbraw/zinc/11/06/79/166110679.db2.gz KYTYFWRPYKZELA-UHFFFAOYSA-N 1 2 206.289 2.135 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C)cs1 ZINC000279317924 166111395 /nfs/dbraw/zinc/11/13/95/166111395.db2.gz SARFNDLGNNZBQK-UHFFFAOYSA-N 1 2 208.330 2.295 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C)cs1 ZINC000279317924 166111397 /nfs/dbraw/zinc/11/13/97/166111397.db2.gz SARFNDLGNNZBQK-UHFFFAOYSA-N 1 2 208.330 2.295 20 30 BEEDLO CC1(O)CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000335819735 410059823 /nfs/dbraw/zinc/05/98/23/410059823.db2.gz YJTVTUAAGDUQCX-UHFFFAOYSA-N 1 2 248.301 2.044 20 30 BEEDLO C=CC[N@H+](Cc1ccncc1F)[C@H](C)COC ZINC000661241391 410402758 /nfs/dbraw/zinc/40/27/58/410402758.db2.gz XIGVZIXZZOPVOG-LLVKDONJSA-N 1 2 238.306 2.244 20 30 BEEDLO C=CC[N@@H+](Cc1ccncc1F)[C@H](C)COC ZINC000661241391 410402762 /nfs/dbraw/zinc/40/27/62/410402762.db2.gz XIGVZIXZZOPVOG-LLVKDONJSA-N 1 2 238.306 2.244 20 30 BEEDLO C=CC[N@H+](Cc1nc(C)c(C)o1)[C@H](C)COC ZINC000661243394 410407609 /nfs/dbraw/zinc/40/76/09/410407609.db2.gz KHEHELNHLFIDJL-SNVBAGLBSA-N 1 2 238.331 2.314 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C)c(C)o1)[C@H](C)COC ZINC000661243394 410407617 /nfs/dbraw/zinc/40/76/17/410407617.db2.gz KHEHELNHLFIDJL-SNVBAGLBSA-N 1 2 238.331 2.314 20 30 BEEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000172977235 166167796 /nfs/dbraw/zinc/16/77/96/166167796.db2.gz NYXKUUSTIUJDJC-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C#CC[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000172977235 166167798 /nfs/dbraw/zinc/16/77/98/166167798.db2.gz NYXKUUSTIUJDJC-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C#CC[N@@H+](CC)[C@@H](C(=O)OC)c1ccccc1C ZINC000274296462 166169405 /nfs/dbraw/zinc/16/94/05/166169405.db2.gz ACJDQZPDMOQJLD-CQSZACIVSA-N 1 2 245.322 2.164 20 30 BEEDLO C#CC[N@H+](CC)[C@@H](C(=O)OC)c1ccccc1C ZINC000274296462 166169407 /nfs/dbraw/zinc/16/94/07/166169407.db2.gz ACJDQZPDMOQJLD-CQSZACIVSA-N 1 2 245.322 2.164 20 30 BEEDLO C=CC[N@@H+](C)Cc1csc([C@@H](C)OC)n1 ZINC000177474732 166324924 /nfs/dbraw/zinc/32/49/24/166324924.db2.gz URWJUVQKNRGMRA-SECBINFHSA-N 1 2 226.345 2.468 20 30 BEEDLO C=CC[N@H+](C)Cc1csc([C@@H](C)OC)n1 ZINC000177474732 166324927 /nfs/dbraw/zinc/32/49/27/166324927.db2.gz URWJUVQKNRGMRA-SECBINFHSA-N 1 2 226.345 2.468 20 30 BEEDLO C=CC[NH+](CC=C)[C@@H](CC)C(=O)OCC ZINC000082761094 166337761 /nfs/dbraw/zinc/33/77/61/166337761.db2.gz CNEUXDMOMQBHQZ-NSHDSACASA-N 1 2 211.305 2.002 20 30 BEEDLO C=CC[NH+](CC=C)[C@H](CC)C(=O)OCC ZINC000082761095 166338143 /nfs/dbraw/zinc/33/81/43/166338143.db2.gz CNEUXDMOMQBHQZ-LLVKDONJSA-N 1 2 211.305 2.002 20 30 BEEDLO C=CC[N@H+](CCc1ccco1)Cc1cocn1 ZINC000277401597 166344784 /nfs/dbraw/zinc/34/47/84/166344784.db2.gz HCJPRRYOEUZFPC-UHFFFAOYSA-N 1 2 232.283 2.498 20 30 BEEDLO C=CC[N@@H+](CCc1ccco1)Cc1cocn1 ZINC000277401597 166344787 /nfs/dbraw/zinc/34/47/87/166344787.db2.gz HCJPRRYOEUZFPC-UHFFFAOYSA-N 1 2 232.283 2.498 20 30 BEEDLO C=CC[N@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000271460439 166349027 /nfs/dbraw/zinc/34/90/27/166349027.db2.gz PSVXMFDCKDGEHN-UHFFFAOYSA-N 1 2 219.288 2.097 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C2CC2)no1)C1CC1 ZINC000271460439 166349030 /nfs/dbraw/zinc/34/90/30/166349030.db2.gz PSVXMFDCKDGEHN-UHFFFAOYSA-N 1 2 219.288 2.097 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(C)n1CCC)C1CC1 ZINC000271545753 166349405 /nfs/dbraw/zinc/34/94/05/166349405.db2.gz ZQPGLOFJZVEALL-UHFFFAOYSA-N 1 2 234.347 2.147 20 30 BEEDLO C=CC[N@H+](Cc1nnc(C)n1CCC)C1CC1 ZINC000271545753 166349407 /nfs/dbraw/zinc/34/94/07/166349407.db2.gz ZQPGLOFJZVEALL-UHFFFAOYSA-N 1 2 234.347 2.147 20 30 BEEDLO C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@@H](C)C1=O ZINC000661545411 410742667 /nfs/dbraw/zinc/74/26/67/410742667.db2.gz WKGRCNZMIYGYBG-ZIAGYGMSSA-N 1 2 241.334 2.195 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595504541 411150906 /nfs/dbraw/zinc/15/09/06/411150906.db2.gz FPZRSXYCACNAJD-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595504541 411150907 /nfs/dbraw/zinc/15/09/07/411150907.db2.gz FPZRSXYCACNAJD-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO C=C(C)CCNc1nc[nH+]c(C)c1OC ZINC000656195057 411200524 /nfs/dbraw/zinc/20/05/24/411200524.db2.gz XRKJMMLCGNXVNR-UHFFFAOYSA-N 1 2 207.277 2.172 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csnn1 ZINC000662089897 411360050 /nfs/dbraw/zinc/36/00/50/411360050.db2.gz GWDIOPRBSLWIAW-PHIMTYICSA-N 1 2 221.329 2.221 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csnn1 ZINC000662089897 411360052 /nfs/dbraw/zinc/36/00/52/411360052.db2.gz GWDIOPRBSLWIAW-PHIMTYICSA-N 1 2 221.329 2.221 20 30 BEEDLO CC1=C[C@H](C)C[C@H](C[N@@H+]2CCO[C@H](C#N)C2)C1 ZINC000356193696 168128918 /nfs/dbraw/zinc/12/89/18/168128918.db2.gz NWQMRVZMFIULQQ-FPMFFAJLSA-N 1 2 234.343 2.203 20 30 BEEDLO CC1=C[C@H](C)C[C@H](C[N@H+]2CCO[C@H](C#N)C2)C1 ZINC000356193696 168128921 /nfs/dbraw/zinc/12/89/21/168128921.db2.gz NWQMRVZMFIULQQ-FPMFFAJLSA-N 1 2 234.343 2.203 20 30 BEEDLO C=CC[N@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662233310 411381460 /nfs/dbraw/zinc/38/14/60/411381460.db2.gz CYBYUVSJSMFPOA-RKDXNWHRSA-N 1 2 223.238 2.214 20 30 BEEDLO C=CC[N@@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662233310 411381463 /nfs/dbraw/zinc/38/14/63/411381463.db2.gz CYBYUVSJSMFPOA-RKDXNWHRSA-N 1 2 223.238 2.214 20 30 BEEDLO C=C(C)[C@H](CO)[N@@H+]1Cc2cccc(F)c2C1 ZINC000657192328 411417277 /nfs/dbraw/zinc/41/72/77/411417277.db2.gz JTPVIHPUZQINDZ-ZDUSSCGKSA-N 1 2 221.275 2.078 20 30 BEEDLO C=C(C)[C@H](CO)[N@H+]1Cc2cccc(F)c2C1 ZINC000657192328 411417279 /nfs/dbraw/zinc/41/72/79/411417279.db2.gz JTPVIHPUZQINDZ-ZDUSSCGKSA-N 1 2 221.275 2.078 20 30 BEEDLO C=C(C)C[N@@H+](CC)[C@@H](C)c1nnc(CC)[nH]1 ZINC000659829781 411466756 /nfs/dbraw/zinc/46/67/56/411466756.db2.gz VUBQWYVZLSQBMP-JTQLQIEISA-N 1 2 222.336 2.326 20 30 BEEDLO C=C(C)C[N@H+](CC)[C@@H](C)c1nnc(CC)[nH]1 ZINC000659829781 411466759 /nfs/dbraw/zinc/46/67/59/411466759.db2.gz VUBQWYVZLSQBMP-JTQLQIEISA-N 1 2 222.336 2.326 20 30 BEEDLO C=CC[N@H+](Cc1cc(C)on1)[C@@H](C)COC ZINC000661240188 411740380 /nfs/dbraw/zinc/74/03/80/411740380.db2.gz QIMNZVZMZIGGBM-JTQLQIEISA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[N@@H+](Cc1cc(C)on1)[C@@H](C)COC ZINC000661240188 411740385 /nfs/dbraw/zinc/74/03/85/411740385.db2.gz QIMNZVZMZIGGBM-JTQLQIEISA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[N@H+](Cc1csc(C)n1)[C@@H](C)COC ZINC000661240110 411741724 /nfs/dbraw/zinc/74/17/24/411741724.db2.gz LKWMEUCSRSYSTR-JTQLQIEISA-N 1 2 240.372 2.474 20 30 BEEDLO C=CC[N@@H+](Cc1csc(C)n1)[C@@H](C)COC ZINC000661240110 411741728 /nfs/dbraw/zinc/74/17/28/411741728.db2.gz LKWMEUCSRSYSTR-JTQLQIEISA-N 1 2 240.372 2.474 20 30 BEEDLO C=CC[N@H+](Cc1nccs1)[C@@H](C)COC ZINC000661242223 411742643 /nfs/dbraw/zinc/74/26/43/411742643.db2.gz LBFCYVRBRPPPEM-JTQLQIEISA-N 1 2 226.345 2.166 20 30 BEEDLO C=CC[N@@H+](Cc1nccs1)[C@@H](C)COC ZINC000661242223 411742646 /nfs/dbraw/zinc/74/26/46/411742646.db2.gz LBFCYVRBRPPPEM-JTQLQIEISA-N 1 2 226.345 2.166 20 30 BEEDLO C=CCCCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661405165 411769360 /nfs/dbraw/zinc/76/93/60/411769360.db2.gz CFQNSBYIACBBHV-NSHDSACASA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCCCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661405165 411769366 /nfs/dbraw/zinc/76/93/66/411769366.db2.gz CFQNSBYIACBBHV-NSHDSACASA-N 1 2 233.302 2.435 20 30 BEEDLO C=CC[N@@H+](Cc1noc(CC)n1)C(C)(C)C ZINC000661754908 411866750 /nfs/dbraw/zinc/86/67/50/411866750.db2.gz GSBRZKCXYMGEMS-UHFFFAOYSA-N 1 2 223.320 2.419 20 30 BEEDLO C=CC[N@H+](Cc1noc(CC)n1)C(C)(C)C ZINC000661754908 411866755 /nfs/dbraw/zinc/86/67/55/411866755.db2.gz GSBRZKCXYMGEMS-UHFFFAOYSA-N 1 2 223.320 2.419 20 30 BEEDLO C=CC[N@H+](Cc1csnn1)C(C)(C)C ZINC000661760294 411860275 /nfs/dbraw/zinc/86/02/75/411860275.db2.gz PJDDLVNCEWWVJD-UHFFFAOYSA-N 1 2 211.334 2.325 20 30 BEEDLO C=CC[N@@H+](Cc1csnn1)C(C)(C)C ZINC000661760294 411860279 /nfs/dbraw/zinc/86/02/79/411860279.db2.gz PJDDLVNCEWWVJD-UHFFFAOYSA-N 1 2 211.334 2.325 20 30 BEEDLO C=CCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000664228830 411889102 /nfs/dbraw/zinc/88/91/02/411889102.db2.gz VQBLZHBRBROTSR-UHFFFAOYSA-N 1 2 202.261 2.206 20 30 BEEDLO C=CCCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000664227785 411889175 /nfs/dbraw/zinc/88/91/75/411889175.db2.gz KAJLCBLHVXROEE-UHFFFAOYSA-N 1 2 235.335 2.049 20 30 BEEDLO C=CCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000664227785 411889176 /nfs/dbraw/zinc/88/91/76/411889176.db2.gz KAJLCBLHVXROEE-UHFFFAOYSA-N 1 2 235.335 2.049 20 30 BEEDLO C=CCOCCCNc1cc[nH+]c2ccncc12 ZINC000664386586 411937582 /nfs/dbraw/zinc/93/75/82/411937582.db2.gz RMCKFHONGQUNRE-UHFFFAOYSA-N 1 2 243.310 2.056 20 30 BEEDLO C=C(C)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662232157 412032388 /nfs/dbraw/zinc/03/23/88/412032388.db2.gz WNLHJVPRHUPAMH-SECBINFHSA-N 1 2 223.238 2.216 20 30 BEEDLO C=C(C)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662232157 412032391 /nfs/dbraw/zinc/03/23/91/412032391.db2.gz WNLHJVPRHUPAMH-SECBINFHSA-N 1 2 223.238 2.216 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662372759 412129956 /nfs/dbraw/zinc/12/99/56/412129956.db2.gz XMYUIGQZYNZZKL-ZYHUDNBSSA-N 1 2 231.286 2.144 20 30 BEEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662372759 412129958 /nfs/dbraw/zinc/12/99/58/412129958.db2.gz XMYUIGQZYNZZKL-ZYHUDNBSSA-N 1 2 231.286 2.144 20 30 BEEDLO CCc1nnc([C@H](C)[NH+]2CCC(C)(C#N)CC2)o1 ZINC000408159232 172065126 /nfs/dbraw/zinc/06/51/26/172065126.db2.gz OMYSVWLSOZBDHV-JTQLQIEISA-N 1 2 248.330 2.319 20 30 BEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](F)C1 ZINC000336262720 175051701 /nfs/dbraw/zinc/05/17/01/175051701.db2.gz MLTSNODTDHEBDD-LBPRGKRZSA-N 1 2 234.274 2.111 20 30 BEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](F)C1 ZINC000336262720 175051703 /nfs/dbraw/zinc/05/17/03/175051703.db2.gz MLTSNODTDHEBDD-LBPRGKRZSA-N 1 2 234.274 2.111 20 30 BEEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000176998078 176283998 /nfs/dbraw/zinc/28/39/98/176283998.db2.gz FYOBYPACUDSNHN-GFCCVEGCSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000176998078 176284000 /nfs/dbraw/zinc/28/40/00/176284000.db2.gz FYOBYPACUDSNHN-GFCCVEGCSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@@H](C2CC2)O1 ZINC000280538659 176303078 /nfs/dbraw/zinc/30/30/78/176303078.db2.gz JBNGMOXCOHATGM-YGRLFVJLSA-N 1 2 246.310 2.151 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@@H](C2CC2)O1 ZINC000280538659 176303079 /nfs/dbraw/zinc/30/30/79/176303079.db2.gz JBNGMOXCOHATGM-YGRLFVJLSA-N 1 2 246.310 2.151 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1C#N ZINC000035216154 177266943 /nfs/dbraw/zinc/26/69/43/177266943.db2.gz PQKNIMVLHRZBAF-NEPJUHHUSA-N 1 2 230.311 2.167 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1C#N ZINC000035216154 177266945 /nfs/dbraw/zinc/26/69/45/177266945.db2.gz PQKNIMVLHRZBAF-NEPJUHHUSA-N 1 2 230.311 2.167 20 30 BEEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1C#N ZINC000487896442 225330257 /nfs/dbraw/zinc/33/02/57/225330257.db2.gz KWIDTNFHOFOZAW-NSHDSACASA-N 1 2 227.311 2.458 20 30 BEEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1C#N ZINC000487896442 225330262 /nfs/dbraw/zinc/33/02/62/225330262.db2.gz KWIDTNFHOFOZAW-NSHDSACASA-N 1 2 227.311 2.458 20 30 BEEDLO N#Cc1c(F)cccc1COCc1[nH]cc[nH+]1 ZINC000488250558 225358227 /nfs/dbraw/zinc/35/82/27/225358227.db2.gz NRHBTUPSFJIYMS-UHFFFAOYSA-N 1 2 231.230 2.137 20 30 BEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cc[nH]n1 ZINC000507221756 226367652 /nfs/dbraw/zinc/36/76/52/226367652.db2.gz NWCHGTNIVAEGHQ-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc[nH]n1 ZINC000507221756 226367653 /nfs/dbraw/zinc/36/76/53/226367653.db2.gz NWCHGTNIVAEGHQ-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681355888 487782813 /nfs/dbraw/zinc/78/28/13/487782813.db2.gz AXWABKNAPFDBBO-NSHDSACASA-N 1 2 247.342 2.110 20 30 BEEDLO C=CCC[C@H]([NH2+]Cc1cn(C)nn1)c1ccco1 ZINC000671760275 487829144 /nfs/dbraw/zinc/82/91/44/487829144.db2.gz POWDIKIYHIVPAK-LBPRGKRZSA-N 1 2 246.314 2.205 20 30 BEEDLO Cc1noc([C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595610767 487872730 /nfs/dbraw/zinc/87/27/30/487872730.db2.gz BVSFHXRVONTNRG-ONGXEEELSA-N 1 2 234.303 2.065 20 30 BEEDLO Cc1noc([C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595610767 487872734 /nfs/dbraw/zinc/87/27/34/487872734.db2.gz BVSFHXRVONTNRG-ONGXEEELSA-N 1 2 234.303 2.065 20 30 BEEDLO C=CCCCCNC(=O)CCCn1cc[nH+]c1 ZINC000681144922 487909688 /nfs/dbraw/zinc/90/96/88/487909688.db2.gz FLRGPNRXXQZOHG-UHFFFAOYSA-N 1 2 235.331 2.136 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nc(C2CC2)nn1C ZINC000570207140 323052854 /nfs/dbraw/zinc/05/28/54/323052854.db2.gz JRONLHXTIDIWMG-UHFFFAOYSA-N 1 2 234.347 2.091 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nc(C2CC2)nn1C ZINC000570207140 323052855 /nfs/dbraw/zinc/05/28/55/323052855.db2.gz JRONLHXTIDIWMG-UHFFFAOYSA-N 1 2 234.347 2.091 20 30 BEEDLO C=CC1CC[NH+](Cc2nc(C3CC3)nn2C)CC1 ZINC000570206286 323052888 /nfs/dbraw/zinc/05/28/88/323052888.db2.gz GPACBGGEHFMHFL-UHFFFAOYSA-N 1 2 246.358 2.091 20 30 BEEDLO CCN(CCC#N)Cc1c[nH+]c2ccccn12 ZINC000160555679 323071382 /nfs/dbraw/zinc/07/13/82/323071382.db2.gz JVVZPGFSIQEUQH-UHFFFAOYSA-N 1 2 228.299 2.070 20 30 BEEDLO N#CCC[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000562987766 323078184 /nfs/dbraw/zinc/07/81/84/323078184.db2.gz KTCLRNCFJPGXEQ-UHFFFAOYSA-N 1 2 245.326 2.406 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000531440372 323089748 /nfs/dbraw/zinc/08/97/48/323089748.db2.gz OCWBPSAGHGKUAI-GFCCVEGCSA-N 1 2 201.273 2.132 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000531440372 323089749 /nfs/dbraw/zinc/08/97/49/323089749.db2.gz OCWBPSAGHGKUAI-GFCCVEGCSA-N 1 2 201.273 2.132 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000563412827 323124966 /nfs/dbraw/zinc/12/49/66/323124966.db2.gz RGSFHEFYXOGIIG-VHSXEESVSA-N 1 2 221.304 2.189 20 30 BEEDLO CC1(C)CCC[C@@H](C[N@@H+]2CCO[C@H](C#N)C2)C1 ZINC000535834019 323193035 /nfs/dbraw/zinc/19/30/35/323193035.db2.gz VVAKVLBIWWZONQ-CHWSQXEVSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCC[C@@H](C[N@H+]2CCO[C@H](C#N)C2)C1 ZINC000535834019 323193036 /nfs/dbraw/zinc/19/30/36/323193036.db2.gz VVAKVLBIWWZONQ-CHWSQXEVSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000536683682 323200890 /nfs/dbraw/zinc/20/08/90/323200890.db2.gz SQKQFRXJDHCMGQ-SNVBAGLBSA-N 1 2 228.299 2.297 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000536683682 323200891 /nfs/dbraw/zinc/20/08/91/323200891.db2.gz SQKQFRXJDHCMGQ-SNVBAGLBSA-N 1 2 228.299 2.297 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000536683682 323200892 /nfs/dbraw/zinc/20/08/92/323200892.db2.gz SQKQFRXJDHCMGQ-SNVBAGLBSA-N 1 2 228.299 2.297 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000536683682 323200893 /nfs/dbraw/zinc/20/08/93/323200893.db2.gz SQKQFRXJDHCMGQ-SNVBAGLBSA-N 1 2 228.299 2.297 20 30 BEEDLO COc1ccc(F)cc1C[NH2+]C[C@@H](C)C#N ZINC000309264223 323337151 /nfs/dbraw/zinc/33/71/51/323337151.db2.gz PUXIBEBPOVHCIQ-VIFPVBQESA-N 1 2 222.263 2.084 20 30 BEEDLO CC1(C#N)C[NH+](CC2Cc3ccccc3C2)C1 ZINC000571739326 323471370 /nfs/dbraw/zinc/47/13/70/323471370.db2.gz ZGIBOFBVMDLCDZ-UHFFFAOYSA-N 1 2 226.323 2.247 20 30 BEEDLO N#C[C@]1(F)CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000615651380 487958503 /nfs/dbraw/zinc/95/85/03/487958503.db2.gz IHFHUUADHDSNDC-VXGBXAGGSA-N 1 2 208.280 2.280 20 30 BEEDLO N#C[C@]1(F)CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000615651380 487958505 /nfs/dbraw/zinc/95/85/05/487958505.db2.gz IHFHUUADHDSNDC-VXGBXAGGSA-N 1 2 208.280 2.280 20 30 BEEDLO CCCc1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000543808998 325115207 /nfs/dbraw/zinc/11/52/07/325115207.db2.gz DIXVKFMXDCHNJP-UHFFFAOYSA-N 1 2 248.330 2.148 20 30 BEEDLO CCC[C@@](C)([NH2+]CCC(C)(C)C#N)C(=O)OC ZINC000131632276 325172404 /nfs/dbraw/zinc/17/24/04/325172404.db2.gz CENXAXPLRMSSOD-CYBMUJFWSA-N 1 2 240.347 2.248 20 30 BEEDLO CC1(C#N)C[NH+](C[C@@H]2CCCC2(F)F)C1 ZINC000566416321 326042457 /nfs/dbraw/zinc/04/24/57/326042457.db2.gz GNDWVIRCMWRKAE-VIFPVBQESA-N 1 2 214.259 2.267 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(C)cn1 ZINC000154254689 326136853 /nfs/dbraw/zinc/13/68/53/326136853.db2.gz NFCQIGMZEDAIQC-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(C)cn1 ZINC000154254689 326136856 /nfs/dbraw/zinc/13/68/56/326136856.db2.gz NFCQIGMZEDAIQC-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO C=CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC000567505013 326206647 /nfs/dbraw/zinc/20/66/47/326206647.db2.gz JPTBKPHGHIHYOZ-LLVKDONJSA-N 1 2 233.315 2.011 20 30 BEEDLO C=CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000568188312 326322969 /nfs/dbraw/zinc/32/29/69/326322969.db2.gz BTPDFRJRJSJQRW-LLVKDONJSA-N 1 2 247.342 2.013 20 30 BEEDLO C=CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000568188312 326322970 /nfs/dbraw/zinc/32/29/70/326322970.db2.gz BTPDFRJRJSJQRW-LLVKDONJSA-N 1 2 247.342 2.013 20 30 BEEDLO CCc1cnc(C[NH2+]C[C@H](C#N)CCC#N)s1 ZINC000568254958 326335939 /nfs/dbraw/zinc/33/59/39/326335939.db2.gz WVJRKIRGWHDDSK-JTQLQIEISA-N 1 2 248.355 2.239 20 30 BEEDLO C=CC(C)(C)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000568360031 326349349 /nfs/dbraw/zinc/34/93/49/326349349.db2.gz QDTYVSQXBMVXNN-UHFFFAOYSA-N 1 2 247.342 2.454 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000568406527 326354725 /nfs/dbraw/zinc/35/47/25/326354725.db2.gz NGXXBNUJSULUMJ-SECBINFHSA-N 1 2 219.288 2.035 20 30 BEEDLO CCC#C[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000677130330 487978432 /nfs/dbraw/zinc/97/84/32/487978432.db2.gz AJEIXMGFHOPRFW-VIFPVBQESA-N 1 2 246.339 2.257 20 30 BEEDLO C=C(C)[C@@H](CO)Sc1[nH+]cc2ccccn21 ZINC000677131981 487979552 /nfs/dbraw/zinc/97/95/52/487979552.db2.gz UTRUSIZKKRTJEW-LLVKDONJSA-N 1 2 234.324 2.363 20 30 BEEDLO C=CCCn1cc(C[NH+]2CC(CC)(CC)C2)nn1 ZINC000668231183 487496315 /nfs/dbraw/zinc/49/63/15/487496315.db2.gz PTXVNJDNNLQUHO-UHFFFAOYSA-N 1 2 248.374 2.476 20 30 BEEDLO C=CCCn1cc(C[NH+]2CC(C)(CC)C2)nn1 ZINC000668233799 487508545 /nfs/dbraw/zinc/50/85/45/487508545.db2.gz NEOJIERPTBHMMY-UHFFFAOYSA-N 1 2 234.347 2.086 20 30 BEEDLO Cc1cc(N2CCC(CCC#N)CC2)nc[nH+]1 ZINC000591957509 491071879 /nfs/dbraw/zinc/07/18/79/491071879.db2.gz IFBRAQCNUZTFPJ-UHFFFAOYSA-N 1 2 230.315 2.305 20 30 BEEDLO C[C@@H]1C[C@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000488342424 534019527 /nfs/dbraw/zinc/01/95/27/534019527.db2.gz XCUZSWKXRRLGGF-OLZOCXBDSA-N 1 2 229.327 2.453 20 30 BEEDLO C[C@@H]1C[C@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000488342424 534019534 /nfs/dbraw/zinc/01/95/34/534019534.db2.gz XCUZSWKXRRLGGF-OLZOCXBDSA-N 1 2 229.327 2.453 20 30 BEEDLO CC[N@H+](CCC#N)C[C@@H]1C[C@@]1(C)Br ZINC000891578986 582698709 /nfs/dbraw/zinc/69/87/09/582698709.db2.gz RXUDFDRQHQMONW-VHSXEESVSA-N 1 2 245.164 2.395 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@@H]1C[C@@]1(C)Br ZINC000891578986 582698710 /nfs/dbraw/zinc/69/87/10/582698710.db2.gz RXUDFDRQHQMONW-VHSXEESVSA-N 1 2 245.164 2.395 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(O)c(F)c1 ZINC000891715160 582712429 /nfs/dbraw/zinc/71/24/29/582712429.db2.gz AFJRZUAYZGYLIO-SECBINFHSA-N 1 2 222.263 2.123 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000891715160 582712431 /nfs/dbraw/zinc/71/24/31/582712431.db2.gz AFJRZUAYZGYLIO-SECBINFHSA-N 1 2 222.263 2.123 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(F)ncc1F ZINC000291395697 536055210 /nfs/dbraw/zinc/05/52/10/536055210.db2.gz DDARKESJMGKTLJ-SECBINFHSA-N 1 2 225.242 2.142 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cccc2c1OCCO2 ZINC000054183446 536058191 /nfs/dbraw/zinc/05/81/91/536058191.db2.gz FZXJSGKJXZFGQJ-GFCCVEGCSA-N 1 2 246.310 2.240 20 30 BEEDLO C=C(CC)C[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000358494349 534370694 /nfs/dbraw/zinc/37/06/94/534370694.db2.gz FKPQSJQWVOYBEA-JTQLQIEISA-N 1 2 239.319 2.175 20 30 BEEDLO C=C(CC)C[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000358494349 534370696 /nfs/dbraw/zinc/37/06/96/534370696.db2.gz FKPQSJQWVOYBEA-JTQLQIEISA-N 1 2 239.319 2.175 20 30 BEEDLO C=C(CC)C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000358627360 534391194 /nfs/dbraw/zinc/39/11/94/534391194.db2.gz WECNJBADJVUDLW-UHFFFAOYSA-N 1 2 248.326 2.004 20 30 BEEDLO C=CCC(C)(C)c1noc(CCn2cc[nH+]c2)n1 ZINC000340767334 534557355 /nfs/dbraw/zinc/55/73/55/534557355.db2.gz DUICLTLEYCIOJK-UHFFFAOYSA-N 1 2 246.314 2.363 20 30 BEEDLO C=CCCC1(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000355792715 534633026 /nfs/dbraw/zinc/63/30/26/534633026.db2.gz JLOBNOBWZCFFKK-UHFFFAOYSA-N 1 2 230.311 2.497 20 30 BEEDLO C=C[C@H](C)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000301926035 534671742 /nfs/dbraw/zinc/67/17/42/534671742.db2.gz GVSNZZZBZCEACP-VIFPVBQESA-N 1 2 235.335 2.047 20 30 BEEDLO C=C[C@H](C)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000301926035 534671745 /nfs/dbraw/zinc/67/17/45/534671745.db2.gz GVSNZZZBZCEACP-VIFPVBQESA-N 1 2 235.335 2.047 20 30 BEEDLO C=CCCC[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000283258185 534710070 /nfs/dbraw/zinc/71/00/70/534710070.db2.gz VUGDALUTCMLLKH-UHFFFAOYSA-N 1 2 236.363 2.431 20 30 BEEDLO C=CCCC[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000283258185 534710082 /nfs/dbraw/zinc/71/00/82/534710082.db2.gz VUGDALUTCMLLKH-UHFFFAOYSA-N 1 2 236.363 2.431 20 30 BEEDLO C#CC[N@@H+](C)Cc1oc(CCC)nc1C ZINC000491668777 526830168 /nfs/dbraw/zinc/83/01/68/526830168.db2.gz BRKRMLLBUNVXQI-UHFFFAOYSA-N 1 2 206.289 2.001 20 30 BEEDLO C#CC[N@H+](C)Cc1oc(CCC)nc1C ZINC000491668777 526830171 /nfs/dbraw/zinc/83/01/71/526830171.db2.gz BRKRMLLBUNVXQI-UHFFFAOYSA-N 1 2 206.289 2.001 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(CC)cn1 ZINC000491155506 526864353 /nfs/dbraw/zinc/86/43/53/526864353.db2.gz RWJFAFSTPJGYAP-UHFFFAOYSA-N 1 2 226.323 2.103 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(CC)cn1 ZINC000491155506 526864356 /nfs/dbraw/zinc/86/43/56/526864356.db2.gz RWJFAFSTPJGYAP-UHFFFAOYSA-N 1 2 226.323 2.103 20 30 BEEDLO C#CC[N@@H+](Cc1cn(C(C)C)nn1)C1CCCC1 ZINC000491351102 526912374 /nfs/dbraw/zinc/91/23/74/526912374.db2.gz ROSBOKSUSBNKNR-UHFFFAOYSA-N 1 2 246.358 2.237 20 30 BEEDLO C#CC[N@H+](Cc1cn(C(C)C)nn1)C1CCCC1 ZINC000491351102 526912377 /nfs/dbraw/zinc/91/23/77/526912377.db2.gz ROSBOKSUSBNKNR-UHFFFAOYSA-N 1 2 246.358 2.237 20 30 BEEDLO C=CCC(C)(C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493861366 526998222 /nfs/dbraw/zinc/99/82/22/526998222.db2.gz XDCKRYRGYWJYSG-AATRIKPKSA-N 1 2 233.315 2.141 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cnc(Cl)s1 ZINC000307753783 527213777 /nfs/dbraw/zinc/21/37/77/527213777.db2.gz XCESWKNSYZWFBU-SSDOTTSWSA-N 1 2 214.721 2.250 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cnc(Cl)s1 ZINC000307753783 527213782 /nfs/dbraw/zinc/21/37/82/527213782.db2.gz XCESWKNSYZWFBU-SSDOTTSWSA-N 1 2 214.721 2.250 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cccc(F)c1C#N ZINC000491286717 527213922 /nfs/dbraw/zinc/21/39/22/527213922.db2.gz JGNBYWJCJJZZQR-SNVBAGLBSA-N 1 2 216.259 2.151 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000491286717 527213926 /nfs/dbraw/zinc/21/39/26/527213926.db2.gz JGNBYWJCJJZZQR-SNVBAGLBSA-N 1 2 216.259 2.151 20 30 BEEDLO CC[C@@H]([NH2+]CCC#N)c1nc(C)cs1 ZINC000298885395 535803273 /nfs/dbraw/zinc/80/32/73/535803273.db2.gz KPTYVBVHRYSDIB-SECBINFHSA-N 1 2 209.318 2.406 20 30 BEEDLO CCc1cccc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284582334 535887500 /nfs/dbraw/zinc/88/75/00/535887500.db2.gz XLUISOWMKIMFEI-CYBMUJFWSA-N 1 2 248.326 2.217 20 30 BEEDLO CC[C@H](CC#N)Nc1[nH+]cnc2[nH]ccc21 ZINC000273817772 536059060 /nfs/dbraw/zinc/05/90/60/536059060.db2.gz CGCCYHMUZDRNHT-MRVPVSSYSA-N 1 2 215.260 2.062 20 30 BEEDLO CCc1nc(C2([NH2+]CCCC#N)CCCC2)no1 ZINC000173689811 536127989 /nfs/dbraw/zinc/12/79/89/536127989.db2.gz VNPJZTFKKDBJTH-UHFFFAOYSA-N 1 2 248.330 2.295 20 30 BEEDLO C[N@@H+](CCC#N)CCOc1ccc(F)cc1 ZINC000267457459 536298839 /nfs/dbraw/zinc/29/88/39/536298839.db2.gz PDZLNZCFAQXVFS-UHFFFAOYSA-N 1 2 222.263 2.050 20 30 BEEDLO C[N@H+](CCC#N)CCOc1ccc(F)cc1 ZINC000267457459 536298841 /nfs/dbraw/zinc/29/88/41/536298841.db2.gz PDZLNZCFAQXVFS-UHFFFAOYSA-N 1 2 222.263 2.050 20 30 BEEDLO COC1CCC(C[N@@H+]2CC[C@](F)(C#N)C2)CC1 ZINC000893930141 583250490 /nfs/dbraw/zinc/25/04/90/583250490.db2.gz RNATUTQELOZMLZ-BPCQOVAHSA-N 1 2 240.322 2.129 20 30 BEEDLO COC1CCC(C[N@H+]2CC[C@](F)(C#N)C2)CC1 ZINC000893930141 583250493 /nfs/dbraw/zinc/25/04/93/583250493.db2.gz RNATUTQELOZMLZ-BPCQOVAHSA-N 1 2 240.322 2.129 20 30 BEEDLO COC1CCC(C[N@@H+]2CC[C@@](F)(C#N)C2)CC1 ZINC000893930142 583250500 /nfs/dbraw/zinc/25/05/00/583250500.db2.gz RNATUTQELOZMLZ-WXRRBKDZSA-N 1 2 240.322 2.129 20 30 BEEDLO COC1CCC(C[N@H+]2CC[C@@](F)(C#N)C2)CC1 ZINC000893930142 583250503 /nfs/dbraw/zinc/25/05/03/583250503.db2.gz RNATUTQELOZMLZ-WXRRBKDZSA-N 1 2 240.322 2.129 20 30 BEEDLO C=C(C)Cn1nc(C)c([C@H]2COCC[N@H+]2C)c1C ZINC000852963664 588714864 /nfs/dbraw/zinc/71/48/64/588714864.db2.gz WOSGFGWNQZFDHZ-CYBMUJFWSA-N 1 2 249.358 2.079 20 30 BEEDLO C=C(C)Cn1nc(C)c([C@H]2COCC[N@@H+]2C)c1C ZINC000852963664 588714865 /nfs/dbraw/zinc/71/48/65/588714865.db2.gz WOSGFGWNQZFDHZ-CYBMUJFWSA-N 1 2 249.358 2.079 20 30 BEEDLO Cc1[nH+]cc(C=NN[C@H](C)c2ccccc2)n1C ZINC000853293181 588731218 /nfs/dbraw/zinc/73/12/18/588731218.db2.gz ASXYQGXGFMWKES-LLVKDONJSA-N 1 2 242.326 2.413 20 30 BEEDLO CC(C)n1cc[nH+]c1CN=Nc1ccc(F)cn1 ZINC000853305164 588731552 /nfs/dbraw/zinc/73/15/52/588731552.db2.gz QUNUBQJWBOBUSO-UHFFFAOYSA-N 1 2 247.277 2.444 20 30 BEEDLO Cc1[nH+]cc(C=NOCCC(F)(F)F)n1C ZINC000853335589 588734431 /nfs/dbraw/zinc/73/44/31/588734431.db2.gz BSTVDEOUKXIHAG-UHFFFAOYSA-N 1 2 235.209 2.031 20 30 BEEDLO CC(C)c1nccnc1N=NC(C)c1c[nH]c[nH+]1 ZINC000853340653 588735273 /nfs/dbraw/zinc/73/52/73/588735273.db2.gz DSOLWNDFICFJDI-UHFFFAOYSA-N 1 2 244.302 2.159 20 30 BEEDLO CC(C)c1nccnc1N=NC(C)c1c[nH+]c[nH]1 ZINC000853340653 588735274 /nfs/dbraw/zinc/73/52/74/588735274.db2.gz DSOLWNDFICFJDI-UHFFFAOYSA-N 1 2 244.302 2.159 20 30 BEEDLO CC[C@@H](C)CON=Cc1c[nH+]c2n1CCC2 ZINC000853349636 588736606 /nfs/dbraw/zinc/73/66/06/588736606.db2.gz CYDNPCGEJFZDOF-SNVBAGLBSA-N 1 2 221.304 2.226 20 30 BEEDLO C=CC1CC[NH+](Cc2ncc(Cl)n2C)CC1 ZINC000111256955 588738096 /nfs/dbraw/zinc/73/80/96/588738096.db2.gz KIOROTKQNJUQBN-UHFFFAOYSA-N 1 2 239.750 2.472 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cn1ncc(Cl)c1C1CC1 ZINC000853509324 588746858 /nfs/dbraw/zinc/74/68/58/588746858.db2.gz SMHSDDGWRBGGTP-SECBINFHSA-N 1 2 237.734 2.325 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cn1ncc(Cl)c1C1CC1 ZINC000853509324 588746859 /nfs/dbraw/zinc/74/68/59/588746859.db2.gz SMHSDDGWRBGGTP-SECBINFHSA-N 1 2 237.734 2.325 20 30 BEEDLO C=CC[N@H+](Cn1cc(Cl)cn1)[C@@H](C)COC ZINC000853532540 588747752 /nfs/dbraw/zinc/74/77/52/588747752.db2.gz GNENDMALHDEAHL-JTQLQIEISA-N 1 2 243.738 2.017 20 30 BEEDLO C=CC[N@@H+](Cn1cc(Cl)cn1)[C@@H](C)COC ZINC000853532540 588747753 /nfs/dbraw/zinc/74/77/53/588747753.db2.gz GNENDMALHDEAHL-JTQLQIEISA-N 1 2 243.738 2.017 20 30 BEEDLO N#CCC1(CO[NH+]=C(N)c2ccccc2)CC1 ZINC000853636999 588751312 /nfs/dbraw/zinc/75/13/12/588751312.db2.gz NNMMXVRPWVIVFE-UHFFFAOYSA-N 1 2 229.283 2.227 20 30 BEEDLO C#C[C@@H](CO)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000853659476 588753244 /nfs/dbraw/zinc/75/32/44/588753244.db2.gz HTJFGCHDTODEDV-NSHDSACASA-N 1 2 247.342 2.129 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)CC ZINC000853839741 588765520 /nfs/dbraw/zinc/76/55/20/588765520.db2.gz QHYPLAUDHDFIST-GFCCVEGCSA-N 1 2 248.326 2.057 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111694510 588767364 /nfs/dbraw/zinc/76/73/64/588767364.db2.gz ALXLDEQMYFPQTK-VHSXEESVSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000111694510 588767365 /nfs/dbraw/zinc/76/73/65/588767365.db2.gz ALXLDEQMYFPQTK-VHSXEESVSA-N 1 2 203.713 2.238 20 30 BEEDLO C=CC[C@H]1CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000890551233 582471388 /nfs/dbraw/zinc/47/13/88/582471388.db2.gz YNFBONMNWDZHNP-RYUDHWBXSA-N 1 2 233.315 2.011 20 30 BEEDLO C=CCCCN(CC)C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000890810492 582572072 /nfs/dbraw/zinc/57/20/72/582572072.db2.gz WZKHWVVCYJTQOP-CMDGGOBGSA-N 1 2 247.342 2.248 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)[C@H](C)CO1 ZINC000891669863 582708189 /nfs/dbraw/zinc/70/81/89/582708189.db2.gz FVFPQXWALHVOQT-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)[C@H](C)CO1 ZINC000891669863 582708191 /nfs/dbraw/zinc/70/81/91/582708191.db2.gz FVFPQXWALHVOQT-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)[C@@H](C)CO1 ZINC000891669865 582708840 /nfs/dbraw/zinc/70/88/40/582708840.db2.gz FVFPQXWALHVOQT-VHSXEESVSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)[C@@H](C)CO1 ZINC000891669865 582708843 /nfs/dbraw/zinc/70/88/43/582708843.db2.gz FVFPQXWALHVOQT-VHSXEESVSA-N 1 2 236.340 2.229 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1c2c(nn1C)CCC2 ZINC000891693171 582710775 /nfs/dbraw/zinc/71/07/75/582710775.db2.gz BWFLZKPQFVPXAJ-UHFFFAOYSA-N 1 2 246.358 2.033 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1c2c(nn1C)CCC2 ZINC000891693171 582710776 /nfs/dbraw/zinc/71/07/76/582710776.db2.gz BWFLZKPQFVPXAJ-UHFFFAOYSA-N 1 2 246.358 2.033 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)C[C@H]1C[C@]1(C)Br ZINC000891716067 582713193 /nfs/dbraw/zinc/71/31/93/582713193.db2.gz KSQZROZZMCYSEK-BBBLOLIVSA-N 1 2 245.164 2.251 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)C[C@H]1C[C@]1(C)Br ZINC000891716067 582713194 /nfs/dbraw/zinc/71/31/94/582713194.db2.gz KSQZROZZMCYSEK-BBBLOLIVSA-N 1 2 245.164 2.251 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnn(C2CCC2)c1 ZINC000891716288 582713306 /nfs/dbraw/zinc/71/33/06/582713306.db2.gz NLMUFEPAEWMYII-NSHDSACASA-N 1 2 232.331 2.200 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnn(C2CCC2)c1 ZINC000891716288 582713310 /nfs/dbraw/zinc/71/33/10/582713310.db2.gz NLMUFEPAEWMYII-NSHDSACASA-N 1 2 232.331 2.200 20 30 BEEDLO CC[N@H+](CC#N)CC1CCC(OC)CC1 ZINC000891779252 582718917 /nfs/dbraw/zinc/71/89/17/582718917.db2.gz WLQJLTLJEOWKFF-UHFFFAOYSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[N@@H+](CC#N)CC1CCC(OC)CC1 ZINC000891779252 582718919 /nfs/dbraw/zinc/71/89/19/582718919.db2.gz WLQJLTLJEOWKFF-UHFFFAOYSA-N 1 2 210.321 2.037 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@H](C)CC#N)cnc1F ZINC000891933748 582740030 /nfs/dbraw/zinc/74/00/30/582740030.db2.gz MUPBCKMUCHOVFB-SNVBAGLBSA-N 1 2 221.279 2.263 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@H](C)CC#N)cnc1F ZINC000891933748 582740031 /nfs/dbraw/zinc/74/00/31/582740031.db2.gz MUPBCKMUCHOVFB-SNVBAGLBSA-N 1 2 221.279 2.263 20 30 BEEDLO COc1ccc(C[N@H+](CCC#N)CC2CC2)o1 ZINC000891937749 582741387 /nfs/dbraw/zinc/74/13/87/582741387.db2.gz RDBPDVVPHUVCPU-UHFFFAOYSA-N 1 2 234.299 2.414 20 30 BEEDLO COc1ccc(C[N@@H+](CCC#N)CC2CC2)o1 ZINC000891937749 582741389 /nfs/dbraw/zinc/74/13/89/582741389.db2.gz RDBPDVVPHUVCPU-UHFFFAOYSA-N 1 2 234.299 2.414 20 30 BEEDLO C=CC1(OC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000893359377 583122970 /nfs/dbraw/zinc/12/29/70/583122970.db2.gz RPOLUPJXVPDCIJ-UHFFFAOYSA-N 1 2 246.310 2.024 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)o1 ZINC000893604962 583171917 /nfs/dbraw/zinc/17/19/17/583171917.db2.gz BIZSSOSGBGRYCG-VIFPVBQESA-N 1 2 208.261 2.070 20 30 BEEDLO Cc1noc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)n1 ZINC000893972615 583264489 /nfs/dbraw/zinc/26/44/89/583264489.db2.gz LAYDBPYJJJZGND-IUCAKERBSA-N 1 2 236.319 2.357 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cc(F)cc(F)c1O ZINC000894035153 583279224 /nfs/dbraw/zinc/27/92/24/583279224.db2.gz VWOBAJIHLVJVOJ-UHFFFAOYSA-N 1 2 249.260 2.129 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cc(F)cc(F)c1O ZINC000894035153 583279225 /nfs/dbraw/zinc/27/92/25/583279225.db2.gz VWOBAJIHLVJVOJ-UHFFFAOYSA-N 1 2 249.260 2.129 20 30 BEEDLO CNc1cc(N[C@H]2CC[C@@H](CC#N)C2)[nH+]cn1 ZINC000894042136 583285157 /nfs/dbraw/zinc/28/51/57/583285157.db2.gz JJKRNENWERQRRM-UWVGGRQHSA-N 1 2 231.303 2.013 20 30 BEEDLO C[C@@H](O)c1cccc(N2CCC[C@H](CC#N)C2)[nH+]1 ZINC000894487563 583471749 /nfs/dbraw/zinc/47/17/49/583471749.db2.gz UUUWHBQTNIVCHO-VXGBXAGGSA-N 1 2 245.326 2.265 20 30 BEEDLO C=CC[C@H]1CCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000894523328 583477871 /nfs/dbraw/zinc/47/78/71/583477871.db2.gz WCVBZUPEWOUXLB-LBPRGKRZSA-N 1 2 246.358 2.335 20 30 BEEDLO C=CC[C@H]1CCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000894523328 583477873 /nfs/dbraw/zinc/47/78/73/583477873.db2.gz WCVBZUPEWOUXLB-LBPRGKRZSA-N 1 2 246.358 2.335 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1nc(C(C)C)c[nH]1 ZINC000894547614 583482793 /nfs/dbraw/zinc/48/27/93/583482793.db2.gz HCJCUJZPWOWMMK-UHFFFAOYSA-N 1 2 237.347 2.168 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1nc(C(C)C)c[nH]1 ZINC000894547614 583482794 /nfs/dbraw/zinc/48/27/94/583482794.db2.gz HCJCUJZPWOWMMK-UHFFFAOYSA-N 1 2 237.347 2.168 20 30 BEEDLO C=C[C@H](CO)Nc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000894622728 583496479 /nfs/dbraw/zinc/49/64/79/583496479.db2.gz BACVLTZHBUQTCY-LLVKDONJSA-N 1 2 245.326 2.190 20 30 BEEDLO COCCCC1(C[NH+]2CC(C)(C#N)C2)CCC1 ZINC000894822428 583525575 /nfs/dbraw/zinc/52/55/75/583525575.db2.gz QZVVDLXZNWDQFC-UHFFFAOYSA-N 1 2 236.359 2.429 20 30 BEEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)C(=O)OC ZINC000894985674 583564545 /nfs/dbraw/zinc/56/45/45/583564545.db2.gz MMKCRADKGDGQHJ-AGIUHOORSA-N 1 2 237.343 2.110 20 30 BEEDLO Cc1ncoc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000895188998 583619608 /nfs/dbraw/zinc/61/96/08/583619608.db2.gz QUGMFLVMBURKRS-UHFFFAOYSA-N 1 2 239.278 2.371 20 30 BEEDLO Cc1ncoc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000895188998 583619610 /nfs/dbraw/zinc/61/96/10/583619610.db2.gz QUGMFLVMBURKRS-UHFFFAOYSA-N 1 2 239.278 2.371 20 30 BEEDLO C#CC[C@H]1CCN(c2cc(CC)[nH+]c(CC)n2)C1 ZINC000895191381 583621667 /nfs/dbraw/zinc/62/16/67/583621667.db2.gz PICMUGXNBCGVBB-LBPRGKRZSA-N 1 2 243.354 2.451 20 30 BEEDLO C#CC[C@@H]1CCN(c2cc(CC)[nH+]c(CC)n2)C1 ZINC000895191380 583621951 /nfs/dbraw/zinc/62/19/51/583621951.db2.gz PICMUGXNBCGVBB-GFCCVEGCSA-N 1 2 243.354 2.451 20 30 BEEDLO C=CC(C)(C)NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000895213859 583628070 /nfs/dbraw/zinc/62/80/70/583628070.db2.gz FARCBURELZOBKT-ZJUUUORDSA-N 1 2 248.330 2.153 20 30 BEEDLO N#CC[C@@H]1CCC[N@H+](Cc2nccn2C2CC2)C1 ZINC000895314347 583648096 /nfs/dbraw/zinc/64/80/96/583648096.db2.gz SWYXJKOQEUVLFB-LBPRGKRZSA-N 1 2 244.342 2.344 20 30 BEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000895314347 583648097 /nfs/dbraw/zinc/64/80/97/583648097.db2.gz SWYXJKOQEUVLFB-LBPRGKRZSA-N 1 2 244.342 2.344 20 30 BEEDLO Cc1cc(F)ncc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000895450181 583676127 /nfs/dbraw/zinc/67/61/27/583676127.db2.gz BZPCQARWQBWEOH-ZDUSSCGKSA-N 1 2 233.290 2.265 20 30 BEEDLO Cc1cc(F)ncc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000895450181 583676128 /nfs/dbraw/zinc/67/61/28/583676128.db2.gz BZPCQARWQBWEOH-ZDUSSCGKSA-N 1 2 233.290 2.265 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cnc1F ZINC000895451048 583676599 /nfs/dbraw/zinc/67/65/99/583676599.db2.gz SCUURLNHQNTNBZ-CYBMUJFWSA-N 1 2 233.290 2.265 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)cnc1F ZINC000895451048 583676600 /nfs/dbraw/zinc/67/66/00/583676600.db2.gz SCUURLNHQNTNBZ-CYBMUJFWSA-N 1 2 233.290 2.265 20 30 BEEDLO Cn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C2CC2)n1 ZINC000895451365 583676818 /nfs/dbraw/zinc/67/68/18/583676818.db2.gz XALXILMEDKGRQT-AWEZNQCLSA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(C2CC2)n1 ZINC000895451365 583676821 /nfs/dbraw/zinc/67/68/21/583676821.db2.gz XALXILMEDKGRQT-AWEZNQCLSA-N 1 2 244.342 2.033 20 30 BEEDLO C#CC[N@@H+](Cc1cnn(C(C)C)c1)C1CSC1 ZINC000895814450 583733944 /nfs/dbraw/zinc/73/39/44/583733944.db2.gz RERMKJJPAVLIQG-UHFFFAOYSA-N 1 2 249.383 2.015 20 30 BEEDLO C#CC[N@H+](Cc1cnn(C(C)C)c1)C1CSC1 ZINC000895814450 583733946 /nfs/dbraw/zinc/73/39/46/583733946.db2.gz RERMKJJPAVLIQG-UHFFFAOYSA-N 1 2 249.383 2.015 20 30 BEEDLO C=C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000896180675 583780346 /nfs/dbraw/zinc/78/03/46/583780346.db2.gz DJEMCVNIIUODQY-UHFFFAOYSA-N 1 2 247.342 2.105 20 30 BEEDLO C=C1CCC(C(=O)NCc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000896905619 583851350 /nfs/dbraw/zinc/85/13/50/583851350.db2.gz IWGCTCZEKHZINR-UHFFFAOYSA-N 1 2 247.342 2.389 20 30 BEEDLO C#C[C@H]1CCCCN1c1cc[nH+]cc1F ZINC000897361047 583938970 /nfs/dbraw/zinc/93/89/70/583938970.db2.gz XMDHNGFTPBMKOV-JTQLQIEISA-N 1 2 204.248 2.213 20 30 BEEDLO Cc1coc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000897626093 584032233 /nfs/dbraw/zinc/03/22/33/584032233.db2.gz MFLWNQAQQGTECQ-UHFFFAOYSA-N 1 2 233.296 2.206 20 30 BEEDLO CCC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C(=O)OC ZINC000897833649 584052447 /nfs/dbraw/zinc/05/24/47/584052447.db2.gz SBTHOYODPRIVNN-WDEREUQCSA-N 1 2 240.347 2.246 20 30 BEEDLO CC[C@@H](CCO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866272080 584117128 /nfs/dbraw/zinc/11/71/28/584117128.db2.gz RZEUAJHASQSBIY-PWSUYJOCSA-N 1 2 248.326 2.075 20 30 BEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000898809988 584159949 /nfs/dbraw/zinc/15/99/49/584159949.db2.gz GLTNKFXTXXNLMB-SNVBAGLBSA-N 1 2 233.315 2.046 20 30 BEEDLO Cc1cc(CC/[NH+]=C/c2ccccc2O)nn1C ZINC000899225988 584184702 /nfs/dbraw/zinc/18/47/02/584184702.db2.gz ILMWALVPFZYQOV-XNTDXEJSSA-N 1 2 243.310 2.096 20 30 BEEDLO C=C1C[NH+](CCC(=O)Nc2ccccc2F)C1 ZINC000899899818 584248085 /nfs/dbraw/zinc/24/80/85/584248085.db2.gz BWIQXNXOIYUYMQ-UHFFFAOYSA-N 1 2 234.274 2.026 20 30 BEEDLO C=C1C[NH+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000899900774 584249459 /nfs/dbraw/zinc/24/94/59/584249459.db2.gz VDFVTZPGVDRONG-GFCCVEGCSA-N 1 2 229.279 2.338 20 30 BEEDLO C=CCN(CC=C)C(=O)c1ccc(C)[nH+]c1NC ZINC000899914601 584254399 /nfs/dbraw/zinc/25/43/99/584254399.db2.gz AUYMTQXTFFOYIH-UHFFFAOYSA-N 1 2 245.326 2.246 20 30 BEEDLO CC(C)(C)CC=[NH+]n1nnc2c1CCCC2 ZINC000901331176 584424966 /nfs/dbraw/zinc/42/49/66/584424966.db2.gz LOMJMYRETRITSN-UHFFFAOYSA-N 1 2 220.320 2.427 20 30 BEEDLO C[C@@H]1CC[C@H](C=[NH+]n2nnc3c2CCCC3)C1 ZINC000901331438 584425182 /nfs/dbraw/zinc/42/51/82/584425182.db2.gz NZDHVDWIJAROJW-MNOVXSKESA-N 1 2 232.331 2.427 20 30 BEEDLO CC(C)(C)C=[NH+]n1nnc2c1CCCC2 ZINC000901330989 584425320 /nfs/dbraw/zinc/42/53/20/584425320.db2.gz HZBGXJYMNPNDFS-UHFFFAOYSA-N 1 2 206.293 2.037 20 30 BEEDLO CCn1cc(C(=O)/C=C/c2c[nH+]cn2CC)cn1 ZINC000901464463 584451293 /nfs/dbraw/zinc/45/12/93/584451293.db2.gz IURVVSNAUJGBLT-AATRIKPKSA-N 1 2 244.298 2.016 20 30 BEEDLO C=C[C@H]([NH2+]CC[C@H]1CCC(F)(F)C1)C(=O)OC ZINC000901674056 584475654 /nfs/dbraw/zinc/47/56/54/584475654.db2.gz QMVMGEDMTLAYSO-ZJUUUORDSA-N 1 2 247.285 2.129 20 30 BEEDLO Cc1cc([C@H](C)[NH2+]CC(C)(C)C#N)no1 ZINC000903101329 584727049 /nfs/dbraw/zinc/72/70/49/584727049.db2.gz DVDBAEUHIXQNAG-VIFPVBQESA-N 1 2 207.277 2.183 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cn2ccccc2n1 ZINC000903105953 584727943 /nfs/dbraw/zinc/72/79/43/584727943.db2.gz JJBFUTKQUSFHAI-NSHDSACASA-N 1 2 240.310 2.289 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1ccnc(F)c1 ZINC000859152503 589010307 /nfs/dbraw/zinc/01/03/07/589010307.db2.gz BCQIMLHRKKALFI-UHFFFAOYSA-N 1 2 221.279 2.345 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1ccnc(F)c1 ZINC000859152503 589010308 /nfs/dbraw/zinc/01/03/08/589010308.db2.gz BCQIMLHRKKALFI-UHFFFAOYSA-N 1 2 221.279 2.345 20 30 BEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(O)c(F)c1 ZINC000731159949 584923005 /nfs/dbraw/zinc/92/30/05/584923005.db2.gz ZBVMYDCOYJMLQF-ONEGZZNKSA-N 1 2 232.214 2.151 20 30 BEEDLO C=C(Cl)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000731909954 584930988 /nfs/dbraw/zinc/93/09/88/584930988.db2.gz XYGCNOAQUWVTRP-UHFFFAOYSA-N 1 2 236.658 2.244 20 30 BEEDLO C#CC[N@@H+](Cc1cnn(CC)n1)C1CCCCC1 ZINC000838807629 585070732 /nfs/dbraw/zinc/07/07/32/585070732.db2.gz RSKGRUQFZPXXIB-UHFFFAOYSA-N 1 2 246.358 2.066 20 30 BEEDLO C#CC[N@H+](Cc1cnn(CC)n1)C1CCCCC1 ZINC000838807629 585070733 /nfs/dbraw/zinc/07/07/33/585070733.db2.gz RSKGRUQFZPXXIB-UHFFFAOYSA-N 1 2 246.358 2.066 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccc(C)nc1Cl ZINC000839029303 585088293 /nfs/dbraw/zinc/08/82/93/585088293.db2.gz GCIULNCANRPQNX-UHFFFAOYSA-N 1 2 222.719 2.499 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccc(C)nc1Cl ZINC000839029303 585088294 /nfs/dbraw/zinc/08/82/94/585088294.db2.gz GCIULNCANRPQNX-UHFFFAOYSA-N 1 2 222.719 2.499 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](C)CCCCCC)C(=O)OC ZINC000839167648 585095251 /nfs/dbraw/zinc/09/52/51/585095251.db2.gz FWGOUIPKVNSBCD-OLZOCXBDSA-N 1 2 239.359 2.500 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](C)[C@@H](C)CCCC)C(=O)OC ZINC000839168485 585095724 /nfs/dbraw/zinc/09/57/24/585095724.db2.gz MCUGOPKJGVHPBV-AVGNSLFASA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](CC)C[C@H](C)CC)C(=O)OC ZINC000839168829 585095770 /nfs/dbraw/zinc/09/57/70/585095770.db2.gz NDNGVKJPDFGWOH-AGIUHOORSA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C(=O)OC ZINC000839167814 585095796 /nfs/dbraw/zinc/09/57/96/585095796.db2.gz GPYUVYBZUPYWKF-NWDGAFQWSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C(=O)OC ZINC000839170337 585096128 /nfs/dbraw/zinc/09/61/28/585096128.db2.gz ZVCJHYFADOHNKH-IHRRRGAJSA-N 1 2 249.354 2.110 20 30 BEEDLO C#CC[C@@H]([NH2+]C1CCC(CC)CC1)C(=O)OC ZINC000839169119 585096168 /nfs/dbraw/zinc/09/61/68/585096168.db2.gz PBPUGGSRFXEEJD-WXRRBKDZSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](C)CCC=C(C)C)C(=O)OC ZINC000839169935 585096248 /nfs/dbraw/zinc/09/62/48/585096248.db2.gz VSRMVYYUYWYXOJ-OLZOCXBDSA-N 1 2 237.343 2.276 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)OC ZINC000839170480 585096428 /nfs/dbraw/zinc/09/64/28/585096428.db2.gz ZYGUKRWZJJFOSL-AAEUAGOBSA-N 1 2 237.343 2.110 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000839189953 585097080 /nfs/dbraw/zinc/09/70/80/585097080.db2.gz ZRNDGIQMCUXHSR-MRXNPFEDSA-N 1 2 241.334 2.398 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000839189953 585097081 /nfs/dbraw/zinc/09/70/81/585097081.db2.gz ZRNDGIQMCUXHSR-MRXNPFEDSA-N 1 2 241.334 2.398 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccccc1CC ZINC000839199777 585099205 /nfs/dbraw/zinc/09/92/05/585099205.db2.gz UKRPJYARUMPICB-HNNXBMFYSA-N 1 2 229.323 2.083 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccccc1CC ZINC000839199777 585099206 /nfs/dbraw/zinc/09/92/06/585099206.db2.gz UKRPJYARUMPICB-HNNXBMFYSA-N 1 2 229.323 2.083 20 30 BEEDLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)C#N)c1ccccc1 ZINC000741150537 585110511 /nfs/dbraw/zinc/11/05/11/585110511.db2.gz IFSCNTWEJNSPMO-WCQYABFASA-N 1 2 246.310 2.135 20 30 BEEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)C#N)c1ccccc1 ZINC000741150537 585110512 /nfs/dbraw/zinc/11/05/12/585110512.db2.gz IFSCNTWEJNSPMO-WCQYABFASA-N 1 2 246.310 2.135 20 30 BEEDLO N#Cc1ccc2c(c1)CC/C(=C\c1[nH]cc[nH+]1)C2=O ZINC000742437136 585126246 /nfs/dbraw/zinc/12/62/46/585126246.db2.gz RAHLLHLBXAZYKW-XYOKQWHBSA-N 1 2 249.273 2.494 20 30 BEEDLO Fc1cccc(N=NCc2[nH]cc[nH+]2)c1F ZINC000743443857 585137320 /nfs/dbraw/zinc/13/73/20/585137320.db2.gz ULWDOERWLYCGBV-UHFFFAOYSA-N 1 2 222.198 2.134 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccccc1F ZINC000743852484 585141019 /nfs/dbraw/zinc/14/10/19/585141019.db2.gz RTVYWAFPNWFCNB-UHFFFAOYSA-N 1 2 215.271 2.284 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccccc1F ZINC000743852484 585141020 /nfs/dbraw/zinc/14/10/20/585141020.db2.gz RTVYWAFPNWFCNB-UHFFFAOYSA-N 1 2 215.271 2.284 20 30 BEEDLO C=CCCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000748310213 585190412 /nfs/dbraw/zinc/19/04/12/585190412.db2.gz LUFDPKAQQNYSIY-ZDUSSCGKSA-N 1 2 247.342 2.403 20 30 BEEDLO C#C[C@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000752931830 585251299 /nfs/dbraw/zinc/25/12/99/585251299.db2.gz YJGKXMHRPLBMCJ-LLVKDONJSA-N 1 2 229.327 2.488 20 30 BEEDLO CC[N@H+](CCC#N)CCC(=O)C(C)(C)C ZINC000753732339 585267371 /nfs/dbraw/zinc/26/73/71/585267371.db2.gz LLRFTGSCEASHLH-UHFFFAOYSA-N 1 2 210.321 2.227 20 30 BEEDLO CC[N@@H+](CCC#N)CCC(=O)C(C)(C)C ZINC000753732339 585267372 /nfs/dbraw/zinc/26/73/72/585267372.db2.gz LLRFTGSCEASHLH-UHFFFAOYSA-N 1 2 210.321 2.227 20 30 BEEDLO NC(=[NH+]OCC1CCC1)c1ccc(F)cc1 ZINC000753821748 585270354 /nfs/dbraw/zinc/27/03/54/585270354.db2.gz LSOOSAZGCFWECP-UHFFFAOYSA-N 1 2 222.263 2.263 20 30 BEEDLO CCC(CC)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753932985 585272155 /nfs/dbraw/zinc/27/21/55/585272155.db2.gz AEYCSRMWGWCPSD-GHMZBOCLSA-N 1 2 222.336 2.022 20 30 BEEDLO C(N=NC1=[NH+][C@H]2CCCC[C@@H]2N1)C1CCCCC1 ZINC000753937802 585272533 /nfs/dbraw/zinc/27/25/33/585272533.db2.gz HBUJBOHGTHZVAC-STQMWFEESA-N 1 2 248.374 2.413 20 30 BEEDLO CC(N=NC1=[NH+][C@H]2CCCC[C@H]2N1)C1CCCC1 ZINC000753938582 585272637 /nfs/dbraw/zinc/27/26/37/585272637.db2.gz KFKUAHOWQPLDPV-BETUJISGSA-N 1 2 248.374 2.413 20 30 BEEDLO C#CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000753997792 585274799 /nfs/dbraw/zinc/27/47/99/585274799.db2.gz HDDBZQXEYHBEBX-UHFFFAOYSA-N 1 2 239.278 2.402 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNCCc1ccccc1F ZINC000755775718 585306883 /nfs/dbraw/zinc/30/68/83/585306883.db2.gz TTXSZKDAHCSWHK-UHFFFAOYSA-N 1 2 246.289 2.023 20 30 BEEDLO Cn1c[nH+]cc1C=NNCc1ccc(Cl)cc1 ZINC000755774125 585307009 /nfs/dbraw/zinc/30/70/09/585307009.db2.gz FDCMNUCZHDUJJH-UHFFFAOYSA-N 1 2 248.717 2.197 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](CO)c1ccccc1OC ZINC000839548963 585330181 /nfs/dbraw/zinc/33/01/81/585330181.db2.gz UQCVAXPDWYYTMA-LLVKDONJSA-N 1 2 241.718 2.071 20 30 BEEDLO C=CC[C@H]([NH2+]Cc1cocn1)c1ccncc1 ZINC000758339810 585353881 /nfs/dbraw/zinc/35/38/81/585353881.db2.gz ADHPDVJVFUKOHL-ZDUSSCGKSA-N 1 2 229.283 2.477 20 30 BEEDLO C#CCC[NH+]1CCN(CCCC(C)C)CC1 ZINC000759398856 585372200 /nfs/dbraw/zinc/37/22/00/585372200.db2.gz JFGKPQXRMDIYHQ-UHFFFAOYSA-N 1 2 222.376 2.064 20 30 BEEDLO COc1cc(F)ccc1NN=Cc1c[nH+]cn1C ZINC000761884835 585422115 /nfs/dbraw/zinc/42/21/15/585422115.db2.gz LTSROJNIVLIJQB-UHFFFAOYSA-N 1 2 248.261 2.014 20 30 BEEDLO Nc1[nH+]cccc1CN=Nc1ncccc1Cl ZINC000764684253 585470906 /nfs/dbraw/zinc/47/09/06/585470906.db2.gz WRAIMMJAPFQHFJ-UHFFFAOYSA-N 1 2 247.689 2.158 20 30 BEEDLO CC#CCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000764934768 585477589 /nfs/dbraw/zinc/47/75/89/585477589.db2.gz JMMQFRVMRDRMRF-UHFFFAOYSA-N 1 2 236.702 2.390 20 30 BEEDLO CC#CCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000766059773 585497108 /nfs/dbraw/zinc/49/71/08/585497108.db2.gz OVKZNKVDOIGJOG-UHFFFAOYSA-N 1 2 222.675 2.000 20 30 BEEDLO Oc1cccc(/C=[NH+]\CCc2cscn2)c1O ZINC000767866455 585526911 /nfs/dbraw/zinc/52/69/11/585526911.db2.gz SXQRICZITJBPKN-MLPAPPSSSA-N 1 2 248.307 2.216 20 30 BEEDLO CCn1nccc1C[N@H+](CCC#N)CC(C)C ZINC000768155333 585533201 /nfs/dbraw/zinc/53/32/01/585533201.db2.gz ZBHBPYXEZVMYPR-UHFFFAOYSA-N 1 2 234.347 2.275 20 30 BEEDLO CCn1nccc1C[N@@H+](CCC#N)CC(C)C ZINC000768155333 585533202 /nfs/dbraw/zinc/53/32/02/585533202.db2.gz ZBHBPYXEZVMYPR-UHFFFAOYSA-N 1 2 234.347 2.275 20 30 BEEDLO C#CC[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC000769107418 585549145 /nfs/dbraw/zinc/54/91/45/585549145.db2.gz VJCSJHJBXYGJPT-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO C#CC[N@H+](CC)Cc1coc(C2CC2)n1 ZINC000769107418 585549146 /nfs/dbraw/zinc/54/91/46/585549146.db2.gz VJCSJHJBXYGJPT-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000769977611 585568318 /nfs/dbraw/zinc/56/83/18/585568318.db2.gz MPCUBDKUZYVKPS-JTQLQIEISA-N 1 2 206.289 2.252 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000769977611 585568319 /nfs/dbraw/zinc/56/83/19/585568319.db2.gz MPCUBDKUZYVKPS-JTQLQIEISA-N 1 2 206.289 2.252 20 30 BEEDLO C#CCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000771668882 585599005 /nfs/dbraw/zinc/59/90/05/585599005.db2.gz VJKZVVZFAKNOJB-UHFFFAOYSA-N 1 2 239.200 2.473 20 30 BEEDLO Cc1ccc(CCCN=Nc2cccnn2)c[nH+]1 ZINC000774387968 585657175 /nfs/dbraw/zinc/65/71/75/585657175.db2.gz YQPSQPPJMOUEFC-UHFFFAOYSA-N 1 2 241.298 2.211 20 30 BEEDLO Cc1ccc(CCC=Nn2ccccc2=O)c[nH+]1 ZINC000774400826 585657622 /nfs/dbraw/zinc/65/76/22/585657622.db2.gz YQIKDBFYJOFQII-UHFFFAOYSA-N 1 2 241.294 2.018 20 30 BEEDLO CCOCCON=Cc1c[nH+]c2ccc(C)cn12 ZINC000774416271 585658183 /nfs/dbraw/zinc/65/81/83/585658183.db2.gz BLDDQLKIPQIQOJ-UHFFFAOYSA-N 1 2 247.298 2.030 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1ncc(C(C)C)o1)[C@H]1CCCO1 ZINC000775795182 585685129 /nfs/dbraw/zinc/68/51/29/585685129.db2.gz UWKJNCWGCGVNAV-VXGBXAGGSA-N 1 2 248.326 2.068 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1ncc(C(C)C)o1)[C@@H]1CCCO1 ZINC000775795179 585685276 /nfs/dbraw/zinc/68/52/76/585685276.db2.gz UWKJNCWGCGVNAV-NEPJUHHUSA-N 1 2 248.326 2.068 20 30 BEEDLO C[N@H+](Cc1ccc(Cl)nc1)CC1(C#N)CC1 ZINC000775972400 585688517 /nfs/dbraw/zinc/68/85/17/585688517.db2.gz KJPVVYZKFWIQOE-UHFFFAOYSA-N 1 2 235.718 2.471 20 30 BEEDLO C[N@@H+](Cc1ccc(Cl)nc1)CC1(C#N)CC1 ZINC000775972400 585688518 /nfs/dbraw/zinc/68/85/18/585688518.db2.gz KJPVVYZKFWIQOE-UHFFFAOYSA-N 1 2 235.718 2.471 20 30 BEEDLO CCOc1ccc(C#N)cc1NCc1[nH]cc[nH+]1 ZINC000779588592 585756551 /nfs/dbraw/zinc/75/65/51/585756551.db2.gz BPGQRPTYEBDWJH-UHFFFAOYSA-N 1 2 242.282 2.292 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NN[C@H]1CCCC1(C)C ZINC000782299517 585814397 /nfs/dbraw/zinc/81/43/97/585814397.db2.gz HGPLAAPQUJJCBK-NSHDSACASA-N 1 2 220.320 2.220 20 30 BEEDLO CC#CCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783146458 585828400 /nfs/dbraw/zinc/82/84/00/585828400.db2.gz BVEJJOXHPRUQST-UHFFFAOYSA-N 1 2 234.274 2.280 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)OCCCn1cc[nH+]c1 ZINC000784872468 585867253 /nfs/dbraw/zinc/86/72/53/585867253.db2.gz FALAXUSDIMMGES-ZDUSSCGKSA-N 1 2 236.315 2.419 20 30 BEEDLO C=C(Cl)COC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785734096 585878818 /nfs/dbraw/zinc/87/88/18/585878818.db2.gz RFYOLAZBLBAXPX-AOOOYVTPSA-N 1 2 231.723 2.155 20 30 BEEDLO C=C(Cl)COC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785734096 585878819 /nfs/dbraw/zinc/87/88/19/585878819.db2.gz RFYOLAZBLBAXPX-AOOOYVTPSA-N 1 2 231.723 2.155 20 30 BEEDLO C=C(C)C[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000787693679 585913989 /nfs/dbraw/zinc/91/39/89/585913989.db2.gz NNNBPFBQWOIOKV-UHFFFAOYSA-N 1 2 237.730 2.419 20 30 BEEDLO Cc1ccc(C=NNc2[nH+]ccn2C)s1 ZINC000790299970 585962566 /nfs/dbraw/zinc/96/25/66/585962566.db2.gz NGBXTBVGNQUKEZ-UHFFFAOYSA-N 1 2 220.301 2.236 20 30 BEEDLO Cc1cc(C=NNc2[nH+]ccn2C)ccc1C#N ZINC000790299654 585962838 /nfs/dbraw/zinc/96/28/38/585962838.db2.gz GQUUJMGOSMIZKR-UHFFFAOYSA-N 1 2 239.282 2.046 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ncccc1Cl ZINC000859280126 589027106 /nfs/dbraw/zinc/02/71/06/589027106.db2.gz GFUPJOHTYQWCQW-SECBINFHSA-N 1 2 208.692 2.189 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncccc1Cl ZINC000859280126 589027108 /nfs/dbraw/zinc/02/71/08/589027108.db2.gz GFUPJOHTYQWCQW-SECBINFHSA-N 1 2 208.692 2.189 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792133537 585996471 /nfs/dbraw/zinc/99/64/71/585996471.db2.gz ROWWTPSUSTWZJO-JTQLQIEISA-N 1 2 234.299 2.309 20 30 BEEDLO C#CC[NH+](CC#C)Cc1c(F)cccc1CC ZINC000792825730 586005709 /nfs/dbraw/zinc/00/57/09/586005709.db2.gz ALJBEATVQSNTRP-UHFFFAOYSA-N 1 2 229.298 2.457 20 30 BEEDLO CC(C)O[C@H](C=[NH+]n1cnnc1)c1ccccc1 ZINC000792868441 586006211 /nfs/dbraw/zinc/00/62/11/586006211.db2.gz DRVLBIBKHHWRSI-CYBMUJFWSA-N 1 2 244.298 2.278 20 30 BEEDLO FC1(C=[NH+]n2cnnc2-c2ccccc2)CC1 ZINC000794488178 586040509 /nfs/dbraw/zinc/04/05/09/586040509.db2.gz KCCGFBWIISLHQS-UHFFFAOYSA-N 1 2 230.246 2.281 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)c1ccccc1C ZINC000794733993 586047682 /nfs/dbraw/zinc/04/76/82/586047682.db2.gz JGXKJTWCOLVHSV-OAHLLOKOSA-N 1 2 244.338 2.430 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)c1ccccc1C ZINC000794733993 586047683 /nfs/dbraw/zinc/04/76/83/586047683.db2.gz JGXKJTWCOLVHSV-OAHLLOKOSA-N 1 2 244.338 2.430 20 30 BEEDLO O=C1c2cc(O)ccc2CC/C1=C\c1[nH]cc[nH+]1 ZINC000794960130 586057595 /nfs/dbraw/zinc/05/75/95/586057595.db2.gz LQGGPRIRKDZXQG-JXMROGBWSA-N 1 2 240.262 2.328 20 30 BEEDLO O=C1c2cc(O)ccc2CC/C1=C/c1[nH]cc[nH+]1 ZINC000794960131 586058013 /nfs/dbraw/zinc/05/80/13/586058013.db2.gz LQGGPRIRKDZXQG-YFHOEESVSA-N 1 2 240.262 2.328 20 30 BEEDLO C=C(C)CCO[NH+]=C(N)Cc1cccnc1 ZINC000795213030 586072160 /nfs/dbraw/zinc/07/21/60/586072160.db2.gz SEQXWUAXQADWIK-UHFFFAOYSA-N 1 2 219.288 2.089 20 30 BEEDLO C=C(C)CCO[NH+]=C(N)COC(C)(C)C ZINC000795218371 586072305 /nfs/dbraw/zinc/07/23/05/586072305.db2.gz WOQUPRDPYKWNGH-UHFFFAOYSA-N 1 2 214.309 2.266 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ncc[nH]1 ZINC000796760438 586111687 /nfs/dbraw/zinc/11/16/87/586111687.db2.gz DPHVDMVVEXUQLY-SECBINFHSA-N 1 2 244.273 2.271 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2cccc(F)c2)c1 ZINC000798231044 586141175 /nfs/dbraw/zinc/14/11/75/586141175.db2.gz DJPSMGGKAKWZDG-AATRIKPKSA-N 1 2 230.242 2.455 20 30 BEEDLO Cn1c[nH+]c(/C=C2\Cc3ccccc3C2=O)c1 ZINC000798231620 586141184 /nfs/dbraw/zinc/14/11/84/586141184.db2.gz IQHWTFDLXZIMNH-YRNVUSSQSA-N 1 2 224.263 2.243 20 30 BEEDLO N#C[C@H]1CC[C@@H]([NH2+]c2ccc(OCCO)cc2)C1 ZINC000799724272 586194640 /nfs/dbraw/zinc/19/46/40/586194640.db2.gz JQXFAMDHHZOEQC-WCQYABFASA-N 1 2 246.310 2.162 20 30 BEEDLO COc1cccc(C=NNc2[nH+]ccn2C)c1F ZINC000799887012 586201183 /nfs/dbraw/zinc/20/11/83/586201183.db2.gz JQVCZAQNPLZZEA-UHFFFAOYSA-N 1 2 248.261 2.014 20 30 BEEDLO Cc1ncsc1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000800792547 586228823 /nfs/dbraw/zinc/22/88/23/586228823.db2.gz BAGCIZMWGNYDBH-ARJAWSKDSA-N 1 2 233.296 2.081 20 30 BEEDLO Cn1c[nH+]c(/C=C2\Cc3ccc(F)cc3C2=O)c1 ZINC000800794260 586229257 /nfs/dbraw/zinc/22/92/57/586229257.db2.gz AHRUFFPMMNDBNJ-BJMVGYQFSA-N 1 2 242.253 2.382 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccccc2C#N)c1 ZINC000800795655 586229509 /nfs/dbraw/zinc/22/95/09/586229509.db2.gz RDFPNNLGEJMHHE-VOTSOKGWSA-N 1 2 237.262 2.188 20 30 BEEDLO Cc1[nH+]c(C(C)N=Nc2ccc(F)cn2)cn1C ZINC000800813330 586231749 /nfs/dbraw/zinc/23/17/49/586231749.db2.gz UUDVNZHAJJCJRB-UHFFFAOYSA-N 1 2 247.277 2.099 20 30 BEEDLO CCC(CC)CNN=C(C)c1cn(C)c(C)[nH+]1 ZINC000800815911 586232341 /nfs/dbraw/zinc/23/23/41/586232341.db2.gz SRWXJONMWZGKDC-UHFFFAOYSA-N 1 2 236.363 2.478 20 30 BEEDLO C#CCCCCC(=O)OCCCc1[nH+]ccn1C ZINC000802787605 586314449 /nfs/dbraw/zinc/31/44/49/586314449.db2.gz HOEDSZHULAYJLC-UHFFFAOYSA-N 1 2 248.326 2.090 20 30 BEEDLO C=C(C)CCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000803405842 586352664 /nfs/dbraw/zinc/35/26/64/586352664.db2.gz JEOARYMYXCBKBC-UHFFFAOYSA-N 1 2 234.299 2.106 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2Cc3ccncc3C2)c1 ZINC000809565693 586507048 /nfs/dbraw/zinc/50/70/48/586507048.db2.gz OTWJTZIKCUGUQE-UHFFFAOYSA-N 1 2 235.290 2.469 20 30 BEEDLO N#Cc1cccc(C[N@H+]2Cc3ccncc3C2)c1 ZINC000809565693 586507049 /nfs/dbraw/zinc/50/70/49/586507049.db2.gz OTWJTZIKCUGUQE-UHFFFAOYSA-N 1 2 235.290 2.469 20 30 BEEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccon1)CC2 ZINC000810220606 586537464 /nfs/dbraw/zinc/53/74/64/586537464.db2.gz ASSCSRLFNZJHNK-CQSZACIVSA-N 1 2 239.278 2.323 20 30 BEEDLO CN(C)c1cc(CSCCC#N)cc[nH+]1 ZINC000840213646 586548731 /nfs/dbraw/zinc/54/87/31/586548731.db2.gz OTSMGEOLEWHCDS-UHFFFAOYSA-N 1 2 221.329 2.294 20 30 BEEDLO C=CC[N@@H+](CN1C(=O)C(C)(C)[C@H]1C1CC1)C1CC1 ZINC000811762611 586566671 /nfs/dbraw/zinc/56/66/71/586566671.db2.gz QIAAVHXJCHGNOF-CYBMUJFWSA-N 1 2 248.370 2.241 20 30 BEEDLO C=CC[N@H+](CN1C(=O)C(C)(C)[C@H]1C1CC1)C1CC1 ZINC000811762611 586566672 /nfs/dbraw/zinc/56/66/72/586566672.db2.gz QIAAVHXJCHGNOF-CYBMUJFWSA-N 1 2 248.370 2.241 20 30 BEEDLO CC(C)OCCON=Cc1cccc2[nH+]ccn21 ZINC000812238726 586571984 /nfs/dbraw/zinc/57/19/84/586571984.db2.gz DUEGAVOCEBKSBJ-UHFFFAOYSA-N 1 2 247.298 2.110 20 30 BEEDLO COCC(CC(C)(C)C)=[NH+]n1cccn1 ZINC000863163464 589266291 /nfs/dbraw/zinc/26/62/91/589266291.db2.gz DVWZTRWHHVINNI-UHFFFAOYSA-N 1 2 209.293 2.170 20 30 BEEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccns1 ZINC000860051429 589077050 /nfs/dbraw/zinc/07/70/50/589077050.db2.gz NOHPTWJUMZFAEF-UWVGGRQHSA-N 1 2 234.328 2.237 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccns1 ZINC000860060011 589078068 /nfs/dbraw/zinc/07/80/68/589078068.db2.gz RUYMSTVVEWGMRH-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819775806 586992725 /nfs/dbraw/zinc/99/27/25/586992725.db2.gz JLWMBFSBQLCSDX-RKDXNWHRSA-N 1 2 226.345 2.196 20 30 BEEDLO CCCCNN=Cc1c[nH+]cn1C(C)C ZINC000819806699 586996156 /nfs/dbraw/zinc/99/61/56/586996156.db2.gz XYCSUKMODCKOSA-UHFFFAOYSA-N 1 2 208.309 2.188 20 30 BEEDLO Cc1cc(N=NCc2c[nH+]cn2C(C)C)ncn1 ZINC000819807447 586996172 /nfs/dbraw/zinc/99/61/72/586996172.db2.gz GYAOZHADARRKBU-UHFFFAOYSA-N 1 2 244.302 2.008 20 30 BEEDLO Nc1ccc(/C=C2\Cc3ccccc3C2=O)c[nH+]1 ZINC000821027529 587089354 /nfs/dbraw/zinc/08/93/54/587089354.db2.gz HZNHYDDFGUBJDO-KPKJPENVSA-N 1 2 236.274 2.486 20 30 BEEDLO N#Cc1ccc(C(=O)/C=C/c2ccc(N)[nH+]c2)cc1 ZINC000821023166 587089561 /nfs/dbraw/zinc/08/95/61/587089561.db2.gz YMBCLBSRBHARJS-XVNBXDOJSA-N 1 2 249.273 2.432 20 30 BEEDLO CC(C)(C)c1[nH+]c[nH]c1COC(=O)CCCC#N ZINC000822304216 587161329 /nfs/dbraw/zinc/16/13/29/587161329.db2.gz IPGRVCUKAHEDND-UHFFFAOYSA-N 1 2 249.314 2.444 20 30 BEEDLO CCC(C#N)(CC)C(=O)OCCCn1cc[nH+]c1 ZINC000860197431 589088412 /nfs/dbraw/zinc/08/84/12/589088412.db2.gz CKUNPKOKDKLOLW-UHFFFAOYSA-N 1 2 249.314 2.146 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cc(F)cc(OC)c1 ZINC000823458737 587223463 /nfs/dbraw/zinc/22/34/63/587223463.db2.gz DRPHGFXOLOICMO-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cc(F)cc(OC)c1 ZINC000823458737 587223464 /nfs/dbraw/zinc/22/34/64/587223464.db2.gz DRPHGFXOLOICMO-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C=CCC1(C(=O)NC2=[NH+]CCS2)CCCC1 ZINC000823671320 587235456 /nfs/dbraw/zinc/23/54/56/587235456.db2.gz LCBJPKJIOZWBJY-UHFFFAOYSA-N 1 2 238.356 2.342 20 30 BEEDLO C#CCCCC(=O)Nc1c(C)cc[nH+]c1C ZINC000823836118 587241817 /nfs/dbraw/zinc/24/18/17/587241817.db2.gz CZWJVGNXLQCLCR-UHFFFAOYSA-N 1 2 216.284 2.440 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccnc(Cl)c2F)CC1 ZINC000824326373 587266560 /nfs/dbraw/zinc/26/65/60/587266560.db2.gz CVTXGNZORUKIIC-UHFFFAOYSA-N 1 2 239.681 2.267 20 30 BEEDLO N#CC1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000824645624 587281069 /nfs/dbraw/zinc/28/10/69/587281069.db2.gz NCNKEDJNIJEIGF-UHFFFAOYSA-N 1 2 244.342 2.029 20 30 BEEDLO C#CC[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000829778407 587514939 /nfs/dbraw/zinc/51/49/39/587514939.db2.gz BSLCWTVYLXIMAR-NSHDSACASA-N 1 2 245.326 2.182 20 30 BEEDLO C#CC[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000829778407 587514940 /nfs/dbraw/zinc/51/49/40/587514940.db2.gz BSLCWTVYLXIMAR-NSHDSACASA-N 1 2 245.326 2.182 20 30 BEEDLO C#CC1CC[NH+](Cc2nnc(C(C)C)o2)CC1 ZINC000830321523 587546010 /nfs/dbraw/zinc/54/60/10/587546010.db2.gz PIZLHWIITSYBCQ-UHFFFAOYSA-N 1 2 233.315 2.038 20 30 BEEDLO C#CCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000832116251 587645502 /nfs/dbraw/zinc/64/55/02/587645502.db2.gz DNYPBJXVWPYAOC-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO C#CCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000832116251 587645503 /nfs/dbraw/zinc/64/55/03/587645503.db2.gz DNYPBJXVWPYAOC-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO C#CCCCCCC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833277973 587703779 /nfs/dbraw/zinc/70/37/79/587703779.db2.gz KYAPTJGLFXKZFB-LBPRGKRZSA-N 1 2 245.326 2.028 20 30 BEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833278163 587703896 /nfs/dbraw/zinc/70/38/96/587703896.db2.gz OOOXGQPXSTWEAO-GXFFZTMASA-N 1 2 233.315 2.046 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833278162 587704350 /nfs/dbraw/zinc/70/43/50/587704350.db2.gz OOOXGQPXSTWEAO-GWCFXTLKSA-N 1 2 233.315 2.046 20 30 BEEDLO C#CCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000836629618 587835658 /nfs/dbraw/zinc/83/56/58/587835658.db2.gz PLXFSRLATSRRRU-UHFFFAOYSA-N 1 2 231.299 2.152 20 30 BEEDLO C#CCC(C)(C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836953746 587843687 /nfs/dbraw/zinc/84/36/87/587843687.db2.gz HLQJXAOWEAHNCA-QWRGUYRKSA-N 1 2 245.326 2.055 20 30 BEEDLO CCn1c[nH+]cc1CN=Nc1cc(C)ccn1 ZINC000841628939 587961421 /nfs/dbraw/zinc/96/14/21/587961421.db2.gz FJEZCFGTUIDLKI-UHFFFAOYSA-N 1 2 229.287 2.052 20 30 BEEDLO CCn1c[nH+]cc1C=NNCc1ccc(C)cc1 ZINC000841640432 587965117 /nfs/dbraw/zinc/96/51/17/587965117.db2.gz GDBUITDSPUKEDB-UHFFFAOYSA-N 1 2 242.326 2.335 20 30 BEEDLO N#CC1(CO[NH+]=C(N)c2ccccc2)CCC1 ZINC000842013967 587989012 /nfs/dbraw/zinc/98/90/12/587989012.db2.gz XNPHLQCRIAPTHU-UHFFFAOYSA-N 1 2 229.283 2.227 20 30 BEEDLO N#CC1(CO[NH+]=C(N)c2cccc(F)c2)CCC1 ZINC000842026411 587990127 /nfs/dbraw/zinc/99/01/27/587990127.db2.gz NKBHVDJNZQISLW-UHFFFAOYSA-N 1 2 247.273 2.366 20 30 BEEDLO CCCO[NH+]=C(C)c1cc([N+](=O)[O-])ccc1N ZINC000842550265 588041390 /nfs/dbraw/zinc/04/13/90/588041390.db2.gz CDWFSYZEJDEARW-UHFFFAOYSA-N 1 2 237.259 2.328 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000844421971 588191499 /nfs/dbraw/zinc/19/14/99/588191499.db2.gz JFPQSBPKVHENCE-SNVBAGLBSA-N 1 2 215.724 2.382 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000844421971 588191500 /nfs/dbraw/zinc/19/15/00/588191500.db2.gz JFPQSBPKVHENCE-SNVBAGLBSA-N 1 2 215.724 2.382 20 30 BEEDLO C=C[C@@H](C)O[NH+]=C1CCCc2nc(N)sc21 ZINC000844619505 588209066 /nfs/dbraw/zinc/20/90/66/588209066.db2.gz AKITZVXYBLHVNL-SSDOTTSWSA-N 1 2 237.328 2.357 20 30 BEEDLO C=C(CC)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845286537 588224858 /nfs/dbraw/zinc/22/48/58/588224858.db2.gz XUIILYIWOVMNAV-LLVKDONJSA-N 1 2 222.288 2.344 20 30 BEEDLO C=C(Cl)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845278851 588225401 /nfs/dbraw/zinc/22/54/01/588225401.db2.gz KLGRBHJWKJEXBF-VIFPVBQESA-N 1 2 228.679 2.130 20 30 BEEDLO C=C(C)CCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845287019 588225737 /nfs/dbraw/zinc/22/57/37/588225737.db2.gz ZDQBUPOSEDHNGQ-LLVKDONJSA-N 1 2 222.288 2.344 20 30 BEEDLO C[C@H](CC(=O)O[C@H](C)C(C)(C)C#N)n1cc[nH+]c1 ZINC000845496958 588230844 /nfs/dbraw/zinc/23/08/44/588230844.db2.gz QPVRRYCXPCCQSF-GHMZBOCLSA-N 1 2 249.314 2.316 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@]1(C)CC)C(=O)OC ZINC000845983906 588252578 /nfs/dbraw/zinc/25/25/78/588252578.db2.gz XJKAJQWTKNKECR-OUCADQQQSA-N 1 2 237.343 2.110 20 30 BEEDLO COCC1(C/[NH+]=C\c2cccc(OC)c2O)CC1 ZINC000846757203 588286309 /nfs/dbraw/zinc/28/63/09/588286309.db2.gz VORYQHHXTOEKJA-NVNXTCNLSA-N 1 2 249.310 2.246 20 30 BEEDLO CC[N@H+](C[C@@H](C)C#N)CC1(Br)CC1 ZINC000846790313 588288473 /nfs/dbraw/zinc/28/84/73/588288473.db2.gz RSIHYUNQVJDMET-VIFPVBQESA-N 1 2 245.164 2.395 20 30 BEEDLO CC[N@@H+](C[C@@H](C)C#N)CC1(Br)CC1 ZINC000846790313 588288474 /nfs/dbraw/zinc/28/84/74/588288474.db2.gz RSIHYUNQVJDMET-VIFPVBQESA-N 1 2 245.164 2.395 20 30 BEEDLO C[N@H+](CC(C)(C)C#N)CC1(Br)CC1 ZINC000846925150 588297077 /nfs/dbraw/zinc/29/70/77/588297077.db2.gz KXGKHFSQOICFSA-UHFFFAOYSA-N 1 2 245.164 2.395 20 30 BEEDLO C[N@@H+](CC(C)(C)C#N)CC1(Br)CC1 ZINC000846925150 588297078 /nfs/dbraw/zinc/29/70/78/588297078.db2.gz KXGKHFSQOICFSA-UHFFFAOYSA-N 1 2 245.164 2.395 20 30 BEEDLO CCOC(C[N@H+](CC)CC1(C#N)CC1)OCC ZINC000846977249 588299826 /nfs/dbraw/zinc/29/98/26/588299826.db2.gz ZWNIZQLWAIKYHW-UHFFFAOYSA-N 1 2 240.347 2.011 20 30 BEEDLO CCOC(C[N@@H+](CC)CC1(C#N)CC1)OCC ZINC000846977249 588299827 /nfs/dbraw/zinc/29/98/27/588299827.db2.gz ZWNIZQLWAIKYHW-UHFFFAOYSA-N 1 2 240.347 2.011 20 30 BEEDLO C[C@@H]1CCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848417221 588381717 /nfs/dbraw/zinc/38/17/17/588381717.db2.gz PXEXBYREQFTXNV-LLVKDONJSA-N 1 2 220.320 2.039 20 30 BEEDLO c1cn(CCCNN=C2CCC[C@@H]3C[C@H]23)c[nH+]1 ZINC000848416640 588381751 /nfs/dbraw/zinc/38/17/51/588381751.db2.gz SUQUDOWFGZNMHI-NEPJUHHUSA-N 1 2 232.331 2.039 20 30 BEEDLO Cc1ccc(C=NNCCCn2cc[nH+]c2)cc1 ZINC000848419768 588382693 /nfs/dbraw/zinc/38/26/93/588382693.db2.gz FEVBLHYRXKPJJY-UHFFFAOYSA-N 1 2 242.326 2.205 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cn2ncc(Cl)c2C)C1 ZINC000848492985 588386944 /nfs/dbraw/zinc/38/69/44/588386944.db2.gz DXBJBZSZFQFBSU-NSHDSACASA-N 1 2 237.734 2.148 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cn2ncc(Cl)c2C)C1 ZINC000848492985 588386946 /nfs/dbraw/zinc/38/69/46/588386946.db2.gz DXBJBZSZFQFBSU-NSHDSACASA-N 1 2 237.734 2.148 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000848537752 588394450 /nfs/dbraw/zinc/39/44/50/588394450.db2.gz MSRMDWXVPJTPEY-UHFFFAOYSA-N 1 2 225.723 2.062 20 30 BEEDLO C#C[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000848748887 588410724 /nfs/dbraw/zinc/41/07/24/588410724.db2.gz BBNBJCAKCXPPNO-NSHDSACASA-N 1 2 225.295 2.413 20 30 BEEDLO COC1C[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000848915250 588420058 /nfs/dbraw/zinc/42/00/58/588420058.db2.gz UOLJZQQBGVBEDD-UHFFFAOYSA-N 1 2 244.338 2.318 20 30 BEEDLO C=CCOCCC/[NH+]=C/c1cc(OC)ccc1O ZINC000849172378 588459836 /nfs/dbraw/zinc/45/98/36/588459836.db2.gz RCFRFBGVRCBRKQ-RVDMUPIBSA-N 1 2 249.310 2.412 20 30 BEEDLO C=C(Br)CNc1cc(C)[nH+]cn1 ZINC000110307766 588646022 /nfs/dbraw/zinc/64/60/22/588646022.db2.gz IHXHPOYODOUNTI-UHFFFAOYSA-N 1 2 228.093 2.106 20 30 BEEDLO C#CC[N@@H+](C)Cc1cccc(F)c1OC(F)F ZINC000851979217 588650820 /nfs/dbraw/zinc/65/08/20/588650820.db2.gz YCIRGPINJXJAQX-UHFFFAOYSA-N 1 2 243.228 2.492 20 30 BEEDLO C#CC[N@H+](C)Cc1cccc(F)c1OC(F)F ZINC000851979217 588650821 /nfs/dbraw/zinc/65/08/21/588650821.db2.gz YCIRGPINJXJAQX-UHFFFAOYSA-N 1 2 243.228 2.492 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC000852100401 588662630 /nfs/dbraw/zinc/66/26/30/588662630.db2.gz XEFMPBFXYHRPGO-RNCFNFMXSA-N 1 2 233.315 2.400 20 30 BEEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCF)C1 ZINC000852331389 588678880 /nfs/dbraw/zinc/67/88/80/588678880.db2.gz YDSVVTODDOBUAV-AWEZNQCLSA-N 1 2 247.317 2.298 20 30 BEEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCF)C1 ZINC000852331389 588678881 /nfs/dbraw/zinc/67/88/81/588678881.db2.gz YDSVVTODDOBUAV-AWEZNQCLSA-N 1 2 247.317 2.298 20 30 BEEDLO C=CC[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000852410684 588681269 /nfs/dbraw/zinc/68/12/69/588681269.db2.gz PJVNLDVWWXYSFD-JTQLQIEISA-N 1 2 223.345 2.326 20 30 BEEDLO C=CC[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000852410684 588681270 /nfs/dbraw/zinc/68/12/70/588681270.db2.gz PJVNLDVWWXYSFD-JTQLQIEISA-N 1 2 223.345 2.326 20 30 BEEDLO C[C@H](C#N)[N@H+](CC1CC(F)(F)C1)C1CC1 ZINC000852479113 588683440 /nfs/dbraw/zinc/68/34/40/588683440.db2.gz CESVFGCBSRZYDT-MRVPVSSYSA-N 1 2 214.259 2.408 20 30 BEEDLO C[C@H](C#N)[N@@H+](CC1CC(F)(F)C1)C1CC1 ZINC000852479113 588683441 /nfs/dbraw/zinc/68/34/41/588683441.db2.gz CESVFGCBSRZYDT-MRVPVSSYSA-N 1 2 214.259 2.408 20 30 BEEDLO C=C(Br)C[N@@H+](C)CC1=CCCOC1 ZINC000852519366 588687720 /nfs/dbraw/zinc/68/77/20/588687720.db2.gz ZVFRJCQVYMNACO-UHFFFAOYSA-N 1 2 246.148 2.174 20 30 BEEDLO C=C(Br)C[N@H+](C)CC1=CCCOC1 ZINC000852519366 588687721 /nfs/dbraw/zinc/68/77/21/588687721.db2.gz ZVFRJCQVYMNACO-UHFFFAOYSA-N 1 2 246.148 2.174 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000852684865 588695967 /nfs/dbraw/zinc/69/59/67/588695967.db2.gz PTHOOXSNSLYZBJ-KBPBESRZSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000852684865 588695968 /nfs/dbraw/zinc/69/59/68/588695968.db2.gz PTHOOXSNSLYZBJ-KBPBESRZSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000852685504 588695970 /nfs/dbraw/zinc/69/59/70/588695970.db2.gz XBZLDPNIYCCFPR-KGLIPLIRSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000852685504 588695971 /nfs/dbraw/zinc/69/59/71/588695971.db2.gz XBZLDPNIYCCFPR-KGLIPLIRSA-N 1 2 248.301 2.095 20 30 BEEDLO CCCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000862357240 589202880 /nfs/dbraw/zinc/20/28/80/589202880.db2.gz QSOARBQZUFNNIC-UHFFFAOYSA-N 1 2 237.347 2.429 20 30 BEEDLO CCCN[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863080190 589254706 /nfs/dbraw/zinc/25/47/06/589254706.db2.gz QVILVCZCHQPZOD-UHFFFAOYSA-N 1 2 241.285 2.364 20 30 BEEDLO COc1ccc2c(c1)CC(=[NH+]n1cccn1)CC2 ZINC000863164793 589266534 /nfs/dbraw/zinc/26/65/34/589266534.db2.gz VJQJGOYDBOEOAR-UHFFFAOYSA-N 1 2 241.294 2.285 20 30 BEEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2C[C@@H]2C)ccc1F ZINC000863455428 589289015 /nfs/dbraw/zinc/28/90/15/589289015.db2.gz HMAQQCWFGHQISW-KWQFWETISA-N 1 2 236.290 2.427 20 30 BEEDLO C=CCCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863479604 589292740 /nfs/dbraw/zinc/29/27/40/589292740.db2.gz RIKUBCCEXLTDSQ-UHFFFAOYSA-N 1 2 226.320 2.410 20 30 BEEDLO C[N@H+](Cc1ccc(F)cn1)[C@@H]1CCC[C@H]1C#N ZINC000864053257 589335685 /nfs/dbraw/zinc/33/56/85/589335685.db2.gz HQMHMBJMFOMBNQ-GXFFZTMASA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1ccc(F)cn1)[C@@H]1CCC[C@H]1C#N ZINC000864053257 589335687 /nfs/dbraw/zinc/33/56/87/589335687.db2.gz HQMHMBJMFOMBNQ-GXFFZTMASA-N 1 2 233.290 2.345 20 30 BEEDLO C#C[C@@H](C)N(C)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865731583 589458811 /nfs/dbraw/zinc/45/88/11/589458811.db2.gz SPOOSRGGGFSBPP-SSDOTTSWSA-N 1 2 234.690 2.021 20 30 BEEDLO C=C(C)CCNc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865848874 589464926 /nfs/dbraw/zinc/46/49/26/589464926.db2.gz DOZBHJOFSBWYEC-UHFFFAOYSA-N 1 2 247.346 2.490 20 30 BEEDLO C=C(C)CCNc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865848874 589464927 /nfs/dbraw/zinc/46/49/27/589464927.db2.gz DOZBHJOFSBWYEC-UHFFFAOYSA-N 1 2 247.346 2.490 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1CNc1ccc([C@H](C)O)c[nH+]1 ZINC000865890907 589467439 /nfs/dbraw/zinc/46/74/39/589467439.db2.gz ZPGKAXSUTRPGLD-DRZSPHRISA-N 1 2 248.326 2.138 20 30 BEEDLO CCCNc1cc(N[C@@H]2CC[C@H](C#N)C2)nc[nH+]1 ZINC000865890644 589467534 /nfs/dbraw/zinc/46/75/34/589467534.db2.gz XNSWJYBWLYTNBG-WDEREUQCSA-N 1 2 245.330 2.403 20 30 BEEDLO CCCNc1cc(N[C@@H]2CC[C@H](C#N)C2)[nH+]cn1 ZINC000865890644 589467535 /nfs/dbraw/zinc/46/75/35/589467535.db2.gz XNSWJYBWLYTNBG-WDEREUQCSA-N 1 2 245.330 2.403 20 30 BEEDLO C[C@H](O)c1ccc(N2CCC[C@H](CC#N)C2)[nH+]c1 ZINC000865932532 589469348 /nfs/dbraw/zinc/46/93/48/589469348.db2.gz WDAKZSVNFKCTRL-NWDGAFQWSA-N 1 2 245.326 2.265 20 30 BEEDLO C[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc(C#N)c1O ZINC000866214408 589480895 /nfs/dbraw/zinc/48/08/95/589480895.db2.gz OIJOASQVGJLXAV-ZYHUDNBSSA-N 1 2 246.310 2.093 20 30 BEEDLO C[C@H]([NH2+]C1CC1)c1cccc(C#N)c1O ZINC000866212533 589480984 /nfs/dbraw/zinc/48/09/84/589480984.db2.gz HEVITPSOLMPLKZ-QMMMGPOBSA-N 1 2 202.257 2.077 20 30 BEEDLO COC[C@@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866243356 589482464 /nfs/dbraw/zinc/48/24/64/589482464.db2.gz YLYPHQFGSZXBOK-QWRGUYRKSA-N 1 2 248.326 2.197 20 30 BEEDLO C[C@H]([NH2+][C@H]1CCCOC1)c1cccc(C#N)c1O ZINC000866260365 589483514 /nfs/dbraw/zinc/48/35/14/589483514.db2.gz DYQHXSVGAYRDDD-JQWIXIFHSA-N 1 2 246.310 2.093 20 30 BEEDLO COC(C)(C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866286436 589484439 /nfs/dbraw/zinc/48/44/39/589484439.db2.gz ZVDFFSNCFQNYLD-SNVBAGLBSA-N 1 2 248.326 2.339 20 30 BEEDLO C[C@H]([NH2+]C1CCC1)c1cccc(C#N)c1O ZINC000866294140 589484609 /nfs/dbraw/zinc/48/46/09/589484609.db2.gz MCBXWEHJNOUYHW-VIFPVBQESA-N 1 2 216.284 2.467 20 30 BEEDLO C[C@H]([NH2+][C@@H]1CCSC1)c1cccc(C#N)c1O ZINC000866303728 589485376 /nfs/dbraw/zinc/48/53/76/589485376.db2.gz OXUZGOOYKVETDS-GXSJLCMTSA-N 1 2 248.351 2.420 20 30 BEEDLO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cccc(C#N)c1O ZINC000866318416 589486331 /nfs/dbraw/zinc/48/63/31/589486331.db2.gz YDQSOWBJDFVDDQ-ZJUUUORDSA-N 1 2 248.326 2.074 20 30 BEEDLO C[C@@H]([NH2+]CCCCCO)c1cccc(C#N)c1O ZINC000866351168 589487601 /nfs/dbraw/zinc/48/76/01/589487601.db2.gz GUUJRJFOMZETBA-LLVKDONJSA-N 1 2 248.326 2.077 20 30 BEEDLO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866361625 589488052 /nfs/dbraw/zinc/48/80/52/589488052.db2.gz QXDJLDFVKIRRRI-GMTAPVOTSA-N 1 2 248.326 2.338 20 30 BEEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@@H](C)O ZINC000866367170 589488326 /nfs/dbraw/zinc/48/83/26/589488326.db2.gz GPBSNZFDWCPSSI-CWSCBRNRSA-N 1 2 248.326 2.074 20 30 BEEDLO O=C1OCC[C@@H]1CCC/[NH+]=C/c1ccccc1O ZINC000871597636 589771094 /nfs/dbraw/zinc/77/10/94/589771094.db2.gz TXRGYRZPWWEKCO-KBVGCWLLSA-N 1 2 247.294 2.154 20 30 BEEDLO C=C[C@@H]([NH2+]CCCC(C)(C)C=C)C(=O)OC ZINC000871930414 589834008 /nfs/dbraw/zinc/83/40/08/589834008.db2.gz MTSDECAXSATGNA-LLVKDONJSA-N 1 2 225.332 2.296 20 30 BEEDLO Cc1ccc(N=NCc2cn(C3CC3)c[nH+]2)nc1 ZINC000872347927 589915648 /nfs/dbraw/zinc/91/56/48/589915648.db2.gz IQTKFEGKAQXLDE-UHFFFAOYSA-N 1 2 241.298 2.367 20 30 BEEDLO Fc1ccc(N=NCc2cn(C3CC3)c[nH+]2)nc1 ZINC000872349841 589916540 /nfs/dbraw/zinc/91/65/40/589916540.db2.gz FPTRONVCDFMUIN-UHFFFAOYSA-N 1 2 245.261 2.198 20 30 BEEDLO C(=NNCC1CCCC1)c1c[nH]c2nc[nH+]cc12 ZINC000872373392 589924511 /nfs/dbraw/zinc/92/45/11/589924511.db2.gz CTFPYAADHSTQEE-UHFFFAOYSA-N 1 2 243.314 2.023 20 30 BEEDLO C[C@H]1CCCCN1N=Cc1c[nH]c2nc[nH+]cc12 ZINC000872388359 589931270 /nfs/dbraw/zinc/93/12/70/589931270.db2.gz GNEJSXYTLYXWRW-JTQLQIEISA-N 1 2 243.314 2.118 20 30 BEEDLO Cn1c[nH+]cc1C=NNC1CCC(C)(C)CC1 ZINC000872395453 589932611 /nfs/dbraw/zinc/93/26/11/589932611.db2.gz NCJNVZYLLYCILH-UHFFFAOYSA-N 1 2 234.347 2.312 20 30 BEEDLO C=C(Br)C[NH2+][C@H](C)c1cnccn1 ZINC000125078134 590116975 /nfs/dbraw/zinc/11/69/75/590116975.db2.gz VWNFJMWFUBKLFQ-MRVPVSSYSA-N 1 2 242.120 2.036 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ccc(Cl)nn1 ZINC000876525571 590208289 /nfs/dbraw/zinc/20/82/89/590208289.db2.gz HQOVGJFTGAIERD-UHFFFAOYSA-N 1 2 223.707 2.304 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(F)c(F)c1O ZINC000876750836 590237704 /nfs/dbraw/zinc/23/77/04/590237704.db2.gz WVMNVBARZOMTBC-UHFFFAOYSA-N 1 2 249.260 2.129 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(F)c(F)c1O ZINC000876750836 590237706 /nfs/dbraw/zinc/23/77/06/590237706.db2.gz WVMNVBARZOMTBC-UHFFFAOYSA-N 1 2 249.260 2.129 20 30 BEEDLO COc1cc(C[NH2+]CCC#N)c(Cl)cc1O ZINC000877482862 590333735 /nfs/dbraw/zinc/33/37/35/590333735.db2.gz IEWXUPOMZMDTAC-UHFFFAOYSA-N 1 2 240.690 2.057 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877480312 590336547 /nfs/dbraw/zinc/33/65/47/590336547.db2.gz RITSOELCXBYONP-MRVPVSSYSA-N 1 2 225.238 2.124 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877480312 590336550 /nfs/dbraw/zinc/33/65/50/590336550.db2.gz RITSOELCXBYONP-MRVPVSSYSA-N 1 2 225.238 2.124 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1c(OC)cccc1OC ZINC000877479300 590336582 /nfs/dbraw/zinc/33/65/82/590336582.db2.gz AONYVYQPWRMGQM-NSHDSACASA-N 1 2 233.311 2.157 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1c(OC)cccc1OC ZINC000877479300 590336584 /nfs/dbraw/zinc/33/65/84/590336584.db2.gz AONYVYQPWRMGQM-NSHDSACASA-N 1 2 233.311 2.157 20 30 BEEDLO COc1cccc(C)c1C[NH2+]CCC#N ZINC000877482815 590337861 /nfs/dbraw/zinc/33/78/61/590337861.db2.gz HJOWXCMSKYLCGK-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO C=C(Cl)C[C@H]([NH2+]C[C@H]1C[C@H]1C)C(=O)OCC ZINC000877672080 590389640 /nfs/dbraw/zinc/38/96/40/590389640.db2.gz VXFFIFRKPPCVMI-IEBDPFPHSA-N 1 2 245.750 2.306 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C)o1 ZINC000877932903 590451342 /nfs/dbraw/zinc/45/13/42/590451342.db2.gz ATOJWOJFTOSWCR-GFCCVEGCSA-N 1 2 237.299 2.138 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)o1 ZINC000877932903 590451344 /nfs/dbraw/zinc/45/13/44/590451344.db2.gz ATOJWOJFTOSWCR-GFCCVEGCSA-N 1 2 237.299 2.138 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C)o1 ZINC000877932904 590451390 /nfs/dbraw/zinc/45/13/90/590451390.db2.gz ATOJWOJFTOSWCR-LBPRGKRZSA-N 1 2 237.299 2.138 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)o1 ZINC000877932904 590451391 /nfs/dbraw/zinc/45/13/91/590451391.db2.gz ATOJWOJFTOSWCR-LBPRGKRZSA-N 1 2 237.299 2.138 20 30 BEEDLO C=CC[C@@H](C)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000878715528 590614842 /nfs/dbraw/zinc/61/48/42/590614842.db2.gz PRZMONCJXIGFPU-SECBINFHSA-N 1 2 221.304 2.343 20 30 BEEDLO C=CC[C@@H](C)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000878715528 590614843 /nfs/dbraw/zinc/61/48/43/590614843.db2.gz PRZMONCJXIGFPU-SECBINFHSA-N 1 2 221.304 2.343 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccnc(Cl)c1 ZINC000878816854 590627091 /nfs/dbraw/zinc/62/70/91/590627091.db2.gz MFUQOQBPQRIMLO-MRVPVSSYSA-N 1 2 209.680 2.127 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(F)cc1C#N ZINC000878816345 590627331 /nfs/dbraw/zinc/62/73/31/590627331.db2.gz GLWADKDNRHHHHS-VIFPVBQESA-N 1 2 217.247 2.089 20 30 BEEDLO C=CC[N@H+](Cc1nocc1C)[C@H](C)COC ZINC000878889964 590642000 /nfs/dbraw/zinc/64/20/00/590642000.db2.gz OQJXUUJJUJCUPS-LLVKDONJSA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[N@@H+](Cc1nocc1C)[C@H](C)COC ZINC000878889964 590642003 /nfs/dbraw/zinc/64/20/03/590642003.db2.gz OQJXUUJJUJCUPS-LLVKDONJSA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[C@H]([NH2+][C@H](C)c1ccccc1O)C(=O)OC ZINC000879649732 590841539 /nfs/dbraw/zinc/84/15/39/590841539.db2.gz FFYBPVFHLMBZSY-PWSUYJOCSA-N 1 2 249.310 2.161 20 30 BEEDLO C=CC[N@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879738758 590858576 /nfs/dbraw/zinc/85/85/76/590858576.db2.gz TVFNPHKQAGMISA-CQSZACIVSA-N 1 2 233.311 2.255 20 30 BEEDLO C=CC[N@@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879738758 590858579 /nfs/dbraw/zinc/85/85/79/590858579.db2.gz TVFNPHKQAGMISA-CQSZACIVSA-N 1 2 233.311 2.255 20 30 BEEDLO CO[C@@H](C)C(N)=[NH+]OCC1CCCCCC1 ZINC000128093528 590892279 /nfs/dbraw/zinc/89/22/79/590892279.db2.gz MWBQGMYIILKSMJ-JTQLQIEISA-N 1 2 228.336 2.281 20 30 BEEDLO CCOC(=O)[C@@H](CC1CC1)[NH2+][C@@H](C)CCC#N ZINC000879982876 590903956 /nfs/dbraw/zinc/90/39/56/590903956.db2.gz OISBQRGFDRGQNQ-CMPLNLGQSA-N 1 2 238.331 2.000 20 30 BEEDLO C=CC(C)(C)CC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000880158112 590947141 /nfs/dbraw/zinc/94/71/41/590947141.db2.gz DHIZGFKPJULRHM-SNVBAGLBSA-N 1 2 233.315 2.046 20 30 BEEDLO C=C(Cl)C[NH2+]C1(c2ncccn2)CCC1 ZINC000880364547 591010354 /nfs/dbraw/zinc/01/03/54/591010354.db2.gz HCXVXBZXNJXGSS-UHFFFAOYSA-N 1 2 223.707 2.198 20 30 BEEDLO CC#CC[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880445132 591045403 /nfs/dbraw/zinc/04/54/03/591045403.db2.gz VDDHTNCXGWXKOR-UHFFFAOYSA-N 1 2 221.250 2.346 20 30 BEEDLO CC#CC[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880445132 591045407 /nfs/dbraw/zinc/04/54/07/591045407.db2.gz VDDHTNCXGWXKOR-UHFFFAOYSA-N 1 2 221.250 2.346 20 30 BEEDLO C=CC(C)(C)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000880722304 591126853 /nfs/dbraw/zinc/12/68/53/591126853.db2.gz MVECPZJPYYRMGE-SNVBAGLBSA-N 1 2 235.331 2.200 20 30 BEEDLO C=CC[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000882089005 591295994 /nfs/dbraw/zinc/29/59/94/591295994.db2.gz NANJYUUHIYOGRQ-MRVPVSSYSA-N 1 2 234.328 2.420 20 30 BEEDLO C=C(C)COCCNc1nc[nH+]c(C)c1C ZINC000882094708 591297110 /nfs/dbraw/zinc/29/71/10/591297110.db2.gz RQKGNQFQGUUXPB-UHFFFAOYSA-N 1 2 221.304 2.098 20 30 BEEDLO Cc1[nH+]cnc(N2CCC(C)(C#N)CC2)c1C ZINC000882168544 591310292 /nfs/dbraw/zinc/31/02/92/591310292.db2.gz HMCDNRYVZWOBKI-UHFFFAOYSA-N 1 2 230.315 2.224 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1nc[nH+]c(C)c1C ZINC000882301241 591327086 /nfs/dbraw/zinc/32/70/86/591327086.db2.gz SEODHQXSEOEQPK-STQMWFEESA-N 1 2 247.342 2.487 20 30 BEEDLO C#C[C@H]1CC[C@H](Nc2cc[nH+]cc2F)CC1 ZINC000882720919 591421533 /nfs/dbraw/zinc/42/15/33/591421533.db2.gz OZXPLIPJXVQSSX-XYPYZODXSA-N 1 2 218.275 2.247 20 30 BEEDLO C#C[C@H]1CC[C@H](Nc2cc(CO)cc[nH+]2)CC1 ZINC000882720883 591421684 /nfs/dbraw/zinc/42/16/84/591421684.db2.gz NSCJELXVEKGCDS-AULYBMBSSA-N 1 2 230.311 2.178 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883015444 591513783 /nfs/dbraw/zinc/51/37/83/591513783.db2.gz SCUWLMQMCGUBAJ-UHFFFAOYSA-N 1 2 213.712 2.375 20 30 BEEDLO C#CCSCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000131766192 591653699 /nfs/dbraw/zinc/65/36/99/591653699.db2.gz IDXMIDGSZCHRNE-UHFFFAOYSA-N 1 2 247.367 2.441 20 30 BEEDLO CCc1nc(NCC(C)(C)CC#N)cc[nH+]1 ZINC000884527536 591966419 /nfs/dbraw/zinc/96/64/19/591966419.db2.gz UCGAKGMONRCXPC-UHFFFAOYSA-N 1 2 218.304 2.391 20 30 BEEDLO C=C1CCC(C(=O)OCCc2c[nH+]cn2C)CC1 ZINC000885649967 592090525 /nfs/dbraw/zinc/09/05/25/592090525.db2.gz PQDGINOLAVMAID-UHFFFAOYSA-N 1 2 248.326 2.252 20 30 BEEDLO CC1(C)CCC[N@H+](C[C@@H]2C[C@]23CCOC3)[C@H]1C#N ZINC000886173077 592169638 /nfs/dbraw/zinc/16/96/38/592169638.db2.gz FMMFETFJNWXAFN-YDHLFZDLSA-N 1 2 248.370 2.427 20 30 BEEDLO CC1(C)CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)[C@H]1C#N ZINC000886173077 592169640 /nfs/dbraw/zinc/16/96/40/592169640.db2.gz FMMFETFJNWXAFN-YDHLFZDLSA-N 1 2 248.370 2.427 20 30 BEEDLO C#CC[C@H]1CC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000886356325 592216262 /nfs/dbraw/zinc/21/62/62/592216262.db2.gz YBJAUUYPKNSJDJ-NSHDSACASA-N 1 2 233.315 2.038 20 30 BEEDLO C#CC[C@H]1CC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000886356325 592216264 /nfs/dbraw/zinc/21/62/64/592216264.db2.gz YBJAUUYPKNSJDJ-NSHDSACASA-N 1 2 233.315 2.038 20 30 BEEDLO C#CC[C@@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000886365156 592219189 /nfs/dbraw/zinc/21/91/89/592219189.db2.gz BFFTYMSVZQBYHL-LLVKDONJSA-N 1 2 245.326 2.182 20 30 BEEDLO C#CC[C@@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000886365156 592219190 /nfs/dbraw/zinc/21/91/90/592219190.db2.gz BFFTYMSVZQBYHL-LLVKDONJSA-N 1 2 245.326 2.182 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886677339 592299950 /nfs/dbraw/zinc/29/99/50/592299950.db2.gz VVJSZXRYRVMQBI-LLVKDONJSA-N 1 2 237.734 2.409 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886677339 592299953 /nfs/dbraw/zinc/29/99/53/592299953.db2.gz VVJSZXRYRVMQBI-LLVKDONJSA-N 1 2 237.734 2.409 20 30 BEEDLO C=C/C=C/CC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000887268366 592473239 /nfs/dbraw/zinc/47/32/39/592473239.db2.gz JOMXPERKODXTGA-YUQKSTFXSA-N 1 2 246.310 2.139 20 30 BEEDLO C=CCC1(C(=O)NCc2cn(C)c[nH+]2)CCCC1 ZINC000890104116 592680142 /nfs/dbraw/zinc/68/01/42/592680142.db2.gz HSOHGUDGKHJCQB-UHFFFAOYSA-N 1 2 247.342 2.173 20 30 BEEDLO CC(=[NH+]OCCC1CC1)c1csc(N)n1 ZINC000308937797 631744765 /nfs/dbraw/zinc/74/47/65/631744765.db2.gz OSMVJTALRVCOQT-UHFFFAOYSA-N 1 2 225.317 2.266 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000934467645 631860613 /nfs/dbraw/zinc/86/06/13/631860613.db2.gz PJJGOSCDDYOQCN-QWHCGFSZSA-N 1 2 248.301 2.003 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000934467645 631860614 /nfs/dbraw/zinc/86/06/14/631860614.db2.gz PJJGOSCDDYOQCN-QWHCGFSZSA-N 1 2 248.301 2.003 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nc(C)c(C)o1 ZINC000934512027 631894720 /nfs/dbraw/zinc/89/47/20/631894720.db2.gz XHATVBJGHDVQLY-GFCCVEGCSA-N 1 2 218.300 2.279 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC000934512027 631894722 /nfs/dbraw/zinc/89/47/22/631894722.db2.gz XHATVBJGHDVQLY-GFCCVEGCSA-N 1 2 218.300 2.279 20 30 BEEDLO N#CC1(C[NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000894202911 635746919 /nfs/dbraw/zinc/74/69/19/635746919.db2.gz BPCSZCYJIJHUTH-UHFFFAOYSA-N 1 2 241.338 2.354 20 30 BEEDLO C=C(Br)C[NH2+]Cc1nccs1 ZINC000136163527 636056080 /nfs/dbraw/zinc/05/60/80/636056080.db2.gz NWWRQEVAFJNDOJ-UHFFFAOYSA-N 1 2 233.134 2.141 20 30 BEEDLO C#C[C@@H]1CCCCN1c1cc(CC)[nH+]c(C)n1 ZINC000897360577 636423909 /nfs/dbraw/zinc/42/39/09/636423909.db2.gz KORUBZSAKJDTNM-CYBMUJFWSA-N 1 2 229.327 2.340 20 30 BEEDLO CC(C)CCOCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000079828192 636724495 /nfs/dbraw/zinc/72/44/95/636724495.db2.gz AMOUEGADPILCCV-ZDUSSCGKSA-N 1 2 224.348 2.285 20 30 BEEDLO CC(C)CCOCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000079828192 636724499 /nfs/dbraw/zinc/72/44/99/636724499.db2.gz AMOUEGADPILCCV-ZDUSSCGKSA-N 1 2 224.348 2.285 20 30 BEEDLO CC(C)CCOCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000079828188 636724589 /nfs/dbraw/zinc/72/45/89/636724589.db2.gz AMOUEGADPILCCV-CYBMUJFWSA-N 1 2 224.348 2.285 20 30 BEEDLO CC(C)CCOCC[N@H+]1CCC[C@H](C#N)C1 ZINC000079828188 636724591 /nfs/dbraw/zinc/72/45/91/636724591.db2.gz AMOUEGADPILCCV-CYBMUJFWSA-N 1 2 224.348 2.285 20 30 BEEDLO C=CC(C)(C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897898579 636845926 /nfs/dbraw/zinc/84/59/26/636845926.db2.gz MTLLPPCBGZKOPJ-UHFFFAOYSA-N 1 2 249.358 2.255 20 30 BEEDLO N#CCCC[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866335195 636876452 /nfs/dbraw/zinc/87/64/52/636876452.db2.gz FRGIXZVDVKCWHB-YPMHNXCESA-N 1 2 234.274 2.352 20 30 BEEDLO c1cn(CCCNN=C2C[C@H]3CCC[C@H]3C2)c[nH+]1 ZINC000905484366 637820467 /nfs/dbraw/zinc/82/04/67/637820467.db2.gz OQUCAEUGVUIJDM-BETUJISGSA-N 1 2 246.358 2.429 20 30 BEEDLO C=CC[C@@H]([NH2+]CC(C)(C)C(C)(F)F)C(=O)OC ZINC000905776780 637906673 /nfs/dbraw/zinc/90/66/73/637906673.db2.gz GPVTUYSDCKBPHH-SECBINFHSA-N 1 2 249.301 2.375 20 30 BEEDLO C=C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906964789 638279446 /nfs/dbraw/zinc/27/94/46/638279446.db2.gz MWLWMGFEDIQAIQ-SECBINFHSA-N 1 2 218.300 2.311 20 30 BEEDLO Nc1nc2c(s1)C(=[NH+]OC1CCC1)CCC2 ZINC000393435982 711472864 /nfs/dbraw/zinc/47/28/64/711472864.db2.gz KWUGCHZTKLNHMW-UHFFFAOYSA-N 1 2 237.328 2.165 20 30 BEEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000912281871 640015679 /nfs/dbraw/zinc/01/56/79/640015679.db2.gz RZGDFZGGJOYALR-AAEUAGOBSA-N 1 2 247.342 2.203 20 30 BEEDLO CCc1onc(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000931061883 640050365 /nfs/dbraw/zinc/05/03/65/640050365.db2.gz FKMJGCHMRJEDOI-CYBMUJFWSA-N 1 2 233.315 2.281 20 30 BEEDLO CCc1onc(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000931061883 640050368 /nfs/dbraw/zinc/05/03/68/640050368.db2.gz FKMJGCHMRJEDOI-CYBMUJFWSA-N 1 2 233.315 2.281 20 30 BEEDLO C#CC[N@@H+](Cc1nccn1C(C)C)C(C)C ZINC000932388804 640516227 /nfs/dbraw/zinc/51/62/27/640516227.db2.gz WNWKTMAHKLFVCS-UHFFFAOYSA-N 1 2 219.332 2.308 20 30 BEEDLO C#CC[N@H+](Cc1nccn1C(C)C)C(C)C ZINC000932388804 640516233 /nfs/dbraw/zinc/51/62/33/640516233.db2.gz WNWKTMAHKLFVCS-UHFFFAOYSA-N 1 2 219.332 2.308 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(CC)o1)C(C)C ZINC000932390423 640517600 /nfs/dbraw/zinc/51/76/00/640517600.db2.gz MDJWOUJTHCFPBM-UHFFFAOYSA-N 1 2 206.289 2.081 20 30 BEEDLO C#CC[N@H+](Cc1ncc(CC)o1)C(C)C ZINC000932390423 640517604 /nfs/dbraw/zinc/51/76/04/640517604.db2.gz MDJWOUJTHCFPBM-UHFFFAOYSA-N 1 2 206.289 2.081 20 30 BEEDLO C#CC[N@H+](Cc1nccs1)C(C)(C)C ZINC000932463100 640534632 /nfs/dbraw/zinc/53/46/32/640534632.db2.gz FXKSWIXNEFYWSQ-UHFFFAOYSA-N 1 2 208.330 2.377 20 30 BEEDLO C#CC[N@@H+](Cc1nccs1)C(C)(C)C ZINC000932463100 640534636 /nfs/dbraw/zinc/53/46/36/640534636.db2.gz FXKSWIXNEFYWSQ-UHFFFAOYSA-N 1 2 208.330 2.377 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(CC)o1)C(C)(C)C ZINC000932464452 640536849 /nfs/dbraw/zinc/53/68/49/640536849.db2.gz PUHQHFKRBQSVHU-UHFFFAOYSA-N 1 2 220.316 2.471 20 30 BEEDLO C#CC[N@H+](Cc1ncc(CC)o1)C(C)(C)C ZINC000932464452 640536853 /nfs/dbraw/zinc/53/68/53/640536853.db2.gz PUHQHFKRBQSVHU-UHFFFAOYSA-N 1 2 220.316 2.471 20 30 BEEDLO C#CCC1([NH2+]Cc2nnsc2Cl)CCC1 ZINC000933302942 640702307 /nfs/dbraw/zinc/70/23/07/640702307.db2.gz DKRPSPQEHIGVAB-UHFFFAOYSA-N 1 2 241.747 2.227 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCc2cccnc21 ZINC000226819210 640793550 /nfs/dbraw/zinc/79/35/50/640793550.db2.gz HRMKYVRVSFPKJK-VXGBXAGGSA-N 1 2 215.300 2.351 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCc2cccnc21 ZINC000226819206 640795064 /nfs/dbraw/zinc/79/50/64/640795064.db2.gz HRMKYVRVSFPKJK-NWDGAFQWSA-N 1 2 215.300 2.351 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001030510102 640891325 /nfs/dbraw/zinc/89/13/25/640891325.db2.gz LTUXHASMOCNECS-CYBMUJFWSA-N 1 2 248.370 2.109 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(CC2CC2)no1 ZINC000934458891 641154832 /nfs/dbraw/zinc/15/48/32/641154832.db2.gz FIBJRGBBZKAUGX-NSHDSACASA-N 1 2 233.315 2.173 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(CC2CC2)no1 ZINC000934458891 641154837 /nfs/dbraw/zinc/15/48/37/641154837.db2.gz FIBJRGBBZKAUGX-NSHDSACASA-N 1 2 233.315 2.173 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000934515508 641183282 /nfs/dbraw/zinc/18/32/82/641183282.db2.gz VHFCHVWUCITZQO-JTQLQIEISA-N 1 2 206.314 2.131 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1nccs1 ZINC000934515508 641183283 /nfs/dbraw/zinc/18/32/83/641183283.db2.gz VHFCHVWUCITZQO-JTQLQIEISA-N 1 2 206.314 2.131 20 30 BEEDLO C(=[NH+]NC1CC1)c1ccc(N2CCCCC2)o1 ZINC000758133659 641385493 /nfs/dbraw/zinc/38/54/93/641385493.db2.gz RWLVHFXLJXNTCM-UHFFFAOYSA-N 1 2 233.315 2.356 20 30 BEEDLO C=C1CC(C)(C(=O)NC2C[NH+](CC=C(C)C)C2)C1 ZINC001030916377 641421045 /nfs/dbraw/zinc/42/10/45/641421045.db2.gz AMHGHIYADOVWHJ-UHFFFAOYSA-N 1 2 248.370 2.109 20 30 BEEDLO CCCNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000915965385 641893049 /nfs/dbraw/zinc/89/30/49/641893049.db2.gz NWELPXQZDOGEOB-UHFFFAOYSA-N 1 2 232.331 2.037 20 30 BEEDLO C#CC[N@@H+](CC(=O)OCCCC)C1CCCC1 ZINC000154942716 642324499 /nfs/dbraw/zinc/32/44/99/642324499.db2.gz UQSVHOQUOWOUPY-UHFFFAOYSA-N 1 2 237.343 2.208 20 30 BEEDLO C#CC[N@H+](CC(=O)OCCCC)C1CCCC1 ZINC000154942716 642324504 /nfs/dbraw/zinc/32/45/04/642324504.db2.gz UQSVHOQUOWOUPY-UHFFFAOYSA-N 1 2 237.343 2.208 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000306648792 642338140 /nfs/dbraw/zinc/33/81/40/642338140.db2.gz PYCICCNAWUCYMG-SECBINFHSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000306648792 642338146 /nfs/dbraw/zinc/33/81/46/642338146.db2.gz PYCICCNAWUCYMG-SECBINFHSA-N 1 2 203.713 2.238 20 30 BEEDLO C=CC[N@@H+](C)Cn1cnc(-c2ccccc2)n1 ZINC000155026118 642362351 /nfs/dbraw/zinc/36/23/51/642362351.db2.gz VXEAWCWXILWYRZ-UHFFFAOYSA-N 1 2 228.299 2.020 20 30 BEEDLO C=CC[N@H+](C)Cn1cnc(-c2ccccc2)n1 ZINC000155026118 642362360 /nfs/dbraw/zinc/36/23/60/642362360.db2.gz VXEAWCWXILWYRZ-UHFFFAOYSA-N 1 2 228.299 2.020 20 30 BEEDLO C=CC[N@H+](Cc1nnc(C2CC2)o1)C(C)C ZINC000920207006 642448917 /nfs/dbraw/zinc/44/89/17/642448917.db2.gz SSCHKLFJTNWYEQ-UHFFFAOYSA-N 1 2 221.304 2.343 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(C2CC2)o1)C(C)C ZINC000920207006 642448922 /nfs/dbraw/zinc/44/89/22/642448922.db2.gz SSCHKLFJTNWYEQ-UHFFFAOYSA-N 1 2 221.304 2.343 20 30 BEEDLO CC[N@@H+](Cc1ccncc1)C[C@@H](C#N)CCC#N ZINC000921230834 642588349 /nfs/dbraw/zinc/58/83/49/642588349.db2.gz CJOIWRAOCVDQRS-CQSZACIVSA-N 1 2 242.326 2.347 20 30 BEEDLO CC[N@H+](Cc1ccncc1)C[C@@H](C#N)CCC#N ZINC000921230834 642588355 /nfs/dbraw/zinc/58/83/55/642588355.db2.gz CJOIWRAOCVDQRS-CQSZACIVSA-N 1 2 242.326 2.347 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cnc(CC)o1 ZINC000929260239 643849462 /nfs/dbraw/zinc/84/94/62/643849462.db2.gz VNFSUTTWPSJKAP-UHFFFAOYSA-N 1 2 206.289 2.411 20 30 BEEDLO C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccn(C)n1 ZINC000922180689 643894929 /nfs/dbraw/zinc/89/49/29/643894929.db2.gz FURCLXULYXNEOQ-VIFPVBQESA-N 1 2 246.339 2.204 20 30 BEEDLO N#CCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425332601 643896100 /nfs/dbraw/zinc/89/61/00/643896100.db2.gz CXWXUHPZLWDSMX-UHFFFAOYSA-N 1 2 240.209 2.011 20 30 BEEDLO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCC#N ZINC000425956048 643901845 /nfs/dbraw/zinc/90/18/45/643901845.db2.gz BIHAAUMBFJEDMB-UHFFFAOYSA-N 1 2 234.347 2.258 20 30 BEEDLO C=CCC(CC=C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922525147 644013768 /nfs/dbraw/zinc/01/37/68/644013768.db2.gz PATZKJKRMLUHMO-UHFFFAOYSA-N 1 2 246.310 2.475 20 30 BEEDLO C=C(C)C(C)(C)C(=O)OCc1ccc[nH+]c1N ZINC000922815378 644106099 /nfs/dbraw/zinc/10/60/99/644106099.db2.gz IPUFRVNTOJFGKU-UHFFFAOYSA-N 1 2 234.299 2.309 20 30 BEEDLO CCCCOCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000079829336 644213599 /nfs/dbraw/zinc/21/35/99/644213599.db2.gz CAIRMOGRQXEVFF-GFCCVEGCSA-N 1 2 210.321 2.039 20 30 BEEDLO CCCCOCC[N@H+]1CCC[C@H](C#N)C1 ZINC000079829336 644213605 /nfs/dbraw/zinc/21/36/05/644213605.db2.gz CAIRMOGRQXEVFF-GFCCVEGCSA-N 1 2 210.321 2.039 20 30 BEEDLO NC(Cc1ccccc1)=[NH+]OCc1cccnc1 ZINC000193579839 644257365 /nfs/dbraw/zinc/25/73/65/644257365.db2.gz MMRRQTYXAJZQGP-UHFFFAOYSA-N 1 2 241.294 2.113 20 30 BEEDLO CCC1CC(=O)C(=C[NH+]=c2cc[nH]cc2)C(=O)C1 ZINC000194964174 644355420 /nfs/dbraw/zinc/35/54/20/644355420.db2.gz APCUHCXFWKHIRP-UHFFFAOYSA-N 1 2 244.294 2.336 20 30 BEEDLO Cc1nc(CO[NH+]=C(N)c2ccccc2)oc1C ZINC000195477804 644392758 /nfs/dbraw/zinc/39/27/58/644392758.db2.gz AISBHWYAKWBDJX-UHFFFAOYSA-N 1 2 245.282 2.129 20 30 BEEDLO C=C(C)CO[NH+]=C(N)Cc1ccccc1 ZINC000089508270 644555284 /nfs/dbraw/zinc/55/52/84/644555284.db2.gz JHPRRCJXOBFFMU-UHFFFAOYSA-N 1 2 204.273 2.094 20 30 BEEDLO CN(C)c1ncc(C=[NH+]OCCC2CC2)s1 ZINC000814246129 644941533 /nfs/dbraw/zinc/94/15/33/644941533.db2.gz DQDSBGXTWWHMLS-UHFFFAOYSA-N 1 2 239.344 2.360 20 30 BEEDLO C[C@H]([NH2+]CCC#N)c1cc2cnccc2o1 ZINC000825721304 645064226 /nfs/dbraw/zinc/06/42/26/645064226.db2.gz PHMNXEKEXQEMDX-VIFPVBQESA-N 1 2 215.256 2.392 20 30 BEEDLO C#CC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000826714717 645067352 /nfs/dbraw/zinc/06/73/52/645067352.db2.gz GTPNREPLSPSWIZ-UHFFFAOYSA-N 1 2 229.327 2.251 20 30 BEEDLO C#CC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000830316533 645119955 /nfs/dbraw/zinc/11/99/55/645119955.db2.gz WOFZPUYDMPAIHH-UHFFFAOYSA-N 1 2 239.269 2.123 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000848924585 645446020 /nfs/dbraw/zinc/44/60/20/645446020.db2.gz WBGOBAGAIABGFU-SNVBAGLBSA-N 1 2 236.265 2.205 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000848924585 645446024 /nfs/dbraw/zinc/44/60/24/645446024.db2.gz WBGOBAGAIABGFU-SNVBAGLBSA-N 1 2 236.265 2.205 20 30 BEEDLO COc1ccnc([C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000926873847 645469533 /nfs/dbraw/zinc/46/95/33/645469533.db2.gz JTPQCCCMQPQWRX-JTQLQIEISA-N 1 2 231.299 2.045 20 30 BEEDLO C#CC[N@@H+](Cc1cc(C)ns1)C1CC1 ZINC000877371883 645794837 /nfs/dbraw/zinc/79/48/37/645794837.db2.gz PQTBVCZHZYHEHR-UHFFFAOYSA-N 1 2 206.314 2.049 20 30 BEEDLO C#CC[N@H+](Cc1cc(C)ns1)C1CC1 ZINC000877371883 645794840 /nfs/dbraw/zinc/79/48/40/645794840.db2.gz PQTBVCZHZYHEHR-UHFFFAOYSA-N 1 2 206.314 2.049 20 30 BEEDLO CCSCCO[NH+]=C(N)Cc1ccccc1 ZINC000127787573 645829195 /nfs/dbraw/zinc/82/91/95/645829195.db2.gz FNFVSQTUJZPDLW-UHFFFAOYSA-N 1 2 238.356 2.271 20 30 BEEDLO C#CC[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000884596169 645876640 /nfs/dbraw/zinc/87/66/40/645876640.db2.gz WRKJFGMIVSQGQQ-JTQLQIEISA-N 1 2 204.248 2.070 20 30 BEEDLO C=C1CC(c2noc([C@@H](C)[NH+](C)C)n2)C1 ZINC000924122559 645988259 /nfs/dbraw/zinc/98/82/59/645988259.db2.gz MPWQWXZTBHTHEE-MRVPVSSYSA-N 1 2 207.277 2.126 20 30 BEEDLO CC[C@@H]([NH2+]CCCOC)c1cccc(C#N)c1O ZINC000924536005 646055885 /nfs/dbraw/zinc/05/58/85/646055885.db2.gz LAGIHIDEJUPMTA-CYBMUJFWSA-N 1 2 248.326 2.341 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)CCSc1ccncc1 ZINC000929470907 646129538 /nfs/dbraw/zinc/12/95/38/646129538.db2.gz AOLLQFHRNDFMGG-LLVKDONJSA-N 1 2 235.356 2.265 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)CCSc1ccncc1 ZINC000929470907 646129547 /nfs/dbraw/zinc/12/95/47/646129547.db2.gz AOLLQFHRNDFMGG-LLVKDONJSA-N 1 2 235.356 2.265 20 30 BEEDLO CC[N@H+](CCC#N)C[C@@H](O)c1cccc(C)c1 ZINC000929775357 646302660 /nfs/dbraw/zinc/30/26/60/646302660.db2.gz XPHKJRXEBILINW-CQSZACIVSA-N 1 2 232.327 2.264 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@@H](O)c1cccc(C)c1 ZINC000929775357 646302663 /nfs/dbraw/zinc/30/26/63/646302663.db2.gz XPHKJRXEBILINW-CQSZACIVSA-N 1 2 232.327 2.264 20 30 BEEDLO CC[N@H+](CCC#N)C[C@H](O)c1cccc(C)c1 ZINC000929775355 646303436 /nfs/dbraw/zinc/30/34/36/646303436.db2.gz XPHKJRXEBILINW-AWEZNQCLSA-N 1 2 232.327 2.264 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@H](O)c1cccc(C)c1 ZINC000929775355 646303439 /nfs/dbraw/zinc/30/34/39/646303439.db2.gz XPHKJRXEBILINW-AWEZNQCLSA-N 1 2 232.327 2.264 20 30 BEEDLO CC[C@@H]([NH2+][C@@H](CC)CO)c1cccc(C#N)c1O ZINC000926231278 646600813 /nfs/dbraw/zinc/60/08/13/646600813.db2.gz BTHIBBGVDXKOAO-WCQYABFASA-N 1 2 248.326 2.075 20 30 BEEDLO C#C[C@H]([NH2+]Cc1nnc(CC)s1)C(C)(C)C ZINC000702672638 711871017 /nfs/dbraw/zinc/87/10/17/711871017.db2.gz ZVSNGVFENANQCY-VIFPVBQESA-N 1 2 237.372 2.238 20 30 BEEDLO C[N@H+](CCC#N)C[C@H]1CCC2(CCC2)CO1 ZINC000716345506 712555695 /nfs/dbraw/zinc/55/56/95/712555695.db2.gz FYILRSLDCMAELN-GFCCVEGCSA-N 1 2 222.332 2.181 20 30 BEEDLO C[N@@H+](CCC#N)C[C@H]1CCC2(CCC2)CO1 ZINC000716345506 712555696 /nfs/dbraw/zinc/55/56/96/712555696.db2.gz FYILRSLDCMAELN-GFCCVEGCSA-N 1 2 222.332 2.181 20 30 BEEDLO C#C[C@@H](CC)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724359268 710739762 /nfs/dbraw/zinc/73/97/62/710739762.db2.gz VWRZSOLWBWZKFL-JTQLQIEISA-N 1 2 220.316 2.474 20 30 BEEDLO Cc1cc(C)[nH+]c(CN2CCC[C@@H](C#N)C2)c1 ZINC000723615018 710728694 /nfs/dbraw/zinc/72/86/94/710728694.db2.gz YWEAGVYJRZRFSU-ZDUSSCGKSA-N 1 2 229.327 2.434 20 30 BEEDLO C=C(Br)C[NH2+]Cc1conc1CC ZINC000382101410 710776021 /nfs/dbraw/zinc/77/60/21/710776021.db2.gz GTKVDXGBKYPFFR-UHFFFAOYSA-N 1 2 245.120 2.235 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC=CCC2)C1 ZINC001042466022 710784700 /nfs/dbraw/zinc/78/47/00/710784700.db2.gz FIFNTKUXVZXHSN-ZDUSSCGKSA-N 1 2 248.370 2.061 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001043535426 710808834 /nfs/dbraw/zinc/80/88/34/710808834.db2.gz WRQJPEDNXWTJEJ-CYBMUJFWSA-N 1 2 248.370 2.061 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001043749374 710812606 /nfs/dbraw/zinc/81/26/06/710812606.db2.gz FFMSEXLDBVMDEX-UHFFFAOYSA-N 1 2 248.370 2.061 20 30 BEEDLO C=C(C)CC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000386840232 711036652 /nfs/dbraw/zinc/03/66/52/711036652.db2.gz XNEQQQVALGEWLF-SNVBAGLBSA-N 1 2 213.321 2.272 20 30 BEEDLO N#C[C@H]1CCC[N@H+](CCOCc2ccccc2)C1 ZINC000390792264 711134411 /nfs/dbraw/zinc/13/44/11/711134411.db2.gz XFJDDANDJYYGQW-OAHLLOKOSA-N 1 2 244.338 2.439 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000390792264 711134412 /nfs/dbraw/zinc/13/44/12/711134412.db2.gz XFJDDANDJYYGQW-OAHLLOKOSA-N 1 2 244.338 2.439 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(Cl)nc1 ZINC000067406410 711451710 /nfs/dbraw/zinc/45/17/10/711451710.db2.gz WHAPUNVRXABJTP-QMMMGPOBSA-N 1 2 209.680 2.127 20 30 BEEDLO C#C[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000382438419 711478548 /nfs/dbraw/zinc/47/85/48/711478548.db2.gz QXOLSNDQLJATAX-ZETCQYMHSA-N 1 2 227.666 2.296 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C(C)(C)C ZINC000723037513 711496995 /nfs/dbraw/zinc/49/69/95/711496995.db2.gz HISHWFZPVOEQIX-UHFFFAOYSA-N 1 2 225.332 2.062 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C(C)(C)C ZINC000723037513 711496998 /nfs/dbraw/zinc/49/69/98/711496998.db2.gz HISHWFZPVOEQIX-UHFFFAOYSA-N 1 2 225.332 2.062 20 30 BEEDLO C#C[C@@H](C)[NH2+]Cc1csc(C2CC2)n1 ZINC000308531619 711525565 /nfs/dbraw/zinc/52/55/65/711525565.db2.gz RWNBZIKHANZSKT-MRVPVSSYSA-N 1 2 206.314 2.132 20 30 BEEDLO C=C(Br)C[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000724142364 711564585 /nfs/dbraw/zinc/56/45/85/711564585.db2.gz TWJPWFPOWVBVJR-DTWKUNHWSA-N 1 2 234.137 2.004 20 30 BEEDLO C=C(Br)C[N@H+](C)[C@H]1CC[C@H]1OC ZINC000724142364 711564588 /nfs/dbraw/zinc/56/45/88/711564588.db2.gz TWJPWFPOWVBVJR-DTWKUNHWSA-N 1 2 234.137 2.004 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708442610 712194673 /nfs/dbraw/zinc/19/46/73/712194673.db2.gz NQZLDJNUKBRLGF-JTQLQIEISA-N 1 2 240.253 2.452 20 30 BEEDLO C=C(C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708560242 712212995 /nfs/dbraw/zinc/21/29/95/712212995.db2.gz WUHRYHXTPNAENC-UHFFFAOYSA-N 1 2 213.227 2.336 20 30 BEEDLO C#Cc1ccc(C[N@@H+](CC)CC(=O)OCC)cc1 ZINC000809553328 712584431 /nfs/dbraw/zinc/58/44/31/712584431.db2.gz UTYALMPCVFIZNH-UHFFFAOYSA-N 1 2 245.322 2.053 20 30 BEEDLO C#Cc1ccc(C[N@H+](CC)CC(=O)OCC)cc1 ZINC000809553328 712584432 /nfs/dbraw/zinc/58/44/32/712584432.db2.gz UTYALMPCVFIZNH-UHFFFAOYSA-N 1 2 245.322 2.053 20 30 BEEDLO C[C@@H]([NH2+]Cc1nncs1)c1ccc(C#N)cc1 ZINC000930203108 712595318 /nfs/dbraw/zinc/59/53/18/712595318.db2.gz RPGSSAUNDIRBKF-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2CCn3cccc3C2)c1 ZINC000932523989 712717525 /nfs/dbraw/zinc/71/75/25/712717525.db2.gz HBWWBMKFAOGWKP-UHFFFAOYSA-N 1 2 237.306 2.376 20 30 BEEDLO N#Cc1cccc(C[N@H+]2CCn3cccc3C2)c1 ZINC000932523989 712717526 /nfs/dbraw/zinc/71/75/26/712717526.db2.gz HBWWBMKFAOGWKP-UHFFFAOYSA-N 1 2 237.306 2.376 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000720811700 712867010 /nfs/dbraw/zinc/86/70/10/712867010.db2.gz JDRBXWHUDBJEBB-ZDUSSCGKSA-N 1 2 242.322 2.357 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000720811700 712867012 /nfs/dbraw/zinc/86/70/12/712867012.db2.gz JDRBXWHUDBJEBB-ZDUSSCGKSA-N 1 2 242.322 2.357 20 30 BEEDLO C=CC[N@H+](C)Cc1ccc(O)c(F)c1F ZINC001140894084 960677863 /nfs/dbraw/zinc/67/78/63/960677863.db2.gz PNXZKRWVASOZPN-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO COc1cc(C)c[nH+]c1NCCCS ZINC001159869845 964215577 /nfs/dbraw/zinc/21/55/77/964215577.db2.gz UFZGPFUMTZPUBR-UHFFFAOYSA-N 1 2 212.318 2.130 20 30 BEEDLO Cc1c[nH+]cc(Nc2cnc(C#N)cn2)c1C ZINC001213523613 1166019724 /nfs/dbraw/zinc/01/97/24/1166019724.db2.gz WURWXVBKZBRWED-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO C[C@@H](C[N@@H+]1CC[C@@](C)(C#N)C1)C(F)(F)F ZINC001208899473 969288962 /nfs/dbraw/zinc/28/89/62/969288962.db2.gz GEROFVCRTBLCIQ-IUCAKERBSA-N 1 2 220.238 2.420 20 30 BEEDLO C[C@@H](C[N@H+]1CC[C@@](C)(C#N)C1)C(F)(F)F ZINC001208899473 969288970 /nfs/dbraw/zinc/28/89/70/969288970.db2.gz GEROFVCRTBLCIQ-IUCAKERBSA-N 1 2 220.238 2.420 20 30 BEEDLO C[C@@H](C[N@@H+]1CC[C@](C)(C#N)C1)C(F)(F)F ZINC001208899471 969293386 /nfs/dbraw/zinc/29/33/86/969293386.db2.gz GEROFVCRTBLCIQ-DTWKUNHWSA-N 1 2 220.238 2.420 20 30 BEEDLO C[C@@H](C[N@H+]1CC[C@](C)(C#N)C1)C(F)(F)F ZINC001208899471 969293390 /nfs/dbraw/zinc/29/33/90/969293390.db2.gz GEROFVCRTBLCIQ-DTWKUNHWSA-N 1 2 220.238 2.420 20 30 BEEDLO N#CCC1C[NH+](CCc2cc(F)cc(F)c2)C1 ZINC001209128165 969352643 /nfs/dbraw/zinc/35/26/43/969352643.db2.gz LVFONNRGVQNXDW-UHFFFAOYSA-N 1 2 236.265 2.353 20 30 BEEDLO Cc1n[nH]cc1C[N@H+](CCC#N)C1CCCC1 ZINC001209556307 969541391 /nfs/dbraw/zinc/54/13/91/969541391.db2.gz TVPUYOATGHTQCT-UHFFFAOYSA-N 1 2 232.331 2.376 20 30 BEEDLO Cc1n[nH]cc1C[N@@H+](CCC#N)C1CCCC1 ZINC001209556307 969541398 /nfs/dbraw/zinc/54/13/98/969541398.db2.gz TVPUYOATGHTQCT-UHFFFAOYSA-N 1 2 232.331 2.376 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@@H](F)C2)C1 ZINC001254660225 969770475 /nfs/dbraw/zinc/77/04/75/969770475.db2.gz GTLKRZADEJZHMY-UTLUCORTSA-N 1 2 232.249 2.358 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)[C@@H](F)C2)C1 ZINC001254660225 969770488 /nfs/dbraw/zinc/77/04/88/969770488.db2.gz GTLKRZADEJZHMY-UTLUCORTSA-N 1 2 232.249 2.358 20 30 BEEDLO C[C@@H]1CC(C[N@@H+]2CCC[C@H]2C#N)C[C@@H](C)O1 ZINC000724865672 1166536195 /nfs/dbraw/zinc/53/61/95/1166536195.db2.gz WXXVYPLKDMKACV-WZRBSPASSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@@H]1CC(C[N@H+]2CCC[C@H]2C#N)C[C@@H](C)O1 ZINC000724865672 1166536201 /nfs/dbraw/zinc/53/62/01/1166536201.db2.gz WXXVYPLKDMKACV-WZRBSPASSA-N 1 2 222.332 2.178 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cncn1CC1CC1 ZINC001255162231 969971388 /nfs/dbraw/zinc/97/13/88/969971388.db2.gz KTDAJCCYPKIOPN-GFCCVEGCSA-N 1 2 232.331 2.075 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173169416 975059986 /nfs/dbraw/zinc/05/99/86/975059986.db2.gz BMQGJHYYUTWLBI-SRVKXCTJSA-N 1 2 210.321 2.082 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc(Cl)ccc1F ZINC001232160620 977899192 /nfs/dbraw/zinc/89/91/92/977899192.db2.gz VIXRFAVBMRPRDQ-UHFFFAOYSA-N 1 2 214.671 2.492 20 30 BEEDLO C=CC[N@H+](C)Cc1nc(Cl)ccc1F ZINC001232160620 977899195 /nfs/dbraw/zinc/89/91/95/977899195.db2.gz VIXRFAVBMRPRDQ-UHFFFAOYSA-N 1 2 214.671 2.492 20 30 BEEDLO C=CCN(CCOC)c1cc(F)cc(C)[nH+]1 ZINC001339686567 978892402 /nfs/dbraw/zinc/89/24/02/978892402.db2.gz KTJNAAOGMVFZIB-UHFFFAOYSA-N 1 2 224.279 2.168 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc(F)c(C#N)c1 ZINC001235893186 979184472 /nfs/dbraw/zinc/18/44/72/979184472.db2.gz HJZQFWYOMYNOHA-UHFFFAOYSA-N 1 2 201.204 2.098 20 30 BEEDLO CCCn1cncc1C[NH2+][C@@H](CC)CC#N ZINC000085186526 981639238 /nfs/dbraw/zinc/63/92/38/981639238.db2.gz VTKPLSUYPDJGOA-NSHDSACASA-N 1 2 220.320 2.075 20 30 BEEDLO N#Cc1csc(C[N@@H+]2C[C@H]3CCCC[C@H]32)n1 ZINC001195834535 982360115 /nfs/dbraw/zinc/36/01/15/982360115.db2.gz QLOUJBKYNJTSKN-MWLCHTKSSA-N 1 2 233.340 2.389 20 30 BEEDLO N#Cc1csc(C[N@H+]2C[C@H]3CCCC[C@H]32)n1 ZINC001195834535 982360122 /nfs/dbraw/zinc/36/01/22/982360122.db2.gz QLOUJBKYNJTSKN-MWLCHTKSSA-N 1 2 233.340 2.389 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1cccnc1 ZINC001201633796 983361295 /nfs/dbraw/zinc/36/12/95/983361295.db2.gz LTPLAWMUGVFFAC-UHFFFAOYSA-N 1 2 203.289 2.207 20 30 BEEDLO CCOCC[C@@H](C)[NH2+]C(C#N)(CC)CC ZINC001172415854 974686145 /nfs/dbraw/zinc/68/61/45/974686145.db2.gz AEVMOPZFUDGOKQ-LLVKDONJSA-N 1 2 212.337 2.473 20 30 BEEDLO C#CCOc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001138557749 1169360439 /nfs/dbraw/zinc/36/04/39/1169360439.db2.gz QBWYCKXFVYUZMN-CQSZACIVSA-N 1 2 240.306 2.044 20 30 BEEDLO C#CCOc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001138557749 1169360444 /nfs/dbraw/zinc/36/04/44/1169360444.db2.gz QBWYCKXFVYUZMN-CQSZACIVSA-N 1 2 240.306 2.044 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256964975 971035176 /nfs/dbraw/zinc/03/51/76/971035176.db2.gz JCRCTUDJACZJJI-MCIGGMRASA-N 1 2 203.289 2.057 20 30 BEEDLO N#C[C@@H]1CCC[N@H+]1C1CCC(C#N)CC1 ZINC001256964975 971035186 /nfs/dbraw/zinc/03/51/86/971035186.db2.gz JCRCTUDJACZJJI-MCIGGMRASA-N 1 2 203.289 2.057 20 30 BEEDLO N#CC1CCC([N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001256970340 971051603 /nfs/dbraw/zinc/05/16/03/971051603.db2.gz YUPBZRBSRIPHRJ-WXRRBKDZSA-N 1 2 217.316 2.447 20 30 BEEDLO N#CC1CCC([N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001256970340 971051612 /nfs/dbraw/zinc/05/16/12/971051612.db2.gz YUPBZRBSRIPHRJ-WXRRBKDZSA-N 1 2 217.316 2.447 20 30 BEEDLO C[C@@H]1C[C@@H]([NH2+]C2(C#N)CCCC2)C[C@H](C)O1 ZINC001257078046 971093246 /nfs/dbraw/zinc/09/32/46/971093246.db2.gz UJURRKJGJRXQCS-ZSBIGDGJSA-N 1 2 222.332 2.368 20 30 BEEDLO C[C@@H](CCN1CC[NH2+]C[C@@H]1C#N)CC(C)(C)C ZINC001210120276 1169519517 /nfs/dbraw/zinc/51/95/17/1169519517.db2.gz BVLGSAMJNAYHIV-STQMWFEESA-N 1 2 237.391 2.246 20 30 BEEDLO CCC[C@@H](CC)[NH2+][C@@H](CS)C(=O)OCC ZINC001257244551 971136742 /nfs/dbraw/zinc/13/67/42/971136742.db2.gz QTOOVCCQMKQWCP-ZJUUUORDSA-N 1 2 233.377 2.016 20 30 BEEDLO C=C[C@@H]1C[C@]1([NH2+][C@H](C)CCC)C(=O)OCC ZINC001257310002 971201909 /nfs/dbraw/zinc/20/19/09/971201909.db2.gz OOCFHFKGZDDKPJ-NQBHXWOUSA-N 1 2 225.332 2.272 20 30 BEEDLO CCC[C@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001257316613 971212519 /nfs/dbraw/zinc/21/25/19/971212519.db2.gz GIZWAUZOKJEZIZ-GXSJLCMTSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257316613 971212527 /nfs/dbraw/zinc/21/25/27/971212527.db2.gz GIZWAUZOKJEZIZ-GXSJLCMTSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC[C@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257316613 971212534 /nfs/dbraw/zinc/21/25/34/971212534.db2.gz GIZWAUZOKJEZIZ-GXSJLCMTSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC[C@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257316613 971212540 /nfs/dbraw/zinc/21/25/40/971212540.db2.gz GIZWAUZOKJEZIZ-GXSJLCMTSA-N 1 2 225.357 2.449 20 30 BEEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCCCC1)C(=O)OCC ZINC001257452349 971371251 /nfs/dbraw/zinc/37/12/51/971371251.db2.gz QZYZUYORHRERPH-FZMZJTMJSA-N 1 2 237.343 2.417 20 30 BEEDLO CC(C)C[C@](C)(C#N)[NH2+][C@H]1CCCOCC1 ZINC001170801505 971846382 /nfs/dbraw/zinc/84/63/82/971846382.db2.gz WLUVRUUKPCQLLD-QWHCGFSZSA-N 1 2 224.348 2.473 20 30 BEEDLO Cn1c[nH+]c2ccc(NCCCS)cc21 ZINC001171004307 972230457 /nfs/dbraw/zinc/23/04/57/972230457.db2.gz YKQLOVGSLJSACW-UHFFFAOYSA-N 1 2 221.329 2.305 20 30 BEEDLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000705284952 957071216 /nfs/dbraw/zinc/07/12/16/957071216.db2.gz KEPRVUNFRVLTAN-YGRLFVJLSA-N 1 2 248.301 2.043 20 30 BEEDLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000705284952 957071225 /nfs/dbraw/zinc/07/12/25/957071225.db2.gz KEPRVUNFRVLTAN-YGRLFVJLSA-N 1 2 248.301 2.043 20 30 BEEDLO C#Cc1cc(Nc2cccc(F)c2OC)cc[nH+]1 ZINC001210399281 957742379 /nfs/dbraw/zinc/74/23/79/957742379.db2.gz POTWODCAAIOABY-UHFFFAOYSA-N 1 2 242.253 2.376 20 30 BEEDLO COc1cc(Nc2cc(C#N)ccn2)cc(C)[nH+]1 ZINC001210775625 957874193 /nfs/dbraw/zinc/87/41/93/957874193.db2.gz HYQPPTKSNMPNRK-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000308264533 958365164 /nfs/dbraw/zinc/36/51/64/958365164.db2.gz PEMAXQNVVHCWDC-YUMQZZPRSA-N 1 2 221.131 2.272 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000308264533 958365177 /nfs/dbraw/zinc/36/51/77/958365177.db2.gz PEMAXQNVVHCWDC-YUMQZZPRSA-N 1 2 221.131 2.272 20 30 BEEDLO C=CCC(CC=C)OCCn1cc[nH+]c1 ZINC001222135126 972382302 /nfs/dbraw/zinc/38/23/02/972382302.db2.gz WGEUNEDVMNTAGY-UHFFFAOYSA-N 1 2 206.289 2.421 20 30 BEEDLO Nc1cc(CNc2cccc(/C=N/O)c2)cc[nH+]1 ZINC001167617172 959085854 /nfs/dbraw/zinc/08/58/54/959085854.db2.gz WKJCYKUQCXIRSC-RQZCQDPDSA-N 1 2 242.282 2.084 20 30 BEEDLO Cc1nc(NCCc2ccc(C#N)cc2)cc[nH+]1 ZINC001167679020 959689497 /nfs/dbraw/zinc/68/94/97/959689497.db2.gz IBFOSRLVZPDNQZ-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO C=CC[C@@H](C)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001144011714 972475957 /nfs/dbraw/zinc/47/59/57/972475957.db2.gz CRONWVGQMFCYNS-SNVBAGLBSA-N 1 2 230.311 2.143 20 30 BEEDLO C=CC[NH+]1CC(NC(=O)C[C@H](C)CC(C)C)C1 ZINC001267667266 960187245 /nfs/dbraw/zinc/18/72/45/960187245.db2.gz QWLUQABCTOHUIW-GFCCVEGCSA-N 1 2 238.375 2.045 20 30 BEEDLO C=CC[C@H](C)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001144029564 972516222 /nfs/dbraw/zinc/51/62/22/972516222.db2.gz XXPDIZYVMORUNC-NSHDSACASA-N 1 2 247.342 2.437 20 30 BEEDLO C=CC[N@@H+](C)Cc1ccc(O)c(F)c1F ZINC001140894084 960677849 /nfs/dbraw/zinc/67/78/49/960677849.db2.gz PNXZKRWVASOZPN-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO N#Cc1cnc2nc(Cl)ccc2c1NC=[NH2+] ZINC001167863557 961324976 /nfs/dbraw/zinc/32/49/76/961324976.db2.gz DLEDVXSRGAQMHO-UHFFFAOYSA-N 1 2 231.646 2.174 20 30 BEEDLO N#C[C@H]1CCCN(Cc2ccc3[nH+]ccn3c2)C1 ZINC001143028021 961869317 /nfs/dbraw/zinc/86/93/17/961869317.db2.gz VFYZDJPRVPXLAT-GFCCVEGCSA-N 1 2 240.310 2.070 20 30 BEEDLO Cc1c[nH+]c(NC[C@H]2CCCCO2)c(/C=N/O)c1 ZINC001156378422 963327506 /nfs/dbraw/zinc/32/75/06/963327506.db2.gz ZLRYJFRQMOHFFD-GGNJANJASA-N 1 2 249.314 2.179 20 30 BEEDLO CCC(C#N)(CC)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168101673 963711237 /nfs/dbraw/zinc/71/12/37/963711237.db2.gz IYSXHXZBAXTOHI-QWRGUYRKSA-N 1 2 210.321 2.226 20 30 BEEDLO CCC(C#N)(CC)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168101675 963712418 /nfs/dbraw/zinc/71/24/18/963712418.db2.gz IYSXHXZBAXTOHI-WDEREUQCSA-N 1 2 210.321 2.226 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168103931 963720994 /nfs/dbraw/zinc/72/09/94/963720994.db2.gz TXYXNHBHELLIMU-QJPTWQEYSA-N 1 2 210.321 2.226 20 30 BEEDLO CC(C)(S)CNc1ccc(Cl)c(N)[nH+]1 ZINC001159269889 964050554 /nfs/dbraw/zinc/05/05/54/964050554.db2.gz ZCUKMKGSCOLPAY-UHFFFAOYSA-N 1 2 231.752 2.438 20 30 BEEDLO CCN(CC)c1cc(NCCCS)[nH+]cn1 ZINC001159869542 964217163 /nfs/dbraw/zinc/21/71/63/964217163.db2.gz JMCWVCYLNABNIS-UHFFFAOYSA-N 1 2 240.376 2.055 20 30 BEEDLO CCN(CC)c1cc(NCCCS)nc[nH+]1 ZINC001159869542 964217171 /nfs/dbraw/zinc/21/71/71/964217171.db2.gz JMCWVCYLNABNIS-UHFFFAOYSA-N 1 2 240.376 2.055 20 30 BEEDLO Cc1c[nH+]c(N[C@@H](C#N)CC(C)C)cc1N ZINC001160362735 964289486 /nfs/dbraw/zinc/28/94/86/964289486.db2.gz IRYNFJKMPSDVSM-SNVBAGLBSA-N 1 2 218.304 2.322 20 30 BEEDLO N=C(Nc1c[nH+]cc2cc[nH]c21)c1nccs1 ZINC001168279327 964315735 /nfs/dbraw/zinc/31/57/35/964315735.db2.gz ODORDLHDAKJUTA-UHFFFAOYSA-N 1 2 243.295 2.056 20 30 BEEDLO Cc1cn2cccc(Nc3ccncc3C#N)c2[nH+]1 ZINC001214004628 964921762 /nfs/dbraw/zinc/92/17/62/964921762.db2.gz LFRCIXXLRCKDSB-UHFFFAOYSA-N 1 2 249.277 2.075 20 30 BEEDLO C#CCCCNc1[nH+]cc(OC)c2cc[nH]c21 ZINC001162440103 964978587 /nfs/dbraw/zinc/97/85/87/964978587.db2.gz NTKLROPXCCKQNJ-UHFFFAOYSA-N 1 2 229.283 2.397 20 30 BEEDLO CC(C)C[C@](C)(C#N)Nc1cc(N)cc[nH+]1 ZINC001162516232 965013164 /nfs/dbraw/zinc/01/31/64/965013164.db2.gz CBAVACOBBURHGK-GFCCVEGCSA-N 1 2 218.304 2.404 20 30 BEEDLO N#CC1(c2cc[nH+]c(NCC3CC(=O)C3)c2)CC1 ZINC001168393339 965129017 /nfs/dbraw/zinc/12/90/17/965129017.db2.gz XDUJVWIZFDLREF-UHFFFAOYSA-N 1 2 241.294 2.028 20 30 BEEDLO N#CCc1cc[nH+]c(NCc2ccc(N)cc2)c1 ZINC001162785387 965169063 /nfs/dbraw/zinc/16/90/63/965169063.db2.gz BUWNEKMMDMVFGN-UHFFFAOYSA-N 1 2 238.294 2.342 20 30 BEEDLO C[N@H+](Cc1[nH]ccc1C#N)Cc1ccccc1O ZINC001233047675 965461094 /nfs/dbraw/zinc/46/10/94/965461094.db2.gz IGUJMLISITVZQB-UHFFFAOYSA-N 1 2 241.294 2.224 20 30 BEEDLO C[N@@H+](Cc1[nH]ccc1C#N)Cc1ccccc1O ZINC001233047675 965461110 /nfs/dbraw/zinc/46/11/10/965461110.db2.gz IGUJMLISITVZQB-UHFFFAOYSA-N 1 2 241.294 2.224 20 30 BEEDLO CC1(C)CN(c2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001163727229 965538982 /nfs/dbraw/zinc/53/89/82/965538982.db2.gz MEYYNBKMOGYAFM-UHFFFAOYSA-N 1 2 226.283 2.281 20 30 BEEDLO Cc1ccc(CC#N)c(N2CCCC(=O)CC2)[nH+]1 ZINC001165465373 966103471 /nfs/dbraw/zinc/10/34/71/966103471.db2.gz HDFFGFOPHABALQ-UHFFFAOYSA-N 1 2 243.310 2.016 20 30 BEEDLO N#Cc1ncnc2ccc(-c3ccc(N)[nH+]c3)cc12 ZINC001236313079 966362611 /nfs/dbraw/zinc/36/26/11/966362611.db2.gz GLTFTSBDNNGIHT-UHFFFAOYSA-N 1 2 247.261 2.146 20 30 BEEDLO C#Cc1cc(Nc2cc(O)ccc2C)cc[nH+]1 ZINC001214338894 966483915 /nfs/dbraw/zinc/48/39/15/966483915.db2.gz FPOLKNAXRGXALT-UHFFFAOYSA-N 1 2 224.263 2.242 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](CC2OC=CC2=S)C1 ZINC001237186848 966645806 /nfs/dbraw/zinc/64/58/06/966645806.db2.gz TZOVDLWZPGAZEW-NSHDSACASA-N 1 2 222.313 2.304 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](CC2OC=CC2=S)C1 ZINC001237186848 966645813 /nfs/dbraw/zinc/64/58/13/966645813.db2.gz TZOVDLWZPGAZEW-NSHDSACASA-N 1 2 222.313 2.304 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC001203521133 966675205 /nfs/dbraw/zinc/67/52/05/966675205.db2.gz DVMLICNKKNYHGV-NSHDSACASA-N 1 2 232.331 2.075 20 30 BEEDLO Cc1c[nH+]c(C)c(Nc2cn(C)nc2C#N)c1 ZINC001203656929 966713916 /nfs/dbraw/zinc/71/39/16/966713916.db2.gz DHPPEKRDEJMCSA-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)cc1 ZINC001203899779 966815120 /nfs/dbraw/zinc/81/51/20/966815120.db2.gz BFRHCYWTTMNHOK-ZDUSSCGKSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)cc1 ZINC001203899779 966815121 /nfs/dbraw/zinc/81/51/21/966815121.db2.gz BFRHCYWTTMNHOK-ZDUSSCGKSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC3(C2)CCCCO3)cc1 ZINC001203900168 966818652 /nfs/dbraw/zinc/81/86/52/966818652.db2.gz STZNSHKEWXDGQC-UHFFFAOYSA-N 1 2 242.322 2.313 20 30 BEEDLO O=C1C=C2C[N@@H+](Cc3ccoc3)CC[C@H]2S1 ZINC001204242091 966937395 /nfs/dbraw/zinc/93/73/95/966937395.db2.gz SUVKMLGIQYESHD-LLVKDONJSA-N 1 2 235.308 2.054 20 30 BEEDLO N#Cc1ccccc1C[NH+]1CC2(CSC2)C1 ZINC001204373209 966987251 /nfs/dbraw/zinc/98/72/51/966987251.db2.gz QIWJPEIAMJZAPA-UHFFFAOYSA-N 1 2 230.336 2.107 20 30 BEEDLO C=CCc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001249953076 967195745 /nfs/dbraw/zinc/19/57/45/967195745.db2.gz VGWNHAMOFKZSSH-UHFFFAOYSA-N 1 2 247.338 2.126 20 30 BEEDLO Cc1nc(C#N)c(Nc2ccn3cc[nH+]c3c2)o1 ZINC001204966486 967267216 /nfs/dbraw/zinc/26/72/16/967267216.db2.gz VDSOCMMRJFRQQZ-UHFFFAOYSA-N 1 2 239.238 2.246 20 30 BEEDLO C[C@@H]1CC(=O)C=C(CCn2cc[nH+]c2)C1 ZINC001250318999 967694063 /nfs/dbraw/zinc/69/40/63/967694063.db2.gz OWHBUICGOSIJMY-JTQLQIEISA-N 1 2 204.273 2.199 20 30 BEEDLO Fc1cccnc1C[NH2+]CC#Cc1ccccc1 ZINC001205645474 967743285 /nfs/dbraw/zinc/74/32/85/967743285.db2.gz ICHGTALDYZDSSN-UHFFFAOYSA-N 1 2 240.281 2.362 20 30 BEEDLO C#CCNc1cc(C)c(C(F)(F)F)c[nH+]1 ZINC001163363098 968025965 /nfs/dbraw/zinc/02/59/65/968025965.db2.gz FYFABEKYYUFHMG-UHFFFAOYSA-N 1 2 214.190 2.454 20 30 BEEDLO Cc1[nH+]c(N2CCC(=O)C[C@@H]2C)ccc1CC#N ZINC001166936243 968397067 /nfs/dbraw/zinc/39/70/67/968397067.db2.gz IXXATHFGMFDRNC-JTQLQIEISA-N 1 2 243.310 2.014 20 30 BEEDLO C=C[C@@H](COC)[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC001119702168 968458920 /nfs/dbraw/zinc/45/89/20/968458920.db2.gz YZDIKKVBHTXLGS-WDEREUQCSA-N 1 2 236.315 2.151 20 30 BEEDLO CCOCC[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000823330651 968543787 /nfs/dbraw/zinc/54/37/87/968543787.db2.gz RXAHVLOPUSLDBK-CYBMUJFWSA-N 1 2 248.326 2.341 20 30 BEEDLO C=C(C)C[C@@H]([NH2+]CCSC(C)C)C(=O)OC ZINC001207128231 968646205 /nfs/dbraw/zinc/64/62/05/968646205.db2.gz AVMKVBKQBVCILJ-LLVKDONJSA-N 1 2 245.388 2.225 20 30 BEEDLO CCCCNc1[nH+]cc(C)cc1/C=N/O ZINC001154828356 968683163 /nfs/dbraw/zinc/68/31/63/968683163.db2.gz YGUKJTBEKNXMTC-RIYZIHGNSA-N 1 2 207.277 2.410 20 30 BEEDLO CC1(C#N)C[NH+](C[C@@H]2CCOC(C)(C)C2)C1 ZINC001207353613 968730857 /nfs/dbraw/zinc/73/08/57/968730857.db2.gz OKQBAIAUICTZQJ-LLVKDONJSA-N 1 2 222.332 2.037 20 30 BEEDLO C=C[C@@](C)(O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001252565865 968816871 /nfs/dbraw/zinc/81/68/71/968816871.db2.gz YOSSDDLNYSMIRE-CQSZACIVSA-N 1 2 243.310 2.426 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001252590004 968845036 /nfs/dbraw/zinc/84/50/36/968845036.db2.gz WPBRPKUANYAOIR-LLVKDONJSA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001252590004 968845041 /nfs/dbraw/zinc/84/50/41/968845041.db2.gz WPBRPKUANYAOIR-LLVKDONJSA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCC[C@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001252593401 968851299 /nfs/dbraw/zinc/85/12/99/968851299.db2.gz HXZPCOHSRJMMGD-LBPRGKRZSA-N 1 2 231.299 2.073 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001252601981 968858516 /nfs/dbraw/zinc/85/85/16/968858516.db2.gz HXZXJVQTSUBSOM-AWEZNQCLSA-N 1 2 247.338 2.128 20 30 BEEDLO C=CCC[C@H](O)C[N@H+](C)CC(=O)c1ccccc1 ZINC001252601981 968858521 /nfs/dbraw/zinc/85/85/21/968858521.db2.gz HXZXJVQTSUBSOM-AWEZNQCLSA-N 1 2 247.338 2.128 20 30 BEEDLO C=C(C)CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001207824426 968892514 /nfs/dbraw/zinc/89/25/14/968892514.db2.gz BEWMCKKNEZSABP-UHFFFAOYSA-N 1 2 244.298 2.422 20 30 BEEDLO N#Cc1cc(C#N)cc(-c2cc[nH+]c(N)c2)c1 ZINC001241170560 968943968 /nfs/dbraw/zinc/94/39/68/968943968.db2.gz NXCINQNHWADTEI-UHFFFAOYSA-N 1 2 220.235 2.074 20 30 BEEDLO CC1=C[C@@H](C)[C@H](C[NH+]2CC(C#N)C2)CC1 ZINC001208166129 969099921 /nfs/dbraw/zinc/09/99/21/969099921.db2.gz VVGXYRWITBYQDP-YPMHNXCESA-N 1 2 204.317 2.434 20 30 BEEDLO C=C[C@@H](O)CNc1cc[nH+]c(OCCCC)c1 ZINC001253574152 969248721 /nfs/dbraw/zinc/24/87/21/969248721.db2.gz UREXKVOQHNLTNF-GFCCVEGCSA-N 1 2 236.315 2.219 20 30 BEEDLO COc1cc[nH+]c(Nc2ccc(C#N)nc2)c1 ZINC001209517385 969531458 /nfs/dbraw/zinc/53/14/58/969531458.db2.gz FUHGGAPXUOACHI-UHFFFAOYSA-N 1 2 226.239 2.100 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)[nH]1 ZINC001209571478 969553861 /nfs/dbraw/zinc/55/38/61/969553861.db2.gz GDRPQPFCFCCMGG-GFCCVEGCSA-N 1 2 248.351 2.097 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)[nH]1 ZINC001209571478 969553867 /nfs/dbraw/zinc/55/38/67/969553867.db2.gz GDRPQPFCFCCMGG-GFCCVEGCSA-N 1 2 248.351 2.097 20 30 BEEDLO CCOc1cc[nH+]cc1Nc1cccnc1C#N ZINC001210142131 969811067 /nfs/dbraw/zinc/81/10/67/969811067.db2.gz QODZGUMELNAELT-UHFFFAOYSA-N 1 2 240.266 2.491 20 30 BEEDLO CC(C)C[C@H](C#N)[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254925345 969824563 /nfs/dbraw/zinc/82/45/63/969824563.db2.gz ANPIREQUKRQECZ-NQBHXWOUSA-N 1 2 234.343 2.272 20 30 BEEDLO C#C[C@](C)(CC)Nc1ccc(N(C)C)c[nH+]1 ZINC001169701641 969827273 /nfs/dbraw/zinc/82/72/73/969827273.db2.gz PQERRPHKZYLVHV-CYBMUJFWSA-N 1 2 217.316 2.361 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254938893 969830116 /nfs/dbraw/zinc/83/01/16/969830116.db2.gz LMHGUXPQOFQQCT-JTNHKYCSSA-N 1 2 234.343 2.416 20 30 BEEDLO Cc1[nH+]cc(Nc2c(N)cccc2C#N)cc1N ZINC001210290692 969858929 /nfs/dbraw/zinc/85/89/29/969858929.db2.gz DSYHDOOSRGEABU-UHFFFAOYSA-N 1 2 239.282 2.170 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]C1(CC#N)CCCC1 ZINC001255163703 969944508 /nfs/dbraw/zinc/94/45/08/969944508.db2.gz CLYGHXBZOKDZRP-NSHDSACASA-N 1 2 205.305 2.495 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H](CO)c1ccc(OC)cc1 ZINC001255156333 969965795 /nfs/dbraw/zinc/96/57/95/969965795.db2.gz ZXYPANOAMBJBDV-TZMCWYRMSA-N 1 2 248.326 2.010 20 30 BEEDLO CC[C@H](CC#N)[N@@H+]1CCc2c(O)cccc2C1 ZINC001255167258 969979693 /nfs/dbraw/zinc/97/96/93/969979693.db2.gz WRYLPRLNDOLIHR-GFCCVEGCSA-N 1 2 230.311 2.443 20 30 BEEDLO CC[C@H](CC#N)[N@H+]1CCc2c(O)cccc2C1 ZINC001255167258 969979699 /nfs/dbraw/zinc/97/96/99/969979699.db2.gz WRYLPRLNDOLIHR-GFCCVEGCSA-N 1 2 230.311 2.443 20 30 BEEDLO CC[C@H](CC#N)[N@@H+]1CCc2cc(O)ccc2C1 ZINC001255167318 969981354 /nfs/dbraw/zinc/98/13/54/969981354.db2.gz YINMPPIVRGNVRS-CYBMUJFWSA-N 1 2 230.311 2.443 20 30 BEEDLO CC[C@H](CC#N)[N@H+]1CCc2cc(O)ccc2C1 ZINC001255167318 969981359 /nfs/dbraw/zinc/98/13/59/969981359.db2.gz YINMPPIVRGNVRS-CYBMUJFWSA-N 1 2 230.311 2.443 20 30 BEEDLO CC[C@@H](CC#N)N1CC[NH+](Cc2ccco2)CC1 ZINC001255171808 969981755 /nfs/dbraw/zinc/98/17/55/969981755.db2.gz BOAMIXIVFFVGHG-ZDUSSCGKSA-N 1 2 247.342 2.089 20 30 BEEDLO C#Cc1cc(Nc2cncc(OCC)c2)cc[nH+]1 ZINC001210659597 969992391 /nfs/dbraw/zinc/99/23/91/969992391.db2.gz NJEISJMZVHSAQD-UHFFFAOYSA-N 1 2 239.278 2.022 20 30 BEEDLO CCOC(=O)C1CCC([NH2+]C(C)(C)C#N)CC1 ZINC001255250118 970015133 /nfs/dbraw/zinc/01/51/33/970015133.db2.gz YKPJXBKQZQIGJI-UHFFFAOYSA-N 1 2 238.331 2.000 20 30 BEEDLO C[C@@H]1CC(=O)C=C(Nc2cn(CCF)c[nH+]2)C1 ZINC001210771757 970023634 /nfs/dbraw/zinc/02/36/34/970023634.db2.gz RFZBOXAPYVFTPA-VIFPVBQESA-N 1 2 237.278 2.147 20 30 BEEDLO COc1ccc(-c2c[nH+]cn2C)cc1CC#N ZINC001243069002 970260220 /nfs/dbraw/zinc/26/02/20/970260220.db2.gz MBQOWUMKPAQSRX-UHFFFAOYSA-N 1 2 227.267 2.162 20 30 BEEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CC[C@H](C)C1)C(=O)OCC ZINC001170110342 970318045 /nfs/dbraw/zinc/31/80/45/970318045.db2.gz XGRMMDYFWDTGGB-FMCLSXCISA-N 1 2 237.343 2.272 20 30 BEEDLO Cc1cc(C)c(Nc2cnn(C)c2C#N)c[nH+]1 ZINC001213510999 970330515 /nfs/dbraw/zinc/33/05/15/970330515.db2.gz QKYPIFQCLCUSRP-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO Cc1cn2c(cccc2Nc2ccncc2C#N)[nH+]1 ZINC001214002463 970410123 /nfs/dbraw/zinc/41/01/23/970410123.db2.gz POPUYEKDHNTAEH-UHFFFAOYSA-N 1 2 249.277 2.075 20 30 BEEDLO CSc1cc(Nc2ccncc2C#N)cc[nH+]1 ZINC001214009841 970411714 /nfs/dbraw/zinc/41/17/14/970411714.db2.gz NLOFJGOVQQZJTF-UHFFFAOYSA-N 1 2 242.307 2.236 20 30 BEEDLO C#Cc1cc(Nc2ccc(C)cc2N)cc[nH+]1 ZINC001214177781 970448876 /nfs/dbraw/zinc/44/88/76/970448876.db2.gz LWVOLQGICNQQAX-UHFFFAOYSA-N 1 2 223.279 2.119 20 30 BEEDLO C=CCCCNc1ccc(CNC(C)=O)c[nH+]1 ZINC001170298902 970681665 /nfs/dbraw/zinc/68/16/65/970681665.db2.gz UTNXFZIVWMLJFT-UHFFFAOYSA-N 1 2 233.315 2.096 20 30 BEEDLO C#Cc1ccc(C[N@H+]2CCC(=O)C[C@H]2C)cc1 ZINC001144568134 972873483 /nfs/dbraw/zinc/87/34/83/972873483.db2.gz MJVFFXXOUMKJFS-GFCCVEGCSA-N 1 2 227.307 2.221 20 30 BEEDLO C#Cc1ccc(C[N@@H+]2CCC(=O)C[C@H]2C)cc1 ZINC001144568134 972873486 /nfs/dbraw/zinc/87/34/86/972873486.db2.gz MJVFFXXOUMKJFS-GFCCVEGCSA-N 1 2 227.307 2.221 20 30 BEEDLO COc1ccc[nH+]c1NCc1ncc(C#N)s1 ZINC001161003634 973312467 /nfs/dbraw/zinc/31/24/67/973312467.db2.gz MZLDOBLWCHMMHY-UHFFFAOYSA-N 1 2 246.295 2.030 20 30 BEEDLO C=C(Cl)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001147303883 973503191 /nfs/dbraw/zinc/50/31/91/973503191.db2.gz FEHQGMRABSZXHA-UHFFFAOYSA-N 1 2 235.674 2.045 20 30 BEEDLO CCOC(=[NH2+])CCCCO[C@H]1C=CC(=O)C1 ZINC001224967569 974110052 /nfs/dbraw/zinc/11/00/52/974110052.db2.gz WYLREASKDKYXFH-NSHDSACASA-N 1 2 225.288 2.085 20 30 BEEDLO C=CC[C@@H]([NH2+][C@H]1CCC12CCC2)C(=O)OCC ZINC001330640091 974381574 /nfs/dbraw/zinc/38/15/74/974381574.db2.gz XWDZTZUOZROFAR-NEPJUHHUSA-N 1 2 237.343 2.417 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218980 974447679 /nfs/dbraw/zinc/44/76/79/974447679.db2.gz GZKRNTLQYPGWQL-PSEXLTFBSA-N 1 2 222.332 2.224 20 30 BEEDLO N#CC1([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC001172219437 974447920 /nfs/dbraw/zinc/44/79/20/974447920.db2.gz QRTNIZCCTIYJQA-YOGCLGLASA-N 1 2 220.316 2.122 20 30 BEEDLO CCOCC[C@@H](C)[NH2+][C@@](C)(C#N)C(C)C ZINC001172409648 974671021 /nfs/dbraw/zinc/67/10/21/974671021.db2.gz ANGWELHAMCLREQ-NEPJUHHUSA-N 1 2 212.337 2.329 20 30 BEEDLO C#CC[N@H+](CC1CC1)[C@@H](C)c1nc(CC)no1 ZINC001331329773 974684964 /nfs/dbraw/zinc/68/49/64/974684964.db2.gz KPMXOUGVIAWCRE-JTQLQIEISA-N 1 2 233.315 2.038 20 30 BEEDLO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nc(CC)no1 ZINC001331329773 974684971 /nfs/dbraw/zinc/68/49/71/974684971.db2.gz KPMXOUGVIAWCRE-JTQLQIEISA-N 1 2 233.315 2.038 20 30 BEEDLO C[C@@H](CCCC#N)[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001172491141 974836668 /nfs/dbraw/zinc/83/66/68/974836668.db2.gz CCVJGAUNMKDNQN-WDEREUQCSA-N 1 2 246.301 2.018 20 30 BEEDLO C[C@@H](CCCC#N)[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001172493656 974841317 /nfs/dbraw/zinc/84/13/17/974841317.db2.gz NIYBXJJLGWBMDJ-QWRGUYRKSA-N 1 2 246.301 2.161 20 30 BEEDLO C[C@@H](CCCC#N)[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001172493656 974841319 /nfs/dbraw/zinc/84/13/19/974841319.db2.gz NIYBXJJLGWBMDJ-QWRGUYRKSA-N 1 2 246.301 2.161 20 30 BEEDLO C[C@H](CCCC#N)[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001172493654 974843115 /nfs/dbraw/zinc/84/31/15/974843115.db2.gz NIYBXJJLGWBMDJ-GHMZBOCLSA-N 1 2 246.301 2.161 20 30 BEEDLO C[C@H](CCCC#N)[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001172493654 974843119 /nfs/dbraw/zinc/84/31/19/974843119.db2.gz NIYBXJJLGWBMDJ-GHMZBOCLSA-N 1 2 246.301 2.161 20 30 BEEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173170674 975062848 /nfs/dbraw/zinc/06/28/48/975062848.db2.gz FPCNUHMFMZTAIQ-XQQFMLRXSA-N 1 2 224.348 2.472 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CC[C@H](CC)C1 ZINC001173264150 975120903 /nfs/dbraw/zinc/12/09/03/975120903.db2.gz LXZAXVUREBCOEE-DCAQKATOSA-N 1 2 245.388 2.016 20 30 BEEDLO Cc1nc(C[N@@H+](C)C2CCC(CC#N)CC2)no1 ZINC001173331007 975280694 /nfs/dbraw/zinc/28/06/94/975280694.db2.gz JLYMCQFMQNRSDD-UHFFFAOYSA-N 1 2 248.330 2.282 20 30 BEEDLO Cc1nc(C[N@H+](C)C2CCC(CC#N)CC2)no1 ZINC001173331007 975280701 /nfs/dbraw/zinc/28/07/01/975280701.db2.gz JLYMCQFMQNRSDD-UHFFFAOYSA-N 1 2 248.330 2.282 20 30 BEEDLO C=CC[N@@H+](CCOC)[C@H](C)c1snnc1C ZINC001333014196 975370809 /nfs/dbraw/zinc/37/08/09/975370809.db2.gz QGCGHAIPWZAEIM-SNVBAGLBSA-N 1 2 241.360 2.042 20 30 BEEDLO C=CC[N@H+](CCOC)[C@H](C)c1snnc1C ZINC001333014196 975370819 /nfs/dbraw/zinc/37/08/19/975370819.db2.gz QGCGHAIPWZAEIM-SNVBAGLBSA-N 1 2 241.360 2.042 20 30 BEEDLO CC[C@@H](C#N)[NH2+][C@H](C)CCCCC(=O)OC ZINC001173442140 975377393 /nfs/dbraw/zinc/37/73/93/975377393.db2.gz GYUALSZYKLXGID-MNOVXSKESA-N 1 2 226.320 2.000 20 30 BEEDLO C[C@@H](C#N)[N@H+](C)C1CCC(C)(C#N)CC1 ZINC001173601403 975478136 /nfs/dbraw/zinc/47/81/36/975478136.db2.gz SHFVROPIPFMTJK-UNXYVOJBSA-N 1 2 205.305 2.303 20 30 BEEDLO C[C@@H](C#N)[N@@H+](C)C1CCC(C)(C#N)CC1 ZINC001173601403 975478147 /nfs/dbraw/zinc/47/81/47/975478147.db2.gz SHFVROPIPFMTJK-UNXYVOJBSA-N 1 2 205.305 2.303 20 30 BEEDLO C#Cc1cc(Nc2ccccc2F)cc[nH+]1 ZINC001173848194 975747982 /nfs/dbraw/zinc/74/79/82/975747982.db2.gz OXYGASQYNUZCOL-UHFFFAOYSA-N 1 2 212.227 2.368 20 30 BEEDLO C#Cc1cc(Nc2ccccc2OC)cc[nH+]1 ZINC001173839096 975869873 /nfs/dbraw/zinc/86/98/73/975869873.db2.gz KAIKQBCZSAUCIO-UHFFFAOYSA-N 1 2 224.263 2.237 20 30 BEEDLO C=C(C)c1ccc(OC2C[NH+](C)C2)cc1 ZINC001229075237 976695767 /nfs/dbraw/zinc/69/57/67/976695767.db2.gz CSIDZNILZQKLBI-UHFFFAOYSA-N 1 2 203.285 2.413 20 30 BEEDLO C#Cc1cc(Nc2cc(F)ccc2O)cc[nH+]1 ZINC001174627104 976897693 /nfs/dbraw/zinc/89/76/93/976897693.db2.gz NSKMPBOAAONVFL-UHFFFAOYSA-N 1 2 228.226 2.073 20 30 BEEDLO C#Cc1cc(Nc2cccc(N(C)C)c2)cc[nH+]1 ZINC001174960520 977187647 /nfs/dbraw/zinc/18/76/47/977187647.db2.gz DHJKRUWQVFBLFS-UHFFFAOYSA-N 1 2 237.306 2.294 20 30 BEEDLO C#Cc1cc(Nc2c(F)cccc2OC)cc[nH+]1 ZINC001174990645 977197292 /nfs/dbraw/zinc/19/72/92/977197292.db2.gz RJEJYICQYPLRMF-UHFFFAOYSA-N 1 2 242.253 2.376 20 30 BEEDLO C#CC[N@H+](CC1CC1)Cn1cc(C)cnc1=S ZINC001335903594 977357427 /nfs/dbraw/zinc/35/74/27/977357427.db2.gz BUARMGMUBMMHIE-UHFFFAOYSA-N 1 2 247.367 2.224 20 30 BEEDLO C#CC[N@@H+](CC1CC1)Cn1cc(C)cnc1=S ZINC001335903594 977357431 /nfs/dbraw/zinc/35/74/31/977357431.db2.gz BUARMGMUBMMHIE-UHFFFAOYSA-N 1 2 247.367 2.224 20 30 BEEDLO C#C[C@H](CC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230919542 977383540 /nfs/dbraw/zinc/38/35/40/977383540.db2.gz DRDAVCRGKRHQPY-GFCCVEGCSA-N 1 2 229.279 2.158 20 30 BEEDLO C=CC(C=C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920877 977385313 /nfs/dbraw/zinc/38/53/13/977385313.db2.gz WTXVBIVCRZVJCV-UHFFFAOYSA-N 1 2 229.279 2.487 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(C2CC2)o1)CC1CC1 ZINC001336052307 977462870 /nfs/dbraw/zinc/46/28/70/977462870.db2.gz WBMYETNNMDMXIQ-UHFFFAOYSA-N 1 2 230.311 2.397 20 30 BEEDLO C#CC[N@H+](Cc1ncc(C2CC2)o1)CC1CC1 ZINC001336052307 977462884 /nfs/dbraw/zinc/46/28/84/977462884.db2.gz WBMYETNNMDMXIQ-UHFFFAOYSA-N 1 2 230.311 2.397 20 30 BEEDLO C#Cc1cc(Nc2ccc(SC)nc2)cc[nH+]1 ZINC001175651501 977620518 /nfs/dbraw/zinc/62/05/18/977620518.db2.gz OTORSOWRHMNOTM-UHFFFAOYSA-N 1 2 241.319 2.345 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3cnccc23)C1 ZINC001231521085 977628991 /nfs/dbraw/zinc/62/89/91/977628991.db2.gz HQQLHWQHXZNWBU-LLVKDONJSA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2c[nH]c3cnccc23)C1 ZINC001231521085 977628999 /nfs/dbraw/zinc/62/89/99/977628999.db2.gz HQQLHWQHXZNWBU-LLVKDONJSA-N 1 2 240.310 2.298 20 30 BEEDLO C#Cc1cc(Nc2cc(C)nn2CCC)cc[nH+]1 ZINC001175798747 977697702 /nfs/dbraw/zinc/69/77/02/977697702.db2.gz HBWLCXJOPLRKFD-UHFFFAOYSA-N 1 2 240.310 2.143 20 30 BEEDLO COc1cc[nH+]cc1Nc1cc(C)cnc1C#N ZINC001176118495 977945599 /nfs/dbraw/zinc/94/55/99/977945599.db2.gz MAYDMMMWFSVQKG-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO C=CCO[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC001336922745 978060034 /nfs/dbraw/zinc/06/00/34/978060034.db2.gz OFZYPKOTRCBLFB-JTQLQIEISA-N 1 2 222.263 2.002 20 30 BEEDLO C=CCn1cc(Nc2cccn3cc[nH+]c23)cn1 ZINC001176544156 978106288 /nfs/dbraw/zinc/10/62/88/978106288.db2.gz ZFCFUARQGGBNES-UHFFFAOYSA-N 1 2 239.282 2.460 20 30 BEEDLO C=CCn1cc(Nc2ccc(N(C)C)[nH+]c2)cn1 ZINC001176542032 978122155 /nfs/dbraw/zinc/12/21/55/978122155.db2.gz KWCYYOUMCQGXNY-UHFFFAOYSA-N 1 2 243.314 2.274 20 30 BEEDLO N#Cc1ccnc(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001232474735 978123008 /nfs/dbraw/zinc/12/30/08/978123008.db2.gz IOUDJJJRCJJNRV-LBPRGKRZSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1ccnc(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001232474735 978123014 /nfs/dbraw/zinc/12/30/14/978123014.db2.gz IOUDJJJRCJJNRV-LBPRGKRZSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673420 978229030 /nfs/dbraw/zinc/22/90/30/978229030.db2.gz FTUYMJGOORNQIA-SNVBAGLBSA-N 1 2 216.284 2.248 20 30 BEEDLO C[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673420 978229035 /nfs/dbraw/zinc/22/90/35/978229035.db2.gz FTUYMJGOORNQIA-SNVBAGLBSA-N 1 2 216.284 2.248 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC001232673396 978237799 /nfs/dbraw/zinc/23/77/99/978237799.db2.gz FIIBOMUWVQFBNW-BETUJISGSA-N 1 2 242.322 2.496 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC001232673396 978237809 /nfs/dbraw/zinc/23/78/09/978237809.db2.gz FIIBOMUWVQFBNW-BETUJISGSA-N 1 2 242.322 2.496 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674268 978240179 /nfs/dbraw/zinc/24/01/79/978240179.db2.gz UWBZPUREBRPEEV-SNVBAGLBSA-N 1 2 216.284 2.106 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674268 978240189 /nfs/dbraw/zinc/24/01/89/978240189.db2.gz UWBZPUREBRPEEV-SNVBAGLBSA-N 1 2 216.284 2.106 20 30 BEEDLO CCCn1cnc(C[NH+]2CCC(C#N)CC2)c1 ZINC001232795958 978263964 /nfs/dbraw/zinc/26/39/64/978263964.db2.gz REAAPWFVYIGGEZ-UHFFFAOYSA-N 1 2 232.331 2.029 20 30 BEEDLO CCCn1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001232798810 978281368 /nfs/dbraw/zinc/28/13/68/978281368.db2.gz MOXPNSMLAVYTGE-ZDUSSCGKSA-N 1 2 246.358 2.419 20 30 BEEDLO CCCn1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001232798810 978281386 /nfs/dbraw/zinc/28/13/86/978281386.db2.gz MOXPNSMLAVYTGE-ZDUSSCGKSA-N 1 2 246.358 2.419 20 30 BEEDLO Cc1cc(O)cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001232881558 978320018 /nfs/dbraw/zinc/32/00/18/978320018.db2.gz GATKPEZWLDMUFN-AWEZNQCLSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1cc(O)cc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001232881558 978320029 /nfs/dbraw/zinc/32/00/29/978320029.db2.gz GATKPEZWLDMUFN-AWEZNQCLSA-N 1 2 230.311 2.436 20 30 BEEDLO CC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232893630 978331249 /nfs/dbraw/zinc/33/12/49/978331249.db2.gz GVXGQMPDBPZJND-GFCCVEGCSA-N 1 2 246.285 2.108 20 30 BEEDLO CC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232893630 978331258 /nfs/dbraw/zinc/33/12/58/978331258.db2.gz GVXGQMPDBPZJND-GFCCVEGCSA-N 1 2 246.285 2.108 20 30 BEEDLO N#Cc1cc[nH]c1C[NH+]1CCC(C(F)F)CC1 ZINC001233046708 978429328 /nfs/dbraw/zinc/42/93/28/978429328.db2.gz HEEJUMCCLUOTDN-UHFFFAOYSA-N 1 2 239.269 2.363 20 30 BEEDLO C[C@H]1C[N@H+](Cc2[nH]ccc2C#N)CCC1(F)F ZINC001233046077 978430780 /nfs/dbraw/zinc/43/07/80/978430780.db2.gz LKYUITSHLKVUSN-VIFPVBQESA-N 1 2 239.269 2.363 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2[nH]ccc2C#N)CCC1(F)F ZINC001233046077 978430785 /nfs/dbraw/zinc/43/07/85/978430785.db2.gz LKYUITSHLKVUSN-VIFPVBQESA-N 1 2 239.269 2.363 20 30 BEEDLO CC1(F)CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233046312 978431388 /nfs/dbraw/zinc/43/13/88/978431388.db2.gz SBRXJCBOVQLXAT-UHFFFAOYSA-N 1 2 221.279 2.210 20 30 BEEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001233046452 978432992 /nfs/dbraw/zinc/43/29/92/978432992.db2.gz ACWKANRWGSLWJY-NSHDSACASA-N 1 2 228.299 2.012 20 30 BEEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001233046452 978433000 /nfs/dbraw/zinc/43/30/00/978433000.db2.gz ACWKANRWGSLWJY-NSHDSACASA-N 1 2 228.299 2.012 20 30 BEEDLO CC(C)OC1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233047279 978434104 /nfs/dbraw/zinc/43/41/04/978434104.db2.gz VCKWLNULOQRCDQ-UHFFFAOYSA-N 1 2 247.342 2.276 20 30 BEEDLO CCCOC1C[NH+](Cc2ccc(C#N)cc2C)C1 ZINC001233082802 978464919 /nfs/dbraw/zinc/46/49/19/978464919.db2.gz IEDPVSCOIBDCOY-UHFFFAOYSA-N 1 2 244.338 2.478 20 30 BEEDLO C[C@H](C(=O)Nc1ccsc1C#N)n1cc[nH+]c1 ZINC001177921398 978472053 /nfs/dbraw/zinc/47/20/53/978472053.db2.gz CAVQWLDFOCQXAV-MRVPVSSYSA-N 1 2 246.295 2.016 20 30 BEEDLO C=CCN1CC[NH+](Cc2ccc(C)c(O)c2)CC1 ZINC001233233919 978503635 /nfs/dbraw/zinc/50/36/35/978503635.db2.gz VOPCAECUXDWOHD-UHFFFAOYSA-N 1 2 246.354 2.004 20 30 BEEDLO C=CC[N@H+](C)Cc1c(O)ccc(F)c1F ZINC001233335136 978566183 /nfs/dbraw/zinc/56/61/83/978566183.db2.gz IRDSGKGSDLEFSG-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO C=CC[N@@H+](C)Cc1c(O)ccc(F)c1F ZINC001233335136 978566181 /nfs/dbraw/zinc/56/61/81/978566181.db2.gz IRDSGKGSDLEFSG-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1csc(C#N)c1 ZINC001179479985 978708476 /nfs/dbraw/zinc/70/84/76/978708476.db2.gz ZJQDHJPQMZYAOB-MRVPVSSYSA-N 1 2 205.286 2.012 20 30 BEEDLO N#Cc1cc(-c2cc[nH+]c(N)c2)ccc1F ZINC001235893808 979186659 /nfs/dbraw/zinc/18/66/59/979186659.db2.gz APTKKTBKJPTYCH-UHFFFAOYSA-N 1 2 213.215 2.342 20 30 BEEDLO COc1ccc(C#N)cc1/C(C)=C/C=C/[NH3+] ZINC001236542430 979624751 /nfs/dbraw/zinc/62/47/51/979624751.db2.gz CTKYBNSNZWWYRT-DROBUMMNSA-N 1 2 214.268 2.443 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccn2nccc2c1 ZINC001237539069 979932258 /nfs/dbraw/zinc/93/22/58/979932258.db2.gz JNLAJPVBQJKCQA-UHFFFAOYSA-N 1 2 228.299 2.070 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccn2nccc2c1 ZINC001237539069 979932262 /nfs/dbraw/zinc/93/22/62/979932262.db2.gz JNLAJPVBQJKCQA-UHFFFAOYSA-N 1 2 228.299 2.070 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(OCC)cc1F ZINC001237635098 979980422 /nfs/dbraw/zinc/98/04/22/979980422.db2.gz OLUNHORWZDZEBG-UHFFFAOYSA-N 1 2 221.275 2.289 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(OCC)cc1F ZINC001237635098 979980435 /nfs/dbraw/zinc/98/04/35/979980435.db2.gz OLUNHORWZDZEBG-UHFFFAOYSA-N 1 2 221.275 2.289 20 30 BEEDLO Cc1sccc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001237968665 980121341 /nfs/dbraw/zinc/12/13/41/980121341.db2.gz PKFZOEYWAPYLEB-JTQLQIEISA-N 1 2 206.314 2.402 20 30 BEEDLO Cc1sccc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001237968665 980121350 /nfs/dbraw/zinc/12/13/50/980121350.db2.gz PKFZOEYWAPYLEB-JTQLQIEISA-N 1 2 206.314 2.402 20 30 BEEDLO Cc1ccc(O)cc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001238107627 980155582 /nfs/dbraw/zinc/15/55/82/980155582.db2.gz VAYKIBKXHRFJTL-GFCCVEGCSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1ccc(O)cc1C[N@H+]1CCC[C@H](C#N)C1 ZINC001238107627 980155586 /nfs/dbraw/zinc/15/55/86/980155586.db2.gz VAYKIBKXHRFJTL-GFCCVEGCSA-N 1 2 230.311 2.436 20 30 BEEDLO CC#CCCNc1cc(CC)[nH+]c(CC)n1 ZINC001185939840 980303025 /nfs/dbraw/zinc/30/30/25/980303025.db2.gz NHTTUBXBBZSUIJ-UHFFFAOYSA-N 1 2 217.316 2.427 20 30 BEEDLO C=CC[N@@H+](C)Cc1cc(OCC)ncc1F ZINC001238727592 980312328 /nfs/dbraw/zinc/31/23/28/980312328.db2.gz LIEVGCGSVTVDSQ-UHFFFAOYSA-N 1 2 224.279 2.237 20 30 BEEDLO C=CC[N@H+](C)Cc1cc(OCC)ncc1F ZINC001238727592 980312332 /nfs/dbraw/zinc/31/23/32/980312332.db2.gz LIEVGCGSVTVDSQ-UHFFFAOYSA-N 1 2 224.279 2.237 20 30 BEEDLO C=CC[C@H]([NH2+]C1CC2(CCC2)C1)C(=O)OCC ZINC001344570456 980433735 /nfs/dbraw/zinc/43/37/35/980433735.db2.gz UWFGEXPBDGFWIO-LBPRGKRZSA-N 1 2 237.343 2.417 20 30 BEEDLO CCc1nc(C#N)cc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240217330 981168082 /nfs/dbraw/zinc/16/80/82/981168082.db2.gz NCQAFOXHZUNBKN-UHFFFAOYSA-N 1 2 249.277 2.225 20 30 BEEDLO C=C(CC)C(=O)NCc1c[nH+]c(C)cc1C ZINC001348717193 981427107 /nfs/dbraw/zinc/42/71/07/981427107.db2.gz OOVXHPYXSCFNKN-UHFFFAOYSA-N 1 2 218.300 2.281 20 30 BEEDLO Cc1ccccc1[C@@H](C)[NH+]1CC(O)(CC#N)C1 ZINC001193714967 981430128 /nfs/dbraw/zinc/43/01/28/981430128.db2.gz SXFNMYOYWTUQAW-GFCCVEGCSA-N 1 2 230.311 2.016 20 30 BEEDLO Cc1ccccc1[C@H](C)[NH+]1CC(O)(CC#N)C1 ZINC001193714968 981430199 /nfs/dbraw/zinc/43/01/99/981430199.db2.gz SXFNMYOYWTUQAW-LBPRGKRZSA-N 1 2 230.311 2.016 20 30 BEEDLO N#Cc1c[nH]c2nccc(-c3cc[nH+]c(N)c3)c12 ZINC001241170480 982317876 /nfs/dbraw/zinc/31/78/76/982317876.db2.gz KIDZCRMLXFKLBF-UHFFFAOYSA-N 1 2 235.250 2.079 20 30 BEEDLO N#CCOc1ccccc1-c1cc[nH+]c(N)c1 ZINC001241170328 982318280 /nfs/dbraw/zinc/31/82/80/982318280.db2.gz HZDAZYYCBIXNAM-UHFFFAOYSA-N 1 2 225.251 2.233 20 30 BEEDLO N#Cc1ccc(-c2cccc3[nH+]ccn32)cn1 ZINC001241427973 982579465 /nfs/dbraw/zinc/57/94/65/982579465.db2.gz AXAGJEINABQRLQ-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO C=CCNC(=S)Nc1cccc2[nH+]c(C)cn21 ZINC001200283119 982806100 /nfs/dbraw/zinc/80/61/00/982806100.db2.gz DHIVPNBUFLBGAO-UHFFFAOYSA-N 1 2 246.339 2.115 20 30 BEEDLO C#CCOc1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC001201292294 983168763 /nfs/dbraw/zinc/16/87/63/983168763.db2.gz MYQATRYVSGGLMR-UHFFFAOYSA-N 1 2 239.278 2.419 20 30 BEEDLO N#Cc1sccc1Nc1ccc(N)[nH+]c1 ZINC001201275897 983177362 /nfs/dbraw/zinc/17/73/62/983177362.db2.gz MONQUMDNUFWHGC-UHFFFAOYSA-N 1 2 216.269 2.341 20 30 BEEDLO CC[C@H](C)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201503209 983271370 /nfs/dbraw/zinc/27/13/70/983271370.db2.gz QVNGWPWQOZXDKT-ONGXEEELSA-N 1 2 225.357 2.307 20 30 BEEDLO CC[C@H](C)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201503209 983271380 /nfs/dbraw/zinc/27/13/80/983271380.db2.gz QVNGWPWQOZXDKT-ONGXEEELSA-N 1 2 225.357 2.307 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1cccnc1 ZINC001201633796 983361286 /nfs/dbraw/zinc/36/12/86/983361286.db2.gz LTPLAWMUGVFFAC-UHFFFAOYSA-N 1 2 203.289 2.207 20 30 BEEDLO CCCC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001201703863 983415093 /nfs/dbraw/zinc/41/50/93/983415093.db2.gz BLJBCZLPSHRANA-JTQLQIEISA-N 1 2 211.330 2.061 20 30 BEEDLO CCCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001201703863 983415100 /nfs/dbraw/zinc/41/51/00/983415100.db2.gz BLJBCZLPSHRANA-JTQLQIEISA-N 1 2 211.330 2.061 20 30 BEEDLO CCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201703863 983415104 /nfs/dbraw/zinc/41/51/04/983415104.db2.gz BLJBCZLPSHRANA-JTQLQIEISA-N 1 2 211.330 2.061 20 30 BEEDLO CCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201703863 983415109 /nfs/dbraw/zinc/41/51/09/983415109.db2.gz BLJBCZLPSHRANA-JTQLQIEISA-N 1 2 211.330 2.061 20 30 BEEDLO Cc1cc(N(C)C)[nH+]cc1-c1cccnc1C#N ZINC001242310971 983540963 /nfs/dbraw/zinc/54/09/63/983540963.db2.gz IHBKJHAXZVVOMZ-UHFFFAOYSA-N 1 2 238.294 2.390 20 30 BEEDLO CCc1cn(CCOc2ccccc2C#N)c[nH+]1 ZINC001559465811 983920444 /nfs/dbraw/zinc/92/04/44/983920444.db2.gz BEFHUDMQTSSYEC-UHFFFAOYSA-N 1 2 241.294 2.396 20 30 BEEDLO C#CC[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000882515294 984026998 /nfs/dbraw/zinc/02/69/98/984026998.db2.gz UTXHPIHGUVLCFG-LLVKDONJSA-N 1 2 218.275 2.460 20 30 BEEDLO C#C[C@H]([NH2+]C/C(Cl)=C\Cl)[C@H]1CCCO1 ZINC000389282958 984326596 /nfs/dbraw/zinc/32/65/96/984326596.db2.gz SYQLTQJQGNVVTD-JSJQHLISSA-N 1 2 234.126 2.076 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc2[nH]cc(C#N)c2c1 ZINC001243069065 984490456 /nfs/dbraw/zinc/49/04/56/984490456.db2.gz OKFLVNGWUILRLF-UHFFFAOYSA-N 1 2 222.251 2.440 20 30 BEEDLO N#CCOc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001243592298 985148222 /nfs/dbraw/zinc/14/82/22/985148222.db2.gz NBDXSTYZMKIDSV-UHFFFAOYSA-N 1 2 225.251 2.233 20 30 BEEDLO COc1ccc(-c2cc(N)cc[nH+]2)c(C#N)c1 ZINC001243727675 985246040 /nfs/dbraw/zinc/24/60/40/985246040.db2.gz YHVVRCJNVXLUBG-UHFFFAOYSA-N 1 2 225.251 2.211 20 30 BEEDLO N#Cc1c2c(cnc1C1=C[NH2+]CCC1)CCC2 ZINC001243950347 985652142 /nfs/dbraw/zinc/65/21/42/985652142.db2.gz YOWQPLMOGZQMEP-UHFFFAOYSA-N 1 2 225.295 2.166 20 30 BEEDLO C[C@H](c1csnn1)[NH+]1CCC(CC#N)CC1 ZINC001459932589 985666119 /nfs/dbraw/zinc/66/61/19/985666119.db2.gz LMMRFMORIQQAAE-SECBINFHSA-N 1 2 236.344 2.225 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1c(C)cc(C)cc1C ZINC001460223960 985809934 /nfs/dbraw/zinc/80/99/34/985809934.db2.gz SVWTURXCRMOYCU-HNNXBMFYSA-N 1 2 243.350 2.446 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1c(C)cc(C)cc1C ZINC001460223960 985809942 /nfs/dbraw/zinc/80/99/42/985809942.db2.gz SVWTURXCRMOYCU-HNNXBMFYSA-N 1 2 243.350 2.446 20 30 BEEDLO N#Cc1cc(-c2nc3[nH]ccc3c[nH+]2)ccc1N ZINC001244108008 985817847 /nfs/dbraw/zinc/81/78/47/985817847.db2.gz CWFYYUYUPXUXFJ-UHFFFAOYSA-N 1 2 235.250 2.030 20 30 BEEDLO N#Cc1cnccc1-c1cc(-n2cc[nH+]c2)ccn1 ZINC001244334965 985973283 /nfs/dbraw/zinc/97/32/83/985973283.db2.gz UJCDQEKXRAZDJC-UHFFFAOYSA-N 1 2 247.261 2.201 20 30 BEEDLO COCCOc1ccccc1C[NH2+][C@H](C)CC#N ZINC001461725313 986122034 /nfs/dbraw/zinc/12/20/34/986122034.db2.gz XUPVTPRWKJKLKT-GFCCVEGCSA-N 1 2 248.326 2.104 20 30 BEEDLO Cc1cccn2c(C[NH2+][C@@H](C)CC#N)cnc12 ZINC001461723423 986122186 /nfs/dbraw/zinc/12/21/86/986122186.db2.gz CEMNTTHVZKDLRN-NSHDSACASA-N 1 2 228.299 2.035 20 30 BEEDLO Cc1cnc(C[NH2+]C[C@H](C#N)CCC#N)c(C)c1 ZINC000901588142 986363700 /nfs/dbraw/zinc/36/37/00/986363700.db2.gz RHMYLZOEKUFJPS-ZDUSSCGKSA-N 1 2 242.326 2.232 20 30 BEEDLO CNc1cc(-c2cnc(OC)c(C#N)c2)cc[nH+]1 ZINC001244974658 986560359 /nfs/dbraw/zinc/56/03/59/986560359.db2.gz ZPUAUNGERNASIE-UHFFFAOYSA-N 1 2 240.266 2.066 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001254660803 986712055 /nfs/dbraw/zinc/71/20/55/986712055.db2.gz LYGBILDBKPWIMM-YTWAJWBKSA-N 1 2 214.259 2.061 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001254660803 986712065 /nfs/dbraw/zinc/71/20/65/986712065.db2.gz LYGBILDBKPWIMM-YTWAJWBKSA-N 1 2 214.259 2.061 20 30 BEEDLO N#C[C@H]1CC[C@H]([NH+]2CC(Oc3ccccc3)C2)C1 ZINC001254667289 986714828 /nfs/dbraw/zinc/71/48/28/986714828.db2.gz BROIDAMTHXRNGX-STQMWFEESA-N 1 2 242.322 2.442 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]C1(c2ccncc2)CC1 ZINC001255154643 986827119 /nfs/dbraw/zinc/82/71/19/986827119.db2.gz DZRNDNVINVOSHO-LBPRGKRZSA-N 1 2 215.300 2.353 20 30 BEEDLO Cc1cc(-c2ccc(CC#N)cn2)c[nH+]c1N ZINC001245535560 986907890 /nfs/dbraw/zinc/90/78/90/986907890.db2.gz CYVZGYHCAJBQTR-UHFFFAOYSA-N 1 2 224.267 2.100 20 30 BEEDLO Cc1cnc(-c2c[nH+]c(N)c(C)c2)c(C#N)c1 ZINC001245535885 986913271 /nfs/dbraw/zinc/91/32/71/986913271.db2.gz HGOQUNIUJNKDBN-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO Cc1cc(-c2ccc(CC#N)c(C)n2)c[nH+]c1N ZINC001245539401 986928429 /nfs/dbraw/zinc/92/84/29/986928429.db2.gz ZGQJBMQXVLKTGX-UHFFFAOYSA-N 1 2 238.294 2.409 20 30 BEEDLO Cc1cc(-c2ccccc2C=NO)c[nH+]c1N ZINC001245541227 986929554 /nfs/dbraw/zinc/92/95/54/986929554.db2.gz OESRSVIBVOANPU-UHFFFAOYSA-N 1 2 227.267 2.447 20 30 BEEDLO COC[C@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC001255567089 987020402 /nfs/dbraw/zinc/02/04/02/987020402.db2.gz APEXGDMTXMQILT-ZDUSSCGKSA-N 1 2 232.327 2.437 20 30 BEEDLO COC[C@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001255567089 987020412 /nfs/dbraw/zinc/02/04/12/987020412.db2.gz APEXGDMTXMQILT-ZDUSSCGKSA-N 1 2 232.327 2.437 20 30 BEEDLO C=C1CN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC001472829656 987289021 /nfs/dbraw/zinc/28/90/21/987289021.db2.gz VNSZIVBFXRHFBA-UHFFFAOYSA-N 1 2 236.278 2.259 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1n[nH]c2ccccc21)C(C)C ZINC000694003804 987317083 /nfs/dbraw/zinc/31/70/83/987317083.db2.gz SSXFRAKTLDWBOO-GFCCVEGCSA-N 1 2 227.311 2.310 20 30 BEEDLO C#CC[N@@H+](Cc1nc(C)cs1)CC1CC1 ZINC001116448424 987579504 /nfs/dbraw/zinc/57/95/04/987579504.db2.gz VXCYBSLDGCZOGQ-UHFFFAOYSA-N 1 2 220.341 2.297 20 30 BEEDLO C#CC[N@H+](Cc1nc(C)cs1)CC1CC1 ZINC001116448424 987579514 /nfs/dbraw/zinc/57/95/14/987579514.db2.gz VXCYBSLDGCZOGQ-UHFFFAOYSA-N 1 2 220.341 2.297 20 30 BEEDLO Cc1c(C#N)cccc1NCc1ccc[nH+]c1N ZINC001474434190 987722840 /nfs/dbraw/zinc/72/28/40/987722840.db2.gz PSJAANMFNOUZGF-UHFFFAOYSA-N 1 2 238.294 2.456 20 30 BEEDLO CCCCCC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246591482 988166269 /nfs/dbraw/zinc/16/62/69/988166269.db2.gz ITRPKJVUZHQRHY-STQMWFEESA-N 1 2 223.364 2.143 20 30 BEEDLO C#CC[N@@H+](Cc1nccn1C(C)C)CC1CC1 ZINC001118555227 988433116 /nfs/dbraw/zinc/43/31/16/988433116.db2.gz AFHSPZGAKLQUQX-UHFFFAOYSA-N 1 2 231.343 2.309 20 30 BEEDLO C#CC[N@H+](Cc1nccn1C(C)C)CC1CC1 ZINC001118555227 988433122 /nfs/dbraw/zinc/43/31/22/988433122.db2.gz AFHSPZGAKLQUQX-UHFFFAOYSA-N 1 2 231.343 2.309 20 30 BEEDLO CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246836096 988531851 /nfs/dbraw/zinc/53/18/51/988531851.db2.gz MUJXVXGJFBJIDU-BFHYXJOUSA-N 1 2 237.391 2.389 20 30 BEEDLO CCC[C@H](C)CC[C@@H](C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246836096 988531862 /nfs/dbraw/zinc/53/18/62/988531862.db2.gz MUJXVXGJFBJIDU-BFHYXJOUSA-N 1 2 237.391 2.389 20 30 BEEDLO C=CCCC(C)(C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001118738788 988536253 /nfs/dbraw/zinc/53/62/53/988536253.db2.gz VSNMUXMMCFXAGP-NSHDSACASA-N 1 2 235.331 2.305 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@@H](CC)CCC)C1 ZINC001324006300 988664502 /nfs/dbraw/zinc/66/45/02/988664502.db2.gz ODOGBNSLGCLQLC-LBPRGKRZSA-N 1 2 238.375 2.141 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)[C@H](CC)CCC)C1 ZINC001324006298 988665454 /nfs/dbraw/zinc/66/54/54/988665454.db2.gz ODOGBNSLGCLQLC-GFCCVEGCSA-N 1 2 238.375 2.141 20 30 BEEDLO C#Cc1cc(Nc2cc3cccnc3[nH]2)cc[nH+]1 ZINC001248694910 989128734 /nfs/dbraw/zinc/12/87/34/989128734.db2.gz UXZOREIRBIHQAV-UHFFFAOYSA-N 1 2 234.262 2.105 20 30 BEEDLO CCN1CCc2ccc(C[N@H+](C)CCC#N)cc21 ZINC001249657323 989335537 /nfs/dbraw/zinc/33/55/37/989335537.db2.gz HXTSMJMXTRFMSS-UHFFFAOYSA-N 1 2 243.354 2.414 20 30 BEEDLO CCN1CCc2ccc(C[N@@H+](C)CCC#N)cc21 ZINC001249657323 989335545 /nfs/dbraw/zinc/33/55/45/989335545.db2.gz HXTSMJMXTRFMSS-UHFFFAOYSA-N 1 2 243.354 2.414 20 30 BEEDLO C=C(C)CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001120598247 989771162 /nfs/dbraw/zinc/77/11/62/989771162.db2.gz LHIDRBKUASCSMG-LBPRGKRZSA-N 1 2 247.342 2.472 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138741494 991026065 /nfs/dbraw/zinc/02/60/65/991026065.db2.gz WEDDIYUZVXIPES-LLVKDONJSA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138741494 991026074 /nfs/dbraw/zinc/02/60/74/991026074.db2.gz WEDDIYUZVXIPES-LLVKDONJSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@H]1C[C@H]([NH2+]C2(C#N)CCOCC2)C[C@@H](C)C1 ZINC001258156139 991043208 /nfs/dbraw/zinc/04/32/08/991043208.db2.gz NAYVHIZIYMXKES-ITGUQSILSA-N 1 2 236.359 2.473 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)C(C)=C2CCCC2)CC1 ZINC001258285262 991219857 /nfs/dbraw/zinc/21/98/57/991219857.db2.gz OBFOLFHGAZWUTP-UHFFFAOYSA-N 1 2 248.370 2.207 20 30 BEEDLO C#CC[N@@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC001308964166 991236481 /nfs/dbraw/zinc/23/64/81/991236481.db2.gz WMXXMPQJIUBKAN-LLVKDONJSA-N 1 2 236.340 2.060 20 30 BEEDLO C#CC[N@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC001308964166 991236489 /nfs/dbraw/zinc/23/64/89/991236489.db2.gz WMXXMPQJIUBKAN-LLVKDONJSA-N 1 2 236.340 2.060 20 30 BEEDLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001139531096 991260608 /nfs/dbraw/zinc/26/06/08/991260608.db2.gz LLHZYENYQIRHJO-AWEZNQCLSA-N 1 2 246.285 2.251 20 30 BEEDLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001139531096 991260615 /nfs/dbraw/zinc/26/06/15/991260615.db2.gz LLHZYENYQIRHJO-AWEZNQCLSA-N 1 2 246.285 2.251 20 30 BEEDLO Cc1ccc(C[N@@H+]2CCOC3(CC3)C2)cc1C#N ZINC001139727287 991345096 /nfs/dbraw/zinc/34/50/96/991345096.db2.gz MFHXXDLYRJLTLD-UHFFFAOYSA-N 1 2 242.322 2.232 20 30 BEEDLO Cc1ccc(C[N@H+]2CCOC3(CC3)C2)cc1C#N ZINC001139727287 991345099 /nfs/dbraw/zinc/34/50/99/991345099.db2.gz MFHXXDLYRJLTLD-UHFFFAOYSA-N 1 2 242.322 2.232 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001560694304 991556233 /nfs/dbraw/zinc/55/62/33/991556233.db2.gz YYSPXJNENXBCBM-MRVPVSSYSA-N 1 2 240.253 2.262 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001560694304 991556245 /nfs/dbraw/zinc/55/62/45/991556245.db2.gz YYSPXJNENXBCBM-MRVPVSSYSA-N 1 2 240.253 2.262 20 30 BEEDLO N#C[C@@H]1CC[N@@H+](Cc2c[nH]c3cccc(O)c23)C1 ZINC001140235396 991572341 /nfs/dbraw/zinc/57/23/41/991572341.db2.gz GOLQYPUNJCHUQR-JTQLQIEISA-N 1 2 241.294 2.219 20 30 BEEDLO N#C[C@@H]1CC[N@H+](Cc2c[nH]c3cccc(O)c23)C1 ZINC001140235396 991572353 /nfs/dbraw/zinc/57/23/53/991572353.db2.gz GOLQYPUNJCHUQR-JTQLQIEISA-N 1 2 241.294 2.219 20 30 BEEDLO Cc1cc(C[N@H+](C)CCC#N)ccc1O ZINC001140575022 991676505 /nfs/dbraw/zinc/67/65/05/991676505.db2.gz ZXIMUTTZQNNHKL-UHFFFAOYSA-N 1 2 204.273 2.046 20 30 BEEDLO Cc1cc(C[N@@H+](C)CCC#N)ccc1O ZINC001140575022 991676510 /nfs/dbraw/zinc/67/65/10/991676510.db2.gz ZXIMUTTZQNNHKL-UHFFFAOYSA-N 1 2 204.273 2.046 20 30 BEEDLO C=CCC[C@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001258734931 991684376 /nfs/dbraw/zinc/68/43/76/991684376.db2.gz KSYVXLYFFGKTIN-VHSXEESVSA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCC[C@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001258734931 991684379 /nfs/dbraw/zinc/68/43/79/991684379.db2.gz KSYVXLYFFGKTIN-VHSXEESVSA-N 1 2 219.275 2.043 20 30 BEEDLO CCCC[C@@H](CCC)[NH2+][C@@H](CS)C(=O)OC ZINC001258755480 991701196 /nfs/dbraw/zinc/70/11/96/991701196.db2.gz PKZMXOXVNGUENS-MNOVXSKESA-N 1 2 247.404 2.406 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](CCC)CCCC)C(=O)OC ZINC001258756971 991701539 /nfs/dbraw/zinc/70/15/39/991701539.db2.gz DDDTWODMCTWTKG-OLZOCXBDSA-N 1 2 239.359 2.500 20 30 BEEDLO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](CS)C(=O)OC ZINC001258781301 991754100 /nfs/dbraw/zinc/75/41/00/991754100.db2.gz WLAJFELUANUXCU-DCAQKATOSA-N 1 2 247.404 2.262 20 30 BEEDLO C=C[C@@H](COC)Nc1cc(CC)[nH+]c(CC)n1 ZINC001262363912 992858447 /nfs/dbraw/zinc/85/84/47/992858447.db2.gz HTABHZJXWSXASX-NSHDSACASA-N 1 2 235.331 2.214 20 30 BEEDLO C[C@H]1C[C@H]([NH2+]CCC#N)CN1Cc1ccccc1 ZINC000382033252 993436489 /nfs/dbraw/zinc/43/64/89/993436489.db2.gz FJEQORJUTKQDOC-ZFWWWQNUSA-N 1 2 243.354 2.153 20 30 BEEDLO C#CC1([NH2+]Cc2nn(C)cc2Cl)CCCC1 ZINC001621045058 1170187866 /nfs/dbraw/zinc/18/78/66/1170187866.db2.gz IKUPFBGKSAZHPL-UHFFFAOYSA-N 1 2 237.734 2.109 20 30 BEEDLO C#CCCNc1nc2ccccc2n2c[nH+]cc12 ZINC001611975228 1170446139 /nfs/dbraw/zinc/44/61/39/1170446139.db2.gz DNNHZFKUWNZDJO-UHFFFAOYSA-N 1 2 236.278 2.318 20 30 BEEDLO C=C1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001615441341 1170516131 /nfs/dbraw/zinc/51/61/31/1170516131.db2.gz UAZCQERKKCATBG-UHFFFAOYSA-N 1 2 213.284 2.105 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H](C)CC ZINC001619905190 1170660901 /nfs/dbraw/zinc/66/09/01/1170660901.db2.gz PXHVGPNEGAOQIN-GFCCVEGCSA-N 1 2 239.359 2.309 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](C)CC ZINC001619905190 1170660904 /nfs/dbraw/zinc/66/09/04/1170660904.db2.gz PXHVGPNEGAOQIN-GFCCVEGCSA-N 1 2 239.359 2.309 20 30 BEEDLO C#CC[N@@H+](Cc1ccccc1F)C1CSC1 ZINC001620321294 1170662675 /nfs/dbraw/zinc/66/26/75/1170662675.db2.gz TZMREDINZFOYSX-UHFFFAOYSA-N 1 2 235.327 2.376 20 30 BEEDLO C#CC[N@H+](Cc1ccccc1F)C1CSC1 ZINC001620321294 1170662679 /nfs/dbraw/zinc/66/26/79/1170662679.db2.gz TZMREDINZFOYSX-UHFFFAOYSA-N 1 2 235.327 2.376 20 30 BEEDLO C=C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001627014690 1171149145 /nfs/dbraw/zinc/14/91/45/1171149145.db2.gz AKQQUGRSPOZPGK-UHFFFAOYSA-N 1 2 241.294 2.127 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268519261 398140949 /nfs/dbraw/zinc/14/09/49/398140949.db2.gz WEKBIKPCOCGKTE-JTQLQIEISA-N 1 2 240.738 2.045 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268519261 398140950 /nfs/dbraw/zinc/14/09/50/398140950.db2.gz WEKBIKPCOCGKTE-JTQLQIEISA-N 1 2 240.738 2.045 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268519261 398140952 /nfs/dbraw/zinc/14/09/52/398140952.db2.gz WEKBIKPCOCGKTE-JTQLQIEISA-N 1 2 240.738 2.045 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268519261 398140953 /nfs/dbraw/zinc/14/09/53/398140953.db2.gz WEKBIKPCOCGKTE-JTQLQIEISA-N 1 2 240.738 2.045 20 30 BEEDLO Cc1c[nH+]ccc1NC(=O)N(C)[C@H](C)CC#N ZINC000122102372 136212983 /nfs/dbraw/zinc/21/29/83/136212983.db2.gz JGCDJVMGXFEGAM-SNVBAGLBSA-N 1 2 232.287 2.156 20 30 BEEDLO Cc1c[nH+]ccc1NC(=O)N(C)[C@@H](C)CC#N ZINC000122102177 136213025 /nfs/dbraw/zinc/21/30/25/136213025.db2.gz JGCDJVMGXFEGAM-JTQLQIEISA-N 1 2 232.287 2.156 20 30 BEEDLO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2F)on1 ZINC000044991801 178024374 /nfs/dbraw/zinc/02/43/74/178024374.db2.gz PGKPCTCJJFUIJP-UHFFFAOYSA-N 1 2 245.257 2.284 20 30 BEEDLO Cc1cc([C@H]2CCC[N@@H+]2CCC#N)on1 ZINC000052009585 398185824 /nfs/dbraw/zinc/18/58/24/398185824.db2.gz DMZIUMGKTWWJNG-SNVBAGLBSA-N 1 2 205.261 2.034 20 30 BEEDLO Cc1cc([C@H]2CCC[N@H+]2CCC#N)on1 ZINC000052009585 398185827 /nfs/dbraw/zinc/18/58/27/398185827.db2.gz DMZIUMGKTWWJNG-SNVBAGLBSA-N 1 2 205.261 2.034 20 30 BEEDLO C=CCCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000576313362 365562212 /nfs/dbraw/zinc/56/22/12/365562212.db2.gz SEKSBVIROVEZQQ-SNVBAGLBSA-N 1 2 221.291 2.291 20 30 BEEDLO C=CCCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000576313362 365562215 /nfs/dbraw/zinc/56/22/15/365562215.db2.gz SEKSBVIROVEZQQ-SNVBAGLBSA-N 1 2 221.291 2.291 20 30 BEEDLO CCC[C@@H]([NH2+]CC1(CC#N)CC1)C(=O)OCC ZINC000429783490 398225347 /nfs/dbraw/zinc/22/53/47/398225347.db2.gz LFGCUTRXVZKUEG-LLVKDONJSA-N 1 2 238.331 2.002 20 30 BEEDLO C=C[C@@H](C)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421363471 192334182 /nfs/dbraw/zinc/33/41/82/192334182.db2.gz LNYOUCLXFMINJK-SSDOTTSWSA-N 1 2 213.712 2.046 20 30 BEEDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCC#N ZINC000331323168 136226298 /nfs/dbraw/zinc/22/62/98/136226298.db2.gz FOSCVALWGPSQJW-UHFFFAOYSA-N 1 2 242.326 2.312 20 30 BEEDLO Cc1nocc1C[N@@H+](CCC#N)C(C)C ZINC000576571157 365627657 /nfs/dbraw/zinc/62/76/57/365627657.db2.gz JCNBEEFSLICSPS-UHFFFAOYSA-N 1 2 207.277 2.107 20 30 BEEDLO Cc1nocc1C[N@H+](CCC#N)C(C)C ZINC000576571157 365627660 /nfs/dbraw/zinc/62/76/60/365627660.db2.gz JCNBEEFSLICSPS-UHFFFAOYSA-N 1 2 207.277 2.107 20 30 BEEDLO N#Cc1c(F)cccc1C[NH+]1CCSCC1 ZINC000335877079 398247081 /nfs/dbraw/zinc/24/70/81/398247081.db2.gz VBLJYMLVKJCSIW-UHFFFAOYSA-N 1 2 236.315 2.246 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000295629119 136230339 /nfs/dbraw/zinc/23/03/39/136230339.db2.gz BCRZUDLQEYDZSA-UHFFFAOYSA-N 1 2 244.298 2.058 20 30 BEEDLO C=CC[N@H+](C)Cc1nc(-c2cc(C)ccn2)no1 ZINC000295629119 136230340 /nfs/dbraw/zinc/23/03/40/136230340.db2.gz BCRZUDLQEYDZSA-UHFFFAOYSA-N 1 2 244.298 2.058 20 30 BEEDLO Cc1ncc([C@H](C)[N@@H+](C)[C@@H](C)CC#N)c(C)n1 ZINC000602461513 349555348 /nfs/dbraw/zinc/55/53/48/349555348.db2.gz GSBPOQOMITZLDT-ONGXEEELSA-N 1 2 232.331 2.388 20 30 BEEDLO Cc1ncc([C@H](C)[N@H+](C)[C@@H](C)CC#N)c(C)n1 ZINC000602461513 349555350 /nfs/dbraw/zinc/55/53/50/349555350.db2.gz GSBPOQOMITZLDT-ONGXEEELSA-N 1 2 232.331 2.388 20 30 BEEDLO COc1ccc(OC)c(C[NH2+]CC2(C#N)CC2)c1 ZINC000259018871 349543182 /nfs/dbraw/zinc/54/31/82/349543182.db2.gz YGTSQCFAAWUPCE-UHFFFAOYSA-N 1 2 246.310 2.097 20 30 BEEDLO Cc1c[nH]c(CN(CCC#N)CCC(C)C)[nH+]1 ZINC000600116321 342673409 /nfs/dbraw/zinc/67/34/09/342673409.db2.gz AQCWULQSWHKAQA-UHFFFAOYSA-N 1 2 234.347 2.480 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000183816966 346858093 /nfs/dbraw/zinc/85/80/93/346858093.db2.gz JNJBWYVUEIJIST-QMMMGPOBSA-N 1 2 210.227 2.214 20 30 BEEDLO C[C@@]1(C[N@H+](CC#N)C2CC2)CCCS1 ZINC000600114251 342672124 /nfs/dbraw/zinc/67/21/24/342672124.db2.gz DISBDQGFDCKOSG-NSHDSACASA-N 1 2 210.346 2.260 20 30 BEEDLO C[C@@]1(C[N@@H+](CC#N)C2CC2)CCCS1 ZINC000600114251 342672125 /nfs/dbraw/zinc/67/21/25/342672125.db2.gz DISBDQGFDCKOSG-NSHDSACASA-N 1 2 210.346 2.260 20 30 BEEDLO C[C@@H]([NH2+]CCC#N)c1nc2ccccc2[nH]1 ZINC000309602389 342732412 /nfs/dbraw/zinc/73/24/12/342732412.db2.gz XXHWYZMRIMSIPY-SECBINFHSA-N 1 2 214.272 2.127 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@@H]1CC2CCC1CC2)C(=O)OC ZINC000400053074 398287456 /nfs/dbraw/zinc/28/74/56/398287456.db2.gz KOEPYFAERSCWBI-IFWUJCSASA-N 1 2 237.343 2.130 20 30 BEEDLO Fc1ccc(C#CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000336482447 398320526 /nfs/dbraw/zinc/32/05/26/398320526.db2.gz DJGQDQYPSNZCCB-GASCZTMLSA-N 1 2 245.297 2.040 20 30 BEEDLO Fc1ccc(C#CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000336482447 398320528 /nfs/dbraw/zinc/32/05/28/398320528.db2.gz DJGQDQYPSNZCCB-GASCZTMLSA-N 1 2 245.297 2.040 20 30 BEEDLO C#CC[NH+]1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000159495096 398314067 /nfs/dbraw/zinc/31/40/67/398314067.db2.gz JENCQPOUCFNGKJ-CYBMUJFWSA-N 1 2 246.329 2.138 20 30 BEEDLO N#Cc1c(F)cccc1C[NH2+]CC1(C#N)CC1 ZINC000602641542 349653926 /nfs/dbraw/zinc/65/39/26/349653926.db2.gz BQISXNNAQKHXCX-UHFFFAOYSA-N 1 2 229.258 2.091 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(F)c1C#N ZINC000580306777 346882505 /nfs/dbraw/zinc/88/25/05/346882505.db2.gz BWMWJPUBUJVPJX-NSHDSACASA-N 1 2 231.274 2.479 20 30 BEEDLO C=CCOc1cccc(C[NH+]2CCOCC2)c1 ZINC000154522927 398338866 /nfs/dbraw/zinc/33/88/66/398338866.db2.gz KQPRDFKVGIMXHC-UHFFFAOYSA-N 1 2 233.311 2.084 20 30 BEEDLO N#Cc1c(F)cccc1C[NH2+]CC1(C#N)CCC1 ZINC000602693631 349691020 /nfs/dbraw/zinc/69/10/20/349691020.db2.gz DDIDLANTZRETAB-UHFFFAOYSA-N 1 2 243.285 2.481 20 30 BEEDLO Cc1ncc([C@@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000602717341 349707368 /nfs/dbraw/zinc/70/73/68/349707368.db2.gz GAWSERPAEAKYDJ-RISCZKNCSA-N 1 2 244.342 2.390 20 30 BEEDLO Cc1ncc([C@@H](C)[N@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000602717341 349707372 /nfs/dbraw/zinc/70/73/72/349707372.db2.gz GAWSERPAEAKYDJ-RISCZKNCSA-N 1 2 244.342 2.390 20 30 BEEDLO C[C@@H](C#N)C[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602797075 349738851 /nfs/dbraw/zinc/73/88/51/349738851.db2.gz BHPKFSGDVCOCBH-NSHDSACASA-N 1 2 217.316 2.304 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](CC1(CC#N)CC1)C1CC1 ZINC000602797075 349738853 /nfs/dbraw/zinc/73/88/53/349738853.db2.gz BHPKFSGDVCOCBH-NSHDSACASA-N 1 2 217.316 2.304 20 30 BEEDLO CCC[C@@](C)([NH2+]CC1(CC#N)CC1)C(=O)OC ZINC000602784620 349749322 /nfs/dbraw/zinc/74/93/22/349749322.db2.gz UKDQXGYCTAEWQW-GFCCVEGCSA-N 1 2 238.331 2.002 20 30 BEEDLO COC(=O)c1ccc([C@@H](C)[NH2+][C@H](C)CC#N)o1 ZINC000602860346 349771620 /nfs/dbraw/zinc/77/16/20/349771620.db2.gz COIQCTFUHOYGCL-RKDXNWHRSA-N 1 2 236.271 2.019 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H](SC)C(C)(C)C)C(=O)OC ZINC000309953386 343108430 /nfs/dbraw/zinc/10/84/30/343108430.db2.gz HDIYETKMWNJVRN-UWVGGRQHSA-N 1 2 245.388 2.081 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nnc(OCC)s1 ZINC000058395933 343118359 /nfs/dbraw/zinc/11/83/59/343118359.db2.gz UMCUXYPZIKRYQV-UHFFFAOYSA-N 1 2 241.360 2.335 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nnc(OCC)s1 ZINC000058395933 343118360 /nfs/dbraw/zinc/11/83/60/343118360.db2.gz UMCUXYPZIKRYQV-UHFFFAOYSA-N 1 2 241.360 2.335 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000042324408 136272971 /nfs/dbraw/zinc/27/29/71/136272971.db2.gz KTSVQPPGDHNUOA-LLVKDONJSA-N 1 2 213.284 2.150 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000042324408 136272972 /nfs/dbraw/zinc/27/29/72/136272972.db2.gz KTSVQPPGDHNUOA-LLVKDONJSA-N 1 2 213.284 2.150 20 30 BEEDLO C=C1CC[NH+]([C@@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000279401973 187241415 /nfs/dbraw/zinc/24/14/15/187241415.db2.gz ISGVRLXKEWSLNK-NSHDSACASA-N 1 2 233.315 2.204 20 30 BEEDLO CCc1ccc(C[NH2+]CC2(C#N)CC2)o1 ZINC000379918769 365734422 /nfs/dbraw/zinc/73/44/22/365734422.db2.gz FVOVIEFTBLELSS-UHFFFAOYSA-N 1 2 204.273 2.235 20 30 BEEDLO CC[N@@H+](CCC#N)CCOc1cccc(C#N)c1 ZINC000042450511 136272608 /nfs/dbraw/zinc/27/26/08/136272608.db2.gz NTDYKUVPELTUAH-UHFFFAOYSA-N 1 2 243.310 2.173 20 30 BEEDLO CC[N@H+](CCC#N)CCOc1cccc(C#N)c1 ZINC000042450511 136272609 /nfs/dbraw/zinc/27/26/09/136272609.db2.gz NTDYKUVPELTUAH-UHFFFAOYSA-N 1 2 243.310 2.173 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1C#N ZINC000135040104 343192285 /nfs/dbraw/zinc/19/22/85/343192285.db2.gz WRGVJQIYLZDCDT-CYBMUJFWSA-N 1 2 213.284 2.340 20 30 BEEDLO CC#CC[NH2+]Cc1cn(CCC(C)(C)CC)nn1 ZINC000641048867 362158885 /nfs/dbraw/zinc/15/88/85/362158885.db2.gz ASEZEQKEJPLEJW-UHFFFAOYSA-N 1 2 248.374 2.217 20 30 BEEDLO CC#CC[NH2+]Cc1cn(CCCC(C)(C)C)nn1 ZINC000641049337 362159820 /nfs/dbraw/zinc/15/98/20/362159820.db2.gz JNAXFPJGAKRLKJ-UHFFFAOYSA-N 1 2 248.374 2.217 20 30 BEEDLO C#CC[N@@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000192225148 259358846 /nfs/dbraw/zinc/35/88/46/259358846.db2.gz FBDLCIYDBGSWCG-UHFFFAOYSA-N 1 2 243.335 2.270 20 30 BEEDLO C#CC[N@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000192225148 259358848 /nfs/dbraw/zinc/35/88/48/259358848.db2.gz FBDLCIYDBGSWCG-UHFFFAOYSA-N 1 2 243.335 2.270 20 30 BEEDLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(F)c(C#N)c1 ZINC000344341989 343396860 /nfs/dbraw/zinc/39/68/60/343396860.db2.gz AOGFSWCMMGMWPI-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(F)c(C#N)c1 ZINC000344341989 343396862 /nfs/dbraw/zinc/39/68/62/343396862.db2.gz AOGFSWCMMGMWPI-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CCCC#N)C2 ZINC000609313644 343406396 /nfs/dbraw/zinc/40/63/96/343406396.db2.gz HRBOCWURXTXUEE-UHFFFAOYSA-N 1 2 244.294 2.093 20 30 BEEDLO COC(=O)c1ccc2c(c1)C[N@H+](CCCC#N)C2 ZINC000609313644 343406398 /nfs/dbraw/zinc/40/63/98/343406398.db2.gz HRBOCWURXTXUEE-UHFFFAOYSA-N 1 2 244.294 2.093 20 30 BEEDLO N#Cc1cccc(OCCCn2cc[nH+]c2)c1 ZINC000034674769 136330771 /nfs/dbraw/zinc/33/07/71/136330771.db2.gz HJGGLQNVMKBRPB-UHFFFAOYSA-N 1 2 227.267 2.224 20 30 BEEDLO COC1(C[N@@H+]2CC[C@@](F)(C#N)C2)CCCCC1 ZINC000616734289 343555851 /nfs/dbraw/zinc/55/58/51/343555851.db2.gz YBYCKRHRJKNDPZ-GFCCVEGCSA-N 1 2 240.322 2.273 20 30 BEEDLO COC1(C[N@H+]2CC[C@@](F)(C#N)C2)CCCCC1 ZINC000616734289 343555855 /nfs/dbraw/zinc/55/58/55/343555855.db2.gz YBYCKRHRJKNDPZ-GFCCVEGCSA-N 1 2 240.322 2.273 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)nc(C)n1 ZINC000602981914 349832734 /nfs/dbraw/zinc/83/27/34/349832734.db2.gz LEUYLDQXLHBGPY-TZMCWYRMSA-N 1 2 244.342 2.218 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)nc(C)n1 ZINC000602981914 349832738 /nfs/dbraw/zinc/83/27/38/349832738.db2.gz LEUYLDQXLHBGPY-TZMCWYRMSA-N 1 2 244.342 2.218 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)nc(C)n1 ZINC000602981911 349833104 /nfs/dbraw/zinc/83/31/04/349833104.db2.gz LEUYLDQXLHBGPY-GXTWGEPZSA-N 1 2 244.342 2.218 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)nc(C)n1 ZINC000602981911 349833108 /nfs/dbraw/zinc/83/31/08/349833108.db2.gz LEUYLDQXLHBGPY-GXTWGEPZSA-N 1 2 244.342 2.218 20 30 BEEDLO Cc1nocc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982794 349834736 /nfs/dbraw/zinc/83/47/36/349834736.db2.gz YIXYTHJCGHTNKV-PWSUYJOCSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1nocc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982794 349834738 /nfs/dbraw/zinc/83/47/38/349834738.db2.gz YIXYTHJCGHTNKV-PWSUYJOCSA-N 1 2 219.288 2.107 20 30 BEEDLO COc1cncc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602981738 349831570 /nfs/dbraw/zinc/83/15/70/349831570.db2.gz IWFFMBOJCNNBGE-TZMCWYRMSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cncc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602981738 349831574 /nfs/dbraw/zinc/83/15/74/349831574.db2.gz IWFFMBOJCNNBGE-TZMCWYRMSA-N 1 2 245.326 2.214 20 30 BEEDLO CCc1nocc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981614 349831593 /nfs/dbraw/zinc/83/15/93/349831593.db2.gz GSXJCTTXVLABBV-MFKMUULPSA-N 1 2 233.315 2.361 20 30 BEEDLO CCc1nocc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981614 349831596 /nfs/dbraw/zinc/83/15/96/349831596.db2.gz GSXJCTTXVLABBV-MFKMUULPSA-N 1 2 233.315 2.361 20 30 BEEDLO Cc1nocc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982795 349835263 /nfs/dbraw/zinc/83/52/63/349835263.db2.gz YIXYTHJCGHTNKV-ZYHUDNBSSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1nocc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982795 349835266 /nfs/dbraw/zinc/83/52/66/349835266.db2.gz YIXYTHJCGHTNKV-ZYHUDNBSSA-N 1 2 219.288 2.107 20 30 BEEDLO N#Cc1csc(C[NH+]2CC3(C2)CCCC3)n1 ZINC000335172602 343973273 /nfs/dbraw/zinc/97/32/73/343973273.db2.gz YBCUSHDLCLSDGH-UHFFFAOYSA-N 1 2 233.340 2.391 20 30 BEEDLO CC[N@@H+](Cc1cncs1)C[C@@H](C)C#N ZINC000091982639 343951853 /nfs/dbraw/zinc/95/18/53/343951853.db2.gz WTKSTRFDGBGBGN-VIFPVBQESA-N 1 2 209.318 2.125 20 30 BEEDLO CC[N@H+](Cc1cncs1)C[C@@H](C)C#N ZINC000091982639 343951856 /nfs/dbraw/zinc/95/18/56/343951856.db2.gz WTKSTRFDGBGBGN-VIFPVBQESA-N 1 2 209.318 2.125 20 30 BEEDLO C[C@@H]1[N@H+](Cc2ccc(C#N)o2)CCOC1(C)C ZINC000335916473 344085415 /nfs/dbraw/zinc/08/54/15/344085415.db2.gz BUVDTRAXGUYAJM-JTQLQIEISA-N 1 2 234.299 2.151 20 30 BEEDLO C[C@@H]1[N@@H+](Cc2ccc(C#N)o2)CCOC1(C)C ZINC000335916473 344085418 /nfs/dbraw/zinc/08/54/18/344085418.db2.gz BUVDTRAXGUYAJM-JTQLQIEISA-N 1 2 234.299 2.151 20 30 BEEDLO C=C[C@@H]([NH2+]CC(C)(C)C(F)(F)CC)C(=O)OC ZINC000600613043 344336564 /nfs/dbraw/zinc/33/65/64/344336564.db2.gz FTSQRRGDMXEBQR-SECBINFHSA-N 1 2 249.301 2.375 20 30 BEEDLO Cc1nc(N2CCC(CCC#N)CC2)cc[nH+]1 ZINC000584289239 344421554 /nfs/dbraw/zinc/42/15/54/344421554.db2.gz ZYRBMNZXHDHTNE-UHFFFAOYSA-N 1 2 230.315 2.305 20 30 BEEDLO CC[N@@H+](Cc1ccncc1C)C[C@@H](C)C#N ZINC000584272400 344373974 /nfs/dbraw/zinc/37/39/74/344373974.db2.gz SHIRNOWQKVHRMI-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1ccncc1C)C[C@@H](C)C#N ZINC000584272400 344373977 /nfs/dbraw/zinc/37/39/77/344373977.db2.gz SHIRNOWQKVHRMI-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO N#CCC1(C[NH2+][C@H]2CCCc3[nH]ncc32)CC1 ZINC000367613968 347048450 /nfs/dbraw/zinc/04/84/50/347048450.db2.gz GRTSWLGNFSWYKV-NSHDSACASA-N 1 2 230.315 2.071 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1F ZINC000042207304 344445784 /nfs/dbraw/zinc/44/57/84/344445784.db2.gz LLPZCHVEVDBGNA-JTQLQIEISA-N 1 2 206.264 2.417 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1F ZINC000042207304 344445786 /nfs/dbraw/zinc/44/57/86/344445786.db2.gz LLPZCHVEVDBGNA-JTQLQIEISA-N 1 2 206.264 2.417 20 30 BEEDLO CO[C@H](C/[NH+]=C/c1ccccc1O)C(C)C ZINC000075078330 344764967 /nfs/dbraw/zinc/76/49/67/344764967.db2.gz RTXVFSQQJUTPHK-SJWLEHQBSA-N 1 2 221.300 2.482 20 30 BEEDLO N#CCCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000076118721 344797381 /nfs/dbraw/zinc/79/73/81/344797381.db2.gz DDKWZXLKCVAMMW-CQSZACIVSA-N 1 2 230.311 2.364 20 30 BEEDLO N#CCCC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000076118721 344797384 /nfs/dbraw/zinc/79/73/84/344797384.db2.gz DDKWZXLKCVAMMW-CQSZACIVSA-N 1 2 230.311 2.364 20 30 BEEDLO CCN(CC#N)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000121073520 344909795 /nfs/dbraw/zinc/90/97/95/344909795.db2.gz GKQGATFBBNFSAM-UHFFFAOYSA-N 1 2 248.717 2.333 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(O)c1 ZINC000112463488 323080688 /nfs/dbraw/zinc/08/06/88/323080688.db2.gz QUHQNYDDTUJYTH-SNVBAGLBSA-N 1 2 204.273 2.126 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(O)c1 ZINC000112463488 323080689 /nfs/dbraw/zinc/08/06/89/323080689.db2.gz QUHQNYDDTUJYTH-SNVBAGLBSA-N 1 2 204.273 2.126 20 30 BEEDLO C=CC(C)(C)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000628313388 344940343 /nfs/dbraw/zinc/94/03/43/344940343.db2.gz NMWLKXYWLSEGMG-UHFFFAOYSA-N 1 2 249.358 2.406 20 30 BEEDLO Cc1cc(N[C@H](C)C[C@H]2CCCO2)c(C#N)c[nH+]1 ZINC000425230421 192085291 /nfs/dbraw/zinc/08/52/91/192085291.db2.gz SRGFBFVJHALYQD-DGCLKSJQSA-N 1 2 245.326 2.053 20 30 BEEDLO Cc1nc(CC[N@@H+](C)[C@H](C)CC#N)cs1 ZINC000125304976 345074911 /nfs/dbraw/zinc/07/49/11/345074911.db2.gz GUSOARAKWSAURU-SECBINFHSA-N 1 2 223.345 2.228 20 30 BEEDLO Cc1nc(CC[N@H+](C)[C@H](C)CC#N)cs1 ZINC000125304976 345074914 /nfs/dbraw/zinc/07/49/14/345074914.db2.gz GUSOARAKWSAURU-SECBINFHSA-N 1 2 223.345 2.228 20 30 BEEDLO CC#CCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000156016029 345121651 /nfs/dbraw/zinc/12/16/51/345121651.db2.gz WSXUMIWHZNDDHO-ZDUSSCGKSA-N 1 2 219.284 2.066 20 30 BEEDLO CC#CCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000156016029 345121652 /nfs/dbraw/zinc/12/16/52/345121652.db2.gz WSXUMIWHZNDDHO-ZDUSSCGKSA-N 1 2 219.284 2.066 20 30 BEEDLO Cc1cc(N2CCC(F)(C#N)CC2)c(C#N)c[nH+]1 ZINC000425259843 192086026 /nfs/dbraw/zinc/08/60/26/192086026.db2.gz YSAPQOPAOTWKJD-UHFFFAOYSA-N 1 2 244.273 2.094 20 30 BEEDLO Cc1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c[nH+]1 ZINC000425267014 192086857 /nfs/dbraw/zinc/08/68/57/192086857.db2.gz KGOOIUNYLXIIFZ-KGYLQXTDSA-N 1 2 227.311 2.284 20 30 BEEDLO CC[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)CCO1 ZINC000425278102 192086976 /nfs/dbraw/zinc/08/69/76/192086976.db2.gz GIPLIBWDICALBQ-QWHCGFSZSA-N 1 2 245.326 2.053 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/[C@H]2CC[C@H](O)CC2)c1 ZINC000133110859 345361138 /nfs/dbraw/zinc/36/11/38/345361138.db2.gz MEKILNLYOZUVNH-OMOLXHFVSA-N 1 2 249.310 2.123 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(C#N)s1 ZINC000132297297 345326208 /nfs/dbraw/zinc/32/62/08/345326208.db2.gz NSLIHGRZURRNII-VIFPVBQESA-N 1 2 219.313 2.354 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000132297297 345326210 /nfs/dbraw/zinc/32/62/10/345326210.db2.gz NSLIHGRZURRNII-VIFPVBQESA-N 1 2 219.313 2.354 20 30 BEEDLO CC(C)(CCC#N)CNc1cc(CO)cc[nH+]1 ZINC000603375500 349936906 /nfs/dbraw/zinc/93/69/06/349936906.db2.gz FZOZQFLQCWEXTO-UHFFFAOYSA-N 1 2 233.315 2.316 20 30 BEEDLO C=CCCCCn1cc[nH+]c1CN1CCOCC1 ZINC000641727446 362648134 /nfs/dbraw/zinc/64/81/34/362648134.db2.gz ZBEASWOEADKWIK-UHFFFAOYSA-N 1 2 249.358 2.072 20 30 BEEDLO CC#CC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000626152549 345782794 /nfs/dbraw/zinc/78/27/94/345782794.db2.gz VFVSZIWVDUNFLI-UHFFFAOYSA-N 1 2 219.259 2.043 20 30 BEEDLO CC#CC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626152549 345782796 /nfs/dbraw/zinc/78/27/96/345782796.db2.gz VFVSZIWVDUNFLI-UHFFFAOYSA-N 1 2 219.259 2.043 20 30 BEEDLO C=CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635819100 346080077 /nfs/dbraw/zinc/08/00/77/346080077.db2.gz VCTJMYZMYHGJPV-LBPRGKRZSA-N 1 2 235.331 2.115 20 30 BEEDLO C=CCCN(C)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635840166 346083032 /nfs/dbraw/zinc/08/30/32/346083032.db2.gz QMTATWWKMHTLEK-UHFFFAOYSA-N 1 2 243.310 2.291 20 30 BEEDLO CC[C@](C)(C#N)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000586779764 346104647 /nfs/dbraw/zinc/10/46/47/346104647.db2.gz AGTAHBDOCNBUPH-CYBMUJFWSA-N 1 2 242.282 2.213 20 30 BEEDLO C=C(Br)CNc1cccc[nH+]1 ZINC000136270554 346182380 /nfs/dbraw/zinc/18/23/80/346182380.db2.gz LYSOFCMZKZVQEX-UHFFFAOYSA-N 1 2 213.078 2.402 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnn1C(C)C ZINC000280076249 346295092 /nfs/dbraw/zinc/29/50/92/346295092.db2.gz ZMXSTQJCMHOLQL-NSHDSACASA-N 1 2 220.320 2.246 20 30 BEEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(F)F ZINC000603428292 349951179 /nfs/dbraw/zinc/95/11/79/349951179.db2.gz GQTPKMVLOSMRHK-DJLDLDEBSA-N 1 2 202.248 2.312 20 30 BEEDLO N#CCc1cc[nH+]c(NCc2ccco2)c1 ZINC000381558570 346348674 /nfs/dbraw/zinc/34/86/74/346348674.db2.gz QCPJQDOCHNBPAP-UHFFFAOYSA-N 1 2 213.240 2.353 20 30 BEEDLO Cc1cccc(CCNc2cnccc2C#N)[nH+]1 ZINC000359841449 179062177 /nfs/dbraw/zinc/06/21/77/179062177.db2.gz JWWNPZQEULFNCC-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO C=C[C@H](CO)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000641774692 362714393 /nfs/dbraw/zinc/71/43/93/362714393.db2.gz OZSBUHHUXSRTLI-SSDOTTSWSA-N 1 2 247.672 2.255 20 30 BEEDLO C[C@H]([NH2+]Cc1ccon1)c1cccc(C#N)c1 ZINC000148737165 346423326 /nfs/dbraw/zinc/42/33/26/346423326.db2.gz YJRGDKXMCDKUSE-JTQLQIEISA-N 1 2 227.267 2.397 20 30 BEEDLO C=C(CC)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000577155304 365841812 /nfs/dbraw/zinc/84/18/12/365841812.db2.gz MWXOAMFTEKCOCF-UHFFFAOYSA-N 1 2 233.315 2.208 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc[nH]1 ZINC000589159773 346670160 /nfs/dbraw/zinc/67/01/60/346670160.db2.gz SCUZHVUREWAPPV-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc[nH]1 ZINC000589159773 346670162 /nfs/dbraw/zinc/67/01/62/346670162.db2.gz SCUZHVUREWAPPV-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO Cc1nc(C)c(C[N@@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000589258818 346680384 /nfs/dbraw/zinc/68/03/84/346680384.db2.gz VJSXENORZOVDSG-CYBMUJFWSA-N 1 2 233.315 2.417 20 30 BEEDLO Cc1nc(C)c(C[N@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000589258818 346680386 /nfs/dbraw/zinc/68/03/86/346680386.db2.gz VJSXENORZOVDSG-CYBMUJFWSA-N 1 2 233.315 2.417 20 30 BEEDLO COc1ccc(NCc2nc(C#N)cs2)[nH+]c1 ZINC000589315710 346689988 /nfs/dbraw/zinc/68/99/88/346689988.db2.gz XSNZYDWVCKPEJF-UHFFFAOYSA-N 1 2 246.295 2.030 20 30 BEEDLO Cc1nc(C[N@H+](C)CCCC(C)(C)C#N)no1 ZINC000183698286 347133692 /nfs/dbraw/zinc/13/36/92/347133692.db2.gz NBCBGUQGBDVMID-UHFFFAOYSA-N 1 2 236.319 2.140 20 30 BEEDLO Cc1nc(C[N@@H+](C)CCCC(C)(C)C#N)no1 ZINC000183698286 347133695 /nfs/dbraw/zinc/13/36/95/347133695.db2.gz NBCBGUQGBDVMID-UHFFFAOYSA-N 1 2 236.319 2.140 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000590765094 347529868 /nfs/dbraw/zinc/52/98/68/347529868.db2.gz WKWGORKIRRFVNP-AWEZNQCLSA-N 1 2 247.338 2.463 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000590765094 347529870 /nfs/dbraw/zinc/52/98/70/347529870.db2.gz WKWGORKIRRFVNP-AWEZNQCLSA-N 1 2 247.338 2.463 20 30 BEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC=CCC1 ZINC000590955723 347593925 /nfs/dbraw/zinc/59/39/25/347593925.db2.gz DRBXROXJVWCJKW-UHFFFAOYSA-N 1 2 243.266 2.228 20 30 BEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC=CCC1 ZINC000590955723 347593928 /nfs/dbraw/zinc/59/39/28/347593928.db2.gz DRBXROXJVWCJKW-UHFFFAOYSA-N 1 2 243.266 2.228 20 30 BEEDLO C=CCC1(C[NH2+][C@H](C=C)C(=O)OC)CCCC1 ZINC000591374766 347649578 /nfs/dbraw/zinc/64/95/78/347649578.db2.gz BFGVZXXOHICTMZ-GFCCVEGCSA-N 1 2 237.343 2.440 20 30 BEEDLO C=C[C@@H]([NH2+][C@H](C)CCC=C(C)C)C(=O)OC ZINC000591374976 347649694 /nfs/dbraw/zinc/64/96/94/347649694.db2.gz BWTSYWUUNJPOFW-VXGBXAGGSA-N 1 2 225.332 2.439 20 30 BEEDLO N#CCC[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000591734195 347694144 /nfs/dbraw/zinc/69/41/44/347694144.db2.gz DXHWJBWPCBMYNG-UONOGXRCSA-N 1 2 230.311 2.410 20 30 BEEDLO CC(C)Oc1cc[nH+]c(CN(C)C[C@@H](C)C#N)c1 ZINC000593007149 347841041 /nfs/dbraw/zinc/84/10/41/347841041.db2.gz KSTOOFGUEHDTTH-LBPRGKRZSA-N 1 2 247.342 2.460 20 30 BEEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCCC#N ZINC000593118123 347862698 /nfs/dbraw/zinc/86/26/98/347862698.db2.gz RJBJHPCUQZVAOL-NSHDSACASA-N 1 2 240.347 2.342 20 30 BEEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCCC#N ZINC000593118123 347862702 /nfs/dbraw/zinc/86/27/02/347862702.db2.gz RJBJHPCUQZVAOL-NSHDSACASA-N 1 2 240.347 2.342 20 30 BEEDLO CC[C@@H](C#N)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000593442609 347891564 /nfs/dbraw/zinc/89/15/64/347891564.db2.gz VDIBZUQVGGWHKG-WDEREUQCSA-N 1 2 246.314 2.013 20 30 BEEDLO CC(C)(NC(=O)CCCCCC#N)c1[nH]cc[nH+]1 ZINC000593736395 347938495 /nfs/dbraw/zinc/93/84/95/347938495.db2.gz MFIHDVXCANLVFI-UHFFFAOYSA-N 1 2 248.330 2.235 20 30 BEEDLO CCc1nc(C[NH2+]C[C@@H](C#N)CCC#N)cs1 ZINC000577366580 365935063 /nfs/dbraw/zinc/93/50/63/365935063.db2.gz ZRTNJCJPYJTWQT-SNVBAGLBSA-N 1 2 248.355 2.239 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H](C)CO1 ZINC000593665310 347924500 /nfs/dbraw/zinc/92/45/00/347924500.db2.gz AFFZJBJUOXFXNX-QWRGUYRKSA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H](C)CO1 ZINC000593665310 347924503 /nfs/dbraw/zinc/92/45/03/347924503.db2.gz AFFZJBJUOXFXNX-QWRGUYRKSA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H](C)CO1 ZINC000593665308 347924617 /nfs/dbraw/zinc/92/46/17/347924617.db2.gz AFFZJBJUOXFXNX-GHMZBOCLSA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@H](C)CO1 ZINC000593665308 347924619 /nfs/dbraw/zinc/92/46/19/347924619.db2.gz AFFZJBJUOXFXNX-GHMZBOCLSA-N 1 2 234.299 2.151 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C[C@H]1F ZINC000593970929 347974962 /nfs/dbraw/zinc/97/49/62/347974962.db2.gz RFAOESAOYICRIH-ZWNOBZJWSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@H]1F ZINC000593970929 347974964 /nfs/dbraw/zinc/97/49/64/347974964.db2.gz RFAOESAOYICRIH-ZWNOBZJWSA-N 1 2 233.290 2.133 20 30 BEEDLO C=CC[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594051933 347988238 /nfs/dbraw/zinc/98/82/38/347988238.db2.gz VYZPHKQBWKLXTH-UHFFFAOYSA-N 1 2 225.332 2.369 20 30 BEEDLO C=CC[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594051933 347988243 /nfs/dbraw/zinc/98/82/43/347988243.db2.gz VYZPHKQBWKLXTH-UHFFFAOYSA-N 1 2 225.332 2.369 20 30 BEEDLO CC[C@@H](NC(=O)CCCCC#N)c1[nH]cc[nH+]1 ZINC000594341743 348036703 /nfs/dbraw/zinc/03/67/03/348036703.db2.gz VASXQUXDIMQOJR-SNVBAGLBSA-N 1 2 234.303 2.061 20 30 BEEDLO Cn1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000594616069 348084002 /nfs/dbraw/zinc/08/40/02/348084002.db2.gz YMXAFUXHIMUUHO-UHFFFAOYSA-N 1 2 237.306 2.413 20 30 BEEDLO Cn1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000594616069 348084003 /nfs/dbraw/zinc/08/40/03/348084003.db2.gz YMXAFUXHIMUUHO-UHFFFAOYSA-N 1 2 237.306 2.413 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccc(CO)o2)CCCCC1 ZINC000594980986 348164273 /nfs/dbraw/zinc/16/42/73/348164273.db2.gz DUWDNGHIVIQOKV-UHFFFAOYSA-N 1 2 248.326 2.336 20 30 BEEDLO CO[C@@H](C[N@@H+]1CC[C@](F)(C#N)C1)C1CCCC1 ZINC000595454306 348253985 /nfs/dbraw/zinc/25/39/85/348253985.db2.gz HDXMLQBWPUQLQA-STQMWFEESA-N 1 2 240.322 2.129 20 30 BEEDLO CO[C@@H](C[N@H+]1CC[C@](F)(C#N)C1)C1CCCC1 ZINC000595454306 348253987 /nfs/dbraw/zinc/25/39/87/348253987.db2.gz HDXMLQBWPUQLQA-STQMWFEESA-N 1 2 240.322 2.129 20 30 BEEDLO CC1(C#N)C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000595465611 348257786 /nfs/dbraw/zinc/25/77/86/348257786.db2.gz DANSBFNJDCJGQB-GRYCIOLGSA-N 1 2 204.317 2.268 20 30 BEEDLO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595613298 348288141 /nfs/dbraw/zinc/28/81/41/348288141.db2.gz ACWALERPRBTFFZ-MWLCHTKSSA-N 1 2 234.303 2.065 20 30 BEEDLO Cc1nnc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595613298 348288144 /nfs/dbraw/zinc/28/81/44/348288144.db2.gz ACWALERPRBTFFZ-MWLCHTKSSA-N 1 2 234.303 2.065 20 30 BEEDLO CCn1ccnc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616546 348288823 /nfs/dbraw/zinc/28/88/23/348288823.db2.gz UTVADSCEZNCLFP-LBPRGKRZSA-N 1 2 232.331 2.029 20 30 BEEDLO CCn1ccnc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616546 348288827 /nfs/dbraw/zinc/28/88/27/348288827.db2.gz UTVADSCEZNCLFP-LBPRGKRZSA-N 1 2 232.331 2.029 20 30 BEEDLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC000595615128 348288988 /nfs/dbraw/zinc/28/89/88/348288988.db2.gz GRWKULBUBNFSIX-GHMZBOCLSA-N 1 2 247.346 2.054 20 30 BEEDLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC000595615128 348288992 /nfs/dbraw/zinc/28/89/92/348288992.db2.gz GRWKULBUBNFSIX-GHMZBOCLSA-N 1 2 247.346 2.054 20 30 BEEDLO CCn1ccnc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616544 348289102 /nfs/dbraw/zinc/28/91/02/348289102.db2.gz UTVADSCEZNCLFP-GFCCVEGCSA-N 1 2 232.331 2.029 20 30 BEEDLO CCn1ccnc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616544 348289104 /nfs/dbraw/zinc/28/91/04/348289104.db2.gz UTVADSCEZNCLFP-GFCCVEGCSA-N 1 2 232.331 2.029 20 30 BEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(c2ccco2)CC1 ZINC000595615435 348289233 /nfs/dbraw/zinc/28/92/33/348289233.db2.gz MPPKWYVRTCGFKF-LBPRGKRZSA-N 1 2 249.310 2.187 20 30 BEEDLO CC[N@H+](CCCC#N)[C@H](C)C(=O)OC(C)(C)C ZINC000595595713 348294092 /nfs/dbraw/zinc/29/40/92/348294092.db2.gz CNYOKRPFMBHUJH-LLVKDONJSA-N 1 2 240.347 2.342 20 30 BEEDLO CC[N@@H+](CCCC#N)[C@H](C)C(=O)OC(C)(C)C ZINC000595595713 348294096 /nfs/dbraw/zinc/29/40/96/348294096.db2.gz CNYOKRPFMBHUJH-LLVKDONJSA-N 1 2 240.347 2.342 20 30 BEEDLO CC1(C)C[N@H+](CC#N)CCc2ccccc21 ZINC000595635498 348302740 /nfs/dbraw/zinc/30/27/40/348302740.db2.gz VOJTVNXMOUQONI-UHFFFAOYSA-N 1 2 214.312 2.346 20 30 BEEDLO CC1(C)C[N@@H+](CC#N)CCc2ccccc21 ZINC000595635498 348302742 /nfs/dbraw/zinc/30/27/42/348302742.db2.gz VOJTVNXMOUQONI-UHFFFAOYSA-N 1 2 214.312 2.346 20 30 BEEDLO C=C(C)C[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000595707760 348319618 /nfs/dbraw/zinc/31/96/18/348319618.db2.gz DFBGVOBKLWAJHU-AULYBMBSSA-N 1 2 225.332 2.274 20 30 BEEDLO C[C@H](C#N)[N@H+](CCCc1ccncc1)C1CC1 ZINC000595709638 348320542 /nfs/dbraw/zinc/32/05/42/348320542.db2.gz HIXVRWCELHVSBX-GFCCVEGCSA-N 1 2 229.327 2.391 20 30 BEEDLO C[C@H](C#N)[N@@H+](CCCc1ccncc1)C1CC1 ZINC000595709638 348320547 /nfs/dbraw/zinc/32/05/47/348320547.db2.gz HIXVRWCELHVSBX-GFCCVEGCSA-N 1 2 229.327 2.391 20 30 BEEDLO C[C@H](C#N)[N@H+](CCC[C@@H]1CCOC1)C1CC1 ZINC000595709295 348320658 /nfs/dbraw/zinc/32/06/58/348320658.db2.gz DSVDDWAUTSAURV-VXGBXAGGSA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@H](C#N)[N@@H+](CCC[C@@H]1CCOC1)C1CC1 ZINC000595709295 348320663 /nfs/dbraw/zinc/32/06/63/348320663.db2.gz DSVDDWAUTSAURV-VXGBXAGGSA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@@H](C#N)[N@H+](CC[C@H]1CCCCO1)C1CC1 ZINC000595710762 348323225 /nfs/dbraw/zinc/32/32/25/348323225.db2.gz RATXZFXBMSPRAJ-WCQYABFASA-N 1 2 222.332 2.322 20 30 BEEDLO C[C@@H](C#N)[N@@H+](CC[C@H]1CCCCO1)C1CC1 ZINC000595710762 348323228 /nfs/dbraw/zinc/32/32/28/348323228.db2.gz RATXZFXBMSPRAJ-WCQYABFASA-N 1 2 222.332 2.322 20 30 BEEDLO CCOC(=O)CCCC[N@H+]([C@H](C)C#N)C1CC1 ZINC000595720324 348327758 /nfs/dbraw/zinc/32/77/58/348327758.db2.gz HJNQWOVXDZZXNE-LLVKDONJSA-N 1 2 238.331 2.096 20 30 BEEDLO CCOC(=O)CCCC[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595720324 348327760 /nfs/dbraw/zinc/32/77/60/348327760.db2.gz HJNQWOVXDZZXNE-LLVKDONJSA-N 1 2 238.331 2.096 20 30 BEEDLO CCOC(=O)CCCCC[N@H+](CC)[C@@H](C)C#N ZINC000595814534 348343018 /nfs/dbraw/zinc/34/30/18/348343018.db2.gz VSJUDAUHRFQVMA-LBPRGKRZSA-N 1 2 240.347 2.344 20 30 BEEDLO CCOC(=O)CCCCC[N@@H+](CC)[C@@H](C)C#N ZINC000595814534 348343022 /nfs/dbraw/zinc/34/30/22/348343022.db2.gz VSJUDAUHRFQVMA-LBPRGKRZSA-N 1 2 240.347 2.344 20 30 BEEDLO CCN(CCc1cc[nH+]cc1C)[C@H](C)C#N ZINC000595816213 348343667 /nfs/dbraw/zinc/34/36/67/348343667.db2.gz FPBUWWUXJUDHIP-GFCCVEGCSA-N 1 2 217.316 2.167 20 30 BEEDLO CCOc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)nc1 ZINC000595836939 348370690 /nfs/dbraw/zinc/37/06/90/348370690.db2.gz BSASLUWAWJJFBY-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO CCOc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)nc1 ZINC000595836939 348370692 /nfs/dbraw/zinc/37/06/92/348370692.db2.gz BSASLUWAWJJFBY-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO Cc1nc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000595837774 348371696 /nfs/dbraw/zinc/37/16/96/348371696.db2.gz MGRPVCUEOUUCFP-LBPRGKRZSA-N 1 2 235.356 2.496 20 30 BEEDLO Cc1nc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000595837774 348371700 /nfs/dbraw/zinc/37/17/00/348371700.db2.gz MGRPVCUEOUUCFP-LBPRGKRZSA-N 1 2 235.356 2.496 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000595838064 348372046 /nfs/dbraw/zinc/37/20/46/348372046.db2.gz QCZHJVACWNBLDQ-AWEZNQCLSA-N 1 2 243.285 2.433 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000595838064 348372049 /nfs/dbraw/zinc/37/20/49/348372049.db2.gz QCZHJVACWNBLDQ-AWEZNQCLSA-N 1 2 243.285 2.433 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccsc2)C1 ZINC000595841264 348375936 /nfs/dbraw/zinc/37/59/36/348375936.db2.gz JEAYMNHTAMESRH-LLVKDONJSA-N 1 2 206.314 2.484 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccsc2)C1 ZINC000595841264 348375942 /nfs/dbraw/zinc/37/59/42/348375942.db2.gz JEAYMNHTAMESRH-LLVKDONJSA-N 1 2 206.314 2.484 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)nc1 ZINC000595842005 348377221 /nfs/dbraw/zinc/37/72/21/348377221.db2.gz XNMBFWBJYRPAOL-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)nc1 ZINC000595842005 348377223 /nfs/dbraw/zinc/37/72/23/348377223.db2.gz XNMBFWBJYRPAOL-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cncc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842206 348377938 /nfs/dbraw/zinc/37/79/38/348377938.db2.gz CMVBVIOAHRABNU-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cncc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595842206 348377941 /nfs/dbraw/zinc/37/79/41/348377941.db2.gz CMVBVIOAHRABNU-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ccnc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595843786 348381003 /nfs/dbraw/zinc/38/10/03/348381003.db2.gz NOWOXTPUNZQWSF-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ccnc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595843786 348381006 /nfs/dbraw/zinc/38/10/06/348381006.db2.gz NOWOXTPUNZQWSF-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1nc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)o1 ZINC000595843788 348381113 /nfs/dbraw/zinc/38/11/13/348381113.db2.gz NPHMLQVXJGTSSN-GFCCVEGCSA-N 1 2 219.288 2.027 20 30 BEEDLO Cc1nc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)o1 ZINC000595843788 348381116 /nfs/dbraw/zinc/38/11/16/348381116.db2.gz NPHMLQVXJGTSSN-GFCCVEGCSA-N 1 2 219.288 2.027 20 30 BEEDLO Cc1cccnc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595845087 348354471 /nfs/dbraw/zinc/35/44/71/348354471.db2.gz YPIGNCPZYKBHFN-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cccnc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595845087 348354473 /nfs/dbraw/zinc/35/44/73/348354473.db2.gz YPIGNCPZYKBHFN-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO CC[N@H+](C[C@@H](CC(C)C)OC)[C@H](C)C#N ZINC000595818472 348358823 /nfs/dbraw/zinc/35/88/23/348358823.db2.gz NUHJECQPSROQKL-VXGBXAGGSA-N 1 2 212.337 2.281 20 30 BEEDLO CC[N@@H+](C[C@@H](CC(C)C)OC)[C@H](C)C#N ZINC000595818472 348358826 /nfs/dbraw/zinc/35/88/26/348358826.db2.gz NUHJECQPSROQKL-VXGBXAGGSA-N 1 2 212.337 2.281 20 30 BEEDLO CC[N@H+](C[C@@H](OC)C1CCCC1)[C@H](C)C#N ZINC000595818959 348359582 /nfs/dbraw/zinc/35/95/82/348359582.db2.gz QMINNSLHVTWHBC-DGCLKSJQSA-N 1 2 224.348 2.426 20 30 BEEDLO CC[N@@H+](C[C@@H](OC)C1CCCC1)[C@H](C)C#N ZINC000595818959 348359585 /nfs/dbraw/zinc/35/95/85/348359585.db2.gz QMINNSLHVTWHBC-DGCLKSJQSA-N 1 2 224.348 2.426 20 30 BEEDLO CC[N@H+](C[C@@H]1CCO[C@H](C)C1)[C@H](C)C#N ZINC000595819776 348360445 /nfs/dbraw/zinc/36/04/45/348360445.db2.gz DVEBBWMZAFKNKY-IJLUTSLNSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@@H+](C[C@@H]1CCO[C@H](C)C1)[C@H](C)C#N ZINC000595819776 348360447 /nfs/dbraw/zinc/36/04/47/348360447.db2.gz DVEBBWMZAFKNKY-IJLUTSLNSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@H+](C[C@@H](O)CCc1ccccc1)[C@@H](C)C#N ZINC000595821362 348363237 /nfs/dbraw/zinc/36/32/37/348363237.db2.gz USRZAFXNVPLAFO-ZFWWWQNUSA-N 1 2 246.354 2.214 20 30 BEEDLO CC[N@@H+](C[C@@H](O)CCc1ccccc1)[C@@H](C)C#N ZINC000595821362 348363238 /nfs/dbraw/zinc/36/32/38/348363238.db2.gz USRZAFXNVPLAFO-ZFWWWQNUSA-N 1 2 246.354 2.214 20 30 BEEDLO CC[N@H+](C[C@@H](O)CCc1ccccc1)[C@H](C)C#N ZINC000595821360 348363289 /nfs/dbraw/zinc/36/32/89/348363289.db2.gz USRZAFXNVPLAFO-HIFRSBDPSA-N 1 2 246.354 2.214 20 30 BEEDLO CC[N@@H+](C[C@@H](O)CCc1ccccc1)[C@H](C)C#N ZINC000595821360 348363292 /nfs/dbraw/zinc/36/32/92/348363292.db2.gz USRZAFXNVPLAFO-HIFRSBDPSA-N 1 2 246.354 2.214 20 30 BEEDLO CC[N@H+](C[C@H](O)C1CCCCC1)[C@H](C)C#N ZINC000595821437 348363634 /nfs/dbraw/zinc/36/36/34/348363634.db2.gz WFNVTOFXCWVZME-YPMHNXCESA-N 1 2 224.348 2.162 20 30 BEEDLO CC[N@@H+](C[C@H](O)C1CCCCC1)[C@H](C)C#N ZINC000595821437 348363636 /nfs/dbraw/zinc/36/36/36/348363636.db2.gz WFNVTOFXCWVZME-YPMHNXCESA-N 1 2 224.348 2.162 20 30 BEEDLO CC[N@H+](C[C@@H](O)C1CCCCC1)[C@@H](C)C#N ZINC000595821436 348363645 /nfs/dbraw/zinc/36/36/45/348363645.db2.gz WFNVTOFXCWVZME-WCQYABFASA-N 1 2 224.348 2.162 20 30 BEEDLO CC[N@@H+](C[C@@H](O)C1CCCCC1)[C@@H](C)C#N ZINC000595821436 348363647 /nfs/dbraw/zinc/36/36/47/348363647.db2.gz WFNVTOFXCWVZME-WCQYABFASA-N 1 2 224.348 2.162 20 30 BEEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595919202 348401090 /nfs/dbraw/zinc/40/10/90/348401090.db2.gz UYBIDHBJGVZJFV-GXSJLCMTSA-N 1 2 232.274 2.035 20 30 BEEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595919202 348401092 /nfs/dbraw/zinc/40/10/92/348401092.db2.gz UYBIDHBJGVZJFV-GXSJLCMTSA-N 1 2 232.274 2.035 20 30 BEEDLO C[C@@H]1C[N@H+](CCCC#N)C[C@@](C)(C(F)F)O1 ZINC000595922339 348401829 /nfs/dbraw/zinc/40/18/29/348401829.db2.gz OWFUKQPKWWLNQZ-KOLCDFICSA-N 1 2 232.274 2.035 20 30 BEEDLO C[C@@H]1C[N@@H+](CCCC#N)C[C@@](C)(C(F)F)O1 ZINC000595922339 348401831 /nfs/dbraw/zinc/40/18/31/348401831.db2.gz OWFUKQPKWWLNQZ-KOLCDFICSA-N 1 2 232.274 2.035 20 30 BEEDLO Cc1cc(NCCCOC(C)(C)C)c(C#N)c[nH+]1 ZINC000596464657 348544491 /nfs/dbraw/zinc/54/44/91/348544491.db2.gz JILLUXINXHBLPQ-UHFFFAOYSA-N 1 2 247.342 2.301 20 30 BEEDLO Cc1cc(N2CC(CC#N)C2)nc(C2CC2)[nH+]1 ZINC000596431989 348545389 /nfs/dbraw/zinc/54/53/89/348545389.db2.gz GDWJWRODAGUZFL-UHFFFAOYSA-N 1 2 228.299 2.012 20 30 BEEDLO N#CC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000596321360 348506679 /nfs/dbraw/zinc/50/66/79/348506679.db2.gz HDDFPMLVPINHER-LLVKDONJSA-N 1 2 201.273 2.212 20 30 BEEDLO Cc1ccc(C#N)c(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000596542203 348583619 /nfs/dbraw/zinc/58/36/19/348583619.db2.gz KVBWCKWLDLWZGY-JTQLQIEISA-N 1 2 241.298 2.168 20 30 BEEDLO C[C@@H](CC#N)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000597010862 348649965 /nfs/dbraw/zinc/64/99/65/348649965.db2.gz XTTYKCJOVDTMDL-WDEREUQCSA-N 1 2 246.314 2.013 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1c(C2CC2)cnn1C ZINC000597086343 348655882 /nfs/dbraw/zinc/65/58/82/348655882.db2.gz LCGRUTHWCUHURA-LLVKDONJSA-N 1 2 232.331 2.079 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnn1CC1CC1 ZINC000597087640 348656657 /nfs/dbraw/zinc/65/66/57/348656657.db2.gz VCXCKHVHPOBCND-LBPRGKRZSA-N 1 2 232.331 2.075 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000597087199 348656754 /nfs/dbraw/zinc/65/67/54/348656754.db2.gz QYFOXQUVHNLCNW-GFCCVEGCSA-N 1 2 246.358 2.469 20 30 BEEDLO N#CC1(C[NH2+]Cc2cc3n(n2)CCC3)CCCC1 ZINC000597157748 348666199 /nfs/dbraw/zinc/66/61/99/348666199.db2.gz JRBPTRAHVFFHSI-UHFFFAOYSA-N 1 2 244.342 2.003 20 30 BEEDLO COc1cccc(C[NH+]2CC(CC#N)C2)c1F ZINC000597204219 348677802 /nfs/dbraw/zinc/67/78/02/348677802.db2.gz UMXBMKMQKSFALX-UHFFFAOYSA-N 1 2 234.274 2.180 20 30 BEEDLO COCc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000597229098 348696585 /nfs/dbraw/zinc/69/65/85/348696585.db2.gz JACXUNHKIYFBKB-ZDUSSCGKSA-N 1 2 234.299 2.162 20 30 BEEDLO COCc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000597229098 348696590 /nfs/dbraw/zinc/69/65/90/348696590.db2.gz JACXUNHKIYFBKB-ZDUSSCGKSA-N 1 2 234.299 2.162 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(O)c2)C1 ZINC000597229193 348697099 /nfs/dbraw/zinc/69/70/99/348697099.db2.gz JRERFKTVQMERHI-ZDUSSCGKSA-N 1 2 216.284 2.128 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000597229193 348697101 /nfs/dbraw/zinc/69/71/01/348697101.db2.gz JRERFKTVQMERHI-ZDUSSCGKSA-N 1 2 216.284 2.128 20 30 BEEDLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597229313 348697456 /nfs/dbraw/zinc/69/74/56/348697456.db2.gz KYZGGHGXCVFIFJ-AWEZNQCLSA-N 1 2 246.358 2.443 20 30 BEEDLO CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597229313 348697461 /nfs/dbraw/zinc/69/74/61/348697461.db2.gz KYZGGHGXCVFIFJ-AWEZNQCLSA-N 1 2 246.358 2.443 20 30 BEEDLO CCc1ncc(C[N@@H+]2CC[C@](C)(C#N)C2)s1 ZINC000597229991 348697532 /nfs/dbraw/zinc/69/75/32/348697532.db2.gz OLIWMPZCHLLOBX-GFCCVEGCSA-N 1 2 235.356 2.441 20 30 BEEDLO CCc1ncc(C[N@H+]2CC[C@](C)(C#N)C2)s1 ZINC000597229991 348697536 /nfs/dbraw/zinc/69/75/36/348697536.db2.gz OLIWMPZCHLLOBX-GFCCVEGCSA-N 1 2 235.356 2.441 20 30 BEEDLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597229314 348697649 /nfs/dbraw/zinc/69/76/49/348697649.db2.gz KYZGGHGXCVFIFJ-CQSZACIVSA-N 1 2 246.358 2.443 20 30 BEEDLO CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597229314 348697652 /nfs/dbraw/zinc/69/76/52/348697652.db2.gz KYZGGHGXCVFIFJ-CQSZACIVSA-N 1 2 246.358 2.443 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000597229326 348697773 /nfs/dbraw/zinc/69/77/73/348697773.db2.gz LECFMZCJLNFMLH-OAHLLOKOSA-N 1 2 242.322 2.357 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000597229326 348697775 /nfs/dbraw/zinc/69/77/75/348697775.db2.gz LECFMZCJLNFMLH-OAHLLOKOSA-N 1 2 242.322 2.357 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000597229978 348698027 /nfs/dbraw/zinc/69/80/27/348698027.db2.gz OLAPZJASKXLELY-LBPRGKRZSA-N 1 2 231.324 2.355 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000597229978 348698029 /nfs/dbraw/zinc/69/80/29/348698029.db2.gz OLAPZJASKXLELY-LBPRGKRZSA-N 1 2 231.324 2.355 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000597232384 348699396 /nfs/dbraw/zinc/69/93/96/348699396.db2.gz UAZFZSAPHMFKIX-CQSZACIVSA-N 1 2 242.326 2.090 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000597232384 348699397 /nfs/dbraw/zinc/69/93/97/348699397.db2.gz UAZFZSAPHMFKIX-CQSZACIVSA-N 1 2 242.326 2.090 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000597231714 348699883 /nfs/dbraw/zinc/69/98/83/348699883.db2.gz OFTSBKQSUXYKEE-OAHLLOKOSA-N 1 2 241.338 2.306 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000597231714 348699887 /nfs/dbraw/zinc/69/98/87/348699887.db2.gz OFTSBKQSUXYKEE-OAHLLOKOSA-N 1 2 241.338 2.306 20 30 BEEDLO Cc1cc(NCC[C@@H]2CC2(F)F)c(C#N)c[nH+]1 ZINC000598640247 349008104 /nfs/dbraw/zinc/00/81/04/349008104.db2.gz XIFCJZGCMDZWFQ-SNVBAGLBSA-N 1 2 237.253 2.141 20 30 BEEDLO CCOc1cncc(C[NH2+][C@H](CC)CC#N)c1 ZINC000598674350 349019424 /nfs/dbraw/zinc/01/94/24/349019424.db2.gz RCPSXEGGJSBCIP-GFCCVEGCSA-N 1 2 233.315 2.262 20 30 BEEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCCC#N ZINC000598950764 349071387 /nfs/dbraw/zinc/07/13/87/349071387.db2.gz URJOTISLGNTHMO-LLVKDONJSA-N 1 2 243.310 2.133 20 30 BEEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCCC#N ZINC000598950764 349071391 /nfs/dbraw/zinc/07/13/91/349071391.db2.gz URJOTISLGNTHMO-LLVKDONJSA-N 1 2 243.310 2.133 20 30 BEEDLO C=CCC[N@@H+]1CCc2occc2[C@H]1C(=O)OCC ZINC000599544795 349214127 /nfs/dbraw/zinc/21/41/27/349214127.db2.gz LNRLFBDUBWFCNC-ZDUSSCGKSA-N 1 2 249.310 2.318 20 30 BEEDLO C=CCC[N@H+]1CCc2occc2[C@H]1C(=O)OCC ZINC000599544795 349214131 /nfs/dbraw/zinc/21/41/31/349214131.db2.gz LNRLFBDUBWFCNC-ZDUSSCGKSA-N 1 2 249.310 2.318 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1 ZINC000599643568 349239207 /nfs/dbraw/zinc/23/92/07/349239207.db2.gz NWZQQYAGIYOXCH-CQSZACIVSA-N 1 2 248.301 2.119 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1 ZINC000599643568 349239209 /nfs/dbraw/zinc/23/92/09/349239209.db2.gz NWZQQYAGIYOXCH-CQSZACIVSA-N 1 2 248.301 2.119 20 30 BEEDLO CCn1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000354032948 349231435 /nfs/dbraw/zinc/23/14/35/349231435.db2.gz GNUBNJMUPKLUTJ-NSHDSACASA-N 1 2 232.331 2.027 20 30 BEEDLO CCn1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000354032948 349231437 /nfs/dbraw/zinc/23/14/37/349231437.db2.gz GNUBNJMUPKLUTJ-NSHDSACASA-N 1 2 232.331 2.027 20 30 BEEDLO C[C@@H]1C[N@@H+](CCC#N)C[C@H](C)C1(F)F ZINC000599514208 349204371 /nfs/dbraw/zinc/20/43/71/349204371.db2.gz VMQVYPCXUVOWOR-DTORHVGOSA-N 1 2 202.248 2.123 20 30 BEEDLO C[C@@H]1C[N@H+](CCC#N)C[C@H](C)C1(F)F ZINC000599514208 349204374 /nfs/dbraw/zinc/20/43/74/349204374.db2.gz VMQVYPCXUVOWOR-DTORHVGOSA-N 1 2 202.248 2.123 20 30 BEEDLO Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)o1 ZINC000601941083 349392854 /nfs/dbraw/zinc/39/28/54/349392854.db2.gz OTHLYEKPQMDNHN-NSHDSACASA-N 1 2 217.272 2.121 20 30 BEEDLO C=CC[N@@H+](CCC)CC(=O)OC(C)(C)C ZINC000186320169 349421565 /nfs/dbraw/zinc/42/15/65/349421565.db2.gz UKWPLMBVFOBMRA-UHFFFAOYSA-N 1 2 213.321 2.226 20 30 BEEDLO C=CC[N@H+](CCC)CC(=O)OC(C)(C)C ZINC000186320169 349421570 /nfs/dbraw/zinc/42/15/70/349421570.db2.gz UKWPLMBVFOBMRA-UHFFFAOYSA-N 1 2 213.321 2.226 20 30 BEEDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093340126 191038100 /nfs/dbraw/zinc/03/81/00/191038100.db2.gz PSAHAYDNRDHWBB-GFCCVEGCSA-N 1 2 248.326 2.398 20 30 BEEDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(C#N)o1 ZINC000093340126 191038103 /nfs/dbraw/zinc/03/81/03/191038103.db2.gz PSAHAYDNRDHWBB-GFCCVEGCSA-N 1 2 248.326 2.398 20 30 BEEDLO C=C(C)C[N@@H+](CC(=O)OCC)C(C)(C)C ZINC000152102371 191068693 /nfs/dbraw/zinc/06/86/93/191068693.db2.gz YUHOVRJPENLWKA-UHFFFAOYSA-N 1 2 213.321 2.226 20 30 BEEDLO C=C(C)C[N@H+](CC(=O)OCC)C(C)(C)C ZINC000152102371 191068697 /nfs/dbraw/zinc/06/86/97/191068697.db2.gz YUHOVRJPENLWKA-UHFFFAOYSA-N 1 2 213.321 2.226 20 30 BEEDLO C=CC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000117942484 350304524 /nfs/dbraw/zinc/30/45/24/350304524.db2.gz PAEJZEXXELJQTF-WCQYABFASA-N 1 2 233.311 2.455 20 30 BEEDLO C=C[C@H]([NH2+][C@@H](CCC)C1CCC1)C(=O)OC ZINC000324691122 350311573 /nfs/dbraw/zinc/31/15/73/350311573.db2.gz SZFDAVZDJMYRTC-RYUDHWBXSA-N 1 2 225.332 2.272 20 30 BEEDLO C=CC[C@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583641 350373018 /nfs/dbraw/zinc/37/30/18/350373018.db2.gz IZSKHGBXYFDUNU-JTQLQIEISA-N 1 2 244.298 2.420 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cccc(O)c1Cl ZINC000328203783 350392770 /nfs/dbraw/zinc/39/27/70/350392770.db2.gz GXMYXHVDYSZJFV-MRVPVSSYSA-N 1 2 224.691 2.295 20 30 BEEDLO N#CCC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000336647625 350416897 /nfs/dbraw/zinc/41/68/97/350416897.db2.gz MOZKDWPSOBCYSD-CYBMUJFWSA-N 1 2 200.285 2.217 20 30 BEEDLO N#CCC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000336647625 350416899 /nfs/dbraw/zinc/41/68/99/350416899.db2.gz MOZKDWPSOBCYSD-CYBMUJFWSA-N 1 2 200.285 2.217 20 30 BEEDLO CC[N@@H+](Cc1cnc(C)s1)C[C@H](C)C#N ZINC000336653015 350420057 /nfs/dbraw/zinc/42/00/57/350420057.db2.gz XNBYZKDDJKWOSX-SECBINFHSA-N 1 2 223.345 2.433 20 30 BEEDLO CC[N@H+](Cc1cnc(C)s1)C[C@H](C)C#N ZINC000336653015 350420061 /nfs/dbraw/zinc/42/00/61/350420061.db2.gz XNBYZKDDJKWOSX-SECBINFHSA-N 1 2 223.345 2.433 20 30 BEEDLO CC1(C[N@H+](CCC#N)Cc2ccco2)COC1 ZINC000336684379 350440225 /nfs/dbraw/zinc/44/02/25/350440225.db2.gz FCNWVYWZHQWJSM-UHFFFAOYSA-N 1 2 234.299 2.032 20 30 BEEDLO CC1(C[N@@H+](CCC#N)Cc2ccco2)COC1 ZINC000336684379 350440230 /nfs/dbraw/zinc/44/02/30/350440230.db2.gz FCNWVYWZHQWJSM-UHFFFAOYSA-N 1 2 234.299 2.032 20 30 BEEDLO C=C[C@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000336781958 350511125 /nfs/dbraw/zinc/51/11/25/350511125.db2.gz WERAIZTTZJOBQX-JTQLQIEISA-N 1 2 218.304 2.063 20 30 BEEDLO C=C[C@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000336781958 350511126 /nfs/dbraw/zinc/51/11/26/350511126.db2.gz WERAIZTTZJOBQX-JTQLQIEISA-N 1 2 218.304 2.063 20 30 BEEDLO Cc1nc(C[NH+]2CCC(C)(C#N)CC2)oc1C ZINC000227354529 350493601 /nfs/dbraw/zinc/49/36/01/350493601.db2.gz CLNKWOHAWJBQEW-UHFFFAOYSA-N 1 2 233.315 2.417 20 30 BEEDLO C=CCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606903427 350626799 /nfs/dbraw/zinc/62/67/99/350626799.db2.gz YIGHKGXCAFNPPU-VIFPVBQESA-N 1 2 223.238 2.216 20 30 BEEDLO C=CCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000606903427 350626802 /nfs/dbraw/zinc/62/68/02/350626802.db2.gz YIGHKGXCAFNPPU-VIFPVBQESA-N 1 2 223.238 2.216 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000339754188 350818599 /nfs/dbraw/zinc/81/85/99/350818599.db2.gz NCAHBGQZFDPWCX-UHFFFAOYSA-N 1 2 248.282 2.059 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000339754188 350818602 /nfs/dbraw/zinc/81/86/02/350818602.db2.gz NCAHBGQZFDPWCX-UHFFFAOYSA-N 1 2 248.282 2.059 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000339764554 350823852 /nfs/dbraw/zinc/82/38/52/350823852.db2.gz SUXRZGKQSOHXQK-UHFFFAOYSA-N 1 2 232.258 2.422 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000339764554 350823856 /nfs/dbraw/zinc/82/38/56/350823856.db2.gz SUXRZGKQSOHXQK-UHFFFAOYSA-N 1 2 232.258 2.422 20 30 BEEDLO C=CC1CC[NH+](Cc2noc(CC)n2)CC1 ZINC000111256862 191130326 /nfs/dbraw/zinc/13/03/26/191130326.db2.gz ZTGQYUPPPZJSIL-UHFFFAOYSA-N 1 2 221.304 2.030 20 30 BEEDLO COc1ccc(C[NH2+]C[C@@H](C)C#N)c(F)c1 ZINC000404952865 351290834 /nfs/dbraw/zinc/29/08/34/351290834.db2.gz RAALGXNADHBWEB-VIFPVBQESA-N 1 2 222.263 2.084 20 30 BEEDLO COc1cc(C#N)ccc1C[N@H+](C)C[C@@H](C)C#N ZINC000271023721 351393642 /nfs/dbraw/zinc/39/36/42/351393642.db2.gz JSWJRBXVVAWLDU-NSHDSACASA-N 1 2 243.310 2.158 20 30 BEEDLO COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000271023721 351393646 /nfs/dbraw/zinc/39/36/46/351393646.db2.gz JSWJRBXVVAWLDU-NSHDSACASA-N 1 2 243.310 2.158 20 30 BEEDLO C#CCOc1ccccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000271137062 351403749 /nfs/dbraw/zinc/40/37/49/351403749.db2.gz SJTCHZZKTXXUBD-ZDUSSCGKSA-N 1 2 242.322 2.290 20 30 BEEDLO C#CCOc1ccccc1C[N@H+](C)C[C@@H](C)C#N ZINC000271137062 351403752 /nfs/dbraw/zinc/40/37/52/351403752.db2.gz SJTCHZZKTXXUBD-ZDUSSCGKSA-N 1 2 242.322 2.290 20 30 BEEDLO Cc1nc(CC[N@@H+](C)C[C@@H](C)C#N)cs1 ZINC000271344906 351412972 /nfs/dbraw/zinc/41/29/72/351412972.db2.gz XQKROLRUUCRWQV-VIFPVBQESA-N 1 2 223.345 2.086 20 30 BEEDLO Cc1nc(CC[N@H+](C)C[C@@H](C)C#N)cs1 ZINC000271344906 351412975 /nfs/dbraw/zinc/41/29/75/351412975.db2.gz XQKROLRUUCRWQV-VIFPVBQESA-N 1 2 223.345 2.086 20 30 BEEDLO C[C@@H]1C[C@H](C/[NH+]=C/c2cccc(O)c2O)CCO1 ZINC000271359513 351414210 /nfs/dbraw/zinc/41/42/10/351414210.db2.gz MYZQEXBVBSVKTI-SCVIVROUSA-N 1 2 249.310 2.332 20 30 BEEDLO CC1(C#N)CCN(c2cccc[nH+]2)CC1 ZINC000272576569 351486661 /nfs/dbraw/zinc/48/66/61/351486661.db2.gz XQWUAPPMQUKZER-UHFFFAOYSA-N 1 2 201.273 2.212 20 30 BEEDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](C)C#N ZINC000273418520 351528176 /nfs/dbraw/zinc/52/81/76/351528176.db2.gz IXFYJRTVDNZDHS-SNVBAGLBSA-N 1 2 247.298 2.495 20 30 BEEDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](C)C#N ZINC000273418520 351528181 /nfs/dbraw/zinc/52/81/81/351528181.db2.gz IXFYJRTVDNZDHS-SNVBAGLBSA-N 1 2 247.298 2.495 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cc(C(N)=O)cs1 ZINC000158142097 166335929 /nfs/dbraw/zinc/33/59/29/166335929.db2.gz PMSJPWCGEASVDK-UHFFFAOYSA-N 1 2 236.340 2.021 20 30 BEEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnccn1 ZINC000577715738 366041088 /nfs/dbraw/zinc/04/10/88/366041088.db2.gz VNWCNOQRLAHWKV-UHFFFAOYSA-N 1 2 232.331 2.238 20 30 BEEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnccn1 ZINC000577715738 366041092 /nfs/dbraw/zinc/04/10/92/366041092.db2.gz VNWCNOQRLAHWKV-UHFFFAOYSA-N 1 2 232.331 2.238 20 30 BEEDLO C[N@H+](Cc1cscn1)[C@@H]1CC[C@H](C#N)C1 ZINC000278651260 351774668 /nfs/dbraw/zinc/77/46/68/351774668.db2.gz PVTCSNBMZBWRHG-GXSJLCMTSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1cscn1)[C@@H]1CC[C@H](C#N)C1 ZINC000278651260 351774671 /nfs/dbraw/zinc/77/46/71/351774671.db2.gz PVTCSNBMZBWRHG-GXSJLCMTSA-N 1 2 221.329 2.267 20 30 BEEDLO Cc1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)cc1C ZINC000284039311 351990455 /nfs/dbraw/zinc/99/04/55/351990455.db2.gz IWFQAWHZKKQNQV-ZDUSSCGKSA-N 1 2 248.326 2.271 20 30 BEEDLO CCc1ccc(CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284447724 351997400 /nfs/dbraw/zinc/99/74/00/351997400.db2.gz PTUSJUBQDVTZDP-ZDUSSCGKSA-N 1 2 248.326 2.217 20 30 BEEDLO CCc1cccc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284582338 352000533 /nfs/dbraw/zinc/00/05/33/352000533.db2.gz XLUISOWMKIMFEI-ZDUSSCGKSA-N 1 2 248.326 2.217 20 30 BEEDLO C[C@@H]1COCC[C@@H]1C/[NH+]=C/c1ccccc1O ZINC000285269675 352033197 /nfs/dbraw/zinc/03/31/97/352033197.db2.gz HVMSJSDNVWIITP-ZOPJJOQRSA-N 1 2 233.311 2.484 20 30 BEEDLO CCN(CCC#N)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287702063 352131883 /nfs/dbraw/zinc/13/18/83/352131883.db2.gz ZOGXWLVMRRELPY-UHFFFAOYSA-N 1 2 246.314 2.466 20 30 BEEDLO COc1cc[nH+]cc1COC(=O)CC(C)(C)C#N ZINC000286998342 352110031 /nfs/dbraw/zinc/11/00/31/352110031.db2.gz QBALOIBIRAGNHA-UHFFFAOYSA-N 1 2 248.282 2.073 20 30 BEEDLO C=CC[C@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000340246124 352110577 /nfs/dbraw/zinc/11/05/77/352110577.db2.gz UOBJGWYFYAZTKS-JTQLQIEISA-N 1 2 244.298 2.420 20 30 BEEDLO C=C(C)C[N@@H+](CC)[C@@H](C)c1nnc(C)[nH]1 ZINC000411158442 191163013 /nfs/dbraw/zinc/16/30/13/191163013.db2.gz TWLAGIQJGSPFSN-VIFPVBQESA-N 1 2 208.309 2.072 20 30 BEEDLO C=C(C)C[N@H+](CC)[C@@H](C)c1nnc(C)[nH]1 ZINC000411158442 191163015 /nfs/dbraw/zinc/16/30/15/191163015.db2.gz TWLAGIQJGSPFSN-VIFPVBQESA-N 1 2 208.309 2.072 20 30 BEEDLO N#CCC[N@@H+](CCC1(O)CCC1)Cc1ccco1 ZINC000411116568 191161211 /nfs/dbraw/zinc/16/12/11/191161211.db2.gz YLDMHXPQLFZODJ-UHFFFAOYSA-N 1 2 248.326 2.300 20 30 BEEDLO N#CCC[N@H+](CCC1(O)CCC1)Cc1ccco1 ZINC000411116568 191161213 /nfs/dbraw/zinc/16/12/13/191161213.db2.gz YLDMHXPQLFZODJ-UHFFFAOYSA-N 1 2 248.326 2.300 20 30 BEEDLO C=CC[NH+](CC=C)[C@@H](C)c1nnc(CC)o1 ZINC000411167135 191166198 /nfs/dbraw/zinc/16/61/98/191166198.db2.gz VYZFTQJPHUMSLU-JTQLQIEISA-N 1 2 221.304 2.367 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCCSCC#N ZINC000292195699 352307319 /nfs/dbraw/zinc/30/73/19/352307319.db2.gz NKDUAZIDYLZKSH-UHFFFAOYSA-N 1 2 223.345 2.035 20 30 BEEDLO C=CC[N@H+](CCC#N)CCCSCC#N ZINC000292195699 352307320 /nfs/dbraw/zinc/30/73/20/352307320.db2.gz NKDUAZIDYLZKSH-UHFFFAOYSA-N 1 2 223.345 2.035 20 30 BEEDLO Cc1nc(C)c(C[N@H+](CCC#N)CC2CC2)o1 ZINC000618905010 352343789 /nfs/dbraw/zinc/34/37/89/352343789.db2.gz RKPCJIPCYUJJSR-UHFFFAOYSA-N 1 2 233.315 2.417 20 30 BEEDLO Cc1nc(C)c(C[N@@H+](CCC#N)CC2CC2)o1 ZINC000618905010 352343792 /nfs/dbraw/zinc/34/37/92/352343792.db2.gz RKPCJIPCYUJJSR-UHFFFAOYSA-N 1 2 233.315 2.417 20 30 BEEDLO COC(=O)[C@H](C)[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000411389371 191183121 /nfs/dbraw/zinc/18/31/21/191183121.db2.gz MDEYTUCQNWUFBV-DGCLKSJQSA-N 1 2 246.310 2.040 20 30 BEEDLO Cc1cnc([C@H]([NH2+]CCC#N)C2CC2)s1 ZINC000411517662 191192034 /nfs/dbraw/zinc/19/20/34/191192034.db2.gz NDMQGQFIWVFAPF-SNVBAGLBSA-N 1 2 221.329 2.406 20 30 BEEDLO C[C@H]([NH2+]CCC#N)c1nc2c(s1)CCC2 ZINC000411815942 191213039 /nfs/dbraw/zinc/21/30/39/191213039.db2.gz KQHRKHOAYYRFSH-QMMMGPOBSA-N 1 2 221.329 2.196 20 30 BEEDLO C[C@@H]([NH2+]CCC#N)c1nc2c(s1)CCC2 ZINC000411815940 191213684 /nfs/dbraw/zinc/21/36/84/191213684.db2.gz KQHRKHOAYYRFSH-MRVPVSSYSA-N 1 2 221.329 2.196 20 30 BEEDLO CC#CC[NH2+][C@@H](C)c1csc(CC)n1 ZINC000159846581 187986114 /nfs/dbraw/zinc/98/61/14/187986114.db2.gz VNYBFIBYLIYYGQ-VIFPVBQESA-N 1 2 208.330 2.379 20 30 BEEDLO COc1cc[nH+]cc1NC(=O)C[C@@H]1CCOC1 ZINC000329846156 538109599 /nfs/dbraw/zinc/10/95/99/538109599.db2.gz OTMVROFZLFMATC-VIFPVBQESA-N 1 2 236.271 2.105 20 30 BEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ncc[nH]1 ZINC000609536690 353166101 /nfs/dbraw/zinc/16/61/01/353166101.db2.gz YWOQIPWCWJMDNL-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ncc[nH]1 ZINC000609536690 353166103 /nfs/dbraw/zinc/16/61/03/353166103.db2.gz YWOQIPWCWJMDNL-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C=CC[N@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000126151695 353219631 /nfs/dbraw/zinc/21/96/31/353219631.db2.gz MLSCXGSWGQSNED-GFCCVEGCSA-N 1 2 221.300 2.401 20 30 BEEDLO C=CC[N@@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000126151695 353219634 /nfs/dbraw/zinc/21/96/34/353219634.db2.gz MLSCXGSWGQSNED-GFCCVEGCSA-N 1 2 221.300 2.401 20 30 BEEDLO CC[N@H+](CCC#N)[C@@H](C)c1cnc(C)cn1 ZINC000331198996 353228735 /nfs/dbraw/zinc/22/87/35/353228735.db2.gz XYDKJCVXWSCKSI-NSHDSACASA-N 1 2 218.304 2.082 20 30 BEEDLO CC[N@@H+](CCC#N)[C@@H](C)c1cnc(C)cn1 ZINC000331198996 353228738 /nfs/dbraw/zinc/22/87/38/353228738.db2.gz XYDKJCVXWSCKSI-NSHDSACASA-N 1 2 218.304 2.082 20 30 BEEDLO CCc1noc(C)c1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000331355866 353245964 /nfs/dbraw/zinc/24/59/64/353245964.db2.gz REHBEUOCQITTFB-GWCFXTLKSA-N 1 2 233.315 2.327 20 30 BEEDLO C=CCC1(C(=O)NCCCn2cc[nH+]c2)CCC1 ZINC000190312074 353392935 /nfs/dbraw/zinc/39/29/35/353392935.db2.gz ZBMSFJIKRZXWDD-UHFFFAOYSA-N 1 2 247.342 2.136 20 30 BEEDLO C=CC[C@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000182664154 353488838 /nfs/dbraw/zinc/48/88/38/353488838.db2.gz DARICGCKMLERLK-LLVKDONJSA-N 1 2 233.315 2.011 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000286137251 353557569 /nfs/dbraw/zinc/55/75/69/353557569.db2.gz MZCKARZMZUFXCB-UHFFFAOYSA-N 1 2 218.300 2.396 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000286137251 353557572 /nfs/dbraw/zinc/55/75/72/353557572.db2.gz MZCKARZMZUFXCB-UHFFFAOYSA-N 1 2 218.300 2.396 20 30 BEEDLO C=CCCC[N@@H+](C)[C@H](C)c1noc(C)n1 ZINC000289734130 353638191 /nfs/dbraw/zinc/63/81/91/353638191.db2.gz HRELYOXPDOQRHJ-SECBINFHSA-N 1 2 209.293 2.337 20 30 BEEDLO C=CCCC[N@H+](C)[C@H](C)c1noc(C)n1 ZINC000289734130 353638195 /nfs/dbraw/zinc/63/81/95/353638195.db2.gz HRELYOXPDOQRHJ-SECBINFHSA-N 1 2 209.293 2.337 20 30 BEEDLO C=C[C@@H](C)[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000336782133 353702051 /nfs/dbraw/zinc/70/20/51/353702051.db2.gz WSUJEGURUSWXFT-MRVPVSSYSA-N 1 2 219.263 2.121 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc(C)c(C)s1 ZINC000293177022 353736426 /nfs/dbraw/zinc/73/64/26/353736426.db2.gz PNJBADCBRLJQRF-UHFFFAOYSA-N 1 2 208.330 2.215 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc(C)c(C)s1 ZINC000293177022 353736429 /nfs/dbraw/zinc/73/64/29/353736429.db2.gz PNJBADCBRLJQRF-UHFFFAOYSA-N 1 2 208.330 2.215 20 30 BEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000293375788 353746137 /nfs/dbraw/zinc/74/61/37/353746137.db2.gz JMZHSGURQOWMIP-SVRRBLITSA-N 1 2 204.111 2.235 20 30 BEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293375788 353746140 /nfs/dbraw/zinc/74/61/40/353746140.db2.gz JMZHSGURQOWMIP-SVRRBLITSA-N 1 2 204.111 2.235 20 30 BEEDLO C#C[C@@H](C)[NH2+]Cc1ncc(CSC)s1 ZINC000294743488 353787730 /nfs/dbraw/zinc/78/77/30/353787730.db2.gz QXKZXGNMWLTCGT-MRVPVSSYSA-N 1 2 226.370 2.117 20 30 BEEDLO N#CC1([NH2+]C2CCCCCC2)CCOCC1 ZINC000037970343 181030839 /nfs/dbraw/zinc/03/08/39/181030839.db2.gz IOOQXWVCUSDQQL-UHFFFAOYSA-N 1 2 222.332 2.372 20 30 BEEDLO CC[N@@H+](Cc1cncc(OC)c1)C[C@@H](C)C#N ZINC000343992314 354063480 /nfs/dbraw/zinc/06/34/80/354063480.db2.gz UUIRRYKPSWHLJM-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO CC[N@H+](Cc1cncc(OC)c1)C[C@@H](C)C#N ZINC000343992314 354063484 /nfs/dbraw/zinc/06/34/84/354063484.db2.gz UUIRRYKPSWHLJM-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO C=C[C@@H]([NH2+]CCC1=CCCCC1)C(=O)OC ZINC000301019735 363296591 /nfs/dbraw/zinc/29/65/91/363296591.db2.gz JPDOQZLACAPZME-GFCCVEGCSA-N 1 2 223.316 2.194 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](CC)Cc1cccs1 ZINC000301021185 363333551 /nfs/dbraw/zinc/33/35/51/363333551.db2.gz KIHQSARWGJCMFZ-NSHDSACASA-N 1 2 239.340 2.298 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](CC)Cc1cccs1 ZINC000301021185 363333559 /nfs/dbraw/zinc/33/35/59/363333559.db2.gz KIHQSARWGJCMFZ-NSHDSACASA-N 1 2 239.340 2.298 20 30 BEEDLO N#Cc1cc(F)c(NCCn2cc[nH+]c2)c(F)c1 ZINC000129946175 181087050 /nfs/dbraw/zinc/08/70/50/181087050.db2.gz MHBWOOBQYZBLAS-UHFFFAOYSA-N 1 2 248.236 2.145 20 30 BEEDLO C=CCCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000344520382 354275866 /nfs/dbraw/zinc/27/58/66/354275866.db2.gz PDHKBYXZLXDZMR-UHFFFAOYSA-N 1 2 229.283 2.030 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000334624332 354363643 /nfs/dbraw/zinc/36/36/43/354363643.db2.gz IJOKQHRHRPMVEU-YPMHNXCESA-N 1 2 243.310 2.329 20 30 BEEDLO CO[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000171385453 366187890 /nfs/dbraw/zinc/18/78/90/366187890.db2.gz LVBGKEDYHPBYLC-AWEZNQCLSA-N 1 2 248.301 2.308 20 30 BEEDLO CO[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000171385453 366187898 /nfs/dbraw/zinc/18/78/98/366187898.db2.gz LVBGKEDYHPBYLC-AWEZNQCLSA-N 1 2 248.301 2.308 20 30 BEEDLO N#Cc1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC000020585585 181126928 /nfs/dbraw/zinc/12/69/28/181126928.db2.gz UTKQSQSGAQOUJW-UHFFFAOYSA-N 1 2 210.240 2.279 20 30 BEEDLO C=C[C@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)OC ZINC000301053043 363394904 /nfs/dbraw/zinc/39/49/04/363394904.db2.gz XJGXWOCKMIEKKQ-JQWIXIFHSA-N 1 2 225.332 2.272 20 30 BEEDLO C=C[C@@H]([NH2+][C@H](C)C1CCCCC1)C(=O)OC ZINC000301053045 363395170 /nfs/dbraw/zinc/39/51/70/363395170.db2.gz XJGXWOCKMIEKKQ-ZYHUDNBSSA-N 1 2 225.332 2.272 20 30 BEEDLO C=C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)OC ZINC000301053042 363395311 /nfs/dbraw/zinc/39/53/11/363395311.db2.gz XJGXWOCKMIEKKQ-CMPLNLGQSA-N 1 2 225.332 2.272 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)OC ZINC000301051889 363396752 /nfs/dbraw/zinc/39/67/52/363396752.db2.gz VAPBKORMMBFNSW-FIQHERPVSA-N 1 2 225.332 2.128 20 30 BEEDLO C[C@H]1Cc2ccccc2C[N@@H+]1CCC#N ZINC000335166233 354923870 /nfs/dbraw/zinc/92/38/70/354923870.db2.gz YGSSDUDJLLNEPX-NSHDSACASA-N 1 2 200.285 2.347 20 30 BEEDLO C[C@H]1Cc2ccccc2C[N@H+]1CCC#N ZINC000335166233 354923874 /nfs/dbraw/zinc/92/38/74/354923874.db2.gz YGSSDUDJLLNEPX-NSHDSACASA-N 1 2 200.285 2.347 20 30 BEEDLO CCC[N@H+](CC#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000355691545 535274252 /nfs/dbraw/zinc/27/42/52/535274252.db2.gz HQQPOBONEDLXTP-QJPTWQEYSA-N 1 2 222.332 2.035 20 30 BEEDLO CCC[N@@H+](CC#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000355691545 535274260 /nfs/dbraw/zinc/27/42/60/535274260.db2.gz HQQPOBONEDLXTP-QJPTWQEYSA-N 1 2 222.332 2.035 20 30 BEEDLO CC1(C#N)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000356474953 535275206 /nfs/dbraw/zinc/27/52/06/535275206.db2.gz MAGKXHKHAWNLKP-GFCCVEGCSA-N 1 2 230.315 2.056 20 30 BEEDLO C[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)CCC1(F)F ZINC000352003771 134034900 /nfs/dbraw/zinc/03/49/00/134034900.db2.gz AJDSOMWKEGNEDQ-WDEREUQCSA-N 1 2 241.285 2.407 20 30 BEEDLO C[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCC1(F)F ZINC000352003771 134034901 /nfs/dbraw/zinc/03/49/01/134034901.db2.gz AJDSOMWKEGNEDQ-WDEREUQCSA-N 1 2 241.285 2.407 20 30 BEEDLO N#CC1(C[N@@H+]2CCOC[C@H]2C2CCC2)CCC1 ZINC000335436432 355307848 /nfs/dbraw/zinc/30/78/48/355307848.db2.gz XYAQCMVJGNFTIT-ZDUSSCGKSA-N 1 2 234.343 2.181 20 30 BEEDLO N#CC1(C[N@H+]2CCOC[C@H]2C2CCC2)CCC1 ZINC000335436432 355307849 /nfs/dbraw/zinc/30/78/49/355307849.db2.gz XYAQCMVJGNFTIT-ZDUSSCGKSA-N 1 2 234.343 2.181 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cnc(C(C)C)s1 ZINC000093461362 355367751 /nfs/dbraw/zinc/36/77/51/355367751.db2.gz RDVQNGCFPMUNCE-UHFFFAOYSA-N 1 2 232.352 2.335 20 30 BEEDLO C[C@@H]1C[C@H](Nc2cccc(C#N)n2)c2[nH+]ccn21 ZINC000582162858 355349663 /nfs/dbraw/zinc/34/96/63/355349663.db2.gz UJXFAKKVSUSNNU-KOLCDFICSA-N 1 2 239.282 2.268 20 30 BEEDLO C=C1CC[NH+](Cc2nnc(C3CCC3)n2C)CC1 ZINC000335793194 355446638 /nfs/dbraw/zinc/44/66/38/355446638.db2.gz QPIJEWBRHIPGNG-UHFFFAOYSA-N 1 2 246.358 2.235 20 30 BEEDLO CCCCCn1cc(C[NH2+]CCC#N)c(C)n1 ZINC000583559766 355611016 /nfs/dbraw/zinc/61/10/16/355611016.db2.gz JPMXFGWLECNNDF-UHFFFAOYSA-N 1 2 234.347 2.385 20 30 BEEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1ccccn1 ZINC000350349676 355683250 /nfs/dbraw/zinc/68/32/50/355683250.db2.gz DJPFCIUBDUXQQA-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccccn1 ZINC000350349676 355683253 /nfs/dbraw/zinc/68/32/53/355683253.db2.gz DJPFCIUBDUXQQA-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C=C(C)C[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623256717 355973140 /nfs/dbraw/zinc/97/31/40/355973140.db2.gz RQWARDWFEMZMPB-UHFFFAOYSA-N 1 2 230.311 2.041 20 30 BEEDLO C=C(C)C[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623256717 355973143 /nfs/dbraw/zinc/97/31/43/355973143.db2.gz RQWARDWFEMZMPB-UHFFFAOYSA-N 1 2 230.311 2.041 20 30 BEEDLO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000613481860 363458767 /nfs/dbraw/zinc/45/87/67/363458767.db2.gz LZBRRXIDTPFIRM-AAEUAGOBSA-N 1 2 230.315 2.163 20 30 BEEDLO C[C@@H](c1cnccn1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000613481860 363458775 /nfs/dbraw/zinc/45/87/75/363458775.db2.gz LZBRRXIDTPFIRM-AAEUAGOBSA-N 1 2 230.315 2.163 20 30 BEEDLO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CC12CCCC2 ZINC000329999141 356157435 /nfs/dbraw/zinc/15/74/35/356157435.db2.gz UFOKFMBQJRGTAQ-VIFPVBQESA-N 1 2 219.288 2.447 20 30 BEEDLO C=C1CC[NH+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC000336148651 134103277 /nfs/dbraw/zinc/10/32/77/134103277.db2.gz PPBFHSOOGRIOIX-JTQLQIEISA-N 1 2 221.304 2.345 20 30 BEEDLO C=C[C@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420801920 192261418 /nfs/dbraw/zinc/26/14/18/192261418.db2.gz FAEUEXBXVGXRIC-VIFPVBQESA-N 1 2 233.315 2.072 20 30 BEEDLO C=C(C)CN(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420843274 192266824 /nfs/dbraw/zinc/26/68/24/192266824.db2.gz FIAJTJNDMDHTIS-UHFFFAOYSA-N 1 2 247.342 2.416 20 30 BEEDLO CC(C)OCCC/[NH+]=C/c1cccc(O)c1O ZINC000299274117 535320987 /nfs/dbraw/zinc/32/09/87/535320987.db2.gz OYYOZSRXBLULHJ-NTEUORMPSA-N 1 2 237.299 2.332 20 30 BEEDLO C=CCC1(C(=O)NCc2[nH]c[nH+]c2C)CCCC1 ZINC000450024329 202067896 /nfs/dbraw/zinc/06/78/96/202067896.db2.gz GYBWPZNEWPKXKD-UHFFFAOYSA-N 1 2 247.342 2.471 20 30 BEEDLO N#C[C@H]1[N@H+](CC2CC2)CCC[C@]12CCCCO2 ZINC000336551078 134149770 /nfs/dbraw/zinc/14/97/70/134149770.db2.gz IGUUJQPHJUYLCG-ZIAGYGMSSA-N 1 2 234.343 2.324 20 30 BEEDLO N#C[C@H]1[N@@H+](CC2CC2)CCC[C@]12CCCCO2 ZINC000336551078 134149771 /nfs/dbraw/zinc/14/97/71/134149771.db2.gz IGUUJQPHJUYLCG-ZIAGYGMSSA-N 1 2 234.343 2.324 20 30 BEEDLO C=C(C)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000302026192 134157277 /nfs/dbraw/zinc/15/72/77/134157277.db2.gz GUHDREZBZWCVOI-UHFFFAOYSA-N 1 2 203.289 2.366 20 30 BEEDLO N#CCCCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353172276 134162351 /nfs/dbraw/zinc/16/23/51/134162351.db2.gz NIMHISXCAAHTJL-SECBINFHSA-N 1 2 202.248 2.410 20 30 BEEDLO N#CCCCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353172276 134162352 /nfs/dbraw/zinc/16/23/52/134162352.db2.gz NIMHISXCAAHTJL-SECBINFHSA-N 1 2 202.248 2.410 20 30 BEEDLO Cc1ccncc1C[N@@H+](C)CC(C)(C)C#N ZINC000354016657 134166144 /nfs/dbraw/zinc/16/61/44/134166144.db2.gz BKBFQXGFNPBWJR-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO Cc1ccncc1C[N@H+](C)CC(C)(C)C#N ZINC000354016657 134166145 /nfs/dbraw/zinc/16/61/45/134166145.db2.gz BKBFQXGFNPBWJR-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO C=CCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000354662084 134169529 /nfs/dbraw/zinc/16/95/29/134169529.db2.gz AONMXQMBZANMRI-UHFFFAOYSA-N 1 2 240.310 2.175 20 30 BEEDLO N#CCC[N@H+](CC1CC1)CC1(C#N)CCC1 ZINC000450463933 202173143 /nfs/dbraw/zinc/17/31/43/202173143.db2.gz UFGVFBQVHZRKKV-UHFFFAOYSA-N 1 2 217.316 2.306 20 30 BEEDLO N#CCC[N@@H+](CC1CC1)CC1(C#N)CCC1 ZINC000450463933 202173145 /nfs/dbraw/zinc/17/31/45/202173145.db2.gz UFGVFBQVHZRKKV-UHFFFAOYSA-N 1 2 217.316 2.306 20 30 BEEDLO C=CCCN(C)c1nc(NC)c2ccccc2[nH+]1 ZINC000450469250 202174231 /nfs/dbraw/zinc/17/42/31/202174231.db2.gz PHHFJWDRHDTBCR-UHFFFAOYSA-N 1 2 242.326 2.106 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000355764580 134175116 /nfs/dbraw/zinc/17/51/16/134175116.db2.gz HQCKVHVZLXTVRB-NSHDSACASA-N 1 2 235.331 2.203 20 30 BEEDLO CC[C@H]1C[C@H](C[N@H+](CC)CC#N)CCO1 ZINC000356976404 134181068 /nfs/dbraw/zinc/18/10/68/134181068.db2.gz CPRIEQQKKAYFIU-NEPJUHHUSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[C@H]1C[C@H](C[N@@H+](CC)CC#N)CCO1 ZINC000356976404 134181069 /nfs/dbraw/zinc/18/10/69/134181069.db2.gz CPRIEQQKKAYFIU-NEPJUHHUSA-N 1 2 210.321 2.037 20 30 BEEDLO C=CC[C@@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000626468431 357005544 /nfs/dbraw/zinc/00/55/44/357005544.db2.gz FIIVKVVZJBRMBR-GFCCVEGCSA-N 1 2 245.326 2.242 20 30 BEEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cncc(F)c1 ZINC000361128749 134203553 /nfs/dbraw/zinc/20/35/53/134203553.db2.gz CRKOVDPZERAAMJ-WDEREUQCSA-N 1 2 246.289 2.315 20 30 BEEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cncc(F)c1 ZINC000361128746 134203681 /nfs/dbraw/zinc/20/36/81/134203681.db2.gz CRKOVDPZERAAMJ-MNOVXSKESA-N 1 2 246.289 2.315 20 30 BEEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cncc(F)c1 ZINC000361128743 134203683 /nfs/dbraw/zinc/20/36/83/134203683.db2.gz CRKOVDPZERAAMJ-GHMZBOCLSA-N 1 2 246.289 2.315 20 30 BEEDLO CC[N@@H+](Cc1cncc(F)c1)C[C@@H](C)C#N ZINC000231892300 357638847 /nfs/dbraw/zinc/63/88/47/357638847.db2.gz RNMOBNLRMCACFX-JTQLQIEISA-N 1 2 221.279 2.202 20 30 BEEDLO CC[N@H+](Cc1cncc(F)c1)C[C@@H](C)C#N ZINC000231892300 357638850 /nfs/dbraw/zinc/63/88/50/357638850.db2.gz RNMOBNLRMCACFX-JTQLQIEISA-N 1 2 221.279 2.202 20 30 BEEDLO C/C(=C\c1ccccc1)C[NH+]1CC(O)(CC#N)C1 ZINC000190980669 357735494 /nfs/dbraw/zinc/73/54/94/357735494.db2.gz PGPFIZVUJHCINH-UKTHLTGXSA-N 1 2 242.322 2.050 20 30 BEEDLO N#CCC[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000368254670 134217870 /nfs/dbraw/zinc/21/78/70/134217870.db2.gz JCEAUXOQGIDVQN-ZDUSSCGKSA-N 1 2 234.274 2.192 20 30 BEEDLO N#CCC[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000368254670 134217871 /nfs/dbraw/zinc/21/78/71/134217871.db2.gz JCEAUXOQGIDVQN-ZDUSSCGKSA-N 1 2 234.274 2.192 20 30 BEEDLO CC[C@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000191934667 357805306 /nfs/dbraw/zinc/80/53/06/357805306.db2.gz BIUGSWACZNUWBJ-HNNXBMFYSA-N 1 2 229.323 2.149 20 30 BEEDLO CC[C@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000191934667 357805307 /nfs/dbraw/zinc/80/53/07/357805307.db2.gz BIUGSWACZNUWBJ-HNNXBMFYSA-N 1 2 229.323 2.149 20 30 BEEDLO COCC#CC[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639929801 357896260 /nfs/dbraw/zinc/89/62/60/357896260.db2.gz PYPGBPOKHVKEQB-CYBMUJFWSA-N 1 2 233.311 2.312 20 30 BEEDLO COCC#CC[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639929801 357896262 /nfs/dbraw/zinc/89/62/62/357896262.db2.gz PYPGBPOKHVKEQB-CYBMUJFWSA-N 1 2 233.311 2.312 20 30 BEEDLO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]CCC#N ZINC000584464926 357992594 /nfs/dbraw/zinc/99/25/94/357992594.db2.gz MWIBQJOTMZDZDW-LBPRGKRZSA-N 1 2 216.284 2.240 20 30 BEEDLO C=CC[N@@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000450769121 202249601 /nfs/dbraw/zinc/24/96/01/202249601.db2.gz XDJRVIFLKXHMKR-UHFFFAOYSA-N 1 2 233.237 2.063 20 30 BEEDLO C=CC[N@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000450769121 202249605 /nfs/dbraw/zinc/24/96/05/202249605.db2.gz XDJRVIFLKXHMKR-UHFFFAOYSA-N 1 2 233.237 2.063 20 30 BEEDLO C=CC[N@@H+](C)Cc1noc(-c2cncc(C)c2)n1 ZINC000450768961 202260487 /nfs/dbraw/zinc/26/04/87/202260487.db2.gz WUJXWDGMIFCRSP-UHFFFAOYSA-N 1 2 244.298 2.058 20 30 BEEDLO C=CC[N@H+](C)Cc1noc(-c2cncc(C)c2)n1 ZINC000450768961 202260489 /nfs/dbraw/zinc/26/04/89/202260489.db2.gz WUJXWDGMIFCRSP-UHFFFAOYSA-N 1 2 244.298 2.058 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1ccncc1 ZINC000042530771 358351927 /nfs/dbraw/zinc/35/19/27/358351927.db2.gz TVLCUWNMZZMIGC-UHFFFAOYSA-N 1 2 203.289 2.206 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1ccncc1 ZINC000042530771 358351931 /nfs/dbraw/zinc/35/19/31/358351931.db2.gz TVLCUWNMZZMIGC-UHFFFAOYSA-N 1 2 203.289 2.206 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc(C#N)ccc1OC ZINC000124640871 358520738 /nfs/dbraw/zinc/52/07/38/358520738.db2.gz LVHPRERBDYEMGJ-UHFFFAOYSA-N 1 2 243.310 2.302 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc(C#N)ccc1OC ZINC000124640871 358520740 /nfs/dbraw/zinc/52/07/40/358520740.db2.gz LVHPRERBDYEMGJ-UHFFFAOYSA-N 1 2 243.310 2.302 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000054341322 358858901 /nfs/dbraw/zinc/85/89/01/358858901.db2.gz MBDNFSACRVRYSO-SNVBAGLBSA-N 1 2 241.722 2.310 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000054341322 358858908 /nfs/dbraw/zinc/85/89/08/358858908.db2.gz MBDNFSACRVRYSO-SNVBAGLBSA-N 1 2 241.722 2.310 20 30 BEEDLO C=C[C@H]([NH2+][C@H](C)[C@@H](C)c1ccccc1)C(=O)OC ZINC000619701948 363632218 /nfs/dbraw/zinc/63/22/18/363632218.db2.gz ATHUSHCDLBDTKS-BZPMIXESSA-N 1 2 247.338 2.496 20 30 BEEDLO C#CC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000247749392 359244239 /nfs/dbraw/zinc/24/42/39/359244239.db2.gz YSXDPMBKHSKBLY-UMVBOHGHSA-N 1 2 229.323 2.470 20 30 BEEDLO C#CC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000247749392 359244246 /nfs/dbraw/zinc/24/42/46/359244246.db2.gz YSXDPMBKHSKBLY-UMVBOHGHSA-N 1 2 229.323 2.470 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H]1CCc2ccccc21)C(=O)OC ZINC000619701521 363633237 /nfs/dbraw/zinc/63/32/37/363633237.db2.gz LVYLDWFPERIVIJ-OCCSQVGLSA-N 1 2 245.322 2.034 20 30 BEEDLO C[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1F ZINC000611501383 359383035 /nfs/dbraw/zinc/38/30/35/359383035.db2.gz BGBVKFMLEHLSQU-IJLUTSLNSA-N 1 2 223.295 2.110 20 30 BEEDLO C[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1F ZINC000611501383 359383041 /nfs/dbraw/zinc/38/30/41/359383041.db2.gz BGBVKFMLEHLSQU-IJLUTSLNSA-N 1 2 223.295 2.110 20 30 BEEDLO CC1(C)COCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160972698 359604052 /nfs/dbraw/zinc/60/40/52/359604052.db2.gz BXZDNQDZFVNGIR-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO CC1(C)COCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160972698 359604056 /nfs/dbraw/zinc/60/40/56/359604056.db2.gz BXZDNQDZFVNGIR-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO C=CC[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000628493721 359670029 /nfs/dbraw/zinc/67/00/29/359670029.db2.gz VUXHKVSLKJVTOG-OLZOCXBDSA-N 1 2 247.342 2.259 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161992 359712638 /nfs/dbraw/zinc/71/26/38/359712638.db2.gz ISVSJNJBBLFBFR-CQSZACIVSA-N 1 2 246.358 2.163 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612161992 359712644 /nfs/dbraw/zinc/71/26/44/359712644.db2.gz ISVSJNJBBLFBFR-CQSZACIVSA-N 1 2 246.358 2.163 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1cnc(C2CC2)nc1 ZINC000514844019 259497965 /nfs/dbraw/zinc/49/79/65/259497965.db2.gz NAFDQFGGDRLQLT-UHFFFAOYSA-N 1 2 244.342 2.478 20 30 BEEDLO COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)nc1 ZINC000612165939 359720776 /nfs/dbraw/zinc/72/07/76/359720776.db2.gz PBIBOKAKTUPFCU-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)nc1 ZINC000612165939 359720782 /nfs/dbraw/zinc/72/07/82/359720782.db2.gz PBIBOKAKTUPFCU-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1cnc(C2CC2)nc1 ZINC000514844019 259497966 /nfs/dbraw/zinc/49/79/66/259497966.db2.gz NAFDQFGGDRLQLT-UHFFFAOYSA-N 1 2 244.342 2.478 20 30 BEEDLO C=C(CC)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000450918149 202307474 /nfs/dbraw/zinc/30/74/74/202307474.db2.gz ZPUXXJAOIWUREU-UHFFFAOYSA-N 1 2 216.288 2.066 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(CC2CC2)nn1 ZINC000450881676 202294894 /nfs/dbraw/zinc/29/48/94/202294894.db2.gz MVJNFXJMZLLVLC-CQSZACIVSA-N 1 2 246.358 2.229 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(CC2CC2)nn1 ZINC000450881676 202294896 /nfs/dbraw/zinc/29/48/96/202294896.db2.gz MVJNFXJMZLLVLC-CQSZACIVSA-N 1 2 246.358 2.229 20 30 BEEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cncs2)C1 ZINC000612406554 359833378 /nfs/dbraw/zinc/83/33/78/359833378.db2.gz PRCFUIFSQWLUCN-NSHDSACASA-N 1 2 221.329 2.269 20 30 BEEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cncs2)C1 ZINC000612406554 359833382 /nfs/dbraw/zinc/83/33/82/359833382.db2.gz PRCFUIFSQWLUCN-NSHDSACASA-N 1 2 221.329 2.269 20 30 BEEDLO Cn1cccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406094 359833819 /nfs/dbraw/zinc/83/38/19/359833819.db2.gz ICGTXNCHNUCPHL-ZDUSSCGKSA-N 1 2 217.316 2.151 20 30 BEEDLO Cn1cccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406094 359833823 /nfs/dbraw/zinc/83/38/23/359833823.db2.gz ICGTXNCHNUCPHL-ZDUSSCGKSA-N 1 2 217.316 2.151 20 30 BEEDLO N#Cc1ccc(C[N@H+](C2CC2)C2COC2)cc1F ZINC000451123723 202361317 /nfs/dbraw/zinc/36/13/17/202361317.db2.gz DZURAUUAFCVQJP-UHFFFAOYSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1ccc(C[N@@H+](C2CC2)C2COC2)cc1F ZINC000451123723 202361320 /nfs/dbraw/zinc/36/13/20/202361320.db2.gz DZURAUUAFCVQJP-UHFFFAOYSA-N 1 2 246.285 2.061 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1cn2cccc(F)c2n1 ZINC000612585388 359898441 /nfs/dbraw/zinc/89/84/41/359898441.db2.gz ANAIXGXKHBTCQD-UHFFFAOYSA-N 1 2 246.289 2.113 20 30 BEEDLO N#CC[N@H+](CC[C@@H]1CCCO1)C1CCCC1 ZINC000087248394 359904192 /nfs/dbraw/zinc/90/41/92/359904192.db2.gz NZSUXNRERIEQSO-ZDUSSCGKSA-N 1 2 222.332 2.324 20 30 BEEDLO N#CC[N@@H+](CC[C@@H]1CCCO1)C1CCCC1 ZINC000087248394 359904196 /nfs/dbraw/zinc/90/41/96/359904196.db2.gz NZSUXNRERIEQSO-ZDUSSCGKSA-N 1 2 222.332 2.324 20 30 BEEDLO C=CCCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000578753749 366639287 /nfs/dbraw/zinc/63/92/87/366639287.db2.gz DVDYDWSPTGISMN-LBPRGKRZSA-N 1 2 235.331 2.259 20 30 BEEDLO Cc1ccccc1CC1C[NH+](CCC#N)C1 ZINC000612677861 359985480 /nfs/dbraw/zinc/98/54/80/359985480.db2.gz GNSCWDLBDZEAQU-UHFFFAOYSA-N 1 2 214.312 2.383 20 30 BEEDLO CC[N@@H+](Cc1nc(C)ccc1O)C[C@@H](C)C#N ZINC000091982690 360141536 /nfs/dbraw/zinc/14/15/36/360141536.db2.gz IEAJESCUKOXNRR-JTQLQIEISA-N 1 2 233.315 2.077 20 30 BEEDLO CC[N@H+](Cc1nc(C)ccc1O)C[C@@H](C)C#N ZINC000091982690 360141541 /nfs/dbraw/zinc/14/15/41/360141541.db2.gz IEAJESCUKOXNRR-JTQLQIEISA-N 1 2 233.315 2.077 20 30 BEEDLO CC[N@@H+](Cc1nc(C)ccc1O)C[C@H](C)C#N ZINC000091982692 360141810 /nfs/dbraw/zinc/14/18/10/360141810.db2.gz IEAJESCUKOXNRR-SNVBAGLBSA-N 1 2 233.315 2.077 20 30 BEEDLO CC[N@H+](Cc1nc(C)ccc1O)C[C@H](C)C#N ZINC000091982692 360141814 /nfs/dbraw/zinc/14/18/14/360141814.db2.gz IEAJESCUKOXNRR-SNVBAGLBSA-N 1 2 233.315 2.077 20 30 BEEDLO CC[N@@H+](Cc1cccn1C)C[C@H](C)C#N ZINC000091984109 360141853 /nfs/dbraw/zinc/14/18/53/360141853.db2.gz DZIIAKXTRSRJQG-LLVKDONJSA-N 1 2 205.305 2.007 20 30 BEEDLO CC[N@H+](Cc1cccn1C)C[C@H](C)C#N ZINC000091984109 360141856 /nfs/dbraw/zinc/14/18/56/360141856.db2.gz DZIIAKXTRSRJQG-LLVKDONJSA-N 1 2 205.305 2.007 20 30 BEEDLO CC[N@@H+](Cc1cccc2c1OCO2)C[C@@H](C)C#N ZINC000091982879 360141885 /nfs/dbraw/zinc/14/18/85/360141885.db2.gz GAJWEIWWVOGGLY-NSHDSACASA-N 1 2 246.310 2.397 20 30 BEEDLO CC[N@H+](Cc1cccc2c1OCO2)C[C@@H](C)C#N ZINC000091982879 360141892 /nfs/dbraw/zinc/14/18/92/360141892.db2.gz GAJWEIWWVOGGLY-NSHDSACASA-N 1 2 246.310 2.397 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cc(F)cc(F)c1 ZINC000067406061 370667536 /nfs/dbraw/zinc/66/75/36/370667536.db2.gz MKGNYBXMCRGQHP-QMMMGPOBSA-N 1 2 210.227 2.357 20 30 BEEDLO COc1cccc(Cl)c1C[NH2+]CCC#N ZINC000162015430 361091476 /nfs/dbraw/zinc/09/14/76/361091476.db2.gz XWJZSCFSJGPZGJ-UHFFFAOYSA-N 1 2 224.691 2.352 20 30 BEEDLO C[N@H+](Cc1ccc(F)cn1)CC(C)(C)C#N ZINC000433294216 201175521 /nfs/dbraw/zinc/17/55/21/201175521.db2.gz KIEUJVQWCQANQK-UHFFFAOYSA-N 1 2 221.279 2.202 20 30 BEEDLO C[N@@H+](Cc1ccc(F)cn1)CC(C)(C)C#N ZINC000433294216 201175524 /nfs/dbraw/zinc/17/55/24/201175524.db2.gz KIEUJVQWCQANQK-UHFFFAOYSA-N 1 2 221.279 2.202 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435128086 201252478 /nfs/dbraw/zinc/25/24/78/201252478.db2.gz BSBPDYOJBQLXFN-SNVBAGLBSA-N 1 2 244.298 2.404 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435128086 201252481 /nfs/dbraw/zinc/25/24/81/201252481.db2.gz BSBPDYOJBQLXFN-SNVBAGLBSA-N 1 2 244.298 2.404 20 30 BEEDLO Cc1ncc([C@H](C)[N@@H+](C)C[C@@H](C)C#N)c(C)n1 ZINC000614530696 363836441 /nfs/dbraw/zinc/83/64/41/363836441.db2.gz VRSWIWBKLRGFLA-ONGXEEELSA-N 1 2 232.331 2.246 20 30 BEEDLO Cc1ncc([C@H](C)[N@H+](C)C[C@@H](C)C#N)c(C)n1 ZINC000614530696 363836444 /nfs/dbraw/zinc/83/64/44/363836444.db2.gz VRSWIWBKLRGFLA-ONGXEEELSA-N 1 2 232.331 2.246 20 30 BEEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cscn1 ZINC000615092190 364474483 /nfs/dbraw/zinc/47/44/83/364474483.db2.gz JINJEKRCYLCIGL-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO N#CCC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000573931408 364949405 /nfs/dbraw/zinc/94/94/05/364949405.db2.gz UMQDFOUCSUXCGV-UHFFFAOYSA-N 1 2 213.284 2.084 20 30 BEEDLO N#CCC[N@H+]1CCC=C(c2ccccn2)C1 ZINC000573931408 364949413 /nfs/dbraw/zinc/94/94/13/364949413.db2.gz UMQDFOUCSUXCGV-UHFFFAOYSA-N 1 2 213.284 2.084 20 30 BEEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)o1 ZINC000574410220 365056090 /nfs/dbraw/zinc/05/60/90/365056090.db2.gz CHGRDTGSMRYUDM-SSDOTTSWSA-N 1 2 248.311 2.162 20 30 BEEDLO Cc1ccc([C@H](C[NH2+]CCC#N)N2CCCC2)o1 ZINC000574445162 365062498 /nfs/dbraw/zinc/06/24/98/365062498.db2.gz RYIZYBACJJDXJG-ZDUSSCGKSA-N 1 2 247.342 2.228 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192075480 365273053 /nfs/dbraw/zinc/27/30/53/365273053.db2.gz TZAPCWQYESXIKX-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192075480 365273066 /nfs/dbraw/zinc/27/30/66/365273066.db2.gz TZAPCWQYESXIKX-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H](CCC#N)[NH+]1CC(C(F)(F)F)C1 ZINC000576124571 365496056 /nfs/dbraw/zinc/49/60/56/365496056.db2.gz ZQWMNUWADGNERP-SSDOTTSWSA-N 1 2 206.211 2.173 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000068608591 370819331 /nfs/dbraw/zinc/81/93/31/370819331.db2.gz CBKVHEDNRDBVIV-GFCCVEGCSA-N 1 2 240.310 2.264 20 30 BEEDLO COc1c(C)c[nH+]c(CN[C@@H](C)CC#N)c1C ZINC000068614727 370820664 /nfs/dbraw/zinc/82/06/64/370820664.db2.gz IXRZDDUSENPIFX-JTQLQIEISA-N 1 2 233.315 2.099 20 30 BEEDLO COc1c(C)cnc(C[NH2+][C@@H](C)CC#N)c1C ZINC000068614727 370820667 /nfs/dbraw/zinc/82/06/67/370820667.db2.gz IXRZDDUSENPIFX-JTQLQIEISA-N 1 2 233.315 2.099 20 30 BEEDLO CC(C)(CCC#N)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000615849400 368530811 /nfs/dbraw/zinc/53/08/11/368530811.db2.gz KZPXGWHVRCEILG-SNVBAGLBSA-N 1 2 246.301 2.018 20 30 BEEDLO CC(C)(CCC#N)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000615849400 368530813 /nfs/dbraw/zinc/53/08/13/368530813.db2.gz KZPXGWHVRCEILG-SNVBAGLBSA-N 1 2 246.301 2.018 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000060474116 368544457 /nfs/dbraw/zinc/54/44/57/368544457.db2.gz SMBVGYLXWPEIGZ-NSHDSACASA-N 1 2 246.310 2.049 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000060474116 368544459 /nfs/dbraw/zinc/54/44/59/368544459.db2.gz SMBVGYLXWPEIGZ-NSHDSACASA-N 1 2 246.310 2.049 20 30 BEEDLO Cc1cccc2[nH+]c(CN(C)C[C@@H](C)C#N)cn21 ZINC000064798476 368614620 /nfs/dbraw/zinc/61/46/20/368614620.db2.gz NVELDLSDPLMDGW-NSHDSACASA-N 1 2 242.326 2.234 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)CCOc1cccc(F)c1 ZINC000066471092 368649726 /nfs/dbraw/zinc/64/97/26/368649726.db2.gz PUQFOFQFYRJUHX-LLVKDONJSA-N 1 2 236.290 2.296 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)CCOc1cccc(F)c1 ZINC000066471092 368649728 /nfs/dbraw/zinc/64/97/28/368649728.db2.gz PUQFOFQFYRJUHX-LLVKDONJSA-N 1 2 236.290 2.296 20 30 BEEDLO C=CCCC(=O)NCCCCNc1cccc[nH+]1 ZINC000068420370 368725997 /nfs/dbraw/zinc/72/59/97/368725997.db2.gz ITABMWRAZLBNCU-UHFFFAOYSA-N 1 2 247.342 2.356 20 30 BEEDLO C=CCCC(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457287285 203032765 /nfs/dbraw/zinc/03/27/65/203032765.db2.gz IQKUJEVRZHKGOI-UHFFFAOYSA-N 1 2 239.344 2.109 20 30 BEEDLO C[C@@H]([NH2+]Cc1ncccn1)c1ccc(C#N)cc1 ZINC000054459293 369071824 /nfs/dbraw/zinc/07/18/24/369071824.db2.gz MWSMKBZDKYZMSW-LLVKDONJSA-N 1 2 238.294 2.199 20 30 BEEDLO C[N@H+](Cc1nccs1)CC1(CC#N)CC1 ZINC000387670865 369051425 /nfs/dbraw/zinc/05/14/25/369051425.db2.gz ZRHOFDHBEPWCEY-UHFFFAOYSA-N 1 2 221.329 2.269 20 30 BEEDLO C[N@@H+](Cc1nccs1)CC1(CC#N)CC1 ZINC000387670865 369051426 /nfs/dbraw/zinc/05/14/26/369051426.db2.gz ZRHOFDHBEPWCEY-UHFFFAOYSA-N 1 2 221.329 2.269 20 30 BEEDLO N#Cc1ccc(CNc2cc3cc[nH]c3c[nH+]2)cc1 ZINC000618898182 369234886 /nfs/dbraw/zinc/23/48/86/369234886.db2.gz PKDLKBJCAJOLHX-UHFFFAOYSA-N 1 2 248.289 2.469 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(COC)on1 ZINC000459511391 203294110 /nfs/dbraw/zinc/29/41/10/203294110.db2.gz IUHNXHZAPNDELF-LBPRGKRZSA-N 1 2 236.315 2.362 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(COC)on1 ZINC000459511391 203294114 /nfs/dbraw/zinc/29/41/14/203294114.db2.gz IUHNXHZAPNDELF-LBPRGKRZSA-N 1 2 236.315 2.362 20 30 BEEDLO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)sn1 ZINC000405127038 369446273 /nfs/dbraw/zinc/44/62/73/369446273.db2.gz BFGSZXNVIBBITC-UHFFFAOYSA-N 1 2 223.345 2.433 20 30 BEEDLO Cc1cc(C[N@H+](C)CC(C)(C)C#N)sn1 ZINC000405127038 369446276 /nfs/dbraw/zinc/44/62/76/369446276.db2.gz BFGSZXNVIBBITC-UHFFFAOYSA-N 1 2 223.345 2.433 20 30 BEEDLO C[N@H+](Cc1ccns1)[C@H]1CCC[C@H]1C#N ZINC000404439651 369429072 /nfs/dbraw/zinc/42/90/72/369429072.db2.gz VOLFSFNLPMOLFC-ONGXEEELSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1ccns1)[C@H]1CCC[C@H]1C#N ZINC000404439651 369429077 /nfs/dbraw/zinc/42/90/77/369429077.db2.gz VOLFSFNLPMOLFC-ONGXEEELSA-N 1 2 221.329 2.267 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccccn2)CCCC1 ZINC000405175329 369447841 /nfs/dbraw/zinc/44/78/41/369447841.db2.gz DUXQEXSNRWQYLU-UHFFFAOYSA-N 1 2 215.300 2.255 20 30 BEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)oc1C ZINC000259906616 370953109 /nfs/dbraw/zinc/95/31/09/370953109.db2.gz GEFMMLCGYKLICT-LBPRGKRZSA-N 1 2 233.315 2.417 20 30 BEEDLO Cc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)oc1C ZINC000259906616 370953111 /nfs/dbraw/zinc/95/31/11/370953111.db2.gz GEFMMLCGYKLICT-LBPRGKRZSA-N 1 2 233.315 2.417 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000260036590 370966984 /nfs/dbraw/zinc/96/69/84/370966984.db2.gz OUHNVVSXSHLXRD-QWRGUYRKSA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000260036590 370966990 /nfs/dbraw/zinc/96/69/90/370966990.db2.gz OUHNVVSXSHLXRD-QWRGUYRKSA-N 1 2 203.289 2.234 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)OC ZINC000619704281 369536640 /nfs/dbraw/zinc/53/66/40/369536640.db2.gz APYFBSPAPYALMF-CYDGBPFRSA-N 1 2 239.359 2.376 20 30 BEEDLO N#Cc1cc(-c2c[nH+]c3n2CCCC3)ccc1O ZINC000600845033 369568122 /nfs/dbraw/zinc/56/81/22/369568122.db2.gz GFOAZYFPGNQHGZ-UHFFFAOYSA-N 1 2 239.278 2.464 20 30 BEEDLO C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1cscn1 ZINC000602708385 369844361 /nfs/dbraw/zinc/84/43/61/369844361.db2.gz DZBIOXCKUXOGST-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO CC1(F)CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000602742559 369849398 /nfs/dbraw/zinc/84/93/98/369849398.db2.gz QJLZBXKNCASNMC-UHFFFAOYSA-N 1 2 239.319 2.339 20 30 BEEDLO C[N@H+](Cc1ccns1)Cc1ccc(C#N)cn1 ZINC000602881313 369860275 /nfs/dbraw/zinc/86/02/75/369860275.db2.gz GLEIZQCVBRMLOJ-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C[N@@H+](Cc1ccns1)Cc1ccc(C#N)cn1 ZINC000602881313 369860281 /nfs/dbraw/zinc/86/02/81/369860281.db2.gz GLEIZQCVBRMLOJ-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO N#Cc1cccc(C[NH+]2CC(CC(F)F)C2)n1 ZINC000602692446 369843017 /nfs/dbraw/zinc/84/30/17/369843017.db2.gz NZAQALDYIZRASQ-UHFFFAOYSA-N 1 2 237.253 2.040 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C#N)ccc1F ZINC000568180740 326316713 /nfs/dbraw/zinc/31/67/13/326316713.db2.gz AXADXTDRLVPJHW-LBPRGKRZSA-N 1 2 231.274 2.479 20 30 BEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620611800 369958211 /nfs/dbraw/zinc/95/82/11/369958211.db2.gz NQCBEPLJHXPVLD-SNVBAGLBSA-N 1 2 235.331 2.200 20 30 BEEDLO Cc1nsc(N[C@H](C)c2[nH]cc[nH+]2)c1C#N ZINC000309900308 370273531 /nfs/dbraw/zinc/27/35/31/370273531.db2.gz HICCWWKQVPLBEW-SSDOTTSWSA-N 1 2 233.300 2.219 20 30 BEEDLO COCC#CC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621401861 370340099 /nfs/dbraw/zinc/34/00/99/370340099.db2.gz LYZHBVSLNTVCLK-GFCCVEGCSA-N 1 2 245.313 2.440 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1oc(C)nc1C ZINC000311853470 370441571 /nfs/dbraw/zinc/44/15/71/370441571.db2.gz PZXKFVIAMRLNTK-JTQLQIEISA-N 1 2 207.277 2.073 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1ccc(F)cc1 ZINC000070142965 371009850 /nfs/dbraw/zinc/00/98/50/371009850.db2.gz DQEZUSOOJCUSLR-UHFFFAOYSA-N 1 2 236.290 2.188 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1ccc(F)cc1 ZINC000070142965 371009852 /nfs/dbraw/zinc/00/98/52/371009852.db2.gz DQEZUSOOJCUSLR-UHFFFAOYSA-N 1 2 236.290 2.188 20 30 BEEDLO CCOCC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000093315000 371153974 /nfs/dbraw/zinc/15/39/74/371153974.db2.gz MHGQDDDKKADOOM-UHFFFAOYSA-N 1 2 236.290 2.166 20 30 BEEDLO CCOCC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000093315000 371153980 /nfs/dbraw/zinc/15/39/80/371153980.db2.gz MHGQDDDKKADOOM-UHFFFAOYSA-N 1 2 236.290 2.166 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccn[nH]1)c1cccc(C#N)c1 ZINC000041015583 374044146 /nfs/dbraw/zinc/04/41/46/374044146.db2.gz WONUYEVEHMMYMT-SNVBAGLBSA-N 1 2 226.283 2.132 20 30 BEEDLO CCC[N@@H+](CC#N)CCCOCC(F)(F)F ZINC000045092733 169092245 /nfs/dbraw/zinc/09/22/45/169092245.db2.gz KMGUZXLRIKKUCN-UHFFFAOYSA-N 1 2 238.253 2.191 20 30 BEEDLO CCC[N@H+](CC#N)CCCOCC(F)(F)F ZINC000045092733 169092246 /nfs/dbraw/zinc/09/22/46/169092246.db2.gz KMGUZXLRIKKUCN-UHFFFAOYSA-N 1 2 238.253 2.191 20 30 BEEDLO CC(C)(C)C1C[NH+](Cc2nc(C#N)cs2)C1 ZINC000334788197 383953135 /nfs/dbraw/zinc/95/31/35/383953135.db2.gz QGGVAPVHOXTEOQ-UHFFFAOYSA-N 1 2 235.356 2.493 20 30 BEEDLO CCOC(=O)C[C@@H](C)C/[NH+]=C/c1ccccc1O ZINC000089574602 383976417 /nfs/dbraw/zinc/97/64/17/383976417.db2.gz FMICLRXHJHDGIW-HGLKBHAMSA-N 1 2 249.310 2.400 20 30 BEEDLO CCn1cc[nH+]c1CN(CCC#N)CC1CC1 ZINC000081044038 384015185 /nfs/dbraw/zinc/01/51/85/384015185.db2.gz BVSDNBHJAUBNRA-UHFFFAOYSA-N 1 2 232.331 2.029 20 30 BEEDLO C#CCCCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119582079 533032449 /nfs/dbraw/zinc/03/24/49/533032449.db2.gz XWAVYVDRNPVIBA-UHFFFAOYSA-N 1 2 231.299 2.315 20 30 BEEDLO C#CCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000367007040 533047803 /nfs/dbraw/zinc/04/78/03/533047803.db2.gz LNPUSKPBFOSOAD-LBPRGKRZSA-N 1 2 245.326 2.497 20 30 BEEDLO C#CCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000367007040 533047804 /nfs/dbraw/zinc/04/78/04/533047804.db2.gz LNPUSKPBFOSOAD-LBPRGKRZSA-N 1 2 245.326 2.497 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000093091152 384209233 /nfs/dbraw/zinc/20/92/33/384209233.db2.gz PCZILCMTLZBASV-LLVKDONJSA-N 1 2 234.347 2.372 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000093091152 384209238 /nfs/dbraw/zinc/20/92/38/384209238.db2.gz PCZILCMTLZBASV-LLVKDONJSA-N 1 2 234.347 2.372 20 30 BEEDLO CC(=O)Nc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000093090686 384209980 /nfs/dbraw/zinc/20/99/80/384209980.db2.gz VWIBBUJLYIMLPH-NSHDSACASA-N 1 2 245.326 2.379 20 30 BEEDLO CC(=O)Nc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000093090686 384209988 /nfs/dbraw/zinc/20/99/88/384209988.db2.gz VWIBBUJLYIMLPH-NSHDSACASA-N 1 2 245.326 2.379 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(C(=O)OC)cc1 ZINC000042450869 384222439 /nfs/dbraw/zinc/22/24/39/384222439.db2.gz APMUIRFDEKRECH-UHFFFAOYSA-N 1 2 246.310 2.209 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(C(=O)OC)cc1 ZINC000042450869 384222442 /nfs/dbraw/zinc/22/24/42/384222442.db2.gz APMUIRFDEKRECH-UHFFFAOYSA-N 1 2 246.310 2.209 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000072589734 384227005 /nfs/dbraw/zinc/22/70/05/384227005.db2.gz SMBVGYLXWPEIGZ-LLVKDONJSA-N 1 2 246.310 2.049 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000072589734 384227008 /nfs/dbraw/zinc/22/70/08/384227008.db2.gz SMBVGYLXWPEIGZ-LLVKDONJSA-N 1 2 246.310 2.049 20 30 BEEDLO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccon1 ZINC000336779734 384276999 /nfs/dbraw/zinc/27/69/99/384276999.db2.gz PKUFDYITUIJYQF-MRVPVSSYSA-N 1 2 233.296 2.459 20 30 BEEDLO CN(Cc1[nH]cc[nH+]1)c1ccc(C#N)cc1F ZINC000336599141 384245011 /nfs/dbraw/zinc/24/50/11/384245011.db2.gz FGVAFUUSGBXRFH-UHFFFAOYSA-N 1 2 230.246 2.057 20 30 BEEDLO CC(C)C[N@H+](CCC#N)Cc1ccccn1 ZINC000043419646 384276792 /nfs/dbraw/zinc/27/67/92/384276792.db2.gz SJBCXKPCQFKOMT-UHFFFAOYSA-N 1 2 217.316 2.453 20 30 BEEDLO CC(C)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000043419646 384276797 /nfs/dbraw/zinc/27/67/97/384276797.db2.gz SJBCXKPCQFKOMT-UHFFFAOYSA-N 1 2 217.316 2.453 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)s1 ZINC000335444002 384290397 /nfs/dbraw/zinc/29/03/97/384290397.db2.gz OSYIMMMKXGPMOT-MFKMUULPSA-N 1 2 248.351 2.231 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)s1 ZINC000335444002 384290405 /nfs/dbraw/zinc/29/04/05/384290405.db2.gz OSYIMMMKXGPMOT-MFKMUULPSA-N 1 2 248.351 2.231 20 30 BEEDLO Cc1cc(N2C[C@@H]3CCC[C@@H]3C2)c(C#N)c[nH+]1 ZINC000335514709 384294502 /nfs/dbraw/zinc/29/45/02/384294502.db2.gz XPRXENYLMFJOOF-TXEJJXNPSA-N 1 2 227.311 2.498 20 30 BEEDLO Cc1cc(N2CC[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000335508735 384294893 /nfs/dbraw/zinc/29/48/93/384294893.db2.gz ASZCOGXLGPECPR-SECBINFHSA-N 1 2 201.273 2.108 20 30 BEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(C)cc1F ZINC000490761966 384382250 /nfs/dbraw/zinc/38/22/50/384382250.db2.gz YKEOLFAJBFCLIH-UHFFFAOYSA-N 1 2 248.301 2.028 20 30 BEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(C)cc1F ZINC000490761966 384382255 /nfs/dbraw/zinc/38/22/55/384382255.db2.gz YKEOLFAJBFCLIH-UHFFFAOYSA-N 1 2 248.301 2.028 20 30 BEEDLO Cc1cc(NC(=O)C2(C#N)CCCC2)cc[nH+]1 ZINC000078468078 384448442 /nfs/dbraw/zinc/44/84/42/384448442.db2.gz OTPFOOGURCINPM-UHFFFAOYSA-N 1 2 229.283 2.413 20 30 BEEDLO C=CC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000374507162 384584059 /nfs/dbraw/zinc/58/40/59/384584059.db2.gz RMRKJLNFWSWFJK-UHFFFAOYSA-N 1 2 207.248 2.206 20 30 BEEDLO C=CC[N@H+]1CCOc2cccc(F)c2C1 ZINC000374507162 384584068 /nfs/dbraw/zinc/58/40/68/384584068.db2.gz RMRKJLNFWSWFJK-UHFFFAOYSA-N 1 2 207.248 2.206 20 30 BEEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(OC)c1 ZINC000098142505 384597203 /nfs/dbraw/zinc/59/72/03/384597203.db2.gz MZOVYCODAWOIDQ-NSHDSACASA-N 1 2 248.326 2.438 20 30 BEEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(OC)c1 ZINC000098142505 384597207 /nfs/dbraw/zinc/59/72/07/384597207.db2.gz MZOVYCODAWOIDQ-NSHDSACASA-N 1 2 248.326 2.438 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000491405897 384728240 /nfs/dbraw/zinc/72/82/40/384728240.db2.gz LMNQRVJZAHIRIO-SNVBAGLBSA-N 1 2 213.284 2.016 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000491405897 384728246 /nfs/dbraw/zinc/72/82/46/384728246.db2.gz LMNQRVJZAHIRIO-SNVBAGLBSA-N 1 2 213.284 2.016 20 30 BEEDLO COc1ccc(C(N)=[NH+]OC2CCCC2)cc1 ZINC000142913910 384710080 /nfs/dbraw/zinc/71/00/80/384710080.db2.gz LLKKPMDCUTTXTQ-UHFFFAOYSA-N 1 2 234.299 2.275 20 30 BEEDLO CC(C)OC(=O)[C@@H](C)C/[NH+]=C/c1ccccc1O ZINC000173989710 384743278 /nfs/dbraw/zinc/74/32/78/384743278.db2.gz UJVKSWXFQGHLRB-ZRRZQRFHSA-N 1 2 249.310 2.399 20 30 BEEDLO C=CCCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000174219052 384765732 /nfs/dbraw/zinc/76/57/32/384765732.db2.gz PAUYLFSMOROMAQ-NSHDSACASA-N 1 2 228.336 2.303 20 30 BEEDLO C=CCCCO[NH+]=C(N)c1cccc(OC)c1 ZINC000174211227 384767374 /nfs/dbraw/zinc/76/73/74/384767374.db2.gz DVGSECKLGXSRRR-UHFFFAOYSA-N 1 2 234.299 2.298 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000126546359 384807520 /nfs/dbraw/zinc/80/75/20/384807520.db2.gz QUGXMUVHHJILMI-ZJUUUORDSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(C#N)s1 ZINC000126546359 384807526 /nfs/dbraw/zinc/80/75/26/384807526.db2.gz QUGXMUVHHJILMI-ZJUUUORDSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@H](C#N)C2)C1 ZINC000092796337 384847265 /nfs/dbraw/zinc/84/72/65/384847265.db2.gz RZPVGPHMKOCXLX-FRRDWIJNSA-N 1 2 222.332 2.037 20 30 BEEDLO C[C@@H]1CCC[C@H](C[N@H+]2CCO[C@H](C#N)C2)C1 ZINC000092796337 384847267 /nfs/dbraw/zinc/84/72/67/384847267.db2.gz RZPVGPHMKOCXLX-FRRDWIJNSA-N 1 2 222.332 2.037 20 30 BEEDLO C#C[C@@H](CCC)[NH2+][C@H](CCCC)C(=O)OC ZINC000233049315 259659682 /nfs/dbraw/zinc/65/96/82/259659682.db2.gz ZSFNLQCHTHCOTK-NWDGAFQWSA-N 1 2 225.332 2.110 20 30 BEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000192238138 384913609 /nfs/dbraw/zinc/91/36/09/384913609.db2.gz XQVBMPXRECIIGQ-LBPRGKRZSA-N 1 2 244.338 2.141 20 30 BEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000192238138 384913617 /nfs/dbraw/zinc/91/36/17/384913617.db2.gz XQVBMPXRECIIGQ-LBPRGKRZSA-N 1 2 244.338 2.141 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000192225200 384914077 /nfs/dbraw/zinc/91/40/77/384914077.db2.gz DAYIVGBMTZWXQJ-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000192225200 384914083 /nfs/dbraw/zinc/91/40/83/384914083.db2.gz DAYIVGBMTZWXQJ-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000297843974 384965510 /nfs/dbraw/zinc/96/55/10/384965510.db2.gz KUBRZHSLKHVSEV-NSHDSACASA-N 1 2 233.315 2.226 20 30 BEEDLO Cc1ccc(NC(=O)c2cc(C#N)c[nH]2)c(C)[nH+]1 ZINC000119350013 385092004 /nfs/dbraw/zinc/09/20/04/385092004.db2.gz MTFQUNTWNGZLSY-UHFFFAOYSA-N 1 2 240.266 2.151 20 30 BEEDLO CN(C)c1ccc(NCc2ccc(C#N)o2)c[nH+]1 ZINC000158120550 385223593 /nfs/dbraw/zinc/22/35/93/385223593.db2.gz PTPZMAFZLKAVFB-UHFFFAOYSA-N 1 2 242.282 2.224 20 30 BEEDLO COC[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccco1 ZINC000177577202 385256867 /nfs/dbraw/zinc/25/68/67/385256867.db2.gz OWWAICXQUBAPDY-LBPRGKRZSA-N 1 2 246.266 2.222 20 30 BEEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)CCC#N ZINC000154254275 385313099 /nfs/dbraw/zinc/31/30/99/385313099.db2.gz PBDYFWPVQHRDAY-UHFFFAOYSA-N 1 2 230.286 2.413 20 30 BEEDLO CC[N@H+](CC#Cc1ccc(F)cc1)CCC#N ZINC000154254275 385313103 /nfs/dbraw/zinc/31/31/03/385313103.db2.gz PBDYFWPVQHRDAY-UHFFFAOYSA-N 1 2 230.286 2.413 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000157992460 385321939 /nfs/dbraw/zinc/32/19/39/385321939.db2.gz DEYKPNKSKMBQPE-QJPTWQEYSA-N 1 2 245.750 2.007 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000157992460 385321945 /nfs/dbraw/zinc/32/19/45/385321945.db2.gz DEYKPNKSKMBQPE-QJPTWQEYSA-N 1 2 245.750 2.007 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000157992308 385322254 /nfs/dbraw/zinc/32/22/54/385322254.db2.gz DEYKPNKSKMBQPE-IJLUTSLNSA-N 1 2 245.750 2.007 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000157992308 385322258 /nfs/dbraw/zinc/32/22/58/385322258.db2.gz DEYKPNKSKMBQPE-IJLUTSLNSA-N 1 2 245.750 2.007 20 30 BEEDLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)CC#N ZINC000154020138 385295606 /nfs/dbraw/zinc/29/56/06/385295606.db2.gz VKPFMNVHOCRSPR-UHFFFAOYSA-N 1 2 233.271 2.111 20 30 BEEDLO Cc1csc([C@@H](C)[NH2+]CC2(C#N)CC2)n1 ZINC000309019534 385372844 /nfs/dbraw/zinc/37/28/44/385372844.db2.gz WFRBQXFCXFRPAB-SECBINFHSA-N 1 2 221.329 2.406 20 30 BEEDLO CC[N@@H+](Cc1ccccn1)C[C@@H](C#N)CCC#N ZINC000131322833 385327649 /nfs/dbraw/zinc/32/76/49/385327649.db2.gz HQJVZSBSGUKWHA-CYBMUJFWSA-N 1 2 242.326 2.347 20 30 BEEDLO CC[N@H+](Cc1ccccn1)C[C@@H](C#N)CCC#N ZINC000131322833 385327654 /nfs/dbraw/zinc/32/76/54/385327654.db2.gz HQJVZSBSGUKWHA-CYBMUJFWSA-N 1 2 242.326 2.347 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000491678180 385464982 /nfs/dbraw/zinc/46/49/82/385464982.db2.gz SLCZDOWVMRFYLP-SNVBAGLBSA-N 1 2 249.285 2.066 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000491678180 385464984 /nfs/dbraw/zinc/46/49/84/385464984.db2.gz SLCZDOWVMRFYLP-SNVBAGLBSA-N 1 2 249.285 2.066 20 30 BEEDLO N#CCC[NH+]1CC(Cc2ccccc2)C1 ZINC000591021921 385551646 /nfs/dbraw/zinc/55/16/46/385551646.db2.gz BHKUNCKBPJEZFW-UHFFFAOYSA-N 1 2 200.285 2.075 20 30 BEEDLO C=C[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119321763 385622496 /nfs/dbraw/zinc/62/24/96/385622496.db2.gz ZEMVFYZGZQIXDH-QMMMGPOBSA-N 1 2 205.261 2.086 20 30 BEEDLO C[C@@H](CCCC#N)[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001172491141 974836670 /nfs/dbraw/zinc/83/66/70/974836670.db2.gz CCVJGAUNMKDNQN-WDEREUQCSA-N 1 2 246.301 2.018 20 30 BEEDLO C=CCCCCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284072506 385848922 /nfs/dbraw/zinc/84/89/22/385848922.db2.gz KBRMWUPTNJDVNK-NSHDSACASA-N 1 2 226.320 2.201 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H](C)[C@H](C)O1 ZINC000438355025 385972259 /nfs/dbraw/zinc/97/22/59/385972259.db2.gz QXHLNPPPMOROCE-VWYCJHECSA-N 1 2 234.299 2.149 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H](C)[C@H](C)O1 ZINC000438355025 385972261 /nfs/dbraw/zinc/97/22/61/385972261.db2.gz QXHLNPPPMOROCE-VWYCJHECSA-N 1 2 234.299 2.149 20 30 BEEDLO CCOCC[N@H+](C)Cc1cc(F)ccc1C#N ZINC000093315785 386090909 /nfs/dbraw/zinc/09/09/09/386090909.db2.gz HYYMTAIKRUGMDN-UHFFFAOYSA-N 1 2 236.290 2.166 20 30 BEEDLO CCOCC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000093315785 386090914 /nfs/dbraw/zinc/09/09/14/386090914.db2.gz HYYMTAIKRUGMDN-UHFFFAOYSA-N 1 2 236.290 2.166 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@H](C)CC#N ZINC000287475800 386125573 /nfs/dbraw/zinc/12/55/73/386125573.db2.gz JVDPXATUXSACJB-SNVBAGLBSA-N 1 2 246.314 2.464 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@@H](C)CC#N ZINC000287475797 386127325 /nfs/dbraw/zinc/12/73/25/386127325.db2.gz JVDPXATUXSACJB-JTQLQIEISA-N 1 2 246.314 2.464 20 30 BEEDLO CC[C@H](C)[C@@H]([NH2+]CCC(C)(C)C#N)C(=O)OC ZINC000347188020 386256112 /nfs/dbraw/zinc/25/61/12/386256112.db2.gz DUEZMHATFBPBGR-WDEREUQCSA-N 1 2 240.347 2.104 20 30 BEEDLO CCC[N@@H+](CC#N)CC[C@H]1CCCCO1 ZINC000347480004 386436073 /nfs/dbraw/zinc/43/60/73/386436073.db2.gz LVCWGODRVSVXTL-GFCCVEGCSA-N 1 2 210.321 2.181 20 30 BEEDLO CCC[N@H+](CC#N)CC[C@H]1CCCCO1 ZINC000347480004 386436077 /nfs/dbraw/zinc/43/60/77/386436077.db2.gz LVCWGODRVSVXTL-GFCCVEGCSA-N 1 2 210.321 2.181 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000519492548 386466329 /nfs/dbraw/zinc/46/63/29/386466329.db2.gz NOLMWIHDALYLQZ-JTQLQIEISA-N 1 2 249.270 2.082 20 30 BEEDLO N#CC1(F)CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000343230487 386514041 /nfs/dbraw/zinc/51/40/41/386514041.db2.gz VESWKRHRGZHNOG-UHFFFAOYSA-N 1 2 244.273 2.395 20 30 BEEDLO Cc1nc(N2CCC(F)(C#N)CC2)c(C)c(C)[nH+]1 ZINC000343233407 386517285 /nfs/dbraw/zinc/51/72/85/386517285.db2.gz IXYDLKORMJADOQ-UHFFFAOYSA-N 1 2 248.305 2.234 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ncc(CC)o1 ZINC000524759298 259689944 /nfs/dbraw/zinc/68/99/44/259689944.db2.gz JBMCFMMFCDFDQB-UHFFFAOYSA-N 1 2 206.289 2.411 20 30 BEEDLO C[C@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000328934581 386648469 /nfs/dbraw/zinc/64/84/69/386648469.db2.gz IYSLMUBBYTTYID-WPRPVWTQSA-N 1 2 233.315 2.270 20 30 BEEDLO C[C@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000328934581 386648473 /nfs/dbraw/zinc/64/84/73/386648473.db2.gz IYSLMUBBYTTYID-WPRPVWTQSA-N 1 2 233.315 2.270 20 30 BEEDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncccc1C#N ZINC000450830938 386743468 /nfs/dbraw/zinc/74/34/68/386743468.db2.gz OSOZNHPIKZKYDB-SNVBAGLBSA-N 1 2 241.298 2.343 20 30 BEEDLO CC(C)(C#N)CCC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330544425 386784196 /nfs/dbraw/zinc/78/41/96/386784196.db2.gz BINZPOAHAARZSX-ZJUUUORDSA-N 1 2 241.310 2.264 20 30 BEEDLO CC(C)(C#N)CCC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000330544425 386784202 /nfs/dbraw/zinc/78/42/02/386784202.db2.gz BINZPOAHAARZSX-ZJUUUORDSA-N 1 2 241.310 2.264 20 30 BEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1nccn1C(F)F ZINC000330666564 386817094 /nfs/dbraw/zinc/81/70/94/386817094.db2.gz SHGHMEKFCMCWRO-IUCAKERBSA-N 1 2 240.257 2.060 20 30 BEEDLO CC[C@H](NC(=O)c1nc(C)oc1C)c1[nH]cc[nH+]1 ZINC000330583868 386800643 /nfs/dbraw/zinc/80/06/43/386800643.db2.gz VIJIJCVBNGTYRR-VIFPVBQESA-N 1 2 248.286 2.470 20 30 BEEDLO C#CCOc1ccccc1C[NH2+][C@@H](CC)CC#N ZINC000054182878 533196514 /nfs/dbraw/zinc/19/65/14/533196514.db2.gz NCGZYSFFZPDJBS-AWEZNQCLSA-N 1 2 242.322 2.480 20 30 BEEDLO CC(C)n1c[nH+]cc1CN(CCC#N)CCC#N ZINC000425349260 386865704 /nfs/dbraw/zinc/86/57/04/386865704.db2.gz KWFAXWVNORKNOS-UHFFFAOYSA-N 1 2 245.330 2.093 20 30 BEEDLO COC1(CCNc2cc(C)[nH+]cc2C#N)CCC1 ZINC000399507065 386911802 /nfs/dbraw/zinc/91/18/02/386911802.db2.gz LOBCNVYIPIOQHR-UHFFFAOYSA-N 1 2 245.326 2.055 20 30 BEEDLO N#CCC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000335861107 386942102 /nfs/dbraw/zinc/94/21/02/386942102.db2.gz UUMIAVANWFVVHO-OAHLLOKOSA-N 1 2 242.322 2.370 20 30 BEEDLO N#CCC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000335861107 386942107 /nfs/dbraw/zinc/94/21/07/386942107.db2.gz UUMIAVANWFVVHO-OAHLLOKOSA-N 1 2 242.322 2.370 20 30 BEEDLO COC1(C)CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000399526133 386956436 /nfs/dbraw/zinc/95/64/36/386956436.db2.gz QGTXNKXGQBJIOB-UHFFFAOYSA-N 1 2 245.326 2.267 20 30 BEEDLO COCCC(C)(C)CNc1cc(C)[nH+]cc1C#N ZINC000399533679 386971100 /nfs/dbraw/zinc/97/11/00/386971100.db2.gz VZXDWTIFCQUWGS-UHFFFAOYSA-N 1 2 247.342 2.158 20 30 BEEDLO Cc1cc(NCCC(F)(F)F)c(C#N)c[nH+]1 ZINC000399610389 387043968 /nfs/dbraw/zinc/04/39/68/387043968.db2.gz WILJGFVCQHZKFW-UHFFFAOYSA-N 1 2 229.205 2.048 20 30 BEEDLO Cc1cc(NC2Cc3ccccc3C2)c(C#N)c[nH+]1 ZINC000399568611 387015933 /nfs/dbraw/zinc/01/59/33/387015933.db2.gz JEIZTUVHCKFXTQ-UHFFFAOYSA-N 1 2 249.317 2.263 20 30 BEEDLO CC[C@H](C)[C@H](CNc1cc(C)[nH+]cc1C#N)OC ZINC000399466127 387124037 /nfs/dbraw/zinc/12/40/37/387124037.db2.gz RSFHFRRZUXTCIY-HZMBPMFUSA-N 1 2 247.342 2.157 20 30 BEEDLO CCOc1cccc(C[NH2+]CC2(C#N)CCC2)n1 ZINC000418141737 387165776 /nfs/dbraw/zinc/16/57/76/387165776.db2.gz LQPKDXALUZTCKK-UHFFFAOYSA-N 1 2 245.326 2.264 20 30 BEEDLO CCc1nc(C[NH2+]CC2(C#N)CCC2)cs1 ZINC000418144693 387168445 /nfs/dbraw/zinc/16/84/45/387168445.db2.gz USAPFOBUQNIZPM-UHFFFAOYSA-N 1 2 235.356 2.489 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000418143593 387168460 /nfs/dbraw/zinc/16/84/60/387168460.db2.gz QRUHCVQBXUOSEH-UHFFFAOYSA-N 1 2 245.282 2.378 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccn(C(F)F)n2)CCC1 ZINC000418137899 387173851 /nfs/dbraw/zinc/17/38/51/387173851.db2.gz FLGCYPSVPJRWKL-UHFFFAOYSA-N 1 2 240.257 2.062 20 30 BEEDLO C[C@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000191870480 387186210 /nfs/dbraw/zinc/18/62/10/387186210.db2.gz LSKTYGWFVSNTET-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO CC[C@@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000399756703 387188850 /nfs/dbraw/zinc/18/88/50/387188850.db2.gz WQHXBLPEJSNEAW-SECBINFHSA-N 1 2 203.289 2.142 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000191934818 387231407 /nfs/dbraw/zinc/23/14/07/387231407.db2.gz PGTOTXAROASYAM-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000191934818 387231413 /nfs/dbraw/zinc/23/14/13/387231413.db2.gz PGTOTXAROASYAM-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO C=C[C@](C)(CC)C(=O)NCCCCn1cc[nH+]c1 ZINC000525948664 387311182 /nfs/dbraw/zinc/31/11/82/387311182.db2.gz LTMYJFLNVUTFGU-CQSZACIVSA-N 1 2 249.358 2.382 20 30 BEEDLO C#CC[N@H+](C/C=C/Cl)C/C=C\Cl ZINC000255616690 387295323 /nfs/dbraw/zinc/29/53/23/387295323.db2.gz COBWVSJVKUAKDX-CIIODKQPSA-N 1 2 204.100 2.427 20 30 BEEDLO C#CC[N@@H+](C/C=C/Cl)C/C=C\Cl ZINC000255616690 387295329 /nfs/dbraw/zinc/29/53/29/387295329.db2.gz COBWVSJVKUAKDX-CIIODKQPSA-N 1 2 204.100 2.427 20 30 BEEDLO N#CCC[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000336507295 387332079 /nfs/dbraw/zinc/33/20/79/387332079.db2.gz UPCPGZSLQSUQMU-UHFFFAOYSA-N 1 2 238.722 2.087 20 30 BEEDLO C#CC[N@@H+](CC)Cc1csc(C2CC2)n1 ZINC000270299370 387426675 /nfs/dbraw/zinc/42/66/75/387426675.db2.gz BDKLNAQUVVBNKN-UHFFFAOYSA-N 1 2 220.341 2.476 20 30 BEEDLO C#CC[N@H+](CC)Cc1csc(C2CC2)n1 ZINC000270299370 387426682 /nfs/dbraw/zinc/42/66/82/387426682.db2.gz BDKLNAQUVVBNKN-UHFFFAOYSA-N 1 2 220.341 2.476 20 30 BEEDLO C#CCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000270609326 387433046 /nfs/dbraw/zinc/43/30/46/387433046.db2.gz NATTULLPTFMUML-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO C#CCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000270609326 387433050 /nfs/dbraw/zinc/43/30/50/387433050.db2.gz NATTULLPTFMUML-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000265970349 387398713 /nfs/dbraw/zinc/39/87/13/387398713.db2.gz BAJLRRMEBGQOCH-CQSZACIVSA-N 1 2 215.296 2.083 20 30 BEEDLO CC#CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000265970349 387398720 /nfs/dbraw/zinc/39/87/20/387398720.db2.gz BAJLRRMEBGQOCH-CQSZACIVSA-N 1 2 215.296 2.083 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000276036659 387516850 /nfs/dbraw/zinc/51/68/50/387516850.db2.gz VHIWULHGDUTTTC-OCCSQVGLSA-N 1 2 249.358 2.238 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000160758181 387517405 /nfs/dbraw/zinc/51/74/05/387517405.db2.gz GMLOPOKJZCHRRK-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000160758181 387517408 /nfs/dbraw/zinc/51/74/08/387517408.db2.gz GMLOPOKJZCHRRK-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@](C)(C#N)C(=O)NCc1c[nH+]c(C)cc1C ZINC000396976510 387525152 /nfs/dbraw/zinc/52/51/52/387525152.db2.gz KRHMFDIKIODEAI-AWEZNQCLSA-N 1 2 245.326 2.255 20 30 BEEDLO C#CC[N@@H+](Cc1cnc(Cl)s1)C1CC1 ZINC000274251004 387466144 /nfs/dbraw/zinc/46/61/44/387466144.db2.gz ZPIFUFKYTIBELR-UHFFFAOYSA-N 1 2 226.732 2.394 20 30 BEEDLO C#CC[N@H+](Cc1cnc(Cl)s1)C1CC1 ZINC000274251004 387466149 /nfs/dbraw/zinc/46/61/49/387466149.db2.gz ZPIFUFKYTIBELR-UHFFFAOYSA-N 1 2 226.732 2.394 20 30 BEEDLO C#C[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000274647485 387488921 /nfs/dbraw/zinc/48/89/21/387488921.db2.gz CEUHAPWGCZZSRX-SECBINFHSA-N 1 2 215.300 2.097 20 30 BEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000278690397 387546962 /nfs/dbraw/zinc/54/69/62/387546962.db2.gz HLMYNHUNJBDRKQ-CHWSQXEVSA-N 1 2 246.310 2.310 20 30 BEEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C#N)o2)s1 ZINC000353180108 387740773 /nfs/dbraw/zinc/74/07/73/387740773.db2.gz LDRRLOUMKPQXNU-ZETCQYMHSA-N 1 2 248.311 2.162 20 30 BEEDLO COc1ccc[nH+]c1N1CCC(C)(C#N)CC1 ZINC000527956836 387784496 /nfs/dbraw/zinc/78/44/96/387784496.db2.gz XWNFLIRUPIUYHF-UHFFFAOYSA-N 1 2 231.299 2.220 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]cccc1OC ZINC000527992238 387805649 /nfs/dbraw/zinc/80/56/49/387805649.db2.gz CNZBMKOHBHPAOU-YPMHNXCESA-N 1 2 248.326 2.483 20 30 BEEDLO C[N@H+](Cc1ccc[nH]1)Cc1ccc(C#N)o1 ZINC000354033003 387845875 /nfs/dbraw/zinc/84/58/75/387845875.db2.gz GXVQWOSWYZQVKF-UHFFFAOYSA-N 1 2 215.256 2.111 20 30 BEEDLO C[N@@H+](Cc1ccc[nH]1)Cc1ccc(C#N)o1 ZINC000354033003 387845881 /nfs/dbraw/zinc/84/58/81/387845881.db2.gz GXVQWOSWYZQVKF-UHFFFAOYSA-N 1 2 215.256 2.111 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1CNc1[nH+]cccc1OC ZINC000528037357 387819645 /nfs/dbraw/zinc/81/96/45/387819645.db2.gz AXPUUBCJXPRCJA-QWRGUYRKSA-N 1 2 234.299 2.093 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444726020 387917963 /nfs/dbraw/zinc/91/79/63/387917963.db2.gz IBYFECROQAAAPQ-OLZOCXBDSA-N 1 2 236.359 2.328 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444726020 387917970 /nfs/dbraw/zinc/91/79/70/387917970.db2.gz IBYFECROQAAAPQ-OLZOCXBDSA-N 1 2 236.359 2.328 20 30 BEEDLO C[C@H](O)CCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444725524 387918055 /nfs/dbraw/zinc/91/80/55/387918055.db2.gz NJTCHVAIQPZKTE-RYUDHWBXSA-N 1 2 224.348 2.162 20 30 BEEDLO C[C@H](O)CCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444725524 387918057 /nfs/dbraw/zinc/91/80/57/387918057.db2.gz NJTCHVAIQPZKTE-RYUDHWBXSA-N 1 2 224.348 2.162 20 30 BEEDLO C#CC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195037656 388084473 /nfs/dbraw/zinc/08/44/73/388084473.db2.gz BDXWRNXZDOCZDN-LBPRGKRZSA-N 1 2 228.320 2.455 20 30 BEEDLO CC(C)(C)[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000447833963 388097022 /nfs/dbraw/zinc/09/70/22/388097022.db2.gz VFMKWEVVIPSCFR-CHWSQXEVSA-N 1 2 249.358 2.177 20 30 BEEDLO CC(C)(C)[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCO1 ZINC000447833963 388097023 /nfs/dbraw/zinc/09/70/23/388097023.db2.gz VFMKWEVVIPSCFR-CHWSQXEVSA-N 1 2 249.358 2.177 20 30 BEEDLO C=CC[N@@H+](Cc1ccncc1F)C1CC1 ZINC000449234059 388160183 /nfs/dbraw/zinc/16/01/83/388160183.db2.gz AISZVMAWNZNDRD-UHFFFAOYSA-N 1 2 206.264 2.371 20 30 BEEDLO C=CC[N@H+](Cc1ccncc1F)C1CC1 ZINC000449234059 388160186 /nfs/dbraw/zinc/16/01/86/388160186.db2.gz AISZVMAWNZNDRD-UHFFFAOYSA-N 1 2 206.264 2.371 20 30 BEEDLO C=C[C@@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454678670 388129160 /nfs/dbraw/zinc/12/91/60/388129160.db2.gz QTBGVIXUGOUZJZ-SNVBAGLBSA-N 1 2 233.315 2.072 20 30 BEEDLO COc1cccc(C[NH2+]C[C@H](C)C#N)c1F ZINC000192972480 388134714 /nfs/dbraw/zinc/13/47/14/388134714.db2.gz HWPNNXVRUMDNMS-SECBINFHSA-N 1 2 222.263 2.084 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccnc(Cl)c1 ZINC000490838904 388256431 /nfs/dbraw/zinc/25/64/31/388256431.db2.gz FHHQVHNBFYFMCO-UHFFFAOYSA-N 1 2 232.714 2.194 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccnc(Cl)c1 ZINC000490838904 388256432 /nfs/dbraw/zinc/25/64/32/388256432.db2.gz FHHQVHNBFYFMCO-UHFFFAOYSA-N 1 2 232.714 2.194 20 30 BEEDLO C=CCCC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456386801 388198712 /nfs/dbraw/zinc/19/87/12/388198712.db2.gz NIEUQOJXHMGCGH-JTQLQIEISA-N 1 2 221.304 2.046 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1cccn1C ZINC000489488111 388218677 /nfs/dbraw/zinc/21/86/77/388218677.db2.gz SYGONJWNCRSSID-LBPRGKRZSA-N 1 2 232.327 2.248 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1cccn1C ZINC000489488111 388218679 /nfs/dbraw/zinc/21/86/79/388218679.db2.gz SYGONJWNCRSSID-LBPRGKRZSA-N 1 2 232.327 2.248 20 30 BEEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1c[nH]c2ccccc21 ZINC000491288255 388282575 /nfs/dbraw/zinc/28/25/75/388282575.db2.gz QKHCNIHOAINRFK-NSHDSACASA-N 1 2 240.306 2.304 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1c[nH]c2ccccc21 ZINC000491288255 388282576 /nfs/dbraw/zinc/28/25/76/388282576.db2.gz QKHCNIHOAINRFK-NSHDSACASA-N 1 2 240.306 2.304 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C#N)c(F)c1 ZINC000491315323 388284487 /nfs/dbraw/zinc/28/44/87/388284487.db2.gz MQXGJTBAQOZCOE-UHFFFAOYSA-N 1 2 240.281 2.156 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(C#N)c(F)c1 ZINC000491315323 388284489 /nfs/dbraw/zinc/28/44/89/388284489.db2.gz MQXGJTBAQOZCOE-UHFFFAOYSA-N 1 2 240.281 2.156 20 30 BEEDLO C#C[C@H]([NH2+]Cc1c[nH]nc1C)c1ccc(F)cc1 ZINC000491396344 388291832 /nfs/dbraw/zinc/29/18/32/388291832.db2.gz XUWZHCNSBIWRCS-AWEZNQCLSA-N 1 2 243.285 2.321 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc2ccccc2n1C ZINC000491441813 388295336 /nfs/dbraw/zinc/29/53/36/388295336.db2.gz YCCQHQSSMIUXTB-NSHDSACASA-N 1 2 227.311 2.027 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000491441813 388295338 /nfs/dbraw/zinc/29/53/38/388295338.db2.gz YCCQHQSSMIUXTB-NSHDSACASA-N 1 2 227.311 2.027 20 30 BEEDLO C#CC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000491462755 388296009 /nfs/dbraw/zinc/29/60/09/388296009.db2.gz KEUIEEFCDGKLMU-JTQLQIEISA-N 1 2 235.249 2.051 20 30 BEEDLO C#CC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000491462755 388296010 /nfs/dbraw/zinc/29/60/10/388296010.db2.gz KEUIEEFCDGKLMU-JTQLQIEISA-N 1 2 235.249 2.051 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cccc(F)c1F ZINC000491676768 388310256 /nfs/dbraw/zinc/31/02/56/388310256.db2.gz PEDGRIXJVSGRQQ-VIFPVBQESA-N 1 2 209.239 2.418 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cccc(F)c1F ZINC000491676768 388310257 /nfs/dbraw/zinc/31/02/57/388310257.db2.gz PEDGRIXJVSGRQQ-VIFPVBQESA-N 1 2 209.239 2.418 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000491690767 388311193 /nfs/dbraw/zinc/31/11/93/388311193.db2.gz DKMRQONLBFQVRB-UHFFFAOYSA-N 1 2 226.279 2.407 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000491690767 388311194 /nfs/dbraw/zinc/31/11/94/388311194.db2.gz DKMRQONLBFQVRB-UHFFFAOYSA-N 1 2 226.279 2.407 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000491694917 388311727 /nfs/dbraw/zinc/31/17/27/388311727.db2.gz LWXSKXXKNSATBY-SNVBAGLBSA-N 1 2 216.259 2.151 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000491694917 388311728 /nfs/dbraw/zinc/31/17/28/388311728.db2.gz LWXSKXXKNSATBY-SNVBAGLBSA-N 1 2 216.259 2.151 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc([C@@H](C)OC)n1 ZINC000491718954 388314490 /nfs/dbraw/zinc/31/44/90/388314490.db2.gz XHQLYFYMCVQNDW-NXEZZACHSA-N 1 2 238.356 2.304 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1csc([C@@H](C)OC)n1 ZINC000491718954 388314491 /nfs/dbraw/zinc/31/44/91/388314491.db2.gz XHQLYFYMCVQNDW-NXEZZACHSA-N 1 2 238.356 2.304 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(CC)n1 ZINC000491738089 388316695 /nfs/dbraw/zinc/31/66/95/388316695.db2.gz OQXWNYNOPIBPQF-VIFPVBQESA-N 1 2 208.330 2.159 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1csc(CC)n1 ZINC000491738089 388316696 /nfs/dbraw/zinc/31/66/96/388316696.db2.gz OQXWNYNOPIBPQF-VIFPVBQESA-N 1 2 208.330 2.159 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000491759723 388318472 /nfs/dbraw/zinc/31/84/72/388318472.db2.gz ODDQOEFVQBSFKP-UHFFFAOYSA-N 1 2 235.356 2.259 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000491759723 388318473 /nfs/dbraw/zinc/31/84/73/388318473.db2.gz ODDQOEFVQBSFKP-UHFFFAOYSA-N 1 2 235.356 2.259 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000491778256 388320173 /nfs/dbraw/zinc/32/01/73/388320173.db2.gz YDJWRVJFGACZSD-CYBMUJFWSA-N 1 2 240.306 2.002 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000491778256 388320174 /nfs/dbraw/zinc/32/01/74/388320174.db2.gz YDJWRVJFGACZSD-CYBMUJFWSA-N 1 2 240.306 2.002 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000491811330 388322726 /nfs/dbraw/zinc/32/27/26/388322726.db2.gz BYLPEDIUPBYGKX-SECBINFHSA-N 1 2 247.323 2.424 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000491811330 388322727 /nfs/dbraw/zinc/32/27/27/388322727.db2.gz BYLPEDIUPBYGKX-SECBINFHSA-N 1 2 247.323 2.424 20 30 BEEDLO C#C[C@@H](C)N(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000491096350 388268632 /nfs/dbraw/zinc/26/86/32/388268632.db2.gz RMNCXJJAUNFINK-SNVBAGLBSA-N 1 2 231.299 2.184 20 30 BEEDLO C=CCN(C(=O)/C=C/c1[nH+]ccn1CC)C1CC1 ZINC000492342360 388342140 /nfs/dbraw/zinc/34/21/40/388342140.db2.gz KQQGQLGLWGZVMF-BQYQJAHWSA-N 1 2 245.326 2.093 20 30 BEEDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000271032093 388370441 /nfs/dbraw/zinc/37/04/41/388370441.db2.gz ZMGMWADJUNMRGP-QWRGUYRKSA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#N)o1 ZINC000271032093 388370444 /nfs/dbraw/zinc/37/04/44/388370444.db2.gz ZMGMWADJUNMRGP-QWRGUYRKSA-N 1 2 234.299 2.151 20 30 BEEDLO Cc1nc(C[NH2+]CC(C)(C)C#N)cs1 ZINC000164690643 388397426 /nfs/dbraw/zinc/39/74/26/388397426.db2.gz ALYMKRJSMGBPID-UHFFFAOYSA-N 1 2 209.318 2.091 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ncccc1F ZINC000528822949 388577170 /nfs/dbraw/zinc/57/71/70/388577170.db2.gz JKZBDBUZUSWAGX-VIFPVBQESA-N 1 2 219.263 2.175 20 30 BEEDLO Cc1cc(C[N@H+](C)Cc2ccon2)ccc1C#N ZINC000488459165 388579674 /nfs/dbraw/zinc/57/96/74/388579674.db2.gz NRGHEWIGOSPGIX-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1cc(C[N@@H+](C)Cc2ccon2)ccc1C#N ZINC000488459165 388579675 /nfs/dbraw/zinc/57/96/75/388579675.db2.gz NRGHEWIGOSPGIX-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cn[nH]c1 ZINC000358815142 388627330 /nfs/dbraw/zinc/62/73/30/388627330.db2.gz VOJYBAQRBXBGNP-VIFPVBQESA-N 1 2 244.273 2.271 20 30 BEEDLO C[C@H]([NH2+]Cc1ccon1)c1ccc(C#N)cc1 ZINC000093326695 388741644 /nfs/dbraw/zinc/74/16/44/388741644.db2.gz LHYMQTMGJATICX-JTQLQIEISA-N 1 2 227.267 2.397 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000093645815 388745640 /nfs/dbraw/zinc/74/56/40/388745640.db2.gz DVBRELPXONUCCY-CYBMUJFWSA-N 1 2 248.351 2.231 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000093645815 388745642 /nfs/dbraw/zinc/74/56/42/388745642.db2.gz DVBRELPXONUCCY-CYBMUJFWSA-N 1 2 248.351 2.231 20 30 BEEDLO CC(C)[N@H+](Cc1cc(C#N)cs1)C1COC1 ZINC000449352438 388747725 /nfs/dbraw/zinc/74/77/25/388747725.db2.gz VLBQYNJPGCGXDZ-UHFFFAOYSA-N 1 2 236.340 2.229 20 30 BEEDLO CC(C)[N@@H+](Cc1cc(C#N)cs1)C1COC1 ZINC000449352438 388747726 /nfs/dbraw/zinc/74/77/26/388747726.db2.gz VLBQYNJPGCGXDZ-UHFFFAOYSA-N 1 2 236.340 2.229 20 30 BEEDLO N#Cc1csc(C[NH2+]C(CF)CF)c1 ZINC000449379825 388748679 /nfs/dbraw/zinc/74/86/79/388748679.db2.gz KGMNCKUGDCFYBI-UHFFFAOYSA-N 1 2 216.256 2.017 20 30 BEEDLO CCC[C@H](CNc1cc(C)[nH+]cc1C#N)OCC ZINC000528079528 388703359 /nfs/dbraw/zinc/70/33/59/388703359.db2.gz FCDYHLDUBFGJBB-CYBMUJFWSA-N 1 2 247.342 2.301 20 30 BEEDLO C[C@@H]1OCC[N@H+](Cc2cc(C#N)ccc2F)[C@H]1C ZINC000156024734 388785021 /nfs/dbraw/zinc/78/50/21/388785021.db2.gz DGPDAVVMCOEFLM-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1OCC[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1C ZINC000156024734 388785024 /nfs/dbraw/zinc/78/50/24/388785024.db2.gz DGPDAVVMCOEFLM-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C#C[C@H](CCC)[NH2+][C@H](CCCC)C(=O)OC ZINC000233039915 388861310 /nfs/dbraw/zinc/86/13/10/388861310.db2.gz ZSFNLQCHTHCOTK-VXGBXAGGSA-N 1 2 225.332 2.110 20 30 BEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565177010 388921806 /nfs/dbraw/zinc/92/18/06/388921806.db2.gz IPSZTWBZLKKDDT-NSHDSACASA-N 1 2 235.331 2.013 20 30 BEEDLO C=C(C)CN(CC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565177010 388921810 /nfs/dbraw/zinc/92/18/10/388921810.db2.gz IPSZTWBZLKKDDT-NSHDSACASA-N 1 2 235.331 2.013 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CCc1ccc(CC)cc1 ZINC001646112606 1172709521 /nfs/dbraw/zinc/70/95/21/1172709521.db2.gz JWTLMGWGGBRALR-INIZCTEOSA-N 1 2 243.350 2.126 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CCc1ccc(CC)cc1 ZINC001646112606 1172709526 /nfs/dbraw/zinc/70/95/26/1172709526.db2.gz JWTLMGWGGBRALR-INIZCTEOSA-N 1 2 243.350 2.126 20 30 BEEDLO C=CC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000177633106 132290630 /nfs/dbraw/zinc/29/06/30/132290630.db2.gz PVQJHPYTUATECQ-UHFFFAOYSA-N 1 2 238.281 2.273 20 30 BEEDLO Cc1ccc(C)c(N2CC[NH+](CCC#N)CC2)c1 ZINC000058497454 132368460 /nfs/dbraw/zinc/36/84/60/132368460.db2.gz QIRKNVXHWZYVJB-UHFFFAOYSA-N 1 2 243.354 2.339 20 30 BEEDLO Oc1ccccc1/C=[NH+]/CCCO[C@H]1CCOC1 ZINC000129353922 133484085 /nfs/dbraw/zinc/48/40/85/133484085.db2.gz YVQSFNJXECWKCZ-LERPTODRSA-N 1 2 249.310 2.007 20 30 BEEDLO Cc1ccc2c(c1)C[N@@H+](CC1(C#N)CC1)CCO2 ZINC000335944204 134019167 /nfs/dbraw/zinc/01/91/67/134019167.db2.gz VBIHJXHYHSTRGA-UHFFFAOYSA-N 1 2 242.322 2.493 20 30 BEEDLO Cc1ccc2c(c1)C[N@H+](CC1(C#N)CC1)CCO2 ZINC000335944204 134019168 /nfs/dbraw/zinc/01/91/68/134019168.db2.gz VBIHJXHYHSTRGA-UHFFFAOYSA-N 1 2 242.322 2.493 20 30 BEEDLO Cc1cnc(C[NH+]2CCC(C#N)CC2)s1 ZINC000335946165 134019791 /nfs/dbraw/zinc/01/97/91/134019791.db2.gz LJBVOANAHPWSPM-UHFFFAOYSA-N 1 2 221.329 2.187 20 30 BEEDLO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)CCC1(F)F ZINC000352003735 134034284 /nfs/dbraw/zinc/03/42/84/134034284.db2.gz AJDSOMWKEGNEDQ-GHMZBOCLSA-N 1 2 241.285 2.407 20 30 BEEDLO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCC1(F)F ZINC000352003735 134034285 /nfs/dbraw/zinc/03/42/85/134034285.db2.gz AJDSOMWKEGNEDQ-GHMZBOCLSA-N 1 2 241.285 2.407 20 30 BEEDLO CC#CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000336145356 134101926 /nfs/dbraw/zinc/10/19/26/134101926.db2.gz IMIXLLROUZXEGO-UHFFFAOYSA-N 1 2 231.299 2.152 20 30 BEEDLO N#CC1(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)CCC1 ZINC000333723267 134128916 /nfs/dbraw/zinc/12/89/16/134128916.db2.gz RXMYIUIIQPDOKG-LBPRGKRZSA-N 1 2 230.315 2.240 20 30 BEEDLO N#CC1(C[N@H+]2CCC[C@H]2c2cc[nH]n2)CCC1 ZINC000333723267 134128917 /nfs/dbraw/zinc/12/89/17/134128917.db2.gz RXMYIUIIQPDOKG-LBPRGKRZSA-N 1 2 230.315 2.240 20 30 BEEDLO C=C(C)CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000352394055 134143229 /nfs/dbraw/zinc/14/32/29/134143229.db2.gz HVJMGQJFKXGEIO-ZDUSSCGKSA-N 1 2 242.326 2.450 20 30 BEEDLO C=C(C)CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000352394054 134143401 /nfs/dbraw/zinc/14/34/01/134143401.db2.gz HVJMGQJFKXGEIO-CYBMUJFWSA-N 1 2 242.326 2.450 20 30 BEEDLO CC[N@@H+](Cc1cccc(O)c1OC)C[C@H](C)C#N ZINC000352695338 134151257 /nfs/dbraw/zinc/15/12/57/134151257.db2.gz YSYCXXTVAPMBAA-LLVKDONJSA-N 1 2 248.326 2.382 20 30 BEEDLO CC[N@H+](Cc1cccc(O)c1OC)C[C@H](C)C#N ZINC000352695338 134151258 /nfs/dbraw/zinc/15/12/58/134151258.db2.gz YSYCXXTVAPMBAA-LLVKDONJSA-N 1 2 248.326 2.382 20 30 BEEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC2(C#N)CC2)on1 ZINC000336630051 134152239 /nfs/dbraw/zinc/15/22/39/134152239.db2.gz CFHPJOCABIPCFI-NSHDSACASA-N 1 2 231.299 2.424 20 30 BEEDLO Cc1cc([C@@H]2CCC[N@H+]2CC2(C#N)CC2)on1 ZINC000336630051 134152240 /nfs/dbraw/zinc/15/22/40/134152240.db2.gz CFHPJOCABIPCFI-NSHDSACASA-N 1 2 231.299 2.424 20 30 BEEDLO C=C[C@@H](C)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000301926034 134156772 /nfs/dbraw/zinc/15/67/72/134156772.db2.gz GVSNZZZBZCEACP-SECBINFHSA-N 1 2 235.335 2.047 20 30 BEEDLO C=C[C@@H](C)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000301926034 134156773 /nfs/dbraw/zinc/15/67/73/134156773.db2.gz GVSNZZZBZCEACP-SECBINFHSA-N 1 2 235.335 2.047 20 30 BEEDLO C#CCCCCNc1nc(N)c2ccccc2[nH+]1 ZINC000301892330 134156831 /nfs/dbraw/zinc/15/68/31/134156831.db2.gz MIQISXFTABIPLK-UHFFFAOYSA-N 1 2 240.310 2.427 20 30 BEEDLO C=CCO[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000302156933 134157625 /nfs/dbraw/zinc/15/76/25/134157625.db2.gz NCTNAVAKEDBRRD-NSHDSACASA-N 1 2 243.310 2.344 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000354043943 134166739 /nfs/dbraw/zinc/16/67/39/134166739.db2.gz CVPXHLONTFAONE-SECBINFHSA-N 1 2 232.331 2.151 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000354043943 134166740 /nfs/dbraw/zinc/16/67/40/134166740.db2.gz CVPXHLONTFAONE-SECBINFHSA-N 1 2 232.331 2.151 20 30 BEEDLO Cc1ccncc1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000361414104 134205199 /nfs/dbraw/zinc/20/51/99/134205199.db2.gz UERLEXQLPPULKM-CYBMUJFWSA-N 1 2 242.326 2.265 20 30 BEEDLO Cc1ccncc1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000361414104 134205200 /nfs/dbraw/zinc/20/52/00/134205200.db2.gz UERLEXQLPPULKM-CYBMUJFWSA-N 1 2 242.326 2.265 20 30 BEEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361605417 134206525 /nfs/dbraw/zinc/20/65/25/134206525.db2.gz YOTJIJMKSABEKB-GFCCVEGCSA-N 1 2 244.338 2.001 20 30 BEEDLO C=CCNC(=O)[C@@H](C)[N@H+]1Cc2ccc(C)cc2C1 ZINC000361605417 134206526 /nfs/dbraw/zinc/20/65/26/134206526.db2.gz YOTJIJMKSABEKB-GFCCVEGCSA-N 1 2 244.338 2.001 20 30 BEEDLO CCC(CC)C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000363111132 134215175 /nfs/dbraw/zinc/21/51/75/134215175.db2.gz PULJUIYGSDFOMM-AWEZNQCLSA-N 1 2 235.375 2.095 20 30 BEEDLO CCC(CC)C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000363111132 134215176 /nfs/dbraw/zinc/21/51/76/134215176.db2.gz PULJUIYGSDFOMM-AWEZNQCLSA-N 1 2 235.375 2.095 20 30 BEEDLO CC(C)C[C@H](C)C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000369192705 134222081 /nfs/dbraw/zinc/22/20/81/134222081.db2.gz HRQNAZRVMJEROV-DZGCQCFKSA-N 1 2 249.402 2.341 20 30 BEEDLO CC(C)C[C@H](C)C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000369192705 134222082 /nfs/dbraw/zinc/22/20/82/134222082.db2.gz HRQNAZRVMJEROV-DZGCQCFKSA-N 1 2 249.402 2.341 20 30 BEEDLO CCOc1ccccc1C[NH2+]CCC#N ZINC000020199364 134223610 /nfs/dbraw/zinc/22/36/10/134223610.db2.gz QSPGPFITWGHFRF-UHFFFAOYSA-N 1 2 204.273 2.089 20 30 BEEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC#N)C1 ZINC000373914656 134235143 /nfs/dbraw/zinc/23/51/43/134235143.db2.gz YGFPAFFMZWICJT-RFGFWPKPSA-N 1 2 236.359 2.162 20 30 BEEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC#N)C1 ZINC000373914656 134235144 /nfs/dbraw/zinc/23/51/44/134235144.db2.gz YGFPAFFMZWICJT-RFGFWPKPSA-N 1 2 236.359 2.162 20 30 BEEDLO C[N@H+](Cc1ccon1)Cc1cccc(C#N)c1 ZINC000172653737 134266996 /nfs/dbraw/zinc/26/69/96/134266996.db2.gz DMLJRIKFHZEIIW-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C[N@@H+](Cc1ccon1)Cc1cccc(C#N)c1 ZINC000172653737 134266997 /nfs/dbraw/zinc/26/69/97/134266997.db2.gz DMLJRIKFHZEIIW-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000223665494 134341028 /nfs/dbraw/zinc/34/10/28/134341028.db2.gz DGXCKHHGJDVDQQ-VIFPVBQESA-N 1 2 242.282 2.101 20 30 BEEDLO C#CC[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185086439 134373418 /nfs/dbraw/zinc/37/34/18/134373418.db2.gz OHXPTXFFNCZJMD-SECBINFHSA-N 1 2 245.257 2.160 20 30 BEEDLO Cc1ccccc1OCC[N@@H+](C)CCC#N ZINC000052816194 134386315 /nfs/dbraw/zinc/38/63/15/134386315.db2.gz CBDVAOVMSBUDIK-UHFFFAOYSA-N 1 2 218.300 2.219 20 30 BEEDLO Cc1ccccc1OCC[N@H+](C)CCC#N ZINC000052816194 134386316 /nfs/dbraw/zinc/38/63/16/134386316.db2.gz CBDVAOVMSBUDIK-UHFFFAOYSA-N 1 2 218.300 2.219 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc2c(c1)OCO2 ZINC000060845882 134392765 /nfs/dbraw/zinc/39/27/65/134392765.db2.gz VVSVTAQTMRETBJ-UHFFFAOYSA-N 1 2 232.283 2.151 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc2c(c1)OCO2 ZINC000060845882 134392766 /nfs/dbraw/zinc/39/27/66/134392766.db2.gz VVSVTAQTMRETBJ-UHFFFAOYSA-N 1 2 232.283 2.151 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000063086369 134396044 /nfs/dbraw/zinc/39/60/44/134396044.db2.gz NHKMCWPMWHYYIZ-GFCCVEGCSA-N 1 2 243.310 2.171 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000063086369 134396045 /nfs/dbraw/zinc/39/60/45/134396045.db2.gz NHKMCWPMWHYYIZ-GFCCVEGCSA-N 1 2 243.310 2.171 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1O ZINC000068613244 134398239 /nfs/dbraw/zinc/39/82/39/134398239.db2.gz GDXWTBFJKOAASV-JTQLQIEISA-N 1 2 234.299 2.135 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1O ZINC000068613244 134398240 /nfs/dbraw/zinc/39/82/40/134398240.db2.gz GDXWTBFJKOAASV-JTQLQIEISA-N 1 2 234.299 2.135 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126205615 134609149 /nfs/dbraw/zinc/60/91/49/134609149.db2.gz MRAIGXCGDJMXLJ-OAHLLOKOSA-N 1 2 229.323 2.392 20 30 BEEDLO CC#CC[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126205615 134609150 /nfs/dbraw/zinc/60/91/50/134609150.db2.gz MRAIGXCGDJMXLJ-OAHLLOKOSA-N 1 2 229.323 2.392 20 30 BEEDLO CCc1cnc(C[N@H+](C)CCCC#N)s1 ZINC000175515208 134898376 /nfs/dbraw/zinc/89/83/76/134898376.db2.gz QLDAWXMMYGSJAU-UHFFFAOYSA-N 1 2 223.345 2.441 20 30 BEEDLO CCc1cnc(C[N@@H+](C)CCCC#N)s1 ZINC000175515208 134898379 /nfs/dbraw/zinc/89/83/79/134898379.db2.gz QLDAWXMMYGSJAU-UHFFFAOYSA-N 1 2 223.345 2.441 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](c3ccco3)C2)C1 ZINC000339018491 135052280 /nfs/dbraw/zinc/05/22/80/135052280.db2.gz ZBKWGPJNDKYWMG-BZPMIXESSA-N 1 2 246.310 2.345 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](c3ccco3)C2)C1 ZINC000339018491 135052283 /nfs/dbraw/zinc/05/22/83/135052283.db2.gz ZBKWGPJNDKYWMG-BZPMIXESSA-N 1 2 246.310 2.345 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](c3ccco3)C2)C1 ZINC000339018492 135052653 /nfs/dbraw/zinc/05/26/53/135052653.db2.gz ZBKWGPJNDKYWMG-DYEKYZERSA-N 1 2 246.310 2.345 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](c3ccco3)C2)C1 ZINC000339018492 135052654 /nfs/dbraw/zinc/05/26/54/135052654.db2.gz ZBKWGPJNDKYWMG-DYEKYZERSA-N 1 2 246.310 2.345 20 30 BEEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCC#N ZINC000265537322 135145319 /nfs/dbraw/zinc/14/53/19/135145319.db2.gz VUVVSVSHHDPMFN-ZDUSSCGKSA-N 1 2 246.310 2.136 20 30 BEEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCC#N ZINC000265537322 135145320 /nfs/dbraw/zinc/14/53/20/135145320.db2.gz VUVVSVSHHDPMFN-ZDUSSCGKSA-N 1 2 246.310 2.136 20 30 BEEDLO CC[N@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000267027627 135150941 /nfs/dbraw/zinc/15/09/41/135150941.db2.gz AFFNYIZGIPYGQQ-CYBMUJFWSA-N 1 2 236.290 2.095 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000267027627 135150943 /nfs/dbraw/zinc/15/09/43/135150943.db2.gz AFFNYIZGIPYGQQ-CYBMUJFWSA-N 1 2 236.290 2.095 20 30 BEEDLO CCN(CCC#N)Cc1cn2cc(C)ccc2[nH+]1 ZINC000267214462 135152562 /nfs/dbraw/zinc/15/25/62/135152562.db2.gz RIZIDJADRFENPI-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO N#CCCCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000270307670 135170471 /nfs/dbraw/zinc/17/04/71/135170471.db2.gz RMWCLQGNIMDGOF-UHFFFAOYSA-N 1 2 245.330 2.404 20 30 BEEDLO N#CCCCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000270307670 135170473 /nfs/dbraw/zinc/17/04/73/135170473.db2.gz RMWCLQGNIMDGOF-UHFFFAOYSA-N 1 2 245.330 2.404 20 30 BEEDLO Cc1cccc(C[NH+]2CC(C)(C#N)C2)c1O ZINC000297317703 135195078 /nfs/dbraw/zinc/19/50/78/135195078.db2.gz CKFKKSOXEPFHEX-UHFFFAOYSA-N 1 2 216.284 2.046 20 30 BEEDLO N#CCC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000298545300 135199792 /nfs/dbraw/zinc/19/97/92/135199792.db2.gz NNWCMKDTYPFOKJ-UHFFFAOYSA-N 1 2 213.284 2.084 20 30 BEEDLO N#CCC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000298545300 135199794 /nfs/dbraw/zinc/19/97/94/135199794.db2.gz NNWCMKDTYPFOKJ-UHFFFAOYSA-N 1 2 213.284 2.084 20 30 BEEDLO N#CCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000298885486 135200966 /nfs/dbraw/zinc/20/09/66/135200966.db2.gz KQTFCIAJONSJBI-UHFFFAOYSA-N 1 2 211.268 2.051 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc2c1OCCO2 ZINC000299402928 135203174 /nfs/dbraw/zinc/20/31/74/135203174.db2.gz YMLWMBGXJVVEGZ-NSHDSACASA-N 1 2 246.310 2.049 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000299402928 135203175 /nfs/dbraw/zinc/20/31/75/135203175.db2.gz YMLWMBGXJVVEGZ-NSHDSACASA-N 1 2 246.310 2.049 20 30 BEEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC#N ZINC000299536385 135205060 /nfs/dbraw/zinc/20/50/60/135205060.db2.gz FBDLPCRRJKQJKX-NSHDSACASA-N 1 2 218.304 2.077 20 30 BEEDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCC#N ZINC000299536385 135205062 /nfs/dbraw/zinc/20/50/62/135205062.db2.gz FBDLPCRRJKQJKX-NSHDSACASA-N 1 2 218.304 2.077 20 30 BEEDLO Cc1cccc2[nH+]c(CN(CC#N)C3CC3)cn21 ZINC000299581054 135205447 /nfs/dbraw/zinc/20/54/47/135205447.db2.gz WHWCOJZSPDVVIN-UHFFFAOYSA-N 1 2 240.310 2.131 20 30 BEEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC#N ZINC000299536382 135205611 /nfs/dbraw/zinc/20/56/11/135205611.db2.gz FBDLPCRRJKQJKX-LLVKDONJSA-N 1 2 218.304 2.077 20 30 BEEDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC#N ZINC000299536382 135205613 /nfs/dbraw/zinc/20/56/13/135205613.db2.gz FBDLPCRRJKQJKX-LLVKDONJSA-N 1 2 218.304 2.077 20 30 BEEDLO Cc1c[nH+]ccc1CCNc1ccnc(C#N)c1 ZINC000342801239 135321887 /nfs/dbraw/zinc/32/18/87/135321887.db2.gz CLLQFAFWBNXDHF-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO Cc1cc(N)nc(S[C@H]2CC[C@@H](C#N)C2)[nH+]1 ZINC000278538158 135368255 /nfs/dbraw/zinc/36/82/55/135368255.db2.gz JKXSRCXSYADNOR-BDAKNGLRSA-N 1 2 234.328 2.152 20 30 BEEDLO C=C1CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000282653652 135525353 /nfs/dbraw/zinc/52/53/53/135525353.db2.gz COCYQLQBOXKDFH-UHFFFAOYSA-N 1 2 234.347 2.185 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(C(C)C)nn1 ZINC000348351060 136072102 /nfs/dbraw/zinc/07/21/02/136072102.db2.gz CWDYAGGGVLVVLV-CYBMUJFWSA-N 1 2 234.347 2.400 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(C(C)C)nn1 ZINC000348351060 136072103 /nfs/dbraw/zinc/07/21/03/136072103.db2.gz CWDYAGGGVLVVLV-CYBMUJFWSA-N 1 2 234.347 2.400 20 30 BEEDLO CC1(C(N)=O)C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000335387990 136089823 /nfs/dbraw/zinc/08/98/23/136089823.db2.gz INYQSMIIUCDUHR-UHFFFAOYSA-N 1 2 247.273 2.055 20 30 BEEDLO CC1(C(N)=O)C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000335390885 136090627 /nfs/dbraw/zinc/09/06/27/136090627.db2.gz ZHIFRGHQMKSKPI-UHFFFAOYSA-N 1 2 247.273 2.055 20 30 BEEDLO C[C@@H]1CC[N@H+](CC2(C#N)CCC2)[C@@H](C(N)=O)C1 ZINC000335586650 136102250 /nfs/dbraw/zinc/10/22/50/136102250.db2.gz RHVWZJVIWLTFKS-GHMZBOCLSA-N 1 2 235.331 2.316 20 30 BEEDLO C[C@@H]1CC[N@@H+](CC2(C#N)CCC2)[C@@H](C(N)=O)C1 ZINC000335586650 136102251 /nfs/dbraw/zinc/10/22/51/136102251.db2.gz RHVWZJVIWLTFKS-GHMZBOCLSA-N 1 2 235.331 2.316 20 30 BEEDLO C#C[C@@H](CC)[NH2+]Cc1nnc(C(C)C)s1 ZINC000894387588 583444530 /nfs/dbraw/zinc/44/45/30/583444530.db2.gz QKEQCJHMUYYZHZ-VIFPVBQESA-N 1 2 223.345 2.163 20 30 BEEDLO CC(C)n1ccc(C[NH2+]Cc2ccc(C#N)o2)n1 ZINC000563868893 397830484 /nfs/dbraw/zinc/83/04/84/397830484.db2.gz XJPOFRZYHMUGIW-UHFFFAOYSA-N 1 2 244.298 2.218 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000649693352 398041158 /nfs/dbraw/zinc/04/11/58/398041158.db2.gz ALHZWDUGHPOFCR-SNVBAGLBSA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000649693352 398041161 /nfs/dbraw/zinc/04/11/61/398041161.db2.gz ALHZWDUGHPOFCR-SNVBAGLBSA-N 1 2 219.275 2.045 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000271718497 397971572 /nfs/dbraw/zinc/97/15/72/397971572.db2.gz JBWOUKWZCSSFOE-LLVKDONJSA-N 1 2 242.326 2.165 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000271718497 397971576 /nfs/dbraw/zinc/97/15/76/397971576.db2.gz JBWOUKWZCSSFOE-LLVKDONJSA-N 1 2 242.326 2.165 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172748982 398042614 /nfs/dbraw/zinc/04/26/14/398042614.db2.gz QECGEXRXJIPMKI-UHFFFAOYSA-N 1 2 218.256 2.050 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172748982 398042617 /nfs/dbraw/zinc/04/26/17/398042617.db2.gz QECGEXRXJIPMKI-UHFFFAOYSA-N 1 2 218.256 2.050 20 30 BEEDLO Cc1ccoc1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000292084343 398100090 /nfs/dbraw/zinc/10/00/90/398100090.db2.gz DQLPVUZWSMMLGP-GFCCVEGCSA-N 1 2 231.299 2.463 20 30 BEEDLO Cc1ccoc1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000292084343 398100093 /nfs/dbraw/zinc/10/00/93/398100093.db2.gz DQLPVUZWSMMLGP-GFCCVEGCSA-N 1 2 231.299 2.463 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000192232643 398107480 /nfs/dbraw/zinc/10/74/80/398107480.db2.gz PLKXSMNUVIZKJV-LLVKDONJSA-N 1 2 241.294 2.363 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000192232643 398107481 /nfs/dbraw/zinc/10/74/81/398107481.db2.gz PLKXSMNUVIZKJV-LLVKDONJSA-N 1 2 241.294 2.363 20 30 BEEDLO C=CC(C)(C)CNc1cc(CC)[nH+]cn1 ZINC000384903134 398116175 /nfs/dbraw/zinc/11/61/75/398116175.db2.gz BEQVHHXLNMPDII-UHFFFAOYSA-N 1 2 205.305 2.085 20 30 BEEDLO CCc1ccc(C[NH2+]CC2(C#N)CCOCC2)o1 ZINC001651674186 1172974975 /nfs/dbraw/zinc/97/49/75/1172974975.db2.gz UZAPEFMRLATVDS-UHFFFAOYSA-N 1 2 248.326 2.252 20 30 BEEDLO CCCn1c[nH+]cc1CN(C)[C@@H](C)CC#N ZINC001651830534 1172991967 /nfs/dbraw/zinc/99/19/67/1172991967.db2.gz CBGILNOXWPNTFV-NSHDSACASA-N 1 2 220.320 2.027 20 30 BEEDLO N#CC1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC001651820696 1172992092 /nfs/dbraw/zinc/99/20/92/1172992092.db2.gz YOMDDHUNSBIRFR-UHFFFAOYSA-N 1 2 242.326 2.090 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000191870469 487606062 /nfs/dbraw/zinc/60/60/62/487606062.db2.gz LSKTYGWFVSNTET-PHIMTYICSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000191870469 487606068 /nfs/dbraw/zinc/60/60/68/487606068.db2.gz LSKTYGWFVSNTET-PHIMTYICSA-N 1 2 248.301 2.307 20 30 BEEDLO C#CCC[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC000149091785 166134447 /nfs/dbraw/zinc/13/44/47/166134447.db2.gz IQFZMXZEQDNLDE-UHFFFAOYSA-N 1 2 245.322 2.075 20 30 BEEDLO C#CCC[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC000149091785 166134449 /nfs/dbraw/zinc/13/44/49/166134449.db2.gz IQFZMXZEQDNLDE-UHFFFAOYSA-N 1 2 245.322 2.075 20 30 BEEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(C(C)C)no1 ZINC000266915710 166168926 /nfs/dbraw/zinc/16/89/26/166168926.db2.gz KKYBHTQEFCQILQ-JTQLQIEISA-N 1 2 221.304 2.209 20 30 BEEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(C(C)C)no1 ZINC000266915710 166168929 /nfs/dbraw/zinc/16/89/29/166168929.db2.gz KKYBHTQEFCQILQ-JTQLQIEISA-N 1 2 221.304 2.209 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000192227600 166161354 /nfs/dbraw/zinc/16/13/54/166161354.db2.gz ITJCIRVXBJNNAP-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000192227600 166161356 /nfs/dbraw/zinc/16/13/56/166161356.db2.gz ITJCIRVXBJNNAP-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccccc1CC ZINC000266902712 166167699 /nfs/dbraw/zinc/16/76/99/166167699.db2.gz HAQJYAKMYCRPHP-UHFFFAOYSA-N 1 2 244.338 2.143 20 30 BEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccccc1CC ZINC000266902712 166167702 /nfs/dbraw/zinc/16/77/02/166167702.db2.gz HAQJYAKMYCRPHP-UHFFFAOYSA-N 1 2 244.338 2.143 20 30 BEEDLO C=CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000275892187 166243956 /nfs/dbraw/zinc/24/39/56/166243956.db2.gz SFKIAULKJLPWIH-CYBMUJFWSA-N 1 2 242.326 2.450 20 30 BEEDLO C=CCC[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000305056721 166303172 /nfs/dbraw/zinc/30/31/72/166303172.db2.gz FIUKSAFBDPWKJG-ZDUSSCGKSA-N 1 2 222.332 2.082 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000305056721 166303174 /nfs/dbraw/zinc/30/31/74/166303174.db2.gz FIUKSAFBDPWKJG-ZDUSSCGKSA-N 1 2 222.332 2.082 20 30 BEEDLO C=CC[N@@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000154765970 166321207 /nfs/dbraw/zinc/32/12/07/166321207.db2.gz NTXONDDFTAFQST-UHFFFAOYSA-N 1 2 227.739 2.254 20 30 BEEDLO C=CC[N@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000154765970 166321213 /nfs/dbraw/zinc/32/12/13/166321213.db2.gz NTXONDDFTAFQST-UHFFFAOYSA-N 1 2 227.739 2.254 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1cc(OC)ccc1O ZINC000292718663 166340091 /nfs/dbraw/zinc/34/00/91/166340091.db2.gz DZKRVGOHLOIQJJ-UHFFFAOYSA-N 1 2 246.310 2.302 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1cc(OC)ccc1O ZINC000292718663 166340093 /nfs/dbraw/zinc/34/00/93/166340093.db2.gz DZKRVGOHLOIQJJ-UHFFFAOYSA-N 1 2 246.310 2.302 20 30 BEEDLO C=CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)OC ZINC000265977989 166342877 /nfs/dbraw/zinc/34/28/77/166342877.db2.gz AHIDVJPACDMBPW-CYBMUJFWSA-N 1 2 247.338 2.279 20 30 BEEDLO C=CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)OC ZINC000265977989 166342881 /nfs/dbraw/zinc/34/28/81/166342881.db2.gz AHIDVJPACDMBPW-CYBMUJFWSA-N 1 2 247.338 2.279 20 30 BEEDLO C=CC[N@@H+](CCc1ccco1)Cc1nccn1C ZINC000272297481 166344877 /nfs/dbraw/zinc/34/48/77/166344877.db2.gz PCEPTDQUFYWYAQ-UHFFFAOYSA-N 1 2 245.326 2.244 20 30 BEEDLO C=CC[N@H+](CCc1ccco1)Cc1nccn1C ZINC000272297481 166344880 /nfs/dbraw/zinc/34/48/80/166344880.db2.gz PCEPTDQUFYWYAQ-UHFFFAOYSA-N 1 2 245.326 2.244 20 30 BEEDLO C=CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066847955 166355842 /nfs/dbraw/zinc/35/58/42/166355842.db2.gz FGGVMWAYZLXZKE-CYBMUJFWSA-N 1 2 221.275 2.385 20 30 BEEDLO C=CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066847955 166355843 /nfs/dbraw/zinc/35/58/43/166355843.db2.gz FGGVMWAYZLXZKE-CYBMUJFWSA-N 1 2 221.275 2.385 20 30 BEEDLO C=CC[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000661384228 410600419 /nfs/dbraw/zinc/60/04/19/410600419.db2.gz HVAUPDFXRJMALT-JTQLQIEISA-N 1 2 223.345 2.326 20 30 BEEDLO C=CC[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000661384228 410600425 /nfs/dbraw/zinc/60/04/25/410600425.db2.gz HVAUPDFXRJMALT-JTQLQIEISA-N 1 2 223.345 2.326 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C)c(OC)n1 ZINC001652113554 1173033750 /nfs/dbraw/zinc/03/37/50/1173033750.db2.gz DJIRJDCWJAWFLU-LLVKDONJSA-N 1 2 233.315 2.181 20 30 BEEDLO C=CCCCN(C)c1nc[nH+]c(C)c1OC ZINC000656127430 411183096 /nfs/dbraw/zinc/18/30/96/411183096.db2.gz GKKLHDUIVXGFOK-UHFFFAOYSA-N 1 2 221.304 2.196 20 30 BEEDLO C=CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000655020310 411478748 /nfs/dbraw/zinc/47/87/48/411478748.db2.gz ZWLPSIBJNSQFOC-UHFFFAOYSA-N 1 2 243.310 2.291 20 30 BEEDLO C=CC[N@H+](Cc1ncc(C)o1)[C@@H](C)COC ZINC000661243754 411735290 /nfs/dbraw/zinc/73/52/90/411735290.db2.gz MSGZBPLVLVSCIV-JTQLQIEISA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[N@@H+](Cc1ncc(C)o1)[C@@H](C)COC ZINC000661243754 411735291 /nfs/dbraw/zinc/73/52/91/411735291.db2.gz MSGZBPLVLVSCIV-JTQLQIEISA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[C@@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000661378316 411760997 /nfs/dbraw/zinc/76/09/97/411760997.db2.gz COHNMDBFKNQDLA-LLVKDONJSA-N 1 2 221.304 2.166 20 30 BEEDLO C=CC[C@@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000661378316 411761002 /nfs/dbraw/zinc/76/10/02/411761002.db2.gz COHNMDBFKNQDLA-LLVKDONJSA-N 1 2 221.304 2.166 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(CC)[nH]1)C(C)(C)C ZINC000661760742 411870738 /nfs/dbraw/zinc/87/07/38/411870738.db2.gz YSPVMANHYBJRIK-UHFFFAOYSA-N 1 2 222.336 2.154 20 30 BEEDLO C=CC[N@H+](Cc1nnc(CC)[nH]1)C(C)(C)C ZINC000661760742 411870740 /nfs/dbraw/zinc/87/07/40/411870740.db2.gz YSPVMANHYBJRIK-UHFFFAOYSA-N 1 2 222.336 2.154 20 30 BEEDLO C=CC[N@@H+](Cc1nc(COC)no1)C(C)(C)C ZINC000661759968 411872115 /nfs/dbraw/zinc/87/21/15/411872115.db2.gz NIRXUFCWSLLWEQ-UHFFFAOYSA-N 1 2 239.319 2.003 20 30 BEEDLO C=CC[N@H+](Cc1nc(COC)no1)C(C)(C)C ZINC000661759968 411872116 /nfs/dbraw/zinc/87/21/16/411872116.db2.gz NIRXUFCWSLLWEQ-UHFFFAOYSA-N 1 2 239.319 2.003 20 30 BEEDLO C=C(CC)C[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662246571 412043889 /nfs/dbraw/zinc/04/38/89/412043889.db2.gz ZIBDBOSTFFZINN-UHFFFAOYSA-N 1 2 248.374 2.357 20 30 BEEDLO C=C(CC)C[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662246571 412043890 /nfs/dbraw/zinc/04/38/90/412043890.db2.gz ZIBDBOSTFFZINN-UHFFFAOYSA-N 1 2 248.374 2.357 20 30 BEEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000042207228 175096030 /nfs/dbraw/zinc/09/60/30/175096030.db2.gz PNNXYMYCOIJSQL-NSHDSACASA-N 1 2 218.300 2.287 20 30 BEEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000042207228 175096032 /nfs/dbraw/zinc/09/60/32/175096032.db2.gz PNNXYMYCOIJSQL-NSHDSACASA-N 1 2 218.300 2.287 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000042315673 175096428 /nfs/dbraw/zinc/09/64/28/175096428.db2.gz UMTPFOITAPRJDK-NSHDSACASA-N 1 2 218.300 2.429 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000042315673 175096431 /nfs/dbraw/zinc/09/64/31/175096431.db2.gz UMTPFOITAPRJDK-NSHDSACASA-N 1 2 218.300 2.429 20 30 BEEDLO C[C@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000126934380 177262187 /nfs/dbraw/zinc/26/21/87/177262187.db2.gz HKBYAOBDIALSLU-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H](C)N1C ZINC000293579938 177262523 /nfs/dbraw/zinc/26/25/23/177262523.db2.gz HQGODHMHADRINY-PHIMTYICSA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H](C)N1C ZINC000293579938 177262524 /nfs/dbraw/zinc/26/25/24/177262524.db2.gz HQGODHMHADRINY-PHIMTYICSA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@H]1C[C@H](C)[NH+]1CC(=O)Nc1sccc1C#N ZINC000336567603 177360229 /nfs/dbraw/zinc/36/02/29/177360229.db2.gz RXRPDZGVNSYVAH-IUCAKERBSA-N 1 2 249.339 2.041 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC000126546842 177398257 /nfs/dbraw/zinc/39/82/57/177398257.db2.gz QUGXMUVHHJILMI-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC000126546842 177398258 /nfs/dbraw/zinc/39/82/58/177398258.db2.gz QUGXMUVHHJILMI-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000156023145 177399217 /nfs/dbraw/zinc/39/92/17/177399217.db2.gz UDRFWOGBRCGXKV-VXGBXAGGSA-N 1 2 230.311 2.167 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000156023145 177399223 /nfs/dbraw/zinc/39/92/23/177399223.db2.gz UDRFWOGBRCGXKV-VXGBXAGGSA-N 1 2 230.311 2.167 20 30 BEEDLO C[C@H]1C[C@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000488342427 225380679 /nfs/dbraw/zinc/38/06/79/225380679.db2.gz XCUZSWKXRRLGGF-STQMWFEESA-N 1 2 229.327 2.453 20 30 BEEDLO C[C@H]1C[C@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000488342427 225380683 /nfs/dbraw/zinc/38/06/83/225380683.db2.gz XCUZSWKXRRLGGF-STQMWFEESA-N 1 2 229.327 2.453 20 30 BEEDLO Cc1cc(C[N@H+](C)Cc2cc[nH]n2)ccc1C#N ZINC000487872674 225327463 /nfs/dbraw/zinc/32/74/63/225327463.db2.gz OUHSAZLROWLVEH-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(C[N@@H+](C)Cc2cc[nH]n2)ccc1C#N ZINC000487872674 225327466 /nfs/dbraw/zinc/32/74/66/225327466.db2.gz OUHSAZLROWLVEH-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(N(C)Cc2cscn2)c(C#N)c[nH+]1 ZINC000399492871 262808721 /nfs/dbraw/zinc/80/87/21/262808721.db2.gz GGWSPPMTLDPUDQ-UHFFFAOYSA-N 1 2 244.323 2.355 20 30 BEEDLO Cc1cc(NCCSC(C)C)c(C#N)c[nH+]1 ZINC000399685484 262843255 /nfs/dbraw/zinc/84/32/55/262843255.db2.gz WUZUIGNPXXHDEY-UHFFFAOYSA-N 1 2 235.356 2.237 20 30 BEEDLO Cc1cc(NCCSCC(C)C)c(C#N)c[nH+]1 ZINC000399462978 267299987 /nfs/dbraw/zinc/29/99/87/267299987.db2.gz VZQOEKWIFJRWSB-UHFFFAOYSA-N 1 2 249.383 2.485 20 30 BEEDLO C=CCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000666314569 487784596 /nfs/dbraw/zinc/78/45/96/487784596.db2.gz JZOTVJLWVBMLEZ-UHFFFAOYSA-N 1 2 219.288 2.396 20 30 BEEDLO C=CC[N@@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000681696764 487839071 /nfs/dbraw/zinc/83/90/71/487839071.db2.gz PKMHXEPUOOQOEI-UHFFFAOYSA-N 1 2 248.355 2.161 20 30 BEEDLO C=CC[N@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000681696764 487839076 /nfs/dbraw/zinc/83/90/76/487839076.db2.gz PKMHXEPUOOQOEI-UHFFFAOYSA-N 1 2 248.355 2.161 20 30 BEEDLO CC[N@H+](CCCCCCCO)[C@H](C)C#N ZINC000852638457 588693611 /nfs/dbraw/zinc/69/36/11/588693611.db2.gz CAZABUHAKVLEPT-GFCCVEGCSA-N 1 2 212.337 2.163 20 30 BEEDLO CC[N@@H+](CCCCCCCO)[C@H](C)C#N ZINC000852638457 588693612 /nfs/dbraw/zinc/69/36/12/588693612.db2.gz CAZABUHAKVLEPT-GFCCVEGCSA-N 1 2 212.337 2.163 20 30 BEEDLO C=C(C)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000681771595 487860982 /nfs/dbraw/zinc/86/09/82/487860982.db2.gz NLEQLKFNNNVIIB-UHFFFAOYSA-N 1 2 230.271 2.032 20 30 BEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595608954 487872222 /nfs/dbraw/zinc/87/22/22/487872222.db2.gz DAXUCTQETWZCTO-OLZOCXBDSA-N 1 2 230.315 2.056 20 30 BEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595608954 487872227 /nfs/dbraw/zinc/87/22/27/487872227.db2.gz DAXUCTQETWZCTO-OLZOCXBDSA-N 1 2 230.315 2.056 20 30 BEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595608955 487872261 /nfs/dbraw/zinc/87/22/61/487872261.db2.gz DAXUCTQETWZCTO-QWHCGFSZSA-N 1 2 230.315 2.056 20 30 BEEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595608955 487872265 /nfs/dbraw/zinc/87/22/65/487872265.db2.gz DAXUCTQETWZCTO-QWHCGFSZSA-N 1 2 230.315 2.056 20 30 BEEDLO N#CC[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000595609202 487872379 /nfs/dbraw/zinc/87/23/79/487872379.db2.gz HWHOJBNDZXKUIO-JTQLQIEISA-N 1 2 221.329 2.269 20 30 BEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000595609202 487872384 /nfs/dbraw/zinc/87/23/84/487872384.db2.gz HWHOJBNDZXKUIO-JTQLQIEISA-N 1 2 221.329 2.269 20 30 BEEDLO C=CCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000667062878 487935953 /nfs/dbraw/zinc/93/59/53/487935953.db2.gz QQRSCRXHYYPDFS-UHFFFAOYSA-N 1 2 219.288 2.396 20 30 BEEDLO CCN(CCC#N)Cc1c(C)[nH+]c2ccccn21 ZINC000160555827 323071533 /nfs/dbraw/zinc/07/15/33/323071533.db2.gz WOMFLMLKEDHTQQ-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO CC[N@H+](CCC#N)Cc1c(C)nc2ccccn21 ZINC000160555827 323071534 /nfs/dbraw/zinc/07/15/34/323071534.db2.gz WOMFLMLKEDHTQQ-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1c(C)nc2ccccn21 ZINC000160555827 323071535 /nfs/dbraw/zinc/07/15/35/323071535.db2.gz WOMFLMLKEDHTQQ-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO Cc1cc(N2CCC(CC#N)CC2)c(C#N)c[nH+]1 ZINC000570836792 323072043 /nfs/dbraw/zinc/07/20/43/323072043.db2.gz QOYRGSHXISGQBD-UHFFFAOYSA-N 1 2 240.310 2.392 20 30 BEEDLO C=CCC(C)(C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563402553 323123126 /nfs/dbraw/zinc/12/31/26/323123126.db2.gz AYHZXKWFESQGCZ-NSHDSACASA-N 1 2 249.358 2.307 20 30 BEEDLO C=CCC(C)(C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563402553 323123127 /nfs/dbraw/zinc/12/31/27/323123127.db2.gz AYHZXKWFESQGCZ-NSHDSACASA-N 1 2 249.358 2.307 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000563412826 323124867 /nfs/dbraw/zinc/12/48/67/323124867.db2.gz RGSFHEFYXOGIIG-NXEZZACHSA-N 1 2 221.304 2.189 20 30 BEEDLO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000160828253 323136652 /nfs/dbraw/zinc/13/66/52/323136652.db2.gz VRNSCCSWJHBCOH-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000160828253 323136653 /nfs/dbraw/zinc/13/66/53/323136653.db2.gz VRNSCCSWJHBCOH-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO CCN(CCC#N)C(=O)Nc1ccc(C)[nH+]c1C ZINC000152362621 323178095 /nfs/dbraw/zinc/17/80/95/323178095.db2.gz MBYMLOCKRAMKJZ-UHFFFAOYSA-N 1 2 246.314 2.466 20 30 BEEDLO CCCn1cc(C[N@H+](CCC#N)C(C)C)cn1 ZINC000535795973 323191538 /nfs/dbraw/zinc/19/15/38/323191538.db2.gz PPMHUVSFWLTURX-UHFFFAOYSA-N 1 2 234.347 2.417 20 30 BEEDLO CCCn1cc(C[N@@H+](CCC#N)C(C)C)cn1 ZINC000535795973 323191539 /nfs/dbraw/zinc/19/15/39/323191539.db2.gz PPMHUVSFWLTURX-UHFFFAOYSA-N 1 2 234.347 2.417 20 30 BEEDLO C[C@H]1C[C@H](C)[NH+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000563941394 323328488 /nfs/dbraw/zinc/32/84/88/323328488.db2.gz RBUSZULMDZSLOC-UWVGGRQHSA-N 1 2 245.282 2.449 20 30 BEEDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000563941385 323328672 /nfs/dbraw/zinc/32/86/72/323328672.db2.gz RBUSZULMDZSLOC-NXEZZACHSA-N 1 2 245.282 2.449 20 30 BEEDLO C=CC(C)(C)CCNc1cc(C)[nH+]cn1 ZINC000528074215 323760462 /nfs/dbraw/zinc/76/04/62/323760462.db2.gz LPRNPANSRKVURX-UHFFFAOYSA-N 1 2 205.305 2.221 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1F ZINC000565174556 325868217 /nfs/dbraw/zinc/86/82/17/325868217.db2.gz RNFNDCODXSHVIT-JTQLQIEISA-N 1 2 249.289 2.046 20 30 BEEDLO C[C@H]1Oc2ccccc2[C@H]1[NH2+]CCC#N ZINC000565771056 325954415 /nfs/dbraw/zinc/95/44/15/325954415.db2.gz VMMJPSLIBXRVPE-SKDRFNHKSA-N 1 2 202.257 2.012 20 30 BEEDLO C=CCCCCCNC(=O)CCc1c[nH+]cn1C ZINC000568223030 326328818 /nfs/dbraw/zinc/32/88/18/326328818.db2.gz IPATWNTUSGTHJR-UHFFFAOYSA-N 1 2 249.358 2.215 20 30 BEEDLO C[C@H]1C[N@H+](C[C@H](C#N)CCC#N)CC2(CCC2)O1 ZINC000568627617 326368597 /nfs/dbraw/zinc/36/85/97/326368597.db2.gz DUXYBDYWLTWQGX-STQMWFEESA-N 1 2 247.342 2.073 20 30 BEEDLO C[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC2(CCC2)O1 ZINC000568627617 326368598 /nfs/dbraw/zinc/36/85/98/326368598.db2.gz DUXYBDYWLTWQGX-STQMWFEESA-N 1 2 247.342 2.073 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)cc(C)nc1OC ZINC000569016851 326387062 /nfs/dbraw/zinc/38/70/62/326387062.db2.gz HCENMJITEDUXRN-GFCCVEGCSA-N 1 2 247.342 2.489 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ccnn1CC1CC1 ZINC000667472270 488017396 /nfs/dbraw/zinc/01/73/96/488017396.db2.gz AOJIUTCMGMKRGV-UHFFFAOYSA-N 1 2 231.343 2.467 20 30 BEEDLO C#C[C@H](C)N(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000491415382 488032726 /nfs/dbraw/zinc/03/27/26/488032726.db2.gz HEXLELDMVVEKPN-JTQLQIEISA-N 1 2 231.299 2.184 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667943280 488164955 /nfs/dbraw/zinc/16/49/55/488164955.db2.gz HWISLFAECNIXLG-UHFFFAOYSA-N 1 2 220.320 2.011 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667943280 488164961 /nfs/dbraw/zinc/16/49/61/488164961.db2.gz HWISLFAECNIXLG-UHFFFAOYSA-N 1 2 220.320 2.011 20 30 BEEDLO C=CCCCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000683787700 488222185 /nfs/dbraw/zinc/22/21/85/488222185.db2.gz VBENJNLPFBKZPA-LLVKDONJSA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCCCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000683787700 488222186 /nfs/dbraw/zinc/22/21/86/488222186.db2.gz VBENJNLPFBKZPA-LLVKDONJSA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCCOCC(=O)Nc1ccc(C)[nH+]c1C ZINC000674836145 490093930 /nfs/dbraw/zinc/09/39/30/490093930.db2.gz UAHNDZUDEXWEJZ-UHFFFAOYSA-N 1 2 234.299 2.230 20 30 BEEDLO CCc1noc([C@@H](C)[NH+]2CCC(C)(C#N)CC2)n1 ZINC000408157118 490131521 /nfs/dbraw/zinc/13/15/21/490131521.db2.gz ABAZJRGHKUGGQU-SNVBAGLBSA-N 1 2 248.330 2.319 20 30 BEEDLO C=CCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000665946380 490238886 /nfs/dbraw/zinc/23/88/86/490238886.db2.gz WWMXCCNFXITEFE-LLVKDONJSA-N 1 2 248.330 2.222 20 30 BEEDLO COC(=O)[C@H]1CCC[C@H]([NH2+]C(C)(C)C#N)CC1 ZINC001172768707 974935583 /nfs/dbraw/zinc/93/55/83/974935583.db2.gz WPCAPTBQVBZZQM-QWRGUYRKSA-N 1 2 238.331 2.000 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cc(C)cnc1Cl ZINC000891805485 582724566 /nfs/dbraw/zinc/72/45/66/582724566.db2.gz LPINPXSMCWIMSM-UHFFFAOYSA-N 1 2 222.719 2.499 20 30 BEEDLO C#CC[N@H+](CC)Cc1cc(C)cnc1Cl ZINC000891805485 582724570 /nfs/dbraw/zinc/72/45/70/582724570.db2.gz LPINPXSMCWIMSM-UHFFFAOYSA-N 1 2 222.719 2.499 20 30 BEEDLO C=C(CC)C[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000358494350 534372584 /nfs/dbraw/zinc/37/25/84/534372584.db2.gz FKPQSJQWVOYBEA-SNVBAGLBSA-N 1 2 239.319 2.175 20 30 BEEDLO C=C(CC)C[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000358494350 534372589 /nfs/dbraw/zinc/37/25/89/534372589.db2.gz FKPQSJQWVOYBEA-SNVBAGLBSA-N 1 2 239.319 2.175 20 30 BEEDLO C=C(CC)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000358622032 534393940 /nfs/dbraw/zinc/39/39/40/534393940.db2.gz DEAQAHCIEICACA-CQSZACIVSA-N 1 2 244.338 2.126 20 30 BEEDLO C=C(CC)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000358622032 534393946 /nfs/dbraw/zinc/39/39/46/534393946.db2.gz DEAQAHCIEICACA-CQSZACIVSA-N 1 2 244.338 2.126 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000369374322 534442486 /nfs/dbraw/zinc/44/24/86/534442486.db2.gz ISPOJCJIKQNZJU-SRVKXCTJSA-N 1 2 245.750 2.007 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000369374322 534442493 /nfs/dbraw/zinc/44/24/93/534442493.db2.gz ISPOJCJIKQNZJU-SRVKXCTJSA-N 1 2 245.750 2.007 20 30 BEEDLO C=CC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000110595292 534532789 /nfs/dbraw/zinc/53/27/89/534532789.db2.gz XPXUSOGZCOUJJO-UHFFFAOYSA-N 1 2 203.289 2.187 20 30 BEEDLO C=CC1CC[NH+]([C@H](C)c2csnn2)CC1 ZINC000336194556 534533192 /nfs/dbraw/zinc/53/31/92/534533192.db2.gz ORWWGSIFYNUYEQ-SECBINFHSA-N 1 2 223.345 2.497 20 30 BEEDLO C=C[C@@H](CO)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000289676069 534542357 /nfs/dbraw/zinc/54/23/57/534542357.db2.gz CBQHWZUWTWDBQB-VIFPVBQESA-N 1 2 240.372 2.077 20 30 BEEDLO C=CCCC1(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000353348152 534636455 /nfs/dbraw/zinc/63/64/55/534636455.db2.gz JBGDWXQPEVVIDH-UHFFFAOYSA-N 1 2 247.342 2.136 20 30 BEEDLO C=CCCCC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374357664 534653884 /nfs/dbraw/zinc/65/38/84/534653884.db2.gz JSMZKGPRKISWET-LBPRGKRZSA-N 1 2 247.342 2.092 20 30 BEEDLO C=C[C@H](CO)Nc1cc[nH+]c2c(OC)cccc12 ZINC000357591197 534685533 /nfs/dbraw/zinc/68/55/33/534685533.db2.gz HHCAHAAROMKLGK-SNVBAGLBSA-N 1 2 244.294 2.202 20 30 BEEDLO C=C[C@H](CO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000357578505 534686542 /nfs/dbraw/zinc/68/65/42/534686542.db2.gz HAMSCGHXQBKEMM-LLVKDONJSA-N 1 2 232.258 2.333 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000336582909 534697743 /nfs/dbraw/zinc/69/77/43/534697743.db2.gz WCDJCXQDRUDYOS-JTQLQIEISA-N 1 2 209.318 2.079 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000336582909 534697749 /nfs/dbraw/zinc/69/77/49/534697749.db2.gz WCDJCXQDRUDYOS-JTQLQIEISA-N 1 2 209.318 2.079 20 30 BEEDLO CC(=O)Nc1cccc([C@H](C)[NH2+]CCC#N)c1 ZINC000020200113 534759801 /nfs/dbraw/zinc/75/98/01/534759801.db2.gz JSKBZVIQJQXFOV-JTQLQIEISA-N 1 2 231.299 2.209 20 30 BEEDLO C=CC[N@@H+](Cc1cn(C)nn1)Cc1ccccc1 ZINC000341584093 534841333 /nfs/dbraw/zinc/84/13/33/534841333.db2.gz LLGPXZAWSVANNW-UHFFFAOYSA-N 1 2 242.326 2.003 20 30 BEEDLO C=CC[N@H+](Cc1cn(C)nn1)Cc1ccccc1 ZINC000341584093 534841339 /nfs/dbraw/zinc/84/13/39/534841339.db2.gz LLGPXZAWSVANNW-UHFFFAOYSA-N 1 2 242.326 2.003 20 30 BEEDLO C=CC[N@H+]1CCOc2c(F)cccc2C1 ZINC000373828920 534848793 /nfs/dbraw/zinc/84/87/93/534848793.db2.gz MZFJSOCHJORXMG-UHFFFAOYSA-N 1 2 207.248 2.206 20 30 BEEDLO C=CC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000373828920 534848798 /nfs/dbraw/zinc/84/87/98/534848798.db2.gz MZFJSOCHJORXMG-UHFFFAOYSA-N 1 2 207.248 2.206 20 30 BEEDLO C=CCOCC[N@H+](CC(F)F)C(C)C ZINC000339022443 534876392 /nfs/dbraw/zinc/87/63/92/534876392.db2.gz GPSUPFLFAQMTSA-UHFFFAOYSA-N 1 2 207.264 2.165 20 30 BEEDLO C=CCOCC[N@@H+](CC(F)F)C(C)C ZINC000339022443 534876394 /nfs/dbraw/zinc/87/63/94/534876394.db2.gz GPSUPFLFAQMTSA-UHFFFAOYSA-N 1 2 207.264 2.165 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ccc(C(=O)OC)cc1F ZINC000491046236 526897185 /nfs/dbraw/zinc/89/71/85/526897185.db2.gz OXZBXXXQKPJCKN-UHFFFAOYSA-N 1 2 249.285 2.067 20 30 BEEDLO C#CC[N@H+](CC)Cc1ccc(C(=O)OC)cc1F ZINC000491046236 526897190 /nfs/dbraw/zinc/89/71/90/526897190.db2.gz OXZBXXXQKPJCKN-UHFFFAOYSA-N 1 2 249.285 2.067 20 30 BEEDLO C#CC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000309008253 527061716 /nfs/dbraw/zinc/06/17/16/527061716.db2.gz QUYNMLXIKZLELB-ZCFIWIBFSA-N 1 2 234.246 2.446 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000491771753 527332497 /nfs/dbraw/zinc/33/24/97/527332497.db2.gz PGKOOSAQJTYGKP-JTQLQIEISA-N 1 2 248.282 2.057 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000491771753 527332505 /nfs/dbraw/zinc/33/25/05/527332505.db2.gz PGKOOSAQJTYGKP-JTQLQIEISA-N 1 2 248.282 2.057 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494285954 527456873 /nfs/dbraw/zinc/45/68/73/527456873.db2.gz VGIHKSHNVWQBJR-GHMZBOCLSA-N 1 2 233.302 2.291 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494285954 527456877 /nfs/dbraw/zinc/45/68/77/527456877.db2.gz VGIHKSHNVWQBJR-GHMZBOCLSA-N 1 2 233.302 2.291 20 30 BEEDLO C=CC[N@@H+](C)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000492633802 527575558 /nfs/dbraw/zinc/57/55/58/527575558.db2.gz KTKLMLBECXZPHR-NSHDSACASA-N 1 2 240.347 2.319 20 30 BEEDLO C=CC[N@H+](C)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000492633802 527575563 /nfs/dbraw/zinc/57/55/63/527575563.db2.gz KTKLMLBECXZPHR-NSHDSACASA-N 1 2 240.347 2.319 20 30 BEEDLO CCC[N@H+](CC#N)[C@H]1C[C@H](OCC)C1(C)C ZINC000121077844 535275038 /nfs/dbraw/zinc/27/50/38/535275038.db2.gz MHNLRWBIQIKDSP-RYUDHWBXSA-N 1 2 224.348 2.426 20 30 BEEDLO CCC[N@@H+](CC#N)[C@H]1C[C@H](OCC)C1(C)C ZINC000121077844 535275043 /nfs/dbraw/zinc/27/50/43/535275043.db2.gz MHNLRWBIQIKDSP-RYUDHWBXSA-N 1 2 224.348 2.426 20 30 BEEDLO CC(C)Cn1cc(C[N@H+](C)C[C@H](C)C#N)cn1 ZINC000341195058 535350054 /nfs/dbraw/zinc/35/00/54/535350054.db2.gz VAFOSSXTIREYFP-GFCCVEGCSA-N 1 2 234.347 2.131 20 30 BEEDLO CC(C)Cn1cc(C[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000341195058 535350055 /nfs/dbraw/zinc/35/00/55/535350055.db2.gz VAFOSSXTIREYFP-GFCCVEGCSA-N 1 2 234.347 2.131 20 30 BEEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC1(C#N)CCC1 ZINC000336197394 535841789 /nfs/dbraw/zinc/84/17/89/535841789.db2.gz BZLHYQOSJYKOTQ-NWDGAFQWSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC1(C#N)CCC1 ZINC000336197394 535841797 /nfs/dbraw/zinc/84/17/97/535841797.db2.gz BZLHYQOSJYKOTQ-NWDGAFQWSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@@H]1C[C@H](C[NH+]2CC(C)(C#N)C2)CCO1 ZINC000335358387 535896958 /nfs/dbraw/zinc/89/69/58/535896958.db2.gz OTNQHXNVBJUOLH-VXGBXAGGSA-N 1 2 222.332 2.037 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cn(C)nc1C(F)F ZINC000291015283 536057986 /nfs/dbraw/zinc/05/79/86/536057986.db2.gz FSJJCKAMGWJTPL-SECBINFHSA-N 1 2 242.273 2.140 20 30 BEEDLO COc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)nc1 ZINC000338290834 536857316 /nfs/dbraw/zinc/85/73/16/536857316.db2.gz WCZVUGDKPHRDOL-NSHDSACASA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)nc1 ZINC000338290834 536857322 /nfs/dbraw/zinc/85/73/22/536857322.db2.gz WCZVUGDKPHRDOL-NSHDSACASA-N 1 2 245.326 2.214 20 30 BEEDLO C#CCCCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000892898335 583006802 /nfs/dbraw/zinc/00/68/02/583006802.db2.gz DKDHLKGTCJYTEF-LLVKDONJSA-N 1 2 218.300 2.350 20 30 BEEDLO CC[N@H+](CCC#N)CCC(=O)c1ccccc1 ZINC000165504066 583170509 /nfs/dbraw/zinc/17/05/09/583170509.db2.gz DXKSIASRDZMPEG-UHFFFAOYSA-N 1 2 230.311 2.495 20 30 BEEDLO CC[N@@H+](CCC#N)CCC(=O)c1ccccc1 ZINC000165504066 583170510 /nfs/dbraw/zinc/17/05/10/583170510.db2.gz DXKSIASRDZMPEG-UHFFFAOYSA-N 1 2 230.311 2.495 20 30 BEEDLO Cc1noc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N)n1 ZINC000893972616 583264469 /nfs/dbraw/zinc/26/44/69/583264469.db2.gz LAYDBPYJJJZGND-RKDXNWHRSA-N 1 2 236.319 2.357 20 30 BEEDLO Cc1[nH+]cc(C=NNCCC(C)(C)C)n1C ZINC000853332234 588734003 /nfs/dbraw/zinc/73/40/03/588734003.db2.gz HAQPCDAQHYODMN-UHFFFAOYSA-N 1 2 222.336 2.088 20 30 BEEDLO FC(F)(F)[C@H]1CCC[C@H](C=[NH+]n2ccnn2)C1 ZINC000853355106 588737461 /nfs/dbraw/zinc/73/74/61/588737461.db2.gz GTGBTQZEKTYTID-IUCAKERBSA-N 1 2 246.236 2.481 20 30 BEEDLO C[C@H]1CCCCN1N=Cc1c[nH+]c2n1CCC2 ZINC000853384795 588740245 /nfs/dbraw/zinc/74/02/45/588740245.db2.gz NQESMNXAYOVWLO-NSHDSACASA-N 1 2 232.331 2.038 20 30 BEEDLO N#CC[C@H]1CCC[N@@H+](Cn2cccnc2=S)C1 ZINC000853526433 588747903 /nfs/dbraw/zinc/74/79/03/588747903.db2.gz RQVLWZIXMVCKFB-LLVKDONJSA-N 1 2 248.355 2.196 20 30 BEEDLO N#CC[C@H]1CCC[N@H+](Cn2cccnc2=S)C1 ZINC000853526433 588747904 /nfs/dbraw/zinc/74/79/04/588747904.db2.gz RQVLWZIXMVCKFB-LLVKDONJSA-N 1 2 248.355 2.196 20 30 BEEDLO C=CCCNc1nc(C)[nH+]c(NCCC=C)n1 ZINC000853790395 588763591 /nfs/dbraw/zinc/76/35/91/588763591.db2.gz DMRMPFXMHGWUJA-UHFFFAOYSA-N 1 2 233.319 2.156 20 30 BEEDLO Cc1cc(NCC2(C#N)CCCCC2)nc(N)[nH+]1 ZINC000853876545 588767092 /nfs/dbraw/zinc/76/70/92/588767092.db2.gz IOYRFYWZSGUGCZ-UHFFFAOYSA-N 1 2 245.330 2.253 20 30 BEEDLO C=CC[N@@H+](Cc1ccccc1)CN1CCCC1=O ZINC000113239933 588827631 /nfs/dbraw/zinc/82/76/31/588827631.db2.gz BUMIVXKJTFISKQ-UHFFFAOYSA-N 1 2 244.338 2.255 20 30 BEEDLO C=CC[N@H+](Cc1ccccc1)CN1CCCC1=O ZINC000113239933 588827632 /nfs/dbraw/zinc/82/76/32/588827632.db2.gz BUMIVXKJTFISKQ-UHFFFAOYSA-N 1 2 244.338 2.255 20 30 BEEDLO C=CC[C@H]1CCN1C(=O)c1ccc(C)[nH+]c1NC ZINC000890548310 582470247 /nfs/dbraw/zinc/47/02/47/582470247.db2.gz PHLRVHBOVFQZBL-NSHDSACASA-N 1 2 245.326 2.222 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(OC)o1 ZINC000891578481 582698995 /nfs/dbraw/zinc/69/89/95/582698995.db2.gz LMQVYNCQDQTOTM-UHFFFAOYSA-N 1 2 208.261 2.024 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)o1 ZINC000891578481 582698996 /nfs/dbraw/zinc/69/89/96/582698996.db2.gz LMQVYNCQDQTOTM-UHFFFAOYSA-N 1 2 208.261 2.024 20 30 BEEDLO CC[N@H+](CCC#N)C[C@@H]1C[C@]1(C)Br ZINC000891578985 582699273 /nfs/dbraw/zinc/69/92/73/582699273.db2.gz RXUDFDRQHQMONW-UWVGGRQHSA-N 1 2 245.164 2.395 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@@H]1C[C@]1(C)Br ZINC000891578985 582699275 /nfs/dbraw/zinc/69/92/75/582699275.db2.gz RXUDFDRQHQMONW-UWVGGRQHSA-N 1 2 245.164 2.395 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnn(CC2CCC2)c1 ZINC000891579025 582699395 /nfs/dbraw/zinc/69/93/95/582699395.db2.gz SWQQMSWHXRWRSV-UHFFFAOYSA-N 1 2 246.358 2.419 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnn(CC2CCC2)c1 ZINC000891579025 582699396 /nfs/dbraw/zinc/69/93/96/582699396.db2.gz SWQQMSWHXRWRSV-UHFFFAOYSA-N 1 2 246.358 2.419 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1csc(C#N)c1 ZINC000891669867 582708623 /nfs/dbraw/zinc/70/86/23/582708623.db2.gz FVFPQXWALHVOQT-ZJUUUORDSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1csc(C#N)c1 ZINC000891669867 582708626 /nfs/dbraw/zinc/70/86/26/582708626.db2.gz FVFPQXWALHVOQT-ZJUUUORDSA-N 1 2 236.340 2.229 20 30 BEEDLO CC[N@@H+](Cc1cnn(C)c1C1CC1)C[C@H](C)C#N ZINC000891716343 582712996 /nfs/dbraw/zinc/71/29/96/582712996.db2.gz OSSGJEGPCBGLNX-LLVKDONJSA-N 1 2 246.358 2.279 20 30 BEEDLO CC[N@H+](Cc1cnn(C)c1C1CC1)C[C@H](C)C#N ZINC000891716343 582712997 /nfs/dbraw/zinc/71/29/97/582712997.db2.gz OSSGJEGPCBGLNX-LLVKDONJSA-N 1 2 246.358 2.279 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC000891933516 582739931 /nfs/dbraw/zinc/73/99/31/582739931.db2.gz IOYUGJSUCKBIIE-KXUCPTDWSA-N 1 2 245.164 2.394 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC000891933516 582739932 /nfs/dbraw/zinc/73/99/32/582739932.db2.gz IOYUGJSUCKBIIE-KXUCPTDWSA-N 1 2 245.164 2.394 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc2c1OCC2 ZINC000891934456 582740012 /nfs/dbraw/zinc/74/00/12/582740012.db2.gz TXOMSQGGKFDTGM-NSHDSACASA-N 1 2 230.311 2.355 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc2c1OCC2 ZINC000891934456 582740014 /nfs/dbraw/zinc/74/00/14/582740014.db2.gz TXOMSQGGKFDTGM-NSHDSACASA-N 1 2 230.311 2.355 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1csc(C#N)c1 ZINC000892048036 582772647 /nfs/dbraw/zinc/77/26/47/582772647.db2.gz GGYKKOYHHBRFJJ-ZJUUUORDSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1csc(C#N)c1 ZINC000892048036 582772648 /nfs/dbraw/zinc/77/26/48/582772648.db2.gz GGYKKOYHHBRFJJ-ZJUUUORDSA-N 1 2 236.340 2.229 20 30 BEEDLO C=CC1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892460056 582892158 /nfs/dbraw/zinc/89/21/58/582892158.db2.gz NDCNQKBGFBPLQL-UHFFFAOYSA-N 1 2 228.299 2.132 20 30 BEEDLO C#CCC[N@@H+](CCOC)Cc1ncc(C2CC2)o1 ZINC000852750731 583016943 /nfs/dbraw/zinc/01/69/43/583016943.db2.gz DDYKSSUHRFVFFJ-UHFFFAOYSA-N 1 2 248.326 2.024 20 30 BEEDLO C#CCC[N@H+](CCOC)Cc1ncc(C2CC2)o1 ZINC000852750731 583016946 /nfs/dbraw/zinc/01/69/46/583016946.db2.gz DDYKSSUHRFVFFJ-UHFFFAOYSA-N 1 2 248.326 2.024 20 30 BEEDLO Cc1ncc(CO)c(/C=[NH+]/CC2CC(C)C2)c1O ZINC000856718421 588875043 /nfs/dbraw/zinc/87/50/43/588875043.db2.gz LKTITVYOFFYRLQ-VIZOYTHASA-N 1 2 248.326 2.053 20 30 BEEDLO CCc1onc(C)c1C[NH2+]CC(C)(C)C#N ZINC000893552135 583162761 /nfs/dbraw/zinc/16/27/61/583162761.db2.gz QLPLYIBBTXVDHR-UHFFFAOYSA-N 1 2 221.304 2.185 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000893604886 583171962 /nfs/dbraw/zinc/17/19/62/583171962.db2.gz AWTMJWZJTXVHIO-SNVBAGLBSA-N 1 2 245.282 2.315 20 30 BEEDLO Cc1n[nH]c(C[N@@H+](CCC#N)C(C)C)c1C ZINC000893958438 583262778 /nfs/dbraw/zinc/26/27/78/583262778.db2.gz ANQXMFDGRKRMMR-UHFFFAOYSA-N 1 2 220.320 2.151 20 30 BEEDLO Cc1n[nH]c(C[N@H+](CCC#N)C(C)C)c1C ZINC000893958438 583262780 /nfs/dbraw/zinc/26/27/80/583262780.db2.gz ANQXMFDGRKRMMR-UHFFFAOYSA-N 1 2 220.320 2.151 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000893994355 583267118 /nfs/dbraw/zinc/26/71/18/583267118.db2.gz DQHQEHHGVNXTRM-QMMMGPOBSA-N 1 2 240.253 2.262 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000893994355 583267120 /nfs/dbraw/zinc/26/71/20/583267120.db2.gz DQHQEHHGVNXTRM-QMMMGPOBSA-N 1 2 240.253 2.262 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1c(Cl)n[nH]c1CC ZINC000894060847 583292856 /nfs/dbraw/zinc/29/28/56/583292856.db2.gz ZTNGGRMMSKNVIW-QMMMGPOBSA-N 1 2 225.723 2.079 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1c(Cl)n[nH]c1CC ZINC000894060847 583292859 /nfs/dbraw/zinc/29/28/59/583292859.db2.gz ZTNGGRMMSKNVIW-QMMMGPOBSA-N 1 2 225.723 2.079 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]\CC[C@H](C)OC)c1 ZINC000726430449 583354526 /nfs/dbraw/zinc/35/45/26/583354526.db2.gz ZKHARKSXUVSDDF-ADVUTCEVSA-N 1 2 237.299 2.245 20 30 BEEDLO CC(=[NH+]Nc1cc(C)ccn1)c1ccc(N)nc1 ZINC000814867745 583437058 /nfs/dbraw/zinc/43/70/58/583437058.db2.gz DJLTYSYYYMVJFZ-UHFFFAOYSA-N 1 2 241.298 2.203 20 30 BEEDLO C#C[C@H]1CCCN(c2cc(CC)[nH+]c(CC)n2)C1 ZINC000894425779 583455411 /nfs/dbraw/zinc/45/54/11/583455411.db2.gz RNHSCZIIFOJWFD-LBPRGKRZSA-N 1 2 243.354 2.451 20 30 BEEDLO CC(C)c1c[nH]c(C[NH2+]CC(C)(C)C#N)n1 ZINC000894453549 583462107 /nfs/dbraw/zinc/46/21/07/583462107.db2.gz HNGQTBDBXQQCFS-UHFFFAOYSA-N 1 2 220.320 2.172 20 30 BEEDLO CSc1ccc(C[NH2+]C[C@@H](C)C#N)o1 ZINC000894452656 583463353 /nfs/dbraw/zinc/46/33/53/583463353.db2.gz JFMIGOJSZAGCFE-QMMMGPOBSA-N 1 2 210.302 2.251 20 30 BEEDLO C[C@@H](O)c1cccc(N2CCC[C@@H](CC#N)C2)[nH+]1 ZINC000894487560 583471356 /nfs/dbraw/zinc/47/13/56/583471356.db2.gz UUUWHBQTNIVCHO-NEPJUHHUSA-N 1 2 245.326 2.265 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(NC)[nH+]cn1 ZINC000894609186 583492178 /nfs/dbraw/zinc/49/21/78/583492178.db2.gz CMLJDKYULVBDHJ-PHIMTYICSA-N 1 2 230.315 2.206 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(NC)nc[nH+]1 ZINC000894609186 583492179 /nfs/dbraw/zinc/49/21/79/583492179.db2.gz CMLJDKYULVBDHJ-PHIMTYICSA-N 1 2 230.315 2.206 20 30 BEEDLO N#Cc1cc(C[NH+]2CC3(CC3)C2)cs1 ZINC000894664399 583501899 /nfs/dbraw/zinc/50/18/99/583501899.db2.gz UUHABESLHFTRFL-UHFFFAOYSA-N 1 2 204.298 2.216 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)C(=O)OC ZINC000894985676 583564642 /nfs/dbraw/zinc/56/46/42/583564642.db2.gz MMKCRADKGDGQHJ-UPJWGTAASA-N 1 2 237.343 2.110 20 30 BEEDLO Cc1coc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000895336443 583653275 /nfs/dbraw/zinc/65/32/75/583653275.db2.gz WFVSHTWOEKYUEX-GFCCVEGCSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1coc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000895336443 583653276 /nfs/dbraw/zinc/65/32/76/583653276.db2.gz WFVSHTWOEKYUEX-GFCCVEGCSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1cc(F)ncc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000895450180 583676141 /nfs/dbraw/zinc/67/61/41/583676141.db2.gz BZPCQARWQBWEOH-CYBMUJFWSA-N 1 2 233.290 2.265 20 30 BEEDLO Cc1cc(F)ncc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000895450180 583676142 /nfs/dbraw/zinc/67/61/42/583676142.db2.gz BZPCQARWQBWEOH-CYBMUJFWSA-N 1 2 233.290 2.265 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cn3ccnc3s2)C1 ZINC000895450775 583676649 /nfs/dbraw/zinc/67/66/49/583676649.db2.gz NEIGTZLUILCGNZ-LBPRGKRZSA-N 1 2 246.339 2.131 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cn3ccnc3s2)C1 ZINC000895450775 583676650 /nfs/dbraw/zinc/67/66/50/583676650.db2.gz NEIGTZLUILCGNZ-LBPRGKRZSA-N 1 2 246.339 2.131 20 30 BEEDLO CCOc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)o1 ZINC000895450797 583676836 /nfs/dbraw/zinc/67/68/36/583676836.db2.gz NXCQBFUKXDRDHG-CYBMUJFWSA-N 1 2 234.299 2.414 20 30 BEEDLO CCOc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)o1 ZINC000895450797 583676839 /nfs/dbraw/zinc/67/68/39/583676839.db2.gz NXCQBFUKXDRDHG-CYBMUJFWSA-N 1 2 234.299 2.414 20 30 BEEDLO C[N@H+](Cc1ccns1)Cc1cccc(C#N)n1 ZINC000895452791 583677310 /nfs/dbraw/zinc/67/73/10/583677310.db2.gz XBYNVCRXBHSJTD-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C[N@@H+](Cc1ccns1)Cc1cccc(C#N)n1 ZINC000895452791 583677312 /nfs/dbraw/zinc/67/73/12/583677312.db2.gz XBYNVCRXBHSJTD-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO CCCCCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000857888968 588921121 /nfs/dbraw/zinc/92/11/21/588921121.db2.gz ACFCHCBDOMLCQT-GFCCVEGCSA-N 1 2 249.358 2.285 20 30 BEEDLO CN1CC[N@H+](Cc2cc(C#N)cs2)CC1(C)C ZINC000895565332 583693558 /nfs/dbraw/zinc/69/35/58/583693558.db2.gz YLGLCZTVYCABNN-UHFFFAOYSA-N 1 2 249.383 2.146 20 30 BEEDLO CN1CC[N@@H+](Cc2cc(C#N)cs2)CC1(C)C ZINC000895565332 583693560 /nfs/dbraw/zinc/69/35/60/583693560.db2.gz YLGLCZTVYCABNN-UHFFFAOYSA-N 1 2 249.383 2.146 20 30 BEEDLO C#CC[N@@H+](Cc1ccc(Cl)o1)C1CSC1 ZINC000895814312 583733735 /nfs/dbraw/zinc/73/37/35/583733735.db2.gz PYSHSQLVSRSNOK-UHFFFAOYSA-N 1 2 241.743 2.484 20 30 BEEDLO C#CC[N@H+](Cc1ccc(Cl)o1)C1CSC1 ZINC000895814312 583733736 /nfs/dbraw/zinc/73/37/36/583733736.db2.gz PYSHSQLVSRSNOK-UHFFFAOYSA-N 1 2 241.743 2.484 20 30 BEEDLO C[N@H+](CCCF)Cc1cc(C#N)cnc1Cl ZINC000895896078 583743579 /nfs/dbraw/zinc/74/35/79/583743579.db2.gz LETFGRXHHHUEBW-UHFFFAOYSA-N 1 2 241.697 2.398 20 30 BEEDLO C[N@@H+](CCCF)Cc1cc(C#N)cnc1Cl ZINC000895896078 583743581 /nfs/dbraw/zinc/74/35/81/583743581.db2.gz LETFGRXHHHUEBW-UHFFFAOYSA-N 1 2 241.697 2.398 20 30 BEEDLO C=CCC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979021 588927281 /nfs/dbraw/zinc/92/72/81/588927281.db2.gz SIUDTEWSDDGWEA-JTQLQIEISA-N 1 2 233.315 2.046 20 30 BEEDLO C=CCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857996948 588930212 /nfs/dbraw/zinc/93/02/12/588930212.db2.gz GMKXNOMKVNGUBQ-UHFFFAOYSA-N 1 2 231.299 2.115 20 30 BEEDLO C=C(C)CC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000840706758 583846920 /nfs/dbraw/zinc/84/69/20/583846920.db2.gz JTRHNTSIBPITSI-NTUHNPAUSA-N 1 2 221.256 2.189 20 30 BEEDLO Oc1cccc(/C=[NH+]\CCC[C@H]2CCOC2)c1O ZINC000840710982 583872778 /nfs/dbraw/zinc/87/27/78/583872778.db2.gz TVECIPUVFFIVRH-GPILYODUSA-N 1 2 249.310 2.333 20 30 BEEDLO CC#CC[N@H+](C)Cc1n[nH]c2ccccc21 ZINC000897165777 583886688 /nfs/dbraw/zinc/88/66/88/583886688.db2.gz BYCXHAUBZXIUCV-UHFFFAOYSA-N 1 2 213.284 2.018 20 30 BEEDLO CC#CC[N@@H+](C)Cc1n[nH]c2ccccc21 ZINC000897165777 583886691 /nfs/dbraw/zinc/88/66/91/583886691.db2.gz BYCXHAUBZXIUCV-UHFFFAOYSA-N 1 2 213.284 2.018 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc2c(s1)CCC2 ZINC000897167580 583887358 /nfs/dbraw/zinc/88/73/58/583887358.db2.gz MPLJKASQSUEZGK-UHFFFAOYSA-N 1 2 220.341 2.087 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc2c(s1)CCC2 ZINC000897167580 583887359 /nfs/dbraw/zinc/88/73/59/583887359.db2.gz MPLJKASQSUEZGK-UHFFFAOYSA-N 1 2 220.341 2.087 20 30 BEEDLO CC#CC[N@H+](C)Cc1c(C2CCC2)cnn1C ZINC000897169356 583888361 /nfs/dbraw/zinc/88/83/61/583888361.db2.gz OBDRYRHUAKEGRK-UHFFFAOYSA-N 1 2 231.343 2.143 20 30 BEEDLO CC#CC[N@@H+](C)Cc1c(C2CCC2)cnn1C ZINC000897169356 583888363 /nfs/dbraw/zinc/88/83/63/583888363.db2.gz OBDRYRHUAKEGRK-UHFFFAOYSA-N 1 2 231.343 2.143 20 30 BEEDLO C#CC[N@@H+](Cc1ccnc(OC)c1F)C(C)C ZINC000897171298 583889267 /nfs/dbraw/zinc/88/92/67/583889267.db2.gz VGJHMFATTBILMB-UHFFFAOYSA-N 1 2 236.290 2.073 20 30 BEEDLO C#CC[N@H+](Cc1ccnc(OC)c1F)C(C)C ZINC000897171298 583889268 /nfs/dbraw/zinc/88/92/68/583889268.db2.gz VGJHMFATTBILMB-UHFFFAOYSA-N 1 2 236.290 2.073 20 30 BEEDLO C#C[C@H]1CCCCN1c1ccc([C@H](C)O)c[nH+]1 ZINC000897360215 583938319 /nfs/dbraw/zinc/93/83/19/583938319.db2.gz AWJZHMBMXWTKHF-AAEUAGOBSA-N 1 2 230.311 2.127 20 30 BEEDLO C#C[C@@H]1CCCCN1c1ccc([C@H](C)O)c[nH+]1 ZINC000897360217 583938482 /nfs/dbraw/zinc/93/84/82/583938482.db2.gz AWJZHMBMXWTKHF-WCQYABFASA-N 1 2 230.311 2.127 20 30 BEEDLO C#CCCCCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000218083408 583943713 /nfs/dbraw/zinc/94/37/13/583943713.db2.gz WAUNKZCYOXZDGB-LLVKDONJSA-N 1 2 233.315 2.171 20 30 BEEDLO C#Cc1ccc(C[NH2+][C@H](CCC)C(=O)OC)cc1 ZINC000897834727 584052717 /nfs/dbraw/zinc/05/27/17/584052717.db2.gz YHGQWOUZRVOXLN-CQSZACIVSA-N 1 2 245.322 2.099 20 30 BEEDLO CCC[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(=O)OC ZINC000897835497 584053651 /nfs/dbraw/zinc/05/36/51/584053651.db2.gz KQUSMZAXLTUFCC-GRYCIOLGSA-N 1 2 238.331 2.000 20 30 BEEDLO C/C=C\C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866397613 584118373 /nfs/dbraw/zinc/11/83/73/584118373.db2.gz IUASXNSZISOSTL-XOULXFPDSA-N 1 2 216.284 2.491 20 30 BEEDLO Oc1ccc(/C=[NH+]\C[C@]23C[C@H]2CCC3)c(O)c1O ZINC000899226953 584182727 /nfs/dbraw/zinc/18/27/27/584182727.db2.gz BUVWFJZAIDKFRR-MKVDWAIRSA-N 1 2 247.294 2.413 20 30 BEEDLO C=CC[C@H](C)NC(=O)c1ccc(C)[nH+]c1NC ZINC000900742234 584348116 /nfs/dbraw/zinc/34/81/16/584348116.db2.gz OAVINMQSGNEIPV-VIFPVBQESA-N 1 2 233.315 2.126 20 30 BEEDLO CCSCCC=[NH+]n1nnc2c1CCCC2 ZINC000901331070 584425066 /nfs/dbraw/zinc/42/50/66/584425066.db2.gz IWIWWHCAUWCKFN-UHFFFAOYSA-N 1 2 238.360 2.134 20 30 BEEDLO CC(C)c1c[nH]c(C=CC(=O)c2nccn2C)[nH+]1 ZINC000901474833 584448383 /nfs/dbraw/zinc/44/83/83/584448383.db2.gz XOWVVDNVSILWNS-SNAWJCMRSA-N 1 2 244.298 2.163 20 30 BEEDLO CCn1cc(C(=O)/C=C\c2c[nH+]cn2CC)cn1 ZINC000901464464 584451448 /nfs/dbraw/zinc/45/14/48/584451448.db2.gz IURVVSNAUJGBLT-WAYWQWQTSA-N 1 2 244.298 2.016 20 30 BEEDLO CCn1c[nH+]cc1/C=C/C(=O)c1cc(C)on1 ZINC000901504049 584455224 /nfs/dbraw/zinc/45/52/24/584455224.db2.gz XJRYGZIRKFARNW-SNAWJCMRSA-N 1 2 231.255 2.096 20 30 BEEDLO CCc1onc(C)c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000901633873 584472872 /nfs/dbraw/zinc/47/28/72/584472872.db2.gz MPRDKXXXRNBBJA-LLVKDONJSA-N 1 2 246.314 2.079 20 30 BEEDLO C=C[C@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)C(=O)OC ZINC000901674052 584475608 /nfs/dbraw/zinc/47/56/08/584475608.db2.gz QMVMGEDMTLAYSO-UWVGGRQHSA-N 1 2 247.285 2.129 20 30 BEEDLO C=CC[N@@H+](Cc1ccccc1)CN1CCOC1=O ZINC000902051037 584517433 /nfs/dbraw/zinc/51/74/33/584517433.db2.gz ZESMVZYBYQLCLJ-UHFFFAOYSA-N 1 2 246.310 2.084 20 30 BEEDLO C=CC[N@H+](Cc1ccccc1)CN1CCOC1=O ZINC000902051037 584517434 /nfs/dbraw/zinc/51/74/34/584517434.db2.gz ZESMVZYBYQLCLJ-UHFFFAOYSA-N 1 2 246.310 2.084 20 30 BEEDLO Cn1c[nH+]cc1CNc1ccc(CCC#N)cc1 ZINC000902229098 584542032 /nfs/dbraw/zinc/54/20/32/584542032.db2.gz WBFWGZJDAKJKCG-UHFFFAOYSA-N 1 2 240.310 2.488 20 30 BEEDLO O=C1c2ccccc2OCC/C1=C/c1[nH]cc[nH+]1 ZINC000731159984 584922967 /nfs/dbraw/zinc/92/29/67/584922967.db2.gz ZUOATZCGOHAGGN-KTKRTIGZSA-N 1 2 240.262 2.459 20 30 BEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc2c(c1)CCO2 ZINC000731157674 584923029 /nfs/dbraw/zinc/92/30/29/584923029.db2.gz ZFPQGTBMBLLNAR-DUXPYHPUSA-N 1 2 240.262 2.241 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000731484247 584926604 /nfs/dbraw/zinc/92/66/04/584926604.db2.gz ILIUVYSETAIPSO-MRVPVSSYSA-N 1 2 237.234 2.126 20 30 BEEDLO C[C@@]1(C/[NH+]=C/c2ccccc2O)CCOC1 ZINC000733081135 584943019 /nfs/dbraw/zinc/94/30/19/584943019.db2.gz OOBLRRYCGVDLMM-JGWKKKPCSA-N 1 2 219.284 2.238 20 30 BEEDLO COc1cc[nH+]cc1COC(=O)C#CC(C)(C)C ZINC000838371888 585055179 /nfs/dbraw/zinc/05/51/79/585055179.db2.gz JTJZQEHHMGVFLW-UHFFFAOYSA-N 1 2 247.294 2.183 20 30 BEEDLO C=CC[N@@H+](Cc1cc(COC)on1)C(C)C ZINC000838795233 585068750 /nfs/dbraw/zinc/06/87/50/585068750.db2.gz XIFKZPWBMLURBW-UHFFFAOYSA-N 1 2 224.304 2.217 20 30 BEEDLO C=CC[N@H+](Cc1cc(COC)on1)C(C)C ZINC000838795233 585068751 /nfs/dbraw/zinc/06/87/51/585068751.db2.gz XIFKZPWBMLURBW-UHFFFAOYSA-N 1 2 224.304 2.217 20 30 BEEDLO C#CC[C@H]([NH2+]CC1CCCCCC1)C(=O)OC ZINC000839165761 585095013 /nfs/dbraw/zinc/09/50/13/585095013.db2.gz CWJGUDAQTZGLDD-ZDUSSCGKSA-N 1 2 237.343 2.111 20 30 BEEDLO C#CC[C@@H]([NH2+][C@H]1CCCCC1(C)C)C(=O)OC ZINC000839166830 585095339 /nfs/dbraw/zinc/09/53/39/585095339.db2.gz BGKNRCDEYAMFME-NEPJUHHUSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@H]([NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1)C(=O)OC ZINC000839167629 585095341 /nfs/dbraw/zinc/09/53/41/585095341.db2.gz HFGYSPOSJFPOHK-XBFCOCLRSA-N 1 2 249.354 2.133 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](C)CCCCC=C)C(=O)OC ZINC000839167605 585095459 /nfs/dbraw/zinc/09/54/59/585095459.db2.gz GQSMHRMZEGDONH-STQMWFEESA-N 1 2 237.343 2.276 20 30 BEEDLO C#CC[C@@H]([NH2+][C@@H](C)CCCCCC)C(=O)OC ZINC000839167649 585095506 /nfs/dbraw/zinc/09/55/06/585095506.db2.gz FWGOUIPKVNSBCD-QWHCGFSZSA-N 1 2 239.359 2.500 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](C)[C@H](C)CCCC)C(=O)OC ZINC000839168487 585095633 /nfs/dbraw/zinc/09/56/33/585095633.db2.gz MCUGOPKJGVHPBV-UPJWGTAASA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C(=O)OC ZINC000839170344 585096231 /nfs/dbraw/zinc/09/62/31/585096231.db2.gz ZVCJHYFADOHNKH-RDBSUJKOSA-N 1 2 249.354 2.110 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000839186613 585096911 /nfs/dbraw/zinc/09/69/11/585096911.db2.gz LXNLIEKFJCGCCL-OAHLLOKOSA-N 1 2 241.334 2.398 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccccc1C1CC1 ZINC000839186613 585096912 /nfs/dbraw/zinc/09/69/12/585096912.db2.gz LXNLIEKFJCGCCL-OAHLLOKOSA-N 1 2 241.334 2.398 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(C)c(C)c1 ZINC000839186352 585097062 /nfs/dbraw/zinc/09/70/62/585097062.db2.gz JATXLBPZBQBPCQ-OAHLLOKOSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000839186352 585097063 /nfs/dbraw/zinc/09/70/63/585097063.db2.gz JATXLBPZBQBPCQ-OAHLLOKOSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CCSc1ccccc1 ZINC000839196810 585098763 /nfs/dbraw/zinc/09/87/63/585098763.db2.gz PIVKWNAZOFBYTK-ZDUSSCGKSA-N 1 2 247.363 2.113 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CCSc1ccccc1 ZINC000839196810 585098764 /nfs/dbraw/zinc/09/87/64/585098764.db2.gz PIVKWNAZOFBYTK-ZDUSSCGKSA-N 1 2 247.363 2.113 20 30 BEEDLO C#CC[NH+](CC#C)[C@@H](C)c1ccccc1F ZINC000839501287 585105886 /nfs/dbraw/zinc/10/58/86/585105886.db2.gz VJALQWVCORYJQW-LBPRGKRZSA-N 1 2 215.271 2.455 20 30 BEEDLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)C#N)c1ccccc1 ZINC000741150535 585110773 /nfs/dbraw/zinc/11/07/73/585110773.db2.gz IFSCNTWEJNSPMO-AAEUAGOBSA-N 1 2 246.310 2.135 20 30 BEEDLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)C#N)c1ccccc1 ZINC000741150535 585110774 /nfs/dbraw/zinc/11/07/74/585110774.db2.gz IFSCNTWEJNSPMO-AAEUAGOBSA-N 1 2 246.310 2.135 20 30 BEEDLO Cc1ccccc1[C@@H](O)C[N@@H+](C)C[C@H](C)C#N ZINC000741785185 585117900 /nfs/dbraw/zinc/11/79/00/585117900.db2.gz WVNCBTZZAGBDRP-RISCZKNCSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1ccccc1[C@@H](O)C[N@H+](C)C[C@H](C)C#N ZINC000741785185 585117901 /nfs/dbraw/zinc/11/79/01/585117901.db2.gz WVNCBTZZAGBDRP-RISCZKNCSA-N 1 2 232.327 2.120 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ncc(C(C)C)o1 ZINC000746456916 585168453 /nfs/dbraw/zinc/16/84/53/585168453.db2.gz RVPPICNNTWWBKX-UHFFFAOYSA-N 1 2 206.289 2.253 20 30 BEEDLO C#CC[N@H+](CC)Cc1ncc(C(C)C)o1 ZINC000746456916 585168454 /nfs/dbraw/zinc/16/84/54/585168454.db2.gz RVPPICNNTWWBKX-UHFFFAOYSA-N 1 2 206.289 2.253 20 30 BEEDLO Oc1cccc(/C=[NH+]\CCc2nccs2)c1O ZINC000747614144 585181273 /nfs/dbraw/zinc/18/12/73/585181273.db2.gz GYLHWHFSJNRPAN-JYRVWZFOSA-N 1 2 248.307 2.216 20 30 BEEDLO CC(C)CON=Cc1cccc2[nH+]ccn21 ZINC000749631671 585204778 /nfs/dbraw/zinc/20/47/78/585204778.db2.gz NXAZHNDLDPECRG-UHFFFAOYSA-N 1 2 217.272 2.341 20 30 BEEDLO C#CCSCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000751227746 585226187 /nfs/dbraw/zinc/22/61/87/585226187.db2.gz KLMWYBJBKGUHSC-UHFFFAOYSA-N 1 2 246.339 2.045 20 30 BEEDLO C=CCCCOC(=O)CCc1ccc(N)[nH+]c1 ZINC000751441689 585230460 /nfs/dbraw/zinc/23/04/60/585230460.db2.gz GIPAPYOJXBMAKQ-UHFFFAOYSA-N 1 2 234.299 2.106 20 30 BEEDLO Cn1c[nH+]cc1CON=Cc1cccs1 ZINC000753118771 585253709 /nfs/dbraw/zinc/25/37/09/585253709.db2.gz URSJFMXCLAAYRX-UHFFFAOYSA-N 1 2 221.285 2.032 20 30 BEEDLO CC1CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000753934687 585272122 /nfs/dbraw/zinc/27/21/22/585272122.db2.gz JUTFBEBBFMXBQZ-OLPBLLBXSA-N 1 2 248.374 2.413 20 30 BEEDLO C1=CC[C@H](CN=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000753932921 585272252 /nfs/dbraw/zinc/27/22/52/585272252.db2.gz BNCHVUNSWPJCBW-AVGNSLFASA-N 1 2 246.358 2.189 20 30 BEEDLO CCC(CC)CN=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753936718 585272514 /nfs/dbraw/zinc/27/25/14/585272514.db2.gz VXXOTUYLTBNIJY-RYUDHWBXSA-N 1 2 236.363 2.268 20 30 BEEDLO C=CCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000754779217 585290636 /nfs/dbraw/zinc/29/06/36/585290636.db2.gz SHDOSQRLVPCNPI-UHFFFAOYSA-N 1 2 210.664 2.163 20 30 BEEDLO Cc1cccc(NN=Cc2c[nH+]cn2C)c1 ZINC000755465603 585300166 /nfs/dbraw/zinc/30/01/66/585300166.db2.gz NMAQJRJSDAAQED-UHFFFAOYSA-N 1 2 214.272 2.175 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNc1ccc(F)cc1 ZINC000755471162 585300237 /nfs/dbraw/zinc/30/02/37/585300237.db2.gz DLNVTUZQOQSTPM-UHFFFAOYSA-N 1 2 218.235 2.303 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NN[C@H](C)c1ccccc1 ZINC000755665277 585303645 /nfs/dbraw/zinc/30/36/45/585303645.db2.gz UJNAKFMURKJMMY-SNVBAGLBSA-N 1 2 228.299 2.403 20 30 BEEDLO C=CCNC(=S)Nc1ccc(C)[nH+]c1C ZINC000755733477 585304932 /nfs/dbraw/zinc/30/49/32/585304932.db2.gz SYYPKOULHYVEJN-UHFFFAOYSA-N 1 2 221.329 2.171 20 30 BEEDLO Cn1c[nH+]cc1CN=Nc1c(F)cccc1F ZINC000755734727 585305350 /nfs/dbraw/zinc/30/53/50/585305350.db2.gz ZPAYMRCVCSCRHC-UHFFFAOYSA-N 1 2 236.225 2.144 20 30 BEEDLO COc1cc(F)cc(NN=Cc2c[nH+]cn2C)c1 ZINC000755770068 585306714 /nfs/dbraw/zinc/30/67/14/585306714.db2.gz UQAFTYHMRNLNRL-UHFFFAOYSA-N 1 2 248.261 2.014 20 30 BEEDLO CCn1cc[nH+]c1CN=Nc1cc(C)ccn1 ZINC000755770016 585306744 /nfs/dbraw/zinc/30/67/44/585306744.db2.gz IXEDGEFBOGYSKJ-UHFFFAOYSA-N 1 2 229.287 2.052 20 30 BEEDLO C#CCC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000839633223 585332960 /nfs/dbraw/zinc/33/29/60/585332960.db2.gz OZVWVNYERUMTDH-UHFFFAOYSA-N 1 2 213.280 2.228 20 30 BEEDLO C#CCC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000839633223 585332961 /nfs/dbraw/zinc/33/29/61/585332961.db2.gz OZVWVNYERUMTDH-UHFFFAOYSA-N 1 2 213.280 2.228 20 30 BEEDLO C#CCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000758482556 585356206 /nfs/dbraw/zinc/35/62/06/585356206.db2.gz UJYHNZJTFCEVTQ-UHFFFAOYSA-N 1 2 227.267 2.076 20 30 BEEDLO NC(=[NH+]OC1CCCC1)c1ccc(F)cc1 ZINC000758764242 585359594 /nfs/dbraw/zinc/35/95/94/585359594.db2.gz NFKZTDNUNXJWGQ-UHFFFAOYSA-N 1 2 222.263 2.405 20 30 BEEDLO C#CCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000760351038 585390919 /nfs/dbraw/zinc/39/09/19/585390919.db2.gz MDRCRXSBOBPNHH-UHFFFAOYSA-N 1 2 236.702 2.404 20 30 BEEDLO COc1cc(F)ccc1NN=Cc1[nH+]c[nH]c1C ZINC000761889001 585422483 /nfs/dbraw/zinc/42/24/83/585422483.db2.gz ANNRRCUACMZGHS-UHFFFAOYSA-N 1 2 248.261 2.312 20 30 BEEDLO C#CCCCO[NH+]=C(N)c1ccccc1C ZINC000766740908 585507740 /nfs/dbraw/zinc/50/77/40/585507740.db2.gz HRCZOTIXNOGZKV-UHFFFAOYSA-N 1 2 216.284 2.255 20 30 BEEDLO C#C[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000767441218 585520315 /nfs/dbraw/zinc/52/03/15/585520315.db2.gz ZTOMABNKMQMNDE-JTQLQIEISA-N 1 2 229.327 2.122 20 30 BEEDLO CCO[NH+]=Cc1cnc(N(CC)CC)s1 ZINC000767468854 585520777 /nfs/dbraw/zinc/52/07/77/585520777.db2.gz GYHKHLTWWABUJW-UHFFFAOYSA-N 1 2 227.333 2.360 20 30 BEEDLO C=CCN(C(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000767914928 585527996 /nfs/dbraw/zinc/52/79/96/585527996.db2.gz NMYDPLALFJPKNX-UHFFFAOYSA-N 1 2 233.315 2.240 20 30 BEEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)c(C)o1 ZINC000768876058 585545187 /nfs/dbraw/zinc/54/51/87/585545187.db2.gz CAWDLGOSCOZWHX-VIFPVBQESA-N 1 2 206.289 2.488 20 30 BEEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)c(C)o1 ZINC000768876058 585545188 /nfs/dbraw/zinc/54/51/88/585545188.db2.gz CAWDLGOSCOZWHX-VIFPVBQESA-N 1 2 206.289 2.488 20 30 BEEDLO C=CCCCO[NH+]=C(N)COC(C)(C)C ZINC000768932670 585546172 /nfs/dbraw/zinc/54/61/72/585546172.db2.gz COLKSCUPFSQBGE-UHFFFAOYSA-N 1 2 214.309 2.266 20 30 BEEDLO C=C(C)CN(CC)C(=O)c1cccc2[nH+]ccn21 ZINC000770063690 585570563 /nfs/dbraw/zinc/57/05/63/585570563.db2.gz CISIQWVVTYWYKO-UHFFFAOYSA-N 1 2 243.310 2.373 20 30 BEEDLO C=CCN(C(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC000772895689 585626812 /nfs/dbraw/zinc/62/68/12/585626812.db2.gz LIUXEQQVQZWIIF-UHFFFAOYSA-N 1 2 241.294 2.125 20 30 BEEDLO CC(C)c1nccnc1N=NC(C)c1[nH]cc[nH+]1 ZINC000773078191 585630908 /nfs/dbraw/zinc/63/09/08/585630908.db2.gz MILIIKVCIVPXJD-UHFFFAOYSA-N 1 2 244.302 2.159 20 30 BEEDLO O=C1c2ccc(F)cc2O/C1=C/c1[nH]cc[nH+]1 ZINC000773170965 585633119 /nfs/dbraw/zinc/63/31/19/585633119.db2.gz GNHCSTQAPSQWTO-UXBLZVDNSA-N 1 2 230.198 2.165 20 30 BEEDLO Cc1ccc(CCC=NNCC(F)(F)F)c[nH+]1 ZINC000774414727 585658226 /nfs/dbraw/zinc/65/82/26/585658226.db2.gz RFDITHJZRXTKDR-UHFFFAOYSA-N 1 2 245.248 2.460 20 30 BEEDLO Cc1nonc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000775335618 585675784 /nfs/dbraw/zinc/67/57/84/585675784.db2.gz NHDXGOLJCXQTQF-SECBINFHSA-N 1 2 242.282 2.101 20 30 BEEDLO CCCC(CC)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000776187339 585692107 /nfs/dbraw/zinc/69/21/07/585692107.db2.gz DTCDJCQORXDJAB-RYUDHWBXSA-N 1 2 236.363 2.413 20 30 BEEDLO C#CC[C@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000776252596 585693985 /nfs/dbraw/zinc/69/39/85/585693985.db2.gz MXUKFDJSVVGYLA-ZDUSSCGKSA-N 1 2 243.335 2.392 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NOC1CCCCC1 ZINC000777458803 585713034 /nfs/dbraw/zinc/71/30/34/585713034.db2.gz JEVCUSDQXUXNTN-UHFFFAOYSA-N 1 2 207.277 2.401 20 30 BEEDLO Cc1[nH+]c[nH]c1CN=Nc1cc(Cl)ccn1 ZINC000777907210 585723719 /nfs/dbraw/zinc/72/37/19/585723719.db2.gz PKKQSNGDZBPVFU-UHFFFAOYSA-N 1 2 235.678 2.213 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1ccc(F)nc1)C1CC1 ZINC000779164407 585746078 /nfs/dbraw/zinc/74/60/78/585746078.db2.gz PUMUJUOYAGKECE-SNVBAGLBSA-N 1 2 233.290 2.345 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(F)nc1)C1CC1 ZINC000779164407 585746079 /nfs/dbraw/zinc/74/60/79/585746079.db2.gz PUMUJUOYAGKECE-SNVBAGLBSA-N 1 2 233.290 2.345 20 30 BEEDLO C=C(C)CNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000779445492 585755100 /nfs/dbraw/zinc/75/51/00/585755100.db2.gz ZTFQIRSEBJGHGK-UHFFFAOYSA-N 1 2 248.330 2.154 20 30 BEEDLO C=CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000780318818 585777795 /nfs/dbraw/zinc/77/77/95/585777795.db2.gz OZOOSYVTZBQIEE-JSGCOSHPSA-N 1 2 247.338 2.325 20 30 BEEDLO CC[N@@H+](Cc1ccnc(N(C)C)c1)C[C@@H](C)C#N ZINC000782173567 585809350 /nfs/dbraw/zinc/80/93/50/585809350.db2.gz CMPFZOFDUYXUGN-LBPRGKRZSA-N 1 2 246.358 2.129 20 30 BEEDLO CC[N@H+](Cc1ccnc(N(C)C)c1)C[C@@H](C)C#N ZINC000782173567 585809351 /nfs/dbraw/zinc/80/93/51/585809351.db2.gz CMPFZOFDUYXUGN-LBPRGKRZSA-N 1 2 246.358 2.129 20 30 BEEDLO C=CCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783175424 585828896 /nfs/dbraw/zinc/82/88/96/585828896.db2.gz YKRNDGPLEBVFMQ-UHFFFAOYSA-N 1 2 222.263 2.443 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/CC[C@@H]2CCOC2)c1 ZINC000783686032 585840090 /nfs/dbraw/zinc/84/00/90/585840090.db2.gz VLYIGZBBLNZGFC-BTAWCLGRSA-N 1 2 249.310 2.246 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]\CC[C@H]2CCOC2)c1 ZINC000783686034 585840174 /nfs/dbraw/zinc/84/01/74/585840174.db2.gz VLYIGZBBLNZGFC-GPILYODUSA-N 1 2 249.310 2.246 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]/CC[C@@H]1CCOC1 ZINC000783685993 585840185 /nfs/dbraw/zinc/84/01/85/585840185.db2.gz UBPPFSGZRVOUBT-BTAWCLGRSA-N 1 2 249.310 2.246 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000784758357 585865960 /nfs/dbraw/zinc/86/59/60/585865960.db2.gz ZXRNYOLUSPDFOG-GFCCVEGCSA-N 1 2 236.315 2.419 20 30 BEEDLO C=CCC[N@@H+](C)Cn1nc(C)n(CC)c1=S ZINC000786101684 585887355 /nfs/dbraw/zinc/88/73/55/585887355.db2.gz IPSQWDRXVIGZEC-UHFFFAOYSA-N 1 2 240.376 2.208 20 30 BEEDLO C=CCC[N@H+](C)Cn1nc(C)n(CC)c1=S ZINC000786101684 585887356 /nfs/dbraw/zinc/88/73/56/585887356.db2.gz IPSQWDRXVIGZEC-UHFFFAOYSA-N 1 2 240.376 2.208 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(OCC)c(F)c1 ZINC000787171319 585902652 /nfs/dbraw/zinc/90/26/52/585902652.db2.gz JRRGTOBKAFBWCY-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C#CCC)n1 ZINC000789332727 585939983 /nfs/dbraw/zinc/93/99/83/585939983.db2.gz WKRSOACIEBJFLL-AWEZNQCLSA-N 1 2 243.354 2.140 20 30 BEEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C#CCC)n1 ZINC000789332727 585939984 /nfs/dbraw/zinc/93/99/84/585939984.db2.gz WKRSOACIEBJFLL-AWEZNQCLSA-N 1 2 243.354 2.140 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1cc2ccccc2[nH]1 ZINC000790305257 585963255 /nfs/dbraw/zinc/96/32/55/585963255.db2.gz HBPHXJYASQTBDV-UHFFFAOYSA-N 1 2 239.282 2.347 20 30 BEEDLO C=CCC1(C(=O)OCCn2cc[nH+]c2)CCC1 ZINC000791564316 585984079 /nfs/dbraw/zinc/98/40/79/585984079.db2.gz HSQCIIMRBHWLKD-UHFFFAOYSA-N 1 2 234.299 2.173 20 30 BEEDLO CC(C[NH+]1Cc2ccccc2C1)N=NC1CC1 ZINC000792641870 586003585 /nfs/dbraw/zinc/00/35/85/586003585.db2.gz JUEWMKFJAKJXDL-UHFFFAOYSA-N 1 2 229.327 2.130 20 30 BEEDLO C[C@@]12CC[N@H+](CCC#N)C[C@@H]1C2(Cl)Cl ZINC000792903429 586006864 /nfs/dbraw/zinc/00/68/64/586006864.db2.gz KOOWJPXVLCCALI-DTWKUNHWSA-N 1 2 233.142 2.416 20 30 BEEDLO C[C@@]12CC[N@@H+](CCC#N)C[C@@H]1C2(Cl)Cl ZINC000792903429 586006865 /nfs/dbraw/zinc/00/68/65/586006865.db2.gz KOOWJPXVLCCALI-DTWKUNHWSA-N 1 2 233.142 2.416 20 30 BEEDLO CC(N=Nc1cccc(Cl)n1)c1[nH]cc[nH+]1 ZINC000793175477 586013095 /nfs/dbraw/zinc/01/30/95/586013095.db2.gz VHVRHRPCAFBNAJ-UHFFFAOYSA-N 1 2 235.678 2.294 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)c1ccccc1C ZINC000794733992 586047596 /nfs/dbraw/zinc/04/75/96/586047596.db2.gz JGXKJTWCOLVHSV-HNNXBMFYSA-N 1 2 244.338 2.430 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H](O)c1ccccc1C ZINC000794733992 586047597 /nfs/dbraw/zinc/04/75/97/586047597.db2.gz JGXKJTWCOLVHSV-HNNXBMFYSA-N 1 2 244.338 2.430 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCC(=O)C(C)(C)C ZINC000794744958 586047944 /nfs/dbraw/zinc/04/79/44/586047944.db2.gz LMWOSOYEPHFDNG-UHFFFAOYSA-N 1 2 222.332 2.393 20 30 BEEDLO C=CC[N@H+](CCC#N)CCC(=O)C(C)(C)C ZINC000794744958 586047945 /nfs/dbraw/zinc/04/79/45/586047945.db2.gz LMWOSOYEPHFDNG-UHFFFAOYSA-N 1 2 222.332 2.393 20 30 BEEDLO C=C(Cl)CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000794814645 586049485 /nfs/dbraw/zinc/04/94/85/586049485.db2.gz HIPHIHMLZZFIBW-LLVKDONJSA-N 1 2 248.717 2.236 20 30 BEEDLO C=CCNN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000794994155 586062691 /nfs/dbraw/zinc/06/26/91/586062691.db2.gz MLIDKUDOFZRWNT-UHFFFAOYSA-N 1 2 232.312 2.043 20 30 BEEDLO C=C(C)CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000795202656 586071651 /nfs/dbraw/zinc/07/16/51/586071651.db2.gz CLNAYRBCDRBASN-UHFFFAOYSA-N 1 2 222.263 2.429 20 30 BEEDLO C=C(C)C[N@H+](CCO)Cc1cccnc1Cl ZINC000796562320 586106760 /nfs/dbraw/zinc/10/67/60/586106760.db2.gz UCQBOMVFGCANNB-UHFFFAOYSA-N 1 2 240.734 2.105 20 30 BEEDLO C=C(C)C[N@@H+](CCO)Cc1cccnc1Cl ZINC000796562320 586106761 /nfs/dbraw/zinc/10/67/61/586106761.db2.gz UCQBOMVFGCANNB-UHFFFAOYSA-N 1 2 240.734 2.105 20 30 BEEDLO COc1ccc(C(=O)/C=C/c2cn(C)c[nH+]2)cc1 ZINC000798231940 586141223 /nfs/dbraw/zinc/14/12/23/586141223.db2.gz MHHUHGQRAKEFNY-VMPITWQZSA-N 1 2 242.278 2.325 20 30 BEEDLO Cn1c[nH+]c(/C=C2\COc3ccccc3C2=O)c1 ZINC000798230641 586141331 /nfs/dbraw/zinc/14/13/31/586141331.db2.gz ACVNIQDMUMUYGF-UXBLZVDNSA-N 1 2 240.262 2.079 20 30 BEEDLO N#CC1(C[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000798955375 586154008 /nfs/dbraw/zinc/15/40/08/586154008.db2.gz PFLDHRXSIOTQJP-GFCCVEGCSA-N 1 2 227.311 2.352 20 30 BEEDLO Cc1ncsc1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000800792548 586228332 /nfs/dbraw/zinc/22/83/32/586228332.db2.gz BAGCIZMWGNYDBH-ONEGZZNKSA-N 1 2 233.296 2.081 20 30 BEEDLO Cc1ccc(O)c(C(=O)/C=C/c2cn(C)c[nH+]2)c1 ZINC000800794653 586229333 /nfs/dbraw/zinc/22/93/33/586229333.db2.gz MLHBNMOVTOCUJU-GQCTYLIASA-N 1 2 242.278 2.330 20 30 BEEDLO CC#CC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000801173493 586245224 /nfs/dbraw/zinc/24/52/24/586245224.db2.gz VBKICRWQWCZFDC-UHFFFAOYSA-N 1 2 239.278 2.347 20 30 BEEDLO C[C@H](C#N)OCCSc1[nH+]cc2ccccn21 ZINC000801654206 586268019 /nfs/dbraw/zinc/26/80/19/586268019.db2.gz NFXZWWMMOQWMJF-SNVBAGLBSA-N 1 2 247.323 2.355 20 30 BEEDLO C=C(C)CCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000803346006 586346278 /nfs/dbraw/zinc/34/62/78/586346278.db2.gz LFFQYUZEFCAEFO-UHFFFAOYSA-N 1 2 230.267 2.457 20 30 BEEDLO CC(C)=CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000808247181 586468562 /nfs/dbraw/zinc/46/85/62/586468562.db2.gz VSENDKCUNUJQGW-UHFFFAOYSA-N 1 2 222.263 2.429 20 30 BEEDLO CC(=NOC/C=C\Cl)c1cn(C)c(C)[nH+]1 ZINC000811668793 586565227 /nfs/dbraw/zinc/56/52/27/586565227.db2.gz TWHNLUJTOURTIU-BHBKDRFFSA-N 1 2 227.695 2.222 20 30 BEEDLO C(=NOC1CCC1)c1cccc2[nH+]ccn21 ZINC000812237226 586571765 /nfs/dbraw/zinc/57/17/65/586571765.db2.gz QDROCVAQBFZWAF-UHFFFAOYSA-N 1 2 215.256 2.237 20 30 BEEDLO CCOCCC/[NH+]=C\c1c(O)cccc1OC ZINC000812391535 586575209 /nfs/dbraw/zinc/57/52/09/586575209.db2.gz JEPREXCLNIJOER-UVTDQMKNSA-N 1 2 237.299 2.246 20 30 BEEDLO COc1cc[nH+]cc1C/N=C/c1ccccc1O ZINC000814183520 586615941 /nfs/dbraw/zinc/61/59/41/586615941.db2.gz JWSIVNSHIRKJOU-LZYBPNLTSA-N 1 2 242.278 2.415 20 30 BEEDLO C(=NOCC1CC1)c1cccc2[nH+]ccn21 ZINC000814244120 586619889 /nfs/dbraw/zinc/61/98/89/586619889.db2.gz FHFZJULUCKQTMO-UHFFFAOYSA-N 1 2 215.256 2.095 20 30 BEEDLO CN(C)c1cc(C[N@H+](C)CC(C)(C)C#N)ccn1 ZINC000814669249 586628534 /nfs/dbraw/zinc/62/85/34/586628534.db2.gz NOTYGAQEAJEZGJ-UHFFFAOYSA-N 1 2 246.358 2.129 20 30 BEEDLO CN(C)c1cc(C[N@@H+](C)CC(C)(C)C#N)ccn1 ZINC000814669249 586628535 /nfs/dbraw/zinc/62/85/35/586628535.db2.gz NOTYGAQEAJEZGJ-UHFFFAOYSA-N 1 2 246.358 2.129 20 30 BEEDLO Cn1ncc(C=[NH+]Nc2ccccc2Cl)c1N ZINC000814690901 586629470 /nfs/dbraw/zinc/62/94/70/586629470.db2.gz DFESZEKRHZVBJF-UHFFFAOYSA-N 1 2 249.705 2.102 20 30 BEEDLO COCCON=C(C)c1ccc(C)[nH+]c1C ZINC000814864609 586636919 /nfs/dbraw/zinc/63/69/19/586636919.db2.gz FCUHQAJGFYSTIM-UHFFFAOYSA-N 1 2 222.288 2.085 20 30 BEEDLO Nc1ncc2c(n1)CCCC2=[NH+]OC1CCCC1 ZINC000814893806 586644845 /nfs/dbraw/zinc/64/48/45/586644845.db2.gz BWDSKGDBYOQASE-UHFFFAOYSA-N 1 2 246.314 2.058 20 30 BEEDLO COc1ccc(F)c(C=NNc2[nH+]ccn2C)c1 ZINC000814918611 586650481 /nfs/dbraw/zinc/65/04/81/586650481.db2.gz WXARYWUCWFDJDP-UHFFFAOYSA-N 1 2 248.261 2.014 20 30 BEEDLO C=CC[N@H+](Cc1cnn(C)c1Cl)C(C)C ZINC000816490032 586736992 /nfs/dbraw/zinc/73/69/92/586736992.db2.gz JUQKCDQDEFLVCL-UHFFFAOYSA-N 1 2 227.739 2.470 20 30 BEEDLO C=CC[N@@H+](Cc1cnn(C)c1Cl)C(C)C ZINC000816490032 586736993 /nfs/dbraw/zinc/73/69/93/586736993.db2.gz JUQKCDQDEFLVCL-UHFFFAOYSA-N 1 2 227.739 2.470 20 30 BEEDLO C=C(C)CNN=C1CCc2ccc[nH+]c2CC1 ZINC000817329339 586795484 /nfs/dbraw/zinc/79/54/84/586795484.db2.gz WOSBLPMCNGNDNI-UHFFFAOYSA-N 1 2 229.327 2.482 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819775803 586992491 /nfs/dbraw/zinc/99/24/91/586992491.db2.gz JLWMBFSBQLCSDX-BDAKNGLRSA-N 1 2 226.345 2.196 20 30 BEEDLO C=CCCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000822079197 587151546 /nfs/dbraw/zinc/15/15/46/587151546.db2.gz WZRIVIKWDFIOFS-UHFFFAOYSA-N 1 2 248.330 2.154 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1ccnc(Cl)c1F ZINC000824153385 587258608 /nfs/dbraw/zinc/25/86/08/587258608.db2.gz JQZNBIXFEWBRFU-ZETCQYMHSA-N 1 2 227.670 2.123 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000825430206 587319397 /nfs/dbraw/zinc/31/93/97/587319397.db2.gz UZXXPRSRSBOZET-UHFFFAOYSA-N 1 2 243.690 2.217 20 30 BEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000825514196 587322621 /nfs/dbraw/zinc/32/26/21/587322621.db2.gz YVMFZLUMOXBUEE-WDEREUQCSA-N 1 2 233.315 2.046 20 30 BEEDLO C#CC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000826574735 587355460 /nfs/dbraw/zinc/35/54/60/587355460.db2.gz ZAXKZIFXRUHTJK-LBPRGKRZSA-N 1 2 200.285 2.321 20 30 BEEDLO C=CCCC(C)(C)NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000826655266 587358111 /nfs/dbraw/zinc/35/81/11/587358111.db2.gz KGTRZOANQJYKJO-BQYQJAHWSA-N 1 2 247.342 2.294 20 30 BEEDLO C=CC(C)(C)CCNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000826997714 587367654 /nfs/dbraw/zinc/36/76/54/587367654.db2.gz MWJAZVXCUDJZIB-SREVYHEPSA-N 1 2 247.342 2.152 20 30 BEEDLO Cc1nsc(N[C@H]2CCn3cc[nH+]c32)c1C#N ZINC000828358262 587438109 /nfs/dbraw/zinc/43/81/09/587438109.db2.gz QGTWEKDJPABVPI-VIFPVBQESA-N 1 2 245.311 2.077 20 30 BEEDLO C=C(CC)C[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829162249 587485944 /nfs/dbraw/zinc/48/59/44/587485944.db2.gz GHMFEMOBAXEWCQ-UHFFFAOYSA-N 1 2 237.734 2.454 20 30 BEEDLO C=C(CC)C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829162249 587485946 /nfs/dbraw/zinc/48/59/46/587485946.db2.gz GHMFEMOBAXEWCQ-UHFFFAOYSA-N 1 2 237.734 2.454 20 30 BEEDLO Cc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)no1 ZINC000829489228 587500121 /nfs/dbraw/zinc/50/01/21/587500121.db2.gz VXYZZKSEVCZKJC-JTQLQIEISA-N 1 2 219.288 2.328 20 30 BEEDLO C#CC[C@@H]1CCC[N@@H+](Cc2noc(CCC)n2)C1 ZINC000829779360 587515147 /nfs/dbraw/zinc/51/51/47/587515147.db2.gz RRJJXCITDDXVIT-GFCCVEGCSA-N 1 2 247.342 2.257 20 30 BEEDLO C#CC[C@@H]1CCC[N@H+](Cc2noc(CCC)n2)C1 ZINC000829779360 587515148 /nfs/dbraw/zinc/51/51/48/587515148.db2.gz RRJJXCITDDXVIT-GFCCVEGCSA-N 1 2 247.342 2.257 20 30 BEEDLO C#CC[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000830356936 587547518 /nfs/dbraw/zinc/54/75/18/587547518.db2.gz JTFGPFJGGIIAMN-UHFFFAOYSA-N 1 2 223.678 2.470 20 30 BEEDLO C#CC[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000830356936 587547519 /nfs/dbraw/zinc/54/75/19/587547519.db2.gz JTFGPFJGGIIAMN-UHFFFAOYSA-N 1 2 223.678 2.470 20 30 BEEDLO C=C1CCC(CNC(=O)c2c[nH+]c(C)[nH]2)CC1 ZINC000831002091 587581813 /nfs/dbraw/zinc/58/18/13/587581813.db2.gz QGTIJLAAETZJSJ-UHFFFAOYSA-N 1 2 233.315 2.194 20 30 BEEDLO C=CC(C)(C)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000832718213 587679037 /nfs/dbraw/zinc/67/90/37/587679037.db2.gz CNONVIFSHNOETD-UHFFFAOYSA-N 1 2 249.358 2.451 20 30 BEEDLO FC1(F)CC1=C[NH2+]Nc1ccncc1Cl ZINC000834962142 587772936 /nfs/dbraw/zinc/77/29/36/587772936.db2.gz VDEDOGKIMBEWEQ-ZCFIWIBFSA-N 1 2 231.633 2.210 20 30 BEEDLO CN(C)c1[nH+]cccc1NC(=O)C#CC(C)(C)C ZINC000837359843 587869114 /nfs/dbraw/zinc/86/91/14/587869114.db2.gz JUUGRORBCYHZOP-UHFFFAOYSA-N 1 2 245.326 2.136 20 30 BEEDLO CC[C@H](NC(=O)C#CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000837538260 587880505 /nfs/dbraw/zinc/88/05/05/587880505.db2.gz OYGDCUZPBOGCOL-JTQLQIEISA-N 1 2 233.315 2.027 20 30 BEEDLO C[C@@H]1C[C@@H](NC(=O)C#CC(C)(C)C)c2[nH+]ccn21 ZINC000837689587 587890924 /nfs/dbraw/zinc/89/09/24/587890924.db2.gz WAXXTJHYQZXHDH-GHMZBOCLSA-N 1 2 245.326 2.055 20 30 BEEDLO CCO[C@H]1C[C@@H](/[NH+]=C\c2ccccc2O)C1 ZINC000840709056 587916993 /nfs/dbraw/zinc/91/69/93/587916993.db2.gz ARKXUIKOEAZLEJ-DBDGASDXSA-N 1 2 219.284 2.379 20 30 BEEDLO C[C@@H]1C[C@H](C/[NH+]=C/c2cccc(O)c2O)[C@H](C)O1 ZINC000840713330 587917748 /nfs/dbraw/zinc/91/77/48/587917748.db2.gz RDWCEKLBXLDFTO-WIVVUWNQSA-N 1 2 249.310 2.330 20 30 BEEDLO CC([NH2+]Nc1oc(C)nc1C#N)=C1CC1(F)F ZINC000841619613 587960586 /nfs/dbraw/zinc/96/05/86/587960586.db2.gz PWGQUDZNHZWISD-SSDOTTSWSA-N 1 2 240.213 2.298 20 30 BEEDLO CCn1c[nH+]cc1C=NNCc1cccc(C)c1 ZINC000841629608 587962131 /nfs/dbraw/zinc/96/21/31/587962131.db2.gz YGSYJGRZMVGFML-UHFFFAOYSA-N 1 2 242.326 2.335 20 30 BEEDLO CCn1c[nH+]cc1C=NN[C@H]1CCCC1(C)C ZINC000841636742 587964131 /nfs/dbraw/zinc/96/41/31/587964131.db2.gz XZJFIPKYTLWZTF-LBPRGKRZSA-N 1 2 234.347 2.405 20 30 BEEDLO C=C[C@@H](C)ON=C(C)c1cn(C)c(C)[nH+]1 ZINC000844625553 588210950 /nfs/dbraw/zinc/21/09/50/588210950.db2.gz NOOYPPVUBVEHRN-MRVPVSSYSA-N 1 2 207.277 2.044 20 30 BEEDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C#N ZINC000845496961 588230890 /nfs/dbraw/zinc/23/08/90/588230890.db2.gz QPVRRYCXPCCQSF-WDEREUQCSA-N 1 2 249.314 2.316 20 30 BEEDLO C=C[C@@H](CC)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845507290 588231433 /nfs/dbraw/zinc/23/14/33/588231433.db2.gz ZKKBOJTUPAGHFH-QWRGUYRKSA-N 1 2 222.288 2.342 20 30 BEEDLO C#CCC1(OC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC000845540427 588232661 /nfs/dbraw/zinc/23/26/61/588232661.db2.gz HYFCEKXCUQKAEV-LBPRGKRZSA-N 1 2 246.310 2.323 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(OC)cc1F ZINC000845911441 588250346 /nfs/dbraw/zinc/25/03/46/588250346.db2.gz REHCRYHHOXYWQZ-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OC)cc1F ZINC000845911441 588250347 /nfs/dbraw/zinc/25/03/47/588250347.db2.gz REHCRYHHOXYWQZ-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@]1(C)CC)C(=O)OC ZINC000845983902 588252598 /nfs/dbraw/zinc/25/25/98/588252598.db2.gz XJKAJQWTKNKECR-OBJOEFQTSA-N 1 2 237.343 2.110 20 30 BEEDLO COCC1(C/[NH+]=C\c2ccccc2O)CC1 ZINC000846757202 588286209 /nfs/dbraw/zinc/28/62/09/588286209.db2.gz VODKMYKLBQRKDL-ZSOIEALJSA-N 1 2 219.284 2.238 20 30 BEEDLO C=CC[N@H+](Cc1cc(C(C)=O)no1)C(C)C ZINC000846775954 588287759 /nfs/dbraw/zinc/28/77/59/588287759.db2.gz GXENXCKCIGMVOV-UHFFFAOYSA-N 1 2 222.288 2.274 20 30 BEEDLO C=CC[N@@H+](Cc1cc(C(C)=O)no1)C(C)C ZINC000846775954 588287760 /nfs/dbraw/zinc/28/77/60/588287760.db2.gz GXENXCKCIGMVOV-UHFFFAOYSA-N 1 2 222.288 2.274 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)CC1(Br)CC1 ZINC000846794035 588288410 /nfs/dbraw/zinc/28/84/10/588288410.db2.gz QFHAMJPQDHIEOG-MRVPVSSYSA-N 1 2 231.137 2.005 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)CC1(Br)CC1 ZINC000846794035 588288411 /nfs/dbraw/zinc/28/84/11/588288411.db2.gz QFHAMJPQDHIEOG-MRVPVSSYSA-N 1 2 231.137 2.005 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2noc(CCCC)n2)C1 ZINC000847022243 588302893 /nfs/dbraw/zinc/30/28/93/588302893.db2.gz GKHKZHFLVGNOGJ-LBPRGKRZSA-N 1 2 247.342 2.257 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2noc(CCCC)n2)C1 ZINC000847022243 588302894 /nfs/dbraw/zinc/30/28/94/588302894.db2.gz GKHKZHFLVGNOGJ-LBPRGKRZSA-N 1 2 247.342 2.257 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000847022253 588303052 /nfs/dbraw/zinc/30/30/52/588303052.db2.gz GMHYQKLILOHKSW-SNVBAGLBSA-N 1 2 239.269 2.123 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000847022253 588303053 /nfs/dbraw/zinc/30/30/53/588303053.db2.gz GMHYQKLILOHKSW-SNVBAGLBSA-N 1 2 239.269 2.123 20 30 BEEDLO c1cn(CCCNN=C2CC[C@H]2C2CCC2)c[nH+]1 ZINC000848416619 588381300 /nfs/dbraw/zinc/38/13/00/588381300.db2.gz RPLKPAJIKFWXGK-ZDUSSCGKSA-N 1 2 246.358 2.429 20 30 BEEDLO CC(CCCCC#N)=NNCCCn1cc[nH+]c1 ZINC000848416273 588381437 /nfs/dbraw/zinc/38/14/37/588381437.db2.gz FMUPJCDBOZFSQG-UHFFFAOYSA-N 1 2 247.346 2.323 20 30 BEEDLO c1cn(CCCNN=C2CCC23CCC3)c[nH+]1 ZINC000848417213 588381539 /nfs/dbraw/zinc/38/15/39/588381539.db2.gz PMFMWWMSHZIEQO-UHFFFAOYSA-N 1 2 232.331 2.183 20 30 BEEDLO CCC(=NNCCCn1cc[nH+]c1)[C@@H]1C[C@@H]1C ZINC000848416606 588381562 /nfs/dbraw/zinc/38/15/62/588381562.db2.gz QYRHMTQBDFLWNK-NWDGAFQWSA-N 1 2 234.347 2.285 20 30 BEEDLO CC(=NNCCCn1cc[nH+]c1)C1CCCC1 ZINC000848418202 588382213 /nfs/dbraw/zinc/38/22/13/588382213.db2.gz LBMNIZAVSTWKST-UHFFFAOYSA-N 1 2 234.347 2.429 20 30 BEEDLO CC(CC1CCC1)N=NCCCn1cc[nH+]c1 ZINC000848418853 588382467 /nfs/dbraw/zinc/38/24/67/588382467.db2.gz QDZUBTKNTPGCJZ-UHFFFAOYSA-N 1 2 234.347 2.429 20 30 BEEDLO C#CCCCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000848669401 588404508 /nfs/dbraw/zinc/40/45/08/588404508.db2.gz FDRNMHVRTGXVDJ-UHFFFAOYSA-N 1 2 245.326 2.496 20 30 BEEDLO C#CCCCCNc1nc[nH+]c(C)c1OC ZINC000848673245 588404521 /nfs/dbraw/zinc/40/45/21/588404521.db2.gz YTAFFPXVWVSOLV-UHFFFAOYSA-N 1 2 219.288 2.009 20 30 BEEDLO CC#CCCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848781869 588413688 /nfs/dbraw/zinc/41/36/88/588413688.db2.gz BFYDZSQXPDJKKR-UHFFFAOYSA-N 1 2 242.278 2.213 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cnc(Cl)n1C ZINC000848877856 588416130 /nfs/dbraw/zinc/41/61/30/588416130.db2.gz UWZWPAKSPIKBEU-UHFFFAOYSA-N 1 2 225.723 2.248 20 30 BEEDLO C=C1CC[NH+](Cc2cnc(Cl)n2C)CC1 ZINC000848885708 588417363 /nfs/dbraw/zinc/41/73/63/588417363.db2.gz MRPSZYOXZZOOEV-UHFFFAOYSA-N 1 2 225.723 2.226 20 30 BEEDLO CCO[C@H]1C[C@H](/[NH+]=C\c2ccccc2O)C1 ZINC000849169287 588459365 /nfs/dbraw/zinc/45/93/65/588459365.db2.gz ARKXUIKOEAZLEJ-QLPWZSTISA-N 1 2 219.284 2.379 20 30 BEEDLO C=CC[N@H+](CC=C(C)C)CC(=O)OCC ZINC000110054677 588609726 /nfs/dbraw/zinc/60/97/26/588609726.db2.gz SPSCJXDSQSSLQG-UHFFFAOYSA-N 1 2 211.305 2.004 20 30 BEEDLO C=CC[N@@H+](CC=C(C)C)CC(=O)OCC ZINC000110054677 588609727 /nfs/dbraw/zinc/60/97/27/588609727.db2.gz SPSCJXDSQSSLQG-UHFFFAOYSA-N 1 2 211.305 2.004 20 30 BEEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)C)nc(C)n1 ZINC000851777792 588626728 /nfs/dbraw/zinc/62/67/28/588626728.db2.gz BZBVRMOASMDUPG-UHFFFAOYSA-N 1 2 246.358 2.465 20 30 BEEDLO Cc1cc(C[N@H+](CCC#N)CC(C)C)nc(C)n1 ZINC000851777792 588626729 /nfs/dbraw/zinc/62/67/29/588626729.db2.gz BZBVRMOASMDUPG-UHFFFAOYSA-N 1 2 246.358 2.465 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(CCCC)no1 ZINC000852096661 588661923 /nfs/dbraw/zinc/66/19/23/588661923.db2.gz FAYHLARGAIFBFW-CYBMUJFWSA-N 1 2 235.331 2.304 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2ccco2)no1 ZINC000852097708 588662508 /nfs/dbraw/zinc/66/25/08/588662508.db2.gz UYLGTTORGFZSBY-ZDUSSCGKSA-N 1 2 245.282 2.221 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC000852100404 588662905 /nfs/dbraw/zinc/66/29/05/588662905.db2.gz XEFMPBFXYHRPGO-ZANVPECISA-N 1 2 233.315 2.400 20 30 BEEDLO C=CC[N@H+](Cc1cscn1)[C@H](C)COC ZINC000852358363 588679173 /nfs/dbraw/zinc/67/91/73/588679173.db2.gz RBJQLGUEDJWZHJ-SNVBAGLBSA-N 1 2 226.345 2.166 20 30 BEEDLO C=CC[N@@H+](Cc1cscn1)[C@H](C)COC ZINC000852358363 588679174 /nfs/dbraw/zinc/67/91/74/588679174.db2.gz RBJQLGUEDJWZHJ-SNVBAGLBSA-N 1 2 226.345 2.166 20 30 BEEDLO CC(C)CC(=O)CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000852684078 588695326 /nfs/dbraw/zinc/69/53/26/588695326.db2.gz AWAINZPXJBVCDR-CYBMUJFWSA-N 1 2 222.332 2.227 20 30 BEEDLO CC(C)CC(=O)CC[N@H+]1CC[C@](C)(C#N)C1 ZINC000852684078 588695327 /nfs/dbraw/zinc/69/53/27/588695327.db2.gz AWAINZPXJBVCDR-CYBMUJFWSA-N 1 2 222.332 2.227 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000852685429 588695854 /nfs/dbraw/zinc/69/58/54/588695854.db2.gz VONLMUZGDYMJDE-AWEZNQCLSA-N 1 2 248.301 2.440 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000852685429 588695855 /nfs/dbraw/zinc/69/58/55/588695855.db2.gz VONLMUZGDYMJDE-AWEZNQCLSA-N 1 2 248.301 2.440 20 30 BEEDLO CN(C)c1c(F)c(F)ccc1C[NH2+]CCC#N ZINC000862349697 589201711 /nfs/dbraw/zinc/20/17/11/589201711.db2.gz MIVGCWUKWBIIHK-UHFFFAOYSA-N 1 2 239.269 2.034 20 30 BEEDLO CCCCCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000862358893 589203646 /nfs/dbraw/zinc/20/36/46/589203646.db2.gz AFWZHKCGXPFNBP-UHFFFAOYSA-N 1 2 223.320 2.418 20 30 BEEDLO CCO[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863077348 589254788 /nfs/dbraw/zinc/25/47/88/589254788.db2.gz OXENZOBVNBAHDW-UHFFFAOYSA-N 1 2 228.242 2.401 20 30 BEEDLO c1cnn([NH+]=C2CCC[C@@H]2c2ccccn2)c1 ZINC000863163994 589266669 /nfs/dbraw/zinc/26/66/69/589266669.db2.gz VXIIOYWLWDNWRI-LLVKDONJSA-N 1 2 226.283 2.450 20 30 BEEDLO CC(CN1Cc2ccccc2C1)=[NH+]n1cccn1 ZINC000863164669 589266877 /nfs/dbraw/zinc/26/68/77/589266877.db2.gz RZQBAMSEPGJOBK-UHFFFAOYSA-N 1 2 240.310 2.123 20 30 BEEDLO CC(C[NH+]1Cc2ccccc2C1)=Nn1cccn1 ZINC000863164669 589266879 /nfs/dbraw/zinc/26/68/79/589266879.db2.gz RZQBAMSEPGJOBK-UHFFFAOYSA-N 1 2 240.310 2.123 20 30 BEEDLO C=C(CC)CO[NH+]=C(N)C1(OC)CCCC1 ZINC000863478832 589292172 /nfs/dbraw/zinc/29/21/72/589292172.db2.gz XIHRXVGVULGUBQ-UHFFFAOYSA-N 1 2 226.320 2.410 20 30 BEEDLO C=C(Cl)CO[NH+]=C(N)C1(OC)CCCC1 ZINC000863477695 589292275 /nfs/dbraw/zinc/29/22/75/589292275.db2.gz TTZSKFLAIFREPN-UHFFFAOYSA-N 1 2 232.711 2.197 20 30 BEEDLO C=CCOCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376346 589428422 /nfs/dbraw/zinc/42/84/22/589428422.db2.gz JZLANBQQMHATIB-UHFFFAOYSA-N 1 2 208.305 2.383 20 30 BEEDLO C#CCNc1[nH+]cc(C(F)(F)F)cc1C ZINC000865411073 589434093 /nfs/dbraw/zinc/43/40/93/589434093.db2.gz SAIYUDQTLPZUGW-UHFFFAOYSA-N 1 2 214.190 2.454 20 30 BEEDLO C[C@@H](C#N)CNc1cc[nH+]cc1C(F)(F)F ZINC000865568347 589447464 /nfs/dbraw/zinc/44/74/64/589447464.db2.gz MTFCUXSDUOFWQC-ZETCQYMHSA-N 1 2 229.205 2.094 20 30 BEEDLO C[C@H](O)c1ccc(N2CCC(C)(C#N)CC2)[nH+]c1 ZINC000865666264 589455116 /nfs/dbraw/zinc/45/51/16/589455116.db2.gz LNESQTVKVNOOKM-NSHDSACASA-N 1 2 245.326 2.265 20 30 BEEDLO C[C@@H](O)c1ccc(N2CCC(C)(C#N)CC2)[nH+]c1 ZINC000865666263 589455138 /nfs/dbraw/zinc/45/51/38/589455138.db2.gz LNESQTVKVNOOKM-LLVKDONJSA-N 1 2 245.326 2.265 20 30 BEEDLO CC1(C#N)CN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000865750023 589460646 /nfs/dbraw/zinc/46/06/46/589460646.db2.gz KRHVPRSEQAZVFQ-UHFFFAOYSA-N 1 2 241.216 2.450 20 30 BEEDLO C#CC1CCN(c2cc(NCCC)[nH+]cn2)CC1 ZINC000865900293 589467626 /nfs/dbraw/zinc/46/76/26/589467626.db2.gz JBMYUXPBYWDSBA-UHFFFAOYSA-N 1 2 244.342 2.148 20 30 BEEDLO C#CC1CCN(c2cc(NCCC)nc[nH+]2)CC1 ZINC000865900293 589467627 /nfs/dbraw/zinc/46/76/27/589467627.db2.gz JBMYUXPBYWDSBA-UHFFFAOYSA-N 1 2 244.342 2.148 20 30 BEEDLO C[C@H](O)c1ccc(N2CCC[C@@H](CC#N)C2)[nH+]c1 ZINC000865932533 589469168 /nfs/dbraw/zinc/46/91/68/589469168.db2.gz WDAKZSVNFKCTRL-RYUDHWBXSA-N 1 2 245.326 2.265 20 30 BEEDLO C#CC[C@@H](COC)Nc1cc(CCCC)[nH+]cn1 ZINC000865977934 589471109 /nfs/dbraw/zinc/47/11/09/589471109.db2.gz WGSZGRGVMAPUKS-ZDUSSCGKSA-N 1 2 247.342 2.269 20 30 BEEDLO COC[C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866243352 589482541 /nfs/dbraw/zinc/48/25/41/589482541.db2.gz YLYPHQFGSZXBOK-GHMZBOCLSA-N 1 2 248.326 2.197 20 30 BEEDLO COCC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866253435 589483325 /nfs/dbraw/zinc/48/33/25/589483325.db2.gz ZABHOFPGGJCGAB-GHMZBOCLSA-N 1 2 248.326 2.339 20 30 BEEDLO CCC[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866266103 589483691 /nfs/dbraw/zinc/48/36/91/589483691.db2.gz WUMMAZQKTVKHHM-JQWIXIFHSA-N 1 2 248.326 2.075 20 30 BEEDLO CC[C@@H](O)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866287875 589484248 /nfs/dbraw/zinc/48/42/48/589484248.db2.gz RLRSZQSDNFUNRT-ZYHUDNBSSA-N 1 2 248.326 2.075 20 30 BEEDLO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866283669 589484429 /nfs/dbraw/zinc/48/44/29/589484429.db2.gz ZDRDMZHYBMLJIQ-UWVGGRQHSA-N 1 2 216.284 2.489 20 30 BEEDLO CCOC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866344545 589487139 /nfs/dbraw/zinc/48/71/39/589487139.db2.gz YKVKGESDYLCLHD-WDEREUQCSA-N 1 2 248.326 2.339 20 30 BEEDLO C[C@H]([NH2+]CCC(C)(C)O)c1cccc(C#N)c1O ZINC000866343740 589487227 /nfs/dbraw/zinc/48/72/27/589487227.db2.gz PFPKGTLMZPQOMX-JTQLQIEISA-N 1 2 248.326 2.075 20 30 BEEDLO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866345611 589487314 /nfs/dbraw/zinc/48/73/14/589487314.db2.gz QXDJLDFVKIRRRI-GARJFASQSA-N 1 2 248.326 2.338 20 30 BEEDLO C=CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866387206 589489262 /nfs/dbraw/zinc/48/92/62/589489262.db2.gz QAZGMCMEUTXGSS-JTQLQIEISA-N 1 2 216.284 2.491 20 30 BEEDLO C=C[C@@H]([NH2+]CCC[C@@H]1C=CCC1)C(=O)OC ZINC000871931787 589834398 /nfs/dbraw/zinc/83/43/98/589834398.db2.gz KVQWKRYJNNSCFL-VXGBXAGGSA-N 1 2 223.316 2.050 20 30 BEEDLO FC(F)(F)C(F)(F)C=NNc1cc[nH+]cc1 ZINC000872363679 589919779 /nfs/dbraw/zinc/91/97/79/589919779.db2.gz MFVLIOYEUVHDAK-UHFFFAOYSA-N 1 2 239.147 2.099 20 30 BEEDLO Cc1cccnc1N=NCc1cn(C2CC2)c[nH+]1 ZINC000872368785 589922424 /nfs/dbraw/zinc/92/24/24/589922424.db2.gz PPPCWFDAKHTYAH-UHFFFAOYSA-N 1 2 241.298 2.367 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(F)c(F)c1O ZINC000876563265 590216578 /nfs/dbraw/zinc/21/65/78/590216578.db2.gz BOJYOXKKNOZNKD-UHFFFAOYSA-N 1 2 240.253 2.406 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(F)c(F)c1O ZINC000876563265 590216579 /nfs/dbraw/zinc/21/65/79/590216579.db2.gz BOJYOXKKNOZNKD-UHFFFAOYSA-N 1 2 240.253 2.406 20 30 BEEDLO C#CC[N@@H+](CC)Cc1c(OC)cccc1OC ZINC000876639469 590224900 /nfs/dbraw/zinc/22/49/00/590224900.db2.gz QFSMASNLSACXAQ-UHFFFAOYSA-N 1 2 233.311 2.159 20 30 BEEDLO C#CC[N@H+](CC)Cc1c(OC)cccc1OC ZINC000876639469 590224901 /nfs/dbraw/zinc/22/49/01/590224901.db2.gz QFSMASNLSACXAQ-UHFFFAOYSA-N 1 2 233.311 2.159 20 30 BEEDLO C=C1CC[NH+](Cc2ccc(Cl)nn2)CC1 ZINC000876695452 590231408 /nfs/dbraw/zinc/23/14/08/590231408.db2.gz ZTDCKZGRWQEVKM-UHFFFAOYSA-N 1 2 223.707 2.282 20 30 BEEDLO CCOc1cccc(F)c1C[NH2+]C[C@H](C)C#N ZINC000877321483 590316421 /nfs/dbraw/zinc/31/64/21/590316421.db2.gz MDHOONFWPRYJIF-SNVBAGLBSA-N 1 2 236.290 2.474 20 30 BEEDLO N#CCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000877482755 590337913 /nfs/dbraw/zinc/33/79/13/590337913.db2.gz FXQVAJKIJNPIEV-UHFFFAOYSA-N 1 2 211.215 2.022 20 30 BEEDLO C=C(Cl)C[C@@H]([NH2+]C(C)C)C(=O)OCC ZINC000877672133 590389717 /nfs/dbraw/zinc/38/97/17/590389717.db2.gz WYXJGPQCZBVNIP-SECBINFHSA-N 1 2 219.712 2.059 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1cccs1 ZINC000877932685 590451310 /nfs/dbraw/zinc/45/13/10/590451310.db2.gz VYHMONDSKHKCNI-NSHDSACASA-N 1 2 239.340 2.298 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1cccs1 ZINC000877932685 590451311 /nfs/dbraw/zinc/45/13/11/590451311.db2.gz VYHMONDSKHKCNI-NSHDSACASA-N 1 2 239.340 2.298 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[NH+]1Cc2ccccc2C1 ZINC000878079045 590487835 /nfs/dbraw/zinc/48/78/35/590487835.db2.gz QQYLUGCQGSXATC-ZDUSSCGKSA-N 1 2 231.295 2.120 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC000878167101 590514171 /nfs/dbraw/zinc/51/41/71/590514171.db2.gz NRRUEMRYJXOTOA-UHFFFAOYSA-N 1 2 218.300 2.009 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc2c(o1)CCCC2 ZINC000878167101 590514172 /nfs/dbraw/zinc/51/41/72/590514172.db2.gz NRRUEMRYJXOTOA-UHFFFAOYSA-N 1 2 218.300 2.009 20 30 BEEDLO C=CC[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)OC ZINC000878345045 590553288 /nfs/dbraw/zinc/55/32/88/590553288.db2.gz KZXYLIZYECEKGI-WCQYABFASA-N 1 2 233.311 2.455 20 30 BEEDLO C#CC[N@@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878502131 590582175 /nfs/dbraw/zinc/58/21/75/590582175.db2.gz WMNXXEYRXRAHER-UHFFFAOYSA-N 1 2 232.327 2.255 20 30 BEEDLO C#CC[N@H+](C)Cc1noc2c1CC(C)(C)CC2 ZINC000878502131 590582177 /nfs/dbraw/zinc/58/21/77/590582177.db2.gz WMNXXEYRXRAHER-UHFFFAOYSA-N 1 2 232.327 2.255 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878639196 590599102 /nfs/dbraw/zinc/59/91/02/590599102.db2.gz CWVXHQLMRGFLGE-RDBSUJKOSA-N 1 2 234.343 2.346 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878639196 590599103 /nfs/dbraw/zinc/59/91/03/590599103.db2.gz CWVXHQLMRGFLGE-RDBSUJKOSA-N 1 2 234.343 2.346 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(C2CCC2)no1 ZINC000878660082 590604250 /nfs/dbraw/zinc/60/42/50/590604250.db2.gz DGNLQEDHCACNEE-CYBMUJFWSA-N 1 2 233.315 2.229 20 30 BEEDLO C#CCCCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000878684101 590609600 /nfs/dbraw/zinc/60/96/00/590609600.db2.gz OEBKGSMNJYZNCC-NSHDSACASA-N 1 2 233.302 2.128 20 30 BEEDLO C#CCCCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000878684101 590609602 /nfs/dbraw/zinc/60/96/02/590609602.db2.gz OEBKGSMNJYZNCC-NSHDSACASA-N 1 2 233.302 2.128 20 30 BEEDLO C#CC1CC[NH+](CC(F)(F)CC)CC1 ZINC000878764201 590619862 /nfs/dbraw/zinc/61/98/62/590619862.db2.gz RNOFEQOJPCOIMD-UHFFFAOYSA-N 1 2 201.260 2.377 20 30 BEEDLO C#CC(C)(C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000878908814 590644788 /nfs/dbraw/zinc/64/47/88/590644788.db2.gz VXIIYBQAYRNCSU-UHFFFAOYSA-N 1 2 231.299 2.232 20 30 BEEDLO C#CC[N@H+](Cc1ccccc1C#N)C1CSC1 ZINC000878909484 590645480 /nfs/dbraw/zinc/64/54/80/590645480.db2.gz DEASFVQBFIXUGL-UHFFFAOYSA-N 1 2 242.347 2.109 20 30 BEEDLO C#CC[N@@H+](Cc1ccccc1C#N)C1CSC1 ZINC000878909484 590645485 /nfs/dbraw/zinc/64/54/85/590645485.db2.gz DEASFVQBFIXUGL-UHFFFAOYSA-N 1 2 242.347 2.109 20 30 BEEDLO C#CC[NH+](CC#C)Cc1c(O)cccc1Cl ZINC000127440224 590658067 /nfs/dbraw/zinc/65/80/67/590658067.db2.gz PHLBOACYVRWZOM-UHFFFAOYSA-N 1 2 233.698 2.114 20 30 BEEDLO N#CC[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000879673368 590845806 /nfs/dbraw/zinc/84/58/06/590845806.db2.gz IOMJWMXZWLPDJY-AWEZNQCLSA-N 1 2 229.327 2.296 20 30 BEEDLO N#CC[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000879673369 590846179 /nfs/dbraw/zinc/84/61/79/590846179.db2.gz IOMJWMXZWLPDJY-CQSZACIVSA-N 1 2 229.327 2.296 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880044136 590913272 /nfs/dbraw/zinc/91/32/72/590913272.db2.gz BFFHIJIYMDQXCD-QMMMGPOBSA-N 1 2 243.656 2.392 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880044136 590913275 /nfs/dbraw/zinc/91/32/75/590913275.db2.gz BFFHIJIYMDQXCD-QMMMGPOBSA-N 1 2 243.656 2.392 20 30 BEEDLO Cc1[nH+]cnc(NCCCCC#N)c1C ZINC000881918114 591277980 /nfs/dbraw/zinc/27/79/80/591277980.db2.gz DDZYTDNTFFGFOS-UHFFFAOYSA-N 1 2 204.277 2.199 20 30 BEEDLO C=CCOCCCNc1nc[nH+]c(C)c1C ZINC000882619441 591400007 /nfs/dbraw/zinc/40/00/07/591400007.db2.gz LDNQJYVPGBTGRG-UHFFFAOYSA-N 1 2 221.304 2.098 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131859326 591670641 /nfs/dbraw/zinc/67/06/41/591670641.db2.gz KSNDWVDQXYZJFO-GFCCVEGCSA-N 1 2 238.718 2.287 20 30 BEEDLO C=C(Cl)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131859326 591670645 /nfs/dbraw/zinc/67/06/45/591670645.db2.gz KSNDWVDQXYZJFO-GFCCVEGCSA-N 1 2 238.718 2.287 20 30 BEEDLO C#CC[C@H]1CCCN(c2cc[nH+]c(CC)n2)C1 ZINC000884541732 591972623 /nfs/dbraw/zinc/97/26/23/591972623.db2.gz MFKRTPMWCFLJCM-LBPRGKRZSA-N 1 2 229.327 2.279 20 30 BEEDLO N#C[C@]1(F)CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886164730 592167749 /nfs/dbraw/zinc/16/77/49/592167749.db2.gz SOWRFTSGAWMQNU-FRRDWIJNSA-N 1 2 222.307 2.360 20 30 BEEDLO N#C[C@]1(F)CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886164730 592167751 /nfs/dbraw/zinc/16/77/51/592167751.db2.gz SOWRFTSGAWMQNU-FRRDWIJNSA-N 1 2 222.307 2.360 20 30 BEEDLO C#CC[C@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000886365157 592219954 /nfs/dbraw/zinc/21/99/54/592219954.db2.gz BFFTYMSVZQBYHL-NSHDSACASA-N 1 2 245.326 2.182 20 30 BEEDLO C#CC[C@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000886365157 592219956 /nfs/dbraw/zinc/21/99/56/592219956.db2.gz BFFTYMSVZQBYHL-NSHDSACASA-N 1 2 245.326 2.182 20 30 BEEDLO C=C/C=C/CC/[NH+]=C\c1c(O)c(C)ncc1CO ZINC000887268364 592473311 /nfs/dbraw/zinc/47/33/11/592473311.db2.gz JOMXPERKODXTGA-RAVRHJGSSA-N 1 2 246.310 2.139 20 30 BEEDLO COC[C@H]1C[C@@H](/[NH+]=C\c2cccc(OC)c2O)C1 ZINC000887271060 592474248 /nfs/dbraw/zinc/47/42/48/592474248.db2.gz ZCGOPSAQPFQQEO-RICYAQSNSA-N 1 2 249.310 2.245 20 30 BEEDLO C=C[C@@H]([NH2+]CC(CC)(CC)SC)C(=O)OC ZINC000301019971 592526726 /nfs/dbraw/zinc/52/67/26/592526726.db2.gz JQGCVVOFVVGOLC-SNVBAGLBSA-N 1 2 245.388 2.225 20 30 BEEDLO C=C[C@H]([NH2+]CC(CC)(CC)SC)C(=O)OC ZINC000301019969 592527449 /nfs/dbraw/zinc/52/74/49/592527449.db2.gz JQGCVVOFVVGOLC-JTQLQIEISA-N 1 2 245.388 2.225 20 30 BEEDLO N#C[C@H]1CCC[N@H+](CCSc2ccncc2)C1 ZINC000932153266 635603465 /nfs/dbraw/zinc/60/34/65/635603465.db2.gz YGZWGYHOXKKKOV-GFCCVEGCSA-N 1 2 247.367 2.409 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](CCSc2ccncc2)C1 ZINC000932153266 635603471 /nfs/dbraw/zinc/60/34/71/635603471.db2.gz YGZWGYHOXKKKOV-GFCCVEGCSA-N 1 2 247.367 2.409 20 30 BEEDLO C[C@H](C[N@@H+]1CCO[C@](C)(C#N)C1)C(C)(C)C ZINC000933611589 631462221 /nfs/dbraw/zinc/46/22/21/631462221.db2.gz QZUNCTYJUWLXGA-DGCLKSJQSA-N 1 2 224.348 2.283 20 30 BEEDLO C[C@H](C[N@H+]1CCO[C@](C)(C#N)C1)C(C)(C)C ZINC000933611589 631462227 /nfs/dbraw/zinc/46/22/27/631462227.db2.gz QZUNCTYJUWLXGA-DGCLKSJQSA-N 1 2 224.348 2.283 20 30 BEEDLO COc1ccc2oc(C[NH2+]CCC#N)cc2c1 ZINC000425992577 635661977 /nfs/dbraw/zinc/66/19/77/635661977.db2.gz FKJALCGTXIDNSA-UHFFFAOYSA-N 1 2 230.267 2.445 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1cnc(Cl)cn1 ZINC000934459690 631850506 /nfs/dbraw/zinc/85/05/06/631850506.db2.gz DVHQRJDRLYWYMC-JTQLQIEISA-N 1 2 223.707 2.280 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000934459690 631850510 /nfs/dbraw/zinc/85/05/10/631850510.db2.gz DVHQRJDRLYWYMC-JTQLQIEISA-N 1 2 223.707 2.280 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nnc(CC)[nH]1 ZINC000934460119 631852420 /nfs/dbraw/zinc/85/24/20/631852420.db2.gz NTKWGHCKXDCUPK-ZJUUUORDSA-N 1 2 220.320 2.079 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nnc(CC)[nH]1 ZINC000934460119 631852423 /nfs/dbraw/zinc/85/24/23/631852423.db2.gz NTKWGHCKXDCUPK-ZJUUUORDSA-N 1 2 220.320 2.079 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc(C(C)C)[nH]1 ZINC000934463900 631859001 /nfs/dbraw/zinc/85/90/01/631859001.db2.gz KWEKPMNTRUUTKV-JTQLQIEISA-N 1 2 220.320 2.079 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc(C(C)C)[nH]1 ZINC000934463900 631859004 /nfs/dbraw/zinc/85/90/04/631859004.db2.gz KWEKPMNTRUUTKV-JTQLQIEISA-N 1 2 220.320 2.079 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(CCC)no1 ZINC000934472254 631867657 /nfs/dbraw/zinc/86/76/57/631867657.db2.gz QEONUXNTUYXTMF-JTQLQIEISA-N 1 2 221.304 2.173 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(CCC)no1 ZINC000934472254 631867661 /nfs/dbraw/zinc/86/76/61/631867661.db2.gz QEONUXNTUYXTMF-JTQLQIEISA-N 1 2 221.304 2.173 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000161959008 632464647 /nfs/dbraw/zinc/46/46/47/632464647.db2.gz ADLYWDBTEGOPSB-GWCFXTLKSA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000161959008 632464651 /nfs/dbraw/zinc/46/46/51/632464651.db2.gz ADLYWDBTEGOPSB-GWCFXTLKSA-N 1 2 236.290 2.093 20 30 BEEDLO C#C[C@@H](C)[NH2+]Cc1occc1Br ZINC000235213806 632537956 /nfs/dbraw/zinc/53/79/56/632537956.db2.gz BJUARYSJOOSASA-SSDOTTSWSA-N 1 2 228.089 2.153 20 30 BEEDLO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000260018438 632567620 /nfs/dbraw/zinc/56/76/20/632567620.db2.gz ODXAYHNGMHPFBP-RYUDHWBXSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1ccncc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC000260018438 632567627 /nfs/dbraw/zinc/56/76/27/632567627.db2.gz ODXAYHNGMHPFBP-RYUDHWBXSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000260018366 632568234 /nfs/dbraw/zinc/56/82/34/632568234.db2.gz ODXAYHNGMHPFBP-NEPJUHHUSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1ccncc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC000260018366 632568242 /nfs/dbraw/zinc/56/82/42/632568242.db2.gz ODXAYHNGMHPFBP-NEPJUHHUSA-N 1 2 215.300 2.378 20 30 BEEDLO C=C(Br)C[N@H+](CC)C[C@H]1CCCO1 ZINC000051554637 632607815 /nfs/dbraw/zinc/60/78/15/632607815.db2.gz XPVUWAXMPMUSAT-SNVBAGLBSA-N 1 2 248.164 2.396 20 30 BEEDLO C=C(Br)C[N@@H+](CC)C[C@H]1CCCO1 ZINC000051554637 632607823 /nfs/dbraw/zinc/60/78/23/632607823.db2.gz XPVUWAXMPMUSAT-SNVBAGLBSA-N 1 2 248.164 2.396 20 30 BEEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc[nH]1 ZINC000309761848 632667086 /nfs/dbraw/zinc/66/70/86/632667086.db2.gz IVMYBBHESAONON-QMMMGPOBSA-N 1 2 232.312 2.194 20 30 BEEDLO N#CC1(CNc2nccn3c[nH+]cc23)CCCC1 ZINC000894380400 635873411 /nfs/dbraw/zinc/87/34/11/635873411.db2.gz GNWQQUQJFNTXHY-UHFFFAOYSA-N 1 2 241.298 2.225 20 30 BEEDLO CC[C@H]([NH2+]CC1(C#N)CC1)c1cccc(OC)n1 ZINC000926873857 633757019 /nfs/dbraw/zinc/75/70/19/633757019.db2.gz JYYSSELFXUZYLI-NSHDSACASA-N 1 2 245.326 2.435 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](C)c1cc(C(=O)OC)co1 ZINC000309961268 633989786 /nfs/dbraw/zinc/98/97/86/633989786.db2.gz LHGBQMKXNXUMGV-QMMMGPOBSA-N 1 2 243.690 2.469 20 30 BEEDLO C=C[C@@H](CC)CC(=O)OCCc1c[nH+]cn1C ZINC000909525525 636166748 /nfs/dbraw/zinc/16/67/48/636166748.db2.gz PNVQGSVOLYGYBT-NSHDSACASA-N 1 2 236.315 2.108 20 30 BEEDLO C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000260229559 635315613 /nfs/dbraw/zinc/31/56/13/635315613.db2.gz WSBOATNXTQGVLU-NEPJUHHUSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1cccnc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC000260229559 635315618 /nfs/dbraw/zinc/31/56/18/635315618.db2.gz WSBOATNXTQGVLU-NEPJUHHUSA-N 1 2 215.300 2.378 20 30 BEEDLO C#C[C@@H]1CCCCN1c1cc(C)[nH+]c(CC)n1 ZINC000897360528 636421783 /nfs/dbraw/zinc/42/17/83/636421783.db2.gz IXZKMTHNJAEUBP-GFCCVEGCSA-N 1 2 229.327 2.340 20 30 BEEDLO C=CCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897418243 636624300 /nfs/dbraw/zinc/62/43/00/636624300.db2.gz FWXHGUKVXUPIRT-UHFFFAOYSA-N 1 2 249.358 2.399 20 30 BEEDLO C=C(Cl)COC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923891037 637005601 /nfs/dbraw/zinc/00/56/01/637005601.db2.gz JQIVEMITSDZTSL-JTQLQIEISA-N 1 2 231.723 2.155 20 30 BEEDLO C=C(Cl)COC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923891037 637005609 /nfs/dbraw/zinc/00/56/09/637005609.db2.gz JQIVEMITSDZTSL-JTQLQIEISA-N 1 2 231.723 2.155 20 30 BEEDLO Cn1c[nH+]cc1/C=C1/CCc2scnc2C1=O ZINC000901543807 637261621 /nfs/dbraw/zinc/26/16/21/637261621.db2.gz QARDEEQLBWHKIU-YWEYNIOJSA-N 1 2 245.307 2.089 20 30 BEEDLO C#CC[N@H+](CN1C(=O)[C@H]2CCCCC[C@H]21)C(C)C ZINC000905747822 637897394 /nfs/dbraw/zinc/89/73/94/637897394.db2.gz DRNQIECHXYTFRL-UONOGXRCSA-N 1 2 248.370 2.079 20 30 BEEDLO C#CC[N@@H+](CN1C(=O)[C@H]2CCCCC[C@H]21)C(C)C ZINC000905747822 637897399 /nfs/dbraw/zinc/89/73/99/637897399.db2.gz DRNQIECHXYTFRL-UONOGXRCSA-N 1 2 248.370 2.079 20 30 BEEDLO C=CCSCC[NH2+][C@@H](C(=O)OC)[C@H](C)CC ZINC000905761099 637916089 /nfs/dbraw/zinc/91/60/89/637916089.db2.gz DPFWXGYKNBPJGE-GHMZBOCLSA-N 1 2 245.388 2.083 20 30 BEEDLO C=CC[C@@H]([NH2+]CCc1cccc(C)c1)C(=O)OC ZINC000905754328 637913040 /nfs/dbraw/zinc/91/30/40/637913040.db2.gz FMSRLNSSMOHMSJ-CQSZACIVSA-N 1 2 247.338 2.245 20 30 BEEDLO C=CC[C@@H]([NH2+]CCSCC(C)C)C(=O)OC ZINC000905761998 637917139 /nfs/dbraw/zinc/91/71/39/637917139.db2.gz KSGFRSAWDCSLIQ-LLVKDONJSA-N 1 2 245.388 2.083 20 30 BEEDLO C=CC[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C(=O)OC ZINC000905768549 637922441 /nfs/dbraw/zinc/92/24/41/637922441.db2.gz TYBNTDOSKCRXSJ-NXEZZACHSA-N 1 2 247.285 2.272 20 30 BEEDLO C=CC[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)C(=O)OC ZINC000905771665 637926852 /nfs/dbraw/zinc/92/68/52/637926852.db2.gz VQBLOXDXDXPPGF-VHSXEESVSA-N 1 2 247.285 2.129 20 30 BEEDLO Cc1cc(C)c(C(=O)N[C@H](C)CC#N)c(C)[nH+]1 ZINC000906460092 638170878 /nfs/dbraw/zinc/17/08/78/638170878.db2.gz QTNWYDWDORAFSJ-SECBINFHSA-N 1 2 231.299 2.039 20 30 BEEDLO CC[C@@H](CC#N)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907389631 638371796 /nfs/dbraw/zinc/37/17/96/638371796.db2.gz SCRPBWZEVZCHGL-LBPRGKRZSA-N 1 2 245.326 2.429 20 30 BEEDLO C=CCCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000908185643 638596602 /nfs/dbraw/zinc/59/66/02/638596602.db2.gz RPOAQHGKKDOLFY-UHFFFAOYSA-N 1 2 235.331 2.205 20 30 BEEDLO C=CCC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC000909223742 639178309 /nfs/dbraw/zinc/17/83/09/639178309.db2.gz ZZOUDQWQKOHREZ-UHFFFAOYSA-N 1 2 247.342 2.347 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)C1CC1 ZINC000930967559 640004088 /nfs/dbraw/zinc/00/40/88/640004088.db2.gz YPFQSSHPTBIOAG-NSHDSACASA-N 1 2 237.343 2.062 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)C1CC1 ZINC000930967559 640004092 /nfs/dbraw/zinc/00/40/92/640004092.db2.gz YPFQSSHPTBIOAG-NSHDSACASA-N 1 2 237.343 2.062 20 30 BEEDLO CCN(Cc1cc(C)cc(C)[nH+]1)[C@@H](C)C#N ZINC000931056087 640044171 /nfs/dbraw/zinc/04/41/71/640044171.db2.gz IZOWUWZZXVKRPF-LBPRGKRZSA-N 1 2 217.316 2.432 20 30 BEEDLO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931134295 640072000 /nfs/dbraw/zinc/07/20/00/640072000.db2.gz LRDYSPUUUIUKFP-NSHDSACASA-N 1 2 247.346 2.272 20 30 BEEDLO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931134295 640072008 /nfs/dbraw/zinc/07/20/08/640072008.db2.gz LRDYSPUUUIUKFP-NSHDSACASA-N 1 2 247.346 2.272 20 30 BEEDLO CCCCCCCC[N@H+](C)C1CS(=O)(=O)C1 ZINC000931236106 640110614 /nfs/dbraw/zinc/11/06/14/640110614.db2.gz RASMQPZDYXFYMO-UHFFFAOYSA-N 1 2 247.404 2.076 20 30 BEEDLO CCCCCCCC[N@@H+](C)C1CS(=O)(=O)C1 ZINC000931236106 640110621 /nfs/dbraw/zinc/11/06/21/640110621.db2.gz RASMQPZDYXFYMO-UHFFFAOYSA-N 1 2 247.404 2.076 20 30 BEEDLO CC(C)(C)C(=O)CC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932148448 640441289 /nfs/dbraw/zinc/44/12/89/640441289.db2.gz ODKMVCVIFXPPFG-LLVKDONJSA-N 1 2 222.332 2.227 20 30 BEEDLO CC(C)(C)C(=O)CC[N@H+]1CCC[C@H](C#N)C1 ZINC000932148448 640441294 /nfs/dbraw/zinc/44/12/94/640441294.db2.gz ODKMVCVIFXPPFG-LLVKDONJSA-N 1 2 222.332 2.227 20 30 BEEDLO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932156938 640444492 /nfs/dbraw/zinc/44/44/92/640444492.db2.gz TXUCKMWCWZFSJP-UKRRQHHQSA-N 1 2 244.338 2.264 20 30 BEEDLO Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932156938 640444495 /nfs/dbraw/zinc/44/44/95/640444495.db2.gz TXUCKMWCWZFSJP-UKRRQHHQSA-N 1 2 244.338 2.264 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000932160411 640445773 /nfs/dbraw/zinc/44/57/73/640445773.db2.gz DICNQNRSRIRORA-FZMZJTMJSA-N 1 2 248.301 2.095 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000932160411 640445777 /nfs/dbraw/zinc/44/57/77/640445777.db2.gz DICNQNRSRIRORA-FZMZJTMJSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)CCO1 ZINC000932343865 640487503 /nfs/dbraw/zinc/48/75/03/640487503.db2.gz UYAJAKAIUOQSPN-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)CCO1 ZINC000932343865 640487510 /nfs/dbraw/zinc/48/75/10/640487510.db2.gz UYAJAKAIUOQSPN-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO CCC#C[C@H](C)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932358314 640498804 /nfs/dbraw/zinc/49/88/04/640498804.db2.gz WOLQBPFFTQGAKY-AAEUAGOBSA-N 1 2 229.327 2.319 20 30 BEEDLO C#CC[N@H+](Cc1nc(-c2ccco2)no1)C(C)C ZINC000932393705 640521124 /nfs/dbraw/zinc/52/11/24/640521124.db2.gz FBNCPGSAKPYWRV-UHFFFAOYSA-N 1 2 245.282 2.173 20 30 BEEDLO C#CC[N@@H+](Cc1nc(-c2ccco2)no1)C(C)C ZINC000932393705 640521130 /nfs/dbraw/zinc/52/11/30/640521130.db2.gz FBNCPGSAKPYWRV-UHFFFAOYSA-N 1 2 245.282 2.173 20 30 BEEDLO C#CC[N@@H+](Cc1nc(C(C)C)no1)C(C)(C)C ZINC000932463265 640535559 /nfs/dbraw/zinc/53/55/59/640535559.db2.gz BDYKXVKGJVQYIW-UHFFFAOYSA-N 1 2 235.331 2.427 20 30 BEEDLO C#CC[N@H+](Cc1nc(C(C)C)no1)C(C)(C)C ZINC000932463265 640535561 /nfs/dbraw/zinc/53/55/61/640535561.db2.gz BDYKXVKGJVQYIW-UHFFFAOYSA-N 1 2 235.331 2.427 20 30 BEEDLO C=CC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933623463 640735762 /nfs/dbraw/zinc/73/57/62/640735762.db2.gz RCWXKBPZVGEDGM-AWEZNQCLSA-N 1 2 228.295 2.118 20 30 BEEDLO C=CC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933623463 640735766 /nfs/dbraw/zinc/73/57/66/640735766.db2.gz RCWXKBPZVGEDGM-AWEZNQCLSA-N 1 2 228.295 2.118 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001030510103 640891109 /nfs/dbraw/zinc/89/11/09/640891109.db2.gz LTUXHASMOCNECS-ZDUSSCGKSA-N 1 2 248.370 2.109 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934475763 641166192 /nfs/dbraw/zinc/16/61/92/641166192.db2.gz PLOBTXINQDFQSY-NSHDSACASA-N 1 2 215.724 2.240 20 30 BEEDLO C=C(Cl)C[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934475763 641166187 /nfs/dbraw/zinc/16/61/87/641166187.db2.gz PLOBTXINQDFQSY-NSHDSACASA-N 1 2 215.724 2.240 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nc(C)cs1 ZINC000934512404 641180978 /nfs/dbraw/zinc/18/09/78/641180978.db2.gz MGTCDWOJPBUEKB-LLVKDONJSA-N 1 2 220.341 2.439 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nc(C)cs1 ZINC000934512404 641180980 /nfs/dbraw/zinc/18/09/80/641180980.db2.gz MGTCDWOJPBUEKB-LLVKDONJSA-N 1 2 220.341 2.439 20 30 BEEDLO C=C(Br)C[NH2+]Cc1oc(C)nc1C ZINC000311673096 641361109 /nfs/dbraw/zinc/36/11/09/641361109.db2.gz ALGOOGMHZONNGH-UHFFFAOYSA-N 1 2 245.120 2.290 20 30 BEEDLO C#C[C@H](CCC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935623282 641449060 /nfs/dbraw/zinc/44/90/60/641449060.db2.gz CBARFXTUAIDKHQ-LLVKDONJSA-N 1 2 241.294 2.095 20 30 BEEDLO C[N@H+](CCC#N)C[C@H]1CCCC2(CCC2)O1 ZINC000929808966 641636669 /nfs/dbraw/zinc/63/66/69/641636669.db2.gz MMPQUTIESWSTGM-GFCCVEGCSA-N 1 2 222.332 2.324 20 30 BEEDLO C[N@@H+](CCC#N)C[C@H]1CCCC2(CCC2)O1 ZINC000929808966 641636673 /nfs/dbraw/zinc/63/66/73/641636673.db2.gz MMPQUTIESWSTGM-GFCCVEGCSA-N 1 2 222.332 2.324 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccccc1OC(F)F ZINC000076185669 641797769 /nfs/dbraw/zinc/79/77/69/641797769.db2.gz DMXFULVTQVGXLT-UHFFFAOYSA-N 1 2 249.260 2.356 20 30 BEEDLO CCCNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000915965018 641893134 /nfs/dbraw/zinc/89/31/34/641893134.db2.gz ZUUGKKCOIVRPHJ-UHFFFAOYSA-N 1 2 228.299 2.206 20 30 BEEDLO C=CC[N@@H+](Cc1nc(CCC)no1)C(C)C ZINC000917071538 642003668 /nfs/dbraw/zinc/00/36/68/642003668.db2.gz VCYSSSBNJRSTMS-UHFFFAOYSA-N 1 2 223.320 2.419 20 30 BEEDLO C=CC[N@H+](Cc1nc(CCC)no1)C(C)C ZINC000917071538 642003673 /nfs/dbraw/zinc/00/36/73/642003673.db2.gz VCYSSSBNJRSTMS-UHFFFAOYSA-N 1 2 223.320 2.419 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC2CC2)o1 ZINC000933205463 642389237 /nfs/dbraw/zinc/38/92/37/642389237.db2.gz YNBVLRRRIZWEDB-GFCCVEGCSA-N 1 2 246.310 2.152 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2CC2CC2)o1 ZINC000933205463 642389242 /nfs/dbraw/zinc/38/92/42/642389242.db2.gz YNBVLRRRIZWEDB-GFCCVEGCSA-N 1 2 246.310 2.152 20 30 BEEDLO C#CCC1([NH2+][C@H](CC(C)C)C(=O)OC)CCC1 ZINC000933296157 642501191 /nfs/dbraw/zinc/50/11/91/642501191.db2.gz DOTLWPWDLFXDCV-GFCCVEGCSA-N 1 2 237.343 2.110 20 30 BEEDLO C=CCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000175472020 642685229 /nfs/dbraw/zinc/68/52/29/642685229.db2.gz FIZZGZRGCOFEMC-ZDUSSCGKSA-N 1 2 233.311 2.409 20 30 BEEDLO C=CCOC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000175472020 642685230 /nfs/dbraw/zinc/68/52/30/642685230.db2.gz FIZZGZRGCOFEMC-ZDUSSCGKSA-N 1 2 233.311 2.409 20 30 BEEDLO C=CCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000175472042 642686240 /nfs/dbraw/zinc/68/62/40/642686240.db2.gz FIZZGZRGCOFEMC-CYBMUJFWSA-N 1 2 233.311 2.409 20 30 BEEDLO C=CCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000175472042 642686247 /nfs/dbraw/zinc/68/62/47/642686247.db2.gz FIZZGZRGCOFEMC-CYBMUJFWSA-N 1 2 233.311 2.409 20 30 BEEDLO NC(Cc1cccnc1)=[NH+]OCC1CCCCC1 ZINC000180839839 642817831 /nfs/dbraw/zinc/81/78/31/642817831.db2.gz FJEFLSVHGBCSQH-UHFFFAOYSA-N 1 2 247.342 2.493 20 30 BEEDLO Cl/C=C/CON=Cc1cccc2[nH+]ccn21 ZINC000811669133 643183466 /nfs/dbraw/zinc/18/34/66/643183466.db2.gz CJHAATUXEJIGPQ-HWOCBEIQSA-N 1 2 235.674 2.437 20 30 BEEDLO Cc1cc(CO[NH+]=C(N)Cc2ccccc2)on1 ZINC000072001916 643201083 /nfs/dbraw/zinc/20/10/83/643201083.db2.gz CFJPREMQSOHXPT-UHFFFAOYSA-N 1 2 245.282 2.015 20 30 BEEDLO C#CC[N@H+](Cc1cscn1)C(C)(C)C ZINC000932466269 643272643 /nfs/dbraw/zinc/27/26/43/643272643.db2.gz XEHDUIOWRUTEGV-UHFFFAOYSA-N 1 2 208.330 2.377 20 30 BEEDLO C#CC[N@@H+](Cc1cscn1)C(C)(C)C ZINC000932466269 643272653 /nfs/dbraw/zinc/27/26/53/643272653.db2.gz XEHDUIOWRUTEGV-UHFFFAOYSA-N 1 2 208.330 2.377 20 30 BEEDLO CC(C)C[N@H+](CCC#N)Cc1ccncc1 ZINC000049800851 643444004 /nfs/dbraw/zinc/44/40/04/643444004.db2.gz AVMRUYCGGUTKSE-UHFFFAOYSA-N 1 2 217.316 2.453 20 30 BEEDLO CC(C)C[N@@H+](CCC#N)Cc1ccncc1 ZINC000049800851 643444010 /nfs/dbraw/zinc/44/40/10/643444010.db2.gz AVMRUYCGGUTKSE-UHFFFAOYSA-N 1 2 217.316 2.453 20 30 BEEDLO N#Cc1cc(C[NH2+][C@H]2CCn3ccnc32)cs1 ZINC000922151543 643873249 /nfs/dbraw/zinc/87/32/49/643873249.db2.gz NKGPBPBAVZFPEJ-NSHDSACASA-N 1 2 244.323 2.051 20 30 BEEDLO N#Cc1cc(C[NH2+][C@@H]2CCn3ccnc32)cs1 ZINC000922151542 643874100 /nfs/dbraw/zinc/87/41/00/643874100.db2.gz NKGPBPBAVZFPEJ-LLVKDONJSA-N 1 2 244.323 2.051 20 30 BEEDLO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccn(C)n1 ZINC000922180688 643895548 /nfs/dbraw/zinc/89/55/48/643895548.db2.gz FURCLXULYXNEOQ-SECBINFHSA-N 1 2 246.339 2.204 20 30 BEEDLO Cc1cnc(C[NH2+]Cc2ccc(C#N)cc2)o1 ZINC000227084174 644151933 /nfs/dbraw/zinc/15/19/33/644151933.db2.gz BPPIQDGWLSSKNF-UHFFFAOYSA-N 1 2 227.267 2.145 20 30 BEEDLO COCCON=C(C)C[NH+]1Cc2ccccc2C1 ZINC000792635701 644800534 /nfs/dbraw/zinc/80/05/34/644800534.db2.gz JIZWEEMRIVBUNK-UHFFFAOYSA-N 1 2 248.326 2.041 20 30 BEEDLO C#CC1CC[NH+](Cc2nnc(C3CC3)s2)CC1 ZINC000830351664 645121697 /nfs/dbraw/zinc/12/16/97/645121697.db2.gz UIYWDNSWDCOJNW-UHFFFAOYSA-N 1 2 247.367 2.261 20 30 BEEDLO CC[C@@H](O)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000926700014 645367992 /nfs/dbraw/zinc/36/79/92/645367992.db2.gz BXZBLSCNASQXNQ-YPMHNXCESA-N 1 2 248.326 2.075 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(CCCC)no2)C1 ZINC000847031095 645422171 /nfs/dbraw/zinc/42/21/71/645422171.db2.gz SJHHIBTUZACUEO-LBPRGKRZSA-N 1 2 247.342 2.257 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2nc(CCCC)no2)C1 ZINC000847031095 645422180 /nfs/dbraw/zinc/42/21/80/645422180.db2.gz SJHHIBTUZACUEO-LBPRGKRZSA-N 1 2 247.342 2.257 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)CCC ZINC000852425659 645479499 /nfs/dbraw/zinc/47/94/99/645479499.db2.gz XPKHJISBONBZTR-LBPRGKRZSA-N 1 2 239.359 2.452 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)CCC ZINC000852425659 645479504 /nfs/dbraw/zinc/47/95/04/645479504.db2.gz XPKHJISBONBZTR-LBPRGKRZSA-N 1 2 239.359 2.452 20 30 BEEDLO C#CC[N@@H+](CCCC)CC(=O)OC(C)(C)C ZINC000852429731 645479930 /nfs/dbraw/zinc/47/99/30/645479930.db2.gz WONLQTOGQTWWPN-UHFFFAOYSA-N 1 2 225.332 2.063 20 30 BEEDLO C#CC[N@H+](CCCC)CC(=O)OC(C)(C)C ZINC000852429731 645479939 /nfs/dbraw/zinc/47/99/39/645479939.db2.gz WONLQTOGQTWWPN-UHFFFAOYSA-N 1 2 225.332 2.063 20 30 BEEDLO Cc1nonc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000924638906 646079034 /nfs/dbraw/zinc/07/90/34/646079034.db2.gz GYIQPMCCXGZTHV-SECBINFHSA-N 1 2 242.282 2.101 20 30 BEEDLO Cc1nnsc1[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000929417276 646112875 /nfs/dbraw/zinc/11/28/75/646112875.db2.gz ZBYUDKZRYMEKJY-SECBINFHSA-N 1 2 236.344 2.143 20 30 BEEDLO C=CCN(Cc1[nH]c(C)[nH+]c1C)C1CC1 ZINC000930174922 646478191 /nfs/dbraw/zinc/47/81/91/646478191.db2.gz FWTQXDANMQPCTD-UHFFFAOYSA-N 1 2 205.305 2.177 20 30 BEEDLO C=C(Br)C[N@@H+](CC)[C@H]1CCOC1 ZINC000388511558 711890968 /nfs/dbraw/zinc/89/09/68/711890968.db2.gz RJAJCWVMJKFRSO-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@H+](CC)[C@H]1CCOC1 ZINC000388511558 711890970 /nfs/dbraw/zinc/89/09/70/711890970.db2.gz RJAJCWVMJKFRSO-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO C#C[C@H]([NH2+]Cc1ncc(C)o1)C(C)(C)C ZINC000700402521 711992487 /nfs/dbraw/zinc/99/24/87/711992487.db2.gz MOBMUABVTYNJOW-JTQLQIEISA-N 1 2 206.289 2.121 20 30 BEEDLO C(#Cc1ccccc1)C[NH2+]Cc1nccs1 ZINC000381448958 710638430 /nfs/dbraw/zinc/63/84/30/710638430.db2.gz GJOZYKYVLAJMIQ-UHFFFAOYSA-N 1 2 228.320 2.284 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001042597850 710795122 /nfs/dbraw/zinc/79/51/22/710795122.db2.gz VXTHCEKEOVQZAE-UHFFFAOYSA-N 1 2 248.370 2.206 20 30 BEEDLO N#CCc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000399161936 711423242 /nfs/dbraw/zinc/42/32/42/711423242.db2.gz FLQIBCWGBJRZFJ-OAHLLOKOSA-N 1 2 239.322 2.488 20 30 BEEDLO N#CCc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000399161936 711423244 /nfs/dbraw/zinc/42/32/44/711423244.db2.gz FLQIBCWGBJRZFJ-OAHLLOKOSA-N 1 2 239.322 2.488 20 30 BEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000724142366 711564680 /nfs/dbraw/zinc/56/46/80/711564680.db2.gz TWJPWFPOWVBVJR-RKDXNWHRSA-N 1 2 234.137 2.004 20 30 BEEDLO C=C(Br)C[N@H+](C)[C@@H]1CC[C@H]1OC ZINC000724142366 711564682 /nfs/dbraw/zinc/56/46/82/711564682.db2.gz TWJPWFPOWVBVJR-RKDXNWHRSA-N 1 2 234.137 2.004 20 30 BEEDLO Cc1ccoc1C[N@@H+](C)Cc1cncc(C#N)c1 ZINC000721524937 711617767 /nfs/dbraw/zinc/61/77/67/711617767.db2.gz YYCWMEJXKRBFOK-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1ccoc1C[N@H+](C)Cc1cncc(C#N)c1 ZINC000721524937 711617768 /nfs/dbraw/zinc/61/77/68/711617768.db2.gz YYCWMEJXKRBFOK-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1c(C)noc1C ZINC000086110623 711960758 /nfs/dbraw/zinc/96/07/58/711960758.db2.gz XMVSCUNGOIECIT-UHFFFAOYSA-N 1 2 200.669 2.134 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1ncc(CC)o1 ZINC000700348130 711989836 /nfs/dbraw/zinc/98/98/36/711989836.db2.gz WHNVXOUININWIC-LBPRGKRZSA-N 1 2 206.289 2.129 20 30 BEEDLO COc1ccc2c(c1)C(=O)/C(=C/c1[nH]cc[nH+]1)C2 ZINC000747441058 712404544 /nfs/dbraw/zinc/40/45/44/712404544.db2.gz RADRYXOYWYWXAS-JXMROGBWSA-N 1 2 240.262 2.241 20 30 BEEDLO C[N@H+](CCC#N)C[C@H]1CCC(C)(C)CO1 ZINC000713618207 712467036 /nfs/dbraw/zinc/46/70/36/712467036.db2.gz IUXOQJTWCHQHML-LLVKDONJSA-N 1 2 210.321 2.037 20 30 BEEDLO C[N@@H+](CCC#N)C[C@H]1CCC(C)(C)CO1 ZINC000713618207 712467037 /nfs/dbraw/zinc/46/70/37/712467037.db2.gz IUXOQJTWCHQHML-LLVKDONJSA-N 1 2 210.321 2.037 20 30 BEEDLO C[N@H+](CCC#N)C[C@@H]1CCC(C)(C)CO1 ZINC000713618212 712467157 /nfs/dbraw/zinc/46/71/57/712467157.db2.gz IUXOQJTWCHQHML-NSHDSACASA-N 1 2 210.321 2.037 20 30 BEEDLO C[N@@H+](CCC#N)C[C@@H]1CCC(C)(C)CO1 ZINC000713618212 712467159 /nfs/dbraw/zinc/46/71/59/712467159.db2.gz IUXOQJTWCHQHML-NSHDSACASA-N 1 2 210.321 2.037 20 30 BEEDLO C=C/C=C/CC[N@H+](CC=C)CC(=O)OCC ZINC000713746397 712471342 /nfs/dbraw/zinc/47/13/42/712471342.db2.gz MXXCMGXWRUQVQM-BQYQJAHWSA-N 1 2 223.316 2.170 20 30 BEEDLO C=C/C=C/CC[N@@H+](CC=C)CC(=O)OCC ZINC000713746397 712471343 /nfs/dbraw/zinc/47/13/43/712471343.db2.gz MXXCMGXWRUQVQM-BQYQJAHWSA-N 1 2 223.316 2.170 20 30 BEEDLO C#CC[C@H](COC)Nc1[nH+]c2ccccc2n1C ZINC000716415861 712559707 /nfs/dbraw/zinc/55/97/07/712559707.db2.gz AHOICSWROVKJHC-LLVKDONJSA-N 1 2 243.310 2.024 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000932159964 712716787 /nfs/dbraw/zinc/71/67/87/712716787.db2.gz SYBHJMKDNZGKAP-LBPRGKRZSA-N 1 2 248.301 2.440 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](CCOc2cccc(F)c2)C1 ZINC000932159964 712716790 /nfs/dbraw/zinc/71/67/90/712716790.db2.gz SYBHJMKDNZGKAP-LBPRGKRZSA-N 1 2 248.301 2.440 20 30 BEEDLO CC[N@H+](CCc1ccns1)C[C@H](C)C#N ZINC000719853262 712826300 /nfs/dbraw/zinc/82/63/00/712826300.db2.gz AFGNYAOCJVZNNN-SNVBAGLBSA-N 1 2 223.345 2.167 20 30 BEEDLO CC[N@@H+](CCc1ccns1)C[C@H](C)C#N ZINC000719853262 712826301 /nfs/dbraw/zinc/82/63/01/712826301.db2.gz AFGNYAOCJVZNNN-SNVBAGLBSA-N 1 2 223.345 2.167 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000720811698 712867108 /nfs/dbraw/zinc/86/71/08/712867108.db2.gz JDRBXWHUDBJEBB-CYBMUJFWSA-N 1 2 242.322 2.357 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000720811698 712867109 /nfs/dbraw/zinc/86/71/09/712867109.db2.gz JDRBXWHUDBJEBB-CYBMUJFWSA-N 1 2 242.322 2.357 20 30 BEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@H](C)CC ZINC001266378026 957409024 /nfs/dbraw/zinc/40/90/24/957409024.db2.gz MWYLXRHUCKYARY-SNVBAGLBSA-N 1 2 246.782 2.223 20 30 BEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@H](C)CC ZINC001266378026 957409041 /nfs/dbraw/zinc/40/90/41/957409041.db2.gz MWYLXRHUCKYARY-SNVBAGLBSA-N 1 2 246.782 2.223 20 30 BEEDLO COc1ccc(C[N@H+](C)CCC#N)c(C)c1 ZINC001140675190 960485577 /nfs/dbraw/zinc/48/55/77/960485577.db2.gz IKJIBLSJAPTHOF-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO COc1ccc(C[N@@H+](C)CCC#N)c(C)c1 ZINC001140675190 960485590 /nfs/dbraw/zinc/48/55/90/960485590.db2.gz IKJIBLSJAPTHOF-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO C#CC1CC[NH+](Cc2ncc(F)cc2F)CC1 ZINC001207098803 968631611 /nfs/dbraw/zinc/63/16/11/968631611.db2.gz JDUOOAAMBLPSOM-UHFFFAOYSA-N 1 2 236.265 2.205 20 30 BEEDLO C=C(C)[C@@H]1CC=C(C[N@@H+](C)CC(=O)OC)CC1 ZINC001208178833 969107119 /nfs/dbraw/zinc/10/71/19/969107119.db2.gz XSUYXOMDELQDMG-CYBMUJFWSA-N 1 2 237.343 2.394 20 30 BEEDLO C=C(C)[C@@H]1CC=C(C[N@H+](C)CC(=O)OC)CC1 ZINC001208178833 969107127 /nfs/dbraw/zinc/10/71/27/969107127.db2.gz XSUYXOMDELQDMG-CYBMUJFWSA-N 1 2 237.343 2.394 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H](CO)c1ccc(F)cc1 ZINC001255152501 969957438 /nfs/dbraw/zinc/95/74/38/969957438.db2.gz VJDGAOKOQGRGJW-CHWSQXEVSA-N 1 2 236.290 2.141 20 30 BEEDLO C#CC[N@@H+](CC(=C)Br)CC1CC1 ZINC000379324065 1166710496 /nfs/dbraw/zinc/71/04/96/1166710496.db2.gz VWMXEYZARMZVQQ-UHFFFAOYSA-N 1 2 228.133 2.240 20 30 BEEDLO C#CC[N@H+](CC(=C)Br)CC1CC1 ZINC000379324065 1166710498 /nfs/dbraw/zinc/71/04/98/1166710498.db2.gz VWMXEYZARMZVQQ-UHFFFAOYSA-N 1 2 228.133 2.240 20 30 BEEDLO C=CCOC1CCC([NH2+][C@H](C#N)CC)CC1 ZINC001173316954 975305538 /nfs/dbraw/zinc/30/55/38/975305538.db2.gz PQOHRLDJLKCOOL-HIFPTAJRSA-N 1 2 222.332 2.392 20 30 BEEDLO CC[C@H](C#N)[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173442143 975378525 /nfs/dbraw/zinc/37/85/25/975378525.db2.gz GYUALSZYKLXGID-WDEREUQCSA-N 1 2 226.320 2.000 20 30 BEEDLO COc1cc[nH+]cc1C1=CC(=O)C[C@@H](C)C1 ZINC000309413903 1167301484 /nfs/dbraw/zinc/30/14/84/1167301484.db2.gz GPTIGARRGIUDQV-VIFPVBQESA-N 1 2 217.268 2.473 20 30 BEEDLO C=CCC[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001120734229 1167695321 /nfs/dbraw/zinc/69/53/21/1167695321.db2.gz VGTQCHFQAUBIJX-CYBMUJFWSA-N 1 2 247.342 2.230 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](CC2OC=CC2=S)C1 ZINC001237190261 979841984 /nfs/dbraw/zinc/84/19/84/979841984.db2.gz GSICXCLRTFDIOG-VIFPVBQESA-N 1 2 222.313 2.304 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](CC2OC=CC2=S)C1 ZINC001237190261 979841987 /nfs/dbraw/zinc/84/19/87/979841987.db2.gz GSICXCLRTFDIOG-VIFPVBQESA-N 1 2 222.313 2.304 20 30 BEEDLO C=CC[NH+](CC=C)Cc1occc1OC ZINC001237875618 980109424 /nfs/dbraw/zinc/10/94/24/980109424.db2.gz YAUNLPVFVLCCSJ-UHFFFAOYSA-N 1 2 207.273 2.462 20 30 BEEDLO N#Cc1cc(F)cc(C[NH+]2CC3(CSC3)C2)c1 ZINC001139878352 1169367614 /nfs/dbraw/zinc/36/76/14/1169367614.db2.gz JGPSHAFJROCYPN-UHFFFAOYSA-N 1 2 248.326 2.246 20 30 BEEDLO C#CCCCNc1cc(CC(=O)OCC)cc[nH+]1 ZINC001155021464 1169418883 /nfs/dbraw/zinc/41/88/83/1169418883.db2.gz XFJFNMZQUCHAAZ-UHFFFAOYSA-N 1 2 246.310 2.013 20 30 BEEDLO C#Cc1cc(Nc2cc(C)cc(O)c2)cc[nH+]1 ZINC001215507576 970772623 /nfs/dbraw/zinc/77/26/23/970772623.db2.gz XGJDPOZZYFRASE-UHFFFAOYSA-N 1 2 224.263 2.242 20 30 BEEDLO C=CCN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001203915810 1169470586 /nfs/dbraw/zinc/47/05/86/1169470586.db2.gz FWALYCDHRSLWDI-UHFFFAOYSA-N 1 2 234.318 2.129 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC001204056488 1169471745 /nfs/dbraw/zinc/47/17/45/1169471745.db2.gz QDGQGEHJGPOSGF-AWEZNQCLSA-N 1 2 244.294 2.151 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC001204056488 1169471750 /nfs/dbraw/zinc/47/17/50/1169471750.db2.gz QDGQGEHJGPOSGF-AWEZNQCLSA-N 1 2 244.294 2.151 20 30 BEEDLO N#CC1CCC([N@H+]2CCCC(=O)[C@@H](F)C2)CC1 ZINC001256964751 971036328 /nfs/dbraw/zinc/03/63/28/971036328.db2.gz CJABSDADKBBOBF-MCIGGMRASA-N 1 2 238.306 2.072 20 30 BEEDLO N#CC1CCC([N@@H+]2CCCC(=O)[C@@H](F)C2)CC1 ZINC001256964751 971036338 /nfs/dbraw/zinc/03/63/38/971036338.db2.gz CJABSDADKBBOBF-MCIGGMRASA-N 1 2 238.306 2.072 20 30 BEEDLO C[C@@H](CCN1CC[NH2+]C[C@H]1C#N)CC(C)(C)C ZINC001210120274 1169519443 /nfs/dbraw/zinc/51/94/43/1169519443.db2.gz BVLGSAMJNAYHIV-QWHCGFSZSA-N 1 2 237.391 2.246 20 30 BEEDLO CCC[C@@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001257316615 971214283 /nfs/dbraw/zinc/21/42/83/971214283.db2.gz GIZWAUZOKJEZIZ-MWLCHTKSSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257316615 971214293 /nfs/dbraw/zinc/21/42/93/971214293.db2.gz GIZWAUZOKJEZIZ-MWLCHTKSSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC[C@@H](C)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257316615 971214299 /nfs/dbraw/zinc/21/42/99/971214299.db2.gz GIZWAUZOKJEZIZ-MWLCHTKSSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC[C@@H](C)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257316615 971214309 /nfs/dbraw/zinc/21/43/09/971214309.db2.gz GIZWAUZOKJEZIZ-MWLCHTKSSA-N 1 2 225.357 2.449 20 30 BEEDLO CC(C)OC1CCC([NH+]2CC(C#N)C2)CC1 ZINC001257878175 971514518 /nfs/dbraw/zinc/51/45/18/971514518.db2.gz NKGXTJIWGOMTHK-UHFFFAOYSA-N 1 2 222.332 2.178 20 30 BEEDLO C#C[C@H](CCCC)Oc1cc(N)cc[nH+]1 ZINC001218353885 971724812 /nfs/dbraw/zinc/72/48/12/971724812.db2.gz NOSXYTBVEDEELS-LLVKDONJSA-N 1 2 204.273 2.235 20 30 BEEDLO CCC[C@@](C)(C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172220992 974454093 /nfs/dbraw/zinc/45/40/93/974454093.db2.gz NNZCFBRREMUXJY-WVMKXHBISA-N 1 2 222.332 2.368 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+][C@H]1CCCOCC1 ZINC001170775600 971800284 /nfs/dbraw/zinc/80/02/84/971800284.db2.gz LZUIQPIFXVSTRW-NWDGAFQWSA-N 1 2 210.321 2.083 20 30 BEEDLO Cc1nnn([NH+]=C[C@@H]2CCC(F)(F)C2)c1C ZINC001330882074 974522112 /nfs/dbraw/zinc/52/21/12/974522112.db2.gz BROIIFUPJFAZEL-SECBINFHSA-N 1 2 228.246 2.164 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1CCCOCC1 ZINC001170800314 971843099 /nfs/dbraw/zinc/84/30/99/971843099.db2.gz YEFTVJJRPZJMIH-VXGBXAGGSA-N 1 2 210.321 2.227 20 30 BEEDLO C#Cc1cccc(C[N@@H+](CC)CC(=O)OCC)c1 ZINC001231661427 1169680417 /nfs/dbraw/zinc/68/04/17/1169680417.db2.gz TXEMQDOIMNGTKJ-UHFFFAOYSA-N 1 2 245.322 2.053 20 30 BEEDLO C#Cc1cccc(C[N@H+](CC)CC(=O)OCC)c1 ZINC001231661427 1169680422 /nfs/dbraw/zinc/68/04/22/1169680422.db2.gz TXEMQDOIMNGTKJ-UHFFFAOYSA-N 1 2 245.322 2.053 20 30 BEEDLO SCCCNc1c[nH+]c2c(c1)CCC2 ZINC001171002401 972226159 /nfs/dbraw/zinc/22/61/59/972226159.db2.gz LOJADWOULZCJBR-UHFFFAOYSA-N 1 2 208.330 2.302 20 30 BEEDLO CSc1cc(NCCCS)nc(C)[nH+]1 ZINC001170999521 972223464 /nfs/dbraw/zinc/22/34/64/972223464.db2.gz HJSUYZYTFWTTDK-UHFFFAOYSA-N 1 2 229.374 2.239 20 30 BEEDLO C[C@@H](C[N@@H+]1CCC[C@H](C#N)C1)C(F)(F)F ZINC001208906094 957239945 /nfs/dbraw/zinc/23/99/45/957239945.db2.gz SQKUPIXILOVUBF-DTWKUNHWSA-N 1 2 220.238 2.420 20 30 BEEDLO C[C@@H](C[N@H+]1CCC[C@H](C#N)C1)C(F)(F)F ZINC001208906094 957239960 /nfs/dbraw/zinc/23/99/60/957239960.db2.gz SQKUPIXILOVUBF-DTWKUNHWSA-N 1 2 220.238 2.420 20 30 BEEDLO N#C[C@H](OCCn1cc[nH+]c1)c1cccc(F)c1 ZINC001222138951 972382700 /nfs/dbraw/zinc/38/27/00/972382700.db2.gz MMGPGFLVNFBSIW-ZDUSSCGKSA-N 1 2 245.257 2.304 20 30 BEEDLO C#C[C@@H](OCCn1cc[nH+]c1)c1ccccc1 ZINC001222134830 972384714 /nfs/dbraw/zinc/38/47/14/972384714.db2.gz PODASTMNQGVIIE-CQSZACIVSA-N 1 2 226.279 2.274 20 30 BEEDLO C#C[C@H](OCCn1cc[nH+]c1)c1ccccc1 ZINC001222134829 972385202 /nfs/dbraw/zinc/38/52/02/972385202.db2.gz PODASTMNQGVIIE-AWEZNQCLSA-N 1 2 226.279 2.274 20 30 BEEDLO N#Cc1ccc(F)c(NCc2cc[nH+]c(N)c2)c1 ZINC001167617258 959080953 /nfs/dbraw/zinc/08/09/53/959080953.db2.gz JTFGXZXCQKUHNO-UHFFFAOYSA-N 1 2 242.257 2.287 20 30 BEEDLO C=CCn1cc(-c2cccc3[nH+]ccn32)cn1 ZINC001222391585 972455894 /nfs/dbraw/zinc/45/58/94/972455894.db2.gz UBCDMNTZJXXECB-UHFFFAOYSA-N 1 2 224.267 2.384 20 30 BEEDLO C=CC[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC001144008755 972457894 /nfs/dbraw/zinc/45/78/94/972457894.db2.gz SBLLHNBGEFAMIU-SNVBAGLBSA-N 1 2 229.283 2.485 20 30 BEEDLO C=C(Br)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000690797364 960048695 /nfs/dbraw/zinc/04/86/95/960048695.db2.gz RRSCZPLXPRYBDX-ZJUUUORDSA-N 1 2 246.148 2.006 20 30 BEEDLO C=C(Br)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000690797364 960048682 /nfs/dbraw/zinc/04/86/82/960048682.db2.gz RRSCZPLXPRYBDX-ZJUUUORDSA-N 1 2 246.148 2.006 20 30 BEEDLO C[C@@H]1CC[N@@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140752576 960550246 /nfs/dbraw/zinc/55/02/46/960550246.db2.gz LTDDPYCAVUGYLY-MRVPVSSYSA-N 1 2 222.238 2.431 20 30 BEEDLO C[C@@H]1CC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140752576 960550252 /nfs/dbraw/zinc/55/02/52/960550252.db2.gz LTDDPYCAVUGYLY-MRVPVSSYSA-N 1 2 222.238 2.431 20 30 BEEDLO N#C[C@H]1CCCN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141045939 960834628 /nfs/dbraw/zinc/83/46/28/960834628.db2.gz GNDRZLYZHBYAEN-CYBMUJFWSA-N 1 2 240.310 2.070 20 30 BEEDLO CSc1nc(C[N@@H+]2CC[C@@H]2C)ccc1C#N ZINC001141931551 961181737 /nfs/dbraw/zinc/18/17/37/961181737.db2.gz CZSMLNWRLWWZBS-VIFPVBQESA-N 1 2 233.340 2.269 20 30 BEEDLO CSc1nc(C[N@H+]2CC[C@@H]2C)ccc1C#N ZINC001141931551 961181753 /nfs/dbraw/zinc/18/17/53/961181753.db2.gz CZSMLNWRLWWZBS-VIFPVBQESA-N 1 2 233.340 2.269 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000840729578 961195960 /nfs/dbraw/zinc/19/59/60/961195960.db2.gz NKSITLJWABMSOQ-VIFPVBQESA-N 1 2 225.723 2.232 20 30 BEEDLO C#C[C@H](C)Nc1cc(C(C)C)[nH+]c(C)n1 ZINC000709828118 961673564 /nfs/dbraw/zinc/67/35/64/961673564.db2.gz QJLWWCDKCIYDOI-VIFPVBQESA-N 1 2 203.289 2.342 20 30 BEEDLO C#CCCCNc1cc(C)[nH+]c(SC)n1 ZINC001155010957 962941259 /nfs/dbraw/zinc/94/12/59/962941259.db2.gz YNIZHKRSNOBXDO-UHFFFAOYSA-N 1 2 221.329 2.332 20 30 BEEDLO Cc1cnccc1CNc1cc(CC#N)cc[nH+]1 ZINC001155219746 963027450 /nfs/dbraw/zinc/02/74/50/963027450.db2.gz KCCMUPBQSKLNRM-UHFFFAOYSA-N 1 2 238.294 2.463 20 30 BEEDLO COc1cc[nH+]c(NC2=CC(=O)CCC2)c1 ZINC001155702955 963158885 /nfs/dbraw/zinc/15/88/85/963158885.db2.gz DASYMIBOXVBBLK-UHFFFAOYSA-N 1 2 218.256 2.139 20 30 BEEDLO C#CCN(CC#C)c1ccc(C(C)C)c[nH+]1 ZINC001157561245 963663277 /nfs/dbraw/zinc/66/32/77/963663277.db2.gz VUQPZIVBVCGACE-UHFFFAOYSA-N 1 2 212.296 2.278 20 30 BEEDLO CC(C)C[C@](C)(C#N)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168100868 963709246 /nfs/dbraw/zinc/70/92/46/963709246.db2.gz FPCNUHMFMZTAIQ-YNEHKIRRSA-N 1 2 224.348 2.472 20 30 BEEDLO CN(CC(F)F)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001158927254 963960136 /nfs/dbraw/zinc/96/01/36/963960136.db2.gz YGJADQPJYXVRCR-UHFFFAOYSA-N 1 2 236.225 2.136 20 30 BEEDLO C#C[C@H](C)Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC001163161681 965279405 /nfs/dbraw/zinc/27/94/05/965279405.db2.gz SXTHGIJLOSTNFT-NEPJUHHUSA-N 1 2 244.342 2.147 20 30 BEEDLO C#C[C@H](C)Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC001163161681 965279417 /nfs/dbraw/zinc/27/94/17/965279417.db2.gz SXTHGIJLOSTNFT-NEPJUHHUSA-N 1 2 244.342 2.147 20 30 BEEDLO C=C(C)CNc1ccc2c([nH+]1)CCOC2 ZINC001163374339 965379890 /nfs/dbraw/zinc/37/98/90/965379890.db2.gz QZPKXRRLNQJCFW-UHFFFAOYSA-N 1 2 204.273 2.142 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C[C@H]1F ZINC001232674046 965391910 /nfs/dbraw/zinc/39/19/10/965391910.db2.gz QRZDYXYXZYBLAK-ZWNOBZJWSA-N 1 2 248.301 2.444 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@H]1F ZINC001232674046 965391924 /nfs/dbraw/zinc/39/19/24/965391924.db2.gz QRZDYXYXZYBLAK-ZWNOBZJWSA-N 1 2 248.301 2.444 20 30 BEEDLO C[C@H](Nc1cc(CC#N)cc[nH+]1)[C@@H]1CCCO1 ZINC001163480401 965416165 /nfs/dbraw/zinc/41/61/65/965416165.db2.gz NGGVLCSVWZRLLR-JQWIXIFHSA-N 1 2 231.299 2.127 20 30 BEEDLO N#CCCCCNc1ccn2cc[nH+]c2c1 ZINC001168429422 965475037 /nfs/dbraw/zinc/47/50/37/965475037.db2.gz QTFGVHXXDBRZKI-UHFFFAOYSA-N 1 2 214.272 2.440 20 30 BEEDLO CN(C)c1ccc(NCCCCC#N)[nH+]c1 ZINC001168433694 965501424 /nfs/dbraw/zinc/50/14/24/965501424.db2.gz HJORDBSFEJRWLA-UHFFFAOYSA-N 1 2 218.304 2.253 20 30 BEEDLO N#CCc1cc[nH+]c(N2CC3(C2)CC(F)(F)C3)c1 ZINC001163747301 965564130 /nfs/dbraw/zinc/56/41/30/965564130.db2.gz QJTJIIJMMPVBDZ-UHFFFAOYSA-N 1 2 249.264 2.383 20 30 BEEDLO C#Cc1cccnc1Nc1ccc(NC)[nH+]c1 ZINC001203448569 966647220 /nfs/dbraw/zinc/64/72/20/966647220.db2.gz ATDCFSIWOBKCRX-UHFFFAOYSA-N 1 2 224.267 2.243 20 30 BEEDLO CNc1ccc(Nc2cc(F)cnc2C#N)c[nH+]1 ZINC001203452633 966657883 /nfs/dbraw/zinc/65/78/83/966657883.db2.gz RABGTBCXQQBABV-UHFFFAOYSA-N 1 2 243.245 2.273 20 30 BEEDLO COc1ccc(C)c(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001237711870 966693077 /nfs/dbraw/zinc/69/30/77/966693077.db2.gz WRAFEGAEQIUJFX-GFCCVEGCSA-N 1 2 230.311 2.349 20 30 BEEDLO COc1ccc(C)c(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001237711870 966693081 /nfs/dbraw/zinc/69/30/81/966693081.db2.gz WRAFEGAEQIUJFX-GFCCVEGCSA-N 1 2 230.311 2.349 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)c1 ZINC001203757342 966770406 /nfs/dbraw/zinc/77/04/06/966770406.db2.gz LVBRKWGYESDQCG-ZDUSSCGKSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1cccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)c1 ZINC001203757342 966770413 /nfs/dbraw/zinc/77/04/13/966770413.db2.gz LVBRKWGYESDQCG-ZDUSSCGKSA-N 1 2 246.285 2.061 20 30 BEEDLO Cc1ccc(Nc2cnc(C#N)cn2)c(C)[nH+]1 ZINC000094666184 967061022 /nfs/dbraw/zinc/06/10/22/967061022.db2.gz UFPXMUWPOCQOOP-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO C#Cc1cc(Nc2cc(F)cc(F)c2O)cc[nH+]1 ZINC001212478078 967483380 /nfs/dbraw/zinc/48/33/80/967483380.db2.gz SZXVFJGWTLWLPZ-UHFFFAOYSA-N 1 2 246.216 2.212 20 30 BEEDLO COc1ccc(C#N)cc1CCn1cc[nH+]c1 ZINC001250316326 967678487 /nfs/dbraw/zinc/67/84/87/967678487.db2.gz IZWZGSSTMYDYPW-UHFFFAOYSA-N 1 2 227.267 2.006 20 30 BEEDLO C[C@H](C#N)[N@H+](C)C[C@H]1CCOC(C)(C)C1 ZINC001207365545 968742994 /nfs/dbraw/zinc/74/29/94/968742994.db2.gz MAGIVTKFJFWIPN-MNOVXSKESA-N 1 2 210.321 2.035 20 30 BEEDLO C[C@H](C#N)[N@@H+](C)C[C@H]1CCOC(C)(C)C1 ZINC001207365545 968742996 /nfs/dbraw/zinc/74/29/96/968742996.db2.gz MAGIVTKFJFWIPN-MNOVXSKESA-N 1 2 210.321 2.035 20 30 BEEDLO C=CCC[C@@H](O)CNc1ccc([NH+](C)C)cc1 ZINC001252586218 968841149 /nfs/dbraw/zinc/84/11/49/968841149.db2.gz DMBJDMSBQMHIIR-CQSZACIVSA-N 1 2 234.343 2.492 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+](C)CC(=O)c1ccccc1 ZINC001252601982 968859341 /nfs/dbraw/zinc/85/93/41/968859341.db2.gz HXZXJVQTSUBSOM-CQSZACIVSA-N 1 2 247.338 2.128 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+](C)CC(=O)c1ccccc1 ZINC001252601982 968859345 /nfs/dbraw/zinc/85/93/45/968859345.db2.gz HXZXJVQTSUBSOM-CQSZACIVSA-N 1 2 247.338 2.128 20 30 BEEDLO N#Cc1cc(-c2cccc3[nH+]ccn32)ccn1 ZINC001241188812 968951261 /nfs/dbraw/zinc/95/12/61/968951261.db2.gz CXMCHNAXLJTFTG-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO COc1ccc(-c2[nH]cc[nH+]2)c(CC#N)c1 ZINC001242017787 969171134 /nfs/dbraw/zinc/17/11/34/969171134.db2.gz WUJMNNVVWQDEPD-UHFFFAOYSA-N 1 2 213.240 2.151 20 30 BEEDLO C=C[C@H](O)CNc1cc2ccccc2c[nH+]1 ZINC001253568399 969239910 /nfs/dbraw/zinc/23/99/10/969239910.db2.gz GBAKBLHXXHQXHK-LBPRGKRZSA-N 1 2 214.268 2.194 20 30 BEEDLO C=C[C@@H](O)CNc1ccc(N2CCCCC2)[nH+]c1 ZINC001253569092 969240874 /nfs/dbraw/zinc/24/08/74/969240874.db2.gz SEDLBUFOZVHDNK-CYBMUJFWSA-N 1 2 247.342 2.031 20 30 BEEDLO C=C[C@H](O)C[N@H+](C)Cc1csc(C(C)C)n1 ZINC001253585437 969270066 /nfs/dbraw/zinc/27/00/66/969270066.db2.gz XMXGRCDAMHUWCG-NSHDSACASA-N 1 2 240.372 2.245 20 30 BEEDLO C=C[C@H](O)C[N@@H+](C)Cc1csc(C(C)C)n1 ZINC001253585437 969270056 /nfs/dbraw/zinc/27/00/56/969270056.db2.gz XMXGRCDAMHUWCG-NSHDSACASA-N 1 2 240.372 2.245 20 30 BEEDLO C[C@H](C[N@@H+]1CC[C@@H](C#N)C1)C(F)(F)F ZINC001208905341 969295444 /nfs/dbraw/zinc/29/54/44/969295444.db2.gz NOCHKKTVKOUYCE-SFYZADRCSA-N 1 2 206.211 2.030 20 30 BEEDLO C[C@H](C[N@H+]1CC[C@@H](C#N)C1)C(F)(F)F ZINC001208905341 969295447 /nfs/dbraw/zinc/29/54/47/969295447.db2.gz NOCHKKTVKOUYCE-SFYZADRCSA-N 1 2 206.211 2.030 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168999772 969325540 /nfs/dbraw/zinc/32/55/40/969325540.db2.gz VMMLCFZCEXOFHT-SDDRHHMPSA-N 1 2 239.319 2.104 20 30 BEEDLO C=CCCCC[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209200244 969385667 /nfs/dbraw/zinc/38/56/67/969385667.db2.gz FFZPYFVLOHFEGL-NSHDSACASA-N 1 2 213.296 2.346 20 30 BEEDLO C=CCCCC[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001209200244 969385669 /nfs/dbraw/zinc/38/56/69/969385669.db2.gz FFZPYFVLOHFEGL-NSHDSACASA-N 1 2 213.296 2.346 20 30 BEEDLO C[C@@H](C#N)[N@H+](C)CC1Cc2ccccc2C1 ZINC001209323035 969442441 /nfs/dbraw/zinc/44/24/41/969442441.db2.gz LDCACYPHVKOPID-NSHDSACASA-N 1 2 214.312 2.245 20 30 BEEDLO C[C@@H](C#N)[N@@H+](C)CC1Cc2ccccc2C1 ZINC001209323035 969442449 /nfs/dbraw/zinc/44/24/49/969442449.db2.gz LDCACYPHVKOPID-NSHDSACASA-N 1 2 214.312 2.245 20 30 BEEDLO C#Cc1cc(Nc2ccccc2N(C)C)cc[nH+]1 ZINC001209989070 969751303 /nfs/dbraw/zinc/75/13/03/969751303.db2.gz OPYKWWHNWJBHMO-UHFFFAOYSA-N 1 2 237.306 2.294 20 30 BEEDLO Cc1nc2c(o1)CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254678795 969783033 /nfs/dbraw/zinc/78/30/33/969783033.db2.gz HPPVQDDONLEBTE-WDEREUQCSA-N 1 2 231.299 2.033 20 30 BEEDLO Cc1nc2c(o1)CC[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254678795 969783037 /nfs/dbraw/zinc/78/30/37/969783037.db2.gz HPPVQDDONLEBTE-WDEREUQCSA-N 1 2 231.299 2.033 20 30 BEEDLO Cc1nc2c(o1)CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254678792 969783432 /nfs/dbraw/zinc/78/34/32/969783432.db2.gz HPPVQDDONLEBTE-MNOVXSKESA-N 1 2 231.299 2.033 20 30 BEEDLO Cc1nc2c(o1)CC[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254678792 969783437 /nfs/dbraw/zinc/78/34/37/969783437.db2.gz HPPVQDDONLEBTE-MNOVXSKESA-N 1 2 231.299 2.033 20 30 BEEDLO Cc1nc2c(o1)CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254678791 969784099 /nfs/dbraw/zinc/78/40/99/969784099.db2.gz HPPVQDDONLEBTE-GHMZBOCLSA-N 1 2 231.299 2.033 20 30 BEEDLO Cc1nc2c(o1)CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254678791 969784104 /nfs/dbraw/zinc/78/41/04/969784104.db2.gz HPPVQDDONLEBTE-GHMZBOCLSA-N 1 2 231.299 2.033 20 30 BEEDLO N#CCC1(O)C[NH+](CC/C=C\c2ccccc2)C1 ZINC001169629905 969791272 /nfs/dbraw/zinc/79/12/72/969791272.db2.gz RQHQDSMTHYLSLV-YWEYNIOJSA-N 1 2 242.322 2.050 20 30 BEEDLO Cc1[nH+]c2ccc(N)cc2n1-c1cncc(C#N)c1 ZINC001210086288 969794704 /nfs/dbraw/zinc/79/47/04/969794704.db2.gz YYEMJQIBMGJYHB-UHFFFAOYSA-N 1 2 249.277 2.183 20 30 BEEDLO C#Cc1ccc(N(C)c2[nH+]cccc2N)cc1 ZINC001210113452 969803797 /nfs/dbraw/zinc/80/37/97/969803797.db2.gz NNVOXYHKVRSTRE-UHFFFAOYSA-N 1 2 223.279 2.413 20 30 BEEDLO C#C[C@](C)(CC)Nc1ccc(NC)[nH+]c1 ZINC001169701110 969825810 /nfs/dbraw/zinc/82/58/10/969825810.db2.gz BDCMGPUZHCOJMB-GFCCVEGCSA-N 1 2 203.289 2.337 20 30 BEEDLO CCC[C@@](C)(C#N)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254938895 969829147 /nfs/dbraw/zinc/82/91/47/969829147.db2.gz LMHGUXPQOFQQCT-SFTQSGBHSA-N 1 2 234.343 2.416 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254938894 969830627 /nfs/dbraw/zinc/83/06/27/969830627.db2.gz LMHGUXPQOFQQCT-OWTLIXCDSA-N 1 2 234.343 2.416 20 30 BEEDLO C=CCC[C@H](CC)OCC[NH+]1CCOCC1 ZINC001210225279 969837003 /nfs/dbraw/zinc/83/70/03/969837003.db2.gz PXEJUHVHNFHAKK-ZDUSSCGKSA-N 1 2 227.348 2.080 20 30 BEEDLO Cc1cnc(C#N)c(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210287307 969855290 /nfs/dbraw/zinc/85/52/90/969855290.db2.gz QNHATWYKXMHRSA-UHFFFAOYSA-N 1 2 239.282 2.291 20 30 BEEDLO Cc1coc(Nc2c[nH+]c(C)c(N)c2)c1C#N ZINC001210287838 969856166 /nfs/dbraw/zinc/85/61/66/969856166.db2.gz CDAXAOXTSHTRPX-UHFFFAOYSA-N 1 2 228.255 2.489 20 30 BEEDLO CC[C@@H](CC#N)[N@H+]1CCOC[C@@H]1C(C)C ZINC001255173330 969984298 /nfs/dbraw/zinc/98/42/98/969984298.db2.gz KLSOIUTVDWJHOW-NWDGAFQWSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[C@@H](CC#N)[N@@H+]1CCOC[C@@H]1C(C)C ZINC001255173330 969984291 /nfs/dbraw/zinc/98/42/91/969984291.db2.gz KLSOIUTVDWJHOW-NWDGAFQWSA-N 1 2 210.321 2.035 20 30 BEEDLO CCOC(=O)C1CCC([NH2+][C@H](C#N)CC)CC1 ZINC001255253202 970015762 /nfs/dbraw/zinc/01/57/62/970015762.db2.gz GCFGULGHCNVUBH-CXQJBGSLSA-N 1 2 238.331 2.000 20 30 BEEDLO COc1cc(Nc2cccc(C#N)n2)cc(C)[nH+]1 ZINC001210775227 970028761 /nfs/dbraw/zinc/02/87/61/970028761.db2.gz UEBPFXOZKNBSMQ-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO C#Cc1cc(Nc2ccc(C#N)c(C)c2)cc[nH+]1 ZINC001210803448 970045386 /nfs/dbraw/zinc/04/53/86/970045386.db2.gz QTEQAEWEBWKOQT-UHFFFAOYSA-N 1 2 233.274 2.409 20 30 BEEDLO N#CC1(c2ccc(NC=[NH2+])nc2)CCC1 ZINC001157078950 970081924 /nfs/dbraw/zinc/08/19/24/970081924.db2.gz SZZXWLHLNXVPLF-UHFFFAOYSA-N 1 2 200.245 2.046 20 30 BEEDLO Cc1[nH]c2ccc(-n3ccc(C#N)c3N)cc2[nH+]1 ZINC001213072331 970274439 /nfs/dbraw/zinc/27/44/39/970274439.db2.gz NZTSBHAPDBJJIO-UHFFFAOYSA-N 1 2 237.266 2.116 20 30 BEEDLO Cc1cc(O)c[nH+]c1Nc1ccc(N)c(C#N)c1 ZINC001213427045 970312100 /nfs/dbraw/zinc/31/21/00/970312100.db2.gz KLZAEYUPWQTOFJ-UHFFFAOYSA-N 1 2 240.266 2.293 20 30 BEEDLO COc1cc[nH+]cc1Nc1ccc(N)c(C#N)c1 ZINC001213429463 970312771 /nfs/dbraw/zinc/31/27/71/970312771.db2.gz KZGMGQBDLSNAPI-UHFFFAOYSA-N 1 2 240.266 2.288 20 30 BEEDLO Cc1c[nH+]cc(Nc2oncc2C#N)c1C ZINC001213525055 970346132 /nfs/dbraw/zinc/34/61/32/970346132.db2.gz MISVHZBRZDUWFJ-UHFFFAOYSA-N 1 2 214.228 2.302 20 30 BEEDLO C#Cc1cc(Nc2ccc(Cl)cc2N)cc[nH+]1 ZINC001213644232 970369441 /nfs/dbraw/zinc/36/94/41/970369441.db2.gz OQPGXLPQUMSJKJ-UHFFFAOYSA-N 1 2 243.697 2.464 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)C(C)(C)CCC)CC1 ZINC001113285044 970398527 /nfs/dbraw/zinc/39/85/27/970398527.db2.gz QMSGCBOKXGJKEB-UHFFFAOYSA-N 1 2 238.375 2.143 20 30 BEEDLO Cc1cc(C)[nH+]c(Nc2ccncc2C#N)c1 ZINC001214002573 970409212 /nfs/dbraw/zinc/40/92/12/970409212.db2.gz VYDLZZMZKZRDPP-UHFFFAOYSA-N 1 2 224.267 2.131 20 30 BEEDLO C[C@@H]1CC[C@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170141789 970418920 /nfs/dbraw/zinc/41/89/20/970418920.db2.gz ZSFSNIFYTFFWSV-USWWRNFRSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H]1CC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170141789 970418930 /nfs/dbraw/zinc/41/89/30/970418930.db2.gz ZSFSNIFYTFFWSV-USWWRNFRSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001170141789 970418934 /nfs/dbraw/zinc/41/89/34/970418934.db2.gz ZSFSNIFYTFFWSV-USWWRNFRSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001170141789 970418940 /nfs/dbraw/zinc/41/89/40/970418940.db2.gz ZSFSNIFYTFFWSV-USWWRNFRSA-N 1 2 237.368 2.449 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)CCC(C)(C)C)CC1 ZINC001113447525 970436819 /nfs/dbraw/zinc/43/68/19/970436819.db2.gz BDLSCTQWCIXASJ-UHFFFAOYSA-N 1 2 238.375 2.143 20 30 BEEDLO COc1ccc(Nc2[nH+]cccc2N)cc1C#N ZINC001214993618 970597126 /nfs/dbraw/zinc/59/71/26/970597126.db2.gz MNRXZTJOKOUYBK-UHFFFAOYSA-N 1 2 240.266 2.288 20 30 BEEDLO CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H]2C#N)CCO1 ZINC001170226263 970624197 /nfs/dbraw/zinc/62/41/97/970624197.db2.gz IDWBCQQANHZGFB-JHJVBQTASA-N 1 2 222.332 2.322 20 30 BEEDLO CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H]2C#N)CCO1 ZINC001170226263 970624202 /nfs/dbraw/zinc/62/42/02/970624202.db2.gz IDWBCQQANHZGFB-JHJVBQTASA-N 1 2 222.332 2.322 20 30 BEEDLO CC(C)(S)CNc1[nH+]cnc2[nH]cc(F)c21 ZINC001170301963 970687831 /nfs/dbraw/zinc/68/78/31/970687831.db2.gz LQNSIQNNLINGKH-UHFFFAOYSA-N 1 2 240.307 2.217 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc(O)c1C ZINC001144118975 972590695 /nfs/dbraw/zinc/59/06/95/972590695.db2.gz NNGLTLFRLIWKLF-UHFFFAOYSA-N 1 2 218.300 2.436 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc(O)c1C ZINC001144118975 972590701 /nfs/dbraw/zinc/59/07/01/972590701.db2.gz NNGLTLFRLIWKLF-UHFFFAOYSA-N 1 2 218.300 2.436 20 30 BEEDLO C[C@@H](C#C[Si](C)(C)C)OCc1c[nH+]cn1C ZINC001222599755 972601699 /nfs/dbraw/zinc/60/16/99/972601699.db2.gz FCEBUQYIJWZPJD-NSHDSACASA-N 1 2 236.391 2.206 20 30 BEEDLO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC1(F)F ZINC001171175439 972802059 /nfs/dbraw/zinc/80/20/59/972802059.db2.gz LCOOLPMMMDKUGD-CABZTGNLSA-N 1 2 236.265 2.486 20 30 BEEDLO C[C@@H](CC(=O)OCC1(CC#N)CC1)n1cc[nH+]c1 ZINC000845475796 972828325 /nfs/dbraw/zinc/82/83/25/972828325.db2.gz JCMQOTDAMVTTHR-NSHDSACASA-N 1 2 247.298 2.071 20 30 BEEDLO C=C[C@@H](OC1C[NH+](C)C1)c1ccccc1 ZINC001223308930 972932138 /nfs/dbraw/zinc/93/21/38/972932138.db2.gz MSGDAKBHBHYAMR-CYBMUJFWSA-N 1 2 203.285 2.244 20 30 BEEDLO CC(C)C[C@H](C)C[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001246590878 972988530 /nfs/dbraw/zinc/98/85/30/972988530.db2.gz DMEKIPWYMPSDIQ-MELADBBJSA-N 1 2 237.391 2.245 20 30 BEEDLO Cc1cc(CO[C@@H]2C=CC(=O)C2)cc(C)[nH+]1 ZINC001223425026 973065084 /nfs/dbraw/zinc/06/50/84/973065084.db2.gz PHMDCLBJHDWZEV-CYBMUJFWSA-N 1 2 217.268 2.113 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1NCCF ZINC001328553994 973134879 /nfs/dbraw/zinc/13/48/79/973134879.db2.gz XUUIULJAWYUZNJ-UHFFFAOYSA-N 1 2 222.263 2.255 20 30 BEEDLO CCOC(=[NH2+])CCCCOC1CC(C#N)C1 ZINC001224964963 974108041 /nfs/dbraw/zinc/10/80/41/974108041.db2.gz FNFIJKGREBSPEZ-UHFFFAOYSA-N 1 2 224.304 2.489 20 30 BEEDLO C=CCC(C)(C)CNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001330460583 974268593 /nfs/dbraw/zinc/26/85/93/974268593.db2.gz FDXJOWLAZFYJNC-NSHDSACASA-N 1 2 235.331 2.163 20 30 BEEDLO CC(C)C[C@@H](C#N)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172236759 974496151 /nfs/dbraw/zinc/49/61/51/974496151.db2.gz MWQNBPDZOHHXLT-FOIKRFTLSA-N 1 2 220.316 2.000 20 30 BEEDLO CC[C@H](CC(C)C)[NH2+]C1(C#N)CCOCC1 ZINC001172394252 974747847 /nfs/dbraw/zinc/74/78/47/974747847.db2.gz PONGAFGHONTHMO-GFCCVEGCSA-N 1 2 224.348 2.473 20 30 BEEDLO C[C@@H](CCCC#N)[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001172493657 974842629 /nfs/dbraw/zinc/84/26/29/974842629.db2.gz NIYBXJJLGWBMDJ-WDEREUQCSA-N 1 2 246.301 2.161 20 30 BEEDLO C[C@@H](CCCC#N)[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001172493657 974842633 /nfs/dbraw/zinc/84/26/33/974842633.db2.gz NIYBXJJLGWBMDJ-WDEREUQCSA-N 1 2 246.301 2.161 20 30 BEEDLO CC[C@H](C#N)[NH2+][C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172801276 974954866 /nfs/dbraw/zinc/95/48/66/974954866.db2.gz UGUGDLCECMCBNN-TUAOUCFPSA-N 1 2 238.331 2.000 20 30 BEEDLO CCCC[C@@H](CC(C)C)N1CC[NH2+]C[C@H]1C#N ZINC001173258448 975106187 /nfs/dbraw/zinc/10/61/87/975106187.db2.gz UXQCPJNNLLCRMA-UONOGXRCSA-N 1 2 237.391 2.389 20 30 BEEDLO CC[C@H]1CC[C@@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001173269127 975140561 /nfs/dbraw/zinc/14/05/61/975140561.db2.gz FTACEIUPAHLJGB-NWDGAFQWSA-N 1 2 222.332 2.227 20 30 BEEDLO CC[C@@H]1CC[C@@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001173269129 975140858 /nfs/dbraw/zinc/14/08/58/975140858.db2.gz FTACEIUPAHLJGB-VXGBXAGGSA-N 1 2 222.332 2.227 20 30 BEEDLO C=CC[C@@](C)([NH2+][C@@H](C)CSCC)C(=O)OC ZINC001173297107 975181463 /nfs/dbraw/zinc/18/14/63/975181463.db2.gz BXXPCDNBHIVNBD-CMPLNLGQSA-N 1 2 245.388 2.225 20 30 BEEDLO CC(C)(C#N)[NH2+]C1CCC(CC#N)CC1 ZINC001173324988 975273466 /nfs/dbraw/zinc/27/34/66/975273466.db2.gz BKNRKLAOTDYXGV-UHFFFAOYSA-N 1 2 205.305 2.351 20 30 BEEDLO CC1(C#N)C[NH+](C2CCC(C)(C#N)CC2)C1 ZINC001173592145 975441508 /nfs/dbraw/zinc/44/15/08/975441508.db2.gz IAAVBXYBQYAFIL-UHFFFAOYSA-N 1 2 217.316 2.304 20 30 BEEDLO CC[C@@H](C#N)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173590382 975448380 /nfs/dbraw/zinc/44/83/80/975448380.db2.gz HQGQEKLJIFWNGF-UNXYVOJBSA-N 1 2 205.305 2.351 20 30 BEEDLO C#Cc1cc(Nc2ccc(OC)c(F)c2)cc[nH+]1 ZINC001173862095 975806202 /nfs/dbraw/zinc/80/62/02/975806202.db2.gz LRZBXLWGCHMAKP-UHFFFAOYSA-N 1 2 242.253 2.376 20 30 BEEDLO C#C[C@H](C)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228088140 975898036 /nfs/dbraw/zinc/89/80/36/975898036.db2.gz SKVDNERENGFABI-JTQLQIEISA-N 1 2 229.279 2.071 20 30 BEEDLO C#C[C@H](C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228326188 976122774 /nfs/dbraw/zinc/12/27/74/976122774.db2.gz GOUIWJIXUYMSHS-QMMMGPOBSA-N 1 2 200.241 2.272 20 30 BEEDLO C[C@@]1(C#N)CCC[N@H+](CCc2ccns2)C1 ZINC001334044166 976240637 /nfs/dbraw/zinc/24/06/37/976240637.db2.gz NQGZRQDHZXJQRQ-LBPRGKRZSA-N 1 2 235.356 2.311 20 30 BEEDLO C[C@@]1(C#N)CCC[N@@H+](CCc2ccns2)C1 ZINC001334044166 976240647 /nfs/dbraw/zinc/24/06/47/976240647.db2.gz NQGZRQDHZXJQRQ-LBPRGKRZSA-N 1 2 235.356 2.311 20 30 BEEDLO C#Cc1cc(Nc2ccc(F)cc2OC)cc[nH+]1 ZINC001174128793 976362508 /nfs/dbraw/zinc/36/25/08/976362508.db2.gz WDSSZKNFPXTQGJ-UHFFFAOYSA-N 1 2 242.253 2.376 20 30 BEEDLO C#Cc1cc(Nc2ccc3ncn(C)c3c2)cc[nH+]1 ZINC001174346265 976576257 /nfs/dbraw/zinc/57/62/57/976576257.db2.gz SEJZYEHAXLTROS-UHFFFAOYSA-N 1 2 248.289 2.115 20 30 BEEDLO C/C(=N\O)c1ccccc1OC1C[NH+](C(C)C)C1 ZINC001229736703 976970649 /nfs/dbraw/zinc/97/06/49/976970649.db2.gz ICVUIUVWMIOWOE-RVDMUPIBSA-N 1 2 248.326 2.356 20 30 BEEDLO C#Cc1cc(Nc2ccc(O)c(F)c2)cc[nH+]1 ZINC001174733126 976980133 /nfs/dbraw/zinc/98/01/33/976980133.db2.gz NWTQLEMQNRKPIN-UHFFFAOYSA-N 1 2 228.226 2.073 20 30 BEEDLO C=C(C)CCC(=O)Nc1cc[nH+]c(C)c1 ZINC001335789424 977265857 /nfs/dbraw/zinc/26/58/57/977265857.db2.gz BTSMRSVKHAIHHG-UHFFFAOYSA-N 1 2 204.273 2.107 20 30 BEEDLO C#Cc1cc(Nc2c(F)cc(O)cc2F)cc[nH+]1 ZINC001175094663 977273809 /nfs/dbraw/zinc/27/38/09/977273809.db2.gz LCXGBQXBCZKSRS-UHFFFAOYSA-N 1 2 246.216 2.212 20 30 BEEDLO C#CC[C@@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920900 977385520 /nfs/dbraw/zinc/38/55/20/977385520.db2.gz XFWHIQSRTGVUGB-SNVBAGLBSA-N 1 2 229.279 2.158 20 30 BEEDLO CN(C)c1ccc(Nc2cncc(C#N)c2)c[nH+]1 ZINC001175338995 977388275 /nfs/dbraw/zinc/38/82/75/977388275.db2.gz RZCAHTBNVPAGFL-UHFFFAOYSA-N 1 2 239.282 2.158 20 30 BEEDLO C#C[C@H](C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231084135 977468270 /nfs/dbraw/zinc/46/82/70/977468270.db2.gz XPEOVVKHIYSGMV-JTQLQIEISA-N 1 2 212.252 2.477 20 30 BEEDLO C#Cc1cccc(C[N@@H+](CC)[C@@H](C)C(=O)OC)c1 ZINC001231664745 977680642 /nfs/dbraw/zinc/68/06/42/977680642.db2.gz WEUHCSXTYIUQTJ-LBPRGKRZSA-N 1 2 245.322 2.051 20 30 BEEDLO C#Cc1cccc(C[N@H+](CC)[C@@H](C)C(=O)OC)c1 ZINC001231664745 977680647 /nfs/dbraw/zinc/68/06/47/977680647.db2.gz WEUHCSXTYIUQTJ-LBPRGKRZSA-N 1 2 245.322 2.051 20 30 BEEDLO COc1cc[nH+]cc1Nc1cc(C#N)ccn1 ZINC001176118054 977943526 /nfs/dbraw/zinc/94/35/26/977943526.db2.gz AIORHWALQUZNFQ-UHFFFAOYSA-N 1 2 226.239 2.100 20 30 BEEDLO COc1cc[nH+]cc1Nc1ncccc1C#N ZINC001176116715 977945391 /nfs/dbraw/zinc/94/53/91/977945391.db2.gz JRIMUZOSKLWZHI-UHFFFAOYSA-N 1 2 226.239 2.100 20 30 BEEDLO C#Cc1cc(Nc2ccc3c(c2)CCC3=O)cc[nH+]1 ZINC001176232150 978003120 /nfs/dbraw/zinc/00/31/20/978003120.db2.gz DBAPAPBWWMDZOD-UHFFFAOYSA-N 1 2 248.285 2.357 20 30 BEEDLO COc1cccc(C)c1C[N@@H+]1CC[C@H](C#N)C1 ZINC001232625012 978198625 /nfs/dbraw/zinc/19/86/25/978198625.db2.gz JTEGUIHMCZJKRE-GFCCVEGCSA-N 1 2 230.311 2.349 20 30 BEEDLO COc1cccc(C)c1C[N@H+]1CC[C@H](C#N)C1 ZINC001232625012 978198630 /nfs/dbraw/zinc/19/86/30/978198630.db2.gz JTEGUIHMCZJKRE-GFCCVEGCSA-N 1 2 230.311 2.349 20 30 BEEDLO CNc1ccccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001232673260 978231589 /nfs/dbraw/zinc/23/15/89/978231589.db2.gz WQCSLYQKWPFURF-GFCCVEGCSA-N 1 2 229.327 2.464 20 30 BEEDLO CNc1ccccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC001232673260 978231596 /nfs/dbraw/zinc/23/15/96/978231596.db2.gz WQCSLYQKWPFURF-GFCCVEGCSA-N 1 2 229.327 2.464 20 30 BEEDLO C[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674298 978238482 /nfs/dbraw/zinc/23/84/82/978238482.db2.gz VKHNLEGESGOIGN-LLVKDONJSA-N 1 2 230.311 2.496 20 30 BEEDLO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674298 978238493 /nfs/dbraw/zinc/23/84/93/978238493.db2.gz VKHNLEGESGOIGN-LLVKDONJSA-N 1 2 230.311 2.496 20 30 BEEDLO CC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232893633 978332713 /nfs/dbraw/zinc/33/27/13/978332713.db2.gz GVXGQMPDBPZJND-LBPRGKRZSA-N 1 2 246.285 2.108 20 30 BEEDLO CC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001232893633 978332722 /nfs/dbraw/zinc/33/27/22/978332722.db2.gz GVXGQMPDBPZJND-LBPRGKRZSA-N 1 2 246.285 2.108 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC(=O)C[C@H]1C ZINC001233080331 978463141 /nfs/dbraw/zinc/46/31/41/978463141.db2.gz JBRBVEXQJGQZIC-GFCCVEGCSA-N 1 2 242.322 2.420 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC(=O)C[C@H]1C ZINC001233080331 978463152 /nfs/dbraw/zinc/46/31/52/978463152.db2.gz JBRBVEXQJGQZIC-GFCCVEGCSA-N 1 2 242.322 2.420 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1O ZINC001233234844 978504956 /nfs/dbraw/zinc/50/49/56/978504956.db2.gz FVUNQCSKOWPCGO-AWEZNQCLSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1O ZINC001233234844 978504966 /nfs/dbraw/zinc/50/49/66/978504966.db2.gz FVUNQCSKOWPCGO-AWEZNQCLSA-N 1 2 230.311 2.436 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2cccc3c2CCO3)C1 ZINC001233276924 978523896 /nfs/dbraw/zinc/52/38/96/978523896.db2.gz GTZRICOCMNZADQ-GFCCVEGCSA-N 1 2 242.322 2.357 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc3c2CCO3)C1 ZINC001233276924 978523901 /nfs/dbraw/zinc/52/39/01/978523901.db2.gz GTZRICOCMNZADQ-GFCCVEGCSA-N 1 2 242.322 2.357 20 30 BEEDLO C=CCn1cnn(C[N@@H+](C)CC(C)C)c1=S ZINC001337929857 978567377 /nfs/dbraw/zinc/56/73/77/978567377.db2.gz PTFSNPRKPODCLV-UHFFFAOYSA-N 1 2 240.376 2.145 20 30 BEEDLO C=CCn1cnn(C[N@H+](C)CC(C)C)c1=S ZINC001337929857 978567388 /nfs/dbraw/zinc/56/73/88/978567388.db2.gz PTFSNPRKPODCLV-UHFFFAOYSA-N 1 2 240.376 2.145 20 30 BEEDLO C=CC[C@H]1CCCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001331247414 978810483 /nfs/dbraw/zinc/81/04/83/978810483.db2.gz MHUKIYVVJUYOAU-STQMWFEESA-N 1 2 247.342 2.259 20 30 BEEDLO CCOC(=[NH2+])c1ccc(O[C@H]2C=CC(=O)C2)cc1 ZINC001234589272 978864220 /nfs/dbraw/zinc/86/42/20/978864220.db2.gz ZAEAEEOAPDDSOS-ZDUSSCGKSA-N 1 2 245.278 2.325 20 30 BEEDLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccccc1CC#N ZINC001235512888 979066094 /nfs/dbraw/zinc/06/60/94/979066094.db2.gz XENQYJPQWPNBRY-GFCCVEGCSA-N 1 2 242.322 2.306 20 30 BEEDLO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccccc1CC#N ZINC001235512888 979066108 /nfs/dbraw/zinc/06/61/08/979066108.db2.gz XENQYJPQWPNBRY-GFCCVEGCSA-N 1 2 242.322 2.306 20 30 BEEDLO Nc1ccc(-c2cccc(/C=N/O)c2)c[nH+]1 ZINC001236313675 979524945 /nfs/dbraw/zinc/52/49/45/979524945.db2.gz VDWIWSWGONUXAQ-VIZOYTHASA-N 1 2 213.240 2.139 20 30 BEEDLO COc1cc(-c2ccc(N)[nH+]c2)ccc1CC#N ZINC001236313706 979525846 /nfs/dbraw/zinc/52/58/46/979525846.db2.gz XKZGCFHAOYGUPW-UHFFFAOYSA-N 1 2 239.278 2.405 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(OC)c(F)cc1F ZINC001236829869 979745603 /nfs/dbraw/zinc/74/56/03/979745603.db2.gz CXTZZRVNBVNMTB-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(OC)c(F)cc1F ZINC001236829869 979745614 /nfs/dbraw/zinc/74/56/14/979745614.db2.gz CXTZZRVNBVNMTB-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO CCOc1ccc(C[N@H+](C)CCC#N)c(O)c1 ZINC001237046115 979807321 /nfs/dbraw/zinc/80/73/21/979807321.db2.gz XUFQZGMRHCVOCY-UHFFFAOYSA-N 1 2 234.299 2.136 20 30 BEEDLO CCOc1ccc(C[N@@H+](C)CCC#N)c(O)c1 ZINC001237046115 979807323 /nfs/dbraw/zinc/80/73/23/979807323.db2.gz XUFQZGMRHCVOCY-UHFFFAOYSA-N 1 2 234.299 2.136 20 30 BEEDLO Cc1ccc(O)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001238112442 980161801 /nfs/dbraw/zinc/16/18/01/980161801.db2.gz ZKZJVALHTBJUMR-CQSZACIVSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1ccc(O)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001238112442 980161803 /nfs/dbraw/zinc/16/18/03/980161803.db2.gz ZKZJVALHTBJUMR-CQSZACIVSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1ccc(O)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001238112440 980162393 /nfs/dbraw/zinc/16/23/93/980162393.db2.gz ZKZJVALHTBJUMR-AWEZNQCLSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1ccc(O)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001238112440 980162400 /nfs/dbraw/zinc/16/24/00/980162400.db2.gz ZKZJVALHTBJUMR-AWEZNQCLSA-N 1 2 230.311 2.436 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cncc(C2CC2)c1 ZINC001238196190 980223495 /nfs/dbraw/zinc/22/34/95/980223495.db2.gz WTNFCYVZTBXMTM-UHFFFAOYSA-N 1 2 224.307 2.027 20 30 BEEDLO CCc1cc(C[N@@H+]2CCOC[C@H]2C)ccc1C#N ZINC001238767438 980320685 /nfs/dbraw/zinc/32/06/85/980320685.db2.gz VGAKKGIFARIMPK-GFCCVEGCSA-N 1 2 244.338 2.341 20 30 BEEDLO CCc1cc(C[N@H+]2CCOC[C@H]2C)ccc1C#N ZINC001238767438 980320690 /nfs/dbraw/zinc/32/06/90/980320690.db2.gz VGAKKGIFARIMPK-GFCCVEGCSA-N 1 2 244.338 2.341 20 30 BEEDLO CCc1cc(C[N@@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC001238767705 980322891 /nfs/dbraw/zinc/32/28/91/980322891.db2.gz YTTKPJHLEWJJIN-LBPRGKRZSA-N 1 2 244.338 2.341 20 30 BEEDLO CCc1cc(C[N@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC001238767705 980322894 /nfs/dbraw/zinc/32/28/94/980322894.db2.gz YTTKPJHLEWJJIN-LBPRGKRZSA-N 1 2 244.338 2.341 20 30 BEEDLO Cn1c[nH+]cc1/C=C/c1ccc(C#N)cc1 ZINC001239292514 980521468 /nfs/dbraw/zinc/52/14/68/980521468.db2.gz WLQWUMFPYFARFD-VOTSOKGWSA-N 1 2 209.252 2.462 20 30 BEEDLO N#CCOc1ccccc1CCn1cc[nH+]c1 ZINC001250318648 980759135 /nfs/dbraw/zinc/75/91/35/980759135.db2.gz ILPZWVBNBBLOKN-UHFFFAOYSA-N 1 2 227.267 2.028 20 30 BEEDLO C=C(CC)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001346394326 980825709 /nfs/dbraw/zinc/82/57/09/980825709.db2.gz IDVKBNCYFJGYDI-UHFFFAOYSA-N 1 2 233.315 2.082 20 30 BEEDLO C=C(CC)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001346394326 980825711 /nfs/dbraw/zinc/82/57/11/980825711.db2.gz IDVKBNCYFJGYDI-UHFFFAOYSA-N 1 2 233.315 2.082 20 30 BEEDLO Cc1nc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)no1 ZINC001347237411 981017515 /nfs/dbraw/zinc/01/75/15/981017515.db2.gz FSQMMCGNQSLWBJ-JMJZKYOTSA-N 1 2 234.303 2.111 20 30 BEEDLO N#CCc1ccnc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240497756 981416970 /nfs/dbraw/zinc/41/69/70/981416970.db2.gz YOIQASLMFYOTRZ-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO N#Cc1c(F)cncc1-c1ccn2cc[nH+]c2c1 ZINC001240510202 981433047 /nfs/dbraw/zinc/43/30/47/981433047.db2.gz FJCRVENZDXWBKU-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO N#CCc1ccncc1-c1ccn2cc[nH+]c2c1 ZINC001240512116 981435495 /nfs/dbraw/zinc/43/54/95/981435495.db2.gz PNGAPVZKOJKCJG-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO C=C(CC)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001349312856 981531445 /nfs/dbraw/zinc/53/14/45/981531445.db2.gz XHTPYEXBGSIHRJ-OLZOCXBDSA-N 1 2 247.342 2.259 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001349403877 981546005 /nfs/dbraw/zinc/54/60/05/981546005.db2.gz MVKNUYZYCRFBMW-GFCCVEGCSA-N 1 2 249.358 2.214 20 30 BEEDLO C=CCOC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001194287097 981700682 /nfs/dbraw/zinc/70/06/82/981700682.db2.gz PURQDNVXJSVKNJ-UHFFFAOYSA-N 1 2 217.228 2.069 20 30 BEEDLO C=CCOC(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001194342831 981778931 /nfs/dbraw/zinc/77/89/31/981778931.db2.gz CMAGSJSWSLWGGR-UHFFFAOYSA-N 1 2 249.314 2.095 20 30 BEEDLO C#Cc1cc(NC=Cc2ccc(C#N)cc2)cc[nH+]1 ZINC001203299004 981964244 /nfs/dbraw/zinc/96/42/44/981964244.db2.gz VUFDKDKFKXLSET-VQHVLOKHSA-N 1 2 245.285 2.439 20 30 BEEDLO Nc1cc(-c2ccc(/C=N/O)c(F)c2)cc[nH+]1 ZINC001241170139 982315860 /nfs/dbraw/zinc/31/58/60/982315860.db2.gz JWYPTRILANOAEP-FRKPEAEDSA-N 1 2 231.230 2.278 20 30 BEEDLO Cc1cc(N(C)C)[nH+]cc1-c1ncccc1C#N ZINC001241228146 982377020 /nfs/dbraw/zinc/37/70/20/982377020.db2.gz HGBYJNYTHOBLRR-UHFFFAOYSA-N 1 2 238.294 2.390 20 30 BEEDLO C#CC[N@@H+](Cc1nccn1C1CC1)CC1CC1 ZINC001351960539 982416510 /nfs/dbraw/zinc/41/65/10/982416510.db2.gz IQKRRDJMUMYWMJ-UHFFFAOYSA-N 1 2 229.327 2.063 20 30 BEEDLO C#CC[N@H+](Cc1nccn1C1CC1)CC1CC1 ZINC001351960539 982416520 /nfs/dbraw/zinc/41/65/20/982416520.db2.gz IQKRRDJMUMYWMJ-UHFFFAOYSA-N 1 2 229.327 2.063 20 30 BEEDLO C#CC[N@@H+](Cc1cc(OC)cnc1F)CC1CC1 ZINC001352840312 982596097 /nfs/dbraw/zinc/59/60/97/982596097.db2.gz ZEHWAMBAVKYJTI-UHFFFAOYSA-N 1 2 248.301 2.075 20 30 BEEDLO C#CC[N@H+](Cc1cc(OC)cnc1F)CC1CC1 ZINC001352840312 982596110 /nfs/dbraw/zinc/59/61/10/982596110.db2.gz ZEHWAMBAVKYJTI-UHFFFAOYSA-N 1 2 248.301 2.075 20 30 BEEDLO COc1cc(Nc2ccc(N)[nH+]c2)ccc1C#N ZINC001201285770 983160815 /nfs/dbraw/zinc/16/08/15/983160815.db2.gz PDBOVPGFXWAXSJ-UHFFFAOYSA-N 1 2 240.266 2.288 20 30 BEEDLO Cc1cc(C#N)cc(C#N)c1Nc1ccc(N)[nH+]c1 ZINC001201285883 983161781 /nfs/dbraw/zinc/16/17/81/983161781.db2.gz RNZVLVTYBJIOPC-UHFFFAOYSA-N 1 2 249.277 2.459 20 30 BEEDLO Cc1nsc(Nc2ccc(N)[nH+]c2)c1C#N ZINC001201272432 983172599 /nfs/dbraw/zinc/17/25/99/983172599.db2.gz OGNGMNXKRWFLRQ-UHFFFAOYSA-N 1 2 231.284 2.044 20 30 BEEDLO N#Cc1cc(Nc2ccc(N)[nH+]c2)cs1 ZINC001201278634 983178366 /nfs/dbraw/zinc/17/83/66/983178366.db2.gz DPVNHKFXEGUCLB-UHFFFAOYSA-N 1 2 216.269 2.341 20 30 BEEDLO Cc1ccc(C#N)c(-c2c[nH+]c(N)cc2C)n1 ZINC001242070640 983305097 /nfs/dbraw/zinc/30/50/97/983305097.db2.gz GYWXSYAIYMPYID-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO CC(C)CC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201614951 983376512 /nfs/dbraw/zinc/37/65/12/983376512.db2.gz QEEFNHBBCZRQCN-NSHDSACASA-N 1 2 225.357 2.307 20 30 BEEDLO CC(C)CC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201614951 983376516 /nfs/dbraw/zinc/37/65/16/983376516.db2.gz QEEFNHBBCZRQCN-NSHDSACASA-N 1 2 225.357 2.307 20 30 BEEDLO CSCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201680694 983391580 /nfs/dbraw/zinc/39/15/80/983391580.db2.gz LIFZHYWUHKNRNI-JTQLQIEISA-N 1 2 243.397 2.014 20 30 BEEDLO CSCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201680694 983391588 /nfs/dbraw/zinc/39/15/88/983391588.db2.gz LIFZHYWUHKNRNI-JTQLQIEISA-N 1 2 243.397 2.014 20 30 BEEDLO Cc1cc(-c2cnc(C#N)c(C)c2)c[nH+]c1N ZINC001242356400 983642228 /nfs/dbraw/zinc/64/22/28/983642228.db2.gz VOURNTPQQPMCOX-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO C#CCC[N@H+](CC=C(Cl)Cl)CCOC ZINC000852749571 983758617 /nfs/dbraw/zinc/75/86/17/983758617.db2.gz AFCXQXNIGPXBNJ-UHFFFAOYSA-N 1 2 236.142 2.277 20 30 BEEDLO C#CCC[N@@H+](CC=C(Cl)Cl)CCOC ZINC000852749571 983758622 /nfs/dbraw/zinc/75/86/22/983758622.db2.gz AFCXQXNIGPXBNJ-UHFFFAOYSA-N 1 2 236.142 2.277 20 30 BEEDLO C=C[C@](C)(O)CNc1[nH]c2cc(C)ccc2[nH+]1 ZINC001252542581 983808079 /nfs/dbraw/zinc/80/80/79/983808079.db2.gz GCQKHHGAXIWVME-ZDUSSCGKSA-N 1 2 231.299 2.220 20 30 BEEDLO C=CCC[C@H](O)CNc1cccc2[nH+]ccn21 ZINC001252586582 983836674 /nfs/dbraw/zinc/83/66/74/983836674.db2.gz KBFASGUYDFIHFW-NSHDSACASA-N 1 2 231.299 2.073 20 30 BEEDLO C=C(CC)C[NH2+]Cc1n[nH]cc1Br ZINC001560886100 984010090 /nfs/dbraw/zinc/01/00/90/984010090.db2.gz UQCROGTXVRFJJS-UHFFFAOYSA-N 1 2 244.136 2.228 20 30 BEEDLO Cc1ccc(C2=CC(=O)C[C@@H](C)C2)[nH+]c1N ZINC001242736809 984083994 /nfs/dbraw/zinc/08/39/94/984083994.db2.gz JHDCDFBNALJDAJ-QMMMGPOBSA-N 1 2 216.284 2.355 20 30 BEEDLO CCCC[N@@H+](CC#N)CCC1CCOCC1 ZINC001202664079 984151611 /nfs/dbraw/zinc/15/16/11/984151611.db2.gz IAVWDMJYKARDFN-UHFFFAOYSA-N 1 2 224.348 2.429 20 30 BEEDLO CCCC[N@H+](CC#N)CCC1CCOCC1 ZINC001202664079 984151625 /nfs/dbraw/zinc/15/16/25/984151625.db2.gz IAVWDMJYKARDFN-UHFFFAOYSA-N 1 2 224.348 2.429 20 30 BEEDLO N#CCc1ccccc1-c1ccc[nH+]c1N ZINC001243474955 985029854 /nfs/dbraw/zinc/02/98/54/985029854.db2.gz UUURKGCKPAKLOE-UHFFFAOYSA-N 1 2 209.252 2.397 20 30 BEEDLO COc1c(C#N)c(F)ccc1-c1ccc[nH+]c1N ZINC001243477124 985036915 /nfs/dbraw/zinc/03/69/15/985036915.db2.gz JCFZPBNSQOEWQR-UHFFFAOYSA-N 1 2 243.241 2.350 20 30 BEEDLO CCc1cn(CCOc2cccc(C#N)c2)c[nH+]1 ZINC001459264372 985426997 /nfs/dbraw/zinc/42/69/97/985426997.db2.gz USFSATLAPXVJKM-UHFFFAOYSA-N 1 2 241.294 2.396 20 30 BEEDLO Cc1cc(C)c(C#N)c(C2=C[NH2+]CCC2)n1 ZINC001243947248 985616721 /nfs/dbraw/zinc/61/67/21/985616721.db2.gz GDZZOZSKIMRDDT-UHFFFAOYSA-N 1 2 213.284 2.294 20 30 BEEDLO N#Cc1ccc(-c2ccn3cc(N)[nH+]c3c2)c(N)c1 ZINC001244084812 985800890 /nfs/dbraw/zinc/80/08/90/985800890.db2.gz RUQFBSSMAUEJDC-UHFFFAOYSA-N 1 2 249.277 2.037 20 30 BEEDLO N#Cc1cc(-c2cccn3cc[nH+]c23)ccc1N ZINC001244113081 985820144 /nfs/dbraw/zinc/82/01/44/985820144.db2.gz YKZNVGZRBCEFKC-UHFFFAOYSA-N 1 2 234.262 2.455 20 30 BEEDLO C[C@@H]1C[C@@H]([N@@H+]2CCO[C@@H](C#N)C2)CC(C)(C)C1 ZINC001258700388 986025458 /nfs/dbraw/zinc/02/54/58/986025458.db2.gz MFRAAVHSAZRROM-UPJWGTAASA-N 1 2 236.359 2.426 20 30 BEEDLO C[C@@H]1C[C@@H]([N@H+]2CCO[C@@H](C#N)C2)CC(C)(C)C1 ZINC001258700388 986025468 /nfs/dbraw/zinc/02/54/68/986025468.db2.gz MFRAAVHSAZRROM-UPJWGTAASA-N 1 2 236.359 2.426 20 30 BEEDLO C=CCC[C@H](C)[N@H+](C)Cc1noc(C)n1 ZINC001258724659 986066057 /nfs/dbraw/zinc/06/60/57/986066057.db2.gz BTGCJTQSPWHCIX-VIFPVBQESA-N 1 2 209.293 2.165 20 30 BEEDLO C=CCC[C@H](C)[N@@H+](C)Cc1noc(C)n1 ZINC001258724659 986066078 /nfs/dbraw/zinc/06/60/78/986066078.db2.gz BTGCJTQSPWHCIX-VIFPVBQESA-N 1 2 209.293 2.165 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccnn1-c1ccccc1 ZINC001461725122 986123797 /nfs/dbraw/zinc/12/37/97/986123797.db2.gz TWTLRSHNSKJBNM-GFCCVEGCSA-N 1 2 240.310 2.264 20 30 BEEDLO CCN(CCC#N)Cc1[nH+]c2ccccn2c1C ZINC001137272347 986702786 /nfs/dbraw/zinc/70/27/86/986702786.db2.gz RNTOCLHSGDTQMP-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO C=C/C(=[NH+]\COC)c1ccc(F)c(N)c1C ZINC001245459376 986854851 /nfs/dbraw/zinc/85/48/51/986854851.db2.gz HKEOCLNABABRGY-RVDMUPIBSA-N 1 2 222.263 2.295 20 30 BEEDLO CC[C@H](CC#N)[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001255176261 986870953 /nfs/dbraw/zinc/87/09/53/986870953.db2.gz YUIBDEASRRDARS-VHSXEESVSA-N 1 2 228.336 2.208 20 30 BEEDLO Cc1cc(-c2ccc(C#N)c(C)n2)c[nH+]c1N ZINC001245535737 986911430 /nfs/dbraw/zinc/91/14/30/986911430.db2.gz OAVTWQTXIDGCJX-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO Cc1ccc(-c2c[nH+]c(N)c(C)c2)c(C#N)n1 ZINC001245536240 986914123 /nfs/dbraw/zinc/91/41/23/986914123.db2.gz GVKMAVTWFXYPBW-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO Cc1cc(-c2cnc(F)c(C#N)c2)c[nH+]c1N ZINC001245537995 986917476 /nfs/dbraw/zinc/91/74/76/986917476.db2.gz ISFXUVPTHZYZHJ-UHFFFAOYSA-N 1 2 228.230 2.045 20 30 BEEDLO C=CCC1(c2nnc(C[NH+](C)C)o2)CCC1 ZINC001118139022 988047036 /nfs/dbraw/zinc/04/70/36/988047036.db2.gz ROWFEOTZNDPSKH-UHFFFAOYSA-N 1 2 221.304 2.129 20 30 BEEDLO CCOC1C[NH+](Cc2ccc(C#N)cc2CC)C1 ZINC001248748862 989141970 /nfs/dbraw/zinc/14/19/70/989141970.db2.gz YJMZVRVBPOBWSV-UHFFFAOYSA-N 1 2 244.338 2.341 20 30 BEEDLO C#C[C@H](C)Nc1cc(CC)[nH+]c(CC)n1 ZINC001120038162 989572364 /nfs/dbraw/zinc/57/23/64/989572364.db2.gz ODGALYQAZZGXLF-VIFPVBQESA-N 1 2 203.289 2.035 20 30 BEEDLO O=C1c2ccc(Cl)nc2C/C1=C/c1[nH]cc[nH+]1 ZINC001326691601 989654005 /nfs/dbraw/zinc/65/40/05/989654005.db2.gz ZXRGOWWJPMKAMG-SREVYHEPSA-N 1 2 245.669 2.281 20 30 BEEDLO C#Cc1cccc(NCc2ccc[nH+]c2N)c1 ZINC001308669031 991091755 /nfs/dbraw/zinc/09/17/55/991091755.db2.gz ITVVIVNDZVQSHI-UHFFFAOYSA-N 1 2 223.279 2.257 20 30 BEEDLO COC(=O)[C@H](CS)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC001258274659 991196854 /nfs/dbraw/zinc/19/68/54/991196854.db2.gz RVSONELJUYRCII-ZJUUUORDSA-N 1 2 245.388 2.016 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1F ZINC001139526911 991261436 /nfs/dbraw/zinc/26/14/36/991261436.db2.gz OAMIWOPBHOPJNO-SGMGOOAPSA-N 1 2 248.276 2.487 20 30 BEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1F ZINC001139526911 991261446 /nfs/dbraw/zinc/26/14/46/991261446.db2.gz OAMIWOPBHOPJNO-SGMGOOAPSA-N 1 2 248.276 2.487 20 30 BEEDLO CCOc1ccncc1C[NH+]1CCC(C#N)CC1 ZINC001139627598 991300533 /nfs/dbraw/zinc/30/05/33/991300533.db2.gz VSPLYQRWSMWWAZ-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO C=CC(C)(C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001310675062 991310413 /nfs/dbraw/zinc/31/04/13/991310413.db2.gz MGPZNSKXIPAKSA-UHFFFAOYSA-N 1 2 244.298 2.420 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CCCc1ccccc1C ZINC001559899475 991311871 /nfs/dbraw/zinc/31/18/71/991311871.db2.gz IQDSPSKYAHMNGL-MRXNPFEDSA-N 1 2 243.350 2.262 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CCCc1ccccc1C ZINC001559899475 991311883 /nfs/dbraw/zinc/31/18/83/991311883.db2.gz IQDSPSKYAHMNGL-MRXNPFEDSA-N 1 2 243.350 2.262 20 30 BEEDLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cc1C#N ZINC001139728853 991346277 /nfs/dbraw/zinc/34/62/77/991346277.db2.gz IKRAIDUSDITUEB-HUUCEWRRSA-N 1 2 242.322 2.230 20 30 BEEDLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cc1C#N ZINC001139728853 991346283 /nfs/dbraw/zinc/34/62/83/991346283.db2.gz IKRAIDUSDITUEB-HUUCEWRRSA-N 1 2 242.322 2.230 20 30 BEEDLO C=CCn1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cn1 ZINC001139765776 991360533 /nfs/dbraw/zinc/36/05/33/991360533.db2.gz GAVGJYPVFQGIFQ-DGCLKSJQSA-N 1 2 237.322 2.249 20 30 BEEDLO C=CCn1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cn1 ZINC001139765776 991360538 /nfs/dbraw/zinc/36/05/38/991360538.db2.gz GAVGJYPVFQGIFQ-DGCLKSJQSA-N 1 2 237.322 2.249 20 30 BEEDLO C[C@H](CC1CC1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258460821 991417221 /nfs/dbraw/zinc/41/72/21/991417221.db2.gz LJDSAUHMTWPDNG-BXKDBHETSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@H](CC1CC1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258460821 991417257 /nfs/dbraw/zinc/41/72/57/991417257.db2.gz LJDSAUHMTWPDNG-BXKDBHETSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@H](CC1CC1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258460821 991417263 /nfs/dbraw/zinc/41/72/63/991417263.db2.gz LJDSAUHMTWPDNG-BXKDBHETSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@H](CC1CC1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258460821 991417272 /nfs/dbraw/zinc/41/72/72/991417272.db2.gz LJDSAUHMTWPDNG-BXKDBHETSA-N 1 2 237.368 2.449 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(O)cc1Cl ZINC001140085687 991521564 /nfs/dbraw/zinc/52/15/64/991521564.db2.gz VJSZURHUFUHPBW-UHFFFAOYSA-N 1 2 209.676 2.111 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(O)cc1Cl ZINC001140085687 991521575 /nfs/dbraw/zinc/52/15/75/991521575.db2.gz VJSZURHUFUHPBW-UHFFFAOYSA-N 1 2 209.676 2.111 20 30 BEEDLO N#CC1CC[NH+](Cc2ccc(O)cc2F)CC1 ZINC001140124413 991529735 /nfs/dbraw/zinc/52/97/35/991529735.db2.gz BKCZCOKUOXAIEH-UHFFFAOYSA-N 1 2 234.274 2.267 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cc(C)nc(C)c1 ZINC001560687926 991556704 /nfs/dbraw/zinc/55/67/04/991556704.db2.gz SVABHHIMAYWRTM-UHFFFAOYSA-N 1 2 226.323 2.157 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cc(C)nc(C)c1 ZINC001560687926 991556715 /nfs/dbraw/zinc/55/67/15/991556715.db2.gz SVABHHIMAYWRTM-UHFFFAOYSA-N 1 2 226.323 2.157 20 30 BEEDLO C#Cc1ccc(C[N@@H+](C)Cc2ccn(C)n2)cc1 ZINC001474747257 992146398 /nfs/dbraw/zinc/14/63/98/992146398.db2.gz BOKHBPSCBLVOKY-UHFFFAOYSA-N 1 2 239.322 2.033 20 30 BEEDLO C#Cc1ccc(C[N@H+](C)Cc2ccn(C)n2)cc1 ZINC001474747257 992146400 /nfs/dbraw/zinc/14/64/00/992146400.db2.gz BOKHBPSCBLVOKY-UHFFFAOYSA-N 1 2 239.322 2.033 20 30 BEEDLO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncn[nH]1 ZINC001261640947 992435462 /nfs/dbraw/zinc/43/54/62/992435462.db2.gz RITIAUFRFNPOSS-WDEREUQCSA-N 1 2 220.320 2.029 20 30 BEEDLO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncn[nH]1 ZINC001261640945 992436592 /nfs/dbraw/zinc/43/65/92/992436592.db2.gz RITIAUFRFNPOSS-MNOVXSKESA-N 1 2 220.320 2.029 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001321087360 992451071 /nfs/dbraw/zinc/45/10/71/992451071.db2.gz NYSSYGTYLNOSIV-VXGBXAGGSA-N 1 2 233.315 2.011 20 30 BEEDLO C=CCC[C@@H]1CCCN1c1cc(N(C)C)[nH+]cn1 ZINC001262712095 993052199 /nfs/dbraw/zinc/05/21/99/993052199.db2.gz SKJZRXMSHFCAHB-GFCCVEGCSA-N 1 2 246.358 2.478 20 30 BEEDLO C=CCC[C@@H]1CCCN1c1cc(N(C)C)nc[nH+]1 ZINC001262712095 993052207 /nfs/dbraw/zinc/05/22/07/993052207.db2.gz SKJZRXMSHFCAHB-GFCCVEGCSA-N 1 2 246.358 2.478 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000827649382 994539753 /nfs/dbraw/zinc/53/97/53/994539753.db2.gz JTZSHUDQIPVCRE-ZDUSSCGKSA-N 1 2 234.274 2.267 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000827649382 994539771 /nfs/dbraw/zinc/53/97/71/994539771.db2.gz JTZSHUDQIPVCRE-ZDUSSCGKSA-N 1 2 234.274 2.267 20 30 BEEDLO CC[C@H](C)[C@@H](C)[N@H+]1CCO[C@@](C)(C#N)C1 ZINC001308113421 995558142 /nfs/dbraw/zinc/55/81/42/995558142.db2.gz DVCUDXHZZWARNN-TUAOUCFPSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[C@H](C)[C@@H](C)[N@@H+]1CCO[C@@](C)(C#N)C1 ZINC001308113421 995558133 /nfs/dbraw/zinc/55/81/33/995558133.db2.gz DVCUDXHZZWARNN-TUAOUCFPSA-N 1 2 210.321 2.035 20 30 BEEDLO N#Cc1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC000020585524 1170127156 /nfs/dbraw/zinc/12/71/56/1170127156.db2.gz FXSINWBJMOFLCV-UHFFFAOYSA-N 1 2 210.240 2.279 20 30 BEEDLO C[N@H+](Cc1ccco1)Cc1cccc(C#N)n1 ZINC001621205273 1170740975 /nfs/dbraw/zinc/74/09/75/1170740975.db2.gz DXEYFALVCYWKQV-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C[N@@H+](Cc1ccco1)Cc1cccc(C#N)n1 ZINC001621205273 1170740986 /nfs/dbraw/zinc/74/09/86/1170740986.db2.gz DXEYFALVCYWKQV-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO Cc1nc([C@@H](C)[NH2+]CC2(C#N)CC2)cs1 ZINC000308827762 136208215 /nfs/dbraw/zinc/20/82/15/136208215.db2.gz AOXULTGHLHJEDZ-MRVPVSSYSA-N 1 2 221.329 2.406 20 30 BEEDLO CC(C)CO[NH+]=C(N)COc1ccccc1 ZINC000085259957 136211698 /nfs/dbraw/zinc/21/16/98/136211698.db2.gz YMIXRGCELIHGQS-UHFFFAOYSA-N 1 2 222.288 2.010 20 30 BEEDLO CC(C)[C@H]1CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000335180698 398180097 /nfs/dbraw/zinc/18/00/97/398180097.db2.gz MDXWWWJVIDMOKS-SNVBAGLBSA-N 1 2 221.329 2.245 20 30 BEEDLO CC(C)[C@H]1CC[N@H+]1Cc1nc(C#N)cs1 ZINC000335180698 398180100 /nfs/dbraw/zinc/18/01/00/398180100.db2.gz MDXWWWJVIDMOKS-SNVBAGLBSA-N 1 2 221.329 2.245 20 30 BEEDLO Cc1cc([C@@H]2CCC[N@@H+]2CCC#N)on1 ZINC000052009582 398185840 /nfs/dbraw/zinc/18/58/40/398185840.db2.gz DMZIUMGKTWWJNG-JTQLQIEISA-N 1 2 205.261 2.034 20 30 BEEDLO Cc1cc([C@@H]2CCC[N@H+]2CCC#N)on1 ZINC000052009582 398185841 /nfs/dbraw/zinc/18/58/41/398185841.db2.gz DMZIUMGKTWWJNG-JTQLQIEISA-N 1 2 205.261 2.034 20 30 BEEDLO C=C[C@@H]([NH2+][C@H](CC)C1CCCC1)C(=O)OC ZINC000382805324 398202557 /nfs/dbraw/zinc/20/25/57/398202557.db2.gz BICQOUCXYGFGGO-VXGBXAGGSA-N 1 2 225.332 2.272 20 30 BEEDLO C=CCC[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421402753 192330543 /nfs/dbraw/zinc/33/05/43/192330543.db2.gz WRFLSPMGVUTMNC-UHFFFAOYSA-N 1 2 227.739 2.390 20 30 BEEDLO C=CCC[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421402753 192330544 /nfs/dbraw/zinc/33/05/44/192330544.db2.gz WRFLSPMGVUTMNC-UHFFFAOYSA-N 1 2 227.739 2.390 20 30 BEEDLO CC[N@H+](CCC#N)[C@H](C)c1cnc(C)nc1C ZINC000602439350 349525187 /nfs/dbraw/zinc/52/51/87/349525187.db2.gz YWUBKJLSNDNLTI-LLVKDONJSA-N 1 2 232.331 2.390 20 30 BEEDLO CC[N@@H+](CCC#N)[C@H](C)c1cnc(C)nc1C ZINC000602439350 349525189 /nfs/dbraw/zinc/52/51/89/349525189.db2.gz YWUBKJLSNDNLTI-LLVKDONJSA-N 1 2 232.331 2.390 20 30 BEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000293201332 136229814 /nfs/dbraw/zinc/22/98/14/136229814.db2.gz QSXGBYDOJWISGP-CYBMUJFWSA-N 1 2 244.338 2.277 20 30 BEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000293201332 136229815 /nfs/dbraw/zinc/22/98/15/136229815.db2.gz QSXGBYDOJWISGP-CYBMUJFWSA-N 1 2 244.338 2.277 20 30 BEEDLO Cc1cc(NCCC(C)C)c(C#N)c[nH+]1 ZINC000399724991 262843990 /nfs/dbraw/zinc/84/39/90/262843990.db2.gz JURCBFYWGAGLCV-UHFFFAOYSA-N 1 2 203.289 2.142 20 30 BEEDLO CC[N@@H+](Cc1cncc(OC)c1C)C[C@@H](C)C#N ZINC000602448936 349549439 /nfs/dbraw/zinc/54/94/39/349549439.db2.gz WITDPLSJWROPSH-NSHDSACASA-N 1 2 247.342 2.380 20 30 BEEDLO CC[N@H+](Cc1cncc(OC)c1C)C[C@@H](C)C#N ZINC000602448936 349549442 /nfs/dbraw/zinc/54/94/42/349549442.db2.gz WITDPLSJWROPSH-NSHDSACASA-N 1 2 247.342 2.380 20 30 BEEDLO C[C@@H](CC#N)N(C)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602460690 349555328 /nfs/dbraw/zinc/55/53/28/349555328.db2.gz ARHTXRPOBOZZIP-CMPLNLGQSA-N 1 2 232.331 2.105 20 30 BEEDLO C[C@H](CC#N)N(C)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602460692 349555457 /nfs/dbraw/zinc/55/54/57/349555457.db2.gz ARHTXRPOBOZZIP-PWSUYJOCSA-N 1 2 232.331 2.105 20 30 BEEDLO CC(C)(C)n1cc(C[NH2+]CC2(C#N)CC2)cn1 ZINC000580273625 346822416 /nfs/dbraw/zinc/82/24/16/346822416.db2.gz NEABEJKCOAFMRA-UHFFFAOYSA-N 1 2 232.331 2.031 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1cccc2n[nH]cc21 ZINC000600162589 342693569 /nfs/dbraw/zinc/69/35/69/342693569.db2.gz SCUCQGXVXHMGIY-UHFFFAOYSA-N 1 2 240.310 2.465 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1cccc2n[nH]cc21 ZINC000600162589 342693570 /nfs/dbraw/zinc/69/35/70/342693570.db2.gz SCUCQGXVXHMGIY-UHFFFAOYSA-N 1 2 240.310 2.465 20 30 BEEDLO N#CC1(C[NH2+]Cc2cnc(C3CC3)o2)CCC1 ZINC000600165644 342694079 /nfs/dbraw/zinc/69/40/79/342694079.db2.gz UAAQCQXJSXYJQO-UHFFFAOYSA-N 1 2 231.299 2.335 20 30 BEEDLO Cc1[nH]c(CN2CCC[C@H](CC#N)C2)[nH+]c1C ZINC000600177263 342696539 /nfs/dbraw/zinc/69/65/39/342696539.db2.gz JDFHVQPGADCNBM-GFCCVEGCSA-N 1 2 232.331 2.152 20 30 BEEDLO Cc1nc(C[N@@H+]2CCC[C@H](CC#N)C2)[nH]c1C ZINC000600177263 342696540 /nfs/dbraw/zinc/69/65/40/342696540.db2.gz JDFHVQPGADCNBM-GFCCVEGCSA-N 1 2 232.331 2.152 20 30 BEEDLO Cc1nc(C[N@H+]2CCC[C@H](CC#N)C2)[nH]c1C ZINC000600177263 342696541 /nfs/dbraw/zinc/69/65/41/342696541.db2.gz JDFHVQPGADCNBM-GFCCVEGCSA-N 1 2 232.331 2.152 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000070913449 361879517 /nfs/dbraw/zinc/87/95/17/361879517.db2.gz GDARGNVTTDRWCT-QMMMGPOBSA-N 1 2 206.211 2.174 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000070913449 361879523 /nfs/dbraw/zinc/87/95/23/361879523.db2.gz GDARGNVTTDRWCT-QMMMGPOBSA-N 1 2 206.211 2.174 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cc2n(n1)CCCC2 ZINC000649486269 398283286 /nfs/dbraw/zinc/28/32/86/398283286.db2.gz DTFBOXFFIKPDIG-UHFFFAOYSA-N 1 2 231.343 2.393 20 30 BEEDLO C=C[C@H]([NH2+]C1CCC2(CC2)CC1)C(=O)OC ZINC000309670128 342780062 /nfs/dbraw/zinc/78/00/62/342780062.db2.gz VRHHOUKRQNFRBP-NSHDSACASA-N 1 2 223.316 2.026 20 30 BEEDLO C=CC[C@@H]1CC[C@]2(C1)NC(=O)C[N@H+]2CC(C)C ZINC000649490020 398287271 /nfs/dbraw/zinc/28/72/71/398287271.db2.gz PDZJGSQEUNPRHH-OCCSQVGLSA-N 1 2 236.359 2.147 20 30 BEEDLO C=CC[C@@H]1CC[C@]2(C1)NC(=O)C[N@@H+]2CC(C)C ZINC000649490020 398287273 /nfs/dbraw/zinc/28/72/73/398287273.db2.gz PDZJGSQEUNPRHH-OCCSQVGLSA-N 1 2 236.359 2.147 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@H]1CC2CCC1CC2)C(=O)OC ZINC000400053071 398287392 /nfs/dbraw/zinc/28/73/92/398287392.db2.gz KOEPYFAERSCWBI-FIYWTHMPSA-N 1 2 237.343 2.130 20 30 BEEDLO C=CC[C@H]1CC[C@@]2(C1)[NH2+]C(C)(C)C(=O)N2CC ZINC000649490325 398288001 /nfs/dbraw/zinc/28/80/01/398288001.db2.gz AGPQVPPGCWMWLM-SMDDNHRTSA-N 1 2 236.359 2.289 20 30 BEEDLO CCCn1nccc1C[NH2+][C@H](CC)CC#N ZINC000164842524 342834589 /nfs/dbraw/zinc/83/45/89/342834589.db2.gz IBEOMCZAYTZCLJ-LLVKDONJSA-N 1 2 220.320 2.075 20 30 BEEDLO C[N@H+](Cc1ccon1)Cc1ccc(C#N)c(F)c1 ZINC000361834563 398294800 /nfs/dbraw/zinc/29/48/00/398294800.db2.gz UYXFXEBOJHCMKW-UHFFFAOYSA-N 1 2 245.257 2.317 20 30 BEEDLO C[N@@H+](Cc1ccon1)Cc1ccc(C#N)c(F)c1 ZINC000361834563 398294803 /nfs/dbraw/zinc/29/48/03/398294803.db2.gz UYXFXEBOJHCMKW-UHFFFAOYSA-N 1 2 245.257 2.317 20 30 BEEDLO CCc1nc([C@H](C)[NH2+]CC#CCOC)cs1 ZINC000390574202 539026543 /nfs/dbraw/zinc/02/65/43/539026543.db2.gz VRYKPCKHVZVBMF-JTQLQIEISA-N 1 2 238.356 2.006 20 30 BEEDLO Cc1nc2ccccc2nc1C[NH2+]C[C@@H](C)C#N ZINC000602606669 349628798 /nfs/dbraw/zinc/62/87/98/349628798.db2.gz CGEQMUYTJYEBIH-JTQLQIEISA-N 1 2 240.310 2.188 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000602613240 349636506 /nfs/dbraw/zinc/63/65/06/349636506.db2.gz UWDDYWLVWBZEAO-NWDGAFQWSA-N 1 2 232.331 2.153 20 30 BEEDLO Cc1ncc([C@H](C)[NH2+]CC2(C#N)CC2)c(C)n1 ZINC000602644084 349656061 /nfs/dbraw/zinc/65/60/61/349656061.db2.gz UQLZLIMHUZSRBZ-VIFPVBQESA-N 1 2 230.315 2.048 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H](OC)[C@H](C)CC ZINC000602670527 349665901 /nfs/dbraw/zinc/66/59/01/349665901.db2.gz FOAFSANVIKDMIH-OLZOCXBDSA-N 1 2 224.348 2.449 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H](OC)[C@H](C)CC ZINC000602670527 349665902 /nfs/dbraw/zinc/66/59/02/349665902.db2.gz FOAFSANVIKDMIH-OLZOCXBDSA-N 1 2 224.348 2.449 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(F)cc1F ZINC000051017414 398339660 /nfs/dbraw/zinc/33/96/60/398339660.db2.gz GWDIEBLWIQOQIO-QMMMGPOBSA-N 1 2 210.227 2.214 20 30 BEEDLO Cc1cc(NCC2CC(F)(F)C2)c(C#N)c[nH+]1 ZINC000335510898 398341683 /nfs/dbraw/zinc/34/16/83/398341683.db2.gz MCYPRGUPHPPAGX-UHFFFAOYSA-N 1 2 237.253 2.141 20 30 BEEDLO COC[C@@H](C)C[N@H+](CCC#N)Cc1cccnc1 ZINC000189533897 346896146 /nfs/dbraw/zinc/89/61/46/346896146.db2.gz SHLQDCOINPHPNE-ZDUSSCGKSA-N 1 2 247.342 2.080 20 30 BEEDLO COC[C@@H](C)C[N@@H+](CCC#N)Cc1cccnc1 ZINC000189533897 346896148 /nfs/dbraw/zinc/89/61/48/346896148.db2.gz SHLQDCOINPHPNE-ZDUSSCGKSA-N 1 2 247.342 2.080 20 30 BEEDLO C[C@H](CCC#N)CNc1cc2cc[nH]c2c[nH+]1 ZINC000602706465 349700221 /nfs/dbraw/zinc/70/02/21/349700221.db2.gz PZZHLQWCXCNWMN-SNVBAGLBSA-N 1 2 228.299 2.337 20 30 BEEDLO CN(C)c1c[nH+]cc(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000602723947 349714437 /nfs/dbraw/zinc/71/44/37/349714437.db2.gz JWCUDRNMYUIRAV-QWRGUYRKSA-N 1 2 230.315 2.252 20 30 BEEDLO C[C@H](C#N)C[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602797069 349738844 /nfs/dbraw/zinc/73/88/44/349738844.db2.gz BHPKFSGDVCOCBH-LLVKDONJSA-N 1 2 217.316 2.304 20 30 BEEDLO C[C@H](C#N)C[N@@H+](CC1(CC#N)CC1)C1CC1 ZINC000602797069 349738846 /nfs/dbraw/zinc/73/88/46/349738846.db2.gz BHPKFSGDVCOCBH-LLVKDONJSA-N 1 2 217.316 2.304 20 30 BEEDLO C[C@@H]1OCC[C@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000602780381 349746353 /nfs/dbraw/zinc/74/63/53/349746353.db2.gz HSMBYHLZZHRSJI-STQMWFEESA-N 1 2 248.326 2.420 20 30 BEEDLO C[C@@H]1OCC[C@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000602780381 349746355 /nfs/dbraw/zinc/74/63/55/349746355.db2.gz HSMBYHLZZHRSJI-STQMWFEESA-N 1 2 248.326 2.420 20 30 BEEDLO N#CCC1(C[N@@H+]2Cc3cccnc3C2)CC1 ZINC000602826942 349765409 /nfs/dbraw/zinc/76/54/09/349765409.db2.gz OUUULGRLTBTJQM-UHFFFAOYSA-N 1 2 213.284 2.091 20 30 BEEDLO N#CCC1(C[N@H+]2Cc3cccnc3C2)CC1 ZINC000602826942 349765412 /nfs/dbraw/zinc/76/54/12/349765412.db2.gz OUUULGRLTBTJQM-UHFFFAOYSA-N 1 2 213.284 2.091 20 30 BEEDLO CC#CC[N@H+](C)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602831096 349767532 /nfs/dbraw/zinc/76/75/32/349767532.db2.gz GBURMQUZMSQZHY-LBPRGKRZSA-N 1 2 237.343 2.062 20 30 BEEDLO CC#CC[N@@H+](C)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602831096 349767538 /nfs/dbraw/zinc/76/75/38/349767538.db2.gz GBURMQUZMSQZHY-LBPRGKRZSA-N 1 2 237.343 2.062 20 30 BEEDLO Cc1cc(C)c(CN2CC[C@@](F)(C#N)C2)c(C)[nH+]1 ZINC000602817029 349758786 /nfs/dbraw/zinc/75/87/86/349758786.db2.gz RSRZIAPESMMQDP-CQSZACIVSA-N 1 2 247.317 2.444 20 30 BEEDLO Cc1cccc2[nH+]cc(CN(C)[C@H](C)CC#N)n21 ZINC000353419223 136265350 /nfs/dbraw/zinc/26/53/50/136265350.db2.gz BIGSZQDJQHYJBG-LLVKDONJSA-N 1 2 242.326 2.377 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H](SC)C(C)(C)C)C(=O)OC ZINC000309953387 343108546 /nfs/dbraw/zinc/10/85/46/343108546.db2.gz HDIYETKMWNJVRN-VHSXEESVSA-N 1 2 245.388 2.081 20 30 BEEDLO C=C[C@H]([NH2+]CC1(CC(C)C)CC1)C(=O)OC ZINC000309957513 343109290 /nfs/dbraw/zinc/10/92/90/343109290.db2.gz JDLPUKHZPYEJIJ-NSHDSACASA-N 1 2 225.332 2.130 20 30 BEEDLO CCOc1cccc(C[N@H+](CC)C[C@H](C)C#N)n1 ZINC000120500927 136269319 /nfs/dbraw/zinc/26/93/19/136269319.db2.gz FARFJCJYLLRARF-GFCCVEGCSA-N 1 2 247.342 2.462 20 30 BEEDLO CCOc1cccc(C[N@@H+](CC)C[C@H](C)C#N)n1 ZINC000120500927 136269320 /nfs/dbraw/zinc/26/93/20/136269320.db2.gz FARFJCJYLLRARF-GFCCVEGCSA-N 1 2 247.342 2.462 20 30 BEEDLO C#CCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000270661626 187236230 /nfs/dbraw/zinc/23/62/30/187236230.db2.gz VYHGEKXWFWEPTK-LBPRGKRZSA-N 1 2 221.325 2.145 20 30 BEEDLO C#CCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000270661626 187236232 /nfs/dbraw/zinc/23/62/32/187236232.db2.gz VYHGEKXWFWEPTK-LBPRGKRZSA-N 1 2 221.325 2.145 20 30 BEEDLO C=CCCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276447973 187239105 /nfs/dbraw/zinc/23/91/05/187239105.db2.gz BNQNHJIYNNMTNI-NSHDSACASA-N 1 2 221.304 2.189 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000267228533 187235463 /nfs/dbraw/zinc/23/54/63/187235463.db2.gz BYIXRXRUGCYJSP-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO C#CC[N@H+](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000267228533 187235464 /nfs/dbraw/zinc/23/54/64/187235464.db2.gz BYIXRXRUGCYJSP-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO Cc1cc(CNC(=O)CC(C)(C)C#N)cc(C)[nH+]1 ZINC000421580101 192356930 /nfs/dbraw/zinc/35/69/30/192356930.db2.gz VPTKWQZRZICABN-UHFFFAOYSA-N 1 2 245.326 2.255 20 30 BEEDLO CCc1ccc(C[NH2+][C@H](C)CC#N)nc1 ZINC000602868451 349799193 /nfs/dbraw/zinc/79/91/93/349799193.db2.gz BMHMLTLNIADILX-SNVBAGLBSA-N 1 2 203.289 2.036 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cn(C)nc1C(C)(C)C ZINC000271765144 136282503 /nfs/dbraw/zinc/28/25/03/136282503.db2.gz DEZPFHGVVTYIKT-UHFFFAOYSA-N 1 2 248.374 2.453 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cn(C)nc1C(C)(C)C ZINC000271765144 136282504 /nfs/dbraw/zinc/28/25/04/136282504.db2.gz DEZPFHGVVTYIKT-UHFFFAOYSA-N 1 2 248.374 2.453 20 30 BEEDLO C[C@H](C[N@H+](C)CCC#N)c1nccs1 ZINC000273066862 136283274 /nfs/dbraw/zinc/28/32/74/136283274.db2.gz NSAPVUXUOWHMPF-SECBINFHSA-N 1 2 209.318 2.092 20 30 BEEDLO C[C@H](C[N@@H+](C)CCC#N)c1nccs1 ZINC000273066862 136283275 /nfs/dbraw/zinc/28/32/75/136283275.db2.gz NSAPVUXUOWHMPF-SECBINFHSA-N 1 2 209.318 2.092 20 30 BEEDLO C[C@@H](CC#N)[NH2+]CC#Cc1ccc(F)cc1 ZINC000602870473 349801657 /nfs/dbraw/zinc/80/16/57/349801657.db2.gz UHYXLPSQFRHRMM-NSHDSACASA-N 1 2 216.259 2.069 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)CC#N ZINC000287538375 136287851 /nfs/dbraw/zinc/28/78/51/136287851.db2.gz OAPPQQRPGYCRDR-VIFPVBQESA-N 1 2 232.287 2.122 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(C)n1 ZINC000051576227 343258768 /nfs/dbraw/zinc/25/87/68/343258768.db2.gz GFDGGDOMSOJDKM-NSHDSACASA-N 1 2 203.289 2.172 20 30 BEEDLO C=CC[N@H+](CCC#N)CC1CCC(=O)CC1 ZINC000295252000 136290310 /nfs/dbraw/zinc/29/03/10/136290310.db2.gz WUVVCLXFWZYVME-UHFFFAOYSA-N 1 2 220.316 2.147 20 30 BEEDLO C=CC[N@@H+](CCC#N)CC1CCC(=O)CC1 ZINC000295252000 136290311 /nfs/dbraw/zinc/29/03/11/136290311.db2.gz WUVVCLXFWZYVME-UHFFFAOYSA-N 1 2 220.316 2.147 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000602871662 349803857 /nfs/dbraw/zinc/80/38/57/349803857.db2.gz TVVOESRASMQYKL-MRVPVSSYSA-N 1 2 237.234 2.126 20 30 BEEDLO C[C@H](CCC#N)N1CC[NH+](Cc2ccco2)CC1 ZINC000297882312 136291172 /nfs/dbraw/zinc/29/11/72/136291172.db2.gz NLSFHBSQVNBHBO-CYBMUJFWSA-N 1 2 247.342 2.089 20 30 BEEDLO CC[N@H+](CCC(F)(F)F)C[C@H](C)C#N ZINC000070913397 343339444 /nfs/dbraw/zinc/33/94/44/343339444.db2.gz GNVXJRUIZWQVIL-MRVPVSSYSA-N 1 2 208.227 2.420 20 30 BEEDLO CC[N@@H+](CCC(F)(F)F)C[C@H](C)C#N ZINC000070913397 343339446 /nfs/dbraw/zinc/33/94/46/343339446.db2.gz GNVXJRUIZWQVIL-MRVPVSSYSA-N 1 2 208.227 2.420 20 30 BEEDLO COCc1ccc(C[NH2+]CC(C)(C)C#N)o1 ZINC000134976727 343341857 /nfs/dbraw/zinc/34/18/57/343341857.db2.gz CLNVGXPILQJGHO-UHFFFAOYSA-N 1 2 222.288 2.065 20 30 BEEDLO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC000121212049 536878361 /nfs/dbraw/zinc/87/83/61/536878361.db2.gz PQOFAYKBRUXDOX-NSHDSACASA-N 1 2 243.310 2.301 20 30 BEEDLO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000121212049 536878363 /nfs/dbraw/zinc/87/83/63/536878363.db2.gz PQOFAYKBRUXDOX-NSHDSACASA-N 1 2 243.310 2.301 20 30 BEEDLO N#CC1(C[N@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000335737968 136351118 /nfs/dbraw/zinc/35/11/18/136351118.db2.gz QECSCZQHUXDMSJ-UHFFFAOYSA-N 1 2 230.233 2.485 20 30 BEEDLO N#CC1(C[N@@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000335737968 136351119 /nfs/dbraw/zinc/35/11/19/136351119.db2.gz QECSCZQHUXDMSJ-UHFFFAOYSA-N 1 2 230.233 2.485 20 30 BEEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2ccsc2)o1 ZINC000349600700 136352492 /nfs/dbraw/zinc/35/24/92/136352492.db2.gz QXLNLXLDZKJINM-GFCCVEGCSA-N 1 2 248.307 2.036 20 30 BEEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccon1 ZINC000349250727 136332992 /nfs/dbraw/zinc/33/29/92/136332992.db2.gz ZCNFKZNKEDNXIJ-SNVBAGLBSA-N 1 2 227.267 2.397 20 30 BEEDLO Cc1c(C[N@@H+](C)C[C@H](C)C#N)cccc1[N+](=O)[O-] ZINC000042324907 343435214 /nfs/dbraw/zinc/43/52/14/343435214.db2.gz OVXWSRWZXMPQEN-SNVBAGLBSA-N 1 2 247.298 2.495 20 30 BEEDLO Cc1c(C[N@H+](C)C[C@H](C)C#N)cccc1[N+](=O)[O-] ZINC000042324907 343435217 /nfs/dbraw/zinc/43/52/17/343435217.db2.gz OVXWSRWZXMPQEN-SNVBAGLBSA-N 1 2 247.298 2.495 20 30 BEEDLO C=CC[N@@H+](Cc1ncc(COC)s1)C1CC1 ZINC000350267033 136357528 /nfs/dbraw/zinc/35/75/28/136357528.db2.gz NOHOXZRCHJOVQU-UHFFFAOYSA-N 1 2 238.356 2.440 20 30 BEEDLO C=CC[N@H+](Cc1ncc(COC)s1)C1CC1 ZINC000350267033 136357529 /nfs/dbraw/zinc/35/75/29/136357529.db2.gz NOHOXZRCHJOVQU-UHFFFAOYSA-N 1 2 238.356 2.440 20 30 BEEDLO Cc1ccc(NC(=O)CC2(C#N)CC2)c(C)[nH+]1 ZINC000590297706 346943377 /nfs/dbraw/zinc/94/33/77/346943377.db2.gz GIPANFYPJNISMC-UHFFFAOYSA-N 1 2 229.283 2.331 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000044389192 343499163 /nfs/dbraw/zinc/49/91/63/343499163.db2.gz UDFNJXIQVPNWFI-JTQLQIEISA-N 1 2 233.271 2.186 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000044389192 343499164 /nfs/dbraw/zinc/49/91/64/343499164.db2.gz UDFNJXIQVPNWFI-JTQLQIEISA-N 1 2 233.271 2.186 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc(C)ccn1 ZINC000616757902 343560703 /nfs/dbraw/zinc/56/07/03/343560703.db2.gz GQSNKSLWRRYFEP-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc(C)ccn1 ZINC000616757902 343560705 /nfs/dbraw/zinc/56/07/05/343560705.db2.gz GQSNKSLWRRYFEP-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C)ns1 ZINC000379603417 343582193 /nfs/dbraw/zinc/58/21/93/343582193.db2.gz NWDCMDNYMOTUQF-SECBINFHSA-N 1 2 209.318 2.233 20 30 BEEDLO C=C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C(=O)OC ZINC000302445241 343587215 /nfs/dbraw/zinc/58/72/15/343587215.db2.gz UNWHPRWTALDADB-GXTWGEPZSA-N 1 2 247.338 2.325 20 30 BEEDLO Cc1noc(C)c1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602976168 349840152 /nfs/dbraw/zinc/84/01/52/349840152.db2.gz MDNRXUKBQLKIRR-AAEUAGOBSA-N 1 2 233.315 2.416 20 30 BEEDLO Cc1noc(C)c1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602976168 349840157 /nfs/dbraw/zinc/84/01/57/349840157.db2.gz MDNRXUKBQLKIRR-AAEUAGOBSA-N 1 2 233.315 2.416 20 30 BEEDLO COc1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC000602977560 349841881 /nfs/dbraw/zinc/84/18/81/349841881.db2.gz CWXAZXVOZZONTJ-WCQYABFASA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)n1 ZINC000602977560 349841884 /nfs/dbraw/zinc/84/18/84/349841884.db2.gz CWXAZXVOZZONTJ-WCQYABFASA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)nc1 ZINC000602980064 349845088 /nfs/dbraw/zinc/84/50/88/349845088.db2.gz LAIYKHWHCKQXFM-SMDDNHRTSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)nc1 ZINC000602980064 349845092 /nfs/dbraw/zinc/84/50/92/349845092.db2.gz LAIYKHWHCKQXFM-SMDDNHRTSA-N 1 2 245.326 2.214 20 30 BEEDLO Cc1nc(C[NH2+]Cc2cccc(C#N)n2)cs1 ZINC000602509608 343871815 /nfs/dbraw/zinc/87/18/15/343871815.db2.gz FETHBLVNQYOUQY-UHFFFAOYSA-N 1 2 244.323 2.008 20 30 BEEDLO C=C(Br)CNc1cc[nH+]c(C)n1 ZINC000127172993 343917639 /nfs/dbraw/zinc/91/76/39/343917639.db2.gz MVXDINABWVHVAY-UHFFFAOYSA-N 1 2 228.093 2.106 20 30 BEEDLO C=CCCC[C@H](C)n1cc(C[NH2+]CC#CC)nn1 ZINC000641232604 362283505 /nfs/dbraw/zinc/28/35/05/362283505.db2.gz HFGRLQYGOVMUIN-ZDUSSCGKSA-N 1 2 246.358 2.308 20 30 BEEDLO C=CCCC[C@@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000641235200 362288497 /nfs/dbraw/zinc/28/84/97/362288497.db2.gz NDLCTXJFZDVYQG-GFCCVEGCSA-N 1 2 245.330 2.440 20 30 BEEDLO Cc1nc(C)c(C[N@H+](C)CCC#N)s1 ZINC000083219090 344172941 /nfs/dbraw/zinc/17/29/41/344172941.db2.gz VBRTYBSQDDVIAP-UHFFFAOYSA-N 1 2 209.318 2.105 20 30 BEEDLO Cc1nc(C)c(C[N@@H+](C)CCC#N)s1 ZINC000083219090 344172943 /nfs/dbraw/zinc/17/29/43/344172943.db2.gz VBRTYBSQDDVIAP-UHFFFAOYSA-N 1 2 209.318 2.105 20 30 BEEDLO CO[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000177298291 344564058 /nfs/dbraw/zinc/56/40/58/344564058.db2.gz PEDYPHWMKJANMG-AWEZNQCLSA-N 1 2 248.301 2.308 20 30 BEEDLO CO[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000177298291 344564059 /nfs/dbraw/zinc/56/40/59/344564059.db2.gz PEDYPHWMKJANMG-AWEZNQCLSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC#N ZINC000115552681 344711765 /nfs/dbraw/zinc/71/17/65/344711765.db2.gz RWPJFCWCNFDCGP-DGCLKSJQSA-N 1 2 200.285 2.388 20 30 BEEDLO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC#N ZINC000115552681 344711768 /nfs/dbraw/zinc/71/17/68/344711768.db2.gz RWPJFCWCNFDCGP-DGCLKSJQSA-N 1 2 200.285 2.388 20 30 BEEDLO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CC#N ZINC000115552679 344711929 /nfs/dbraw/zinc/71/19/29/344711929.db2.gz RWPJFCWCNFDCGP-AAEUAGOBSA-N 1 2 200.285 2.388 20 30 BEEDLO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC#N ZINC000115552679 344711931 /nfs/dbraw/zinc/71/19/31/344711931.db2.gz RWPJFCWCNFDCGP-AAEUAGOBSA-N 1 2 200.285 2.388 20 30 BEEDLO C=CCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075532988 344774075 /nfs/dbraw/zinc/77/40/75/344774075.db2.gz WVPJZSIBXMXOEW-NSHDSACASA-N 1 2 233.315 2.082 20 30 BEEDLO N#CCCC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000076118720 344797532 /nfs/dbraw/zinc/79/75/32/344797532.db2.gz DDKWZXLKCVAMMW-AWEZNQCLSA-N 1 2 230.311 2.364 20 30 BEEDLO N#CCCC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000076118720 344797534 /nfs/dbraw/zinc/79/75/34/344797534.db2.gz DDKWZXLKCVAMMW-AWEZNQCLSA-N 1 2 230.311 2.364 20 30 BEEDLO Cc1cc(C[N@H+](C)CCC(C)(C)C#N)no1 ZINC000119598588 344855419 /nfs/dbraw/zinc/85/54/19/344855419.db2.gz SHUWZDYAZOMUNM-UHFFFAOYSA-N 1 2 221.304 2.355 20 30 BEEDLO Cc1cc(C[N@@H+](C)CCC(C)(C)C#N)no1 ZINC000119598588 344855420 /nfs/dbraw/zinc/85/54/20/344855420.db2.gz SHUWZDYAZOMUNM-UHFFFAOYSA-N 1 2 221.304 2.355 20 30 BEEDLO Cn1ncc2c1nc[nH+]c2SCCCCC#N ZINC000121446865 344924869 /nfs/dbraw/zinc/92/48/69/344924869.db2.gz CSVWBBCXOBJRPA-UHFFFAOYSA-N 1 2 247.327 2.149 20 30 BEEDLO COCCC[NH+]=Cc1cc2ccccc2[nH]c1=O ZINC000121764184 344935926 /nfs/dbraw/zinc/93/59/26/344935926.db2.gz ZKJWLEVILAMPNV-XNTDXEJSSA-N 1 2 244.294 2.396 20 30 BEEDLO CC(C)(C#N)CCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000372506704 534980477 /nfs/dbraw/zinc/98/04/77/534980477.db2.gz POCMXAKDDRGFMB-SNVBAGLBSA-N 1 2 246.301 2.018 20 30 BEEDLO CC(C)(C#N)CCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000372506704 534980486 /nfs/dbraw/zinc/98/04/86/534980486.db2.gz POCMXAKDDRGFMB-SNVBAGLBSA-N 1 2 246.301 2.018 20 30 BEEDLO CO[C@@H](CNc1cc(C)[nH+]cc1C#N)C(C)(C)C ZINC000425223217 192084585 /nfs/dbraw/zinc/08/45/85/192084585.db2.gz BSEBGZMFWFGFFD-ZDUSSCGKSA-N 1 2 247.342 2.157 20 30 BEEDLO CC(C)(C#N)CC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000353268593 534988472 /nfs/dbraw/zinc/98/84/72/534988472.db2.gz RYLBUFFHSHLDKF-SNVBAGLBSA-N 1 2 246.301 2.282 20 30 BEEDLO CC(C)(C#N)CC[N@H+]1CCOC[C@H]1CC(F)F ZINC000353268593 534988476 /nfs/dbraw/zinc/98/84/76/534988476.db2.gz RYLBUFFHSHLDKF-SNVBAGLBSA-N 1 2 246.301 2.282 20 30 BEEDLO Cc1cc(N(C)CC[C@@H]2CCCO2)c(C#N)c[nH+]1 ZINC000425258345 192086128 /nfs/dbraw/zinc/08/61/28/192086128.db2.gz SOFBODWRWUKPHH-ZDUSSCGKSA-N 1 2 245.326 2.267 20 30 BEEDLO CO[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C[C@@H]1C ZINC000425266464 192086166 /nfs/dbraw/zinc/08/61/66/192086166.db2.gz IDBRRCVPYIVULB-IINYFYTJSA-N 1 2 245.326 2.123 20 30 BEEDLO N#CCC1CCN(c2cc[nH+]cc2F)CC1 ZINC000603332812 349925885 /nfs/dbraw/zinc/92/58/85/349925885.db2.gz QFHDTQPBCHRMAI-UHFFFAOYSA-N 1 2 219.263 2.351 20 30 BEEDLO COc1cccc(/C=[NH+]/[C@H]2CC[C@H](O)CC2)c1O ZINC000133111922 345361340 /nfs/dbraw/zinc/36/13/40/345361340.db2.gz OZORVUYXOLQJJJ-OMOLXHFVSA-N 1 2 249.310 2.123 20 30 BEEDLO C#CC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000084116564 345510877 /nfs/dbraw/zinc/51/08/77/345510877.db2.gz MCHUEDJXPUGXDX-CQSZACIVSA-N 1 2 239.322 2.343 20 30 BEEDLO C#CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000084116564 345510879 /nfs/dbraw/zinc/51/08/79/345510879.db2.gz MCHUEDJXPUGXDX-CQSZACIVSA-N 1 2 239.322 2.343 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(CO)cc[nH+]1 ZINC000641668955 362590239 /nfs/dbraw/zinc/59/02/39/362590239.db2.gz SRGCCAHYHRMJOL-BETUJISGSA-N 1 2 230.311 2.261 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc(C(=O)OC)c1 ZINC000081040737 345459636 /nfs/dbraw/zinc/45/96/36/345459636.db2.gz LZXHASQMLHJGGA-UHFFFAOYSA-N 1 2 246.310 2.209 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc(C(=O)OC)c1 ZINC000081040737 345459637 /nfs/dbraw/zinc/45/96/37/345459637.db2.gz LZXHASQMLHJGGA-UHFFFAOYSA-N 1 2 246.310 2.209 20 30 BEEDLO CC(C)(C#N)[NH+]1CCc2ccccc2CC1 ZINC000161139566 345559916 /nfs/dbraw/zinc/55/99/16/345559916.db2.gz CSWYOLQNKAJABA-UHFFFAOYSA-N 1 2 214.312 2.389 20 30 BEEDLO CCOC(=O)C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000128195073 345574369 /nfs/dbraw/zinc/57/43/69/345574369.db2.gz UNWWWMZGZFSLNU-NSHDSACASA-N 1 2 246.310 2.114 20 30 BEEDLO CCOC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000128195073 345574370 /nfs/dbraw/zinc/57/43/70/345574370.db2.gz UNWWWMZGZFSLNU-NSHDSACASA-N 1 2 246.310 2.114 20 30 BEEDLO Cc1cccc([C@H]2CCC[N@@H+]2CCC#N)n1 ZINC000159881725 345581767 /nfs/dbraw/zinc/58/17/67/345581767.db2.gz WSINNJYMFIFTSP-CYBMUJFWSA-N 1 2 215.300 2.441 20 30 BEEDLO Cc1cccc([C@H]2CCC[N@H+]2CCC#N)n1 ZINC000159881725 345581769 /nfs/dbraw/zinc/58/17/69/345581769.db2.gz WSINNJYMFIFTSP-CYBMUJFWSA-N 1 2 215.300 2.441 20 30 BEEDLO COc1cncc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000588967057 345836226 /nfs/dbraw/zinc/83/62/26/345836226.db2.gz FPHNFVMLHFHVAG-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1cncc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000588967057 345836229 /nfs/dbraw/zinc/83/62/29/345836229.db2.gz FPHNFVMLHFHVAG-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO CC(C)([NH2+][C@H]1CC[C@H](C#N)C1)C(F)F ZINC000307655087 345877792 /nfs/dbraw/zinc/87/77/92/345877792.db2.gz WLYNAMSBLYAPIQ-YUMQZZPRSA-N 1 2 202.248 2.312 20 30 BEEDLO C=C[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635676875 345971240 /nfs/dbraw/zinc/97/12/40/345971240.db2.gz ZGKNJMANXQFLST-NWDGAFQWSA-N 1 2 235.331 2.161 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc2c(n1)CCC2 ZINC000572723880 345979888 /nfs/dbraw/zinc/97/98/88/345979888.db2.gz PADLQNPAJBXVKV-UHFFFAOYSA-N 1 2 229.327 2.306 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc2c(n1)CCC2 ZINC000572723880 345979891 /nfs/dbraw/zinc/97/98/91/345979891.db2.gz PADLQNPAJBXVKV-UHFFFAOYSA-N 1 2 229.327 2.306 20 30 BEEDLO C=C(CC)CNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000636006994 346148709 /nfs/dbraw/zinc/14/87/09/346148709.db2.gz QGBFGTHGGZHZOU-UHFFFAOYSA-N 1 2 243.310 2.339 20 30 BEEDLO C#C[C@@H](C)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000289637335 346207646 /nfs/dbraw/zinc/20/76/46/346207646.db2.gz XIIXZLPIWAIDLA-ZCFIWIBFSA-N 1 2 234.246 2.273 20 30 BEEDLO C=CCCCCCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000636138584 346331123 /nfs/dbraw/zinc/33/11/23/346331123.db2.gz AMHFDRDAIJXDAL-UHFFFAOYSA-N 1 2 249.358 2.377 20 30 BEEDLO C=CC(C)(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636250327 346368102 /nfs/dbraw/zinc/36/81/02/346368102.db2.gz XGSHHEIQARIMFO-GHMZBOCLSA-N 1 2 247.342 2.232 20 30 BEEDLO C=CC(C)(C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636250327 346368105 /nfs/dbraw/zinc/36/81/05/346368105.db2.gz XGSHHEIQARIMFO-GHMZBOCLSA-N 1 2 247.342 2.232 20 30 BEEDLO C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636238269 346365278 /nfs/dbraw/zinc/36/52/78/346365278.db2.gz FCHVQUSOFHLVPZ-GHMZBOCLSA-N 1 2 247.342 2.374 20 30 BEEDLO C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636238269 346365279 /nfs/dbraw/zinc/36/52/79/346365279.db2.gz FCHVQUSOFHLVPZ-GHMZBOCLSA-N 1 2 247.342 2.374 20 30 BEEDLO C#C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(C)C ZINC000281912086 346372912 /nfs/dbraw/zinc/37/29/12/346372912.db2.gz PXAQEVMPSDWCJC-LLVKDONJSA-N 1 2 215.300 2.424 20 30 BEEDLO Cc1cccc(CCNc2cccnc2C#N)[nH+]1 ZINC000357683160 179061389 /nfs/dbraw/zinc/06/13/89/179061389.db2.gz HDLJFLRWGCLYDB-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO C=CCN(CC=C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000170864870 346465929 /nfs/dbraw/zinc/46/59/29/346465929.db2.gz SEOKNBYQYMNHSF-UHFFFAOYSA-N 1 2 241.294 2.149 20 30 BEEDLO CCC[N@H+](CC#N)C[C@H](O)CCc1ccccc1 ZINC000182397764 347094309 /nfs/dbraw/zinc/09/43/09/347094309.db2.gz GAANRRACKIZHHQ-OAHLLOKOSA-N 1 2 246.354 2.216 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@H](O)CCc1ccccc1 ZINC000182397764 347094311 /nfs/dbraw/zinc/09/43/11/347094311.db2.gz GAANRRACKIZHHQ-OAHLLOKOSA-N 1 2 246.354 2.216 20 30 BEEDLO CCC[N@H+](CCCC#N)CC(=O)OC(C)(C)C ZINC000186316268 346503137 /nfs/dbraw/zinc/50/31/37/346503137.db2.gz BKLWLHUWTLVMFJ-UHFFFAOYSA-N 1 2 240.347 2.344 20 30 BEEDLO CCC[N@@H+](CCCC#N)CC(=O)OC(C)(C)C ZINC000186316268 346503141 /nfs/dbraw/zinc/50/31/41/346503141.db2.gz BKLWLHUWTLVMFJ-UHFFFAOYSA-N 1 2 240.347 2.344 20 30 BEEDLO C=CC[C@@H](CC)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580094309 346520212 /nfs/dbraw/zinc/52/02/12/346520212.db2.gz NHLMCVZWIMDNOL-GHMZBOCLSA-N 1 2 235.331 2.059 20 30 BEEDLO C=CC[C@@H](CC)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580094309 346520217 /nfs/dbraw/zinc/52/02/17/346520217.db2.gz NHLMCVZWIMDNOL-GHMZBOCLSA-N 1 2 235.331 2.059 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1cccs1 ZINC000053099882 346536897 /nfs/dbraw/zinc/53/68/97/346536897.db2.gz NMZBFQBWSWHTGR-UHFFFAOYSA-N 1 2 224.329 2.110 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1cccs1 ZINC000053099882 346536899 /nfs/dbraw/zinc/53/68/99/346536899.db2.gz NMZBFQBWSWHTGR-UHFFFAOYSA-N 1 2 224.329 2.110 20 30 BEEDLO C=C[C@@H]([NH2+]CC1CCC(C)CC1)C(=O)OC ZINC000301045165 346573177 /nfs/dbraw/zinc/57/31/77/346573177.db2.gz NIZPKGJVMJIJNM-HTAVTVPLSA-N 1 2 225.332 2.130 20 30 BEEDLO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000589991009 346760350 /nfs/dbraw/zinc/76/03/50/346760350.db2.gz SXVJRJSODRKFMK-TZMCWYRMSA-N 1 2 244.342 2.472 20 30 BEEDLO Cc1cnc([C@@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000589991009 346760352 /nfs/dbraw/zinc/76/03/52/346760352.db2.gz SXVJRJSODRKFMK-TZMCWYRMSA-N 1 2 244.342 2.472 20 30 BEEDLO CCN1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186289268 347231006 /nfs/dbraw/zinc/23/10/06/347231006.db2.gz GMGLALIGXONDOO-CYBMUJFWSA-N 1 2 243.354 2.257 20 30 BEEDLO C[C@H](CCC#N)Sc1[nH+]cnc2c1cnn2C ZINC000188287612 347277390 /nfs/dbraw/zinc/27/73/90/347277390.db2.gz GBKLTHUZGCKTNC-MRVPVSSYSA-N 1 2 247.327 2.148 20 30 BEEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCC#N)o1 ZINC000020199483 347412591 /nfs/dbraw/zinc/41/25/91/347412591.db2.gz VSAAKVVEWBDVCD-KOLCDFICSA-N 1 2 204.273 2.406 20 30 BEEDLO Cc1ccc(C[N@@H+](C)CC2(C#N)CC2)nc1 ZINC000590754396 347505407 /nfs/dbraw/zinc/50/54/07/347505407.db2.gz DYIFBGJSFHZHJQ-UHFFFAOYSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ccc(C[N@H+](C)CC2(C#N)CC2)nc1 ZINC000590754396 347505410 /nfs/dbraw/zinc/50/54/10/347505410.db2.gz DYIFBGJSFHZHJQ-UHFFFAOYSA-N 1 2 215.300 2.126 20 30 BEEDLO COc1cccc2c1C[N@H+](CC1(C#N)CC1)CC2 ZINC000590760035 347518023 /nfs/dbraw/zinc/51/80/23/347518023.db2.gz LVYSYKINJMFUEC-UHFFFAOYSA-N 1 2 242.322 2.357 20 30 BEEDLO COc1cccc2c1C[N@@H+](CC1(C#N)CC1)CC2 ZINC000590760035 347518026 /nfs/dbraw/zinc/51/80/26/347518026.db2.gz LVYSYKINJMFUEC-UHFFFAOYSA-N 1 2 242.322 2.357 20 30 BEEDLO Cc1ccc(NC(=O)N(C)CCC#N)c(C)[nH+]1 ZINC000176736145 365895410 /nfs/dbraw/zinc/89/54/10/365895410.db2.gz VTCVONIWLRGQCU-UHFFFAOYSA-N 1 2 232.287 2.076 20 30 BEEDLO CC1(C#N)C[NH+](C[C@H]2CCOc3ccccc32)C1 ZINC000590967893 347596832 /nfs/dbraw/zinc/59/68/32/347596832.db2.gz QQENHXFVQUBUKW-GFCCVEGCSA-N 1 2 242.322 2.398 20 30 BEEDLO N#CCC1(CNc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000591158025 347626624 /nfs/dbraw/zinc/62/66/24/347626624.db2.gz WDQAMLGWCRFIOB-UHFFFAOYSA-N 1 2 243.314 2.157 20 30 BEEDLO N#CCC1(CNc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000591158025 347626628 /nfs/dbraw/zinc/62/66/28/347626628.db2.gz WDQAMLGWCRFIOB-UHFFFAOYSA-N 1 2 243.314 2.157 20 30 BEEDLO C=C[C@H]([NH2+]C1[C@H](C)CCC[C@H]1C)C(=O)OC ZINC000591036872 347609327 /nfs/dbraw/zinc/60/93/27/347609327.db2.gz OKAISTUYTJJBKS-MXWKQRLJSA-N 1 2 225.332 2.128 20 30 BEEDLO CC(C)(C)c1nc(N[C@@H]2CC[C@H](C#N)C2)cc[nH+]1 ZINC000591826491 347701816 /nfs/dbraw/zinc/70/18/16/347701816.db2.gz FGZQPJNIBNRXKW-WDEREUQCSA-N 1 2 244.342 2.300 20 30 BEEDLO Cc1cc(N2CC[C@@H](C(F)F)C2)c(C#N)c[nH+]1 ZINC000591824768 347702010 /nfs/dbraw/zinc/70/20/10/347702010.db2.gz XQXWDTXRQAHMFH-SECBINFHSA-N 1 2 237.253 2.353 20 30 BEEDLO CC(F)(F)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000591504365 347668478 /nfs/dbraw/zinc/66/84/78/347668478.db2.gz WLOVZAACSLXICC-UHFFFAOYSA-N 1 2 228.217 2.442 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnn1CC(C)C ZINC000592506902 347792128 /nfs/dbraw/zinc/79/21/28/347792128.db2.gz SHMIEJCOMUBAKD-LBPRGKRZSA-N 1 2 234.347 2.321 20 30 BEEDLO Cc1cc(NC2CC3(CCC3)C2)c(C#N)c[nH+]1 ZINC000593516827 347903099 /nfs/dbraw/zinc/90/30/99/347903099.db2.gz SAXWDAFKVRQILA-UHFFFAOYSA-N 1 2 227.311 2.428 20 30 BEEDLO N#CC1(C[NH2+]Cc2cscn2)CCCC1 ZINC000593650386 347921667 /nfs/dbraw/zinc/92/16/67/347921667.db2.gz RPCIGFJPXCCXRR-UHFFFAOYSA-N 1 2 221.329 2.317 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccncc2F)CCCC1 ZINC000593654803 347922712 /nfs/dbraw/zinc/92/27/12/347922712.db2.gz PMYASRVJAWUZGA-UHFFFAOYSA-N 1 2 233.290 2.394 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H](C)CO1 ZINC000593665311 347924404 /nfs/dbraw/zinc/92/44/04/347924404.db2.gz AFFZJBJUOXFXNX-WDEREUQCSA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H](C)CO1 ZINC000593665311 347924407 /nfs/dbraw/zinc/92/44/07/347924407.db2.gz AFFZJBJUOXFXNX-WDEREUQCSA-N 1 2 234.299 2.151 20 30 BEEDLO C[N@H+](CCC#N)CCc1noc2ccccc21 ZINC000593960550 347972608 /nfs/dbraw/zinc/97/26/08/347972608.db2.gz FXNSVEWJRDROPL-UHFFFAOYSA-N 1 2 229.283 2.216 20 30 BEEDLO C[N@@H+](CCC#N)CCc1noc2ccccc21 ZINC000593960550 347972609 /nfs/dbraw/zinc/97/26/09/347972609.db2.gz FXNSVEWJRDROPL-UHFFFAOYSA-N 1 2 229.283 2.216 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000593968627 347974215 /nfs/dbraw/zinc/97/42/15/347974215.db2.gz WCXVGLQBMLWVRR-NSHDSACASA-N 1 2 240.310 2.077 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000593968627 347974216 /nfs/dbraw/zinc/97/42/16/347974216.db2.gz WCXVGLQBMLWVRR-NSHDSACASA-N 1 2 240.310 2.077 20 30 BEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C[C@H]1F ZINC000593970927 347975085 /nfs/dbraw/zinc/97/50/85/347975085.db2.gz RFAOESAOYICRIH-GXFFZTMASA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@H]1F ZINC000593970927 347975087 /nfs/dbraw/zinc/97/50/87/347975087.db2.gz RFAOESAOYICRIH-GXFFZTMASA-N 1 2 233.290 2.133 20 30 BEEDLO N#CCCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000593972549 347977600 /nfs/dbraw/zinc/97/76/00/347977600.db2.gz DUPZKXRTQWHCAE-UHFFFAOYSA-N 1 2 242.282 2.357 20 30 BEEDLO Cc1cc(C)c(CNC(=O)CCCCC#N)c[nH+]1 ZINC000594044352 347987821 /nfs/dbraw/zinc/98/78/21/347987821.db2.gz OYINRSFCAQECJT-UHFFFAOYSA-N 1 2 245.326 2.399 20 30 BEEDLO C=CCC[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000594714369 348105415 /nfs/dbraw/zinc/10/54/15/348105415.db2.gz YKPUUBQBJJFQBX-CYBMUJFWSA-N 1 2 233.311 2.375 20 30 BEEDLO N#CCC[NH2+]Cc1cccc(OC2CC2)c1F ZINC000594717000 348106148 /nfs/dbraw/zinc/10/61/48/348106148.db2.gz ZWRQLDYXWBDXLV-UHFFFAOYSA-N 1 2 234.274 2.370 20 30 BEEDLO Cc1cc(C[NH2+]CC2(C#N)CCCCC2)nn1C ZINC000594980888 348164329 /nfs/dbraw/zinc/16/43/29/348164329.db2.gz CDBHWVGPGNHJIC-UHFFFAOYSA-N 1 2 246.358 2.292 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595293025 348215150 /nfs/dbraw/zinc/21/51/50/348215150.db2.gz WIIRKBHRRWXJGW-UHFFFAOYSA-N 1 2 239.275 2.289 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595293025 348215151 /nfs/dbraw/zinc/21/51/51/348215151.db2.gz WIIRKBHRRWXJGW-UHFFFAOYSA-N 1 2 239.275 2.289 20 30 BEEDLO C[N@H+](CCc1ccc(C#N)cc1)CC(F)F ZINC000595307229 348222171 /nfs/dbraw/zinc/22/21/71/348222171.db2.gz KCNFGVNWLUJGJO-UHFFFAOYSA-N 1 2 224.254 2.298 20 30 BEEDLO C[N@@H+](CCc1ccc(C#N)cc1)CC(F)F ZINC000595307229 348222173 /nfs/dbraw/zinc/22/21/73/348222173.db2.gz KCNFGVNWLUJGJO-UHFFFAOYSA-N 1 2 224.254 2.298 20 30 BEEDLO C=C1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595310990 348223638 /nfs/dbraw/zinc/22/36/38/348223638.db2.gz GKSFEZIURCEMIR-UHFFFAOYSA-N 1 2 237.259 2.043 20 30 BEEDLO COC[C@@H]1CC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595329509 348227649 /nfs/dbraw/zinc/22/76/49/348227649.db2.gz GWZMPQUOBBTVGL-TZMCWYRMSA-N 1 2 230.311 2.220 20 30 BEEDLO COC[C@@H]1CC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000595329509 348227650 /nfs/dbraw/zinc/22/76/50/348227650.db2.gz GWZMPQUOBBTVGL-TZMCWYRMSA-N 1 2 230.311 2.220 20 30 BEEDLO Cn1c[nH+]c(CN(CCC#N)CC(C)(C)C)c1 ZINC000595329256 348227658 /nfs/dbraw/zinc/22/76/58/348227658.db2.gz OXNGUKGHCUCHNK-UHFFFAOYSA-N 1 2 234.347 2.182 20 30 BEEDLO C[C@@]1(C#N)CCC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000595424465 348245995 /nfs/dbraw/zinc/24/59/95/348245995.db2.gz IQFCKDJCAYJDMV-MNOVXSKESA-N 1 2 244.285 2.036 20 30 BEEDLO C[C@@]1(C#N)CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000595424465 348245996 /nfs/dbraw/zinc/24/59/96/348245996.db2.gz IQFCKDJCAYJDMV-MNOVXSKESA-N 1 2 244.285 2.036 20 30 BEEDLO N#C[C@]1(F)CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000595455305 348254645 /nfs/dbraw/zinc/25/46/45/348254645.db2.gz MDCXDVXNEPRGAI-FVCCEPFGSA-N 1 2 222.307 2.360 20 30 BEEDLO N#C[C@]1(F)CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000595455305 348254647 /nfs/dbraw/zinc/25/46/47/348254647.db2.gz MDCXDVXNEPRGAI-FVCCEPFGSA-N 1 2 222.307 2.360 20 30 BEEDLO C[C@H](O)C[C@H]1CCC[N@@H+]1[C@H](C#N)c1ccccc1 ZINC000595396426 348237595 /nfs/dbraw/zinc/23/75/95/348237595.db2.gz LRYFIRJQPIFRLZ-NWANDNLSSA-N 1 2 244.338 2.487 20 30 BEEDLO C[C@H](O)C[C@H]1CCC[N@H+]1[C@H](C#N)c1ccccc1 ZINC000595396426 348237596 /nfs/dbraw/zinc/23/75/96/348237596.db2.gz LRYFIRJQPIFRLZ-NWANDNLSSA-N 1 2 244.338 2.487 20 30 BEEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000595521518 348269960 /nfs/dbraw/zinc/26/99/60/348269960.db2.gz DNAPNGIZEJPJJU-UKRRQHHQSA-N 1 2 244.338 2.346 20 30 BEEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CCCO)C1 ZINC000595521518 348269962 /nfs/dbraw/zinc/26/99/62/348269962.db2.gz DNAPNGIZEJPJJU-UKRRQHHQSA-N 1 2 244.338 2.346 20 30 BEEDLO C[C@H](C#N)[N@H+](C[C@@H]1CCO[C@H](C)C1)C1CC1 ZINC000595709916 348321405 /nfs/dbraw/zinc/32/14/05/348321405.db2.gz KJXSRNJDNCYFTA-IJLUTSLNSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@H](C#N)[N@@H+](C[C@@H]1CCO[C@H](C)C1)C1CC1 ZINC000595709916 348321406 /nfs/dbraw/zinc/32/14/06/348321406.db2.gz KJXSRNJDNCYFTA-IJLUTSLNSA-N 1 2 222.332 2.178 20 30 BEEDLO CC[N@H+](CCc1ccc(OC)cc1)[C@H](C)C#N ZINC000595811317 348351157 /nfs/dbraw/zinc/35/11/57/348351157.db2.gz APVAIDDFZHDFAS-GFCCVEGCSA-N 1 2 232.327 2.472 20 30 BEEDLO CC[N@@H+](CCc1ccc(OC)cc1)[C@H](C)C#N ZINC000595811317 348351159 /nfs/dbraw/zinc/35/11/59/348351159.db2.gz APVAIDDFZHDFAS-GFCCVEGCSA-N 1 2 232.327 2.472 20 30 BEEDLO COCCCCC[N@H+]([C@H](C)C#N)C1CC1 ZINC000595721500 348327628 /nfs/dbraw/zinc/32/76/28/348327628.db2.gz SBCAACPRNBPGEO-LLVKDONJSA-N 1 2 210.321 2.180 20 30 BEEDLO COCCCCC[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595721500 348327629 /nfs/dbraw/zinc/32/76/29/348327629.db2.gz SBCAACPRNBPGEO-LLVKDONJSA-N 1 2 210.321 2.180 20 30 BEEDLO CC[N@H+](CCCOC(C)(C)C)[C@H](C)C#N ZINC000595812451 348351632 /nfs/dbraw/zinc/35/16/32/348351632.db2.gz FJLPBCRKBACKRL-LLVKDONJSA-N 1 2 212.337 2.426 20 30 BEEDLO CC[N@@H+](CCCOC(C)(C)C)[C@H](C)C#N ZINC000595812451 348351634 /nfs/dbraw/zinc/35/16/34/348351634.db2.gz FJLPBCRKBACKRL-LLVKDONJSA-N 1 2 212.337 2.426 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](CCOc2ccccc2F)C1 ZINC000595835964 348369893 /nfs/dbraw/zinc/36/98/93/348369893.db2.gz TZYGQHQXQQASBF-AWEZNQCLSA-N 1 2 248.301 2.440 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2ccccc2F)C1 ZINC000595835964 348369897 /nfs/dbraw/zinc/36/98/97/348369897.db2.gz TZYGQHQXQQASBF-AWEZNQCLSA-N 1 2 248.301 2.440 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](CCC(F)(F)F)C1 ZINC000595838455 348371769 /nfs/dbraw/zinc/37/17/69/348371769.db2.gz UQLSJQBBQPGRLQ-QMMMGPOBSA-N 1 2 206.211 2.174 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](CCC(F)(F)F)C1 ZINC000595838455 348371771 /nfs/dbraw/zinc/37/17/71/348371771.db2.gz UQLSJQBBQPGRLQ-QMMMGPOBSA-N 1 2 206.211 2.174 20 30 BEEDLO CCc1noc(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838443 348371989 /nfs/dbraw/zinc/37/19/89/348371989.db2.gz UISIXFVMCTZOER-ZDUSSCGKSA-N 1 2 233.315 2.281 20 30 BEEDLO CCc1noc(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595838443 348371990 /nfs/dbraw/zinc/37/19/90/348371990.db2.gz UISIXFVMCTZOER-ZDUSSCGKSA-N 1 2 233.315 2.281 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000595844478 348382218 /nfs/dbraw/zinc/38/22/18/348382218.db2.gz TUCNYMSWSCPWQB-CQSZACIVSA-N 1 2 243.285 2.433 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000595844478 348382222 /nfs/dbraw/zinc/38/22/22/348382222.db2.gz TUCNYMSWSCPWQB-CQSZACIVSA-N 1 2 243.285 2.433 20 30 BEEDLO N#C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595827787 348364174 /nfs/dbraw/zinc/36/41/74/348364174.db2.gz QZZYOABRKHKWTH-RRFJBIMHSA-N 1 2 242.322 2.220 20 30 BEEDLO N#C[C@H](c1ccccc1)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595827787 348364177 /nfs/dbraw/zinc/36/41/77/348364177.db2.gz QZZYOABRKHKWTH-RRFJBIMHSA-N 1 2 242.322 2.220 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595832293 348365691 /nfs/dbraw/zinc/36/56/91/348365691.db2.gz ACWJIAMCYKJVBB-ZDUSSCGKSA-N 1 2 245.282 2.330 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595832293 348365692 /nfs/dbraw/zinc/36/56/92/348365692.db2.gz ACWJIAMCYKJVBB-ZDUSSCGKSA-N 1 2 245.282 2.330 20 30 BEEDLO C[C@H]1C[N@H+](CCCC#N)C[C@@](C)(C(F)F)O1 ZINC000595922341 348401853 /nfs/dbraw/zinc/40/18/53/348401853.db2.gz OWFUKQPKWWLNQZ-ONGXEEELSA-N 1 2 232.274 2.035 20 30 BEEDLO C[C@H]1C[N@@H+](CCCC#N)C[C@@](C)(C(F)F)O1 ZINC000595922341 348401856 /nfs/dbraw/zinc/40/18/56/348401856.db2.gz OWFUKQPKWWLNQZ-ONGXEEELSA-N 1 2 232.274 2.035 20 30 BEEDLO N#CCC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000596065463 348436282 /nfs/dbraw/zinc/43/62/82/348436282.db2.gz HJLSGIXPPBVGGW-UHFFFAOYSA-N 1 2 244.216 2.430 20 30 BEEDLO Cc1cc(N2CCC[C@H](CC#N)C2)c(C#N)c[nH+]1 ZINC000596326318 348508134 /nfs/dbraw/zinc/50/81/34/348508134.db2.gz RNZHRZBABYMKFH-GFCCVEGCSA-N 1 2 240.310 2.392 20 30 BEEDLO Cc1nsc(N[C@H](C)c2[nH+]ccn2C)c1C#N ZINC000596544127 348584416 /nfs/dbraw/zinc/58/44/16/348584416.db2.gz YYHYUIMSYJYDLR-MRVPVSSYSA-N 1 2 247.327 2.230 20 30 BEEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](CC2(C#N)CC2)C1 ZINC000596597144 348589518 /nfs/dbraw/zinc/58/95/18/348589518.db2.gz JTEKJJLOUFTSAD-UHFFFAOYSA-N 1 2 244.342 2.098 20 30 BEEDLO CC1(C)Cc2n[nH]cc2C[N@H+](CC2(C#N)CC2)C1 ZINC000596597144 348589521 /nfs/dbraw/zinc/58/95/21/348589521.db2.gz JTEKJJLOUFTSAD-UHFFFAOYSA-N 1 2 244.342 2.098 20 30 BEEDLO Cc1cc(NCCC(C)(C)F)c(C#N)c[nH+]1 ZINC000596468932 348562546 /nfs/dbraw/zinc/56/25/46/348562546.db2.gz PWRHDADSUSAJKO-UHFFFAOYSA-N 1 2 221.279 2.234 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1ccc(F)c(F)c1F ZINC000597082435 348658496 /nfs/dbraw/zinc/65/84/96/348658496.db2.gz JVQGPXLDCSWBFU-SSDOTTSWSA-N 1 2 228.217 2.353 20 30 BEEDLO N#CCC1C[NH+](Cc2cnc(C3CC3)s2)C1 ZINC000597193541 348671567 /nfs/dbraw/zinc/67/15/67/348671567.db2.gz GIORVAHFVYCMJO-UHFFFAOYSA-N 1 2 233.340 2.366 20 30 BEEDLO N#CCC1C[NH+](Cc2cccc(O)c2Cl)C1 ZINC000597202906 348677192 /nfs/dbraw/zinc/67/71/92/348677192.db2.gz FIRNVYDZUROIQX-UHFFFAOYSA-N 1 2 236.702 2.391 20 30 BEEDLO C[C@@]1(C2CC2)C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000597180506 348681817 /nfs/dbraw/zinc/68/18/17/348681817.db2.gz PZBKOXQPBLSJCY-AWEZNQCLSA-N 1 2 246.310 2.152 20 30 BEEDLO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000597180506 348681820 /nfs/dbraw/zinc/68/18/20/348681820.db2.gz PZBKOXQPBLSJCY-AWEZNQCLSA-N 1 2 246.310 2.152 20 30 BEEDLO COCc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)o1 ZINC000597229096 348696975 /nfs/dbraw/zinc/69/69/75/348696975.db2.gz JACXUNHKIYFBKB-CYBMUJFWSA-N 1 2 234.299 2.162 20 30 BEEDLO COCc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)o1 ZINC000597229096 348696977 /nfs/dbraw/zinc/69/69/77/348696977.db2.gz JACXUNHKIYFBKB-CYBMUJFWSA-N 1 2 234.299 2.162 20 30 BEEDLO COc1ccsc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597231653 348700009 /nfs/dbraw/zinc/70/00/09/348700009.db2.gz ZQPBVVLCCZDWSQ-LBPRGKRZSA-N 1 2 236.340 2.492 20 30 BEEDLO COc1ccsc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597231653 348700011 /nfs/dbraw/zinc/70/00/11/348700011.db2.gz ZQPBVVLCCZDWSQ-LBPRGKRZSA-N 1 2 236.340 2.492 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000054179081 348890861 /nfs/dbraw/zinc/89/08/61/348890861.db2.gz IWAITLPBNGRXIS-LBPRGKRZSA-N 1 2 240.310 2.122 20 30 BEEDLO CCOc1cncc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000598677699 349021005 /nfs/dbraw/zinc/02/10/05/349021005.db2.gz YSAYEKGSGGFNGH-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO CCOc1cncc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000598677699 349021008 /nfs/dbraw/zinc/02/10/08/349021008.db2.gz YSAYEKGSGGFNGH-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO CCC(F)(F)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000599069382 349087087 /nfs/dbraw/zinc/08/70/87/349087087.db2.gz YDIYKKCIZXEOGN-RKDXNWHRSA-N 1 2 202.248 2.314 20 30 BEEDLO Cc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1C#N ZINC000599278815 349138524 /nfs/dbraw/zinc/13/85/24/349138524.db2.gz IAABLISQNSLYNP-NSHDSACASA-N 1 2 227.311 2.458 20 30 BEEDLO Cc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1C#N ZINC000599278815 349138530 /nfs/dbraw/zinc/13/85/30/349138530.db2.gz IAABLISQNSLYNP-NSHDSACASA-N 1 2 227.311 2.458 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000599641371 349238535 /nfs/dbraw/zinc/23/85/35/349238535.db2.gz GRDNEJWTXDKUPT-CQSZACIVSA-N 1 2 248.301 2.119 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000599641371 349238539 /nfs/dbraw/zinc/23/85/39/349238539.db2.gz GRDNEJWTXDKUPT-CQSZACIVSA-N 1 2 248.301 2.119 20 30 BEEDLO CC#CC[N@@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599493914 349204350 /nfs/dbraw/zinc/20/43/50/349204350.db2.gz CVEXMFXYCQJNJT-AWEZNQCLSA-N 1 2 237.343 2.206 20 30 BEEDLO CC#CC[N@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599493914 349204353 /nfs/dbraw/zinc/20/43/53/349204353.db2.gz CVEXMFXYCQJNJT-AWEZNQCLSA-N 1 2 237.343 2.206 20 30 BEEDLO C=CCCC[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000211761693 349282188 /nfs/dbraw/zinc/28/21/88/349282188.db2.gz IAHADYVXXYOQKQ-CQSZACIVSA-N 1 2 247.338 2.327 20 30 BEEDLO N#CCC[C@H](C#N)C[NH+]1CC(Cc2ccco2)C1 ZINC000601965339 349403976 /nfs/dbraw/zinc/40/39/76/349403976.db2.gz UISUZLYNULSUFI-GFCCVEGCSA-N 1 2 243.310 2.197 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ncccc1C ZINC000070908895 350075341 /nfs/dbraw/zinc/07/53/41/350075341.db2.gz KBSMWMXKXFXZRQ-LLVKDONJSA-N 1 2 203.289 2.172 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1ccccc1C ZINC000304195806 350238410 /nfs/dbraw/zinc/23/84/10/350238410.db2.gz AXSYTESICVMBPW-ZDUSSCGKSA-N 1 2 233.311 2.154 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccccc1C ZINC000304195806 350238413 /nfs/dbraw/zinc/23/84/13/350238413.db2.gz AXSYTESICVMBPW-ZDUSSCGKSA-N 1 2 233.311 2.154 20 30 BEEDLO CO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000177298273 365992165 /nfs/dbraw/zinc/99/21/65/365992165.db2.gz PEDYPHWMKJANMG-CQSZACIVSA-N 1 2 248.301 2.308 20 30 BEEDLO CO[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000177298273 365992167 /nfs/dbraw/zinc/99/21/67/365992167.db2.gz PEDYPHWMKJANMG-CQSZACIVSA-N 1 2 248.301 2.308 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000339165994 350738928 /nfs/dbraw/zinc/73/89/28/350738928.db2.gz ZZWJCESOZWFKBS-GFCCVEGCSA-N 1 2 249.358 2.214 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccncc1Cl ZINC000339754583 350818418 /nfs/dbraw/zinc/81/84/18/350818418.db2.gz SGEBMTDRZKCNHS-UHFFFAOYSA-N 1 2 208.692 2.190 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccncc1Cl ZINC000339754583 350818421 /nfs/dbraw/zinc/81/84/21/350818421.db2.gz SGEBMTDRZKCNHS-UHFFFAOYSA-N 1 2 208.692 2.190 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC000339754621 350819051 /nfs/dbraw/zinc/81/90/51/350819051.db2.gz TWMZBCUJYHBCRA-UHFFFAOYSA-N 1 2 249.285 2.067 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC000339754621 350819055 /nfs/dbraw/zinc/81/90/55/350819055.db2.gz TWMZBCUJYHBCRA-UHFFFAOYSA-N 1 2 249.285 2.067 20 30 BEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000339764544 350823715 /nfs/dbraw/zinc/82/37/15/350823715.db2.gz SEXRKBRRALTBPQ-UHFFFAOYSA-N 1 2 248.301 2.028 20 30 BEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000339764544 350823717 /nfs/dbraw/zinc/82/37/17/350823717.db2.gz SEXRKBRRALTBPQ-UHFFFAOYSA-N 1 2 248.301 2.028 20 30 BEEDLO C=CC1CC[NH+](Cc2noc(CCC)n2)CC1 ZINC000111257405 191130276 /nfs/dbraw/zinc/13/02/76/191130276.db2.gz NRAJTWMWEOMILO-UHFFFAOYSA-N 1 2 235.331 2.420 20 30 BEEDLO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(C#N)CC1 ZINC000057908202 191132504 /nfs/dbraw/zinc/13/25/04/191132504.db2.gz UBLITSDLFGCCFW-SECBINFHSA-N 1 2 246.314 2.244 20 30 BEEDLO CC(C)c1noc([C@H](C)[NH+]2CCC(C#N)CC2)n1 ZINC000057908141 191131930 /nfs/dbraw/zinc/13/19/30/191131930.db2.gz RUNRVNFYSPSQIM-JTQLQIEISA-N 1 2 248.330 2.490 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000271109012 351401272 /nfs/dbraw/zinc/40/12/72/351401272.db2.gz ABANGZJVOBWHMG-LLVKDONJSA-N 1 2 249.333 2.483 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000271109012 351401274 /nfs/dbraw/zinc/40/12/74/351401274.db2.gz ABANGZJVOBWHMG-LLVKDONJSA-N 1 2 249.333 2.483 20 30 BEEDLO CCc1ncc(C[N@H+](C)C[C@H](C)C#N)s1 ZINC000271119093 351401922 /nfs/dbraw/zinc/40/19/22/351401922.db2.gz GQMNZECFTGKDCO-SECBINFHSA-N 1 2 223.345 2.297 20 30 BEEDLO CCc1ncc(C[N@@H+](C)C[C@H](C)C#N)s1 ZINC000271119093 351401927 /nfs/dbraw/zinc/40/19/27/351401927.db2.gz GQMNZECFTGKDCO-SECBINFHSA-N 1 2 223.345 2.297 20 30 BEEDLO CCc1nn(C)c(CC)c1C[N@H+](C)C[C@@H](C)C#N ZINC000271121295 351402292 /nfs/dbraw/zinc/40/22/92/351402292.db2.gz HWIJZFVNQJDKEN-NSHDSACASA-N 1 2 248.374 2.136 20 30 BEEDLO CCc1nn(C)c(CC)c1C[N@@H+](C)C[C@@H](C)C#N ZINC000271121295 351402294 /nfs/dbraw/zinc/40/22/94/351402294.db2.gz HWIJZFVNQJDKEN-NSHDSACASA-N 1 2 248.374 2.136 20 30 BEEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)cc(OC)c1 ZINC000271140057 351403688 /nfs/dbraw/zinc/40/36/88/351403688.db2.gz UXGGPPXOOAGZKM-NSHDSACASA-N 1 2 248.326 2.295 20 30 BEEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc(OC)c1 ZINC000271140057 351403693 /nfs/dbraw/zinc/40/36/93/351403693.db2.gz UXGGPPXOOAGZKM-NSHDSACASA-N 1 2 248.326 2.295 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000271707914 351428849 /nfs/dbraw/zinc/42/88/49/351428849.db2.gz GBFLIYQUCIPUJU-NSHDSACASA-N 1 2 242.326 2.307 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000271707914 351428852 /nfs/dbraw/zinc/42/88/52/351428852.db2.gz GBFLIYQUCIPUJU-NSHDSACASA-N 1 2 242.326 2.307 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC000271813620 351438842 /nfs/dbraw/zinc/43/88/42/351438842.db2.gz NQZUKEKWOIUMPF-UHFFFAOYSA-N 1 2 242.326 2.309 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC000271813620 351438846 /nfs/dbraw/zinc/43/88/46/351438846.db2.gz NQZUKEKWOIUMPF-UHFFFAOYSA-N 1 2 242.326 2.309 20 30 BEEDLO N#Cc1cccc2c1C[N@H+](CCC1(O)CCC1)C2 ZINC000405047840 351546722 /nfs/dbraw/zinc/54/67/22/351546722.db2.gz HTWAXCSTZJHCRH-UHFFFAOYSA-N 1 2 242.322 2.179 20 30 BEEDLO N#Cc1cccc2c1C[N@@H+](CCC1(O)CCC1)C2 ZINC000405047840 351546724 /nfs/dbraw/zinc/54/67/24/351546724.db2.gz HTWAXCSTZJHCRH-UHFFFAOYSA-N 1 2 242.322 2.179 20 30 BEEDLO Cc1ccc(C[NH2+]C[C@H](C#N)CCC#N)nc1C ZINC000577742316 366048758 /nfs/dbraw/zinc/04/87/58/366048758.db2.gz LIMRRPIVBKJRDG-ZDUSSCGKSA-N 1 2 242.326 2.232 20 30 BEEDLO C=CCOCCC[N@H+]1CCC[C@H]1C(F)F ZINC000353192828 351811760 /nfs/dbraw/zinc/81/17/60/351811760.db2.gz MEALIOIWDTXWCW-JTQLQIEISA-N 1 2 219.275 2.309 20 30 BEEDLO C=CCOCCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353192828 351811761 /nfs/dbraw/zinc/81/17/61/351811761.db2.gz MEALIOIWDTXWCW-JTQLQIEISA-N 1 2 219.275 2.309 20 30 BEEDLO C=CCOCCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353192830 351812049 /nfs/dbraw/zinc/81/20/49/351812049.db2.gz MEALIOIWDTXWCW-SNVBAGLBSA-N 1 2 219.275 2.309 20 30 BEEDLO C=CCOCCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353192830 351812056 /nfs/dbraw/zinc/81/20/56/351812056.db2.gz MEALIOIWDTXWCW-SNVBAGLBSA-N 1 2 219.275 2.309 20 30 BEEDLO C[C@H](O)CCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405124650 351855098 /nfs/dbraw/zinc/85/50/98/351855098.db2.gz NBWQODXUJCVTNV-NSHDSACASA-N 1 2 230.311 2.035 20 30 BEEDLO C[C@H](O)CCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405124650 351855099 /nfs/dbraw/zinc/85/50/99/351855099.db2.gz NBWQODXUJCVTNV-NSHDSACASA-N 1 2 230.311 2.035 20 30 BEEDLO COc1cccc(/C=[NH+]/[C@@H](C)[C@@H]2CCOC2)c1O ZINC000280987119 351869275 /nfs/dbraw/zinc/86/92/75/351869275.db2.gz KMZLNRSXVIROGW-JNHRFPILSA-N 1 2 249.310 2.245 20 30 BEEDLO COc1cccc(/C=[NH+]/[C@@H](C)[C@H]2CCOC2)c1O ZINC000280987122 351869695 /nfs/dbraw/zinc/86/96/95/351869695.db2.gz KMZLNRSXVIROGW-XNBXCYNHSA-N 1 2 249.310 2.245 20 30 BEEDLO CCn1cc(CC[N@H+](CC#N)C2CCCC2)cn1 ZINC000284829600 352007648 /nfs/dbraw/zinc/00/76/48/352007648.db2.gz BCOZEZSCBDIRAA-UHFFFAOYSA-N 1 2 246.358 2.214 20 30 BEEDLO CCn1cc(CC[N@@H+](CC#N)C2CCCC2)cn1 ZINC000284829600 352007650 /nfs/dbraw/zinc/00/76/50/352007650.db2.gz BCOZEZSCBDIRAA-UHFFFAOYSA-N 1 2 246.358 2.214 20 30 BEEDLO CCc1ccc(CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284447721 351997388 /nfs/dbraw/zinc/99/73/88/351997388.db2.gz PTUSJUBQDVTZDP-CYBMUJFWSA-N 1 2 248.326 2.217 20 30 BEEDLO NC(=[NH+]OC/C=C/c1ccccc1)[C@@H]1CCCO1 ZINC000284509640 351999008 /nfs/dbraw/zinc/99/90/08/351999008.db2.gz UAAODPMYTALJFC-GBVBUYCNSA-N 1 2 246.310 2.168 20 30 BEEDLO CCn1nccc1CC[N@H+](CC#N)C1CCCC1 ZINC000284558975 351999586 /nfs/dbraw/zinc/99/95/86/351999586.db2.gz YEKNNSIBMJBPDM-UHFFFAOYSA-N 1 2 246.358 2.214 20 30 BEEDLO CCn1nccc1CC[N@@H+](CC#N)C1CCCC1 ZINC000284558975 351999590 /nfs/dbraw/zinc/99/95/90/351999590.db2.gz YEKNNSIBMJBPDM-UHFFFAOYSA-N 1 2 246.358 2.214 20 30 BEEDLO N#CCC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285153574 352025556 /nfs/dbraw/zinc/02/55/56/352025556.db2.gz AAIXDABDLZLQIR-UHFFFAOYSA-N 1 2 202.257 2.282 20 30 BEEDLO N#CCC[N@H+]1CCC=C(c2ccco2)C1 ZINC000285153574 352025560 /nfs/dbraw/zinc/02/55/60/352025560.db2.gz AAIXDABDLZLQIR-UHFFFAOYSA-N 1 2 202.257 2.282 20 30 BEEDLO Cc1cc[nH+]cc1CCCN(CC#N)C1CC1 ZINC000289149182 352172970 /nfs/dbraw/zinc/17/29/70/352172970.db2.gz QCHQMBDYWCWOQM-UHFFFAOYSA-N 1 2 229.327 2.311 20 30 BEEDLO Cc1cnn(C)c1C[N@@H+](CCC#N)CCC(C)C ZINC000289446279 352186642 /nfs/dbraw/zinc/18/66/42/352186642.db2.gz WZEXRKQAUUVMLA-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO Cc1cnn(C)c1C[N@H+](CCC#N)CCC(C)C ZINC000289446279 352186644 /nfs/dbraw/zinc/18/66/44/352186644.db2.gz WZEXRKQAUUVMLA-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@@H]1CCCC1(C)C)C(=O)OC ZINC000386994645 363172908 /nfs/dbraw/zinc/17/29/08/363172908.db2.gz GOIXBLXNAXOBQJ-WDEREUQCSA-N 1 2 225.332 2.130 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1ccc(CO)cc1 ZINC000292039587 352299199 /nfs/dbraw/zinc/29/91/99/352299199.db2.gz AIQAEKSORVJDGZ-UHFFFAOYSA-N 1 2 230.311 2.081 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1ccc(CO)cc1 ZINC000292039587 352299201 /nfs/dbraw/zinc/29/92/01/352299201.db2.gz AIQAEKSORVJDGZ-UHFFFAOYSA-N 1 2 230.311 2.081 20 30 BEEDLO C=CC[N@@H+](CCC#N)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000292097572 352302049 /nfs/dbraw/zinc/30/20/49/352302049.db2.gz GCKIBMANVPJKKC-CABCVRRESA-N 1 2 242.322 2.046 20 30 BEEDLO C=CC[N@H+](CCC#N)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000292097572 352302052 /nfs/dbraw/zinc/30/20/52/352302052.db2.gz GCKIBMANVPJKKC-CABCVRRESA-N 1 2 242.322 2.046 20 30 BEEDLO COC(=O)[C@H](C)[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000411389375 191183027 /nfs/dbraw/zinc/18/30/27/191183027.db2.gz MDEYTUCQNWUFBV-YPMHNXCESA-N 1 2 246.310 2.040 20 30 BEEDLO C=C[C@H]1CCCCN1Cc1[nH+]cc(C)n1C ZINC000342854358 352876707 /nfs/dbraw/zinc/87/67/07/352876707.db2.gz QIOCUAMXGCCCIH-LBPRGKRZSA-N 1 2 219.332 2.269 20 30 BEEDLO COc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccn1 ZINC000342873372 352884688 /nfs/dbraw/zinc/88/46/88/352884688.db2.gz IJOQHEFUDUZFHE-NSHDSACASA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccn1 ZINC000342873372 352884689 /nfs/dbraw/zinc/88/46/89/352884689.db2.gz IJOQHEFUDUZFHE-NSHDSACASA-N 1 2 245.326 2.214 20 30 BEEDLO Cc1nc(C2CC2)oc1C(=O)NCc1c[nH+]c[nH]1 ZINC000329523041 538109143 /nfs/dbraw/zinc/10/91/43/538109143.db2.gz PRSDALAYKGGRHN-UHFFFAOYSA-N 1 2 246.270 2.088 20 30 BEEDLO Cc1nc(C2CC2)oc1C(=O)NCc1c[nH]c[nH+]1 ZINC000329523041 538109144 /nfs/dbraw/zinc/10/91/44/538109144.db2.gz PRSDALAYKGGRHN-UHFFFAOYSA-N 1 2 246.270 2.088 20 30 BEEDLO C=CC[N@@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000127144454 353263589 /nfs/dbraw/zinc/26/35/89/353263589.db2.gz ODQVPPYDQHTOIE-MRVPVSSYSA-N 1 2 207.277 2.126 20 30 BEEDLO C=CC[N@H+](C)[C@H](C)c1nc(C2CC2)no1 ZINC000127144454 353263593 /nfs/dbraw/zinc/26/35/93/353263593.db2.gz ODQVPPYDQHTOIE-MRVPVSSYSA-N 1 2 207.277 2.126 20 30 BEEDLO CC[N@@H+](Cc1c(C)noc1C)C[C@@H](C)C#N ZINC000128014172 353279217 /nfs/dbraw/zinc/27/92/17/353279217.db2.gz VKMOTJDHVWWPHC-VIFPVBQESA-N 1 2 221.304 2.273 20 30 BEEDLO CC[N@H+](Cc1c(C)noc1C)C[C@@H](C)C#N ZINC000128014172 353279220 /nfs/dbraw/zinc/27/92/20/353279220.db2.gz VKMOTJDHVWWPHC-VIFPVBQESA-N 1 2 221.304 2.273 20 30 BEEDLO C#CC[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128502661 353290101 /nfs/dbraw/zinc/29/01/01/353290101.db2.gz XIJYUVMIQNGULS-AWEZNQCLSA-N 1 2 233.286 2.141 20 30 BEEDLO C#CC[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000128502661 353290106 /nfs/dbraw/zinc/29/01/06/353290106.db2.gz XIJYUVMIQNGULS-AWEZNQCLSA-N 1 2 233.286 2.141 20 30 BEEDLO C=CCCSc1[nH+]cnc2c1cnn2C ZINC000128737646 353291853 /nfs/dbraw/zinc/29/18/53/353291853.db2.gz FGZKSOUUVVRJME-UHFFFAOYSA-N 1 2 220.301 2.032 20 30 BEEDLO CC#CC[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000265975014 188261315 /nfs/dbraw/zinc/26/13/15/188261315.db2.gz BIDCCKLDDPLXOA-UHFFFAOYSA-N 1 2 233.315 2.150 20 30 BEEDLO C#CC[C@H]([NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC000271736064 188262750 /nfs/dbraw/zinc/26/27/50/188262750.db2.gz UBOSXIPXFJCIBI-ZDUSSCGKSA-N 1 2 241.294 2.232 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000162978406 353334561 /nfs/dbraw/zinc/33/45/61/353334561.db2.gz GHULRLZICKHMPK-UHFFFAOYSA-N 1 2 243.690 2.217 20 30 BEEDLO Cc1cncc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000189922983 353336955 /nfs/dbraw/zinc/33/69/55/353336955.db2.gz AOXUZPFCCMOXNT-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1cncc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000189922983 353336956 /nfs/dbraw/zinc/33/69/56/353336956.db2.gz AOXUZPFCCMOXNT-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO C=CCCC[N@@H+](C)Cc1noc(CC)n1 ZINC000076735013 353340576 /nfs/dbraw/zinc/34/05/76/353340576.db2.gz GQQLIHFESZEEQQ-UHFFFAOYSA-N 1 2 209.293 2.030 20 30 BEEDLO C=CCCC[N@H+](C)Cc1noc(CC)n1 ZINC000076735013 353340578 /nfs/dbraw/zinc/34/05/78/353340578.db2.gz GQQLIHFESZEEQQ-UHFFFAOYSA-N 1 2 209.293 2.030 20 30 BEEDLO CC#CC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000157805054 188331502 /nfs/dbraw/zinc/33/15/02/188331502.db2.gz GCZJRWMZCIWKFN-HIFRSBDPSA-N 1 2 229.323 2.472 20 30 BEEDLO CC#CC[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000157805054 188331504 /nfs/dbraw/zinc/33/15/04/188331504.db2.gz GCZJRWMZCIWKFN-HIFRSBDPSA-N 1 2 229.323 2.472 20 30 BEEDLO C=C(C)CCc1noc(CCn2cc[nH+]c2)n1 ZINC000285081625 353529804 /nfs/dbraw/zinc/52/98/04/353529804.db2.gz JRTNHIGVXMKGRT-UHFFFAOYSA-N 1 2 232.287 2.018 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000192218749 353536677 /nfs/dbraw/zinc/53/66/77/353536677.db2.gz NUEALZDVDYOARH-UHFFFAOYSA-N 1 2 232.308 2.468 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC000192218749 353536679 /nfs/dbraw/zinc/53/66/79/353536679.db2.gz NUEALZDVDYOARH-UHFFFAOYSA-N 1 2 232.308 2.468 20 30 BEEDLO C#CC[N@@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000192221016 353538133 /nfs/dbraw/zinc/53/81/33/353538133.db2.gz ZIKDXKDVWJWIMY-UHFFFAOYSA-N 1 2 247.729 2.292 20 30 BEEDLO C#CC[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000192221016 353538138 /nfs/dbraw/zinc/53/81/38/353538138.db2.gz ZIKDXKDVWJWIMY-UHFFFAOYSA-N 1 2 247.729 2.292 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cncc(C)c1 ZINC000227302009 363233483 /nfs/dbraw/zinc/23/34/83/363233483.db2.gz CFSLMTSPSUGDAZ-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cncc(C)c1 ZINC000227302009 363233485 /nfs/dbraw/zinc/23/34/85/363233485.db2.gz CFSLMTSPSUGDAZ-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO C=CCN(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287677019 353583708 /nfs/dbraw/zinc/58/37/08/353583708.db2.gz YAFZJLRQQSXWSQ-UHFFFAOYSA-N 1 2 219.288 2.348 20 30 BEEDLO C=CCCCC(=O)OCc1c[nH+]ccc1OC ZINC000286918811 353566637 /nfs/dbraw/zinc/56/66/37/353566637.db2.gz IFXPTUDDASEDSV-UHFFFAOYSA-N 1 2 235.283 2.490 20 30 BEEDLO COc1ccc(C[N@H+](C)CC2(C#N)CC2)cc1O ZINC000343324307 353705308 /nfs/dbraw/zinc/70/53/08/353705308.db2.gz WVRIBWTZEVBRSC-UHFFFAOYSA-N 1 2 246.310 2.136 20 30 BEEDLO COc1ccc(C[N@@H+](C)CC2(C#N)CC2)cc1O ZINC000343324307 353705310 /nfs/dbraw/zinc/70/53/10/353705310.db2.gz WVRIBWTZEVBRSC-UHFFFAOYSA-N 1 2 246.310 2.136 20 30 BEEDLO C=CCC[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000292857303 353726771 /nfs/dbraw/zinc/72/67/71/353726771.db2.gz GQKHSVDAFXSSSN-UHFFFAOYSA-N 1 2 222.336 2.110 20 30 BEEDLO C=CCC[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000292857303 353726775 /nfs/dbraw/zinc/72/67/75/353726775.db2.gz GQKHSVDAFXSSSN-UHFFFAOYSA-N 1 2 222.336 2.110 20 30 BEEDLO N#CC1(C[N@H+]2CCC(=O)CC23CCC3)CCC1 ZINC000580343468 353764668 /nfs/dbraw/zinc/76/46/68/353764668.db2.gz PUEXJZWQPNZAJI-UHFFFAOYSA-N 1 2 232.327 2.268 20 30 BEEDLO N#CC1(C[N@@H+]2CCC(=O)CC23CCC3)CCC1 ZINC000580343468 353764671 /nfs/dbraw/zinc/76/46/71/353764671.db2.gz PUEXJZWQPNZAJI-UHFFFAOYSA-N 1 2 232.327 2.268 20 30 BEEDLO CC#CC[N@H+](C)Cc1cn2cc(Cl)ccc2n1 ZINC000293317157 353740653 /nfs/dbraw/zinc/74/06/53/353740653.db2.gz XJNAQFSRPXBUHA-UHFFFAOYSA-N 1 2 247.729 2.443 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cn2cc(Cl)ccc2n1 ZINC000293317157 353740656 /nfs/dbraw/zinc/74/06/56/353740656.db2.gz XJNAQFSRPXBUHA-UHFFFAOYSA-N 1 2 247.729 2.443 20 30 BEEDLO C=CC[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185391576 353802755 /nfs/dbraw/zinc/80/27/55/353802755.db2.gz UZATYYXQLGKVBQ-NSHDSACASA-N 1 2 243.310 2.497 20 30 BEEDLO C=CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846008 353817682 /nfs/dbraw/zinc/81/76/82/353817682.db2.gz AJCKWUPOHVKPAI-CYBMUJFWSA-N 1 2 221.275 2.385 20 30 BEEDLO C=CC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846008 353817686 /nfs/dbraw/zinc/81/76/86/353817686.db2.gz AJCKWUPOHVKPAI-CYBMUJFWSA-N 1 2 221.275 2.385 20 30 BEEDLO C#CC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000066853194 353817807 /nfs/dbraw/zinc/81/78/07/353817807.db2.gz JMCQWDPUVKAQDS-TZMCWYRMSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000066853194 353817808 /nfs/dbraw/zinc/81/78/08/353817808.db2.gz JMCQWDPUVKAQDS-TZMCWYRMSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[NH+](CC#C)Cc1csc(C)c1 ZINC000294987043 353794921 /nfs/dbraw/zinc/79/49/21/353794921.db2.gz XUAYAAHYUGXBAA-UHFFFAOYSA-N 1 2 203.310 2.125 20 30 BEEDLO C[C@H](c1cccnc1)[N@H+](C)CC1(C#N)CC1 ZINC000343648791 353953683 /nfs/dbraw/zinc/95/36/83/353953683.db2.gz YBQLHTXNPIFITA-LLVKDONJSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1cccnc1)[N@@H+](C)CC1(C#N)CC1 ZINC000343648791 353953687 /nfs/dbraw/zinc/95/36/87/353953687.db2.gz YBQLHTXNPIFITA-LLVKDONJSA-N 1 2 215.300 2.378 20 30 BEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000334611422 354295054 /nfs/dbraw/zinc/29/50/54/354295054.db2.gz OJHOWMZHJQMTNU-ZJUUUORDSA-N 1 2 233.315 2.217 20 30 BEEDLO C=C[C@H]([NH2+]CC1CCC(C)CC1)C(=O)OC ZINC000301045166 363372693 /nfs/dbraw/zinc/37/26/93/363372693.db2.gz NIZPKGJVMJIJNM-MCIGGMRASA-N 1 2 225.332 2.130 20 30 BEEDLO C=CC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000577962579 366145708 /nfs/dbraw/zinc/14/57/08/366145708.db2.gz ZBXFCWISSUJZNW-SNVBAGLBSA-N 1 2 243.310 2.337 20 30 BEEDLO N#Cc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)o1 ZINC000268855299 181110257 /nfs/dbraw/zinc/11/02/57/181110257.db2.gz QSRCMXHUCJWXDK-LBPRGKRZSA-N 1 2 242.282 2.042 20 30 BEEDLO N#Cc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)o1 ZINC000268855299 181110258 /nfs/dbraw/zinc/11/02/58/181110258.db2.gz QSRCMXHUCJWXDK-LBPRGKRZSA-N 1 2 242.282 2.042 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](F)C2)cc1F ZINC000336263102 181105866 /nfs/dbraw/zinc/10/58/66/181105866.db2.gz RJCXPLWWMWQWIT-NSHDSACASA-N 1 2 222.238 2.241 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1F ZINC000336263102 181105869 /nfs/dbraw/zinc/10/58/69/181105869.db2.gz RJCXPLWWMWQWIT-NSHDSACASA-N 1 2 222.238 2.241 20 30 BEEDLO N#Cc1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000364032934 181115369 /nfs/dbraw/zinc/11/53/69/181115369.db2.gz KAWQWZJGESJIOO-LLVKDONJSA-N 1 2 239.282 2.018 20 30 BEEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC=C(F)C2)cc1 ZINC000272425501 181130411 /nfs/dbraw/zinc/13/04/11/181130411.db2.gz HBGRGEAQYCLKCF-AWEZNQCLSA-N 1 2 246.285 2.151 20 30 BEEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCC=C(F)C2)cc1 ZINC000272425501 181130413 /nfs/dbraw/zinc/13/04/13/181130413.db2.gz HBGRGEAQYCLKCF-AWEZNQCLSA-N 1 2 246.285 2.151 20 30 BEEDLO N#CCCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000334798132 354553168 /nfs/dbraw/zinc/55/31/68/354553168.db2.gz VSCHYWNBTXLVAA-UHFFFAOYSA-N 1 2 204.248 2.445 20 30 BEEDLO N#CCCC[N@H+]1Cc2cccc(F)c2C1 ZINC000334798132 354553171 /nfs/dbraw/zinc/55/31/71/354553171.db2.gz VSCHYWNBTXLVAA-UHFFFAOYSA-N 1 2 204.248 2.445 20 30 BEEDLO N#Cc1ccccc1Nc1ccc(N)[nH+]c1 ZINC000020585511 181149305 /nfs/dbraw/zinc/14/93/05/181149305.db2.gz YMPVUAQRICWNIY-UHFFFAOYSA-N 1 2 210.240 2.279 20 30 BEEDLO CC[N@@H+](Cc1ccc(F)cn1)C[C@H](C)C#N ZINC000346264059 354885158 /nfs/dbraw/zinc/88/51/58/354885158.db2.gz PVVKPTFDFNKRLM-SNVBAGLBSA-N 1 2 221.279 2.202 20 30 BEEDLO CC[N@H+](Cc1ccc(F)cn1)C[C@H](C)C#N ZINC000346264059 354885161 /nfs/dbraw/zinc/88/51/61/354885161.db2.gz PVVKPTFDFNKRLM-SNVBAGLBSA-N 1 2 221.279 2.202 20 30 BEEDLO CCC[N@H+](CC#N)C[C@H]1CCO[C@@H](CC)C1 ZINC000357000965 535272797 /nfs/dbraw/zinc/27/27/97/535272797.db2.gz XEXBOCVATDHBCH-STQMWFEESA-N 1 2 224.348 2.427 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@H]1CCO[C@@H](CC)C1 ZINC000357000965 535272801 /nfs/dbraw/zinc/27/28/01/535272801.db2.gz XEXBOCVATDHBCH-STQMWFEESA-N 1 2 224.348 2.427 20 30 BEEDLO CCC[N@H+](CC#N)C[C@H]1CCO[C@H](C)C1 ZINC000352714220 535273141 /nfs/dbraw/zinc/27/31/41/535273141.db2.gz BEVVDIXUBRKMHW-NEPJUHHUSA-N 1 2 210.321 2.037 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@H]1CCO[C@H](C)C1 ZINC000352714220 535273151 /nfs/dbraw/zinc/27/31/51/535273151.db2.gz BEVVDIXUBRKMHW-NEPJUHHUSA-N 1 2 210.321 2.037 20 30 BEEDLO CCOC(=O)CC(C)(C)CC[N@H+](CC)CC#N ZINC000346890169 355145648 /nfs/dbraw/zinc/14/56/48/355145648.db2.gz YMKOIGFGFPVEHF-UHFFFAOYSA-N 1 2 240.347 2.201 20 30 BEEDLO CCOC(=O)CC(C)(C)CC[N@@H+](CC)CC#N ZINC000346890169 355145649 /nfs/dbraw/zinc/14/56/49/355145649.db2.gz YMKOIGFGFPVEHF-UHFFFAOYSA-N 1 2 240.347 2.201 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1cncc(F)c1)C1CC1 ZINC000346968663 355174847 /nfs/dbraw/zinc/17/48/47/355174847.db2.gz LLYVNQVFESBJHO-SNVBAGLBSA-N 1 2 233.290 2.345 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1cncc(F)c1)C1CC1 ZINC000346968663 355174849 /nfs/dbraw/zinc/17/48/49/355174849.db2.gz LLYVNQVFESBJHO-SNVBAGLBSA-N 1 2 233.290 2.345 20 30 BEEDLO C=C[C@](C)(CC)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346930111 355180312 /nfs/dbraw/zinc/18/03/12/355180312.db2.gz GBDJGZKVTLAECH-CYBMUJFWSA-N 1 2 246.314 2.248 20 30 BEEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000349786397 355462067 /nfs/dbraw/zinc/46/20/67/355462067.db2.gz BVQSVFIJGZALOY-ZDUSSCGKSA-N 1 2 247.338 2.472 20 30 BEEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000349786397 355462070 /nfs/dbraw/zinc/46/20/70/355462070.db2.gz BVQSVFIJGZALOY-ZDUSSCGKSA-N 1 2 247.338 2.472 20 30 BEEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000349786393 355462315 /nfs/dbraw/zinc/46/23/15/355462315.db2.gz BVQSVFIJGZALOY-CYBMUJFWSA-N 1 2 247.338 2.472 20 30 BEEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](C)C1 ZINC000349786393 355462319 /nfs/dbraw/zinc/46/23/19/355462319.db2.gz BVQSVFIJGZALOY-CYBMUJFWSA-N 1 2 247.338 2.472 20 30 BEEDLO CC[N@H+](CC#N)C[C@@H](C)CC1CCOCC1 ZINC000349978451 355557011 /nfs/dbraw/zinc/55/70/11/355557011.db2.gz UKSFDZKURLYHOK-LBPRGKRZSA-N 1 2 224.348 2.285 20 30 BEEDLO CC[N@@H+](CC#N)C[C@@H](C)CC1CCOCC1 ZINC000349978451 355557015 /nfs/dbraw/zinc/55/70/15/355557015.db2.gz UKSFDZKURLYHOK-LBPRGKRZSA-N 1 2 224.348 2.285 20 30 BEEDLO C=C(C)CN(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000335839278 355569238 /nfs/dbraw/zinc/56/92/38/355569238.db2.gz ZVXYIZHYKUKDSY-UHFFFAOYSA-N 1 2 244.298 2.374 20 30 BEEDLO Cc1cccn2c(CN(C)C[C@@H](C)C#N)c[nH+]c12 ZINC000352087879 134061595 /nfs/dbraw/zinc/06/15/95/134061595.db2.gz SJETWXWBGCVBJB-NSHDSACASA-N 1 2 242.326 2.234 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000352086420 134060843 /nfs/dbraw/zinc/06/08/43/134060843.db2.gz BWKSPSABKDAXRP-VIFPVBQESA-N 1 2 219.313 2.211 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000352086420 134060844 /nfs/dbraw/zinc/06/08/44/134060844.db2.gz BWKSPSABKDAXRP-VIFPVBQESA-N 1 2 219.313 2.211 20 30 BEEDLO C/C(=C/c1ccccc1)C[NH+]1CC(O)(CC#N)C1 ZINC000351495006 356002613 /nfs/dbraw/zinc/00/26/13/356002613.db2.gz PGPFIZVUJHCINH-LCYFTJDESA-N 1 2 242.322 2.050 20 30 BEEDLO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000613481862 363458997 /nfs/dbraw/zinc/45/89/97/363458997.db2.gz LZBRRXIDTPFIRM-WCQYABFASA-N 1 2 230.315 2.163 20 30 BEEDLO C[C@@H](c1cnccn1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000613481862 363459001 /nfs/dbraw/zinc/45/90/01/363459001.db2.gz LZBRRXIDTPFIRM-WCQYABFASA-N 1 2 230.315 2.163 20 30 BEEDLO C=C1CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC000639484086 356300117 /nfs/dbraw/zinc/30/01/17/356300117.db2.gz YYFLETHEDXYDCJ-UHFFFAOYSA-N 1 2 233.315 2.489 20 30 BEEDLO Cc1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C#N)c[nH+]1 ZINC000403206675 356419446 /nfs/dbraw/zinc/41/94/46/356419446.db2.gz HCUOLGJDIDEYKM-NQBHXWOUSA-N 1 2 227.311 2.284 20 30 BEEDLO C=C(CC)CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420858367 192264343 /nfs/dbraw/zinc/26/43/43/192264343.db2.gz IYWLEDXAQHBLLD-UHFFFAOYSA-N 1 2 247.342 2.464 20 30 BEEDLO C=CCCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420845409 192267327 /nfs/dbraw/zinc/26/73/27/192267327.db2.gz TUTBIPVDWRKQQI-UHFFFAOYSA-N 1 2 247.342 2.464 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nn(C)cc1Cl ZINC000420907727 192270405 /nfs/dbraw/zinc/27/04/05/192270405.db2.gz VJDVAEWOUXBBMJ-UHFFFAOYSA-N 1 2 227.739 2.472 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nn(C)cc1Cl ZINC000420907727 192270408 /nfs/dbraw/zinc/27/04/08/192270408.db2.gz VJDVAEWOUXBBMJ-UHFFFAOYSA-N 1 2 227.739 2.472 20 30 BEEDLO N#CCC1(O)C[NH+](Cc2cccc(C3CC3)c2)C1 ZINC000421344882 192319007 /nfs/dbraw/zinc/31/90/07/192319007.db2.gz QILLGHDWEMWLFB-UHFFFAOYSA-N 1 2 242.322 2.024 20 30 BEEDLO CC1(C)CCC[N@H+](C[C@@H]2CCOC2)[C@H]1C#N ZINC000336461036 134147956 /nfs/dbraw/zinc/14/79/56/134147956.db2.gz DPVUGSSFFCOGBM-RYUDHWBXSA-N 1 2 222.332 2.037 20 30 BEEDLO CC1(C)CCC[N@@H+](C[C@@H]2CCOC2)[C@H]1C#N ZINC000336461036 134147957 /nfs/dbraw/zinc/14/79/57/134147957.db2.gz DPVUGSSFFCOGBM-RYUDHWBXSA-N 1 2 222.332 2.037 20 30 BEEDLO CCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000336549377 134149505 /nfs/dbraw/zinc/14/95/05/134149505.db2.gz OSGRFGYNMRBJRF-STQMWFEESA-N 1 2 222.332 2.324 20 30 BEEDLO CCC[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000336549377 134149506 /nfs/dbraw/zinc/14/95/06/134149506.db2.gz OSGRFGYNMRBJRF-STQMWFEESA-N 1 2 222.332 2.324 20 30 BEEDLO CCC[N@H+](CC#N)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450418359 202159910 /nfs/dbraw/zinc/15/99/10/202159910.db2.gz LPCJBUUMKBNJJV-UKRRQHHQSA-N 1 2 246.354 2.387 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450418359 202159914 /nfs/dbraw/zinc/15/99/14/202159914.db2.gz LPCJBUUMKBNJJV-UKRRQHHQSA-N 1 2 246.354 2.387 20 30 BEEDLO CC(C)C[C@@H]1COCC[N@@H+]1CC1(C#N)CCC1 ZINC000450401356 202154143 /nfs/dbraw/zinc/15/41/43/202154143.db2.gz IULPEJRAVVQRPO-CYBMUJFWSA-N 1 2 236.359 2.427 20 30 BEEDLO CC(C)C[C@@H]1COCC[N@H+]1CC1(C#N)CCC1 ZINC000450401356 202154146 /nfs/dbraw/zinc/15/41/46/202154146.db2.gz IULPEJRAVVQRPO-CYBMUJFWSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1c(F)cncc1F ZINC000353218376 134162295 /nfs/dbraw/zinc/16/22/95/134162295.db2.gz JSMFDXIANDEKMT-QMMMGPOBSA-N 1 2 237.253 2.314 20 30 BEEDLO N#CCCCC[N@H+]1CCC[C@H]1C(F)F ZINC000353172277 134162480 /nfs/dbraw/zinc/16/24/80/134162480.db2.gz NIMHISXCAAHTJL-VIFPVBQESA-N 1 2 202.248 2.410 20 30 BEEDLO N#CCCCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353172277 134162481 /nfs/dbraw/zinc/16/24/81/134162481.db2.gz NIMHISXCAAHTJL-VIFPVBQESA-N 1 2 202.248 2.410 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000354032517 134165987 /nfs/dbraw/zinc/16/59/87/134165987.db2.gz BCRZDYYAMFUZIN-JTQLQIEISA-N 1 2 229.283 2.275 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000354032517 134165988 /nfs/dbraw/zinc/16/59/88/134165988.db2.gz BCRZDYYAMFUZIN-JTQLQIEISA-N 1 2 229.283 2.275 20 30 BEEDLO COc1c(O)cccc1C[N@H+](C)CC(C)(C)C#N ZINC000354043467 134166614 /nfs/dbraw/zinc/16/66/14/134166614.db2.gz YLHGLINBCGSDIZ-UHFFFAOYSA-N 1 2 248.326 2.382 20 30 BEEDLO COc1c(O)cccc1C[N@@H+](C)CC(C)(C)C#N ZINC000354043467 134166615 /nfs/dbraw/zinc/16/66/15/134166615.db2.gz YLHGLINBCGSDIZ-UHFFFAOYSA-N 1 2 248.326 2.382 20 30 BEEDLO Cc1nnc([C@@H](C)[NH2+]CC#Cc2ccccc2)o1 ZINC000578191623 366376110 /nfs/dbraw/zinc/37/61/10/366376110.db2.gz PHFUOUONEBDSFQ-LLVKDONJSA-N 1 2 241.294 2.080 20 30 BEEDLO CSC1(C[N@H+](CC#N)C2CC2)CCC1 ZINC000356067954 356788043 /nfs/dbraw/zinc/78/80/43/356788043.db2.gz SFHNHBFBKDFYJO-UHFFFAOYSA-N 1 2 210.346 2.260 20 30 BEEDLO CSC1(C[N@@H+](CC#N)C2CC2)CCC1 ZINC000356067954 356788048 /nfs/dbraw/zinc/78/80/48/356788048.db2.gz SFHNHBFBKDFYJO-UHFFFAOYSA-N 1 2 210.346 2.260 20 30 BEEDLO C[C@@H](Cn1cc[nH+]c1)Nc1cccc(F)c1C#N ZINC000093396582 356941614 /nfs/dbraw/zinc/94/16/14/356941614.db2.gz SNOMFGCLWLQIRF-JTQLQIEISA-N 1 2 244.273 2.394 20 30 BEEDLO CC#CC[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000369626936 356989296 /nfs/dbraw/zinc/98/92/96/356989296.db2.gz WXIGIVUNCXLICW-GFCCVEGCSA-N 1 2 204.273 2.143 20 30 BEEDLO CC#CC[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000369626936 356989298 /nfs/dbraw/zinc/98/92/98/356989298.db2.gz WXIGIVUNCXLICW-GFCCVEGCSA-N 1 2 204.273 2.143 20 30 BEEDLO C=CC[C@H]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000626467916 357004499 /nfs/dbraw/zinc/00/44/99/357004499.db2.gz LDQZPJJVDVERIF-LBPRGKRZSA-N 1 2 245.326 2.242 20 30 BEEDLO N#CCC[NH2+]Cc1ccccc1OCC1CC1 ZINC000358656717 134192170 /nfs/dbraw/zinc/19/21/70/134192170.db2.gz CAYURSREXJHLNF-UHFFFAOYSA-N 1 2 230.311 2.479 20 30 BEEDLO C=CCCCCCNc1nc[nH+]c(N)c1Cl ZINC000582497457 357327051 /nfs/dbraw/zinc/32/70/51/357327051.db2.gz UEDQNDPEZADNJC-UHFFFAOYSA-N 1 2 240.738 2.292 20 30 BEEDLO C=CCCCCCNc1[nH+]cnc(N)c1Cl ZINC000582497457 357327056 /nfs/dbraw/zinc/32/70/56/357327056.db2.gz UEDQNDPEZADNJC-UHFFFAOYSA-N 1 2 240.738 2.292 20 30 BEEDLO C=CCCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360632833 134201447 /nfs/dbraw/zinc/20/14/47/134201447.db2.gz KVKPEURCYYWPIB-UHFFFAOYSA-N 1 2 244.338 2.301 20 30 BEEDLO C=CCCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360632833 134201448 /nfs/dbraw/zinc/20/14/48/134201448.db2.gz KVKPEURCYYWPIB-UHFFFAOYSA-N 1 2 244.338 2.301 20 30 BEEDLO C[C@H]1CC[C@@H](C[N@H+](CC#N)C2CCCC2)O1 ZINC000188520538 357558460 /nfs/dbraw/zinc/55/84/60/357558460.db2.gz USQWHEBPPMQNNE-AAEUAGOBSA-N 1 2 222.332 2.322 20 30 BEEDLO C[C@H]1CC[C@@H](C[N@@H+](CC#N)C2CCCC2)O1 ZINC000188520538 357558462 /nfs/dbraw/zinc/55/84/62/357558462.db2.gz USQWHEBPPMQNNE-AAEUAGOBSA-N 1 2 222.332 2.322 20 30 BEEDLO Cc1ccc(C[S@](=O)CCCC#N)c(C)[nH+]1 ZINC000190853670 357727914 /nfs/dbraw/zinc/72/79/14/357727914.db2.gz BJGIHSONFUPXAQ-MRXNPFEDSA-N 1 2 236.340 2.251 20 30 BEEDLO COc1ccc(F)c(C[NH2+]C[C@H](C)C#N)c1 ZINC000584485469 358001965 /nfs/dbraw/zinc/00/19/65/358001965.db2.gz BZFAIHGCEIJRCK-SECBINFHSA-N 1 2 222.263 2.084 20 30 BEEDLO CC(C)N(CCC#N)Cc1c[nH+]c2ccccn12 ZINC000610728799 358117304 /nfs/dbraw/zinc/11/73/04/358117304.db2.gz HLBGCGPQVDHZCP-UHFFFAOYSA-N 1 2 242.326 2.458 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1cnc2ccccn12 ZINC000610728799 358117306 /nfs/dbraw/zinc/11/73/06/358117306.db2.gz HLBGCGPQVDHZCP-UHFFFAOYSA-N 1 2 242.326 2.458 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1cnc2ccccn12 ZINC000610728799 358117310 /nfs/dbraw/zinc/11/73/10/358117310.db2.gz HLBGCGPQVDHZCP-UHFFFAOYSA-N 1 2 242.326 2.458 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1ccnn1C1CCCC1 ZINC000584819652 358196279 /nfs/dbraw/zinc/19/62/79/358196279.db2.gz GOEHDSGLZQIZCB-LLVKDONJSA-N 1 2 232.331 2.247 20 30 BEEDLO N#Cc1cccnc1NCCCCn1cc[nH+]c1 ZINC000045108307 358401237 /nfs/dbraw/zinc/40/12/37/358401237.db2.gz DZZDYYORRBHKNV-UHFFFAOYSA-N 1 2 241.298 2.042 20 30 BEEDLO C[N@H+](CCC#N)C[C@@H]1CCC2(CCCC2)O1 ZINC000229315615 358402430 /nfs/dbraw/zinc/40/24/30/358402430.db2.gz WGOOWASDEVSDEL-LBPRGKRZSA-N 1 2 222.332 2.324 20 30 BEEDLO C[N@@H+](CCC#N)C[C@@H]1CCC2(CCCC2)O1 ZINC000229315615 358402432 /nfs/dbraw/zinc/40/24/32/358402432.db2.gz WGOOWASDEVSDEL-LBPRGKRZSA-N 1 2 222.332 2.324 20 30 BEEDLO C=C[C@@H]([NH2+]CC(C)(C)C1CCC1)C(=O)OC ZINC000385478658 358419976 /nfs/dbraw/zinc/41/99/76/358419976.db2.gz NMRJWCXGVCTRFL-LLVKDONJSA-N 1 2 225.332 2.130 20 30 BEEDLO N#CCC[N@@H+](Cc1ccnc(C#N)c1)CC1CC1 ZINC000610994424 358422140 /nfs/dbraw/zinc/42/21/40/358422140.db2.gz HAAIVMCFDRWSLD-UHFFFAOYSA-N 1 2 240.310 2.079 20 30 BEEDLO N#CCC[N@H+](Cc1ccnc(C#N)c1)CC1CC1 ZINC000610994424 358422144 /nfs/dbraw/zinc/42/21/44/358422144.db2.gz HAAIVMCFDRWSLD-UHFFFAOYSA-N 1 2 240.310 2.079 20 30 BEEDLO COc1ccc(C#N)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000130376715 358622276 /nfs/dbraw/zinc/62/22/76/358622276.db2.gz PPKITTQDODPPCO-NSHDSACASA-N 1 2 243.310 2.158 20 30 BEEDLO COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000130376715 358622279 /nfs/dbraw/zinc/62/22/79/358622279.db2.gz PPKITTQDODPPCO-NSHDSACASA-N 1 2 243.310 2.158 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000611091669 358646796 /nfs/dbraw/zinc/64/67/96/358646796.db2.gz SEBUOMGKIFDLAW-NSHDSACASA-N 1 2 240.310 2.077 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000611091669 358646800 /nfs/dbraw/zinc/64/68/00/358646800.db2.gz SEBUOMGKIFDLAW-NSHDSACASA-N 1 2 240.310 2.077 20 30 BEEDLO C#CC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000247549006 359233157 /nfs/dbraw/zinc/23/31/57/359233157.db2.gz PSQQVYPLXKJPEQ-TZMCWYRMSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000247549006 359233162 /nfs/dbraw/zinc/23/31/62/359233162.db2.gz PSQQVYPLXKJPEQ-TZMCWYRMSA-N 1 2 215.296 2.082 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@@H](C)c1cccc(C)c1)C(=O)OC ZINC000619701969 363632444 /nfs/dbraw/zinc/63/24/44/363632444.db2.gz AWWXZDPGSRAQFZ-TZMCWYRMSA-N 1 2 247.338 2.416 20 30 BEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Cl)cn1 ZINC000611440081 359371547 /nfs/dbraw/zinc/37/15/47/359371547.db2.gz GJCMWHMKZMBRKW-SNVBAGLBSA-N 1 2 248.717 2.268 20 30 BEEDLO COC(=O)[C@H]([NH2+]CCC(C)(C)C#N)C(C)(C)C ZINC000611463091 359373663 /nfs/dbraw/zinc/37/36/63/359373663.db2.gz UQTLTCMKWHTLCD-JTQLQIEISA-N 1 2 240.347 2.104 20 30 BEEDLO C[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C[C@@H]1F ZINC000611501384 359383887 /nfs/dbraw/zinc/38/38/87/359383887.db2.gz BGBVKFMLEHLSQU-UTUOFQBUSA-N 1 2 223.295 2.110 20 30 BEEDLO C[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H]1F ZINC000611501384 359383891 /nfs/dbraw/zinc/38/38/91/359383891.db2.gz BGBVKFMLEHLSQU-UTUOFQBUSA-N 1 2 223.295 2.110 20 30 BEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@H]1F ZINC000611521419 359388942 /nfs/dbraw/zinc/38/89/42/359388942.db2.gz FTIOJKQGNCXOGH-JOYOIKCWSA-N 1 2 222.263 2.331 20 30 BEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@H]1F ZINC000611521419 359388944 /nfs/dbraw/zinc/38/89/44/359388944.db2.gz FTIOJKQGNCXOGH-JOYOIKCWSA-N 1 2 222.263 2.331 20 30 BEEDLO COc1cc[nH+]c(CN2CCC[C@@](C)(C#N)C2)c1 ZINC000612161813 359712398 /nfs/dbraw/zinc/71/23/98/359712398.db2.gz ISKUFDGJWZMZSO-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO C=C(CC)CNc1cc(NCC2CC2)[nH+]cn1 ZINC000450905277 202306953 /nfs/dbraw/zinc/30/69/53/202306953.db2.gz BXUKZMFYWWRKNE-UHFFFAOYSA-N 1 2 232.331 2.099 20 30 BEEDLO C=C(CC)CNc1cc(NCC2CC2)nc[nH+]1 ZINC000450905277 202306957 /nfs/dbraw/zinc/30/69/57/202306957.db2.gz BXUKZMFYWWRKNE-UHFFFAOYSA-N 1 2 232.331 2.099 20 30 BEEDLO CCCn1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000612406903 359835332 /nfs/dbraw/zinc/83/53/32/359835332.db2.gz WUJVULFXQFSCPW-AWEZNQCLSA-N 1 2 246.358 2.419 20 30 BEEDLO CCCn1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000612406903 359835335 /nfs/dbraw/zinc/83/53/35/359835335.db2.gz WUJVULFXQFSCPW-AWEZNQCLSA-N 1 2 246.358 2.419 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405610 359832093 /nfs/dbraw/zinc/83/20/93/359832093.db2.gz BFQXRIJEPHKBOB-ZDUSSCGKSA-N 1 2 232.331 2.152 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405610 359832097 /nfs/dbraw/zinc/83/20/97/359832097.db2.gz BFQXRIJEPHKBOB-ZDUSSCGKSA-N 1 2 232.331 2.152 20 30 BEEDLO CC(C)[N@H+](Cc1ccc(F)cc1C#N)C1COC1 ZINC000451121226 202358349 /nfs/dbraw/zinc/35/83/49/202358349.db2.gz PXTJHCYCYUXQSD-UHFFFAOYSA-N 1 2 248.301 2.307 20 30 BEEDLO CC(C)[N@@H+](Cc1ccc(F)cc1C#N)C1COC1 ZINC000451121226 202358351 /nfs/dbraw/zinc/35/83/51/202358351.db2.gz PXTJHCYCYUXQSD-UHFFFAOYSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1ncccc1C(F)(F)F ZINC000612586561 359899431 /nfs/dbraw/zinc/89/94/31/359899431.db2.gz OKKHNLGIOPTUJF-MRVPVSSYSA-N 1 2 243.232 2.350 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000612584602 359897313 /nfs/dbraw/zinc/89/73/13/359897313.db2.gz RSKXBTITATUIKZ-QMMMGPOBSA-N 1 2 237.234 2.126 20 30 BEEDLO Cn1nc(C[NH2+]CC(C)(C)C#N)c2ccccc21 ZINC000612584817 359897328 /nfs/dbraw/zinc/89/73/28/359897328.db2.gz AVDMFJYIRNJADK-UHFFFAOYSA-N 1 2 242.326 2.213 20 30 BEEDLO CC[N@H+](CC#Cc1cccc(Cl)c1)C1COC1 ZINC000451288526 202397095 /nfs/dbraw/zinc/39/70/95/202397095.db2.gz SRPVAVSLOYBODL-UHFFFAOYSA-N 1 2 249.741 2.412 20 30 BEEDLO CC[N@@H+](CC#Cc1cccc(Cl)c1)C1COC1 ZINC000451288526 202397098 /nfs/dbraw/zinc/39/70/98/202397098.db2.gz SRPVAVSLOYBODL-UHFFFAOYSA-N 1 2 249.741 2.412 20 30 BEEDLO CC[N@@H+](CCC#N)CCOc1ccccc1OC ZINC000088401858 359953362 /nfs/dbraw/zinc/95/33/62/359953362.db2.gz XYIVHAWNKOTBQB-UHFFFAOYSA-N 1 2 248.326 2.310 20 30 BEEDLO CC[N@H+](CCC#N)CCOc1ccccc1OC ZINC000088401858 359953365 /nfs/dbraw/zinc/95/33/65/359953365.db2.gz XYIVHAWNKOTBQB-UHFFFAOYSA-N 1 2 248.326 2.310 20 30 BEEDLO C=C(Cl)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000091084664 360101563 /nfs/dbraw/zinc/10/15/63/360101563.db2.gz IBSKSBPUDQRQLK-UHFFFAOYSA-N 1 2 238.709 2.012 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084664 360101566 /nfs/dbraw/zinc/10/15/66/360101566.db2.gz IBSKSBPUDQRQLK-UHFFFAOYSA-N 1 2 238.709 2.012 20 30 BEEDLO CC[N@@H+](Cc1cccc(O)c1)C[C@@H](C)C#N ZINC000094680038 360314698 /nfs/dbraw/zinc/31/46/98/360314698.db2.gz HKZLBXQTNLHTTK-NSHDSACASA-N 1 2 218.300 2.374 20 30 BEEDLO CC[N@H+](Cc1cccc(O)c1)C[C@@H](C)C#N ZINC000094680038 360314701 /nfs/dbraw/zinc/31/47/01/360314701.db2.gz HKZLBXQTNLHTTK-NSHDSACASA-N 1 2 218.300 2.374 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(C#N)cc1F ZINC000067407272 370668700 /nfs/dbraw/zinc/66/87/00/370668700.db2.gz BZWSVYVMIXDFIR-VIFPVBQESA-N 1 2 217.247 2.089 20 30 BEEDLO Oc1cccc(/C=[NH+]/CCCOCC2CC2)c1O ZINC000061242252 360625418 /nfs/dbraw/zinc/62/54/18/360625418.db2.gz VJRSTSJBVQXMOT-OQLLNIDSSA-N 1 2 249.310 2.333 20 30 BEEDLO Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)cn1 ZINC000153850951 360779117 /nfs/dbraw/zinc/77/91/17/360779117.db2.gz LMVKSZRXKYUQLZ-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1ccc(C[N@H+](C)[C@H](C)CC#N)cn1 ZINC000153850951 360779121 /nfs/dbraw/zinc/77/91/21/360779121.db2.gz LMVKSZRXKYUQLZ-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO C=C(C)C[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000154892180 360852307 /nfs/dbraw/zinc/85/23/07/360852307.db2.gz XOCBEUVVYKAKFK-UHFFFAOYSA-N 1 2 225.332 2.418 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cc2cccnc2o1 ZINC000579194757 366731482 /nfs/dbraw/zinc/73/14/82/366731482.db2.gz RLXWRBBUTCBPMT-SECBINFHSA-N 1 2 215.256 2.077 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)CC1CCCC1 ZINC000428872886 201047348 /nfs/dbraw/zinc/04/73/48/201047348.db2.gz SXUDFOQMIMLKGO-AWEZNQCLSA-N 1 2 236.359 2.329 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)CC1CCCC1 ZINC000428872886 201047350 /nfs/dbraw/zinc/04/73/50/201047350.db2.gz SXUDFOQMIMLKGO-AWEZNQCLSA-N 1 2 236.359 2.329 20 30 BEEDLO CCCC[C@H]([NH2+]CC1(CC#N)CC1)C(=O)OC ZINC000429802036 201133700 /nfs/dbraw/zinc/13/37/00/201133700.db2.gz XLMUQGXTZFXQQC-NSHDSACASA-N 1 2 238.331 2.002 20 30 BEEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000191867578 361458538 /nfs/dbraw/zinc/45/85/38/361458538.db2.gz NJRCBONGUGXVIC-UHFFFAOYSA-N 1 2 229.323 2.149 20 30 BEEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000191867578 361458544 /nfs/dbraw/zinc/45/85/44/361458544.db2.gz NJRCBONGUGXVIC-UHFFFAOYSA-N 1 2 229.323 2.149 20 30 BEEDLO Cc1cnc([C@@H](C)[N@H+](C)CC(C)(C)C#N)cn1 ZINC000433294076 201175581 /nfs/dbraw/zinc/17/55/81/201175581.db2.gz JORJJMKXGPRQEH-LLVKDONJSA-N 1 2 232.331 2.328 20 30 BEEDLO Cc1cnc([C@@H](C)[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000433294076 201175584 /nfs/dbraw/zinc/17/55/84/201175584.db2.gz JORJJMKXGPRQEH-LLVKDONJSA-N 1 2 232.331 2.328 20 30 BEEDLO C=C(C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000154385320 201274531 /nfs/dbraw/zinc/27/45/31/201274531.db2.gz GMMILXMJVOCWAM-UHFFFAOYSA-N 1 2 241.294 2.178 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCc2cccc(C)c2C1 ZINC000619722604 363951500 /nfs/dbraw/zinc/95/15/00/363951500.db2.gz XUYHTDRGOAKPNP-CQSZACIVSA-N 1 2 245.322 2.081 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCc2cccc(C)c2C1 ZINC000619722604 363951508 /nfs/dbraw/zinc/95/15/08/363951508.db2.gz XUYHTDRGOAKPNP-CQSZACIVSA-N 1 2 245.322 2.081 20 30 BEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCC(C)(C)C2)nn1 ZINC000630604438 364328426 /nfs/dbraw/zinc/32/84/26/364328426.db2.gz SAHINJGMDWFLQJ-CYBMUJFWSA-N 1 2 246.358 2.142 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cscn1 ZINC000615092186 364474635 /nfs/dbraw/zinc/47/46/35/364474635.db2.gz JINJEKRCYLCIGL-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO CC(C)[C@@H]1C[N@@H+](C(C)(C)C#N)CCS1 ZINC000161324916 364687832 /nfs/dbraw/zinc/68/78/32/364687832.db2.gz WJPKWRDUWKUCPQ-JTQLQIEISA-N 1 2 212.362 2.362 20 30 BEEDLO CC(C)[C@@H]1C[N@H+](C(C)(C)C#N)CCS1 ZINC000161324916 364687835 /nfs/dbraw/zinc/68/78/35/364687835.db2.gz WJPKWRDUWKUCPQ-JTQLQIEISA-N 1 2 212.362 2.362 20 30 BEEDLO C=C1CC(C)(C(=O)Nc2c[nH+]ccc2OC)C1 ZINC000630867099 364697481 /nfs/dbraw/zinc/69/74/81/364697481.db2.gz PVWJLPBYOPIXMP-UHFFFAOYSA-N 1 2 232.283 2.385 20 30 BEEDLO C=CCCCCNc1nc(C)[nH+]cc1C ZINC000573577998 364867029 /nfs/dbraw/zinc/86/70/29/364867029.db2.gz AJERBANUVPISEC-UHFFFAOYSA-N 1 2 205.305 2.284 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000573791565 364916428 /nfs/dbraw/zinc/91/64/28/364916428.db2.gz SJFDCPNEQJIBEU-YPMHNXCESA-N 1 2 246.310 2.228 20 30 BEEDLO Cc1cc(F)ccc1C[N@H+](C)CCC#N ZINC000157796903 193028389 /nfs/dbraw/zinc/02/83/89/193028389.db2.gz XVMXJPSZSMWVAF-UHFFFAOYSA-N 1 2 206.264 2.480 20 30 BEEDLO Cc1cc(F)ccc1C[N@@H+](C)CCC#N ZINC000157796903 193028391 /nfs/dbraw/zinc/02/83/91/193028391.db2.gz XVMXJPSZSMWVAF-UHFFFAOYSA-N 1 2 206.264 2.480 20 30 BEEDLO C#CC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000172078311 365289660 /nfs/dbraw/zinc/28/96/60/365289660.db2.gz HLYBHANYKIUFLB-UHFFFAOYSA-N 1 2 226.279 2.310 20 30 BEEDLO C#CC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000172078311 365289664 /nfs/dbraw/zinc/28/96/64/365289664.db2.gz HLYBHANYKIUFLB-UHFFFAOYSA-N 1 2 226.279 2.310 20 30 BEEDLO C=CC[C@H](C)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000172322539 365310837 /nfs/dbraw/zinc/31/08/37/365310837.db2.gz SVXDUZZFNOKQHD-JTQLQIEISA-N 1 2 229.283 2.029 20 30 BEEDLO Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)c(C)[nH+]1 ZINC000182368871 366892563 /nfs/dbraw/zinc/89/25/63/366892563.db2.gz JGQIDRWKQMLTOW-UHFFFAOYSA-N 1 2 240.266 2.151 20 30 BEEDLO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@H](C#N)C1 ZINC000183051496 366971492 /nfs/dbraw/zinc/97/14/92/366971492.db2.gz SYEQLWJCPUELCR-JHJVBQTASA-N 1 2 222.332 2.037 20 30 BEEDLO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@H](C#N)C1 ZINC000183051496 366971496 /nfs/dbraw/zinc/97/14/96/366971496.db2.gz SYEQLWJCPUELCR-JHJVBQTASA-N 1 2 222.332 2.037 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000183822347 367050705 /nfs/dbraw/zinc/05/07/05/367050705.db2.gz UAAWINZTWRIUIR-NSHDSACASA-N 1 2 240.310 2.326 20 30 BEEDLO Cc1ccc2[nH+]c(CN[C@H](C)CC#N)cn2c1 ZINC000068612440 370820912 /nfs/dbraw/zinc/82/09/12/370820912.db2.gz MCOVRFXOAALURI-LLVKDONJSA-N 1 2 228.299 2.035 20 30 BEEDLO Cc1ccc2nc(C[NH2+][C@H](C)CC#N)cn2c1 ZINC000068612440 370820916 /nfs/dbraw/zinc/82/09/16/370820916.db2.gz MCOVRFXOAALURI-LLVKDONJSA-N 1 2 228.299 2.035 20 30 BEEDLO N#Cc1cc(C[NH+]2Cc3ccccc3C2)ccn1 ZINC000068766616 370846073 /nfs/dbraw/zinc/84/60/73/370846073.db2.gz HEPIULQUIKCMTO-UHFFFAOYSA-N 1 2 235.290 2.469 20 30 BEEDLO CCc1nc(C)c(C[NH2+][C@H](CC)CC#N)o1 ZINC000381900594 367468288 /nfs/dbraw/zinc/46/82/88/367468288.db2.gz VAZLUWGZIWAYCQ-SNVBAGLBSA-N 1 2 221.304 2.327 20 30 BEEDLO CC(C)(C#N)CCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000615820927 368446189 /nfs/dbraw/zinc/44/61/89/368446189.db2.gz DUSLSCCEAMVRGH-SNVBAGLBSA-N 1 2 246.301 2.018 20 30 BEEDLO CC(C)(C#N)CCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000615820927 368446194 /nfs/dbraw/zinc/44/61/94/368446194.db2.gz DUSLSCCEAMVRGH-SNVBAGLBSA-N 1 2 246.301 2.018 20 30 BEEDLO N#CCC[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000567104623 326116580 /nfs/dbraw/zinc/11/65/80/326116580.db2.gz WVRHXFRHUDDSCR-JTQLQIEISA-N 1 2 222.675 2.277 20 30 BEEDLO C[N@H+](CC#N)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666640 368777152 /nfs/dbraw/zinc/77/71/52/368777152.db2.gz BEJKDJWNEQKWRL-UHFFFAOYSA-N 1 2 247.317 2.250 20 30 BEEDLO C[N@@H+](CC#N)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666640 368777158 /nfs/dbraw/zinc/77/71/58/368777158.db2.gz BEJKDJWNEQKWRL-UHFFFAOYSA-N 1 2 247.317 2.250 20 30 BEEDLO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cocn1 ZINC000618741927 369206778 /nfs/dbraw/zinc/20/67/78/369206778.db2.gz OAXFJYNTXPXCGW-AWEZNQCLSA-N 1 2 239.278 2.323 20 30 BEEDLO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccn[nH]1 ZINC000618742157 369206867 /nfs/dbraw/zinc/20/68/67/369206867.db2.gz RZTKKFHGFYUOFT-AWEZNQCLSA-N 1 2 238.294 2.058 20 30 BEEDLO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCC1 ZINC000459349466 203266082 /nfs/dbraw/zinc/26/60/82/203266082.db2.gz ICNRFYBOIRCBHL-UHFFFAOYSA-N 1 2 245.282 2.451 20 30 BEEDLO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCC1 ZINC000459349466 203266086 /nfs/dbraw/zinc/26/60/86/203266086.db2.gz ICNRFYBOIRCBHL-UHFFFAOYSA-N 1 2 245.282 2.451 20 30 BEEDLO COCC1(C)C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000459624785 203320687 /nfs/dbraw/zinc/32/06/87/203320687.db2.gz UTFCNFWROJACQN-UHFFFAOYSA-N 1 2 248.301 2.166 20 30 BEEDLO C=CCOCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405052743 369442848 /nfs/dbraw/zinc/44/28/48/369442848.db2.gz CMRDKTWJBDHSLJ-UHFFFAOYSA-N 1 2 228.295 2.076 20 30 BEEDLO C=CCOCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405052743 369442854 /nfs/dbraw/zinc/44/28/54/369442854.db2.gz CMRDKTWJBDHSLJ-UHFFFAOYSA-N 1 2 228.295 2.076 20 30 BEEDLO N#CCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405041711 369443378 /nfs/dbraw/zinc/44/33/78/369443378.db2.gz CGOHRHOOFORPKM-UHFFFAOYSA-N 1 2 211.268 2.178 20 30 BEEDLO N#CCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405041711 369443383 /nfs/dbraw/zinc/44/33/83/369443383.db2.gz CGOHRHOOFORPKM-UHFFFAOYSA-N 1 2 211.268 2.178 20 30 BEEDLO N#CC1(C[NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC000619535292 369466577 /nfs/dbraw/zinc/46/65/77/369466577.db2.gz PWDVMZASIPAGQC-UHFFFAOYSA-N 1 2 247.367 2.415 20 30 BEEDLO C[C@H](c1ccncc1)[N@@H+](C)C[C@H](C)C#N ZINC000260036556 370967645 /nfs/dbraw/zinc/96/76/45/370967645.db2.gz OUHNVVSXSHLXRD-GHMZBOCLSA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@H](c1ccncc1)[N@H+](C)C[C@H](C)C#N ZINC000260036556 370967649 /nfs/dbraw/zinc/96/76/49/370967649.db2.gz OUHNVVSXSHLXRD-GHMZBOCLSA-N 1 2 203.289 2.234 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1C[C@@H]1C1CCCCC1)C(=O)OC ZINC000619702483 369535478 /nfs/dbraw/zinc/53/54/78/369535478.db2.gz NNFFFUAJPUHWRS-FRRDWIJNSA-N 1 2 237.343 2.272 20 30 BEEDLO COc1cccc(C[NH2+]CC2(C#N)CC2)c1F ZINC000619726126 369557254 /nfs/dbraw/zinc/55/72/54/369557254.db2.gz WSPDQNPZAVMLEY-UHFFFAOYSA-N 1 2 234.274 2.228 20 30 BEEDLO C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C[C@@H]1F ZINC000602599171 369823912 /nfs/dbraw/zinc/82/39/12/369823912.db2.gz FSSDCOAWPGEJAD-GWCFXTLKSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C[C@@H]1F ZINC000602599171 369823919 /nfs/dbraw/zinc/82/39/19/369823919.db2.gz FSSDCOAWPGEJAD-GWCFXTLKSA-N 1 2 233.290 2.133 20 30 BEEDLO C=C[C@](C)(CC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620606096 369953915 /nfs/dbraw/zinc/95/39/15/369953915.db2.gz OCYSKWXIQDJTNI-GXFFZTMASA-N 1 2 235.331 2.200 20 30 BEEDLO Cc1cc(C#N)cc(NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000603409527 369956095 /nfs/dbraw/zinc/95/60/95/369956095.db2.gz MXZGVSRUKHOBSG-UHFFFAOYSA-N 1 2 241.298 2.332 20 30 BEEDLO Cc1nc(C#N)n(Cc2ccc[nH+]c2C)c1C ZINC000603425597 369965257 /nfs/dbraw/zinc/96/52/57/369965257.db2.gz DVMXJGFFUUTEMC-UHFFFAOYSA-N 1 2 226.283 2.123 20 30 BEEDLO C[N@H+](Cc1ccccn1)[C@H]1CCC[C@H]1C#N ZINC000252415347 370024376 /nfs/dbraw/zinc/02/43/76/370024376.db2.gz RJJIATQOFDYGNA-AAEUAGOBSA-N 1 2 215.300 2.206 20 30 BEEDLO C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@H]1C#N ZINC000252415347 370024380 /nfs/dbraw/zinc/02/43/80/370024380.db2.gz RJJIATQOFDYGNA-AAEUAGOBSA-N 1 2 215.300 2.206 20 30 BEEDLO C=C[C@H]([NH2+]CC[C@@H](C)c1ccccc1)C(=O)OC ZINC000310696832 370361734 /nfs/dbraw/zinc/36/17/34/370361734.db2.gz VNCMZDSBEMNDFP-OCCSQVGLSA-N 1 2 247.338 2.497 20 30 BEEDLO Cc1noc(C)c1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000113951167 370518558 /nfs/dbraw/zinc/51/85/58/370518558.db2.gz NVKGLXXELNEFQI-CABZTGNLSA-N 1 2 246.314 2.386 20 30 BEEDLO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000113951164 370518960 /nfs/dbraw/zinc/51/89/60/370518960.db2.gz NVKGLXXELNEFQI-SKDRFNHKSA-N 1 2 246.314 2.386 20 30 BEEDLO C=CCCC(C)(C)CNC(=O)Cc1c[nH+]cn1C ZINC000633964840 373862097 /nfs/dbraw/zinc/86/20/97/373862097.db2.gz FFPLUWIERZSPFV-UHFFFAOYSA-N 1 2 249.358 2.071 20 30 BEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000192230261 259585223 /nfs/dbraw/zinc/58/52/23/259585223.db2.gz NVBNNEWPZRVFDC-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000192230261 259585225 /nfs/dbraw/zinc/58/52/25/259585225.db2.gz NVBNNEWPZRVFDC-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001644986093 1172624316 /nfs/dbraw/zinc/62/43/16/1172624316.db2.gz LJTATZPZIXMQHK-OUAUKWLOSA-N 1 2 239.269 2.017 20 30 BEEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001644986093 1172624321 /nfs/dbraw/zinc/62/43/21/1172624321.db2.gz LJTATZPZIXMQHK-OUAUKWLOSA-N 1 2 239.269 2.017 20 30 BEEDLO C#CC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000309315876 383870886 /nfs/dbraw/zinc/87/08/86/383870886.db2.gz CZLQVEJGEPMSHW-UHFFFAOYSA-N 1 2 232.205 2.151 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCC)C1 ZINC000101733709 383890737 /nfs/dbraw/zinc/89/07/37/383890737.db2.gz CWUQGGYHLODQCZ-NSHDSACASA-N 1 2 244.766 2.120 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC)C1 ZINC000101733709 383890743 /nfs/dbraw/zinc/89/07/43/383890743.db2.gz CWUQGGYHLODQCZ-NSHDSACASA-N 1 2 244.766 2.120 20 30 BEEDLO Cc1nsc(NCCCn2cc[nH+]c2)c1C#N ZINC000339975114 384071976 /nfs/dbraw/zinc/07/19/76/384071976.db2.gz ZZHUXPQAYDDYIJ-UHFFFAOYSA-N 1 2 247.327 2.022 20 30 BEEDLO COCC[N@H+](CCC#N)CCc1ccccc1 ZINC000070142985 384081154 /nfs/dbraw/zinc/08/11/54/384081154.db2.gz AVBILYMYWYQECX-UHFFFAOYSA-N 1 2 232.327 2.091 20 30 BEEDLO COCC[N@@H+](CCC#N)CCc1ccccc1 ZINC000070142985 384081157 /nfs/dbraw/zinc/08/11/57/384081157.db2.gz AVBILYMYWYQECX-UHFFFAOYSA-N 1 2 232.327 2.091 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000299108356 384116804 /nfs/dbraw/zinc/11/68/04/384116804.db2.gz VECLRIXGHBYXBF-JTQLQIEISA-N 1 2 247.672 2.340 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000042185414 384205255 /nfs/dbraw/zinc/20/52/55/384205255.db2.gz NUCZFXYBSLHVGF-UHFFFAOYSA-N 1 2 233.271 2.330 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000042185414 384205258 /nfs/dbraw/zinc/20/52/58/384205258.db2.gz NUCZFXYBSLHVGF-UHFFFAOYSA-N 1 2 233.271 2.330 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1O ZINC000068613247 134398911 /nfs/dbraw/zinc/39/89/11/134398911.db2.gz GDXWTBFJKOAASV-SNVBAGLBSA-N 1 2 234.299 2.135 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1O ZINC000068613247 134398913 /nfs/dbraw/zinc/39/89/13/134398913.db2.gz GDXWTBFJKOAASV-SNVBAGLBSA-N 1 2 234.299 2.135 20 30 BEEDLO CC(C)[C@@H]1C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000336352776 384210092 /nfs/dbraw/zinc/21/00/92/384210092.db2.gz VOEFFLWQIDPMFS-HNNXBMFYSA-N 1 2 244.338 2.415 20 30 BEEDLO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000336352776 384210098 /nfs/dbraw/zinc/21/00/98/384210098.db2.gz VOEFFLWQIDPMFS-HNNXBMFYSA-N 1 2 244.338 2.415 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000093091151 384210494 /nfs/dbraw/zinc/21/04/94/384210494.db2.gz PCZILCMTLZBASV-NSHDSACASA-N 1 2 234.347 2.372 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000093091151 384210495 /nfs/dbraw/zinc/21/04/95/384210495.db2.gz PCZILCMTLZBASV-NSHDSACASA-N 1 2 234.347 2.372 20 30 BEEDLO CC1(C#N)C[NH+](CCCC2CCOCC2)C1 ZINC000560608740 384256697 /nfs/dbraw/zinc/25/66/97/384256697.db2.gz QPMYFENFYQLQDD-UHFFFAOYSA-N 1 2 222.332 2.039 20 30 BEEDLO C=CC[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119909393 384317740 /nfs/dbraw/zinc/31/77/40/384317740.db2.gz HDNNKWFBSJBELC-VIFPVBQESA-N 1 2 219.288 2.476 20 30 BEEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000335449296 384291094 /nfs/dbraw/zinc/29/10/94/384291094.db2.gz KQTLDWZPSYUQDA-UHFFFAOYSA-N 1 2 242.326 2.436 20 30 BEEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000335449296 384291104 /nfs/dbraw/zinc/29/11/04/384291104.db2.gz KQTLDWZPSYUQDA-UHFFFAOYSA-N 1 2 242.326 2.436 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC2(CCC2)O1 ZINC000335450371 384291654 /nfs/dbraw/zinc/29/16/54/384291654.db2.gz VUMPCYGXLJSEIA-LLVKDONJSA-N 1 2 246.310 2.295 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CC2(CCC2)O1 ZINC000335450371 384291658 /nfs/dbraw/zinc/29/16/58/384291658.db2.gz VUMPCYGXLJSEIA-LLVKDONJSA-N 1 2 246.310 2.295 20 30 BEEDLO Cc1cc(N[C@@H]2CC=CCC2)c(C#N)c[nH+]1 ZINC000335513651 384303518 /nfs/dbraw/zinc/30/35/18/384303518.db2.gz UDAUYKUCISEDEF-GFCCVEGCSA-N 1 2 213.284 2.204 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(O)cc(F)c1 ZINC000159600210 384434107 /nfs/dbraw/zinc/43/41/07/384434107.db2.gz OCWLAPHQKVVKIJ-LLVKDONJSA-N 1 2 222.263 2.313 20 30 BEEDLO C=C(CC)C[NH2+][C@H](CCCC)C(=O)OC ZINC000313508587 384435297 /nfs/dbraw/zinc/43/52/97/384435297.db2.gz WUKKGAKHYDJTMJ-LLVKDONJSA-N 1 2 213.321 2.274 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000079601462 384505351 /nfs/dbraw/zinc/50/53/51/384505351.db2.gz SCJVHTOVDRQBEC-LLVKDONJSA-N 1 2 246.310 2.192 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000079601462 384505353 /nfs/dbraw/zinc/50/53/53/384505353.db2.gz SCJVHTOVDRQBEC-LLVKDONJSA-N 1 2 246.310 2.192 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc(F)cc1 ZINC000079601619 384505527 /nfs/dbraw/zinc/50/55/27/384505527.db2.gz FERCUMWWRALITJ-NSHDSACASA-N 1 2 236.290 2.438 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000079601619 384505532 /nfs/dbraw/zinc/50/55/32/384505532.db2.gz FERCUMWWRALITJ-NSHDSACASA-N 1 2 236.290 2.438 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccccc1F ZINC000079601641 384507170 /nfs/dbraw/zinc/50/71/70/384507170.db2.gz GWUQOAOUYQHBJE-NSHDSACASA-N 1 2 236.290 2.438 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccccc1F ZINC000079601641 384507174 /nfs/dbraw/zinc/50/71/74/384507174.db2.gz GWUQOAOUYQHBJE-NSHDSACASA-N 1 2 236.290 2.438 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc2nc[nH]c2c1 ZINC000490917444 384488303 /nfs/dbraw/zinc/48/83/03/384488303.db2.gz XTFFKMGUJDATAV-UHFFFAOYSA-N 1 2 237.306 2.021 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc2nc[nH]c2c1 ZINC000490917444 384488308 /nfs/dbraw/zinc/48/83/08/384488308.db2.gz XTFFKMGUJDATAV-UHFFFAOYSA-N 1 2 237.306 2.021 20 30 BEEDLO C=CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000569608703 384535982 /nfs/dbraw/zinc/53/59/82/384535982.db2.gz GGAVCHQLRLSZPC-GFCCVEGCSA-N 1 2 247.342 2.259 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000161777012 384524409 /nfs/dbraw/zinc/52/44/09/384524409.db2.gz DLJGGOOPEYLVQX-JTQLQIEISA-N 1 2 231.274 2.431 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000161777012 384524412 /nfs/dbraw/zinc/52/44/12/384524412.db2.gz DLJGGOOPEYLVQX-JTQLQIEISA-N 1 2 231.274 2.431 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015773 384583662 /nfs/dbraw/zinc/58/36/62/384583662.db2.gz BDNSRQMKVOSFBV-LLVKDONJSA-N 1 2 233.271 2.377 20 30 BEEDLO C#C[C@@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000310041729 384602530 /nfs/dbraw/zinc/60/25/30/384602530.db2.gz YXSMUTLSXQYJTQ-NSHDSACASA-N 1 2 215.300 2.486 20 30 BEEDLO N#C[C@@H]1CCC[C@@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000335073624 384614203 /nfs/dbraw/zinc/61/42/03/384614203.db2.gz SNZJBFCVQHKSRP-RKDXNWHRSA-N 1 2 214.259 2.456 20 30 BEEDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC#N)c1 ZINC000020200111 384597461 /nfs/dbraw/zinc/59/74/61/384597461.db2.gz JSKBZVIQJQXFOV-SNVBAGLBSA-N 1 2 231.299 2.209 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]CC#Cc1ccccc1 ZINC000521063428 384657931 /nfs/dbraw/zinc/65/79/31/384657931.db2.gz USVXMWBDBJVUCI-AWEZNQCLSA-N 1 2 212.296 2.320 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000192222348 384913330 /nfs/dbraw/zinc/91/33/30/384913330.db2.gz SXQDUIHGFVIJFR-LLVKDONJSA-N 1 2 248.301 2.026 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000192222348 384913336 /nfs/dbraw/zinc/91/33/36/384913336.db2.gz SXQDUIHGFVIJFR-LLVKDONJSA-N 1 2 248.301 2.026 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000192230256 384914805 /nfs/dbraw/zinc/91/48/05/384914805.db2.gz NVBNNEWPZRVFDC-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000192230256 384914815 /nfs/dbraw/zinc/91/48/15/384914815.db2.gz NVBNNEWPZRVFDC-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C=CC[C@@H](CO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000302110893 384959530 /nfs/dbraw/zinc/95/95/30/384959530.db2.gz AFKJFYLLIDSDLW-VIFPVBQESA-N 1 2 246.232 2.449 20 30 BEEDLO CCCCO[NH+]=C(N)c1cccc(OC)c1 ZINC000085264948 384930687 /nfs/dbraw/zinc/93/06/87/384930687.db2.gz HXFAMPRHDIBOJT-UHFFFAOYSA-N 1 2 222.288 2.132 20 30 BEEDLO Cc1cc(NCC2CC(C)C2)c(C#N)c[nH+]1 ZINC000598642126 385044795 /nfs/dbraw/zinc/04/47/95/385044795.db2.gz BJMKJKSADZFTLL-UHFFFAOYSA-N 1 2 215.300 2.142 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708878 385183875 /nfs/dbraw/zinc/18/38/75/385183875.db2.gz KIBIFWTWTDHWQX-SSDOTTSWSA-N 1 2 228.217 2.353 20 30 BEEDLO Cc1cccc2[nH+]c(CN(C)[C@@H](C)CC#N)cn21 ZINC000129600594 385166637 /nfs/dbraw/zinc/16/66/37/385166637.db2.gz BOMYNPOAVZQTFT-NSHDSACASA-N 1 2 242.326 2.377 20 30 BEEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000129619833 385170293 /nfs/dbraw/zinc/17/02/93/385170293.db2.gz NLOURGCKNJGXCL-LLVKDONJSA-N 1 2 246.310 2.207 20 30 BEEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000129619833 385170302 /nfs/dbraw/zinc/17/03/02/385170302.db2.gz NLOURGCKNJGXCL-LLVKDONJSA-N 1 2 246.310 2.207 20 30 BEEDLO CC(=O)Nc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000129679354 385173341 /nfs/dbraw/zinc/17/33/41/385173341.db2.gz NOPAMDKJJMHZMY-NSHDSACASA-N 1 2 245.326 2.379 20 30 BEEDLO CC(=O)Nc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000129679354 385173346 /nfs/dbraw/zinc/17/33/46/385173346.db2.gz NOPAMDKJJMHZMY-NSHDSACASA-N 1 2 245.326 2.379 20 30 BEEDLO C#CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000491325817 385350938 /nfs/dbraw/zinc/35/09/38/385350938.db2.gz HFYNUMBPRZTCCK-LBPRGKRZSA-N 1 2 201.269 2.440 20 30 BEEDLO C#CC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000491325817 385350940 /nfs/dbraw/zinc/35/09/40/385350940.db2.gz HFYNUMBPRZTCCK-LBPRGKRZSA-N 1 2 201.269 2.440 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cccc[nH+]1 ZINC000280772876 385370037 /nfs/dbraw/zinc/37/00/37/385370037.db2.gz ORJCKENGLCHJCL-AAEUAGOBSA-N 1 2 218.300 2.475 20 30 BEEDLO N#CCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000364526445 385473570 /nfs/dbraw/zinc/47/35/70/385473570.db2.gz YUSGEYYJIOSZKJ-UHFFFAOYSA-N 1 2 222.332 2.324 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc2ccoc21 ZINC000491374693 385507499 /nfs/dbraw/zinc/50/74/99/385507499.db2.gz SEGGAVJGTGHGOG-AWEZNQCLSA-N 1 2 241.290 2.267 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc2ccoc21 ZINC000491374693 385507502 /nfs/dbraw/zinc/50/75/02/385507502.db2.gz SEGGAVJGTGHGOG-AWEZNQCLSA-N 1 2 241.290 2.267 20 30 BEEDLO Cc1nc(CC(N)=[NH+]OCC2CCC2)cs1 ZINC000157988111 385541781 /nfs/dbraw/zinc/54/17/81/385541781.db2.gz QXPBSEOJRDAICV-UHFFFAOYSA-N 1 2 239.344 2.083 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cccc2c1OCCCO2 ZINC000054180719 385599915 /nfs/dbraw/zinc/59/99/15/385599915.db2.gz ANJYZFIDNHPISS-NSHDSACASA-N 1 2 246.310 2.097 20 30 BEEDLO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)no1 ZINC000595612396 385634742 /nfs/dbraw/zinc/63/47/42/385634742.db2.gz WDVRYTXHYWOJIZ-NSHDSACASA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)no1 ZINC000595612396 385634747 /nfs/dbraw/zinc/63/47/47/385634747.db2.gz WDVRYTXHYWOJIZ-NSHDSACASA-N 1 2 219.288 2.109 20 30 BEEDLO CC[C@H](C[N@H+](CCC#N)Cc1ccccn1)OC ZINC000412977277 385825154 /nfs/dbraw/zinc/82/51/54/385825154.db2.gz LLAQYGSNFBZHJW-CQSZACIVSA-N 1 2 247.342 2.222 20 30 BEEDLO CC[C@H](C[N@@H+](CCC#N)Cc1ccccn1)OC ZINC000412977277 385825159 /nfs/dbraw/zinc/82/51/59/385825159.db2.gz LLAQYGSNFBZHJW-CQSZACIVSA-N 1 2 247.342 2.222 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602854047 385828312 /nfs/dbraw/zinc/82/83/12/385828312.db2.gz LJBRXBFHPVIMFQ-CYBMUJFWSA-N 1 2 215.300 2.175 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602854047 385828315 /nfs/dbraw/zinc/82/83/15/385828315.db2.gz LJBRXBFHPVIMFQ-CYBMUJFWSA-N 1 2 215.300 2.175 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC000280844115 386356561 /nfs/dbraw/zinc/35/65/61/386356561.db2.gz XQCJMXHNMXKGIB-AAEUAGOBSA-N 1 2 233.315 2.178 20 30 BEEDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1(C#N)CC1 ZINC000347454118 386410301 /nfs/dbraw/zinc/41/03/01/386410301.db2.gz CYWSQERMLNCSRK-UHFFFAOYSA-N 1 2 245.282 2.330 20 30 BEEDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1(C#N)CC1 ZINC000347454118 386410304 /nfs/dbraw/zinc/41/03/04/386410304.db2.gz CYWSQERMLNCSRK-UHFFFAOYSA-N 1 2 245.282 2.330 20 30 BEEDLO CC(C)C[C@@H]1COCC[N@@H+]1CC1(C#N)CC1 ZINC000347492934 386421613 /nfs/dbraw/zinc/42/16/13/386421613.db2.gz VZNFYCHBXCEFLK-GFCCVEGCSA-N 1 2 222.332 2.037 20 30 BEEDLO CC(C)C[C@@H]1COCC[N@H+]1CC1(C#N)CC1 ZINC000347492934 386421620 /nfs/dbraw/zinc/42/16/20/386421620.db2.gz VZNFYCHBXCEFLK-GFCCVEGCSA-N 1 2 222.332 2.037 20 30 BEEDLO CC(C)c1nc(N2CCC(F)(C#N)CC2)cc[nH+]1 ZINC000343229084 386512986 /nfs/dbraw/zinc/51/29/86/386512986.db2.gz YXAOBVJXOMHASV-UHFFFAOYSA-N 1 2 248.305 2.432 20 30 BEEDLO C=CC[NH+](CC=C)CC(=O)N(C)c1ccccc1 ZINC000046438303 386513424 /nfs/dbraw/zinc/51/34/24/386513424.db2.gz GUDGUXFHRPVQCR-UHFFFAOYSA-N 1 2 244.338 2.323 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000343236126 386541374 /nfs/dbraw/zinc/54/13/74/386541374.db2.gz GGXAUJFQCYVSPC-SECBINFHSA-N 1 2 221.304 2.193 20 30 BEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@@H]1C1CC1 ZINC000328926987 386656011 /nfs/dbraw/zinc/65/60/11/386656011.db2.gz FMTJKHALWSYRTL-GMTAPVOTSA-N 1 2 245.326 2.270 20 30 BEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@@H]1C1CC1 ZINC000328926987 386656017 /nfs/dbraw/zinc/65/60/17/386656017.db2.gz FMTJKHALWSYRTL-GMTAPVOTSA-N 1 2 245.326 2.270 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000450759951 386682575 /nfs/dbraw/zinc/68/25/75/386682575.db2.gz QBUCAZCKSRMNEO-NEPJUHHUSA-N 1 2 247.342 2.086 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)CCCC#N ZINC000425580549 386657670 /nfs/dbraw/zinc/65/76/70/386657670.db2.gz FVFZRVAADBNBKA-UHFFFAOYSA-N 1 2 217.272 2.331 20 30 BEEDLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000330468837 386725883 /nfs/dbraw/zinc/72/58/83/386725883.db2.gz YWVJNKXVOJEFPW-VIFPVBQESA-N 1 2 209.293 2.457 20 30 BEEDLO Cc1nc(C2([NH2+]CCCC#N)CCCCC2)no1 ZINC000330616393 386820529 /nfs/dbraw/zinc/82/05/29/386820529.db2.gz VDBATXKSVBAIHY-UHFFFAOYSA-N 1 2 248.330 2.431 20 30 BEEDLO CC(C)n1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)n1 ZINC000330645364 386810885 /nfs/dbraw/zinc/81/08/85/386810885.db2.gz FAQDPGBEMLBAJQ-YPMHNXCESA-N 1 2 232.331 2.246 20 30 BEEDLO CC(C)(O)CC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000334781937 386838333 /nfs/dbraw/zinc/83/83/33/386838333.db2.gz LBXCSWRKDXKMFF-LLVKDONJSA-N 1 2 224.348 2.162 20 30 BEEDLO CC(C)(O)CC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000334781937 386838335 /nfs/dbraw/zinc/83/83/35/386838335.db2.gz LBXCSWRKDXKMFF-LLVKDONJSA-N 1 2 224.348 2.162 20 30 BEEDLO CC(C)n1c[nH+]cc1CN(C)[C@H](C)CC#N ZINC000425339898 386839031 /nfs/dbraw/zinc/83/90/31/386839031.db2.gz UOFWWMXJIGQMNW-LLVKDONJSA-N 1 2 220.320 2.198 20 30 BEEDLO C=CC(C)(C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000452773220 386845211 /nfs/dbraw/zinc/84/52/11/386845211.db2.gz HYRMOKAPNBBGEM-UHFFFAOYSA-N 1 2 243.310 2.276 20 30 BEEDLO CC/C=C/CNc1cc(C)[nH+]cc1C#N ZINC000399501021 386911915 /nfs/dbraw/zinc/91/19/15/386911915.db2.gz JPVVTVDZOBSSAK-SNAWJCMRSA-N 1 2 201.273 2.062 20 30 BEEDLO N#Cc1cccc([C@H]2C[N@H+](CCCF)CCO2)c1 ZINC000367141870 386956154 /nfs/dbraw/zinc/95/61/54/386956154.db2.gz SBBQPQSDMWWBJN-CQSZACIVSA-N 1 2 248.301 2.291 20 30 BEEDLO N#Cc1cccc([C@H]2C[N@@H+](CCCF)CCO2)c1 ZINC000367141870 386956158 /nfs/dbraw/zinc/95/61/58/386956158.db2.gz SBBQPQSDMWWBJN-CQSZACIVSA-N 1 2 248.301 2.291 20 30 BEEDLO N#Cc1c(F)cccc1C[NH+]1CCC(C#N)CC1 ZINC000336416969 387242968 /nfs/dbraw/zinc/24/29/68/387242968.db2.gz LGDKDZRWCPZZCT-UHFFFAOYSA-N 1 2 243.285 2.433 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)NCCCCn1cc[nH+]c1 ZINC000525948663 387312372 /nfs/dbraw/zinc/31/23/72/387312372.db2.gz LTMYJFLNVUTFGU-AWEZNQCLSA-N 1 2 249.358 2.382 20 30 BEEDLO CCOC1(C)C[NH+](Cc2cccc(C#N)c2)C1 ZINC000399956820 387363159 /nfs/dbraw/zinc/36/31/59/387363159.db2.gz KXODYNJOQZZBDL-UHFFFAOYSA-N 1 2 230.311 2.169 20 30 BEEDLO Cn1c2ccccc2nc1C[NH2+]CC(C)(C)C#N ZINC000168930943 387372488 /nfs/dbraw/zinc/37/24/88/387372488.db2.gz RLPHEGYVIAWPFH-UHFFFAOYSA-N 1 2 242.326 2.213 20 30 BEEDLO CC(=O)c1cc(C[NH+]2CCC(C)(C#N)CC2)on1 ZINC000572374461 387351208 /nfs/dbraw/zinc/35/12/08/387351208.db2.gz RKHLKQKFRYFJMY-UHFFFAOYSA-N 1 2 247.298 2.003 20 30 BEEDLO C=C1CC[NH+](Cc2nc(CCC)no2)CC1 ZINC000264492867 387390373 /nfs/dbraw/zinc/39/03/73/387390373.db2.gz SVWLFCOMODRGPL-UHFFFAOYSA-N 1 2 221.304 2.174 20 30 BEEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000266010103 387402245 /nfs/dbraw/zinc/40/22/45/387402245.db2.gz NKMSOVCKUGJASD-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000266010103 387402248 /nfs/dbraw/zinc/40/22/48/387402248.db2.gz NKMSOVCKUGJASD-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO N#Cc1csc(C[NH2+]Cc2cccc(F)c2)n1 ZINC000352840831 387515289 /nfs/dbraw/zinc/51/52/89/387515289.db2.gz OMSYGPCMDUZXRA-UHFFFAOYSA-N 1 2 247.298 2.444 20 30 BEEDLO N#Cc1csc(C[NH2+]Cc2cccc(O)c2)n1 ZINC000352836608 387516615 /nfs/dbraw/zinc/51/66/15/387516615.db2.gz VKEYFNONHYYJGS-UHFFFAOYSA-N 1 2 245.307 2.010 20 30 BEEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccnc1 ZINC000352843380 387516675 /nfs/dbraw/zinc/51/66/75/387516675.db2.gz ZKFSYJZVZWVOMG-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO C#CCC(C)(C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000274349710 387471478 /nfs/dbraw/zinc/47/14/78/387471478.db2.gz OYEHTYQSXIEIJZ-UHFFFAOYSA-N 1 2 241.294 2.322 20 30 BEEDLO Cc1occc1C[N@H+](C)C[C@H](C#N)CCC#N ZINC000193557670 387493406 /nfs/dbraw/zinc/49/34/06/387493406.db2.gz WQJSVLPERKDSIJ-LBPRGKRZSA-N 1 2 231.299 2.463 20 30 BEEDLO Cc1occc1C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000193557670 387493409 /nfs/dbraw/zinc/49/34/09/387493409.db2.gz WQJSVLPERKDSIJ-LBPRGKRZSA-N 1 2 231.299 2.463 20 30 BEEDLO C[C@@H](CCCC#N)[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001172492019 974839669 /nfs/dbraw/zinc/83/96/69/974839669.db2.gz ISPQJLOHQMELGD-QWRGUYRKSA-N 1 2 246.301 2.161 20 30 BEEDLO C[C@@H](CCCC#N)[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001172492019 974839670 /nfs/dbraw/zinc/83/96/70/974839670.db2.gz ISPQJLOHQMELGD-QWRGUYRKSA-N 1 2 246.301 2.161 20 30 BEEDLO C=CC(C)(C)CCNc1[nH+]cnc2c1cnn2C ZINC000528074216 387842762 /nfs/dbraw/zinc/84/27/62/387842762.db2.gz LQRKQBRZTDOYIC-UHFFFAOYSA-N 1 2 245.330 2.378 20 30 BEEDLO CC[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000178912048 387926793 /nfs/dbraw/zinc/92/67/93/387926793.db2.gz PBSRONZIYLWQSG-HNNXBMFYSA-N 1 2 247.313 2.288 20 30 BEEDLO CC[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000178912048 387926798 /nfs/dbraw/zinc/92/67/98/387926798.db2.gz PBSRONZIYLWQSG-HNNXBMFYSA-N 1 2 247.313 2.288 20 30 BEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccsc2)nn1 ZINC000424295128 387956758 /nfs/dbraw/zinc/95/67/58/387956758.db2.gz MGPYWVTUUSEVPQ-JTQLQIEISA-N 1 2 248.355 2.376 20 30 BEEDLO CC#CC[NH2+][C@H](C)c1csc(CC)n1 ZINC000159846459 388032784 /nfs/dbraw/zinc/03/27/84/388032784.db2.gz VNYBFIBYLIYYGQ-SECBINFHSA-N 1 2 208.330 2.379 20 30 BEEDLO COCC[N@H+](CC#N)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000453597391 388089740 /nfs/dbraw/zinc/08/97/40/388089740.db2.gz LOPUSPAZTWHFAV-TZMCWYRMSA-N 1 2 236.359 2.451 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000453597391 388089743 /nfs/dbraw/zinc/08/97/43/388089743.db2.gz LOPUSPAZTWHFAV-TZMCWYRMSA-N 1 2 236.359 2.451 20 30 BEEDLO COCC[N@H+](CC#N)C[C@H]1CCCC[C@@H]1C ZINC000453601741 388089866 /nfs/dbraw/zinc/08/98/66/388089866.db2.gz VAXOECYXJIXODZ-QWHCGFSZSA-N 1 2 224.348 2.285 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@H]1CCCC[C@@H]1C ZINC000453601741 388089868 /nfs/dbraw/zinc/08/98/68/388089868.db2.gz VAXOECYXJIXODZ-QWHCGFSZSA-N 1 2 224.348 2.285 20 30 BEEDLO COCC[N@H+](CC#N)C[C@@H]1CCCC[C@@H]1C ZINC000453601742 388089990 /nfs/dbraw/zinc/08/99/90/388089990.db2.gz VAXOECYXJIXODZ-STQMWFEESA-N 1 2 224.348 2.285 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@@H]1CCCC[C@@H]1C ZINC000453601742 388089992 /nfs/dbraw/zinc/08/99/92/388089992.db2.gz VAXOECYXJIXODZ-STQMWFEESA-N 1 2 224.348 2.285 20 30 BEEDLO C=CCN(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455552716 388163768 /nfs/dbraw/zinc/16/37/68/388163768.db2.gz BXJBNZULOJUDON-UHFFFAOYSA-N 1 2 233.315 2.026 20 30 BEEDLO C=CCCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454879464 388138146 /nfs/dbraw/zinc/13/81/46/388138146.db2.gz VRMOIDLFAXYIKO-MNOVXSKESA-N 1 2 248.330 2.154 20 30 BEEDLO C#CC[N@H+](Cc1csnn1)C1CCCCC1 ZINC000490897496 388259042 /nfs/dbraw/zinc/25/90/42/388259042.db2.gz BZPKWYVUHLLCFI-UHFFFAOYSA-N 1 2 235.356 2.306 20 30 BEEDLO C#CC[N@@H+](Cc1csnn1)C1CCCCC1 ZINC000490897496 388259045 /nfs/dbraw/zinc/25/90/45/388259045.db2.gz BZPKWYVUHLLCFI-UHFFFAOYSA-N 1 2 235.356 2.306 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(F)cc1 ZINC000491278344 388281916 /nfs/dbraw/zinc/28/19/16/388281916.db2.gz SRYCVXUDRGUEIC-CYBMUJFWSA-N 1 2 229.258 2.013 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000491288854 388282902 /nfs/dbraw/zinc/28/29/02/388282902.db2.gz VPSHMLOSSXQFTP-SNVBAGLBSA-N 1 2 249.383 2.195 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000491288854 388282903 /nfs/dbraw/zinc/28/29/03/388282903.db2.gz VPSHMLOSSXQFTP-SNVBAGLBSA-N 1 2 249.383 2.195 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000491288853 388282908 /nfs/dbraw/zinc/28/29/08/388282908.db2.gz VPSHMLOSSXQFTP-JTQLQIEISA-N 1 2 249.383 2.195 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000491288853 388282909 /nfs/dbraw/zinc/28/29/09/388282909.db2.gz VPSHMLOSSXQFTP-JTQLQIEISA-N 1 2 249.383 2.195 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc2ccc(F)cc2[nH]1 ZINC000491313965 388284306 /nfs/dbraw/zinc/28/43/06/388284306.db2.gz CARGHNODGGRTSJ-UHFFFAOYSA-N 1 2 240.281 2.375 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1cc(C)n(CC)c1C ZINC000491475153 388296971 /nfs/dbraw/zinc/29/69/71/388296971.db2.gz UHSANIXXOTZVSA-LLVKDONJSA-N 1 2 246.354 2.261 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1cc(C)n(CC)c1C ZINC000491475153 388296973 /nfs/dbraw/zinc/29/69/73/388296973.db2.gz UHSANIXXOTZVSA-LLVKDONJSA-N 1 2 246.354 2.261 20 30 BEEDLO C#C[C@@H](CC)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000491638324 388307415 /nfs/dbraw/zinc/30/74/15/388307415.db2.gz XGRLBFCHBGLRHC-NSHDSACASA-N 1 2 231.299 2.232 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000491653242 388308134 /nfs/dbraw/zinc/30/81/34/388308134.db2.gz CIVVPFYAHRCHIP-SECBINFHSA-N 1 2 247.323 2.252 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000491653242 388308135 /nfs/dbraw/zinc/30/81/35/388308135.db2.gz CIVVPFYAHRCHIP-SECBINFHSA-N 1 2 247.323 2.252 20 30 BEEDLO C#C[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(F)cc1 ZINC000491672669 388310003 /nfs/dbraw/zinc/31/00/03/388310003.db2.gz PWWSBJDCVTYJQU-AWEZNQCLSA-N 1 2 243.285 2.023 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000491772422 388319273 /nfs/dbraw/zinc/31/92/73/388319273.db2.gz TYIPIFSSYADYCA-VIFPVBQESA-N 1 2 204.273 2.006 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000491772422 388319274 /nfs/dbraw/zinc/31/92/74/388319274.db2.gz TYIPIFSSYADYCA-VIFPVBQESA-N 1 2 204.273 2.006 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1c(Cl)nc2ccccn21 ZINC000491819449 388323942 /nfs/dbraw/zinc/32/39/42/388323942.db2.gz TYQIVNPIJYOZHL-JTQLQIEISA-N 1 2 247.729 2.441 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1c(Cl)nc2ccccn21 ZINC000491819449 388323943 /nfs/dbraw/zinc/32/39/43/388323943.db2.gz TYQIVNPIJYOZHL-JTQLQIEISA-N 1 2 247.729 2.441 20 30 BEEDLO CC1(C#N)C[NH+](CCCOCc2ccccc2)C1 ZINC000573015896 388406293 /nfs/dbraw/zinc/40/62/93/388406293.db2.gz AXGSAONLPAPSLZ-UHFFFAOYSA-N 1 2 244.338 2.439 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1ccccc1F ZINC000164681962 388396442 /nfs/dbraw/zinc/39/64/42/388396442.db2.gz YBKIUUAUUBOLHV-UHFFFAOYSA-N 1 2 206.264 2.465 20 30 BEEDLO Cc1cc(C)c(CNC(=O)C2(C#N)CCC2)c[nH+]1 ZINC000335042792 388448525 /nfs/dbraw/zinc/44/85/25/388448525.db2.gz HKSBWARVVLWLNM-UHFFFAOYSA-N 1 2 243.310 2.009 20 30 BEEDLO Cc1cccc(C[N@@H+](C)CC(C)(C)C#N)n1 ZINC000405220983 388454794 /nfs/dbraw/zinc/45/47/94/388454794.db2.gz MFQOBAXYQVNFCC-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO Cc1cccc(C[N@H+](C)CC(C)(C)C#N)n1 ZINC000405220983 388454795 /nfs/dbraw/zinc/45/47/95/388454795.db2.gz MFQOBAXYQVNFCC-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO COCC[N@H+](CC#N)C[C@H]1CCC[C@@H](C)C1 ZINC000316537794 388416072 /nfs/dbraw/zinc/41/60/72/388416072.db2.gz AFJGEKYTHQTOEG-OLZOCXBDSA-N 1 2 224.348 2.285 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@H]1CCC[C@@H](C)C1 ZINC000316537794 388416074 /nfs/dbraw/zinc/41/60/74/388416074.db2.gz AFJGEKYTHQTOEG-OLZOCXBDSA-N 1 2 224.348 2.285 20 30 BEEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)[C@@H](C)CO1 ZINC000245546887 388422658 /nfs/dbraw/zinc/42/26/58/388422658.db2.gz VWXIEIVAYXRCHW-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@@H](C)CO1 ZINC000245546887 388422661 /nfs/dbraw/zinc/42/26/61/388422661.db2.gz VWXIEIVAYXRCHW-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO Cc1cnc(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000173471760 388423559 /nfs/dbraw/zinc/42/35/59/388423559.db2.gz GXTLDPJNCRUQCX-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1cnc(C[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000173471760 388423561 /nfs/dbraw/zinc/42/35/61/388423561.db2.gz GXTLDPJNCRUQCX-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO CC#CC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000136765154 388548715 /nfs/dbraw/zinc/54/87/15/388548715.db2.gz IQYJATQARXJOOG-LBPRGKRZSA-N 1 2 239.359 2.452 20 30 BEEDLO CC#CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000136765154 388548717 /nfs/dbraw/zinc/54/87/17/388548717.db2.gz IQYJATQARXJOOG-LBPRGKRZSA-N 1 2 239.359 2.452 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000517390521 388549419 /nfs/dbraw/zinc/54/94/19/388549419.db2.gz FEGZOSKGXJWENB-LBPRGKRZSA-N 1 2 245.326 2.215 20 30 BEEDLO Cn1c[nH+]cc1COc1ccc(C#N)c(F)c1 ZINC000094600534 388609706 /nfs/dbraw/zinc/60/97/06/388609706.db2.gz RAORRQDNGDHINZ-UHFFFAOYSA-N 1 2 231.230 2.010 20 30 BEEDLO Cc1nc(N(C)Cc2cccc(C#N)c2)cc[nH+]1 ZINC000061948228 388648315 /nfs/dbraw/zinc/64/83/15/388648315.db2.gz NTOLFKOYDPGMFU-UHFFFAOYSA-N 1 2 238.294 2.293 20 30 BEEDLO C[C@@H]1OCC[N@H+](Cc2cc(C#N)cs2)[C@H]1C ZINC000093418633 388742967 /nfs/dbraw/zinc/74/29/67/388742967.db2.gz DMHBIPHRVHSTIY-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1OCC[N@@H+](Cc2cc(C#N)cs2)[C@H]1C ZINC000093418633 388742970 /nfs/dbraw/zinc/74/29/70/388742970.db2.gz DMHBIPHRVHSTIY-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H](CCc1ccccc1)[N@H+](C)CC#N ZINC000194970481 388748081 /nfs/dbraw/zinc/74/80/81/388748081.db2.gz AGUHPPRLVSBIAD-GFCCVEGCSA-N 1 2 202.301 2.463 20 30 BEEDLO C[C@H](CCc1ccccc1)[N@@H+](C)CC#N ZINC000194970481 388748084 /nfs/dbraw/zinc/74/80/84/388748084.db2.gz AGUHPPRLVSBIAD-GFCCVEGCSA-N 1 2 202.301 2.463 20 30 BEEDLO N#Cc1ccnc(SCc2cc[nH+]c(N)c2)c1 ZINC000193084960 388754205 /nfs/dbraw/zinc/75/42/05/388754205.db2.gz URCNASCKNOTFGD-UHFFFAOYSA-N 1 2 242.307 2.223 20 30 BEEDLO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1ncon1 ZINC000538469132 388691171 /nfs/dbraw/zinc/69/11/71/388691171.db2.gz FIIAWMCCPAELFV-JTQLQIEISA-N 1 2 234.303 2.146 20 30 BEEDLO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1ncon1 ZINC000538469132 388691174 /nfs/dbraw/zinc/69/11/74/388691174.db2.gz FIIAWMCCPAELFV-JTQLQIEISA-N 1 2 234.303 2.146 20 30 BEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc[nH]1 ZINC000425365195 388704196 /nfs/dbraw/zinc/70/41/96/388704196.db2.gz JGUSOELRIHDUFV-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc[nH]1 ZINC000425365195 388704198 /nfs/dbraw/zinc/70/41/98/388704198.db2.gz JGUSOELRIHDUFV-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1c[nH]cn1 ZINC000425365195 388704200 /nfs/dbraw/zinc/70/42/00/388704200.db2.gz JGUSOELRIHDUFV-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1c[nH]cn1 ZINC000425365195 388704201 /nfs/dbraw/zinc/70/42/01/388704201.db2.gz JGUSOELRIHDUFV-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO C#C[C@H](CC)[NH2+]Cc1ncc(Cl)s1 ZINC000229902190 388805001 /nfs/dbraw/zinc/80/50/01/388805001.db2.gz WAAVKJOWJPHZJH-SSDOTTSWSA-N 1 2 214.721 2.298 20 30 BEEDLO C[C@@H]1OCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000156023025 388784844 /nfs/dbraw/zinc/78/48/44/388784844.db2.gz UDRFWOGBRCGXKV-RYUDHWBXSA-N 1 2 230.311 2.167 20 30 BEEDLO C[C@@H]1OCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000156023025 388784850 /nfs/dbraw/zinc/78/48/50/388784850.db2.gz UDRFWOGBRCGXKV-RYUDHWBXSA-N 1 2 230.311 2.167 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000156024608 388786106 /nfs/dbraw/zinc/78/61/06/388786106.db2.gz DGPDAVVMCOEFLM-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000156024608 388786109 /nfs/dbraw/zinc/78/61/09/388786109.db2.gz DGPDAVVMCOEFLM-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO Cc1c[nH+]c(C)nc1N[C@@H]1CC[C@H](C#N)C1 ZINC000565225567 388928538 /nfs/dbraw/zinc/92/85/38/388928538.db2.gz FKUCEGRAAAOLPZ-WDEREUQCSA-N 1 2 216.288 2.198 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(C#N)c1F ZINC000566018250 388983735 /nfs/dbraw/zinc/98/37/35/388983735.db2.gz YOGWRDGNKLBLNE-LBPRGKRZSA-N 1 2 231.274 2.479 20 30 BEEDLO C[C@@H](CCCC#N)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172494895 974845116 /nfs/dbraw/zinc/84/51/16/974845116.db2.gz ZJNPMVBWXAZUNT-LPEHRKFASA-N 1 2 202.248 2.061 20 30 BEEDLO C[C@@H](CCCC#N)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172494895 974845119 /nfs/dbraw/zinc/84/51/19/974845119.db2.gz ZJNPMVBWXAZUNT-LPEHRKFASA-N 1 2 202.248 2.061 20 30 BEEDLO C=CCCCSc1[nH+]cnc2c1cnn2C ZINC000117550301 133448896 /nfs/dbraw/zinc/44/88/96/133448896.db2.gz RFLVQJRSDPACNT-UHFFFAOYSA-N 1 2 234.328 2.422 20 30 BEEDLO CC1(C#N)CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000272484845 133543344 /nfs/dbraw/zinc/54/33/44/133543344.db2.gz PETUSRNCRMHTLK-UHFFFAOYSA-N 1 2 242.326 2.484 20 30 BEEDLO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CCC1(F)F ZINC000352003769 134034879 /nfs/dbraw/zinc/03/48/79/134034879.db2.gz AJDSOMWKEGNEDQ-MNOVXSKESA-N 1 2 241.285 2.407 20 30 BEEDLO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCC1(F)F ZINC000352003769 134034880 /nfs/dbraw/zinc/03/48/80/134034880.db2.gz AJDSOMWKEGNEDQ-MNOVXSKESA-N 1 2 241.285 2.407 20 30 BEEDLO Cc1ccn2c(CN(C)C[C@@H](C)C#N)c[nH+]c2c1 ZINC000352092076 134061362 /nfs/dbraw/zinc/06/13/62/134061362.db2.gz NYOWUJDZOQWLEY-LBPRGKRZSA-N 1 2 242.326 2.234 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000352097920 134064703 /nfs/dbraw/zinc/06/47/03/134064703.db2.gz XKNRCQTYTQACKK-JTQLQIEISA-N 1 2 234.347 2.299 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000352097920 134064704 /nfs/dbraw/zinc/06/47/04/134064704.db2.gz XKNRCQTYTQACKK-JTQLQIEISA-N 1 2 234.347 2.299 20 30 BEEDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000336094807 134079508 /nfs/dbraw/zinc/07/95/08/134079508.db2.gz UPWPJHOPQDKSKG-JTQLQIEISA-N 1 2 234.299 2.151 20 30 BEEDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)o1 ZINC000336094807 134079509 /nfs/dbraw/zinc/07/95/09/134079509.db2.gz UPWPJHOPQDKSKG-JTQLQIEISA-N 1 2 234.299 2.151 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)NCC(C)(C)C#N ZINC000336146485 134102528 /nfs/dbraw/zinc/10/25/28/134102528.db2.gz GUOPRZSELWMFSY-UHFFFAOYSA-N 1 2 246.314 2.370 20 30 BEEDLO N#CC1(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)CCC1 ZINC000336187394 134122241 /nfs/dbraw/zinc/12/22/41/134122241.db2.gz ZNUBPCVBENFZDN-CHWSQXEVSA-N 1 2 234.343 2.324 20 30 BEEDLO N#CC1(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)CCC1 ZINC000336187394 134122242 /nfs/dbraw/zinc/12/22/42/134122242.db2.gz ZNUBPCVBENFZDN-CHWSQXEVSA-N 1 2 234.343 2.324 20 30 BEEDLO N#CCC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000336533058 134149170 /nfs/dbraw/zinc/14/91/70/134149170.db2.gz SCUGZAVPFDUMSV-CQSZACIVSA-N 1 2 228.295 2.031 20 30 BEEDLO N#CCC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000336533058 134149171 /nfs/dbraw/zinc/14/91/71/134149171.db2.gz SCUGZAVPFDUMSV-CQSZACIVSA-N 1 2 228.295 2.031 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnccc1C ZINC000353382130 134163471 /nfs/dbraw/zinc/16/34/71/134163471.db2.gz PHTZROGFYRTCRG-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnccc1C ZINC000353382130 134163472 /nfs/dbraw/zinc/16/34/72/134163472.db2.gz PHTZROGFYRTCRG-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO Cc1ccc(O)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)n1 ZINC000354034452 134165904 /nfs/dbraw/zinc/16/59/04/134165904.db2.gz RBCLVXPKKGXTJG-JTQLQIEISA-N 1 2 245.326 2.220 20 30 BEEDLO Cc1ccc(O)c(C[N@H+](C[C@@H](C)C#N)C2CC2)n1 ZINC000354034452 134165905 /nfs/dbraw/zinc/16/59/05/134165905.db2.gz RBCLVXPKKGXTJG-JTQLQIEISA-N 1 2 245.326 2.220 20 30 BEEDLO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CCC#N ZINC000358777327 134192607 /nfs/dbraw/zinc/19/26/07/134192607.db2.gz FTXSDAJMYFGSBO-OLZOCXBDSA-N 1 2 224.348 2.427 20 30 BEEDLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)CCC#N ZINC000358777327 134192608 /nfs/dbraw/zinc/19/26/08/134192608.db2.gz FTXSDAJMYFGSBO-OLZOCXBDSA-N 1 2 224.348 2.427 20 30 BEEDLO C=CCOCCCSCCn1cc[nH+]c1 ZINC000359133599 134194006 /nfs/dbraw/zinc/19/40/06/134194006.db2.gz XLAHKWHHUNUICZ-UHFFFAOYSA-N 1 2 226.345 2.209 20 30 BEEDLO CCN(C)c1ccc(C[N@H+](CC)CCC#N)cn1 ZINC000361500867 134205809 /nfs/dbraw/zinc/20/58/09/134205809.db2.gz JWMRCHKWOXANQM-UHFFFAOYSA-N 1 2 246.358 2.273 20 30 BEEDLO CCN(C)c1ccc(C[N@@H+](CC)CCC#N)cn1 ZINC000361500867 134205810 /nfs/dbraw/zinc/20/58/10/134205810.db2.gz JWMRCHKWOXANQM-UHFFFAOYSA-N 1 2 246.358 2.273 20 30 BEEDLO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccon1 ZINC000361753952 134207296 /nfs/dbraw/zinc/20/72/96/134207296.db2.gz MBVFUMWVNFSVRD-LBPRGKRZSA-N 1 2 226.279 2.377 20 30 BEEDLO Cc1noc([C@H](C)[NH2+]CC#Cc2ccccc2)n1 ZINC000361772819 134207504 /nfs/dbraw/zinc/20/75/04/134207504.db2.gz YWDOKSKWJBUCAT-NSHDSACASA-N 1 2 241.294 2.080 20 30 BEEDLO C=C(C)C[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000368998639 134221038 /nfs/dbraw/zinc/22/10/38/134221038.db2.gz FDKPKZARXKBSOY-LLVKDONJSA-N 1 2 221.304 2.481 20 30 BEEDLO C=C(C)C[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000368998639 134221039 /nfs/dbraw/zinc/22/10/39/134221039.db2.gz FDKPKZARXKBSOY-LLVKDONJSA-N 1 2 221.304 2.481 20 30 BEEDLO CC(C)c1nc(C2CC[NH+](CCC#N)CC2)no1 ZINC000369279593 134222304 /nfs/dbraw/zinc/22/23/04/134222304.db2.gz MDIYNRFGPJXAAT-UHFFFAOYSA-N 1 2 248.330 2.286 20 30 BEEDLO CC#CCCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000372106764 134230463 /nfs/dbraw/zinc/23/04/63/134230463.db2.gz BAYREVQKOOXFOF-LBPRGKRZSA-N 1 2 245.326 2.267 20 30 BEEDLO C=C(Cl)CN1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373110941 134233482 /nfs/dbraw/zinc/23/34/82/134233482.db2.gz JUAPXZIIMVOODL-LLVKDONJSA-N 1 2 239.750 2.352 20 30 BEEDLO CC#CC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000374565898 134237220 /nfs/dbraw/zinc/23/72/20/134237220.db2.gz KQCAYJJLWAMCII-UHFFFAOYSA-N 1 2 219.259 2.043 20 30 BEEDLO CC#CC[N@H+]1CCOc2cccc(F)c2C1 ZINC000374565898 134237221 /nfs/dbraw/zinc/23/72/21/134237221.db2.gz KQCAYJJLWAMCII-UHFFFAOYSA-N 1 2 219.259 2.043 20 30 BEEDLO C=C(C)C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000375791131 134240485 /nfs/dbraw/zinc/24/04/85/134240485.db2.gz JZCKHGKJVYNHQM-NSHDSACASA-N 1 2 207.273 2.229 20 30 BEEDLO C=C(C)C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000375791131 134240486 /nfs/dbraw/zinc/24/04/86/134240486.db2.gz JZCKHGKJVYNHQM-NSHDSACASA-N 1 2 207.273 2.229 20 30 BEEDLO CCc1ncc(C[NH2+][C@@H](CC)CC#N)s1 ZINC000054183947 134387739 /nfs/dbraw/zinc/38/77/39/134387739.db2.gz NILGVPONMVCENE-VIFPVBQESA-N 1 2 223.345 2.487 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccnc(Cl)c1 ZINC000063086161 134395745 /nfs/dbraw/zinc/39/57/45/134395745.db2.gz IFYICZSAZJHZQY-SECBINFHSA-N 1 2 223.707 2.469 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccnc(Cl)c1 ZINC000063086161 134395747 /nfs/dbraw/zinc/39/57/47/134395747.db2.gz IFYICZSAZJHZQY-SECBINFHSA-N 1 2 223.707 2.469 20 30 BEEDLO C[C@H](CC#N)N(C)Cc1cn2ccccc2[nH+]1 ZINC000063095669 134395946 /nfs/dbraw/zinc/39/59/46/134395946.db2.gz AUVSPRAYWKLPEB-LLVKDONJSA-N 1 2 228.299 2.068 20 30 BEEDLO CCC[N@@H+](CC#N)CCCO[C@@H]1CCCCO1 ZINC000338310030 135033865 /nfs/dbraw/zinc/03/38/65/135033865.db2.gz XLNMYTIOXUPRAY-CYBMUJFWSA-N 1 2 240.347 2.155 20 30 BEEDLO CCC[N@H+](CC#N)CCCO[C@@H]1CCCCO1 ZINC000338310030 135033867 /nfs/dbraw/zinc/03/38/67/135033867.db2.gz XLNMYTIOXUPRAY-CYBMUJFWSA-N 1 2 240.347 2.155 20 30 BEEDLO CCC(CC)([NH2+]CCC(C)(C)C#N)C(=O)OC ZINC000338391566 135036198 /nfs/dbraw/zinc/03/61/98/135036198.db2.gz ZTYZSWSCNCXFSO-UHFFFAOYSA-N 1 2 240.347 2.248 20 30 BEEDLO COc1cc[nH+]c(CN(CCC#N)CC2CC2)c1 ZINC000267164805 135152053 /nfs/dbraw/zinc/15/20/53/135152053.db2.gz GOEKCQFKITVISN-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1ccnc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000267164805 135152055 /nfs/dbraw/zinc/15/20/55/135152055.db2.gz GOEKCQFKITVISN-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1ccnc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000267164805 135152057 /nfs/dbraw/zinc/15/20/57/135152057.db2.gz GOEKCQFKITVISN-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO Cc1ccc(NC(=O)N(C)C[C@@H](C)C#N)c(C)[nH+]1 ZINC000268014987 135157692 /nfs/dbraw/zinc/15/76/92/135157692.db2.gz IPASOQMZOUTPBI-VIFPVBQESA-N 1 2 246.314 2.322 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268262987 135158381 /nfs/dbraw/zinc/15/83/81/135158381.db2.gz LPPIWGSNJGQVQU-NEPJUHHUSA-N 1 2 234.299 2.081 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268262987 135158383 /nfs/dbraw/zinc/15/83/83/135158383.db2.gz LPPIWGSNJGQVQU-NEPJUHHUSA-N 1 2 234.299 2.081 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000268326089 135158709 /nfs/dbraw/zinc/15/87/09/135158709.db2.gz VSUCPPZZFRZBNE-LBPRGKRZSA-N 1 2 243.310 2.323 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000268326089 135158711 /nfs/dbraw/zinc/15/87/11/135158711.db2.gz VSUCPPZZFRZBNE-LBPRGKRZSA-N 1 2 243.310 2.323 20 30 BEEDLO Cc1c(C[N@H+](CCC#N)CC(C)(C)C)cnn1C ZINC000268982681 135163662 /nfs/dbraw/zinc/16/36/62/135163662.db2.gz DMGXHHXNLRIXOY-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO Cc1c(C[N@@H+](CCC#N)CC(C)(C)C)cnn1C ZINC000268982681 135163664 /nfs/dbraw/zinc/16/36/64/135163664.db2.gz DMGXHHXNLRIXOY-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO N#CCC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000298555486 135199576 /nfs/dbraw/zinc/19/95/76/135199576.db2.gz OQICKEWEQQATED-LBPRGKRZSA-N 1 2 238.718 2.267 20 30 BEEDLO C[N@H+](CCCC#N)Cc1nccn1C(F)F ZINC000298729403 135200230 /nfs/dbraw/zinc/20/02/30/135200230.db2.gz SCPUUGGHXYXFHP-UHFFFAOYSA-N 1 2 228.246 2.014 20 30 BEEDLO C[N@@H+](CCCC#N)Cc1nccn1C(F)F ZINC000298729403 135200232 /nfs/dbraw/zinc/20/02/32/135200232.db2.gz SCPUUGGHXYXFHP-UHFFFAOYSA-N 1 2 228.246 2.014 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](COC)c1ccco1 ZINC000299022738 135201101 /nfs/dbraw/zinc/20/11/01/135201101.db2.gz RCMUNIOJODPGLE-SECBINFHSA-N 1 2 215.680 2.309 20 30 BEEDLO C#CC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120566906 135219580 /nfs/dbraw/zinc/21/95/80/135219580.db2.gz VYDXYOAZTYGLEA-ZYHUDNBSSA-N 1 2 221.325 2.143 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120566906 135219581 /nfs/dbraw/zinc/21/95/81/135219581.db2.gz VYDXYOAZTYGLEA-ZYHUDNBSSA-N 1 2 221.325 2.143 20 30 BEEDLO C=CC[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121844314 135225201 /nfs/dbraw/zinc/22/52/01/135225201.db2.gz CZFPKTJWXSOCRR-SNVBAGLBSA-N 1 2 219.288 2.476 20 30 BEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1OCC ZINC000121612692 135225671 /nfs/dbraw/zinc/22/56/71/135225671.db2.gz SFWMHUKRMVSVDV-UHFFFAOYSA-N 1 2 248.326 2.142 20 30 BEEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1OCC ZINC000121612692 135225673 /nfs/dbraw/zinc/22/56/73/135225673.db2.gz SFWMHUKRMVSVDV-UHFFFAOYSA-N 1 2 248.326 2.142 20 30 BEEDLO C=C(C)CN(CC)Cc1[nH+]cc(C)n1C ZINC000342787465 135318501 /nfs/dbraw/zinc/31/85/01/135318501.db2.gz JEDDOBWAYUYRLF-UHFFFAOYSA-N 1 2 207.321 2.127 20 30 BEEDLO C=CCN(Cc1[nH+]cc(C)n1C)CC(F)(F)F ZINC000342801132 135322370 /nfs/dbraw/zinc/32/23/70/135322370.db2.gz VWGZMIZHCHGOPX-UHFFFAOYSA-N 1 2 247.264 2.279 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC000266005692 135363073 /nfs/dbraw/zinc/36/30/73/135363073.db2.gz PWIDPNUVMVLADD-UHFFFAOYSA-N 1 2 230.267 2.390 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC000266005692 135363076 /nfs/dbraw/zinc/36/30/76/135363076.db2.gz PWIDPNUVMVLADD-UHFFFAOYSA-N 1 2 230.267 2.390 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000265992767 135363114 /nfs/dbraw/zinc/36/31/14/135363114.db2.gz KKFKGRSTXWOMRV-UHFFFAOYSA-N 1 2 249.285 2.147 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000265992767 135363116 /nfs/dbraw/zinc/36/31/16/135363116.db2.gz KKFKGRSTXWOMRV-UHFFFAOYSA-N 1 2 249.285 2.147 20 30 BEEDLO C=CC[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000299276955 135380337 /nfs/dbraw/zinc/38/03/37/135380337.db2.gz RKBBCYOZVBOGCR-UHFFFAOYSA-N 1 2 221.304 2.313 20 30 BEEDLO Cc1cnc([C@H](C)[NH+]2CCC(C#N)CC2)o1 ZINC000334393108 135385543 /nfs/dbraw/zinc/38/55/43/135385543.db2.gz ZGXVZFFEARGPOQ-JTQLQIEISA-N 1 2 219.288 2.280 20 30 BEEDLO N#CC1(C[N@@H+]2CCOC3(CCCCC3)C2)CC1 ZINC000335328068 136052807 /nfs/dbraw/zinc/05/28/07/136052807.db2.gz DJMDWDGUFISZNE-UHFFFAOYSA-N 1 2 234.343 2.325 20 30 BEEDLO N#CC1(C[N@H+]2CCOC3(CCCCC3)C2)CC1 ZINC000335328068 136052808 /nfs/dbraw/zinc/05/28/08/136052808.db2.gz DJMDWDGUFISZNE-UHFFFAOYSA-N 1 2 234.343 2.325 20 30 BEEDLO Cc1cc(C[N@H+]2CCOC[C@H]2C)ccc1C#N ZINC000335340744 136063787 /nfs/dbraw/zinc/06/37/87/136063787.db2.gz LSUCQLGZODMUQG-GFCCVEGCSA-N 1 2 230.311 2.087 20 30 BEEDLO Cc1cc(C[N@@H+]2CCOC[C@H]2C)ccc1C#N ZINC000335340744 136063788 /nfs/dbraw/zinc/06/37/88/136063788.db2.gz LSUCQLGZODMUQG-GFCCVEGCSA-N 1 2 230.311 2.087 20 30 BEEDLO CC(C)c1[nH]cc(CNC(=O)CC(C)(C)C#N)[nH+]1 ZINC001647824970 1172767478 /nfs/dbraw/zinc/76/74/78/1172767478.db2.gz UBABNRIYAPANHM-UHFFFAOYSA-N 1 2 248.330 2.089 20 30 BEEDLO CC(C)c1[nH]c(CNC(=O)CC(C)(C)C#N)c[nH+]1 ZINC001647824970 1172767484 /nfs/dbraw/zinc/76/74/84/1172767484.db2.gz UBABNRIYAPANHM-UHFFFAOYSA-N 1 2 248.330 2.089 20 30 BEEDLO CC(C)[C@H]1C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000336352779 397936644 /nfs/dbraw/zinc/93/66/44/397936644.db2.gz VOEFFLWQIDPMFS-OAHLLOKOSA-N 1 2 244.338 2.415 20 30 BEEDLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000336352779 397936649 /nfs/dbraw/zinc/93/66/49/397936649.db2.gz VOEFFLWQIDPMFS-OAHLLOKOSA-N 1 2 244.338 2.415 20 30 BEEDLO CCn1nc(C)c(C[N@H+](C)C[C@H](C)C#N)c1C ZINC000271131616 397962678 /nfs/dbraw/zinc/96/26/78/397962678.db2.gz ORIURFLJLDUOMU-SNVBAGLBSA-N 1 2 234.347 2.111 20 30 BEEDLO CCn1nc(C)c(C[N@@H+](C)C[C@H](C)C#N)c1C ZINC000271131616 397962681 /nfs/dbraw/zinc/96/26/81/397962681.db2.gz ORIURFLJLDUOMU-SNVBAGLBSA-N 1 2 234.347 2.111 20 30 BEEDLO CC(C)n1cc(C[N@H+](C)C[C@H](C)C#N)cn1 ZINC000271130775 397962771 /nfs/dbraw/zinc/96/27/71/397962771.db2.gz OINQNVUHCFWWQL-LLVKDONJSA-N 1 2 220.320 2.055 20 30 BEEDLO CC(C)n1cc(C[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000271130775 397962774 /nfs/dbraw/zinc/96/27/74/397962774.db2.gz OINQNVUHCFWWQL-LLVKDONJSA-N 1 2 220.320 2.055 20 30 BEEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000617040608 397922138 /nfs/dbraw/zinc/92/21/38/397922138.db2.gz WKXWNHAACNMNLO-QWHCGFSZSA-N 1 2 247.342 2.134 20 30 BEEDLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623491 397993263 /nfs/dbraw/zinc/99/32/63/397993263.db2.gz RMQMEOGYTCUMTD-VHSXEESVSA-N 1 2 236.344 2.225 20 30 BEEDLO C[C@@H](c1csnn1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623491 397993265 /nfs/dbraw/zinc/99/32/65/397993265.db2.gz RMQMEOGYTCUMTD-VHSXEESVSA-N 1 2 236.344 2.225 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000491633989 398050451 /nfs/dbraw/zinc/05/04/51/398050451.db2.gz JFKVDQDJOVSZPD-CYBMUJFWSA-N 1 2 239.322 2.326 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000491633989 398050456 /nfs/dbraw/zinc/05/04/56/398050456.db2.gz JFKVDQDJOVSZPD-CYBMUJFWSA-N 1 2 239.322 2.326 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000649693351 398041278 /nfs/dbraw/zinc/04/12/78/398041278.db2.gz ALHZWDUGHPOFCR-JTQLQIEISA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCC[C@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000649693351 398041280 /nfs/dbraw/zinc/04/12/80/398041280.db2.gz ALHZWDUGHPOFCR-JTQLQIEISA-N 1 2 219.275 2.045 20 30 BEEDLO COCC#CC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000650192697 397977707 /nfs/dbraw/zinc/97/77/07/397977707.db2.gz PPQLDVMMICFXGK-AWEZNQCLSA-N 1 2 245.322 2.456 20 30 BEEDLO COCC#CC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000650192697 397977708 /nfs/dbraw/zinc/97/77/08/397977708.db2.gz PPQLDVMMICFXGK-AWEZNQCLSA-N 1 2 245.322 2.456 20 30 BEEDLO C=C1CC[NH+](Cc2cc3c(cn2)OCCO3)CC1 ZINC000638033028 398064913 /nfs/dbraw/zinc/06/49/13/398064913.db2.gz SHFCYWCMDOKXBX-UHFFFAOYSA-N 1 2 246.310 2.005 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000491789829 398069537 /nfs/dbraw/zinc/06/95/37/398069537.db2.gz VYJSSTYJRZWZEW-GFCCVEGCSA-N 1 2 237.306 2.264 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000491789829 398069540 /nfs/dbraw/zinc/06/95/40/398069540.db2.gz VYJSSTYJRZWZEW-GFCCVEGCSA-N 1 2 237.306 2.264 20 30 BEEDLO C#CC[N@@H+](Cc1cncn1C(C)C)C1CC1 ZINC000491795126 398072165 /nfs/dbraw/zinc/07/21/65/398072165.db2.gz UMCLIZLEBQSLTF-UHFFFAOYSA-N 1 2 217.316 2.062 20 30 BEEDLO C#CC[N@H+](Cc1cncn1C(C)C)C1CC1 ZINC000491795126 398072168 /nfs/dbraw/zinc/07/21/68/398072168.db2.gz UMCLIZLEBQSLTF-UHFFFAOYSA-N 1 2 217.316 2.062 20 30 BEEDLO C=C(CC)C[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000649704353 398052320 /nfs/dbraw/zinc/05/23/20/398052320.db2.gz FMXFVWBQKREAOD-UHFFFAOYSA-N 1 2 246.358 2.012 20 30 BEEDLO C=C(CC)C[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000649704353 398052326 /nfs/dbraw/zinc/05/23/26/398052326.db2.gz FMXFVWBQKREAOD-UHFFFAOYSA-N 1 2 246.358 2.012 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000292152673 398101898 /nfs/dbraw/zinc/10/18/98/398101898.db2.gz KGQIZMLNQYWGMG-AWEZNQCLSA-N 1 2 248.301 2.261 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000292152673 398101901 /nfs/dbraw/zinc/10/19/01/398101901.db2.gz KGQIZMLNQYWGMG-AWEZNQCLSA-N 1 2 248.301 2.261 20 30 BEEDLO CNc1ccc(Nc2cc(C#N)cc(C)n2)c[nH+]1 ZINC001650879031 1172904407 /nfs/dbraw/zinc/90/44/07/1172904407.db2.gz YYRWEALWZCPROD-UHFFFAOYSA-N 1 2 239.282 2.442 20 30 BEEDLO C#C[C@H](C)N(C)c1cc(CC)[nH+]c(CC)n1 ZINC001651019761 1172915535 /nfs/dbraw/zinc/91/55/35/1172915535.db2.gz GTYILHDFHOQWJV-JTQLQIEISA-N 1 2 217.316 2.059 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(CCCC)no1 ZINC000279313239 166111304 /nfs/dbraw/zinc/11/13/04/166111304.db2.gz RLWYJZFFGCCASZ-UHFFFAOYSA-N 1 2 235.331 2.256 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nc(CCCC)no1 ZINC000279313239 166111307 /nfs/dbraw/zinc/11/13/07/166111307.db2.gz RLWYJZFFGCCASZ-UHFFFAOYSA-N 1 2 235.331 2.256 20 30 BEEDLO C#CCCCCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000277796578 166123074 /nfs/dbraw/zinc/12/30/74/166123074.db2.gz XNORFPPRJJUMHU-CYBMUJFWSA-N 1 2 247.342 2.417 20 30 BEEDLO C=CCCCCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000655247031 409719545 /nfs/dbraw/zinc/71/95/45/409719545.db2.gz URRZUQDMKBQJJF-UHFFFAOYSA-N 1 2 221.304 2.194 20 30 BEEDLO N#CCC[N@@H+](Cc1ccccn1)CC1CC1 ZINC000081514632 410075695 /nfs/dbraw/zinc/07/56/95/410075695.db2.gz HYPIBIFQUCZWCY-UHFFFAOYSA-N 1 2 215.300 2.207 20 30 BEEDLO N#CCC[N@H+](Cc1ccccn1)CC1CC1 ZINC000081514632 410075702 /nfs/dbraw/zinc/07/57/02/410075702.db2.gz HYPIBIFQUCZWCY-UHFFFAOYSA-N 1 2 215.300 2.207 20 30 BEEDLO Cc1nn(C)cc1C[N@H+](CCC#N)CC(C)(C)C ZINC000093101094 410102133 /nfs/dbraw/zinc/10/21/33/410102133.db2.gz AKWFCXYBQRRXPA-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO Cc1nn(C)cc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000093101094 410102139 /nfs/dbraw/zinc/10/21/39/410102139.db2.gz AKWFCXYBQRRXPA-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO Cc1nc(C)c(C[N@@H+](C)C[C@@H](C)C#N)s1 ZINC000266028209 487615105 /nfs/dbraw/zinc/61/51/05/487615105.db2.gz ZDKYTGPVOLGSOT-QMMMGPOBSA-N 1 2 223.345 2.351 20 30 BEEDLO Cc1nc(C)c(C[N@H+](C)C[C@@H](C)C#N)s1 ZINC000266028209 487615110 /nfs/dbraw/zinc/61/51/10/487615110.db2.gz ZDKYTGPVOLGSOT-QMMMGPOBSA-N 1 2 223.345 2.351 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000192222248 166161348 /nfs/dbraw/zinc/16/13/48/166161348.db2.gz FNIPUFCERGSXSI-LLVKDONJSA-N 1 2 241.294 2.363 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000192222248 166161349 /nfs/dbraw/zinc/16/13/49/166161349.db2.gz FNIPUFCERGSXSI-LLVKDONJSA-N 1 2 241.294 2.363 20 30 BEEDLO C#CC[N@@H+](CC)[C@H](C(=O)OC)c1ccccc1C ZINC000274296461 166168858 /nfs/dbraw/zinc/16/88/58/166168858.db2.gz ACJDQZPDMOQJLD-AWEZNQCLSA-N 1 2 245.322 2.164 20 30 BEEDLO C#CC[N@H+](CC)[C@H](C(=O)OC)c1ccccc1C ZINC000274296461 166168859 /nfs/dbraw/zinc/16/88/59/166168859.db2.gz ACJDQZPDMOQJLD-AWEZNQCLSA-N 1 2 245.322 2.164 20 30 BEEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(CCCC)no1 ZINC000266899956 166168877 /nfs/dbraw/zinc/16/88/77/166168877.db2.gz GCZOFHSZCKVGKF-NSHDSACASA-N 1 2 235.331 2.428 20 30 BEEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(CCCC)no1 ZINC000266899956 166168878 /nfs/dbraw/zinc/16/88/78/166168878.db2.gz GCZOFHSZCKVGKF-NSHDSACASA-N 1 2 235.331 2.428 20 30 BEEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000276793086 166225705 /nfs/dbraw/zinc/22/57/05/166225705.db2.gz LCPAWJSWRNLZBV-HZPDHXFCSA-N 1 2 241.334 2.291 20 30 BEEDLO C(#Cc1ccccc1)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000276793086 166225701 /nfs/dbraw/zinc/22/57/01/166225701.db2.gz LCPAWJSWRNLZBV-HZPDHXFCSA-N 1 2 241.334 2.291 20 30 BEEDLO C=CCC[C@H](O)C[N@H+](CC(F)F)C1CC1 ZINC000305057211 166303690 /nfs/dbraw/zinc/30/36/90/166303690.db2.gz FMTDQFODIWJEHB-JTQLQIEISA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+](CC(F)F)C1CC1 ZINC000305057211 166303692 /nfs/dbraw/zinc/30/36/92/166303692.db2.gz FMTDQFODIWJEHB-JTQLQIEISA-N 1 2 219.275 2.043 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1ncc(C)s1 ZINC000191140365 166341122 /nfs/dbraw/zinc/34/11/22/166341122.db2.gz ZBNALUTYKNYEFX-UHFFFAOYSA-N 1 2 226.345 2.086 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1ncc(C)s1 ZINC000191140365 166341124 /nfs/dbraw/zinc/34/11/24/166341124.db2.gz ZBNALUTYKNYEFX-UHFFFAOYSA-N 1 2 226.345 2.086 20 30 BEEDLO C=CC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000119292688 166357176 /nfs/dbraw/zinc/35/71/76/166357176.db2.gz GYRMSSHSCNRQPK-AWEZNQCLSA-N 1 2 245.322 2.146 20 30 BEEDLO C=CC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000119292688 166357178 /nfs/dbraw/zinc/35/71/78/166357178.db2.gz GYRMSSHSCNRQPK-AWEZNQCLSA-N 1 2 245.322 2.146 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C)c(OC)n1 ZINC001652113555 1173033992 /nfs/dbraw/zinc/03/39/92/1173033992.db2.gz DJIRJDCWJAWFLU-NSHDSACASA-N 1 2 233.315 2.181 20 30 BEEDLO C=C(C)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000653830266 411195806 /nfs/dbraw/zinc/19/58/06/411195806.db2.gz CZWCPKXWWRASCM-UHFFFAOYSA-N 1 2 216.284 2.017 20 30 BEEDLO C=C(C)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000653830266 411195808 /nfs/dbraw/zinc/19/58/08/411195808.db2.gz CZWCPKXWWRASCM-UHFFFAOYSA-N 1 2 216.284 2.017 20 30 BEEDLO C=CC[N@@H+]1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000599552354 411277570 /nfs/dbraw/zinc/27/75/70/411277570.db2.gz ZAWCQBCRPOIQPH-UHFFFAOYSA-N 1 2 249.285 2.156 20 30 BEEDLO C=CC[N@H+]1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000599552354 411277574 /nfs/dbraw/zinc/27/75/74/411277574.db2.gz ZAWCQBCRPOIQPH-UHFFFAOYSA-N 1 2 249.285 2.156 20 30 BEEDLO CC1=C[C@@H](C)C[N@H+](Cc2nc(C#N)cs2)C1 ZINC000336451755 168123902 /nfs/dbraw/zinc/12/39/02/168123902.db2.gz VKCIZDJJOFXPHS-SECBINFHSA-N 1 2 233.340 2.413 20 30 BEEDLO CC1=C[C@@H](C)C[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000336451755 168123903 /nfs/dbraw/zinc/12/39/03/168123903.db2.gz VKCIZDJJOFXPHS-SECBINFHSA-N 1 2 233.340 2.413 20 30 BEEDLO CC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000082688048 168184765 /nfs/dbraw/zinc/18/47/65/168184765.db2.gz DSLGDTMLJTVHEI-UHFFFAOYSA-N 1 2 221.329 2.247 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(CC)cc1 ZINC000491452351 411393258 /nfs/dbraw/zinc/39/32/58/411393258.db2.gz KWOCZJIZPCPWLX-LBPRGKRZSA-N 1 2 244.338 2.141 20 30 BEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(CC)cc1 ZINC000491452351 411393262 /nfs/dbraw/zinc/39/32/62/411393262.db2.gz KWOCZJIZPCPWLX-LBPRGKRZSA-N 1 2 244.338 2.141 20 30 BEEDLO C=CC[N@H+](Cc1ncc(C)o1)[C@H](C)COC ZINC000661243756 411735710 /nfs/dbraw/zinc/73/57/10/411735710.db2.gz MSGZBPLVLVSCIV-SNVBAGLBSA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[N@@H+](Cc1ncc(C)o1)[C@H](C)COC ZINC000661243756 411735714 /nfs/dbraw/zinc/73/57/14/411735714.db2.gz MSGZBPLVLVSCIV-SNVBAGLBSA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[N@H+](Cc1cc(C)on1)[C@H](C)COC ZINC000661240189 411740419 /nfs/dbraw/zinc/74/04/19/411740419.db2.gz QIMNZVZMZIGGBM-SNVBAGLBSA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[N@@H+](Cc1cc(C)on1)[C@H](C)COC ZINC000661240189 411740422 /nfs/dbraw/zinc/74/04/22/411740422.db2.gz QIMNZVZMZIGGBM-SNVBAGLBSA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[C@@H]1CCC[N@@H+](Cc2noc(CC)n2)C1 ZINC000661378688 411759904 /nfs/dbraw/zinc/75/99/04/411759904.db2.gz KKQXYMDETRXHSN-LLVKDONJSA-N 1 2 235.331 2.420 20 30 BEEDLO C=CC[C@@H]1CCC[N@H+](Cc2noc(CC)n2)C1 ZINC000661378688 411759909 /nfs/dbraw/zinc/75/99/09/411759909.db2.gz KKQXYMDETRXHSN-LLVKDONJSA-N 1 2 235.331 2.420 20 30 BEEDLO C=CC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661732222 411861419 /nfs/dbraw/zinc/86/14/19/411861419.db2.gz UAFHGZFKSRTFBR-ZDUSSCGKSA-N 1 2 221.275 2.385 20 30 BEEDLO C=CC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661732222 411861421 /nfs/dbraw/zinc/86/14/21/411861421.db2.gz UAFHGZFKSRTFBR-ZDUSSCGKSA-N 1 2 221.275 2.385 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000662097187 411984606 /nfs/dbraw/zinc/98/46/06/411984606.db2.gz NZMZLKWZLYWKPU-GFCCVEGCSA-N 1 2 245.322 2.389 20 30 BEEDLO CCC#C[C@@H](C)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000662097187 411984612 /nfs/dbraw/zinc/98/46/12/411984612.db2.gz NZMZLKWZLYWKPU-GFCCVEGCSA-N 1 2 245.322 2.389 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]cn1 ZINC000664571795 411989193 /nfs/dbraw/zinc/98/91/93/411989193.db2.gz IZWNMZMFOKYQRI-TXEJJXNPSA-N 1 2 215.300 2.472 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000160758059 171088628 /nfs/dbraw/zinc/08/86/28/171088628.db2.gz GMLOPOKJZCHRRK-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCO1 ZINC000160758059 171088631 /nfs/dbraw/zinc/08/86/31/171088631.db2.gz GMLOPOKJZCHRRK-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000125590403 171089333 /nfs/dbraw/zinc/08/93/33/171089333.db2.gz ZHCXFTWIQXMCFC-SNVBAGLBSA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000125590403 171089335 /nfs/dbraw/zinc/08/93/35/171089335.db2.gz ZHCXFTWIQXMCFC-SNVBAGLBSA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@@H]1COCC[N@@H+]1Cc1ccccc1C#N ZINC000036326348 171105157 /nfs/dbraw/zinc/10/51/57/171105157.db2.gz MPCSSOFDRRFJAY-CQSZACIVSA-N 1 2 230.311 2.169 20 30 BEEDLO CC[C@@H]1COCC[N@H+]1Cc1ccccc1C#N ZINC000036326348 171105158 /nfs/dbraw/zinc/10/51/58/171105158.db2.gz MPCSSOFDRRFJAY-CQSZACIVSA-N 1 2 230.311 2.169 20 30 BEEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000271032094 171110464 /nfs/dbraw/zinc/11/04/64/171110464.db2.gz ZMGMWADJUNMRGP-WDEREUQCSA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#N)o1 ZINC000271032094 171110467 /nfs/dbraw/zinc/11/04/67/171110467.db2.gz ZMGMWADJUNMRGP-WDEREUQCSA-N 1 2 234.299 2.151 20 30 BEEDLO COc1ccccc1CC[N@H+](C)CCC#N ZINC000049816916 175322711 /nfs/dbraw/zinc/32/27/11/175322711.db2.gz XDLMNZXNIHIXAU-UHFFFAOYSA-N 1 2 218.300 2.083 20 30 BEEDLO COc1ccccc1CC[N@@H+](C)CCC#N ZINC000049816916 175322712 /nfs/dbraw/zinc/32/27/12/175322712.db2.gz XDLMNZXNIHIXAU-UHFFFAOYSA-N 1 2 218.300 2.083 20 30 BEEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000178814071 176282908 /nfs/dbraw/zinc/28/29/08/176282908.db2.gz VTVJNCIQHAVBPI-GFCCVEGCSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000178814071 176282909 /nfs/dbraw/zinc/28/29/09/176282909.db2.gz VTVJNCIQHAVBPI-GFCCVEGCSA-N 1 2 249.741 2.412 20 30 BEEDLO C=CC[C@H]([NH2+]CCSC(C)C)C(=O)OCC ZINC001652377296 1173073335 /nfs/dbraw/zinc/07/33/35/1173073335.db2.gz BPKHVSFBGGPVFM-NSHDSACASA-N 1 2 245.388 2.225 20 30 BEEDLO C[C@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000082687933 177076297 /nfs/dbraw/zinc/07/62/97/177076297.db2.gz UVQVVZCMXWWHTC-VIFPVBQESA-N 1 2 221.329 2.389 20 30 BEEDLO C[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000082687933 177076298 /nfs/dbraw/zinc/07/62/98/177076298.db2.gz UVQVVZCMXWWHTC-VIFPVBQESA-N 1 2 221.329 2.389 20 30 BEEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000178814082 177241935 /nfs/dbraw/zinc/24/19/35/177241935.db2.gz VTVJNCIQHAVBPI-LBPRGKRZSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC000178814082 177241936 /nfs/dbraw/zinc/24/19/36/177241936.db2.gz VTVJNCIQHAVBPI-LBPRGKRZSA-N 1 2 249.741 2.412 20 30 BEEDLO C#C[C@@H](C)[NH2+]Cc1c(Cl)ccnc1Cl ZINC001652432041 1173079616 /nfs/dbraw/zinc/07/96/16/1173079616.db2.gz BDFXYDFXIIMAPA-SSDOTTSWSA-N 1 2 229.110 2.500 20 30 BEEDLO Cc1cc(N[C@@H]2CC[C@H](C)C2)c(C#N)c[nH+]1 ZINC000399430004 262783823 /nfs/dbraw/zinc/78/38/23/262783823.db2.gz HURLIUKWWCVDGF-JOYOIKCWSA-N 1 2 215.300 2.284 20 30 BEEDLO CSC1(CNc2cc(C)[nH+]cc2C#N)CCC1 ZINC000399546266 262838648 /nfs/dbraw/zinc/83/86/48/262838648.db2.gz AVAGXVAIQNWNPE-UHFFFAOYSA-N 1 2 247.367 2.381 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459479925 262914708 /nfs/dbraw/zinc/91/47/08/262914708.db2.gz NFGAJOJSTUPIHP-LBPRGKRZSA-N 1 2 230.315 2.136 20 30 BEEDLO Cc1cc(NCC[C@H]2CCCCO2)c(C#N)c[nH+]1 ZINC000399501783 267299722 /nfs/dbraw/zinc/29/97/22/267299722.db2.gz JSQYHZZEBLKJHT-CYBMUJFWSA-N 1 2 245.326 2.055 20 30 BEEDLO Cc1cc(NC[C@@H]2CC2(C)C)c(C#N)c[nH+]1 ZINC000399461124 267300397 /nfs/dbraw/zinc/30/03/97/267300397.db2.gz PYRADSRVXRVFCA-NSHDSACASA-N 1 2 215.300 2.142 20 30 BEEDLO Cc1cc(N[C@@H]2CC23CCCC3)c(C#N)c[nH+]1 ZINC000399376224 267301512 /nfs/dbraw/zinc/30/15/12/267301512.db2.gz BKJHORUWVSLPSW-CYBMUJFWSA-N 1 2 227.311 2.428 20 30 BEEDLO C=C(C)CC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000681403878 487790974 /nfs/dbraw/zinc/79/09/74/487790974.db2.gz MFWNCAPVSAPYHS-VIFPVBQESA-N 1 2 223.238 2.216 20 30 BEEDLO C=C(C)CC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000681403878 487790980 /nfs/dbraw/zinc/79/09/80/487790980.db2.gz MFWNCAPVSAPYHS-VIFPVBQESA-N 1 2 223.238 2.216 20 30 BEEDLO C=CCCN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000682414577 487952548 /nfs/dbraw/zinc/95/25/48/487952548.db2.gz ALJVUWVXBFVIRP-UHFFFAOYSA-N 1 2 228.299 2.224 20 30 BEEDLO CN(CCC[NH+]1CC(C)(C#N)C1)c1ccccc1 ZINC000569937311 323044845 /nfs/dbraw/zinc/04/48/45/323044845.db2.gz JNLDHLBSMDMRAN-UHFFFAOYSA-N 1 2 243.354 2.358 20 30 BEEDLO CC#CCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000154865052 323059214 /nfs/dbraw/zinc/05/92/14/323059214.db2.gz AHJWDYIHEQTKNY-UHFFFAOYSA-N 1 2 238.237 2.015 20 30 BEEDLO N#Cc1ccc(F)cc1C[NH+]1CCSCC1 ZINC000158507480 323073166 /nfs/dbraw/zinc/07/31/66/323073166.db2.gz ORDWEPUZUUSBCW-UHFFFAOYSA-N 1 2 236.315 2.246 20 30 BEEDLO C#CC[N@@H+](CC#CC)C[C@H](C)C(F)(F)F ZINC000490839111 323075588 /nfs/dbraw/zinc/07/55/88/323075588.db2.gz GISVMZBGWIFAPT-JTQLQIEISA-N 1 2 217.234 2.143 20 30 BEEDLO C#CC[N@H+](CC#CC)C[C@H](C)C(F)(F)F ZINC000490839111 323075589 /nfs/dbraw/zinc/07/55/89/323075589.db2.gz GISVMZBGWIFAPT-JTQLQIEISA-N 1 2 217.234 2.143 20 30 BEEDLO C=CCCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000563383185 323122040 /nfs/dbraw/zinc/12/20/40/323122040.db2.gz KQZHSMNLYYFTSA-LLVKDONJSA-N 1 2 235.331 2.013 20 30 BEEDLO C=CCCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000563383185 323122041 /nfs/dbraw/zinc/12/20/41/323122041.db2.gz KQZHSMNLYYFTSA-LLVKDONJSA-N 1 2 235.331 2.013 20 30 BEEDLO C=CC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000542020285 323186467 /nfs/dbraw/zinc/18/64/67/323186467.db2.gz ZBSLVJFEPCMIPM-JTQLQIEISA-N 1 2 231.343 2.462 20 30 BEEDLO CCn1cc[nH+]c1CN(CCC#N)C(C)C ZINC000535785588 323191418 /nfs/dbraw/zinc/19/14/18/323191418.db2.gz ISFMFDNJNGIXQR-UHFFFAOYSA-N 1 2 220.320 2.027 20 30 BEEDLO CCC#C[C@@H](C)[N@H+](C)Cc1cc(C)on1 ZINC000677047802 487957531 /nfs/dbraw/zinc/95/75/31/487957531.db2.gz HWPNSIAXUUDBKU-SNVBAGLBSA-N 1 2 206.289 2.217 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1cc(C)on1 ZINC000677047802 487957534 /nfs/dbraw/zinc/95/75/34/487957534.db2.gz HWPNSIAXUUDBKU-SNVBAGLBSA-N 1 2 206.289 2.217 20 30 BEEDLO CC#CC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000076148193 487958938 /nfs/dbraw/zinc/95/89/38/487958938.db2.gz IJYUQPRKLUJSNO-DZGCQCFKSA-N 1 2 229.323 2.472 20 30 BEEDLO CC#CC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000076148193 487958941 /nfs/dbraw/zinc/95/89/41/487958941.db2.gz IJYUQPRKLUJSNO-DZGCQCFKSA-N 1 2 229.323 2.472 20 30 BEEDLO N#C[C@@H]1CC[C@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000572477299 324120894 /nfs/dbraw/zinc/12/08/94/324120894.db2.gz GFCARIXQDQOUFS-KOLCDFICSA-N 1 2 243.314 2.155 20 30 BEEDLO N#C[C@@H]1CC[C@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000572477299 324120901 /nfs/dbraw/zinc/12/09/01/324120901.db2.gz GFCARIXQDQOUFS-KOLCDFICSA-N 1 2 243.314 2.155 20 30 BEEDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)o1 ZINC000542618066 325037223 /nfs/dbraw/zinc/03/72/23/325037223.db2.gz IFXBFGHGSAOBNF-SECBINFHSA-N 1 2 242.282 2.101 20 30 BEEDLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)o1 ZINC000543544194 325093008 /nfs/dbraw/zinc/09/30/08/325093008.db2.gz WSMZRZRYDPXIBG-SECBINFHSA-N 1 2 242.282 2.101 20 30 BEEDLO COC(=O)[C@@H]([NH2+]CCCC#N)C1CCCCC1 ZINC000544516338 325145689 /nfs/dbraw/zinc/14/56/89/325145689.db2.gz BQWSALPVKVFTPC-LBPRGKRZSA-N 1 2 238.331 2.002 20 30 BEEDLO COC(=O)[C@H]([NH2+]CCCC#N)C1CCCCC1 ZINC000544516337 325145975 /nfs/dbraw/zinc/14/59/75/325145975.db2.gz BQWSALPVKVFTPC-GFCCVEGCSA-N 1 2 238.331 2.002 20 30 BEEDLO Cn1cccc1CNc1cc(CC#N)cc[nH+]1 ZINC000545219695 325195559 /nfs/dbraw/zinc/19/55/59/325195559.db2.gz BOZDXXXNYMYACU-UHFFFAOYSA-N 1 2 226.283 2.098 20 30 BEEDLO Cc1c[nH+]c(C)nc1N1CCC(CC#N)CC1 ZINC000566485038 326056741 /nfs/dbraw/zinc/05/67/41/326056741.db2.gz WXTDTGXNTZZZDZ-UHFFFAOYSA-N 1 2 230.315 2.224 20 30 BEEDLO CC#CC[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000154019025 326125566 /nfs/dbraw/zinc/12/55/66/326125566.db2.gz UQFNGOPXIBBTSH-UHFFFAOYSA-N 1 2 225.332 2.062 20 30 BEEDLO CC#CC[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000154019025 326125568 /nfs/dbraw/zinc/12/55/68/326125568.db2.gz UQFNGOPXIBBTSH-UHFFFAOYSA-N 1 2 225.332 2.062 20 30 BEEDLO COc1ccc[nH+]c1N[C@H]1CC[C@@H](C#N)C1 ZINC000309869287 326173188 /nfs/dbraw/zinc/17/31/88/326173188.db2.gz PXSJGBGHKZZZKP-ZJUUUORDSA-N 1 2 217.272 2.194 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(F)cc1C#N ZINC000568181635 326321561 /nfs/dbraw/zinc/32/15/61/326321561.db2.gz YXZZJEDABXKXAF-ZDUSSCGKSA-N 1 2 231.274 2.479 20 30 BEEDLO C=CC(C)(C)CNc1nc(N)c2ccccc2[nH+]1 ZINC000572931036 326419448 /nfs/dbraw/zinc/41/94/48/326419448.db2.gz YNQJLQMCOGDTGB-UHFFFAOYSA-N 1 2 242.326 2.088 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000677133266 487980336 /nfs/dbraw/zinc/98/03/36/487980336.db2.gz PJPSXDJXQVYXLY-OLZOCXBDSA-N 1 2 231.343 2.391 20 30 BEEDLO CCC#C[C@@H](C)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000677133266 487980340 /nfs/dbraw/zinc/98/03/40/487980340.db2.gz PJPSXDJXQVYXLY-OLZOCXBDSA-N 1 2 231.343 2.391 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000677133267 487980410 /nfs/dbraw/zinc/98/04/10/487980410.db2.gz PJPSXDJXQVYXLY-QWHCGFSZSA-N 1 2 231.343 2.391 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000677133267 487980416 /nfs/dbraw/zinc/98/04/16/487980416.db2.gz PJPSXDJXQVYXLY-QWHCGFSZSA-N 1 2 231.343 2.391 20 30 BEEDLO C=CCCOCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000677425890 488033440 /nfs/dbraw/zinc/03/34/40/488033440.db2.gz PIXSKHZZFODRPG-UHFFFAOYSA-N 1 2 245.326 2.245 20 30 BEEDLO COCC#CC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000683028387 488100196 /nfs/dbraw/zinc/10/01/96/488100196.db2.gz PVRZONBCDXTYKR-UHFFFAOYSA-N 1 2 249.741 2.348 20 30 BEEDLO COCC#CC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000683028387 488100199 /nfs/dbraw/zinc/10/01/99/488100199.db2.gz PVRZONBCDXTYKR-UHFFFAOYSA-N 1 2 249.741 2.348 20 30 BEEDLO C#CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117352824 487537835 /nfs/dbraw/zinc/53/78/35/487537835.db2.gz CFXPCKWVSWVVIZ-UHFFFAOYSA-N 1 2 245.166 2.436 20 30 BEEDLO C#CC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117352824 487537840 /nfs/dbraw/zinc/53/78/40/487537840.db2.gz CFXPCKWVSWVVIZ-UHFFFAOYSA-N 1 2 245.166 2.436 20 30 BEEDLO COCC#CC[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000677817212 488130409 /nfs/dbraw/zinc/13/04/09/488130409.db2.gz IYDQNOZNLRTNET-GFCCVEGCSA-N 1 2 247.313 2.395 20 30 BEEDLO COCC#CC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000677817212 488130416 /nfs/dbraw/zinc/13/04/16/488130416.db2.gz IYDQNOZNLRTNET-GFCCVEGCSA-N 1 2 247.313 2.395 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662230091 487475385 /nfs/dbraw/zinc/47/53/85/487475385.db2.gz RHSASVLXCGCUFC-WDEREUQCSA-N 1 2 249.276 2.442 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662230091 487475390 /nfs/dbraw/zinc/47/53/90/487475390.db2.gz RHSASVLXCGCUFC-WDEREUQCSA-N 1 2 249.276 2.442 20 30 BEEDLO C[N@H+](CC#Cc1ccc(F)cc1)Cc1cn[nH]c1 ZINC000676705323 487895534 /nfs/dbraw/zinc/89/55/34/487895534.db2.gz XGFOLPJQKGYXPL-UHFFFAOYSA-N 1 2 243.285 2.032 20 30 BEEDLO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cn[nH]c1 ZINC000676705323 487895541 /nfs/dbraw/zinc/89/55/41/487895541.db2.gz XGFOLPJQKGYXPL-UHFFFAOYSA-N 1 2 243.285 2.032 20 30 BEEDLO C=CCOCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000672764076 488265823 /nfs/dbraw/zinc/26/58/23/488265823.db2.gz CLWAPCPDAIZELJ-UHFFFAOYSA-N 1 2 249.314 2.023 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(CC)[nH+]cn1 ZINC000684764752 488340591 /nfs/dbraw/zinc/34/05/91/488340591.db2.gz RYFFSBFVNKZHNL-RISCZKNCSA-N 1 2 247.342 2.432 20 30 BEEDLO COC(=O)[C@H]1CCC[C@@H]([NH2+]C(C)(C)C#N)CC1 ZINC001172768708 974937313 /nfs/dbraw/zinc/93/73/13/974937313.db2.gz WPCAPTBQVBZZQM-WDEREUQCSA-N 1 2 238.331 2.000 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ncc(C)s1 ZINC000295465726 535725678 /nfs/dbraw/zinc/72/56/78/535725678.db2.gz RDVAIKOXUDOLEP-VIFPVBQESA-N 1 2 209.318 2.233 20 30 BEEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC1(C#N)CCC1 ZINC000336197396 535850836 /nfs/dbraw/zinc/85/08/36/535850836.db2.gz BZLHYQOSJYKOTQ-VXGBXAGGSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC1(C#N)CCC1 ZINC000336197396 535850844 /nfs/dbraw/zinc/85/08/44/535850844.db2.gz BZLHYQOSJYKOTQ-VXGBXAGGSA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@@H]1OCC[N@H+](Cc2csc(C#N)c2)[C@H]1C ZINC000892048034 582773526 /nfs/dbraw/zinc/77/35/26/582773526.db2.gz GGYKKOYHHBRFJJ-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1OCC[N@@H+](Cc2csc(C#N)c2)[C@H]1C ZINC000892048034 582773529 /nfs/dbraw/zinc/77/35/29/582773529.db2.gz GGYKKOYHHBRFJJ-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1csc(C#N)c1 ZINC000892068302 582783517 /nfs/dbraw/zinc/78/35/17/582783517.db2.gz KGOROFSXZUTGCD-UHFFFAOYSA-N 1 2 228.320 2.078 20 30 BEEDLO C=C(CC)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000358498712 534369998 /nfs/dbraw/zinc/36/99/98/534369998.db2.gz MDPZDZOHENDGKP-UHFFFAOYSA-N 1 2 213.321 2.226 20 30 BEEDLO C=C(CC)C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000358498712 534370002 /nfs/dbraw/zinc/37/00/02/534370002.db2.gz MDPZDZOHENDGKP-UHFFFAOYSA-N 1 2 213.321 2.226 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000369135192 534441879 /nfs/dbraw/zinc/44/18/79/534441879.db2.gz TWUMAWUVHPYLOC-LLVKDONJSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000369135192 534441891 /nfs/dbraw/zinc/44/18/91/534441891.db2.gz TWUMAWUVHPYLOC-LLVKDONJSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000366567325 534443096 /nfs/dbraw/zinc/44/30/96/534443096.db2.gz CEXISCQJOBTUNS-RYUDHWBXSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000366567325 534443106 /nfs/dbraw/zinc/44/31/06/534443106.db2.gz CEXISCQJOBTUNS-RYUDHWBXSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000329378085 534462412 /nfs/dbraw/zinc/46/24/12/534462412.db2.gz MKCNSGAWLBRTQQ-CQSZACIVSA-N 1 2 247.342 2.287 20 30 BEEDLO C=CCC1(C(=O)NCc2[nH]c[nH+]c2C)CCC1 ZINC000331948153 534589785 /nfs/dbraw/zinc/58/97/85/534589785.db2.gz IIQGLYGDMNYXAZ-UHFFFAOYSA-N 1 2 233.315 2.081 20 30 BEEDLO C=CCCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125703620 534608817 /nfs/dbraw/zinc/60/88/17/534608817.db2.gz KDVYRRQCBMUACP-OLZOCXBDSA-N 1 2 247.342 2.259 20 30 BEEDLO C=CCCC1(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000355991763 534632637 /nfs/dbraw/zinc/63/26/37/534632637.db2.gz ULAKFRXELZUMED-UHFFFAOYSA-N 1 2 230.311 2.497 20 30 BEEDLO C=C[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000120807325 534654297 /nfs/dbraw/zinc/65/42/97/534654297.db2.gz FFSNVRKKFBBOMR-VIFPVBQESA-N 1 2 205.261 2.086 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000355764578 534747143 /nfs/dbraw/zinc/74/71/43/534747143.db2.gz HQCKVHVZLXTVRB-LLVKDONJSA-N 1 2 235.331 2.203 20 30 BEEDLO C=CC[NH+](CC=C)CC(=O)c1cc(C)[nH]c1C ZINC000347987135 534828296 /nfs/dbraw/zinc/82/82/96/534828296.db2.gz DKFWEZOKTPZMCT-UHFFFAOYSA-N 1 2 232.327 2.488 20 30 BEEDLO C=CC[N@@H+](Cc1ccn(C(F)F)n1)C1CC1 ZINC000350259617 534841619 /nfs/dbraw/zinc/84/16/19/534841619.db2.gz DHLQPVWUOOTZOY-UHFFFAOYSA-N 1 2 227.258 2.429 20 30 BEEDLO C=CC[N@H+](Cc1ccn(C(F)F)n1)C1CC1 ZINC000350259617 534841622 /nfs/dbraw/zinc/84/16/22/534841622.db2.gz DHLQPVWUOOTZOY-UHFFFAOYSA-N 1 2 227.258 2.429 20 30 BEEDLO C=CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000335703616 534849960 /nfs/dbraw/zinc/84/99/60/534849960.db2.gz YZYDMGYSXVRUDX-AWEZNQCLSA-N 1 2 228.295 2.118 20 30 BEEDLO C=CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000335703616 534849963 /nfs/dbraw/zinc/84/99/63/534849963.db2.gz YZYDMGYSXVRUDX-AWEZNQCLSA-N 1 2 228.295 2.118 20 30 BEEDLO CCC[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000336549376 534914275 /nfs/dbraw/zinc/91/42/75/534914275.db2.gz OSGRFGYNMRBJRF-QWHCGFSZSA-N 1 2 222.332 2.324 20 30 BEEDLO CCC[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000336549376 534914279 /nfs/dbraw/zinc/91/42/79/534914279.db2.gz OSGRFGYNMRBJRF-QWHCGFSZSA-N 1 2 222.332 2.324 20 30 BEEDLO C=C(C)CCNc1nc[nH+]c(N)c1Cl ZINC000306716747 526456911 /nfs/dbraw/zinc/45/69/11/526456911.db2.gz GLHIWZDFUUQQRE-UHFFFAOYSA-N 1 2 212.684 2.090 20 30 BEEDLO C=C(C)CCNc1[nH+]cnc(N)c1Cl ZINC000306716747 526456915 /nfs/dbraw/zinc/45/69/15/526456915.db2.gz GLHIWZDFUUQQRE-UHFFFAOYSA-N 1 2 212.684 2.090 20 30 BEEDLO C#CC[N@@H+](Cc1nnc(C(C)C)[nH]1)C1CCCC1 ZINC000491772954 526912000 /nfs/dbraw/zinc/91/20/00/526912000.db2.gz RMRWBIKAKLOVIW-UHFFFAOYSA-N 1 2 246.358 2.306 20 30 BEEDLO C#CC[N@H+](Cc1nnc(C(C)C)[nH]1)C1CCCC1 ZINC000491772954 526912006 /nfs/dbraw/zinc/91/20/06/526912006.db2.gz RMRWBIKAKLOVIW-UHFFFAOYSA-N 1 2 246.358 2.306 20 30 BEEDLO C#CC[N@@H+](Cc1csc(C(=O)OC)c1)C1CC1 ZINC000491668648 526912154 /nfs/dbraw/zinc/91/21/54/526912154.db2.gz ZRPRDOCQEDIFRV-UHFFFAOYSA-N 1 2 249.335 2.132 20 30 BEEDLO C#CC[N@H+](Cc1csc(C(=O)OC)c1)C1CC1 ZINC000491668648 526912156 /nfs/dbraw/zinc/91/21/56/526912156.db2.gz ZRPRDOCQEDIFRV-UHFFFAOYSA-N 1 2 249.335 2.132 20 30 BEEDLO C=CC[C@H](CC)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492587837 527142506 /nfs/dbraw/zinc/14/25/06/527142506.db2.gz BSRWSKAEWQETNY-BCPZQOPPSA-N 1 2 247.342 2.387 20 30 BEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000491714385 527331473 /nfs/dbraw/zinc/33/14/73/527331473.db2.gz MPCZLUDJBYAZMU-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000491714385 527331481 /nfs/dbraw/zinc/33/14/81/527331481.db2.gz MPCZLUDJBYAZMU-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(C)nc1Cl ZINC000491639390 527332896 /nfs/dbraw/zinc/33/28/96/527332896.db2.gz YZORHVCCHRDHIN-JTQLQIEISA-N 1 2 222.719 2.497 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(C)nc1Cl ZINC000491639390 527332899 /nfs/dbraw/zinc/33/28/99/527332899.db2.gz YZORHVCCHRDHIN-JTQLQIEISA-N 1 2 222.719 2.497 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nccn1-c1ccccc1 ZINC000491773055 527334449 /nfs/dbraw/zinc/33/44/49/527334449.db2.gz BITFNPCTVGMGNQ-ZDUSSCGKSA-N 1 2 239.322 2.326 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nccn1-c1ccccc1 ZINC000491773055 527334450 /nfs/dbraw/zinc/33/44/50/527334450.db2.gz BITFNPCTVGMGNQ-ZDUSSCGKSA-N 1 2 239.322 2.326 20 30 BEEDLO CC(C)(C#N)CCC[N@H+](CC#N)C1CC1 ZINC000331752492 534980075 /nfs/dbraw/zinc/98/00/75/534980075.db2.gz KRWRCRXHJKOVDO-UHFFFAOYSA-N 1 2 205.305 2.304 20 30 BEEDLO CC(C)(C#N)CCC[N@@H+](CC#N)C1CC1 ZINC000331752492 534980080 /nfs/dbraw/zinc/98/00/80/534980080.db2.gz KRWRCRXHJKOVDO-UHFFFAOYSA-N 1 2 205.305 2.304 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000054183899 535726392 /nfs/dbraw/zinc/72/63/92/535726392.db2.gz IRELZKHBTLGEHY-VIFPVBQESA-N 1 2 239.300 2.438 20 30 BEEDLO CC[C@@H](CC#N)Nc1[nH+]cnc2[nH]ccc21 ZINC000273817775 535727378 /nfs/dbraw/zinc/72/73/78/535727378.db2.gz CGCCYHMUZDRNHT-QMMMGPOBSA-N 1 2 215.260 2.062 20 30 BEEDLO CC[N@@H+](Cc1ccc(OC)nc1)C[C@H](C)C#N ZINC000362836319 535784808 /nfs/dbraw/zinc/78/48/08/535784808.db2.gz FYGSJMVOXGAKKK-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO CC[N@H+](Cc1ccc(OC)nc1)C[C@H](C)C#N ZINC000362836319 535784810 /nfs/dbraw/zinc/78/48/10/535784810.db2.gz FYGSJMVOXGAKKK-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO CC[C@@H]1COCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223541535 535835419 /nfs/dbraw/zinc/83/54/19/535835419.db2.gz ALSFVEGFGRWPQZ-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H]1COCC[N@H+]1Cc1cccc(C#N)c1F ZINC000223541535 535835424 /nfs/dbraw/zinc/83/54/24/535835424.db2.gz ALSFVEGFGRWPQZ-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cccc2c1OCO2 ZINC000040667392 536057670 /nfs/dbraw/zinc/05/76/70/536057670.db2.gz FJMREVQWGPZPRJ-LLVKDONJSA-N 1 2 232.283 2.197 20 30 BEEDLO C[N@H+](CCC#N)Cc1ccc(F)c(F)c1 ZINC000052869515 536299581 /nfs/dbraw/zinc/29/95/81/536299581.db2.gz ZTVIWMRZJHHOOS-UHFFFAOYSA-N 1 2 210.227 2.310 20 30 BEEDLO C[N@@H+](CCC#N)Cc1ccc(F)c(F)c1 ZINC000052869515 536299586 /nfs/dbraw/zinc/29/95/86/536299586.db2.gz ZTVIWMRZJHHOOS-UHFFFAOYSA-N 1 2 210.227 2.310 20 30 BEEDLO C[N@H+](CCC#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296487802 536300422 /nfs/dbraw/zinc/30/04/22/536300422.db2.gz YRZIMIFEJAWHQY-LBPRGKRZSA-N 1 2 238.718 2.219 20 30 BEEDLO C[N@@H+](CCC#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296487802 536300425 /nfs/dbraw/zinc/30/04/25/536300425.db2.gz YRZIMIFEJAWHQY-LBPRGKRZSA-N 1 2 238.718 2.219 20 30 BEEDLO C#CCN(C)c1cc(C)[nH+]c(C2CCC2)n1 ZINC000893444434 583145183 /nfs/dbraw/zinc/14/51/83/583145183.db2.gz XFIKKZSYBUOBMG-UHFFFAOYSA-N 1 2 215.300 2.122 20 30 BEEDLO CC(C)n1cc[nH+]c1CN=Nc1ccccn1 ZINC000853269647 588730415 /nfs/dbraw/zinc/73/04/15/588730415.db2.gz XVZVLMQPNYWLLW-UHFFFAOYSA-N 1 2 229.287 2.305 20 30 BEEDLO C(=NOCc1ccccc1)c1c[nH+]c2n1CCC2 ZINC000853287414 588730668 /nfs/dbraw/zinc/73/06/68/588730668.db2.gz WUFUYIKWAHOOCT-UHFFFAOYSA-N 1 2 241.294 2.380 20 30 BEEDLO CCC(CC)CNN=Cc1c[nH+]c2n1CCC2 ZINC000853334472 588734305 /nfs/dbraw/zinc/73/43/05/588734305.db2.gz GNKAWMZZYZXVSP-UHFFFAOYSA-N 1 2 234.347 2.189 20 30 BEEDLO Cc1[nH+]cc(C=NOC2CCCCC2)n1C ZINC000853335664 588734617 /nfs/dbraw/zinc/73/46/17/588734617.db2.gz ZWUCGXRVCBFYPO-UHFFFAOYSA-N 1 2 221.304 2.412 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1NCC[C@@H](C)O ZINC000853336467 588734832 /nfs/dbraw/zinc/73/48/32/588734832.db2.gz AKRVWVKFYDDINK-GFCCVEGCSA-N 1 2 248.326 2.057 20 30 BEEDLO Cc1[nH+]cc(C=NN[C@H]2CCCC2(C)C)n1C ZINC000853340698 588735193 /nfs/dbraw/zinc/73/51/93/588735193.db2.gz FWSGRRYYXXLWRD-LBPRGKRZSA-N 1 2 234.347 2.231 20 30 BEEDLO CC1(C)CCC[C@@H]1NN=Cc1c[nH+]c2n1CCC2 ZINC000853342067 588735457 /nfs/dbraw/zinc/73/54/57/588735457.db2.gz ZIPKEHXAPGNPDJ-LBPRGKRZSA-N 1 2 246.358 2.332 20 30 BEEDLO C[C@H](NN=Cc1c[nH+]c2n1CCC2)C(C)(C)C ZINC000853348314 588736400 /nfs/dbraw/zinc/73/64/00/588736400.db2.gz GYHNWJANRQUSDN-JTQLQIEISA-N 1 2 234.347 2.187 20 30 BEEDLO Cc1[nH+]cc(C=NNCc2ccc(C)cc2)n1C ZINC000853354994 588737509 /nfs/dbraw/zinc/73/75/09/588737509.db2.gz ZWGDGFNIEBXLTB-UHFFFAOYSA-N 1 2 242.326 2.161 20 30 BEEDLO C[C@@H]1CCCCN1N=Cc1c[nH+]c2n1CCC2 ZINC000853384794 588740226 /nfs/dbraw/zinc/74/02/26/588740226.db2.gz NQESMNXAYOVWLO-LLVKDONJSA-N 1 2 232.331 2.038 20 30 BEEDLO CC(CC(C)(C)C#N)=NNCCCn1cc[nH+]c1 ZINC000853372545 588738724 /nfs/dbraw/zinc/73/87/24/588738724.db2.gz PKZWPAOODDIKQZ-UHFFFAOYSA-N 1 2 247.346 2.179 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](CC)CO ZINC000853510185 588747051 /nfs/dbraw/zinc/74/70/51/588747051.db2.gz ITPGJQXYILXHME-LBPRGKRZSA-N 1 2 248.326 2.057 20 30 BEEDLO N#CCC1(CO[NH+]=C(N)c2ccc(F)cc2)CC1 ZINC000853646397 588752005 /nfs/dbraw/zinc/75/20/05/588752005.db2.gz RPUBZZITUJEUFD-UHFFFAOYSA-N 1 2 247.273 2.156 20 30 BEEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(C)C)cc1 ZINC000853654915 588752457 /nfs/dbraw/zinc/75/24/57/588752457.db2.gz YQSUCNKUVCLOAS-JTQLQIEISA-N 1 2 236.315 2.377 20 30 BEEDLO C#CCCCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000854100716 588774728 /nfs/dbraw/zinc/77/47/28/588774728.db2.gz JCHUZBFJQHHBIK-UHFFFAOYSA-N 1 2 241.294 2.320 20 30 BEEDLO C=CCCC(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000890855673 582581619 /nfs/dbraw/zinc/58/16/19/582581619.db2.gz WAGMBYYKJVCMDY-UHFFFAOYSA-N 1 2 243.310 2.225 20 30 BEEDLO CC[C@H](CC#N)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845528637 582613131 /nfs/dbraw/zinc/61/31/31/582613131.db2.gz KHDKNULTIXKFJT-GHMZBOCLSA-N 1 2 235.287 2.070 20 30 BEEDLO N#CCSCCC[N@@H+](CC(F)F)C1CC1 ZINC000074990470 582684613 /nfs/dbraw/zinc/68/46/13/582684613.db2.gz ULLMZCLKUAGCEI-UHFFFAOYSA-N 1 2 234.315 2.363 20 30 BEEDLO N#CCSCCC[N@H+](CC(F)F)C1CC1 ZINC000074990470 582684616 /nfs/dbraw/zinc/68/46/16/582684616.db2.gz ULLMZCLKUAGCEI-UHFFFAOYSA-N 1 2 234.315 2.363 20 30 BEEDLO C=CC[NH+](CC=C)Cc1c2c(nn1C)CCC2 ZINC000891449368 582688702 /nfs/dbraw/zinc/68/87/02/582688702.db2.gz VWPSFPUSJCLZOQ-UHFFFAOYSA-N 1 2 231.343 2.083 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnn(C)c1C1CC1 ZINC000891578358 582699159 /nfs/dbraw/zinc/69/91/59/582699159.db2.gz LGZPQPUJJJRQTM-UHFFFAOYSA-N 1 2 232.331 2.033 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnn(C)c1C1CC1 ZINC000891578358 582699161 /nfs/dbraw/zinc/69/91/61/582699161.db2.gz LGZPQPUJJJRQTM-UHFFFAOYSA-N 1 2 232.331 2.033 20 30 BEEDLO CC[C@@H]1COCC[N@H+]1Cc1csc(C#N)c1 ZINC000891716120 582712989 /nfs/dbraw/zinc/71/29/89/582712989.db2.gz LWSQGKVNDUGVGN-LLVKDONJSA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@@H]1COCC[N@@H+]1Cc1csc(C#N)c1 ZINC000891716120 582712988 /nfs/dbraw/zinc/71/29/88/582712988.db2.gz LWSQGKVNDUGVGN-LLVKDONJSA-N 1 2 236.340 2.231 20 30 BEEDLO Cc1cc(F)ncc1C[N@@H+](C)C[C@H](C)C#N ZINC000891716362 582713270 /nfs/dbraw/zinc/71/32/70/582713270.db2.gz PGWULWFSTRGVHB-SECBINFHSA-N 1 2 221.279 2.121 20 30 BEEDLO Cc1cc(F)ncc1C[N@H+](C)C[C@H](C)C#N ZINC000891716362 582713271 /nfs/dbraw/zinc/71/32/71/582713271.db2.gz PGWULWFSTRGVHB-SECBINFHSA-N 1 2 221.279 2.121 20 30 BEEDLO N#CCN(Cc1[nH+]ccc2c1CCCC2)C1CC1 ZINC000891795158 582721668 /nfs/dbraw/zinc/72/16/68/582721668.db2.gz CGDVGEXXKKBPOM-UHFFFAOYSA-N 1 2 241.338 2.448 20 30 BEEDLO C[N@H+](Cc1csc(C#N)c1)Cc1cnccn1 ZINC000891823649 582726393 /nfs/dbraw/zinc/72/63/93/582726393.db2.gz XGXNBJUGGHAMEZ-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C[N@@H+](Cc1csc(C#N)c1)Cc1cnccn1 ZINC000891823649 582726394 /nfs/dbraw/zinc/72/63/94/582726394.db2.gz XGXNBJUGGHAMEZ-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000891935275 582740459 /nfs/dbraw/zinc/74/04/59/582740459.db2.gz ZTJRBNBZTRNCOR-GFCCVEGCSA-N 1 2 246.358 2.417 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000891935275 582740461 /nfs/dbraw/zinc/74/04/61/582740461.db2.gz ZTJRBNBZTRNCOR-GFCCVEGCSA-N 1 2 246.358 2.417 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1csc(C#N)c1 ZINC000892068302 582783515 /nfs/dbraw/zinc/78/35/15/582783515.db2.gz KGOROFSXZUTGCD-UHFFFAOYSA-N 1 2 228.320 2.078 20 30 BEEDLO N#Cc1cc(C[N@@H+]2CCOC3(CCC3)C2)cs1 ZINC000892104862 582792311 /nfs/dbraw/zinc/79/23/11/582792311.db2.gz HIDNTYDLVSGBPZ-UHFFFAOYSA-N 1 2 248.351 2.375 20 30 BEEDLO N#Cc1cc(C[N@H+]2CCOC3(CCC3)C2)cs1 ZINC000892104862 582792313 /nfs/dbraw/zinc/79/23/13/582792313.db2.gz HIDNTYDLVSGBPZ-UHFFFAOYSA-N 1 2 248.351 2.375 20 30 BEEDLO C[C@@H](O)c1cccc(NCCCCC#N)[nH+]1 ZINC000892327744 582851041 /nfs/dbraw/zinc/85/10/41/582851041.db2.gz OWOAFJWNUHQULX-SNVBAGLBSA-N 1 2 219.288 2.241 20 30 BEEDLO C#C[C@@H](C)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893252190 583078568 /nfs/dbraw/zinc/07/85/68/583078568.db2.gz YALYDYYCJCMOTE-SECBINFHSA-N 1 2 215.300 2.486 20 30 BEEDLO C#CC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000856824138 588878995 /nfs/dbraw/zinc/87/89/95/588878995.db2.gz AUBGMALSORSFBO-JTQLQIEISA-N 1 2 201.260 2.423 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1csc(C#N)c1 ZINC000893550580 583162915 /nfs/dbraw/zinc/16/29/15/583162915.db2.gz FNYAOOLWXWPINN-UHFFFAOYSA-N 1 2 219.313 2.259 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnc2onc(C)c2c1 ZINC000893922719 583248410 /nfs/dbraw/zinc/24/84/10/583248410.db2.gz FUKGITQKGDQBCK-UHFFFAOYSA-N 1 2 244.298 2.267 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnc2onc(C)c2c1 ZINC000893922719 583248412 /nfs/dbraw/zinc/24/84/12/583248412.db2.gz FUKGITQKGDQBCK-UHFFFAOYSA-N 1 2 244.298 2.267 20 30 BEEDLO C=CC1CC[NH+](Cc2n[nH]c(C)c2C)CC1 ZINC000894021681 583274532 /nfs/dbraw/zinc/27/45/32/583274532.db2.gz XFOMWPQCIMPPEL-UHFFFAOYSA-N 1 2 219.332 2.425 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1c(Cl)n[nH]c1C1CC1 ZINC000894060741 583292922 /nfs/dbraw/zinc/29/29/22/583292922.db2.gz XJLMFEVUZLVDMN-QMMMGPOBSA-N 1 2 237.734 2.394 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1c(Cl)n[nH]c1C1CC1 ZINC000894060741 583292923 /nfs/dbraw/zinc/29/29/23/583292923.db2.gz XJLMFEVUZLVDMN-QMMMGPOBSA-N 1 2 237.734 2.394 20 30 BEEDLO Cc1cc[nH+]c(N)c1CN(C[C@H](C)C#N)C1CC1 ZINC000894085817 583296010 /nfs/dbraw/zinc/29/60/10/583296010.db2.gz UQTBDSLBGXNYSK-SNVBAGLBSA-N 1 2 244.342 2.096 20 30 BEEDLO C[C@H](O)c1cccc(NCC(C)(C)CC#N)[nH+]1 ZINC000894159715 583321142 /nfs/dbraw/zinc/32/11/42/583321142.db2.gz OSBUKWKDUDKNJI-JTQLQIEISA-N 1 2 233.315 2.487 20 30 BEEDLO CO[C@@H](C)CC/[NH+]=C/c1ccccc1O ZINC000726429863 583354444 /nfs/dbraw/zinc/35/44/44/583354444.db2.gz SREKCTFFVROOKX-YWEFTTLKSA-N 1 2 207.273 2.236 20 30 BEEDLO C#CC[N@H+](Cc1cc(F)cc(F)c1O)C1CC1 ZINC000894469105 583467833 /nfs/dbraw/zinc/46/78/33/583467833.db2.gz CXKMEUGYTXHXQS-UHFFFAOYSA-N 1 2 237.249 2.268 20 30 BEEDLO Cn1ncc(C[N@H+](C)CC(C)(C)C#N)c1C1CC1 ZINC000894609733 583492119 /nfs/dbraw/zinc/49/21/19/583492119.db2.gz HBBPJOKEXRDHSX-UHFFFAOYSA-N 1 2 246.358 2.279 20 30 BEEDLO Cn1ncc(C[N@@H+](C)CC(C)(C)C#N)c1C1CC1 ZINC000894609733 583492120 /nfs/dbraw/zinc/49/21/20/583492120.db2.gz HBBPJOKEXRDHSX-UHFFFAOYSA-N 1 2 246.358 2.279 20 30 BEEDLO N#Cc1cc(C[NH+]2CC(C(F)F)C2)cs1 ZINC000894828565 583527030 /nfs/dbraw/zinc/52/70/30/583527030.db2.gz PWXZOAHJHPLUNM-UHFFFAOYSA-N 1 2 228.267 2.317 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)[C@H]1C ZINC000894860228 583533535 /nfs/dbraw/zinc/53/35/35/583533535.db2.gz FMNYDEOEGIRFHI-BDAKNGLRSA-N 1 2 235.718 2.447 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)[C@H]1C ZINC000894860228 583533536 /nfs/dbraw/zinc/53/35/36/583533536.db2.gz FMNYDEOEGIRFHI-BDAKNGLRSA-N 1 2 235.718 2.447 20 30 BEEDLO N#CC1(C[NH2+][C@@H]2CCc3cccnc32)CCC1 ZINC000895024386 583570538 /nfs/dbraw/zinc/57/05/38/583570538.db2.gz ABRJESLFMAAKEL-GFCCVEGCSA-N 1 2 227.311 2.352 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cnc1F ZINC000895451049 583676341 /nfs/dbraw/zinc/67/63/41/583676341.db2.gz SCUURLNHQNTNBZ-ZDUSSCGKSA-N 1 2 233.290 2.265 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cnc1F ZINC000895451049 583676342 /nfs/dbraw/zinc/67/63/42/583676342.db2.gz SCUURLNHQNTNBZ-ZDUSSCGKSA-N 1 2 233.290 2.265 20 30 BEEDLO C#CC[N@H+](Cc1csc(C#N)c1)C1CSC1 ZINC000895811029 583730395 /nfs/dbraw/zinc/73/03/95/583730395.db2.gz MRIDZSQQNLPQHQ-UHFFFAOYSA-N 1 2 248.376 2.170 20 30 BEEDLO C#CC[N@@H+](Cc1csc(C#N)c1)C1CSC1 ZINC000895811029 583730396 /nfs/dbraw/zinc/73/03/96/583730396.db2.gz MRIDZSQQNLPQHQ-UHFFFAOYSA-N 1 2 248.376 2.170 20 30 BEEDLO C=CC(C)(C)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000858000981 588930490 /nfs/dbraw/zinc/93/04/90/588930490.db2.gz PIYPMWYTUTWMAT-UHFFFAOYSA-N 1 2 245.326 2.361 20 30 BEEDLO COc1cncc(C[N@@H+]2CCC[C@H](C#N)C2)c1C ZINC000896500606 583807192 /nfs/dbraw/zinc/80/71/92/583807192.db2.gz IDPOEMNYJCIAQG-GFCCVEGCSA-N 1 2 245.326 2.134 20 30 BEEDLO COc1cncc(C[N@H+]2CCC[C@H](C#N)C2)c1C ZINC000896500606 583807195 /nfs/dbraw/zinc/80/71/95/583807195.db2.gz IDPOEMNYJCIAQG-GFCCVEGCSA-N 1 2 245.326 2.134 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000896500774 583807298 /nfs/dbraw/zinc/80/72/98/583807298.db2.gz KPUYSPMLAKCKAG-SNVBAGLBSA-N 1 2 233.290 2.143 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2cccc(F)c2N)C1 ZINC000896500774 583807301 /nfs/dbraw/zinc/80/73/01/583807301.db2.gz KPUYSPMLAKCKAG-SNVBAGLBSA-N 1 2 233.290 2.143 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2cnn3ccccc23)C1 ZINC000896505183 583808005 /nfs/dbraw/zinc/80/80/05/583808005.db2.gz ZDIICGZCFMOKQG-LBPRGKRZSA-N 1 2 240.310 2.070 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000896505183 583808006 /nfs/dbraw/zinc/80/80/06/583808006.db2.gz ZDIICGZCFMOKQG-LBPRGKRZSA-N 1 2 240.310 2.070 20 30 BEEDLO C=C[C@](C)(CC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896911493 583853139 /nfs/dbraw/zinc/85/31/39/583853139.db2.gz VYSRWRGEMVCGKS-CYBMUJFWSA-N 1 2 235.331 2.245 20 30 BEEDLO Cc1[nH+]cnc(NCc2nc(C#N)cs2)c1C ZINC000896925290 583858078 /nfs/dbraw/zinc/85/80/78/583858078.db2.gz FNWCAEZBXPRTGU-UHFFFAOYSA-N 1 2 245.311 2.034 20 30 BEEDLO C=CCN(C(=O)c1ccc2[nH+]ccn2c1)C(C)C ZINC000728465887 583881820 /nfs/dbraw/zinc/88/18/20/583881820.db2.gz RIHKDNAEGIIXIN-UHFFFAOYSA-N 1 2 243.310 2.371 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(C)cnc1Cl ZINC000897169017 583888393 /nfs/dbraw/zinc/88/83/93/583888393.db2.gz KBUJYHASLZTURW-UHFFFAOYSA-N 1 2 222.719 2.499 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(C)cnc1Cl ZINC000897169017 583888395 /nfs/dbraw/zinc/88/83/95/583888395.db2.gz KBUJYHASLZTURW-UHFFFAOYSA-N 1 2 222.719 2.499 20 30 BEEDLO C#CC[N@H+](Cc1nc2c(s1)CCC2)C(C)C ZINC000897171424 583889035 /nfs/dbraw/zinc/88/90/35/583889035.db2.gz YVHYDKNIIWYWET-UHFFFAOYSA-N 1 2 234.368 2.475 20 30 BEEDLO C#CC[N@@H+](Cc1nc2c(s1)CCC2)C(C)C ZINC000897171424 583889038 /nfs/dbraw/zinc/88/90/38/583889038.db2.gz YVHYDKNIIWYWET-UHFFFAOYSA-N 1 2 234.368 2.475 20 30 BEEDLO Cc1cc(N[C@@H]2C[C@H]3CCC[C@H]32)c(C#N)c[nH+]1 ZINC000897177473 583890568 /nfs/dbraw/zinc/89/05/68/583890568.db2.gz QFSHSJDMNDLOOW-MPKXVKKWSA-N 1 2 227.311 2.284 20 30 BEEDLO C#C[C@H]1CCCCN1c1ccc([C@@H](C)O)c[nH+]1 ZINC000897360218 583938458 /nfs/dbraw/zinc/93/84/58/583938458.db2.gz AWJZHMBMXWTKHF-YPMHNXCESA-N 1 2 230.311 2.127 20 30 BEEDLO C=C1CCC(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000897795220 584049235 /nfs/dbraw/zinc/04/92/35/584049235.db2.gz DDVIIQZZDYQQAC-UHFFFAOYSA-N 1 2 245.326 2.041 20 30 BEEDLO C=C1CCC(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000897795220 584049236 /nfs/dbraw/zinc/04/92/36/584049236.db2.gz DDVIIQZZDYQQAC-UHFFFAOYSA-N 1 2 245.326 2.041 20 30 BEEDLO C=CCNN=Cc1cc(C)[nH+]c2c1CCCC2 ZINC000901237473 584405660 /nfs/dbraw/zinc/40/56/60/584405660.db2.gz SROHGDUVEQLCAE-UHFFFAOYSA-N 1 2 229.327 2.378 20 30 BEEDLO C(=[NH+]n1nnc2c1CCCC2)C1CCCC1 ZINC000901330668 584424570 /nfs/dbraw/zinc/42/45/70/584424570.db2.gz AEGAVOCMOPTQBZ-UHFFFAOYSA-N 1 2 218.304 2.181 20 30 BEEDLO CC(C)C1(C=[NH+]n2nnc3c2CCCC3)CC1 ZINC000901329593 584424594 /nfs/dbraw/zinc/42/45/94/584424594.db2.gz XVJZTKNQLQPAEY-UHFFFAOYSA-N 1 2 232.331 2.427 20 30 BEEDLO C[C@@H]1CC[C@@H](C=[NH+]n2nnc3c2CCCC3)C1 ZINC000901331437 584425146 /nfs/dbraw/zinc/42/51/46/584425146.db2.gz NZDHVDWIJAROJW-GHMZBOCLSA-N 1 2 232.331 2.427 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNC1CCC(F)(F)CC1 ZINC000901341309 584428184 /nfs/dbraw/zinc/42/81/84/584428184.db2.gz ALDJXAHBBWJQJQ-UHFFFAOYSA-N 1 2 242.273 2.220 20 30 BEEDLO Cc1cc(C(=O)/C=C/c2[nH]c(C)c(C)[nH+]2)no1 ZINC000901502885 584454781 /nfs/dbraw/zinc/45/47/81/584454781.db2.gz NPFGDWGXJCHSMM-SNAWJCMRSA-N 1 2 231.255 2.219 20 30 BEEDLO CC(C)n1c[nH+]cc1C=CC(=O)c1c[nH]cn1 ZINC000901541324 584461149 /nfs/dbraw/zinc/46/11/49/584461149.db2.gz VDUFGBZBDSNJMQ-ARJAWSKDSA-N 1 2 230.271 2.083 20 30 BEEDLO C=CC[N@H+](CN1Cc2ccccc2C1=O)C1CC1 ZINC000902208381 584538310 /nfs/dbraw/zinc/53/83/10/584538310.db2.gz BBIOWXPFSFTJKF-UHFFFAOYSA-N 1 2 242.322 2.250 20 30 BEEDLO C=CC[N@@H+](CN1Cc2ccccc2C1=O)C1CC1 ZINC000902208381 584538311 /nfs/dbraw/zinc/53/83/11/584538311.db2.gz BBIOWXPFSFTJKF-UHFFFAOYSA-N 1 2 242.322 2.250 20 30 BEEDLO C#CCCCCCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000902740002 584663193 /nfs/dbraw/zinc/66/31/93/584663193.db2.gz XJSHHZCHHYTHIZ-GFCCVEGCSA-N 1 2 238.331 2.248 20 30 BEEDLO C[C@H]([NH2+]Cc1cscn1)c1cc(C#N)ccn1 ZINC000902782228 584670889 /nfs/dbraw/zinc/67/08/89/584670889.db2.gz AJBCYJTVDSGOJZ-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902872025 584683904 /nfs/dbraw/zinc/68/39/04/584683904.db2.gz WGTSVZWIVJQTGE-SECBINFHSA-N 1 2 221.691 2.356 20 30 BEEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1cc2n(n1)CCC2 ZINC000903102106 584727686 /nfs/dbraw/zinc/72/76/86/584727686.db2.gz SIIBVCHSVSQQJH-SNVBAGLBSA-N 1 2 232.331 2.030 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(O)c1F ZINC000903105544 584728148 /nfs/dbraw/zinc/72/81/48/584728148.db2.gz DNVAOYJPYBWESL-SECBINFHSA-N 1 2 234.274 2.486 20 30 BEEDLO CCc1noc(C)c1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106773 584728432 /nfs/dbraw/zinc/72/84/32/584728432.db2.gz UYEUPQSBWKXBJP-SECBINFHSA-N 1 2 233.315 2.500 20 30 BEEDLO CCCCN(O)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000904214562 584855952 /nfs/dbraw/zinc/85/59/52/584855952.db2.gz DFIAZLJPAZREBN-UHFFFAOYSA-N 1 2 247.298 2.274 20 30 BEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccsc1 ZINC000731158487 584923119 /nfs/dbraw/zinc/92/31/19/584923119.db2.gz AZKWUXLGTBYTGK-OWOJBTEDSA-N 1 2 204.254 2.367 20 30 BEEDLO Cc1cc[nH+]cc1CCC=NOC[C@H]1CCOC1 ZINC000788037295 584927842 /nfs/dbraw/zinc/92/78/42/584927842.db2.gz TXPQNOLXMWTKEB-ZDUSSCGKSA-N 1 2 248.326 2.362 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000731918798 584931595 /nfs/dbraw/zinc/93/15/95/584931595.db2.gz XHWYNDXKXCTMSS-JGVFFNPUSA-N 1 2 243.656 2.127 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000731918798 584931596 /nfs/dbraw/zinc/93/15/96/584931596.db2.gz XHWYNDXKXCTMSS-JGVFFNPUSA-N 1 2 243.656 2.127 20 30 BEEDLO COc1cccc(/C=[NH+]\C[C@]2(C)CCOC2)c1O ZINC000733081346 584943097 /nfs/dbraw/zinc/94/30/97/584943097.db2.gz VXOVACBTCVYIIB-QDECMSLZSA-N 1 2 249.310 2.246 20 30 BEEDLO C=CCC(C)(C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819781899 585007730 /nfs/dbraw/zinc/00/77/30/585007730.db2.gz QOIKICMRDPPMEK-QMMMGPOBSA-N 1 2 226.345 2.196 20 30 BEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000838904859 585077605 /nfs/dbraw/zinc/07/76/05/585077605.db2.gz UDFXPRGBEBVMLK-TVQRCGJNSA-N 1 2 243.266 2.061 20 30 BEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000838904859 585077606 /nfs/dbraw/zinc/07/76/06/585077606.db2.gz UDFXPRGBEBVMLK-TVQRCGJNSA-N 1 2 243.266 2.061 20 30 BEEDLO C=CC(C)(C)C(=O)OCc1ccc[nH+]c1N(C)C ZINC000838953264 585080742 /nfs/dbraw/zinc/08/07/42/585080742.db2.gz FIKNSQLINXIJRF-UHFFFAOYSA-N 1 2 248.326 2.403 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@@H+](CCC#N)CC(C)C ZINC000739914931 585085516 /nfs/dbraw/zinc/08/55/16/585085516.db2.gz SYIBBKMHIYNGKH-UHFFFAOYSA-N 1 2 248.374 2.409 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@H+](CCC#N)CC(C)C ZINC000739914931 585085517 /nfs/dbraw/zinc/08/55/17/585085517.db2.gz SYIBBKMHIYNGKH-UHFFFAOYSA-N 1 2 248.374 2.409 20 30 BEEDLO C#CC[C@@H]([NH2+][C@H](C)CCCC(C)C)C(=O)OC ZINC000839167128 585095519 /nfs/dbraw/zinc/09/55/19/585095519.db2.gz CSNPBRIGYOJHJG-CHWSQXEVSA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@H]([NH2+]C(CCC)CCC)C(=O)OC ZINC000839168211 585095578 /nfs/dbraw/zinc/09/55/78/585095578.db2.gz IWOIPKKJXQYNIR-LBPRGKRZSA-N 1 2 225.332 2.110 20 30 BEEDLO C#CC[C@@H]([NH2+]C(CCC)CCC)C(=O)OC ZINC000839168210 585095680 /nfs/dbraw/zinc/09/56/80/585095680.db2.gz IWOIPKKJXQYNIR-GFCCVEGCSA-N 1 2 225.332 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](C)[C@@H](C)CCCC)C(=O)OC ZINC000839168488 585095754 /nfs/dbraw/zinc/09/57/54/585095754.db2.gz MCUGOPKJGVHPBV-XQQFMLRXSA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@@H]([NH2+]CCC1CCCCC1)C(=O)OC ZINC000839170286 585096120 /nfs/dbraw/zinc/09/61/20/585096120.db2.gz YHJQEXYERQFWTJ-CYBMUJFWSA-N 1 2 237.343 2.111 20 30 BEEDLO C#CC[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C(=O)OC ZINC000839169936 585096246 /nfs/dbraw/zinc/09/62/46/585096246.db2.gz VSRMVYYUYWYXOJ-QWHCGFSZSA-N 1 2 237.343 2.276 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc(C)ccc1C ZINC000839186278 585096608 /nfs/dbraw/zinc/09/66/08/585096608.db2.gz FIQXPVGBTNWUFG-OAHLLOKOSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc(C)ccc1C ZINC000839186278 585096609 /nfs/dbraw/zinc/09/66/09/585096609.db2.gz FIQXPVGBTNWUFG-OAHLLOKOSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CCc1ccc(Cl)cc1 ZINC000839189014 585096958 /nfs/dbraw/zinc/09/69/58/585096958.db2.gz MYYYUMMOYVBJMW-AWEZNQCLSA-N 1 2 249.741 2.217 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CCc1ccc(Cl)cc1 ZINC000839189014 585096959 /nfs/dbraw/zinc/09/69/59/585096959.db2.gz MYYYUMMOYVBJMW-AWEZNQCLSA-N 1 2 249.741 2.217 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1cc(C)cc(C)c1 ZINC000839187052 585097014 /nfs/dbraw/zinc/09/70/14/585097014.db2.gz ZZVRKNCMEQZJFN-OAHLLOKOSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC000839187052 585097015 /nfs/dbraw/zinc/09/70/15/585097015.db2.gz ZZVRKNCMEQZJFN-OAHLLOKOSA-N 1 2 229.323 2.137 20 30 BEEDLO C=CCCOC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000740245291 585099951 /nfs/dbraw/zinc/09/99/51/585099951.db2.gz JEWOQFISAWGVQS-UHFFFAOYSA-N 1 2 244.294 2.305 20 30 BEEDLO C=CC[N@H+](Cc1cccs1)[C@@H]1CCOC1=O ZINC000839454753 585104510 /nfs/dbraw/zinc/10/45/10/585104510.db2.gz BOCQUEMKPVOMBD-LLVKDONJSA-N 1 2 237.324 2.052 20 30 BEEDLO C=CC[N@@H+](Cc1cccs1)[C@@H]1CCOC1=O ZINC000839454753 585104511 /nfs/dbraw/zinc/10/45/11/585104511.db2.gz BOCQUEMKPVOMBD-LLVKDONJSA-N 1 2 237.324 2.052 20 30 BEEDLO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)C#N)c1ccccc1 ZINC000741150536 585110626 /nfs/dbraw/zinc/11/06/26/585110626.db2.gz IFSCNTWEJNSPMO-DGCLKSJQSA-N 1 2 246.310 2.135 20 30 BEEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)C#N)c1ccccc1 ZINC000741150536 585110627 /nfs/dbraw/zinc/11/06/27/585110627.db2.gz IFSCNTWEJNSPMO-DGCLKSJQSA-N 1 2 246.310 2.135 20 30 BEEDLO N#Cc1ccc(F)c(C[NH2+]Cc2nccs2)c1 ZINC000742381841 585125359 /nfs/dbraw/zinc/12/53/59/585125359.db2.gz NEJQIPUXLUYPQR-UHFFFAOYSA-N 1 2 247.298 2.444 20 30 BEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc2c(c1)COC2 ZINC000742436946 585126386 /nfs/dbraw/zinc/12/63/86/585126386.db2.gz OXFBOZXFCHHPNF-ONEGZZNKSA-N 1 2 240.262 2.336 20 30 BEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cscc1C ZINC000749018871 585198238 /nfs/dbraw/zinc/19/82/38/585198238.db2.gz CYZBUJCKYNLDDA-LBPRGKRZSA-N 1 2 248.351 2.093 20 30 BEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cscc1C ZINC000749018871 585198239 /nfs/dbraw/zinc/19/82/39/585198239.db2.gz CYZBUJCKYNLDDA-LBPRGKRZSA-N 1 2 248.351 2.093 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]\CC1CCOCC1 ZINC000749103850 585199377 /nfs/dbraw/zinc/19/93/77/585199377.db2.gz DGCAQGHXRSVUCC-GDNBJRDFSA-N 1 2 249.310 2.246 20 30 BEEDLO CC(CC1CC1)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753933910 585272282 /nfs/dbraw/zinc/27/22/82/585272282.db2.gz GCZGRWPHODWYDG-RYUDHWBXSA-N 1 2 234.347 2.022 20 30 BEEDLO C1CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000753935376 585272552 /nfs/dbraw/zinc/27/25/52/585272552.db2.gz OANGLRANPVFFPJ-RYUDHWBXSA-N 1 2 234.347 2.167 20 30 BEEDLO Fc1ccc(N=NCc2c[nH]c[nH+]2)c(F)c1 ZINC000755465282 585300034 /nfs/dbraw/zinc/30/00/34/585300034.db2.gz YPLMFCRLVJXLBU-UHFFFAOYSA-N 1 2 222.198 2.134 20 30 BEEDLO Cn1c[nH+]cc1C=NNc1ccc(F)cc1 ZINC000755471753 585300282 /nfs/dbraw/zinc/30/02/82/585300282.db2.gz MTPHLWRMWKDUSF-UHFFFAOYSA-N 1 2 218.235 2.005 20 30 BEEDLO C[C@@H](CCC#N)[N@H+](C)Cc1ncc(Cl)n1C ZINC000839548856 585330408 /nfs/dbraw/zinc/33/04/08/585330408.db2.gz VASBNYBGBPGYMK-VIFPVBQESA-N 1 2 240.738 2.198 20 30 BEEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000839548856 585330409 /nfs/dbraw/zinc/33/04/09/585330409.db2.gz VASBNYBGBPGYMK-VIFPVBQESA-N 1 2 240.738 2.198 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839621499 585332333 /nfs/dbraw/zinc/33/23/33/585332333.db2.gz AOUAEQLWJRSOSG-LLVKDONJSA-N 1 2 215.724 2.240 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000839621499 585332334 /nfs/dbraw/zinc/33/23/34/585332334.db2.gz AOUAEQLWJRSOSG-LLVKDONJSA-N 1 2 215.724 2.240 20 30 BEEDLO Cc1ccc(C[NH2+][C@@H](C)CC#N)cc1[N+](=O)[O-] ZINC000757910545 585346747 /nfs/dbraw/zinc/34/67/47/585346747.db2.gz WEIHKVRTINGJHS-JTQLQIEISA-N 1 2 233.271 2.295 20 30 BEEDLO C(=NNC1CC1)c1cc(-n2cc[nH+]c2)cs1 ZINC000758128635 585349996 /nfs/dbraw/zinc/34/99/96/585349996.db2.gz ARTXVCDEDYPFCN-UHFFFAOYSA-N 1 2 232.312 2.020 20 30 BEEDLO Nc1ncccc1C=[NH+]OCc1ccc(F)cc1 ZINC000758143574 585350501 /nfs/dbraw/zinc/35/05/01/585350501.db2.gz OXXDEFLCWLYQQK-UHFFFAOYSA-N 1 2 245.257 2.354 20 30 BEEDLO CN(C)c1ccc(C=[NH+]OCC(F)F)s1 ZINC000758903565 585362076 /nfs/dbraw/zinc/36/20/76/585362076.db2.gz HROVWCIFPXROFK-UHFFFAOYSA-N 1 2 234.271 2.430 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000759373617 585371630 /nfs/dbraw/zinc/37/16/30/585371630.db2.gz ADLYWDBTEGOPSB-ZWNOBZJWSA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000759373617 585371631 /nfs/dbraw/zinc/37/16/31/585371631.db2.gz ADLYWDBTEGOPSB-ZWNOBZJWSA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@H](C[C@H]1CCOC1)/[NH+]=C/c1cccc(O)c1O ZINC000759645100 585377799 /nfs/dbraw/zinc/37/77/99/585377799.db2.gz XQUWAIINGRJZTE-VTVUARRKSA-N 1 2 249.310 2.332 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1cccc(F)c1 ZINC000790301019 585402555 /nfs/dbraw/zinc/40/25/55/585402555.db2.gz ALJGIOFDTNSWKA-UHFFFAOYSA-N 1 2 218.235 2.005 20 30 BEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054812 585404392 /nfs/dbraw/zinc/40/43/92/585404392.db2.gz JQRCDYGOOYCCKG-VHSXEESVSA-N 1 2 245.248 2.314 20 30 BEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054812 585404393 /nfs/dbraw/zinc/40/43/93/585404393.db2.gz JQRCDYGOOYCCKG-VHSXEESVSA-N 1 2 245.248 2.314 20 30 BEEDLO C#CCC[N@@H+](CC(F)F)CC1CCC1 ZINC000761717392 585418073 /nfs/dbraw/zinc/41/80/73/585418073.db2.gz DTKKOYJFRFATRZ-UHFFFAOYSA-N 1 2 201.260 2.377 20 30 BEEDLO C#CCC[N@H+](CC(F)F)CC1CCC1 ZINC000761717392 585418074 /nfs/dbraw/zinc/41/80/74/585418074.db2.gz DTKKOYJFRFATRZ-UHFFFAOYSA-N 1 2 201.260 2.377 20 30 BEEDLO CC(C)CCN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761837799 585419684 /nfs/dbraw/zinc/41/96/84/585419684.db2.gz SMJHTFZTVUTBDN-UHFFFAOYSA-N 1 2 244.302 2.106 20 30 BEEDLO C#CCCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000766742797 585507864 /nfs/dbraw/zinc/50/78/64/585507864.db2.gz CELRJBMVTNATGT-UHFFFAOYSA-N 1 2 236.702 2.390 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859239427 589023049 /nfs/dbraw/zinc/02/30/49/589023049.db2.gz OKXNDEDHPUICNF-UHFFFAOYSA-N 1 2 213.712 2.081 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000859239427 589023051 /nfs/dbraw/zinc/02/30/51/589023051.db2.gz OKXNDEDHPUICNF-UHFFFAOYSA-N 1 2 213.712 2.081 20 30 BEEDLO CCOC(C[N@H+](C[C@H](C)C#N)C1CC1)OCC ZINC000767809894 585526204 /nfs/dbraw/zinc/52/62/04/585526204.db2.gz AKJUAKOBWBMGQY-LLVKDONJSA-N 1 2 240.347 2.010 20 30 BEEDLO CCOC(C[N@@H+](C[C@H](C)C#N)C1CC1)OCC ZINC000767809894 585526205 /nfs/dbraw/zinc/52/62/05/585526205.db2.gz AKJUAKOBWBMGQY-LLVKDONJSA-N 1 2 240.347 2.010 20 30 BEEDLO C#CCCCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000767948666 585528833 /nfs/dbraw/zinc/52/88/33/585528833.db2.gz SJYKIVSNZPEVHX-UHFFFAOYSA-N 1 2 245.326 2.045 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cc(C)oc1C ZINC000769452173 585557048 /nfs/dbraw/zinc/55/70/48/585557048.db2.gz QXWAUBZVCXGUNR-UHFFFAOYSA-N 1 2 215.296 2.355 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cc(C)oc1C ZINC000769452173 585557049 /nfs/dbraw/zinc/55/70/49/585557049.db2.gz QXWAUBZVCXGUNR-UHFFFAOYSA-N 1 2 215.296 2.355 20 30 BEEDLO CCOC(=O)C1(C/[NH+]=C/c2ccccc2O)CC1 ZINC000769718142 585562549 /nfs/dbraw/zinc/56/25/49/585562549.db2.gz HRAIWOXASIUKHF-OQLLNIDSSA-N 1 2 247.294 2.154 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000769961459 585567690 /nfs/dbraw/zinc/56/76/90/585567690.db2.gz KSFIRDWNOQZJKG-VIFPVBQESA-N 1 2 236.246 2.187 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000769961459 585567691 /nfs/dbraw/zinc/56/76/91/585567691.db2.gz KSFIRDWNOQZJKG-VIFPVBQESA-N 1 2 236.246 2.187 20 30 BEEDLO C=C(C)CO[NH+]=C(N)c1ccccc1C ZINC000771652926 585598514 /nfs/dbraw/zinc/59/85/14/585598514.db2.gz KCIOKQKEVBHSFD-UHFFFAOYSA-N 1 2 204.273 2.418 20 30 BEEDLO Cn1c[nH+]cc1C=NN[C@@H]1CCCCC1(C)C ZINC000773123618 585632120 /nfs/dbraw/zinc/63/21/20/585632120.db2.gz ANLCURHERCIRMX-GFCCVEGCSA-N 1 2 234.347 2.312 20 30 BEEDLO Cn1c[nH+]cc1C=NN[C@H]1CCCCC1(C)C ZINC000773123619 585632158 /nfs/dbraw/zinc/63/21/58/585632158.db2.gz ANLCURHERCIRMX-LBPRGKRZSA-N 1 2 234.347 2.312 20 30 BEEDLO C=C(CC)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000773519412 585639230 /nfs/dbraw/zinc/63/92/30/585639230.db2.gz WWJALJKWYSROGH-UHFFFAOYSA-N 1 2 230.267 2.457 20 30 BEEDLO C[N@H+](CCC#N)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774660821 585662852 /nfs/dbraw/zinc/66/28/52/585662852.db2.gz QYOFSSHQFZBXRM-GFCCVEGCSA-N 1 2 238.718 2.219 20 30 BEEDLO C[N@@H+](CCC#N)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774660821 585662853 /nfs/dbraw/zinc/66/28/53/585662853.db2.gz QYOFSSHQFZBXRM-GFCCVEGCSA-N 1 2 238.718 2.219 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1n[nH]c2ccccc21 ZINC000775180376 585673042 /nfs/dbraw/zinc/67/30/42/585673042.db2.gz WTUZDSRQMCQRMG-SNVBAGLBSA-N 1 2 213.284 2.016 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1n[nH]c2ccccc21 ZINC000775180376 585673043 /nfs/dbraw/zinc/67/30/43/585673043.db2.gz WTUZDSRQMCQRMG-SNVBAGLBSA-N 1 2 213.284 2.016 20 30 BEEDLO CCc1cnccc1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000776189990 585692407 /nfs/dbraw/zinc/69/24/07/585692407.db2.gz MRMLNDAUVOWMFP-ARJAWSKDSA-N 1 2 227.267 2.263 20 30 BEEDLO C[C@H](/[NH+]=C\c1cccc(O)c1O)[C@H]1CCCOC1 ZINC000779707251 585759270 /nfs/dbraw/zinc/75/92/70/585759270.db2.gz LNWHDVQUFLZCAZ-QZGWHZTESA-N 1 2 249.310 2.332 20 30 BEEDLO Oc1ccc(C=NNc2cc[nH+]cc2)cc1Cl ZINC000779806985 585765253 /nfs/dbraw/zinc/76/52/53/585765253.db2.gz KYWVTQRPTKTXFH-UHFFFAOYSA-N 1 2 247.685 2.309 20 30 BEEDLO CC[C@@H](C#N)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000781204903 585793157 /nfs/dbraw/zinc/79/31/57/585793157.db2.gz FJKJUAWAXRDCGD-QWHCGFSZSA-N 1 2 246.310 2.135 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781354100 585794930 /nfs/dbraw/zinc/79/49/30/585794930.db2.gz NZGFUGFPOHVLSC-MRVPVSSYSA-N 1 2 225.666 2.443 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781354100 585794931 /nfs/dbraw/zinc/79/49/31/585794931.db2.gz NZGFUGFPOHVLSC-MRVPVSSYSA-N 1 2 225.666 2.443 20 30 BEEDLO N#CCCCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000805696668 585801358 /nfs/dbraw/zinc/80/13/58/585801358.db2.gz KMBURESZFJONNC-UHFFFAOYSA-N 1 2 247.298 2.181 20 30 BEEDLO CO[C@@H](C)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000782312731 585814856 /nfs/dbraw/zinc/81/48/56/585814856.db2.gz HCFWUIJCTPZEJM-QMMMGPOBSA-N 1 2 242.706 2.012 20 30 BEEDLO C=C[C@](C)(CC)C(=O)OCCCn1cc[nH+]c1 ZINC000784872467 585867345 /nfs/dbraw/zinc/86/73/45/585867345.db2.gz FALAXUSDIMMGES-CYBMUJFWSA-N 1 2 236.315 2.419 20 30 BEEDLO C=CCC[N@@H+](C)Cn1nc(C(C)(C)C)ccc1=O ZINC000786100611 585887151 /nfs/dbraw/zinc/88/71/51/585887151.db2.gz CNTLVOWHUBJCNZ-UHFFFAOYSA-N 1 2 249.358 2.006 20 30 BEEDLO C=CCC[N@H+](C)Cn1nc(C(C)(C)C)ccc1=O ZINC000786100611 585887152 /nfs/dbraw/zinc/88/71/52/585887152.db2.gz CNTLVOWHUBJCNZ-UHFFFAOYSA-N 1 2 249.358 2.006 20 30 BEEDLO C#CCCC/[NH+]=C\c1c(O)cccc1OC ZINC000788674501 585929014 /nfs/dbraw/zinc/92/90/14/585929014.db2.gz KKVYUOUCGNBSLD-UVTDQMKNSA-N 1 2 217.268 2.233 20 30 BEEDLO C=CC[N@@H+](Cc1ncnn1CCC)C(C)C ZINC000790265783 585962183 /nfs/dbraw/zinc/96/21/83/585962183.db2.gz HHPJGIBVYYJNBK-UHFFFAOYSA-N 1 2 222.336 2.085 20 30 BEEDLO C=CC[N@H+](Cc1ncnn1CCC)C(C)C ZINC000790265783 585962184 /nfs/dbraw/zinc/96/21/84/585962184.db2.gz HHPJGIBVYYJNBK-UHFFFAOYSA-N 1 2 222.336 2.085 20 30 BEEDLO COCc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790299413 585962662 /nfs/dbraw/zinc/96/26/62/585962662.db2.gz DTRMUPBVXJGZIO-UHFFFAOYSA-N 1 2 244.298 2.013 20 30 BEEDLO Cc1cc(C=NNc2[nH+]ccn2C)cnc1Cl ZINC000790301635 585963095 /nfs/dbraw/zinc/96/30/95/585963095.db2.gz HDMMMOLBSOYQFN-UHFFFAOYSA-N 1 2 249.705 2.223 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1ccsc1 ZINC000790306236 585963309 /nfs/dbraw/zinc/96/33/09/585963309.db2.gz TYBJFKYGKRNPIP-UHFFFAOYSA-N 1 2 220.301 2.318 20 30 BEEDLO Cc1ccc(C=[NH+][N-]c2[nH+]ccn2C)c(C)c1 ZINC000790306484 585963440 /nfs/dbraw/zinc/96/34/40/585963440.db2.gz ZCXRJNRZLJJBJW-UHFFFAOYSA-N 1 2 228.299 2.483 20 30 BEEDLO Cc1ccc(C=NNc2[nH+]ccn2C)c(C)c1 ZINC000790306484 585963441 /nfs/dbraw/zinc/96/34/41/585963441.db2.gz ZCXRJNRZLJJBJW-UHFFFAOYSA-N 1 2 228.299 2.483 20 30 BEEDLO C#C[C@@H](CCC)[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC000790546617 585966168 /nfs/dbraw/zinc/96/61/68/585966168.db2.gz MJCZFMUKDLDOCE-STQMWFEESA-N 1 2 239.359 2.356 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]\CCC1(O)CCC1 ZINC000790575626 585966459 /nfs/dbraw/zinc/96/64/59/585966459.db2.gz UKNZLJRBZLGJSG-GDNBJRDFSA-N 1 2 249.310 2.125 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(O)ccc1Cl ZINC000859280153 589027408 /nfs/dbraw/zinc/02/74/08/589027408.db2.gz GXHLUKMDUFRNOV-SECBINFHSA-N 1 2 223.703 2.499 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(O)ccc1Cl ZINC000859280153 589027409 /nfs/dbraw/zinc/02/74/09/589027409.db2.gz GXHLUKMDUFRNOV-SECBINFHSA-N 1 2 223.703 2.499 20 30 BEEDLO C#CCC[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000795069597 586067837 /nfs/dbraw/zinc/06/78/37/586067837.db2.gz YDMOTDAQFQBJHQ-SECBINFHSA-N 1 2 235.249 2.051 20 30 BEEDLO C#CCC[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000795069597 586067838 /nfs/dbraw/zinc/06/78/38/586067838.db2.gz YDMOTDAQFQBJHQ-SECBINFHSA-N 1 2 235.249 2.051 20 30 BEEDLO Cc1nccc(C[N@@H+](CCC#N)CC(C)C)n1 ZINC000796446170 586103166 /nfs/dbraw/zinc/10/31/66/586103166.db2.gz RFFKRUCIHMFSTN-UHFFFAOYSA-N 1 2 232.331 2.157 20 30 BEEDLO Cc1nccc(C[N@H+](CCC#N)CC(C)C)n1 ZINC000796446170 586103167 /nfs/dbraw/zinc/10/31/67/586103167.db2.gz RFFKRUCIHMFSTN-UHFFFAOYSA-N 1 2 232.331 2.157 20 30 BEEDLO C#CC[C@@H]([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000796451184 586103740 /nfs/dbraw/zinc/10/37/40/586103740.db2.gz RNLGJORYZUXDKH-CQSZACIVSA-N 1 2 225.295 2.264 20 30 BEEDLO C=CCC(C)(C)C(=O)OCc1c[nH+]cn1C ZINC000796941776 586117522 /nfs/dbraw/zinc/11/75/22/586117522.db2.gz FLGOCVLOPXCHJH-UHFFFAOYSA-N 1 2 222.288 2.066 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/[C@H](C)[C@@H]2CCOC2)c1 ZINC000798343806 586142924 /nfs/dbraw/zinc/14/29/24/586142924.db2.gz RFHGMTNYFJFHHH-VTVUARRKSA-N 1 2 249.310 2.245 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCc2c(C)cccc2C1 ZINC000800337641 586213441 /nfs/dbraw/zinc/21/34/41/586213441.db2.gz CDBIYSJBPUKDDM-AWEZNQCLSA-N 1 2 245.322 2.081 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCc2c(C)cccc2C1 ZINC000800337641 586213443 /nfs/dbraw/zinc/21/34/43/586213443.db2.gz CDBIYSJBPUKDDM-AWEZNQCLSA-N 1 2 245.322 2.081 20 30 BEEDLO Cn1c[nH+]c(/C=C2\Oc3ccccc3C2=O)c1 ZINC000800794721 586228636 /nfs/dbraw/zinc/22/86/36/586228636.db2.gz OMVIADZZIBJAKK-SDQBBNPISA-N 1 2 226.235 2.036 20 30 BEEDLO Cc1cc(C(=O)/C=C/c2cn(C)c[nH+]2)ccc1O ZINC000800793550 586229600 /nfs/dbraw/zinc/22/96/00/586229600.db2.gz MDZCOANPNALYBV-GQCTYLIASA-N 1 2 242.278 2.330 20 30 BEEDLO Cc1[nH+]c(C(C)N=Nc2ccnc(F)c2)cn1C ZINC000800815974 586232417 /nfs/dbraw/zinc/23/24/17/586232417.db2.gz WAVLJGWHPYHZDR-UHFFFAOYSA-N 1 2 247.277 2.099 20 30 BEEDLO CC(=NOCC(F)(F)F)c1cn(C)c(C)[nH+]1 ZINC000800814756 586232523 /nfs/dbraw/zinc/23/25/23/586232523.db2.gz XICWTWWYVSTBRS-UHFFFAOYSA-N 1 2 235.209 2.031 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802234805 586298058 /nfs/dbraw/zinc/29/80/58/586298058.db2.gz HUNGYADMPFVYGA-NWDGAFQWSA-N 1 2 243.322 2.176 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802234805 586298060 /nfs/dbraw/zinc/29/80/60/586298060.db2.gz HUNGYADMPFVYGA-NWDGAFQWSA-N 1 2 243.322 2.176 20 30 BEEDLO CCc1[nH+]c(C)ccc1OCCO[C@@H](C)C#N ZINC000802733217 586311661 /nfs/dbraw/zinc/31/16/61/586311661.db2.gz AGNPXXLHIAVDFT-NSHDSACASA-N 1 2 234.299 2.260 20 30 BEEDLO Nc1ccc(C=[NH+]Nc2cc(Cl)ccn2)cn1 ZINC000807981132 586454610 /nfs/dbraw/zinc/45/46/10/586454610.db2.gz HLHSUAQZCWMMLH-UHFFFAOYSA-N 1 2 247.689 2.158 20 30 BEEDLO CC(C)C(=O)CC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000808740660 586486902 /nfs/dbraw/zinc/48/69/02/586486902.db2.gz WAWNCFHAJDCXFS-NSHDSACASA-N 1 2 222.332 2.226 20 30 BEEDLO CC(C)C(=O)CC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000808740660 586486904 /nfs/dbraw/zinc/48/69/04/586486904.db2.gz WAWNCFHAJDCXFS-NSHDSACASA-N 1 2 222.332 2.226 20 30 BEEDLO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cn2)no1 ZINC000810239735 586537189 /nfs/dbraw/zinc/53/71/89/586537189.db2.gz YXYQQPCMGFCHEJ-JTQLQIEISA-N 1 2 242.282 2.101 20 30 BEEDLO N#CCCSCc1ccc(-n2cc[nH+]c2)nc1 ZINC000840211347 586547749 /nfs/dbraw/zinc/54/77/49/586547749.db2.gz HKAXDVCYAYYWMY-UHFFFAOYSA-N 1 2 244.323 2.414 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1ccc2[nH]ccc2c1 ZINC000811649237 586562821 /nfs/dbraw/zinc/56/28/21/586562821.db2.gz FTESYHDAJOZGRK-UHFFFAOYSA-N 1 2 239.282 2.347 20 30 BEEDLO Cn1cc[nH+]c1[N-][NH+]=Cc1ccc2[nH]ccc2c1 ZINC000811649237 586562822 /nfs/dbraw/zinc/56/28/22/586562822.db2.gz FTESYHDAJOZGRK-UHFFFAOYSA-N 1 2 239.282 2.347 20 30 BEEDLO N#Cc1ccc2c(c1)C(=O)/C(=C\c1[nH]cc[nH+]1)C2 ZINC000811696357 586565806 /nfs/dbraw/zinc/56/58/06/586565806.db2.gz SQBFLCPCIOCKEN-XFFZJAGNSA-N 1 2 235.246 2.104 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc(F)cc1 ZINC000812793380 586585680 /nfs/dbraw/zinc/58/56/80/586585680.db2.gz RLBLPXZMLPFKAI-CYBMUJFWSA-N 1 2 229.258 2.013 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1c(O)cccc1OC ZINC000814171443 586615486 /nfs/dbraw/zinc/61/54/86/586615486.db2.gz OZDHVWFQSVWTCR-UHFFFAOYSA-N 1 2 246.310 2.302 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1c(O)cccc1OC ZINC000814171443 586615487 /nfs/dbraw/zinc/61/54/87/586615487.db2.gz OZDHVWFQSVWTCR-UHFFFAOYSA-N 1 2 246.310 2.302 20 30 BEEDLO CC(=[NH+]Nc1ccnc(F)c1)c1ccc(N)nc1 ZINC000814901135 586646846 /nfs/dbraw/zinc/64/68/46/586646846.db2.gz ZKDSTBLZXKGOTM-UHFFFAOYSA-N 1 2 245.261 2.034 20 30 BEEDLO CC(=[NH+]NCC(F)(F)F)c1cc(N)ccc1F ZINC000814904787 586647644 /nfs/dbraw/zinc/64/76/44/586647644.db2.gz YOSWTMMMSKSGLK-UHFFFAOYSA-N 1 2 249.211 2.284 20 30 BEEDLO Cn1cc[nH+]c1NN=C1CCCc2occc21 ZINC000814919526 586650969 /nfs/dbraw/zinc/65/09/69/586650969.db2.gz UMVJBBBIRYNZDL-UHFFFAOYSA-N 1 2 230.271 2.166 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cccc(O)c1Cl ZINC000816592988 586742998 /nfs/dbraw/zinc/74/29/98/586742998.db2.gz APFOLSIDGYKALJ-SECBINFHSA-N 1 2 223.703 2.499 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cccc(O)c1Cl ZINC000816592988 586742999 /nfs/dbraw/zinc/74/29/99/586742999.db2.gz APFOLSIDGYKALJ-SECBINFHSA-N 1 2 223.703 2.499 20 30 BEEDLO N#CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816593082 586743003 /nfs/dbraw/zinc/74/30/03/586743003.db2.gz DHDVKMSBHREAGX-UHFFFAOYSA-N 1 2 228.654 2.188 20 30 BEEDLO COCCCON=C1CCc2ccc[nH+]c2CC1 ZINC000817329160 586795480 /nfs/dbraw/zinc/79/54/80/586795480.db2.gz SFOBVXIHUGGISI-UHFFFAOYSA-N 1 2 248.326 2.370 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000859886977 589068540 /nfs/dbraw/zinc/06/85/40/589068540.db2.gz BJDQUWCIDZLCPV-SNVBAGLBSA-N 1 2 239.706 2.072 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000859886977 589068541 /nfs/dbraw/zinc/06/85/41/589068541.db2.gz BJDQUWCIDZLCPV-SNVBAGLBSA-N 1 2 239.706 2.072 20 30 BEEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1ccns1 ZINC000860060013 589078134 /nfs/dbraw/zinc/07/81/34/589078134.db2.gz RUYMSTVVEWGMRH-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO CC[N@@H+](CC#N)CCC(C)(C)SC ZINC000820857118 587077681 /nfs/dbraw/zinc/07/76/81/587077681.db2.gz PXNPHCJYJUWCNY-UHFFFAOYSA-N 1 2 200.351 2.364 20 30 BEEDLO CC[N@H+](CC#N)CCC(C)(C)SC ZINC000820857118 587077682 /nfs/dbraw/zinc/07/76/82/587077682.db2.gz PXNPHCJYJUWCNY-UHFFFAOYSA-N 1 2 200.351 2.364 20 30 BEEDLO C#C[C@@](C)(CC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000821003619 587087548 /nfs/dbraw/zinc/08/75/48/587087548.db2.gz DXEJGUFSYLJXNA-AWEZNQCLSA-N 1 2 241.294 2.095 20 30 BEEDLO N#Cc1cccc(C(=O)/C=C/c2ccc(N)[nH+]c2)c1 ZINC000821037348 587089757 /nfs/dbraw/zinc/08/97/57/587089757.db2.gz AOYFJUMVAGOIOV-GQCTYLIASA-N 1 2 249.273 2.432 20 30 BEEDLO C=CCOC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000821621622 587132933 /nfs/dbraw/zinc/13/29/33/587132933.db2.gz ZLNHKLBFYSMHCF-UHFFFAOYSA-N 1 2 242.278 2.274 20 30 BEEDLO C=C[C@@H](CC)CC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000823307974 587215496 /nfs/dbraw/zinc/21/54/96/587215496.db2.gz YVGJAGMRPQISDS-IUCAKERBSA-N 1 2 226.345 2.196 20 30 BEEDLO C#CC[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000823510085 587228398 /nfs/dbraw/zinc/22/83/98/587228398.db2.gz WDIZFJPYYJRNEG-VXGBXAGGSA-N 1 2 237.343 2.062 20 30 BEEDLO C#CC[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000823510085 587228399 /nfs/dbraw/zinc/22/83/99/587228399.db2.gz WDIZFJPYYJRNEG-VXGBXAGGSA-N 1 2 237.343 2.062 20 30 BEEDLO C#Cc1ccc(C[N@@H+]2CCc3nccnc3C2)cc1 ZINC000827693146 587397064 /nfs/dbraw/zinc/39/70/64/587397064.db2.gz YUYLAUUXEQKDOG-UHFFFAOYSA-N 1 2 249.317 2.016 20 30 BEEDLO C#Cc1ccc(C[N@H+]2CCc3nccnc3C2)cc1 ZINC000827693146 587397065 /nfs/dbraw/zinc/39/70/65/587397065.db2.gz YUYLAUUXEQKDOG-UHFFFAOYSA-N 1 2 249.317 2.016 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(Cl)c(OC)c1 ZINC000827947993 587412402 /nfs/dbraw/zinc/41/24/02/587412402.db2.gz FEKZBVFMIUWGED-UHFFFAOYSA-N 1 2 247.725 2.417 20 30 BEEDLO CC(C)CC(=O)CC[N@H+](C)[C@H](C)CC#N ZINC000827995487 587416023 /nfs/dbraw/zinc/41/60/23/587416023.db2.gz DYWBTTJYHWTDPW-LLVKDONJSA-N 1 2 210.321 2.226 20 30 BEEDLO CC(C)CC(=O)CC[N@@H+](C)[C@H](C)CC#N ZINC000827995487 587416025 /nfs/dbraw/zinc/41/60/25/587416025.db2.gz DYWBTTJYHWTDPW-LLVKDONJSA-N 1 2 210.321 2.226 20 30 BEEDLO C=C1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000830990803 587580420 /nfs/dbraw/zinc/58/04/20/587580420.db2.gz KPKCJEUJAXUGBX-UHFFFAOYSA-N 1 2 247.342 2.205 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832368447 587656425 /nfs/dbraw/zinc/65/64/25/587656425.db2.gz AFNXDXROXOMPIU-UHFFFAOYSA-N 1 2 240.372 2.378 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832368447 587656426 /nfs/dbraw/zinc/65/64/26/587656426.db2.gz AFNXDXROXOMPIU-UHFFFAOYSA-N 1 2 240.372 2.378 20 30 BEEDLO CC1(C)CCC[C@H](C=[NH+]n2ccnn2)C1 ZINC000835011836 587777813 /nfs/dbraw/zinc/77/78/13/587777813.db2.gz QSBHXORXBCWCTH-JTQLQIEISA-N 1 2 206.293 2.328 20 30 BEEDLO FC(F)(F)C1CCC(C=[NH+]n2ccnn2)CC1 ZINC000835011671 587777833 /nfs/dbraw/zinc/77/78/33/587777833.db2.gz OWPJYVVJAGZGFL-UHFFFAOYSA-N 1 2 246.236 2.481 20 30 BEEDLO C[C@H]1C[C@@H](NC(=O)C#CC(C)(C)C)c2[nH+]ccn21 ZINC000837689601 587891423 /nfs/dbraw/zinc/89/14/23/587891423.db2.gz WAXXTJHYQZXHDH-WDEREUQCSA-N 1 2 245.326 2.055 20 30 BEEDLO CC[C@@H]1CCCC[C@H]1C=[NH+]n1ccnn1 ZINC000842535636 588035907 /nfs/dbraw/zinc/03/59/07/588035907.db2.gz HSOHKUPTWWMNAK-MNOVXSKESA-N 1 2 206.293 2.328 20 30 BEEDLO C=C(Br)C[NH2+]Cc1cscn1 ZINC000105453267 588174047 /nfs/dbraw/zinc/17/40/47/588174047.db2.gz HWBVYDJLMBYJIC-UHFFFAOYSA-N 1 2 233.134 2.141 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](CC)OC[C@H]1C ZINC000844389493 588189140 /nfs/dbraw/zinc/18/91/40/588189140.db2.gz KKBQFLPXKFTJKJ-NXEZZACHSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CC)OC[C@H]1C ZINC000844389493 588189142 /nfs/dbraw/zinc/18/91/42/588189142.db2.gz KKBQFLPXKFTJKJ-NXEZZACHSA-N 1 2 203.713 2.238 20 30 BEEDLO N#Cc1cccc2c1C[N@H+](CCC(=O)C1CC1)C2 ZINC000844473365 588198246 /nfs/dbraw/zinc/19/82/46/588198246.db2.gz ZLGFLDVQMKWIDG-UHFFFAOYSA-N 1 2 240.306 2.243 20 30 BEEDLO N#Cc1cccc2c1C[N@@H+](CCC(=O)C1CC1)C2 ZINC000844473365 588198247 /nfs/dbraw/zinc/19/82/47/588198247.db2.gz ZLGFLDVQMKWIDG-UHFFFAOYSA-N 1 2 240.306 2.243 20 30 BEEDLO C=C[C@H](C)O[NH+]=C(C)c1csc(N)n1 ZINC000844626090 588211279 /nfs/dbraw/zinc/21/12/79/588211279.db2.gz XPBKAIIZOFWYLO-LURJTMIESA-N 1 2 211.290 2.040 20 30 BEEDLO C=C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)C(=O)OC ZINC000844630407 588211436 /nfs/dbraw/zinc/21/14/36/588211436.db2.gz HHOQVUNSVXNMIS-JMJZKYOTSA-N 1 2 249.713 2.008 20 30 BEEDLO C=C(Cl)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845278850 588225622 /nfs/dbraw/zinc/22/56/22/588225622.db2.gz KLGRBHJWKJEXBF-SECBINFHSA-N 1 2 228.679 2.130 20 30 BEEDLO C[C@H](CC(=O)OCC1(C#N)CCC1)n1cc[nH+]c1 ZINC000845287108 588225840 /nfs/dbraw/zinc/22/58/40/588225840.db2.gz TYNIJPFZQFAQEH-LLVKDONJSA-N 1 2 247.298 2.071 20 30 BEEDLO C[C@H](CC(=O)OCC(C)(C)CC#N)n1cc[nH+]c1 ZINC000845517345 588231661 /nfs/dbraw/zinc/23/16/61/588231661.db2.gz NBGRGEQPRXOOIG-LLVKDONJSA-N 1 2 249.314 2.317 20 30 BEEDLO C#CCC[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845598536 588234922 /nfs/dbraw/zinc/23/49/22/588234922.db2.gz PDEFIWNVCZZIQO-NEPJUHHUSA-N 1 2 234.299 2.179 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC000847022438 588303292 /nfs/dbraw/zinc/30/32/92/588303292.db2.gz HRMVNQPFHAPKMJ-LLVKDONJSA-N 1 2 233.315 2.038 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC000847022438 588303293 /nfs/dbraw/zinc/30/32/93/588303293.db2.gz HRMVNQPFHAPKMJ-LLVKDONJSA-N 1 2 233.315 2.038 20 30 BEEDLO CCC(=NNCCCn1cc[nH+]c1)C1CC1 ZINC000848417658 588381986 /nfs/dbraw/zinc/38/19/86/588381986.db2.gz DFRBRINGWCFCRH-UHFFFAOYSA-N 1 2 220.320 2.039 20 30 BEEDLO Cc1ccccc1C=NNCCCn1cc[nH+]c1 ZINC000848419849 588382644 /nfs/dbraw/zinc/38/26/44/588382644.db2.gz HBOPWNUXZRRFBJ-UHFFFAOYSA-N 1 2 242.326 2.205 20 30 BEEDLO C#CCCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000848664831 588404366 /nfs/dbraw/zinc/40/43/66/588404366.db2.gz BPMXECKADVCCPC-UHFFFAOYSA-N 1 2 231.299 2.106 20 30 BEEDLO C=C(Br)C[N@@H+](CC)CCOCC ZINC000107791692 588405770 /nfs/dbraw/zinc/40/57/70/588405770.db2.gz PLBPLLFWZZRZBV-UHFFFAOYSA-N 1 2 236.153 2.253 20 30 BEEDLO C=C(Br)C[N@H+](CC)CCOCC ZINC000107791692 588405772 /nfs/dbraw/zinc/40/57/72/588405772.db2.gz PLBPLLFWZZRZBV-UHFFFAOYSA-N 1 2 236.153 2.253 20 30 BEEDLO C#C[C@@H]1CCCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000848749441 588410749 /nfs/dbraw/zinc/41/07/49/588410749.db2.gz HCIODYSMMXHREE-LLVKDONJSA-N 1 2 240.310 2.116 20 30 BEEDLO C#CCCCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782830 588413634 /nfs/dbraw/zinc/41/36/34/588413634.db2.gz WFWWQKXZGPDNHQ-UHFFFAOYSA-N 1 2 242.278 2.213 20 30 BEEDLO C#CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000851938135 588646432 /nfs/dbraw/zinc/64/64/32/588646432.db2.gz KETHCVDFUDUMPF-UHFFFAOYSA-N 1 2 248.257 2.332 20 30 BEEDLO C#CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000851938135 588646433 /nfs/dbraw/zinc/64/64/33/588646433.db2.gz KETHCVDFUDUMPF-UHFFFAOYSA-N 1 2 248.257 2.332 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc(CC)no1 ZINC000852098973 588662133 /nfs/dbraw/zinc/66/21/33/588662133.db2.gz AGEWHJXYCQZDLB-CABZTGNLSA-N 1 2 221.304 2.085 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000852099304 588662876 /nfs/dbraw/zinc/66/28/76/588662876.db2.gz JNXLYLVAHWMPJD-CYBMUJFWSA-N 1 2 235.331 2.259 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000852103009 588663347 /nfs/dbraw/zinc/66/33/47/588663347.db2.gz VXJQXFOSHJLWCX-ZDUSSCGKSA-N 1 2 245.282 2.221 20 30 BEEDLO C#C[C@](C)(CC)[NH2+][C@H](CC)C(=O)OC(C)(C)C ZINC000852103210 588663435 /nfs/dbraw/zinc/66/34/35/588663435.db2.gz AKVGQYINSRIDJQ-BXUZGUMPSA-N 1 2 239.359 2.498 20 30 BEEDLO C=CC[N@H+](Cc1ncc(C)s1)[C@@H](C)COC ZINC000852357100 588679256 /nfs/dbraw/zinc/67/92/56/588679256.db2.gz XEANKMQIROIYCS-JTQLQIEISA-N 1 2 240.372 2.474 20 30 BEEDLO C=CC[N@@H+](Cc1ncc(C)s1)[C@@H](C)COC ZINC000852357100 588679257 /nfs/dbraw/zinc/67/92/57/588679257.db2.gz XEANKMQIROIYCS-JTQLQIEISA-N 1 2 240.372 2.474 20 30 BEEDLO COCC[N@H+](CCF)Cc1ccc(C#N)s1 ZINC000852480421 588683601 /nfs/dbraw/zinc/68/36/01/588683601.db2.gz VSHHZWLXSLEWQJ-UHFFFAOYSA-N 1 2 242.319 2.038 20 30 BEEDLO COCC[N@@H+](CCF)Cc1ccc(C#N)s1 ZINC000852480421 588683602 /nfs/dbraw/zinc/68/36/02/588683602.db2.gz VSHHZWLXSLEWQJ-UHFFFAOYSA-N 1 2 242.319 2.038 20 30 BEEDLO C#CCC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000852541920 588689331 /nfs/dbraw/zinc/68/93/31/588689331.db2.gz FGCPXJXRWRXBFQ-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO C#CCC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000852541920 588689332 /nfs/dbraw/zinc/68/93/32/588689332.db2.gz FGCPXJXRWRXBFQ-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000852685028 588695720 /nfs/dbraw/zinc/69/57/20/588695720.db2.gz SXNPRHUMQUCNKD-KGLIPLIRSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000852685028 588695721 /nfs/dbraw/zinc/69/57/21/588695721.db2.gz SXNPRHUMQUCNKD-KGLIPLIRSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000852684866 588695767 /nfs/dbraw/zinc/69/57/67/588695767.db2.gz PTHOOXSNSLYZBJ-KGLIPLIRSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000852684866 588695768 /nfs/dbraw/zinc/69/57/68/588695768.db2.gz PTHOOXSNSLYZBJ-KGLIPLIRSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000852685727 588696026 /nfs/dbraw/zinc/69/60/26/588696026.db2.gz CPFPIJUGNTVQCT-OAHLLOKOSA-N 1 2 242.322 2.452 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000852685727 588696027 /nfs/dbraw/zinc/69/60/27/588696027.db2.gz CPFPIJUGNTVQCT-OAHLLOKOSA-N 1 2 242.322 2.452 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000852712476 588697305 /nfs/dbraw/zinc/69/73/05/588697305.db2.gz PVJRSXJOPNWSAU-NSHDSACASA-N 1 2 247.672 2.340 20 30 BEEDLO CCCCCCCNC(=O)Cc1c[nH+]cn1C ZINC000862356634 589202849 /nfs/dbraw/zinc/20/28/49/589202849.db2.gz GKWRCPGUKIOADF-UHFFFAOYSA-N 1 2 237.347 2.049 20 30 BEEDLO CCCCCCCNC(=O)CCn1cc[nH+]c1 ZINC000862359391 589203460 /nfs/dbraw/zinc/20/34/60/589203460.db2.gz LEQGHVRIKSWFNP-UHFFFAOYSA-N 1 2 237.347 2.360 20 30 BEEDLO Cc1cc(C(N)=[NH+]OC[C@H]2C[C@H]2C)ccc1F ZINC000863455429 589288875 /nfs/dbraw/zinc/28/88/75/589288875.db2.gz HMAQQCWFGHQISW-LDYMZIIASA-N 1 2 236.290 2.427 20 30 BEEDLO C[C@@H]1C[C@@H]1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000863453527 589288991 /nfs/dbraw/zinc/28/89/91/589288991.db2.gz ANSBPXKDNBVILM-PSASIEDQSA-N 1 2 222.263 2.119 20 30 BEEDLO C=CCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863479003 589292009 /nfs/dbraw/zinc/29/20/09/589292009.db2.gz ZGIFNADRSIZCQK-UHFFFAOYSA-N 1 2 212.293 2.020 20 30 BEEDLO N#CCC1C[NH+](Cc2ccc(F)c(F)c2O)C1 ZINC000864051679 589335299 /nfs/dbraw/zinc/33/52/99/589335299.db2.gz OYTPNCYTFGIFHI-UHFFFAOYSA-N 1 2 238.237 2.016 20 30 BEEDLO C=CCN1CC[C@H](n2c[nH+]c(C(C)(C)C)c2)C1=O ZINC000865376593 589428672 /nfs/dbraw/zinc/42/86/72/589428672.db2.gz VFHHINTYXANJRV-NSHDSACASA-N 1 2 247.342 2.140 20 30 BEEDLO C[C@H](O)c1ccc(N2CCC(CC#N)CC2)[nH+]c1 ZINC000865668153 589455475 /nfs/dbraw/zinc/45/54/75/589455475.db2.gz CRJQSRCMJSOPPX-NSHDSACASA-N 1 2 245.326 2.265 20 30 BEEDLO C[C@@H](O)c1ccc(NCC2(CC#N)CC2)[nH+]c1 ZINC000865751481 589460642 /nfs/dbraw/zinc/46/06/42/589460642.db2.gz NGKOQRWTAREIJA-SNVBAGLBSA-N 1 2 231.299 2.241 20 30 BEEDLO C[C@@H](O)c1ccc(N[C@@H]2CC[C@H](C#N)C2)[nH+]c1 ZINC000865890888 589467475 /nfs/dbraw/zinc/46/74/75/589467475.db2.gz ZGSMEBOXLMYCNY-JFGNBEQYSA-N 1 2 231.299 2.239 20 30 BEEDLO C#C[C@@H]1CCCN(c2cc(NCCC)[nH+]cn2)C1 ZINC000865915586 589468423 /nfs/dbraw/zinc/46/84/23/589468423.db2.gz FHMDMDFILUBERD-GFCCVEGCSA-N 1 2 244.342 2.148 20 30 BEEDLO C#C[C@@H]1CCCN(c2cc(NCCC)nc[nH+]2)C1 ZINC000865915586 589468424 /nfs/dbraw/zinc/46/84/24/589468424.db2.gz FHMDMDFILUBERD-GFCCVEGCSA-N 1 2 244.342 2.148 20 30 BEEDLO CSCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866216797 589481206 /nfs/dbraw/zinc/48/12/06/589481206.db2.gz IDMPYNPZZOZKQZ-VIFPVBQESA-N 1 2 236.340 2.277 20 30 BEEDLO C[C@@H]([NH2+][C@H]1CCCOC1)c1cccc(C#N)c1O ZINC000866260366 589483589 /nfs/dbraw/zinc/48/35/89/589483589.db2.gz DYQHXSVGAYRDDD-PWSUYJOCSA-N 1 2 246.310 2.093 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866688867 589512332 /nfs/dbraw/zinc/51/23/32/589512332.db2.gz BAQLSKFOHYWTDW-UHFFFAOYSA-N 1 2 238.718 2.216 20 30 BEEDLO C=C(Cl)C[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866688867 589512333 /nfs/dbraw/zinc/51/23/33/589512333.db2.gz BAQLSKFOHYWTDW-UHFFFAOYSA-N 1 2 238.718 2.216 20 30 BEEDLO C=C[C@H]([NH2+]CCC[C@H]1C=CCC1)C(=O)OC ZINC000871931786 589833547 /nfs/dbraw/zinc/83/35/47/589833547.db2.gz KVQWKRYJNNSCFL-RYUDHWBXSA-N 1 2 223.316 2.050 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872269400 589903046 /nfs/dbraw/zinc/90/30/46/589903046.db2.gz XXGMIEWFVBGXBB-QMMMGPOBSA-N 1 2 225.666 2.095 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872269400 589903048 /nfs/dbraw/zinc/90/30/48/589903048.db2.gz XXGMIEWFVBGXBB-QMMMGPOBSA-N 1 2 225.666 2.095 20 30 BEEDLO C(=NNC1CCCCC1)c1c[nH]c2nc[nH+]cc12 ZINC000872367701 589921885 /nfs/dbraw/zinc/92/18/85/589921885.db2.gz DYTRASOXJFRISZ-UHFFFAOYSA-N 1 2 243.314 2.166 20 30 BEEDLO Fc1cccc(N=NCc2cn(C3CC3)c[nH+]2)n1 ZINC000872374201 589924608 /nfs/dbraw/zinc/92/46/08/589924608.db2.gz WUJSVSAGADLCLI-UHFFFAOYSA-N 1 2 245.261 2.198 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNC[C@H]1CCCC1(F)F ZINC000872405341 589935414 /nfs/dbraw/zinc/93/54/14/589935414.db2.gz IFWFREKVRPZTRJ-SECBINFHSA-N 1 2 242.273 2.077 20 30 BEEDLO C=C(Br)C[NH2+][C@@H](C)c1cnccn1 ZINC000125077939 590117258 /nfs/dbraw/zinc/11/72/58/590117258.db2.gz VWNFJMWFUBKLFQ-QMMMGPOBSA-N 1 2 242.120 2.036 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1cc(OC)cnc1F ZINC000877149204 590292612 /nfs/dbraw/zinc/29/26/12/590292612.db2.gz HTVOQBOQOOAGCS-UHFFFAOYSA-N 1 2 230.670 2.071 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1cc(C2CC2)no1 ZINC000877149689 590292999 /nfs/dbraw/zinc/29/29/99/590292999.db2.gz QDGWHBHPCKZWCZ-UHFFFAOYSA-N 1 2 212.680 2.394 20 30 BEEDLO N#Cc1cnc(Cl)c(C[N@H+]2CC=CCC2)c1 ZINC000877168436 590295394 /nfs/dbraw/zinc/29/53/94/590295394.db2.gz UIWODFBBHBRIHO-UHFFFAOYSA-N 1 2 233.702 2.369 20 30 BEEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CC=CCC2)c1 ZINC000877168436 590295395 /nfs/dbraw/zinc/29/53/95/590295395.db2.gz UIWODFBBHBRIHO-UHFFFAOYSA-N 1 2 233.702 2.369 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000877321778 590316305 /nfs/dbraw/zinc/31/63/05/590316305.db2.gz RXBYAFYNUKJGHB-SSDOTTSWSA-N 1 2 227.670 2.123 20 30 BEEDLO C=CC[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877425476 590325364 /nfs/dbraw/zinc/32/53/64/590325364.db2.gz BJGACASMDOEQLW-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO C=CC[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877425476 590325366 /nfs/dbraw/zinc/32/53/66/590325366.db2.gz BJGACASMDOEQLW-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO N#CC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000878015806 590472011 /nfs/dbraw/zinc/47/20/11/590472011.db2.gz CZYARPNVKGXVQS-UHFFFAOYSA-N 1 2 245.326 2.289 20 30 BEEDLO COC(=O)c1cc(C[N@H+](C)CCC#N)ccc1C ZINC000878175525 590516697 /nfs/dbraw/zinc/51/66/97/590516697.db2.gz UTDJKUAKEYSJNJ-UHFFFAOYSA-N 1 2 246.310 2.127 20 30 BEEDLO COC(=O)c1cc(C[N@@H+](C)CCC#N)ccc1C ZINC000878175525 590516699 /nfs/dbraw/zinc/51/66/99/590516699.db2.gz UTDJKUAKEYSJNJ-UHFFFAOYSA-N 1 2 246.310 2.127 20 30 BEEDLO C=CC[N@@H+](C)Cc1ncccc1Br ZINC000878460587 590570223 /nfs/dbraw/zinc/57/02/23/590570223.db2.gz AITSDPXSSNNSGB-UHFFFAOYSA-N 1 2 241.132 2.462 20 30 BEEDLO C=CC[N@H+](C)Cc1ncccc1Br ZINC000878460587 590570225 /nfs/dbraw/zinc/57/02/25/590570225.db2.gz AITSDPXSSNNSGB-UHFFFAOYSA-N 1 2 241.132 2.462 20 30 BEEDLO C=CC[N@@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878461981 590572299 /nfs/dbraw/zinc/57/22/99/590572299.db2.gz QFZMCEXUGPBCIG-UHFFFAOYSA-N 1 2 248.355 2.161 20 30 BEEDLO C=CC[N@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878461981 590572302 /nfs/dbraw/zinc/57/23/02/590572302.db2.gz QFZMCEXUGPBCIG-UHFFFAOYSA-N 1 2 248.355 2.161 20 30 BEEDLO C#CC(C)(C)[N@H+](C)CC(=O)c1ccccc1F ZINC000878513430 590584403 /nfs/dbraw/zinc/58/44/03/590584403.db2.gz BDSYSUOATIKIOD-UHFFFAOYSA-N 1 2 233.286 2.352 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)CC(=O)c1ccccc1F ZINC000878513430 590584404 /nfs/dbraw/zinc/58/44/04/590584404.db2.gz BDSYSUOATIKIOD-UHFFFAOYSA-N 1 2 233.286 2.352 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1coc(C2CC2)n1 ZINC000878514276 590584494 /nfs/dbraw/zinc/58/44/94/590584494.db2.gz QQXYNKDUXFCUDD-UHFFFAOYSA-N 1 2 218.300 2.396 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000878514276 590584496 /nfs/dbraw/zinc/58/44/96/590584496.db2.gz QQXYNKDUXFCUDD-UHFFFAOYSA-N 1 2 218.300 2.396 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H]1CCC2(CCC2)O1 ZINC000878639237 590596891 /nfs/dbraw/zinc/59/68/91/590596891.db2.gz FJFACJMXIWCOJY-ZDUSSCGKSA-N 1 2 234.343 2.490 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CCC2(CCC2)O1 ZINC000878639237 590596893 /nfs/dbraw/zinc/59/68/93/590596893.db2.gz FJFACJMXIWCOJY-ZDUSSCGKSA-N 1 2 234.343 2.490 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1occc1C ZINC000878643272 590600200 /nfs/dbraw/zinc/60/02/00/590600200.db2.gz JXZKOFVVRIRHPM-NSHDSACASA-N 1 2 237.299 2.138 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1occc1C ZINC000878643272 590600201 /nfs/dbraw/zinc/60/02/01/590600201.db2.gz JXZKOFVVRIRHPM-NSHDSACASA-N 1 2 237.299 2.138 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccc(F)cc1C#N ZINC000878816339 590627319 /nfs/dbraw/zinc/62/73/19/590627319.db2.gz GLWADKDNRHHHHS-SECBINFHSA-N 1 2 217.247 2.089 20 30 BEEDLO C=CC[N@@H+](Cc1nocc1C)[C@@H](C)COC ZINC000878889965 590641570 /nfs/dbraw/zinc/64/15/70/590641570.db2.gz OQJXUUJJUJCUPS-NSHDSACASA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[N@H+](Cc1nocc1C)[C@@H](C)COC ZINC000878889965 590641568 /nfs/dbraw/zinc/64/15/68/590641568.db2.gz OQJXUUJJUJCUPS-NSHDSACASA-N 1 2 224.304 2.006 20 30 BEEDLO C#CCCCCC[NH2+][C@](C)(CCF)C(=O)OC ZINC000878952109 590660369 /nfs/dbraw/zinc/66/03/69/590660369.db2.gz UWURVDWNCZNCQD-CYBMUJFWSA-N 1 2 243.322 2.061 20 30 BEEDLO C#C[C@](C)(CC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000879073327 590693107 /nfs/dbraw/zinc/69/31/07/590693107.db2.gz COVYJLGHTPKRHP-CQSZACIVSA-N 1 2 245.326 2.044 20 30 BEEDLO Cc1oncc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000879309128 590732971 /nfs/dbraw/zinc/73/29/71/590732971.db2.gz DKYKQBQQCATVJM-PWSUYJOCSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1oncc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000879309128 590732974 /nfs/dbraw/zinc/73/29/74/590732974.db2.gz DKYKQBQQCATVJM-PWSUYJOCSA-N 1 2 219.288 2.107 20 30 BEEDLO C[N@H+](Cc1ccnc(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000879310666 590735423 /nfs/dbraw/zinc/73/54/23/590735423.db2.gz XWLJQXHZPRDLCE-VXGBXAGGSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1ccnc(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000879310666 590735426 /nfs/dbraw/zinc/73/54/26/590735426.db2.gz XWLJQXHZPRDLCE-VXGBXAGGSA-N 1 2 233.290 2.345 20 30 BEEDLO CCOC(C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)OCC ZINC000879310980 590735980 /nfs/dbraw/zinc/73/59/80/590735980.db2.gz LSTVEFQBEULTJM-VXGBXAGGSA-N 1 2 240.347 2.010 20 30 BEEDLO CCOC(C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)OCC ZINC000879310980 590735985 /nfs/dbraw/zinc/73/59/85/590735985.db2.gz LSTVEFQBEULTJM-VXGBXAGGSA-N 1 2 240.347 2.010 20 30 BEEDLO CCOC(C[N@H+](C)[C@@H]1CCC[C@H]1C#N)OCC ZINC000879310978 590735996 /nfs/dbraw/zinc/73/59/96/590735996.db2.gz LSTVEFQBEULTJM-NWDGAFQWSA-N 1 2 240.347 2.010 20 30 BEEDLO CCOC(C[N@@H+](C)[C@@H]1CCC[C@H]1C#N)OCC ZINC000879310978 590736001 /nfs/dbraw/zinc/73/60/01/590736001.db2.gz LSTVEFQBEULTJM-NWDGAFQWSA-N 1 2 240.347 2.010 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879634471 590839390 /nfs/dbraw/zinc/83/93/90/590839390.db2.gz SBMDYECPZAXPLJ-OAHLLOKOSA-N 1 2 245.322 2.092 20 30 BEEDLO CC#CC[N@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879634471 590839392 /nfs/dbraw/zinc/83/93/92/590839392.db2.gz SBMDYECPZAXPLJ-OAHLLOKOSA-N 1 2 245.322 2.092 20 30 BEEDLO Cc1csc([C@H]2CC[N@H+](CCC#N)C2)n1 ZINC000880010266 590908291 /nfs/dbraw/zinc/90/82/91/590908291.db2.gz UAYDJWBCDGLOJF-JTQLQIEISA-N 1 2 221.329 2.155 20 30 BEEDLO Cc1csc([C@H]2CC[N@@H+](CCC#N)C2)n1 ZINC000880010266 590908294 /nfs/dbraw/zinc/90/82/94/590908294.db2.gz UAYDJWBCDGLOJF-JTQLQIEISA-N 1 2 221.329 2.155 20 30 BEEDLO Cc1[nH+]cnc(NCC2(CC#N)CC2)c1C ZINC000882296607 591327568 /nfs/dbraw/zinc/32/75/68/591327568.db2.gz OKAIQAZBUXSTGX-UHFFFAOYSA-N 1 2 216.288 2.199 20 30 BEEDLO Cc1[nH+]cnc(N[C@@H]2CC[C@H](C#N)C2)c1C ZINC000882481909 591359601 /nfs/dbraw/zinc/35/96/01/591359601.db2.gz FPDMRTAHTIYYMY-WDEREUQCSA-N 1 2 216.288 2.198 20 30 BEEDLO C#CCOc1ccc(C[NH2+][C@H](C)C(F)F)cc1 ZINC000883407090 591651683 /nfs/dbraw/zinc/65/16/83/591651683.db2.gz KNZVSSKKCHXPBF-SNVBAGLBSA-N 1 2 239.265 2.442 20 30 BEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc[nH+]c(CC)n1 ZINC000884494886 591955939 /nfs/dbraw/zinc/95/59/39/591955939.db2.gz FXBGVTUZCBZSPJ-BXUZGUMPSA-N 1 2 247.342 2.432 20 30 BEEDLO CCc1nc(N2CCC[C@@H](CC#N)C2)cc[nH+]1 ZINC000884552972 591976294 /nfs/dbraw/zinc/97/62/94/591976294.db2.gz MQWUZSXEVOQFPP-NSHDSACASA-N 1 2 230.315 2.169 20 30 BEEDLO C=CC(C)(C)CC(=O)OCCc1c[nH+]cn1C ZINC000884648750 592002422 /nfs/dbraw/zinc/00/24/22/592002422.db2.gz GZMDDMBLFGNOFT-UHFFFAOYSA-N 1 2 236.315 2.108 20 30 BEEDLO CC1(C#N)C[NH+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886184146 592171852 /nfs/dbraw/zinc/17/18/52/592171852.db2.gz VFWXPMVFPVSMIK-NEPJUHHUSA-N 1 2 204.317 2.268 20 30 BEEDLO N#CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000219347707 592223291 /nfs/dbraw/zinc/22/32/91/592223291.db2.gz KSMLLCYXRGIVRM-UHFFFAOYSA-N 1 2 212.655 2.482 20 30 BEEDLO C=CCCCC(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000886619849 592277099 /nfs/dbraw/zinc/27/70/99/592277099.db2.gz SSOMVFSPIDFGRV-UHFFFAOYSA-N 1 2 247.342 2.144 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]\CC[C@H]2CCCO2)c1 ZINC000887272146 592474276 /nfs/dbraw/zinc/47/42/76/592474276.db2.gz HXILKDWERSEVTP-DYTQJMLRSA-N 1 2 249.310 2.389 20 30 BEEDLO COC[C@H]1C[C@@H](/[NH+]=C\c2ccccc2O)C1 ZINC000887270313 592474578 /nfs/dbraw/zinc/47/45/78/592474578.db2.gz LSNNPGRWZWDNEI-HKMNMRSMSA-N 1 2 219.284 2.236 20 30 BEEDLO CCCNc1cc(N2CCC(C#N)CC2)nc[nH+]1 ZINC000258631553 631562722 /nfs/dbraw/zinc/56/27/22/631562722.db2.gz DVYJBVMODPBPKC-UHFFFAOYSA-N 1 2 245.330 2.038 20 30 BEEDLO CCCNc1cc(N2CCC(C#N)CC2)[nH+]cn1 ZINC000258631553 631562726 /nfs/dbraw/zinc/56/27/26/631562726.db2.gz DVYJBVMODPBPKC-UHFFFAOYSA-N 1 2 245.330 2.038 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(C2CCC2)no1 ZINC000934460537 631848012 /nfs/dbraw/zinc/84/80/12/631848012.db2.gz QDASPWVEZVFBHH-LLVKDONJSA-N 1 2 233.315 2.488 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(C2CCC2)no1 ZINC000934460537 631848018 /nfs/dbraw/zinc/84/80/18/631848018.db2.gz QDASPWVEZVFBHH-LLVKDONJSA-N 1 2 233.315 2.488 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc2n1CCCCC2 ZINC000934463489 631856387 /nfs/dbraw/zinc/85/63/87/631856387.db2.gz JBCFBISUQZKKPX-GFCCVEGCSA-N 1 2 246.358 2.155 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc2n1CCCCC2 ZINC000934463489 631856391 /nfs/dbraw/zinc/85/63/91/631856391.db2.gz JBCFBISUQZKKPX-GFCCVEGCSA-N 1 2 246.358 2.155 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(CC(C)C)no1 ZINC000934471805 631867755 /nfs/dbraw/zinc/86/77/55/631867755.db2.gz NYJUGWCVVIVTJQ-NSHDSACASA-N 1 2 235.331 2.419 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(CC(C)C)no1 ZINC000934471805 631867761 /nfs/dbraw/zinc/86/77/61/631867761.db2.gz NYJUGWCVVIVTJQ-NSHDSACASA-N 1 2 235.331 2.419 20 30 BEEDLO Cc1cc(C[NH2+][C@H](C)CC#N)cc(Cl)n1 ZINC000308830097 631886191 /nfs/dbraw/zinc/88/61/91/631886191.db2.gz FVXVYQACRQJZAN-MRVPVSSYSA-N 1 2 223.707 2.435 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC000934515114 631897634 /nfs/dbraw/zinc/89/76/34/631897634.db2.gz PPDCKIHHBRXMQI-ZDUSSCGKSA-N 1 2 218.275 2.208 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC000934515114 631897641 /nfs/dbraw/zinc/89/76/41/631897641.db2.gz PPDCKIHHBRXMQI-ZDUSSCGKSA-N 1 2 218.275 2.208 20 30 BEEDLO CC[C@@H]([NH2+]C1CC1)c1cccc(C#N)c1O ZINC000924528814 632701672 /nfs/dbraw/zinc/70/16/72/632701672.db2.gz JRXWDHSCUZANMV-GFCCVEGCSA-N 1 2 216.284 2.467 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000293187007 633087126 /nfs/dbraw/zinc/08/71/26/633087126.db2.gz PYQFERURISCPLG-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000293187007 633087132 /nfs/dbraw/zinc/08/71/32/633087132.db2.gz PYQFERURISCPLG-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO N#CCC1(CO[NH+]=C(N)Cc2cccs2)CC1 ZINC000853667233 633861693 /nfs/dbraw/zinc/86/16/93/633861693.db2.gz VFHXPVXKWJRPPW-UHFFFAOYSA-N 1 2 249.339 2.483 20 30 BEEDLO C=C[C@H](CC)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000909524870 636165605 /nfs/dbraw/zinc/16/56/05/636165605.db2.gz KOKPNSCKUSDIAV-SNVBAGLBSA-N 1 2 234.299 2.309 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1csc(C#N)c1 ZINC000893607235 635230408 /nfs/dbraw/zinc/23/04/08/635230408.db2.gz WMYGJXKZJJGHRJ-JTQLQIEISA-N 1 2 219.313 2.402 20 30 BEEDLO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC000260229562 635314901 /nfs/dbraw/zinc/31/49/01/635314901.db2.gz WSBOATNXTQGVLU-NWDGAFQWSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1cccnc1)[N@H+]1CCC[C@H](C#N)C1 ZINC000260229562 635314908 /nfs/dbraw/zinc/31/49/08/635314908.db2.gz WSBOATNXTQGVLU-NWDGAFQWSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000260229566 635315048 /nfs/dbraw/zinc/31/50/48/635315048.db2.gz WSBOATNXTQGVLU-RYUDHWBXSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC000260229566 635315054 /nfs/dbraw/zinc/31/50/54/635315054.db2.gz WSBOATNXTQGVLU-RYUDHWBXSA-N 1 2 215.300 2.378 20 30 BEEDLO COc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000067647681 636757761 /nfs/dbraw/zinc/75/77/61/636757761.db2.gz OBOGZVANIAFARV-VOTSOKGWSA-N 1 2 228.251 2.314 20 30 BEEDLO Cc1[nH]c(/C=C2\C(=O)c3nccn3[C@@H]2C)[nH+]c1C ZINC000901566530 637260668 /nfs/dbraw/zinc/26/06/68/637260668.db2.gz UVQRWTJBFKKHEY-WPVMNKCKSA-N 1 2 242.282 2.064 20 30 BEEDLO N#Cc1c(F)cccc1OCc1ccc(N)[nH+]c1 ZINC000902309684 637292573 /nfs/dbraw/zinc/29/25/73/637292573.db2.gz UKFFTKKLZYBPKW-UHFFFAOYSA-N 1 2 243.241 2.254 20 30 BEEDLO C=CC(C)(C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904262564 637393230 /nfs/dbraw/zinc/39/32/30/637393230.db2.gz IOIRYQKDILBDIU-UHFFFAOYSA-N 1 2 244.298 2.486 20 30 BEEDLO C=CCCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272732 637395754 /nfs/dbraw/zinc/39/57/54/637395754.db2.gz XZKYVAJBFHMHMM-UHFFFAOYSA-N 1 2 230.271 2.141 20 30 BEEDLO c1cn(CCCNN=C2C[C@H]3CCC[C@@H]3C2)c[nH+]1 ZINC000905484367 637820832 /nfs/dbraw/zinc/82/08/32/637820832.db2.gz OQUCAEUGVUIJDM-CHWSQXEVSA-N 1 2 246.358 2.429 20 30 BEEDLO C=CC[C@@H]([NH2+][C@@H]1CC12CCCCC2)C(=O)OC ZINC000905762958 637918310 /nfs/dbraw/zinc/91/83/10/637918310.db2.gz PYVGIUXNQCKDKZ-VXGBXAGGSA-N 1 2 237.343 2.417 20 30 BEEDLO C=CC[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C(=O)OC ZINC000905768552 637923544 /nfs/dbraw/zinc/92/35/44/637923544.db2.gz TYBNTDOSKCRXSJ-VHSXEESVSA-N 1 2 247.285 2.272 20 30 BEEDLO CC[C@H](CC#N)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907389630 638371135 /nfs/dbraw/zinc/37/11/35/638371135.db2.gz SCRPBWZEVZCHGL-GFCCVEGCSA-N 1 2 245.326 2.429 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930704824 639871278 /nfs/dbraw/zinc/87/12/78/639871278.db2.gz NQQJXNBLBJALHQ-AWEZNQCLSA-N 1 2 246.354 2.185 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930704824 639871279 /nfs/dbraw/zinc/87/12/79/639871279.db2.gz NQQJXNBLBJALHQ-AWEZNQCLSA-N 1 2 246.354 2.185 20 30 BEEDLO Cc1cc(C)nc(C[NH2+][C@H](C)CC#N)c1 ZINC000930866077 639958891 /nfs/dbraw/zinc/95/88/91/639958891.db2.gz AVTZOIYBHPYEPC-SNVBAGLBSA-N 1 2 203.289 2.090 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000930887457 639973295 /nfs/dbraw/zinc/97/32/95/639973295.db2.gz XUGUISFABLTOMH-SNVBAGLBSA-N 1 2 236.265 2.205 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2c(F)cncc2F)C1 ZINC000930887457 639973302 /nfs/dbraw/zinc/97/33/02/639973302.db2.gz XUGUISFABLTOMH-SNVBAGLBSA-N 1 2 236.265 2.205 20 30 BEEDLO C[C@H](c1ncccn1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000930922920 639990925 /nfs/dbraw/zinc/99/09/25/639990925.db2.gz LTOZAUNXVVJNSO-VXGBXAGGSA-N 1 2 230.315 2.163 20 30 BEEDLO C[C@H](c1ncccn1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000930922920 639990930 /nfs/dbraw/zinc/99/09/30/639990930.db2.gz LTOZAUNXVVJNSO-VXGBXAGGSA-N 1 2 230.315 2.163 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)C1CC1 ZINC000930967558 640005379 /nfs/dbraw/zinc/00/53/79/640005379.db2.gz YPFQSSHPTBIOAG-LLVKDONJSA-N 1 2 237.343 2.062 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)C1CC1 ZINC000930967558 640005381 /nfs/dbraw/zinc/00/53/81/640005381.db2.gz YPFQSSHPTBIOAG-LLVKDONJSA-N 1 2 237.343 2.062 20 30 BEEDLO C=CCCC(C)(C)NC(=O)CNc1cccc[nH+]1 ZINC000912728029 640181258 /nfs/dbraw/zinc/18/12/58/640181258.db2.gz SLZZMAIDBJDJJY-UHFFFAOYSA-N 1 2 247.342 2.355 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)CCO1 ZINC000932342960 640483609 /nfs/dbraw/zinc/48/36/09/640483609.db2.gz CARORZDLGXJVDF-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)CCO1 ZINC000932342960 640483612 /nfs/dbraw/zinc/48/36/12/640483612.db2.gz CARORZDLGXJVDF-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)CCO1 ZINC000932343866 640486476 /nfs/dbraw/zinc/48/64/76/640486476.db2.gz UYAJAKAIUOQSPN-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)CCO1 ZINC000932343866 640486482 /nfs/dbraw/zinc/48/64/82/640486482.db2.gz UYAJAKAIUOQSPN-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C#CC[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000932393491 640520069 /nfs/dbraw/zinc/52/00/69/640520069.db2.gz WEJFMABXXGJTGP-UHFFFAOYSA-N 1 2 238.312 2.500 20 30 BEEDLO C#CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000932393491 640520075 /nfs/dbraw/zinc/52/00/75/640520075.db2.gz WEJFMABXXGJTGP-UHFFFAOYSA-N 1 2 238.312 2.500 20 30 BEEDLO C#CCC1([NH2+][C@@H](C)C(=O)OC(C)(C)C)CCC1 ZINC000933299613 640696436 /nfs/dbraw/zinc/69/64/36/640696436.db2.gz YPZNQMTZYNUVMC-NSHDSACASA-N 1 2 237.343 2.252 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)C2=CCCCCC2)C1 ZINC001030248098 640706358 /nfs/dbraw/zinc/70/63/58/640706358.db2.gz IRJKCFHKXZFDDG-UHFFFAOYSA-N 1 2 248.370 2.253 20 30 BEEDLO C=CC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933623469 640735746 /nfs/dbraw/zinc/73/57/46/640735746.db2.gz RCWXKBPZVGEDGM-CQSZACIVSA-N 1 2 228.295 2.118 20 30 BEEDLO C=CC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933623469 640735750 /nfs/dbraw/zinc/73/57/50/640735750.db2.gz RCWXKBPZVGEDGM-CQSZACIVSA-N 1 2 228.295 2.118 20 30 BEEDLO N#CC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000171080657 640954288 /nfs/dbraw/zinc/95/42/88/640954288.db2.gz ZDBVMOMQZPTUQI-UHFFFAOYSA-N 1 2 235.718 2.471 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000934469926 641163711 /nfs/dbraw/zinc/16/37/11/641163711.db2.gz KBZILHORHSVFEG-SNVBAGLBSA-N 1 2 219.288 2.097 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000934469926 641163713 /nfs/dbraw/zinc/16/37/13/641163713.db2.gz KBZILHORHSVFEG-SNVBAGLBSA-N 1 2 219.288 2.097 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc(C(C)C)o1 ZINC000934469758 641165399 /nfs/dbraw/zinc/16/53/99/641165399.db2.gz ZHEAHMHNHQIEGS-SNVBAGLBSA-N 1 2 221.304 2.343 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(C(C)C)o1 ZINC000934469758 641165406 /nfs/dbraw/zinc/16/54/06/641165406.db2.gz ZHEAHMHNHQIEGS-SNVBAGLBSA-N 1 2 221.304 2.343 20 30 BEEDLO C[C@]1(C2CC2)COCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000934476039 641166212 /nfs/dbraw/zinc/16/62/12/641166212.db2.gz RAURUNUMFDLBMP-CQSZACIVSA-N 1 2 246.310 2.152 20 30 BEEDLO C[C@]1(C2CC2)COCC[N@H+]1Cc1ccc(C#N)o1 ZINC000934476039 641166218 /nfs/dbraw/zinc/16/62/18/641166218.db2.gz RAURUNUMFDLBMP-CQSZACIVSA-N 1 2 246.310 2.152 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1ncc(CC)o1 ZINC000934512551 641179941 /nfs/dbraw/zinc/17/99/41/641179941.db2.gz QGLVPNJWPDFDKF-NSHDSACASA-N 1 2 218.300 2.225 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ncc(CC)o1 ZINC000934512551 641179944 /nfs/dbraw/zinc/17/99/44/641179944.db2.gz QGLVPNJWPDFDKF-NSHDSACASA-N 1 2 218.300 2.225 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000934515510 641184929 /nfs/dbraw/zinc/18/49/29/641184929.db2.gz VHFCHVWUCITZQO-SNVBAGLBSA-N 1 2 206.314 2.131 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nccs1 ZINC000934515510 641184932 /nfs/dbraw/zinc/18/49/32/641184932.db2.gz VHFCHVWUCITZQO-SNVBAGLBSA-N 1 2 206.314 2.131 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934570325 641199703 /nfs/dbraw/zinc/19/97/03/641199703.db2.gz DNAVQQYBLRUMGI-LERXQTSPSA-N 1 2 248.301 2.024 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934570325 641199710 /nfs/dbraw/zinc/19/97/10/641199710.db2.gz DNAVQQYBLRUMGI-LERXQTSPSA-N 1 2 248.301 2.024 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC)[C@H]1C ZINC000992930866 641679302 /nfs/dbraw/zinc/67/93/02/641679302.db2.gz JFJSJUNYIFSXDJ-MNOVXSKESA-N 1 2 244.766 2.118 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC)[C@H]1C ZINC000992930866 641679308 /nfs/dbraw/zinc/67/93/08/641679308.db2.gz JFJSJUNYIFSXDJ-MNOVXSKESA-N 1 2 244.766 2.118 20 30 BEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC000949666200 641851607 /nfs/dbraw/zinc/85/16/07/641851607.db2.gz SHGIKLZVWYVPCI-ZDUSSCGKSA-N 1 2 248.370 2.061 20 30 BEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccoc2)C1 ZINC000949674719 641852725 /nfs/dbraw/zinc/85/27/25/641852725.db2.gz VGCDBKYKLOGNNR-UHFFFAOYSA-N 1 2 248.326 2.002 20 30 BEEDLO C=CC[N@H+](Cc1nc(C2CC2)no1)C(C)C ZINC000917069172 642002545 /nfs/dbraw/zinc/00/25/45/642002545.db2.gz JNYVSJRPZDLVNF-UHFFFAOYSA-N 1 2 221.304 2.343 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C2CC2)no1)C(C)C ZINC000917069172 642002550 /nfs/dbraw/zinc/00/25/50/642002550.db2.gz JNYVSJRPZDLVNF-UHFFFAOYSA-N 1 2 221.304 2.343 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(CC)o1)C(C)C ZINC000917071532 642003684 /nfs/dbraw/zinc/00/36/84/642003684.db2.gz UXTLDOHSFYSUJN-UHFFFAOYSA-N 1 2 209.293 2.028 20 30 BEEDLO C=CC[N@H+](Cc1nnc(CC)o1)C(C)C ZINC000917071532 642003688 /nfs/dbraw/zinc/00/36/88/642003688.db2.gz UXTLDOHSFYSUJN-UHFFFAOYSA-N 1 2 209.293 2.028 20 30 BEEDLO COc1cccc(C[N@H+](CCC#N)CC(C)C)n1 ZINC000070093665 642967513 /nfs/dbraw/zinc/96/75/13/642967513.db2.gz GSTJALGVWVBQHC-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO COc1cccc(C[N@@H+](CCC#N)CC(C)C)n1 ZINC000070093665 642967521 /nfs/dbraw/zinc/96/75/21/642967521.db2.gz GSTJALGVWVBQHC-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO C=C(C)C[N@H+](C)Cn1c2cc(C)ccc2oc1=O ZINC000182622898 643041906 /nfs/dbraw/zinc/04/19/06/643041906.db2.gz RLRWUXDKEBEGFC-UHFFFAOYSA-N 1 2 246.310 2.368 20 30 BEEDLO C=C(C)C[N@@H+](C)Cn1c2cc(C)ccc2oc1=O ZINC000182622898 643041913 /nfs/dbraw/zinc/04/19/13/643041913.db2.gz RLRWUXDKEBEGFC-UHFFFAOYSA-N 1 2 246.310 2.368 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000306332080 643316664 /nfs/dbraw/zinc/31/66/64/643316664.db2.gz DJTHYADQJHSZJV-GUBZILKMSA-N 1 2 203.713 2.237 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000306332080 643316669 /nfs/dbraw/zinc/31/66/69/643316669.db2.gz DJTHYADQJHSZJV-GUBZILKMSA-N 1 2 203.713 2.237 20 30 BEEDLO C=C(Br)C[N@@H+]1CCOCC2(CC2)C1 ZINC000307723923 643612352 /nfs/dbraw/zinc/61/23/52/643612352.db2.gz WODJDMMDCCLZRF-UHFFFAOYSA-N 1 2 246.148 2.007 20 30 BEEDLO C=C(Br)C[N@H+]1CCOCC2(CC2)C1 ZINC000307723923 643612359 /nfs/dbraw/zinc/61/23/59/643612359.db2.gz WODJDMMDCCLZRF-UHFFFAOYSA-N 1 2 246.148 2.007 20 30 BEEDLO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cocn1 ZINC000921716972 643761551 /nfs/dbraw/zinc/76/15/51/643761551.db2.gz YNTMVVOVLNTJMB-UHFFFAOYSA-N 1 2 241.294 2.453 20 30 BEEDLO C#CCCCCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922595079 644039860 /nfs/dbraw/zinc/03/98/60/644039860.db2.gz KJVDXYPCBBTLPA-UHFFFAOYSA-N 1 2 246.310 2.291 20 30 BEEDLO C=CCC(C)(C)C(=O)OCc1ccc[nH+]c1N ZINC000922757349 644087275 /nfs/dbraw/zinc/08/72/75/644087275.db2.gz FFFLYRVZOYVMGC-UHFFFAOYSA-N 1 2 234.299 2.309 20 30 BEEDLO C=C1CCC(C(=O)OCc2ccc(N)[nH+]c2)CC1 ZINC000922940517 644193175 /nfs/dbraw/zinc/19/31/75/644193175.db2.gz BTXQBLQGANTAFK-UHFFFAOYSA-N 1 2 246.310 2.453 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)C(C)(CC)CC)CC1 ZINC000957704677 644749087 /nfs/dbraw/zinc/74/90/87/644749087.db2.gz WBFGILBYUDNGJA-UHFFFAOYSA-N 1 2 238.375 2.143 20 30 BEEDLO CC(C)(CC#N)C[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000414163957 644854781 /nfs/dbraw/zinc/85/47/81/644854781.db2.gz JOHYQBXNCFYEKB-NSHDSACASA-N 1 2 232.331 2.317 20 30 BEEDLO C#CC[N@@H+](CCC1CC1)CC(=O)OC(C)(C)C ZINC000852425123 645478008 /nfs/dbraw/zinc/47/80/08/645478008.db2.gz NOVQHZGAXCPOHM-UHFFFAOYSA-N 1 2 237.343 2.063 20 30 BEEDLO C#CC[N@H+](CCC1CC1)CC(=O)OC(C)(C)C ZINC000852425123 645478021 /nfs/dbraw/zinc/47/80/21/645478021.db2.gz NOVQHZGAXCPOHM-UHFFFAOYSA-N 1 2 237.343 2.063 20 30 BEEDLO C#CC[N@@H+](Cc1c(OC)cccc1OC)C1CC1 ZINC000877371413 645792585 /nfs/dbraw/zinc/79/25/85/645792585.db2.gz GVORCHQZPKVKPL-UHFFFAOYSA-N 1 2 245.322 2.301 20 30 BEEDLO C#CC[N@H+](Cc1c(OC)cccc1OC)C1CC1 ZINC000877371413 645792596 /nfs/dbraw/zinc/79/25/96/645792596.db2.gz GVORCHQZPKVKPL-UHFFFAOYSA-N 1 2 245.322 2.301 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](C)c1cc(OC)no1 ZINC000925438155 646284051 /nfs/dbraw/zinc/28/40/51/646284051.db2.gz VHYKDCJUXVNVLT-SSDOTTSWSA-N 1 2 216.668 2.086 20 30 BEEDLO C=CCCO[NH+]=C(N)Cc1ccccc1 ZINC000156948104 712721818 /nfs/dbraw/zinc/72/18/18/712721818.db2.gz XRFPJHACBROXLO-UHFFFAOYSA-N 1 2 204.273 2.094 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1c(O)cccc1F ZINC000903109607 710892139 /nfs/dbraw/zinc/89/21/39/710892139.db2.gz SNRUZCXNUOUGMJ-SECBINFHSA-N 1 2 234.274 2.486 20 30 BEEDLO C#CC[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC000845480371 711483980 /nfs/dbraw/zinc/48/39/80/711483980.db2.gz AHJAPISAHUYSOF-STQMWFEESA-N 1 2 248.326 2.425 20 30 BEEDLO Cn1cc(C[NH2+]CCC#N)c(C2CCCCC2)n1 ZINC000425957876 711763481 /nfs/dbraw/zinc/76/34/81/711763481.db2.gz DHBZPENWDFBJBG-UHFFFAOYSA-N 1 2 246.358 2.471 20 30 BEEDLO C#CC[C@@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895079234 711776166 /nfs/dbraw/zinc/77/61/66/711776166.db2.gz WDHBGHXIYDQWMO-CYBMUJFWSA-N 1 2 231.343 2.262 20 30 BEEDLO C#CC[C@@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895079234 711776167 /nfs/dbraw/zinc/77/61/67/711776167.db2.gz WDHBGHXIYDQWMO-CYBMUJFWSA-N 1 2 231.343 2.262 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cccc(OC)c1F ZINC000897166970 711784624 /nfs/dbraw/zinc/78/46/24/711784624.db2.gz FUMCWLKGNKOTEI-UHFFFAOYSA-N 1 2 221.275 2.289 20 30 BEEDLO CC#CC[N@H+](C)Cc1cccc(OC)c1F ZINC000897166970 711784626 /nfs/dbraw/zinc/78/46/26/711784626.db2.gz FUMCWLKGNKOTEI-UHFFFAOYSA-N 1 2 221.275 2.289 20 30 BEEDLO C#CC[N@H+](Cc1cc(F)ncc1F)C(C)C ZINC000897170529 711784883 /nfs/dbraw/zinc/78/48/83/711784883.db2.gz AJHUOZURULQNEW-UHFFFAOYSA-N 1 2 224.254 2.203 20 30 BEEDLO C#CC[N@@H+](Cc1cc(F)ncc1F)C(C)C ZINC000897170529 711784885 /nfs/dbraw/zinc/78/48/85/711784885.db2.gz AJHUOZURULQNEW-UHFFFAOYSA-N 1 2 224.254 2.203 20 30 BEEDLO C=C[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708391027 712192111 /nfs/dbraw/zinc/19/21/11/712192111.db2.gz SNRNAURTWDQHHM-SSDOTTSWSA-N 1 2 213.227 2.335 20 30 BEEDLO CC(=[NH+]OC1CCCC1)c1csc(N)n1 ZINC000379991706 712644947 /nfs/dbraw/zinc/64/49/47/712644947.db2.gz XXELICOPKFCKBR-UHFFFAOYSA-N 1 2 225.317 2.239 20 30 BEEDLO C=CCCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931143539 712713785 /nfs/dbraw/zinc/71/37/85/712713785.db2.gz XADDEFVSYCHOIJ-NSHDSACASA-N 1 2 220.320 2.298 20 30 BEEDLO C=CCCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931143539 712713786 /nfs/dbraw/zinc/71/37/86/712713786.db2.gz XADDEFVSYCHOIJ-NSHDSACASA-N 1 2 220.320 2.298 20 30 BEEDLO C#CCC1([NH2+]Cc2noc(C(C)C)n2)CCC1 ZINC000933301092 958350404 /nfs/dbraw/zinc/35/04/04/958350404.db2.gz KEGQSEHTSFOQGY-UHFFFAOYSA-N 1 2 233.315 2.229 20 30 BEEDLO Cc1nc(C#N)cc(NC(=[NH2+])C(C)(C)C)n1 ZINC001155181410 963007752 /nfs/dbraw/zinc/00/77/52/963007752.db2.gz IGQNCNNKZAETHI-UHFFFAOYSA-N 1 2 217.276 2.092 20 30 BEEDLO N#CCCCCNc1[nH+]cccc1CC#N ZINC001168428270 965466902 /nfs/dbraw/zinc/46/69/02/965466902.db2.gz XWEXEYHJSXHXIC-UHFFFAOYSA-N 1 2 214.272 2.253 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cncc(Cl)n1 ZINC001233449424 965502747 /nfs/dbraw/zinc/50/27/47/965502747.db2.gz DDMHATSADCAQQG-UHFFFAOYSA-N 1 2 223.707 2.304 20 30 BEEDLO N#Cc1ccc(CCn2cc[nH+]c2)cc1F ZINC001250316209 967676128 /nfs/dbraw/zinc/67/61/28/967676128.db2.gz DGUOPPXBLGVTFL-UHFFFAOYSA-N 1 2 215.231 2.137 20 30 BEEDLO CC1(C[N@@H+]2CCCC[C@@H]2C#N)CCOCC1 ZINC001207968527 968964997 /nfs/dbraw/zinc/96/49/97/968964997.db2.gz ALAJIASHCKIIRO-GFCCVEGCSA-N 1 2 222.332 2.181 20 30 BEEDLO CC1(C[N@H+]2CCCC[C@@H]2C#N)CCOCC1 ZINC001207968527 968965002 /nfs/dbraw/zinc/96/50/02/968965002.db2.gz ALAJIASHCKIIRO-GFCCVEGCSA-N 1 2 222.332 2.181 20 30 BEEDLO C#CC[N@@H+](Cc1nccn1C(F)F)CC1CC1 ZINC001253563054 969233335 /nfs/dbraw/zinc/23/33/35/969233335.db2.gz KINFTLSHIVSJGT-UHFFFAOYSA-N 1 2 239.269 2.123 20 30 BEEDLO C#CC[N@H+](Cc1nccn1C(F)F)CC1CC1 ZINC001253563054 969233346 /nfs/dbraw/zinc/23/33/46/969233346.db2.gz KINFTLSHIVSJGT-UHFFFAOYSA-N 1 2 239.269 2.123 20 30 BEEDLO CCC(C#N)(CC)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006348 969328906 /nfs/dbraw/zinc/32/89/06/969328906.db2.gz XPVGQHGGWGBGKE-WDEREUQCSA-N 1 2 239.319 2.104 20 30 BEEDLO COC1CCC(C[N@@H+]2CCC[C@H]2C#N)CC1 ZINC001209392902 969462105 /nfs/dbraw/zinc/46/21/05/969462105.db2.gz MKAVKKOJAAMGBI-CPCZMJQVSA-N 1 2 222.332 2.180 20 30 BEEDLO COC1CCC(C[N@H+]2CCC[C@H]2C#N)CC1 ZINC001209392902 969462110 /nfs/dbraw/zinc/46/21/10/969462110.db2.gz MKAVKKOJAAMGBI-CPCZMJQVSA-N 1 2 222.332 2.180 20 30 BEEDLO COc1cc(C#N)ccc1Nc1ccc(N)[nH+]c1 ZINC000129779384 1166442483 /nfs/dbraw/zinc/44/24/83/1166442483.db2.gz SGBJBOXFLQANPD-UHFFFAOYSA-N 1 2 240.266 2.288 20 30 BEEDLO C[C@@H]1CCC[C@@H](CC[NH+]2CC(O)(CC#N)C2)C1 ZINC001169630458 969794639 /nfs/dbraw/zinc/79/46/39/969794639.db2.gz UNZVLEJQRMIKIQ-OLZOCXBDSA-N 1 2 236.359 2.163 20 30 BEEDLO C=CCN1CC[NH+]([C@@H](C)CC(F)(F)F)CC1 ZINC001255651175 970431247 /nfs/dbraw/zinc/43/12/47/970431247.db2.gz AKKHPZIVPAKOFF-JTQLQIEISA-N 1 2 236.281 2.131 20 30 BEEDLO C=CCN1CC[NH+]([C@H](C)CC(F)(F)F)CC1 ZINC001255651177 970433744 /nfs/dbraw/zinc/43/37/44/970433744.db2.gz AKKHPZIVPAKOFF-SNVBAGLBSA-N 1 2 236.281 2.131 20 30 BEEDLO CC[C@@H]1C[C@H]([NH2+][C@](C)(C#N)C(C)C)CCO1 ZINC001170168593 970541553 /nfs/dbraw/zinc/54/15/53/970541553.db2.gz JHKCQIXWDICKGK-JHJVBQTASA-N 1 2 224.348 2.472 20 30 BEEDLO N#CCC[NH2+]Cc1sccc1Cl ZINC000336634807 1166801549 /nfs/dbraw/zinc/80/15/49/1166801549.db2.gz MLYURJQCGJCCME-UHFFFAOYSA-N 1 2 200.694 2.405 20 30 BEEDLO CCCC[C@H](CC)CN1CC[NH2+]C[C@@H]1C#N ZINC000085805125 1167077955 /nfs/dbraw/zinc/07/79/55/1167077955.db2.gz WSHPJNQPRRGNPL-STQMWFEESA-N 1 2 223.364 2.000 20 30 BEEDLO CC[C@](C)(C#N)[NH2+][C@H](C)CCCCC(=O)OC ZINC001173454067 975395693 /nfs/dbraw/zinc/39/56/93/975395693.db2.gz PLYIUMVBDHZBGG-DGCLKSJQSA-N 1 2 240.347 2.390 20 30 BEEDLO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C(C)(C)C#N)C1 ZINC001173625713 975491553 /nfs/dbraw/zinc/49/15/53/975491553.db2.gz DYCROXWVCMCGNH-MNOVXSKESA-N 1 2 238.331 2.000 20 30 BEEDLO N#CCCCCNc1ccc(CC#N)c[nH+]1 ZINC001168427467 1167705546 /nfs/dbraw/zinc/70/55/46/1167705546.db2.gz KLWXAVAYBQQSHJ-UHFFFAOYSA-N 1 2 214.272 2.253 20 30 BEEDLO C[N@H+](Cc1cc(C#N)ccc1O)C(C)(C)C ZINC001232676496 978245063 /nfs/dbraw/zinc/24/50/63/978245063.db2.gz KMNAMWAYBCAMKM-UHFFFAOYSA-N 1 2 218.300 2.494 20 30 BEEDLO C[N@@H+](Cc1cc(C#N)ccc1O)C(C)(C)C ZINC001232676496 978245074 /nfs/dbraw/zinc/24/50/74/978245074.db2.gz KMNAMWAYBCAMKM-UHFFFAOYSA-N 1 2 218.300 2.494 20 30 BEEDLO C#CC[C@H]1CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001337253681 978247316 /nfs/dbraw/zinc/24/73/16/978247316.db2.gz OVFMJXXQUAICJE-NSHDSACASA-N 1 2 218.275 2.379 20 30 BEEDLO C=CCCCCCN(C)C(=O)C[C@H]([NH3+])C(F)F ZINC001339951837 978947208 /nfs/dbraw/zinc/94/72/08/978947208.db2.gz NENXWQNGJZIJFY-JTQLQIEISA-N 1 2 248.317 2.174 20 30 BEEDLO CNc1ccc(Nc2ccc(O)c(C#N)c2)c[nH+]1 ZINC001203458353 1168281278 /nfs/dbraw/zinc/28/12/78/1168281278.db2.gz LNABAAKJPRCSKC-UHFFFAOYSA-N 1 2 240.266 2.444 20 30 BEEDLO CC[N@H+](CCC#N)CC1OC=CC1=S ZINC001237179388 979828541 /nfs/dbraw/zinc/82/85/41/979828541.db2.gz PVDXYJOYMGQUAF-UHFFFAOYSA-N 1 2 210.302 2.304 20 30 BEEDLO CC[N@@H+](CCC#N)CC1OC=CC1=S ZINC001237179388 979828545 /nfs/dbraw/zinc/82/85/45/979828545.db2.gz PVDXYJOYMGQUAF-UHFFFAOYSA-N 1 2 210.302 2.304 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(F)c(O)c(Cl)c1 ZINC001237994555 980123646 /nfs/dbraw/zinc/12/36/46/980123646.db2.gz FLILVNFYLJXJDY-UHFFFAOYSA-N 1 2 227.666 2.250 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(F)c(O)c(Cl)c1 ZINC001237994555 980123657 /nfs/dbraw/zinc/12/36/57/980123657.db2.gz FLILVNFYLJXJDY-UHFFFAOYSA-N 1 2 227.666 2.250 20 30 BEEDLO C#CC[N@@H+](C)Cc1cnc(F)c(OC(C)C)c1 ZINC001238598766 980294984 /nfs/dbraw/zinc/29/49/84/980294984.db2.gz FDQOMVSKPPXTOS-UHFFFAOYSA-N 1 2 236.290 2.073 20 30 BEEDLO C#CC[N@H+](C)Cc1cnc(F)c(OC(C)C)c1 ZINC001238598766 980294988 /nfs/dbraw/zinc/29/49/88/980294988.db2.gz FDQOMVSKPPXTOS-UHFFFAOYSA-N 1 2 236.290 2.073 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(C)cnc1SC ZINC001238717438 980313760 /nfs/dbraw/zinc/31/37/60/980313760.db2.gz UDNZCEBFUAKPSD-UHFFFAOYSA-N 1 2 220.341 2.177 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(C)cnc1SC ZINC001238717438 980313763 /nfs/dbraw/zinc/31/37/63/980313763.db2.gz UDNZCEBFUAKPSD-UHFFFAOYSA-N 1 2 220.341 2.177 20 30 BEEDLO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C#N)CC(C)C)C1 ZINC001172923134 1168684533 /nfs/dbraw/zinc/68/45/33/1168684533.db2.gz LSUZFYRTTNJJPL-YNEHKIRRSA-N 1 2 224.348 2.472 20 30 BEEDLO C[C@@H](C#N)[N@H+](C)C1CCC(CC#N)CC1 ZINC001173337104 1168686959 /nfs/dbraw/zinc/68/69/59/1168686959.db2.gz ZMKTWSDNBGYTDE-UNXYVOJBSA-N 1 2 205.305 2.303 20 30 BEEDLO C[C@@H](C#N)[N@@H+](C)C1CCC(CC#N)CC1 ZINC001173337104 1168686968 /nfs/dbraw/zinc/68/69/68/1168686968.db2.gz ZMKTWSDNBGYTDE-UNXYVOJBSA-N 1 2 205.305 2.303 20 30 BEEDLO C=CCC(CC=C)OCc1c[nH+]cn1C ZINC001222595260 972591115 /nfs/dbraw/zinc/59/11/15/972591115.db2.gz VFSLFEYVPUGMIV-UHFFFAOYSA-N 1 2 206.289 2.458 20 30 BEEDLO C#Cc1cc(Nc2c(F)ccc(C)c2O)cc[nH+]1 ZINC001215736107 970819645 /nfs/dbraw/zinc/81/96/45/970819645.db2.gz QETIITZHRKNOLS-UHFFFAOYSA-N 1 2 242.253 2.382 20 30 BEEDLO C#Cc1cc(Nc2cccc(O)c2C)cc[nH+]1 ZINC001216317026 971033836 /nfs/dbraw/zinc/03/38/36/971033836.db2.gz DDTLUZHPCSSUOI-UHFFFAOYSA-N 1 2 224.263 2.242 20 30 BEEDLO CC[C@@H](C#N)[NH2+]C1CCC(CC(=O)OC)CC1 ZINC001256979876 971058967 /nfs/dbraw/zinc/05/89/67/971058967.db2.gz XWDGMEUMRRMMSG-CXQJBGSLSA-N 1 2 238.331 2.000 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001257074669 971089648 /nfs/dbraw/zinc/08/96/48/971089648.db2.gz SDVSPWJZVDEKON-WZRBSPASSA-N 1 2 224.348 2.470 20 30 BEEDLO C[C@@H]1CC([NH2+]C2(C#N)CCCC2)C[C@@H](C)O1 ZINC001257078044 971092615 /nfs/dbraw/zinc/09/26/15/971092615.db2.gz UJURRKJGJRXQCS-GHMZBOCLSA-N 1 2 222.332 2.368 20 30 BEEDLO C#Cc1cc(Nc2cc(C)cc(C#N)c2)cc[nH+]1 ZINC001210387896 1169527466 /nfs/dbraw/zinc/52/74/66/1169527466.db2.gz VIMPALKAHFMGHR-UHFFFAOYSA-N 1 2 233.274 2.409 20 30 BEEDLO CCC(CC)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001257297196 971184313 /nfs/dbraw/zinc/18/43/13/971184313.db2.gz VFLUMIFXWRHYAD-NSHDSACASA-N 1 2 225.357 2.449 20 30 BEEDLO CCC(CC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257297196 971184320 /nfs/dbraw/zinc/18/43/20/971184320.db2.gz VFLUMIFXWRHYAD-NSHDSACASA-N 1 2 225.357 2.449 20 30 BEEDLO CCC(CC)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257297196 971184327 /nfs/dbraw/zinc/18/43/27/971184327.db2.gz VFLUMIFXWRHYAD-NSHDSACASA-N 1 2 225.357 2.449 20 30 BEEDLO CCC(CC)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257297196 971184332 /nfs/dbraw/zinc/18/43/32/971184332.db2.gz VFLUMIFXWRHYAD-NSHDSACASA-N 1 2 225.357 2.449 20 30 BEEDLO CCCC[C@H](CC)[NH2+][C@@H](CS)C(=O)OCC ZINC001257409469 971304788 /nfs/dbraw/zinc/30/47/88/971304788.db2.gz JWBZAYPPIZTDHC-QWRGUYRKSA-N 1 2 247.404 2.406 20 30 BEEDLO CCCCC[C@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001257501686 971418717 /nfs/dbraw/zinc/41/87/17/971418717.db2.gz KTHSSCFUXLWRQY-UWVGGRQHSA-N 1 2 233.377 2.016 20 30 BEEDLO C#C[C@](C)(CC)Nc1nc(C)[nH+]c2c1CCC2 ZINC001158742589 971422765 /nfs/dbraw/zinc/42/27/65/971422765.db2.gz ILHSSZWAASNWRI-CQSZACIVSA-N 1 2 229.327 2.488 20 30 BEEDLO COc1cc2c(cc1C[NH2+]CCC#N)O[C@H](C)C2 ZINC000105772542 971490771 /nfs/dbraw/zinc/49/07/71/971490771.db2.gz HOEMSNRWXJGFNL-SNVBAGLBSA-N 1 2 246.310 2.022 20 30 BEEDLO CC(C)C[C@@H](C#N)[NH2+]C1CCC2(COC2)CC1 ZINC001257900477 971534124 /nfs/dbraw/zinc/53/41/24/971534124.db2.gz CDWUUHAQDCFQKU-ZDUSSCGKSA-N 1 2 236.359 2.473 20 30 BEEDLO N#C[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172230342 974469883 /nfs/dbraw/zinc/46/98/83/974469883.db2.gz VAIFNNMTOGYEIP-WODVXLOZSA-N 1 2 220.316 2.074 20 30 BEEDLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000705284469 957074919 /nfs/dbraw/zinc/07/49/19/957074919.db2.gz CCXILWNJJAXNEC-YGRLFVJLSA-N 1 2 248.301 2.043 20 30 BEEDLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000705284469 957074928 /nfs/dbraw/zinc/07/49/28/957074928.db2.gz CCXILWNJJAXNEC-YGRLFVJLSA-N 1 2 248.301 2.043 20 30 BEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)CCCC ZINC001266378357 957413335 /nfs/dbraw/zinc/41/33/35/957413335.db2.gz ZAVGZKNOFDVOOW-UHFFFAOYSA-N 1 2 246.782 2.367 20 30 BEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)CCCC ZINC001266378357 957413355 /nfs/dbraw/zinc/41/33/55/957413355.db2.gz ZAVGZKNOFDVOOW-UHFFFAOYSA-N 1 2 246.782 2.367 20 30 BEEDLO Cc1c[nH+]c(Nc2cnc(C#N)c(C)c2)c(N)c1 ZINC001210203486 957668059 /nfs/dbraw/zinc/66/80/59/957668059.db2.gz CIIVVIVKJJUMRV-UHFFFAOYSA-N 1 2 239.282 2.291 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000308264531 958367277 /nfs/dbraw/zinc/36/72/77/958367277.db2.gz PEMAXQNVVHCWDC-JGVFFNPUSA-N 1 2 221.131 2.272 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000308264531 958367294 /nfs/dbraw/zinc/36/72/94/958367294.db2.gz PEMAXQNVVHCWDC-JGVFFNPUSA-N 1 2 221.131 2.272 20 30 BEEDLO Cc1c[nH+]c(Nc2cnc(C#N)c(F)c2)c(N)c1 ZINC001203050509 960447810 /nfs/dbraw/zinc/44/78/10/960447810.db2.gz UUPQLCDDDNHGSZ-UHFFFAOYSA-N 1 2 243.245 2.122 20 30 BEEDLO COc1ccc(C[N@@H+]2CC[C@H](C#N)C2)c(C)c1 ZINC001140677046 960485240 /nfs/dbraw/zinc/48/52/40/960485240.db2.gz XDMMZGGIGXEFMF-GFCCVEGCSA-N 1 2 230.311 2.349 20 30 BEEDLO COc1ccc(C[N@H+]2CC[C@H](C#N)C2)c(C)c1 ZINC001140677046 960485251 /nfs/dbraw/zinc/48/52/51/960485251.db2.gz XDMMZGGIGXEFMF-GFCCVEGCSA-N 1 2 230.311 2.349 20 30 BEEDLO N#Cc1c(F)cc(C[NH+]2CCC2)cc1F ZINC001140751008 960554836 /nfs/dbraw/zinc/55/48/36/960554836.db2.gz GOIFEMDOMIIMMI-UHFFFAOYSA-N 1 2 208.211 2.042 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(O)cc(Cl)c1 ZINC001140791016 960582509 /nfs/dbraw/zinc/58/25/09/960582509.db2.gz WKMPSUXESNCEKD-UHFFFAOYSA-N 1 2 233.698 2.114 20 30 BEEDLO CC[N@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143163690 961897391 /nfs/dbraw/zinc/89/73/91/961897391.db2.gz KDVIIZQOCWLGHT-UHFFFAOYSA-N 1 2 210.227 2.288 20 30 BEEDLO CC[N@@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143163690 961897396 /nfs/dbraw/zinc/89/73/96/961897396.db2.gz KDVIIZQOCWLGHT-UHFFFAOYSA-N 1 2 210.227 2.288 20 30 BEEDLO CCCCN(CC#N)Cc1ccc(C)[nH+]c1N ZINC001143208248 961944776 /nfs/dbraw/zinc/94/47/76/961944776.db2.gz DVZKFYIKUVEJJE-UHFFFAOYSA-N 1 2 232.331 2.098 20 30 BEEDLO C#Cc1cc(Nc2ccc3c(c2)OCC3)cc[nH+]1 ZINC001206647940 962602487 /nfs/dbraw/zinc/60/24/87/962602487.db2.gz GNONUQMGUIJWEV-UHFFFAOYSA-N 1 2 236.274 2.163 20 30 BEEDLO CC(C)[NH+]1CC(Oc2ccc(C#N)cc2F)C1 ZINC001226049821 963001423 /nfs/dbraw/zinc/00/14/23/963001423.db2.gz IZRINCGPVYJCOU-UHFFFAOYSA-N 1 2 234.274 2.169 20 30 BEEDLO C=C(C)CNc1cc(N(CC)CC)nc[nH+]1 ZINC001155660759 963145442 /nfs/dbraw/zinc/14/54/42/963145442.db2.gz KVYVYBBNTARPSS-UHFFFAOYSA-N 1 2 220.320 2.311 20 30 BEEDLO C=C(C)CNc1cc(N(CC)CC)[nH+]cn1 ZINC001155660759 963145448 /nfs/dbraw/zinc/14/54/48/963145448.db2.gz KVYVYBBNTARPSS-UHFFFAOYSA-N 1 2 220.320 2.311 20 30 BEEDLO CCOc1ccnc(C[NH2+][C@H](CC)CC#N)c1 ZINC001255160549 1169822518 /nfs/dbraw/zinc/82/25/18/1169822518.db2.gz LGVTYZDRYLQESB-LLVKDONJSA-N 1 2 233.315 2.262 20 30 BEEDLO N#CCc1cc[nH+]c(N2CCC[C@@H]3C[C@@H]32)c1 ZINC001157142710 963543616 /nfs/dbraw/zinc/54/36/16/963543616.db2.gz FHKVFVINGZEYSA-NEPJUHHUSA-N 1 2 213.284 2.136 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168073282 963607139 /nfs/dbraw/zinc/60/71/39/963607139.db2.gz BMQGJHYYUTWLBI-GRYCIOLGSA-N 1 2 210.321 2.082 20 30 BEEDLO C#CCN(CC#C)c1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001157564115 963667229 /nfs/dbraw/zinc/66/72/29/963667229.db2.gz UIXZRRYHGVKEAQ-UHFFFAOYSA-N 1 2 249.317 2.124 20 30 BEEDLO CCC(C#N)(CC)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168101670 963711823 /nfs/dbraw/zinc/71/18/23/963711823.db2.gz IYSXHXZBAXTOHI-GHMZBOCLSA-N 1 2 210.321 2.226 20 30 BEEDLO CCCC[N@H+](CC#N)[C@@H]1CCO[C@@H](C)C1 ZINC001168139634 963843490 /nfs/dbraw/zinc/84/34/90/963843490.db2.gz UXHZRFGXGYJETA-NWDGAFQWSA-N 1 2 210.321 2.180 20 30 BEEDLO CCCC[N@@H+](CC#N)[C@@H]1CCO[C@@H](C)C1 ZINC001168139634 963843492 /nfs/dbraw/zinc/84/34/92/963843492.db2.gz UXHZRFGXGYJETA-NWDGAFQWSA-N 1 2 210.321 2.180 20 30 BEEDLO N#CCc1ccc(NC[C@H]2C[C@H](F)C2)[nH+]c1 ZINC001168234335 964025241 /nfs/dbraw/zinc/02/52/41/964025241.db2.gz OAYLLKSVYGGKNJ-XYPYZODXSA-N 1 2 219.263 2.308 20 30 BEEDLO Cc1nc(NCC(C)(C)S)c2c([nH+]1)CCC2 ZINC001159267901 964041196 /nfs/dbraw/zinc/04/11/96/964041196.db2.gz KUXFFMPXUGVIJK-UHFFFAOYSA-N 1 2 237.372 2.394 20 30 BEEDLO COc1ccc[nH+]c1NCC(C)(C)S ZINC001159266749 964045402 /nfs/dbraw/zinc/04/54/02/964045402.db2.gz RANQMSVYLWMXPQ-UHFFFAOYSA-N 1 2 212.318 2.211 20 30 BEEDLO CC(C)C[C@H](C#N)Nc1cc(N)cc[nH+]1 ZINC001160356515 964290218 /nfs/dbraw/zinc/29/02/18/964290218.db2.gz XGNJHHFRXAZZBS-SNVBAGLBSA-N 1 2 204.277 2.014 20 30 BEEDLO C=C(C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001142511620 964349529 /nfs/dbraw/zinc/34/95/29/964349529.db2.gz PEULWLHWMSCWCN-UHFFFAOYSA-N 1 2 241.294 2.446 20 30 BEEDLO C[C@@]1(O)CC[C@@H](Nc2[nH+]cccc2CC#N)CC1 ZINC001162355092 964941343 /nfs/dbraw/zinc/94/13/43/964941343.db2.gz YIMFFXAYKWEGDB-MQMHXKEQSA-N 1 2 245.326 2.253 20 30 BEEDLO Cc1ccc(NCC2(C#N)CCC2)[nH+]c1N ZINC001162410863 964968765 /nfs/dbraw/zinc/96/87/65/964968765.db2.gz HEMZZUPBJNACLG-UHFFFAOYSA-N 1 2 216.288 2.078 20 30 BEEDLO C#CCNc1cccc(-c2c[nH+]cn2C)c1 ZINC001163368091 965368160 /nfs/dbraw/zinc/36/81/60/965368160.db2.gz PJRWAOPBQUGUNS-UHFFFAOYSA-N 1 2 211.268 2.132 20 30 BEEDLO CC1(C)C[C@@H](CNc2[nH+]cccc2CC#N)O1 ZINC001168450790 965746907 /nfs/dbraw/zinc/74/69/07/965746907.db2.gz UMRVFORERFZORP-NSHDSACASA-N 1 2 231.299 2.127 20 30 BEEDLO CNc1ccc(Nc2cnccc2C#N)c[nH+]1 ZINC001203449022 966650523 /nfs/dbraw/zinc/65/05/23/966650523.db2.gz WHXQREKMVRQWSX-UHFFFAOYSA-N 1 2 225.255 2.134 20 30 BEEDLO CNc1ccc(Nc2c(O)cccc2C#N)c[nH+]1 ZINC001203459291 966656860 /nfs/dbraw/zinc/65/68/60/966656860.db2.gz JIVAIVCNXXXPLJ-UHFFFAOYSA-N 1 2 240.266 2.444 20 30 BEEDLO CC(=O)C[N@@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238188864 966730741 /nfs/dbraw/zinc/73/07/41/966730741.db2.gz JTCBIVZVMMLOSJ-UHFFFAOYSA-N 1 2 236.702 2.232 20 30 BEEDLO CC(=O)C[N@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238188864 966730748 /nfs/dbraw/zinc/73/07/48/966730748.db2.gz JTCBIVZVMMLOSJ-UHFFFAOYSA-N 1 2 236.702 2.232 20 30 BEEDLO CC(C)[C@H]1COCC[N@@H+]1Cc1ccccc1C#N ZINC001204371573 966983454 /nfs/dbraw/zinc/98/34/54/966983454.db2.gz LFHNVEBFRZIMIC-OAHLLOKOSA-N 1 2 244.338 2.415 20 30 BEEDLO CC(C)[C@H]1COCC[N@H+]1Cc1ccccc1C#N ZINC001204371573 966983467 /nfs/dbraw/zinc/98/34/67/966983467.db2.gz LFHNVEBFRZIMIC-OAHLLOKOSA-N 1 2 244.338 2.415 20 30 BEEDLO Cc1c(F)cccc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001204509340 967018988 /nfs/dbraw/zinc/01/89/88/967018988.db2.gz BLPXVAFAOZPKHE-NSHDSACASA-N 1 2 218.275 2.480 20 30 BEEDLO Cc1c(F)cccc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001204509340 967018996 /nfs/dbraw/zinc/01/89/96/967018996.db2.gz BLPXVAFAOZPKHE-NSHDSACASA-N 1 2 218.275 2.480 20 30 BEEDLO C#Cc1cc(Nc2cnc3[nH]c(C)cc3c2)cc[nH+]1 ZINC001204897156 967217817 /nfs/dbraw/zinc/21/78/17/967217817.db2.gz UOCXMRJHBBYDRF-UHFFFAOYSA-N 1 2 248.289 2.413 20 30 BEEDLO CC(C)OCCCNc1[nH+]cccc1CC#N ZINC001168676364 967277456 /nfs/dbraw/zinc/27/74/56/967277456.db2.gz IURFLUOQOHEXND-UHFFFAOYSA-N 1 2 233.315 2.375 20 30 BEEDLO CNc1ccc(Nc2cccnc2C#N)c[nH+]1 ZINC001203448624 967713593 /nfs/dbraw/zinc/71/35/93/967713593.db2.gz BZDQMONOYQDIGF-UHFFFAOYSA-N 1 2 225.255 2.134 20 30 BEEDLO C#CC1CCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207054171 968586505 /nfs/dbraw/zinc/58/65/05/968586505.db2.gz BCRDKGXTOGQHCA-UHFFFAOYSA-N 1 2 239.322 2.180 20 30 BEEDLO CCCC[N@H+](CCC#N)Cc1cccc(=O)[nH]1 ZINC001207069789 968601711 /nfs/dbraw/zinc/60/17/11/968601711.db2.gz URMKAVFRDSAQPE-UHFFFAOYSA-N 1 2 233.315 2.303 20 30 BEEDLO CCCC[N@@H+](CCC#N)Cc1cccc(=O)[nH]1 ZINC001207069789 968601718 /nfs/dbraw/zinc/60/17/18/968601718.db2.gz URMKAVFRDSAQPE-UHFFFAOYSA-N 1 2 233.315 2.303 20 30 BEEDLO C=C[C@@](C)(O)CNc1c[nH+]c(C)cc1C ZINC001252542733 968778751 /nfs/dbraw/zinc/77/87/51/968778751.db2.gz JOZHHYJOAPGTPY-GFCCVEGCSA-N 1 2 206.289 2.047 20 30 BEEDLO C=C[C@](C)(O)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001252559917 968806584 /nfs/dbraw/zinc/80/65/84/968806584.db2.gz CFXNWGKOPFFNOX-AWEZNQCLSA-N 1 2 243.310 2.221 20 30 BEEDLO C=CCC[C@@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001252607185 968865262 /nfs/dbraw/zinc/86/52/62/968865262.db2.gz IOCHELWBMZIOAJ-GFCCVEGCSA-N 1 2 245.326 2.312 20 30 BEEDLO CC1=C[C@H](C)[C@@H](C[NH+]2CC(C#N)C2)CC1 ZINC001208166128 969101164 /nfs/dbraw/zinc/10/11/64/969101164.db2.gz VVGXYRWITBYQDP-WCQYABFASA-N 1 2 204.317 2.434 20 30 BEEDLO N#C[C@H]1CC[C@@H]([N@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001254660792 969770198 /nfs/dbraw/zinc/77/01/98/969770198.db2.gz LYGBILDBKPWIMM-MMWGEVLESA-N 1 2 214.259 2.061 20 30 BEEDLO N#C[C@H]1CC[C@@H]([N@@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001254660792 969770204 /nfs/dbraw/zinc/77/02/04/969770204.db2.gz LYGBILDBKPWIMM-MMWGEVLESA-N 1 2 214.259 2.061 20 30 BEEDLO C[C@@H]1CCC[C@H](CC[NH+]2CC(O)(CC#N)C2)C1 ZINC001169630456 969794219 /nfs/dbraw/zinc/79/42/19/969794219.db2.gz UNZVLEJQRMIKIQ-CHWSQXEVSA-N 1 2 236.359 2.163 20 30 BEEDLO C#C[C@](C)(CC)Nc1cc[nH+]c(OCCOC)c1 ZINC001169700875 969823842 /nfs/dbraw/zinc/82/38/42/969823842.db2.gz ZYTUXHPIKBUMRF-CQSZACIVSA-N 1 2 248.326 2.321 20 30 BEEDLO CCC(C#N)(CC)[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254940499 969831013 /nfs/dbraw/zinc/83/10/13/969831013.db2.gz MHMLHUOKFQDCBE-QWRGUYRKSA-N 1 2 234.343 2.416 20 30 BEEDLO C=C(C)C[C@@H](OCC[NH+]1CCOCC1)C(=C)C ZINC001210225225 969837297 /nfs/dbraw/zinc/83/72/97/969837297.db2.gz ODGISRFPHAUWBF-CQSZACIVSA-N 1 2 239.359 2.246 20 30 BEEDLO Cc1[nH+]cc(Nc2ccc(C#N)c(C#N)c2)cc1N ZINC001210290282 969859773 /nfs/dbraw/zinc/85/97/73/969859773.db2.gz IGGWDIAWYGWJEA-UHFFFAOYSA-N 1 2 249.277 2.459 20 30 BEEDLO C#Cc1cc(Nc2ccc3ncncc3c2)cc[nH+]1 ZINC001210454136 969892942 /nfs/dbraw/zinc/89/29/42/969892942.db2.gz LOBDLLFZXPYWJT-UHFFFAOYSA-N 1 2 246.273 2.172 20 30 BEEDLO CC[C@H](CC#N)[NH2+]C1(CC#N)CCCC1 ZINC001255163701 969945333 /nfs/dbraw/zinc/94/53/33/969945333.db2.gz CLYGHXBZOKDZRP-LLVKDONJSA-N 1 2 205.305 2.495 20 30 BEEDLO CC[C@H](CC#N)[N@H+](CCO)Cc1cccs1 ZINC001255171733 969986356 /nfs/dbraw/zinc/98/63/56/969986356.db2.gz ABZFHLABSPRCBP-LLVKDONJSA-N 1 2 238.356 2.235 20 30 BEEDLO CC[C@H](CC#N)[N@@H+](CCO)Cc1cccs1 ZINC001255171733 969986360 /nfs/dbraw/zinc/98/63/60/969986360.db2.gz ABZFHLABSPRCBP-LLVKDONJSA-N 1 2 238.356 2.235 20 30 BEEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001255174505 969988608 /nfs/dbraw/zinc/98/86/08/969988608.db2.gz XXFPYVUKPLTDPA-YPMHNXCESA-N 1 2 230.315 2.306 20 30 BEEDLO CC[C@H](CC#N)[N@H+]1CCC[C@H]1c1cnccn1 ZINC001255174505 969988613 /nfs/dbraw/zinc/98/86/13/969988613.db2.gz XXFPYVUKPLTDPA-YPMHNXCESA-N 1 2 230.315 2.306 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)CC(C)(C)CC)CC1 ZINC001112882940 970204025 /nfs/dbraw/zinc/20/40/25/970204025.db2.gz LNEFQVAVPZJGDS-UHFFFAOYSA-N 1 2 238.375 2.143 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc(C(C)(C)C#N)nc1 ZINC001243068138 970256900 /nfs/dbraw/zinc/25/69/00/970256900.db2.gz VTXWZLZFMBNCKV-UHFFFAOYSA-N 1 2 226.283 2.283 20 30 BEEDLO Cn1c[nH+]cc1-c1cc(F)cc(CC#N)c1 ZINC001243073112 970280785 /nfs/dbraw/zinc/28/07/85/970280785.db2.gz ZBAOSKVEFBJMHD-UHFFFAOYSA-N 1 2 215.231 2.292 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255526720 970290771 /nfs/dbraw/zinc/29/07/71/970290771.db2.gz YSKHNMHPMJVCFT-WCQYABFASA-N 1 2 224.348 2.472 20 30 BEEDLO CC1(C)C[C@@H]([NH2+]C2(C#N)CCCC2)CCO1 ZINC001255526814 970292345 /nfs/dbraw/zinc/29/23/45/970292345.db2.gz GVNBAQOBUKDSRN-NSHDSACASA-N 1 2 222.332 2.370 20 30 BEEDLO Cc1cc(C)c(Nc2ncn(C)c2C#N)c[nH+]1 ZINC001213510405 970331113 /nfs/dbraw/zinc/33/11/13/970331113.db2.gz BCECCOCWBFIISO-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO Cc1c[nH+]cc(Nc2c(C#N)cnn2C)c1C ZINC001213522496 970338275 /nfs/dbraw/zinc/33/82/75/970338275.db2.gz AIXOJMZGHMCJFG-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO CC(C)(S)CNc1[nH+]cccc1CC#N ZINC001170301788 970688433 /nfs/dbraw/zinc/68/84/33/970688433.db2.gz CYVVJOKCWAYGOH-UHFFFAOYSA-N 1 2 221.329 2.268 20 30 BEEDLO C=CCCCNc1cc[nH+]c(OCCOC)c1 ZINC001170301477 970689785 /nfs/dbraw/zinc/68/97/85/970689785.db2.gz WQFNRLNLRSEFHB-UHFFFAOYSA-N 1 2 236.315 2.485 20 30 BEEDLO N#CCC[N@@H+](Cc1ccc(O)cn1)C1CCCC1 ZINC001144259687 972710823 /nfs/dbraw/zinc/71/08/23/972710823.db2.gz UUPUCVARXJVAKK-UHFFFAOYSA-N 1 2 245.326 2.445 20 30 BEEDLO N#CCC[N@H+](Cc1ccc(O)cn1)C1CCCC1 ZINC001144259687 972710834 /nfs/dbraw/zinc/71/08/34/972710834.db2.gz UUPUCVARXJVAKK-UHFFFAOYSA-N 1 2 245.326 2.445 20 30 BEEDLO C[NH+]1CC(OCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001223153537 972859672 /nfs/dbraw/zinc/85/96/72/972859672.db2.gz UDUIGBZIWPETML-UHFFFAOYSA-N 1 2 244.338 2.318 20 30 BEEDLO CC(C)C[C@H](C)C[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246590877 972990882 /nfs/dbraw/zinc/99/08/82/972990882.db2.gz DMEKIPWYMPSDIQ-IHRRRGAJSA-N 1 2 237.391 2.245 20 30 BEEDLO COC1C[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001328758898 973338187 /nfs/dbraw/zinc/33/81/87/973338187.db2.gz LACYHGJKUKUYPJ-UHFFFAOYSA-N 1 2 242.322 2.072 20 30 BEEDLO C=C1O[C@@H](CC)C(=O)C1Oc1cc[nH+]cc1 ZINC001225294240 974369584 /nfs/dbraw/zinc/36/95/84/974369584.db2.gz HNHHABZUMUPXFU-JTQLQIEISA-N 1 2 219.240 2.070 20 30 BEEDLO N#C[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172230342 974469879 /nfs/dbraw/zinc/46/98/79/974469879.db2.gz VAIFNNMTOGYEIP-WODVXLOZSA-N 1 2 220.316 2.074 20 30 BEEDLO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC1(F)F ZINC001172292430 974559260 /nfs/dbraw/zinc/55/92/60/974559260.db2.gz PBZKPNIEBQABOL-SKDRFNHKSA-N 1 2 236.265 2.486 20 30 BEEDLO C#CC[N@@H+](Cc1nc2c(o1)CCCC2)CC1CC1 ZINC001331110813 974603733 /nfs/dbraw/zinc/60/37/33/974603733.db2.gz RNOATNRNBMEZDK-UHFFFAOYSA-N 1 2 244.338 2.399 20 30 BEEDLO C#CC[N@H+](Cc1nc2c(o1)CCCC2)CC1CC1 ZINC001331110813 974603743 /nfs/dbraw/zinc/60/37/43/974603743.db2.gz RNOATNRNBMEZDK-UHFFFAOYSA-N 1 2 244.338 2.399 20 30 BEEDLO C=CCn1cnn(C[N@H+]2CCC[C@H]2C)c1=S ZINC001331364468 974696404 /nfs/dbraw/zinc/69/64/04/974696404.db2.gz UYFGXRNMTZFEDF-SNVBAGLBSA-N 1 2 238.360 2.042 20 30 BEEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H]2C)c1=S ZINC001331364468 974696408 /nfs/dbraw/zinc/69/64/08/974696408.db2.gz UYFGXRNMTZFEDF-SNVBAGLBSA-N 1 2 238.360 2.042 20 30 BEEDLO C[C@H](CCCC#N)[NH2+]CC(=O)OC(C)(C)C ZINC001172481486 974781803 /nfs/dbraw/zinc/78/18/03/974781803.db2.gz UUWYJISUBZPEAI-SNVBAGLBSA-N 1 2 226.320 2.000 20 30 BEEDLO C[C@@H](CCCC#N)[N@@H+]1CCC(F)(F)C1 ZINC001172491160 974836516 /nfs/dbraw/zinc/83/65/16/974836516.db2.gz CERKBNDAWMQUMN-VIFPVBQESA-N 1 2 202.248 2.410 20 30 BEEDLO C[C@@H](CCCC#N)[N@H+]1CCC(F)(F)C1 ZINC001172491160 974836520 /nfs/dbraw/zinc/83/65/20/974836520.db2.gz CERKBNDAWMQUMN-VIFPVBQESA-N 1 2 202.248 2.410 20 30 BEEDLO C[C@@H](CCCC#N)[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001172494894 974844256 /nfs/dbraw/zinc/84/42/56/974844256.db2.gz ZJNPMVBWXAZUNT-IVZWLZJFSA-N 1 2 202.248 2.061 20 30 BEEDLO CO[C@@H]1CCC[C@H]([NH2+][C@@](C)(C#N)C(C)C)C1 ZINC001172923976 974973057 /nfs/dbraw/zinc/97/30/57/974973057.db2.gz OSYQMTCNZUZDSP-XQQFMLRXSA-N 1 2 224.348 2.472 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173169415 975060454 /nfs/dbraw/zinc/06/04/54/975060454.db2.gz BMQGJHYYUTWLBI-SDDRHHMPSA-N 1 2 210.321 2.082 20 30 BEEDLO C=CCOC1CCC([N@@H+](C)[C@H](C)C#N)CC1 ZINC001173322902 975270122 /nfs/dbraw/zinc/27/01/22/975270122.db2.gz PGPJIZPDUSLYLV-PNESKVBLSA-N 1 2 222.332 2.344 20 30 BEEDLO C=CCOC1CCC([N@H+](C)[C@H](C)C#N)CC1 ZINC001173322902 975270129 /nfs/dbraw/zinc/27/01/29/975270129.db2.gz PGPJIZPDUSLYLV-PNESKVBLSA-N 1 2 222.332 2.344 20 30 BEEDLO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C#N)CC)C1 ZINC001173652296 975508024 /nfs/dbraw/zinc/50/80/24/975508024.db2.gz PYWPREIQABFMRL-WOPDTQHZSA-N 1 2 238.331 2.000 20 30 BEEDLO C#Cc1cc(Nc2cc(C)cc(CO)c2)cc[nH+]1 ZINC001212751515 975519479 /nfs/dbraw/zinc/51/94/79/975519479.db2.gz KQGDYSUCKDRISP-UHFFFAOYSA-N 1 2 238.290 2.029 20 30 BEEDLO C#Cc1cc(Nc2ccc(OC)cc2)cc[nH+]1 ZINC001173806014 975694664 /nfs/dbraw/zinc/69/46/64/975694664.db2.gz RGNNGDXMKYNBAM-UHFFFAOYSA-N 1 2 224.263 2.237 20 30 BEEDLO C#CC[C@@H](C)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228091020 975899828 /nfs/dbraw/zinc/89/98/28/975899828.db2.gz QRKJSPBRUBNEKT-LLVKDONJSA-N 1 2 243.306 2.461 20 30 BEEDLO C#CC[C@H](C)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228091021 975902572 /nfs/dbraw/zinc/90/25/72/975902572.db2.gz QRKJSPBRUBNEKT-NSHDSACASA-N 1 2 243.306 2.461 20 30 BEEDLO Cc1ccnc(OC2C[NH+](C(C)(C)C)C2)c1C#N ZINC001228305124 976094363 /nfs/dbraw/zinc/09/43/63/976094363.db2.gz MEQMYRVGYPHCIQ-UHFFFAOYSA-N 1 2 245.326 2.123 20 30 BEEDLO C=C(C)c1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001229077871 976706659 /nfs/dbraw/zinc/70/66/59/976706659.db2.gz CQTRUTRRWFZFRA-HNNXBMFYSA-N 1 2 247.338 2.429 20 30 BEEDLO C=C(C)c1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001229077871 976706672 /nfs/dbraw/zinc/70/66/72/976706672.db2.gz CQTRUTRRWFZFRA-HNNXBMFYSA-N 1 2 247.338 2.429 20 30 BEEDLO C#Cc1cc(Nc2ccc3cn[nH]c3c2)cc[nH+]1 ZINC001174499188 976730352 /nfs/dbraw/zinc/73/03/52/976730352.db2.gz NDMSQZIAAQPKIJ-UHFFFAOYSA-N 1 2 234.262 2.105 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1noc2c1COCC2 ZINC001334887952 976771344 /nfs/dbraw/zinc/77/13/44/976771344.db2.gz KCBNYSNAKCCVFV-LLVKDONJSA-N 1 2 248.326 2.288 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1noc2c1COCC2 ZINC001334887952 976771356 /nfs/dbraw/zinc/77/13/56/976771356.db2.gz KCBNYSNAKCCVFV-LLVKDONJSA-N 1 2 248.326 2.288 20 30 BEEDLO C#Cc1cc(Nc2ccccc2C(C)=O)cc[nH+]1 ZINC001175172367 977323521 /nfs/dbraw/zinc/32/35/21/977323521.db2.gz MPZVVSJGEXOELD-UHFFFAOYSA-N 1 2 236.274 2.431 20 30 BEEDLO C#Cc1ccc(Nc2ccc(N(C)C)[nH+]c2)cn1 ZINC001175343111 977364936 /nfs/dbraw/zinc/36/49/36/977364936.db2.gz XAXADKUWGZYETC-UHFFFAOYSA-N 1 2 238.294 2.268 20 30 BEEDLO C#Cc1cc(Nc2ccc3[nH]nc(C)c3c2)cc[nH+]1 ZINC001175692752 977658233 /nfs/dbraw/zinc/65/82/33/977658233.db2.gz IKROISYOZOUUFZ-UHFFFAOYSA-N 1 2 248.289 2.413 20 30 BEEDLO C#Cc1cc(Nc2ccc3n[nH]c(C)c3c2)cc[nH+]1 ZINC001175692752 977658243 /nfs/dbraw/zinc/65/82/43/977658243.db2.gz IKROISYOZOUUFZ-UHFFFAOYSA-N 1 2 248.289 2.413 20 30 BEEDLO C#Cc1cccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC001231658466 977671652 /nfs/dbraw/zinc/67/16/52/977671652.db2.gz XEJTWBFRLUXNNU-LBPRGKRZSA-N 1 2 227.307 2.079 20 30 BEEDLO C#Cc1cccc(C[N@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC001231658466 977671664 /nfs/dbraw/zinc/67/16/64/977671664.db2.gz XEJTWBFRLUXNNU-LBPRGKRZSA-N 1 2 227.307 2.079 20 30 BEEDLO CCCCN(CC#N)Cc1cc(OC)cc[nH+]1 ZINC001231967960 977815240 /nfs/dbraw/zinc/81/52/40/977815240.db2.gz DCWZUJZBMRQVMS-UHFFFAOYSA-N 1 2 233.315 2.216 20 30 BEEDLO C#Cc1cccc(Nc2cc[nH+]c(C#C)c2)c1 ZINC001175971828 977838578 /nfs/dbraw/zinc/83/85/78/977838578.db2.gz BQBSLCYJQVTUFI-UHFFFAOYSA-N 1 2 218.259 2.210 20 30 BEEDLO Cc1[nH]c(CNc2ccc(C#N)c(C)n2)[nH+]c1C ZINC001336725229 977886966 /nfs/dbraw/zinc/88/69/66/977886966.db2.gz DDYFRNKXQFNJFZ-UHFFFAOYSA-N 1 2 241.298 2.214 20 30 BEEDLO Cc1cccnc1[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC001336748964 977910389 /nfs/dbraw/zinc/91/03/89/977910389.db2.gz LMAWZNOHBUDCCI-CHWSQXEVSA-N 1 2 242.326 2.484 20 30 BEEDLO COc1cc[nH+]cc1Nc1ccc(C#N)cc1O ZINC001176123740 977958752 /nfs/dbraw/zinc/95/87/52/977958752.db2.gz DWEFLFZTALFXMC-UHFFFAOYSA-N 1 2 241.250 2.411 20 30 BEEDLO C=CCn1cc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001176545502 978106360 /nfs/dbraw/zinc/10/63/60/978106360.db2.gz DSBBTZLTHOJGHK-UHFFFAOYSA-N 1 2 239.282 2.460 20 30 BEEDLO N#Cc1ccnc(C[NH+]2CCC(F)(F)CC2)c1 ZINC001232474697 978122868 /nfs/dbraw/zinc/12/28/68/978122868.db2.gz ICCDQVACJLSLOZ-UHFFFAOYSA-N 1 2 237.253 2.184 20 30 BEEDLO C=C(C)CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001337183353 978202204 /nfs/dbraw/zinc/20/22/04/978202204.db2.gz MEDYEXJRSKIFKG-UHFFFAOYSA-N 1 2 247.342 2.472 20 30 BEEDLO C=C(C)CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001337183353 978202211 /nfs/dbraw/zinc/20/22/11/978202211.db2.gz MEDYEXJRSKIFKG-UHFFFAOYSA-N 1 2 247.342 2.472 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCCC23CC3)c1 ZINC001232673661 978229692 /nfs/dbraw/zinc/22/96/92/978229692.db2.gz KQDGRWGCADJSAW-UHFFFAOYSA-N 1 2 228.295 2.392 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2CCCC23CC3)c1 ZINC001232673661 978229711 /nfs/dbraw/zinc/22/97/11/978229711.db2.gz KQDGRWGCADJSAW-UHFFFAOYSA-N 1 2 228.295 2.392 20 30 BEEDLO C[C@@]1(CF)CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674391 978242600 /nfs/dbraw/zinc/24/26/00/978242600.db2.gz YRKJAPICNRICMR-AWEZNQCLSA-N 1 2 248.301 2.445 20 30 BEEDLO C[C@@]1(CF)CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674391 978242608 /nfs/dbraw/zinc/24/26/08/978242608.db2.gz YRKJAPICNRICMR-AWEZNQCLSA-N 1 2 248.301 2.445 20 30 BEEDLO CCc1[nH]c(CNC(=O)CCCCCC#N)c[nH+]1 ZINC001597257280 978305343 /nfs/dbraw/zinc/30/53/43/978305343.db2.gz HTUZXNSYJBDQTP-UHFFFAOYSA-N 1 2 248.330 2.062 20 30 BEEDLO CCc1[nH]cc(CNC(=O)CCCCCC#N)[nH+]1 ZINC001597257280 978305357 /nfs/dbraw/zinc/30/53/57/978305357.db2.gz HTUZXNSYJBDQTP-UHFFFAOYSA-N 1 2 248.330 2.062 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)s1 ZINC001232844241 978308004 /nfs/dbraw/zinc/30/80/04/978308004.db2.gz KKWLGHHFOMSCSZ-KPXOXKRLSA-N 1 2 236.315 2.410 20 30 BEEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)s1 ZINC001232844241 978308014 /nfs/dbraw/zinc/30/80/14/978308014.db2.gz KKWLGHHFOMSCSZ-KPXOXKRLSA-N 1 2 236.315 2.410 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1F ZINC001232842286 978310352 /nfs/dbraw/zinc/31/03/52/978310352.db2.gz VNTXPHHDGPLYNT-KCJUWKMLSA-N 1 2 224.304 2.410 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1F ZINC001232842286 978310359 /nfs/dbraw/zinc/31/03/59/978310359.db2.gz VNTXPHHDGPLYNT-KCJUWKMLSA-N 1 2 224.304 2.410 20 30 BEEDLO N#Cc1cc[nH]c1C[N@@H+]1CCc2ccccc2C1 ZINC001233041910 978418781 /nfs/dbraw/zinc/41/87/81/978418781.db2.gz BFAVBNMPSCXSGZ-UHFFFAOYSA-N 1 2 237.306 2.445 20 30 BEEDLO N#Cc1cc[nH]c1C[N@H+]1CCc2ccccc2C1 ZINC001233041910 978418792 /nfs/dbraw/zinc/41/87/92/978418792.db2.gz BFAVBNMPSCXSGZ-UHFFFAOYSA-N 1 2 237.306 2.445 20 30 BEEDLO C#CC[N@@H+](C)Cc1cn2ccc(Cl)cc2n1 ZINC001233391520 978598870 /nfs/dbraw/zinc/59/88/70/978598870.db2.gz KSTMSIJZBPLICY-UHFFFAOYSA-N 1 2 233.702 2.053 20 30 BEEDLO C#CC[N@H+](C)Cc1cn2ccc(Cl)cc2n1 ZINC001233391520 978598876 /nfs/dbraw/zinc/59/88/76/978598876.db2.gz KSTMSIJZBPLICY-UHFFFAOYSA-N 1 2 233.702 2.053 20 30 BEEDLO C#CC[C@H]1CCN(c2ccc(CC)c[nH+]2)C1 ZINC001338085162 978610496 /nfs/dbraw/zinc/61/04/96/978610496.db2.gz VIOINAWJAQSYLP-ZDUSSCGKSA-N 1 2 214.312 2.494 20 30 BEEDLO Cc1cnc(F)c(C[NH+]2CCC(C#N)CC2)c1 ZINC001235331602 979020368 /nfs/dbraw/zinc/02/03/68/979020368.db2.gz HROCKZUKLWSUOT-UHFFFAOYSA-N 1 2 233.290 2.265 20 30 BEEDLO N#CCc1ccccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001235530227 979069119 /nfs/dbraw/zinc/06/91/19/979069119.db2.gz TVCPRYUMZBKGGT-ZDUSSCGKSA-N 1 2 239.322 2.488 20 30 BEEDLO N#CCc1ccccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001235530227 979069132 /nfs/dbraw/zinc/06/91/32/979069132.db2.gz TVCPRYUMZBKGGT-ZDUSSCGKSA-N 1 2 239.322 2.488 20 30 BEEDLO N#CCc1ccccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001235530225 979073533 /nfs/dbraw/zinc/07/35/33/979073533.db2.gz TVCPRYUMZBKGGT-CYBMUJFWSA-N 1 2 239.322 2.488 20 30 BEEDLO N#CCc1ccccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC001235530225 979073547 /nfs/dbraw/zinc/07/35/47/979073547.db2.gz TVCPRYUMZBKGGT-CYBMUJFWSA-N 1 2 239.322 2.488 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(F)c(OCC)c1 ZINC001235806621 979152329 /nfs/dbraw/zinc/15/23/29/979152329.db2.gz MUJHGCZVCQVIOB-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C=CC[N@@H+](C)Cc1ccnc(OC)c1Cl ZINC001235841874 979166534 /nfs/dbraw/zinc/16/65/34/979166534.db2.gz IHKYHNMJUIZUOA-UHFFFAOYSA-N 1 2 226.707 2.361 20 30 BEEDLO C=CC[N@H+](C)Cc1ccnc(OC)c1Cl ZINC001235841874 979166543 /nfs/dbraw/zinc/16/65/43/979166543.db2.gz IHKYHNMJUIZUOA-UHFFFAOYSA-N 1 2 226.707 2.361 20 30 BEEDLO C[C@@H](CC[N@@H+]1CCN[C@H](C#N)C1)CC(C)(C)C ZINC001235914640 979202794 /nfs/dbraw/zinc/20/27/94/979202794.db2.gz WZQRZJUQQMBIOR-QWHCGFSZSA-N 1 2 237.391 2.246 20 30 BEEDLO C[C@@H](CC[N@H+]1CCN[C@H](C#N)C1)CC(C)(C)C ZINC001235914640 979202806 /nfs/dbraw/zinc/20/28/06/979202806.db2.gz WZQRZJUQQMBIOR-QWHCGFSZSA-N 1 2 237.391 2.246 20 30 BEEDLO C#C[C@H](C)[NH2+]Cc1nc(Br)cs1 ZINC001181647035 979218836 /nfs/dbraw/zinc/21/88/36/979218836.db2.gz SVRCEXHXUFFFBZ-LURJTMIESA-N 1 2 245.145 2.017 20 30 BEEDLO C=C/C(=[NH+]\COC)c1cccnc1N1CCCC1 ZINC001236125746 979404448 /nfs/dbraw/zinc/40/44/48/979404448.db2.gz XAEGMIRRMYMAGO-DTQAZKPQSA-N 1 2 245.326 2.261 20 30 BEEDLO C[C@H]1CC[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525740 979929787 /nfs/dbraw/zinc/92/97/87/979929787.db2.gz UNHGFHGSCMOJBS-QMMMGPOBSA-N 1 2 222.238 2.431 20 30 BEEDLO C[C@H]1CC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525740 979929804 /nfs/dbraw/zinc/92/98/04/979929804.db2.gz UNHGFHGSCMOJBS-QMMMGPOBSA-N 1 2 222.238 2.431 20 30 BEEDLO C=CC[N@H+](Cc1nnc[nH]1)C1CCCCC1 ZINC001237611202 979972896 /nfs/dbraw/zinc/97/28/96/979972896.db2.gz NJTBDIXWIWMAGW-UHFFFAOYSA-N 1 2 220.320 2.125 20 30 BEEDLO C=CC[N@@H+](Cc1nnc[nH]1)C1CCCCC1 ZINC001237611202 979972901 /nfs/dbraw/zinc/97/29/01/979972901.db2.gz NJTBDIXWIWMAGW-UHFFFAOYSA-N 1 2 220.320 2.125 20 30 BEEDLO Cc1nc(C[NH+]2CCC(C#N)CC2)ccc1F ZINC001237812788 980058862 /nfs/dbraw/zinc/05/88/62/980058862.db2.gz FIYOBZMXWSGXGI-UHFFFAOYSA-N 1 2 233.290 2.265 20 30 BEEDLO N#CCC1C[NH+](Cc2cncc(C3CC3)c2)C1 ZINC001238188877 980219575 /nfs/dbraw/zinc/21/95/75/980219575.db2.gz ZBZLMWADUCPHQV-UHFFFAOYSA-N 1 2 227.311 2.304 20 30 BEEDLO Cc1c[nH+]c(C)c(Nc2c(C#N)cnn2C)c1 ZINC001203654607 980476189 /nfs/dbraw/zinc/47/61/89/980476189.db2.gz MMSWWICXZUDTIQ-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO Cc1c[nH+]c(C)c(Nc2ncn(C)c2C#N)c1 ZINC001203656931 980492120 /nfs/dbraw/zinc/49/21/20/980492120.db2.gz DJROSQLWCUINIJ-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO Cc1c[nH+]c(C)c(Nc2ncc(C#N)nc2C)c1 ZINC001203656057 980494331 /nfs/dbraw/zinc/49/43/31/980494331.db2.gz JWWHWHKMOHLDQY-UHFFFAOYSA-N 1 2 239.282 2.412 20 30 BEEDLO C[C@@H](CC(=O)O[C@H](CC#N)C1CC1)n1cc[nH+]c1 ZINC001346708123 980889604 /nfs/dbraw/zinc/88/96/04/980889604.db2.gz YTUALYZCZMGZRC-CMPLNLGQSA-N 1 2 247.298 2.070 20 30 BEEDLO N#CCc1cc(-c2ccc3[nH+]ccn3c2)ccn1 ZINC001240219082 981169895 /nfs/dbraw/zinc/16/98/95/981169895.db2.gz YDBKMDGMILTSMI-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO C#CC[C@H]([NH2+]Cc1nncs1)c1ccccc1 ZINC001192790955 981193073 /nfs/dbraw/zinc/19/30/73/981193073.db2.gz DITHCNGTZHBQBP-LBPRGKRZSA-N 1 2 243.335 2.392 20 30 BEEDLO N#CCc1cccnc1-c1ccn2cc[nH+]c2c1 ZINC001240496151 981415900 /nfs/dbraw/zinc/41/59/00/981415900.db2.gz IMZMPFCZGNVLSV-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO C=CC[C@H]([NH2+][C@H](C)[C@H]1CC1(F)F)C(=O)OCC ZINC001349623401 981598644 /nfs/dbraw/zinc/59/86/44/981598644.db2.gz CNIVDHAXSKMUHQ-BBBLOLIVSA-N 1 2 247.285 2.128 20 30 BEEDLO C=CCOC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001194290754 981705419 /nfs/dbraw/zinc/70/54/19/981705419.db2.gz JDACPFBWWLURAQ-UHFFFAOYSA-N 1 2 231.255 2.377 20 30 BEEDLO C=C(C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001585080839 981903706 /nfs/dbraw/zinc/90/37/06/981903706.db2.gz IDSFORQQTIAYSP-UHFFFAOYSA-N 1 2 229.283 2.211 20 30 BEEDLO C=CC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001586201462 981978921 /nfs/dbraw/zinc/97/89/21/981978921.db2.gz WOKNLDONZZFKJN-SNVBAGLBSA-N 1 2 229.283 2.029 20 30 BEEDLO COc1cccc(-c2cc[nH+]c(N)c2)c1C#N ZINC001241170500 982317251 /nfs/dbraw/zinc/31/72/51/982317251.db2.gz LGBMNVSHBGQWHV-UHFFFAOYSA-N 1 2 225.251 2.211 20 30 BEEDLO N#Cc1cnc(Nc2ccc(N)[nH+]c2)c(Cl)c1 ZINC001201273034 983175214 /nfs/dbraw/zinc/17/52/14/983175214.db2.gz ZKXSLZJEAXEKDL-UHFFFAOYSA-N 1 2 245.673 2.327 20 30 BEEDLO Cc1cc(C#N)ccc1N1CCn2c[nH+]cc2C1 ZINC001355204609 983447961 /nfs/dbraw/zinc/44/79/61/983447961.db2.gz NYXCCWWTGZRNGY-UHFFFAOYSA-N 1 2 238.294 2.083 20 30 BEEDLO Cc1cc(-c2cc[nH+]c3c2CCN3)cnc1C#N ZINC001242357813 983640036 /nfs/dbraw/zinc/64/00/36/983640036.db2.gz ORRYACOZUGJCTA-UHFFFAOYSA-N 1 2 236.278 2.292 20 30 BEEDLO N#Cc1csc(CNc2cc(CO)cc[nH+]2)c1 ZINC001560510529 983941362 /nfs/dbraw/zinc/94/13/62/983941362.db2.gz AABCOKVXRFIDBK-UHFFFAOYSA-N 1 2 245.307 2.119 20 30 BEEDLO C#C[C@H]([NH2+]C/C(Cl)=C/Cl)[C@H]1CCCO1 ZINC000389282957 984324708 /nfs/dbraw/zinc/32/47/08/984324708.db2.gz SYQLTQJQGNVVTD-BWAOMENWSA-N 1 2 234.126 2.076 20 30 BEEDLO Cn1c[nH+]cc1-c1cccc2[nH]c(C#N)cc21 ZINC001243067588 984482648 /nfs/dbraw/zinc/48/26/48/984482648.db2.gz LXRFWWICDFUHFC-UHFFFAOYSA-N 1 2 222.251 2.440 20 30 BEEDLO CN(C)c1ccccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000932156562 985013384 /nfs/dbraw/zinc/01/33/84/985013384.db2.gz IJVSJHYOIYEPMW-CYBMUJFWSA-N 1 2 243.354 2.488 20 30 BEEDLO CN(C)c1ccccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000932156562 985013396 /nfs/dbraw/zinc/01/33/96/985013396.db2.gz IJVSJHYOIYEPMW-CYBMUJFWSA-N 1 2 243.354 2.488 20 30 BEEDLO C=C[C@H](CC)CC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001456146673 985115429 /nfs/dbraw/zinc/11/54/29/985115429.db2.gz ZYBPBKRPOBOOFV-SNVBAGLBSA-N 1 2 235.331 2.191 20 30 BEEDLO C=C[C@H](CC)CC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001456146673 985115436 /nfs/dbraw/zinc/11/54/36/985115436.db2.gz ZYBPBKRPOBOOFV-SNVBAGLBSA-N 1 2 235.331 2.191 20 30 BEEDLO C/C(=C\C=C\[NH3+])c1ccccc1OCC#N ZINC001243584060 985142996 /nfs/dbraw/zinc/14/29/96/985142996.db2.gz HMLJDGDIHSENPI-JNKBEKGTSA-N 1 2 214.268 2.465 20 30 BEEDLO CSC(C)(C)C[C@H](C)[NH+]1CC(C#N)C1 ZINC001258332231 985811417 /nfs/dbraw/zinc/81/14/17/985811417.db2.gz VIEIUZZQCQQOTR-VIFPVBQESA-N 1 2 212.362 2.362 20 30 BEEDLO COc1ccc(-c2ccc(N)[nH+]c2)cc1C#N ZINC001244709573 986318280 /nfs/dbraw/zinc/31/82/80/986318280.db2.gz WVURKCGTOOTWIA-UHFFFAOYSA-N 1 2 225.251 2.211 20 30 BEEDLO C=C/C(=[NH+]\COC)c1cc(F)cc(N(C)C)c1 ZINC001244797743 986347814 /nfs/dbraw/zinc/34/78/14/986347814.db2.gz GYLMBTUBLOTVSR-FYWRMAATSA-N 1 2 236.290 2.471 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254930328 986749841 /nfs/dbraw/zinc/74/98/41/986749841.db2.gz GATYUWIQAXNXEZ-GYSYKLTISA-N 1 2 234.343 2.272 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H](CO)c1ccccc1OC ZINC001255163201 986839293 /nfs/dbraw/zinc/83/92/93/986839293.db2.gz CYXXDRWQOWFZBW-DGCLKSJQSA-N 1 2 248.326 2.010 20 30 BEEDLO CC[C@@H](CC#N)[NH+]1CCC(c2nc(C)no2)CC1 ZINC001255174726 986871027 /nfs/dbraw/zinc/87/10/27/986871027.db2.gz JBPRUPAVBVSREC-LBPRGKRZSA-N 1 2 248.330 2.250 20 30 BEEDLO Cc1cc(-c2cccc(CC#N)n2)c[nH+]c1N ZINC001245535012 986907717 /nfs/dbraw/zinc/90/77/17/986907717.db2.gz FIHPYIMSCBISNY-UHFFFAOYSA-N 1 2 224.267 2.100 20 30 BEEDLO Cc1cc(-c2nccc(C#N)c2C)c[nH+]c1N ZINC001245536754 986914448 /nfs/dbraw/zinc/91/44/48/986914448.db2.gz YWJVAHQIRLYTGO-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO Cc1cc(-c2ccc(C#N)cc2C#N)c[nH+]c1N ZINC001245537999 986919916 /nfs/dbraw/zinc/91/99/16/986919916.db2.gz IVQDXFGKFDPOTD-UHFFFAOYSA-N 1 2 234.262 2.383 20 30 BEEDLO Cc1cc(-c2ccc3ncc(C#N)n3c2)c[nH+]c1N ZINC001245538864 986927799 /nfs/dbraw/zinc/92/77/99/986927799.db2.gz IWUCAULOAAWYFF-UHFFFAOYSA-N 1 2 249.277 2.159 20 30 BEEDLO Cc1cc(-c2cc(CC#N)cnc2F)c[nH+]c1N ZINC001245539022 986927980 /nfs/dbraw/zinc/92/79/80/986927980.db2.gz DHIQUOXDLDFGEW-UHFFFAOYSA-N 1 2 242.257 2.239 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CCc1cc(C)cc(C)c1 ZINC001474573844 987765848 /nfs/dbraw/zinc/76/58/48/987765848.db2.gz HUHOLIVMPPKVMF-MRXNPFEDSA-N 1 2 243.350 2.180 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CCc1cc(C)cc(C)c1 ZINC001474573844 987765850 /nfs/dbraw/zinc/76/58/50/987765850.db2.gz HUHOLIVMPPKVMF-MRXNPFEDSA-N 1 2 243.350 2.180 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)CC(C)(C)CC)C1 ZINC001494396974 988141758 /nfs/dbraw/zinc/14/17/58/988141758.db2.gz UCMBKQMGYKQVBM-UHFFFAOYSA-N 1 2 238.375 2.189 20 30 BEEDLO CC(C)CC(CC(C)C)N1CC[NH2+]C[C@H]1C#N ZINC001246590940 988170882 /nfs/dbraw/zinc/17/08/82/988170882.db2.gz DZFAVJHFRWHMFA-CQSZACIVSA-N 1 2 237.391 2.245 20 30 BEEDLO Cc1cc(C)nc(C[N@@H+]2CCC[C@H](C#N)CC2)n1 ZINC001248972602 989232192 /nfs/dbraw/zinc/23/21/92/989232192.db2.gz MPYLMWJSJVLIST-ZDUSSCGKSA-N 1 2 244.342 2.219 20 30 BEEDLO Cc1cc(C)nc(C[N@H+]2CCC[C@H](C#N)CC2)n1 ZINC001248972602 989232206 /nfs/dbraw/zinc/23/22/06/989232206.db2.gz MPYLMWJSJVLIST-ZDUSSCGKSA-N 1 2 244.342 2.219 20 30 BEEDLO Cc1cccnc1C[NH2+]CC1(C#N)CCC1 ZINC001325681867 989232744 /nfs/dbraw/zinc/23/27/44/989232744.db2.gz VSVODPUCLQBWKC-UHFFFAOYSA-N 1 2 215.300 2.174 20 30 BEEDLO C=CC[N@@H+](C)CN1CC[C@@H](c2ccccc2)C1=O ZINC001325853922 989283910 /nfs/dbraw/zinc/28/39/10/989283910.db2.gz LHOMMYWHJAGLKI-AWEZNQCLSA-N 1 2 244.338 2.078 20 30 BEEDLO C=CC[N@H+](C)CN1CC[C@@H](c2ccccc2)C1=O ZINC001325853922 989283916 /nfs/dbraw/zinc/28/39/16/989283916.db2.gz LHOMMYWHJAGLKI-AWEZNQCLSA-N 1 2 244.338 2.078 20 30 BEEDLO C=CCC(C)(C)CNC(=O)CCc1[nH+]ccn1C ZINC001528451206 990289628 /nfs/dbraw/zinc/28/96/28/990289628.db2.gz QPKUGYBPQYEKAL-UHFFFAOYSA-N 1 2 249.358 2.071 20 30 BEEDLO C=C[C@@H](CC)CC(=O)OCc1c[nH+]cn1C ZINC001122757716 990443136 /nfs/dbraw/zinc/44/31/36/990443136.db2.gz RZMBWRRLEPGHMM-JTQLQIEISA-N 1 2 222.288 2.066 20 30 BEEDLO CCOC(=O)CCC[C@@H](C)[NH2+][C@@H](C#N)CC ZINC001258111698 991024016 /nfs/dbraw/zinc/02/40/16/991024016.db2.gz LCNLALCQRIORON-GHMZBOCLSA-N 1 2 226.320 2.000 20 30 BEEDLO CNc1ccccc1C[N@H+](C)[C@@H](C)CC#N ZINC001308589131 991056060 /nfs/dbraw/zinc/05/60/60/991056060.db2.gz JEYSUWJSJZILTI-NSHDSACASA-N 1 2 217.316 2.462 20 30 BEEDLO CNc1ccccc1C[N@@H+](C)[C@@H](C)CC#N ZINC001308589131 991056066 /nfs/dbraw/zinc/05/60/66/991056066.db2.gz JEYSUWJSJZILTI-NSHDSACASA-N 1 2 217.316 2.462 20 30 BEEDLO C=CCC1(O)C[NH+](Cc2cccc(C)c2F)C1 ZINC001308980879 991246746 /nfs/dbraw/zinc/24/67/46/991246746.db2.gz WZKSFXBHRZCQST-UHFFFAOYSA-N 1 2 235.302 2.257 20 30 BEEDLO C=CCn1cc(C[N@@H+](C)Cc2ccccn2)cn1 ZINC001139766175 991360346 /nfs/dbraw/zinc/36/03/46/991360346.db2.gz LBARXJFROIJUQZ-UHFFFAOYSA-N 1 2 242.326 2.096 20 30 BEEDLO C=CCn1cc(C[N@H+](C)Cc2ccccn2)cn1 ZINC001139766175 991360350 /nfs/dbraw/zinc/36/03/50/991360350.db2.gz LBARXJFROIJUQZ-UHFFFAOYSA-N 1 2 242.326 2.096 20 30 BEEDLO C=CCn1cc(C[N@H+](C)Cc2cncs2)cn1 ZINC001139771109 991363749 /nfs/dbraw/zinc/36/37/49/991363749.db2.gz OKZKQUNXTBCLQA-UHFFFAOYSA-N 1 2 248.355 2.158 20 30 BEEDLO C=CCn1cc(C[N@@H+](C)Cc2cncs2)cn1 ZINC001139771109 991363758 /nfs/dbraw/zinc/36/37/58/991363758.db2.gz OKZKQUNXTBCLQA-UHFFFAOYSA-N 1 2 248.355 2.158 20 30 BEEDLO C[C@@H](CC1CC1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001258460823 991420984 /nfs/dbraw/zinc/42/09/84/991420984.db2.gz LJDSAUHMTWPDNG-JOYOIKCWSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H](CC1CC1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258460823 991420991 /nfs/dbraw/zinc/42/09/91/991420991.db2.gz LJDSAUHMTWPDNG-JOYOIKCWSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H](CC1CC1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258460823 991420998 /nfs/dbraw/zinc/42/09/98/991420998.db2.gz LJDSAUHMTWPDNG-JOYOIKCWSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H](CC1CC1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001258460823 991421005 /nfs/dbraw/zinc/42/10/05/991421005.db2.gz LJDSAUHMTWPDNG-JOYOIKCWSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1ccccn1 ZINC001560220930 991426613 /nfs/dbraw/zinc/42/66/13/991426613.db2.gz HJLGIALLILJIIN-NSHDSACASA-N 1 2 238.294 2.199 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(C)n1 ZINC001560657446 991542594 /nfs/dbraw/zinc/54/25/94/991542594.db2.gz MTAAVWVWLZKPEO-LBPRGKRZSA-N 1 2 217.316 2.432 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(C)n1 ZINC001560657446 991542603 /nfs/dbraw/zinc/54/26/03/991542603.db2.gz MTAAVWVWLZKPEO-LBPRGKRZSA-N 1 2 217.316 2.432 20 30 BEEDLO C[N@H+](CCC#N)Cc1c[nH]c2cccc(O)c12 ZINC001140231537 991569499 /nfs/dbraw/zinc/56/94/99/991569499.db2.gz MFZIFZKODQBWQS-UHFFFAOYSA-N 1 2 229.283 2.219 20 30 BEEDLO C[N@@H+](CCC#N)Cc1c[nH]c2cccc(O)c12 ZINC001140231537 991569511 /nfs/dbraw/zinc/56/95/11/991569511.db2.gz MFZIFZKODQBWQS-UHFFFAOYSA-N 1 2 229.283 2.219 20 30 BEEDLO C=CC[N@@H+](C)Cc1n[nH]c2ccc(C)cc21 ZINC001140329841 991610041 /nfs/dbraw/zinc/61/00/41/991610041.db2.gz BINSDHZHYGYOOR-UHFFFAOYSA-N 1 2 215.300 2.489 20 30 BEEDLO C=CC[N@H+](C)Cc1n[nH]c2ccc(C)cc21 ZINC001140329841 991610043 /nfs/dbraw/zinc/61/00/43/991610043.db2.gz BINSDHZHYGYOOR-UHFFFAOYSA-N 1 2 215.300 2.489 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc3n[nH]cc3c2)C1 ZINC001140386925 991631010 /nfs/dbraw/zinc/63/10/10/991631010.db2.gz XHJCMIZDESRTTD-LBPRGKRZSA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc3n[nH]cc3c2)C1 ZINC001140386925 991631015 /nfs/dbraw/zinc/63/10/15/991631015.db2.gz XHJCMIZDESRTTD-LBPRGKRZSA-N 1 2 240.310 2.298 20 30 BEEDLO C=CCC[C@H](C)[NH2+]C1(C(=O)OCC)CC1 ZINC001258717957 991645110 /nfs/dbraw/zinc/64/51/10/991645110.db2.gz ACPKLJYBRBCNFX-JTQLQIEISA-N 1 2 211.305 2.026 20 30 BEEDLO C=CCC[C@H](C)N1CC([NH+]2CCC(F)CC2)C1 ZINC001258735594 991684336 /nfs/dbraw/zinc/68/43/36/991684336.db2.gz XMDKSLURFFDSAL-LBPRGKRZSA-N 1 2 240.366 2.459 20 30 BEEDLO C[C@H]1CCC[C@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001258812792 991820784 /nfs/dbraw/zinc/82/07/84/991820784.db2.gz IEVBXKPOMHXVTL-RYUDHWBXSA-N 1 2 222.332 2.227 20 30 BEEDLO Cc1c[nH+]c(Nc2cccc(F)c2C#N)[nH]1 ZINC001319490765 991877633 /nfs/dbraw/zinc/87/76/33/991877633.db2.gz RGJQQTGBNHCQPY-UHFFFAOYSA-N 1 2 216.219 2.473 20 30 BEEDLO CC[C@@H](Cc1ccccc1)[NH+]1CC(C#N)C1 ZINC001258845361 991880091 /nfs/dbraw/zinc/88/00/91/991880091.db2.gz ZTRLUGAGRNADDO-AWEZNQCLSA-N 1 2 214.312 2.463 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)CCCC)C1 ZINC001567791559 992095642 /nfs/dbraw/zinc/09/56/42/992095642.db2.gz NTIXNEPTDDUISG-GFCCVEGCSA-N 1 2 238.375 2.189 20 30 BEEDLO CC#CCSCc1cc[nH+]c(N(C)C)c1 ZINC001320278538 992151390 /nfs/dbraw/zinc/15/13/90/992151390.db2.gz NAUUEEYWDUPCPT-UHFFFAOYSA-N 1 2 220.341 2.404 20 30 BEEDLO CC#CCCCC(=O)Nc1c(C)c[nH+]cc1C ZINC001262805041 993069249 /nfs/dbraw/zinc/06/92/49/993069249.db2.gz CBIQCGDWHMEBNJ-UHFFFAOYSA-N 1 2 230.311 2.252 20 30 BEEDLO C[C@@H]1C[C@H]([NH2+]CCC#N)CN1Cc1ccccc1 ZINC000382033246 993436166 /nfs/dbraw/zinc/43/61/66/993436166.db2.gz FJEQORJUTKQDOC-HIFRSBDPSA-N 1 2 243.354 2.153 20 30 BEEDLO C=CCN(CC=C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001290090214 994522384 /nfs/dbraw/zinc/52/23/84/994522384.db2.gz GBLZARCTQBGVOB-UHFFFAOYSA-N 1 2 241.294 2.377 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)/C(C)=C\CC ZINC001492210072 995034452 /nfs/dbraw/zinc/03/44/52/995034452.db2.gz SXFOQFUGGQHBCF-POHAHGRESA-N 1 2 244.766 2.143 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)/C(C)=C\CC ZINC001492210072 995034457 /nfs/dbraw/zinc/03/44/57/995034457.db2.gz SXFOQFUGGQHBCF-POHAHGRESA-N 1 2 244.766 2.143 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)C(C)C ZINC001317463186 995255058 /nfs/dbraw/zinc/25/50/58/995255058.db2.gz DCEGUHKHSSDWAC-NSHDSACASA-N 1 2 246.782 2.079 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)C(C)C ZINC001317463186 995255068 /nfs/dbraw/zinc/25/50/68/995255068.db2.gz DCEGUHKHSSDWAC-NSHDSACASA-N 1 2 246.782 2.079 20 30 BEEDLO C=CCC1(O)C[NH+](C/C=C\c2cccc(F)c2)C1 ZINC001621566229 1170162885 /nfs/dbraw/zinc/16/28/85/1170162885.db2.gz FBFQZBYNUPFMBN-XQRVVYSFSA-N 1 2 247.313 2.462 20 30 BEEDLO C#C[C@@H](CC)[NH2+]Cc1ccc(O)c(F)c1F ZINC001621319116 1170192634 /nfs/dbraw/zinc/19/26/34/1170192634.db2.gz WTIWJOVXPVWCFD-VIFPVBQESA-N 1 2 225.238 2.172 20 30 BEEDLO C#C[C@H](CC)[NH2+]Cc1ccc(O)c(F)c1F ZINC001621319115 1170192742 /nfs/dbraw/zinc/19/27/42/1170192742.db2.gz WTIWJOVXPVWCFD-SECBINFHSA-N 1 2 225.238 2.172 20 30 BEEDLO CCc1cn(Cc2ccc(OCC#N)cc2)c[nH+]1 ZINC001614961476 1170501225 /nfs/dbraw/zinc/50/12/25/1170501225.db2.gz SMNHDHKXJXTKQP-UHFFFAOYSA-N 1 2 241.294 2.396 20 30 BEEDLO Cc1ccoc1C[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001618154837 1170619707 /nfs/dbraw/zinc/61/97/07/1170619707.db2.gz XPZOTHUOJCRJDP-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1ccoc1C[N@H+](C)Cc1cc(C#N)ccn1 ZINC001618154837 1170619715 /nfs/dbraw/zinc/61/97/15/1170619715.db2.gz XPZOTHUOJCRJDP-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO CCCn1c[nH+]cc1CN(C[C@H](C)C#N)C1CC1 ZINC001621164900 1170729408 /nfs/dbraw/zinc/72/94/08/1170729408.db2.gz QCAUOPZRLDHZCU-GFCCVEGCSA-N 1 2 246.358 2.417 20 30 BEEDLO Cn1c[nH+]cc1COc1cccc(F)c1C#N ZINC000155636689 136213118 /nfs/dbraw/zinc/21/31/18/136213118.db2.gz MKXZRWJDPLVDIC-UHFFFAOYSA-N 1 2 231.230 2.010 20 30 BEEDLO CC[C@H](c1ccncc1)[N@H+](C)CCC#N ZINC000299677296 398151245 /nfs/dbraw/zinc/15/12/45/398151245.db2.gz MRMYDMQAAGZZQG-GFCCVEGCSA-N 1 2 203.289 2.378 20 30 BEEDLO CC[C@H](c1ccncc1)[N@@H+](C)CCC#N ZINC000299677296 398151252 /nfs/dbraw/zinc/15/12/52/398151252.db2.gz MRMYDMQAAGZZQG-GFCCVEGCSA-N 1 2 203.289 2.378 20 30 BEEDLO C=CC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000302918220 136215055 /nfs/dbraw/zinc/21/50/55/136215055.db2.gz XQDSLOGXWRMLIP-UHFFFAOYSA-N 1 2 238.722 2.115 20 30 BEEDLO C=CC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000302918220 136215056 /nfs/dbraw/zinc/21/50/56/136215056.db2.gz XQDSLOGXWRMLIP-UHFFFAOYSA-N 1 2 238.722 2.115 20 30 BEEDLO Cc1cc(NCc2cccc(C#N)c2)nc[nH+]1 ZINC000040727283 178172656 /nfs/dbraw/zinc/17/26/56/178172656.db2.gz NCLDDZBAFSAFSH-UHFFFAOYSA-N 1 2 224.267 2.269 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191895038 361776214 /nfs/dbraw/zinc/77/62/14/361776214.db2.gz FYSLTVODPQTEDB-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191895038 361776219 /nfs/dbraw/zinc/77/62/19/361776219.db2.gz FYSLTVODPQTEDB-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO C=C[C@H](C)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421363472 192333703 /nfs/dbraw/zinc/33/37/03/192333703.db2.gz LNYOUCLXFMINJK-ZETCQYMHSA-N 1 2 213.712 2.046 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)NCc1c[nH+]ccc1OC ZINC000293346740 136229327 /nfs/dbraw/zinc/22/93/27/136229327.db2.gz LLUMWSWCMPLTIB-NSHDSACASA-N 1 2 248.326 2.309 20 30 BEEDLO CC[N@@H+](Cc1cccc(F)c1N)C[C@@H](C)C#N ZINC000602448513 349549460 /nfs/dbraw/zinc/54/94/60/349549460.db2.gz VSHOMVWCHCDWJY-JTQLQIEISA-N 1 2 235.306 2.389 20 30 BEEDLO CC[N@H+](Cc1cccc(F)c1N)C[C@@H](C)C#N ZINC000602448513 349549464 /nfs/dbraw/zinc/54/94/64/349549464.db2.gz VSHOMVWCHCDWJY-JTQLQIEISA-N 1 2 235.306 2.389 20 30 BEEDLO Cc1ncc([C@@H](C)[N@@H+](C)[C@H](C)CC#N)c(C)n1 ZINC000602461512 349555692 /nfs/dbraw/zinc/55/56/92/349555692.db2.gz GSBPOQOMITZLDT-MWLCHTKSSA-N 1 2 232.331 2.388 20 30 BEEDLO Cc1ncc([C@@H](C)[N@H+](C)[C@H](C)CC#N)c(C)n1 ZINC000602461512 349555694 /nfs/dbraw/zinc/55/56/94/349555694.db2.gz GSBPOQOMITZLDT-MWLCHTKSSA-N 1 2 232.331 2.388 20 30 BEEDLO C=CCCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000649468989 398268073 /nfs/dbraw/zinc/26/80/73/398268073.db2.gz SIBWMXJJXNIDKM-SNVBAGLBSA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000649468989 398268075 /nfs/dbraw/zinc/26/80/75/398268075.db2.gz SIBWMXJJXNIDKM-SNVBAGLBSA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000649468988 398268173 /nfs/dbraw/zinc/26/81/73/398268173.db2.gz SIBWMXJJXNIDKM-JTQLQIEISA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000649468988 398268174 /nfs/dbraw/zinc/26/81/74/398268174.db2.gz SIBWMXJJXNIDKM-JTQLQIEISA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000649473977 398272474 /nfs/dbraw/zinc/27/24/74/398272474.db2.gz WKVPZSZSQOZBNZ-JTQLQIEISA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000649473977 398272476 /nfs/dbraw/zinc/27/24/76/398272476.db2.gz WKVPZSZSQOZBNZ-JTQLQIEISA-N 1 2 219.275 2.045 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccncc1Cl ZINC000600144730 342689712 /nfs/dbraw/zinc/68/97/12/342689712.db2.gz NLQPHSBUGYYJEH-MRVPVSSYSA-N 1 2 209.680 2.127 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1ccncc1Cl ZINC000600145435 342690086 /nfs/dbraw/zinc/69/00/86/342690086.db2.gz QFKFWEQJYUKHBT-UHFFFAOYSA-N 1 2 223.707 2.374 20 30 BEEDLO Cc1ncc(C[N@@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000600146387 342690159 /nfs/dbraw/zinc/69/01/59/342690159.db2.gz VRMPLYCJJGJWAY-GFCCVEGCSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1ncc(C[N@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000600146387 342690161 /nfs/dbraw/zinc/69/01/61/342690161.db2.gz VRMPLYCJJGJWAY-GFCCVEGCSA-N 1 2 219.288 2.109 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cnc(C2CC2)o1 ZINC000600150872 342691352 /nfs/dbraw/zinc/69/13/52/342691352.db2.gz IDRXWNZGXNLULZ-SNVBAGLBSA-N 1 2 219.288 2.334 20 30 BEEDLO Cc1noc(C)c1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000309593037 342729122 /nfs/dbraw/zinc/72/91/22/342729122.db2.gz VHXGCKQITRAWCD-MRVPVSSYSA-N 1 2 219.288 2.246 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000309602480 342732404 /nfs/dbraw/zinc/73/24/04/342732404.db2.gz XYGCFDMHNYQRJV-SECBINFHSA-N 1 2 235.356 2.271 20 30 BEEDLO CCc1cnc(C[NH2+]CC(C)(C)C#N)s1 ZINC000336755636 342830479 /nfs/dbraw/zinc/83/04/79/342830479.db2.gz IAKPDHYHPCLVLC-UHFFFAOYSA-N 1 2 223.345 2.345 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000602606888 349629056 /nfs/dbraw/zinc/62/90/56/349629056.db2.gz FAPFONUOHSKMPB-MRVPVSSYSA-N 1 2 233.246 2.216 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccnn1CC1CCC1 ZINC000602609477 349632821 /nfs/dbraw/zinc/63/28/21/349632821.db2.gz CIZAJQRMXSYXEH-CYBMUJFWSA-N 1 2 246.358 2.465 20 30 BEEDLO CCOc1ccc(OCC[N@H+](C)CCC#N)cc1 ZINC000096969344 398314471 /nfs/dbraw/zinc/31/44/71/398314471.db2.gz DTZQVSQTOSHVSG-UHFFFAOYSA-N 1 2 248.326 2.310 20 30 BEEDLO CCOc1ccc(OCC[N@@H+](C)CCC#N)cc1 ZINC000096969344 398314474 /nfs/dbraw/zinc/31/44/74/398314474.db2.gz DTZQVSQTOSHVSG-UHFFFAOYSA-N 1 2 248.326 2.310 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000602613242 349636868 /nfs/dbraw/zinc/63/68/68/349636868.db2.gz UWDDYWLVWBZEAO-RYUDHWBXSA-N 1 2 232.331 2.153 20 30 BEEDLO C=CCN(Cc1[nH]cc(C)[nH+]1)CC(F)(F)F ZINC000628154093 398336146 /nfs/dbraw/zinc/33/61/46/398336146.db2.gz MPBZUAZHLAWZEA-UHFFFAOYSA-N 1 2 233.237 2.268 20 30 BEEDLO COC[C@@H](C)C[N@H+](CCC#N)Cc1ccco1 ZINC000189537825 346896734 /nfs/dbraw/zinc/89/67/34/346896734.db2.gz KQIADXXSXBXVMP-LBPRGKRZSA-N 1 2 236.315 2.278 20 30 BEEDLO COC[C@@H](C)C[N@@H+](CCC#N)Cc1ccco1 ZINC000189537825 346896737 /nfs/dbraw/zinc/89/67/37/346896737.db2.gz KQIADXXSXBXVMP-LBPRGKRZSA-N 1 2 236.315 2.278 20 30 BEEDLO Cc1ncc([C@@H](C)[N@@H+]2CC[C@](C)(C#N)C2)c(C)n1 ZINC000602716861 349707067 /nfs/dbraw/zinc/70/70/67/349707067.db2.gz GAWSERPAEAKYDJ-BXUZGUMPSA-N 1 2 244.342 2.390 20 30 BEEDLO Cc1ncc([C@@H](C)[N@H+]2CC[C@](C)(C#N)C2)c(C)n1 ZINC000602716861 349707069 /nfs/dbraw/zinc/70/70/69/349707069.db2.gz GAWSERPAEAKYDJ-BXUZGUMPSA-N 1 2 244.342 2.390 20 30 BEEDLO N#CCC1(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)CC1 ZINC000602769213 349723872 /nfs/dbraw/zinc/72/38/72/349723872.db2.gz SLOFXUQXDPPVDC-GFCCVEGCSA-N 1 2 244.342 2.283 20 30 BEEDLO N#CCC1(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)CC1 ZINC000602769213 349723876 /nfs/dbraw/zinc/72/38/76/349723876.db2.gz SLOFXUQXDPPVDC-GFCCVEGCSA-N 1 2 244.342 2.283 20 30 BEEDLO C=C(C)C[C@H]([NH2+]Cc1cccs1)C(=O)OC ZINC000602730770 349717395 /nfs/dbraw/zinc/71/73/95/349717395.db2.gz GKFKGNOUDQZPIV-NSHDSACASA-N 1 2 239.340 2.346 20 30 BEEDLO CCC[C@](C)([NH2+]CC1(CC#N)CC1)C(=O)OC ZINC000602784621 349749662 /nfs/dbraw/zinc/74/96/62/349749662.db2.gz UKDQXGYCTAEWQW-LBPRGKRZSA-N 1 2 238.331 2.002 20 30 BEEDLO COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)CC#N)o1 ZINC000602860344 349772026 /nfs/dbraw/zinc/77/20/26/349772026.db2.gz COIQCTFUHOYGCL-IUCAKERBSA-N 1 2 236.271 2.019 20 30 BEEDLO C[N@H+](CCC#N)C[C@H](O)c1ccccc1Cl ZINC000177181084 346923501 /nfs/dbraw/zinc/92/35/01/346923501.db2.gz ZSDSEGHMTONZMJ-LBPRGKRZSA-N 1 2 238.718 2.219 20 30 BEEDLO C[N@@H+](CCC#N)C[C@H](O)c1ccccc1Cl ZINC000177181084 346923502 /nfs/dbraw/zinc/92/35/02/346923502.db2.gz ZSDSEGHMTONZMJ-LBPRGKRZSA-N 1 2 238.718 2.219 20 30 BEEDLO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)c1 ZINC000602864455 349796158 /nfs/dbraw/zinc/79/61/58/349796158.db2.gz RJTCZCJTWBFKIR-NWDGAFQWSA-N 1 2 245.326 2.214 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1ncc(Cl)n1C ZINC000052890424 343117663 /nfs/dbraw/zinc/11/76/63/343117663.db2.gz SIUNVTPSPUNBNK-UHFFFAOYSA-N 1 2 227.739 2.472 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1ncc(Cl)n1C ZINC000052890424 343117665 /nfs/dbraw/zinc/11/76/65/343117665.db2.gz SIUNVTPSPUNBNK-UHFFFAOYSA-N 1 2 227.739 2.472 20 30 BEEDLO C=C(C)C[N@@H+](CC)[C@@H](C)c1noc(C)n1 ZINC000278623595 187239989 /nfs/dbraw/zinc/23/99/89/187239989.db2.gz NNUJOWLOTDKJNI-VIFPVBQESA-N 1 2 209.293 2.337 20 30 BEEDLO C=C(C)C[N@H+](CC)[C@@H](C)c1noc(C)n1 ZINC000278623595 187239991 /nfs/dbraw/zinc/23/99/91/187239991.db2.gz NNUJOWLOTDKJNI-VIFPVBQESA-N 1 2 209.293 2.337 20 30 BEEDLO C=CCC(CC=C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000268128384 187235454 /nfs/dbraw/zinc/23/54/54/187235454.db2.gz DTFWFIKHOKJNDN-GFCCVEGCSA-N 1 2 247.342 2.156 20 30 BEEDLO CCc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1 ZINC000602869148 349799939 /nfs/dbraw/zinc/79/99/39/349799939.db2.gz MSVIIZGOGPULDR-NSHDSACASA-N 1 2 245.326 2.079 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000124903758 343165085 /nfs/dbraw/zinc/16/50/85/343165085.db2.gz SGMSRYWTQGLAPD-LBPRGKRZSA-N 1 2 240.310 2.122 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cccnc1C(F)(F)F ZINC000602868385 349799156 /nfs/dbraw/zinc/79/91/56/349799156.db2.gz BBDGDPRZLSOBDO-QMMMGPOBSA-N 1 2 243.232 2.492 20 30 BEEDLO N#CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000042549153 136272903 /nfs/dbraw/zinc/27/29/03/136272903.db2.gz RXYJDXSTZGILMC-UHFFFAOYSA-N 1 2 245.282 2.473 20 30 BEEDLO N#CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000042549153 136272904 /nfs/dbraw/zinc/27/29/04/136272904.db2.gz RXYJDXSTZGILMC-UHFFFAOYSA-N 1 2 245.282 2.473 20 30 BEEDLO CO[C@H](C)[C@@H](C)[NH2+][C@H](C#N)C1CCCCC1 ZINC000336751914 136275426 /nfs/dbraw/zinc/27/54/26/136275426.db2.gz DBHCKMIOKFJZKD-NQBHXWOUSA-N 1 2 224.348 2.472 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2cscn2)CC1 ZINC000272629145 136282604 /nfs/dbraw/zinc/28/26/04/136282604.db2.gz VYWPUIIJCGEXFX-UHFFFAOYSA-N 1 2 221.329 2.269 20 30 BEEDLO Cc1cc(N)nc(SCCCCC#N)[nH+]1 ZINC000122075301 136277901 /nfs/dbraw/zinc/27/79/01/136277901.db2.gz YJIZICZXSPZQGR-UHFFFAOYSA-N 1 2 222.317 2.153 20 30 BEEDLO CO[C@H](Cc1ccccc1)C[N@H+](C)CCC#N ZINC000295137436 136290367 /nfs/dbraw/zinc/29/03/67/136290367.db2.gz ZBEQVPFOXYUJRN-CQSZACIVSA-N 1 2 232.327 2.090 20 30 BEEDLO CO[C@H](Cc1ccccc1)C[N@@H+](C)CCC#N ZINC000295137436 136290368 /nfs/dbraw/zinc/29/03/68/136290368.db2.gz ZBEQVPFOXYUJRN-CQSZACIVSA-N 1 2 232.327 2.090 20 30 BEEDLO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC#N ZINC000177544839 346932021 /nfs/dbraw/zinc/93/20/21/346932021.db2.gz HRPCVPIOJUTDLF-YPMHNXCESA-N 1 2 200.285 2.388 20 30 BEEDLO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC#N ZINC000177544839 346932024 /nfs/dbraw/zinc/93/20/24/346932024.db2.gz HRPCVPIOJUTDLF-YPMHNXCESA-N 1 2 200.285 2.388 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1nc(C)cs1 ZINC000038091485 187254572 /nfs/dbraw/zinc/25/45/72/187254572.db2.gz BWAAPJHLTKNOAD-UHFFFAOYSA-N 1 2 202.710 2.294 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000310215592 343393091 /nfs/dbraw/zinc/39/30/91/343393091.db2.gz IQRGWAZLKNJPSU-JTQLQIEISA-N 1 2 232.331 2.023 20 30 BEEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCSC1 ZINC000329442024 136366070 /nfs/dbraw/zinc/36/60/70/136366070.db2.gz AOPDJNWDXJTIRR-SECBINFHSA-N 1 2 239.344 2.318 20 30 BEEDLO C[N@H+](Cc1ccc(C#N)o1)CC(C)(C)C#N ZINC000354011879 136368140 /nfs/dbraw/zinc/36/81/40/136368140.db2.gz WLCDPHDAGQIWCX-UHFFFAOYSA-N 1 2 217.272 2.133 20 30 BEEDLO C[N@@H+](Cc1ccc(C#N)o1)CC(C)(C)C#N ZINC000354011879 136368141 /nfs/dbraw/zinc/36/81/41/136368141.db2.gz WLCDPHDAGQIWCX-UHFFFAOYSA-N 1 2 217.272 2.133 20 30 BEEDLO COC1(C[N@@H+]2CC[C@](F)(C#N)C2)CCCCC1 ZINC000616734290 343555791 /nfs/dbraw/zinc/55/57/91/343555791.db2.gz YBYCKRHRJKNDPZ-LBPRGKRZSA-N 1 2 240.322 2.273 20 30 BEEDLO COC1(C[N@H+]2CC[C@](F)(C#N)C2)CCCCC1 ZINC000616734290 343555795 /nfs/dbraw/zinc/55/57/95/343555795.db2.gz YBYCKRHRJKNDPZ-LBPRGKRZSA-N 1 2 240.322 2.273 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000042315675 187265902 /nfs/dbraw/zinc/26/59/02/187265902.db2.gz UMTPFOITAPRJDK-LLVKDONJSA-N 1 2 218.300 2.429 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000042315675 187265904 /nfs/dbraw/zinc/26/59/04/187265904.db2.gz UMTPFOITAPRJDK-LLVKDONJSA-N 1 2 218.300 2.429 20 30 BEEDLO N#Cc1ccc(CNc2cc[nH+]cc2F)c(F)c1 ZINC000335873734 344035576 /nfs/dbraw/zinc/03/55/76/344035576.db2.gz WFOSXZHWAFXVFV-UHFFFAOYSA-N 1 2 245.232 2.265 20 30 BEEDLO COc1cc[nH+]c(CN(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602975972 349839903 /nfs/dbraw/zinc/83/99/03/349839903.db2.gz JIQNDTJOMPKGGA-BXUZGUMPSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccnc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602975972 349839905 /nfs/dbraw/zinc/83/99/05/349839905.db2.gz JIQNDTJOMPKGGA-BXUZGUMPSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccnc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602975972 349839906 /nfs/dbraw/zinc/83/99/06/349839906.db2.gz JIQNDTJOMPKGGA-BXUZGUMPSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cn1 ZINC000602977635 349841936 /nfs/dbraw/zinc/84/19/36/349841936.db2.gz DSTBVGAJRDEMFA-QWHCGFSZSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cn1 ZINC000602977635 349841940 /nfs/dbraw/zinc/84/19/40/349841940.db2.gz DSTBVGAJRDEMFA-QWHCGFSZSA-N 1 2 245.326 2.214 20 30 BEEDLO C[N@H+](Cc1cncc(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602979363 349844383 /nfs/dbraw/zinc/84/43/83/349844383.db2.gz CKKOQUATPGJMIL-DGCLKSJQSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1cncc(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602979363 349844385 /nfs/dbraw/zinc/84/43/85/349844385.db2.gz CKKOQUATPGJMIL-DGCLKSJQSA-N 1 2 233.290 2.345 20 30 BEEDLO COc1ncccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980679 349846311 /nfs/dbraw/zinc/84/63/11/349846311.db2.gz TUVBDGQIAXJLIW-DGCLKSJQSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ncccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980679 349846313 /nfs/dbraw/zinc/84/63/13/349846313.db2.gz TUVBDGQIAXJLIW-DGCLKSJQSA-N 1 2 245.326 2.214 20 30 BEEDLO N#CC[N@@H+](C[C@@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000393295925 343792965 /nfs/dbraw/zinc/79/29/65/343792965.db2.gz UULASHAFLVSSPI-JSGCOSHPSA-N 1 2 236.359 2.306 20 30 BEEDLO N#CC[N@H+](C[C@@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000393295925 343792968 /nfs/dbraw/zinc/79/29/68/343792968.db2.gz UULASHAFLVSSPI-JSGCOSHPSA-N 1 2 236.359 2.306 20 30 BEEDLO CC(C)n1cc(C[N@H+](C)[C@@H](C)CC#N)cn1 ZINC000179452734 346985691 /nfs/dbraw/zinc/98/56/91/346985691.db2.gz XCFJUXLLFREQNV-NSHDSACASA-N 1 2 220.320 2.198 20 30 BEEDLO CC(C)n1cc(C[N@@H+](C)[C@@H](C)CC#N)cn1 ZINC000179452734 346985692 /nfs/dbraw/zinc/98/56/92/346985692.db2.gz XCFJUXLLFREQNV-NSHDSACASA-N 1 2 220.320 2.198 20 30 BEEDLO Cc1cc(N2CCC[C@H](F)C2)c(C#N)c[nH+]1 ZINC000335107837 343928032 /nfs/dbraw/zinc/92/80/32/343928032.db2.gz KQNZZTLWDJOYCI-NSHDSACASA-N 1 2 219.263 2.200 20 30 BEEDLO CC(C)(C)[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CCO1 ZINC000447833966 201741969 /nfs/dbraw/zinc/74/19/69/201741969.db2.gz VFMKWEVVIPSCFR-STQMWFEESA-N 1 2 249.358 2.177 20 30 BEEDLO CC(C)(C)[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCO1 ZINC000447833966 201741972 /nfs/dbraw/zinc/74/19/72/201741972.db2.gz VFMKWEVVIPSCFR-STQMWFEESA-N 1 2 249.358 2.177 20 30 BEEDLO C=C(C[NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000309394780 347046149 /nfs/dbraw/zinc/04/61/49/347046149.db2.gz VCPSMASCKAJDEF-UHFFFAOYSA-N 1 2 213.284 2.213 20 30 BEEDLO C=C[C@H]([NH2+]CC[C@@H]1CC=CCC1)C(=O)OC ZINC000600613311 344336409 /nfs/dbraw/zinc/33/64/09/344336409.db2.gz HLSMTIQHOURLAZ-NEPJUHHUSA-N 1 2 223.316 2.050 20 30 BEEDLO C=C[C@@H]([NH2+]CC[C@H]1CC=CCC1)C(=O)OC ZINC000600613312 344336556 /nfs/dbraw/zinc/33/65/56/344336556.db2.gz HLSMTIQHOURLAZ-NWDGAFQWSA-N 1 2 223.316 2.050 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)on1 ZINC000600859967 344383363 /nfs/dbraw/zinc/38/33/63/344383363.db2.gz ORHWMNCRHIGGCR-PWSUYJOCSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)on1 ZINC000600859967 344383364 /nfs/dbraw/zinc/38/33/64/344383364.db2.gz ORHWMNCRHIGGCR-PWSUYJOCSA-N 1 2 219.288 2.107 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](CC)Cc1ccccc1 ZINC000306712657 344412461 /nfs/dbraw/zinc/41/24/61/344412461.db2.gz OWKYWIQVGACMHR-ZDUSSCGKSA-N 1 2 233.311 2.236 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccccc1 ZINC000306712657 344412463 /nfs/dbraw/zinc/41/24/63/344412463.db2.gz OWKYWIQVGACMHR-ZDUSSCGKSA-N 1 2 233.311 2.236 20 30 BEEDLO CC[N@@H+](Cc1cccnc1)C[C@@H](C)C#N ZINC000042449605 344454635 /nfs/dbraw/zinc/45/46/35/344454635.db2.gz NEWBEXCVGXOYTQ-NSHDSACASA-N 1 2 203.289 2.063 20 30 BEEDLO CC[N@H+](Cc1cccnc1)C[C@@H](C)C#N ZINC000042449605 344454636 /nfs/dbraw/zinc/45/46/36/344454636.db2.gz NEWBEXCVGXOYTQ-NSHDSACASA-N 1 2 203.289 2.063 20 30 BEEDLO Cc1cc(C[NH2+]Cc2ccc(C#N)s2)no1 ZINC000135497818 344484575 /nfs/dbraw/zinc/48/45/75/344484575.db2.gz OVWRVMOLOFZMFX-UHFFFAOYSA-N 1 2 233.296 2.206 20 30 BEEDLO COc1ccc(N[C@H]2CC[C@H](C#N)C2)[nH+]c1 ZINC000381355471 344496885 /nfs/dbraw/zinc/49/68/85/344496885.db2.gz CZVUXQBXFXYEJQ-UWVGGRQHSA-N 1 2 217.272 2.194 20 30 BEEDLO Cc1[nH]ncc1[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000381349566 344496949 /nfs/dbraw/zinc/49/69/49/344496949.db2.gz ARVVUUUUPXTCFA-VIFPVBQESA-N 1 2 218.304 2.063 20 30 BEEDLO COc1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000560144554 344647089 /nfs/dbraw/zinc/64/70/89/344647089.db2.gz YRFGTFGQKWLWHB-LBPRGKRZSA-N 1 2 243.310 2.228 20 30 BEEDLO Cc1ccc([C@@H]2COCC[N@@H+]2CCCC#N)o1 ZINC000116895983 344737579 /nfs/dbraw/zinc/73/75/79/344737579.db2.gz WLDDIXKAKFBPEA-LBPRGKRZSA-N 1 2 234.299 2.265 20 30 BEEDLO Cc1ccc([C@@H]2COCC[N@H+]2CCCC#N)o1 ZINC000116895983 344737582 /nfs/dbraw/zinc/73/75/82/344737582.db2.gz WLDDIXKAKFBPEA-LBPRGKRZSA-N 1 2 234.299 2.265 20 30 BEEDLO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C#N)n(C)c2)o1 ZINC000235183916 344838495 /nfs/dbraw/zinc/83/84/95/344838495.db2.gz UBGHIIIYNGSBIM-SNVBAGLBSA-N 1 2 244.298 2.044 20 30 BEEDLO N#Cc1ccc(OCCNc2cccc[nH+]2)cc1 ZINC000078403729 344860398 /nfs/dbraw/zinc/86/03/98/344860398.db2.gz MIFYRDBXYNAYRR-UHFFFAOYSA-N 1 2 239.278 2.444 20 30 BEEDLO C=C1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000628164479 344872709 /nfs/dbraw/zinc/87/27/09/344872709.db2.gz RFFQQIRJACMIOM-UHFFFAOYSA-N 1 2 205.305 2.179 20 30 BEEDLO C=C1CC[NH+](Cc2nc(C)c(C)[nH]2)CC1 ZINC000628164479 344872711 /nfs/dbraw/zinc/87/27/11/344872711.db2.gz RFFQQIRJACMIOM-UHFFFAOYSA-N 1 2 205.305 2.179 20 30 BEEDLO CCc1nc(C)c(C[NH2+]C[C@@H](C#N)CCC#N)o1 ZINC000583417560 344926797 /nfs/dbraw/zinc/92/67/97/344926797.db2.gz AQEGPJKLLCZONC-LLVKDONJSA-N 1 2 246.314 2.079 20 30 BEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc[nH+]cc1F ZINC000641548516 362496516 /nfs/dbraw/zinc/49/65/16/362496516.db2.gz LUEHGTBBCWSTBB-GXFFZTMASA-N 1 2 236.290 2.036 20 30 BEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCC#N ZINC000122884575 344978762 /nfs/dbraw/zinc/97/87/62/344978762.db2.gz WWSIWUYKDCSDJL-NSHDSACASA-N 1 2 213.284 2.465 20 30 BEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCC#N ZINC000122884575 344978764 /nfs/dbraw/zinc/97/87/64/344978764.db2.gz WWSIWUYKDCSDJL-NSHDSACASA-N 1 2 213.284 2.465 20 30 BEEDLO Cc1ncsc1C[N@@H+](C)CC(C)(C)C#N ZINC000354041046 344993971 /nfs/dbraw/zinc/99/39/71/344993971.db2.gz QRFHGPMLSIRROE-UHFFFAOYSA-N 1 2 223.345 2.433 20 30 BEEDLO Cc1ncsc1C[N@H+](C)CC(C)(C)C#N ZINC000354041046 344993974 /nfs/dbraw/zinc/99/39/74/344993974.db2.gz QRFHGPMLSIRROE-UHFFFAOYSA-N 1 2 223.345 2.433 20 30 BEEDLO Cc1cc(NC[C@H]2CCC(C)(C)O2)c(C#N)c[nH+]1 ZINC000425244766 192085789 /nfs/dbraw/zinc/08/57/89/192085789.db2.gz SOHLSWIUYBMGQT-GFCCVEGCSA-N 1 2 245.326 2.053 20 30 BEEDLO CO[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C[C@@H]1C ZINC000425266463 192086275 /nfs/dbraw/zinc/08/62/75/192086275.db2.gz IDBRRCVPYIVULB-HZMBPMFUSA-N 1 2 245.326 2.123 20 30 BEEDLO C=CCCCC(=O)NCCCCn1cc[nH+]c1 ZINC000531359716 323088054 /nfs/dbraw/zinc/08/80/54/323088054.db2.gz OTBPCQYRCLKTSW-UHFFFAOYSA-N 1 2 235.331 2.136 20 30 BEEDLO C#CC[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000084116563 345511177 /nfs/dbraw/zinc/51/11/77/345511177.db2.gz MCHUEDJXPUGXDX-AWEZNQCLSA-N 1 2 239.322 2.343 20 30 BEEDLO C#CC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000084116563 345511180 /nfs/dbraw/zinc/51/11/80/345511180.db2.gz MCHUEDJXPUGXDX-AWEZNQCLSA-N 1 2 239.322 2.343 20 30 BEEDLO N#CC1CCC(CNc2cc[nH+]cc2F)CC1 ZINC000603367689 349933757 /nfs/dbraw/zinc/93/37/57/349933757.db2.gz BDZIYNJXJWDVLN-UHFFFAOYSA-N 1 2 233.290 2.384 20 30 BEEDLO C=CCCC(C)(C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000620864692 345872178 /nfs/dbraw/zinc/87/21/78/345872178.db2.gz KZRVXTNGNPXFTJ-NSHDSACASA-N 1 2 249.358 2.449 20 30 BEEDLO C=CCCC(C)(C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000620864692 345872184 /nfs/dbraw/zinc/87/21/84/345872184.db2.gz KZRVXTNGNPXFTJ-NSHDSACASA-N 1 2 249.358 2.449 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635770367 346059991 /nfs/dbraw/zinc/05/99/91/346059991.db2.gz MGAFCRJRBDTSRM-IJLUTSLNSA-N 1 2 247.342 2.374 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635770367 346059994 /nfs/dbraw/zinc/05/99/94/346059994.db2.gz MGAFCRJRBDTSRM-IJLUTSLNSA-N 1 2 247.342 2.374 20 30 BEEDLO N#CCc1cc[nH+]c(NCc2cncs2)c1 ZINC000381564922 346359315 /nfs/dbraw/zinc/35/93/15/346359315.db2.gz SXFVYDLPKIUGLR-UHFFFAOYSA-N 1 2 230.296 2.216 20 30 BEEDLO C=CCCSCCNc1cc[nH+]cc1F ZINC000603408733 349958770 /nfs/dbraw/zinc/95/87/70/349958770.db2.gz OZOJWLLFVIQGCW-UHFFFAOYSA-N 1 2 226.320 2.364 20 30 BEEDLO C=C(C)CN(CC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000580080995 346516080 /nfs/dbraw/zinc/51/60/80/346516080.db2.gz ZMKWEFRKYPUWLK-GFCCVEGCSA-N 1 2 235.331 2.259 20 30 BEEDLO COC[C@H](C)C[N@H+](CCC#N)Cc1ccccn1 ZINC000187181913 346560086 /nfs/dbraw/zinc/56/00/86/346560086.db2.gz MJCYBFRLAAMZGF-CYBMUJFWSA-N 1 2 247.342 2.080 20 30 BEEDLO COC[C@H](C)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000187181913 346560089 /nfs/dbraw/zinc/56/00/89/346560089.db2.gz MJCYBFRLAAMZGF-CYBMUJFWSA-N 1 2 247.342 2.080 20 30 BEEDLO COc1cccc(/C=[NH+]/[C@@H]2CCCOCC2)c1O ZINC000182699028 347103037 /nfs/dbraw/zinc/10/30/37/347103037.db2.gz VCYKEZAVZXRNFC-JXCQQFQQSA-N 1 2 249.310 2.389 20 30 BEEDLO Cc1cnc([C@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000589991006 346760262 /nfs/dbraw/zinc/76/02/62/346760262.db2.gz SXVJRJSODRKFMK-GXTWGEPZSA-N 1 2 244.342 2.472 20 30 BEEDLO Cc1cnc([C@H](C)[N@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000589991006 346760264 /nfs/dbraw/zinc/76/02/64/346760264.db2.gz SXVJRJSODRKFMK-GXTWGEPZSA-N 1 2 244.342 2.472 20 30 BEEDLO N#Cc1c(F)cccc1C[N@H+]1CC=CCC1 ZINC000589990726 346760492 /nfs/dbraw/zinc/76/04/92/346760492.db2.gz GNEPCSARDPUXOV-UHFFFAOYSA-N 1 2 216.259 2.459 20 30 BEEDLO N#Cc1c(F)cccc1C[N@@H+]1CC=CCC1 ZINC000589990726 346760493 /nfs/dbraw/zinc/76/04/93/346760493.db2.gz GNEPCSARDPUXOV-UHFFFAOYSA-N 1 2 216.259 2.459 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccn(C(F)F)n1 ZINC000336745646 347153237 /nfs/dbraw/zinc/15/32/37/347153237.db2.gz VSVIWHWAHNSERH-QMMMGPOBSA-N 1 2 228.246 2.060 20 30 BEEDLO CSCCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000185785876 347214042 /nfs/dbraw/zinc/21/40/42/347214042.db2.gz LPWAKYOHJWKZNN-UHFFFAOYSA-N 1 2 242.319 2.134 20 30 BEEDLO N#CCC[NH2+]Cc1cc2ccccc2o1 ZINC000020200073 347412570 /nfs/dbraw/zinc/41/25/70/347412570.db2.gz RUGDWTXBLMEAAC-UHFFFAOYSA-N 1 2 200.241 2.436 20 30 BEEDLO CCc1noc(C)c1C[NH2+]C[C@H](C#N)CCC#N ZINC000582117896 347383728 /nfs/dbraw/zinc/38/37/28/347383728.db2.gz NDWIQPLBBPJMHX-NSHDSACASA-N 1 2 246.314 2.079 20 30 BEEDLO C=CC1CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000111259970 347473141 /nfs/dbraw/zinc/47/31/41/347473141.db2.gz QVPDESBBFNVJBK-UHFFFAOYSA-N 1 2 233.315 2.345 20 30 BEEDLO C=C[C@H]([NH2+][C@@H](C)CCC=C(C)C)C(=O)OC ZINC000591374975 347649872 /nfs/dbraw/zinc/64/98/72/347649872.db2.gz BWTSYWUUNJPOFW-RYUDHWBXSA-N 1 2 225.332 2.439 20 30 BEEDLO C=C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000591036873 347609334 /nfs/dbraw/zinc/60/93/34/347609334.db2.gz OKAISTUYTJJBKS-WHOHXGKFSA-N 1 2 225.332 2.128 20 30 BEEDLO CCC[C@H]([NH2+]CCC#N)c1ccccn1 ZINC000591734545 347694111 /nfs/dbraw/zinc/69/41/11/347694111.db2.gz NXCFUCWUQPZVLP-NSHDSACASA-N 1 2 203.289 2.426 20 30 BEEDLO COc1ccc2c(c1)OCC[C@H]2[NH2+]CCC#N ZINC000591745302 347695498 /nfs/dbraw/zinc/69/54/98/347695498.db2.gz KNUDYZFRZQNDTJ-GFCCVEGCSA-N 1 2 232.283 2.022 20 30 BEEDLO CCC1(O)CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000591820748 347700593 /nfs/dbraw/zinc/70/05/93/347700593.db2.gz JNTPYOMJCXIYMZ-UHFFFAOYSA-N 1 2 245.326 2.003 20 30 BEEDLO C[C@H]1SCC[N@H+](Cc2ccncc2C#N)[C@@H]1C ZINC000592069898 347727454 /nfs/dbraw/zinc/72/74/54/347727454.db2.gz YNDUXDOAXXNNDR-GHMZBOCLSA-N 1 2 247.367 2.279 20 30 BEEDLO C[C@H]1SCC[N@@H+](Cc2ccncc2C#N)[C@@H]1C ZINC000592069898 347727456 /nfs/dbraw/zinc/72/74/56/347727456.db2.gz YNDUXDOAXXNNDR-GHMZBOCLSA-N 1 2 247.367 2.279 20 30 BEEDLO CC1=CC[N@H+](Cc2ccncc2C#N)CC1 ZINC000592086493 347731123 /nfs/dbraw/zinc/73/11/23/347731123.db2.gz JPIMMNWQHVIHQM-UHFFFAOYSA-N 1 2 213.284 2.105 20 30 BEEDLO CC1=CC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000592086493 347731127 /nfs/dbraw/zinc/73/11/27/347731127.db2.gz JPIMMNWQHVIHQM-UHFFFAOYSA-N 1 2 213.284 2.105 20 30 BEEDLO CC[N@H+](CCSC)Cc1nc(C#N)cs1 ZINC000592201171 347752954 /nfs/dbraw/zinc/75/29/54/347752954.db2.gz CBCFJDSTWMGLTF-UHFFFAOYSA-N 1 2 241.385 2.200 20 30 BEEDLO CC[N@@H+](CCSC)Cc1nc(C#N)cs1 ZINC000592201171 347752956 /nfs/dbraw/zinc/75/29/56/347752956.db2.gz CBCFJDSTWMGLTF-UHFFFAOYSA-N 1 2 241.385 2.200 20 30 BEEDLO CC(C)Oc1cc[nH+]c(CN(CC#N)C2CC2)c1 ZINC000593008365 347841103 /nfs/dbraw/zinc/84/11/03/347841103.db2.gz LXEHVJDJCWYTKU-UHFFFAOYSA-N 1 2 245.326 2.357 20 30 BEEDLO CC#CC[N@@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC000593075859 347850759 /nfs/dbraw/zinc/85/07/59/347850759.db2.gz XOGSIDAHKAZDRZ-UHFFFAOYSA-N 1 2 237.343 2.063 20 30 BEEDLO CC#CC[N@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC000593075859 347850762 /nfs/dbraw/zinc/85/07/62/347850762.db2.gz XOGSIDAHKAZDRZ-UHFFFAOYSA-N 1 2 237.343 2.063 20 30 BEEDLO CC[C@H](C#N)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000593442606 347891305 /nfs/dbraw/zinc/89/13/05/347891305.db2.gz VDIBZUQVGGWHKG-GHMZBOCLSA-N 1 2 246.314 2.013 20 30 BEEDLO COCc1cc[nH+]c(N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000593698521 347930368 /nfs/dbraw/zinc/93/03/68/347930368.db2.gz RIJGGWQEEVREEK-ZYHUDNBSSA-N 1 2 231.299 2.332 20 30 BEEDLO C#CCn1ccc(C[N@H+](CC)C/C=C\Cl)n1 ZINC000491786838 490117802 /nfs/dbraw/zinc/11/78/02/490117802.db2.gz WTKHDRPNRAVCNX-ALCCZGGFSA-N 1 2 237.734 2.091 20 30 BEEDLO C#CCn1ccc(C[N@@H+](CC)C/C=C\Cl)n1 ZINC000491786838 490117806 /nfs/dbraw/zinc/11/78/06/490117806.db2.gz WTKHDRPNRAVCNX-ALCCZGGFSA-N 1 2 237.734 2.091 20 30 BEEDLO Cc1nc(C[NH2+][C@@H](C)CC#N)sc1C ZINC000308633537 347942320 /nfs/dbraw/zinc/94/23/20/347942320.db2.gz BTYZYJIWVSGFKU-ZETCQYMHSA-N 1 2 209.318 2.152 20 30 BEEDLO Cc1nc(C[NH2+][C@H](C)CC#N)sc1C ZINC000308633530 347942359 /nfs/dbraw/zinc/94/23/59/347942359.db2.gz BTYZYJIWVSGFKU-SSDOTTSWSA-N 1 2 209.318 2.152 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(Cl)cn1 ZINC000308645369 347983744 /nfs/dbraw/zinc/98/37/44/347983744.db2.gz HGBSRQFHBOGPBJ-QMMMGPOBSA-N 1 2 209.680 2.127 20 30 BEEDLO CCc1noc(C)c1C[NH2+][C@@H](CC)CC#N ZINC000594008847 347985205 /nfs/dbraw/zinc/98/52/05/347985205.db2.gz AMBUUTUYTKVOPJ-JTQLQIEISA-N 1 2 221.304 2.327 20 30 BEEDLO CC#CC[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594051378 347989894 /nfs/dbraw/zinc/98/98/94/347989894.db2.gz KDCPMYQGNXBGQO-UHFFFAOYSA-N 1 2 237.343 2.206 20 30 BEEDLO CC#CC[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594051378 347989895 /nfs/dbraw/zinc/98/98/95/347989895.db2.gz KDCPMYQGNXBGQO-UHFFFAOYSA-N 1 2 237.343 2.206 20 30 BEEDLO C[C@H]1C[C@H](NC(=O)CCCCC#N)c2[nH+]ccn21 ZINC000594040841 347994882 /nfs/dbraw/zinc/99/48/82/347994882.db2.gz IRNNHMAVTSYTSA-QWRGUYRKSA-N 1 2 246.314 2.089 20 30 BEEDLO COc1c(C)cccc1C[NH2+]CCC#N ZINC000594577456 348075141 /nfs/dbraw/zinc/07/51/41/348075141.db2.gz QYZVDFNXMRLXIV-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO C=C1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC000594754338 348111490 /nfs/dbraw/zinc/11/14/90/348111490.db2.gz QZAFIMMVWAFASI-SECBINFHSA-N 1 2 207.277 2.091 20 30 BEEDLO CCc1cc(N)nc(SCC2(CC#N)CC2)[nH+]1 ZINC000594900435 348133029 /nfs/dbraw/zinc/13/30/29/348133029.db2.gz PBTBCAYAJKNKLW-UHFFFAOYSA-N 1 2 248.355 2.238 20 30 BEEDLO N#CC[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000595301033 348218517 /nfs/dbraw/zinc/21/85/17/348218517.db2.gz HRBWKKLPBHSRCX-UTUOFQBUSA-N 1 2 204.317 2.411 20 30 BEEDLO N#CC[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000595301033 348218520 /nfs/dbraw/zinc/21/85/20/348218520.db2.gz HRBWKKLPBHSRCX-UTUOFQBUSA-N 1 2 204.317 2.411 20 30 BEEDLO CC1(C)CCCC[C@@H]1C[N@@H+]1CCO[C@H](C#N)C1 ZINC000595318445 348224681 /nfs/dbraw/zinc/22/46/81/348224681.db2.gz SEERJIRVVBBZCH-CHWSQXEVSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCCC[C@@H]1C[N@H+]1CCO[C@H](C#N)C1 ZINC000595318445 348224685 /nfs/dbraw/zinc/22/46/85/348224685.db2.gz SEERJIRVVBBZCH-CHWSQXEVSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C#N)C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000595465614 348257752 /nfs/dbraw/zinc/25/77/52/348257752.db2.gz DANSBFNJDCJGQB-UTUOFQBUSA-N 1 2 204.317 2.268 20 30 BEEDLO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)nc(C)n1 ZINC000595500370 348263121 /nfs/dbraw/zinc/26/31/21/348263121.db2.gz ISAALJHVZMLODI-UHFFFAOYSA-N 1 2 232.331 2.075 20 30 BEEDLO Cc1cc(C[N@H+](C)CC(C)(C)C#N)nc(C)n1 ZINC000595500370 348263125 /nfs/dbraw/zinc/26/31/25/348263125.db2.gz ISAALJHVZMLODI-UHFFFAOYSA-N 1 2 232.331 2.075 20 30 BEEDLO CC[C@@H](CC(F)F)C[N@@H+](CC#N)CCOC ZINC000595523461 348270708 /nfs/dbraw/zinc/27/07/08/348270708.db2.gz JORWOWDPNCHMEM-JTQLQIEISA-N 1 2 234.290 2.140 20 30 BEEDLO CC[C@@H](CC(F)F)C[N@H+](CC#N)CCOC ZINC000595523461 348270709 /nfs/dbraw/zinc/27/07/09/348270709.db2.gz JORWOWDPNCHMEM-JTQLQIEISA-N 1 2 234.290 2.140 20 30 BEEDLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595613300 348288377 /nfs/dbraw/zinc/28/83/77/348288377.db2.gz AIXTYQYBMLFDOJ-GHMZBOCLSA-N 1 2 248.330 2.319 20 30 BEEDLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595613300 348288378 /nfs/dbraw/zinc/28/83/78/348288378.db2.gz AIXTYQYBMLFDOJ-GHMZBOCLSA-N 1 2 248.330 2.319 20 30 BEEDLO N#CC[C@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000595622861 348290990 /nfs/dbraw/zinc/29/09/90/348290990.db2.gz FCUMINJUXRGTPQ-GFCCVEGCSA-N 1 2 240.310 2.079 20 30 BEEDLO N#CC[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000595622861 348290994 /nfs/dbraw/zinc/29/09/94/348290994.db2.gz FCUMINJUXRGTPQ-GFCCVEGCSA-N 1 2 240.310 2.079 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1cccc(N)c1 ZINC000595502961 348263634 /nfs/dbraw/zinc/26/36/34/348263634.db2.gz XULMVWPDXPDSTM-UHFFFAOYSA-N 1 2 215.300 2.170 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1cccc(N)c1 ZINC000595502961 348263637 /nfs/dbraw/zinc/26/36/37/348263637.db2.gz XULMVWPDXPDSTM-UHFFFAOYSA-N 1 2 215.300 2.170 20 30 BEEDLO CCN(Cc1cn2cccc(C)c2[nH+]1)[C@H](C)C#N ZINC000595812956 348352399 /nfs/dbraw/zinc/35/23/99/348352399.db2.gz PPOUWSRXKIHWDY-GFCCVEGCSA-N 1 2 242.326 2.377 20 30 BEEDLO CCN(Cc1cn2cccc(C)c2[nH+]1)[C@@H](C)C#N ZINC000595812957 348352414 /nfs/dbraw/zinc/35/24/14/348352414.db2.gz PPOUWSRXKIHWDY-LBPRGKRZSA-N 1 2 242.326 2.377 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000595835251 348369203 /nfs/dbraw/zinc/36/92/03/348369203.db2.gz PUYBNWSDVFMQFS-CQSZACIVSA-N 1 2 248.301 2.440 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000595835251 348369206 /nfs/dbraw/zinc/36/92/06/348369206.db2.gz PUYBNWSDVFMQFS-CQSZACIVSA-N 1 2 248.301 2.440 20 30 BEEDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595841744 348376784 /nfs/dbraw/zinc/37/67/84/348376784.db2.gz NTBDYTNYVVFGRR-YPMHNXCESA-N 1 2 230.315 2.082 20 30 BEEDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595841744 348376789 /nfs/dbraw/zinc/37/67/89/348376789.db2.gz NTBDYTNYVVFGRR-YPMHNXCESA-N 1 2 230.315 2.082 20 30 BEEDLO Cc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000595842720 348378887 /nfs/dbraw/zinc/37/88/87/348378887.db2.gz ZCZQUTWSQGTKIW-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000595842720 348378891 /nfs/dbraw/zinc/37/88/91/348378891.db2.gz ZCZQUTWSQGTKIW-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1nsc(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842893 348379140 /nfs/dbraw/zinc/37/91/40/348379140.db2.gz WCOZWBOPXWWZRH-LBPRGKRZSA-N 1 2 235.356 2.496 20 30 BEEDLO Cc1nsc(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842893 348379142 /nfs/dbraw/zinc/37/91/42/348379142.db2.gz WCOZWBOPXWWZRH-LBPRGKRZSA-N 1 2 235.356 2.496 20 30 BEEDLO CC[N@H+](CCC1(OC)CCC1)[C@H](C)C#N ZINC000595820125 348361167 /nfs/dbraw/zinc/36/11/67/348361167.db2.gz JYOZWNQBCAKLOB-LLVKDONJSA-N 1 2 210.321 2.180 20 30 BEEDLO CC[N@@H+](CCC1(OC)CCC1)[C@H](C)C#N ZINC000595820125 348361168 /nfs/dbraw/zinc/36/11/68/348361168.db2.gz JYOZWNQBCAKLOB-LLVKDONJSA-N 1 2 210.321 2.180 20 30 BEEDLO CC[N@H+](CCCC1CCOCC1)[C@H](C)C#N ZINC000595820659 348362234 /nfs/dbraw/zinc/36/22/34/348362234.db2.gz OQFVZMADPSBSDH-GFCCVEGCSA-N 1 2 224.348 2.427 20 30 BEEDLO CC[N@@H+](CCCC1CCOCC1)[C@H](C)C#N ZINC000595820659 348362236 /nfs/dbraw/zinc/36/22/36/348362236.db2.gz OQFVZMADPSBSDH-GFCCVEGCSA-N 1 2 224.348 2.427 20 30 BEEDLO CC[N@H+](C[C@H](O)CC1CCCC1)[C@H](C)C#N ZINC000595820678 348362386 /nfs/dbraw/zinc/36/23/86/348362386.db2.gz OXGVXOOAFUKZCC-DGCLKSJQSA-N 1 2 224.348 2.162 20 30 BEEDLO CC[N@@H+](C[C@H](O)CC1CCCC1)[C@H](C)C#N ZINC000595820678 348362389 /nfs/dbraw/zinc/36/23/89/348362389.db2.gz OXGVXOOAFUKZCC-DGCLKSJQSA-N 1 2 224.348 2.162 20 30 BEEDLO C[N@H+](CC1=CCSC1)Cc1ccncc1C#N ZINC000595889207 348390054 /nfs/dbraw/zinc/39/00/54/348390054.db2.gz RTACAZWFJFXHCE-UHFFFAOYSA-N 1 2 245.351 2.058 20 30 BEEDLO C[N@@H+](CC1=CCSC1)Cc1ccncc1C#N ZINC000595889207 348390056 /nfs/dbraw/zinc/39/00/56/348390056.db2.gz RTACAZWFJFXHCE-UHFFFAOYSA-N 1 2 245.351 2.058 20 30 BEEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595916200 348400468 /nfs/dbraw/zinc/40/04/68/348400468.db2.gz KNCQORNEXQJLRH-LBPRGKRZSA-N 1 2 246.301 2.282 20 30 BEEDLO CC(C)(C#N)CC[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595916200 348400469 /nfs/dbraw/zinc/40/04/69/348400469.db2.gz KNCQORNEXQJLRH-LBPRGKRZSA-N 1 2 246.301 2.282 20 30 BEEDLO C=CC(C)(C)CNc1cc(CC(=O)OC)cc[nH+]1 ZINC000596255494 348475925 /nfs/dbraw/zinc/47/59/25/348475925.db2.gz RXRFVVHIGQHCCA-UHFFFAOYSA-N 1 2 248.326 2.421 20 30 BEEDLO C[C@H](CC#N)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000597010859 348650007 /nfs/dbraw/zinc/65/00/07/348650007.db2.gz XTTYKCJOVDTMDL-GHMZBOCLSA-N 1 2 246.314 2.013 20 30 BEEDLO COc1ccc(C[NH+]2CC(CC#N)C2)c(OC)c1 ZINC000597192842 348670983 /nfs/dbraw/zinc/67/09/83/348670983.db2.gz OMSVLXNZFOKZDC-UHFFFAOYSA-N 1 2 246.310 2.049 20 30 BEEDLO COc1cccc(C[NH+]2CC(CC#N)C2)c1OC ZINC000597194077 348671610 /nfs/dbraw/zinc/67/16/10/348671610.db2.gz UBLAFUMCQYUNTG-UHFFFAOYSA-N 1 2 246.310 2.049 20 30 BEEDLO N#CCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC000597193571 348671648 /nfs/dbraw/zinc/67/16/48/348671648.db2.gz GONPCYYVTQBIPJ-UHFFFAOYSA-N 1 2 222.238 2.310 20 30 BEEDLO Cn1ncc(C2CCC2)c1C[NH2+]CC1(C#N)CC1 ZINC000597122447 348663777 /nfs/dbraw/zinc/66/37/77/348663777.db2.gz YOTMJQLHXSTLDT-UHFFFAOYSA-N 1 2 244.342 2.081 20 30 BEEDLO N#CC1(CNCc2c[nH+]c3n2CCC3)CCCC1 ZINC000597158008 348665948 /nfs/dbraw/zinc/66/59/48/348665948.db2.gz LCJUMLKUICJPEJ-UHFFFAOYSA-N 1 2 244.342 2.003 20 30 BEEDLO Cc1nn(C(C)C)cc1C[NH+]1CC(CC#N)C1 ZINC000597203600 348677582 /nfs/dbraw/zinc/67/75/82/348677582.db2.gz MEAVYYSIEACKPL-UHFFFAOYSA-N 1 2 232.331 2.118 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000597228183 348696953 /nfs/dbraw/zinc/69/69/53/348696953.db2.gz AVECLWSAMXMWOV-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000597228183 348696955 /nfs/dbraw/zinc/69/69/55/348696955.db2.gz AVECLWSAMXMWOV-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000597228183 348696956 /nfs/dbraw/zinc/69/69/56/348696956.db2.gz AVECLWSAMXMWOV-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000597228183 348696957 /nfs/dbraw/zinc/69/69/57/348696957.db2.gz AVECLWSAMXMWOV-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO CC(C)[N@H+](CC(F)F)C[C@@H](O)CC(C)(C)C#N ZINC000598591704 348997502 /nfs/dbraw/zinc/99/75/02/348997502.db2.gz AEFAVUOPIAGAAA-JTQLQIEISA-N 1 2 248.317 2.263 20 30 BEEDLO CC(C)[N@@H+](CC(F)F)C[C@@H](O)CC(C)(C)C#N ZINC000598591704 348997504 /nfs/dbraw/zinc/99/75/04/348997504.db2.gz AEFAVUOPIAGAAA-JTQLQIEISA-N 1 2 248.317 2.263 20 30 BEEDLO Cc1cc(N2CC(CC3CC3)C2)c(C#N)c[nH+]1 ZINC000598644493 349008732 /nfs/dbraw/zinc/00/87/32/349008732.db2.gz MYWDXJANXQDMHH-UHFFFAOYSA-N 1 2 227.311 2.498 20 30 BEEDLO CCOc1cncc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000598677963 349021076 /nfs/dbraw/zinc/02/10/76/349021076.db2.gz DBMQJRZRJKAIBB-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO CCOc1cncc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000598677963 349021078 /nfs/dbraw/zinc/02/10/78/349021078.db2.gz DBMQJRZRJKAIBB-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@](C)(C#N)CC ZINC000598739037 349035922 /nfs/dbraw/zinc/03/59/22/349035922.db2.gz UTFCVPOPTZQEHF-GXFFZTMASA-N 1 2 248.330 2.020 20 30 BEEDLO CCC(F)(F)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000599069379 349087227 /nfs/dbraw/zinc/08/72/27/349087227.db2.gz YDIYKKCIZXEOGN-BDAKNGLRSA-N 1 2 202.248 2.314 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](CCF)C2)c1 ZINC000599644237 349239359 /nfs/dbraw/zinc/23/93/59/349239359.db2.gz PYBVEMSYUYOJGR-AWEZNQCLSA-N 1 2 248.301 2.119 20 30 BEEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](CCF)C2)c1 ZINC000599644237 349239361 /nfs/dbraw/zinc/23/93/61/349239361.db2.gz PYBVEMSYUYOJGR-AWEZNQCLSA-N 1 2 248.301 2.119 20 30 BEEDLO C=C[C@H]([NH2+]CCC(C)(C)CC)C(=O)OC ZINC000601937270 349391201 /nfs/dbraw/zinc/39/12/01/349391201.db2.gz WIIARXDVAKLASI-JTQLQIEISA-N 1 2 213.321 2.130 20 30 BEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(F)c1F ZINC000601941013 349392671 /nfs/dbraw/zinc/39/26/71/349392671.db2.gz NDKUFXUSPBRQEN-SNVBAGLBSA-N 1 2 249.264 2.498 20 30 BEEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)CCO1 ZINC000219507796 350129263 /nfs/dbraw/zinc/12/92/63/350129263.db2.gz YDQBVWPKRLJTTE-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)CCO1 ZINC000219507796 350129268 /nfs/dbraw/zinc/12/92/68/350129268.db2.gz YDQBVWPKRLJTTE-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO C=CCCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365403241 350267566 /nfs/dbraw/zinc/26/75/66/350267566.db2.gz MGMRMZYUPGIPPW-UHFFFAOYSA-N 1 2 247.342 2.144 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C)ccn1 ZINC000328160944 350376639 /nfs/dbraw/zinc/37/66/39/350376639.db2.gz IAXCPNALRRRWLD-NSHDSACASA-N 1 2 203.289 2.172 20 30 BEEDLO CC[N@@H+](Cc1cnc(C)s1)C[C@@H](C)C#N ZINC000336653020 350420778 /nfs/dbraw/zinc/42/07/78/350420778.db2.gz XNBYZKDDJKWOSX-VIFPVBQESA-N 1 2 223.345 2.433 20 30 BEEDLO CC[N@H+](Cc1cnc(C)s1)C[C@@H](C)C#N ZINC000336653020 350420779 /nfs/dbraw/zinc/42/07/79/350420779.db2.gz XNBYZKDDJKWOSX-VIFPVBQESA-N 1 2 223.345 2.433 20 30 BEEDLO CCn1cc[nH+]c1CN(C[C@H](C)C#N)C1CC1 ZINC000336715393 350468041 /nfs/dbraw/zinc/46/80/41/350468041.db2.gz UUSYFMPGYKJTNS-LLVKDONJSA-N 1 2 232.331 2.027 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1cnc2ccccc2n1 ZINC000122332603 362980050 /nfs/dbraw/zinc/98/00/50/362980050.db2.gz UKOTWGHHYHZCAP-UHFFFAOYSA-N 1 2 240.310 2.269 20 30 BEEDLO CC#CC[N@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000339750447 350817916 /nfs/dbraw/zinc/81/79/16/350817916.db2.gz COBWRHURNFPFAT-UHFFFAOYSA-N 1 2 241.294 2.192 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000339750447 350817923 /nfs/dbraw/zinc/81/79/23/350817923.db2.gz COBWRHURNFPFAT-UHFFFAOYSA-N 1 2 241.294 2.192 20 30 BEEDLO C=CC(C)(C)CCNC(=O)CCCn1cc[nH+]c1 ZINC000628316137 351046450 /nfs/dbraw/zinc/04/64/50/351046450.db2.gz JWJKEOGXDOBFIP-UHFFFAOYSA-N 1 2 249.358 2.382 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000283810698 351077581 /nfs/dbraw/zinc/07/75/81/351077581.db2.gz CWGMKAWNLQAQOB-UHFFFAOYSA-N 1 2 235.718 2.485 20 30 BEEDLO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(C#N)CC1 ZINC000057908200 191132516 /nfs/dbraw/zinc/13/25/16/191132516.db2.gz UBLITSDLFGCCFW-VIFPVBQESA-N 1 2 246.314 2.244 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000271109014 351401044 /nfs/dbraw/zinc/40/10/44/351401044.db2.gz ABANGZJVOBWHMG-NSHDSACASA-N 1 2 249.333 2.483 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000271109014 351401049 /nfs/dbraw/zinc/40/10/49/351401049.db2.gz ABANGZJVOBWHMG-NSHDSACASA-N 1 2 249.333 2.483 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc(F)ccc1O ZINC000272270678 351466529 /nfs/dbraw/zinc/46/65/29/351466529.db2.gz LGWRVHVBLLYIIL-UHFFFAOYSA-N 1 2 222.263 2.267 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc(F)ccc1O ZINC000272270678 351466532 /nfs/dbraw/zinc/46/65/32/351466532.db2.gz LGWRVHVBLLYIIL-UHFFFAOYSA-N 1 2 222.263 2.267 20 30 BEEDLO N#CCCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000273385160 351526450 /nfs/dbraw/zinc/52/64/50/351526450.db2.gz UDKJVDNMGGQMSL-UHFFFAOYSA-N 1 2 231.303 2.014 20 30 BEEDLO N#CCCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000273385160 351526456 /nfs/dbraw/zinc/52/64/56/351526456.db2.gz UDKJVDNMGGQMSL-UHFFFAOYSA-N 1 2 231.303 2.014 20 30 BEEDLO C[C@H](CCC#N)[N@H+](C)Cc1nccs1 ZINC000276361065 351618468 /nfs/dbraw/zinc/61/84/68/351618468.db2.gz YOYBJVPQDGLIRU-SECBINFHSA-N 1 2 209.318 2.267 20 30 BEEDLO C[C@H](CCC#N)[N@@H+](C)Cc1nccs1 ZINC000276361065 351618470 /nfs/dbraw/zinc/61/84/70/351618470.db2.gz YOYBJVPQDGLIRU-SECBINFHSA-N 1 2 209.318 2.267 20 30 BEEDLO CC1(C#N)C[NH+](CCCCC2CCOCC2)C1 ZINC000577699882 366038096 /nfs/dbraw/zinc/03/80/96/366038096.db2.gz WWTDSQZJKYNYEF-UHFFFAOYSA-N 1 2 236.359 2.429 20 30 BEEDLO C[C@@H]1COCC[C@H]1/[NH+]=C/c1ccccc1O ZINC000277281189 351695602 /nfs/dbraw/zinc/69/56/02/351695602.db2.gz IVQVCXLWCLOCDJ-HVBAWBJTSA-N 1 2 219.284 2.236 20 30 BEEDLO COc1cccc(/C=[NH+]/[C@H](C)[C@@H]2CCOC2)c1O ZINC000280987116 351869636 /nfs/dbraw/zinc/86/96/36/351869636.db2.gz KMZLNRSXVIROGW-GSYIJNDDSA-N 1 2 249.310 2.245 20 30 BEEDLO C=C1CC[NH+](Cc2cnc(OC)s2)CC1 ZINC000638031418 351913136 /nfs/dbraw/zinc/91/31/36/351913136.db2.gz HFVNZHJTRFEXNL-UHFFFAOYSA-N 1 2 224.329 2.304 20 30 BEEDLO Cc1cccc(C)c1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283863922 351985536 /nfs/dbraw/zinc/98/55/36/351985536.db2.gz CHVMYVPLTIZAIQ-ZDUSSCGKSA-N 1 2 248.326 2.271 20 30 BEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000339761187 191147800 /nfs/dbraw/zinc/14/78/00/191147800.db2.gz NYTUHGDYXLNTHL-ZDUSSCGKSA-N 1 2 244.338 2.277 20 30 BEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000339761187 191147802 /nfs/dbraw/zinc/14/78/02/191147802.db2.gz NYTUHGDYXLNTHL-ZDUSSCGKSA-N 1 2 244.338 2.277 20 30 BEEDLO C[C@H]1COCC[C@@H]1C/[NH+]=C/c1ccccc1O ZINC000285269671 352032794 /nfs/dbraw/zinc/03/27/94/352032794.db2.gz HVMSJSDNVWIITP-FIZWVAMCSA-N 1 2 233.311 2.484 20 30 BEEDLO C[C@H]1COCC[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000285380460 352040230 /nfs/dbraw/zinc/04/02/30/352040230.db2.gz OPWXBCKVBIZRJO-AVVOLDSFSA-N 1 2 249.310 2.189 20 30 BEEDLO CC[C@](C)(C#N)C(=O)OCc1c[nH+]ccc1OC ZINC000286897156 352106523 /nfs/dbraw/zinc/10/65/23/352106523.db2.gz LCMHXGROAYUURM-CYBMUJFWSA-N 1 2 248.282 2.073 20 30 BEEDLO COc1ccc(C(N)=[NH+]OCC=C(C)C)cc1 ZINC000288646578 352160084 /nfs/dbraw/zinc/16/00/84/352160084.db2.gz QPASTAUHUIKLAL-UHFFFAOYSA-N 1 2 234.299 2.298 20 30 BEEDLO COc1cncc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000290387931 352222518 /nfs/dbraw/zinc/22/25/18/352222518.db2.gz SCIIOEOHPRPXKP-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1cncc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000290387931 352222523 /nfs/dbraw/zinc/22/25/23/352222523.db2.gz SCIIOEOHPRPXKP-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO C=C[C@H]([NH2+]CCC1CCCCC1)C(=O)OC ZINC000300943274 363177179 /nfs/dbraw/zinc/17/71/79/363177179.db2.gz DVWMAMZXQKFYFG-LBPRGKRZSA-N 1 2 225.332 2.274 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCOC(C)(C)C ZINC000292109087 352303147 /nfs/dbraw/zinc/30/31/47/352303147.db2.gz GZVZZTCKFHSEKR-UHFFFAOYSA-N 1 2 210.321 2.203 20 30 BEEDLO C=CC[N@H+](CCC#N)CCOC(C)(C)C ZINC000292109087 352303150 /nfs/dbraw/zinc/30/31/50/352303150.db2.gz GZVZZTCKFHSEKR-UHFFFAOYSA-N 1 2 210.321 2.203 20 30 BEEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000411328803 191176996 /nfs/dbraw/zinc/17/69/96/191176996.db2.gz JNYWJPOFKPHGOI-WCQYABFASA-N 1 2 234.299 2.345 20 30 BEEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000411328803 191176998 /nfs/dbraw/zinc/17/69/98/191176998.db2.gz JNYWJPOFKPHGOI-WCQYABFASA-N 1 2 234.299 2.345 20 30 BEEDLO C=CCOCC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411957576 191234649 /nfs/dbraw/zinc/23/46/49/191234649.db2.gz QWOWFXORTQGBCJ-UHFFFAOYSA-N 1 2 245.322 2.407 20 30 BEEDLO C=CCOCC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411957576 191234651 /nfs/dbraw/zinc/23/46/51/191234651.db2.gz QWOWFXORTQGBCJ-UHFFFAOYSA-N 1 2 245.322 2.407 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccn(C(F)F)n1 ZINC000336745645 352733798 /nfs/dbraw/zinc/73/37/98/352733798.db2.gz VSVIWHWAHNSERH-MRVPVSSYSA-N 1 2 228.246 2.060 20 30 BEEDLO C=C1CC[NH+](Cc2nccn2CC)CC1 ZINC000334181364 352768985 /nfs/dbraw/zinc/76/89/85/352768985.db2.gz ANQJOGAUMJCWKN-UHFFFAOYSA-N 1 2 205.305 2.055 20 30 BEEDLO C=CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066847954 166358588 /nfs/dbraw/zinc/35/85/88/166358588.db2.gz FGGVMWAYZLXZKE-ZDUSSCGKSA-N 1 2 221.275 2.385 20 30 BEEDLO C=CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066847954 166358592 /nfs/dbraw/zinc/35/85/92/166358592.db2.gz FGGVMWAYZLXZKE-ZDUSSCGKSA-N 1 2 221.275 2.385 20 30 BEEDLO N#CC1(C[N@@H+]2CCc3cccc(F)c3C2)CC1 ZINC000334323030 352960149 /nfs/dbraw/zinc/96/01/49/352960149.db2.gz YUWNMPJNOVVPLF-UHFFFAOYSA-N 1 2 230.286 2.488 20 30 BEEDLO N#CC1(C[N@H+]2CCc3cccc(F)c3C2)CC1 ZINC000334323030 352960152 /nfs/dbraw/zinc/96/01/52/352960152.db2.gz YUWNMPJNOVVPLF-UHFFFAOYSA-N 1 2 230.286 2.488 20 30 BEEDLO C=C(C)C[NH2+]C(CC)(CC)C(=O)OCC ZINC000336754972 353146071 /nfs/dbraw/zinc/14/60/71/353146071.db2.gz HVRAHZVHOMJGLY-UHFFFAOYSA-N 1 2 213.321 2.274 20 30 BEEDLO Cc1cnc([C@H](C)[NH2+]CC2(C#N)CC2)s1 ZINC000336761209 353174451 /nfs/dbraw/zinc/17/44/51/353174451.db2.gz NCERLTJTPRSZCM-VIFPVBQESA-N 1 2 221.329 2.406 20 30 BEEDLO CCc1onc(C)c1C(=O)NCc1[nH]c[nH+]c1C ZINC000331036142 353212689 /nfs/dbraw/zinc/21/26/89/353212689.db2.gz BBALRVFVEMXRFN-UHFFFAOYSA-N 1 2 248.286 2.082 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000126902338 353254622 /nfs/dbraw/zinc/25/46/22/353254622.db2.gz QWZGZZDJROAQQR-OLZOCXBDSA-N 1 2 247.313 2.286 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000126902338 353254626 /nfs/dbraw/zinc/25/46/26/353254626.db2.gz QWZGZZDJROAQQR-OLZOCXBDSA-N 1 2 247.313 2.286 20 30 BEEDLO C=C(C)CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160592372 353266770 /nfs/dbraw/zinc/26/67/70/353266770.db2.gz HTSCVJCXDNLKMW-UHFFFAOYSA-N 1 2 235.335 2.049 20 30 BEEDLO C=C(C)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160592372 353266772 /nfs/dbraw/zinc/26/67/72/353266772.db2.gz HTSCVJCXDNLKMW-UHFFFAOYSA-N 1 2 235.335 2.049 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1noc(C2CC2)n1 ZINC000054316326 353333305 /nfs/dbraw/zinc/33/33/05/353333305.db2.gz ODLVATYXZHDANM-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1noc(C2CC2)n1 ZINC000054316326 353333308 /nfs/dbraw/zinc/33/33/08/353333308.db2.gz ODLVATYXZHDANM-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO C=CCCC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000076734230 353340550 /nfs/dbraw/zinc/34/05/50/353340550.db2.gz VAQYKTZSOPKCEO-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO C=CCCC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000076734230 353340553 /nfs/dbraw/zinc/34/05/53/353340553.db2.gz VAQYKTZSOPKCEO-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO C=CCCC[N@@H+](C)Cc1noc(CCC)n1 ZINC000076738339 353341189 /nfs/dbraw/zinc/34/11/89/353341189.db2.gz HHUAEONFUVHRAN-UHFFFAOYSA-N 1 2 223.320 2.420 20 30 BEEDLO C=CCCC[N@H+](C)Cc1noc(CCC)n1 ZINC000076738339 353341192 /nfs/dbraw/zinc/34/11/92/353341192.db2.gz HHUAEONFUVHRAN-UHFFFAOYSA-N 1 2 223.320 2.420 20 30 BEEDLO N#Cc1ccc(SCCCn2cc[nH+]c2)nc1 ZINC000273460130 188376754 /nfs/dbraw/zinc/37/67/54/188376754.db2.gz MVVBHMTWHSTETJ-UHFFFAOYSA-N 1 2 244.323 2.332 20 30 BEEDLO C#CCN(Cc1[nH+]ccn1C)Cc1ccccc1 ZINC000285497498 353544333 /nfs/dbraw/zinc/54/43/33/353544333.db2.gz CQKRUNFFXYBSHM-UHFFFAOYSA-N 1 2 239.322 2.056 20 30 BEEDLO C#CCC(C)(C)C(=O)OCc1c[nH+]ccc1OC ZINC000287335239 353575496 /nfs/dbraw/zinc/57/54/96/353575496.db2.gz YIPOMNSPGBOAJD-UHFFFAOYSA-N 1 2 247.294 2.183 20 30 BEEDLO C=CCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287591277 353579929 /nfs/dbraw/zinc/57/99/29/353579929.db2.gz RNCUWYKJHWTCMH-UHFFFAOYSA-N 1 2 205.261 2.006 20 30 BEEDLO C#CCCCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000289167462 353619936 /nfs/dbraw/zinc/61/99/36/353619936.db2.gz QPXLSALKDJRNJI-UHFFFAOYSA-N 1 2 241.294 2.320 20 30 BEEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1cnccn1 ZINC000184491355 353671214 /nfs/dbraw/zinc/67/12/14/353671214.db2.gz VOQXHDGHKCAPHO-QWRGUYRKSA-N 1 2 218.304 2.019 20 30 BEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1cnccn1 ZINC000184491355 353671216 /nfs/dbraw/zinc/67/12/16/353671216.db2.gz VOQXHDGHKCAPHO-QWRGUYRKSA-N 1 2 218.304 2.019 20 30 BEEDLO C=CC[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000064543386 353674024 /nfs/dbraw/zinc/67/40/24/353674024.db2.gz PPHNOUNVIRPFEA-JTQLQIEISA-N 1 2 207.277 2.091 20 30 BEEDLO C=CC[N@@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000064543386 353674026 /nfs/dbraw/zinc/67/40/26/353674026.db2.gz PPHNOUNVIRPFEA-JTQLQIEISA-N 1 2 207.277 2.091 20 30 BEEDLO C#CCCOc1ccc(C[NH2+]CC(F)F)cc1 ZINC000291380696 353691672 /nfs/dbraw/zinc/69/16/72/353691672.db2.gz AZYYAYGFMJAHNE-UHFFFAOYSA-N 1 2 239.265 2.443 20 30 BEEDLO C=C(C)CN(CC)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366822660 353777644 /nfs/dbraw/zinc/77/76/44/353777644.db2.gz JEYVFUHBYIQDJY-LLVKDONJSA-N 1 2 247.342 2.254 20 30 BEEDLO C=C(Br)C[N@H+]1C[C@H](C)[C@H]1C ZINC000293375786 353746936 /nfs/dbraw/zinc/74/69/36/353746936.db2.gz JMZHSGURQOWMIP-POYBYMJQSA-N 1 2 204.111 2.235 20 30 BEEDLO C=C(Br)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000293375786 353746939 /nfs/dbraw/zinc/74/69/39/353746939.db2.gz JMZHSGURQOWMIP-POYBYMJQSA-N 1 2 204.111 2.235 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](C)c1nccn1CC ZINC000296753751 353832582 /nfs/dbraw/zinc/83/25/82/353832582.db2.gz JWMCHUYJAOTTJR-VIFPVBQESA-N 1 2 213.712 2.306 20 30 BEEDLO N#CC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000157168567 181032826 /nfs/dbraw/zinc/03/28/26/181032826.db2.gz DHMWDVUSAZMZMY-UHFFFAOYSA-N 1 2 242.297 2.413 20 30 BEEDLO C[N@H+](CCC#N)Cc1ccc(CC#N)cc1 ZINC000343608429 353932092 /nfs/dbraw/zinc/93/20/92/353932092.db2.gz LEBIUDDEUMRNFA-UHFFFAOYSA-N 1 2 213.284 2.098 20 30 BEEDLO C[N@@H+](CCC#N)Cc1ccc(CC#N)cc1 ZINC000343608429 353932093 /nfs/dbraw/zinc/93/20/93/353932093.db2.gz LEBIUDDEUMRNFA-UHFFFAOYSA-N 1 2 213.284 2.098 20 30 BEEDLO C=CCC(CC=C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000343644784 353952131 /nfs/dbraw/zinc/95/21/31/353952131.db2.gz WVBYMTYGEDLQII-UHFFFAOYSA-N 1 2 233.315 2.137 20 30 BEEDLO C[C@H](c1ccncc1)[N@H+](C)CC1(C#N)CC1 ZINC000343658645 353955953 /nfs/dbraw/zinc/95/59/53/353955953.db2.gz JRLSAPSRKUJGFH-LLVKDONJSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1ccncc1)[N@@H+](C)CC1(C#N)CC1 ZINC000343658645 353955954 /nfs/dbraw/zinc/95/59/54/353955954.db2.gz JRLSAPSRKUJGFH-LLVKDONJSA-N 1 2 215.300 2.378 20 30 BEEDLO N#C[C@@H]1CC[C@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000307320156 181061052 /nfs/dbraw/zinc/06/10/52/181061052.db2.gz URVXPZNDURPDNI-SFYZADRCSA-N 1 2 200.232 2.066 20 30 BEEDLO N#Cc1c(F)cccc1Nc1ccc(N)[nH+]c1 ZINC000036157298 181076901 /nfs/dbraw/zinc/07/69/01/181076901.db2.gz KYNZSXCTMSWURR-UHFFFAOYSA-N 1 2 228.230 2.418 20 30 BEEDLO N#Cc1cc(C[NH+]2CCSCC2)ccc1F ZINC000160873023 181086302 /nfs/dbraw/zinc/08/63/02/181086302.db2.gz PKSQKHWSRFEZKM-UHFFFAOYSA-N 1 2 236.315 2.246 20 30 BEEDLO N#Cc1cc(F)ccc1NCCCn1cc[nH+]c1 ZINC000111613660 181088672 /nfs/dbraw/zinc/08/86/72/181088672.db2.gz MXJLEWJCGZYPIP-UHFFFAOYSA-N 1 2 244.273 2.396 20 30 BEEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(C#N)CC1 ZINC000159018728 181113950 /nfs/dbraw/zinc/11/39/50/181113950.db2.gz PQWNZHJTJIIDDJ-UHFFFAOYSA-N 1 2 243.285 2.433 20 30 BEEDLO N#Cc1ccc(NCc2cn3ccccc3[nH+]2)cn1 ZINC000337667153 181124451 /nfs/dbraw/zinc/12/44/51/181124451.db2.gz QQQGCCFCCAXRGX-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO N#Cc1cccc(C2([NH2+]Cc3cocn3)CC2)c1 ZINC000276989274 181136455 /nfs/dbraw/zinc/13/64/55/181136455.db2.gz HXKCFIVUBWGBKR-UHFFFAOYSA-N 1 2 239.278 2.325 20 30 BEEDLO N#Cc1cccc(C2([NH2+]Cc3cc[nH]n3)CC2)c1 ZINC000269620799 181136643 /nfs/dbraw/zinc/13/66/43/181136643.db2.gz PWAUJYDVYHRJLO-UHFFFAOYSA-N 1 2 238.294 2.060 20 30 BEEDLO CC[C@]1(C)COCC[N@@H+]1CC1(C#N)CCC1 ZINC000334798012 354552619 /nfs/dbraw/zinc/55/26/19/354552619.db2.gz OXWZALHWSILZKJ-GFCCVEGCSA-N 1 2 222.332 2.181 20 30 BEEDLO CC[C@]1(C)COCC[N@H+]1CC1(C#N)CCC1 ZINC000334798012 354552621 /nfs/dbraw/zinc/55/26/21/354552621.db2.gz OXWZALHWSILZKJ-GFCCVEGCSA-N 1 2 222.332 2.181 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000042292967 181145938 /nfs/dbraw/zinc/14/59/38/181145938.db2.gz NVHAGPJIFNQDST-GJZGRUSLSA-N 1 2 242.322 2.312 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000042292967 181145940 /nfs/dbraw/zinc/14/59/40/181145940.db2.gz NVHAGPJIFNQDST-GJZGRUSLSA-N 1 2 242.322 2.312 20 30 BEEDLO C[N@H+](CCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000345722646 354743846 /nfs/dbraw/zinc/74/38/46/354743846.db2.gz AIUHNUFVPDXOBJ-UHFFFAOYSA-N 1 2 240.347 2.200 20 30 BEEDLO C[N@@H+](CCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000345722646 354743849 /nfs/dbraw/zinc/74/38/49/354743849.db2.gz AIUHNUFVPDXOBJ-UHFFFAOYSA-N 1 2 240.347 2.200 20 30 BEEDLO C=C[C@@](C)(CC)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346930113 355180108 /nfs/dbraw/zinc/18/01/08/355180108.db2.gz GBDJGZKVTLAECH-ZDUSSCGKSA-N 1 2 246.314 2.248 20 30 BEEDLO C=CC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413141621 191358733 /nfs/dbraw/zinc/35/87/33/191358733.db2.gz KJNUZNZCRPUWHS-UHFFFAOYSA-N 1 2 244.342 2.453 20 30 BEEDLO C=CC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413141621 191358736 /nfs/dbraw/zinc/35/87/36/191358736.db2.gz KJNUZNZCRPUWHS-UHFFFAOYSA-N 1 2 244.342 2.453 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(F)cc(F)c1 ZINC000093461340 355367560 /nfs/dbraw/zinc/36/75/60/355367560.db2.gz RZCJDCNKHPSGOL-UHFFFAOYSA-N 1 2 219.234 2.033 20 30 BEEDLO C=CC[NH+](CC=C)Cc1conc1CC ZINC000350146220 355615311 /nfs/dbraw/zinc/61/53/11/355615311.db2.gz KDBBZARQDQCJDU-UHFFFAOYSA-N 1 2 206.289 2.411 20 30 BEEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000350393196 355695483 /nfs/dbraw/zinc/69/54/83/355695483.db2.gz PKVGQZNOOCPILD-PSASIEDQSA-N 1 2 240.257 2.060 20 30 BEEDLO COc1c(O)cccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000350467222 355709201 /nfs/dbraw/zinc/70/92/01/355709201.db2.gz ZWPKAQSGUVPWAR-JQWIXIFHSA-N 1 2 246.310 2.183 20 30 BEEDLO COc1c(O)cccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000350467223 355709215 /nfs/dbraw/zinc/70/92/15/355709215.db2.gz ZWPKAQSGUVPWAR-PWSUYJOCSA-N 1 2 246.310 2.183 20 30 BEEDLO CCc1cnc(C[NH2+]CC2(C#N)CC2)s1 ZINC000309066927 355990122 /nfs/dbraw/zinc/99/01/22/355990122.db2.gz ZYABXBIEFRTDNY-UHFFFAOYSA-N 1 2 221.329 2.099 20 30 BEEDLO O=C(NCCc1[nH]cc[nH+]1)[C@H]1CC12CCCC2 ZINC000329990840 356156351 /nfs/dbraw/zinc/15/63/51/356156351.db2.gz JJAAHKMHSXHDDM-SNVBAGLBSA-N 1 2 233.315 2.489 20 30 BEEDLO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000613481863 363459579 /nfs/dbraw/zinc/45/95/79/363459579.db2.gz LZBRRXIDTPFIRM-YPMHNXCESA-N 1 2 230.315 2.163 20 30 BEEDLO C[C@H](c1cnccn1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000613481863 363459583 /nfs/dbraw/zinc/45/95/83/363459583.db2.gz LZBRRXIDTPFIRM-YPMHNXCESA-N 1 2 230.315 2.163 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nc(CC2CC2)no1 ZINC000639444459 356222678 /nfs/dbraw/zinc/22/26/78/356222678.db2.gz MDSZZKHOIKBCOB-UHFFFAOYSA-N 1 2 235.331 2.420 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nc(CC2CC2)no1 ZINC000639444459 356222681 /nfs/dbraw/zinc/22/26/81/356222681.db2.gz MDSZZKHOIKBCOB-UHFFFAOYSA-N 1 2 235.331 2.420 20 30 BEEDLO C=CCCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000617618678 356189897 /nfs/dbraw/zinc/18/98/97/356189897.db2.gz ZRDHRWMXQIGVJF-UHFFFAOYSA-N 1 2 243.310 2.188 20 30 BEEDLO C=CC[N@@H+](CC(C)=O)Cc1cccc(C#N)c1 ZINC000639462006 356250539 /nfs/dbraw/zinc/25/05/39/356250539.db2.gz LFSNJOIIGMVYFK-UHFFFAOYSA-N 1 2 228.295 2.135 20 30 BEEDLO C=CC[N@H+](CC(C)=O)Cc1cccc(C#N)c1 ZINC000639462006 356250540 /nfs/dbraw/zinc/25/05/40/356250540.db2.gz LFSNJOIIGMVYFK-UHFFFAOYSA-N 1 2 228.295 2.135 20 30 BEEDLO C=C(C)C[N@@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623289032 356498289 /nfs/dbraw/zinc/49/82/89/356498289.db2.gz KOOTYDCLYVNFOL-NSHDSACASA-N 1 2 230.311 2.405 20 30 BEEDLO C=C(C)C[N@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623289032 356498292 /nfs/dbraw/zinc/49/82/92/356498292.db2.gz KOOTYDCLYVNFOL-NSHDSACASA-N 1 2 230.311 2.405 20 30 BEEDLO CC1(C)CCC[N@H+](CC[C@@H]2CCOC2)[C@@H]1C#N ZINC000336184708 134120952 /nfs/dbraw/zinc/12/09/52/134120952.db2.gz QWDJZMFJVXULNX-CHWSQXEVSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCC[N@@H+](CC[C@@H]2CCOC2)[C@@H]1C#N ZINC000336184708 134120953 /nfs/dbraw/zinc/12/09/53/134120953.db2.gz QWDJZMFJVXULNX-CHWSQXEVSA-N 1 2 236.359 2.427 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@]23CCOC3)c1F ZINC000421010895 192300440 /nfs/dbraw/zinc/30/04/40/192300440.db2.gz CTHKCXNSDQWVEL-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1cccc(C[N@H+]2CC[C@@]23CCOC3)c1F ZINC000421010895 192300442 /nfs/dbraw/zinc/30/04/42/192300442.db2.gz CTHKCXNSDQWVEL-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO CCN(Cc1cccc2[nH+]ccn21)C[C@H](C)C#N ZINC000179772684 366303753 /nfs/dbraw/zinc/30/37/53/366303753.db2.gz RBGXQVZYXCLIKV-GFCCVEGCSA-N 1 2 242.326 2.316 20 30 BEEDLO C=CCC1(C(=O)NCc2c[nH+]c[nH]2)CCCC1 ZINC000449906098 202052079 /nfs/dbraw/zinc/05/20/79/202052079.db2.gz HLZDZAYMWPZCIS-UHFFFAOYSA-N 1 2 233.315 2.162 20 30 BEEDLO C=CCC1(C(=O)NCc2c[nH]c[nH+]2)CCCC1 ZINC000449906098 202052082 /nfs/dbraw/zinc/05/20/82/202052082.db2.gz HLZDZAYMWPZCIS-UHFFFAOYSA-N 1 2 233.315 2.162 20 30 BEEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC#N ZINC000336422277 134146634 /nfs/dbraw/zinc/14/66/34/134146634.db2.gz GFWXJTFLNJAZIX-SFYZADRCSA-N 1 2 206.211 2.173 20 30 BEEDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCC#N ZINC000336422277 134146635 /nfs/dbraw/zinc/14/66/35/134146635.db2.gz GFWXJTFLNJAZIX-SFYZADRCSA-N 1 2 206.211 2.173 20 30 BEEDLO CC1(C)CCC[N@H+](C[C@H]2CCCOC2)[C@H]1C#N ZINC000336427638 134146853 /nfs/dbraw/zinc/14/68/53/134146853.db2.gz ZJZBLXAGKUEACG-OLZOCXBDSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCC[N@@H+](C[C@H]2CCCOC2)[C@H]1C#N ZINC000336427638 134146854 /nfs/dbraw/zinc/14/68/54/134146854.db2.gz ZJZBLXAGKUEACG-OLZOCXBDSA-N 1 2 236.359 2.427 20 30 BEEDLO Cc1cnc(C[NH+]2CCC(F)(C#N)CC2)s1 ZINC000352450312 134145441 /nfs/dbraw/zinc/14/54/41/134145441.db2.gz RBNHIZXZQOAHFG-UHFFFAOYSA-N 1 2 239.319 2.279 20 30 BEEDLO N#C[C@H]1[N@H+](CC2CC2)CCC[C@@]12CCCCO2 ZINC000336551076 134149657 /nfs/dbraw/zinc/14/96/57/134149657.db2.gz IGUUJQPHJUYLCG-KGLIPLIRSA-N 1 2 234.343 2.324 20 30 BEEDLO N#C[C@H]1[N@@H+](CC2CC2)CCC[C@@]12CCCCO2 ZINC000336551076 134149658 /nfs/dbraw/zinc/14/96/58/134149658.db2.gz IGUUJQPHJUYLCG-KGLIPLIRSA-N 1 2 234.343 2.324 20 30 BEEDLO N#CCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168251369 134161030 /nfs/dbraw/zinc/16/10/30/134161030.db2.gz DPQCRHHDLNBSBW-UHFFFAOYSA-N 1 2 212.655 2.482 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000179931908 366336588 /nfs/dbraw/zinc/33/65/88/366336588.db2.gz KIXVPBNMOZPOGH-LLVKDONJSA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000179931908 366336596 /nfs/dbraw/zinc/33/65/96/366336596.db2.gz KIXVPBNMOZPOGH-LLVKDONJSA-N 1 2 236.340 2.231 20 30 BEEDLO CCC[N@H+](CC#N)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450418358 202160084 /nfs/dbraw/zinc/16/00/84/202160084.db2.gz LPCJBUUMKBNJJV-HIFRSBDPSA-N 1 2 246.354 2.387 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450418358 202160087 /nfs/dbraw/zinc/16/00/87/202160087.db2.gz LPCJBUUMKBNJJV-HIFRSBDPSA-N 1 2 246.354 2.387 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1ccn(C)c1)C1CC1 ZINC000354035420 134165881 /nfs/dbraw/zinc/16/58/81/134165881.db2.gz YGQZKULCMQRSSG-NSHDSACASA-N 1 2 217.316 2.149 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccn(C)c1)C1CC1 ZINC000354035420 134165882 /nfs/dbraw/zinc/16/58/82/134165882.db2.gz YGQZKULCMQRSSG-NSHDSACASA-N 1 2 217.316 2.149 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc2c(s1)CCC2 ZINC000154767091 538661185 /nfs/dbraw/zinc/66/11/85/538661185.db2.gz ACWMAEGRLHIYPD-UHFFFAOYSA-N 1 2 208.330 2.250 20 30 BEEDLO C=CC[N@H+](C)Cc1nc2c(s1)CCC2 ZINC000154767091 538661191 /nfs/dbraw/zinc/66/11/91/538661191.db2.gz ACWMAEGRLHIYPD-UHFFFAOYSA-N 1 2 208.330 2.250 20 30 BEEDLO CC1(C#N)CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000356474955 134178279 /nfs/dbraw/zinc/17/82/79/134178279.db2.gz MAGKXHKHAWNLKP-LBPRGKRZSA-N 1 2 230.315 2.056 20 30 BEEDLO C=CCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000583703337 357283592 /nfs/dbraw/zinc/28/35/92/357283592.db2.gz UQUBELWHCARJFV-NSHDSACASA-N 1 2 235.331 2.061 20 30 BEEDLO C=CCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000583703337 357283593 /nfs/dbraw/zinc/28/35/93/357283593.db2.gz UQUBELWHCARJFV-NSHDSACASA-N 1 2 235.331 2.061 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2c(n1)CCC2 ZINC000582651597 357363896 /nfs/dbraw/zinc/36/38/96/357363896.db2.gz LPLBBUJLIJHBNW-LLVKDONJSA-N 1 2 229.327 2.304 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000582651597 357363899 /nfs/dbraw/zinc/36/38/99/357363899.db2.gz LPLBBUJLIJHBNW-LLVKDONJSA-N 1 2 229.327 2.304 20 30 BEEDLO C=CCC1(C(=O)N2CC(n3cc[nH+]c3)C2)CCC1 ZINC000582820284 357406452 /nfs/dbraw/zinc/40/64/52/357406452.db2.gz VOTLXVLYNJYGOU-UHFFFAOYSA-N 1 2 245.326 2.013 20 30 BEEDLO N#CCC[NH2+]Cc1c(F)cccc1OC(F)F ZINC000583138626 357499387 /nfs/dbraw/zinc/49/93/87/357499387.db2.gz BUPBJRLJSSUTPF-UHFFFAOYSA-N 1 2 244.216 2.430 20 30 BEEDLO C=CCN(CCOC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000189640392 357650829 /nfs/dbraw/zinc/65/08/29/357650829.db2.gz LUUHIEWUXQJXAD-UHFFFAOYSA-N 1 2 247.342 2.301 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1csc(CC)n1 ZINC000191758402 357794219 /nfs/dbraw/zinc/79/42/19/357794219.db2.gz YKQWASHMKLHFMP-UHFFFAOYSA-N 1 2 240.372 2.340 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1csc(CC)n1 ZINC000191758402 357794221 /nfs/dbraw/zinc/79/42/21/357794221.db2.gz YKQWASHMKLHFMP-UHFFFAOYSA-N 1 2 240.372 2.340 20 30 BEEDLO N#CCC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119466715 134226869 /nfs/dbraw/zinc/22/68/69/134226869.db2.gz WAWIMWKWRBTIMM-UHFFFAOYSA-N 1 2 222.332 2.325 20 30 BEEDLO N#CCC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119466715 134226870 /nfs/dbraw/zinc/22/68/70/134226870.db2.gz WAWIMWKWRBTIMM-UHFFFAOYSA-N 1 2 222.332 2.325 20 30 BEEDLO CC[N@H+](CCC#N)[C@H](C)c1ccncc1 ZINC000610432772 357929729 /nfs/dbraw/zinc/92/97/29/357929729.db2.gz WNZQDBLRPXUFMN-LLVKDONJSA-N 1 2 203.289 2.378 20 30 BEEDLO CC[N@@H+](CCC#N)[C@H](C)c1ccncc1 ZINC000610432772 357929731 /nfs/dbraw/zinc/92/97/31/357929731.db2.gz WNZQDBLRPXUFMN-LLVKDONJSA-N 1 2 203.289 2.378 20 30 BEEDLO N#CC[N@H+](CCOCC1CC1)C1CCCC1 ZINC000121800532 134235426 /nfs/dbraw/zinc/23/54/26/134235426.db2.gz QEJAZQABSFFDDN-UHFFFAOYSA-N 1 2 222.332 2.181 20 30 BEEDLO N#CC[N@@H+](CCOCC1CC1)C1CCCC1 ZINC000121800532 134235427 /nfs/dbraw/zinc/23/54/27/134235427.db2.gz QEJAZQABSFFDDN-UHFFFAOYSA-N 1 2 222.332 2.181 20 30 BEEDLO CCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)nc1 ZINC000610675399 358063248 /nfs/dbraw/zinc/06/32/48/358063248.db2.gz DNMCBUKSINKFOO-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO CCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)nc1 ZINC000610675399 358063252 /nfs/dbraw/zinc/06/32/52/358063252.db2.gz DNMCBUKSINKFOO-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccccn1 ZINC000450721523 202244187 /nfs/dbraw/zinc/24/41/87/202244187.db2.gz XFVISILSUQYAAJ-NSHDSACASA-N 1 2 215.300 2.426 20 30 BEEDLO C=C[C@H]([NH2+]CC(C)(C)C1CCC1)C(=O)OC ZINC000385478659 358420639 /nfs/dbraw/zinc/42/06/39/358420639.db2.gz NMRJWCXGVCTRFL-NSHDSACASA-N 1 2 225.332 2.130 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000135128710 358822222 /nfs/dbraw/zinc/82/22/22/358822222.db2.gz XTUAOAYSUQFACZ-AWEZNQCLSA-N 1 2 249.358 2.334 20 30 BEEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135627716 358846569 /nfs/dbraw/zinc/84/65/69/358846569.db2.gz GNNMDHBLKNLXJF-LLVKDONJSA-N 1 2 239.750 2.482 20 30 BEEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135627716 358846570 /nfs/dbraw/zinc/84/65/70/358846570.db2.gz GNNMDHBLKNLXJF-LLVKDONJSA-N 1 2 239.750 2.482 20 30 BEEDLO CC[C@H](Nc1ccc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000139797120 358913927 /nfs/dbraw/zinc/91/39/27/358913927.db2.gz OXVSBVUITIHWAQ-JTQLQIEISA-N 1 2 227.271 2.240 20 30 BEEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(F)cc1 ZINC000059416253 358919894 /nfs/dbraw/zinc/91/98/94/358919894.db2.gz IXOBWSMTIKLFMT-UHFFFAOYSA-N 1 2 248.301 2.438 20 30 BEEDLO C#CC[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000247702264 359242515 /nfs/dbraw/zinc/24/25/15/359242515.db2.gz YEGNYYIPECPPQE-DZGCQCFKSA-N 1 2 229.323 2.390 20 30 BEEDLO C#CC[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000247702264 359242518 /nfs/dbraw/zinc/24/25/18/359242518.db2.gz YEGNYYIPECPPQE-DZGCQCFKSA-N 1 2 229.323 2.390 20 30 BEEDLO C#CC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000247749391 359243800 /nfs/dbraw/zinc/24/38/00/359243800.db2.gz YSXDPMBKHSKBLY-NFAWXSAZSA-N 1 2 229.323 2.470 20 30 BEEDLO C#CC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000247749391 359243807 /nfs/dbraw/zinc/24/38/07/359243807.db2.gz YSXDPMBKHSKBLY-NFAWXSAZSA-N 1 2 229.323 2.470 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C(=O)OC ZINC000619701520 363633617 /nfs/dbraw/zinc/63/36/17/363633617.db2.gz LVYLDWFPERIVIJ-JSGCOSHPSA-N 1 2 245.322 2.034 20 30 BEEDLO C#CC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153545 359275128 /nfs/dbraw/zinc/27/51/28/359275128.db2.gz UBGPYKKQGNESDL-LSDHHAIUSA-N 1 2 224.307 2.391 20 30 BEEDLO C#CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153545 359275131 /nfs/dbraw/zinc/27/51/31/359275131.db2.gz UBGPYKKQGNESDL-LSDHHAIUSA-N 1 2 224.307 2.391 20 30 BEEDLO Cc1nnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000611388549 359357981 /nfs/dbraw/zinc/35/79/81/359357981.db2.gz JIUWKCSBCVLNFN-VIFPVBQESA-N 1 2 242.282 2.101 20 30 BEEDLO C[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C[C@@H]1F ZINC000611501385 359383576 /nfs/dbraw/zinc/38/35/76/359383576.db2.gz BGBVKFMLEHLSQU-WOPDTQHZSA-N 1 2 223.295 2.110 20 30 BEEDLO C[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]1F ZINC000611501385 359383577 /nfs/dbraw/zinc/38/35/77/359383577.db2.gz BGBVKFMLEHLSQU-WOPDTQHZSA-N 1 2 223.295 2.110 20 30 BEEDLO C[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C[C@@H]1F ZINC000611501350 359383703 /nfs/dbraw/zinc/38/37/03/359383703.db2.gz AZOSAQSITAIOOE-GWCFXTLKSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C[C@@H]1F ZINC000611501350 359383706 /nfs/dbraw/zinc/38/37/06/359383706.db2.gz AZOSAQSITAIOOE-GWCFXTLKSA-N 1 2 233.290 2.133 20 30 BEEDLO C#CC[N@@H+](Cc1c(C)onc1CC)C1CC1 ZINC000274200108 359510197 /nfs/dbraw/zinc/51/01/97/359510197.db2.gz RKLBCKSNXNAUEE-UHFFFAOYSA-N 1 2 218.300 2.143 20 30 BEEDLO C#CC[N@H+](Cc1c(C)onc1CC)C1CC1 ZINC000274200108 359510202 /nfs/dbraw/zinc/51/02/02/359510202.db2.gz RKLBCKSNXNAUEE-UHFFFAOYSA-N 1 2 218.300 2.143 20 30 BEEDLO COc1ccsc1C[NH2+]C[C@H](C)C#N ZINC000379648188 359574074 /nfs/dbraw/zinc/57/40/74/359574074.db2.gz BNLVIAZTGCXCHJ-MRVPVSSYSA-N 1 2 210.302 2.006 20 30 BEEDLO COc1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000612162076 359713263 /nfs/dbraw/zinc/71/32/63/359713263.db2.gz YOUOZXDUQKLPMS-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000612162076 359713265 /nfs/dbraw/zinc/71/32/65/359713265.db2.gz YOUOZXDUQKLPMS-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000612163047 359713772 /nfs/dbraw/zinc/71/37/72/359713772.db2.gz NLCDHSHKMANDFN-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000612163047 359713776 /nfs/dbraw/zinc/71/37/76/359713776.db2.gz NLCDHSHKMANDFN-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO C=C(CC)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000450918157 202308112 /nfs/dbraw/zinc/30/81/12/202308112.db2.gz ZQXXKFYOKRKWTG-UHFFFAOYSA-N 1 2 217.316 2.462 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H](C)c1ccc(C)cc1)C(=O)OC ZINC000619702714 363679676 /nfs/dbraw/zinc/67/96/76/363679676.db2.gz QDNIHLCBKQITFE-JSGCOSHPSA-N 1 2 247.338 2.416 20 30 BEEDLO CC[C@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000119842409 359987851 /nfs/dbraw/zinc/98/78/51/359987851.db2.gz NZQNDHOIDIJOBO-HNNXBMFYSA-N 1 2 247.313 2.288 20 30 BEEDLO CC[C@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000119842409 359987854 /nfs/dbraw/zinc/98/78/54/359987854.db2.gz NZQNDHOIDIJOBO-HNNXBMFYSA-N 1 2 247.313 2.288 20 30 BEEDLO CC[N@@H+](Cc1ccc(COC)o1)C[C@H](C)C#N ZINC000091982408 360140734 /nfs/dbraw/zinc/14/07/34/360140734.db2.gz BDTWYIIFIRVJLB-LLVKDONJSA-N 1 2 236.315 2.408 20 30 BEEDLO CC[N@H+](Cc1ccc(COC)o1)C[C@H](C)C#N ZINC000091982408 360140736 /nfs/dbraw/zinc/14/07/36/360140736.db2.gz BDTWYIIFIRVJLB-LLVKDONJSA-N 1 2 236.315 2.408 20 30 BEEDLO CCc1ccccc1NC(=O)C[NH2+][C@H](C)CC#N ZINC000067405927 370667569 /nfs/dbraw/zinc/66/75/69/370667569.db2.gz SCGWIEKNGZXYBI-LLVKDONJSA-N 1 2 245.326 2.079 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cn2cccc(F)c2n1 ZINC000613043436 360296106 /nfs/dbraw/zinc/29/61/06/360296106.db2.gz ORHVMFMWWNOOJV-SNVBAGLBSA-N 1 2 246.289 2.255 20 30 BEEDLO Cc1ccc(NC(=O)C(C)(C)C#N)c(C)[nH+]1 ZINC000094666170 360314668 /nfs/dbraw/zinc/31/46/68/360314668.db2.gz IFPVGAUGCGGJIS-UHFFFAOYSA-N 1 2 217.272 2.187 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000306532957 360391504 /nfs/dbraw/zinc/39/15/04/360391504.db2.gz HEDXXYJHGBYQCD-JTQLQIEISA-N 1 2 203.713 2.096 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000306532957 360391509 /nfs/dbraw/zinc/39/15/09/360391509.db2.gz HEDXXYJHGBYQCD-JTQLQIEISA-N 1 2 203.713 2.096 20 30 BEEDLO C=C[C@H]([NH2+]CC(C(C)C)C(C)C)C(=O)OC ZINC000300773015 360486835 /nfs/dbraw/zinc/48/68/35/360486835.db2.gz BSTDDWHTXPGOLK-LBPRGKRZSA-N 1 2 227.348 2.232 20 30 BEEDLO C=CCCC(C)(C)CNC(=O)Cc1[nH+]c[nH]c1C ZINC000633964544 360645744 /nfs/dbraw/zinc/64/57/44/360645744.db2.gz DHIKVNAHRWOZTL-UHFFFAOYSA-N 1 2 249.358 2.369 20 30 BEEDLO N#Cc1ccc(Cn2cc[nH+]c2)c(Cl)c1 ZINC000039474110 360710109 /nfs/dbraw/zinc/71/01/09/360710109.db2.gz CZODSZNSWNDVBM-UHFFFAOYSA-N 1 2 217.659 2.456 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCOCCCC ZINC000428880509 201047923 /nfs/dbraw/zinc/04/79/23/201047923.db2.gz KFSOVKHUZUIPIZ-UHFFFAOYSA-N 1 2 210.321 2.205 20 30 BEEDLO C=CC[N@H+](CCC#N)CCOCCCC ZINC000428880509 201047925 /nfs/dbraw/zinc/04/79/25/201047925.db2.gz KFSOVKHUZUIPIZ-UHFFFAOYSA-N 1 2 210.321 2.205 20 30 BEEDLO C=CCN(CCC#N)Cc1c[nH+]c2ccccn12 ZINC000428869433 201048118 /nfs/dbraw/zinc/04/81/18/201048118.db2.gz DEMDUVWGNZJFIR-UHFFFAOYSA-N 1 2 240.310 2.236 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(C(C)C)[nH]1 ZINC000428984725 201055525 /nfs/dbraw/zinc/05/55/25/201055525.db2.gz ILPFPAFZJQHWIZ-LLVKDONJSA-N 1 2 234.347 2.469 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(C(C)C)[nH]1 ZINC000428984725 201055526 /nfs/dbraw/zinc/05/55/26/201055526.db2.gz ILPFPAFZJQHWIZ-LLVKDONJSA-N 1 2 234.347 2.469 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000579325155 366759540 /nfs/dbraw/zinc/75/95/40/366759540.db2.gz QDXAKGUYJFHUEP-LBPRGKRZSA-N 1 2 229.327 2.352 20 30 BEEDLO CCCC[C@@H]([NH2+]CC1(CC#N)CC1)C(=O)OC ZINC000429802035 201133573 /nfs/dbraw/zinc/13/35/73/201133573.db2.gz XLMUQGXTZFXQQC-LLVKDONJSA-N 1 2 238.331 2.002 20 30 BEEDLO C=CC[N@@H+](C/C=C\c1ccncc1)CCC#N ZINC000430096279 201142727 /nfs/dbraw/zinc/14/27/27/201142727.db2.gz FCWNPUCRMZVHIJ-HYXAFXHYSA-N 1 2 227.311 2.496 20 30 BEEDLO C=CC[N@H+](C/C=C\c1ccncc1)CCC#N ZINC000430096279 201142729 /nfs/dbraw/zinc/14/27/29/201142729.db2.gz FCWNPUCRMZVHIJ-HYXAFXHYSA-N 1 2 227.311 2.496 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000070663272 361706792 /nfs/dbraw/zinc/70/67/92/361706792.db2.gz GLMDIVAATQZUKE-SNVBAGLBSA-N 1 2 206.314 2.484 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000070663272 361706797 /nfs/dbraw/zinc/70/67/97/361706797.db2.gz GLMDIVAATQZUKE-SNVBAGLBSA-N 1 2 206.314 2.484 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000619718709 363917605 /nfs/dbraw/zinc/91/76/05/363917605.db2.gz UVJMPFHEKFNNBT-IACUBPJLSA-N 1 2 245.322 2.407 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000619718709 363917609 /nfs/dbraw/zinc/91/76/09/363917609.db2.gz UVJMPFHEKFNNBT-IACUBPJLSA-N 1 2 245.322 2.407 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000619718642 363918714 /nfs/dbraw/zinc/91/87/14/363918714.db2.gz SFPLBMOKSRSRDD-OLZOCXBDSA-N 1 2 231.295 2.161 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H]1c1ccccc1 ZINC000619718642 363918718 /nfs/dbraw/zinc/91/87/18/363918718.db2.gz SFPLBMOKSRSRDD-OLZOCXBDSA-N 1 2 231.295 2.161 20 30 BEEDLO C=CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000033952652 368263324 /nfs/dbraw/zinc/26/33/24/368263324.db2.gz RVCFINBSQLHKPW-ZDUSSCGKSA-N 1 2 203.285 2.246 20 30 BEEDLO C=CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000033952652 368263327 /nfs/dbraw/zinc/26/33/27/368263327.db2.gz RVCFINBSQLHKPW-ZDUSSCGKSA-N 1 2 203.285 2.246 20 30 BEEDLO CC(C)(CCC#N)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000615849397 368530857 /nfs/dbraw/zinc/53/08/57/368530857.db2.gz KZPXGWHVRCEILG-JTQLQIEISA-N 1 2 246.301 2.018 20 30 BEEDLO CC(C)(CCC#N)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000615849397 368530860 /nfs/dbraw/zinc/53/08/60/368530860.db2.gz KZPXGWHVRCEILG-JTQLQIEISA-N 1 2 246.301 2.018 20 30 BEEDLO C=CC[NH+](CC=C)CC(=O)OC(C)(C)C ZINC000070925662 368766694 /nfs/dbraw/zinc/76/66/94/368766694.db2.gz CANRCHCFJOQUNW-UHFFFAOYSA-N 1 2 211.305 2.002 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459401104 203274655 /nfs/dbraw/zinc/27/46/55/203274655.db2.gz NIHNCTRDEVIIPA-UHFFFAOYSA-N 1 2 245.282 2.474 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459401104 203274657 /nfs/dbraw/zinc/27/46/57/203274657.db2.gz NIHNCTRDEVIIPA-UHFFFAOYSA-N 1 2 245.282 2.474 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccn(C)n1 ZINC000459738523 203349713 /nfs/dbraw/zinc/34/97/13/203349713.db2.gz CZIQBNHANHTUQM-LLVKDONJSA-N 1 2 240.310 2.143 20 30 BEEDLO C=C[C@@H]([NH2+]CCCCc1ccccc1)C(=O)OC ZINC000619699660 369533367 /nfs/dbraw/zinc/53/33/67/369533367.db2.gz IZZZLMPIHMIEAG-CQSZACIVSA-N 1 2 247.338 2.327 20 30 BEEDLO Cc1[nH+]c(C(C)C)ccc1Cn1cc(C#N)nn1 ZINC000603333499 369926576 /nfs/dbraw/zinc/92/65/76/369926576.db2.gz GSUCCFGZXHFTMO-UHFFFAOYSA-N 1 2 241.298 2.025 20 30 BEEDLO C=C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)C(=O)OC ZINC000308771109 370163711 /nfs/dbraw/zinc/16/37/11/370163711.db2.gz ZUNXLISNMDIKMR-GFCCVEGCSA-N 1 2 237.343 2.440 20 30 BEEDLO C=C(C)CN(C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000621459744 370363296 /nfs/dbraw/zinc/36/32/96/370363296.db2.gz NDXLLIUTFWAPBX-WDEREUQCSA-N 1 2 248.330 2.106 20 30 BEEDLO COCC#CC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621401862 370339813 /nfs/dbraw/zinc/33/98/13/370339813.db2.gz LYZHBVSLNTVCLK-LBPRGKRZSA-N 1 2 245.313 2.440 20 30 BEEDLO CC(F)(F)C[NH2+]Cc1cc(C#N)cs1 ZINC000378748285 371019061 /nfs/dbraw/zinc/01/90/61/371019061.db2.gz MXCDNNUZIOSOHM-UHFFFAOYSA-N 1 2 216.256 2.365 20 30 BEEDLO CC[C@@H](Nc1ncccc1C#N)c1[nH]cc[nH+]1 ZINC000139818479 371226053 /nfs/dbraw/zinc/22/60/53/371226053.db2.gz YIANLTYYCCWOBO-SNVBAGLBSA-N 1 2 227.271 2.240 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1ncc(Cl)s1 ZINC000225521458 371534733 /nfs/dbraw/zinc/53/47/33/371534733.db2.gz CGEASBGXXOOGJB-UHFFFAOYSA-N 1 2 229.736 2.436 20 30 BEEDLO OCCCCCC/[NH+]=C/c1ccccc1O ZINC000006567729 183043231 /nfs/dbraw/zinc/04/32/31/183043231.db2.gz LVONUTGNMOQADN-SDNWHVSQSA-N 1 2 221.300 2.364 20 30 BEEDLO C=C(C)C[NH2+][C@H](C(=O)OCC)[C@@H](C)CC ZINC000181630754 134338270 /nfs/dbraw/zinc/33/82/70/134338270.db2.gz BROITGCFWPTBCW-QWRGUYRKSA-N 1 2 213.321 2.130 20 30 BEEDLO C=CCCC[N@@H+](C)Cc1nnc(CC)s1 ZINC000680053375 487528299 /nfs/dbraw/zinc/52/82/99/487528299.db2.gz KTMIONKTEJSXRM-UHFFFAOYSA-N 1 2 225.361 2.499 20 30 BEEDLO C=CCCC[N@H+](C)Cc1nnc(CC)s1 ZINC000680053375 487528303 /nfs/dbraw/zinc/52/83/03/487528303.db2.gz KTMIONKTEJSXRM-UHFFFAOYSA-N 1 2 225.361 2.499 20 30 BEEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001644986092 1172623573 /nfs/dbraw/zinc/62/35/73/1172623573.db2.gz LJTATZPZIXMQHK-MXWKQRLJSA-N 1 2 239.269 2.017 20 30 BEEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001644986092 1172623580 /nfs/dbraw/zinc/62/35/80/1172623580.db2.gz LJTATZPZIXMQHK-MXWKQRLJSA-N 1 2 239.269 2.017 20 30 BEEDLO C#CCC(C)(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000294769410 532995350 /nfs/dbraw/zinc/99/53/50/532995350.db2.gz AUVCSBFNYGIXBZ-UHFFFAOYSA-N 1 2 241.294 2.322 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000334234874 383849199 /nfs/dbraw/zinc/84/91/99/383849199.db2.gz QIIFTQGAMOBUPH-QWHCGFSZSA-N 1 2 248.351 2.373 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000334234874 383849205 /nfs/dbraw/zinc/84/92/05/383849205.db2.gz QIIFTQGAMOBUPH-QWHCGFSZSA-N 1 2 248.351 2.373 20 30 BEEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1C#N ZINC000087829057 383870875 /nfs/dbraw/zinc/87/08/75/383870875.db2.gz ALLOKIWVFSEAQO-NSHDSACASA-N 1 2 243.310 2.158 20 30 BEEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1C#N ZINC000087829057 383870882 /nfs/dbraw/zinc/87/08/82/383870882.db2.gz ALLOKIWVFSEAQO-NSHDSACASA-N 1 2 243.310 2.158 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2cccc(C#N)c2F)[C@H]1C ZINC000334445038 383898487 /nfs/dbraw/zinc/89/84/87/383898487.db2.gz NTZUVHCDPOAFNH-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2cccc(C#N)c2F)[C@H]1C ZINC000334445038 383898490 /nfs/dbraw/zinc/89/84/90/383898490.db2.gz NTZUVHCDPOAFNH-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO Cn1c[nH+]cc1CNc1c(F)cc(C#N)cc1F ZINC000335163226 384170716 /nfs/dbraw/zinc/17/07/16/384170716.db2.gz IFJGMVBODHDQBM-UHFFFAOYSA-N 1 2 248.236 2.182 20 30 BEEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000336263099 384186811 /nfs/dbraw/zinc/18/68/11/384186811.db2.gz RAZDSFUUPPZNDX-GFCCVEGCSA-N 1 2 234.274 2.111 20 30 BEEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](F)C1 ZINC000336263099 384186815 /nfs/dbraw/zinc/18/68/15/384186815.db2.gz RAZDSFUUPPZNDX-GFCCVEGCSA-N 1 2 234.274 2.111 20 30 BEEDLO Cc1ccc2[nH+]cc(CN(C)[C@@H](C)CC#N)n2c1 ZINC000093091197 384209068 /nfs/dbraw/zinc/20/90/68/384209068.db2.gz QCPVMCJUSAOEIU-LBPRGKRZSA-N 1 2 242.326 2.377 20 30 BEEDLO Cc1ncsc1C[N@@H+](C)C[C@H](C)C#N ZINC000082633050 384253815 /nfs/dbraw/zinc/25/38/15/384253815.db2.gz QJZOXWZVIVMKOY-MRVPVSSYSA-N 1 2 209.318 2.043 20 30 BEEDLO Cc1ncsc1C[N@H+](C)C[C@H](C)C#N ZINC000082633050 384253819 /nfs/dbraw/zinc/25/38/19/384253819.db2.gz QJZOXWZVIVMKOY-MRVPVSSYSA-N 1 2 209.318 2.043 20 30 BEEDLO CC(C)OC(=O)CC[N@H+](CC#N)C1CCCC1 ZINC000173780445 384260659 /nfs/dbraw/zinc/26/06/59/384260659.db2.gz LDNNPYCBESQNGD-UHFFFAOYSA-N 1 2 238.331 2.096 20 30 BEEDLO CC(C)OC(=O)CC[N@@H+](CC#N)C1CCCC1 ZINC000173780445 384260661 /nfs/dbraw/zinc/26/06/61/384260661.db2.gz LDNNPYCBESQNGD-UHFFFAOYSA-N 1 2 238.331 2.096 20 30 BEEDLO Cc1cc(N2CC[C@@H](C3CC3)C2)c(C#N)c[nH+]1 ZINC000335592011 384312581 /nfs/dbraw/zinc/31/25/81/384312581.db2.gz LJDCQJNRCQOMAP-GFCCVEGCSA-N 1 2 227.311 2.498 20 30 BEEDLO Cc1cc(N(C)CC2CC2)c(C#N)c[nH+]1 ZINC000335510824 384294658 /nfs/dbraw/zinc/29/46/58/384294658.db2.gz KYTWJKYFWVUFHB-UHFFFAOYSA-N 1 2 201.273 2.108 20 30 BEEDLO Cc1cc(N2CC[C@@H](C)[C@@H]2C)c(C#N)c[nH+]1 ZINC000335508754 384296058 /nfs/dbraw/zinc/29/60/58/384296058.db2.gz BUNPHGJSRIBIJW-KOLCDFICSA-N 1 2 215.300 2.496 20 30 BEEDLO CC[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000335510947 384296400 /nfs/dbraw/zinc/29/64/00/384296400.db2.gz NVPSTCAKYCRLOL-NSHDSACASA-N 1 2 215.300 2.498 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C)o1 ZINC000490917335 384487819 /nfs/dbraw/zinc/48/78/19/384487819.db2.gz XGAARKOYABUXTC-UHFFFAOYSA-N 1 2 201.269 2.047 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(C)o1 ZINC000490917335 384487824 /nfs/dbraw/zinc/48/78/24/384487824.db2.gz XGAARKOYABUXTC-UHFFFAOYSA-N 1 2 201.269 2.047 20 30 BEEDLO Cc1ccc2[nH+]c(CN(C)[C@H](C)CC#N)cn2c1 ZINC000161923118 384544701 /nfs/dbraw/zinc/54/47/01/384544701.db2.gz OZSGSYXKOXWNQU-GFCCVEGCSA-N 1 2 242.326 2.377 20 30 BEEDLO N#CC[N@H+](CCc1cccnc1)C1CCCC1 ZINC000080215717 384538523 /nfs/dbraw/zinc/53/85/23/384538523.db2.gz ZSRXDIHAOCQXSU-UHFFFAOYSA-N 1 2 229.327 2.392 20 30 BEEDLO N#CC[N@@H+](CCc1cccnc1)C1CCCC1 ZINC000080215717 384538527 /nfs/dbraw/zinc/53/85/27/384538527.db2.gz ZSRXDIHAOCQXSU-UHFFFAOYSA-N 1 2 229.327 2.392 20 30 BEEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)cc(OC)c1 ZINC000098142506 384596260 /nfs/dbraw/zinc/59/62/60/384596260.db2.gz MZOVYCODAWOIDQ-LLVKDONJSA-N 1 2 248.326 2.438 20 30 BEEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(OC)c1 ZINC000098142506 384596264 /nfs/dbraw/zinc/59/62/64/384596264.db2.gz MZOVYCODAWOIDQ-LLVKDONJSA-N 1 2 248.326 2.438 20 30 BEEDLO C#C[C@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000310041728 384600582 /nfs/dbraw/zinc/60/05/82/384600582.db2.gz YXSMUTLSXQYJTQ-LLVKDONJSA-N 1 2 215.300 2.486 20 30 BEEDLO Cc1cc(C[N@H+](C)CCC#N)ccc1F ZINC000157785954 384797820 /nfs/dbraw/zinc/79/78/20/384797820.db2.gz ZYWLBDMGNSSTOD-UHFFFAOYSA-N 1 2 206.264 2.480 20 30 BEEDLO Cc1cc(C[N@@H+](C)CCC#N)ccc1F ZINC000157785954 384797830 /nfs/dbraw/zinc/79/78/30/384797830.db2.gz ZYWLBDMGNSSTOD-UHFFFAOYSA-N 1 2 206.264 2.480 20 30 BEEDLO CCOC(=O)[C@H](CC)[N@H+](CCCC#N)C1CC1 ZINC000190612560 384800043 /nfs/dbraw/zinc/80/00/43/384800043.db2.gz KSEBSOITYNDBBP-LBPRGKRZSA-N 1 2 238.331 2.096 20 30 BEEDLO CCOC(=O)[C@H](CC)[N@@H+](CCCC#N)C1CC1 ZINC000190612560 384800052 /nfs/dbraw/zinc/80/00/52/384800052.db2.gz KSEBSOITYNDBBP-LBPRGKRZSA-N 1 2 238.331 2.096 20 30 BEEDLO CCOC(=O)[C@@H](CC)[N@H+](CCCC#N)C1CC1 ZINC000190612579 384801245 /nfs/dbraw/zinc/80/12/45/384801245.db2.gz KSEBSOITYNDBBP-GFCCVEGCSA-N 1 2 238.331 2.096 20 30 BEEDLO CCOC(=O)[C@@H](CC)[N@@H+](CCCC#N)C1CC1 ZINC000190612579 384801248 /nfs/dbraw/zinc/80/12/48/384801248.db2.gz KSEBSOITYNDBBP-GFCCVEGCSA-N 1 2 238.331 2.096 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(Cl)nc1 ZINC000042450441 384802222 /nfs/dbraw/zinc/80/22/22/384802222.db2.gz RHCSZHUTMGIREK-UHFFFAOYSA-N 1 2 223.707 2.471 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(Cl)nc1 ZINC000042450441 384802227 /nfs/dbraw/zinc/80/22/27/384802227.db2.gz RHCSZHUTMGIREK-UHFFFAOYSA-N 1 2 223.707 2.471 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000058575432 385014139 /nfs/dbraw/zinc/01/41/39/385014139.db2.gz LKIPQHHEVLXJBR-NSHDSACASA-N 1 2 213.284 2.292 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000058575432 385014147 /nfs/dbraw/zinc/01/41/47/385014147.db2.gz LKIPQHHEVLXJBR-NSHDSACASA-N 1 2 213.284 2.292 20 30 BEEDLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000062797031 385186840 /nfs/dbraw/zinc/18/68/40/385186840.db2.gz KQRLCCIVXXPHJG-NSHDSACASA-N 1 2 246.310 2.207 20 30 BEEDLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000062797031 385186846 /nfs/dbraw/zinc/18/68/46/385186846.db2.gz KQRLCCIVXXPHJG-NSHDSACASA-N 1 2 246.310 2.207 20 30 BEEDLO CC#CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000246599134 385193968 /nfs/dbraw/zinc/19/39/68/385193968.db2.gz GCZJRWMZCIWKFN-UKRRQHHQSA-N 1 2 229.323 2.472 20 30 BEEDLO CC#CC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000246599134 385193972 /nfs/dbraw/zinc/19/39/72/385193972.db2.gz GCZJRWMZCIWKFN-UKRRQHHQSA-N 1 2 229.323 2.472 20 30 BEEDLO Cc1ccc(NC(=O)N(C)[C@H](C)CC#N)c(C)[nH+]1 ZINC000152158334 385157642 /nfs/dbraw/zinc/15/76/42/385157642.db2.gz KKZRHCZIWAUVNX-SNVBAGLBSA-N 1 2 246.314 2.464 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000063086361 385206976 /nfs/dbraw/zinc/20/69/76/385206976.db2.gz PELBSDVEMMNKIP-GFCCVEGCSA-N 1 2 243.310 2.171 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000063086361 385206980 /nfs/dbraw/zinc/20/69/80/385206980.db2.gz PELBSDVEMMNKIP-GFCCVEGCSA-N 1 2 243.310 2.171 20 30 BEEDLO Cc1noc(C)c1CC[N@@H+](C)[C@@H](C)CC#N ZINC000166408366 385244119 /nfs/dbraw/zinc/24/41/19/385244119.db2.gz MHWQKYSECGXAKA-VIFPVBQESA-N 1 2 221.304 2.068 20 30 BEEDLO Cc1noc(C)c1CC[N@H+](C)[C@@H](C)CC#N ZINC000166408366 385244121 /nfs/dbraw/zinc/24/41/21/385244121.db2.gz MHWQKYSECGXAKA-VIFPVBQESA-N 1 2 221.304 2.068 20 30 BEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000157958331 385314525 /nfs/dbraw/zinc/31/45/25/385314525.db2.gz UVIFWKAATLPIGG-CYBMUJFWSA-N 1 2 247.342 2.075 20 30 BEEDLO N#CCC[C@H](C#N)C[N@H+]1CCOC2(CCCC2)C1 ZINC000157958331 385314538 /nfs/dbraw/zinc/31/45/38/385314538.db2.gz UVIFWKAATLPIGG-CYBMUJFWSA-N 1 2 247.342 2.075 20 30 BEEDLO CCc1nn(C)cc1C[N@H+](CCC#N)CC1CC1 ZINC000180058040 385394958 /nfs/dbraw/zinc/39/49/58/385394958.db2.gz UCUSRLZTNUZUTE-UHFFFAOYSA-N 1 2 246.358 2.108 20 30 BEEDLO CCc1nn(C)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000180058040 385394961 /nfs/dbraw/zinc/39/49/61/385394961.db2.gz UCUSRLZTNUZUTE-UHFFFAOYSA-N 1 2 246.358 2.108 20 30 BEEDLO CSCCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000171201422 385473956 /nfs/dbraw/zinc/47/39/56/385473956.db2.gz BVBJRQSDAQZKRE-UHFFFAOYSA-N 1 2 244.747 2.340 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cncc(F)c1 ZINC000309219305 385486547 /nfs/dbraw/zinc/48/65/47/385486547.db2.gz UZJDVWMGQGXISU-NSHDSACASA-N 1 2 207.252 2.003 20 30 BEEDLO COc1cccc(C(N)=[NH+]OCC2CCC2)c1 ZINC000158011216 385543502 /nfs/dbraw/zinc/54/35/02/385543502.db2.gz BHJFBPRVQWSJAF-UHFFFAOYSA-N 1 2 234.299 2.132 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1c(F)cccc1F ZINC000054179014 385597699 /nfs/dbraw/zinc/59/76/99/385597699.db2.gz UKDPGUNGYAYTBX-QMMMGPOBSA-N 1 2 210.227 2.214 20 30 BEEDLO N#CCC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000309523563 385656601 /nfs/dbraw/zinc/65/66/01/385656601.db2.gz ULVDBBJHNUEABC-UHFFFAOYSA-N 1 2 236.702 2.278 20 30 BEEDLO C=CC[N@@H+](C)Cc1cnc(Cl)s1 ZINC000121626767 385860308 /nfs/dbraw/zinc/86/03/08/385860308.db2.gz CRRWKVRKKSIVFV-UHFFFAOYSA-N 1 2 202.710 2.414 20 30 BEEDLO C=CC[N@H+](C)Cc1cnc(Cl)s1 ZINC000121626767 385860312 /nfs/dbraw/zinc/86/03/12/385860312.db2.gz CRRWKVRKKSIVFV-UHFFFAOYSA-N 1 2 202.710 2.414 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H](C)[C@H](C)O1 ZINC000438355019 385973211 /nfs/dbraw/zinc/97/32/11/385973211.db2.gz QXHLNPPPMOROCE-MXWKQRLJSA-N 1 2 234.299 2.149 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@H](C)[C@H](C)O1 ZINC000438355019 385973219 /nfs/dbraw/zinc/97/32/19/385973219.db2.gz QXHLNPPPMOROCE-MXWKQRLJSA-N 1 2 234.299 2.149 20 30 BEEDLO CO[C@@H](C)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000334454114 386102141 /nfs/dbraw/zinc/10/21/41/386102141.db2.gz UYFHXMJIFPPJLS-WDEREUQCSA-N 1 2 210.321 2.035 20 30 BEEDLO CO[C@@H](C)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000334454114 386102143 /nfs/dbraw/zinc/10/21/43/386102143.db2.gz UYFHXMJIFPPJLS-WDEREUQCSA-N 1 2 210.321 2.035 20 30 BEEDLO CO[C@H](C)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000334454110 386102169 /nfs/dbraw/zinc/10/21/69/386102169.db2.gz UYFHXMJIFPPJLS-GHMZBOCLSA-N 1 2 210.321 2.035 20 30 BEEDLO CO[C@H](C)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000334454110 386102171 /nfs/dbraw/zinc/10/21/71/386102171.db2.gz UYFHXMJIFPPJLS-GHMZBOCLSA-N 1 2 210.321 2.035 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425438733 386066403 /nfs/dbraw/zinc/06/64/03/386066403.db2.gz BBEJNCKCLVVWCM-UHFFFAOYSA-N 1 2 217.219 2.015 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425438733 386066408 /nfs/dbraw/zinc/06/64/08/386066408.db2.gz BBEJNCKCLVVWCM-UHFFFAOYSA-N 1 2 217.219 2.015 20 30 BEEDLO C=C(C)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287440254 386122734 /nfs/dbraw/zinc/12/27/34/386122734.db2.gz HGLCKIFKRVMLGA-UHFFFAOYSA-N 1 2 219.288 2.396 20 30 BEEDLO CC[N@@H+](Cc1cncc(C)c1)C[C@H](C)C#N ZINC000189828500 386091406 /nfs/dbraw/zinc/09/14/06/386091406.db2.gz DENRKIFWGWCXRI-GFCCVEGCSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1cncc(C)c1)C[C@H](C)C#N ZINC000189828500 386091412 /nfs/dbraw/zinc/09/14/12/386091412.db2.gz DENRKIFWGWCXRI-GFCCVEGCSA-N 1 2 217.316 2.372 20 30 BEEDLO CCc1ncc(C[N@H+](CC)C[C@@H](C)C#N)cn1 ZINC000414370596 386160072 /nfs/dbraw/zinc/16/00/72/386160072.db2.gz KVSUYSLWTIPXQZ-NSHDSACASA-N 1 2 232.331 2.021 20 30 BEEDLO CCc1ncc(C[N@@H+](CC)C[C@@H](C)C#N)cn1 ZINC000414370596 386160074 /nfs/dbraw/zinc/16/00/74/386160074.db2.gz KVSUYSLWTIPXQZ-NSHDSACASA-N 1 2 232.331 2.021 20 30 BEEDLO Cc1ncccc1C[N@@H+](C)[C@H](C)CC#N ZINC000093091065 386131950 /nfs/dbraw/zinc/13/19/50/386131950.db2.gz YNUSNIAOGNRLOV-SNVBAGLBSA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1ncccc1C[N@H+](C)[C@H](C)CC#N ZINC000093091065 386131956 /nfs/dbraw/zinc/13/19/56/386131956.db2.gz YNUSNIAOGNRLOV-SNVBAGLBSA-N 1 2 203.289 2.124 20 30 BEEDLO CO[C@@H](C[N@@H+]1CCCC(C)(C)[C@@H]1C#N)C1CC1 ZINC000425467336 386134252 /nfs/dbraw/zinc/13/42/52/386134252.db2.gz BPOPXNOPFUCYHF-STQMWFEESA-N 1 2 236.359 2.426 20 30 BEEDLO CO[C@@H](C[N@H+]1CCCC(C)(C)[C@@H]1C#N)C1CC1 ZINC000425467336 386134259 /nfs/dbraw/zinc/13/42/59/386134259.db2.gz BPOPXNOPFUCYHF-STQMWFEESA-N 1 2 236.359 2.426 20 30 BEEDLO CO[C@@H](C[N@@H+]1CCCC(C)(C)[C@H]1C#N)C1CC1 ZINC000425467325 386135922 /nfs/dbraw/zinc/13/59/22/386135922.db2.gz BPOPXNOPFUCYHF-QWHCGFSZSA-N 1 2 236.359 2.426 20 30 BEEDLO CO[C@@H](C[N@H+]1CCCC(C)(C)[C@H]1C#N)C1CC1 ZINC000425467325 386135928 /nfs/dbraw/zinc/13/59/28/386135928.db2.gz BPOPXNOPFUCYHF-QWHCGFSZSA-N 1 2 236.359 2.426 20 30 BEEDLO CCc1ncc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000414386231 386237331 /nfs/dbraw/zinc/23/73/31/386237331.db2.gz WGMYDMMCJKHOST-UHFFFAOYSA-N 1 2 244.342 2.165 20 30 BEEDLO CCc1ncc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000414386231 386237336 /nfs/dbraw/zinc/23/73/36/386237336.db2.gz WGMYDMMCJKHOST-UHFFFAOYSA-N 1 2 244.342 2.165 20 30 BEEDLO C=CCCC[N@@H+](C)Cc1ncnn1C(C)C ZINC000280145938 386327516 /nfs/dbraw/zinc/32/75/16/386327516.db2.gz WWNDXUHEJZPLGW-UHFFFAOYSA-N 1 2 222.336 2.257 20 30 BEEDLO C=CCCC[N@H+](C)Cc1ncnn1C(C)C ZINC000280145938 386327518 /nfs/dbraw/zinc/32/75/18/386327518.db2.gz WWNDXUHEJZPLGW-UHFFFAOYSA-N 1 2 222.336 2.257 20 30 BEEDLO CCC[N@@H+](CC#N)CC[C@@H]1CCCCO1 ZINC000347480005 386436624 /nfs/dbraw/zinc/43/66/24/386436624.db2.gz LVCWGODRVSVXTL-LBPRGKRZSA-N 1 2 210.321 2.181 20 30 BEEDLO CCC[N@H+](CC#N)CC[C@@H]1CCCCO1 ZINC000347480005 386436632 /nfs/dbraw/zinc/43/66/32/386436632.db2.gz LVCWGODRVSVXTL-LBPRGKRZSA-N 1 2 210.321 2.181 20 30 BEEDLO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCO[C@H](C#N)C1 ZINC000191066352 386472375 /nfs/dbraw/zinc/47/23/75/386472375.db2.gz YKFNYEXNZRUEBU-BFHYXJOUSA-N 1 2 234.343 2.203 20 30 BEEDLO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@H](C#N)C1 ZINC000191066352 386472379 /nfs/dbraw/zinc/47/23/79/386472379.db2.gz YKFNYEXNZRUEBU-BFHYXJOUSA-N 1 2 234.343 2.203 20 30 BEEDLO C=CC(C)(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000519578907 386495780 /nfs/dbraw/zinc/49/57/80/386495780.db2.gz NNMZYQVBQFNRQC-UHFFFAOYSA-N 1 2 218.300 2.271 20 30 BEEDLO C=CCC[C@@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000320149024 386522285 /nfs/dbraw/zinc/52/22/85/386522285.db2.gz CNQPLIZZUAGQDR-NSHDSACASA-N 1 2 245.326 2.312 20 30 BEEDLO C=CCC[C@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000320149021 386523450 /nfs/dbraw/zinc/52/34/50/386523450.db2.gz CNQPLIZZUAGQDR-LLVKDONJSA-N 1 2 245.326 2.312 20 30 BEEDLO C=C(Cl)CSc1nc(N)cc(C)[nH+]1 ZINC000048397725 386574799 /nfs/dbraw/zinc/57/47/99/386574799.db2.gz BACXDPSAISGEFB-UHFFFAOYSA-N 1 2 215.709 2.212 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000343236127 386541865 /nfs/dbraw/zinc/54/18/65/386541865.db2.gz GGXAUJFQCYVSPC-VIFPVBQESA-N 1 2 221.304 2.193 20 30 BEEDLO CCN(Cc1c[nH+]cn1C(C)C)C[C@H](C)C#N ZINC000425325419 386561044 /nfs/dbraw/zinc/56/10/44/386561044.db2.gz MNEUQRTXNPTQPO-GFCCVEGCSA-N 1 2 234.347 2.446 20 30 BEEDLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328935666 386648325 /nfs/dbraw/zinc/64/83/25/386648325.db2.gz JHEAQBXYYUTFSM-RKDXNWHRSA-N 1 2 233.315 2.270 20 30 BEEDLO CC1(C)C[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328935666 386648330 /nfs/dbraw/zinc/64/83/30/386648330.db2.gz JHEAQBXYYUTFSM-RKDXNWHRSA-N 1 2 233.315 2.270 20 30 BEEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1nccn1C(F)F ZINC000330666565 386816860 /nfs/dbraw/zinc/81/68/60/386816860.db2.gz SHGHMEKFCMCWRO-RKDXNWHRSA-N 1 2 240.257 2.060 20 30 BEEDLO C=CCCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125704206 386875622 /nfs/dbraw/zinc/87/56/22/386875622.db2.gz KDVYRRQCBMUACP-CHWSQXEVSA-N 1 2 247.342 2.259 20 30 BEEDLO CCC1(C)C[NH+](C[C@@H](C#N)CCC#N)C1 ZINC000359514906 387115135 /nfs/dbraw/zinc/11/51/35/387115135.db2.gz YFPONRDHMARTRO-LLVKDONJSA-N 1 2 205.305 2.162 20 30 BEEDLO CC[C@@H]1CN(c2cc(C)[nH+]cc2C#N)CCCO1 ZINC000399466487 387123072 /nfs/dbraw/zinc/12/30/72/387123072.db2.gz XHPXAEZDRLCDDC-CYBMUJFWSA-N 1 2 245.326 2.267 20 30 BEEDLO C[C@]1(F)CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000296082360 387127480 /nfs/dbraw/zinc/12/74/80/387127480.db2.gz QQRFSZCTWSUQNS-LBPRGKRZSA-N 1 2 222.263 2.475 20 30 BEEDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000296082360 387127485 /nfs/dbraw/zinc/12/74/85/387127485.db2.gz QQRFSZCTWSUQNS-LBPRGKRZSA-N 1 2 222.263 2.475 20 30 BEEDLO CC#CCSc1[nH+]cc2ccccn21 ZINC000097599383 387249660 /nfs/dbraw/zinc/24/96/60/387249660.db2.gz ITPQETHBSJQQIF-UHFFFAOYSA-N 1 2 202.282 2.450 20 30 BEEDLO CC(C)n1cc([C@H](C)[NH2+]CCC#N)cn1 ZINC000572235752 387283612 /nfs/dbraw/zinc/28/36/12/387283612.db2.gz HSZDWPBWAZSBLB-JTQLQIEISA-N 1 2 206.293 2.028 20 30 BEEDLO CCOC1(C)C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000399977405 387384514 /nfs/dbraw/zinc/38/45/14/387384514.db2.gz VALUUBBNDOQPBH-UHFFFAOYSA-N 1 2 230.311 2.169 20 30 BEEDLO COc1cccc(C[NH2+]CC(C)(C)C#N)c1OC ZINC000168926065 387370286 /nfs/dbraw/zinc/37/02/86/387370286.db2.gz QPZKVUZZQKFZHB-UHFFFAOYSA-N 1 2 248.326 2.343 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000515354490 387370914 /nfs/dbraw/zinc/37/09/14/387370914.db2.gz AZRPCJJWUCIOPO-NSHDSACASA-N 1 2 249.289 2.046 20 30 BEEDLO C=CC[C@H](CC)Nc1nc(N)c2ccccc2[nH+]1 ZINC000515023124 387324583 /nfs/dbraw/zinc/32/45/83/387324583.db2.gz ALGSDNMQJMEUEW-JTQLQIEISA-N 1 2 242.326 2.231 20 30 BEEDLO C=C1CC[NH+](Cc2nnc(C)n2CCC)CC1 ZINC000270700575 387433780 /nfs/dbraw/zinc/43/37/80/387433780.db2.gz FHKUUKXLXHHQIF-UHFFFAOYSA-N 1 2 234.347 2.149 20 30 BEEDLO C=CC[C@@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000273289734 387455695 /nfs/dbraw/zinc/45/56/95/387455695.db2.gz KHGYBZKNVCTDBS-NSHDSACASA-N 1 2 247.342 2.013 20 30 BEEDLO C=C(Cl)C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000264023261 387389043 /nfs/dbraw/zinc/38/90/43/387389043.db2.gz MWTXPJDZVSRTSF-LBPRGKRZSA-N 1 2 225.719 2.404 20 30 BEEDLO C=C(Cl)C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000264023261 387389050 /nfs/dbraw/zinc/38/90/50/387389050.db2.gz MWTXPJDZVSRTSF-LBPRGKRZSA-N 1 2 225.719 2.404 20 30 BEEDLO C=C1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000264422740 387391822 /nfs/dbraw/zinc/39/18/22/387391822.db2.gz AJZXJTVLBWJLNE-UHFFFAOYSA-N 1 2 230.311 2.277 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cccnc1Cl ZINC000266908056 387408076 /nfs/dbraw/zinc/40/80/76/387408076.db2.gz IDCHTWGFYFOPHQ-UHFFFAOYSA-N 1 2 208.692 2.190 20 30 BEEDLO C#CC[N@H+](CC)Cc1cccnc1Cl ZINC000266908056 387408078 /nfs/dbraw/zinc/40/80/78/387408078.db2.gz IDCHTWGFYFOPHQ-UHFFFAOYSA-N 1 2 208.692 2.190 20 30 BEEDLO CC[C@H]1CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000292345457 387496863 /nfs/dbraw/zinc/49/68/63/387496863.db2.gz HARJPWMYFCGGDY-JTQLQIEISA-N 1 2 249.339 2.043 20 30 BEEDLO CC[C@H]1CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000292345457 387496867 /nfs/dbraw/zinc/49/68/67/387496867.db2.gz HARJPWMYFCGGDY-JTQLQIEISA-N 1 2 249.339 2.043 20 30 BEEDLO C#CCC(C)(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000274307378 387472338 /nfs/dbraw/zinc/47/23/38/387472338.db2.gz HCAYHXWATOIIPL-UHFFFAOYSA-N 1 2 216.284 2.378 20 30 BEEDLO CC[C@H](C[N@H+](CC#N)C1CCCC1)OC ZINC000397107076 387542286 /nfs/dbraw/zinc/54/22/86/387542286.db2.gz OYRBVGWRVUAIOB-GFCCVEGCSA-N 1 2 210.321 2.180 20 30 BEEDLO CC[C@H](C[N@@H+](CC#N)C1CCCC1)OC ZINC000397107076 387542289 /nfs/dbraw/zinc/54/22/89/387542289.db2.gz OYRBVGWRVUAIOB-GFCCVEGCSA-N 1 2 210.321 2.180 20 30 BEEDLO Cc1cc(N(C)CC2CCC2)c(C#N)c[nH+]1 ZINC000399547581 387553233 /nfs/dbraw/zinc/55/32/33/387553233.db2.gz CCCMQGZHLNVCQT-UHFFFAOYSA-N 1 2 215.300 2.498 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1ncnn1C(C)C ZINC000279840608 387570270 /nfs/dbraw/zinc/57/02/70/387570270.db2.gz AJITUZKWXUHFTA-UHFFFAOYSA-N 1 2 222.336 2.257 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1ncnn1C(C)C ZINC000279840608 387570274 /nfs/dbraw/zinc/57/02/74/387570274.db2.gz AJITUZKWXUHFTA-UHFFFAOYSA-N 1 2 222.336 2.257 20 30 BEEDLO CC(C)c1ncc2c(n1)CC[N@@H+](CCCC#N)C2 ZINC000527622703 387640077 /nfs/dbraw/zinc/64/00/77/387640077.db2.gz WSZBSSLGWUJXTF-UHFFFAOYSA-N 1 2 244.342 2.262 20 30 BEEDLO CC(C)c1ncc2c(n1)CC[N@H+](CCCC#N)C2 ZINC000527622703 387640079 /nfs/dbraw/zinc/64/00/79/387640079.db2.gz WSZBSSLGWUJXTF-UHFFFAOYSA-N 1 2 244.342 2.262 20 30 BEEDLO CC#CCC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000376952715 387679928 /nfs/dbraw/zinc/67/99/28/387679928.db2.gz AWVBYLXFHYDMPI-LBPRGKRZSA-N 1 2 233.315 2.318 20 30 BEEDLO CC#CCC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000376952715 387679933 /nfs/dbraw/zinc/67/99/33/387679933.db2.gz AWVBYLXFHYDMPI-LBPRGKRZSA-N 1 2 233.315 2.318 20 30 BEEDLO COC[C@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399484022 387708113 /nfs/dbraw/zinc/70/81/13/387708113.db2.gz CXSDIONMZCJHFI-LBPRGKRZSA-N 1 2 245.326 2.125 20 30 BEEDLO Cc1noc(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000038034476 387738822 /nfs/dbraw/zinc/73/88/22/387738822.db2.gz PKMIKHJCBSPUML-SECBINFHSA-N 1 2 242.282 2.101 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000171502184 387828828 /nfs/dbraw/zinc/82/88/28/387828828.db2.gz OJQJLMHBWFVSCO-UHFFFAOYSA-N 1 2 247.264 2.453 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000171502184 387828832 /nfs/dbraw/zinc/82/88/32/387828832.db2.gz OJQJLMHBWFVSCO-UHFFFAOYSA-N 1 2 247.264 2.453 20 30 BEEDLO CC#CCCCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000442800385 387843369 /nfs/dbraw/zinc/84/33/69/387843369.db2.gz MAHFNVSQWPELQX-LLVKDONJSA-N 1 2 233.315 2.171 20 30 BEEDLO CC#CCCCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000442800387 387844126 /nfs/dbraw/zinc/84/41/26/387844126.db2.gz MAHFNVSQWPELQX-NSHDSACASA-N 1 2 233.315 2.171 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000156023268 387916981 /nfs/dbraw/zinc/91/69/81/387916981.db2.gz UDRFWOGBRCGXKV-NWDGAFQWSA-N 1 2 230.311 2.167 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000156023268 387916986 /nfs/dbraw/zinc/91/69/86/387916986.db2.gz UDRFWOGBRCGXKV-NWDGAFQWSA-N 1 2 230.311 2.167 20 30 BEEDLO CCC[N@H+](CC#N)CC1(O)CCC(C)CC1 ZINC000156124088 387921073 /nfs/dbraw/zinc/92/10/73/387921073.db2.gz MSITWDDEDWVIJE-UHFFFAOYSA-N 1 2 224.348 2.163 20 30 BEEDLO CCC[N@@H+](CC#N)CC1(O)CCC(C)CC1 ZINC000156124088 387921076 /nfs/dbraw/zinc/92/10/76/387921076.db2.gz MSITWDDEDWVIJE-UHFFFAOYSA-N 1 2 224.348 2.163 20 30 BEEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccsc2)nn1 ZINC000424295131 387956137 /nfs/dbraw/zinc/95/61/37/387956137.db2.gz MGPYWVTUUSEVPQ-SNVBAGLBSA-N 1 2 248.355 2.376 20 30 BEEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccno1 ZINC000533289789 388043932 /nfs/dbraw/zinc/04/39/32/388043932.db2.gz CUCFGWSMRJMKIH-UHFFFAOYSA-N 1 2 221.304 2.436 20 30 BEEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccno1 ZINC000533289789 388043937 /nfs/dbraw/zinc/04/39/37/388043937.db2.gz CUCFGWSMRJMKIH-UHFFFAOYSA-N 1 2 221.304 2.436 20 30 BEEDLO COCC[N@H+](CC#N)C[C@H]1C(C)=CCC[C@H]1C ZINC000453594014 388089125 /nfs/dbraw/zinc/08/91/25/388089125.db2.gz DJBXFGNMAULLRL-KGLIPLIRSA-N 1 2 236.359 2.451 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@H]1C(C)=CCC[C@H]1C ZINC000453594014 388089128 /nfs/dbraw/zinc/08/91/28/388089128.db2.gz DJBXFGNMAULLRL-KGLIPLIRSA-N 1 2 236.359 2.451 20 30 BEEDLO C=C(C)CCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455328156 388156226 /nfs/dbraw/zinc/15/62/26/388156226.db2.gz QVXKNHHVCZSVNY-QWRGUYRKSA-N 1 2 248.330 2.154 20 30 BEEDLO CCCN(CC#N)Cc1[nH+]ccn1C(C)C ZINC000195515080 388165130 /nfs/dbraw/zinc/16/51/30/388165130.db2.gz QKBNTFSGYZTAHB-UHFFFAOYSA-N 1 2 220.320 2.200 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ccncc1F ZINC000449002447 388126753 /nfs/dbraw/zinc/12/67/53/388126753.db2.gz LDEUGASZEAGWFZ-UHFFFAOYSA-N 1 2 206.264 2.395 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000490715103 388249765 /nfs/dbraw/zinc/24/97/65/388249765.db2.gz UFPBTXAXSVJKEG-UHFFFAOYSA-N 1 2 242.278 2.053 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000490715103 388249766 /nfs/dbraw/zinc/24/97/66/388249766.db2.gz UFPBTXAXSVJKEG-UHFFFAOYSA-N 1 2 242.278 2.053 20 30 BEEDLO C=CC(C)(C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456332440 388195645 /nfs/dbraw/zinc/19/56/45/388195645.db2.gz HXNCZUSIZNRNEG-JTQLQIEISA-N 1 2 235.331 2.292 20 30 BEEDLO C=CC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489167775 388204967 /nfs/dbraw/zinc/20/49/67/388204967.db2.gz LCYZCYNMJNPOLZ-UHFFFAOYSA-N 1 2 207.248 2.206 20 30 BEEDLO C=CC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489167775 388204969 /nfs/dbraw/zinc/20/49/69/388204969.db2.gz LCYZCYNMJNPOLZ-UHFFFAOYSA-N 1 2 207.248 2.206 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000489431907 388213779 /nfs/dbraw/zinc/21/37/79/388213779.db2.gz QSMGJBGQXJPPQF-NSHDSACASA-N 1 2 232.331 2.223 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000489431907 388213781 /nfs/dbraw/zinc/21/37/81/388213781.db2.gz QSMGJBGQXJPPQF-NSHDSACASA-N 1 2 232.331 2.223 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000489441301 388214455 /nfs/dbraw/zinc/21/44/55/388214455.db2.gz QYGSNWCWURMQCJ-NSHDSACASA-N 1 2 233.315 2.488 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000489441301 388214457 /nfs/dbraw/zinc/21/44/57/388214457.db2.gz QYGSNWCWURMQCJ-NSHDSACASA-N 1 2 233.315 2.488 20 30 BEEDLO C=CCC[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459444755 388244750 /nfs/dbraw/zinc/24/47/50/388244750.db2.gz ZZXXIIAESQUDQL-UHFFFAOYSA-N 1 2 245.282 2.474 20 30 BEEDLO C=CCC[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459444755 388244751 /nfs/dbraw/zinc/24/47/51/388244751.db2.gz ZZXXIIAESQUDQL-UHFFFAOYSA-N 1 2 245.282 2.474 20 30 BEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000491287359 388282642 /nfs/dbraw/zinc/28/26/42/388282642.db2.gz LYDDORJNUDHJLG-NSHDSACASA-N 1 2 248.301 2.026 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000491287359 388282644 /nfs/dbraw/zinc/28/26/44/388282644.db2.gz LYDDORJNUDHJLG-NSHDSACASA-N 1 2 248.301 2.026 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(F)ccc1F ZINC000491326352 388285525 /nfs/dbraw/zinc/28/55/25/388285525.db2.gz MHKXJYNYSJHJEF-SECBINFHSA-N 1 2 209.239 2.418 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1F ZINC000491326352 388285526 /nfs/dbraw/zinc/28/55/26/388285526.db2.gz MHKXJYNYSJHJEF-SECBINFHSA-N 1 2 209.239 2.418 20 30 BEEDLO C[C@H](O)C[N@H+](CCCC(C)(C)C#N)CC(F)F ZINC000451828301 388299013 /nfs/dbraw/zinc/29/90/13/388299013.db2.gz FJYCWGDVUYZVKR-JTQLQIEISA-N 1 2 248.317 2.264 20 30 BEEDLO C[C@H](O)C[N@@H+](CCCC(C)(C)C#N)CC(F)F ZINC000451828301 388299014 /nfs/dbraw/zinc/29/90/14/388299014.db2.gz FJYCWGDVUYZVKR-JTQLQIEISA-N 1 2 248.317 2.264 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC000491513886 388300088 /nfs/dbraw/zinc/30/00/88/388300088.db2.gz FDQVFQUYWBSYTE-JTQLQIEISA-N 1 2 230.267 2.388 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC000491513886 388300089 /nfs/dbraw/zinc/30/00/89/388300089.db2.gz FDQVFQUYWBSYTE-JTQLQIEISA-N 1 2 230.267 2.388 20 30 BEEDLO C#C[C@H](CC)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000491638315 388307443 /nfs/dbraw/zinc/30/74/43/388307443.db2.gz XGRLBFCHBGLRHC-LLVKDONJSA-N 1 2 231.299 2.232 20 30 BEEDLO C#CCN(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491664911 388309530 /nfs/dbraw/zinc/30/95/30/388309530.db2.gz ULCAVVWXRWYQAN-UHFFFAOYSA-N 1 2 231.299 2.104 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(F)cc1 ZINC000491672671 388309809 /nfs/dbraw/zinc/30/98/09/388309809.db2.gz PWWSBJDCVTYJQU-CQSZACIVSA-N 1 2 243.285 2.023 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000491711323 388313755 /nfs/dbraw/zinc/31/37/55/388313755.db2.gz WCGDEMJBPYXTLN-NWDGAFQWSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000491711323 388313756 /nfs/dbraw/zinc/31/37/56/388313756.db2.gz WCGDEMJBPYXTLN-NWDGAFQWSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000491711328 388313770 /nfs/dbraw/zinc/31/37/70/388313770.db2.gz WCGDEMJBPYXTLN-VXGBXAGGSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000491711328 388313771 /nfs/dbraw/zinc/31/37/71/388313771.db2.gz WCGDEMJBPYXTLN-VXGBXAGGSA-N 1 2 243.297 2.146 20 30 BEEDLO C#CC[N@@H+](C)Cc1nc2cc(F)ccc2o1 ZINC000491747494 388317299 /nfs/dbraw/zinc/31/72/99/388317299.db2.gz RPRHNURSZJGCIY-UHFFFAOYSA-N 1 2 218.231 2.032 20 30 BEEDLO C#CC[N@H+](C)Cc1nc2cc(F)ccc2o1 ZINC000491747494 388317300 /nfs/dbraw/zinc/31/73/00/388317300.db2.gz RPRHNURSZJGCIY-UHFFFAOYSA-N 1 2 218.231 2.032 20 30 BEEDLO C#CC[N@@H+](C)Cc1cnc(-c2ccccc2)nc1 ZINC000491780377 388320467 /nfs/dbraw/zinc/32/04/67/388320467.db2.gz IMYAMEGRKJKDNB-UHFFFAOYSA-N 1 2 237.306 2.209 20 30 BEEDLO C#CC[N@H+](C)Cc1cnc(-c2ccccc2)nc1 ZINC000491780377 388320468 /nfs/dbraw/zinc/32/04/68/388320468.db2.gz IMYAMEGRKJKDNB-UHFFFAOYSA-N 1 2 237.306 2.209 20 30 BEEDLO C#CC[N@@H+](Cc1ccc(OC)cc1F)C1CC1 ZINC000491806568 388322062 /nfs/dbraw/zinc/32/20/62/388322062.db2.gz RHPHWPMZKFFOGW-UHFFFAOYSA-N 1 2 233.286 2.432 20 30 BEEDLO C#CC[N@H+](Cc1ccc(OC)cc1F)C1CC1 ZINC000491806568 388322063 /nfs/dbraw/zinc/32/20/63/388322063.db2.gz RHPHWPMZKFFOGW-UHFFFAOYSA-N 1 2 233.286 2.432 20 30 BEEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)OCC ZINC000491812301 388322997 /nfs/dbraw/zinc/32/29/97/388322997.db2.gz NNTOZJQMYRVOJG-ZDUSSCGKSA-N 1 2 245.322 2.073 20 30 BEEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)OCC ZINC000491812301 388322998 /nfs/dbraw/zinc/32/29/98/388322998.db2.gz NNTOZJQMYRVOJG-ZDUSSCGKSA-N 1 2 245.322 2.073 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)[C@@H](C)C(=O)OCCCC ZINC000491125367 388270944 /nfs/dbraw/zinc/27/09/44/388270944.db2.gz DOIUWBDTRJJGTJ-NSHDSACASA-N 1 2 225.332 2.062 20 30 BEEDLO C#CC(C)(C)[N@H+](C)[C@@H](C)C(=O)OCCCC ZINC000491125367 388270945 /nfs/dbraw/zinc/27/09/45/388270945.db2.gz DOIUWBDTRJJGTJ-NSHDSACASA-N 1 2 225.332 2.062 20 30 BEEDLO C#CC[N@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000491180108 388275309 /nfs/dbraw/zinc/27/53/09/388275309.db2.gz JVMZFTFSFJZLOS-UHFFFAOYSA-N 1 2 224.307 2.426 20 30 BEEDLO C#CC[N@@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000491180108 388275310 /nfs/dbraw/zinc/27/53/10/388275310.db2.gz JVMZFTFSFJZLOS-UHFFFAOYSA-N 1 2 224.307 2.426 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(Cl)cn1 ZINC000491193322 388276419 /nfs/dbraw/zinc/27/64/19/388276419.db2.gz XXOOZFPPQBKKFK-UHFFFAOYSA-N 1 2 232.714 2.194 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(Cl)cn1 ZINC000491193322 388276422 /nfs/dbraw/zinc/27/64/22/388276422.db2.gz XXOOZFPPQBKKFK-UHFFFAOYSA-N 1 2 232.714 2.194 20 30 BEEDLO CC(C)c1noc([C@@H](C)[NH+]2CCC(C#N)CC2)n1 ZINC000057908139 388369407 /nfs/dbraw/zinc/36/94/07/388369407.db2.gz RUNRVNFYSPSQIM-SNVBAGLBSA-N 1 2 248.330 2.490 20 30 BEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000515354489 256742555 /nfs/dbraw/zinc/74/25/55/256742555.db2.gz AZRPCJJWUCIOPO-LLVKDONJSA-N 1 2 249.289 2.046 20 30 BEEDLO COCC[N@H+](CC#N)C[C@@H](C)CC(C)C ZINC000316966695 388424388 /nfs/dbraw/zinc/42/43/88/388424388.db2.gz HGICPYIKMXUYJY-LBPRGKRZSA-N 1 2 212.337 2.141 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@@H](C)CC(C)C ZINC000316966695 388424391 /nfs/dbraw/zinc/42/43/91/388424391.db2.gz HGICPYIKMXUYJY-LBPRGKRZSA-N 1 2 212.337 2.141 20 30 BEEDLO CC#CC[N@H+](C)Cc1ncccc1Cl ZINC000528514037 388539960 /nfs/dbraw/zinc/53/99/60/388539960.db2.gz JGELNKWROGCNFZ-UHFFFAOYSA-N 1 2 208.692 2.190 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ncccc1Cl ZINC000528514037 388539963 /nfs/dbraw/zinc/53/99/63/388539963.db2.gz JGELNKWROGCNFZ-UHFFFAOYSA-N 1 2 208.692 2.190 20 30 BEEDLO C=CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC000516875301 256804206 /nfs/dbraw/zinc/80/42/06/256804206.db2.gz LDLFTSGFXOZPFW-UHFFFAOYSA-N 1 2 235.331 2.136 20 30 BEEDLO Cc1ccncc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000355579589 388604030 /nfs/dbraw/zinc/60/40/30/388604030.db2.gz FSLQGOWVOPKODC-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1ccncc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000355579589 388604035 /nfs/dbraw/zinc/60/40/35/388604035.db2.gz FSLQGOWVOPKODC-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C#CC[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000192219143 388676973 /nfs/dbraw/zinc/67/69/73/388676973.db2.gz HTMNQXHKEGJURH-UHFFFAOYSA-N 1 2 226.279 2.407 20 30 BEEDLO C#CC[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000192219143 388676975 /nfs/dbraw/zinc/67/69/75/388676975.db2.gz HTMNQXHKEGJURH-UHFFFAOYSA-N 1 2 226.279 2.407 20 30 BEEDLO Cc1c[nH+]cc(NCc2nc(C#N)cs2)c1 ZINC000309719195 388664429 /nfs/dbraw/zinc/66/44/29/388664429.db2.gz VIJMTSSKTGUFLD-UHFFFAOYSA-N 1 2 230.296 2.330 20 30 BEEDLO C=C(CC)C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000539103193 388747767 /nfs/dbraw/zinc/74/77/67/388747767.db2.gz KISUPZNCZRIOKF-JTQLQIEISA-N 1 2 207.277 2.173 20 30 BEEDLO C=C(CC)C[N@H+]1CCC[C@H]1c1ncon1 ZINC000539103193 388747769 /nfs/dbraw/zinc/74/77/69/388747769.db2.gz KISUPZNCZRIOKF-JTQLQIEISA-N 1 2 207.277 2.173 20 30 BEEDLO N#Cc1csc(C[NH2+]Cc2ncccc2F)c1 ZINC000126405799 388694953 /nfs/dbraw/zinc/69/49/53/388694953.db2.gz SAORGRXOCBXYJB-UHFFFAOYSA-N 1 2 247.298 2.444 20 30 BEEDLO Cc1cc(C#N)ccc1OCc1c[nH+]cn1C ZINC000530756960 388715684 /nfs/dbraw/zinc/71/56/84/388715684.db2.gz BIARUOJVYWFTLA-UHFFFAOYSA-N 1 2 227.267 2.179 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(F)c(F)c(F)c1 ZINC000127439555 388723081 /nfs/dbraw/zinc/72/30/81/388723081.db2.gz QCPIOJXAENSZMD-UHFFFAOYSA-N 1 2 237.224 2.172 20 30 BEEDLO CC[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000091929930 388732327 /nfs/dbraw/zinc/73/23/27/388732327.db2.gz TWLHYLKZIYTCGH-JTQLQIEISA-N 1 2 204.273 2.383 20 30 BEEDLO CC[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000091929930 388732329 /nfs/dbraw/zinc/73/23/29/388732329.db2.gz TWLHYLKZIYTCGH-JTQLQIEISA-N 1 2 204.273 2.383 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCO1 ZINC000125590628 388793477 /nfs/dbraw/zinc/79/34/77/388793477.db2.gz ZHCXFTWIQXMCFC-JTQLQIEISA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC000125590628 388793480 /nfs/dbraw/zinc/79/34/80/388793480.db2.gz ZHCXFTWIQXMCFC-JTQLQIEISA-N 1 2 236.340 2.231 20 30 BEEDLO C[C@@H]1OCC[N@H+](Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC000156134720 388788560 /nfs/dbraw/zinc/78/85/60/388788560.db2.gz ITBVALCRUZKNOW-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1OCC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC000156134720 388788564 /nfs/dbraw/zinc/78/85/64/388788564.db2.gz ITBVALCRUZKNOW-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C=CC(C)(C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565719004 388965488 /nfs/dbraw/zinc/96/54/88/388965488.db2.gz HRZULSBFBYJCCA-LLVKDONJSA-N 1 2 235.331 2.163 20 30 BEEDLO C=C(C)CN(CC)C(=O)c1ccc2[nH+]ccn2c1 ZINC000057780095 533503588 /nfs/dbraw/zinc/50/35/88/533503588.db2.gz ZRRBKTXDRHYHFG-UHFFFAOYSA-N 1 2 243.310 2.373 20 30 BEEDLO C[C@@H]1COCC[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000285380463 133563773 /nfs/dbraw/zinc/56/37/73/133563773.db2.gz OPWXBCKVBIZRJO-OUFKSKKLSA-N 1 2 249.310 2.189 20 30 BEEDLO Cc1ccc(Cn2ccc(C#N)c2)c(C)[nH+]1 ZINC000336079575 134074030 /nfs/dbraw/zinc/07/40/30/134074030.db2.gz MGQNHZZGHOPPTL-UHFFFAOYSA-N 1 2 211.268 2.420 20 30 BEEDLO CC(C)[C@H](O)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000336136842 134096353 /nfs/dbraw/zinc/09/63/53/134096353.db2.gz SPCMRDVMQJSFEW-VXGBXAGGSA-N 1 2 224.348 2.017 20 30 BEEDLO CC(C)[C@H](O)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000336136842 134096354 /nfs/dbraw/zinc/09/63/54/134096354.db2.gz SPCMRDVMQJSFEW-VXGBXAGGSA-N 1 2 224.348 2.017 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncc(C)cn1 ZINC000336346621 134144340 /nfs/dbraw/zinc/14/43/40/134144340.db2.gz FBHVUAQMQPWQBJ-GFCCVEGCSA-N 1 2 217.316 2.326 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncc(C)cn1 ZINC000336346621 134144341 /nfs/dbraw/zinc/14/43/41/134144341.db2.gz FBHVUAQMQPWQBJ-GFCCVEGCSA-N 1 2 217.316 2.326 20 30 BEEDLO Cc1c[nH]c(-c2ccccc2NC(=O)CC#N)[nH+]1 ZINC000336347522 134144378 /nfs/dbraw/zinc/14/43/78/134144378.db2.gz ARTZKVNUKXAVHF-UHFFFAOYSA-N 1 2 240.266 2.237 20 30 BEEDLO C=CCO[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000302142992 134157552 /nfs/dbraw/zinc/15/75/52/134157552.db2.gz JYLJMLPZCSPHHU-CYBMUJFWSA-N 1 2 247.342 2.183 20 30 BEEDLO N#CCSCCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353169931 134162434 /nfs/dbraw/zinc/16/24/34/134162434.db2.gz KKQMBDVVJIXKOU-SECBINFHSA-N 1 2 234.315 2.363 20 30 BEEDLO N#CCSCCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353169931 134162435 /nfs/dbraw/zinc/16/24/35/134162435.db2.gz KKQMBDVVJIXKOU-SECBINFHSA-N 1 2 234.315 2.363 20 30 BEEDLO COc1cccc(C[N@H+](C)CC(C)(C)C#N)n1 ZINC000354019173 134166254 /nfs/dbraw/zinc/16/62/54/134166254.db2.gz VBJNFWQYYDRILU-UHFFFAOYSA-N 1 2 233.315 2.072 20 30 BEEDLO COc1cccc(C[N@@H+](C)CC(C)(C)C#N)n1 ZINC000354019173 134166255 /nfs/dbraw/zinc/16/62/55/134166255.db2.gz VBJNFWQYYDRILU-UHFFFAOYSA-N 1 2 233.315 2.072 20 30 BEEDLO CC(C)n1nccc1C[N@H+](C)CC(C)(C)C#N ZINC000354039055 134166576 /nfs/dbraw/zinc/16/65/76/134166576.db2.gz LYNDHIQEBMCVBB-UHFFFAOYSA-N 1 2 234.347 2.446 20 30 BEEDLO CC(C)n1nccc1C[N@@H+](C)CC(C)(C)C#N ZINC000354039055 134166577 /nfs/dbraw/zinc/16/65/77/134166577.db2.gz LYNDHIQEBMCVBB-UHFFFAOYSA-N 1 2 234.347 2.446 20 30 BEEDLO C=C(C)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000368187922 134217630 /nfs/dbraw/zinc/21/76/30/134217630.db2.gz JQTMVJNZBJGCGO-AWEZNQCLSA-N 1 2 244.338 2.044 20 30 BEEDLO C=C(C)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000368187922 134217631 /nfs/dbraw/zinc/21/76/31/134217631.db2.gz JQTMVJNZBJGCGO-AWEZNQCLSA-N 1 2 244.338 2.044 20 30 BEEDLO CC(C)C[C@H](C)C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369192708 134222040 /nfs/dbraw/zinc/22/20/40/134222040.db2.gz HRQNAZRVMJEROV-ZFWWWQNUSA-N 1 2 249.402 2.341 20 30 BEEDLO CC(C)C[C@H](C)C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369192708 134222041 /nfs/dbraw/zinc/22/20/41/134222041.db2.gz HRQNAZRVMJEROV-ZFWWWQNUSA-N 1 2 249.402 2.341 20 30 BEEDLO C=CC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000180044828 134325948 /nfs/dbraw/zinc/32/59/48/134325948.db2.gz WNCSVFQXOUZSBM-SNVBAGLBSA-N 1 2 213.321 2.128 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nnc(C2CCC2)n1C ZINC000181064964 134333197 /nfs/dbraw/zinc/33/31/97/134333197.db2.gz ZFQFEKSKCIYGSW-UHFFFAOYSA-N 1 2 248.374 2.481 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nnc(C2CCC2)n1C ZINC000181064964 134333198 /nfs/dbraw/zinc/33/31/98/134333198.db2.gz ZFQFEKSKCIYGSW-UHFFFAOYSA-N 1 2 248.374 2.481 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1csc(NC(C)=O)n1 ZINC000181250645 134334646 /nfs/dbraw/zinc/33/46/46/134334646.db2.gz CSZOEYDGICSSHH-UHFFFAOYSA-N 1 2 239.344 2.109 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1csc(NC(C)=O)n1 ZINC000181250645 134334647 /nfs/dbraw/zinc/33/46/47/134334647.db2.gz CSZOEYDGICSSHH-UHFFFAOYSA-N 1 2 239.344 2.109 20 30 BEEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(CC)no1 ZINC000181251404 134334709 /nfs/dbraw/zinc/33/47/09/134334709.db2.gz WNCOXMDHJLCFPY-VIFPVBQESA-N 1 2 209.293 2.201 20 30 BEEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nc(CC)no1 ZINC000181251404 134334710 /nfs/dbraw/zinc/33/47/10/134334710.db2.gz WNCOXMDHJLCFPY-VIFPVBQESA-N 1 2 209.293 2.201 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000181315425 134335956 /nfs/dbraw/zinc/33/59/56/134335956.db2.gz CFPFCKPODHFUEY-UHFFFAOYSA-N 1 2 233.271 2.338 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000181315425 134335957 /nfs/dbraw/zinc/33/59/57/134335957.db2.gz CFPFCKPODHFUEY-UHFFFAOYSA-N 1 2 233.271 2.338 20 30 BEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000223127861 134337157 /nfs/dbraw/zinc/33/71/57/134337157.db2.gz OUWQQHFMVGEIAI-GXFFZTMASA-N 1 2 234.274 2.313 20 30 BEEDLO CCc1ncc(C[NH2+][C@H](CC)CC#N)s1 ZINC000054183948 134387449 /nfs/dbraw/zinc/38/74/49/134387449.db2.gz NILGVPONMVCENE-SECBINFHSA-N 1 2 223.345 2.487 20 30 BEEDLO Cc1nc(C[NH+]2CCC(C#N)CC2)oc1C ZINC000057872435 134390864 /nfs/dbraw/zinc/39/08/64/134390864.db2.gz SESYKMYRGOJSRK-UHFFFAOYSA-N 1 2 219.288 2.027 20 30 BEEDLO C[C@@H](CC#N)N(C)Cc1cn2ccccc2[nH+]1 ZINC000063095668 134395752 /nfs/dbraw/zinc/39/57/52/134395752.db2.gz AUVSPRAYWKLPEB-NSHDSACASA-N 1 2 228.299 2.068 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000067407193 134397418 /nfs/dbraw/zinc/39/74/18/134397418.db2.gz UGPANQBDUHCDHP-GWCFXTLKSA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000067407193 134397419 /nfs/dbraw/zinc/39/74/19/134397419.db2.gz UGPANQBDUHCDHP-GWCFXTLKSA-N 1 2 236.290 2.093 20 30 BEEDLO Cc1c[nH+]ccc1NC(=O)C1(C#N)CCCC1 ZINC000107038737 134493503 /nfs/dbraw/zinc/49/35/03/134493503.db2.gz QVTHMIQZBQIRLL-UHFFFAOYSA-N 1 2 229.283 2.413 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)CCC(=O)c1ccccc1 ZINC000165507921 134866181 /nfs/dbraw/zinc/86/61/81/134866181.db2.gz BCPAHIJAKYTSSS-LBPRGKRZSA-N 1 2 230.311 2.493 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)CCC(=O)c1ccccc1 ZINC000165507921 134866183 /nfs/dbraw/zinc/86/61/83/134866183.db2.gz BCPAHIJAKYTSSS-LBPRGKRZSA-N 1 2 230.311 2.493 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229749281 135017224 /nfs/dbraw/zinc/01/72/24/135017224.db2.gz VAPDIVSGZZETMI-SNVBAGLBSA-N 1 2 231.274 2.289 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229749281 135017226 /nfs/dbraw/zinc/01/72/26/135017226.db2.gz VAPDIVSGZZETMI-SNVBAGLBSA-N 1 2 231.274 2.289 20 30 BEEDLO COc1cc[nH+]c(CN(C[C@@H](C)C#N)C2CC2)c1 ZINC000338353870 135035559 /nfs/dbraw/zinc/03/55/59/135035559.db2.gz OIVUHYHHMQFOLE-NSHDSACASA-N 1 2 245.326 2.214 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1ccncc1)C1CC1 ZINC000338379126 135036706 /nfs/dbraw/zinc/03/67/06/135036706.db2.gz JHSJNKCHNIFFRX-NSHDSACASA-N 1 2 215.300 2.206 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000338379126 135036709 /nfs/dbraw/zinc/03/67/09/135036709.db2.gz JHSJNKCHNIFFRX-NSHDSACASA-N 1 2 215.300 2.206 20 30 BEEDLO CC#CC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339435602 135074331 /nfs/dbraw/zinc/07/43/31/135074331.db2.gz AWABZGZFUOAELE-LLVKDONJSA-N 1 2 249.276 2.442 20 30 BEEDLO CC#CC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339435602 135074333 /nfs/dbraw/zinc/07/43/33/135074333.db2.gz AWABZGZFUOAELE-LLVKDONJSA-N 1 2 249.276 2.442 20 30 BEEDLO COc1ccc(C[N@H+](C)CCC#N)cc1C ZINC000258955782 135104508 /nfs/dbraw/zinc/10/45/08/135104508.db2.gz SDFDFFFMZFFJAY-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO COc1ccc(C[N@@H+](C)CCC#N)cc1C ZINC000258955782 135104509 /nfs/dbraw/zinc/10/45/09/135104509.db2.gz SDFDFFFMZFFJAY-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000259831315 135105042 /nfs/dbraw/zinc/10/50/42/135105042.db2.gz DWPYECFUNDXNGZ-MNOVXSKESA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000259831315 135105044 /nfs/dbraw/zinc/10/50/44/135105044.db2.gz DWPYECFUNDXNGZ-MNOVXSKESA-N 1 2 203.289 2.234 20 30 BEEDLO CC(=O)Nc1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000263785239 135127474 /nfs/dbraw/zinc/12/74/74/135127474.db2.gz ZPXGDAABWNDUIJ-NSHDSACASA-N 1 2 245.326 2.236 20 30 BEEDLO CC(=O)Nc1cccc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000263785239 135127476 /nfs/dbraw/zinc/12/74/76/135127476.db2.gz ZPXGDAABWNDUIJ-NSHDSACASA-N 1 2 245.326 2.236 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/C2CCC2)c1 ZINC000264418434 135137974 /nfs/dbraw/zinc/13/79/74/135137974.db2.gz XLDJYJQUCDPJQF-MDWZMJQESA-N 1 2 205.257 2.372 20 30 BEEDLO Oc1ccccc1/C=[NH+]/[C@H]1CCSC1 ZINC000266353355 135148358 /nfs/dbraw/zinc/14/83/58/135148358.db2.gz QAAOQSDNHPSDCW-QVIVLVACSA-N 1 2 207.298 2.317 20 30 BEEDLO N#CC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000267992786 135157499 /nfs/dbraw/zinc/15/74/99/135157499.db2.gz RTOXTAGCCWNKGO-UHFFFAOYSA-N 1 2 238.294 2.370 20 30 BEEDLO CC(C)n1cc[nH+]c1CN(C)[C@H](C)CC#N ZINC000268316442 135159037 /nfs/dbraw/zinc/15/90/37/135159037.db2.gz ROWPLIOVADFIHI-LLVKDONJSA-N 1 2 220.320 2.198 20 30 BEEDLO C[C@@H](/[NH+]=C/c1cccc(O)c1O)C1CCOCC1 ZINC000268585046 135160372 /nfs/dbraw/zinc/16/03/72/135160372.db2.gz YTEPJJCAILWEIA-KXUVPBGPSA-N 1 2 249.310 2.332 20 30 BEEDLO Cc1ccncc1C[N@@H+](C)[C@H](C)CC#N ZINC000269638391 135166292 /nfs/dbraw/zinc/16/62/92/135166292.db2.gz RNGJZVVSMUJTFO-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1ccncc1C[N@H+](C)[C@H](C)CC#N ZINC000269638391 135166293 /nfs/dbraw/zinc/16/62/93/135166293.db2.gz RNGJZVVSMUJTFO-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1csc([C@H]([NH2+]CCC#N)C2CC2)n1 ZINC000298830684 135201262 /nfs/dbraw/zinc/20/12/62/135201262.db2.gz HCXOKOXCTYCXDV-SNVBAGLBSA-N 1 2 221.329 2.406 20 30 BEEDLO COC(=O)c1cccc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000299149381 135202018 /nfs/dbraw/zinc/20/20/18/135202018.db2.gz DUDPGMGBMWIRGC-LLVKDONJSA-N 1 2 246.310 2.065 20 30 BEEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000299149381 135202019 /nfs/dbraw/zinc/20/20/19/135202019.db2.gz DUDPGMGBMWIRGC-LLVKDONJSA-N 1 2 246.310 2.065 20 30 BEEDLO C=CCCOCCNC(=O)Nc1cc[nH+]cc1C ZINC000121913516 135225655 /nfs/dbraw/zinc/22/56/55/135225655.db2.gz XKUYYNXUMPJQFK-UHFFFAOYSA-N 1 2 249.314 2.104 20 30 BEEDLO C#CC[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000045911801 135228067 /nfs/dbraw/zinc/22/80/67/135228067.db2.gz AECHNKRQTKOEIX-UHFFFAOYSA-N 1 2 244.338 2.115 20 30 BEEDLO C#CC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000045911801 135228069 /nfs/dbraw/zinc/22/80/69/135228069.db2.gz AECHNKRQTKOEIX-UHFFFAOYSA-N 1 2 244.338 2.115 20 30 BEEDLO CC#CC[N@H+](CC(F)F)CC1CCC1 ZINC000341765881 135242214 /nfs/dbraw/zinc/24/22/14/135242214.db2.gz WALGLIAWCAAYRD-UHFFFAOYSA-N 1 2 201.260 2.377 20 30 BEEDLO CC#CC[N@@H+](CC(F)F)CC1CCC1 ZINC000341765881 135242216 /nfs/dbraw/zinc/24/22/16/135242216.db2.gz WALGLIAWCAAYRD-UHFFFAOYSA-N 1 2 201.260 2.377 20 30 BEEDLO Cc1c[nH+]ccc1CCNc1cc(C#N)ccn1 ZINC000342802442 135321913 /nfs/dbraw/zinc/32/19/13/135321913.db2.gz MHANZWCFKSXUMY-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO Cc1cnc([C@@H](C)[NH+]2CCC(C#N)CC2)o1 ZINC000334393109 135385332 /nfs/dbraw/zinc/38/53/32/135385332.db2.gz ZGXVZFFEARGPOQ-SNVBAGLBSA-N 1 2 219.288 2.280 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(Cl)n1 ZINC000075682696 135391522 /nfs/dbraw/zinc/39/15/22/135391522.db2.gz YJFTXFDKRKEABF-VIFPVBQESA-N 1 2 223.707 2.326 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(Cl)n1 ZINC000075682696 135391524 /nfs/dbraw/zinc/39/15/24/135391524.db2.gz YJFTXFDKRKEABF-VIFPVBQESA-N 1 2 223.707 2.326 20 30 BEEDLO CSC1(C[NH+]2CC(C)(C#N)C2)CCC1 ZINC000335346806 136066501 /nfs/dbraw/zinc/06/65/01/136066501.db2.gz NQCMPECWOOXDTM-UHFFFAOYSA-N 1 2 210.346 2.118 20 30 BEEDLO CC[C@H]1C[C@H](C[NH+]2CC(C)(C#N)C2)CCO1 ZINC000335358380 136074925 /nfs/dbraw/zinc/07/49/25/136074925.db2.gz OTNQHXNVBJUOLH-NEPJUHHUSA-N 1 2 222.332 2.037 20 30 BEEDLO C[C@H](C#N)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000335384267 136088573 /nfs/dbraw/zinc/08/85/73/136088573.db2.gz LHVRCYSZOBKQQM-SECBINFHSA-N 1 2 240.266 2.175 20 30 BEEDLO N#Cc1c(F)cccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335583996 136101294 /nfs/dbraw/zinc/10/12/94/136101294.db2.gz MWDSEXASPLRAIU-QWRGUYRKSA-N 1 2 248.326 2.387 20 30 BEEDLO N#Cc1c(F)cccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335583996 136101295 /nfs/dbraw/zinc/10/12/95/136101295.db2.gz MWDSEXASPLRAIU-QWRGUYRKSA-N 1 2 248.326 2.387 20 30 BEEDLO C=CC(C)(C)C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001647342539 1172758831 /nfs/dbraw/zinc/75/88/31/1172758831.db2.gz KYERKHPBGMGEAF-UHFFFAOYSA-N 1 2 247.342 2.117 20 30 BEEDLO C#CCC(C)(C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001647824964 1172766735 /nfs/dbraw/zinc/76/67/35/1172766735.db2.gz SZEBRUJGCYEJFI-UHFFFAOYSA-N 1 2 247.342 2.199 20 30 BEEDLO C#CCC(C)(C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001647824964 1172766742 /nfs/dbraw/zinc/76/67/42/1172766742.db2.gz SZEBRUJGCYEJFI-UHFFFAOYSA-N 1 2 247.342 2.199 20 30 BEEDLO CC(=O)Nc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000271130697 397962726 /nfs/dbraw/zinc/96/27/26/397962726.db2.gz OBBOENULYRDXRM-LLVKDONJSA-N 1 2 245.326 2.236 20 30 BEEDLO CC(=O)Nc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000271130697 397962729 /nfs/dbraw/zinc/96/27/29/397962729.db2.gz OBBOENULYRDXRM-LLVKDONJSA-N 1 2 245.326 2.236 20 30 BEEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000617040607 397921965 /nfs/dbraw/zinc/92/19/65/397921965.db2.gz WKXWNHAACNMNLO-OLZOCXBDSA-N 1 2 247.342 2.134 20 30 BEEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000617040609 397922064 /nfs/dbraw/zinc/92/20/64/397922064.db2.gz WKXWNHAACNMNLO-STQMWFEESA-N 1 2 247.342 2.134 20 30 BEEDLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623490 397993118 /nfs/dbraw/zinc/99/31/18/397993118.db2.gz RMQMEOGYTCUMTD-UWVGGRQHSA-N 1 2 236.344 2.225 20 30 BEEDLO C[C@@H](c1csnn1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623490 397993121 /nfs/dbraw/zinc/99/31/21/397993121.db2.gz RMQMEOGYTCUMTD-UWVGGRQHSA-N 1 2 236.344 2.225 20 30 BEEDLO Cc1ccc(F)c(C[NH+]2CC(CC#N)C2)c1 ZINC000597194353 398011480 /nfs/dbraw/zinc/01/14/80/398011480.db2.gz RZBBBRPBHRSOLC-UHFFFAOYSA-N 1 2 218.275 2.480 20 30 BEEDLO C#CC[N@@H+](CCF)Cc1ccc(F)cc1 ZINC000490853920 398028613 /nfs/dbraw/zinc/02/86/13/398028613.db2.gz VWEXDDXJUQNREW-UHFFFAOYSA-N 1 2 209.239 2.230 20 30 BEEDLO C#CC[N@H+](CCF)Cc1ccc(F)cc1 ZINC000490853920 398028617 /nfs/dbraw/zinc/02/86/17/398028617.db2.gz VWEXDDXJUQNREW-UHFFFAOYSA-N 1 2 209.239 2.230 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc(C2CC2)cs1 ZINC000490938576 398029677 /nfs/dbraw/zinc/02/96/77/398029677.db2.gz XWNVDHIAVGIDEG-UHFFFAOYSA-N 1 2 220.341 2.476 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc(C2CC2)cs1 ZINC000490938576 398029683 /nfs/dbraw/zinc/02/96/83/398029683.db2.gz XWNVDHIAVGIDEG-UHFFFAOYSA-N 1 2 220.341 2.476 20 30 BEEDLO COCC#CC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000650192698 397977678 /nfs/dbraw/zinc/97/76/78/397977678.db2.gz PPQLDVMMICFXGK-CQSZACIVSA-N 1 2 245.322 2.456 20 30 BEEDLO COCC#CC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000650192698 397977679 /nfs/dbraw/zinc/97/76/79/397977679.db2.gz PPQLDVMMICFXGK-CQSZACIVSA-N 1 2 245.322 2.456 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1ncc(CC)o1 ZINC000491815361 398072868 /nfs/dbraw/zinc/07/28/68/398072868.db2.gz FJENPAHUJXIOAR-UHFFFAOYSA-N 1 2 206.289 2.081 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1ncc(CC)o1 ZINC000491815361 398072871 /nfs/dbraw/zinc/07/28/71/398072871.db2.gz FJENPAHUJXIOAR-UHFFFAOYSA-N 1 2 206.289 2.081 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001648446782 1172836227 /nfs/dbraw/zinc/83/62/27/1172836227.db2.gz RPHBAORPLQAYJJ-SNVBAGLBSA-N 1 2 223.707 2.018 20 30 BEEDLO C=C(Cl)C[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001648446782 1172836234 /nfs/dbraw/zinc/83/62/34/1172836234.db2.gz RPHBAORPLQAYJJ-SNVBAGLBSA-N 1 2 223.707 2.018 20 30 BEEDLO CC(C)CC[N@H+](CCC#N)Cc1ccnn1C ZINC000093100900 410100133 /nfs/dbraw/zinc/10/01/33/410100133.db2.gz NWIUPAXCVIUJGI-UHFFFAOYSA-N 1 2 234.347 2.182 20 30 BEEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccnn1C ZINC000093100900 410100138 /nfs/dbraw/zinc/10/01/38/410100138.db2.gz NWIUPAXCVIUJGI-UHFFFAOYSA-N 1 2 234.347 2.182 20 30 BEEDLO Cc1n[nH]cc1C[N@@H+](CCC#N)CCC(C)C ZINC000093100951 410100170 /nfs/dbraw/zinc/10/01/70/410100170.db2.gz GFSXPKAUXDQXKD-UHFFFAOYSA-N 1 2 234.347 2.480 20 30 BEEDLO Cc1n[nH]cc1C[N@H+](CCC#N)CCC(C)C ZINC000093100951 410100178 /nfs/dbraw/zinc/10/01/78/410100178.db2.gz GFSXPKAUXDQXKD-UHFFFAOYSA-N 1 2 234.347 2.480 20 30 BEEDLO Cc1nn(C)cc1C[N@@H+](CCC#N)CCC(C)C ZINC000093100785 410102500 /nfs/dbraw/zinc/10/25/00/410102500.db2.gz SDSBFAVTRDOQOX-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO Cc1nn(C)cc1C[N@H+](CCC#N)CCC(C)C ZINC000093100785 410102507 /nfs/dbraw/zinc/10/25/07/410102507.db2.gz SDSBFAVTRDOQOX-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO C#CC[N@@H+](CC)CC(=O)c1c[nH]c2ccccc21 ZINC000266906367 166167846 /nfs/dbraw/zinc/16/78/46/166167846.db2.gz HTKCHXRWNCTRHK-UHFFFAOYSA-N 1 2 240.306 2.306 20 30 BEEDLO C#CC[N@H+](CC)CC(=O)c1c[nH]c2ccccc21 ZINC000266906367 166167847 /nfs/dbraw/zinc/16/78/47/166167847.db2.gz HTKCHXRWNCTRHK-UHFFFAOYSA-N 1 2 240.306 2.306 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc2ccccc2n1C ZINC000266958150 166169614 /nfs/dbraw/zinc/16/96/14/166169614.db2.gz VWWIEOHGFSHWHF-UHFFFAOYSA-N 1 2 227.311 2.028 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc2ccccc2n1C ZINC000266958150 166169615 /nfs/dbraw/zinc/16/96/15/166169615.db2.gz VWWIEOHGFSHWHF-UHFFFAOYSA-N 1 2 227.311 2.028 20 30 BEEDLO C#CC[C@@H]([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000271738614 166205397 /nfs/dbraw/zinc/20/53/97/166205397.db2.gz UWTAMJRNOPQUAO-CYBMUJFWSA-N 1 2 241.294 2.232 20 30 BEEDLO C=CC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000264057566 166323155 /nfs/dbraw/zinc/32/31/55/166323155.db2.gz JRENTUWLCQBPGT-UHFFFAOYSA-N 1 2 233.237 2.063 20 30 BEEDLO C=CC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000264057566 166323158 /nfs/dbraw/zinc/32/31/58/166323158.db2.gz JRENTUWLCQBPGT-UHFFFAOYSA-N 1 2 233.237 2.063 20 30 BEEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)OC(C)(C)C ZINC000082784292 166338185 /nfs/dbraw/zinc/33/81/85/166338185.db2.gz HPVGMIHZULYKPZ-NSHDSACASA-N 1 2 225.332 2.391 20 30 BEEDLO C=CC[N@@H+](Cc1cn(C(C)(C)C)nn1)C1CC1 ZINC000276789742 166348273 /nfs/dbraw/zinc/34/82/73/166348273.db2.gz SKYYHVBLXRNDNP-UHFFFAOYSA-N 1 2 234.347 2.184 20 30 BEEDLO C=CC[N@H+](Cc1cn(C(C)(C)C)nn1)C1CC1 ZINC000276789742 166348275 /nfs/dbraw/zinc/34/82/75/166348275.db2.gz SKYYHVBLXRNDNP-UHFFFAOYSA-N 1 2 234.347 2.184 20 30 BEEDLO C=CC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000157714602 166359682 /nfs/dbraw/zinc/35/96/82/166359682.db2.gz ZYEZDFUBYWSRRE-JTQLQIEISA-N 1 2 209.314 2.307 20 30 BEEDLO C=CC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000157714602 166359685 /nfs/dbraw/zinc/35/96/85/166359685.db2.gz ZYEZDFUBYWSRRE-JTQLQIEISA-N 1 2 209.314 2.307 20 30 BEEDLO C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2C=C)nn1 ZINC000653648059 411155243 /nfs/dbraw/zinc/15/52/43/411155243.db2.gz APOIUOWTUDOLJY-AWEZNQCLSA-N 1 2 246.358 2.395 20 30 BEEDLO C=CCCn1cc(C[N@H+]2CCCC[C@@H]2C=C)nn1 ZINC000653648059 411155246 /nfs/dbraw/zinc/15/52/46/411155246.db2.gz APOIUOWTUDOLJY-AWEZNQCLSA-N 1 2 246.358 2.395 20 30 BEEDLO CC#CC[N@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000339751549 411384319 /nfs/dbraw/zinc/38/43/19/411384319.db2.gz GAHFKFZTTMBKTN-UHFFFAOYSA-N 1 2 249.383 2.197 20 30 BEEDLO CC#CC[N@@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000339751549 411384322 /nfs/dbraw/zinc/38/43/22/411384322.db2.gz GAHFKFZTTMBKTN-UHFFFAOYSA-N 1 2 249.383 2.197 20 30 BEEDLO C[C@@H](C#N)[N@H+](CC1CCC(=O)CC1)C1CC1 ZINC000661555925 411800701 /nfs/dbraw/zinc/80/07/01/411800701.db2.gz CHYRURJHKJPWJI-JTQLQIEISA-N 1 2 220.316 2.122 20 30 BEEDLO C[C@@H](C#N)[N@@H+](CC1CCC(=O)CC1)C1CC1 ZINC000661555925 411800704 /nfs/dbraw/zinc/80/07/04/411800704.db2.gz CHYRURJHKJPWJI-JTQLQIEISA-N 1 2 220.316 2.122 20 30 BEEDLO C=CCOc1ccc2c(c1)[nH+]c(C)n2C ZINC000664046733 411827483 /nfs/dbraw/zinc/82/74/83/411827483.db2.gz NVXWJKSHMVDVIQ-UHFFFAOYSA-N 1 2 202.257 2.447 20 30 BEEDLO C=CCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000664228786 411889329 /nfs/dbraw/zinc/88/93/29/411889329.db2.gz UVDDBGMSWNRFQX-UHFFFAOYSA-N 1 2 218.304 2.065 20 30 BEEDLO C=CCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000664228786 411889333 /nfs/dbraw/zinc/88/93/33/411889333.db2.gz UVDDBGMSWNRFQX-UHFFFAOYSA-N 1 2 218.304 2.065 20 30 BEEDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121116082 171105141 /nfs/dbraw/zinc/10/51/41/171105141.db2.gz LYDURGUTVRTJGI-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121116082 171105145 /nfs/dbraw/zinc/10/51/45/171105145.db2.gz LYDURGUTVRTJGI-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CCn1cc[nH+]c1CNc1ccc(C#N)c(C)n1 ZINC000295059228 172223865 /nfs/dbraw/zinc/22/38/65/172223865.db2.gz VGNFCRMXGYZMNZ-UHFFFAOYSA-N 1 2 241.298 2.090 20 30 BEEDLO CCn1cc[nH+]c1CNc1nccc(C)c1C#N ZINC000295095781 172226221 /nfs/dbraw/zinc/22/62/21/172226221.db2.gz ZWNCSLZQDZASLF-UHFFFAOYSA-N 1 2 241.298 2.090 20 30 BEEDLO COCC1(C/[NH+]=C/c2cccc(O)c2O)CCC1 ZINC000283725906 174094033 /nfs/dbraw/zinc/09/40/33/174094033.db2.gz BSWUXSWDEISHLK-OVCLIPMQSA-N 1 2 249.310 2.333 20 30 BEEDLO C=C(CC)C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000678624728 487632108 /nfs/dbraw/zinc/63/21/08/487632108.db2.gz NDCNSQHFRLXFLG-VIFPVBQESA-N 1 2 223.238 2.216 20 30 BEEDLO C=C(CC)C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000678624728 487632111 /nfs/dbraw/zinc/63/21/11/487632111.db2.gz NDCNSQHFRLXFLG-VIFPVBQESA-N 1 2 223.238 2.216 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000122617441 177261910 /nfs/dbraw/zinc/26/19/10/177261910.db2.gz WAWRDAISPPDCQT-ZJUUUORDSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#N)s1 ZINC000122617441 177261912 /nfs/dbraw/zinc/26/19/12/177261912.db2.gz WAWRDAISPPDCQT-ZJUUUORDSA-N 1 2 236.340 2.229 20 30 BEEDLO C=CCC(C)(C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001652463755 1173086932 /nfs/dbraw/zinc/08/69/32/1173086932.db2.gz MNGVEVUGDXHXPX-UHFFFAOYSA-N 1 2 235.331 2.191 20 30 BEEDLO C=CCC(C)(C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001652463755 1173086934 /nfs/dbraw/zinc/08/69/34/1173086934.db2.gz MNGVEVUGDXHXPX-UHFFFAOYSA-N 1 2 235.331 2.191 20 30 BEEDLO N#Cc1ccc(C[NH2+]CC(F)F)cc1F ZINC000404110432 229372972 /nfs/dbraw/zinc/37/29/72/229372972.db2.gz JGRPQJYBWUHFPZ-UHFFFAOYSA-N 1 2 214.190 2.052 20 30 BEEDLO C=C(C)C[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671714178 487703752 /nfs/dbraw/zinc/70/37/52/487703752.db2.gz OXCSKWJJYCAEHY-DTWKUNHWSA-N 1 2 223.238 2.214 20 30 BEEDLO C=C(C)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671714178 487703756 /nfs/dbraw/zinc/70/37/56/487703756.db2.gz OXCSKWJJYCAEHY-DTWKUNHWSA-N 1 2 223.238 2.214 20 30 BEEDLO Cc1cc(NCCC(C)(F)F)c(C#N)c[nH+]1 ZINC000399418696 267300191 /nfs/dbraw/zinc/30/01/91/267300191.db2.gz DGMOIKQYVXBWOV-UHFFFAOYSA-N 1 2 225.242 2.141 20 30 BEEDLO C=C(C)CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000681403876 487793769 /nfs/dbraw/zinc/79/37/69/487793769.db2.gz MFWNCAPVSAPYHS-SECBINFHSA-N 1 2 223.238 2.216 20 30 BEEDLO C=C(C)CC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000681403876 487793772 /nfs/dbraw/zinc/79/37/72/487793772.db2.gz MFWNCAPVSAPYHS-SECBINFHSA-N 1 2 223.238 2.216 20 30 BEEDLO N#CC1(C[NH2+]Cc2nc(Cl)cs2)CC1 ZINC000877493906 590340584 /nfs/dbraw/zinc/34/05/84/590340584.db2.gz JBCYDGPXMVFULK-UHFFFAOYSA-N 1 2 227.720 2.190 20 30 BEEDLO C#C[C@H](C)[NH2+]Cc1csc(C2CC2)n1 ZINC000308531622 631422040 /nfs/dbraw/zinc/42/20/40/631422040.db2.gz RWNBZIKHANZSKT-QMMMGPOBSA-N 1 2 206.314 2.132 20 30 BEEDLO CC[N@@H+](CC#N)CC/C=C\c1cncc(OC)c1 ZINC000566734473 323012441 /nfs/dbraw/zinc/01/24/41/323012441.db2.gz FOGFYSKDTWHCOH-XQRVVYSFSA-N 1 2 245.326 2.339 20 30 BEEDLO CC[N@H+](CC#N)CC/C=C\c1cncc(OC)c1 ZINC000566734473 323012442 /nfs/dbraw/zinc/01/24/42/323012442.db2.gz FOGFYSKDTWHCOH-XQRVVYSFSA-N 1 2 245.326 2.339 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000562627244 323025756 /nfs/dbraw/zinc/02/57/56/323025756.db2.gz YIPAXVDMPUWQJW-LBPRGKRZSA-N 1 2 240.310 2.122 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cn2ccsc2n1 ZINC000569739944 323039493 /nfs/dbraw/zinc/03/94/93/323039493.db2.gz SQCRZMKLIQPLMT-VIFPVBQESA-N 1 2 234.328 2.178 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000160281937 323075402 /nfs/dbraw/zinc/07/54/02/323075402.db2.gz DUQGIVIAISYOGI-INIZCTEOSA-N 1 2 243.350 2.343 20 30 BEEDLO CC#CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000160281937 323075403 /nfs/dbraw/zinc/07/54/03/323075403.db2.gz DUQGIVIAISYOGI-INIZCTEOSA-N 1 2 243.350 2.343 20 30 BEEDLO N#CC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000112259794 323168251 /nfs/dbraw/zinc/16/82/51/323168251.db2.gz FLHZUUMAKDRLIQ-UHFFFAOYSA-N 1 2 246.339 2.131 20 30 BEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000491792109 324161706 /nfs/dbraw/zinc/16/17/06/324161706.db2.gz DFZQXVIMRNXWIH-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000491792109 324161710 /nfs/dbraw/zinc/16/17/10/324161710.db2.gz DFZQXVIMRNXWIH-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO CCCc1ncc(C[NH2+]C[C@@H](C#N)CCC#N)o1 ZINC000517732749 324176738 /nfs/dbraw/zinc/17/67/38/324176738.db2.gz LGIOXXVHGITXPS-LLVKDONJSA-N 1 2 246.314 2.160 20 30 BEEDLO C=CC[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000529689366 324377594 /nfs/dbraw/zinc/37/75/94/324377594.db2.gz NTNUHAYGIRRCGV-CYBMUJFWSA-N 1 2 247.342 2.088 20 30 BEEDLO N#CCC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000543807024 325115257 /nfs/dbraw/zinc/11/52/57/325115257.db2.gz KAEVUDCEXVZGCS-UHFFFAOYSA-N 1 2 246.314 2.073 20 30 BEEDLO C=CCC(CC=C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552227403 325612050 /nfs/dbraw/zinc/61/20/50/325612050.db2.gz BOQPOJGKLDUMCY-SNVBAGLBSA-N 1 2 233.315 2.355 20 30 BEEDLO CCc1ncc(C[N@H+](CCC#N)C(C)C)cn1 ZINC000567028717 326102925 /nfs/dbraw/zinc/10/29/25/326102925.db2.gz DRQKPFGJDMFDNS-UHFFFAOYSA-N 1 2 232.331 2.163 20 30 BEEDLO CCc1ncc(C[N@@H+](CCC#N)C(C)C)cn1 ZINC000567028717 326102926 /nfs/dbraw/zinc/10/29/26/326102926.db2.gz DRQKPFGJDMFDNS-UHFFFAOYSA-N 1 2 232.331 2.163 20 30 BEEDLO COc1ccc[nH+]c1N[C@H]1CC[C@H](C#N)C1 ZINC000309869285 326173213 /nfs/dbraw/zinc/17/32/13/326173213.db2.gz PXSJGBGHKZZZKP-UWVGGRQHSA-N 1 2 217.272 2.194 20 30 BEEDLO C#CC[N@H+](Cc1nnc(C2CC2)o1)C1CCCC1 ZINC000155878309 326213886 /nfs/dbraw/zinc/21/38/86/326213886.db2.gz ONUDYULUEKRWIO-UHFFFAOYSA-N 1 2 245.326 2.325 20 30 BEEDLO C#CC[N@@H+](Cc1nnc(C2CC2)o1)C1CCCC1 ZINC000155878309 326213891 /nfs/dbraw/zinc/21/38/91/326213891.db2.gz ONUDYULUEKRWIO-UHFFFAOYSA-N 1 2 245.326 2.325 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C(C)=O)no1 ZINC000568162879 326317203 /nfs/dbraw/zinc/31/72/03/326317203.db2.gz JCJJRZVXZDSHBR-LLVKDONJSA-N 1 2 234.299 2.418 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C(C)=O)no1 ZINC000568162879 326317205 /nfs/dbraw/zinc/31/72/05/326317205.db2.gz JCJJRZVXZDSHBR-LLVKDONJSA-N 1 2 234.299 2.418 20 30 BEEDLO C=CCCC[C@H](C)[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682548640 487986914 /nfs/dbraw/zinc/98/69/14/487986914.db2.gz YUNXYFYELFKBGY-WDEREUQCSA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCCC[C@H](C)[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682548640 487986919 /nfs/dbraw/zinc/98/69/19/487986919.db2.gz YUNXYFYELFKBGY-WDEREUQCSA-N 1 2 233.302 2.433 20 30 BEEDLO C#C[C@@H](C)N(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000491415384 488032606 /nfs/dbraw/zinc/03/26/06/488032606.db2.gz HEXLELDMVVEKPN-SNVBAGLBSA-N 1 2 231.299 2.184 20 30 BEEDLO C=C1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667602332 488057480 /nfs/dbraw/zinc/05/74/80/488057480.db2.gz ZKZMSHSVKYKWRI-UHFFFAOYSA-N 1 2 232.331 2.155 20 30 BEEDLO C=CCCN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000682416694 487952498 /nfs/dbraw/zinc/95/24/98/487952498.db2.gz GRBIUVZLMTZQOZ-UHFFFAOYSA-N 1 2 244.298 2.374 20 30 BEEDLO C=CC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000645942787 491081607 /nfs/dbraw/zinc/08/16/07/491081607.db2.gz WNFVSULRCIMTBQ-UHFFFAOYSA-N 1 2 238.281 2.273 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000284301164 535726717 /nfs/dbraw/zinc/72/67/17/535726717.db2.gz IUQLKKGZUJLDIJ-LBPRGKRZSA-N 1 2 242.326 2.425 20 30 BEEDLO CC[C@@H](CC#N)NCc1cn2cc(C)ccc2[nH+]1 ZINC000284301164 535726722 /nfs/dbraw/zinc/72/67/22/535726722.db2.gz IUQLKKGZUJLDIJ-LBPRGKRZSA-N 1 2 242.326 2.425 20 30 BEEDLO C=CCN(CC=C)Cc1[nH+]ccn1C1CC1 ZINC000891449579 582688655 /nfs/dbraw/zinc/68/86/55/582688655.db2.gz YQICZDUGGPZQRK-UHFFFAOYSA-N 1 2 217.316 2.392 20 30 BEEDLO C=CC[NH+](CC=C)Cc1nccn1C1CC1 ZINC000891449579 582688657 /nfs/dbraw/zinc/68/86/57/582688657.db2.gz YQICZDUGGPZQRK-UHFFFAOYSA-N 1 2 217.316 2.392 20 30 BEEDLO CC[N@H+](Cc1ccc(OC)o1)C[C@H](C)C#N ZINC000891715856 582713170 /nfs/dbraw/zinc/71/31/70/582713170.db2.gz IXBPDIYGJCYLEX-SNVBAGLBSA-N 1 2 222.288 2.270 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)ccc1OC ZINC000054183187 536056366 /nfs/dbraw/zinc/05/63/66/536056366.db2.gz WFJVFVHSIBHPFO-GFCCVEGCSA-N 1 2 248.326 2.486 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ncc(C)s1 ZINC000295465721 536057417 /nfs/dbraw/zinc/05/74/17/536057417.db2.gz RDVAIKOXUDOLEP-SECBINFHSA-N 1 2 209.318 2.233 20 30 BEEDLO C=C(CC)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000358511341 534390369 /nfs/dbraw/zinc/39/03/69/534390369.db2.gz RASDGJXRKDQCCE-UHFFFAOYSA-N 1 2 236.281 2.133 20 30 BEEDLO C=C1CC[NH+](CC(=O)c2cc(C)[nH]c2C)CC1 ZINC000334187702 534466474 /nfs/dbraw/zinc/46/64/74/534466474.db2.gz HCMSWXDPVVFNTI-UHFFFAOYSA-N 1 2 232.327 2.466 20 30 BEEDLO C=C[C@H](C)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000336071107 534661835 /nfs/dbraw/zinc/66/18/35/534661835.db2.gz WAOJCIKZHLJZGH-VIFPVBQESA-N 1 2 243.310 2.186 20 30 BEEDLO C=C[C@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000336092785 534696724 /nfs/dbraw/zinc/69/67/24/534696724.db2.gz BBHZLRUBPYDYIS-NSHDSACASA-N 1 2 203.289 2.330 20 30 BEEDLO C=CCN(CC=C)Cc1[nH+]ccn1CC ZINC000076693012 534829982 /nfs/dbraw/zinc/82/99/82/534829982.db2.gz AFXCFAQFAQVJAQ-UHFFFAOYSA-N 1 2 205.305 2.077 20 30 BEEDLO C=CC[NH+](CC=C)Cc1nccn1CC ZINC000076693012 534829990 /nfs/dbraw/zinc/82/99/90/534829990.db2.gz AFXCFAQFAQVJAQ-UHFFFAOYSA-N 1 2 205.305 2.077 20 30 BEEDLO CC(=O)c1cccc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000297034309 534887887 /nfs/dbraw/zinc/88/78/87/534887887.db2.gz HMYSADLWBOUUMV-LLVKDONJSA-N 1 2 230.311 2.481 20 30 BEEDLO CC(=O)c1cccc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000297034309 534887888 /nfs/dbraw/zinc/88/78/88/534887888.db2.gz HMYSADLWBOUUMV-LLVKDONJSA-N 1 2 230.311 2.481 20 30 BEEDLO C#CC[N@@H+](CC)CC(=O)c1cc(C)n(CC)c1C ZINC000490763383 526896652 /nfs/dbraw/zinc/89/66/52/526896652.db2.gz QERXUWFXUUSLAZ-UHFFFAOYSA-N 1 2 246.354 2.263 20 30 BEEDLO C#CC[N@H+](CC)CC(=O)c1cc(C)n(CC)c1C ZINC000490763383 526896659 /nfs/dbraw/zinc/89/66/59/526896659.db2.gz QERXUWFXUUSLAZ-UHFFFAOYSA-N 1 2 246.354 2.263 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000491734131 527214153 /nfs/dbraw/zinc/21/41/53/527214153.db2.gz NLIMQPBDYITOGV-SNVBAGLBSA-N 1 2 220.316 2.426 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000491734131 527214158 /nfs/dbraw/zinc/21/41/58/527214158.db2.gz NLIMQPBDYITOGV-SNVBAGLBSA-N 1 2 220.316 2.426 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CCCCC(C)(C)C#N ZINC000491268221 527428089 /nfs/dbraw/zinc/42/80/89/527428089.db2.gz YPWLQTICUWXYKB-ZDUSSCGKSA-N 1 2 234.343 2.040 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CCCCC(C)(C)C#N ZINC000491268221 527428093 /nfs/dbraw/zinc/42/80/93/527428093.db2.gz YPWLQTICUWXYKB-ZDUSSCGKSA-N 1 2 234.343 2.040 20 30 BEEDLO CCOC1(C)C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000404072247 528461483 /nfs/dbraw/zinc/46/14/83/528461483.db2.gz MFAXOWYXAZZEPI-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO CCc1cc(N)nc(S[C@H]2CC[C@H](C#N)C2)[nH+]1 ZINC000295314081 536143432 /nfs/dbraw/zinc/14/34/32/536143432.db2.gz LBPSYUPWGYLPLN-WPRPVWTQSA-N 1 2 248.355 2.406 20 30 BEEDLO CO[C@H](C[N@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000284245688 536553936 /nfs/dbraw/zinc/55/39/36/536553936.db2.gz CJXSSWAFRBBCFO-GXTWGEPZSA-N 1 2 232.327 2.466 20 30 BEEDLO CO[C@H](C[N@@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000284245688 536553942 /nfs/dbraw/zinc/55/39/42/536553942.db2.gz CJXSSWAFRBBCFO-GXTWGEPZSA-N 1 2 232.327 2.466 20 30 BEEDLO Cc1cnc(Cl)c(C[NH2+]C[C@@H](C)C#N)c1 ZINC000893543414 583159358 /nfs/dbraw/zinc/15/93/58/583159358.db2.gz BYGGWZZTQBONEU-VIFPVBQESA-N 1 2 223.707 2.293 20 30 BEEDLO Cc1noc([C@H](C)[NH2+][C@H](C)CC(C)(C)C#N)n1 ZINC000893972611 583265263 /nfs/dbraw/zinc/26/52/63/583265263.db2.gz LAYDBPYJJJZGND-BDAKNGLRSA-N 1 2 236.319 2.357 20 30 BEEDLO Cc1cc(N=NCc2[nH+]ccn2C(C)C)ncn1 ZINC000853305919 588731565 /nfs/dbraw/zinc/73/15/65/588731565.db2.gz GWLPOBFGIDOZHG-UHFFFAOYSA-N 1 2 244.302 2.008 20 30 BEEDLO C1CC12CCCC2N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000853325510 588733170 /nfs/dbraw/zinc/73/31/70/588733170.db2.gz WFTITIZPRWYWPQ-QWRGUYRKSA-N 1 2 246.358 2.167 20 30 BEEDLO Cc1[nH+]cc(C=NN[C@@H]2CCCC2(C)C)n1C ZINC000853340697 588735089 /nfs/dbraw/zinc/73/50/89/588735089.db2.gz FWSGRRYYXXLWRD-GFCCVEGCSA-N 1 2 234.347 2.231 20 30 BEEDLO CC1(C)CCC[C@H]1NN=Cc1c[nH+]c2n1CCC2 ZINC000853342066 588735494 /nfs/dbraw/zinc/73/54/94/588735494.db2.gz ZIPKEHXAPGNPDJ-GFCCVEGCSA-N 1 2 246.358 2.332 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](C)OC ZINC000853520229 588747593 /nfs/dbraw/zinc/74/75/93/588747593.db2.gz JUGGZAFNXAGYGW-LBPRGKRZSA-N 1 2 248.326 2.321 20 30 BEEDLO C=CC[C@@H]1CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000890551232 582471167 /nfs/dbraw/zinc/47/11/67/582471167.db2.gz YNFBONMNWDZHNP-NWDGAFQWSA-N 1 2 233.315 2.011 20 30 BEEDLO C=C(C)CNN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000811651654 582482351 /nfs/dbraw/zinc/48/23/51/582482351.db2.gz IXHCYEBOSMTDRW-UHFFFAOYSA-N 1 2 240.310 2.372 20 30 BEEDLO C=CC(C)(C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000891267178 582646795 /nfs/dbraw/zinc/64/67/95/582646795.db2.gz QPTODCZZKOONTJ-UHFFFAOYSA-N 1 2 243.310 2.337 20 30 BEEDLO CC[N@@H+](Cc1cn2ccnc2s1)C[C@H](C)C#N ZINC000891717168 582713020 /nfs/dbraw/zinc/71/30/20/582713020.db2.gz YNOSXDHXOPEOSD-SNVBAGLBSA-N 1 2 248.355 2.377 20 30 BEEDLO CC[N@H+](Cc1cn2ccnc2s1)C[C@H](C)C#N ZINC000891717168 582713022 /nfs/dbraw/zinc/71/30/22/582713022.db2.gz YNOSXDHXOPEOSD-SNVBAGLBSA-N 1 2 248.355 2.377 20 30 BEEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)cnc1F ZINC000891716092 582713129 /nfs/dbraw/zinc/71/31/29/582713129.db2.gz LLCSCIGZJNBTTH-SECBINFHSA-N 1 2 221.279 2.121 20 30 BEEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)cnc1F ZINC000891716092 582713130 /nfs/dbraw/zinc/71/31/30/582713130.db2.gz LLCSCIGZJNBTTH-SECBINFHSA-N 1 2 221.279 2.121 20 30 BEEDLO CC[N@@H+](Cc1ccc(OC)o1)C[C@H](C)C#N ZINC000891715856 582713169 /nfs/dbraw/zinc/71/31/69/582713169.db2.gz IXBPDIYGJCYLEX-SNVBAGLBSA-N 1 2 222.288 2.270 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc2[nH]c(=O)oc21 ZINC000891716311 582713601 /nfs/dbraw/zinc/71/36/01/582713601.db2.gz NYKMEMAFUHZJFP-VIFPVBQESA-N 1 2 245.282 2.125 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc2[nH]c(=O)oc21 ZINC000891716311 582713602 /nfs/dbraw/zinc/71/36/02/582713602.db2.gz NYKMEMAFUHZJFP-VIFPVBQESA-N 1 2 245.282 2.125 20 30 BEEDLO CC[N@@H+](Cc1cn(C)nc1C1CC1)C[C@H](C)C#N ZINC000891716633 582713738 /nfs/dbraw/zinc/71/37/38/582713738.db2.gz UYFVYDHUQOFMMO-LLVKDONJSA-N 1 2 246.358 2.279 20 30 BEEDLO CC[N@H+](Cc1cn(C)nc1C1CC1)C[C@H](C)C#N ZINC000891716633 582713740 /nfs/dbraw/zinc/71/37/40/582713740.db2.gz UYFVYDHUQOFMMO-LLVKDONJSA-N 1 2 246.358 2.279 20 30 BEEDLO C=C(C)CN(CC)c1nc(N)[nH+]c(C(C)(C)C)n1 ZINC000891722968 582714403 /nfs/dbraw/zinc/71/44/03/582714403.db2.gz FLTVAONWDUGLDM-UHFFFAOYSA-N 1 2 249.362 2.154 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cnn(C)c1C1CC1 ZINC000891934350 582739766 /nfs/dbraw/zinc/73/97/66/582739766.db2.gz RYJIDLJERVCHCT-SNVBAGLBSA-N 1 2 232.331 2.031 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnn(C)c1C1CC1 ZINC000891934350 582739768 /nfs/dbraw/zinc/73/97/68/582739768.db2.gz RYJIDLJERVCHCT-SNVBAGLBSA-N 1 2 232.331 2.031 20 30 BEEDLO Cc1cc(F)ncc1C[N@@H+](C)[C@@H](C)CC#N ZINC000891933093 582739963 /nfs/dbraw/zinc/73/99/63/582739963.db2.gz ASFOWQZLCHXXFU-JTQLQIEISA-N 1 2 221.279 2.263 20 30 BEEDLO Cc1cc(F)ncc1C[N@H+](C)[C@@H](C)CC#N ZINC000891933093 582739965 /nfs/dbraw/zinc/73/99/65/582739965.db2.gz ASFOWQZLCHXXFU-JTQLQIEISA-N 1 2 221.279 2.263 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cn2ccnc2s1 ZINC000891934943 582740464 /nfs/dbraw/zinc/74/04/64/582740464.db2.gz YHTOIGFNCVLBNI-SECBINFHSA-N 1 2 234.328 2.130 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cn2ccnc2s1 ZINC000891934943 582740466 /nfs/dbraw/zinc/74/04/66/582740466.db2.gz YHTOIGFNCVLBNI-SECBINFHSA-N 1 2 234.328 2.130 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc2[nH]c(=O)oc21 ZINC000891933866 582741012 /nfs/dbraw/zinc/74/10/12/582741012.db2.gz NHLJIEGZWJZPLZ-SECBINFHSA-N 1 2 245.282 2.267 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc2[nH]c(=O)oc21 ZINC000891933866 582741015 /nfs/dbraw/zinc/74/10/15/582741015.db2.gz NHLJIEGZWJZPLZ-SECBINFHSA-N 1 2 245.282 2.267 20 30 BEEDLO CC(C)CCCC[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000892039116 582770228 /nfs/dbraw/zinc/77/02/28/582770228.db2.gz MABIEQBMKGTSIA-OAHLLOKOSA-N 1 2 249.402 2.485 20 30 BEEDLO CC(C)CCCC[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000892039116 582770231 /nfs/dbraw/zinc/77/02/31/582770231.db2.gz MABIEQBMKGTSIA-OAHLLOKOSA-N 1 2 249.402 2.485 20 30 BEEDLO C#CCCCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000856287300 588867370 /nfs/dbraw/zinc/86/73/70/588867370.db2.gz UEIVXCAOENPXEY-UHFFFAOYSA-N 1 2 241.294 2.385 20 30 BEEDLO C=C1CCC(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000893044747 583036390 /nfs/dbraw/zinc/03/63/90/583036390.db2.gz MKHVYZDOXXQMBS-LLVKDONJSA-N 1 2 247.342 2.344 20 30 BEEDLO C=CC[C@H](CO)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893163941 583061134 /nfs/dbraw/zinc/06/11/34/583061134.db2.gz YRRSQUOLVYSVQB-GFCCVEGCSA-N 1 2 247.342 2.401 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cncc(Cl)c1 ZINC000856726997 588875516 /nfs/dbraw/zinc/87/55/16/588875516.db2.gz UTIKAPCNBNFXOT-UHFFFAOYSA-N 1 2 232.714 2.194 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cncc(Cl)c1 ZINC000856726997 588875517 /nfs/dbraw/zinc/87/55/17/588875517.db2.gz UTIKAPCNBNFXOT-UHFFFAOYSA-N 1 2 232.714 2.194 20 30 BEEDLO C=CCN(C)c1cc(CC)[nH+]c(CC)n1 ZINC000893259261 583079907 /nfs/dbraw/zinc/07/99/07/583079907.db2.gz QYWFEFIKDACXKN-UHFFFAOYSA-N 1 2 205.305 2.224 20 30 BEEDLO C=C[C@H]1CCCCN1c1cc(NC)[nH+]cn1 ZINC000893551734 583163067 /nfs/dbraw/zinc/16/30/67/583163067.db2.gz NPDWABJDORDABV-JTQLQIEISA-N 1 2 218.304 2.063 20 30 BEEDLO C=C[C@H]1CCCCN1c1cc(NC)nc[nH+]1 ZINC000893551734 583163068 /nfs/dbraw/zinc/16/30/68/583163068.db2.gz NPDWABJDORDABV-JTQLQIEISA-N 1 2 218.304 2.063 20 30 BEEDLO CC[N@@H+](Cc1[nH]nc(C)c1C)C[C@H](C)C#N ZINC000893994544 583268082 /nfs/dbraw/zinc/26/80/82/583268082.db2.gz HXADUIKGCWRJPD-SECBINFHSA-N 1 2 220.320 2.008 20 30 BEEDLO CC[N@H+](Cc1[nH]nc(C)c1C)C[C@H](C)C#N ZINC000893994544 583268083 /nfs/dbraw/zinc/26/80/83/583268083.db2.gz HXADUIKGCWRJPD-SECBINFHSA-N 1 2 220.320 2.008 20 30 BEEDLO Cc1noc2ncc(C[N@@H+](C)[C@@H](C)CC#N)cc12 ZINC000894001187 583271226 /nfs/dbraw/zinc/27/12/26/583271226.db2.gz DEHXWGKBWCNVSX-VIFPVBQESA-N 1 2 244.298 2.265 20 30 BEEDLO Cc1noc2ncc(C[N@H+](C)[C@@H](C)CC#N)cc12 ZINC000894001187 583271228 /nfs/dbraw/zinc/27/12/28/583271228.db2.gz DEHXWGKBWCNVSX-VIFPVBQESA-N 1 2 244.298 2.265 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1cc(F)ccc1O ZINC000814171435 583342256 /nfs/dbraw/zinc/34/22/56/583342256.db2.gz OSDJKIJKPHBYKW-UHFFFAOYSA-N 1 2 234.274 2.433 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1cc(F)ccc1O ZINC000814171435 583342259 /nfs/dbraw/zinc/34/22/59/583342259.db2.gz OSDJKIJKPHBYKW-UHFFFAOYSA-N 1 2 234.274 2.433 20 30 BEEDLO CCc1ccccc1N[NH+]=Cc1cn(C)[nH]c1=O ZINC000814219539 583348885 /nfs/dbraw/zinc/34/88/85/583348885.db2.gz ZNJANAXGASOERP-UHFFFAOYSA-N 1 2 244.298 2.134 20 30 BEEDLO N#CCC1(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)CC1 ZINC000878338444 583370779 /nfs/dbraw/zinc/37/07/79/583370779.db2.gz SWCYWCBIAMXKGF-NSHDSACASA-N 1 2 230.315 2.240 20 30 BEEDLO N#CCC1(C[N@H+]2CCC[C@H]2c2ncc[nH]2)CC1 ZINC000878338444 583370782 /nfs/dbraw/zinc/37/07/82/583370782.db2.gz SWCYWCBIAMXKGF-NSHDSACASA-N 1 2 230.315 2.240 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)C(C)C ZINC000894386946 583444061 /nfs/dbraw/zinc/44/40/61/583444061.db2.gz GDYPPEKBBCAJOR-SNVBAGLBSA-N 1 2 235.356 2.163 20 30 BEEDLO C=C1CN(c2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC000894534127 583478366 /nfs/dbraw/zinc/47/83/66/583478366.db2.gz CZNFEUHGZKHWTC-UHFFFAOYSA-N 1 2 215.300 2.429 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N(C)C)[nH+]cn1 ZINC000894609444 583491873 /nfs/dbraw/zinc/49/18/73/583491873.db2.gz DZPSFMRUTUZGSH-TXEJJXNPSA-N 1 2 244.342 2.230 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(N(C)C)nc[nH+]1 ZINC000894609444 583491876 /nfs/dbraw/zinc/49/18/76/583491876.db2.gz DZPSFMRUTUZGSH-TXEJJXNPSA-N 1 2 244.342 2.230 20 30 BEEDLO N#Cc1cc(C[N@H+]2CC[C@H](F)C2)cs1 ZINC000894673159 583504133 /nfs/dbraw/zinc/50/41/33/583504133.db2.gz XWVSNHJPMSGPFB-VIFPVBQESA-N 1 2 210.277 2.164 20 30 BEEDLO N#Cc1cc(C[N@@H+]2CC[C@H](F)C2)cs1 ZINC000894673159 583504135 /nfs/dbraw/zinc/50/41/35/583504135.db2.gz XWVSNHJPMSGPFB-VIFPVBQESA-N 1 2 210.277 2.164 20 30 BEEDLO CC(C)[N@H+](Cc1csc(C#N)c1)C1COC1 ZINC000894659635 583504609 /nfs/dbraw/zinc/50/46/09/583504609.db2.gz YACFIIPVOVZZFX-UHFFFAOYSA-N 1 2 236.340 2.229 20 30 BEEDLO CC(C)[N@@H+](Cc1csc(C#N)c1)C1COC1 ZINC000894659635 583504610 /nfs/dbraw/zinc/50/46/10/583504610.db2.gz YACFIIPVOVZZFX-UHFFFAOYSA-N 1 2 236.340 2.229 20 30 BEEDLO CC1(C#N)CN(Cc2[nH+]ccc3c2CCCC3)C1 ZINC000894822857 583525442 /nfs/dbraw/zinc/52/54/42/583525442.db2.gz VPAVKJUDYHMWNP-UHFFFAOYSA-N 1 2 241.338 2.306 20 30 BEEDLO COC1CCC(C[NH+]2CC(C)(C#N)C2)CC1 ZINC000894821835 583525672 /nfs/dbraw/zinc/52/56/72/583525672.db2.gz JWSCWKREAXQGAO-UHFFFAOYSA-N 1 2 222.332 2.037 20 30 BEEDLO Cc1coc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000895025055 583570861 /nfs/dbraw/zinc/57/08/61/583570861.db2.gz GWPDLOFSJYOILV-UHFFFAOYSA-N 1 2 204.273 2.372 20 30 BEEDLO CC(=[NH+]N[C@H](C)CC#N)c1cc(N)ccc1F ZINC000814881100 583577076 /nfs/dbraw/zinc/57/70/76/583577076.db2.gz IPRMEOLTWNXEFQ-MRVPVSSYSA-N 1 2 234.278 2.024 20 30 BEEDLO Cn1c[nH+]c(CN=Nc2cccc(F)c2F)c1 ZINC000794515888 583601618 /nfs/dbraw/zinc/60/16/18/583601618.db2.gz OTCZPSCXSHYEBL-UHFFFAOYSA-N 1 2 236.225 2.144 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cnccn1 ZINC000895134107 583601683 /nfs/dbraw/zinc/60/16/83/583601683.db2.gz VPPIPLWPSCDNOJ-LLVKDONJSA-N 1 2 230.315 2.211 20 30 BEEDLO COc1ccc(C[NH2+]CC2(C#N)CCCC2)nc1 ZINC000895142292 583603206 /nfs/dbraw/zinc/60/32/06/583603206.db2.gz OTCZHLNEOISWCZ-UHFFFAOYSA-N 1 2 245.326 2.264 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1Cc2ccncc2C1 ZINC000857879198 588919615 /nfs/dbraw/zinc/91/96/15/588919615.db2.gz VYJPRAAFUVAYMY-NSHDSACASA-N 1 2 200.285 2.199 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1Cc2ccncc2C1 ZINC000857879198 588919617 /nfs/dbraw/zinc/91/96/17/588919617.db2.gz VYJPRAAFUVAYMY-NSHDSACASA-N 1 2 200.285 2.199 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895390069 583664069 /nfs/dbraw/zinc/66/40/69/583664069.db2.gz REQKZBBQJKEKCI-GFCCVEGCSA-N 1 2 219.332 2.425 20 30 BEEDLO C=CC[C@@H]1CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895390069 583664070 /nfs/dbraw/zinc/66/40/70/583664070.db2.gz REQKZBBQJKEKCI-GFCCVEGCSA-N 1 2 219.332 2.425 20 30 BEEDLO CCCCCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888969 588920978 /nfs/dbraw/zinc/92/09/78/588920978.db2.gz ACFCHCBDOMLCQT-LBPRGKRZSA-N 1 2 249.358 2.285 20 30 BEEDLO Cc1cc(NC[C@]2(C)CCCCO2)c(C#N)c[nH+]1 ZINC000896179945 583779527 /nfs/dbraw/zinc/77/95/27/583779527.db2.gz BOTHFRYBUITAFJ-AWEZNQCLSA-N 1 2 245.326 2.055 20 30 BEEDLO C=CC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896414054 583801147 /nfs/dbraw/zinc/80/11/47/583801147.db2.gz JPVXWXSWYYMADF-SNVBAGLBSA-N 1 2 235.331 2.007 20 30 BEEDLO Oc1ccc(/C=[NH+]\C[C@@H]2C[C@H]2C2CC2)c(O)c1O ZINC000840710085 583862280 /nfs/dbraw/zinc/86/22/80/583862280.db2.gz OWFDZRCQMRTHKA-RVCWJPEXSA-N 1 2 247.294 2.268 20 30 BEEDLO COCC[C@H](C)C/[NH+]=C/c1ccccc1O ZINC000840711782 583879283 /nfs/dbraw/zinc/87/92/83/583879283.db2.gz SLGUODXWVBOBBE-IWQAVIMZSA-N 1 2 221.300 2.484 20 30 BEEDLO NC(CCO)=[NH+]OCc1cccc2ccccc21 ZINC000121319175 583920021 /nfs/dbraw/zinc/92/00/21/583920021.db2.gz SUGAOQBOQBFBED-UHFFFAOYSA-N 1 2 244.294 2.011 20 30 BEEDLO CCc1cc(NCC#C[C@H]2CCCCO2)nc[nH+]1 ZINC000897454559 583987714 /nfs/dbraw/zinc/98/77/14/583987714.db2.gz GSDZSXGXFZOFJP-CYBMUJFWSA-N 1 2 245.326 2.023 20 30 BEEDLO C=C1CCC(C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000898577640 584143659 /nfs/dbraw/zinc/14/36/59/584143659.db2.gz BCEXTGJPJMLGRR-UHFFFAOYSA-N 1 2 233.315 2.115 20 30 BEEDLO C=C1CCC(C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000898577640 584143662 /nfs/dbraw/zinc/14/36/62/584143662.db2.gz BCEXTGJPJMLGRR-UHFFFAOYSA-N 1 2 233.315 2.115 20 30 BEEDLO CC[C@H](C)CC=[NH+]n1nnc2c1CCCC2 ZINC000901328617 584423719 /nfs/dbraw/zinc/42/37/19/584423719.db2.gz IVIDSCXHSPPVBT-JTQLQIEISA-N 1 2 220.320 2.427 20 30 BEEDLO C(=[NH+]n1nnc2c1CCCC2)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000901329247 584423919 /nfs/dbraw/zinc/42/39/19/584423919.db2.gz UPOYGBRNFWALED-UTUOFQBUSA-N 1 2 244.342 2.427 20 30 BEEDLO CC[C@@H](C)CC=[NH+]n1nnc2c1CCCC2 ZINC000901328618 584423922 /nfs/dbraw/zinc/42/39/22/584423922.db2.gz IVIDSCXHSPPVBT-SNVBAGLBSA-N 1 2 220.320 2.427 20 30 BEEDLO C[C@H]1CC[C@@H](C=[NH+]n2nnc3c2CCCC3)C1 ZINC000901331440 584424949 /nfs/dbraw/zinc/42/49/49/584424949.db2.gz NZDHVDWIJAROJW-WDEREUQCSA-N 1 2 232.331 2.427 20 30 BEEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1nccn1C ZINC000901475467 584448302 /nfs/dbraw/zinc/44/83/02/584448302.db2.gz RMSDALBTNVKNNT-PLNGDYQASA-N 1 2 244.298 2.094 20 30 BEEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccnn1C ZINC000901501280 584454882 /nfs/dbraw/zinc/45/48/82/584454882.db2.gz VFQLBZQVBXLSDP-PLNGDYQASA-N 1 2 244.298 2.094 20 30 BEEDLO O=C(/C=C/c1cn(C2CC2)c[nH+]1)c1ncco1 ZINC000901517248 584461964 /nfs/dbraw/zinc/46/19/64/584461964.db2.gz YNBSZEMFJCTIFS-DAFODLJHSA-N 1 2 229.239 2.102 20 30 BEEDLO N#Cc1ccnc(NCc2[nH+]ccn2C2CC2)c1 ZINC000902111089 584526964 /nfs/dbraw/zinc/52/69/64/584526964.db2.gz UKJBDTKNIGGZDW-UHFFFAOYSA-N 1 2 239.282 2.097 20 30 BEEDLO C=CCCO[NH+]=C(N)Cc1ccccc1F ZINC000902623832 584640414 /nfs/dbraw/zinc/64/04/14/584640414.db2.gz YMZOTDVAVQNJMH-UHFFFAOYSA-N 1 2 222.263 2.443 20 30 BEEDLO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)c2nccn21 ZINC000903035416 584719005 /nfs/dbraw/zinc/71/90/05/584719005.db2.gz OTDSQDVQUQKOHS-WDEREUQCSA-N 1 2 230.315 2.172 20 30 BEEDLO CCn1ccnc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000903101537 584727309 /nfs/dbraw/zinc/72/73/09/584727309.db2.gz IGWMUKZGBIEIRO-JTQLQIEISA-N 1 2 220.320 2.103 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cncs1 ZINC000903106891 584728559 /nfs/dbraw/zinc/72/85/59/584728559.db2.gz YBQGZULVURELNA-MRVPVSSYSA-N 1 2 207.302 2.097 20 30 BEEDLO Cc1cc(C)c(C(=O)N[C@@H](C#N)C2CC2)c(C)[nH+]1 ZINC000904114289 584843002 /nfs/dbraw/zinc/84/30/02/584843002.db2.gz ZDGZRNSOIABHJF-LBPRGKRZSA-N 1 2 243.310 2.039 20 30 BEEDLO O=C1c2cc(F)ccc2OC/C1=C\c1[nH]cc[nH+]1 ZINC000731564847 584926938 /nfs/dbraw/zinc/92/69/38/584926938.db2.gz AVNSMXSYGQGNLX-VMPITWQZSA-N 1 2 244.225 2.208 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000731918795 584931540 /nfs/dbraw/zinc/93/15/40/584931540.db2.gz XHWYNDXKXCTMSS-HTQZYQBOSA-N 1 2 243.656 2.127 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000731918795 584931541 /nfs/dbraw/zinc/93/15/41/584931541.db2.gz XHWYNDXKXCTMSS-HTQZYQBOSA-N 1 2 243.656 2.127 20 30 BEEDLO C=C(C)C(C)(C)C(=O)OCc1c[nH+]cn1C ZINC000820160678 585011071 /nfs/dbraw/zinc/01/10/71/585011071.db2.gz ABGCRBWRJJBOQX-UHFFFAOYSA-N 1 2 222.288 2.066 20 30 BEEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)C)on1 ZINC000739914946 585085577 /nfs/dbraw/zinc/08/55/77/585085577.db2.gz TWOXVCOVVMUEHY-UHFFFAOYSA-N 1 2 221.304 2.355 20 30 BEEDLO Cc1cc(C[N@H+](CCC#N)CC(C)C)on1 ZINC000739914946 585085578 /nfs/dbraw/zinc/08/55/78/585085578.db2.gz TWOXVCOVVMUEHY-UHFFFAOYSA-N 1 2 221.304 2.355 20 30 BEEDLO C#CC[C@@H]([NH2+][C@@H](CCC)CCC=C)C(=O)OC ZINC000839166774 585095266 /nfs/dbraw/zinc/09/52/66/585095266.db2.gz AXDQGEQPODLAAX-QWHCGFSZSA-N 1 2 237.343 2.276 20 30 BEEDLO C#CC[C@H]([NH2+]C[C@H]1C(C)=CCC[C@H]1C)C(=O)OC ZINC000839166814 585095552 /nfs/dbraw/zinc/09/55/52/585095552.db2.gz AQSWXOMSGRBABD-RDBSUJKOSA-N 1 2 249.354 2.133 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](C)CC1CCCC1)C(=O)OC ZINC000839169699 585096033 /nfs/dbraw/zinc/09/60/33/585096033.db2.gz UWOBUEOTBLETHT-AAEUAGOBSA-N 1 2 237.343 2.110 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc(C)c1C ZINC000839187040 585096990 /nfs/dbraw/zinc/09/69/90/585096990.db2.gz ZPVNYEQGGBFYKP-OAHLLOKOSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc(C)c1C ZINC000839187040 585096991 /nfs/dbraw/zinc/09/69/91/585096991.db2.gz ZPVNYEQGGBFYKP-OAHLLOKOSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc(CC)c1 ZINC000839199549 585099208 /nfs/dbraw/zinc/09/92/08/585099208.db2.gz OKRHBSXKHVWLNM-OAHLLOKOSA-N 1 2 229.323 2.083 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc(CC)c1 ZINC000839199549 585099209 /nfs/dbraw/zinc/09/92/09/585099209.db2.gz OKRHBSXKHVWLNM-OAHLLOKOSA-N 1 2 229.323 2.083 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CCCc1cccc(F)c1 ZINC000839199366 585099353 /nfs/dbraw/zinc/09/93/53/585099353.db2.gz JGVQPGWJLKJZIC-OAHLLOKOSA-N 1 2 247.313 2.092 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CCCc1cccc(F)c1 ZINC000839199366 585099354 /nfs/dbraw/zinc/09/93/54/585099354.db2.gz JGVQPGWJLKJZIC-OAHLLOKOSA-N 1 2 247.313 2.092 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cnc(CC)s1 ZINC000741784607 585118476 /nfs/dbraw/zinc/11/84/76/585118476.db2.gz JUEWQLMEFMGNPH-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO CC#CC[N@H+](C)Cc1cnc(CC)s1 ZINC000741784607 585118477 /nfs/dbraw/zinc/11/84/77/585118477.db2.gz JUEWQLMEFMGNPH-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cscn2)c1 ZINC000742381793 585125410 /nfs/dbraw/zinc/12/54/10/585125410.db2.gz JWOHWOMGIPDWFX-UHFFFAOYSA-N 1 2 247.298 2.444 20 30 BEEDLO C#CC[C@@H]1CC[N@@H+](Cc2noc(CCCC)n2)C1 ZINC000886355938 585134335 /nfs/dbraw/zinc/13/43/35/585134335.db2.gz QMOVTQDVVCZFOI-GFCCVEGCSA-N 1 2 247.342 2.257 20 30 BEEDLO C#CC[C@@H]1CC[N@H+](Cc2noc(CCCC)n2)C1 ZINC000886355938 585134336 /nfs/dbraw/zinc/13/43/36/585134336.db2.gz QMOVTQDVVCZFOI-GFCCVEGCSA-N 1 2 247.342 2.257 20 30 BEEDLO C=CCCCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000748311226 585190450 /nfs/dbraw/zinc/19/04/50/585190450.db2.gz OWSOZHSKWZETKC-UHFFFAOYSA-N 1 2 246.310 2.028 20 30 BEEDLO CC1(O)CCC(/[NH+]=C\c2cccc(O)c2O)CC1 ZINC000749844025 585207250 /nfs/dbraw/zinc/20/72/50/585207250.db2.gz GGQLDCZUUSCZIA-DHDCSXOGSA-N 1 2 249.310 2.210 20 30 BEEDLO CC(CC1CC1)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753933921 585272082 /nfs/dbraw/zinc/27/20/82/585272082.db2.gz GCZGRWPHODWYDG-VXGBXAGGSA-N 1 2 234.347 2.022 20 30 BEEDLO C(N=NC1=[NH+][C@@H]2CCCC[C@@H]2N1)C1CCCCC1 ZINC000753937800 585272344 /nfs/dbraw/zinc/27/23/44/585272344.db2.gz HBUJBOHGTHZVAC-BETUJISGSA-N 1 2 248.374 2.413 20 30 BEEDLO CC(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)C1CCC1 ZINC000753936704 585272487 /nfs/dbraw/zinc/27/24/87/585272487.db2.gz AKZNZXHEEVAYHU-VXGBXAGGSA-N 1 2 234.347 2.022 20 30 BEEDLO CC(N=NC1=[NH+][C@H]2CCCC[C@@H]2N1)C1CCCC1 ZINC000753938585 585272620 /nfs/dbraw/zinc/27/26/20/585272620.db2.gz KFKUAHOWQPLDPV-STQMWFEESA-N 1 2 248.374 2.413 20 30 BEEDLO Cc1ncc(CO)c(/C=[NH+]/CCC2CCC2)c1O ZINC000755031426 585293601 /nfs/dbraw/zinc/29/36/01/585293601.db2.gz IYZNCYIPSWKYQY-OVCLIPMQSA-N 1 2 248.326 2.197 20 30 BEEDLO Cc1cc(C)cc(NN=Cc2c[nH+]cn2C)c1 ZINC000755565286 585301644 /nfs/dbraw/zinc/30/16/44/585301644.db2.gz NAKKRKWIARMJQF-UHFFFAOYSA-N 1 2 228.299 2.483 20 30 BEEDLO CCn1cc[nH+]c1CN=Nc1ncccc1Cl ZINC000755656233 585303383 /nfs/dbraw/zinc/30/33/83/585303383.db2.gz VFAYJOGZZHAHRR-UHFFFAOYSA-N 1 2 249.705 2.397 20 30 BEEDLO Cc1[nH+]c[nH]c1CN=Nc1ncccc1Cl ZINC000755654302 585303523 /nfs/dbraw/zinc/30/35/23/585303523.db2.gz IHSPWHBZXVVDDR-UHFFFAOYSA-N 1 2 235.678 2.213 20 30 BEEDLO C[C@H](NN=Cc1c[nH+]cn1C)c1ccccc1 ZINC000755663734 585303743 /nfs/dbraw/zinc/30/37/43/585303743.db2.gz DSFLNHMOMBNJHZ-NSHDSACASA-N 1 2 228.299 2.105 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNCc1cccc(Cl)c1 ZINC000755771056 585306648 /nfs/dbraw/zinc/30/66/48/585306648.db2.gz RUNJRRUXADCPMA-UHFFFAOYSA-N 1 2 248.717 2.495 20 30 BEEDLO COc1ccc(NN=Cc2[nH+]c[nH]c2C)cc1 ZINC000755802293 585307637 /nfs/dbraw/zinc/30/76/37/585307637.db2.gz UDPMHPGXOXMBHC-UHFFFAOYSA-N 1 2 230.271 2.173 20 30 BEEDLO Oc1cccc(/C=[NH+]/C[C@@H]2CCCS2)c1O ZINC000756772654 585322794 /nfs/dbraw/zinc/32/27/94/585322794.db2.gz PBMXBXBJWOXCAX-JLATVTFTSA-N 1 2 237.324 2.412 20 30 BEEDLO C[C@H](CCC#N)[N@H+](C)Cc1ncc(Cl)n1C ZINC000839548854 585330169 /nfs/dbraw/zinc/33/01/69/585330169.db2.gz VASBNYBGBPGYMK-SECBINFHSA-N 1 2 240.738 2.198 20 30 BEEDLO C[C@H](CCC#N)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000839548854 585330170 /nfs/dbraw/zinc/33/01/70/585330170.db2.gz VASBNYBGBPGYMK-SECBINFHSA-N 1 2 240.738 2.198 20 30 BEEDLO Cc1[nH+]cc(C=NNC2CC2)n1-c1ccccc1 ZINC000758133851 585350278 /nfs/dbraw/zinc/35/02/78/585350278.db2.gz VDJPIUMDAJHHMQ-UHFFFAOYSA-N 1 2 240.310 2.267 20 30 BEEDLO C#CCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000758346988 585353994 /nfs/dbraw/zinc/35/39/94/585353994.db2.gz ITXRSUMPOJTORJ-UHFFFAOYSA-N 1 2 227.267 2.076 20 30 BEEDLO C#CCCCC(=O)OCc1cccc2[nH+]ccn21 ZINC000759599862 585376922 /nfs/dbraw/zinc/37/69/22/585376922.db2.gz JYBYDKGUPCNUKL-UHFFFAOYSA-N 1 2 242.278 2.181 20 30 BEEDLO C#CCCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000760357527 585391239 /nfs/dbraw/zinc/39/12/39/585391239.db2.gz RGWLCIJQEDQYHD-UHFFFAOYSA-N 1 2 220.247 2.004 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1c[nH]c2ccccc12 ZINC000790299938 585392948 /nfs/dbraw/zinc/39/29/48/585392948.db2.gz KPPYXSHZOCWNHB-UHFFFAOYSA-N 1 2 239.282 2.347 20 30 BEEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054810 585404515 /nfs/dbraw/zinc/40/45/15/585404515.db2.gz JQRCDYGOOYCCKG-UWVGGRQHSA-N 1 2 245.248 2.314 20 30 BEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054810 585404516 /nfs/dbraw/zinc/40/45/16/585404516.db2.gz JQRCDYGOOYCCKG-UWVGGRQHSA-N 1 2 245.248 2.314 20 30 BEEDLO CC#CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000764376180 585464239 /nfs/dbraw/zinc/46/42/39/585464239.db2.gz IKFKJPUMXSNSAO-UHFFFAOYSA-N 1 2 239.278 2.049 20 30 BEEDLO C#C[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000767441221 585520325 /nfs/dbraw/zinc/52/03/25/585520325.db2.gz ZTOMABNKMQMNDE-SNVBAGLBSA-N 1 2 229.327 2.122 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC000768244427 585534715 /nfs/dbraw/zinc/53/47/15/585534715.db2.gz LHTYSWJDDSFVAW-UHFFFAOYSA-N 1 2 230.311 2.452 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC000768244427 585534716 /nfs/dbraw/zinc/53/47/16/585534716.db2.gz LHTYSWJDDSFVAW-UHFFFAOYSA-N 1 2 230.311 2.452 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1[nH]nc2ccccc21 ZINC000769450942 585557175 /nfs/dbraw/zinc/55/71/75/585557175.db2.gz DNDYGOGDSKLFCK-UHFFFAOYSA-N 1 2 237.306 2.021 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1[nH]nc2ccccc21 ZINC000769450942 585557176 /nfs/dbraw/zinc/55/71/76/585557176.db2.gz DNDYGOGDSKLFCK-UHFFFAOYSA-N 1 2 237.306 2.021 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000769961453 585567752 /nfs/dbraw/zinc/56/77/52/585567752.db2.gz KSFIRDWNOQZJKG-SECBINFHSA-N 1 2 236.246 2.187 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000769961453 585567753 /nfs/dbraw/zinc/56/77/53/585567753.db2.gz KSFIRDWNOQZJKG-SECBINFHSA-N 1 2 236.246 2.187 20 30 BEEDLO FC(F)(F)CON=Cc1cccc2[nH+]ccn21 ZINC000771098484 585590325 /nfs/dbraw/zinc/59/03/25/585590325.db2.gz LOIJKIBWYYFFTA-UHFFFAOYSA-N 1 2 243.188 2.247 20 30 BEEDLO C=C(C)CO[NH+]=C(N)c1cccc(F)c1 ZINC000771650629 585598463 /nfs/dbraw/zinc/59/84/63/585598463.db2.gz FJZMHHTZTZVWKH-UHFFFAOYSA-N 1 2 208.236 2.248 20 30 BEEDLO C#C[C@@H](Nc1cc[nH+]c(C(C)C)n1)[C@H]1CCCO1 ZINC000772252719 585610982 /nfs/dbraw/zinc/61/09/82/585610982.db2.gz BZOXWNOJAPWZOG-VXGBXAGGSA-N 1 2 245.326 2.193 20 30 BEEDLO C=C(CC)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000773183370 585633360 /nfs/dbraw/zinc/63/33/60/585633360.db2.gz NTZVMFQVMXZDMO-UHFFFAOYSA-N 1 2 222.263 2.429 20 30 BEEDLO Cc1ccc(CCC=NNCC(F)F)c[nH+]1 ZINC000774387437 585657183 /nfs/dbraw/zinc/65/71/83/585657183.db2.gz SAGUFBKCGWVDSW-UHFFFAOYSA-N 1 2 227.258 2.163 20 30 BEEDLO C=CC[N@@H+](C)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000777541687 585714501 /nfs/dbraw/zinc/71/45/01/585714501.db2.gz QPSZCTGPPHUASS-TZMCWYRMSA-N 1 2 244.338 2.281 20 30 BEEDLO C=CC[N@H+](C)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000777541687 585714502 /nfs/dbraw/zinc/71/45/02/585714502.db2.gz QPSZCTGPPHUASS-TZMCWYRMSA-N 1 2 244.338 2.281 20 30 BEEDLO C=CC[N@@H+](C)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000777541678 585714553 /nfs/dbraw/zinc/71/45/53/585714553.db2.gz QPSZCTGPPHUASS-GXTWGEPZSA-N 1 2 244.338 2.281 20 30 BEEDLO C=CC[N@H+](C)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000777541678 585714554 /nfs/dbraw/zinc/71/45/54/585714554.db2.gz QPSZCTGPPHUASS-GXTWGEPZSA-N 1 2 244.338 2.281 20 30 BEEDLO Nc1ncc(C=[NH+]Nc2ccccc2Cl)cn1 ZINC000781572445 585798976 /nfs/dbraw/zinc/79/89/76/585798976.db2.gz SPQFYVKYSSVMHB-UHFFFAOYSA-N 1 2 247.689 2.158 20 30 BEEDLO Nc1ncc(C=[NH+]Nc2ccc(Cl)cc2)cn1 ZINC000781575385 585799156 /nfs/dbraw/zinc/79/91/56/585799156.db2.gz SOHDEKHONGBAPW-UHFFFAOYSA-N 1 2 247.689 2.158 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NN[C@@H]1CCCC1(C)C ZINC000782299516 585814359 /nfs/dbraw/zinc/81/43/59/585814359.db2.gz HGPLAAPQUJJCBK-LLVKDONJSA-N 1 2 220.320 2.220 20 30 BEEDLO Oc1ccccc1/C=[NH+]/CC[C@H]1CCOC1 ZINC000783686124 585840152 /nfs/dbraw/zinc/84/01/52/585840152.db2.gz XNQFVFDRYYAJHE-LUHPIMIVSA-N 1 2 219.284 2.238 20 30 BEEDLO CCCNN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783828016 585844153 /nfs/dbraw/zinc/84/41/53/585844153.db2.gz SHBBWRYMLZIFKK-UHFFFAOYSA-N 1 2 234.328 2.267 20 30 BEEDLO C=CCCCC(=O)OCCCn1cc[nH+]c1 ZINC000783981508 585846455 /nfs/dbraw/zinc/84/64/55/585846455.db2.gz BTRZOORLVRQSTN-UHFFFAOYSA-N 1 2 222.288 2.173 20 30 BEEDLO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@](F)(C#N)C2)CCO1 ZINC000786579340 585895460 /nfs/dbraw/zinc/89/54/60/585895460.db2.gz PLDNMPUTGDYKHI-JHJVBQTASA-N 1 2 240.322 2.129 20 30 BEEDLO CC[C@@H]1C[C@H](C[N@H+]2CC[C@@](F)(C#N)C2)CCO1 ZINC000786579340 585895461 /nfs/dbraw/zinc/89/54/61/585895461.db2.gz PLDNMPUTGDYKHI-JHJVBQTASA-N 1 2 240.322 2.129 20 30 BEEDLO C#CCCC/[NH+]=C/c1c(O)cccc1OC ZINC000788674500 585928934 /nfs/dbraw/zinc/92/89/34/585928934.db2.gz KKVYUOUCGNBSLD-GXDHUFHOSA-N 1 2 217.268 2.233 20 30 BEEDLO Cc1ccc(C=[NH+][N-]c2[nH+]ccn2C)cc1C ZINC000790302412 585963076 /nfs/dbraw/zinc/96/30/76/585963076.db2.gz SCWQTLVJVAOTAC-UHFFFAOYSA-N 1 2 228.299 2.483 20 30 BEEDLO Cn1cc[nH+]c1NN=C1CCOc2ccccc21 ZINC000790303549 585963179 /nfs/dbraw/zinc/96/31/79/585963179.db2.gz UZNSHOGWOIJXSU-UHFFFAOYSA-N 1 2 242.282 2.019 20 30 BEEDLO C#CC[C@H]([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000796451183 586103728 /nfs/dbraw/zinc/10/37/28/586103728.db2.gz RNLGJORYZUXDKH-AWEZNQCLSA-N 1 2 225.295 2.264 20 30 BEEDLO C=CCC(C)(C)C(=O)OCCn1cc[nH+]c1 ZINC000796462221 586104271 /nfs/dbraw/zinc/10/42/71/586104271.db2.gz HBGKKVSZTXOTJG-UHFFFAOYSA-N 1 2 222.288 2.029 20 30 BEEDLO C=CCC(C)(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000796461538 586104303 /nfs/dbraw/zinc/10/43/03/586104303.db2.gz LEEZHKJHZBJIJB-UHFFFAOYSA-N 1 2 234.299 2.309 20 30 BEEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(F)(F)CC1 ZINC000796542573 586106948 /nfs/dbraw/zinc/10/69/48/586106948.db2.gz YIZTXHNSBPHPSL-JTQLQIEISA-N 1 2 227.258 2.161 20 30 BEEDLO COc1cccc(C(=O)/C=C\c2cn(C)c[nH+]2)c1 ZINC000798232227 586141240 /nfs/dbraw/zinc/14/12/40/586141240.db2.gz OVTABGBXWRLDLM-SREVYHEPSA-N 1 2 242.278 2.325 20 30 BEEDLO Cc1ccc(C(=O)/C=C\c2cn(C)c[nH+]2)o1 ZINC000798231721 586141336 /nfs/dbraw/zinc/14/13/36/586141336.db2.gz JXKFKIJNXNNVIN-PLNGDYQASA-N 1 2 216.240 2.218 20 30 BEEDLO Cc1ccc(C(=O)/C=C/c2cn(C)c[nH+]2)o1 ZINC000798231725 586141368 /nfs/dbraw/zinc/14/13/68/586141368.db2.gz JXKFKIJNXNNVIN-SNAWJCMRSA-N 1 2 216.240 2.218 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/[C@H](C)[C@H]2CCOC2)c1 ZINC000798343804 586142777 /nfs/dbraw/zinc/14/27/77/586142777.db2.gz RFHGMTNYFJFHHH-OUFKSKKLSA-N 1 2 249.310 2.245 20 30 BEEDLO CC(C)(C#N)CCO[NH+]=C(N)Cc1cccnc1 ZINC000799963283 586204028 /nfs/dbraw/zinc/20/40/28/586204028.db2.gz JBAKIYDCTFOXPR-UHFFFAOYSA-N 1 2 246.314 2.062 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000800329342 586211895 /nfs/dbraw/zinc/21/18/95/586211895.db2.gz IWBKGXJDRZJCPE-SMDDNHRTSA-N 1 2 245.322 2.333 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000800329342 586211897 /nfs/dbraw/zinc/21/18/97/586211897.db2.gz IWBKGXJDRZJCPE-SMDDNHRTSA-N 1 2 245.322 2.333 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000800349922 586212991 /nfs/dbraw/zinc/21/29/91/586212991.db2.gz XVBZVMXSYAJEPP-KGLIPLIRSA-N 1 2 245.322 2.031 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000800349922 586212992 /nfs/dbraw/zinc/21/29/92/586212992.db2.gz XVBZVMXSYAJEPP-KGLIPLIRSA-N 1 2 245.322 2.031 20 30 BEEDLO Cc1ccc(O)c(C(=O)/C=C\c2cn(C)c[nH+]2)c1 ZINC000800794654 586229284 /nfs/dbraw/zinc/22/92/84/586229284.db2.gz MLHBNMOVTOCUJU-XQRVVYSFSA-N 1 2 242.278 2.330 20 30 BEEDLO Cn1c[nH+]c(/C=C2\Oc3cc(F)ccc3C2=O)c1 ZINC000800795273 586229427 /nfs/dbraw/zinc/22/94/27/586229427.db2.gz DSGBHMBDANKXLO-XGICHPGQSA-N 1 2 244.225 2.175 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccsc2)c1 ZINC000800793398 586229598 /nfs/dbraw/zinc/22/95/98/586229598.db2.gz KHODEIVDLJDLIQ-NSCUHMNNSA-N 1 2 218.281 2.378 20 30 BEEDLO Cc1[nH+]c(C(C)N=Nc2ccc(C)cn2)cn1C ZINC000800811955 586230776 /nfs/dbraw/zinc/23/07/76/586230776.db2.gz PLMYCTHKARIESU-UHFFFAOYSA-N 1 2 243.314 2.268 20 30 BEEDLO CCc1[nH+]c(C)ccc1OCCO[C@H](C)C#N ZINC000802733215 586311818 /nfs/dbraw/zinc/31/18/18/586311818.db2.gz AGNPXXLHIAVDFT-LLVKDONJSA-N 1 2 234.299 2.260 20 30 BEEDLO CN(C)c1ncc(C=[NH+]OC/C=C\Cl)s1 ZINC000811671991 586565588 /nfs/dbraw/zinc/56/55/88/586565588.db2.gz ZXARNDANWZMADE-DFMYPLMMSA-N 1 2 245.735 2.312 20 30 BEEDLO N#Cc1ccc2c(c1)C(=O)/C(=C/c1[nH]cc[nH+]1)C2 ZINC000811696359 586565841 /nfs/dbraw/zinc/56/58/41/586565841.db2.gz SQBFLCPCIOCKEN-YRNVUSSQSA-N 1 2 235.246 2.104 20 30 BEEDLO C=CC[N@@H+](C)Cn1nc(C(F)(F)F)cc1C ZINC000811768304 586566777 /nfs/dbraw/zinc/56/67/77/586566777.db2.gz HFSLWKYDZZVVLM-UHFFFAOYSA-N 1 2 233.237 2.286 20 30 BEEDLO C=CC[N@H+](C)Cn1nc(C(F)(F)F)cc1C ZINC000811768304 586566778 /nfs/dbraw/zinc/56/67/78/586566778.db2.gz HFSLWKYDZZVVLM-UHFFFAOYSA-N 1 2 233.237 2.286 20 30 BEEDLO COc1cc(C)[nH+]c(COC(=O)CCCC#N)c1 ZINC000812616908 586580715 /nfs/dbraw/zinc/58/07/15/586580715.db2.gz VGSWVMYSKISETQ-UHFFFAOYSA-N 1 2 248.282 2.136 20 30 BEEDLO CC(=NOCCC1CC1)c1cn(C)c(C)[nH+]1 ZINC000814244594 586620041 /nfs/dbraw/zinc/62/00/41/586620041.db2.gz BBXMMLWNZUDAJR-UHFFFAOYSA-N 1 2 221.304 2.269 20 30 BEEDLO C(=NOCCC1CC1)c1cccc2[nH+]ccn21 ZINC000814245767 586620186 /nfs/dbraw/zinc/62/01/86/586620186.db2.gz HHYMNBNRTSRMAX-UHFFFAOYSA-N 1 2 229.283 2.485 20 30 BEEDLO Cc1ccc(C(C)N=Nc2cnccn2)c(C)[nH+]1 ZINC000814797416 586635144 /nfs/dbraw/zinc/63/51/44/586635144.db2.gz NQPYKUQZGDNKHW-UHFFFAOYSA-N 1 2 241.298 2.325 20 30 BEEDLO COCCCON=C(C)c1ccc(C)[nH+]c1C ZINC000814931351 586653004 /nfs/dbraw/zinc/65/30/04/586653004.db2.gz RBRKLFDTANTLBC-UHFFFAOYSA-N 1 2 236.315 2.476 20 30 BEEDLO C=CCC(F)(F)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000816144391 586710932 /nfs/dbraw/zinc/71/09/32/586710932.db2.gz XDYLORQCDNILHV-QMMMGPOBSA-N 1 2 243.257 2.188 20 30 BEEDLO C=C(C)CNC(=S)NCc1cc(C)[nH+]c(C)c1 ZINC000817561305 586811854 /nfs/dbraw/zinc/81/18/54/586811854.db2.gz ZTGMPALTYCWKMW-UHFFFAOYSA-N 1 2 249.383 2.239 20 30 BEEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccns1 ZINC000860051430 589077389 /nfs/dbraw/zinc/07/73/89/589077389.db2.gz NOHPTWJUMZFAEF-VHSXEESVSA-N 1 2 234.328 2.237 20 30 BEEDLO Cc1cc([NH+](C)C)ccc1NCCC#N ZINC000819409691 586961696 /nfs/dbraw/zinc/96/16/96/586961696.db2.gz TWKDVTNVYYIBGP-UHFFFAOYSA-N 1 2 203.289 2.387 20 30 BEEDLO CC[C@@H](C)NN=Cc1c[nH+]cn1C(C)C ZINC000819809873 586995204 /nfs/dbraw/zinc/99/52/04/586995204.db2.gz QBKAOJZLLFYOFI-SNVBAGLBSA-N 1 2 208.309 2.186 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)CCO ZINC000820664641 587064004 /nfs/dbraw/zinc/06/40/04/587064004.db2.gz PKDLSKQATJBGLB-LBPRGKRZSA-N 1 2 248.326 2.057 20 30 BEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000820947588 587083773 /nfs/dbraw/zinc/08/37/73/587083773.db2.gz FPTNYRALKCSIRK-QWRGUYRKSA-N 1 2 233.315 2.046 20 30 BEEDLO N#Cc1cccc(C(=O)/C=C\c2ccc(N)[nH+]c2)c1 ZINC000821037349 587089999 /nfs/dbraw/zinc/08/99/99/587089999.db2.gz AOYFJUMVAGOIOV-XQRVVYSFSA-N 1 2 249.273 2.432 20 30 BEEDLO Cc1ccc(C(=O)/C=C/c2ccc(N)[nH+]c2)o1 ZINC000821038413 587090627 /nfs/dbraw/zinc/09/06/27/587090627.db2.gz IHNYOBXJQDFWGW-HWKANZROSA-N 1 2 228.251 2.461 20 30 BEEDLO C#CC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000826721288 587360072 /nfs/dbraw/zinc/36/00/72/587360072.db2.gz VACJTQZONZGYAD-UHFFFAOYSA-N 1 2 225.295 2.413 20 30 BEEDLO Cc1cc(C[NH+]2CC(CC#N)C2)cc(Cl)n1 ZINC000826991248 587367250 /nfs/dbraw/zinc/36/72/50/587367250.db2.gz XJROWFUHEUCQSU-UHFFFAOYSA-N 1 2 235.718 2.389 20 30 BEEDLO Cc1nc(N[C@@H]2CCn3cc[nH+]c32)ccc1C#N ZINC000828358550 587438144 /nfs/dbraw/zinc/43/81/44/587438144.db2.gz RWBNUZHOZLPEEV-LLVKDONJSA-N 1 2 239.282 2.015 20 30 BEEDLO C[C@@]1(F)CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000828581228 587451614 /nfs/dbraw/zinc/45/16/14/587451614.db2.gz ISHAJCWVNSMOJX-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000828581228 587451616 /nfs/dbraw/zinc/45/16/16/587451616.db2.gz ISHAJCWVNSMOJX-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO C#CC1CC[NH+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC000830305138 587545607 /nfs/dbraw/zinc/54/56/07/587545607.db2.gz HDHRBNLKTQNBAL-UHFFFAOYSA-N 1 2 247.342 2.212 20 30 BEEDLO C#CCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000832116250 587645585 /nfs/dbraw/zinc/64/55/85/587645585.db2.gz DNYPBJXVWPYAOC-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO C#CCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000832116250 587645586 /nfs/dbraw/zinc/64/55/86/587645586.db2.gz DNYPBJXVWPYAOC-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833278165 587703791 /nfs/dbraw/zinc/70/37/91/587703791.db2.gz OOOXGQPXSTWEAO-ZWNOBZJWSA-N 1 2 233.315 2.046 20 30 BEEDLO C=CCC1(C(=O)N[C@H]2CCn3cc[nH+]c32)CCC1 ZINC000833278019 587703811 /nfs/dbraw/zinc/70/38/11/587703811.db2.gz LURVXUUPADGCNQ-NSHDSACASA-N 1 2 245.326 2.191 20 30 BEEDLO Cc1ccc2[nH+]cc(C=NOC(C)C)n2c1 ZINC000835001411 587776839 /nfs/dbraw/zinc/77/68/39/587776839.db2.gz XOYWCLYCDIATEV-UHFFFAOYSA-N 1 2 217.272 2.402 20 30 BEEDLO CC1=C[C@@H](C)C[C@@H](C=[NH+]n2ccnn2)C1 ZINC000835012368 587777908 /nfs/dbraw/zinc/77/79/08/587777908.db2.gz WZRRWOGLTXWLLI-MWLCHTKSSA-N 1 2 204.277 2.104 20 30 BEEDLO C=C(CC)COC(=O)Cc1cn2ccccc2[nH+]1 ZINC000835662721 587810629 /nfs/dbraw/zinc/81/06/29/587810629.db2.gz SHKSCYJMSDJIQR-UHFFFAOYSA-N 1 2 244.294 2.386 20 30 BEEDLO C#CCC(C)(C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836953745 587843400 /nfs/dbraw/zinc/84/34/00/587843400.db2.gz HLQJXAOWEAHNCA-MNOVXSKESA-N 1 2 245.326 2.055 20 30 BEEDLO COc1cc[nH+]cc1NC(=O)C#CC(C)(C)C ZINC000837380149 587869796 /nfs/dbraw/zinc/86/97/96/587869796.db2.gz NITVRMJPDYUGEG-UHFFFAOYSA-N 1 2 232.283 2.078 20 30 BEEDLO CC(C)(C)C#CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000837414153 587871007 /nfs/dbraw/zinc/87/10/07/587871007.db2.gz VCXYYLUEPDKXHN-UHFFFAOYSA-N 1 2 241.294 2.322 20 30 BEEDLO CCO[C@H]1C[C@@H](/[NH+]=C/c2ccccc2O)C1 ZINC000840709055 587917103 /nfs/dbraw/zinc/91/71/03/587917103.db2.gz ARKXUIKOEAZLEJ-BHZZPZCXSA-N 1 2 219.284 2.379 20 30 BEEDLO C[C@@H](Cc1cnn(C)c1)/[NH+]=C/c1ccccc1O ZINC000840711295 587917627 /nfs/dbraw/zinc/91/76/27/587917627.db2.gz YCZWRXIUGRUQEM-ZRRZQRFHSA-N 1 2 243.310 2.176 20 30 BEEDLO CCc1ncc(C[N@H+](CCC#N)CC(C)C)cn1 ZINC000840907344 587928745 /nfs/dbraw/zinc/92/87/45/587928745.db2.gz CUZFQOFXVREVOM-UHFFFAOYSA-N 1 2 246.358 2.411 20 30 BEEDLO CCc1ncc(C[N@@H+](CCC#N)CC(C)C)cn1 ZINC000840907344 587928746 /nfs/dbraw/zinc/92/87/46/587928746.db2.gz CUZFQOFXVREVOM-UHFFFAOYSA-N 1 2 246.358 2.411 20 30 BEEDLO C=CC[N@@H+](C)CN1C[C@H](C2CCCC2)CC1=O ZINC000842602395 588045587 /nfs/dbraw/zinc/04/55/87/588045587.db2.gz URKNPVSVCSCPCG-CYBMUJFWSA-N 1 2 236.359 2.100 20 30 BEEDLO C=CC[N@H+](C)CN1C[C@H](C2CCCC2)CC1=O ZINC000842602395 588045589 /nfs/dbraw/zinc/04/55/89/588045589.db2.gz URKNPVSVCSCPCG-CYBMUJFWSA-N 1 2 236.359 2.100 20 30 BEEDLO C#CC[N@@H+](Cc1ccnn1CC(C)C)C1CC1 ZINC000843404666 588106816 /nfs/dbraw/zinc/10/68/16/588106816.db2.gz WUFAURWMDNEAMG-UHFFFAOYSA-N 1 2 231.343 2.137 20 30 BEEDLO C#CC[N@H+](Cc1ccnn1CC(C)C)C1CC1 ZINC000843404666 588106818 /nfs/dbraw/zinc/10/68/18/588106818.db2.gz WUFAURWMDNEAMG-UHFFFAOYSA-N 1 2 231.343 2.137 20 30 BEEDLO C=C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)C(=O)OC ZINC000844630406 588211470 /nfs/dbraw/zinc/21/14/70/588211470.db2.gz HHOQVUNSVXNMIS-INTQDDNPSA-N 1 2 249.713 2.008 20 30 BEEDLO C[C@H](CC(=O)OCCCCC#N)n1cc[nH+]c1 ZINC000845281353 588225316 /nfs/dbraw/zinc/22/53/16/588225316.db2.gz NIXJAAFTHNRZKO-LLVKDONJSA-N 1 2 235.287 2.071 20 30 BEEDLO C=C[C@@H](CC)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845506768 588231082 /nfs/dbraw/zinc/23/10/82/588231082.db2.gz UURJFMZKWMDSJX-LBPRGKRZSA-N 1 2 248.326 2.270 20 30 BEEDLO C#CCC(C)(C)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845509056 588231294 /nfs/dbraw/zinc/23/12/94/588231294.db2.gz ZOXAFDGUNJRECY-GFCCVEGCSA-N 1 2 248.326 2.427 20 30 BEEDLO C[C@H](CC(=O)O[C@@H](C#N)C(C)(C)C)n1cc[nH+]c1 ZINC000845512461 588231383 /nfs/dbraw/zinc/23/13/83/588231383.db2.gz XXYDIGLDZBIWMN-MNOVXSKESA-N 1 2 249.314 2.316 20 30 BEEDLO C#CCCCCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244451 588262540 /nfs/dbraw/zinc/26/25/40/588262540.db2.gz JDPMAMOSZMZYBT-UHFFFAOYSA-N 1 2 247.342 2.345 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)CC1(Br)CC1 ZINC000846794038 588288458 /nfs/dbraw/zinc/28/84/58/588288458.db2.gz QFHAMJPQDHIEOG-QMMMGPOBSA-N 1 2 231.137 2.005 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)CC1(Br)CC1 ZINC000846794038 588288459 /nfs/dbraw/zinc/28/84/59/588288459.db2.gz QFHAMJPQDHIEOG-QMMMGPOBSA-N 1 2 231.137 2.005 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1ccc2nonc2c1 ZINC000846917765 588296696 /nfs/dbraw/zinc/29/66/96/588296696.db2.gz DIWDJGBMLIEDOK-UHFFFAOYSA-N 1 2 242.282 2.124 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1ccc2nonc2c1 ZINC000846917765 588296697 /nfs/dbraw/zinc/29/66/97/588296697.db2.gz DIWDJGBMLIEDOK-UHFFFAOYSA-N 1 2 242.282 2.124 20 30 BEEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC000847438782 588313155 /nfs/dbraw/zinc/31/31/55/588313155.db2.gz ORMFPBMPYFSWFK-NSHDSACASA-N 1 2 235.331 2.011 20 30 BEEDLO C=CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC000847438782 588313157 /nfs/dbraw/zinc/31/31/57/588313157.db2.gz ORMFPBMPYFSWFK-NSHDSACASA-N 1 2 235.331 2.011 20 30 BEEDLO Nc1c(F)cccc1C=[NH+]O[C@@H]1CCCCO1 ZINC000848407432 588378535 /nfs/dbraw/zinc/37/85/35/588378535.db2.gz PKGUQHRGYXPYQT-LLVKDONJSA-N 1 2 238.262 2.285 20 30 BEEDLO Nc1c(F)cccc1C=[NH+]O[C@H]1CCCCO1 ZINC000848407433 588378802 /nfs/dbraw/zinc/37/88/02/588378802.db2.gz PKGUQHRGYXPYQT-NSHDSACASA-N 1 2 238.262 2.285 20 30 BEEDLO C[C@]12C[C@H]1CCCC2=NNCCCn1cc[nH+]c1 ZINC000848417372 588381369 /nfs/dbraw/zinc/38/13/69/588381369.db2.gz XBMCRHKYRHVXJY-OCCSQVGLSA-N 1 2 246.358 2.429 20 30 BEEDLO CC[C@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000848419171 588382139 /nfs/dbraw/zinc/38/21/39/588382139.db2.gz VBUZOQHEBWLIJW-LBPRGKRZSA-N 1 2 234.347 2.429 20 30 BEEDLO c1cn(CCCN=NC2CC3(CCC3)C2)c[nH+]1 ZINC000848418603 588382521 /nfs/dbraw/zinc/38/25/21/588382521.db2.gz OGOKRMZROKAKQP-UHFFFAOYSA-N 1 2 232.331 2.183 20 30 BEEDLO C#C[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000848751178 588411606 /nfs/dbraw/zinc/41/16/06/588411606.db2.gz XIOOIIHCISSQQN-NSHDSACASA-N 1 2 227.311 2.204 20 30 BEEDLO C#C[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000848751177 588411683 /nfs/dbraw/zinc/41/16/83/588411683.db2.gz XIOOIIHCISSQQN-LLVKDONJSA-N 1 2 227.311 2.204 20 30 BEEDLO CCc1cccc(C[NH+]2CC(C)(C#N)C2)c1O ZINC000848914152 588419864 /nfs/dbraw/zinc/41/98/64/588419864.db2.gz FHPTXBDLFHOFNP-UHFFFAOYSA-N 1 2 230.311 2.300 20 30 BEEDLO C=CCOCCC/[NH+]=C/c1ccccc1O ZINC000849172130 588460031 /nfs/dbraw/zinc/46/00/31/588460031.db2.gz MPEQQKMWWXHOKI-SDNWHVSQSA-N 1 2 219.284 2.404 20 30 BEEDLO N#CC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000108857539 588494983 /nfs/dbraw/zinc/49/49/83/588494983.db2.gz JCWYHOOCINDYBM-UHFFFAOYSA-N 1 2 245.326 2.289 20 30 BEEDLO Cc1ccc(C[NH2+]CC2(C#N)CCCCC2)nn1 ZINC000850391263 588543234 /nfs/dbraw/zinc/54/32/34/588543234.db2.gz KECHQMRMHJHYQF-UHFFFAOYSA-N 1 2 244.342 2.349 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C)oc1C ZINC000851987011 588651960 /nfs/dbraw/zinc/65/19/60/588651960.db2.gz RKFSIHXMHRBDEL-UHFFFAOYSA-N 1 2 206.289 2.135 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C)oc1C ZINC000851987011 588651961 /nfs/dbraw/zinc/65/19/61/588651961.db2.gz RKFSIHXMHRBDEL-UHFFFAOYSA-N 1 2 206.289 2.135 20 30 BEEDLO C#CCN(Cc1cn(C)c[nH+]1)Cc1ccccc1 ZINC000852046041 588657574 /nfs/dbraw/zinc/65/75/74/588657574.db2.gz NZOGYSSXNSGUNC-UHFFFAOYSA-N 1 2 239.322 2.056 20 30 BEEDLO C#CC[N@@H+](Cc1cn(C)cn1)Cc1ccccc1 ZINC000852046041 588657575 /nfs/dbraw/zinc/65/75/75/588657575.db2.gz NZOGYSSXNSGUNC-UHFFFAOYSA-N 1 2 239.322 2.056 20 30 BEEDLO C#CC[N@H+](Cc1cn(C)cn1)Cc1ccccc1 ZINC000852046041 588657576 /nfs/dbraw/zinc/65/75/76/588657576.db2.gz NZOGYSSXNSGUNC-UHFFFAOYSA-N 1 2 239.322 2.056 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](CC)CC(F)F ZINC000852163050 588668495 /nfs/dbraw/zinc/66/84/95/588668495.db2.gz WYLUTXZUMBCHKS-QWRGUYRKSA-N 1 2 231.286 2.002 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](CC)CC(F)F ZINC000852163050 588668496 /nfs/dbraw/zinc/66/84/96/588668496.db2.gz WYLUTXZUMBCHKS-QWRGUYRKSA-N 1 2 231.286 2.002 20 30 BEEDLO C#CCOCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000852163277 588668985 /nfs/dbraw/zinc/66/89/85/588668985.db2.gz XKRPJKGNESPJNE-UHFFFAOYSA-N 1 2 235.714 2.305 20 30 BEEDLO C#CCOCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000852163277 588668986 /nfs/dbraw/zinc/66/89/86/588668986.db2.gz XKRPJKGNESPJNE-UHFFFAOYSA-N 1 2 235.714 2.305 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000852324127 588678766 /nfs/dbraw/zinc/67/87/66/588678766.db2.gz PWBVNLPRMPOZAF-LLVKDONJSA-N 1 2 215.724 2.240 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000852324127 588678767 /nfs/dbraw/zinc/67/87/67/588678767.db2.gz PWBVNLPRMPOZAF-LLVKDONJSA-N 1 2 215.724 2.240 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](CC2(Br)CC2)C1 ZINC000852687056 588696258 /nfs/dbraw/zinc/69/62/58/588696258.db2.gz OUDPBFSRPNVJBS-VIFPVBQESA-N 1 2 243.148 2.149 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](CC2(Br)CC2)C1 ZINC000852687056 588696259 /nfs/dbraw/zinc/69/62/59/588696259.db2.gz OUDPBFSRPNVJBS-VIFPVBQESA-N 1 2 243.148 2.149 20 30 BEEDLO Cc1c[nH]c(CN(CCC#N)CC(C)C)[nH+]1 ZINC000862212197 589194447 /nfs/dbraw/zinc/19/44/47/589194447.db2.gz IFKMDDLLPPTUIJ-UHFFFAOYSA-N 1 2 220.320 2.090 20 30 BEEDLO C#CCN(Cc1[nH]c(C)c(C)[nH+]1)C1CCCC1 ZINC000862250095 589197680 /nfs/dbraw/zinc/19/76/80/589197680.db2.gz DNKAPEUQEBPIHS-UHFFFAOYSA-N 1 2 231.343 2.404 20 30 BEEDLO C#CC[N@H+](Cc1cnc(C2CC2)o1)C1CC1 ZINC000862325714 589201243 /nfs/dbraw/zinc/20/12/43/589201243.db2.gz FMRAXXHHOPZHIL-UHFFFAOYSA-N 1 2 216.284 2.150 20 30 BEEDLO C#CC[N@@H+](Cc1cnc(C2CC2)o1)C1CC1 ZINC000862325714 589201245 /nfs/dbraw/zinc/20/12/45/589201245.db2.gz FMRAXXHHOPZHIL-UHFFFAOYSA-N 1 2 216.284 2.150 20 30 BEEDLO CN(C)c1cc(F)c(C=[NH+]NC2CC2)cc1F ZINC000863106437 589256587 /nfs/dbraw/zinc/25/65/87/589256587.db2.gz ANCMOGYNLKBUMZ-UHFFFAOYSA-N 1 2 239.269 2.117 20 30 BEEDLO C[C@@H]1C[C@H]1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000863453528 589288745 /nfs/dbraw/zinc/28/87/45/589288745.db2.gz ANSBPXKDNBVILM-SCZZXKLOSA-N 1 2 222.263 2.119 20 30 BEEDLO C=C(C)CCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863478061 589292001 /nfs/dbraw/zinc/29/20/01/589292001.db2.gz IOADVXOXLGXRQA-UHFFFAOYSA-N 1 2 226.320 2.410 20 30 BEEDLO C[C@H](C#N)OCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376385 589428494 /nfs/dbraw/zinc/42/84/94/589428494.db2.gz LHSNTOBYFRDQTM-SNVBAGLBSA-N 1 2 221.304 2.109 20 30 BEEDLO C[C@@H](O)c1ccc(NCCCCC#N)[nH+]c1 ZINC000865509939 589442327 /nfs/dbraw/zinc/44/23/27/589442327.db2.gz PFKXQVTWCQTCJI-SNVBAGLBSA-N 1 2 219.288 2.241 20 30 BEEDLO C#CCCCNc1cc(NCCC)[nH+]cn1 ZINC000865564986 589446751 /nfs/dbraw/zinc/44/67/51/589446751.db2.gz IFEOUBMNWLGMSE-UHFFFAOYSA-N 1 2 218.304 2.124 20 30 BEEDLO C#CCCCNc1cc(NCCC)nc[nH+]1 ZINC000865564986 589446752 /nfs/dbraw/zinc/44/67/52/589446752.db2.gz IFEOUBMNWLGMSE-UHFFFAOYSA-N 1 2 218.304 2.124 20 30 BEEDLO C=CCOCCNc1cc(CC(C)C)[nH+]cn1 ZINC000865666558 589455245 /nfs/dbraw/zinc/45/52/45/589455245.db2.gz JEEALIKILSVXOW-UHFFFAOYSA-N 1 2 235.331 2.290 20 30 BEEDLO C=C(C)CN(C)c1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865663386 589455310 /nfs/dbraw/zinc/45/53/10/589455310.db2.gz QLWUGASEQSGOBT-UHFFFAOYSA-N 1 2 247.346 2.124 20 30 BEEDLO C=C(C)CN(C)c1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865663386 589455311 /nfs/dbraw/zinc/45/53/11/589455311.db2.gz QLWUGASEQSGOBT-UHFFFAOYSA-N 1 2 247.346 2.124 20 30 BEEDLO C#CC[C@H]1CCCN(c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000865900217 589467748 /nfs/dbraw/zinc/46/77/48/589467748.db2.gz WXEVHNVWWNRTJD-STQMWFEESA-N 1 2 244.338 2.375 20 30 BEEDLO C[C@H]([NH2+]C[C@H]1CCCO1)c1cccc(C#N)c1O ZINC000866214403 589480905 /nfs/dbraw/zinc/48/09/05/589480905.db2.gz OIJOASQVGJLXAV-CMPLNLGQSA-N 1 2 246.310 2.093 20 30 BEEDLO C[C@H]([NH2+]C1CCOCC1)c1cccc(C#N)c1O ZINC000866238076 589482154 /nfs/dbraw/zinc/48/21/54/589482154.db2.gz INUQCFBHMVSYTB-JTQLQIEISA-N 1 2 246.310 2.093 20 30 BEEDLO CC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866272079 589483772 /nfs/dbraw/zinc/48/37/72/589483772.db2.gz RZEUAJHASQSBIY-JQWIXIFHSA-N 1 2 248.326 2.075 20 30 BEEDLO C[C@@H]([NH2+][C@@H](C)CCCO)c1cccc(C#N)c1O ZINC000866282262 589484103 /nfs/dbraw/zinc/48/41/03/589484103.db2.gz GZACMRDUNGKWQE-WDEREUQCSA-N 1 2 248.326 2.075 20 30 BEEDLO CC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866287871 589484273 /nfs/dbraw/zinc/48/42/73/589484273.db2.gz RLRSZQSDNFUNRT-CMPLNLGQSA-N 1 2 248.326 2.075 20 30 BEEDLO CC[C@H](O)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866287874 589484302 /nfs/dbraw/zinc/48/43/02/589484302.db2.gz RLRSZQSDNFUNRT-PWSUYJOCSA-N 1 2 248.326 2.075 20 30 BEEDLO C[C@H]([NH2+][C@H]1CC12CC2)c1cccc(C#N)c1O ZINC000866379734 589489107 /nfs/dbraw/zinc/48/91/07/589489107.db2.gz RRURETNWEGKFCX-CABZTGNLSA-N 1 2 228.295 2.467 20 30 BEEDLO N#CCCSCc1[nH+]ccn1CC(F)F ZINC000871676308 589788125 /nfs/dbraw/zinc/78/81/25/589788125.db2.gz ROBOMGDSVGWSJA-UHFFFAOYSA-N 1 2 231.271 2.295 20 30 BEEDLO N#Cc1ccc(CSCCn2cc[nH+]c2)o1 ZINC000871709038 589796301 /nfs/dbraw/zinc/79/63/01/589796301.db2.gz WGPPLTCKYPRLLC-UHFFFAOYSA-N 1 2 233.296 2.281 20 30 BEEDLO C[C@@H]1CCCCN1N=Cc1c[nH]c2nc[nH+]cc12 ZINC000872388360 589931054 /nfs/dbraw/zinc/93/10/54/589931054.db2.gz GNEJSXYTLYXWRW-SNVBAGLBSA-N 1 2 243.314 2.118 20 30 BEEDLO c1c[nH+]c2c(c1)CCC(=NN1CCC1)CC2 ZINC000872398188 589934175 /nfs/dbraw/zinc/93/41/75/589934175.db2.gz IUKPJQOTAUIKHM-UHFFFAOYSA-N 1 2 215.300 2.022 20 30 BEEDLO CC(=O)Oc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000124441423 590006086 /nfs/dbraw/zinc/00/60/86/590006086.db2.gz IWXMNLDDVIICBL-LLVKDONJSA-N 1 2 246.310 2.346 20 30 BEEDLO CC(=O)Oc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000124441423 590006087 /nfs/dbraw/zinc/00/60/87/590006087.db2.gz IWXMNLDDVIICBL-LLVKDONJSA-N 1 2 246.310 2.346 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000877363871 590319538 /nfs/dbraw/zinc/31/95/38/590319538.db2.gz IULLKOOEJHZKNF-SECBINFHSA-N 1 2 245.282 2.315 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(Cl)cs1 ZINC000877480225 590336714 /nfs/dbraw/zinc/33/67/14/590336714.db2.gz NXRGNFYANOOTKF-SSDOTTSWSA-N 1 2 214.721 2.250 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(Cl)cs1 ZINC000877480225 590336717 /nfs/dbraw/zinc/33/67/17/590336717.db2.gz NXRGNFYANOOTKF-SSDOTTSWSA-N 1 2 214.721 2.250 20 30 BEEDLO CCOc1cccc(F)c1C[NH2+]CCC#N ZINC000877482553 590337927 /nfs/dbraw/zinc/33/79/27/590337927.db2.gz CCKYGZYCTPCMKQ-UHFFFAOYSA-N 1 2 222.263 2.228 20 30 BEEDLO CSC(C)(C)CC[NH+]1CC(C)(C#N)C1 ZINC000877580324 590364196 /nfs/dbraw/zinc/36/41/96/590364196.db2.gz QUFGRRCWJOGTOD-UHFFFAOYSA-N 1 2 212.362 2.364 20 30 BEEDLO C#CCCCCCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000877625127 590377419 /nfs/dbraw/zinc/37/74/19/590377419.db2.gz WCOYEOOKXHJERR-LBPRGKRZSA-N 1 2 245.313 2.272 20 30 BEEDLO C#CCCCCCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000877625127 590377422 /nfs/dbraw/zinc/37/74/22/590377422.db2.gz WCOYEOOKXHJERR-LBPRGKRZSA-N 1 2 245.313 2.272 20 30 BEEDLO C=C(Cl)C[C@H]([NH2+]C[C@@H]1C[C@H]1C)C(=O)OCC ZINC000877672082 590389336 /nfs/dbraw/zinc/38/93/36/590389336.db2.gz VXFFIFRKPPCVMI-MIMYLULJSA-N 1 2 245.750 2.306 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccsc1 ZINC000877920915 590447644 /nfs/dbraw/zinc/44/76/44/590447644.db2.gz BMGMZZIWNMBWTQ-NSHDSACASA-N 1 2 239.340 2.298 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccsc1 ZINC000877920915 590447645 /nfs/dbraw/zinc/44/76/45/590447645.db2.gz BMGMZZIWNMBWTQ-NSHDSACASA-N 1 2 239.340 2.298 20 30 BEEDLO C[N@@H+](CC#N)CC[C@H]1CCCC1(F)F ZINC000878043095 590479084 /nfs/dbraw/zinc/47/90/84/590479084.db2.gz QHWBIUXWFFCRHG-SECBINFHSA-N 1 2 202.248 2.267 20 30 BEEDLO C[N@H+](CC#N)CC[C@H]1CCCC1(F)F ZINC000878043095 590479086 /nfs/dbraw/zinc/47/90/86/590479086.db2.gz QHWBIUXWFFCRHG-SECBINFHSA-N 1 2 202.248 2.267 20 30 BEEDLO C=CC[N@@H+](C)Cc1scnc1Cl ZINC000878460695 590570164 /nfs/dbraw/zinc/57/01/64/590570164.db2.gz CFTKBNPHELFWJX-UHFFFAOYSA-N 1 2 202.710 2.414 20 30 BEEDLO C=CC[N@H+](C)Cc1scnc1Cl ZINC000878460695 590570166 /nfs/dbraw/zinc/57/01/66/590570166.db2.gz CFTKBNPHELFWJX-UHFFFAOYSA-N 1 2 202.710 2.414 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1scnc1Cl ZINC000878503085 590581765 /nfs/dbraw/zinc/58/17/65/590581765.db2.gz MOTZCIOYISAJJJ-UHFFFAOYSA-N 1 2 246.763 2.431 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1scnc1Cl ZINC000878503085 590581767 /nfs/dbraw/zinc/58/17/67/590581767.db2.gz MOTZCIOYISAJJJ-UHFFFAOYSA-N 1 2 246.763 2.431 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H]1CC2(CCC2)CO1 ZINC000878639331 590598909 /nfs/dbraw/zinc/59/89/09/590598909.db2.gz HXKJNCIFLHDACA-ZDUSSCGKSA-N 1 2 234.343 2.347 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CC2(CCC2)CO1 ZINC000878639331 590598911 /nfs/dbraw/zinc/59/89/11/590598911.db2.gz HXKJNCIFLHDACA-ZDUSSCGKSA-N 1 2 234.343 2.347 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878656427 590602972 /nfs/dbraw/zinc/60/29/72/590602972.db2.gz OWJDWTLGEFFNSL-UHFFFAOYSA-N 1 2 218.300 2.009 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878656427 590602973 /nfs/dbraw/zinc/60/29/73/590602973.db2.gz OWJDWTLGEFFNSL-UHFFFAOYSA-N 1 2 218.300 2.009 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000878705535 590613173 /nfs/dbraw/zinc/61/31/73/590613173.db2.gz ZNFVIEADKMUZPK-VXGBXAGGSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000878705535 590613175 /nfs/dbraw/zinc/61/31/75/590613175.db2.gz ZNFVIEADKMUZPK-VXGBXAGGSA-N 1 2 243.297 2.146 20 30 BEEDLO C=CC[C@H]([NH2+]C1(C2CCC2)CC1)C(=O)OC ZINC000878808100 590626582 /nfs/dbraw/zinc/62/65/82/590626582.db2.gz YEVAUMUNNBFCLA-NSHDSACASA-N 1 2 223.316 2.026 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000878844228 590631604 /nfs/dbraw/zinc/63/16/04/590631604.db2.gz UFEAHUJULWUCER-GFCCVEGCSA-N 1 2 245.297 2.354 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000878844228 590631606 /nfs/dbraw/zinc/63/16/06/590631606.db2.gz UFEAHUJULWUCER-GFCCVEGCSA-N 1 2 245.297 2.354 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](CC(F)(F)CC)C1 ZINC000878844016 590632053 /nfs/dbraw/zinc/63/20/53/590632053.db2.gz OOTIHJBGZBBXHE-SNVBAGLBSA-N 1 2 201.260 2.377 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](CC(F)(F)CC)C1 ZINC000878844016 590632056 /nfs/dbraw/zinc/63/20/56/590632056.db2.gz OOTIHJBGZBBXHE-SNVBAGLBSA-N 1 2 201.260 2.377 20 30 BEEDLO C#CCN(Cc1[nH+]ccn1C(C)C)C1CSC1 ZINC000878911431 590648746 /nfs/dbraw/zinc/64/87/46/590648746.db2.gz LUZXXCSDPXRRMY-UHFFFAOYSA-N 1 2 249.383 2.015 20 30 BEEDLO CCOC(C[N@H+](C)[C@H]1CCC[C@@H]1C#N)OCC ZINC000879310977 590735356 /nfs/dbraw/zinc/73/53/56/590735356.db2.gz LSTVEFQBEULTJM-NEPJUHHUSA-N 1 2 240.347 2.010 20 30 BEEDLO CCOC(C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)OCC ZINC000879310977 590735357 /nfs/dbraw/zinc/73/53/57/590735357.db2.gz LSTVEFQBEULTJM-NEPJUHHUSA-N 1 2 240.347 2.010 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCC[C@H](CF)C2)n1 ZINC000880237275 590967923 /nfs/dbraw/zinc/96/79/23/590967923.db2.gz AOMXNNJYHJUGRS-SECBINFHSA-N 1 2 239.319 2.196 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](CF)C2)n1 ZINC000880237275 590967925 /nfs/dbraw/zinc/96/79/25/590967925.db2.gz AOMXNNJYHJUGRS-SECBINFHSA-N 1 2 239.319 2.196 20 30 BEEDLO C#CCC1(O)CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000880481533 591056027 /nfs/dbraw/zinc/05/60/27/591056027.db2.gz VWFUJOPMTNQIJW-CSKARUKUSA-N 1 2 248.153 2.156 20 30 BEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](C)C(C)(C)C)nn1 ZINC000881325238 591191625 /nfs/dbraw/zinc/19/16/25/591191625.db2.gz FOASYWBZAKIIML-GFCCVEGCSA-N 1 2 248.374 2.073 20 30 BEEDLO C=C(C)C[C@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000883006133 591507224 /nfs/dbraw/zinc/50/72/24/591507224.db2.gz KDEOXWBRVAXLGG-SNVBAGLBSA-N 1 2 246.314 2.005 20 30 BEEDLO C=C(C)C[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000883007049 591508524 /nfs/dbraw/zinc/50/85/24/591508524.db2.gz KJWWPSWAKUYAOX-LBPRGKRZSA-N 1 2 247.342 2.401 20 30 BEEDLO C=CCC[C@H]([NH2+]Cc1ccn[nH]1)[C@H]1CCCO1 ZINC000883187448 591566763 /nfs/dbraw/zinc/56/67/63/591566763.db2.gz OHOGFKZMODVYER-QWHCGFSZSA-N 1 2 235.331 2.013 20 30 BEEDLO C=CCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000131566929 591623938 /nfs/dbraw/zinc/62/39/38/591623938.db2.gz FYYPYVLJZXCAOH-UHFFFAOYSA-N 1 2 210.664 2.163 20 30 BEEDLO C#Cc1ccc(C[NH2+][C@@H](C)C(F)F)cc1 ZINC000883407263 591650211 /nfs/dbraw/zinc/65/02/11/591650211.db2.gz PYJMWPSLCONTIZ-VIFPVBQESA-N 1 2 209.239 2.411 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1N1C[C@@H]2C[C@@H]2C1 ZINC000884591648 591990363 /nfs/dbraw/zinc/99/03/63/591990363.db2.gz WGXROKDCFHPGHJ-BETUJISGSA-N 1 2 242.322 2.330 20 30 BEEDLO C#CC[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000884594152 591990960 /nfs/dbraw/zinc/99/09/60/591990960.db2.gz ASUAQKVQVNZYQI-NSHDSACASA-N 1 2 227.311 2.204 20 30 BEEDLO C=CC(C)(C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000884649380 592003309 /nfs/dbraw/zinc/00/33/09/592003309.db2.gz BQTRAXVUKWGSLK-UHFFFAOYSA-N 1 2 234.299 2.309 20 30 BEEDLO C=CC(C)(C)CC(=O)OCCn1cc[nH+]c1 ZINC000884649847 592003289 /nfs/dbraw/zinc/00/32/89/592003289.db2.gz QVEVIDKMBSZHMM-UHFFFAOYSA-N 1 2 222.288 2.029 20 30 BEEDLO CC1(C)CCC[N@H+](C[C@@H]2C[C@]23CCOC3)[C@@H]1C#N ZINC000886173074 592169111 /nfs/dbraw/zinc/16/91/11/592169111.db2.gz FMMFETFJNWXAFN-GUTXKFCHSA-N 1 2 248.370 2.427 20 30 BEEDLO CC1(C)CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)[C@@H]1C#N ZINC000886173074 592169112 /nfs/dbraw/zinc/16/91/12/592169112.db2.gz FMMFETFJNWXAFN-GUTXKFCHSA-N 1 2 248.370 2.427 20 30 BEEDLO COc1cccc(/C=[NH+]/C[C@H]2C[C@H](OC)C2)c1O ZINC000887268463 592473326 /nfs/dbraw/zinc/47/33/26/592473326.db2.gz MSRFVHOKAGVWQZ-NTFNZPQYSA-N 1 2 249.310 2.245 20 30 BEEDLO C=C/C=C\CC/[NH+]=C\c1c(O)c(C)ncc1CO ZINC000887268365 592473407 /nfs/dbraw/zinc/47/34/07/592473407.db2.gz JOMXPERKODXTGA-UVEITJCJSA-N 1 2 246.310 2.139 20 30 BEEDLO Oc1cccc(/C=[NH+]/C[C@@H]2C=CCC2)c1O ZINC000887268609 592473426 /nfs/dbraw/zinc/47/34/26/592473426.db2.gz PVJNDLNVZWTYQO-GMROUXNLSA-N 1 2 217.268 2.483 20 30 BEEDLO C=C(CC)C[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933325435 631251033 /nfs/dbraw/zinc/25/10/33/631251033.db2.gz MQXIFRUVVCPXAU-CQSZACIVSA-N 1 2 244.338 2.126 20 30 BEEDLO C=C(CC)C[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC000933325435 631251038 /nfs/dbraw/zinc/25/10/38/631251038.db2.gz MQXIFRUVVCPXAU-CQSZACIVSA-N 1 2 244.338 2.126 20 30 BEEDLO CC(=[NH+]OCC(C)C)c1csc(N)n1 ZINC000308592685 631436172 /nfs/dbraw/zinc/43/61/72/631436172.db2.gz WLCFHEMPRSJHPF-UHFFFAOYSA-N 1 2 213.306 2.122 20 30 BEEDLO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@](C)(C#N)C1 ZINC000933609716 631459243 /nfs/dbraw/zinc/45/92/43/631459243.db2.gz QKIPCUSFPFAHMV-MGPQQGTHSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@](C)(C#N)C1 ZINC000933609716 631459246 /nfs/dbraw/zinc/45/92/46/631459246.db2.gz QKIPCUSFPFAHMV-MGPQQGTHSA-N 1 2 236.359 2.427 20 30 BEEDLO CC[C@@H]([NH2+]C[C@H](C)OC)c1cccc(C#N)c1O ZINC000926244343 631494255 /nfs/dbraw/zinc/49/42/55/631494255.db2.gz JCCIHIRJNGWJBF-GXFFZTMASA-N 1 2 248.326 2.339 20 30 BEEDLO Oc1ccccc1/C=[NH+]\C[C@@H]1CCCOC1 ZINC000255442807 631711147 /nfs/dbraw/zinc/71/11/47/631711147.db2.gz HUYHVHYXPSAUPB-HOXUKUGESA-N 1 2 219.284 2.238 20 30 BEEDLO CCOc1ccc(O)c(/C=[NH+]\CCCOC)c1 ZINC000255486183 631767885 /nfs/dbraw/zinc/76/78/85/631767885.db2.gz MJUCABUOTQMTAD-UVTDQMKNSA-N 1 2 237.299 2.246 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1ccc(Cl)nn1 ZINC000934458927 631847639 /nfs/dbraw/zinc/84/76/39/631847639.db2.gz GBELQVOWRQCWRA-SNVBAGLBSA-N 1 2 223.707 2.280 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000934458927 631847644 /nfs/dbraw/zinc/84/76/44/631847644.db2.gz GBELQVOWRQCWRA-SNVBAGLBSA-N 1 2 223.707 2.280 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1ncnn1CC(C)C ZINC000934458992 631847837 /nfs/dbraw/zinc/84/78/37/631847837.db2.gz AJJWSADCZRPKNZ-LBPRGKRZSA-N 1 2 234.347 2.085 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1ncnn1CC(C)C ZINC000934458992 631847841 /nfs/dbraw/zinc/84/78/41/631847841.db2.gz AJJWSADCZRPKNZ-LBPRGKRZSA-N 1 2 234.347 2.085 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc2n1CCCCC2 ZINC000934463492 631857576 /nfs/dbraw/zinc/85/75/76/631857576.db2.gz JBCFBISUQZKKPX-LBPRGKRZSA-N 1 2 246.358 2.155 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc2n1CCCCC2 ZINC000934463492 631857580 /nfs/dbraw/zinc/85/75/80/631857580.db2.gz JBCFBISUQZKKPX-LBPRGKRZSA-N 1 2 246.358 2.155 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccncc1F ZINC000934514875 631896448 /nfs/dbraw/zinc/89/64/48/631896448.db2.gz CVUBXBMDYHFJRR-LBPRGKRZSA-N 1 2 218.275 2.208 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccncc1F ZINC000934514875 631896451 /nfs/dbraw/zinc/89/64/51/631896451.db2.gz CVUBXBMDYHFJRR-LBPRGKRZSA-N 1 2 218.275 2.208 20 30 BEEDLO C=CCCC[N@@H+](CC)Cc1cnsn1 ZINC000934646543 632001338 /nfs/dbraw/zinc/00/13/38/632001338.db2.gz HNURHFGWOWHTDE-UHFFFAOYSA-N 1 2 211.334 2.326 20 30 BEEDLO C=CCCC[N@H+](CC)Cc1cnsn1 ZINC000934646543 632001345 /nfs/dbraw/zinc/00/13/45/632001345.db2.gz HNURHFGWOWHTDE-UHFFFAOYSA-N 1 2 211.334 2.326 20 30 BEEDLO C=C(Br)C[NH2+][C@@H](CC)CC#N ZINC000168268896 632457024 /nfs/dbraw/zinc/45/70/24/632457024.db2.gz SNXLCUYNIZMUBC-QMMMGPOBSA-N 1 2 217.110 2.177 20 30 BEEDLO NC(Cc1ccccc1)=[NH+]OCc1nccs1 ZINC000161269912 633002880 /nfs/dbraw/zinc/00/28/80/633002880.db2.gz UTMFSTWOOWPTRO-UHFFFAOYSA-N 1 2 247.323 2.175 20 30 BEEDLO CC[C@H]([NH2+]CC[C@H](C)O)c1cccc(C#N)c1O ZINC000925074721 635904076 /nfs/dbraw/zinc/90/40/76/635904076.db2.gz XOYWHIBECFETMT-GWCFXTLKSA-N 1 2 248.326 2.075 20 30 BEEDLO C=C[C@@H](CC)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000909522827 636157095 /nfs/dbraw/zinc/15/70/95/636157095.db2.gz SKEHPTMWPZENAB-JTQLQIEISA-N 1 2 234.299 2.309 20 30 BEEDLO Cc1nc(CO[NH+]=C(N)c2ccccc2)cs1 ZINC000195166326 634352417 /nfs/dbraw/zinc/35/24/17/634352417.db2.gz LRDQVIHNISUQDG-UHFFFAOYSA-N 1 2 247.323 2.289 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000893606531 635229369 /nfs/dbraw/zinc/22/93/69/635229369.db2.gz QLABXPSDOVKEBZ-CQSZACIVSA-N 1 2 246.358 2.465 20 30 BEEDLO COc1ccc(C[NH2+]CCC#N)c(Cl)c1 ZINC000258998617 635232855 /nfs/dbraw/zinc/23/28/55/635232855.db2.gz YOSCBIIDLOZGBV-UHFFFAOYSA-N 1 2 224.691 2.352 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1cc(OC)cc(C)n1 ZINC000162979357 635279045 /nfs/dbraw/zinc/27/90/45/635279045.db2.gz JQDDZXNHNLOOHW-UHFFFAOYSA-N 1 2 226.707 2.241 20 30 BEEDLO C=CCCCN(CC)c1[nH+]cnc2c1cnn2C ZINC000897399471 636586405 /nfs/dbraw/zinc/58/64/05/636586405.db2.gz NMMRXDKTSVKLBR-UHFFFAOYSA-N 1 2 245.330 2.156 20 30 BEEDLO Cn1c[nH+]cc1/C=C1\CCc2scnc2C1=O ZINC000901543806 637260747 /nfs/dbraw/zinc/26/07/47/637260747.db2.gz QARDEEQLBWHKIU-XBXARRHUSA-N 1 2 245.307 2.089 20 30 BEEDLO Cc1[nH]c(/C=C2/C(=O)c3nccn3[C@H]2C)[nH+]c1C ZINC000901566528 637261491 /nfs/dbraw/zinc/26/14/91/637261491.db2.gz UVQRWTJBFKKHEY-CMWXKVOJSA-N 1 2 242.282 2.064 20 30 BEEDLO C=CC[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000905189617 637669517 /nfs/dbraw/zinc/66/95/17/637669517.db2.gz NTWATEWVAMCUGJ-MRXNPFEDSA-N 1 2 234.324 2.077 20 30 BEEDLO CC(=NNC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000905460672 637824860 /nfs/dbraw/zinc/82/48/60/637824860.db2.gz RFKRKHXDJZLPIR-UHFFFAOYSA-N 1 2 240.310 2.348 20 30 BEEDLO C=CC[C@H]([NH2+]CCSCC(C)C)C(=O)OC ZINC000905761999 637916611 /nfs/dbraw/zinc/91/66/11/637916611.db2.gz KSGFRSAWDCSLIQ-NSHDSACASA-N 1 2 245.388 2.083 20 30 BEEDLO C=CC[C@H]([NH2+][C@H]1CC12CCCCC2)C(=O)OC ZINC000905762957 637919484 /nfs/dbraw/zinc/91/94/84/637919484.db2.gz PYVGIUXNQCKDKZ-RYUDHWBXSA-N 1 2 237.343 2.417 20 30 BEEDLO C=CC[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C(=O)OC ZINC000905768554 637922693 /nfs/dbraw/zinc/92/26/93/637922693.db2.gz TYBNTDOSKCRXSJ-ZJUUUORDSA-N 1 2 247.285 2.272 20 30 BEEDLO CC[C@H](C#N)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906482435 638177788 /nfs/dbraw/zinc/17/77/88/638177788.db2.gz TVGAIFJZUISTPD-LLVKDONJSA-N 1 2 231.299 2.039 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)CNc1cccc[nH+]1 ZINC000907805558 638472319 /nfs/dbraw/zinc/47/23/19/638472319.db2.gz ABTXMVYEKDMNBI-LBPRGKRZSA-N 1 2 245.326 2.061 20 30 BEEDLO C=CCC(C)(C)CNC(=O)CNc1cccc[nH+]1 ZINC000908396458 638693993 /nfs/dbraw/zinc/69/39/93/638693993.db2.gz GQTZTDNXYBWWGM-UHFFFAOYSA-N 1 2 247.342 2.212 20 30 BEEDLO C[C@@]1(F)CCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000930595242 639815576 /nfs/dbraw/zinc/81/55/76/639815576.db2.gz PTJUNFBFVNFVDG-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@@]1(F)CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000930595242 639815577 /nfs/dbraw/zinc/81/55/77/639815577.db2.gz PTJUNFBFVNFVDG-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO C=C1CCN(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000930626060 639828333 /nfs/dbraw/zinc/82/83/33/639828333.db2.gz RDAQGCHBLKOABQ-UHFFFAOYSA-N 1 2 245.326 2.304 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C)cc(C)n1 ZINC000930694086 639864633 /nfs/dbraw/zinc/86/46/33/639864633.db2.gz XEHRLQHPAHGJKS-LBPRGKRZSA-N 1 2 217.316 2.480 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](CCSc2ccncc2)C1 ZINC000931063367 640050515 /nfs/dbraw/zinc/05/05/15/640050515.db2.gz QGGLHKTVGFJQRD-CYBMUJFWSA-N 1 2 247.367 2.409 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](CCSc2ccncc2)C1 ZINC000931063367 640050522 /nfs/dbraw/zinc/05/05/22/640050522.db2.gz QGGLHKTVGFJQRD-CYBMUJFWSA-N 1 2 247.367 2.409 20 30 BEEDLO CN(C)c1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932148130 640441217 /nfs/dbraw/zinc/44/12/17/640441217.db2.gz KQWMMIYMFRGTTP-AWEZNQCLSA-N 1 2 243.354 2.488 20 30 BEEDLO CN(C)c1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932148130 640441221 /nfs/dbraw/zinc/44/12/21/640441221.db2.gz KQWMMIYMFRGTTP-AWEZNQCLSA-N 1 2 243.354 2.488 20 30 BEEDLO C#CC[N@@H+](Cc1occc1C(=O)OC)C(C)(C)C ZINC000932462300 640534388 /nfs/dbraw/zinc/53/43/88/640534388.db2.gz URPOMLCUCFXLOQ-UHFFFAOYSA-N 1 2 249.310 2.300 20 30 BEEDLO C#CC[N@H+](Cc1occc1C(=O)OC)C(C)(C)C ZINC000932462300 640534396 /nfs/dbraw/zinc/53/43/96/640534396.db2.gz URPOMLCUCFXLOQ-UHFFFAOYSA-N 1 2 249.310 2.300 20 30 BEEDLO C#CC[N@@H+](Cc1nnc(C)n1CCC)C(C)(C)C ZINC000932462600 640536073 /nfs/dbraw/zinc/53/60/73/640536073.db2.gz AKSRMYCUTMGBPC-UHFFFAOYSA-N 1 2 248.374 2.230 20 30 BEEDLO C#CC[N@H+](Cc1nnc(C)n1CCC)C(C)(C)C ZINC000932462600 640536076 /nfs/dbraw/zinc/53/60/76/640536076.db2.gz AKSRMYCUTMGBPC-UHFFFAOYSA-N 1 2 248.374 2.230 20 30 BEEDLO C=C[C@H](CC)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000932606655 640581732 /nfs/dbraw/zinc/58/17/32/640581732.db2.gz MDFUQDTXDYLOGD-LLVKDONJSA-N 1 2 218.300 2.353 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932601909 640583338 /nfs/dbraw/zinc/58/33/38/640583338.db2.gz XFVZEWVOBVRLTE-UHFFFAOYSA-N 1 2 237.734 2.329 20 30 BEEDLO C=C(Cl)C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932601909 640583343 /nfs/dbraw/zinc/58/33/43/640583343.db2.gz XFVZEWVOBVRLTE-UHFFFAOYSA-N 1 2 237.734 2.329 20 30 BEEDLO CCC#C[C@@H](C)N1CCc2c([nH+]cn2CC)C1 ZINC000933258973 640691422 /nfs/dbraw/zinc/69/14/22/640691422.db2.gz VHWKVIIGLZCMFR-GFCCVEGCSA-N 1 2 231.343 2.063 20 30 BEEDLO C#CCC1([NH2+][C@H](C)C(=O)OCCCC)CCC1 ZINC000933299162 640700534 /nfs/dbraw/zinc/70/05/34/640700534.db2.gz QCDOMPAJYXMUHP-GFCCVEGCSA-N 1 2 237.343 2.254 20 30 BEEDLO NC(Cc1ccccc1)=[NH+]OCC1CCC1 ZINC000157986582 640782174 /nfs/dbraw/zinc/78/21/74/640782174.db2.gz GQFRYPIBBXFLQO-UHFFFAOYSA-N 1 2 218.300 2.318 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1nc(C)cs1 ZINC000934512405 641181533 /nfs/dbraw/zinc/18/15/33/641181533.db2.gz MGTCDWOJPBUEKB-NSHDSACASA-N 1 2 220.341 2.439 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nc(C)cs1 ZINC000934512405 641181541 /nfs/dbraw/zinc/18/15/41/641181541.db2.gz MGTCDWOJPBUEKB-NSHDSACASA-N 1 2 220.341 2.439 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc(OC)ns1 ZINC000934515540 641183688 /nfs/dbraw/zinc/18/36/88/641183688.db2.gz MYMUONQHMTZLTI-JTQLQIEISA-N 1 2 236.340 2.139 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc(OC)ns1 ZINC000934515540 641183694 /nfs/dbraw/zinc/18/36/94/641183694.db2.gz MYMUONQHMTZLTI-JTQLQIEISA-N 1 2 236.340 2.139 20 30 BEEDLO C=CCCC[N@@H+](CC)Cc1csnn1 ZINC000934645606 641229569 /nfs/dbraw/zinc/22/95/69/641229569.db2.gz VKRQHWVOFCMTGF-UHFFFAOYSA-N 1 2 211.334 2.326 20 30 BEEDLO C=CCCC[N@H+](CC)Cc1csnn1 ZINC000934645606 641229580 /nfs/dbraw/zinc/22/95/80/641229580.db2.gz VKRQHWVOFCMTGF-UHFFFAOYSA-N 1 2 211.334 2.326 20 30 BEEDLO C=C[C@H](CC)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000934913789 641301094 /nfs/dbraw/zinc/30/10/94/641301094.db2.gz LAAKXKIEZMBRBP-CYBMUJFWSA-N 1 2 249.358 2.334 20 30 BEEDLO C=C(C)C[NH+]1CCN(C(=O)C(C)(C)CC)CC1 ZINC000949964344 641876303 /nfs/dbraw/zinc/87/63/03/641876303.db2.gz QQWIBPCONYCQLF-UHFFFAOYSA-N 1 2 238.375 2.143 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191479283 641923543 /nfs/dbraw/zinc/92/35/43/641923543.db2.gz CBWAHXBAKOXYKL-ZETCQYMHSA-N 1 2 242.681 2.434 20 30 BEEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC000847022873 642408589 /nfs/dbraw/zinc/40/85/89/642408589.db2.gz YRIQJIBDLHPUOY-ONGXEEELSA-N 1 2 235.356 2.253 20 30 BEEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC000847022873 642408593 /nfs/dbraw/zinc/40/85/93/642408593.db2.gz YRIQJIBDLHPUOY-ONGXEEELSA-N 1 2 235.356 2.253 20 30 BEEDLO O=C1c2ccccc2C/C1=C/c1[nH]cc[nH+]1 ZINC000920240992 642463158 /nfs/dbraw/zinc/46/31/58/642463158.db2.gz JCDKUOVYFABQKF-NTMALXAHSA-N 1 2 210.236 2.232 20 30 BEEDLO C=CCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180775567 642814363 /nfs/dbraw/zinc/81/43/63/642814363.db2.gz VXYAJYPEDAPVTB-UHFFFAOYSA-N 1 2 228.251 2.215 20 30 BEEDLO C=C(C)C[N@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000182618952 643043610 /nfs/dbraw/zinc/04/36/10/643043610.db2.gz XBQBXSSQNBPVQK-AWEZNQCLSA-N 1 2 244.338 2.425 20 30 BEEDLO C=C(C)C[N@@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000182618952 643043617 /nfs/dbraw/zinc/04/36/17/643043617.db2.gz XBQBXSSQNBPVQK-AWEZNQCLSA-N 1 2 244.338 2.425 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000306274172 643312843 /nfs/dbraw/zinc/31/28/43/643312843.db2.gz ARBHVBPHVKSZBD-NXEZZACHSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000306274172 643312849 /nfs/dbraw/zinc/31/28/49/643312849.db2.gz ARBHVBPHVKSZBD-NXEZZACHSA-N 1 2 203.713 2.238 20 30 BEEDLO CSCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000185786462 643383081 /nfs/dbraw/zinc/38/30/81/643383081.db2.gz YWAYCGGFUULBDI-UHFFFAOYSA-N 1 2 242.319 2.134 20 30 BEEDLO N#CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000355133556 643750938 /nfs/dbraw/zinc/75/09/38/643750938.db2.gz NLDGWNKFCUYVOM-UHFFFAOYSA-N 1 2 244.273 2.015 20 30 BEEDLO CC(C)CCO[NH+]=C(N)c1ccccc1 ZINC000085254830 644438864 /nfs/dbraw/zinc/43/88/64/644438864.db2.gz JTFOEPXZFWSQNG-UHFFFAOYSA-N 1 2 206.289 2.370 20 30 BEEDLO CSCCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000742353134 644564814 /nfs/dbraw/zinc/56/48/14/644564814.db2.gz QYEZYSJQFDKDPZ-UHFFFAOYSA-N 1 2 242.319 2.216 20 30 BEEDLO C=C(C)[C@@H]1CC=C(C)C(=NNC2=[NH+][C@H](C)CN2)C1 ZINC000779797763 644715921 /nfs/dbraw/zinc/71/59/21/644715921.db2.gz JAKJPZUOYWMGGZ-VXGBXAGGSA-N 1 2 246.358 2.212 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816568469 644963654 /nfs/dbraw/zinc/96/36/54/644963654.db2.gz HQSAMKWYVQKZKF-SSDOTTSWSA-N 1 2 242.681 2.434 20 30 BEEDLO CCc1nc(C[NH2+]Cc2ccc(C#N)cc2)co1 ZINC000825049716 645060754 /nfs/dbraw/zinc/06/07/54/645060754.db2.gz AUILFSZTJJGAQN-UHFFFAOYSA-N 1 2 241.294 2.398 20 30 BEEDLO C[C@H]([NH2+]Cc1nncs1)c1ccc(C#N)cc1 ZINC000930203109 645127812 /nfs/dbraw/zinc/12/78/12/645127812.db2.gz RPGSSAUNDIRBKF-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO Fc1ccc[nH+]c1NNC=C1CC1(F)F ZINC000834977493 645152237 /nfs/dbraw/zinc/15/22/37/645152237.db2.gz LPQWGYODYNDIDS-ZCFIWIBFSA-N 1 2 215.178 2.274 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(CCCC)no2)C1 ZINC000847031092 645422236 /nfs/dbraw/zinc/42/22/36/645422236.db2.gz SJHHIBTUZACUEO-GFCCVEGCSA-N 1 2 247.342 2.257 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(CCCC)no2)C1 ZINC000847031092 645422245 /nfs/dbraw/zinc/42/22/45/645422245.db2.gz SJHHIBTUZACUEO-GFCCVEGCSA-N 1 2 247.342 2.257 20 30 BEEDLO C[C@H](NCC1(C#N)CC1)c1cn2c([nH+]1)CCCC2 ZINC000926874650 645468165 /nfs/dbraw/zinc/46/81/65/645468165.db2.gz SFHMBNOOXFMKBQ-NSHDSACASA-N 1 2 244.342 2.174 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(O)cc(F)c1 ZINC000926874334 645469582 /nfs/dbraw/zinc/46/95/82/645469582.db2.gz PBNUFVTVUUCMEN-SECBINFHSA-N 1 2 234.274 2.486 20 30 BEEDLO C=CCC1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC000854849480 645512646 /nfs/dbraw/zinc/51/26/46/645512646.db2.gz UILQDDQHOCUGOF-UHFFFAOYSA-N 1 2 247.342 2.205 20 30 BEEDLO C#CC[N@@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000877371930 645793395 /nfs/dbraw/zinc/79/33/95/645793395.db2.gz RJSBJCUKUJIBMN-UHFFFAOYSA-N 1 2 237.249 2.268 20 30 BEEDLO C#CC[N@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000877371930 645793406 /nfs/dbraw/zinc/79/34/06/645793406.db2.gz RJSBJCUKUJIBMN-UHFFFAOYSA-N 1 2 237.249 2.268 20 30 BEEDLO CCC1C[NH+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877578526 645799250 /nfs/dbraw/zinc/79/92/50/645799250.db2.gz DDFRFGVOZPJADD-UHFFFAOYSA-N 1 2 235.718 2.448 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCCc2occc2C1 ZINC000878626811 645822136 /nfs/dbraw/zinc/82/21/36/645822136.db2.gz XGFVNMGGCGLWHE-LBPRGKRZSA-N 1 2 249.310 2.146 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCCc2occc2C1 ZINC000878626811 645822139 /nfs/dbraw/zinc/82/21/39/645822139.db2.gz XGFVNMGGCGLWHE-LBPRGKRZSA-N 1 2 249.310 2.146 20 30 BEEDLO C=CC[N@H+](Cc1noc2c1COCC2)C(C)C ZINC000929292025 646065497 /nfs/dbraw/zinc/06/54/97/646065497.db2.gz FOZRGYPBQGFCJF-UHFFFAOYSA-N 1 2 236.315 2.144 20 30 BEEDLO C=CC[N@@H+](Cc1noc2c1COCC2)C(C)C ZINC000929292025 646065503 /nfs/dbraw/zinc/06/55/03/646065503.db2.gz FOZRGYPBQGFCJF-UHFFFAOYSA-N 1 2 236.315 2.144 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)CCSc1ccncc1 ZINC000929470908 646131407 /nfs/dbraw/zinc/13/14/07/646131407.db2.gz AOLLQFHRNDFMGG-NSHDSACASA-N 1 2 235.356 2.265 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)CCSc1ccncc1 ZINC000929470908 646131412 /nfs/dbraw/zinc/13/14/12/646131412.db2.gz AOLLQFHRNDFMGG-NSHDSACASA-N 1 2 235.356 2.265 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)CCSc1ccncc1 ZINC000929831087 646347016 /nfs/dbraw/zinc/34/70/16/646347016.db2.gz MKWQMMFWCPYVBV-LLVKDONJSA-N 1 2 235.356 2.408 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)CCSc1ccncc1 ZINC000929831087 646347020 /nfs/dbraw/zinc/34/70/20/646347020.db2.gz MKWQMMFWCPYVBV-LLVKDONJSA-N 1 2 235.356 2.408 20 30 BEEDLO N#Cc1cncc(C[NH+]2CC3(C2)CC(F)(F)C3)c1 ZINC000930129029 646451689 /nfs/dbraw/zinc/45/16/89/646451689.db2.gz QFKWACVHFVWGER-UHFFFAOYSA-N 1 2 249.264 2.184 20 30 BEEDLO CC(C)CO[NH+]=C1CCCc2nc(N)sc21 ZINC000382409689 711657778 /nfs/dbraw/zinc/65/77/78/711657778.db2.gz TZTHOZBWCDDOLJ-UHFFFAOYSA-N 1 2 239.344 2.269 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](CCCOC(F)(F)F)C1 ZINC000713439381 712460205 /nfs/dbraw/zinc/46/02/05/712460205.db2.gz FDJLMTGJOGENIJ-VIFPVBQESA-N 1 2 236.237 2.148 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000713439381 712460206 /nfs/dbraw/zinc/46/02/06/712460206.db2.gz FDJLMTGJOGENIJ-VIFPVBQESA-N 1 2 236.237 2.148 20 30 BEEDLO C[C@@H]([NH2+]CCC#N)c1ccc([N+](=O)[O-])cc1 ZINC000037177164 712550560 /nfs/dbraw/zinc/55/05/60/712550560.db2.gz IKPMOWRAJZKPJH-SECBINFHSA-N 1 2 219.244 2.159 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)CC2=CCCCC2)C1 ZINC001042544139 710792159 /nfs/dbraw/zinc/79/21/59/710792159.db2.gz ITQAXGDTJYBLFH-UHFFFAOYSA-N 1 2 248.370 2.206 20 30 BEEDLO C=C(C)CC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000386840231 711037270 /nfs/dbraw/zinc/03/72/70/711037270.db2.gz XNEQQQVALGEWLF-JTQLQIEISA-N 1 2 213.321 2.272 20 30 BEEDLO C#CC[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC000845480370 711484007 /nfs/dbraw/zinc/48/40/07/711484007.db2.gz AHJAPISAHUYSOF-QWHCGFSZSA-N 1 2 248.326 2.425 20 30 BEEDLO C#CC[C@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895079236 711776132 /nfs/dbraw/zinc/77/61/32/711776132.db2.gz WDHBGHXIYDQWMO-ZDUSSCGKSA-N 1 2 231.343 2.262 20 30 BEEDLO C#CC[C@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895079236 711776133 /nfs/dbraw/zinc/77/61/33/711776133.db2.gz WDHBGHXIYDQWMO-ZDUSSCGKSA-N 1 2 231.343 2.262 20 30 BEEDLO C#C[C@@H](CC)[NH2+]Cc1ccc(F)c(F)c1O ZINC000703271472 712069282 /nfs/dbraw/zinc/06/92/82/712069282.db2.gz AQUGBTBVAVHJEV-VIFPVBQESA-N 1 2 225.238 2.172 20 30 BEEDLO C=C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708391029 712191585 /nfs/dbraw/zinc/19/15/85/712191585.db2.gz SNRNAURTWDQHHM-ZETCQYMHSA-N 1 2 213.227 2.335 20 30 BEEDLO N#C[C@H]1CCC[N@H+](CCOCC2CCC2)C1 ZINC000708572795 712213554 /nfs/dbraw/zinc/21/35/54/712213554.db2.gz ZXNZLWUPBUBCBR-CYBMUJFWSA-N 1 2 222.332 2.039 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](CCOCC2CCC2)C1 ZINC000708572795 712213555 /nfs/dbraw/zinc/21/35/55/712213555.db2.gz ZXNZLWUPBUBCBR-CYBMUJFWSA-N 1 2 222.332 2.039 20 30 BEEDLO CC1(C)CC[C@@H](C[N@@H+]2CCC[C@H](C#N)C2)OC1 ZINC000713619855 712467873 /nfs/dbraw/zinc/46/78/73/712467873.db2.gz OVCHBUSTBUFYLZ-OLZOCXBDSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CC[C@@H](C[N@H+]2CCC[C@H](C#N)C2)OC1 ZINC000713619855 712467874 /nfs/dbraw/zinc/46/78/74/712467874.db2.gz OVCHBUSTBUFYLZ-OLZOCXBDSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccns1 ZINC000715932662 712543624 /nfs/dbraw/zinc/54/36/24/712543624.db2.gz PJUMJXDHVSNUFB-MRVPVSSYSA-N 1 2 209.318 2.343 20 30 BEEDLO C[N@H+](CCC#N)C[C@@H]1CCC2(CCC2)CO1 ZINC000716345508 712555801 /nfs/dbraw/zinc/55/58/01/712555801.db2.gz FYILRSLDCMAELN-LBPRGKRZSA-N 1 2 222.332 2.181 20 30 BEEDLO C[N@@H+](CCC#N)C[C@@H]1CCC2(CCC2)CO1 ZINC000716345508 712555802 /nfs/dbraw/zinc/55/58/02/712555802.db2.gz FYILRSLDCMAELN-LBPRGKRZSA-N 1 2 222.332 2.181 20 30 BEEDLO FC(F)C1C[NH+](CC#Cc2ccccc2)C1 ZINC000809558576 712584270 /nfs/dbraw/zinc/58/42/70/712584270.db2.gz ROVNSFXBYZMKEF-UHFFFAOYSA-N 1 2 221.250 2.235 20 30 BEEDLO C=C(Br)C[NH2+]Cc1nc(C)cs1 ZINC000038091484 712807664 /nfs/dbraw/zinc/80/76/64/712807664.db2.gz TWIPNZXYYLIMRG-UHFFFAOYSA-N 1 2 247.161 2.450 20 30 BEEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)C)c(C)nn1 ZINC000720598575 712856777 /nfs/dbraw/zinc/85/67/77/712856777.db2.gz AXBDAJCJQSZQDX-UHFFFAOYSA-N 1 2 246.358 2.465 20 30 BEEDLO Cc1cc(C[N@H+](CCC#N)CC(C)C)c(C)nn1 ZINC000720598575 712856779 /nfs/dbraw/zinc/85/67/79/712856779.db2.gz AXBDAJCJQSZQDX-UHFFFAOYSA-N 1 2 246.358 2.465 20 30 BEEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CCC)C1 ZINC001269209793 962541690 /nfs/dbraw/zinc/54/16/90/962541690.db2.gz YRLMHFXJNUWDGC-LLVKDONJSA-N 1 2 244.766 2.072 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC)C1 ZINC001269209793 962541702 /nfs/dbraw/zinc/54/17/02/962541702.db2.gz YRLMHFXJNUWDGC-LLVKDONJSA-N 1 2 244.766 2.072 20 30 BEEDLO CC(C)C[C@](C)(C#N)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168100867 963710120 /nfs/dbraw/zinc/71/01/20/963710120.db2.gz FPCNUHMFMZTAIQ-RWMBFGLXSA-N 1 2 224.348 2.472 20 30 BEEDLO N#CCc1ccc[nH+]c1NC[C@H]1C[C@H](F)C1 ZINC001168235064 964024489 /nfs/dbraw/zinc/02/44/89/964024489.db2.gz WIIJVBJZRIQBBL-HOMQSWHASA-N 1 2 219.263 2.308 20 30 BEEDLO C#CCCC[N@H+](CCC#N)Cc1cccnc1 ZINC000169046561 966913724 /nfs/dbraw/zinc/91/37/24/966913724.db2.gz WTWMMIMMWSOAOU-UHFFFAOYSA-N 1 2 227.311 2.211 20 30 BEEDLO C#CCCC[N@@H+](CCC#N)Cc1cccnc1 ZINC000169046561 966913731 /nfs/dbraw/zinc/91/37/31/966913731.db2.gz WTWMMIMMWSOAOU-UHFFFAOYSA-N 1 2 227.311 2.211 20 30 BEEDLO Cc1c(F)cccc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001204509338 967017544 /nfs/dbraw/zinc/01/75/44/967017544.db2.gz BLPXVAFAOZPKHE-LLVKDONJSA-N 1 2 218.275 2.480 20 30 BEEDLO Cc1c(F)cccc1C[N@H+]1CC[C@H](C#N)C1 ZINC001204509338 967017560 /nfs/dbraw/zinc/01/75/60/967017560.db2.gz BLPXVAFAOZPKHE-LLVKDONJSA-N 1 2 218.275 2.480 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H]1COc2ccccc21 ZINC000070068968 1165912690 /nfs/dbraw/zinc/91/26/90/1165912690.db2.gz NXHIWEIXQNOCDW-PWSUYJOCSA-N 1 2 216.284 2.402 20 30 BEEDLO C[C@H]1CC(C[N@@H+]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC001209380482 969450509 /nfs/dbraw/zinc/45/05/09/969450509.db2.gz WXXVYPLKDMKACV-GVXVVHGQSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@H]1CC(C[N@H+]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC001209380482 969450514 /nfs/dbraw/zinc/45/05/14/969450514.db2.gz WXXVYPLKDMKACV-GVXVVHGQSA-N 1 2 222.332 2.178 20 30 BEEDLO C#C[C@H](C)[NH2+]Cc1csc(C(C)C)n1 ZINC000393660410 1166497827 /nfs/dbraw/zinc/49/78/27/1166497827.db2.gz UOFVVHWRIZLRCL-VIFPVBQESA-N 1 2 208.330 2.378 20 30 BEEDLO CC[C@](C)(C#N)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254934030 969828525 /nfs/dbraw/zinc/82/85/25/969828525.db2.gz HPCVADITXLOQJQ-MPPDQPJWSA-N 1 2 220.316 2.026 20 30 BEEDLO C[C@@H](CC(F)(F)F)[N@@H+]1CC[C@@H](C#N)C1 ZINC001255656625 970430466 /nfs/dbraw/zinc/43/04/66/970430466.db2.gz XXOQXZYYVORNMA-YUMQZZPRSA-N 1 2 206.211 2.173 20 30 BEEDLO C[C@@H](CC(F)(F)F)[N@H+]1CC[C@@H](C#N)C1 ZINC001255656625 970430478 /nfs/dbraw/zinc/43/04/78/970430478.db2.gz XXOQXZYYVORNMA-YUMQZZPRSA-N 1 2 206.211 2.173 20 30 BEEDLO C[C@@H]([NH2+]C1(C)CC1)c1cccc(C#N)c1O ZINC001335520244 977114021 /nfs/dbraw/zinc/11/40/21/977114021.db2.gz IJUHRTVZJOFAJG-SECBINFHSA-N 1 2 216.284 2.467 20 30 BEEDLO C#CC[N@@H+](Cc1nc(C)c(C)o1)CC1CC1 ZINC001335590511 977165376 /nfs/dbraw/zinc/16/53/76/977165376.db2.gz SAQGLLIMPNYYBW-UHFFFAOYSA-N 1 2 218.300 2.137 20 30 BEEDLO C#CC[N@H+](Cc1nc(C)c(C)o1)CC1CC1 ZINC001335590511 977165383 /nfs/dbraw/zinc/16/53/83/977165383.db2.gz SAQGLLIMPNYYBW-UHFFFAOYSA-N 1 2 218.300 2.137 20 30 BEEDLO C=C(CC)C[NH2+]C1(C(=O)OCC)CCCC1 ZINC000381359356 1167545433 /nfs/dbraw/zinc/54/54/33/1167545433.db2.gz FFULWQSNAKVCRX-UHFFFAOYSA-N 1 2 225.332 2.418 20 30 BEEDLO Cc1scnc1C[NH+]1CCC(C#N)CC1 ZINC001232203653 977926253 /nfs/dbraw/zinc/92/62/53/977926253.db2.gz DPMOYJONUHUDFK-UHFFFAOYSA-N 1 2 221.329 2.187 20 30 BEEDLO CC[C@@H](C)[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232675138 978245901 /nfs/dbraw/zinc/24/59/01/978245901.db2.gz LVJQITBOIIMKHR-SNVBAGLBSA-N 1 2 218.300 2.494 20 30 BEEDLO CC[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232675138 978245909 /nfs/dbraw/zinc/24/59/09/978245909.db2.gz LVJQITBOIIMKHR-SNVBAGLBSA-N 1 2 218.300 2.494 20 30 BEEDLO C#CCNc1ccc2cc(OC)c(OC)cc2[nH+]1 ZINC001155650845 1168470111 /nfs/dbraw/zinc/47/01/11/1168470111.db2.gz LUCSRFNUYWEOAF-UHFFFAOYSA-N 1 2 242.278 2.297 20 30 BEEDLO C=C(C)CCC(=O)NCCCCn1cc[nH+]c1 ZINC001346823648 980917064 /nfs/dbraw/zinc/91/70/64/980917064.db2.gz WWXLOXFBLMLSCF-UHFFFAOYSA-N 1 2 235.331 2.136 20 30 BEEDLO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C#N)CC(C)C)C1 ZINC001172923132 1168682936 /nfs/dbraw/zinc/68/29/36/1168682936.db2.gz LSUZFYRTTNJJPL-JHJVBQTASA-N 1 2 224.348 2.472 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1c(Cl)ncn1CC ZINC001177904963 1168716330 /nfs/dbraw/zinc/71/63/30/1168716330.db2.gz LZGXSKASKKIMLH-UHFFFAOYSA-N 1 2 234.130 2.399 20 30 BEEDLO N#Cc1ccc(Nc2ccc(N)[nH+]c2)s1 ZINC001201278872 983178801 /nfs/dbraw/zinc/17/88/01/983178801.db2.gz IOXUYUPPLGBLNO-UHFFFAOYSA-N 1 2 216.269 2.341 20 30 BEEDLO C=CCC[C@@H](O)CNc1ccc(C)[nH+]c1C ZINC001252586561 983836885 /nfs/dbraw/zinc/83/68/85/983836885.db2.gz JXPYJXHFRKZUFA-GFCCVEGCSA-N 1 2 220.316 2.437 20 30 BEEDLO C#CCOc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001138557748 1169359136 /nfs/dbraw/zinc/35/91/36/1169359136.db2.gz QBWYCKXFVYUZMN-AWEZNQCLSA-N 1 2 240.306 2.044 20 30 BEEDLO C#CCOc1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001138557748 1169359144 /nfs/dbraw/zinc/35/91/44/1169359144.db2.gz QBWYCKXFVYUZMN-AWEZNQCLSA-N 1 2 240.306 2.044 20 30 BEEDLO N#Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001139877556 1169367337 /nfs/dbraw/zinc/36/73/37/1169367337.db2.gz NYJZCBQHWMFOLH-FPMFFAJLSA-N 1 2 248.276 2.487 20 30 BEEDLO N#Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001139877556 1169367342 /nfs/dbraw/zinc/36/73/42/1169367342.db2.gz NYJZCBQHWMFOLH-FPMFFAJLSA-N 1 2 248.276 2.487 20 30 BEEDLO Fc1c[nH+]ccc1NCC#Cc1ccccc1 ZINC001170427367 970791181 /nfs/dbraw/zinc/79/11/81/970791181.db2.gz PPRWNSHLOKOVNE-UHFFFAOYSA-N 1 2 226.254 2.106 20 30 BEEDLO CC[C@H](C#N)[NH2+]C1CCC(CC(=O)OC)CC1 ZINC001256979877 971055762 /nfs/dbraw/zinc/05/57/62/971055762.db2.gz XWDGMEUMRRMMSG-MOENNCHZSA-N 1 2 238.331 2.000 20 30 BEEDLO C[C@H]1CC([NH2+]C2(C#N)CCCC2)C[C@H](C)O1 ZINC001257078045 971094030 /nfs/dbraw/zinc/09/40/30/971094030.db2.gz UJURRKJGJRXQCS-QWRGUYRKSA-N 1 2 222.332 2.368 20 30 BEEDLO CCC(CC)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001257297185 971184542 /nfs/dbraw/zinc/18/45/42/971184542.db2.gz VFLUMIFXWRHYAD-LLVKDONJSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC(CC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257297185 971184549 /nfs/dbraw/zinc/18/45/49/971184549.db2.gz VFLUMIFXWRHYAD-LLVKDONJSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC(CC)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257297185 971184552 /nfs/dbraw/zinc/18/45/52/971184552.db2.gz VFLUMIFXWRHYAD-LLVKDONJSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC(CC)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001257297185 971184557 /nfs/dbraw/zinc/18/45/57/971184557.db2.gz VFLUMIFXWRHYAD-LLVKDONJSA-N 1 2 225.357 2.449 20 30 BEEDLO Cc1noc(C)c1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000405147039 971200856 /nfs/dbraw/zinc/20/08/56/971200856.db2.gz AKTUPKOAEKNDSL-MRVPVSSYSA-N 1 2 221.304 2.492 20 30 BEEDLO CCCCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001257500163 971417500 /nfs/dbraw/zinc/41/75/00/971417500.db2.gz LOYGDDMIKAHPNP-MNOVXSKESA-N 1 2 247.404 2.406 20 30 BEEDLO CC[C@@](C)(C#N)[NH2+]C1CCC(C(=O)OC)CC1 ZINC001257855854 971503336 /nfs/dbraw/zinc/50/33/36/971503336.db2.gz JQJGHDUBMRZQDY-XIVSLSHWSA-N 1 2 238.331 2.000 20 30 BEEDLO CC[NH+]1CC(Oc2cc(C)c(C#N)c(C)c2)C1 ZINC001226833071 1169613778 /nfs/dbraw/zinc/61/37/78/1169613778.db2.gz ZSKDZSASNRADCV-UHFFFAOYSA-N 1 2 230.311 2.258 20 30 BEEDLO C=CCC(C)(C)CNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001330460581 974270102 /nfs/dbraw/zinc/27/01/02/974270102.db2.gz FDXJOWLAZFYJNC-LLVKDONJSA-N 1 2 235.331 2.163 20 30 BEEDLO CC1(C)[C@@H]2C[C@@H]([NH+]3CC(C)(C#N)C3)C[C@@H]21 ZINC001170738664 971693211 /nfs/dbraw/zinc/69/32/11/971693211.db2.gz JOCRKCCHWMYQHE-RTCCRHLQSA-N 1 2 204.317 2.266 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172232352 974474791 /nfs/dbraw/zinc/47/47/91/974474791.db2.gz GHPCBIRHOGOHOH-PSEXLTFBSA-N 1 2 220.316 2.000 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172236255 974495317 /nfs/dbraw/zinc/49/53/17/974495317.db2.gz PRFJAXMBYCJVDU-PSEXLTFBSA-N 1 2 220.316 2.144 20 30 BEEDLO C#CC[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC001237789284 1169703385 /nfs/dbraw/zinc/70/33/85/1169703385.db2.gz IOXNOHSPYFEHDQ-UHFFFAOYSA-N 1 2 206.314 2.086 20 30 BEEDLO C#CC[N@H+](C)Cc1cnc(C2CC2)s1 ZINC001237789284 1169703394 /nfs/dbraw/zinc/70/33/94/1169703394.db2.gz IOXNOHSPYFEHDQ-UHFFFAOYSA-N 1 2 206.314 2.086 20 30 BEEDLO Cc1cnc(Nc2c[nH+]c(C)c(N)c2)c(C#N)c1 ZINC001210286740 957715514 /nfs/dbraw/zinc/71/55/14/957715514.db2.gz ASPBJMJZSRXMBM-UHFFFAOYSA-N 1 2 239.282 2.291 20 30 BEEDLO C#Cc1cc(Nc2ccc([C@@H](C)O)cc2)cc[nH+]1 ZINC001210641763 957836813 /nfs/dbraw/zinc/83/68/13/957836813.db2.gz WNAZOEOWBUIZMS-LLVKDONJSA-N 1 2 238.290 2.282 20 30 BEEDLO C#Cc1cc(Nc2cc(CO)ccc2C)cc[nH+]1 ZINC001210678154 957852161 /nfs/dbraw/zinc/85/21/61/957852161.db2.gz OSYUDTCEPXQMKD-UHFFFAOYSA-N 1 2 238.290 2.029 20 30 BEEDLO C[C@H](C#C[Si](C)(C)C)OCCn1cc[nH+]c1 ZINC001222139434 972386694 /nfs/dbraw/zinc/38/66/94/972386694.db2.gz RPBSVMVQEYRKCZ-GFCCVEGCSA-N 1 2 236.391 2.169 20 30 BEEDLO C#C[C@H](CCCC)OCCn1cc[nH+]c1 ZINC001222139113 972387628 /nfs/dbraw/zinc/38/76/28/972387628.db2.gz NUVSXKAVRAZBQT-GFCCVEGCSA-N 1 2 206.289 2.092 20 30 BEEDLO CC#Cc1cncc(NCc2cc[nH+]c(N)c2)c1 ZINC001167616247 959084025 /nfs/dbraw/zinc/08/40/25/959084025.db2.gz BGRRDJAUOMJIIM-UHFFFAOYSA-N 1 2 238.294 2.042 20 30 BEEDLO N#CCCCCNc1cc(N)cc(Cl)[nH+]1 ZINC000308928793 959545429 /nfs/dbraw/zinc/54/54/29/959545429.db2.gz DTQNCAQSDYMXKL-UHFFFAOYSA-N 1 2 224.695 2.423 20 30 BEEDLO C=CC[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001144017361 972481962 /nfs/dbraw/zinc/48/19/62/972481962.db2.gz KRTPGHMLBKZFOX-VXGBXAGGSA-N 1 2 247.342 2.328 20 30 BEEDLO C=C[C@@H]([NH2+]CC1CCC2(CC2)CC1)C(=O)OC ZINC000695664233 960334012 /nfs/dbraw/zinc/33/40/12/960334012.db2.gz CIYXGIWCBIPQEN-GFCCVEGCSA-N 1 2 237.343 2.274 20 30 BEEDLO COc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)c(C)c1 ZINC001140677047 960482367 /nfs/dbraw/zinc/48/23/67/960482367.db2.gz XDMMZGGIGXEFMF-LBPRGKRZSA-N 1 2 230.311 2.349 20 30 BEEDLO COc1ccc(C[N@H+]2CC[C@@H](C#N)C2)c(C)c1 ZINC001140677047 960482382 /nfs/dbraw/zinc/48/23/82/960482382.db2.gz XDMMZGGIGXEFMF-LBPRGKRZSA-N 1 2 230.311 2.349 20 30 BEEDLO CC1C[NH+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140750965 960554744 /nfs/dbraw/zinc/55/47/44/960554744.db2.gz FFAQSBWIPCIFFM-UHFFFAOYSA-N 1 2 222.238 2.288 20 30 BEEDLO C=CCCCC[N@@H+](C)Cc1csnn1 ZINC001140997516 960791006 /nfs/dbraw/zinc/79/10/06/960791006.db2.gz XDGCUUNIFIICNI-UHFFFAOYSA-N 1 2 211.334 2.326 20 30 BEEDLO C=CCCCC[N@H+](C)Cc1csnn1 ZINC001140997516 960791028 /nfs/dbraw/zinc/79/10/28/960791028.db2.gz XDGCUUNIFIICNI-UHFFFAOYSA-N 1 2 211.334 2.326 20 30 BEEDLO N#Cc1c(N)sc(C[NH+]2CC=CC2)c1Cl ZINC001141109231 960866948 /nfs/dbraw/zinc/86/69/48/960866948.db2.gz NUXVSYVLVXGFOX-UHFFFAOYSA-N 1 2 239.731 2.227 20 30 BEEDLO CC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167653 960899542 /nfs/dbraw/zinc/89/95/42/960899542.db2.gz UOSIZZZPZROEEC-LLVKDONJSA-N 1 2 246.285 2.108 20 30 BEEDLO CC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167653 960899551 /nfs/dbraw/zinc/89/95/51/960899551.db2.gz UOSIZZZPZROEEC-LLVKDONJSA-N 1 2 246.285 2.108 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc2nc[nH]c21 ZINC001142687706 961624680 /nfs/dbraw/zinc/62/46/80/961624680.db2.gz WDALPHPCZMUOSB-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc2nc[nH]c21 ZINC001142687706 961624685 /nfs/dbraw/zinc/62/46/85/961624685.db2.gz WDALPHPCZMUOSB-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO COc1cc(C)cc(C[N@H+](C)CCC#N)c1 ZINC001143147723 961889044 /nfs/dbraw/zinc/88/90/44/961889044.db2.gz QFOHCFDOUVSFSC-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO COc1cc(C)cc(C[N@@H+](C)CCC#N)c1 ZINC001143147723 961889051 /nfs/dbraw/zinc/88/90/51/961889051.db2.gz QFOHCFDOUVSFSC-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc2cccnc2[nH]1 ZINC001143220155 961961907 /nfs/dbraw/zinc/96/19/07/961961907.db2.gz GWBAHCYYUSQMOY-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc2cccnc2[nH]1 ZINC001143220155 961961919 /nfs/dbraw/zinc/96/19/19/961961919.db2.gz GWBAHCYYUSQMOY-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO O=C1C=C2C[N@H+]([C@H]3C[C@H]4C[C@H]4C3)CCC2S1 ZINC001167928070 962028298 /nfs/dbraw/zinc/02/82/98/962028298.db2.gz PCOVNGDYOWFPEP-SPFNVWMYSA-N 1 2 235.352 2.059 20 30 BEEDLO O=C1C=C2C[N@@H+]([C@H]3C[C@H]4C[C@H]4C3)CCC2S1 ZINC001167928070 962028320 /nfs/dbraw/zinc/02/83/20/962028320.db2.gz PCOVNGDYOWFPEP-SPFNVWMYSA-N 1 2 235.352 2.059 20 30 BEEDLO O=C1C=C2C[N@H+]([C@H]3C[C@H]4C[C@H]4C3)CC[C@@H]2S1 ZINC001167928070 962028328 /nfs/dbraw/zinc/02/83/28/962028328.db2.gz PCOVNGDYOWFPEP-SPFNVWMYSA-N 1 2 235.352 2.059 20 30 BEEDLO O=C1C=C2C[N@@H+]([C@H]3C[C@H]4C[C@H]4C3)CC[C@@H]2S1 ZINC001167928070 962028348 /nfs/dbraw/zinc/02/83/48/962028348.db2.gz PCOVNGDYOWFPEP-SPFNVWMYSA-N 1 2 235.352 2.059 20 30 BEEDLO C[C@@]1(O)CC[C@@H](Nc2cc(CC#N)cc[nH+]2)CC1 ZINC001154955393 962923099 /nfs/dbraw/zinc/92/30/99/962923099.db2.gz YAIOHUNBIWWBIZ-MQMHXKEQSA-N 1 2 245.326 2.253 20 30 BEEDLO C[C@@H]1C[C@@H]([NH2+]C2(C#N)CCCCC2)CCO1 ZINC001168078221 963620507 /nfs/dbraw/zinc/62/05/07/963620507.db2.gz LUBKKIFFILVSGR-NEPJUHHUSA-N 1 2 222.332 2.370 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168103922 963721178 /nfs/dbraw/zinc/72/11/78/963721178.db2.gz TXYXNHBHELLIMU-GRYCIOLGSA-N 1 2 210.321 2.226 20 30 BEEDLO CC(C)OCCCNc1cc(CC#N)cc[nH+]1 ZINC001157870538 963753118 /nfs/dbraw/zinc/75/31/18/963753118.db2.gz LVRXANAPSATASY-UHFFFAOYSA-N 1 2 233.315 2.375 20 30 BEEDLO CO[C@@H]1CCN(c2cc(CC#N)cc[nH+]2)[C@H](C)C1 ZINC001158897059 963954054 /nfs/dbraw/zinc/95/40/54/963954054.db2.gz RFSNONCGAJQLJQ-DGCLKSJQSA-N 1 2 245.326 2.151 20 30 BEEDLO Cc1c[nH+]c(NCC(C)(C)S)c(/C=N/O)c1 ZINC001159267816 964042807 /nfs/dbraw/zinc/04/28/07/964042807.db2.gz HLTQEBGRRONUGU-MKMNVTDBSA-N 1 2 239.344 2.318 20 30 BEEDLO CC(C)n1c[nH+]cc1CNc1ncccc1C#N ZINC001161563186 964643252 /nfs/dbraw/zinc/64/32/52/964643252.db2.gz RQXYEPGYTLTGKM-UHFFFAOYSA-N 1 2 241.298 2.343 20 30 BEEDLO CC(C)OCCNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001161789614 964756089 /nfs/dbraw/zinc/75/60/89/964756089.db2.gz YEVDPXDWKWDISU-UHFFFAOYSA-N 1 2 245.326 2.474 20 30 BEEDLO C#CCCCNc1[nH+]cccc1[Si](C)(C)C ZINC001162440182 964979694 /nfs/dbraw/zinc/97/96/94/964979694.db2.gz RNUKXGGEZPEVTP-UHFFFAOYSA-N 1 2 232.403 2.452 20 30 BEEDLO CC#CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001162960662 965215628 /nfs/dbraw/zinc/21/56/28/965215628.db2.gz WYQFRXVJUNPSPR-UHFFFAOYSA-N 1 2 236.278 2.318 20 30 BEEDLO C#Cc1cc(Nc2cnc(F)c(C)c2)cc[nH+]1 ZINC001212176167 965251514 /nfs/dbraw/zinc/25/15/14/965251514.db2.gz XHMRGNVTKAXZNU-UHFFFAOYSA-N 1 2 227.242 2.071 20 30 BEEDLO C=C(C)CNc1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001163376157 965379030 /nfs/dbraw/zinc/37/90/30/965379030.db2.gz UTSRDNIRFJOJSJ-UHFFFAOYSA-N 1 2 243.314 2.267 20 30 BEEDLO O=C1C=C(Nc2[nH+]cnc3[nH]ccc32)CCC1 ZINC001163453392 965408523 /nfs/dbraw/zinc/40/85/23/965408523.db2.gz ZVIMBSVCKNREAN-UHFFFAOYSA-N 1 2 228.255 2.007 20 30 BEEDLO CCCN(CCOC)c1cc(CC#N)cc[nH+]1 ZINC001163647532 965495272 /nfs/dbraw/zinc/49/52/72/965495272.db2.gz VPXKRAVIPISCLJ-UHFFFAOYSA-N 1 2 233.315 2.010 20 30 BEEDLO N#CCc1ccc[nH+]c1NC[C@H]1CCCCO1 ZINC001164655865 965942276 /nfs/dbraw/zinc/94/22/76/965942276.db2.gz HATHIZQFLJIUOZ-GFCCVEGCSA-N 1 2 231.299 2.129 20 30 BEEDLO COC(C)(C)CNc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001165829511 966162748 /nfs/dbraw/zinc/16/27/48/966162748.db2.gz CPGYQTSMCBZVAQ-UHFFFAOYSA-N 1 2 245.326 2.474 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(C#N)c1O ZINC000903109016 967070680 /nfs/dbraw/zinc/07/06/80/967070680.db2.gz KIEVPMNSOYDXBF-JTQLQIEISA-N 1 2 241.294 2.218 20 30 BEEDLO N#CC1(C[NH2+][C@H]2CCCc3cn[nH]c32)CCCC1 ZINC000903108632 967072126 /nfs/dbraw/zinc/07/21/26/967072126.db2.gz FSSCSBJMGZUPGW-LBPRGKRZSA-N 1 2 244.342 2.461 20 30 BEEDLO N#CC1(C[NH2+][C@H]2CCCc3c[nH]nc32)CCCC1 ZINC000903108632 967072143 /nfs/dbraw/zinc/07/21/43/967072143.db2.gz FSSCSBJMGZUPGW-LBPRGKRZSA-N 1 2 244.342 2.461 20 30 BEEDLO C#Cc1cc(Nc2cc(Cl)ccc2N)cc[nH+]1 ZINC001212427266 967170909 /nfs/dbraw/zinc/17/09/09/967170909.db2.gz KKPFHVSQDZQLQE-UHFFFAOYSA-N 1 2 243.697 2.464 20 30 BEEDLO N#CCOc1ccc(CCn2cc[nH+]c2)cc1 ZINC001250318508 967686081 /nfs/dbraw/zinc/68/60/81/967686081.db2.gz GLODWMQAEHNCIN-UHFFFAOYSA-N 1 2 227.267 2.028 20 30 BEEDLO N#Cc1ccc(F)c(CCn2cc[nH+]c2)c1 ZINC001250320550 967696976 /nfs/dbraw/zinc/69/69/76/967696976.db2.gz OQOSCGBCQADDSQ-UHFFFAOYSA-N 1 2 215.231 2.137 20 30 BEEDLO COc1ccc(CCn2cc[nH+]c2)cc1C#N ZINC001250321096 967698745 /nfs/dbraw/zinc/69/87/45/967698745.db2.gz WJIGRJSOIPEDKM-UHFFFAOYSA-N 1 2 227.267 2.006 20 30 BEEDLO C#Cc1cc(Nc2cnn(C(C)(C)C)c2)cc[nH+]1 ZINC001212566843 967878803 /nfs/dbraw/zinc/87/88/03/967878803.db2.gz RBNPCIHMMUHZBI-UHFFFAOYSA-N 1 2 240.310 2.180 20 30 BEEDLO CC[C@H](CO)Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001163045740 967983804 /nfs/dbraw/zinc/98/38/04/967983804.db2.gz UKPLTEMIKJMBNV-GFCCVEGCSA-N 1 2 241.294 2.289 20 30 BEEDLO CC[C@H]([NH2+][C@@H](C)CCO)c1cccc(C#N)c1O ZINC000822658672 968529904 /nfs/dbraw/zinc/52/99/04/968529904.db2.gz NYUNEOVEGDPUAZ-GWCFXTLKSA-N 1 2 248.326 2.075 20 30 BEEDLO CCOCC[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000823330657 968541861 /nfs/dbraw/zinc/54/18/61/968541861.db2.gz RXAHVLOPUSLDBK-ZDUSSCGKSA-N 1 2 248.326 2.341 20 30 BEEDLO C=C(C)C[C@H]([NH2+]CCSC(C)C)C(=O)OC ZINC001207128237 968648104 /nfs/dbraw/zinc/64/81/04/968648104.db2.gz AVMKVBKQBVCILJ-NSHDSACASA-N 1 2 245.388 2.225 20 30 BEEDLO C=C[C@@](C)(O)CNc1cccc(-n2cc[nH+]c2)c1 ZINC001252559918 968808809 /nfs/dbraw/zinc/80/88/09/968808809.db2.gz CFXNWGKOPFFNOX-CQSZACIVSA-N 1 2 243.310 2.221 20 30 BEEDLO CSCCCNc1cc(CC#N)cc[nH+]1 ZINC001155979943 969137988 /nfs/dbraw/zinc/13/79/88/969137988.db2.gz NPEFUWKPLQCGGA-UHFFFAOYSA-N 1 2 221.329 2.313 20 30 BEEDLO C=C[C@@H](O)CNc1cc2ccccc2c[nH+]1 ZINC001253568398 969241585 /nfs/dbraw/zinc/24/15/85/969241585.db2.gz GBAKBLHXXHQXHK-GFCCVEGCSA-N 1 2 214.268 2.194 20 30 BEEDLO C=CCCCC[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001209201653 969388301 /nfs/dbraw/zinc/38/83/01/969388301.db2.gz OWTUGXLTPWVCJD-LLVKDONJSA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCCCC[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001209201653 969388308 /nfs/dbraw/zinc/38/83/08/969388308.db2.gz OWTUGXLTPWVCJD-LLVKDONJSA-N 1 2 233.302 2.435 20 30 BEEDLO C[C@@H]1CC(C[NH+]2CC(C)(C#N)C2)C[C@@H](C)O1 ZINC001209377417 969446791 /nfs/dbraw/zinc/44/67/91/969446791.db2.gz BKFADMRCLREYLL-GHMZBOCLSA-N 1 2 222.332 2.035 20 30 BEEDLO Cc1[nH]c2ncccc2c1C[N@H+](C)CCC#N ZINC001209587383 969565411 /nfs/dbraw/zinc/56/54/11/969565411.db2.gz QZDAZYLCIAALHY-UHFFFAOYSA-N 1 2 228.299 2.217 20 30 BEEDLO Cc1[nH]c2ncccc2c1C[N@@H+](C)CCC#N ZINC001209587383 969565417 /nfs/dbraw/zinc/56/54/17/969565417.db2.gz QZDAZYLCIAALHY-UHFFFAOYSA-N 1 2 228.299 2.217 20 30 BEEDLO CCC(CC)([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)OC ZINC001254655305 969764953 /nfs/dbraw/zinc/76/49/53/969764953.db2.gz ZZCPMIADJSFPRN-GHMZBOCLSA-N 1 2 238.331 2.000 20 30 BEEDLO C[C@H]1CCC[C@@H](CC[NH+]2CC(O)(CC#N)C2)C1 ZINC001169630461 969793322 /nfs/dbraw/zinc/79/33/22/969793322.db2.gz UNZVLEJQRMIKIQ-STQMWFEESA-N 1 2 236.359 2.163 20 30 BEEDLO C#Cc1cc(Nc2cc3c[nH]nc3cc2C)cc[nH+]1 ZINC001210100273 969797301 /nfs/dbraw/zinc/79/73/01/969797301.db2.gz KVPAMRDHQOKNEL-UHFFFAOYSA-N 1 2 248.289 2.413 20 30 BEEDLO Cc1[nH+]c2ccc(N)cc2n1-c1cccnc1C#N ZINC001210144319 969810339 /nfs/dbraw/zinc/81/03/39/969810339.db2.gz NJSSTEZQADACNR-UHFFFAOYSA-N 1 2 249.277 2.183 20 30 BEEDLO COc1cc(Nc2cccnc2C#N)cc(C)[nH+]1 ZINC001210143263 969811010 /nfs/dbraw/zinc/81/10/10/969811010.db2.gz XOYGXDHGRMIUGP-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO CC(C)C[C@H](C#N)[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254925338 969824575 /nfs/dbraw/zinc/82/45/75/969824575.db2.gz ANPIREQUKRQECZ-GMXVVIOVSA-N 1 2 234.343 2.272 20 30 BEEDLO CCC(C#N)(CC)[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254940498 969829780 /nfs/dbraw/zinc/82/97/80/969829780.db2.gz MHMLHUOKFQDCBE-GHMZBOCLSA-N 1 2 234.343 2.416 20 30 BEEDLO C#Cc1cc(Nc2cnc3[nH]cc(C)c3c2)cc[nH+]1 ZINC001206020769 969851089 /nfs/dbraw/zinc/85/10/89/969851089.db2.gz RJBMTFMNTMUELP-UHFFFAOYSA-N 1 2 248.289 2.413 20 30 BEEDLO C=C[C@@H](CO)Nc1cc2ccc(OC)cc2c[nH+]1 ZINC001169779721 969851939 /nfs/dbraw/zinc/85/19/39/969851939.db2.gz VTKFGEMBWGLWMS-LBPRGKRZSA-N 1 2 244.294 2.202 20 30 BEEDLO Cc1[nH+]cc(Nc2c(O)cccc2C#N)cc1N ZINC001210289204 969858125 /nfs/dbraw/zinc/85/81/25/969858125.db2.gz BGNYFMUMXAMHCH-UHFFFAOYSA-N 1 2 240.266 2.293 20 30 BEEDLO C=C[C@@H](CO)Nc1ccc([NH+](C)C)c(C)c1 ZINC001169784734 969858164 /nfs/dbraw/zinc/85/81/64/969858164.db2.gz RIICMXFCVFHABB-NSHDSACASA-N 1 2 220.316 2.020 20 30 BEEDLO N#CC1([NH2+]C2CCSCC2)CCCC1 ZINC001255081487 969875115 /nfs/dbraw/zinc/87/51/15/969875115.db2.gz DUBGAIXDDCJUDE-UHFFFAOYSA-N 1 2 210.346 2.308 20 30 BEEDLO N#Cc1ccc2cc[nH+]c(NC3CC(=O)C3)c2c1 ZINC001156611174 969940399 /nfs/dbraw/zinc/94/03/99/969940399.db2.gz UXSSDGFGJUCJPV-UHFFFAOYSA-N 1 2 237.262 2.250 20 30 BEEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001255174500 969989341 /nfs/dbraw/zinc/98/93/41/969989341.db2.gz XXFPYVUKPLTDPA-DGCLKSJQSA-N 1 2 230.315 2.306 20 30 BEEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001255174500 969989348 /nfs/dbraw/zinc/98/93/48/969989348.db2.gz XXFPYVUKPLTDPA-DGCLKSJQSA-N 1 2 230.315 2.306 20 30 BEEDLO CC[C@@](C)(C#N)[NH2+]C1CCC(OC)CC1 ZINC001255450252 970185078 /nfs/dbraw/zinc/18/50/78/970185078.db2.gz PDGVMTQANNVGAD-MCIGGMRASA-N 1 2 210.321 2.226 20 30 BEEDLO Cc1cc(C)c(Nc2cnc(C#N)nc2)c[nH+]1 ZINC001213507974 970331956 /nfs/dbraw/zinc/33/19/56/970331956.db2.gz IJKNSAXTNXDPBG-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)CC[C@@H](C)CC)CC1 ZINC001113451876 970434813 /nfs/dbraw/zinc/43/48/13/970434813.db2.gz PKJWEVMGDAHSBP-ZDUSSCGKSA-N 1 2 238.375 2.143 20 30 BEEDLO C#CCN(CC#C)c1[nH+]ccc2ccccc21 ZINC001157558469 970435664 /nfs/dbraw/zinc/43/56/64/970435664.db2.gz AOBPAKPPPAXMFW-UHFFFAOYSA-N 1 2 220.275 2.308 20 30 BEEDLO C=CCCCNc1[nH+]cnc2[nH]cc(F)c21 ZINC001170296463 970673606 /nfs/dbraw/zinc/67/36/06/970673606.db2.gz KDEPOFUSZKPVGO-UHFFFAOYSA-N 1 2 220.251 2.427 20 30 BEEDLO C=CCCCNc1ccc(N2CCOCC2)c[nH+]1 ZINC001170299061 970679595 /nfs/dbraw/zinc/67/95/95/970679595.db2.gz ZNHOQXWFFBJPHN-UHFFFAOYSA-N 1 2 247.342 2.296 20 30 BEEDLO Cc1c(O)cccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001144118705 972589191 /nfs/dbraw/zinc/58/91/91/972589191.db2.gz GRSVECYPTYAOIZ-GFCCVEGCSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1c(O)cccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC001144118705 972589194 /nfs/dbraw/zinc/58/91/94/972589194.db2.gz GRSVECYPTYAOIZ-GFCCVEGCSA-N 1 2 230.311 2.436 20 30 BEEDLO Cn1c[nH+]cc1CO[C@@H](C#N)c1ccccc1 ZINC001222595211 972593507 /nfs/dbraw/zinc/59/35/07/972593507.db2.gz SYAIJFBLYCBJBC-ZDUSSCGKSA-N 1 2 227.267 2.202 20 30 BEEDLO C[C@H](CC(C)(C)S)OCc1c[nH+]cn1C ZINC001222600963 972597287 /nfs/dbraw/zinc/59/72/87/972597287.db2.gz WTNQUCPGBYEKRL-SECBINFHSA-N 1 2 228.361 2.424 20 30 BEEDLO CC#CC[C@@H](CC)OCc1c[nH+]cn1C ZINC001222599823 972599735 /nfs/dbraw/zinc/59/97/35/972599735.db2.gz GOTOALAIVKSAFB-GFCCVEGCSA-N 1 2 206.289 2.129 20 30 BEEDLO C#C[C@H](CCCC)OCc1c[nH+]cn1C ZINC001222599477 972601220 /nfs/dbraw/zinc/60/12/20/972601220.db2.gz CESXACFZEDZWKU-GFCCVEGCSA-N 1 2 206.289 2.129 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(Cl)cc(OC)c1 ZINC001144490384 972845803 /nfs/dbraw/zinc/84/58/03/972845803.db2.gz ZHZKEZKFKRDPPM-UHFFFAOYSA-N 1 2 247.725 2.417 20 30 BEEDLO C#C[C@@H](Oc1cc[nH+]cc1)c1ccncc1 ZINC001225296434 974373924 /nfs/dbraw/zinc/37/39/24/974373924.db2.gz VLIOMXYBVDURAU-CYBMUJFWSA-N 1 2 210.236 2.230 20 30 BEEDLO N#CC1([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CCCCC1 ZINC001172231058 974473791 /nfs/dbraw/zinc/47/37/91/974473791.db2.gz NWLMBDXZYPZUBE-YHWZYXNKSA-N 1 2 232.327 2.288 20 30 BEEDLO CCCC[N@H+](CC#N)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172232048 974474898 /nfs/dbraw/zinc/47/48/98/974474898.db2.gz YFMUWLYMMVGQKQ-YHWZYXNKSA-N 1 2 222.332 2.322 20 30 BEEDLO CCCC[N@@H+](CC#N)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172232048 974474901 /nfs/dbraw/zinc/47/49/01/974474901.db2.gz YFMUWLYMMVGQKQ-YHWZYXNKSA-N 1 2 222.332 2.322 20 30 BEEDLO CC(C)C[C@](C)(C#N)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172238942 974500456 /nfs/dbraw/zinc/50/04/56/974500456.db2.gz YNNGQGQVOKOVPL-WTUNAVPPSA-N 1 2 234.343 2.390 20 30 BEEDLO CCC(C#N)(CC)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172237940 974501237 /nfs/dbraw/zinc/50/12/37/974501237.db2.gz QGFSJJNFQWMAJS-YOGCLGLASA-N 1 2 220.316 2.144 20 30 BEEDLO COc1ccc(C#N)cc1OC1C[NH+](C(C)C)C1 ZINC001225683201 974644423 /nfs/dbraw/zinc/64/44/23/974644423.db2.gz BHPQSWXUVXRBDM-UHFFFAOYSA-N 1 2 246.310 2.038 20 30 BEEDLO C[C@@H]1CC[C@@H]([NH2+]C2(C#N)CCOCC2)C[C@@H]1C ZINC001172369397 974650926 /nfs/dbraw/zinc/65/09/26/974650926.db2.gz LWVUDKCDWMEQJP-FRRDWIJNSA-N 1 2 236.359 2.473 20 30 BEEDLO CC(C)COCC[C@H](C)[N@@H+]1CCC[C@H]1C#N ZINC001172464743 974827470 /nfs/dbraw/zinc/82/74/70/974827470.db2.gz FAJINQIHUWTERC-STQMWFEESA-N 1 2 224.348 2.426 20 30 BEEDLO CC(C)COCC[C@H](C)[N@H+]1CCC[C@H]1C#N ZINC001172464743 974827472 /nfs/dbraw/zinc/82/74/72/974827472.db2.gz FAJINQIHUWTERC-STQMWFEESA-N 1 2 224.348 2.426 20 30 BEEDLO C[C@@H](CCCC#N)[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001172491140 974838070 /nfs/dbraw/zinc/83/80/70/974838070.db2.gz CCVJGAUNMKDNQN-QWRGUYRKSA-N 1 2 246.301 2.018 20 30 BEEDLO C[C@@H](CCCC#N)[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001172491140 974838066 /nfs/dbraw/zinc/83/80/66/974838066.db2.gz CCVJGAUNMKDNQN-QWRGUYRKSA-N 1 2 246.301 2.018 20 30 BEEDLO C[C@@H](CCCC#N)[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001172492021 974839653 /nfs/dbraw/zinc/83/96/53/974839653.db2.gz ISPQJLOHQMELGD-WDEREUQCSA-N 1 2 246.301 2.161 20 30 BEEDLO C[C@@H](CCCC#N)[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001172492021 974839654 /nfs/dbraw/zinc/83/96/54/974839654.db2.gz ISPQJLOHQMELGD-WDEREUQCSA-N 1 2 246.301 2.161 20 30 BEEDLO C[C@H](CCCC#N)[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001172492018 974840172 /nfs/dbraw/zinc/84/01/72/974840172.db2.gz ISPQJLOHQMELGD-MNOVXSKESA-N 1 2 246.301 2.161 20 30 BEEDLO C[C@H](CCCC#N)[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001172492018 974840178 /nfs/dbraw/zinc/84/01/78/974840178.db2.gz ISPQJLOHQMELGD-MNOVXSKESA-N 1 2 246.301 2.161 20 30 BEEDLO CC[C@H](C#N)[NH2+][C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172801278 974956006 /nfs/dbraw/zinc/95/60/06/974956006.db2.gz UGUGDLCECMCBNN-UTUOFQBUSA-N 1 2 238.331 2.000 20 30 BEEDLO CC[C@](C)(C#N)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC001172916674 974965635 /nfs/dbraw/zinc/96/56/35/974965635.db2.gz CMTJNQVDGLIVNS-IJLUTSLNSA-N 1 2 210.321 2.226 20 30 BEEDLO C=CCOc1ccccc1C[NH2+]Cc1cnc[nH]1 ZINC000096481205 975367490 /nfs/dbraw/zinc/36/74/90/975367490.db2.gz JYHUJEQBSUFQDK-UHFFFAOYSA-N 1 2 243.310 2.264 20 30 BEEDLO COC(=O)CCCC[C@@H](C)[N@@H+]1CCC[C@H]1C#N ZINC001173448267 975388247 /nfs/dbraw/zinc/38/82/47/975388247.db2.gz WEXMUTOYTKBSBG-NEPJUHHUSA-N 1 2 238.331 2.096 20 30 BEEDLO COC(=O)CCCC[C@@H](C)[N@H+]1CCC[C@H]1C#N ZINC001173448267 975388258 /nfs/dbraw/zinc/38/82/58/975388258.db2.gz WEXMUTOYTKBSBG-NEPJUHHUSA-N 1 2 238.331 2.096 20 30 BEEDLO CC[C@@](C)(C#N)[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173454060 975395578 /nfs/dbraw/zinc/39/55/78/975395578.db2.gz PLYIUMVBDHZBGG-AAEUAGOBSA-N 1 2 240.347 2.390 20 30 BEEDLO CCOC(=O)C[C@H]1CC[C@H]([NH2+]C(C)(C)C#N)C1 ZINC001173625714 975490676 /nfs/dbraw/zinc/49/06/76/975490676.db2.gz DYCROXWVCMCGNH-QWRGUYRKSA-N 1 2 238.331 2.000 20 30 BEEDLO C#Cc1cc(Nc2cccc(C(C)=O)c2)cc[nH+]1 ZINC001173898221 975886640 /nfs/dbraw/zinc/88/66/40/975886640.db2.gz IEMDSLOICSILCS-UHFFFAOYSA-N 1 2 236.274 2.431 20 30 BEEDLO C=CCc1ccccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC001228847173 976523226 /nfs/dbraw/zinc/52/32/26/976523226.db2.gz RLBZOAMLHPWMMG-AWEZNQCLSA-N 1 2 247.338 2.125 20 30 BEEDLO C=CCc1ccccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC001228847173 976523236 /nfs/dbraw/zinc/52/32/36/976523236.db2.gz RLBZOAMLHPWMMG-AWEZNQCLSA-N 1 2 247.338 2.125 20 30 BEEDLO C=CCc1cccc(OC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001231015476 977425125 /nfs/dbraw/zinc/42/51/25/977425125.db2.gz OQMNBQKJAFAHRJ-HNNXBMFYSA-N 1 2 247.338 2.125 20 30 BEEDLO C=CCc1cccc(OC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001231015476 977425128 /nfs/dbraw/zinc/42/51/28/977425128.db2.gz OQMNBQKJAFAHRJ-HNNXBMFYSA-N 1 2 247.338 2.125 20 30 BEEDLO C#Cc1cc(Nc2cnn(C3CCC3)c2)cc[nH+]1 ZINC001175754262 977706875 /nfs/dbraw/zinc/70/68/75/977706875.db2.gz CQNICJWXFTUKNF-UHFFFAOYSA-N 1 2 238.294 2.150 20 30 BEEDLO CCc1ccc(N2CCC(C#N)CC2)[nH+]c1 ZINC001336491117 977719383 /nfs/dbraw/zinc/71/93/83/977719383.db2.gz VAWNUAZQVSVANW-UHFFFAOYSA-N 1 2 215.300 2.384 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc(C)nc(C)c1 ZINC001232000430 977829653 /nfs/dbraw/zinc/82/96/53/977829653.db2.gz MHIYCQFEURLRGM-UHFFFAOYSA-N 1 2 217.316 2.434 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc(C)nc(C)c1 ZINC001232000430 977829657 /nfs/dbraw/zinc/82/96/57/977829657.db2.gz MHIYCQFEURLRGM-UHFFFAOYSA-N 1 2 217.316 2.434 20 30 BEEDLO COc1cc[nH+]cc1Nc1cnccc1C#N ZINC001176117258 977944526 /nfs/dbraw/zinc/94/45/26/977944526.db2.gz YCJRGUPJRIESQP-UHFFFAOYSA-N 1 2 226.239 2.100 20 30 BEEDLO COc1cc[nH+]cc1Nc1ccc(C#N)nc1 ZINC001176117901 977946476 /nfs/dbraw/zinc/94/64/76/977946476.db2.gz CDMVUPJKPSULII-UHFFFAOYSA-N 1 2 226.239 2.100 20 30 BEEDLO COc1cc[nH+]cc1Nc1oc(C)nc1C#N ZINC001176117996 977947270 /nfs/dbraw/zinc/94/72/70/977947270.db2.gz GIHLFIGNWJDWED-UHFFFAOYSA-N 1 2 230.227 2.002 20 30 BEEDLO C#Cc1ccc(Nc2c[nH+]ccc2OC)cn1 ZINC001176121522 977948649 /nfs/dbraw/zinc/94/86/49/977948649.db2.gz KTLYKGZQUSCWAZ-UHFFFAOYSA-N 1 2 225.251 2.210 20 30 BEEDLO COc1cc[nH+]cc1Nc1cc(C#N)cnc1C ZINC001176119319 977953231 /nfs/dbraw/zinc/95/32/31/977953231.db2.gz VPVVHAHVGJMZPP-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO CCOc1ncc(C[NH+]2CC(CC#N)C2)cc1C ZINC001232302703 977997566 /nfs/dbraw/zinc/99/75/66/977997566.db2.gz LDNQLTMCEUVIEZ-UHFFFAOYSA-N 1 2 245.326 2.134 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cnc(SC)cc1C ZINC001232349238 978034752 /nfs/dbraw/zinc/03/47/52/978034752.db2.gz AOFQEZAIRABAMN-UHFFFAOYSA-N 1 2 244.363 2.180 20 30 BEEDLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673562 978229292 /nfs/dbraw/zinc/22/92/92/978229292.db2.gz JFCURHFJEFPZTE-SKDRFNHKSA-N 1 2 234.274 2.196 20 30 BEEDLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673562 978229300 /nfs/dbraw/zinc/22/93/00/978229300.db2.gz JFCURHFJEFPZTE-SKDRFNHKSA-N 1 2 234.274 2.196 20 30 BEEDLO CNc1ccccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001232673261 978235692 /nfs/dbraw/zinc/23/56/92/978235692.db2.gz WQCSLYQKWPFURF-LBPRGKRZSA-N 1 2 229.327 2.464 20 30 BEEDLO CNc1ccccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001232673261 978235704 /nfs/dbraw/zinc/23/57/04/978235704.db2.gz WQCSLYQKWPFURF-LBPRGKRZSA-N 1 2 229.327 2.464 20 30 BEEDLO N#Cc1ccc(O)c(C[NH+]2CC3(CCC3)C2)c1 ZINC001232674933 978239763 /nfs/dbraw/zinc/23/97/63/978239763.db2.gz HDVBXXXGKNULSR-UHFFFAOYSA-N 1 2 228.295 2.250 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1 ZINC001232678227 978244785 /nfs/dbraw/zinc/24/47/85/978244785.db2.gz RALRXKBBYWIDJP-YPMHNXCESA-N 1 2 228.295 2.248 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1 ZINC001232678227 978244791 /nfs/dbraw/zinc/24/47/91/978244791.db2.gz RALRXKBBYWIDJP-YPMHNXCESA-N 1 2 228.295 2.248 20 30 BEEDLO C=CCN1CC[NH+](Cc2cc(C)cc(O)c2)CC1 ZINC001232880392 978318745 /nfs/dbraw/zinc/31/87/45/978318745.db2.gz JPIVTQCGPADVCP-UHFFFAOYSA-N 1 2 246.354 2.004 20 30 BEEDLO N#CC1CC[NH+](Cc2cccc(O)c2F)CC1 ZINC001233049253 978440474 /nfs/dbraw/zinc/44/04/74/978440474.db2.gz ADZIWUQZQGVTLI-UHFFFAOYSA-N 1 2 234.274 2.267 20 30 BEEDLO C=C1CC=C(F)C=C1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177929771 978478954 /nfs/dbraw/zinc/47/89/54/978478954.db2.gz QWMKRYIDUYBXDR-SNVBAGLBSA-N 1 2 247.273 2.258 20 30 BEEDLO N#C[C@@H]1CCCCN1Cc1cccc2[nH+]ccn21 ZINC001233363142 978575797 /nfs/dbraw/zinc/57/57/97/978575797.db2.gz JSMIHNRRKCADBD-LBPRGKRZSA-N 1 2 240.310 2.212 20 30 BEEDLO C=CCCC(=O)Nc1c(C)c[nH+]cc1C ZINC001338991832 978769178 /nfs/dbraw/zinc/76/91/78/978769178.db2.gz HYOLWNMQBLVXLD-UHFFFAOYSA-N 1 2 204.273 2.025 20 30 BEEDLO C[C@@H](C(=O)Nc1ccsc1C#N)[NH+]1CCCC1 ZINC001180575164 978896940 /nfs/dbraw/zinc/89/69/40/978896940.db2.gz HJVUJJNBMAPRNO-VIFPVBQESA-N 1 2 249.339 2.043 20 30 BEEDLO C=CCCCCCN(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC001339951838 978946717 /nfs/dbraw/zinc/94/67/17/978946717.db2.gz NENXWQNGJZIJFY-SNVBAGLBSA-N 1 2 248.317 2.174 20 30 BEEDLO CCCCCCC[C@H](C)C(=O)NC1C[NH+](C)C1 ZINC001181122718 979010041 /nfs/dbraw/zinc/01/00/41/979010041.db2.gz WZGABAUKCMIVQY-LBPRGKRZSA-N 1 2 240.391 2.413 20 30 BEEDLO N#CCc1ccccc1C[NH+]1CC2(C1)CCCO2 ZINC001235516204 979059894 /nfs/dbraw/zinc/05/98/94/979059894.db2.gz UAEJKEGSZORXIJ-UHFFFAOYSA-N 1 2 242.322 2.117 20 30 BEEDLO Cc1ncn(C)c1C[N@H+](CCC#N)C1CCCC1 ZINC001235543008 979086310 /nfs/dbraw/zinc/08/63/10/979086310.db2.gz KYWVDKLOUJXKKT-UHFFFAOYSA-N 1 2 246.358 2.387 20 30 BEEDLO Cc1ncn(C)c1C[N@@H+](CCC#N)C1CCCC1 ZINC001235543008 979086327 /nfs/dbraw/zinc/08/63/27/979086327.db2.gz KYWVDKLOUJXKKT-UHFFFAOYSA-N 1 2 246.358 2.387 20 30 BEEDLO C=CCC(F)(F)C(=O)Nc1c(C)c[nH+]cc1C ZINC001340810654 979117818 /nfs/dbraw/zinc/11/78/18/979117818.db2.gz OFYRTWUWZLYRDG-UHFFFAOYSA-N 1 2 240.253 2.270 20 30 BEEDLO CN(C)c1ncc(C=[NH+]OC(C)(C)C)s1 ZINC001341308560 979327722 /nfs/dbraw/zinc/32/77/22/979327722.db2.gz MFYVKMRCRZYBAC-UHFFFAOYSA-N 1 2 227.333 2.358 20 30 BEEDLO Cc1ccc(Nc2cnn(C)c2C#N)c(C)[nH+]1 ZINC001203369734 979461548 /nfs/dbraw/zinc/46/15/48/979461548.db2.gz SBUGDPBFYHHNEM-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO N#CCc1cccc(-c2ccc(N)[nH+]c2)c1 ZINC001236313406 979520765 /nfs/dbraw/zinc/52/07/65/979520765.db2.gz PYLZITRNSGYFDU-UHFFFAOYSA-N 1 2 209.252 2.397 20 30 BEEDLO N#Cc1cc(C#N)cc(-c2ccc(N)[nH+]c2)c1 ZINC001236313162 979521474 /nfs/dbraw/zinc/52/14/74/979521474.db2.gz IKYOHOYAYNOVSG-UHFFFAOYSA-N 1 2 220.235 2.074 20 30 BEEDLO CO/N=C/c1cc(-c2ccc(N)[nH+]c2)ccc1F ZINC001236319229 979531532 /nfs/dbraw/zinc/53/15/32/979531532.db2.gz WUHUBMURMIEGPL-CAOOACKPSA-N 1 2 245.257 2.450 20 30 BEEDLO C[C@]1(F)CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC001237459927 979905778 /nfs/dbraw/zinc/90/57/78/979905778.db2.gz XTTCWIOHXPXAPD-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@]1(F)CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC001237459927 979905783 /nfs/dbraw/zinc/90/57/83/979905783.db2.gz XTTCWIOHXPXAPD-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO CCCCN(CC#N)Cc1c[nH+]cn1CC ZINC001237597780 979952897 /nfs/dbraw/zinc/95/28/97/979952897.db2.gz YCTIZMBQEHJYAX-UHFFFAOYSA-N 1 2 220.320 2.029 20 30 BEEDLO COc1ccoc1C[NH+]1CCC(C#N)CC1 ZINC001237863155 980101898 /nfs/dbraw/zinc/10/18/98/980101898.db2.gz LGNZGLHQQRECAJ-UHFFFAOYSA-N 1 2 220.272 2.024 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc(O)ccc1C ZINC001238093019 980142322 /nfs/dbraw/zinc/14/23/22/980142322.db2.gz BYPOCWXDZUPBMA-UHFFFAOYSA-N 1 2 218.300 2.436 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc(O)ccc1C ZINC001238093019 980142324 /nfs/dbraw/zinc/14/23/24/980142324.db2.gz BYPOCWXDZUPBMA-UHFFFAOYSA-N 1 2 218.300 2.436 20 30 BEEDLO C[N@H+](Cc1ccc(Cl)c(C#N)c1)C1COC1 ZINC001238194883 980225998 /nfs/dbraw/zinc/22/59/98/980225998.db2.gz UZDHPMPQGHCFEY-UHFFFAOYSA-N 1 2 236.702 2.042 20 30 BEEDLO C[N@@H+](Cc1ccc(Cl)c(C#N)c1)C1COC1 ZINC001238194883 980226011 /nfs/dbraw/zinc/22/60/11/980226011.db2.gz UZDHPMPQGHCFEY-UHFFFAOYSA-N 1 2 236.702 2.042 20 30 BEEDLO CCc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)ccc1C#N ZINC001238777302 980320517 /nfs/dbraw/zinc/32/05/17/980320517.db2.gz DDTNPQINVKTUQI-GJZGRUSLSA-N 1 2 242.322 2.094 20 30 BEEDLO CCc1cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)ccc1C#N ZINC001238777302 980320525 /nfs/dbraw/zinc/32/05/25/980320525.db2.gz DDTNPQINVKTUQI-GJZGRUSLSA-N 1 2 242.322 2.094 20 30 BEEDLO CCc1cc(C[N@@H+]2CCO[C@H](C)C2)ccc1C#N ZINC001238767704 980321049 /nfs/dbraw/zinc/32/10/49/980321049.db2.gz YTTKPJHLEWJJIN-GFCCVEGCSA-N 1 2 244.338 2.341 20 30 BEEDLO CCc1cc(C[N@H+]2CCO[C@H](C)C2)ccc1C#N ZINC001238767704 980321054 /nfs/dbraw/zinc/32/10/54/980321054.db2.gz YTTKPJHLEWJJIN-GFCCVEGCSA-N 1 2 244.338 2.341 20 30 BEEDLO CN(C)/C=[NH+]/c1ccc(C2=CCOC2)cc1C#N ZINC001239488833 980643942 /nfs/dbraw/zinc/64/39/42/980643942.db2.gz CYFYZKWNJUYPSO-MHWRWJLKSA-N 1 2 241.294 2.193 20 30 BEEDLO C=C(CC)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001346403987 980827100 /nfs/dbraw/zinc/82/71/00/980827100.db2.gz NLOBKLPVFIOUJS-LLVKDONJSA-N 1 2 233.315 2.082 20 30 BEEDLO C[N@H+](CCC#N)Cc1ccccc1-n1cccn1 ZINC000157762670 981003732 /nfs/dbraw/zinc/00/37/32/981003732.db2.gz ZWPHPHKIXOVTQM-UHFFFAOYSA-N 1 2 240.310 2.218 20 30 BEEDLO C[N@@H+](CCC#N)Cc1ccccc1-n1cccn1 ZINC000157762670 981003737 /nfs/dbraw/zinc/00/37/37/981003737.db2.gz ZWPHPHKIXOVTQM-UHFFFAOYSA-N 1 2 240.310 2.218 20 30 BEEDLO Cc1nc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)no1 ZINC001347237186 981016885 /nfs/dbraw/zinc/01/68/85/981016885.db2.gz FSQMMCGNQSLWBJ-GDPRMGEGSA-N 1 2 234.303 2.111 20 30 BEEDLO N#Cc1cc(F)cnc1-c1ccc2[nH+]ccn2c1 ZINC001240214015 981161312 /nfs/dbraw/zinc/16/13/12/981161312.db2.gz JLOKZCAOIIZBOQ-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1noc(C)n1 ZINC001193238288 981278656 /nfs/dbraw/zinc/27/86/56/981278656.db2.gz IJNYFVXYFPLDDD-VWYCJHECSA-N 1 2 234.303 2.111 20 30 BEEDLO Cc1nnc(-c2ccn3cc[nH+]c3c2)c(C#N)c1C ZINC001240495931 981415760 /nfs/dbraw/zinc/41/57/60/981415760.db2.gz APEMUOMKCVJEPU-UHFFFAOYSA-N 1 2 249.277 2.280 20 30 BEEDLO C=C(CC)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001349312860 981530929 /nfs/dbraw/zinc/53/09/29/981530929.db2.gz XHTPYEXBGSIHRJ-STQMWFEESA-N 1 2 247.342 2.259 20 30 BEEDLO N#CCc1ccc(-c2cc[nH+]c(N)c2)cc1C#N ZINC001241161868 982297890 /nfs/dbraw/zinc/29/78/90/982297890.db2.gz AFUDJPVIQWTUFT-UHFFFAOYSA-N 1 2 234.262 2.269 20 30 BEEDLO C#Cc1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC001201284703 983156657 /nfs/dbraw/zinc/15/66/57/983156657.db2.gz WNFLTDCKZOWMCP-UHFFFAOYSA-N 1 2 209.252 2.389 20 30 BEEDLO Cc1coc(Nc2ccc(N)[nH+]c2)c1C#N ZINC001201278496 983177932 /nfs/dbraw/zinc/17/79/32/983177932.db2.gz CEGCRLGEUQWZKL-UHFFFAOYSA-N 1 2 214.228 2.181 20 30 BEEDLO Cc1[nH]c(CNc2nc(C)ccc2C#N)[nH+]c1C ZINC001354266084 983238129 /nfs/dbraw/zinc/23/81/29/983238129.db2.gz FYRHTOGBKDQEJO-UHFFFAOYSA-N 1 2 241.298 2.214 20 30 BEEDLO N#Cc1cncc(-c2ccn3cc[nH+]c3c2)c1 ZINC001242273316 983494722 /nfs/dbraw/zinc/49/47/22/983494722.db2.gz HAQPDKRIGCEMDP-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO N#Cc1cncc(-c2cccc3[nH+]ccn32)c1 ZINC001242273270 983495336 /nfs/dbraw/zinc/49/53/36/983495336.db2.gz ZROKJCTYGKCXHP-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO COc1cccc(-c2ccc[nH+]c2N)c1C#N ZINC001242298601 983524671 /nfs/dbraw/zinc/52/46/71/983524671.db2.gz RQLQDTPDUWVEMJ-UHFFFAOYSA-N 1 2 225.251 2.211 20 30 BEEDLO N#Cc1ncccc1-c1cccc2[nH+]ccn21 ZINC001242311513 983541742 /nfs/dbraw/zinc/54/17/42/983541742.db2.gz ZAPHCOUQQFCZHV-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO CC1(C)CC(=O)C=C(c2cc[nH+]c(N)c2)C1 ZINC001242315418 983547616 /nfs/dbraw/zinc/54/76/16/983547616.db2.gz FHBGQWYFALNCPZ-UHFFFAOYSA-N 1 2 216.284 2.436 20 30 BEEDLO C=C(C)CCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001357880891 983799567 /nfs/dbraw/zinc/79/95/67/983799567.db2.gz QGBJEPJFABYKNP-UHFFFAOYSA-N 1 2 247.342 2.403 20 30 BEEDLO C=C[C@@](C)(O)CNc1ccc[nH+]c1N1CCCC1 ZINC001252542819 983808937 /nfs/dbraw/zinc/80/89/37/983808937.db2.gz JEJIYBVTZWTTHS-CQSZACIVSA-N 1 2 247.342 2.031 20 30 BEEDLO C=CCC[C@@H](O)CNc1cccc2[nH+]ccn21 ZINC001252586579 983837358 /nfs/dbraw/zinc/83/73/58/983837358.db2.gz KBFASGUYDFIHFW-LLVKDONJSA-N 1 2 231.299 2.073 20 30 BEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C=C(C)C ZINC001570696486 984027096 /nfs/dbraw/zinc/02/70/96/984027096.db2.gz ZVSWMSANQUKGQN-NSHDSACASA-N 1 2 244.766 2.142 20 30 BEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C=C(C)C ZINC001570696486 984027105 /nfs/dbraw/zinc/02/71/05/984027105.db2.gz ZVSWMSANQUKGQN-NSHDSACASA-N 1 2 244.766 2.142 20 30 BEEDLO N#Cc1ccccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001242714276 984064791 /nfs/dbraw/zinc/06/47/91/984064791.db2.gz GIAAMKMCXVCRBQ-UHFFFAOYSA-N 1 2 234.262 2.455 20 30 BEEDLO O=C1C=C2C[N@@H+](CC3CCC3)CC[C@@H]2S1 ZINC001202706094 984160027 /nfs/dbraw/zinc/16/00/27/984160027.db2.gz OSSCPMADVDNBPH-NSHDSACASA-N 1 2 223.341 2.061 20 30 BEEDLO O=C1C=C2C[N@H+](CC3CCC3)CC[C@@H]2S1 ZINC001202706094 984160033 /nfs/dbraw/zinc/16/00/33/984160033.db2.gz OSSCPMADVDNBPH-NSHDSACASA-N 1 2 223.341 2.061 20 30 BEEDLO Cc1cc(-c2c[nH+]cn2C)ccc1CC#N ZINC001243068049 984482385 /nfs/dbraw/zinc/48/23/85/984482385.db2.gz UDQAERSRVUIOAR-UHFFFAOYSA-N 1 2 211.268 2.462 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc(CC#N)c(F)c1 ZINC001243068889 984488247 /nfs/dbraw/zinc/48/82/47/984488247.db2.gz KWDNGWCKBLGRMN-UHFFFAOYSA-N 1 2 215.231 2.292 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc(CC#N)c(C#N)c1 ZINC001243069023 984489825 /nfs/dbraw/zinc/48/98/25/984489825.db2.gz MXXACVHIGNKVMV-UHFFFAOYSA-N 1 2 222.251 2.025 20 30 BEEDLO N#Cc1c(F)cccc1-c1ccc[nH+]c1N ZINC001243473510 985021935 /nfs/dbraw/zinc/02/19/35/985021935.db2.gz BRZHDICZOWTPTB-UHFFFAOYSA-N 1 2 213.215 2.342 20 30 BEEDLO N#Cc1cc(C#N)cc(-c2ccc[nH+]c2N)c1 ZINC001243475940 985033485 /nfs/dbraw/zinc/03/34/85/985033485.db2.gz MUHZZLQVACWNGB-UHFFFAOYSA-N 1 2 220.235 2.074 20 30 BEEDLO CC(C)c1[nH]cc(CNc2ccc(C#N)cn2)[nH+]1 ZINC001458643663 985340111 /nfs/dbraw/zinc/34/01/11/985340111.db2.gz UTNALTXDOBONCK-UHFFFAOYSA-N 1 2 241.298 2.412 20 30 BEEDLO CC(C)c1[nH]c(CNc2ccc(C#N)cn2)c[nH+]1 ZINC001458643663 985340114 /nfs/dbraw/zinc/34/01/14/985340114.db2.gz UTNALTXDOBONCK-UHFFFAOYSA-N 1 2 241.298 2.412 20 30 BEEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CC1CC1)C(=O)OCC ZINC001258453654 985898847 /nfs/dbraw/zinc/89/88/47/985898847.db2.gz BYXSXPBXYVPGKF-ZKYQVNSYSA-N 1 2 237.343 2.272 20 30 BEEDLO C=C[C@H](O)CNc1ccc2ccc[nH+]c2c1 ZINC001253589707 986187611 /nfs/dbraw/zinc/18/76/11/986187611.db2.gz PGBGGBWSHKDUPA-LBPRGKRZSA-N 1 2 214.268 2.194 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(F)c(F)cc1O ZINC001462044020 986273074 /nfs/dbraw/zinc/27/30/74/986273074.db2.gz GKSZRYGJBAXOQT-VIFPVBQESA-N 1 2 240.253 2.452 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)C2=CCCCCC2)C1 ZINC001042653489 986330811 /nfs/dbraw/zinc/33/08/11/986330811.db2.gz SXABQGABKJBEII-UHFFFAOYSA-N 1 2 248.370 2.206 20 30 BEEDLO Cc1cc(-c2cc(CC#N)ccn2)c[nH+]c1N ZINC001245535632 986908499 /nfs/dbraw/zinc/90/84/99/986908499.db2.gz MKQUDZUWUDQOPR-UHFFFAOYSA-N 1 2 224.267 2.100 20 30 BEEDLO Cc1cc(-c2ccc3c(C#N)c[nH]c3n2)c[nH+]c1N ZINC001245536722 986912941 /nfs/dbraw/zinc/91/29/41/986912941.db2.gz YNGGVAYCFWTXNC-UHFFFAOYSA-N 1 2 249.277 2.387 20 30 BEEDLO Cc1cc(-c2cccc(/C=N/O)c2)c[nH+]c1N ZINC001245540672 986923299 /nfs/dbraw/zinc/92/32/99/986923299.db2.gz XTQKPPLVGURCNB-FRKPEAEDSA-N 1 2 227.267 2.447 20 30 BEEDLO Cc1cc(-c2ccc(C#N)c(F)n2)c[nH+]c1N ZINC001245539985 986924309 /nfs/dbraw/zinc/92/43/09/986924309.db2.gz ZLYVSAGNXNEQFQ-UHFFFAOYSA-N 1 2 228.230 2.045 20 30 BEEDLO Cc1cc(-c2cnccc2CC#N)c[nH+]c1N ZINC001245540686 986925068 /nfs/dbraw/zinc/92/50/68/986925068.db2.gz YJCSHIVLJCIWAX-UHFFFAOYSA-N 1 2 224.267 2.100 20 30 BEEDLO Cc1cc(-c2ccc(CC#N)nc2)c[nH+]c1N ZINC001245539152 986928030 /nfs/dbraw/zinc/92/80/30/986928030.db2.gz RRMQEFPZSPIHQY-UHFFFAOYSA-N 1 2 224.267 2.100 20 30 BEEDLO N#Cc1ccc(F)cc1NCc1ccc[nH+]c1N ZINC001472786238 987281728 /nfs/dbraw/zinc/28/17/28/987281728.db2.gz KMNJHFMKGYHPTB-UHFFFAOYSA-N 1 2 242.257 2.287 20 30 BEEDLO N#Cc1cnccc1C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001473294082 987390229 /nfs/dbraw/zinc/39/02/29/987390229.db2.gz GNHLNPSPJZAEIQ-NEPJUHHUSA-N 1 2 249.264 2.040 20 30 BEEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001473294082 987390230 /nfs/dbraw/zinc/39/02/30/987390230.db2.gz GNHLNPSPJZAEIQ-NEPJUHHUSA-N 1 2 249.264 2.040 20 30 BEEDLO Cc1cnc(CC[N@@H+]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000401187637 987397492 /nfs/dbraw/zinc/39/74/92/987397492.db2.gz ZJEACPJILLRQNR-AWEZNQCLSA-N 1 2 243.354 2.477 20 30 BEEDLO Cc1cnc(CC[N@H+]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000401187637 987397493 /nfs/dbraw/zinc/39/74/93/987397493.db2.gz ZJEACPJILLRQNR-AWEZNQCLSA-N 1 2 243.354 2.477 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(CC(C)C)nc1 ZINC001474354659 987695619 /nfs/dbraw/zinc/69/56/19/987695619.db2.gz BWWHBBSLEDCCCO-UHFFFAOYSA-N 1 2 240.350 2.349 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CCc1cc(C)cc(C)c1 ZINC001474573843 987765375 /nfs/dbraw/zinc/76/53/75/987765375.db2.gz HUHOLIVMPPKVMF-INIZCTEOSA-N 1 2 243.350 2.180 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CCc1cc(C)cc(C)c1 ZINC001474573843 987765388 /nfs/dbraw/zinc/76/53/88/987765388.db2.gz HUHOLIVMPPKVMF-INIZCTEOSA-N 1 2 243.350 2.180 20 30 BEEDLO CCCCCC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246591474 988170295 /nfs/dbraw/zinc/17/02/95/988170295.db2.gz ITRPKJVUZHQRHY-OLZOCXBDSA-N 1 2 223.364 2.143 20 30 BEEDLO CN(C)c1ncccc1C=[NH+]O[C@@H]1CCCCO1 ZINC001323617653 988569092 /nfs/dbraw/zinc/56/90/92/988569092.db2.gz INLUQLHQWGIFKR-GFCCVEGCSA-N 1 2 249.314 2.025 20 30 BEEDLO CN(C)c1ncccc1C=[NH+]O[C@H]1CCCCO1 ZINC001323617654 988569786 /nfs/dbraw/zinc/56/97/86/988569786.db2.gz INLUQLHQWGIFKR-LBPRGKRZSA-N 1 2 249.314 2.025 20 30 BEEDLO CCC[C@@H](C)CC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246887463 988655011 /nfs/dbraw/zinc/65/50/11/988655011.db2.gz OQGGGFNQHKUVPI-MCIONIFRSA-N 1 2 237.391 2.389 20 30 BEEDLO CN(C)c1ncccc1C=[NH+]OC/C=C\Cl ZINC001324221367 988762294 /nfs/dbraw/zinc/76/22/94/988762294.db2.gz VCHCKSKRBHPKLG-MRPIUGGPSA-N 1 2 239.706 2.251 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@H+](C)CCC#N ZINC001248743177 989142015 /nfs/dbraw/zinc/14/20/15/989142015.db2.gz QQWDZWVPWHXEIQ-UHFFFAOYSA-N 1 2 227.311 2.466 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@@H+](C)CCC#N ZINC001248743177 989142026 /nfs/dbraw/zinc/14/20/26/989142026.db2.gz QQWDZWVPWHXEIQ-UHFFFAOYSA-N 1 2 227.311 2.466 20 30 BEEDLO C=CC[N@@H+](C)CN1CC[C@H](c2ccccc2)C1=O ZINC001325853924 989285829 /nfs/dbraw/zinc/28/58/29/989285829.db2.gz LHOMMYWHJAGLKI-CQSZACIVSA-N 1 2 244.338 2.078 20 30 BEEDLO C=CC[N@H+](C)CN1CC[C@H](c2ccccc2)C1=O ZINC001325853924 989285834 /nfs/dbraw/zinc/28/58/34/989285834.db2.gz LHOMMYWHJAGLKI-CQSZACIVSA-N 1 2 244.338 2.078 20 30 BEEDLO C#CC[N@H+](CC1CC1)[C@H](C)c1nc(C2CC2)no1 ZINC001325994117 989320308 /nfs/dbraw/zinc/32/03/08/989320308.db2.gz FGMIVOTWYBFXAS-SNVBAGLBSA-N 1 2 245.326 2.353 20 30 BEEDLO C#CC[N@@H+](CC1CC1)[C@H](C)c1nc(C2CC2)no1 ZINC001325994117 989320311 /nfs/dbraw/zinc/32/03/11/989320311.db2.gz FGMIVOTWYBFXAS-SNVBAGLBSA-N 1 2 245.326 2.353 20 30 BEEDLO CC#CCCCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001519583388 989435796 /nfs/dbraw/zinc/43/57/96/989435796.db2.gz GUSAVPABCAGFQJ-UHFFFAOYSA-N 1 2 248.326 2.355 20 30 BEEDLO C=C1CCC(CNC(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001119973013 989530585 /nfs/dbraw/zinc/53/05/85/989530585.db2.gz LKWRPSPBOAGXAV-LBPRGKRZSA-N 1 2 247.342 2.307 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1ccnc(OC)c1F ZINC001120052723 989582827 /nfs/dbraw/zinc/58/28/27/989582827.db2.gz YYAPVQWVFOAOPS-UHFFFAOYSA-N 1 2 224.279 2.237 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1ccnc(OC)c1F ZINC001120052723 989582833 /nfs/dbraw/zinc/58/28/33/989582833.db2.gz YYAPVQWVFOAOPS-UHFFFAOYSA-N 1 2 224.279 2.237 20 30 BEEDLO C=CC(C)(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001539935256 990584817 /nfs/dbraw/zinc/58/48/17/990584817.db2.gz JAWOSWLEURYUJM-UHFFFAOYSA-N 1 2 229.283 2.485 20 30 BEEDLO C[N@H+](CCC#N)C[C@]1(C)CC1(Cl)Cl ZINC000828015690 990816528 /nfs/dbraw/zinc/81/65/28/990816528.db2.gz JMXHZRMRAVAQFR-QMMMGPOBSA-N 1 2 221.131 2.416 20 30 BEEDLO C[N@@H+](CCC#N)C[C@]1(C)CC1(Cl)Cl ZINC000828015690 990816530 /nfs/dbraw/zinc/81/65/30/990816530.db2.gz JMXHZRMRAVAQFR-QMMMGPOBSA-N 1 2 221.131 2.416 20 30 BEEDLO CCOc1cccc(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001138101246 990882257 /nfs/dbraw/zinc/88/22/57/990882257.db2.gz SLURDXQLQLFNFU-CYBMUJFWSA-N 1 2 230.311 2.431 20 30 BEEDLO CCOc1cccc(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001138101246 990882259 /nfs/dbraw/zinc/88/22/59/990882259.db2.gz SLURDXQLQLFNFU-CYBMUJFWSA-N 1 2 230.311 2.431 20 30 BEEDLO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C#N)C2)s1 ZINC001138492381 990964876 /nfs/dbraw/zinc/96/48/76/990964876.db2.gz ARFHRSVFDOOAFW-JTQLQIEISA-N 1 2 235.356 2.160 20 30 BEEDLO CN(C)c1ccc(C[N@H+]2CC[C@@H](C#N)C2)s1 ZINC001138492381 990964888 /nfs/dbraw/zinc/96/48/88/990964888.db2.gz ARFHRSVFDOOAFW-JTQLQIEISA-N 1 2 235.356 2.160 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cc(O)cc(Cl)c1 ZINC001308505734 991013965 /nfs/dbraw/zinc/01/39/65/991013965.db2.gz KJUGWYPRVHVIQF-QMMMGPOBSA-N 1 2 224.691 2.437 20 30 BEEDLO CCOC(=O)CCC[C@H](C)[NH2+][C@@H](C#N)CC ZINC001258111709 991020367 /nfs/dbraw/zinc/02/03/67/991020367.db2.gz LCNLALCQRIORON-WDEREUQCSA-N 1 2 226.320 2.000 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138739974 991027004 /nfs/dbraw/zinc/02/70/04/991027004.db2.gz JIKZHSACBPFNHV-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc3[nH]ccc3c2)C1 ZINC001138739974 991027013 /nfs/dbraw/zinc/02/70/13/991027013.db2.gz JIKZHSACBPFNHV-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO COc1ccccc1Cc1cn(CC#N)c[nH+]1 ZINC001559479278 991116438 /nfs/dbraw/zinc/11/64/38/991116438.db2.gz YPVFXTJGSJWCPW-UHFFFAOYSA-N 1 2 227.267 2.006 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCCC23COC3)cc1F ZINC001139527555 991261142 /nfs/dbraw/zinc/26/11/42/991261142.db2.gz IEAPZZHFYDDJOX-UHFFFAOYSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCCC23COC3)cc1F ZINC001139527555 991261152 /nfs/dbraw/zinc/26/11/52/991261152.db2.gz IEAPZZHFYDDJOX-UHFFFAOYSA-N 1 2 246.285 2.062 20 30 BEEDLO CCCCC[C@@H](CC)[NH2+][C@@H](CS)C(=O)OC ZINC001258427542 991354692 /nfs/dbraw/zinc/35/46/92/991354692.db2.gz FXPLEUXEJHMORQ-MNOVXSKESA-N 1 2 247.404 2.406 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ccnc(SC)n1 ZINC001140035832 991493073 /nfs/dbraw/zinc/49/30/73/991493073.db2.gz QETJQXQQFCEGGX-UHFFFAOYSA-N 1 2 235.356 2.373 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC3(CSC3)C2)c(F)c1 ZINC001140140003 991540443 /nfs/dbraw/zinc/54/04/43/991540443.db2.gz RNGHPAPMUHEWJQ-UHFFFAOYSA-N 1 2 248.326 2.246 20 30 BEEDLO C=CCC[C@H](C)[NH2+]C1(C#N)CCOCC1 ZINC001258723188 991655649 /nfs/dbraw/zinc/65/56/49/991655649.db2.gz SWVHBVVOOAJMNG-NSHDSACASA-N 1 2 208.305 2.003 20 30 BEEDLO C=CCC[C@H](C)[NH2+][C@@]1(C(=O)OCC)C[C@H]1C=C ZINC001258722303 991656366 /nfs/dbraw/zinc/65/63/66/991656366.db2.gz NQMAWEZQGJTDPW-SCRDCRAPSA-N 1 2 237.343 2.439 20 30 BEEDLO C=CCC[C@@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001258725506 991663820 /nfs/dbraw/zinc/66/38/20/991663820.db2.gz LXKQEBOVSPRISD-ZJUUUORDSA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCC[C@@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001258725506 991663829 /nfs/dbraw/zinc/66/38/29/991663829.db2.gz LXKQEBOVSPRISD-ZJUUUORDSA-N 1 2 219.275 2.043 20 30 BEEDLO COc1cc[nH+]c(Nc2cnc(C#N)c(F)c2)c1 ZINC001203048667 991676455 /nfs/dbraw/zinc/67/64/55/991676455.db2.gz CEBRQXMUTFXEOV-UHFFFAOYSA-N 1 2 244.229 2.240 20 30 BEEDLO C#CC[N@@H+](Cc1noc2c1CCCC2)CC1CC1 ZINC001319667476 991928787 /nfs/dbraw/zinc/92/87/87/991928787.db2.gz YBRZEYLDXSRKRK-UHFFFAOYSA-N 1 2 244.338 2.399 20 30 BEEDLO C#CC[N@H+](Cc1noc2c1CCCC2)CC1CC1 ZINC001319667476 991928800 /nfs/dbraw/zinc/92/88/00/991928800.db2.gz YBRZEYLDXSRKRK-UHFFFAOYSA-N 1 2 244.338 2.399 20 30 BEEDLO C=CC[C@H]([NH2+]C1CC(C(F)F)C1)C(=O)OCC ZINC001320788222 992357206 /nfs/dbraw/zinc/35/72/06/992357206.db2.gz OBTGIDLVFGHFNH-RTBKNWGFSA-N 1 2 247.285 2.128 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001321087359 992452834 /nfs/dbraw/zinc/45/28/34/992452834.db2.gz NYSSYGTYLNOSIV-RYUDHWBXSA-N 1 2 233.315 2.011 20 30 BEEDLO Cc1cc(F)cc(N2CCC(C#N)CC2)[nH+]1 ZINC001262681354 993021085 /nfs/dbraw/zinc/02/10/85/993021085.db2.gz KAVPEZPMJGAGTR-UHFFFAOYSA-N 1 2 219.263 2.269 20 30 BEEDLO C=CC(C)(C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000628314048 349434479 /nfs/dbraw/zinc/43/44/79/349434479.db2.gz LLWOZSHEHBDKAK-UHFFFAOYSA-N 1 2 235.331 2.061 20 30 BEEDLO C=CC(C)(C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000628314048 349434480 /nfs/dbraw/zinc/43/44/80/349434480.db2.gz LLWOZSHEHBDKAK-UHFFFAOYSA-N 1 2 235.331 2.061 20 30 BEEDLO C#CC[NH+](CC#C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000299282075 136209312 /nfs/dbraw/zinc/20/93/12/136209312.db2.gz NEFYPYMGBBHXBP-GFCCVEGCSA-N 1 2 242.278 2.224 20 30 BEEDLO N#Cc1ccc(C[NH2+]C(CF)CF)cc1F ZINC000421378108 192322730 /nfs/dbraw/zinc/32/27/30/192322730.db2.gz GWIXATHVXMHNSG-UHFFFAOYSA-N 1 2 228.217 2.095 20 30 BEEDLO C#CC[N@H+](Cc1cn2ccccc2c1C#N)C1CC1 ZINC000274119380 398150406 /nfs/dbraw/zinc/15/04/06/398150406.db2.gz GQILMXOBJUQOBO-UHFFFAOYSA-N 1 2 249.317 2.409 20 30 BEEDLO C#CC[N@@H+](Cc1cn2ccccc2c1C#N)C1CC1 ZINC000274119380 398150410 /nfs/dbraw/zinc/15/04/10/398150410.db2.gz GQILMXOBJUQOBO-UHFFFAOYSA-N 1 2 249.317 2.409 20 30 BEEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1ncc(CC)s1 ZINC000649337009 398154486 /nfs/dbraw/zinc/15/44/86/398154486.db2.gz IVNPEAWMILZEIO-NSHDSACASA-N 1 2 240.372 2.074 20 30 BEEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1ncc(CC)s1 ZINC000649337009 398154487 /nfs/dbraw/zinc/15/44/87/398154487.db2.gz IVNPEAWMILZEIO-NSHDSACASA-N 1 2 240.372 2.074 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000382485185 398173546 /nfs/dbraw/zinc/17/35/46/398173546.db2.gz TXSZXCLPTZZDHT-GFCCVEGCSA-N 1 2 237.343 2.392 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000382485185 398173549 /nfs/dbraw/zinc/17/35/49/398173549.db2.gz TXSZXCLPTZZDHT-GFCCVEGCSA-N 1 2 237.343 2.392 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000382485188 398173609 /nfs/dbraw/zinc/17/36/09/398173609.db2.gz TXSZXCLPTZZDHT-LBPRGKRZSA-N 1 2 237.343 2.392 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000382485188 398173611 /nfs/dbraw/zinc/17/36/11/398173611.db2.gz TXSZXCLPTZZDHT-LBPRGKRZSA-N 1 2 237.343 2.392 20 30 BEEDLO CC#CC[N@@H+](C)Cc1oc(CCC)nc1C ZINC000339758311 398165703 /nfs/dbraw/zinc/16/57/03/398165703.db2.gz PFJMMOFTVFKYHH-UHFFFAOYSA-N 1 2 220.316 2.391 20 30 BEEDLO CC#CC[N@H+](C)Cc1oc(CCC)nc1C ZINC000339758311 398165706 /nfs/dbraw/zinc/16/57/06/398165706.db2.gz PFJMMOFTVFKYHH-UHFFFAOYSA-N 1 2 220.316 2.391 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](F)C2)c(F)c1 ZINC000335408258 398202325 /nfs/dbraw/zinc/20/23/25/398202325.db2.gz YTZMYFRSKORXAN-LLVKDONJSA-N 1 2 222.238 2.241 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(F)c1 ZINC000335408258 398202328 /nfs/dbraw/zinc/20/23/28/398202328.db2.gz YTZMYFRSKORXAN-LLVKDONJSA-N 1 2 222.238 2.241 20 30 BEEDLO CCN(CCC#N)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602438959 349525200 /nfs/dbraw/zinc/52/52/00/349525200.db2.gz SXWUSZKBGGWIAP-GFCCVEGCSA-N 1 2 232.331 2.107 20 30 BEEDLO C#CC[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000185248118 136230065 /nfs/dbraw/zinc/23/00/65/136230065.db2.gz UEZMCDOCYDGWFA-JTQLQIEISA-N 1 2 233.315 2.401 20 30 BEEDLO N#CCC[N@@H+](Cc1cccc(C#N)n1)CC1CC1 ZINC000602466688 349540226 /nfs/dbraw/zinc/54/02/26/349540226.db2.gz ZOLNEZXIARXQRC-UHFFFAOYSA-N 1 2 240.310 2.079 20 30 BEEDLO N#CCC[N@H+](Cc1cccc(C#N)n1)CC1CC1 ZINC000602466688 349540228 /nfs/dbraw/zinc/54/02/28/349540228.db2.gz ZOLNEZXIARXQRC-UHFFFAOYSA-N 1 2 240.310 2.079 20 30 BEEDLO C[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@@H](C#N)C2)C1 ZINC000245623603 323007117 /nfs/dbraw/zinc/00/71/17/323007117.db2.gz RZPVGPHMKOCXLX-UPJWGTAASA-N 1 2 222.332 2.037 20 30 BEEDLO C[C@@H]1CCC[C@@H](C[N@H+]2CCO[C@@H](C#N)C2)C1 ZINC000245623603 323007118 /nfs/dbraw/zinc/00/71/18/323007118.db2.gz RZPVGPHMKOCXLX-UPJWGTAASA-N 1 2 222.332 2.037 20 30 BEEDLO Cc1ccc(C#N)cc1NCc1[nH]cc[nH+]1 ZINC000050430059 178367501 /nfs/dbraw/zinc/36/75/01/178367501.db2.gz GSDOOMFAMLZVHS-UHFFFAOYSA-N 1 2 212.256 2.202 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602488059 349568836 /nfs/dbraw/zinc/56/88/36/349568836.db2.gz ZFXSEUFVTUZSQD-NSHDSACASA-N 1 2 240.310 2.077 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602488059 349568839 /nfs/dbraw/zinc/56/88/39/349568839.db2.gz ZFXSEUFVTUZSQD-NSHDSACASA-N 1 2 240.310 2.077 20 30 BEEDLO CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@H](C#N)C1 ZINC000600117236 342673998 /nfs/dbraw/zinc/67/39/98/342673998.db2.gz IRHZLGXQUVWJSW-HZSPNIEDSA-N 1 2 236.359 2.427 20 30 BEEDLO CC[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@H](C#N)C1 ZINC000600117236 342673999 /nfs/dbraw/zinc/67/39/99/342673999.db2.gz IRHZLGXQUVWJSW-HZSPNIEDSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@@H]1CC(=O)C=C(c2ccc[nH+]c2N)C1 ZINC000306648705 361839351 /nfs/dbraw/zinc/83/93/51/361839351.db2.gz DZBZMPWCKAPZEP-QMMMGPOBSA-N 1 2 202.257 2.046 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cnc2ccccc2n1 ZINC000600145961 342690047 /nfs/dbraw/zinc/69/00/47/342690047.db2.gz SMIPUDVTHXCCPO-SNVBAGLBSA-N 1 2 226.283 2.022 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cnc2ccccc2n1 ZINC000600145960 342690062 /nfs/dbraw/zinc/69/00/62/342690062.db2.gz SMIPUDVTHXCCPO-JTQLQIEISA-N 1 2 226.283 2.022 20 30 BEEDLO CN(Cc1[nH+]ccn1C)c1cccc(F)c1C#N ZINC000105828402 398281859 /nfs/dbraw/zinc/28/18/59/398281859.db2.gz BVRGWRLUFMBGBT-UHFFFAOYSA-N 1 2 244.273 2.067 20 30 BEEDLO C=CCCCCNc1cc(CC)[nH+]cn1 ZINC000389678121 539017323 /nfs/dbraw/zinc/01/73/23/539017323.db2.gz DBPMBRLMJLCIOK-UHFFFAOYSA-N 1 2 205.305 2.229 20 30 BEEDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C1CC1 ZINC000602607511 349629681 /nfs/dbraw/zinc/62/96/81/349629681.db2.gz LVMADYOZFTZIOU-YNEHKIRRSA-N 1 2 244.342 2.153 20 30 BEEDLO Cc1ccc(C[NH2+]C[C@@H](C)C#N)c(F)c1 ZINC000602607851 349630806 /nfs/dbraw/zinc/63/08/06/349630806.db2.gz MXABMSQCPBECEC-JTQLQIEISA-N 1 2 206.264 2.383 20 30 BEEDLO C=CCSCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000134584454 342871200 /nfs/dbraw/zinc/87/12/00/342871200.db2.gz CYLNPTCVYFNBGK-SECBINFHSA-N 1 2 225.361 2.288 20 30 BEEDLO COc1cccc(C)c1C[NH2+]C[C@@H](C)C#N ZINC000602607978 349631170 /nfs/dbraw/zinc/63/11/70/349631170.db2.gz OBOBYTOSEMWYFK-JTQLQIEISA-N 1 2 218.300 2.253 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc(F)c1 ZINC000036667663 342909312 /nfs/dbraw/zinc/90/93/12/342909312.db2.gz HBSZEZLDEZHICN-SNVBAGLBSA-N 1 2 206.264 2.417 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc(F)c1 ZINC000036667663 342909314 /nfs/dbraw/zinc/90/93/14/342909314.db2.gz HBSZEZLDEZHICN-SNVBAGLBSA-N 1 2 206.264 2.417 20 30 BEEDLO N#CC1(C[NH2+]Cc2nc3ccccc3o2)CC1 ZINC000602643246 349655193 /nfs/dbraw/zinc/65/51/93/349655193.db2.gz PBCNJMOBESBVBZ-UHFFFAOYSA-N 1 2 227.267 2.221 20 30 BEEDLO CN(CC(C)(C)C#N)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602675476 349668429 /nfs/dbraw/zinc/66/84/29/349668429.db2.gz LJZUMULTWDNIDT-GFCCVEGCSA-N 1 2 246.358 2.353 20 30 BEEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(F)F ZINC000602675582 349669399 /nfs/dbraw/zinc/66/93/99/349669399.db2.gz MJJPLTTYDSSPRS-JTQLQIEISA-N 1 2 246.301 2.330 20 30 BEEDLO CC(C)C1(C[N@@H+]2CC[C@](F)(C#N)C2)CC1 ZINC000602628604 349664964 /nfs/dbraw/zinc/66/49/64/349664964.db2.gz HRHHDPMYSSBTGM-LBPRGKRZSA-N 1 2 210.296 2.360 20 30 BEEDLO CC(C)C1(C[N@H+]2CC[C@](F)(C#N)C2)CC1 ZINC000602628604 349664968 /nfs/dbraw/zinc/66/49/68/349664968.db2.gz HRHHDPMYSSBTGM-LBPRGKRZSA-N 1 2 210.296 2.360 20 30 BEEDLO Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)nc1 ZINC000156913126 398339701 /nfs/dbraw/zinc/33/97/01/398339701.db2.gz ZPZVCRFFZXFVLD-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1ccc(C[N@H+](C)[C@H](C)CC#N)nc1 ZINC000156913126 398339702 /nfs/dbraw/zinc/33/97/02/398339702.db2.gz ZPZVCRFFZXFVLD-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO C[C@H](CCC#N)C[NH2+][C@H](C)C(F)(F)F ZINC000602661466 349681141 /nfs/dbraw/zinc/68/11/41/349681141.db2.gz FVRMXEKSBITESL-HTQZYQBOSA-N 1 2 208.227 2.467 20 30 BEEDLO Cn1ccnc1[C@@H]([NH2+]CC1(C#N)CCC1)C1CC1 ZINC000602700870 349696051 /nfs/dbraw/zinc/69/60/51/349696051.db2.gz XPLJNGUBSBJMSJ-LBPRGKRZSA-N 1 2 244.342 2.155 20 30 BEEDLO Cn1ccnc1[C@H](C1CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000602717630 349708298 /nfs/dbraw/zinc/70/82/98/349708298.db2.gz IDBQQAVBVPNMEV-JSGCOSHPSA-N 1 2 244.342 2.107 20 30 BEEDLO Cn1ccnc1[C@H](C1CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000602717630 349708303 /nfs/dbraw/zinc/70/83/03/349708303.db2.gz IDBQQAVBVPNMEV-JSGCOSHPSA-N 1 2 244.342 2.107 20 30 BEEDLO Cn1cc[nH+]c1[C@H](C1CC1)N1CC[C@@](C)(C#N)C1 ZINC000602717630 349708306 /nfs/dbraw/zinc/70/83/06/349708306.db2.gz IDBQQAVBVPNMEV-JSGCOSHPSA-N 1 2 244.342 2.107 20 30 BEEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1C#N ZINC000234800432 536748552 /nfs/dbraw/zinc/74/85/52/536748552.db2.gz ZEVAGNFGUKGDLH-NSHDSACASA-N 1 2 243.310 2.158 20 30 BEEDLO N#CC[N@@H+](Cc1cc[nH]c(=O)c1)C1CCCC1 ZINC000602779517 349745936 /nfs/dbraw/zinc/74/59/36/349745936.db2.gz NKDKPCRWQMVYGK-UHFFFAOYSA-N 1 2 231.299 2.055 20 30 BEEDLO N#CC[N@H+](Cc1cc[nH]c(=O)c1)C1CCCC1 ZINC000602779517 349745939 /nfs/dbraw/zinc/74/59/39/349745939.db2.gz NKDKPCRWQMVYGK-UHFFFAOYSA-N 1 2 231.299 2.055 20 30 BEEDLO CCN(C#N)CC[N@H+](CCC#N)CCC(C)C ZINC000602776314 349729350 /nfs/dbraw/zinc/72/93/50/349729350.db2.gz DRAFFLKFSHPLTN-UHFFFAOYSA-N 1 2 236.363 2.051 20 30 BEEDLO CCN(C#N)CC[N@@H+](CCC#N)CCC(C)C ZINC000602776314 349729354 /nfs/dbraw/zinc/72/93/54/349729354.db2.gz DRAFFLKFSHPLTN-UHFFFAOYSA-N 1 2 236.363 2.051 20 30 BEEDLO N#CCC1(C[N@@H+]2CCO[C@H](c3ccco3)C2)CC1 ZINC000602789390 349752767 /nfs/dbraw/zinc/75/27/67/349752767.db2.gz VMWZNAQCYYLUKC-ZDUSSCGKSA-N 1 2 246.310 2.347 20 30 BEEDLO N#CCC1(C[N@H+]2CCO[C@H](c3ccco3)C2)CC1 ZINC000602789390 349752771 /nfs/dbraw/zinc/75/27/71/349752771.db2.gz VMWZNAQCYYLUKC-ZDUSSCGKSA-N 1 2 246.310 2.347 20 30 BEEDLO CC(C)Oc1ccccc1C[NH2+]CCC#N ZINC000034992738 358452167 /nfs/dbraw/zinc/45/21/67/358452167.db2.gz RUXAOOKPJXUCSK-UHFFFAOYSA-N 1 2 218.300 2.477 20 30 BEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1cccc(F)c1 ZINC000602861764 349773572 /nfs/dbraw/zinc/77/35/72/349773572.db2.gz ISEZXIZEXZCDLN-VHSXEESVSA-N 1 2 249.289 2.044 20 30 BEEDLO C=CC[N@H+](CCC#N)CC1(CC#N)CC1 ZINC000602837591 349776815 /nfs/dbraw/zinc/77/68/15/349776815.db2.gz NWEOMTCQDUDDOB-UHFFFAOYSA-N 1 2 203.289 2.082 20 30 BEEDLO C=CC[N@@H+](CCC#N)CC1(CC#N)CC1 ZINC000602837591 349776818 /nfs/dbraw/zinc/77/68/18/349776818.db2.gz NWEOMTCQDUDDOB-UHFFFAOYSA-N 1 2 203.289 2.082 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H]1CC(C)(C)CO1 ZINC000602839615 349778656 /nfs/dbraw/zinc/77/86/56/349778656.db2.gz VWDIKIWCZHDBDD-GFCCVEGCSA-N 1 2 222.332 2.203 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H]1CC(C)(C)CO1 ZINC000602839615 349778657 /nfs/dbraw/zinc/77/86/57/349778657.db2.gz VWDIKIWCZHDBDD-GFCCVEGCSA-N 1 2 222.332 2.203 20 30 BEEDLO C[C@]1(C#N)CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602807144 349769644 /nfs/dbraw/zinc/76/96/44/349769644.db2.gz VBYWHMHWTARGBZ-GFCCVEGCSA-N 1 2 217.316 2.306 20 30 BEEDLO C[C@]1(C#N)CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602807144 349769645 /nfs/dbraw/zinc/76/96/45/349769645.db2.gz VBYWHMHWTARGBZ-GFCCVEGCSA-N 1 2 217.316 2.306 20 30 BEEDLO Cc1[nH]nc2ncc(C[N@@H+](C)[C@@H](C)CC#N)cc12 ZINC000353420624 136265302 /nfs/dbraw/zinc/26/53/02/136265302.db2.gz STHHERMJGIFFKM-VIFPVBQESA-N 1 2 243.314 2.000 20 30 BEEDLO Cc1[nH]nc2ncc(C[N@H+](C)[C@@H](C)CC#N)cc12 ZINC000353420624 136265303 /nfs/dbraw/zinc/26/53/03/136265303.db2.gz STHHERMJGIFFKM-VIFPVBQESA-N 1 2 243.314 2.000 20 30 BEEDLO CCCc1nc(C)c(C[NH2+][C@H](C)CC#N)o1 ZINC000309906517 343091365 /nfs/dbraw/zinc/09/13/65/343091365.db2.gz KNJCQEYXYUGLCD-SECBINFHSA-N 1 2 221.304 2.327 20 30 BEEDLO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602864388 349795931 /nfs/dbraw/zinc/79/59/31/349795931.db2.gz RJTCZCJTWBFKIR-NEPJUHHUSA-N 1 2 245.326 2.214 20 30 BEEDLO N#CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388612 136271569 /nfs/dbraw/zinc/27/15/69/136271569.db2.gz MIHARAKFCBGFJG-UHFFFAOYSA-N 1 2 212.655 2.482 20 30 BEEDLO Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C2)cc1C#N ZINC000625332444 343237493 /nfs/dbraw/zinc/23/74/93/343237493.db2.gz GKYSEZFSSLDFAF-GFCCVEGCSA-N 1 2 242.322 2.278 20 30 BEEDLO Cc1ccc(C[N@H+]2CCC(=O)[C@H](C)C2)cc1C#N ZINC000625332444 343237494 /nfs/dbraw/zinc/23/74/94/343237494.db2.gz GKYSEZFSSLDFAF-GFCCVEGCSA-N 1 2 242.322 2.278 20 30 BEEDLO Cc1cn2cc(NC(=O)CCCC#N)ccc2[nH+]1 ZINC000291754413 136288856 /nfs/dbraw/zinc/28/88/56/136288856.db2.gz TXZYPKQYOJXQRW-UHFFFAOYSA-N 1 2 242.282 2.275 20 30 BEEDLO N#CCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000298781378 136291593 /nfs/dbraw/zinc/29/15/93/136291593.db2.gz DDOKHWFAOWYPKE-UHFFFAOYSA-N 1 2 204.248 2.318 20 30 BEEDLO CCc1nc(C[NH2+]CC(C)(C)C#N)cs1 ZINC000134975986 343342922 /nfs/dbraw/zinc/34/29/22/343342922.db2.gz DBJNDGSUEJSUCB-UHFFFAOYSA-N 1 2 223.345 2.345 20 30 BEEDLO CC#CC[NH2+]Cc1cn(C[C@@H](C)CC(C)C)nn1 ZINC000641077653 362187315 /nfs/dbraw/zinc/18/73/15/362187315.db2.gz MPULOGDJDXKGQK-ZDUSSCGKSA-N 1 2 248.374 2.073 20 30 BEEDLO C#CC[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000299212166 343398055 /nfs/dbraw/zinc/39/80/55/343398055.db2.gz DQNWQVFPJPTBDG-OCCSQVGLSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000299212166 343398057 /nfs/dbraw/zinc/39/80/57/343398057.db2.gz DQNWQVFPJPTBDG-OCCSQVGLSA-N 1 2 215.296 2.082 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)CCCO1 ZINC000335879610 136357113 /nfs/dbraw/zinc/35/71/13/136357113.db2.gz JYWQETMQBTUGGR-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)CCCO1 ZINC000335879610 136357114 /nfs/dbraw/zinc/35/71/14/136357114.db2.gz JYWQETMQBTUGGR-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO N#CCC1(C[N@@H+]2CCC[C@@H]2c2ncccn2)CC1 ZINC000602896704 349813972 /nfs/dbraw/zinc/81/39/72/349813972.db2.gz GNOVFNWJKHJQSN-GFCCVEGCSA-N 1 2 242.326 2.307 20 30 BEEDLO N#CCC1(C[N@H+]2CCC[C@@H]2c2ncccn2)CC1 ZINC000602896704 349813973 /nfs/dbraw/zinc/81/39/73/349813973.db2.gz GNOVFNWJKHJQSN-GFCCVEGCSA-N 1 2 242.326 2.307 20 30 BEEDLO Cc1ccnc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000616761023 343561337 /nfs/dbraw/zinc/56/13/37/343561337.db2.gz XZYHYIMRUAEYSG-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1ccnc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000616761023 343561341 /nfs/dbraw/zinc/56/13/41/343561341.db2.gz XZYHYIMRUAEYSG-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1nc2c(s1)CCC2 ZINC000135039912 343582607 /nfs/dbraw/zinc/58/26/07/343582607.db2.gz ULQNXDIDWSWYOV-SECBINFHSA-N 1 2 235.356 2.414 20 30 BEEDLO Cc1nocc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982793 349835309 /nfs/dbraw/zinc/83/53/09/349835309.db2.gz YIXYTHJCGHTNKV-JQWIXIFHSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1nocc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982793 349835311 /nfs/dbraw/zinc/83/53/11/349835311.db2.gz YIXYTHJCGHTNKV-JQWIXIFHSA-N 1 2 219.288 2.107 20 30 BEEDLO COc1cccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)n1 ZINC000602977558 349842135 /nfs/dbraw/zinc/84/21/35/349842135.db2.gz CWXAZXVOZZONTJ-AAEUAGOBSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)n1 ZINC000602977558 349842139 /nfs/dbraw/zinc/84/21/39/349842139.db2.gz CWXAZXVOZZONTJ-AAEUAGOBSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)ccn1 ZINC000602980430 349845291 /nfs/dbraw/zinc/84/52/91/349845291.db2.gz QBDZSJJJMNDUAT-OLZOCXBDSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)ccn1 ZINC000602980430 349845292 /nfs/dbraw/zinc/84/52/92/349845292.db2.gz QBDZSJJJMNDUAT-OLZOCXBDSA-N 1 2 245.326 2.214 20 30 BEEDLO C[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CCC[C@@H]1C#N ZINC000602980641 349846651 /nfs/dbraw/zinc/84/66/51/349846651.db2.gz SPNKAJFUQMWKJB-TZMCWYRMSA-N 1 2 240.310 2.077 20 30 BEEDLO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCC[C@@H]1C#N ZINC000602980641 349846653 /nfs/dbraw/zinc/84/66/53/349846653.db2.gz SPNKAJFUQMWKJB-TZMCWYRMSA-N 1 2 240.310 2.077 20 30 BEEDLO CC[C@](C)(C#N)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421573992 192364557 /nfs/dbraw/zinc/36/45/57/192364557.db2.gz CXPJXBCNLDSWOR-CQSZACIVSA-N 1 2 245.326 2.255 20 30 BEEDLO N#CC[N@@H+](C[C@@H]1CCCC[C@H]1O)C1CCCC1 ZINC000393295906 343792898 /nfs/dbraw/zinc/79/28/98/343792898.db2.gz UULASHAFLVSSPI-GXTWGEPZSA-N 1 2 236.359 2.306 20 30 BEEDLO N#CC[N@H+](C[C@@H]1CCCC[C@H]1O)C1CCCC1 ZINC000393295906 343792902 /nfs/dbraw/zinc/79/29/02/343792902.db2.gz UULASHAFLVSSPI-GXTWGEPZSA-N 1 2 236.359 2.306 20 30 BEEDLO CCC[N@H+](CC#N)Cc1cccc(C)c1O ZINC000179828407 346998726 /nfs/dbraw/zinc/99/87/26/346998726.db2.gz JFVREBQILVJHEE-UHFFFAOYSA-N 1 2 218.300 2.436 20 30 BEEDLO CCC[N@@H+](CC#N)Cc1cccc(C)c1O ZINC000179828407 346998728 /nfs/dbraw/zinc/99/87/28/346998728.db2.gz JFVREBQILVJHEE-UHFFFAOYSA-N 1 2 218.300 2.436 20 30 BEEDLO C=C(Br)C[N@H+]1CCCOC[C@@H]1C ZINC000306529903 343861632 /nfs/dbraw/zinc/86/16/32/343861632.db2.gz IVOJHFZRCDDQHY-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@@H+]1CCCOC[C@@H]1C ZINC000306529903 343861634 /nfs/dbraw/zinc/86/16/34/343861634.db2.gz IVOJHFZRCDDQHY-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO C[C@@]1(F)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000334352314 343869344 /nfs/dbraw/zinc/86/93/44/343869344.db2.gz HQMQOBIZGVTFMQ-CYBMUJFWSA-N 1 2 218.275 2.492 20 30 BEEDLO C[C@@]1(F)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000334352314 343869347 /nfs/dbraw/zinc/86/93/47/343869347.db2.gz HQMQOBIZGVTFMQ-CYBMUJFWSA-N 1 2 218.275 2.492 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+](Cc2noc(CC)n2)C1 ZINC000625703177 344047378 /nfs/dbraw/zinc/04/73/78/344047378.db2.gz LYYUKMWFIVHVJL-SNVBAGLBSA-N 1 2 221.304 2.030 20 30 BEEDLO C=CC[C@@H]1CC[N@H+](Cc2noc(CC)n2)C1 ZINC000625703177 344047382 /nfs/dbraw/zinc/04/73/82/344047382.db2.gz LYYUKMWFIVHVJL-SNVBAGLBSA-N 1 2 221.304 2.030 20 30 BEEDLO C=CC[NH+](CC=C)C[C@H](C#N)CCC#N ZINC000078316203 344095582 /nfs/dbraw/zinc/09/55/82/344095582.db2.gz JIWXHKYBGMRLDV-LBPRGKRZSA-N 1 2 203.289 2.104 20 30 BEEDLO Cc1nocc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000590362529 347032354 /nfs/dbraw/zinc/03/23/54/347032354.db2.gz OMHIIPPLSBZVRZ-LBPRGKRZSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1nocc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000590362529 347032356 /nfs/dbraw/zinc/03/23/56/347032356.db2.gz OMHIIPPLSBZVRZ-LBPRGKRZSA-N 1 2 219.288 2.109 20 30 BEEDLO CC[N@@H+](Cc1ccncc1C)C[C@H](C)C#N ZINC000584272399 344374013 /nfs/dbraw/zinc/37/40/13/344374013.db2.gz SHIRNOWQKVHRMI-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1ccncc1C)C[C@H](C)C#N ZINC000584272399 344374016 /nfs/dbraw/zinc/37/40/16/344374016.db2.gz SHIRNOWQKVHRMI-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO CCn1ccc(C[N@H+](C)C[C@@H](C#N)CCC#N)c1 ZINC000616785214 344471030 /nfs/dbraw/zinc/47/10/30/344471030.db2.gz CDVMGHLABXBEAP-CYBMUJFWSA-N 1 2 244.342 2.383 20 30 BEEDLO CCn1ccc(C[N@@H+](C)C[C@@H](C#N)CCC#N)c1 ZINC000616785214 344471031 /nfs/dbraw/zinc/47/10/31/344471031.db2.gz CDVMGHLABXBEAP-CYBMUJFWSA-N 1 2 244.342 2.383 20 30 BEEDLO Cn1cc[nH+]c1CN(CCC#N)CC(C)(C)C ZINC000111250433 344585423 /nfs/dbraw/zinc/58/54/23/344585423.db2.gz STXXQVZKITYQOS-UHFFFAOYSA-N 1 2 234.347 2.182 20 30 BEEDLO C=CCCC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000370952301 344649461 /nfs/dbraw/zinc/64/94/61/344649461.db2.gz FFXZFBIKBCRGGR-GFCCVEGCSA-N 1 2 247.342 2.151 20 30 BEEDLO C=CCCn1c2ccccc2[nH+]c1NCCO ZINC000077238345 344813336 /nfs/dbraw/zinc/81/33/36/344813336.db2.gz JPQRKGRATYUNEN-UHFFFAOYSA-N 1 2 231.299 2.017 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1ccc(C#N)cc1 ZINC000076302511 344800938 /nfs/dbraw/zinc/80/09/38/344800938.db2.gz HVBFPOWAABZLPQ-UHFFFAOYSA-N 1 2 225.295 2.460 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1ccc(C#N)cc1 ZINC000076302511 344800940 /nfs/dbraw/zinc/80/09/40/344800940.db2.gz HVBFPOWAABZLPQ-UHFFFAOYSA-N 1 2 225.295 2.460 20 30 BEEDLO C=CC[NH+](CC=C)C[C@@H](C#N)CCC#N ZINC000078316205 344846655 /nfs/dbraw/zinc/84/66/55/344846655.db2.gz JIWXHKYBGMRLDV-GFCCVEGCSA-N 1 2 203.289 2.104 20 30 BEEDLO N#Cc1cc(C[NH+]2CCC(C#N)CC2)ccc1F ZINC000119330357 344845463 /nfs/dbraw/zinc/84/54/63/344845463.db2.gz NYKKFMFLTSIXNO-UHFFFAOYSA-N 1 2 243.285 2.433 20 30 BEEDLO Cc1cc(NC(=O)N(C)[C@H](C)CC#N)cc[nH+]1 ZINC000120208920 344881768 /nfs/dbraw/zinc/88/17/68/344881768.db2.gz SKDJOKVVTMGOGN-SNVBAGLBSA-N 1 2 232.287 2.156 20 30 BEEDLO C#CCCCC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000121031811 344908283 /nfs/dbraw/zinc/90/82/83/344908283.db2.gz BOHAYAYQOUOPPH-NTEUORMPSA-N 1 2 233.267 2.026 20 30 BEEDLO Cc1cc(NC[C@@H]2CCC(C)(C)O2)c(C#N)c[nH+]1 ZINC000425244769 192085647 /nfs/dbraw/zinc/08/56/47/192085647.db2.gz SOHLSWIUYBMGQT-LBPRGKRZSA-N 1 2 245.326 2.053 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361708424 345129335 /nfs/dbraw/zinc/12/93/35/345129335.db2.gz ZDGUCUHLJUNSBK-SNVBAGLBSA-N 1 2 231.274 2.289 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361708424 345129341 /nfs/dbraw/zinc/12/93/41/345129341.db2.gz ZDGUCUHLJUNSBK-SNVBAGLBSA-N 1 2 231.274 2.289 20 30 BEEDLO Cc1cc(N[C@@H]2CCCC[C@H]2F)c(C#N)c[nH+]1 ZINC000425256981 192085904 /nfs/dbraw/zinc/08/59/04/192085904.db2.gz CESCDYNEBKRIFZ-VXGBXAGGSA-N 1 2 233.290 2.376 20 30 BEEDLO C=CC[N@@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000127144200 345159491 /nfs/dbraw/zinc/15/94/91/345159491.db2.gz ODQVPPYDQHTOIE-QMMMGPOBSA-N 1 2 207.277 2.126 20 30 BEEDLO C=CC[N@H+](C)[C@@H](C)c1nc(C2CC2)no1 ZINC000127144200 345159492 /nfs/dbraw/zinc/15/94/92/345159492.db2.gz ODQVPPYDQHTOIE-QMMMGPOBSA-N 1 2 207.277 2.126 20 30 BEEDLO Cc1cc(N[C@H]2C[C@@H](OC(C)C)C2)c(C#N)c[nH+]1 ZINC000425267401 192086632 /nfs/dbraw/zinc/08/66/32/192086632.db2.gz LNOHDNDERHDQLH-BETUJISGSA-N 1 2 245.326 2.052 20 30 BEEDLO CCCN(CC#N)Cc1c(C)[nH+]c2ccccn21 ZINC000158608494 345357419 /nfs/dbraw/zinc/35/74/19/345357419.db2.gz AMLFNFCFJWEXGV-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO CC[C@H](O)C[N@H+](CCC#N)Cc1ccccc1 ZINC000134489830 345414023 /nfs/dbraw/zinc/41/40/23/345414023.db2.gz YBEVZDLPAVOKEO-AWEZNQCLSA-N 1 2 232.327 2.173 20 30 BEEDLO CC[C@H](O)C[N@@H+](CCC#N)Cc1ccccc1 ZINC000134489830 345414024 /nfs/dbraw/zinc/41/40/24/345414024.db2.gz YBEVZDLPAVOKEO-AWEZNQCLSA-N 1 2 232.327 2.173 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cnn(C(C)C)c1 ZINC000135041262 345430644 /nfs/dbraw/zinc/43/06/44/345430644.db2.gz DRANOSHZOGMEGO-LBPRGKRZSA-N 1 2 220.320 2.246 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C)nn(C)c1Cl ZINC000135040933 345430689 /nfs/dbraw/zinc/43/06/89/345430689.db2.gz YVRRYSFPUAUEIC-VIFPVBQESA-N 1 2 240.738 2.164 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cnn(C(C)C)c1 ZINC000135041288 345430762 /nfs/dbraw/zinc/43/07/62/345430762.db2.gz DRANOSHZOGMEGO-GFCCVEGCSA-N 1 2 220.320 2.246 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000135389865 345439901 /nfs/dbraw/zinc/43/99/01/345439901.db2.gz WMWFPHLJJXFIPG-JTQLQIEISA-N 1 2 221.291 2.289 20 30 BEEDLO C=CCC[C@H](O)C[N@H+](CC(F)F)C(C)C ZINC000135389865 345439903 /nfs/dbraw/zinc/43/99/03/345439903.db2.gz WMWFPHLJJXFIPG-JTQLQIEISA-N 1 2 221.291 2.289 20 30 BEEDLO Cc1c[nH+]ccc1CCNc1cnccc1C#N ZINC000091674296 345602441 /nfs/dbraw/zinc/60/24/41/345602441.db2.gz VCNQJQIOLSVNTM-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO CC(C)[C@@H]([NH2+]CCCC#N)C(=O)OC(C)(C)C ZINC000180039895 345923547 /nfs/dbraw/zinc/92/35/47/345923547.db2.gz SKJMEMWVANQHEV-LLVKDONJSA-N 1 2 240.347 2.246 20 30 BEEDLO C=CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000636168948 346342821 /nfs/dbraw/zinc/34/28/21/346342821.db2.gz FKDMCBJPVJUWCZ-GFCCVEGCSA-N 1 2 235.331 2.163 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(F)c(C#N)c1 ZINC000490821419 346458045 /nfs/dbraw/zinc/45/80/45/346458045.db2.gz VAVIVEWPILABIM-UHFFFAOYSA-N 1 2 240.281 2.156 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(F)c(C#N)c1 ZINC000490821419 346458049 /nfs/dbraw/zinc/45/80/49/346458049.db2.gz VAVIVEWPILABIM-UHFFFAOYSA-N 1 2 240.281 2.156 20 30 BEEDLO C=C(C)CN(CC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000580080996 346516073 /nfs/dbraw/zinc/51/60/73/346516073.db2.gz ZMKWEFRKYPUWLK-LBPRGKRZSA-N 1 2 235.331 2.259 20 30 BEEDLO C[C@H]1COCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000589987165 346760958 /nfs/dbraw/zinc/76/09/58/346760958.db2.gz ZUEQJTWBOBKHEJ-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H]1COCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000589987165 346760962 /nfs/dbraw/zinc/76/09/62/346760962.db2.gz ZUEQJTWBOBKHEJ-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO Cc1ccc(CCNc2ncccc2C#N)c[nH+]1 ZINC000301244791 187371237 /nfs/dbraw/zinc/37/12/37/187371237.db2.gz PQTUITAEWDDMAE-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO Cc1ccnc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000590123656 346776775 /nfs/dbraw/zinc/77/67/75/346776775.db2.gz CAWKOXZMOGZHES-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO Cc1ccnc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000590123656 346776777 /nfs/dbraw/zinc/77/67/77/346776777.db2.gz CAWKOXZMOGZHES-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO N#Cc1cccc(C2([NH2+]CC(F)F)CC2)c1 ZINC000309570651 347104853 /nfs/dbraw/zinc/10/48/53/347104853.db2.gz MUEFKUHRPNIVKT-UHFFFAOYSA-N 1 2 222.238 2.402 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cnn(CC(C)C)c1 ZINC000184092706 347148834 /nfs/dbraw/zinc/14/88/34/347148834.db2.gz VVGKMMQJZVQYLL-CYBMUJFWSA-N 1 2 234.347 2.321 20 30 BEEDLO C#CC[N@@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000190320920 347327387 /nfs/dbraw/zinc/32/73/87/347327387.db2.gz LCJLFQZCTURRJU-HNNXBMFYSA-N 1 2 229.323 2.256 20 30 BEEDLO C#CC[N@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000190320920 347327391 /nfs/dbraw/zinc/32/73/91/347327391.db2.gz LCJLFQZCTURRJU-HNNXBMFYSA-N 1 2 229.323 2.256 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191458735 347352572 /nfs/dbraw/zinc/35/25/72/347352572.db2.gz CABRJYJNHJANEY-UHFFFAOYSA-N 1 2 222.336 2.041 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191458735 347352575 /nfs/dbraw/zinc/35/25/75/347352575.db2.gz CABRJYJNHJANEY-UHFFFAOYSA-N 1 2 222.336 2.041 20 30 BEEDLO Cc1nc(C[N@@H+](C)Cc2cccc(C#N)c2)co1 ZINC000590603427 347476786 /nfs/dbraw/zinc/47/67/86/347476786.db2.gz WUQMFPLAKUXCKT-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1nc(C[N@H+](C)Cc2cccc(C#N)c2)co1 ZINC000590603427 347476789 /nfs/dbraw/zinc/47/67/89/347476789.db2.gz WUQMFPLAKUXCKT-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC3(CC(F)C3)C2)o1 ZINC000590969282 347596867 /nfs/dbraw/zinc/59/68/67/347596867.db2.gz JBWOMSUWHONSKE-UHFFFAOYSA-N 1 2 220.247 2.085 20 30 BEEDLO N#CCC[C@H](C#N)C[NH2+]CC#Cc1ccccc1 ZINC000591723895 347689084 /nfs/dbraw/zinc/68/90/84/347689084.db2.gz PEVDHAOXZFZMBR-OAHLLOKOSA-N 1 2 237.306 2.071 20 30 BEEDLO Cc1cc(N2CC3(C2)CC(F)(F)C3)c(C#N)c[nH+]1 ZINC000591824778 347701966 /nfs/dbraw/zinc/70/19/66/347701966.db2.gz YJTCPHHCNNGLQF-UHFFFAOYSA-N 1 2 249.264 2.497 20 30 BEEDLO COc1ccccc1OCC[N@H+](C)C[C@H](C)C#N ZINC000066470559 347704463 /nfs/dbraw/zinc/70/44/63/347704463.db2.gz LXVWHTNZBWZYSU-GFCCVEGCSA-N 1 2 248.326 2.165 20 30 BEEDLO COc1ccccc1OCC[N@@H+](C)C[C@H](C)C#N ZINC000066470559 347704466 /nfs/dbraw/zinc/70/44/66/347704466.db2.gz LXVWHTNZBWZYSU-GFCCVEGCSA-N 1 2 248.326 2.165 20 30 BEEDLO CC[C@H]1C[N@H+](CC2(C#N)CC2)[C@@H](CC)CO1 ZINC000593058060 347848021 /nfs/dbraw/zinc/84/80/21/347848021.db2.gz ILXLVEBACLIBIL-RYUDHWBXSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@H]1C[N@@H+](CC2(C#N)CC2)[C@@H](CC)CO1 ZINC000593058060 347848023 /nfs/dbraw/zinc/84/80/23/347848023.db2.gz ILXLVEBACLIBIL-RYUDHWBXSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@H](C#N)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000593445694 347892508 /nfs/dbraw/zinc/89/25/08/347892508.db2.gz JONDEXGBIJZXEH-SNVBAGLBSA-N 1 2 242.282 2.131 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H](C)CO1 ZINC000593665309 347924594 /nfs/dbraw/zinc/92/45/94/347924594.db2.gz AFFZJBJUOXFXNX-MNOVXSKESA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@H](C)CO1 ZINC000593665309 347924597 /nfs/dbraw/zinc/92/45/97/347924597.db2.gz AFFZJBJUOXFXNX-MNOVXSKESA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000594008704 347984942 /nfs/dbraw/zinc/98/49/42/347984942.db2.gz ZEWGJEJOVWWINK-LLVKDONJSA-N 1 2 232.331 2.001 20 30 BEEDLO N#Cc1cnccc1SCCCn1cc[nH+]c1 ZINC000594909291 348137265 /nfs/dbraw/zinc/13/72/65/348137265.db2.gz SQDCWKHLXRZJAI-UHFFFAOYSA-N 1 2 244.323 2.332 20 30 BEEDLO Cc1cn[nH]c1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981577 348164355 /nfs/dbraw/zinc/16/43/55/348164355.db2.gz ROOMHIHJBDLVBT-UHFFFAOYSA-N 1 2 232.331 2.282 20 30 BEEDLO Cc1c[nH]nc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981577 348164357 /nfs/dbraw/zinc/16/43/57/348164357.db2.gz ROOMHIHJBDLVBT-UHFFFAOYSA-N 1 2 232.331 2.282 20 30 BEEDLO Cc1c[nH]c(C[NH2+]CC2(C#N)CCCCC2)n1 ZINC000594981474 348164428 /nfs/dbraw/zinc/16/44/28/348164428.db2.gz QWZIGEJCMSICEK-UHFFFAOYSA-N 1 2 232.331 2.282 20 30 BEEDLO CC1(C)CCCC[C@@H]1C[N@@H+]1CCO[C@@H](C#N)C1 ZINC000595318447 348225996 /nfs/dbraw/zinc/22/59/96/348225996.db2.gz SEERJIRVVBBZCH-OLZOCXBDSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCCC[C@@H]1C[N@H+]1CCO[C@@H](C#N)C1 ZINC000595318447 348226000 /nfs/dbraw/zinc/22/60/00/348226000.db2.gz SEERJIRVVBBZCH-OLZOCXBDSA-N 1 2 236.359 2.427 20 30 BEEDLO CN(Cc1[nH+]ccn1C)[C@@H](C#N)c1ccccc1 ZINC000595398319 348238194 /nfs/dbraw/zinc/23/81/94/348238194.db2.gz PCISVVNFUBATSN-ZDUSSCGKSA-N 1 2 240.310 2.117 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ncc[nH]1 ZINC000595400635 348238277 /nfs/dbraw/zinc/23/82/77/348238277.db2.gz XLMBRUHSFCCMNF-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ncc[nH]1 ZINC000595400635 348238278 /nfs/dbraw/zinc/23/82/78/348238278.db2.gz XLMBRUHSFCCMNF-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(C#N)ccc1CN(C)Cc1[nH]cc[nH+]1 ZINC000595400635 348238280 /nfs/dbraw/zinc/23/82/80/348238280.db2.gz XLMBRUHSFCCMNF-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO CCc1nnc([C@H](C)[NH+]2CCC(CC#N)CC2)[nH]1 ZINC000595425056 348246184 /nfs/dbraw/zinc/24/61/84/348246184.db2.gz JYEGIGSHXOLJME-JTQLQIEISA-N 1 2 247.346 2.054 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H](OC)C1CCC1 ZINC000595503025 348264040 /nfs/dbraw/zinc/26/40/40/348264040.db2.gz YYZANAOSBKCWTG-ZDUSSCGKSA-N 1 2 222.332 2.203 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H](OC)C1CCC1 ZINC000595503025 348264042 /nfs/dbraw/zinc/26/40/42/348264042.db2.gz YYZANAOSBKCWTG-ZDUSSCGKSA-N 1 2 222.332 2.203 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H](CC(C)C)OC ZINC000419290494 192118504 /nfs/dbraw/zinc/11/85/04/192118504.db2.gz YXOBESWHQZDIFF-CYBMUJFWSA-N 1 2 224.348 2.449 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H](CC(C)C)OC ZINC000419290494 192118506 /nfs/dbraw/zinc/11/85/06/192118506.db2.gz YXOBESWHQZDIFF-CYBMUJFWSA-N 1 2 224.348 2.449 20 30 BEEDLO N#C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000595521517 348269862 /nfs/dbraw/zinc/26/98/62/348269862.db2.gz DNAPNGIZEJPJJU-HIFRSBDPSA-N 1 2 244.338 2.346 20 30 BEEDLO N#C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CCCO)C1 ZINC000595521517 348269863 /nfs/dbraw/zinc/26/98/63/348269863.db2.gz DNAPNGIZEJPJJU-HIFRSBDPSA-N 1 2 244.338 2.346 20 30 BEEDLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC000595615135 348289196 /nfs/dbraw/zinc/28/91/96/348289196.db2.gz GRWKULBUBNFSIX-MNOVXSKESA-N 1 2 247.346 2.054 20 30 BEEDLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC000595615135 348289198 /nfs/dbraw/zinc/28/91/98/348289198.db2.gz GRWKULBUBNFSIX-MNOVXSKESA-N 1 2 247.346 2.054 20 30 BEEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595617332 348289616 /nfs/dbraw/zinc/28/96/16/348289616.db2.gz YLHXHIVEOAYCBK-NSHDSACASA-N 1 2 248.330 2.319 20 30 BEEDLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595617332 348289618 /nfs/dbraw/zinc/28/96/18/348289618.db2.gz YLHXHIVEOAYCBK-NSHDSACASA-N 1 2 248.330 2.319 20 30 BEEDLO CC#CC[N@@H+](CC)[C@H](C)C(=O)OC(C)(C)C ZINC000595601482 348295862 /nfs/dbraw/zinc/29/58/62/348295862.db2.gz PNDQBJRXTWJAAQ-LLVKDONJSA-N 1 2 225.332 2.062 20 30 BEEDLO CC#CC[N@H+](CC)[C@H](C)C(=O)OC(C)(C)C ZINC000595601482 348295865 /nfs/dbraw/zinc/29/58/65/348295865.db2.gz PNDQBJRXTWJAAQ-LLVKDONJSA-N 1 2 225.332 2.062 20 30 BEEDLO CC(C)(C#N)CCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000595662291 348300615 /nfs/dbraw/zinc/30/06/15/348300615.db2.gz HKJYOFYMYUTBIR-JTQLQIEISA-N 1 2 246.301 2.018 20 30 BEEDLO CC(C)(C#N)CCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000595662291 348300619 /nfs/dbraw/zinc/30/06/19/348300619.db2.gz HKJYOFYMYUTBIR-JTQLQIEISA-N 1 2 246.301 2.018 20 30 BEEDLO COc1ccncc1C[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595688145 348313726 /nfs/dbraw/zinc/31/37/26/348313726.db2.gz GUASITOCAODJHJ-YPMHNXCESA-N 1 2 245.326 2.262 20 30 BEEDLO CCN(Cc1cn2cc(C)ccc2[nH+]1)[C@H](C)C#N ZINC000595811490 348351080 /nfs/dbraw/zinc/35/10/80/348351080.db2.gz CHVHOKFXXLSGIG-GFCCVEGCSA-N 1 2 242.326 2.377 20 30 BEEDLO C[C@@H](C#N)[N@H+](CC[C@@H]1CCCCO1)C1CC1 ZINC000595710760 348323305 /nfs/dbraw/zinc/32/33/05/348323305.db2.gz RATXZFXBMSPRAJ-AAEUAGOBSA-N 1 2 222.332 2.322 20 30 BEEDLO C[C@@H](C#N)[N@@H+](CC[C@@H]1CCCCO1)C1CC1 ZINC000595710760 348323307 /nfs/dbraw/zinc/32/33/07/348323307.db2.gz RATXZFXBMSPRAJ-AAEUAGOBSA-N 1 2 222.332 2.322 20 30 BEEDLO C[C@@H](C#N)[N@H+](CCC1CCOCC1)C1CC1 ZINC000595710954 348323425 /nfs/dbraw/zinc/32/34/25/348323425.db2.gz XUGYWYYGXCQWSB-NSHDSACASA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@@H](C#N)[N@@H+](CCC1CCOCC1)C1CC1 ZINC000595710954 348323428 /nfs/dbraw/zinc/32/34/28/348323428.db2.gz XUGYWYYGXCQWSB-NSHDSACASA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@@H](C#N)[N@H+](CCCSCC#N)C1CC1 ZINC000595719952 348327207 /nfs/dbraw/zinc/32/72/07/348327207.db2.gz BZCBMXILDJZGSH-JTQLQIEISA-N 1 2 223.345 2.010 20 30 BEEDLO C[C@@H](C#N)[N@@H+](CCCSCC#N)C1CC1 ZINC000595719952 348327209 /nfs/dbraw/zinc/32/72/09/348327209.db2.gz BZCBMXILDJZGSH-JTQLQIEISA-N 1 2 223.345 2.010 20 30 BEEDLO CCOC(=O)CCCC[N@H+]([C@@H](C)C#N)C1CC1 ZINC000595720325 348327643 /nfs/dbraw/zinc/32/76/43/348327643.db2.gz HJNQWOVXDZZXNE-NSHDSACASA-N 1 2 238.331 2.096 20 30 BEEDLO CCOC(=O)CCCC[N@@H+]([C@@H](C)C#N)C1CC1 ZINC000595720325 348327645 /nfs/dbraw/zinc/32/76/45/348327645.db2.gz HJNQWOVXDZZXNE-NSHDSACASA-N 1 2 238.331 2.096 20 30 BEEDLO CC[N@H+](CCCOC(C)(C)C)[C@@H](C)C#N ZINC000595812466 348351800 /nfs/dbraw/zinc/35/18/00/348351800.db2.gz FJLPBCRKBACKRL-NSHDSACASA-N 1 2 212.337 2.426 20 30 BEEDLO CC[N@@H+](CCCOC(C)(C)C)[C@@H](C)C#N ZINC000595812466 348351802 /nfs/dbraw/zinc/35/18/02/348351802.db2.gz FJLPBCRKBACKRL-NSHDSACASA-N 1 2 212.337 2.426 20 30 BEEDLO CC[N@H+](CCCOCC(F)(F)F)[C@@H](C)C#N ZINC000595813529 348353029 /nfs/dbraw/zinc/35/30/29/348353029.db2.gz NQTQMTZLLJLKMH-VIFPVBQESA-N 1 2 238.253 2.189 20 30 BEEDLO CC[N@@H+](CCCOCC(F)(F)F)[C@@H](C)C#N ZINC000595813529 348353031 /nfs/dbraw/zinc/35/30/31/348353031.db2.gz NQTQMTZLLJLKMH-VIFPVBQESA-N 1 2 238.253 2.189 20 30 BEEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC1(C#N)CC1 ZINC000595815359 348342950 /nfs/dbraw/zinc/34/29/50/348342950.db2.gz OMURDHROFDKNEB-GFCCVEGCSA-N 1 2 234.343 2.324 20 30 BEEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1CC1(C#N)CC1 ZINC000595815359 348342952 /nfs/dbraw/zinc/34/29/52/348342952.db2.gz OMURDHROFDKNEB-GFCCVEGCSA-N 1 2 234.343 2.324 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000595833217 348366515 /nfs/dbraw/zinc/36/65/15/348366515.db2.gz BHLCMNHALKDHFU-AWEZNQCLSA-N 1 2 225.295 2.294 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000595833217 348366520 /nfs/dbraw/zinc/36/65/20/348366520.db2.gz BHLCMNHALKDHFU-AWEZNQCLSA-N 1 2 225.295 2.294 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000595833975 348367173 /nfs/dbraw/zinc/36/71/73/348367173.db2.gz JGKRBUFBTSTHID-CYBMUJFWSA-N 1 2 245.282 2.330 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000595833975 348367175 /nfs/dbraw/zinc/36/71/75/348367175.db2.gz JGKRBUFBTSTHID-CYBMUJFWSA-N 1 2 245.282 2.330 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000595834737 348368080 /nfs/dbraw/zinc/36/80/80/348368080.db2.gz LKPUQYGTXIKBDK-CQSZACIVSA-N 1 2 225.295 2.294 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000595834737 348368081 /nfs/dbraw/zinc/36/80/81/348368081.db2.gz LKPUQYGTXIKBDK-CQSZACIVSA-N 1 2 225.295 2.294 20 30 BEEDLO Cc1ncsc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840842 348374923 /nfs/dbraw/zinc/37/49/23/348374923.db2.gz GKBSCFHJVBJQON-NSHDSACASA-N 1 2 221.329 2.187 20 30 BEEDLO Cc1ncsc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840842 348374928 /nfs/dbraw/zinc/37/49/28/348374928.db2.gz GKBSCFHJVBJQON-NSHDSACASA-N 1 2 221.329 2.187 20 30 BEEDLO C[C@]1(C#N)CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000595841207 348376200 /nfs/dbraw/zinc/37/62/00/348376200.db2.gz SPUXXOHYFOOOSA-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000595841207 348376204 /nfs/dbraw/zinc/37/62/04/348376204.db2.gz SPUXXOHYFOOOSA-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000595841207 348376208 /nfs/dbraw/zinc/37/62/08/348376208.db2.gz SPUXXOHYFOOOSA-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO CCOc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000595844557 348381791 /nfs/dbraw/zinc/38/17/91/348381791.db2.gz UWLLQLBUUJCIAP-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO CCOc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)n1 ZINC000595844557 348381793 /nfs/dbraw/zinc/38/17/93/348381793.db2.gz UWLLQLBUUJCIAP-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO CC[N@H+](C[C@H](O)[C@@H](C)c1ccccc1)[C@@H](C)C#N ZINC000595818920 348359519 /nfs/dbraw/zinc/35/95/19/348359519.db2.gz PTSKIMVTRIYPOJ-YDHLFZDLSA-N 1 2 246.354 2.385 20 30 BEEDLO CC[N@@H+](C[C@H](O)[C@@H](C)c1ccccc1)[C@@H](C)C#N ZINC000595818920 348359522 /nfs/dbraw/zinc/35/95/22/348359522.db2.gz PTSKIMVTRIYPOJ-YDHLFZDLSA-N 1 2 246.354 2.385 20 30 BEEDLO CC[N@H+](C[C@H](O)CC1CCCC1)[C@@H](C)C#N ZINC000595820679 348362461 /nfs/dbraw/zinc/36/24/61/348362461.db2.gz OXGVXOOAFUKZCC-WCQYABFASA-N 1 2 224.348 2.162 20 30 BEEDLO CC[N@@H+](C[C@H](O)CC1CCCC1)[C@@H](C)C#N ZINC000595820679 348362465 /nfs/dbraw/zinc/36/24/65/348362465.db2.gz OXGVXOOAFUKZCC-WCQYABFASA-N 1 2 224.348 2.162 20 30 BEEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595916199 348400614 /nfs/dbraw/zinc/40/06/14/348400614.db2.gz KNCQORNEXQJLRH-GFCCVEGCSA-N 1 2 246.301 2.282 20 30 BEEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595916199 348400616 /nfs/dbraw/zinc/40/06/16/348400616.db2.gz KNCQORNEXQJLRH-GFCCVEGCSA-N 1 2 246.301 2.282 20 30 BEEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595919204 348401240 /nfs/dbraw/zinc/40/12/40/348401240.db2.gz UYBIDHBJGVZJFV-KOLCDFICSA-N 1 2 232.274 2.035 20 30 BEEDLO C[C@H](CCC#N)[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595919204 348401243 /nfs/dbraw/zinc/40/12/43/348401243.db2.gz UYBIDHBJGVZJFV-KOLCDFICSA-N 1 2 232.274 2.035 20 30 BEEDLO C[C@H]1C[N@H+](CCCC#N)C[C@](C)(C(F)F)O1 ZINC000595922338 348401998 /nfs/dbraw/zinc/40/19/98/348401998.db2.gz OWFUKQPKWWLNQZ-GXSJLCMTSA-N 1 2 232.274 2.035 20 30 BEEDLO C[C@H]1C[N@@H+](CCCC#N)C[C@](C)(C(F)F)O1 ZINC000595922338 348402001 /nfs/dbraw/zinc/40/20/01/348402001.db2.gz OWFUKQPKWWLNQZ-GXSJLCMTSA-N 1 2 232.274 2.035 20 30 BEEDLO CCCC[C@@H]([NH2+]CC(C)(C)CC#N)C(=O)OC ZINC000419350610 192126191 /nfs/dbraw/zinc/12/61/91/192126191.db2.gz OAHVJSXFNRHCAI-LLVKDONJSA-N 1 2 240.347 2.248 20 30 BEEDLO N#CCC[NH2+]Cc1cnccc1C(F)(F)F ZINC000596069955 348437615 /nfs/dbraw/zinc/43/76/15/348437615.db2.gz LGQPCMRFDYFQSJ-UHFFFAOYSA-N 1 2 229.205 2.104 20 30 BEEDLO Cc1cc(N(C)CC2=CCSC2)c(C#N)c[nH+]1 ZINC000596553731 348577361 /nfs/dbraw/zinc/57/73/61/348577361.db2.gz LTNRMCXVGOCMNY-UHFFFAOYSA-N 1 2 245.351 2.371 20 30 BEEDLO Cc1cc(NCCCc2ccco2)c(C#N)c[nH+]1 ZINC000596540261 348583113 /nfs/dbraw/zinc/58/31/13/348583113.db2.gz JRROIUDCYVZNRD-UHFFFAOYSA-N 1 2 241.294 2.321 20 30 BEEDLO Cc1cc[nH+]cc1Cc1noc([C@@H](C)CC#N)n1 ZINC000596617547 348594392 /nfs/dbraw/zinc/59/43/92/348594392.db2.gz UGKVYAZQIMTVEA-JTQLQIEISA-N 1 2 242.282 2.381 20 30 BEEDLO COc1ccc(C[NH+]2CC(CC#N)C2)c(F)c1 ZINC000597202736 348676384 /nfs/dbraw/zinc/67/63/84/348676384.db2.gz BODMKLOLKDNEOE-UHFFFAOYSA-N 1 2 234.274 2.180 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000597228184 348696657 /nfs/dbraw/zinc/69/66/57/348696657.db2.gz AVECLWSAMXMWOV-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000597228184 348696660 /nfs/dbraw/zinc/69/66/60/348696660.db2.gz AVECLWSAMXMWOV-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000597228184 348696664 /nfs/dbraw/zinc/69/66/64/348696664.db2.gz AVECLWSAMXMWOV-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000597228184 348696665 /nfs/dbraw/zinc/69/66/65/348696665.db2.gz AVECLWSAMXMWOV-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000274635822 187401861 /nfs/dbraw/zinc/40/18/61/187401861.db2.gz SIUDCCOLMSKHME-OLZOCXBDSA-N 1 2 249.358 2.238 20 30 BEEDLO CCOc1ccccc1C[NH2+]C[C@H](C)C#N ZINC000054179266 348890867 /nfs/dbraw/zinc/89/08/67/348890867.db2.gz JAUDKYLQHLZYNT-LLVKDONJSA-N 1 2 218.300 2.335 20 30 BEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CC(C)(C)C#N ZINC000598738965 349036225 /nfs/dbraw/zinc/03/62/25/349036225.db2.gz RSCWBIKABYTTTA-JTQLQIEISA-N 1 2 248.330 2.020 20 30 BEEDLO Cc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1C#N ZINC000599278814 349138741 /nfs/dbraw/zinc/13/87/41/349138741.db2.gz IAABLISQNSLYNP-LLVKDONJSA-N 1 2 227.311 2.458 20 30 BEEDLO Cc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1C#N ZINC000599278814 349138744 /nfs/dbraw/zinc/13/87/44/349138744.db2.gz IAABLISQNSLYNP-LLVKDONJSA-N 1 2 227.311 2.458 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H](OCC)C1CC1 ZINC000599428072 349186097 /nfs/dbraw/zinc/18/60/97/349186097.db2.gz HMEGTKMIOMOOAX-ZDUSSCGKSA-N 1 2 222.332 2.203 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H](OCC)C1CC1 ZINC000599428072 349186098 /nfs/dbraw/zinc/18/60/98/349186098.db2.gz HMEGTKMIOMOOAX-ZDUSSCGKSA-N 1 2 222.332 2.203 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](CCF)C2)c1 ZINC000599644238 349239343 /nfs/dbraw/zinc/23/93/43/349239343.db2.gz PYBVEMSYUYOJGR-CQSZACIVSA-N 1 2 248.301 2.119 20 30 BEEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](CCF)C2)c1 ZINC000599644238 349239345 /nfs/dbraw/zinc/23/93/45/349239345.db2.gz PYBVEMSYUYOJGR-CQSZACIVSA-N 1 2 248.301 2.119 20 30 BEEDLO C=C(C)C[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599659844 349236372 /nfs/dbraw/zinc/23/63/72/349236372.db2.gz IPESADRSWRUZJX-UHFFFAOYSA-N 1 2 213.321 2.272 20 30 BEEDLO CCO[C@H](C[N@H+](CC)[C@@H](C)C#N)C1CC1 ZINC000599475329 349195168 /nfs/dbraw/zinc/19/51/68/349195168.db2.gz MJQBJBUVWDGRHZ-CMPLNLGQSA-N 1 2 210.321 2.035 20 30 BEEDLO CCO[C@H](C[N@@H+](CC)[C@@H](C)C#N)C1CC1 ZINC000599475329 349195170 /nfs/dbraw/zinc/19/51/70/349195170.db2.gz MJQBJBUVWDGRHZ-CMPLNLGQSA-N 1 2 210.321 2.035 20 30 BEEDLO C=C[C@@H](C)Nc1cc(N[C@@H](C)C=C)nc[nH+]1 ZINC000126910528 191008009 /nfs/dbraw/zinc/00/80/09/191008009.db2.gz LTOHAIZRVPAWIX-AOOOYVTPSA-N 1 2 218.304 2.449 20 30 BEEDLO C=C[C@@H](C)Nc1cc(N[C@@H](C)C=C)[nH+]cn1 ZINC000126910528 191008012 /nfs/dbraw/zinc/00/80/12/191008012.db2.gz LTOHAIZRVPAWIX-AOOOYVTPSA-N 1 2 218.304 2.449 20 30 BEEDLO C=C[C@@H]([NH2+][C@@H](CCC)C1CCC1)C(=O)OC ZINC000324691120 350311625 /nfs/dbraw/zinc/31/16/25/350311625.db2.gz SZFDAVZDJMYRTC-NEPJUHHUSA-N 1 2 225.332 2.272 20 30 BEEDLO C=C(C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000157697433 191093591 /nfs/dbraw/zinc/09/35/91/191093591.db2.gz VWCHWGNOWDCUNE-UHFFFAOYSA-N 1 2 205.261 2.088 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C)ccn1 ZINC000328160943 350376256 /nfs/dbraw/zinc/37/62/56/350376256.db2.gz IAXCPNALRRRWLD-LLVKDONJSA-N 1 2 203.289 2.172 20 30 BEEDLO C=C[C@H]([NH2+]CCC(C)(C)C1CC1)C(=O)OC ZINC000328567534 350402877 /nfs/dbraw/zinc/40/28/77/350402877.db2.gz NZAKFSCMTKFFJY-NSHDSACASA-N 1 2 225.332 2.130 20 30 BEEDLO C=CC(C)(C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000628312112 350812781 /nfs/dbraw/zinc/81/27/81/350812781.db2.gz OSHDRUVHAFFEFG-NSHDSACASA-N 1 2 249.358 2.307 20 30 BEEDLO C=CC(C)(C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000628312112 350812784 /nfs/dbraw/zinc/81/27/84/350812784.db2.gz OSHDRUVHAFFEFG-NSHDSACASA-N 1 2 249.358 2.307 20 30 BEEDLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000070261688 180514368 /nfs/dbraw/zinc/51/43/68/180514368.db2.gz NVFLVUDYSNLHGG-VIFPVBQESA-N 1 2 242.282 2.101 20 30 BEEDLO Cc1cccc(OCC[N@@H+](C)C[C@H](C)C#N)c1 ZINC000070869807 351074318 /nfs/dbraw/zinc/07/43/18/351074318.db2.gz KFZQWGZDHOQENN-CYBMUJFWSA-N 1 2 232.327 2.465 20 30 BEEDLO Cc1cccc(OCC[N@H+](C)C[C@H](C)C#N)c1 ZINC000070869807 351074322 /nfs/dbraw/zinc/07/43/22/351074322.db2.gz KFZQWGZDHOQENN-CYBMUJFWSA-N 1 2 232.327 2.465 20 30 BEEDLO Cc1ccc2[nH+]cc(CN(CC#N)C3CC3)n2c1 ZINC000271149619 351406363 /nfs/dbraw/zinc/40/63/63/351406363.db2.gz SVABZPGITKGMKM-UHFFFAOYSA-N 1 2 240.310 2.131 20 30 BEEDLO Cc1ccc2[nH+]cc(CN(C)C[C@H](C)C#N)n2c1 ZINC000271110219 351401341 /nfs/dbraw/zinc/40/13/41/351401341.db2.gz AXJXQKRIXMSPGS-GFCCVEGCSA-N 1 2 242.326 2.234 20 30 BEEDLO COCc1ccc(C[N@H+](C)C[C@H](C)C#N)o1 ZINC000271125659 351402972 /nfs/dbraw/zinc/40/29/72/351402972.db2.gz KKNYEUYJXNCUSD-SNVBAGLBSA-N 1 2 222.288 2.017 20 30 BEEDLO COCc1ccc(C[N@@H+](C)C[C@H](C)C#N)o1 ZINC000271125659 351402975 /nfs/dbraw/zinc/40/29/75/351402975.db2.gz KKNYEUYJXNCUSD-SNVBAGLBSA-N 1 2 222.288 2.017 20 30 BEEDLO Cc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000271126724 351403096 /nfs/dbraw/zinc/40/30/96/351403096.db2.gz LJVSVOSUWTZTRU-JTQLQIEISA-N 1 2 247.298 2.495 20 30 BEEDLO Cc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000271126724 351403101 /nfs/dbraw/zinc/40/31/01/351403101.db2.gz LJVSVOSUWTZTRU-JTQLQIEISA-N 1 2 247.298 2.495 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404106061 363055416 /nfs/dbraw/zinc/05/54/16/363055416.db2.gz GQMABSQSXUYYBB-SECBINFHSA-N 1 2 217.247 2.089 20 30 BEEDLO N#CCCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000273370630 351524950 /nfs/dbraw/zinc/52/49/50/351524950.db2.gz RSTQCURVMBOMPC-UHFFFAOYSA-N 1 2 245.330 2.183 20 30 BEEDLO N#CCCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000273370630 351524951 /nfs/dbraw/zinc/52/49/51/351524951.db2.gz RSTQCURVMBOMPC-UHFFFAOYSA-N 1 2 245.330 2.183 20 30 BEEDLO COc1ccc(C[NH2+]CC(C)(C)C#N)c(F)c1 ZINC000405041607 351544145 /nfs/dbraw/zinc/54/41/45/351544145.db2.gz SJCGKGILTWCTAH-UHFFFAOYSA-N 1 2 236.290 2.474 20 30 BEEDLO C[C@H](CCC#N)[N@H+](C)Cc1cscn1 ZINC000276276522 351613806 /nfs/dbraw/zinc/61/38/06/351613806.db2.gz DYRYLKHWMWSYLW-SECBINFHSA-N 1 2 209.318 2.267 20 30 BEEDLO C[C@H](CCC#N)[N@@H+](C)Cc1cscn1 ZINC000276276522 351613809 /nfs/dbraw/zinc/61/38/09/351613809.db2.gz DYRYLKHWMWSYLW-SECBINFHSA-N 1 2 209.318 2.267 20 30 BEEDLO N#Cc1cccc2c1C[N@H+](CCCCCO)C2 ZINC000405057870 351558643 /nfs/dbraw/zinc/55/86/43/351558643.db2.gz OMJLAFABKNOCSN-UHFFFAOYSA-N 1 2 230.311 2.036 20 30 BEEDLO N#Cc1cccc2c1C[N@@H+](CCCCCO)C2 ZINC000405057870 351558644 /nfs/dbraw/zinc/55/86/44/351558644.db2.gz OMJLAFABKNOCSN-UHFFFAOYSA-N 1 2 230.311 2.036 20 30 BEEDLO C=CCC[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000282540097 351935055 /nfs/dbraw/zinc/93/50/55/351935055.db2.gz RICHWRHYTVWAGX-UHFFFAOYSA-N 1 2 222.336 2.041 20 30 BEEDLO C=CCC[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000282540097 351935058 /nfs/dbraw/zinc/93/50/58/351935058.db2.gz RICHWRHYTVWAGX-UHFFFAOYSA-N 1 2 222.336 2.041 20 30 BEEDLO CCc1ccccc1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000283988793 351988721 /nfs/dbraw/zinc/98/87/21/351988721.db2.gz GWXHOXAMNVHASU-CYBMUJFWSA-N 1 2 248.326 2.217 20 30 BEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cnc[nH]1 ZINC000619510801 352184367 /nfs/dbraw/zinc/18/43/67/352184367.db2.gz YUVQHXSTEZQUEW-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cnc[nH]1 ZINC000619510801 352184369 /nfs/dbraw/zinc/18/43/69/352184369.db2.gz YUVQHXSTEZQUEW-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1c[nH]cn1 ZINC000619510801 352184370 /nfs/dbraw/zinc/18/43/70/352184370.db2.gz YUVQHXSTEZQUEW-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1c[nH]cn1 ZINC000619510801 352184372 /nfs/dbraw/zinc/18/43/72/352184372.db2.gz YUVQHXSTEZQUEW-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO C=CC[N@H+](CCC#N)CCc1cccnc1 ZINC000292074405 352300689 /nfs/dbraw/zinc/30/06/89/352300689.db2.gz CXYXMBHCGLTKEM-UHFFFAOYSA-N 1 2 215.300 2.026 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCc1cccnc1 ZINC000292074405 352300693 /nfs/dbraw/zinc/30/06/93/352300693.db2.gz CXYXMBHCGLTKEM-UHFFFAOYSA-N 1 2 215.300 2.026 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCOCC(C)C ZINC000292098682 352301961 /nfs/dbraw/zinc/30/19/61/352301961.db2.gz GDPNJYBPEGYJQA-UHFFFAOYSA-N 1 2 210.321 2.061 20 30 BEEDLO C=CC[N@H+](CCC#N)CCOCC(C)C ZINC000292098682 352301965 /nfs/dbraw/zinc/30/19/65/352301965.db2.gz GDPNJYBPEGYJQA-UHFFFAOYSA-N 1 2 210.321 2.061 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@](C)(O)c1ccccc1 ZINC000292239395 352309152 /nfs/dbraw/zinc/30/91/52/352309152.db2.gz QEMWUQZLAJVBTN-HNNXBMFYSA-N 1 2 244.338 2.296 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@](C)(O)c1ccccc1 ZINC000292239395 352309156 /nfs/dbraw/zinc/30/91/56/352309156.db2.gz QEMWUQZLAJVBTN-HNNXBMFYSA-N 1 2 244.338 2.296 20 30 BEEDLO COC(=O)[C@@H](C)[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000411389368 191182401 /nfs/dbraw/zinc/18/24/01/191182401.db2.gz MDEYTUCQNWUFBV-AAEUAGOBSA-N 1 2 246.310 2.040 20 30 BEEDLO N#CCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000404842433 352591264 /nfs/dbraw/zinc/59/12/64/352591264.db2.gz OWNHKABILANVPT-UHFFFAOYSA-N 1 2 200.232 2.021 20 30 BEEDLO C#CCCCSc1nc(N)cc(CC)[nH+]1 ZINC000279066856 187751795 /nfs/dbraw/zinc/75/17/95/187751795.db2.gz JKXZQQTXKOZYSP-UHFFFAOYSA-N 1 2 221.329 2.127 20 30 BEEDLO N#Cc1csc(C[NH2+]Cc2ccccc2F)n1 ZINC000352821591 188085839 /nfs/dbraw/zinc/08/58/39/188085839.db2.gz HQPATPCGQWOVKF-UHFFFAOYSA-N 1 2 247.298 2.444 20 30 BEEDLO C#CC[N@@H+](Cc1ccn(C(C)C)n1)C1CC1 ZINC000274238551 188091361 /nfs/dbraw/zinc/09/13/61/188091361.db2.gz XOLVRHHETFVYNW-UHFFFAOYSA-N 1 2 217.316 2.062 20 30 BEEDLO C#CC[N@H+](Cc1ccn(C(C)C)n1)C1CC1 ZINC000274238551 188091363 /nfs/dbraw/zinc/09/13/63/188091363.db2.gz XOLVRHHETFVYNW-UHFFFAOYSA-N 1 2 217.316 2.062 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccncc1F ZINC000336757851 353163425 /nfs/dbraw/zinc/16/34/25/353163425.db2.gz ZDZBGIFQKQTUQZ-SECBINFHSA-N 1 2 219.263 2.175 20 30 BEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ncc[nH]1 ZINC000609536691 353165793 /nfs/dbraw/zinc/16/57/93/353165793.db2.gz YWOQIPWCWJMDNL-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ncc[nH]1 ZINC000609536691 353165796 /nfs/dbraw/zinc/16/57/96/353165796.db2.gz YWOQIPWCWJMDNL-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO CN(Cc1[nH]cc[nH+]1)Cc1cc(C#N)ccc1F ZINC000609536552 353165802 /nfs/dbraw/zinc/16/58/02/353165802.db2.gz WZCYXBRMGBZHRW-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C=CCCCNc1cc[nH+]c(C(C)C)n1 ZINC000336763422 353212935 /nfs/dbraw/zinc/21/29/35/353212935.db2.gz PDMORVHVZWHQNM-UHFFFAOYSA-N 1 2 205.305 2.400 20 30 BEEDLO C=CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000121199531 324006010 /nfs/dbraw/zinc/00/60/10/324006010.db2.gz RPDWSTSTKMTAGT-UHFFFAOYSA-N 1 2 224.235 2.352 20 30 BEEDLO C=CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000121199531 324006012 /nfs/dbraw/zinc/00/60/12/324006012.db2.gz RPDWSTSTKMTAGT-UHFFFAOYSA-N 1 2 224.235 2.352 20 30 BEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1cnc(C)cn1 ZINC000331194653 353228705 /nfs/dbraw/zinc/22/87/05/353228705.db2.gz WMZVFLWFAICFPZ-PWSUYJOCSA-N 1 2 232.331 2.328 20 30 BEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1cnc(C)cn1 ZINC000331194653 353228707 /nfs/dbraw/zinc/22/87/07/353228707.db2.gz WMZVFLWFAICFPZ-PWSUYJOCSA-N 1 2 232.331 2.328 20 30 BEEDLO CCc1noc(C)c1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331355868 353245829 /nfs/dbraw/zinc/24/58/29/353245829.db2.gz REHBEUOCQITTFB-MFKMUULPSA-N 1 2 233.315 2.327 20 30 BEEDLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(F)F ZINC000331289268 353242315 /nfs/dbraw/zinc/24/23/15/353242315.db2.gz AUJZFAAKPFQSER-ZCFIWIBFSA-N 1 2 217.219 2.066 20 30 BEEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(C#N)CC1 ZINC000171381957 353277185 /nfs/dbraw/zinc/27/71/85/353277185.db2.gz IBRSDWKKRWTYNK-UHFFFAOYSA-N 1 2 243.285 2.433 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)s1 ZINC000336517254 188231015 /nfs/dbraw/zinc/23/10/15/188231015.db2.gz RUHKRHSJZLTWDU-ZDUSSCGKSA-N 1 2 248.351 2.231 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)s1 ZINC000336517254 188231016 /nfs/dbraw/zinc/23/10/16/188231016.db2.gz RUHKRHSJZLTWDU-ZDUSSCGKSA-N 1 2 248.351 2.231 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000131660635 353371761 /nfs/dbraw/zinc/37/17/61/353371761.db2.gz JEZVQNSURCCUSC-UHFFFAOYSA-N 1 2 232.692 2.498 20 30 BEEDLO C=CCCN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284005376 353508308 /nfs/dbraw/zinc/50/83/08/353508308.db2.gz DTRMHBGNXKOKGU-INIZCTEOSA-N 1 2 244.382 2.421 20 30 BEEDLO C=CCCN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284005376 353508310 /nfs/dbraw/zinc/50/83/10/353508310.db2.gz DTRMHBGNXKOKGU-INIZCTEOSA-N 1 2 244.382 2.421 20 30 BEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H](C)O1 ZINC000191870124 353514894 /nfs/dbraw/zinc/51/48/94/353514894.db2.gz PGKIFOGIHFGLBV-OKILXGFUSA-N 1 2 229.323 2.147 20 30 BEEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H](C)O1 ZINC000191870124 353514896 /nfs/dbraw/zinc/51/48/96/353514896.db2.gz PGKIFOGIHFGLBV-OKILXGFUSA-N 1 2 229.323 2.147 20 30 BEEDLO CC(C)c1cc(NCC#CCO)nc(C(C)C)[nH+]1 ZINC000285500646 353545079 /nfs/dbraw/zinc/54/50/79/353545079.db2.gz FGGMNIWFPIQEDL-UHFFFAOYSA-N 1 2 247.342 2.131 20 30 BEEDLO Cc1ccnc([C@H](C)[NH2+]C[C@@H](C)C#N)c1 ZINC000308829436 353552519 /nfs/dbraw/zinc/55/25/19/353552519.db2.gz FQWQONFAANLTBV-QWRGUYRKSA-N 1 2 203.289 2.200 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000286399075 353560450 /nfs/dbraw/zinc/56/04/50/353560450.db2.gz ZXVKAAOPUPDQDN-UHFFFAOYSA-N 1 2 219.332 2.308 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000286399075 353560451 /nfs/dbraw/zinc/56/04/51/353560451.db2.gz ZXVKAAOPUPDQDN-UHFFFAOYSA-N 1 2 219.332 2.308 20 30 BEEDLO C=C1CC[NH+](Cc2cn(C(C)C)nn2)CC1 ZINC000289382867 353627145 /nfs/dbraw/zinc/62/71/45/353627145.db2.gz QERSJTHQKZLUKM-UHFFFAOYSA-N 1 2 220.320 2.011 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000289461388 353629318 /nfs/dbraw/zinc/62/93/18/353629318.db2.gz GFJIHHXXMUFRKN-UHFFFAOYSA-N 1 2 206.289 2.037 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000289461388 353629321 /nfs/dbraw/zinc/62/93/21/353629321.db2.gz GFJIHHXXMUFRKN-UHFFFAOYSA-N 1 2 206.289 2.037 20 30 BEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000293179325 353735789 /nfs/dbraw/zinc/73/57/89/353735789.db2.gz PNYSUJALGZMFOQ-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000293179325 353735791 /nfs/dbraw/zinc/73/57/91/353735791.db2.gz PNYSUJALGZMFOQ-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO CC#CC[N@@H+](C)Cc1c(C)onc1CC ZINC000293155980 353734533 /nfs/dbraw/zinc/73/45/33/353734533.db2.gz OLGVCZGPEFUZMB-UHFFFAOYSA-N 1 2 206.289 2.001 20 30 BEEDLO CC#CC[N@H+](C)Cc1c(C)onc1CC ZINC000293155980 353734537 /nfs/dbraw/zinc/73/45/37/353734537.db2.gz OLGVCZGPEFUZMB-UHFFFAOYSA-N 1 2 206.289 2.001 20 30 BEEDLO C#C[C@H]([NH2+]Cc1c(F)ccc(O)c1F)C(C)C ZINC000294553494 353782222 /nfs/dbraw/zinc/78/22/22/353782222.db2.gz FKEIUSFJJNQKRC-NSHDSACASA-N 1 2 239.265 2.418 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nn(CC)nc1C ZINC000294547328 353782764 /nfs/dbraw/zinc/78/27/64/353782764.db2.gz JYVZKCSTSTZRDZ-UHFFFAOYSA-N 1 2 222.336 2.004 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nn(CC)nc1C ZINC000294547328 353782768 /nfs/dbraw/zinc/78/27/68/353782768.db2.gz JYVZKCSTSTZRDZ-UHFFFAOYSA-N 1 2 222.336 2.004 20 30 BEEDLO C=CC(C)(C)C(=O)OCc1c[nH+]ccc1OC ZINC000296687312 353830730 /nfs/dbraw/zinc/83/07/30/353830730.db2.gz BIQCSQRXALRAMM-UHFFFAOYSA-N 1 2 235.283 2.346 20 30 BEEDLO CC#CCCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000185322872 353791180 /nfs/dbraw/zinc/79/11/80/353791180.db2.gz XTDGISABJFWNDL-UHFFFAOYSA-N 1 2 245.326 2.280 20 30 BEEDLO CC#CCCCC(=O)Nc1c[nH+]ccc1OC ZINC000185353846 353794148 /nfs/dbraw/zinc/79/41/48/353794148.db2.gz FDLGPQFOFBCHED-UHFFFAOYSA-N 1 2 232.283 2.222 20 30 BEEDLO N#CC1(C[N@H+](Cc2ccccn2)C2CC2)CC1 ZINC000343581513 353938705 /nfs/dbraw/zinc/93/87/05/353938705.db2.gz HXMKGIGMMNNOAS-UHFFFAOYSA-N 1 2 227.311 2.350 20 30 BEEDLO N#CC1(C[N@@H+](Cc2ccccn2)C2CC2)CC1 ZINC000343581513 353938706 /nfs/dbraw/zinc/93/87/06/353938706.db2.gz HXMKGIGMMNNOAS-UHFFFAOYSA-N 1 2 227.311 2.350 20 30 BEEDLO N#CC1(C[N@H+](Cc2cccnc2)C2CC2)CC1 ZINC000343618306 353946276 /nfs/dbraw/zinc/94/62/76/353946276.db2.gz FEKMOEXNPUQIKF-UHFFFAOYSA-N 1 2 227.311 2.350 20 30 BEEDLO N#CC1(C[N@@H+](Cc2cccnc2)C2CC2)CC1 ZINC000343618306 353946277 /nfs/dbraw/zinc/94/62/77/353946277.db2.gz FEKMOEXNPUQIKF-UHFFFAOYSA-N 1 2 227.311 2.350 20 30 BEEDLO CC1(C)CCC[N@H+](CCC2(O)CCC2)[C@@H]1C#N ZINC000334564434 354084140 /nfs/dbraw/zinc/08/41/40/354084140.db2.gz ZFJDDDONRODWMV-GFCCVEGCSA-N 1 2 236.359 2.306 20 30 BEEDLO CC1(C)CCC[N@@H+](CCC2(O)CCC2)[C@@H]1C#N ZINC000334564434 354084141 /nfs/dbraw/zinc/08/41/41/354084141.db2.gz ZFJDDDONRODWMV-GFCCVEGCSA-N 1 2 236.359 2.306 20 30 BEEDLO N#Cc1c(C[N@H+]2CC[C@H](F)C2)cn2ccccc12 ZINC000336259487 181072296 /nfs/dbraw/zinc/07/22/96/181072296.db2.gz FXORFHIEGHOCST-LBPRGKRZSA-N 1 2 243.285 2.355 20 30 BEEDLO N#Cc1c(C[N@@H+]2CC[C@H](F)C2)cn2ccccc12 ZINC000336259487 181072297 /nfs/dbraw/zinc/07/22/97/181072297.db2.gz FXORFHIEGHOCST-LBPRGKRZSA-N 1 2 243.285 2.355 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121793677 358485591 /nfs/dbraw/zinc/48/55/91/358485591.db2.gz GIBKQHNUTFJKQE-OAHLLOKOSA-N 1 2 229.323 2.257 20 30 BEEDLO CC#CC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121793677 358485595 /nfs/dbraw/zinc/48/55/95/358485595.db2.gz GIBKQHNUTFJKQE-OAHLLOKOSA-N 1 2 229.323 2.257 20 30 BEEDLO C=CC(C)(C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000334611420 354295104 /nfs/dbraw/zinc/29/51/04/354295104.db2.gz OJHOWMZHJQMTNU-UWVGGRQHSA-N 1 2 233.315 2.217 20 30 BEEDLO CCC1CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000335081696 354644942 /nfs/dbraw/zinc/64/49/42/354644942.db2.gz LSRNIYVGFNBEOZ-UHFFFAOYSA-N 1 2 201.273 2.108 20 30 BEEDLO C[N@@H+](Cc1ccoc1)C[C@H](C#N)CCC#N ZINC000345609352 354729215 /nfs/dbraw/zinc/72/92/15/354729215.db2.gz IUZVERWUBRHIKS-NSHDSACASA-N 1 2 217.272 2.155 20 30 BEEDLO C[N@H+](Cc1ccoc1)C[C@H](C#N)CCC#N ZINC000345609352 354729219 /nfs/dbraw/zinc/72/92/19/354729219.db2.gz IUZVERWUBRHIKS-NSHDSACASA-N 1 2 217.272 2.155 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C(=O)OC ZINC000301052774 363393628 /nfs/dbraw/zinc/39/36/28/363393628.db2.gz WVHPGWLIGHDNRX-UTUOFQBUSA-N 1 2 225.332 2.130 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000301052772 363393791 /nfs/dbraw/zinc/39/37/91/363393791.db2.gz WVHPGWLIGHDNRX-SRVKXCTJSA-N 1 2 225.332 2.130 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)C(=O)OC ZINC000301051480 363396743 /nfs/dbraw/zinc/39/67/43/363396743.db2.gz UPCMYSNRIPBDSN-QCNOEVLYSA-N 1 2 225.332 2.128 20 30 BEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000335184010 355082491 /nfs/dbraw/zinc/08/24/91/355082491.db2.gz GYZWSDQDSUDWNR-GXSJLCMTSA-N 1 2 246.339 2.178 20 30 BEEDLO N#Cc1ncccc1NCc1cn2ccccc2[nH+]1 ZINC000357320441 181171863 /nfs/dbraw/zinc/17/18/63/181171863.db2.gz YAIKOILCKXKCDB-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO N#CC[N@H+](CCCC1CCOCC1)C1CC1 ZINC000346873898 355141775 /nfs/dbraw/zinc/14/17/75/355141775.db2.gz OYOVXHKTVJLKRY-UHFFFAOYSA-N 1 2 222.332 2.181 20 30 BEEDLO N#CC[N@@H+](CCCC1CCOCC1)C1CC1 ZINC000346873898 355141776 /nfs/dbraw/zinc/14/17/76/355141776.db2.gz OYOVXHKTVJLKRY-UHFFFAOYSA-N 1 2 222.332 2.181 20 30 BEEDLO CCc1ccc(C[N@H+](C)C[C@@H](C)C#N)cn1 ZINC000347590482 355247843 /nfs/dbraw/zinc/24/78/43/355247843.db2.gz OOULPHDFUJNKMT-NSHDSACASA-N 1 2 217.316 2.235 20 30 BEEDLO CCc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cn1 ZINC000347590482 355247850 /nfs/dbraw/zinc/24/78/50/355247850.db2.gz OOULPHDFUJNKMT-NSHDSACASA-N 1 2 217.316 2.235 20 30 BEEDLO CC[C@@H](C[N@H+](CCC#N)Cc1ccco1)OC ZINC000412976811 191347702 /nfs/dbraw/zinc/34/77/02/191347702.db2.gz KBYJBBUQRNDKPU-LBPRGKRZSA-N 1 2 236.315 2.420 20 30 BEEDLO CC[C@@H](C[N@@H+](CCC#N)Cc1ccco1)OC ZINC000412976811 191347703 /nfs/dbraw/zinc/34/77/03/191347703.db2.gz KBYJBBUQRNDKPU-LBPRGKRZSA-N 1 2 236.315 2.420 20 30 BEEDLO O=C(NCc1[nH]cc[nH+]1)C1(C2CC2)CCOCC1 ZINC000329694653 356033645 /nfs/dbraw/zinc/03/36/45/356033645.db2.gz BATLCSZKAYRDQB-UHFFFAOYSA-N 1 2 249.314 2.073 20 30 BEEDLO C=C[C@@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420801919 192261807 /nfs/dbraw/zinc/26/18/07/192261807.db2.gz FAEUEXBXVGXRIC-SECBINFHSA-N 1 2 233.315 2.072 20 30 BEEDLO CC1(C)CCC[N@H+](CC[C@@H]2CCOC2)[C@H]1C#N ZINC000336184711 134121097 /nfs/dbraw/zinc/12/10/97/134121097.db2.gz QWDJZMFJVXULNX-OLZOCXBDSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCC[N@@H+](CC[C@@H]2CCOC2)[C@H]1C#N ZINC000336184711 134121098 /nfs/dbraw/zinc/12/10/98/134121098.db2.gz QWDJZMFJVXULNX-OLZOCXBDSA-N 1 2 236.359 2.427 20 30 BEEDLO CC[C@@H]1C[NH+](C[C@H](C#N)CCC#N)C[C@@H](CC)O1 ZINC000420940905 192288879 /nfs/dbraw/zinc/28/88/79/192288879.db2.gz DTMCYCDPXFQANC-BFHYXJOUSA-N 1 2 249.358 2.319 20 30 BEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421019770 192303903 /nfs/dbraw/zinc/30/39/03/192303903.db2.gz MRLNMCWZQYFURA-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@]12CCOC2 ZINC000421019770 192303905 /nfs/dbraw/zinc/30/39/05/192303905.db2.gz MRLNMCWZQYFURA-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC1(C#N)CC1 ZINC000336395539 134145977 /nfs/dbraw/zinc/14/59/77/134145977.db2.gz WIHBSEWEAHVMTQ-LLVKDONJSA-N 1 2 221.304 2.070 20 30 BEEDLO C[C@]1(C(N)=O)CCCC[N@H+]1CC1(C#N)CC1 ZINC000336395539 134145978 /nfs/dbraw/zinc/14/59/78/134145978.db2.gz WIHBSEWEAHVMTQ-LLVKDONJSA-N 1 2 221.304 2.070 20 30 BEEDLO Cc1cc([C@H]2CCC[N@@H+]2CC2(C#N)CC2)on1 ZINC000336630049 134152550 /nfs/dbraw/zinc/15/25/50/134152550.db2.gz CFHPJOCABIPCFI-LLVKDONJSA-N 1 2 231.299 2.424 20 30 BEEDLO Cc1cc([C@H]2CCC[N@H+]2CC2(C#N)CC2)on1 ZINC000336630049 134152551 /nfs/dbraw/zinc/15/25/51/134152551.db2.gz CFHPJOCABIPCFI-LLVKDONJSA-N 1 2 231.299 2.424 20 30 BEEDLO Cc1cccc2[nH+]cc(CN(CC#N)C3CC3)n21 ZINC000352743550 134151843 /nfs/dbraw/zinc/15/18/43/134151843.db2.gz VOSZTQQUWABYQM-UHFFFAOYSA-N 1 2 240.310 2.131 20 30 BEEDLO Cc1cccc(C[NH2+]C[C@@H](C)C#N)c1F ZINC000384624773 356698555 /nfs/dbraw/zinc/69/85/55/356698555.db2.gz JBUZHEHQMLTAPZ-VIFPVBQESA-N 1 2 206.264 2.383 20 30 BEEDLO Cc1ccc(O)c(C[N@@H+](C)CC(C)(C)C#N)n1 ZINC000354011094 134165885 /nfs/dbraw/zinc/16/58/85/134165885.db2.gz QXUIBSYNQOWTAM-UHFFFAOYSA-N 1 2 233.315 2.077 20 30 BEEDLO Cc1ccc(O)c(C[N@H+](C)CC(C)(C)C#N)n1 ZINC000354011094 134165886 /nfs/dbraw/zinc/16/58/86/134165886.db2.gz QXUIBSYNQOWTAM-UHFFFAOYSA-N 1 2 233.315 2.077 20 30 BEEDLO C=CCCC[N@@H+](C)[C@H](C)c1csnn1 ZINC000450427736 202163361 /nfs/dbraw/zinc/16/33/61/202163361.db2.gz ZOUMVJHHBQBFGO-SECBINFHSA-N 1 2 211.334 2.497 20 30 BEEDLO C=CCCC[N@H+](C)[C@H](C)c1csnn1 ZINC000450427736 202163365 /nfs/dbraw/zinc/16/33/65/202163365.db2.gz ZOUMVJHHBQBFGO-SECBINFHSA-N 1 2 211.334 2.497 20 30 BEEDLO CCOc1ccc(C[N@H+](CC)CCC#N)nc1 ZINC000088525591 356730477 /nfs/dbraw/zinc/73/04/77/356730477.db2.gz AXSPLWWUWGPDGJ-UHFFFAOYSA-N 1 2 233.315 2.216 20 30 BEEDLO CCOc1ccc(C[N@@H+](CC)CCC#N)nc1 ZINC000088525591 356730481 /nfs/dbraw/zinc/73/04/81/356730481.db2.gz AXSPLWWUWGPDGJ-UHFFFAOYSA-N 1 2 233.315 2.216 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(C#N)cc1 ZINC000093326696 356714707 /nfs/dbraw/zinc/71/47/07/356714707.db2.gz LHYMQTMGJATICX-SNVBAGLBSA-N 1 2 227.267 2.397 20 30 BEEDLO CCC#C[C@H](C)[N@H+](C)Cc1ccns1 ZINC000639806883 356778206 /nfs/dbraw/zinc/77/82/06/356778206.db2.gz IMDLWDYQBBZUJA-JTQLQIEISA-N 1 2 208.330 2.377 20 30 BEEDLO CCC#C[C@H](C)[N@@H+](C)Cc1ccns1 ZINC000639806883 356778212 /nfs/dbraw/zinc/77/82/12/356778212.db2.gz IMDLWDYQBBZUJA-JTQLQIEISA-N 1 2 208.330 2.377 20 30 BEEDLO COC[C@H](Cc1ccccc1)[N@H+](C)CCC#N ZINC000355789144 134174955 /nfs/dbraw/zinc/17/49/55/134174955.db2.gz VPCCLQJHDQMEER-AWEZNQCLSA-N 1 2 232.327 2.090 20 30 BEEDLO COC[C@H](Cc1ccccc1)[N@@H+](C)CCC#N ZINC000355789144 134174956 /nfs/dbraw/zinc/17/49/56/134174956.db2.gz VPCCLQJHDQMEER-AWEZNQCLSA-N 1 2 232.327 2.090 20 30 BEEDLO C=CC[N@H+](Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000357531259 134183734 /nfs/dbraw/zinc/18/37/34/134183734.db2.gz QBNWBRNJTMQSEQ-UHFFFAOYSA-N 1 2 245.282 2.480 20 30 BEEDLO C=CC[N@@H+](Cc1nc(-c2ccoc2)no1)C1CC1 ZINC000357531259 134183735 /nfs/dbraw/zinc/18/37/35/134183735.db2.gz QBNWBRNJTMQSEQ-UHFFFAOYSA-N 1 2 245.282 2.480 20 30 BEEDLO COC[C@@H](C)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000582824893 357408238 /nfs/dbraw/zinc/40/82/38/357408238.db2.gz HWAJSGOWVRATFC-NWDGAFQWSA-N 1 2 224.348 2.283 20 30 BEEDLO COC[C@@H](C)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000582824893 357408243 /nfs/dbraw/zinc/40/82/43/357408243.db2.gz HWAJSGOWVRATFC-NWDGAFQWSA-N 1 2 224.348 2.283 20 30 BEEDLO C[N@H+](CC#N)C[C@H]1C[C@@H]1c1ccccc1 ZINC000361294212 134204346 /nfs/dbraw/zinc/20/43/46/134204346.db2.gz DAGZPMPCHKVVIX-CHWSQXEVSA-N 1 2 200.285 2.245 20 30 BEEDLO C[N@@H+](CC#N)C[C@H]1C[C@@H]1c1ccccc1 ZINC000361294212 134204347 /nfs/dbraw/zinc/20/43/47/134204347.db2.gz DAGZPMPCHKVVIX-CHWSQXEVSA-N 1 2 200.285 2.245 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1ccc(F)cc1C#N ZINC000191098073 357749335 /nfs/dbraw/zinc/74/93/35/357749335.db2.gz CKYBTTCKBUAEPK-UHFFFAOYSA-N 1 2 248.301 2.332 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1ccc(F)cc1C#N ZINC000191098073 357749337 /nfs/dbraw/zinc/74/93/37/357749337.db2.gz CKYBTTCKBUAEPK-UHFFFAOYSA-N 1 2 248.301 2.332 20 30 BEEDLO CC(C)c1ccc(C[NH+]2CC(O)(CC#N)C2)cc1 ZINC000191916859 357804261 /nfs/dbraw/zinc/80/42/61/357804261.db2.gz UPEQVUQJLLBPCU-UHFFFAOYSA-N 1 2 244.338 2.270 20 30 BEEDLO N#CC1(CNc2cc[nH+]c3ccccc23)CC1 ZINC000583298284 357883481 /nfs/dbraw/zinc/88/34/81/357883481.db2.gz HPWGNTHCHYLGJT-UHFFFAOYSA-N 1 2 223.279 2.372 20 30 BEEDLO C[N@@H+](CC#N)C[C@H]1CCCC(F)(F)C1 ZINC000300938447 134229527 /nfs/dbraw/zinc/22/95/27/134229527.db2.gz MYRDFCRJGITXCS-VIFPVBQESA-N 1 2 202.248 2.267 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccc(F)cc1F ZINC000051017445 357948746 /nfs/dbraw/zinc/94/87/46/357948746.db2.gz CKHLUPSTPHANPV-MRVPVSSYSA-N 1 2 210.227 2.357 20 30 BEEDLO Cc1cccn2cc(CN(C)[C@@H](C)CC#N)[nH+]c12 ZINC000610728939 358129154 /nfs/dbraw/zinc/12/91/54/358129154.db2.gz PFFQUMVPOCXXAT-LBPRGKRZSA-N 1 2 242.326 2.377 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000610897303 358228875 /nfs/dbraw/zinc/22/88/75/358228875.db2.gz HYOKINNSNBXCHH-NSHDSACASA-N 1 2 232.331 2.390 20 30 BEEDLO C[C@H](c1cnn(C)c1)[N@H+](C)CC1(C#N)CCC1 ZINC000450692835 202234250 /nfs/dbraw/zinc/23/42/50/202234250.db2.gz ASLPRFFCKPWJJF-LLVKDONJSA-N 1 2 232.331 2.107 20 30 BEEDLO C[C@H](c1cnn(C)c1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450692835 202234253 /nfs/dbraw/zinc/23/42/53/202234253.db2.gz ASLPRFFCKPWJJF-LLVKDONJSA-N 1 2 232.331 2.107 20 30 BEEDLO N#CC1(C[NH2+][C@@H](CO)c2cccc(F)c2)CCC1 ZINC000450706893 202240044 /nfs/dbraw/zinc/24/00/44/202240044.db2.gz GTXIHFMTOJTAPX-ZDUSSCGKSA-N 1 2 248.301 2.143 20 30 BEEDLO C=C(C)CCNc1cc[nH+]c(C(C)C)n1 ZINC000450714395 202240937 /nfs/dbraw/zinc/24/09/37/202240937.db2.gz LGPACBFGFYGAPN-UHFFFAOYSA-N 1 2 205.305 2.400 20 30 BEEDLO CC#CC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640153120 358431391 /nfs/dbraw/zinc/43/13/91/358431391.db2.gz LDXCIAINLXMBMJ-GFCCVEGCSA-N 1 2 209.239 2.449 20 30 BEEDLO C=C(C)C[NH+]1CCN(Cc2cccs2)CC1 ZINC000050274245 358722299 /nfs/dbraw/zinc/72/22/99/358722299.db2.gz MPASMAJNHIUXEJ-UHFFFAOYSA-N 1 2 236.384 2.442 20 30 BEEDLO C=C[C@](C)(CC)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000135128693 358822477 /nfs/dbraw/zinc/82/24/77/358822477.db2.gz XTUAOAYSUQFACZ-CQSZACIVSA-N 1 2 249.358 2.334 20 30 BEEDLO CC[C@@H](C)N1CC[NH+](CCCCC#N)CC1 ZINC000055066597 358881381 /nfs/dbraw/zinc/88/13/81/358881381.db2.gz LXWVEVSZXDIOER-CYBMUJFWSA-N 1 2 223.364 2.096 20 30 BEEDLO N#Cc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)ccn1 ZINC000611180404 358929010 /nfs/dbraw/zinc/92/90/10/358929010.db2.gz GGCYYDBYXDVVLF-UHFFFAOYSA-N 1 2 249.264 2.184 20 30 BEEDLO Cc1nnc(C[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000611388548 359357998 /nfs/dbraw/zinc/35/79/98/359357998.db2.gz JIUWKCSBCVLNFN-SECBINFHSA-N 1 2 242.282 2.101 20 30 BEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Cl)cn1 ZINC000611440079 359371568 /nfs/dbraw/zinc/37/15/68/359371568.db2.gz GJCMWHMKZMBRKW-JTQLQIEISA-N 1 2 248.717 2.268 20 30 BEEDLO CC#CC[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285736250 359326166 /nfs/dbraw/zinc/32/61/66/359326166.db2.gz QEBRDTZOUBSFKK-QMMMGPOBSA-N 1 2 210.227 2.034 20 30 BEEDLO C[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@@H](C)[C@@H](C)O1 ZINC000450823770 202276280 /nfs/dbraw/zinc/27/62/80/202276280.db2.gz DDKRDACWKIJFMG-GRYCIOLGSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@@H]1C[N@@H+](CC2(C#N)CCC2)[C@@H](C)[C@@H](C)O1 ZINC000450823770 202276283 /nfs/dbraw/zinc/27/62/83/202276283.db2.gz DDKRDACWKIJFMG-GRYCIOLGSA-N 1 2 222.332 2.178 20 30 BEEDLO CCc1nn(C)cc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612405897 359834047 /nfs/dbraw/zinc/83/40/47/359834047.db2.gz DPRZLXIBHYPROL-CQSZACIVSA-N 1 2 246.358 2.108 20 30 BEEDLO CCc1nn(C)cc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612405897 359834049 /nfs/dbraw/zinc/83/40/49/359834049.db2.gz DPRZLXIBHYPROL-CQSZACIVSA-N 1 2 246.358 2.108 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000578656449 366621963 /nfs/dbraw/zinc/62/19/63/366621963.db2.gz WVZAAMWSPQFNJT-STQMWFEESA-N 1 2 247.342 2.401 20 30 BEEDLO CCc1ccccc1NC(=O)C[NH2+][C@@H](C)CC#N ZINC000067405926 370667844 /nfs/dbraw/zinc/66/78/44/370667844.db2.gz SCGWIEKNGZXYBI-NSHDSACASA-N 1 2 245.326 2.079 20 30 BEEDLO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)CC#N ZINC000067406844 370669128 /nfs/dbraw/zinc/66/91/28/370669128.db2.gz XPACOOHNIVPMDS-JTQLQIEISA-N 1 2 233.315 2.099 20 30 BEEDLO C=CC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000613208697 361229788 /nfs/dbraw/zinc/22/97/88/361229788.db2.gz DXRGPAPZORAEEF-SNVBAGLBSA-N 1 2 207.277 2.091 20 30 BEEDLO C=CC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000613208697 361229791 /nfs/dbraw/zinc/22/97/91/361229791.db2.gz DXRGPAPZORAEEF-SNVBAGLBSA-N 1 2 207.277 2.091 20 30 BEEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000171067370 361303535 /nfs/dbraw/zinc/30/35/35/361303535.db2.gz QSPSWDKVWLBLFL-UHFFFAOYSA-N 1 2 240.253 2.021 20 30 BEEDLO C=CC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000171067370 361303540 /nfs/dbraw/zinc/30/35/40/361303540.db2.gz QSPSWDKVWLBLFL-UHFFFAOYSA-N 1 2 240.253 2.021 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)CCC(C)C ZINC000428864964 201045031 /nfs/dbraw/zinc/04/50/31/201045031.db2.gz AZXYCRURWDZVJK-CYBMUJFWSA-N 1 2 224.348 2.185 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H](O)CCC(C)C ZINC000428864964 201045032 /nfs/dbraw/zinc/04/50/32/201045032.db2.gz AZXYCRURWDZVJK-CYBMUJFWSA-N 1 2 224.348 2.185 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C(C)C)[nH]1 ZINC000428984727 201054374 /nfs/dbraw/zinc/05/43/74/201054374.db2.gz ILPFPAFZJQHWIZ-NSHDSACASA-N 1 2 234.347 2.469 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C(C)C)[nH]1 ZINC000428984727 201054376 /nfs/dbraw/zinc/05/43/76/201054376.db2.gz ILPFPAFZJQHWIZ-NSHDSACASA-N 1 2 234.347 2.469 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000579325154 366760011 /nfs/dbraw/zinc/76/00/11/366760011.db2.gz QDXAKGUYJFHUEP-GFCCVEGCSA-N 1 2 229.327 2.352 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579373083 366773910 /nfs/dbraw/zinc/77/39/10/366773910.db2.gz WMVYIYHPLHFPHC-VXGBXAGGSA-N 1 2 249.358 2.449 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579373083 366773913 /nfs/dbraw/zinc/77/39/13/366773913.db2.gz WMVYIYHPLHFPHC-VXGBXAGGSA-N 1 2 249.358 2.449 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncnn1C(C)C ZINC000434502667 201224457 /nfs/dbraw/zinc/22/44/57/201224457.db2.gz FIPZDKCXTWVWIQ-GFCCVEGCSA-N 1 2 234.347 2.400 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncnn1C(C)C ZINC000434502667 201224459 /nfs/dbraw/zinc/22/44/59/201224459.db2.gz FIPZDKCXTWVWIQ-GFCCVEGCSA-N 1 2 234.347 2.400 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435128085 201252667 /nfs/dbraw/zinc/25/26/67/201252667.db2.gz BSBPDYOJBQLXFN-JTQLQIEISA-N 1 2 244.298 2.404 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435128085 201252671 /nfs/dbraw/zinc/25/26/71/201252671.db2.gz BSBPDYOJBQLXFN-JTQLQIEISA-N 1 2 244.298 2.404 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435128541 201253872 /nfs/dbraw/zinc/25/38/72/201253872.db2.gz FBEVAYSOGHEBTB-JTQLQIEISA-N 1 2 244.298 2.261 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435128541 201253874 /nfs/dbraw/zinc/25/38/74/201253874.db2.gz FBEVAYSOGHEBTB-JTQLQIEISA-N 1 2 244.298 2.261 20 30 BEEDLO C=CCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334279 202574996 /nfs/dbraw/zinc/57/49/96/202574996.db2.gz MKSVTDSGIREOAJ-UHFFFAOYSA-N 1 2 219.288 2.124 20 30 BEEDLO N#CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133844475 364371842 /nfs/dbraw/zinc/37/18/42/364371842.db2.gz UORJHCJTJPSSRV-CHWSQXEVSA-N 1 2 200.285 2.436 20 30 BEEDLO C=CCCCCCNc1cc[nH+]c(C)n1 ZINC000573505423 364851252 /nfs/dbraw/zinc/85/12/52/364851252.db2.gz HDUNRNZGAQTFIP-UHFFFAOYSA-N 1 2 205.305 2.365 20 30 BEEDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192028586 365270708 /nfs/dbraw/zinc/27/07/08/365270708.db2.gz HHZZYTDUJXMXQX-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192028586 365270711 /nfs/dbraw/zinc/27/07/11/365270711.db2.gz HHZZYTDUJXMXQX-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000576050915 365465010 /nfs/dbraw/zinc/46/50/10/365465010.db2.gz WCSPJGWXGLBRBJ-NEPJUHHUSA-N 1 2 245.326 2.295 20 30 BEEDLO COCC[N@H+](CC#N)C[C@H]1CCCC[C@H]1C ZINC000453601738 202782634 /nfs/dbraw/zinc/78/26/34/202782634.db2.gz VAXOECYXJIXODZ-CHWSQXEVSA-N 1 2 224.348 2.285 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@H]1CCCC[C@H]1C ZINC000453601738 202782638 /nfs/dbraw/zinc/78/26/38/202782638.db2.gz VAXOECYXJIXODZ-CHWSQXEVSA-N 1 2 224.348 2.285 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(C2CC2)s1 ZINC000380267592 367166357 /nfs/dbraw/zinc/16/63/57/367166357.db2.gz USWASJUKYNDKLJ-QMMMGPOBSA-N 1 2 221.329 2.270 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cnc(C2CC2)s1 ZINC000380267591 367166651 /nfs/dbraw/zinc/16/66/51/367166651.db2.gz USWASJUKYNDKLJ-MRVPVSSYSA-N 1 2 221.329 2.270 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1nccn1C(F)F ZINC000381547233 367428295 /nfs/dbraw/zinc/42/82/95/367428295.db2.gz KYOXKZKSKJBHOG-QMMMGPOBSA-N 1 2 228.246 2.060 20 30 BEEDLO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]CCC#N ZINC000565771055 325954285 /nfs/dbraw/zinc/95/42/85/325954285.db2.gz VMMJPSLIBXRVPE-JOYOIKCWSA-N 1 2 202.257 2.012 20 30 BEEDLO CC[C@@H](Nc1cccc(C#N)n1)c1[nH]cc[nH+]1 ZINC000139773461 367995367 /nfs/dbraw/zinc/99/53/67/367995367.db2.gz QLXJSMNVKADMPB-SNVBAGLBSA-N 1 2 227.271 2.240 20 30 BEEDLO C=CC[NH+](CC=C)Cc1occc1C(=O)OC ZINC000045914484 368433434 /nfs/dbraw/zinc/43/34/34/368433434.db2.gz XYIIFJFSRDKMGS-UHFFFAOYSA-N 1 2 235.283 2.240 20 30 BEEDLO C#CC[N@@H+](Cc1nnc(C)o1)C1CCCCC1 ZINC000065960589 368636908 /nfs/dbraw/zinc/63/69/08/368636908.db2.gz UCVALTIEOVDMEJ-UHFFFAOYSA-N 1 2 233.315 2.146 20 30 BEEDLO C#CC[N@H+](Cc1nnc(C)o1)C1CCCCC1 ZINC000065960589 368636912 /nfs/dbraw/zinc/63/69/12/368636912.db2.gz UCVALTIEOVDMEJ-UHFFFAOYSA-N 1 2 233.315 2.146 20 30 BEEDLO Cc1cc(C[NH2+]Cc2cocn2)ccc1C#N ZINC000618193525 369084113 /nfs/dbraw/zinc/08/41/13/369084113.db2.gz WSKLRSQYYGAIGM-UHFFFAOYSA-N 1 2 227.267 2.145 20 30 BEEDLO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cocn1 ZINC000618741945 369207600 /nfs/dbraw/zinc/20/76/00/369207600.db2.gz OAXFJYNTXPXCGW-CQSZACIVSA-N 1 2 239.278 2.323 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1C ZINC000459484144 203290864 /nfs/dbraw/zinc/29/08/64/203290864.db2.gz GHLKSMMQMLGYML-ZJUUUORDSA-N 1 2 245.282 2.307 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1C ZINC000459484144 203290866 /nfs/dbraw/zinc/29/08/66/203290866.db2.gz GHLKSMMQMLGYML-ZJUUUORDSA-N 1 2 245.282 2.307 20 30 BEEDLO C[N@H+](Cc1cnc(C2CC2)nc1)CC(C)(C)C#N ZINC000459594035 203310293 /nfs/dbraw/zinc/31/02/93/203310293.db2.gz RGMNKIFNAYCTJD-UHFFFAOYSA-N 1 2 244.342 2.336 20 30 BEEDLO C[N@@H+](Cc1cnc(C2CC2)nc1)CC(C)(C)C#N ZINC000459594035 203310296 /nfs/dbraw/zinc/31/02/96/203310296.db2.gz RGMNKIFNAYCTJD-UHFFFAOYSA-N 1 2 244.342 2.336 20 30 BEEDLO C[N@H+](Cc1cncs1)[C@@H]1CCC[C@H]1C#N ZINC000400112233 369343309 /nfs/dbraw/zinc/34/33/09/369343309.db2.gz QLPYNRBRYGDYDY-GXSJLCMTSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1cncs1)[C@@H]1CCC[C@H]1C#N ZINC000400112233 369343317 /nfs/dbraw/zinc/34/33/17/369343317.db2.gz QLPYNRBRYGDYDY-GXSJLCMTSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@H+](Cc1cncs1)[C@H]1CCC[C@@H]1C#N ZINC000400112234 369343847 /nfs/dbraw/zinc/34/38/47/369343847.db2.gz QLPYNRBRYGDYDY-KOLCDFICSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1cncs1)[C@H]1CCC[C@@H]1C#N ZINC000400112234 369343851 /nfs/dbraw/zinc/34/38/51/369343851.db2.gz QLPYNRBRYGDYDY-KOLCDFICSA-N 1 2 221.329 2.267 20 30 BEEDLO Cc1cc(C[NH2+]CC2(C#N)CCCC2)on1 ZINC000405141601 369446399 /nfs/dbraw/zinc/44/63/99/369446399.db2.gz UVOIYGRYGWNOPS-UHFFFAOYSA-N 1 2 219.288 2.157 20 30 BEEDLO Cc1noc(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000405175570 369447936 /nfs/dbraw/zinc/44/79/36/369447936.db2.gz RFZUQKMWSAQNTI-UHFFFAOYSA-N 1 2 233.315 2.465 20 30 BEEDLO Cc1nc(C)c(C[NH2+]CC2(C#N)CCCC2)o1 ZINC000405169371 369448203 /nfs/dbraw/zinc/44/82/03/369448203.db2.gz MHBYCBFXGXNBIZ-UHFFFAOYSA-N 1 2 233.315 2.465 20 30 BEEDLO CN(Cc1c[nH+]c[nH]1)Cc1cc(C#N)ccc1F ZINC000619510715 369452552 /nfs/dbraw/zinc/45/25/52/369452552.db2.gz QSXWWWKHTBBHTB-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO CN(Cc1c[nH]c[nH+]1)Cc1cc(C#N)ccc1F ZINC000619510715 369452554 /nfs/dbraw/zinc/45/25/54/369452554.db2.gz QSXWWWKHTBBHTB-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)C(=O)OC ZINC000619703259 369535605 /nfs/dbraw/zinc/53/56/05/369535605.db2.gz YSURPBJTJICPBU-XQHKEYJVSA-N 1 2 237.343 2.272 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)C(=O)OC ZINC000619703255 369535729 /nfs/dbraw/zinc/53/57/29/369535729.db2.gz YSURPBJTJICPBU-LOWDOPEQSA-N 1 2 237.343 2.272 20 30 BEEDLO C=C[C@H]([NH2+][C@H]1C[C@@H]1C1CCCCC1)C(=O)OC ZINC000619702481 369535955 /nfs/dbraw/zinc/53/59/55/369535955.db2.gz NNFFFUAJPUHWRS-AGIUHOORSA-N 1 2 237.343 2.272 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000619717236 369546999 /nfs/dbraw/zinc/54/69/99/369546999.db2.gz LVQJQJHWLWPLGS-TZMCWYRMSA-N 1 2 247.338 2.450 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000619717236 369547002 /nfs/dbraw/zinc/54/70/02/369547002.db2.gz LVQJQJHWLWPLGS-TZMCWYRMSA-N 1 2 247.338 2.450 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000619717235 369547451 /nfs/dbraw/zinc/54/74/51/369547451.db2.gz LVQJQJHWLWPLGS-OCCSQVGLSA-N 1 2 247.338 2.450 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000619717235 369547455 /nfs/dbraw/zinc/54/74/55/369547455.db2.gz LVQJQJHWLWPLGS-OCCSQVGLSA-N 1 2 247.338 2.450 20 30 BEEDLO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccon1 ZINC000602017570 369735286 /nfs/dbraw/zinc/73/52/86/369735286.db2.gz PRWODIKYVXPNTR-CQSZACIVSA-N 1 2 239.278 2.323 20 30 BEEDLO C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C[C@H]1F ZINC000602599172 369824862 /nfs/dbraw/zinc/82/48/62/369824862.db2.gz FSSDCOAWPGEJAD-GXFFZTMASA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C[C@H]1F ZINC000602599172 369824864 /nfs/dbraw/zinc/82/48/64/369824864.db2.gz FSSDCOAWPGEJAD-GXFFZTMASA-N 1 2 233.290 2.133 20 30 BEEDLO C=CCC(CC=C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620602915 369950211 /nfs/dbraw/zinc/95/02/11/369950211.db2.gz FWSNOXIBVSTEQD-LLVKDONJSA-N 1 2 247.342 2.366 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620606097 369954668 /nfs/dbraw/zinc/95/46/68/369954668.db2.gz OCYSKWXIQDJTNI-MFKMUULPSA-N 1 2 235.331 2.200 20 30 BEEDLO C=C(C)CN(C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000621459742 370363509 /nfs/dbraw/zinc/36/35/09/370363509.db2.gz NDXLLIUTFWAPBX-MNOVXSKESA-N 1 2 248.330 2.106 20 30 BEEDLO C=CCSCCNc1cc(CC)[nH+]cn1 ZINC000226529673 371687764 /nfs/dbraw/zinc/68/77/64/371687764.db2.gz NLCBERPEZDTGRF-UHFFFAOYSA-N 1 2 223.345 2.370 20 30 BEEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1)C(F)F ZINC000228505135 372037621 /nfs/dbraw/zinc/03/76/21/372037621.db2.gz KMCCIFKNUXJBFG-QMMMGPOBSA-N 1 2 210.227 2.301 20 30 BEEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)o2)nn1 ZINC000631243276 372257421 /nfs/dbraw/zinc/25/74/21/372257421.db2.gz YXKCBTAKJKDMFZ-UHFFFAOYSA-N 1 2 246.314 2.045 20 30 BEEDLO C=C1CC(C)(C(=O)N[C@H](C)c2[nH+]ccn2CC)C1 ZINC000633291400 373454936 /nfs/dbraw/zinc/45/49/36/373454936.db2.gz ZWJFXKWQYNENIB-LLVKDONJSA-N 1 2 247.342 2.437 20 30 BEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000633335433 373482001 /nfs/dbraw/zinc/48/20/01/373482001.db2.gz YCZBRLQNNRVUMS-MNOVXSKESA-N 1 2 245.326 2.361 20 30 BEEDLO C=CCCC(C)(C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000633964961 373861596 /nfs/dbraw/zinc/86/15/96/373861596.db2.gz IFRJGGBMIRPTKC-UHFFFAOYSA-N 1 2 249.358 2.451 20 30 BEEDLO C=CCCC(C)(C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000633964961 373861602 /nfs/dbraw/zinc/86/16/02/373861602.db2.gz IFRJGGBMIRPTKC-UHFFFAOYSA-N 1 2 249.358 2.451 20 30 BEEDLO CCOC[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425226300 206020436 /nfs/dbraw/zinc/02/04/36/206020436.db2.gz HNTFWSWVXYYWEU-GFCCVEGCSA-N 1 2 245.326 2.125 20 30 BEEDLO CCOC[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425226301 206020765 /nfs/dbraw/zinc/02/07/65/206020765.db2.gz HNTFWSWVXYYWEU-LBPRGKRZSA-N 1 2 245.326 2.125 20 30 BEEDLO CCCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OC ZINC000424126109 206032813 /nfs/dbraw/zinc/03/28/13/206032813.db2.gz OPRVMVUUXLFGNA-QJPTWQEYSA-N 1 2 238.331 2.000 20 30 BEEDLO Cc1cc(C[NH2+]CC(F)F)ccc1C#N ZINC000459545426 206133981 /nfs/dbraw/zinc/13/39/81/206133981.db2.gz LFQVMHJCFWTTDF-UHFFFAOYSA-N 1 2 210.227 2.221 20 30 BEEDLO CC[N@H+](C[Si](C)(C)c1ccccc1)[C@H](C)C#N ZINC001643953131 1172512447 /nfs/dbraw/zinc/51/24/47/1172512447.db2.gz XNTDOVOWKNCMJY-CYBMUJFWSA-N 1 2 246.430 2.375 20 30 BEEDLO CC[N@@H+](C[Si](C)(C)c1ccccc1)[C@H](C)C#N ZINC001643953131 1172512453 /nfs/dbraw/zinc/51/24/53/1172512453.db2.gz XNTDOVOWKNCMJY-CYBMUJFWSA-N 1 2 246.430 2.375 20 30 BEEDLO CCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000177027780 169087001 /nfs/dbraw/zinc/08/70/01/169087001.db2.gz ZQGDDXFQFAVEHL-CYBMUJFWSA-N 1 2 246.310 2.114 20 30 BEEDLO CCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000177027780 169087004 /nfs/dbraw/zinc/08/70/04/169087004.db2.gz ZQGDDXFQFAVEHL-CYBMUJFWSA-N 1 2 246.310 2.114 20 30 BEEDLO Cc1c(C[N@H+](C)CCC#N)cccc1[N+](=O)[O-] ZINC000035649024 383864838 /nfs/dbraw/zinc/86/48/38/383864838.db2.gz BQNCHCBLPDXHLD-UHFFFAOYSA-N 1 2 233.271 2.249 20 30 BEEDLO Cc1c(C[N@@H+](C)CCC#N)cccc1[N+](=O)[O-] ZINC000035649024 383864841 /nfs/dbraw/zinc/86/48/41/383864841.db2.gz BQNCHCBLPDXHLD-UHFFFAOYSA-N 1 2 233.271 2.249 20 30 BEEDLO C=C(C)Cn1c2ccccc2[nH+]c1NCCO ZINC000298502655 383906820 /nfs/dbraw/zinc/90/68/20/383906820.db2.gz JJHXLSXQMWPMDR-UHFFFAOYSA-N 1 2 231.299 2.017 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1OC ZINC000036678631 383906900 /nfs/dbraw/zinc/90/69/00/383906900.db2.gz PVYQRHFKTRLODE-GFCCVEGCSA-N 1 2 218.300 2.477 20 30 BEEDLO C=CC[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116896499 383949200 /nfs/dbraw/zinc/94/92/00/383949200.db2.gz RWJLQYZZQWALKW-LLVKDONJSA-N 1 2 207.273 2.147 20 30 BEEDLO C=CC[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116896499 383949206 /nfs/dbraw/zinc/94/92/06/383949206.db2.gz RWJLQYZZQWALKW-LLVKDONJSA-N 1 2 207.273 2.147 20 30 BEEDLO Cc1cc(C[N@@H+]2CCO[C@H](CF)C2)ccc1C#N ZINC000334830972 383963638 /nfs/dbraw/zinc/96/36/38/383963638.db2.gz VHUMDEKXKFUTRX-CQSZACIVSA-N 1 2 248.301 2.037 20 30 BEEDLO Cc1cc(C[N@H+]2CCO[C@H](CF)C2)ccc1C#N ZINC000334830972 383963645 /nfs/dbraw/zinc/96/36/45/383963645.db2.gz VHUMDEKXKFUTRX-CQSZACIVSA-N 1 2 248.301 2.037 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000298851822 384023776 /nfs/dbraw/zinc/02/37/76/384023776.db2.gz IQFCUQXEZNZFFE-VIFPVBQESA-N 1 2 236.706 2.132 20 30 BEEDLO C[N@H+](Cc1cnns1)Cc1cccc(C#N)c1 ZINC000289291952 384071064 /nfs/dbraw/zinc/07/10/64/384071064.db2.gz HGNWRKWLHKFCKU-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C[N@@H+](Cc1cnns1)Cc1cccc(C#N)c1 ZINC000289291952 384071071 /nfs/dbraw/zinc/07/10/71/384071071.db2.gz HGNWRKWLHKFCKU-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000063086125 134395601 /nfs/dbraw/zinc/39/56/01/134395601.db2.gz LCYBJMBZUVOKNB-SECBINFHSA-N 1 2 223.707 2.469 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000063086125 134395603 /nfs/dbraw/zinc/39/56/03/134395603.db2.gz LCYBJMBZUVOKNB-SECBINFHSA-N 1 2 223.707 2.469 20 30 BEEDLO C#CCCCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000270942173 533041614 /nfs/dbraw/zinc/04/16/14/533041614.db2.gz SRUIUVMYWIKWGR-UHFFFAOYSA-N 1 2 234.274 2.184 20 30 BEEDLO COc1cccc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000042207241 384205565 /nfs/dbraw/zinc/20/55/65/384205565.db2.gz QCZVPVWVWDPBBV-LLVKDONJSA-N 1 2 218.300 2.287 20 30 BEEDLO COc1cccc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000042207241 384205568 /nfs/dbraw/zinc/20/55/68/384205568.db2.gz QCZVPVWVWDPBBV-LLVKDONJSA-N 1 2 218.300 2.287 20 30 BEEDLO C=CCCC[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000211761763 384230143 /nfs/dbraw/zinc/23/01/43/384230143.db2.gz IAHADYVXXYOQKQ-AWEZNQCLSA-N 1 2 247.338 2.327 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)o1 ZINC000335444077 384290449 /nfs/dbraw/zinc/29/04/49/384290449.db2.gz RPBFCQKPLIVBFZ-CQSZACIVSA-N 1 2 246.310 2.152 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)o1 ZINC000335444077 384290455 /nfs/dbraw/zinc/29/04/55/384290455.db2.gz RPBFCQKPLIVBFZ-CQSZACIVSA-N 1 2 246.310 2.152 20 30 BEEDLO Cc1cc(N2CCSC[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000335510896 384296702 /nfs/dbraw/zinc/29/67/02/384296702.db2.gz MBTPRPIOBYKYDF-JTQLQIEISA-N 1 2 247.367 2.451 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1c(C)onc1CC ZINC000490829810 384419548 /nfs/dbraw/zinc/41/95/48/384419548.db2.gz DYDRLMXCYCNICK-UHFFFAOYSA-N 1 2 230.311 2.004 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1c(C)onc1CC ZINC000490829810 384419560 /nfs/dbraw/zinc/41/95/60/384419560.db2.gz DYDRLMXCYCNICK-UHFFFAOYSA-N 1 2 230.311 2.004 20 30 BEEDLO CCCN(CC#N)Cc1cn2ccccc2[nH+]1 ZINC000045092588 384375870 /nfs/dbraw/zinc/37/58/70/384375870.db2.gz LVMYCNMTHCHYNE-UHFFFAOYSA-N 1 2 228.299 2.070 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000075886861 384385982 /nfs/dbraw/zinc/38/59/82/384385982.db2.gz SNTFGQBSBFYDQX-SNVBAGLBSA-N 1 2 239.319 2.175 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000075886861 384385990 /nfs/dbraw/zinc/38/59/90/384385990.db2.gz SNTFGQBSBFYDQX-SNVBAGLBSA-N 1 2 239.319 2.175 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nc([C@H](C)OC)no1 ZINC000175063310 384391314 /nfs/dbraw/zinc/39/13/14/384391314.db2.gz IQKNOOWAOIOFRY-JTQLQIEISA-N 1 2 239.319 2.175 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nc([C@H](C)OC)no1 ZINC000175063310 384391317 /nfs/dbraw/zinc/39/13/17/384391317.db2.gz IQKNOOWAOIOFRY-JTQLQIEISA-N 1 2 239.319 2.175 20 30 BEEDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000340524040 384437055 /nfs/dbraw/zinc/43/70/55/384437055.db2.gz AXUPBDCUWHXHDX-VIFPVBQESA-N 1 2 242.282 2.101 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(O)cc(F)c1 ZINC000159600097 384440690 /nfs/dbraw/zinc/44/06/90/384440690.db2.gz OCWLAPHQKVVKIJ-NSHDSACASA-N 1 2 222.263 2.313 20 30 BEEDLO COC(=O)[C@@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000050509627 384628767 /nfs/dbraw/zinc/62/87/67/384628767.db2.gz GURITYMGKFZYKA-ZDUSSCGKSA-N 1 2 246.310 2.184 20 30 BEEDLO Cc1ccc(NC(=O)N[C@H](C)CC#N)c(C)[nH+]1 ZINC000162243804 384592704 /nfs/dbraw/zinc/59/27/04/384592704.db2.gz UUBUGISYWKLUHP-SECBINFHSA-N 1 2 232.287 2.122 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C(=O)OC ZINC000491788486 384721438 /nfs/dbraw/zinc/72/14/38/384721438.db2.gz ZGQKDXXPDAVVEI-SNVBAGLBSA-N 1 2 249.285 2.066 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C(=O)OC ZINC000491788486 384721445 /nfs/dbraw/zinc/72/14/45/384721445.db2.gz ZGQKDXXPDAVVEI-SNVBAGLBSA-N 1 2 249.285 2.066 20 30 BEEDLO N#CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000173980830 384740827 /nfs/dbraw/zinc/74/08/27/384740827.db2.gz TXRSRFGHGLZZBB-CQSZACIVSA-N 1 2 230.311 2.049 20 30 BEEDLO N#CC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000173980830 384740834 /nfs/dbraw/zinc/74/08/34/384740834.db2.gz TXRSRFGHGLZZBB-CQSZACIVSA-N 1 2 230.311 2.049 20 30 BEEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(CC)c1 ZINC000293292102 384782631 /nfs/dbraw/zinc/78/26/31/384782631.db2.gz VZRBFTNKXXOSSP-UHFFFAOYSA-N 1 2 244.338 2.143 20 30 BEEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(CC)c1 ZINC000293292102 384782639 /nfs/dbraw/zinc/78/26/39/384782639.db2.gz VZRBFTNKXXOSSP-UHFFFAOYSA-N 1 2 244.338 2.143 20 30 BEEDLO C#CCOc1ccccc1C[N@H+](CC)CCC#N ZINC000127650917 384929829 /nfs/dbraw/zinc/92/98/29/384929829.db2.gz BPYNDKKDXHVVIA-UHFFFAOYSA-N 1 2 242.322 2.434 20 30 BEEDLO C#CCOc1ccccc1C[N@@H+](CC)CCC#N ZINC000127650917 384929836 /nfs/dbraw/zinc/92/98/36/384929836.db2.gz BPYNDKKDXHVVIA-UHFFFAOYSA-N 1 2 242.322 2.434 20 30 BEEDLO C=CC[C@@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000302129733 384961245 /nfs/dbraw/zinc/96/12/45/384961245.db2.gz JSQRJADDOXFRLK-NSHDSACASA-N 1 2 235.331 2.257 20 30 BEEDLO C=C(C)C[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000336682303 385026453 /nfs/dbraw/zinc/02/64/53/385026453.db2.gz PMMJCRQOGDFKQJ-GFCCVEGCSA-N 1 2 221.304 2.169 20 30 BEEDLO C=C(Cl)C[N@@H+](CCOC)Cc1ccccn1 ZINC000298020978 385030534 /nfs/dbraw/zinc/03/05/34/385030534.db2.gz BDBFVFJFVJJZMG-UHFFFAOYSA-N 1 2 240.734 2.283 20 30 BEEDLO C=C(Cl)C[N@H+](CCOC)Cc1ccccn1 ZINC000298020978 385030539 /nfs/dbraw/zinc/03/05/39/385030539.db2.gz BDBFVFJFVJJZMG-UHFFFAOYSA-N 1 2 240.734 2.283 20 30 BEEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000648265251 385039051 /nfs/dbraw/zinc/03/90/51/385039051.db2.gz RAMIUZYOLVUXTJ-GFCCVEGCSA-N 1 2 247.342 2.259 20 30 BEEDLO Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)c[nH+]1 ZINC000309098789 385044667 /nfs/dbraw/zinc/04/46/67/385044667.db2.gz FWWYZBRHZVOOBW-MNOVXSKESA-N 1 2 201.273 2.494 20 30 BEEDLO C#CCN(Cc1[nH]cc[nH+]1)Cc1ccc(F)cc1 ZINC000109834531 385193298 /nfs/dbraw/zinc/19/32/98/385193298.db2.gz QHUZUIMYESNREW-UHFFFAOYSA-N 1 2 243.285 2.184 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000063086360 385207737 /nfs/dbraw/zinc/20/77/37/385207737.db2.gz PELBSDVEMMNKIP-LBPRGKRZSA-N 1 2 243.310 2.171 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000063086360 385207750 /nfs/dbraw/zinc/20/77/50/385207750.db2.gz PELBSDVEMMNKIP-LBPRGKRZSA-N 1 2 243.310 2.171 20 30 BEEDLO C=C(C)C[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178253273 385215210 /nfs/dbraw/zinc/21/52/10/385215210.db2.gz WHSIDIFZPHPAPV-JTQLQIEISA-N 1 2 236.281 2.131 20 30 BEEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000157958197 385312963 /nfs/dbraw/zinc/31/29/63/385312963.db2.gz UVIFWKAATLPIGG-ZDUSSCGKSA-N 1 2 247.342 2.075 20 30 BEEDLO N#CCC[C@@H](C#N)C[N@H+]1CCOC2(CCCC2)C1 ZINC000157958197 385312967 /nfs/dbraw/zinc/31/29/67/385312967.db2.gz UVIFWKAATLPIGG-ZDUSSCGKSA-N 1 2 247.342 2.075 20 30 BEEDLO C#C[C@H](CC)Nc1cc[nH+]c(C2CC2)n1 ZINC000309223489 385271369 /nfs/dbraw/zinc/27/13/69/385271369.db2.gz VQSQLTCUHXWXNY-SNVBAGLBSA-N 1 2 201.273 2.178 20 30 BEEDLO C#C[C@@H](C)N(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491653968 385361972 /nfs/dbraw/zinc/36/19/72/385361972.db2.gz DITSTJKDJVHEOM-LLVKDONJSA-N 1 2 245.326 2.492 20 30 BEEDLO C=C[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000309093803 385405853 /nfs/dbraw/zinc/40/58/53/385405853.db2.gz BZUHXBZEALXVPO-ZETCQYMHSA-N 1 2 202.261 2.253 20 30 BEEDLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000180083051 385451311 /nfs/dbraw/zinc/45/13/11/385451311.db2.gz MSCVDKKKHQLUSX-JTQLQIEISA-N 1 2 240.310 2.441 20 30 BEEDLO Cc1nnc([C@H](C)[NH+]2CCC(C)(C#N)CC2)o1 ZINC000408159257 385577773 /nfs/dbraw/zinc/57/77/73/385577773.db2.gz OTQXDCIWSFEDBX-VIFPVBQESA-N 1 2 234.303 2.065 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)CC1(C#N)CC1 ZINC000591858139 385563770 /nfs/dbraw/zinc/56/37/70/385563770.db2.gz NSUASYIZKMRJDI-UHFFFAOYSA-N 1 2 229.283 2.331 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1c(F)cccc1F ZINC000054179012 385597377 /nfs/dbraw/zinc/59/73/77/385597377.db2.gz UKDPGUNGYAYTBX-MRVPVSSYSA-N 1 2 210.227 2.214 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000271114647 385788228 /nfs/dbraw/zinc/78/82/28/385788228.db2.gz DKAJWELTTMKRGI-SECBINFHSA-N 1 2 219.313 2.211 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000271114647 385788233 /nfs/dbraw/zinc/78/82/33/385788233.db2.gz DKAJWELTTMKRGI-SECBINFHSA-N 1 2 219.313 2.211 20 30 BEEDLO CC(C)[C@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000284199797 385855379 /nfs/dbraw/zinc/85/53/79/385855379.db2.gz YSICHZCYOIINNT-CYBMUJFWSA-N 1 2 236.315 2.012 20 30 BEEDLO CC(C)[C@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000284199797 385855388 /nfs/dbraw/zinc/85/53/88/385855388.db2.gz YSICHZCYOIINNT-CYBMUJFWSA-N 1 2 236.315 2.012 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2Cc3cccnc3C2)cc1 ZINC000569442488 385993709 /nfs/dbraw/zinc/99/37/09/385993709.db2.gz REBPUMFPBSDWAE-UHFFFAOYSA-N 1 2 235.290 2.469 20 30 BEEDLO N#Cc1ccc(C[N@H+]2Cc3cccnc3C2)cc1 ZINC000569442488 385993715 /nfs/dbraw/zinc/99/37/15/385993715.db2.gz REBPUMFPBSDWAE-UHFFFAOYSA-N 1 2 235.290 2.469 20 30 BEEDLO N#CCC[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000345289478 386090835 /nfs/dbraw/zinc/09/08/35/386090835.db2.gz DCBYZMAYOWIWQE-UHFFFAOYSA-N 1 2 247.317 2.429 20 30 BEEDLO C=C1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000334482463 386311462 /nfs/dbraw/zinc/31/14/62/386311462.db2.gz XRZZZJIGFZXDRQ-UHFFFAOYSA-N 1 2 248.301 2.416 20 30 BEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC000280844118 386353058 /nfs/dbraw/zinc/35/30/58/386353058.db2.gz XQCJMXHNMXKGIB-DGCLKSJQSA-N 1 2 233.315 2.178 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC000280844123 386356209 /nfs/dbraw/zinc/35/62/09/386356209.db2.gz XQCJMXHNMXKGIB-YPMHNXCESA-N 1 2 233.315 2.178 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1c(Cl)cnn1C ZINC000188301941 386357636 /nfs/dbraw/zinc/35/76/36/386357636.db2.gz YUNKCOZYLUKGEE-UHFFFAOYSA-N 1 2 213.712 2.081 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1c(Cl)cnn1C ZINC000188301941 386357641 /nfs/dbraw/zinc/35/76/41/386357641.db2.gz YUNKCOZYLUKGEE-UHFFFAOYSA-N 1 2 213.712 2.081 20 30 BEEDLO Cc1cc(N(C)CC2(O)CCCC2)c(C#N)c[nH+]1 ZINC000398994280 386408281 /nfs/dbraw/zinc/40/82/81/386408281.db2.gz NOESYTQTPIHOBI-UHFFFAOYSA-N 1 2 245.326 2.003 20 30 BEEDLO CCn1c[nH+]cc1CN(CC#N)C1CCCC1 ZINC000417799780 386468554 /nfs/dbraw/zinc/46/85/54/386468554.db2.gz XJGWAOBEQFPXCY-UHFFFAOYSA-N 1 2 232.331 2.171 20 30 BEEDLO Cc1[nH]c(C(=O)N[C@@H]2C=CCCC2)c[nH+]1 ZINC000328747430 386615995 /nfs/dbraw/zinc/61/59/95/386615995.db2.gz AYMWFTZVTGROMM-SECBINFHSA-N 1 2 205.261 2.131 20 30 BEEDLO CC#CC[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000124604380 386662157 /nfs/dbraw/zinc/66/21/57/386662157.db2.gz ODAGQLMGVOTADB-NSHDSACASA-N 1 2 233.315 2.257 20 30 BEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000294646732 386683646 /nfs/dbraw/zinc/68/36/46/386683646.db2.gz QWZXFXZBQYASGM-NSHDSACASA-N 1 2 247.342 2.328 20 30 BEEDLO C[N@H+](Cc1nccs1)[C@@H]1CC[C@@H](C#N)C1 ZINC000292916347 386747373 /nfs/dbraw/zinc/74/73/73/386747373.db2.gz XPANSIBIAUGXQB-NXEZZACHSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC[C@@H](C#N)C1 ZINC000292916347 386747379 /nfs/dbraw/zinc/74/73/79/386747379.db2.gz XPANSIBIAUGXQB-NXEZZACHSA-N 1 2 221.329 2.267 20 30 BEEDLO CC(C)n1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)n1 ZINC000330645363 386811786 /nfs/dbraw/zinc/81/17/86/386811786.db2.gz FAQDPGBEMLBAJQ-WCQYABFASA-N 1 2 232.331 2.246 20 30 BEEDLO C=CCCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125704453 386874807 /nfs/dbraw/zinc/87/48/07/386874807.db2.gz KDVYRRQCBMUACP-QWHCGFSZSA-N 1 2 247.342 2.259 20 30 BEEDLO CC/C=C\CNc1cc(C)[nH+]cc1C#N ZINC000399501019 386910622 /nfs/dbraw/zinc/91/06/22/386910622.db2.gz JPVVTVDZOBSSAK-PLNGDYQASA-N 1 2 201.273 2.062 20 30 BEEDLO CC#CCCCC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456423809 386929917 /nfs/dbraw/zinc/92/99/17/386929917.db2.gz PEXKUWHUBQSYCR-NWDGAFQWSA-N 1 2 245.326 2.199 20 30 BEEDLO Cc1cc(NC[C@H]2CCCCS2)c(C#N)c[nH+]1 ZINC000399594865 387032317 /nfs/dbraw/zinc/03/23/17/387032317.db2.gz QWOLLNOCAUSTAH-GFCCVEGCSA-N 1 2 247.367 2.381 20 30 BEEDLO Cc1cc(NC[C@@H]2CCCCS2)c(C#N)c[nH+]1 ZINC000399594867 387032905 /nfs/dbraw/zinc/03/29/05/387032905.db2.gz QWOLLNOCAUSTAH-LBPRGKRZSA-N 1 2 247.367 2.381 20 30 BEEDLO Cc1cc(NC[C@H](C)C(C)C)c(C#N)c[nH+]1 ZINC000399596580 387033178 /nfs/dbraw/zinc/03/31/78/387033178.db2.gz RNTXZEIPTYZKII-JTQLQIEISA-N 1 2 217.316 2.388 20 30 BEEDLO C=C(C)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000334957193 387036021 /nfs/dbraw/zinc/03/60/21/387036021.db2.gz YMMYINVLVRCCLK-UHFFFAOYSA-N 1 2 230.271 2.032 20 30 BEEDLO CC#CC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000160379373 387080479 /nfs/dbraw/zinc/08/04/79/387080479.db2.gz DCJDRTYCHFRKDW-ZFWWWQNUSA-N 1 2 229.323 2.472 20 30 BEEDLO CC#CC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000160379373 387080482 /nfs/dbraw/zinc/08/04/82/387080482.db2.gz DCJDRTYCHFRKDW-ZFWWWQNUSA-N 1 2 229.323 2.472 20 30 BEEDLO CO[C@@H]1CN(c2cc(C)[nH+]cc2C#N)CC[C@@H]1C ZINC000399423749 387092251 /nfs/dbraw/zinc/09/22/51/387092251.db2.gz CFNDWPINAYAHKO-IINYFYTJSA-N 1 2 245.326 2.123 20 30 BEEDLO CC[C@@H](C)[C@H](CNc1cc(C)[nH+]cc1C#N)OC ZINC000399466133 387123638 /nfs/dbraw/zinc/12/36/38/387123638.db2.gz RSFHFRRZUXTCIY-YGRLFVJLSA-N 1 2 247.342 2.157 20 30 BEEDLO C[C@H]1CCN(C(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000161954196 387287576 /nfs/dbraw/zinc/28/75/76/387287576.db2.gz DXWOYRAGHZUKQX-RYUDHWBXSA-N 1 2 232.331 2.068 20 30 BEEDLO C=CCCCCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000515263438 387354812 /nfs/dbraw/zinc/35/48/12/387354812.db2.gz BKGUSVSDIFSDSG-UHFFFAOYSA-N 1 2 235.331 2.088 20 30 BEEDLO CCc1nn(C)cc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000611416566 387329036 /nfs/dbraw/zinc/32/90/36/387329036.db2.gz MVFLBZKDEQZBEI-LLVKDONJSA-N 1 2 246.358 2.107 20 30 BEEDLO CCc1nn(C)cc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000611416566 387329042 /nfs/dbraw/zinc/32/90/42/387329042.db2.gz MVFLBZKDEQZBEI-LLVKDONJSA-N 1 2 246.358 2.107 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nnc(C)s1 ZINC000271480668 387444464 /nfs/dbraw/zinc/44/44/64/387444464.db2.gz XMASOTAPMDCEDO-UHFFFAOYSA-N 1 2 211.334 2.245 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nnc(C)s1 ZINC000271480668 387444469 /nfs/dbraw/zinc/44/44/69/387444469.db2.gz XMASOTAPMDCEDO-UHFFFAOYSA-N 1 2 211.334 2.245 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cc(C(=O)OC)ccc1F ZINC000272958046 387453194 /nfs/dbraw/zinc/45/31/94/387453194.db2.gz WISKCJUIKNEPOB-UHFFFAOYSA-N 1 2 249.285 2.067 20 30 BEEDLO C#CC[N@H+](CC)Cc1cc(C(=O)OC)ccc1F ZINC000272958046 387453201 /nfs/dbraw/zinc/45/32/01/387453201.db2.gz WISKCJUIKNEPOB-UHFFFAOYSA-N 1 2 249.285 2.067 20 30 BEEDLO C=CC[C@H](CO)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000273289732 387454603 /nfs/dbraw/zinc/45/46/03/387454603.db2.gz KHGYBZKNVCTDBS-LLVKDONJSA-N 1 2 247.342 2.013 20 30 BEEDLO CC#CC[N@@H+](C)Cc1csc(CC)n1 ZINC000266011083 387401556 /nfs/dbraw/zinc/40/15/56/387401556.db2.gz RVCSYFLFNJOPNZ-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO CC#CC[N@H+](C)Cc1csc(CC)n1 ZINC000266011083 387401561 /nfs/dbraw/zinc/40/15/61/387401561.db2.gz RVCSYFLFNJOPNZ-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccsc2)no1 ZINC000266924466 387404321 /nfs/dbraw/zinc/40/43/21/387404321.db2.gz MWYDJHNIUYRGAC-UHFFFAOYSA-N 1 2 247.323 2.253 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc(-c2ccsc2)no1 ZINC000266924466 387404325 /nfs/dbraw/zinc/40/43/25/387404325.db2.gz MWYDJHNIUYRGAC-UHFFFAOYSA-N 1 2 247.323 2.253 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ccn(-c2ccccc2)n1 ZINC000266928994 387408667 /nfs/dbraw/zinc/40/86/67/387408667.db2.gz NXMLCVMPSXMHFQ-UHFFFAOYSA-N 1 2 239.322 2.327 20 30 BEEDLO C#CC[N@H+](CC)Cc1ccn(-c2ccccc2)n1 ZINC000266928994 387408671 /nfs/dbraw/zinc/40/86/71/387408671.db2.gz NXMLCVMPSXMHFQ-UHFFFAOYSA-N 1 2 239.322 2.327 20 30 BEEDLO C#CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000274229086 387465768 /nfs/dbraw/zinc/46/57/68/387465768.db2.gz WHGGACXCFLLTIQ-UHFFFAOYSA-N 1 2 248.257 2.332 20 30 BEEDLO C#CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000274229086 387465774 /nfs/dbraw/zinc/46/57/74/387465774.db2.gz WHGGACXCFLLTIQ-UHFFFAOYSA-N 1 2 248.257 2.332 20 30 BEEDLO CC[N@@H+](Cc1ccnc(C)c1)C[C@@H](C)C#N ZINC000527534357 387626552 /nfs/dbraw/zinc/62/65/52/387626552.db2.gz PEJIRXWCOPCTEZ-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1ccnc(C)c1)C[C@@H](C)C#N ZINC000527534357 387626557 /nfs/dbraw/zinc/62/65/57/387626557.db2.gz PEJIRXWCOPCTEZ-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO C#Cc1ccc(C[N@@H+](C)Cc2nccn2C)cc1 ZINC000279128242 387561327 /nfs/dbraw/zinc/56/13/27/387561327.db2.gz YAFVHVOZJKNCCX-UHFFFAOYSA-N 1 2 239.322 2.033 20 30 BEEDLO C#Cc1ccc(C[N@H+](C)Cc2nccn2C)cc1 ZINC000279128242 387561331 /nfs/dbraw/zinc/56/13/31/387561331.db2.gz YAFVHVOZJKNCCX-UHFFFAOYSA-N 1 2 239.322 2.033 20 30 BEEDLO CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)OCC ZINC000424119161 387569714 /nfs/dbraw/zinc/56/97/14/387569714.db2.gz FFQGVKBCKVCFRU-TUAOUCFPSA-N 1 2 238.331 2.000 20 30 BEEDLO C=CC(C)(C)CCNc1cc[nH+]c(C)n1 ZINC000528073101 387842076 /nfs/dbraw/zinc/84/20/76/387842076.db2.gz AVBROGDIYATYGH-UHFFFAOYSA-N 1 2 205.305 2.221 20 30 BEEDLO C=CC[N@@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442836392 387847788 /nfs/dbraw/zinc/84/77/88/387847788.db2.gz HLJVWZOKYMHHOX-UHFFFAOYSA-N 1 2 219.210 2.046 20 30 BEEDLO C=CC[N@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442836392 387847792 /nfs/dbraw/zinc/84/77/92/387847792.db2.gz HLJVWZOKYMHHOX-UHFFFAOYSA-N 1 2 219.210 2.046 20 30 BEEDLO C=C(C)C[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000172420226 387871894 /nfs/dbraw/zinc/87/18/94/387871894.db2.gz MGTFMJZWAKYUEQ-CYBMUJFWSA-N 1 2 233.311 2.409 20 30 BEEDLO C=C(C)C[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000172420226 387871899 /nfs/dbraw/zinc/87/18/99/387871899.db2.gz MGTFMJZWAKYUEQ-CYBMUJFWSA-N 1 2 233.311 2.409 20 30 BEEDLO C#CC[NH+](CC#C)Cc1nc2ccccc2nc1C ZINC000174529309 387903178 /nfs/dbraw/zinc/90/31/78/387903178.db2.gz MULRGSXVTLUZSZ-UHFFFAOYSA-N 1 2 249.317 2.007 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444678849 387907140 /nfs/dbraw/zinc/90/71/40/387907140.db2.gz KPOPOHHGINVIOA-UHFFFAOYSA-N 1 2 246.270 2.089 20 30 BEEDLO C=CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444678849 387907145 /nfs/dbraw/zinc/90/71/45/387907145.db2.gz KPOPOHHGINVIOA-UHFFFAOYSA-N 1 2 246.270 2.089 20 30 BEEDLO C=CCC1(C(=O)N2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000646260297 388171392 /nfs/dbraw/zinc/17/13/92/388171392.db2.gz GELSTRZBSNWKLH-UHFFFAOYSA-N 1 2 245.326 2.041 20 30 BEEDLO C=CCC1(C(=O)N2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000646260297 388171394 /nfs/dbraw/zinc/17/13/94/388171394.db2.gz GELSTRZBSNWKLH-UHFFFAOYSA-N 1 2 245.326 2.041 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc2cccnc2o1 ZINC000449014201 388130207 /nfs/dbraw/zinc/13/02/07/388130207.db2.gz HDGYWWHWSWWIRP-JTQLQIEISA-N 1 2 229.283 2.419 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc2cccnc2o1 ZINC000449014201 388130210 /nfs/dbraw/zinc/13/02/10/388130210.db2.gz HDGYWWHWSWWIRP-JTQLQIEISA-N 1 2 229.283 2.419 20 30 BEEDLO COc1cccc(C[NH2+]C[C@@H](C)C#N)c1F ZINC000192972495 388134717 /nfs/dbraw/zinc/13/47/17/388134717.db2.gz HWPNNXVRUMDNMS-VIFPVBQESA-N 1 2 222.263 2.084 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nnc(-c2ccccc2)o1 ZINC000490742949 388252520 /nfs/dbraw/zinc/25/25/20/388252520.db2.gz ZOBJJAAHWXGZAW-UHFFFAOYSA-N 1 2 241.294 2.192 20 30 BEEDLO C#CC[N@H+](CC)Cc1nnc(-c2ccccc2)o1 ZINC000490742949 388252522 /nfs/dbraw/zinc/25/25/22/388252522.db2.gz ZOBJJAAHWXGZAW-UHFFFAOYSA-N 1 2 241.294 2.192 20 30 BEEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000490778762 388253590 /nfs/dbraw/zinc/25/35/90/388253590.db2.gz KRCDQILRFHPGKP-JTQLQIEISA-N 1 2 235.331 2.383 20 30 BEEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000490778762 388253592 /nfs/dbraw/zinc/25/35/92/388253592.db2.gz KRCDQILRFHPGKP-JTQLQIEISA-N 1 2 235.331 2.383 20 30 BEEDLO CCn1nccc1C[N@H+](C)CC1(C#N)CCC1 ZINC000450870375 388259899 /nfs/dbraw/zinc/25/98/99/388259899.db2.gz LPUOPVJAFCCBRB-UHFFFAOYSA-N 1 2 232.331 2.029 20 30 BEEDLO CCn1nccc1C[N@@H+](C)CC1(C#N)CCC1 ZINC000450870375 388259902 /nfs/dbraw/zinc/25/99/02/388259902.db2.gz LPUOPVJAFCCBRB-UHFFFAOYSA-N 1 2 232.331 2.029 20 30 BEEDLO C#C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(F)cc1 ZINC000491278345 388282151 /nfs/dbraw/zinc/28/21/51/388282151.db2.gz SRYCVXUDRGUEIC-ZDUSSCGKSA-N 1 2 229.258 2.013 20 30 BEEDLO C#CC[N@@H+](Cc1ncnn1CC)C1CCCCC1 ZINC000491362223 388288046 /nfs/dbraw/zinc/28/80/46/388288046.db2.gz QCIVQVCWBXRLDM-UHFFFAOYSA-N 1 2 246.358 2.066 20 30 BEEDLO C#CC[N@H+](Cc1ncnn1CC)C1CCCCC1 ZINC000491362223 388288048 /nfs/dbraw/zinc/28/80/48/388288048.db2.gz QCIVQVCWBXRLDM-UHFFFAOYSA-N 1 2 246.358 2.066 20 30 BEEDLO C[C@@H](O)C[N@H+](CCCC(C)(C)C#N)CC(F)F ZINC000451828302 388299101 /nfs/dbraw/zinc/29/91/01/388299101.db2.gz FJYCWGDVUYZVKR-SNVBAGLBSA-N 1 2 248.317 2.264 20 30 BEEDLO C[C@@H](O)C[N@@H+](CCCC(C)(C)C#N)CC(F)F ZINC000451828302 388299103 /nfs/dbraw/zinc/29/91/03/388299103.db2.gz FJYCWGDVUYZVKR-SNVBAGLBSA-N 1 2 248.317 2.264 20 30 BEEDLO C#CC[N@H+](Cc1nc2ccccc2[nH]1)C1CC1 ZINC000491542816 388302519 /nfs/dbraw/zinc/30/25/19/388302519.db2.gz CHOZZJKZWSPRAE-UHFFFAOYSA-N 1 2 225.295 2.161 20 30 BEEDLO C#CC[N@@H+](Cc1nc2ccccc2[nH]1)C1CC1 ZINC000491542816 388302520 /nfs/dbraw/zinc/30/25/20/388302520.db2.gz CHOZZJKZWSPRAE-UHFFFAOYSA-N 1 2 225.295 2.161 20 30 BEEDLO C#CCN(Cc1[nH]cc[nH+]1)Cc1ccccc1 ZINC000491547025 388303084 /nfs/dbraw/zinc/30/30/84/388303084.db2.gz YCPPQXYRVBRCAB-UHFFFAOYSA-N 1 2 225.295 2.045 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000491619430 388305257 /nfs/dbraw/zinc/30/52/57/388305257.db2.gz FFCICQRYPVKWFL-SECBINFHSA-N 1 2 236.246 2.187 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000491619430 388305258 /nfs/dbraw/zinc/30/52/58/388305258.db2.gz FFCICQRYPVKWFL-SECBINFHSA-N 1 2 236.246 2.187 20 30 BEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000491643843 388307502 /nfs/dbraw/zinc/30/75/02/388307502.db2.gz HVYHJCOJYRJZQM-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000491643843 388307503 /nfs/dbraw/zinc/30/75/03/388307503.db2.gz HVYHJCOJYRJZQM-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CCCc1ccsc1 ZINC000491647584 388307752 /nfs/dbraw/zinc/30/77/52/388307752.db2.gz YIAJMKUBNBDWCY-CYBMUJFWSA-N 1 2 235.352 2.015 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CCCc1ccsc1 ZINC000491647584 388307753 /nfs/dbraw/zinc/30/77/53/388307753.db2.gz YIAJMKUBNBDWCY-CYBMUJFWSA-N 1 2 235.352 2.015 20 30 BEEDLO C#C[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000491671956 388309894 /nfs/dbraw/zinc/30/98/94/388309894.db2.gz GGZCHNDSTNJZNS-NSHDSACASA-N 1 2 217.316 2.366 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cccc(F)c1F ZINC000491676764 388310148 /nfs/dbraw/zinc/31/01/48/388310148.db2.gz PEDGRIXJVSGRQQ-SECBINFHSA-N 1 2 209.239 2.418 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cccc(F)c1F ZINC000491676764 388310149 /nfs/dbraw/zinc/31/01/49/388310149.db2.gz PEDGRIXJVSGRQQ-SECBINFHSA-N 1 2 209.239 2.418 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000491694893 388311813 /nfs/dbraw/zinc/31/18/13/388311813.db2.gz LWXSKXXKNSATBY-JTQLQIEISA-N 1 2 216.259 2.151 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000491694893 388311814 /nfs/dbraw/zinc/31/18/14/388311814.db2.gz LWXSKXXKNSATBY-JTQLQIEISA-N 1 2 216.259 2.151 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000491735145 388316132 /nfs/dbraw/zinc/31/61/32/388316132.db2.gz CKGZNNFWYFVXPM-NSHDSACASA-N 1 2 241.294 2.190 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000491735145 388316133 /nfs/dbraw/zinc/31/61/33/388316133.db2.gz CKGZNNFWYFVXPM-NSHDSACASA-N 1 2 241.294 2.190 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000491772420 388319291 /nfs/dbraw/zinc/31/92/91/388319291.db2.gz TYIPIFSSYADYCA-SECBINFHSA-N 1 2 204.273 2.006 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000491772420 388319292 /nfs/dbraw/zinc/31/92/92/388319292.db2.gz TYIPIFSSYADYCA-SECBINFHSA-N 1 2 204.273 2.006 20 30 BEEDLO C#CC[N@H+](Cc1ccno1)Cc1ccccc1 ZINC000491181583 388275290 /nfs/dbraw/zinc/27/52/90/388275290.db2.gz UKNQHHXNWKSQLA-UHFFFAOYSA-N 1 2 226.279 2.310 20 30 BEEDLO C#CC[N@@H+](Cc1ccno1)Cc1ccccc1 ZINC000491181583 388275291 /nfs/dbraw/zinc/27/52/91/388275291.db2.gz UKNQHHXNWKSQLA-UHFFFAOYSA-N 1 2 226.279 2.310 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C)CO1 ZINC000229748335 388397123 /nfs/dbraw/zinc/39/71/23/388397123.db2.gz XESKHYRKDKXUHI-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C)CO1 ZINC000229748335 388397124 /nfs/dbraw/zinc/39/71/24/388397124.db2.gz XESKHYRKDKXUHI-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO Cc1cc(N(C)Cc2ccc(C#N)cc2)nc[nH+]1 ZINC000301239061 388610004 /nfs/dbraw/zinc/61/00/04/388610004.db2.gz LOMQOBFSYPXPNY-UHFFFAOYSA-N 1 2 238.294 2.293 20 30 BEEDLO CO[C@H](C[N@@H+]1Cc2cccc(C#N)c2C1)C1CC1 ZINC000405105728 388638001 /nfs/dbraw/zinc/63/80/01/388638001.db2.gz KLRJFNDDRQNSPH-OAHLLOKOSA-N 1 2 242.322 2.299 20 30 BEEDLO CO[C@H](C[N@H+]1Cc2cccc(C#N)c2C1)C1CC1 ZINC000405105728 388638003 /nfs/dbraw/zinc/63/80/03/388638003.db2.gz KLRJFNDDRQNSPH-OAHLLOKOSA-N 1 2 242.322 2.299 20 30 BEEDLO C[C@@H]([NH2+]Cc1ncccn1)c1cccc(C#N)c1 ZINC000515269361 388648589 /nfs/dbraw/zinc/64/85/89/388648589.db2.gz JBKCKCZKXZTVDB-LLVKDONJSA-N 1 2 238.294 2.199 20 30 BEEDLO C[C@H]([NH2+]Cc1ncccn1)c1cccc(C#N)c1 ZINC000515269362 388648650 /nfs/dbraw/zinc/64/86/50/388648650.db2.gz JBKCKCZKXZTVDB-NSHDSACASA-N 1 2 238.294 2.199 20 30 BEEDLO C[C@@H](CCc1ccccc1)[N@H+](C)CC#N ZINC000194970466 388747932 /nfs/dbraw/zinc/74/79/32/388747932.db2.gz AGUHPPRLVSBIAD-LBPRGKRZSA-N 1 2 202.301 2.463 20 30 BEEDLO C[C@@H](CCc1ccccc1)[N@@H+](C)CC#N ZINC000194970466 388747936 /nfs/dbraw/zinc/74/79/36/388747936.db2.gz AGUHPPRLVSBIAD-LBPRGKRZSA-N 1 2 202.301 2.463 20 30 BEEDLO COCCC1(C)CN(c2cc(C)[nH+]cc2C#N)C1 ZINC000425268656 388702476 /nfs/dbraw/zinc/70/24/76/388702476.db2.gz PMAJPGGKZZIPRJ-UHFFFAOYSA-N 1 2 245.326 2.125 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(C#N)s1 ZINC000127660013 388728513 /nfs/dbraw/zinc/72/85/13/388728513.db2.gz ZQUJRRFTMGJQTC-UHFFFAOYSA-N 1 2 219.313 2.355 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(C#N)s1 ZINC000127660013 388728515 /nfs/dbraw/zinc/72/85/15/388728515.db2.gz ZQUJRRFTMGJQTC-UHFFFAOYSA-N 1 2 219.313 2.355 20 30 BEEDLO CCN(CCC#N)Cc1c[nH+]c2cc(C)ccn12 ZINC000127620801 388729082 /nfs/dbraw/zinc/72/90/82/388729082.db2.gz KQHIFIUNHVTBDO-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccnc1C ZINC000127669556 388729950 /nfs/dbraw/zinc/72/99/50/388729950.db2.gz OMBIZNGJHRYBFW-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccnc1C ZINC000127669556 388729954 /nfs/dbraw/zinc/72/99/54/388729954.db2.gz OMBIZNGJHRYBFW-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO C=CCN(C(=O)Nc1cc(C)[nH+]cc1C)C1CC1 ZINC000540083438 388795288 /nfs/dbraw/zinc/79/52/88/388795288.db2.gz PBRYGUXCELBXGJ-UHFFFAOYSA-N 1 2 245.326 2.303 20 30 BEEDLO C[N@H+](Cc1cccc(O)c1)CC1(C#N)CC1 ZINC000540550254 388809579 /nfs/dbraw/zinc/80/95/79/388809579.db2.gz UFBIFQYXVVLSAH-UHFFFAOYSA-N 1 2 216.284 2.128 20 30 BEEDLO C[N@@H+](Cc1cccc(O)c1)CC1(C#N)CC1 ZINC000540550254 388809581 /nfs/dbraw/zinc/80/95/81/388809581.db2.gz UFBIFQYXVVLSAH-UHFFFAOYSA-N 1 2 216.284 2.128 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000156134603 388790294 /nfs/dbraw/zinc/79/02/94/388790294.db2.gz ITBVALCRUZKNOW-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000156134603 388790297 /nfs/dbraw/zinc/79/02/97/388790297.db2.gz ITBVALCRUZKNOW-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000540952224 388829796 /nfs/dbraw/zinc/82/97/96/388829796.db2.gz ZOMUDEPNGMSGTR-UHFFFAOYSA-N 1 2 246.314 2.073 20 30 BEEDLO C[C@H]([NH2+]Cc1ccn[nH]1)c1ccc(C#N)cc1 ZINC000037508478 388885918 /nfs/dbraw/zinc/88/59/18/388885918.db2.gz XOHPNNMMKUHIJC-JTQLQIEISA-N 1 2 226.283 2.132 20 30 BEEDLO C#CC[N@H+](CC)Cc1cnc(Cl)s1 ZINC000267479257 389000666 /nfs/dbraw/zinc/00/06/66/389000666.db2.gz GLPSBJXDOAPEIV-UHFFFAOYSA-N 1 2 214.721 2.252 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cnc(Cl)s1 ZINC000267479257 389000662 /nfs/dbraw/zinc/00/06/62/389000662.db2.gz GLPSBJXDOAPEIV-UHFFFAOYSA-N 1 2 214.721 2.252 20 30 BEEDLO Cc1cnccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000565815405 388971443 /nfs/dbraw/zinc/97/14/43/388971443.db2.gz BCKJGSCWHPJFPP-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1cnccc1C[N@H+](C)[C@@H](C)CC#N ZINC000565815405 388971446 /nfs/dbraw/zinc/97/14/46/388971446.db2.gz BCKJGSCWHPJFPP-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO C[C@@H](CCCC#N)[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001172494768 974844664 /nfs/dbraw/zinc/84/46/64/974844664.db2.gz XXDBWTFEOCLKOV-QWRGUYRKSA-N 1 2 226.295 2.072 20 30 BEEDLO C[C@@H](CCCC#N)[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001172494768 974844666 /nfs/dbraw/zinc/84/46/66/974844666.db2.gz XXDBWTFEOCLKOV-QWRGUYRKSA-N 1 2 226.295 2.072 20 30 BEEDLO C=C(C)CN(CC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000346150821 533497687 /nfs/dbraw/zinc/49/76/87/533497687.db2.gz NMYLOXFODABYCS-UHFFFAOYSA-N 1 2 235.331 2.112 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)C/C=C\c1ccncc1 ZINC000494997414 533599529 /nfs/dbraw/zinc/59/95/29/533599529.db2.gz PGVQQNNCHSROTQ-VSQXVHSFSA-N 1 2 215.300 2.329 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)C/C=C\c1ccncc1 ZINC000494997414 533599539 /nfs/dbraw/zinc/59/95/39/533599539.db2.gz PGVQQNNCHSROTQ-VSQXVHSFSA-N 1 2 215.300 2.329 20 30 BEEDLO CCc1ccc(N2CC[NH+](CCC#N)CC2)cc1 ZINC000049831512 132358446 /nfs/dbraw/zinc/35/84/46/132358446.db2.gz FCBQQQHFSXDHQO-UHFFFAOYSA-N 1 2 243.354 2.285 20 30 BEEDLO Cc1cc(C[N@@H+]2CCC(=O)[C@@H](C)C2)ccc1C#N ZINC000335926536 134009059 /nfs/dbraw/zinc/00/90/59/134009059.db2.gz JIZLAZZPRRHPCQ-LBPRGKRZSA-N 1 2 242.322 2.278 20 30 BEEDLO Cc1cc(C[N@H+]2CCC(=O)[C@@H](C)C2)ccc1C#N ZINC000335926536 134009060 /nfs/dbraw/zinc/00/90/60/134009060.db2.gz JIZLAZZPRRHPCQ-LBPRGKRZSA-N 1 2 242.322 2.278 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000336096003 134080062 /nfs/dbraw/zinc/08/00/62/134080062.db2.gz WPIVYNUHHCKORV-ZDUSSCGKSA-N 1 2 245.326 2.384 20 30 BEEDLO N#CCC[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000336229983 134139950 /nfs/dbraw/zinc/13/99/50/134139950.db2.gz XCUMPDLNEIWPMM-UHFFFAOYSA-N 1 2 247.317 2.251 20 30 BEEDLO N#CCC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000336229983 134139951 /nfs/dbraw/zinc/13/99/51/134139951.db2.gz XCUMPDLNEIWPMM-UHFFFAOYSA-N 1 2 247.317 2.251 20 30 BEEDLO CC[C@](C)(C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000336278606 134141991 /nfs/dbraw/zinc/14/19/91/134141991.db2.gz VRIWJFYRQJXIFN-CYBMUJFWSA-N 1 2 242.282 2.213 20 30 BEEDLO C=C(C)CN(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000302056366 134157050 /nfs/dbraw/zinc/15/70/50/134157050.db2.gz QQVKDUUGQFFRNW-UHFFFAOYSA-N 1 2 246.358 2.479 20 30 BEEDLO C=C(C)CN(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000302056366 134157051 /nfs/dbraw/zinc/15/70/51/134157051.db2.gz QQVKDUUGQFFRNW-UHFFFAOYSA-N 1 2 246.358 2.479 20 30 BEEDLO C[N@H+](Cc1cccc(O)c1)CC(C)(C)C#N ZINC000354017575 134166043 /nfs/dbraw/zinc/16/60/43/134166043.db2.gz LDLBTMUTQZWWLZ-UHFFFAOYSA-N 1 2 218.300 2.374 20 30 BEEDLO C[N@@H+](Cc1cccc(O)c1)CC(C)(C)C#N ZINC000354017575 134166044 /nfs/dbraw/zinc/16/60/44/134166044.db2.gz LDLBTMUTQZWWLZ-UHFFFAOYSA-N 1 2 218.300 2.374 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@@H+](C)CC(C)(C)C#N ZINC000354016669 134166314 /nfs/dbraw/zinc/16/63/14/134166314.db2.gz BOGMVIXMUSOANS-UHFFFAOYSA-N 1 2 220.320 2.008 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@H+](C)CC(C)(C)C#N ZINC000354016669 134166315 /nfs/dbraw/zinc/16/63/15/134166315.db2.gz BOGMVIXMUSOANS-UHFFFAOYSA-N 1 2 220.320 2.008 20 30 BEEDLO C=CCCC1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000354588873 134169014 /nfs/dbraw/zinc/16/90/14/134169014.db2.gz XQCQXRIBJJNXKN-GFCCVEGCSA-N 1 2 247.342 2.134 20 30 BEEDLO C#CC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000367219167 134176553 /nfs/dbraw/zinc/17/65/53/134176553.db2.gz MEBDOAZSYKHQCG-ZDUSSCGKSA-N 1 2 203.260 2.190 20 30 BEEDLO C#CC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000367219167 134176554 /nfs/dbraw/zinc/17/65/54/134176554.db2.gz MEBDOAZSYKHQCG-ZDUSSCGKSA-N 1 2 203.260 2.190 20 30 BEEDLO CCC[N@H+](CC#N)C[C@@H]1CCO[C@@H](CC)C1 ZINC000357000963 134181653 /nfs/dbraw/zinc/18/16/53/134181653.db2.gz XEXBOCVATDHBCH-OLZOCXBDSA-N 1 2 224.348 2.427 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@@H]1CCO[C@@H](CC)C1 ZINC000357000963 134181654 /nfs/dbraw/zinc/18/16/54/134181654.db2.gz XEXBOCVATDHBCH-OLZOCXBDSA-N 1 2 224.348 2.427 20 30 BEEDLO C=CCNC(=O)[C@H](C)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361605418 134206736 /nfs/dbraw/zinc/20/67/36/134206736.db2.gz YOTJIJMKSABEKB-LBPRGKRZSA-N 1 2 244.338 2.001 20 30 BEEDLO C=CCNC(=O)[C@H](C)[N@H+]1Cc2ccc(C)cc2C1 ZINC000361605418 134206737 /nfs/dbraw/zinc/20/67/37/134206737.db2.gz YOTJIJMKSABEKB-LBPRGKRZSA-N 1 2 244.338 2.001 20 30 BEEDLO CC(C)CCC[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370476397 134226061 /nfs/dbraw/zinc/22/60/61/134226061.db2.gz MMMOGOCJBWBQMA-AWEZNQCLSA-N 1 2 235.375 2.095 20 30 BEEDLO CC(C)CCC[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000370476397 134226062 /nfs/dbraw/zinc/22/60/62/134226062.db2.gz MMMOGOCJBWBQMA-AWEZNQCLSA-N 1 2 235.375 2.095 20 30 BEEDLO N#CCC[NH+]1CC(Cc2ccc(F)c(F)c2)C1 ZINC000371208224 134228072 /nfs/dbraw/zinc/22/80/72/134228072.db2.gz NVUFHMQHJQQTCD-UHFFFAOYSA-N 1 2 236.265 2.353 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000120244390 134228765 /nfs/dbraw/zinc/22/87/65/134228765.db2.gz IFBRQGFYILYKJW-UHFFFAOYSA-N 1 2 244.298 2.140 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000120244390 134228766 /nfs/dbraw/zinc/22/87/66/134228766.db2.gz IFBRQGFYILYKJW-UHFFFAOYSA-N 1 2 244.298 2.140 20 30 BEEDLO C[N@H+](CC#N)C[C@H]1CCCC(F)(F)C1 ZINC000300938447 134229526 /nfs/dbraw/zinc/22/95/26/134229526.db2.gz MYRDFCRJGITXCS-VIFPVBQESA-N 1 2 202.248 2.267 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000373348750 134234132 /nfs/dbraw/zinc/23/41/32/134234132.db2.gz PEWVUFBPBUILOJ-LLVKDONJSA-N 1 2 247.342 2.136 20 30 BEEDLO Cc1cn2c(n1)C[N@@H+](CC(C)(C)CCC#N)CC2 ZINC000374697226 134237767 /nfs/dbraw/zinc/23/77/67/134237767.db2.gz FOOCYIIDDGTAHX-UHFFFAOYSA-N 1 2 246.358 2.337 20 30 BEEDLO Cc1cn2c(n1)C[N@H+](CC(C)(C)CCC#N)CC2 ZINC000374697226 134237768 /nfs/dbraw/zinc/23/77/68/134237768.db2.gz FOOCYIIDDGTAHX-UHFFFAOYSA-N 1 2 246.358 2.337 20 30 BEEDLO CC[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](C)C#N ZINC000179818221 134324366 /nfs/dbraw/zinc/32/43/66/134324366.db2.gz DYQPNDKFCHVJDW-GFCCVEGCSA-N 1 2 234.347 2.446 20 30 BEEDLO CC[N@H+](Cc1cnn(C(C)C)c1)C[C@H](C)C#N ZINC000179818221 134324367 /nfs/dbraw/zinc/32/43/67/134324367.db2.gz DYQPNDKFCHVJDW-GFCCVEGCSA-N 1 2 234.347 2.446 20 30 BEEDLO C=C(C)C[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC000181630790 134338385 /nfs/dbraw/zinc/33/83/85/134338385.db2.gz BROITGCFWPTBCW-WDEREUQCSA-N 1 2 213.321 2.130 20 30 BEEDLO CC1(C)COCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223526247 134340514 /nfs/dbraw/zinc/34/05/14/134340514.db2.gz WAMZCEYADKPHSY-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO CC1(C)COCC[N@H+]1Cc1cccc(C#N)c1F ZINC000223526247 134340515 /nfs/dbraw/zinc/34/05/15/134340515.db2.gz WAMZCEYADKPHSY-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccnc(Cl)c1 ZINC000052709788 134385144 /nfs/dbraw/zinc/38/51/44/134385144.db2.gz NIKRLTWJKDORNC-UHFFFAOYSA-N 1 2 223.707 2.471 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccnc(Cl)c1 ZINC000052709788 134385146 /nfs/dbraw/zinc/38/51/46/134385146.db2.gz NIKRLTWJKDORNC-UHFFFAOYSA-N 1 2 223.707 2.471 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000068607772 134398760 /nfs/dbraw/zinc/39/87/60/134398760.db2.gz IQGJUWPNLAPUIR-NWDGAFQWSA-N 1 2 246.310 2.060 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000068607772 134398761 /nfs/dbraw/zinc/39/87/61/134398761.db2.gz IQGJUWPNLAPUIR-NWDGAFQWSA-N 1 2 246.310 2.060 20 30 BEEDLO Cc1[nH+]cccc1NCc1cc(C#N)n(C)c1 ZINC000189595669 134548375 /nfs/dbraw/zinc/54/83/75/134548375.db2.gz UGBXPOVVUMFDAM-UHFFFAOYSA-N 1 2 226.283 2.212 20 30 BEEDLO N#C[C@H]1CCC[C@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000335073623 134845683 /nfs/dbraw/zinc/84/56/83/134845683.db2.gz SNZJBFCVQHKSRP-IUCAKERBSA-N 1 2 214.259 2.456 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229749276 135016965 /nfs/dbraw/zinc/01/69/65/135016965.db2.gz VAPDIVSGZZETMI-JTQLQIEISA-N 1 2 231.274 2.289 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229749276 135016968 /nfs/dbraw/zinc/01/69/68/135016968.db2.gz VAPDIVSGZZETMI-JTQLQIEISA-N 1 2 231.274 2.289 20 30 BEEDLO C=CCOCC[N@H+]1CCCC[C@H]1C(F)F ZINC000339153600 135062719 /nfs/dbraw/zinc/06/27/19/135062719.db2.gz BFTDPJVIFDDLJO-JTQLQIEISA-N 1 2 219.275 2.309 20 30 BEEDLO C=CCOCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000339153600 135062720 /nfs/dbraw/zinc/06/27/20/135062720.db2.gz BFTDPJVIFDDLJO-JTQLQIEISA-N 1 2 219.275 2.309 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000259831350 135104981 /nfs/dbraw/zinc/10/49/81/135104981.db2.gz DWPYECFUNDXNGZ-WDEREUQCSA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000259831350 135104982 /nfs/dbraw/zinc/10/49/82/135104982.db2.gz DWPYECFUNDXNGZ-WDEREUQCSA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264565701 135139009 /nfs/dbraw/zinc/13/90/09/135139009.db2.gz PSMRJRBAGPCJBK-GFCCVEGCSA-N 1 2 243.310 2.180 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264565701 135139011 /nfs/dbraw/zinc/13/90/11/135139011.db2.gz PSMRJRBAGPCJBK-GFCCVEGCSA-N 1 2 243.310 2.180 20 30 BEEDLO N#CC[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000264683252 135139598 /nfs/dbraw/zinc/13/95/98/135139598.db2.gz BGYDCWOXOFEHQO-UHFFFAOYSA-N 1 2 244.338 2.439 20 30 BEEDLO N#CC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000264683252 135139599 /nfs/dbraw/zinc/13/95/99/135139599.db2.gz BGYDCWOXOFEHQO-UHFFFAOYSA-N 1 2 244.338 2.439 20 30 BEEDLO CC(C)CC[N@H+](CCC#N)Cc1ccno1 ZINC000266767361 135149205 /nfs/dbraw/zinc/14/92/05/135149205.db2.gz VMTRYHVDPPSHJK-UHFFFAOYSA-N 1 2 221.304 2.436 20 30 BEEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccno1 ZINC000266767361 135149207 /nfs/dbraw/zinc/14/92/07/135149207.db2.gz VMTRYHVDPPSHJK-UHFFFAOYSA-N 1 2 221.304 2.436 20 30 BEEDLO CCOC(=O)C[N@H+](CCC(C)(C)C#N)C(C)C ZINC000087594734 135158582 /nfs/dbraw/zinc/15/85/82/135158582.db2.gz VFVDYBHWUTVKRZ-UHFFFAOYSA-N 1 2 240.347 2.200 20 30 BEEDLO CCOC(=O)C[N@@H+](CCC(C)(C)C#N)C(C)C ZINC000087594734 135158584 /nfs/dbraw/zinc/15/85/84/135158584.db2.gz VFVDYBHWUTVKRZ-UHFFFAOYSA-N 1 2 240.347 2.200 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)c1ccccc1F ZINC000268289288 135158635 /nfs/dbraw/zinc/15/86/35/135158635.db2.gz IPBJERKGFVMHDG-GXFFZTMASA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)c1ccccc1F ZINC000268289288 135158637 /nfs/dbraw/zinc/15/86/37/135158637.db2.gz IPBJERKGFVMHDG-GXFFZTMASA-N 1 2 236.290 2.093 20 30 BEEDLO CC(=O)c1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000297229943 135195182 /nfs/dbraw/zinc/19/51/82/135195182.db2.gz UAWCUVKXXUBTDV-LLVKDONJSA-N 1 2 230.311 2.481 20 30 BEEDLO CC(=O)c1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000297229943 135195184 /nfs/dbraw/zinc/19/51/84/135195184.db2.gz UAWCUVKXXUBTDV-LLVKDONJSA-N 1 2 230.311 2.481 20 30 BEEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)c(OC)c1 ZINC000298681383 135200276 /nfs/dbraw/zinc/20/02/76/135200276.db2.gz OIZZAZDCGVKQFK-LLVKDONJSA-N 1 2 248.326 2.295 20 30 BEEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)c(OC)c1 ZINC000298681383 135200278 /nfs/dbraw/zinc/20/02/78/135200278.db2.gz OIZZAZDCGVKQFK-LLVKDONJSA-N 1 2 248.326 2.295 20 30 BEEDLO N#CCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000298723101 135200282 /nfs/dbraw/zinc/20/02/82/135200282.db2.gz PLPAGDYHHFKRCG-AWEZNQCLSA-N 1 2 230.311 2.364 20 30 BEEDLO N#CCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000298723101 135200284 /nfs/dbraw/zinc/20/02/84/135200284.db2.gz PLPAGDYHHFKRCG-AWEZNQCLSA-N 1 2 230.311 2.364 20 30 BEEDLO CC[C@](C)([NH2+]CCC#N)c1nccs1 ZINC000298747862 135200390 /nfs/dbraw/zinc/20/03/90/135200390.db2.gz WIWFCXJGYLAWKG-JTQLQIEISA-N 1 2 209.318 2.272 20 30 BEEDLO COc1ccc(OC)c(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000299158351 135202292 /nfs/dbraw/zinc/20/22/92/135202292.db2.gz JWRITFYRZBCNFY-LLVKDONJSA-N 1 2 248.326 2.295 20 30 BEEDLO COc1ccc(OC)c(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000299158351 135202294 /nfs/dbraw/zinc/20/22/94/135202294.db2.gz JWRITFYRZBCNFY-LLVKDONJSA-N 1 2 248.326 2.295 20 30 BEEDLO N#CC1(CCCOCc2[nH]cc[nH+]2)CCOCC1 ZINC000341346461 135236461 /nfs/dbraw/zinc/23/64/61/135236461.db2.gz VAKDJJVIAIHSKG-UHFFFAOYSA-N 1 2 249.314 2.027 20 30 BEEDLO CC#CCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000342300780 135257535 /nfs/dbraw/zinc/25/75/35/135257535.db2.gz MYOGDGJZXVWFMH-UHFFFAOYSA-N 1 2 241.294 2.466 20 30 BEEDLO Cc1c[nH+]c(CN(CCC#N)CC(C)(C)C)n1C ZINC000342798785 135321079 /nfs/dbraw/zinc/32/10/79/135321079.db2.gz LSWYRYKPYYEBRD-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO C=C1CC[NH+](Cc2ncc(COC)s2)CC1 ZINC000342939944 135337447 /nfs/dbraw/zinc/33/74/47/135337447.db2.gz QUBZWCGKYUMDTF-UHFFFAOYSA-N 1 2 238.356 2.442 20 30 BEEDLO Cc1cccc(CCNc2cc(C#N)ccn2)[nH+]1 ZINC000343055860 135345850 /nfs/dbraw/zinc/34/58/50/135345850.db2.gz UMEUNPWTQISANI-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO N#CCCCNc1cc[nH+]c(C2CC2)n1 ZINC000273278231 135366210 /nfs/dbraw/zinc/36/62/10/135366210.db2.gz CXJUHMNUPWQPAJ-UHFFFAOYSA-N 1 2 202.261 2.070 20 30 BEEDLO CCc1cc(N)nc(S[C@@H](C)CCC#N)[nH+]1 ZINC000279037088 135369142 /nfs/dbraw/zinc/36/91/42/135369142.db2.gz FOFFNDJZPUXRLE-QMMMGPOBSA-N 1 2 236.344 2.406 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](C)c1nnc(C)s1 ZINC000299316182 135380084 /nfs/dbraw/zinc/38/00/84/135380084.db2.gz NQLDKEFQCFRWID-ZCFIWIBFSA-N 1 2 217.725 2.250 20 30 BEEDLO N#Cc1ccc(C(F)(F)F)nc1-n1cc[nH+]c1 ZINC000078832993 135396048 /nfs/dbraw/zinc/39/60/48/135396048.db2.gz UKGIXQGQGKHTSG-UHFFFAOYSA-N 1 2 238.172 2.158 20 30 BEEDLO CC[C@H]1C[C@@H](C[NH+]2CC(C)(C#N)C2)CCO1 ZINC000335358385 136074898 /nfs/dbraw/zinc/07/48/98/136074898.db2.gz OTNQHXNVBJUOLH-RYUDHWBXSA-N 1 2 222.332 2.037 20 30 BEEDLO Cc1cc(N[C@@H]2CCC[C@@H](F)C2)c(C#N)c[nH+]1 ZINC000335379755 136086887 /nfs/dbraw/zinc/08/68/87/136086887.db2.gz MNLWFGWPCNZUQI-VXGBXAGGSA-N 1 2 233.290 2.376 20 30 BEEDLO CC#CCN(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000335588398 136102616 /nfs/dbraw/zinc/10/26/16/136102616.db2.gz CTBLJJWQEOFICF-UHFFFAOYSA-N 1 2 245.326 2.494 20 30 BEEDLO C=CC[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000051961439 397736193 /nfs/dbraw/zinc/73/61/93/397736193.db2.gz XEWZLLZIHLXUCV-UHFFFAOYSA-N 1 2 211.305 2.028 20 30 BEEDLO C=CC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187029803 397930990 /nfs/dbraw/zinc/93/09/90/397930990.db2.gz RZWQVTDLBOWHRD-SECBINFHSA-N 1 2 226.370 2.419 20 30 BEEDLO C=CC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187029803 397930993 /nfs/dbraw/zinc/93/09/93/397930993.db2.gz RZWQVTDLBOWHRD-SECBINFHSA-N 1 2 226.370 2.419 20 30 BEEDLO C=CC[N@H+](Cc1cc2n(n1)CCCC2)C1CC1 ZINC000649572695 397964628 /nfs/dbraw/zinc/96/46/28/397964628.db2.gz FZVAWDPSGIPKTA-UHFFFAOYSA-N 1 2 231.343 2.370 20 30 BEEDLO C=CC[N@@H+](Cc1cc2n(n1)CCCC2)C1CC1 ZINC000649572695 397964629 /nfs/dbraw/zinc/96/46/29/397964629.db2.gz FZVAWDPSGIPKTA-UHFFFAOYSA-N 1 2 231.343 2.370 20 30 BEEDLO CC[C@@H](C#N)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000598264701 398029785 /nfs/dbraw/zinc/02/97/85/398029785.db2.gz ZVVHOJFIGLDQPX-JTQLQIEISA-N 1 2 242.282 2.131 20 30 BEEDLO COCCC1C[NH+](Cc2cccc(F)c2C#N)C1 ZINC000602710071 398079144 /nfs/dbraw/zinc/07/91/44/398079144.db2.gz XACZUPZHWLVMKD-UHFFFAOYSA-N 1 2 248.301 2.166 20 30 BEEDLO Cc1[nH]ncc1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000571917543 398128008 /nfs/dbraw/zinc/12/80/08/398128008.db2.gz HDSQXPAPSMMUAA-UHFFFAOYSA-N 1 2 240.310 2.074 20 30 BEEDLO C#CC[N@@H+](Cc1nc(C)c(C)[nH]1)C(C)(C)C ZINC001648370379 1172829008 /nfs/dbraw/zinc/82/90/08/1172829008.db2.gz SQDIWIKSMYMGMI-UHFFFAOYSA-N 1 2 219.332 2.260 20 30 BEEDLO C#CC[N@H+](Cc1nc(C)c(C)[nH]1)C(C)(C)C ZINC001648370379 1172829015 /nfs/dbraw/zinc/82/90/15/1172829015.db2.gz SQDIWIKSMYMGMI-UHFFFAOYSA-N 1 2 219.332 2.260 20 30 BEEDLO C=CC[C@@H]([NH2+]Cc1c[nH]cn1)c1ccncc1 ZINC001649805365 1172878657 /nfs/dbraw/zinc/87/86/57/1172878657.db2.gz CRIUESKUULQVCR-CYBMUJFWSA-N 1 2 228.299 2.212 20 30 BEEDLO C#C[C@@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001650997093 1172915711 /nfs/dbraw/zinc/91/57/11/1172915711.db2.gz RNVYNRXIRDYEKE-SNVBAGLBSA-N 1 2 236.278 2.316 20 30 BEEDLO C#CCN(c1cc(CC)[nH+]c(CC)n1)C1CC1 ZINC001651077573 1172920812 /nfs/dbraw/zinc/92/08/12/1172920812.db2.gz NWYFFXOCYSSXLX-UHFFFAOYSA-N 1 2 229.327 2.203 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nccn1C(F)F ZINC000279263959 166111464 /nfs/dbraw/zinc/11/14/64/166111464.db2.gz MONZLMKZNPMSKR-UHFFFAOYSA-N 1 2 227.258 2.122 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nccn1C(F)F ZINC000279263959 166111470 /nfs/dbraw/zinc/11/14/70/166111470.db2.gz MONZLMKZNPMSKR-UHFFFAOYSA-N 1 2 227.258 2.122 20 30 BEEDLO C#CCCCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000277263099 166119916 /nfs/dbraw/zinc/11/99/16/166119916.db2.gz XBNMBBGQAXFRIE-UHFFFAOYSA-N 1 2 241.294 2.385 20 30 BEEDLO C=C(C)CC[N@@H+](C)Cc1nnc(C)s1 ZINC000662255931 409553356 /nfs/dbraw/zinc/55/33/56/409553356.db2.gz GQMVLXLXLXFTDA-UHFFFAOYSA-N 1 2 211.334 2.245 20 30 BEEDLO C=C(C)CC[N@H+](C)Cc1nnc(C)s1 ZINC000662255931 409553359 /nfs/dbraw/zinc/55/33/59/409553359.db2.gz GQMVLXLXLXFTDA-UHFFFAOYSA-N 1 2 211.334 2.245 20 30 BEEDLO C=CC[N@H+](Cc1nc(C)c(C)o1)[C@@H](C)COC ZINC000661243393 410407552 /nfs/dbraw/zinc/40/75/52/410407552.db2.gz KHEHELNHLFIDJL-JTQLQIEISA-N 1 2 238.331 2.314 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C)c(C)o1)[C@@H](C)COC ZINC000661243393 410407560 /nfs/dbraw/zinc/40/75/60/410407560.db2.gz KHEHELNHLFIDJL-JTQLQIEISA-N 1 2 238.331 2.314 20 30 BEEDLO C#CC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000273406967 166171824 /nfs/dbraw/zinc/17/18/24/166171824.db2.gz VPZBUYGEOPXFKG-LBPRGKRZSA-N 1 2 245.326 2.497 20 30 BEEDLO C#CC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000273406967 166171828 /nfs/dbraw/zinc/17/18/28/166171828.db2.gz VPZBUYGEOPXFKG-LBPRGKRZSA-N 1 2 245.326 2.497 20 30 BEEDLO C#CC[C@@H]([NH2+]Cc1nonc1C)c1ccccc1 ZINC000271708780 166204931 /nfs/dbraw/zinc/20/49/31/166204931.db2.gz NYCAUGSGLIQEKU-CYBMUJFWSA-N 1 2 241.294 2.232 20 30 BEEDLO C=CCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000279574499 166244475 /nfs/dbraw/zinc/24/44/75/166244475.db2.gz VFIVTMVYGQFBQV-UHFFFAOYSA-N 1 2 232.331 2.455 20 30 BEEDLO C=CCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000279574499 166244477 /nfs/dbraw/zinc/24/44/77/166244477.db2.gz VFIVTMVYGQFBQV-UHFFFAOYSA-N 1 2 232.331 2.455 20 30 BEEDLO C=CCC[N@H+]1CCOC[C@H]1c1nc(C)cs1 ZINC000189244007 166265126 /nfs/dbraw/zinc/26/51/26/166265126.db2.gz QJPPGXIADAFZJL-NSHDSACASA-N 1 2 238.356 2.401 20 30 BEEDLO C=CCC[N@@H+]1CCOC[C@H]1c1nc(C)cs1 ZINC000189244007 166265128 /nfs/dbraw/zinc/26/51/28/166265128.db2.gz QJPPGXIADAFZJL-NSHDSACASA-N 1 2 238.356 2.401 20 30 BEEDLO C=CCCO[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000107289382 166289438 /nfs/dbraw/zinc/28/94/38/166289438.db2.gz VGHUHAMBHCPPHD-LLVKDONJSA-N 1 2 234.299 2.310 20 30 BEEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1F ZINC000066215729 166334251 /nfs/dbraw/zinc/33/42/51/166334251.db2.gz HBPNECAFBYKSQP-UHFFFAOYSA-N 1 2 248.301 2.438 20 30 BEEDLO C=CCN(CCOC)c1cc[nH+]c2ccncc21 ZINC000357675970 166344265 /nfs/dbraw/zinc/34/42/65/166344265.db2.gz SSSDJHPAARNSJB-UHFFFAOYSA-N 1 2 243.310 2.269 20 30 BEEDLO C=CC[N@H+](CCc1ccco1)Cc1csnn1 ZINC000272655534 166344547 /nfs/dbraw/zinc/34/45/47/166344547.db2.gz QOQYLRHAHLLDMI-UHFFFAOYSA-N 1 2 249.339 2.362 20 30 BEEDLO C=CC[N@@H+](CCc1ccco1)Cc1csnn1 ZINC000272655534 166344551 /nfs/dbraw/zinc/34/45/51/166344551.db2.gz QOQYLRHAHLLDMI-UHFFFAOYSA-N 1 2 249.339 2.362 20 30 BEEDLO C=CC[N@@H+](Cc1ncnn1C(C)C)C1CC1 ZINC000279777431 166349710 /nfs/dbraw/zinc/34/97/10/166349710.db2.gz UBQYSZKNHRBIQA-UHFFFAOYSA-N 1 2 220.320 2.009 20 30 BEEDLO C=CC[N@H+](Cc1ncnn1C(C)C)C1CC1 ZINC000279777431 166349713 /nfs/dbraw/zinc/34/97/13/166349713.db2.gz UBQYSZKNHRBIQA-UHFFFAOYSA-N 1 2 220.320 2.009 20 30 BEEDLO C=CCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000152369818 166379943 /nfs/dbraw/zinc/37/99/43/166379943.db2.gz QWFWLOMQXPHKHK-UHFFFAOYSA-N 1 2 205.261 2.006 20 30 BEEDLO C=C(C)COCCNc1nc(C)[nH+]cc1C ZINC000656147504 411186195 /nfs/dbraw/zinc/18/61/95/411186195.db2.gz ZEFWDWQZEADYKB-UHFFFAOYSA-N 1 2 221.304 2.098 20 30 BEEDLO C=CCCn1cc(CNc2c[nH+]ccc2C)nn1 ZINC000656771406 411364559 /nfs/dbraw/zinc/36/45/59/411364559.db2.gz RQCBIDTUGPFSAU-UHFFFAOYSA-N 1 2 243.314 2.170 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)CC#N ZINC000287538373 411461968 /nfs/dbraw/zinc/46/19/68/411461968.db2.gz OAPPQQRPGYCRDR-SECBINFHSA-N 1 2 232.287 2.122 20 30 BEEDLO C=CCC[N@@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660762869 411623107 /nfs/dbraw/zinc/62/31/07/411623107.db2.gz YJPMLWPZYOPDNO-ZDUSSCGKSA-N 1 2 242.326 2.402 20 30 BEEDLO C=CCC[N@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660762869 411623110 /nfs/dbraw/zinc/62/31/10/411623110.db2.gz YJPMLWPZYOPDNO-ZDUSSCGKSA-N 1 2 242.326 2.402 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1cc(C2CC2)no1 ZINC000660402484 411580153 /nfs/dbraw/zinc/58/01/53/411580153.db2.gz HQMQSAGEYQHZOB-UHFFFAOYSA-N 1 2 236.315 2.186 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1cc(C2CC2)no1 ZINC000660402484 411580155 /nfs/dbraw/zinc/58/01/55/411580155.db2.gz HQMQSAGEYQHZOB-UHFFFAOYSA-N 1 2 236.315 2.186 20 30 BEEDLO C=CC[N@@H+](Cc1ncc(CC)o1)[C@@H](C)COC ZINC000661243778 411743770 /nfs/dbraw/zinc/74/37/70/411743770.db2.gz NDQGQLSEVJLBKE-NSHDSACASA-N 1 2 238.331 2.260 20 30 BEEDLO C=CC[N@H+](Cc1ncc(CC)o1)[C@@H](C)COC ZINC000661243778 411743773 /nfs/dbraw/zinc/74/37/73/411743773.db2.gz NDQGQLSEVJLBKE-NSHDSACASA-N 1 2 238.331 2.260 20 30 BEEDLO C=CCCCCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661405163 411769381 /nfs/dbraw/zinc/76/93/81/411769381.db2.gz CFQNSBYIACBBHV-LLVKDONJSA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCCCCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661405163 411769384 /nfs/dbraw/zinc/76/93/84/411769384.db2.gz CFQNSBYIACBBHV-LLVKDONJSA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661411277 411770677 /nfs/dbraw/zinc/77/06/77/411770677.db2.gz XTGIOEMITIRAOL-MNOVXSKESA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCCC[C@@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661411277 411770681 /nfs/dbraw/zinc/77/06/81/411770681.db2.gz XTGIOEMITIRAOL-MNOVXSKESA-N 1 2 233.302 2.433 20 30 BEEDLO COCC#CC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515037 411794309 /nfs/dbraw/zinc/79/43/09/411794309.db2.gz UIPWQFOXQVTDFP-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO COCC#CC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515037 411794312 /nfs/dbraw/zinc/79/43/12/411794312.db2.gz UIPWQFOXQVTDFP-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662230090 412032512 /nfs/dbraw/zinc/03/25/12/412032512.db2.gz RHSASVLXCGCUFC-QWRGUYRKSA-N 1 2 249.276 2.442 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662230090 412032515 /nfs/dbraw/zinc/03/25/15/412032515.db2.gz RHSASVLXCGCUFC-QWRGUYRKSA-N 1 2 249.276 2.442 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662230088 412032726 /nfs/dbraw/zinc/03/27/26/412032726.db2.gz RHSASVLXCGCUFC-GHMZBOCLSA-N 1 2 249.276 2.442 20 30 BEEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662230088 412032728 /nfs/dbraw/zinc/03/27/28/412032728.db2.gz RHSASVLXCGCUFC-GHMZBOCLSA-N 1 2 249.276 2.442 20 30 BEEDLO CC#CC[N@@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662240313 412036559 /nfs/dbraw/zinc/03/65/59/412036559.db2.gz DDWBNMOXTIHZBH-NXEZZACHSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CC[N@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662240313 412036562 /nfs/dbraw/zinc/03/65/62/412036562.db2.gz DDWBNMOXTIHZBH-NXEZZACHSA-N 1 2 235.249 2.051 20 30 BEEDLO C=CCCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664981977 412055261 /nfs/dbraw/zinc/05/52/61/412055261.db2.gz MNBNKHAFJJEQCG-UHFFFAOYSA-N 1 2 229.283 2.482 20 30 BEEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1OC ZINC000047979775 175095287 /nfs/dbraw/zinc/09/52/87/175095287.db2.gz QCVGDYVLEPHREF-NSHDSACASA-N 1 2 248.326 2.295 20 30 BEEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1OC ZINC000047979775 175095289 /nfs/dbraw/zinc/09/52/89/175095289.db2.gz QCVGDYVLEPHREF-NSHDSACASA-N 1 2 248.326 2.295 20 30 BEEDLO COc1cccc(C[N@H+](C)CCC#N)c1 ZINC000019834152 175254433 /nfs/dbraw/zinc/25/44/33/175254433.db2.gz NJFOELRJSZMMJO-UHFFFAOYSA-N 1 2 204.273 2.041 20 30 BEEDLO COc1cccc(C[N@@H+](C)CCC#N)c1 ZINC000019834152 175254434 /nfs/dbraw/zinc/25/44/34/175254434.db2.gz NJFOELRJSZMMJO-UHFFFAOYSA-N 1 2 204.273 2.041 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H](C2CC2)O1 ZINC000280538651 176302580 /nfs/dbraw/zinc/30/25/80/176302580.db2.gz JBNGMOXCOHATGM-QMTHXVAHSA-N 1 2 246.310 2.151 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H](C2CC2)O1 ZINC000280538651 176302582 /nfs/dbraw/zinc/30/25/82/176302582.db2.gz JBNGMOXCOHATGM-QMTHXVAHSA-N 1 2 246.310 2.151 20 30 BEEDLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1sccc1C#N ZINC000336567604 176363907 /nfs/dbraw/zinc/36/39/07/176363907.db2.gz RXRPDZGVNSYVAH-RKDXNWHRSA-N 1 2 249.339 2.041 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160778845 177263527 /nfs/dbraw/zinc/26/35/27/177263527.db2.gz XESKHYRKDKXUHI-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160778845 177263528 /nfs/dbraw/zinc/26/35/28/177263528.db2.gz XESKHYRKDKXUHI-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO CO[C@@H](C[N@H+](CC#N)C1CCCC1)C1CC1 ZINC000400193078 226335276 /nfs/dbraw/zinc/33/52/76/226335276.db2.gz WHELROBVHXLFFC-ZDUSSCGKSA-N 1 2 222.332 2.180 20 30 BEEDLO CO[C@@H](C[N@@H+](CC#N)C1CCCC1)C1CC1 ZINC000400193078 226335277 /nfs/dbraw/zinc/33/52/77/226335277.db2.gz WHELROBVHXLFFC-ZDUSSCGKSA-N 1 2 222.332 2.180 20 30 BEEDLO C=C(C)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671714179 487703814 /nfs/dbraw/zinc/70/38/14/487703814.db2.gz OXCSKWJJYCAEHY-IUCAKERBSA-N 1 2 223.238 2.214 20 30 BEEDLO C=C(C)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671714179 487703817 /nfs/dbraw/zinc/70/38/17/487703817.db2.gz OXCSKWJJYCAEHY-IUCAKERBSA-N 1 2 223.238 2.214 20 30 BEEDLO Cc1cc(NC[C@H]2CC2(C)C)c(C#N)c[nH+]1 ZINC000399461119 267300387 /nfs/dbraw/zinc/30/03/87/267300387.db2.gz PYRADSRVXRVFCA-LLVKDONJSA-N 1 2 215.300 2.142 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000852684687 588695833 /nfs/dbraw/zinc/69/58/33/588695833.db2.gz MJRRPWMEIMEVKM-BDAKNGLRSA-N 1 2 233.142 2.416 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000852684687 588695834 /nfs/dbraw/zinc/69/58/34/588695834.db2.gz MJRRPWMEIMEVKM-BDAKNGLRSA-N 1 2 233.142 2.416 20 30 BEEDLO CCCc1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595609733 487871982 /nfs/dbraw/zinc/87/19/82/487871982.db2.gz OLHMFABPVSKEKA-NSHDSACASA-N 1 2 248.330 2.148 20 30 BEEDLO CCCc1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595609733 487871986 /nfs/dbraw/zinc/87/19/86/487871986.db2.gz OLHMFABPVSKEKA-NSHDSACASA-N 1 2 248.330 2.148 20 30 BEEDLO N#CC[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000595610197 487872756 /nfs/dbraw/zinc/87/27/56/487872756.db2.gz SZUHKGHOTIIGKG-SNVBAGLBSA-N 1 2 246.314 2.073 20 30 BEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000595610197 487872765 /nfs/dbraw/zinc/87/27/65/487872765.db2.gz SZUHKGHOTIIGKG-SNVBAGLBSA-N 1 2 246.314 2.073 20 30 BEEDLO CC[N@@H+](CC#N)CC/C=C/c1cncc(OC)c1 ZINC000566734472 323012502 /nfs/dbraw/zinc/01/25/02/323012502.db2.gz FOGFYSKDTWHCOH-GQCTYLIASA-N 1 2 245.326 2.339 20 30 BEEDLO CC[N@H+](CC#N)CC/C=C/c1cncc(OC)c1 ZINC000566734472 323012503 /nfs/dbraw/zinc/01/25/03/323012503.db2.gz FOGFYSKDTWHCOH-GQCTYLIASA-N 1 2 245.326 2.339 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000562353650 323017598 /nfs/dbraw/zinc/01/75/98/323017598.db2.gz VDGRYEPNKOWSCD-NSHDSACASA-N 1 2 233.315 2.488 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000562353650 323017599 /nfs/dbraw/zinc/01/75/99/323017599.db2.gz VDGRYEPNKOWSCD-NSHDSACASA-N 1 2 233.315 2.488 20 30 BEEDLO Cc1nc([C@H](C)[NH+]2CCC(CC#N)CC2)no1 ZINC000562906646 323033257 /nfs/dbraw/zinc/03/32/57/323033257.db2.gz WHMOYDODNVOMDS-VIFPVBQESA-N 1 2 234.303 2.065 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnnn1CCCC ZINC000570343253 323056586 /nfs/dbraw/zinc/05/65/86/323056586.db2.gz NPDMZMZEMUSUKB-GFCCVEGCSA-N 1 2 249.362 2.014 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnnn1CCCC ZINC000570343253 323056587 /nfs/dbraw/zinc/05/65/87/323056587.db2.gz NPDMZMZEMUSUKB-GFCCVEGCSA-N 1 2 249.362 2.014 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000160281796 323064634 /nfs/dbraw/zinc/06/46/34/323064634.db2.gz DUQGIVIAISYOGI-MRXNPFEDSA-N 1 2 243.350 2.343 20 30 BEEDLO CC#CC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000160281796 323064635 /nfs/dbraw/zinc/06/46/35/323064635.db2.gz DUQGIVIAISYOGI-MRXNPFEDSA-N 1 2 243.350 2.343 20 30 BEEDLO C=C1CC[NH+](CC(=O)c2cc(C)n(C)c2C)CC1 ZINC000531493432 323098543 /nfs/dbraw/zinc/09/85/43/323098543.db2.gz YKFDTJWFJXLXGE-UHFFFAOYSA-N 1 2 246.354 2.477 20 30 BEEDLO C=CCC(CC=C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000531561595 323110018 /nfs/dbraw/zinc/11/00/18/323110018.db2.gz WVNACGQQMSAOOQ-UHFFFAOYSA-N 1 2 245.326 2.035 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000563821294 323179398 /nfs/dbraw/zinc/17/93/98/323179398.db2.gz QHKUNBDMBCJAGR-LBPRGKRZSA-N 1 2 245.326 2.215 20 30 BEEDLO N#C[C@]1(F)CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000615651378 487958422 /nfs/dbraw/zinc/95/84/22/487958422.db2.gz IHFHUUADHDSNDC-NWDGAFQWSA-N 1 2 208.280 2.280 20 30 BEEDLO N#C[C@]1(F)CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000615651378 487958429 /nfs/dbraw/zinc/95/84/29/487958429.db2.gz IHFHUUADHDSNDC-NWDGAFQWSA-N 1 2 208.280 2.280 20 30 BEEDLO C#C[C@H]([NH2+]Cc1cncnc1)c1ccc(F)cc1 ZINC000491737194 324158772 /nfs/dbraw/zinc/15/87/72/324158772.db2.gz LEDRBIUDTSYHPD-AWEZNQCLSA-N 1 2 241.269 2.080 20 30 BEEDLO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]CCC#N ZINC000566129235 326000584 /nfs/dbraw/zinc/00/05/84/326000584.db2.gz ATQVVNILDVJFIJ-UFBFGSQYSA-N 1 2 220.247 2.151 20 30 BEEDLO COc1ccc[nH+]c1N[C@@H]1CC[C@@H](C#N)C1 ZINC000309869284 326172930 /nfs/dbraw/zinc/17/29/30/326172930.db2.gz PXSJGBGHKZZZKP-NXEZZACHSA-N 1 2 217.272 2.194 20 30 BEEDLO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CC2(CCC2)O1 ZINC000568627615 326368468 /nfs/dbraw/zinc/36/84/68/326368468.db2.gz DUXYBDYWLTWQGX-OLZOCXBDSA-N 1 2 247.342 2.073 20 30 BEEDLO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC2(CCC2)O1 ZINC000568627615 326368469 /nfs/dbraw/zinc/36/84/69/326368469.db2.gz DUXYBDYWLTWQGX-OLZOCXBDSA-N 1 2 247.342 2.073 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ccnn1CCC ZINC000667473003 488018793 /nfs/dbraw/zinc/01/87/93/488018793.db2.gz ZLZYLSKPERYQEE-UHFFFAOYSA-N 1 2 219.332 2.467 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1n[nH]c2ccccc21 ZINC000683001061 488083195 /nfs/dbraw/zinc/08/31/95/488083195.db2.gz OBLDVKQJTZLKKO-UHFFFAOYSA-N 1 2 245.326 2.197 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1n[nH]c2ccccc21 ZINC000683001061 488083197 /nfs/dbraw/zinc/08/31/97/488083197.db2.gz OBLDVKQJTZLKKO-UHFFFAOYSA-N 1 2 245.326 2.197 20 30 BEEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(C)(C)C#N)C2 ZINC000160991486 487542130 /nfs/dbraw/zinc/54/21/30/487542130.db2.gz NIKMYFMHHQDRDA-UHFFFAOYSA-N 1 2 246.358 2.204 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nnc(CC)s1 ZINC000680046140 487526540 /nfs/dbraw/zinc/52/65/40/487526540.db2.gz UPSGPZRHWHMVPC-UHFFFAOYSA-N 1 2 225.361 2.499 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nnc(CC)s1 ZINC000680046140 487526541 /nfs/dbraw/zinc/52/65/41/487526541.db2.gz UPSGPZRHWHMVPC-UHFFFAOYSA-N 1 2 225.361 2.499 20 30 BEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(CC)[nH+]cn1 ZINC000684764748 488340740 /nfs/dbraw/zinc/34/07/40/488340740.db2.gz RYFFSBFVNKZHNL-BXUZGUMPSA-N 1 2 247.342 2.432 20 30 BEEDLO CCc1noc([C@H](C)[NH+]2CCC(C)(C#N)CC2)n1 ZINC000408157117 490131553 /nfs/dbraw/zinc/13/15/53/490131553.db2.gz ABAZJRGHKUGGQU-JTQLQIEISA-N 1 2 248.330 2.319 20 30 BEEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cc[nH]n1 ZINC000507221757 534048387 /nfs/dbraw/zinc/04/83/87/534048387.db2.gz NWCHGTNIVAEGHQ-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc[nH]n1 ZINC000507221757 534048398 /nfs/dbraw/zinc/04/83/98/534048398.db2.gz NWCHGTNIVAEGHQ-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO C=CCSCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000892098510 582790398 /nfs/dbraw/zinc/79/03/98/582790398.db2.gz GAKWLUDFTLBSEO-SNVBAGLBSA-N 1 2 238.356 2.466 20 30 BEEDLO C=C(CC)C[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000358622029 534394608 /nfs/dbraw/zinc/39/46/08/534394608.db2.gz DEAQAHCIEICACA-AWEZNQCLSA-N 1 2 244.338 2.126 20 30 BEEDLO C=C(CC)C[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000358622029 534394616 /nfs/dbraw/zinc/39/46/16/534394616.db2.gz DEAQAHCIEICACA-AWEZNQCLSA-N 1 2 244.338 2.126 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000369374323 534441583 /nfs/dbraw/zinc/44/15/83/534441583.db2.gz ISPOJCJIKQNZJU-TUAOUCFPSA-N 1 2 245.750 2.007 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000369374323 534441589 /nfs/dbraw/zinc/44/15/89/534441589.db2.gz ISPOJCJIKQNZJU-TUAOUCFPSA-N 1 2 245.750 2.007 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000366567326 534443151 /nfs/dbraw/zinc/44/31/51/534443151.db2.gz CEXISCQJOBTUNS-VXGBXAGGSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000366567326 534443157 /nfs/dbraw/zinc/44/31/57/534443157.db2.gz CEXISCQJOBTUNS-VXGBXAGGSA-N 1 2 245.750 2.009 20 30 BEEDLO C=CCn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000303098109 534450950 /nfs/dbraw/zinc/45/09/50/534450950.db2.gz WNBMAZRMHLVRHP-JTQLQIEISA-N 1 2 231.299 2.015 20 30 BEEDLO C=C[C@@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000336095124 534561844 /nfs/dbraw/zinc/56/18/44/534561844.db2.gz JFRHOONSLZUFAC-LLVKDONJSA-N 1 2 203.289 2.330 20 30 BEEDLO C=CCCC1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000354588875 534641366 /nfs/dbraw/zinc/64/13/66/534641366.db2.gz XQCQXRIBJJNXKN-LBPRGKRZSA-N 1 2 247.342 2.134 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncccn1 ZINC000335389987 534697381 /nfs/dbraw/zinc/69/73/81/534697381.db2.gz ZZVBZKJJIJNKJN-NSHDSACASA-N 1 2 203.289 2.017 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncccn1 ZINC000335389987 534697384 /nfs/dbraw/zinc/69/73/84/534697384.db2.gz ZZVBZKJJIJNKJN-NSHDSACASA-N 1 2 203.289 2.017 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000335696150 534697465 /nfs/dbraw/zinc/69/74/65/534697465.db2.gz QQGXHWPYZSZXKU-LBPRGKRZSA-N 1 2 246.358 2.155 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc2n1CCCC2 ZINC000335696150 534697469 /nfs/dbraw/zinc/69/74/69/534697469.db2.gz QQGXHWPYZSZXKU-LBPRGKRZSA-N 1 2 246.358 2.155 20 30 BEEDLO C=CCCN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000341526476 534772168 /nfs/dbraw/zinc/77/21/68/534772168.db2.gz QUPRMWGWNQNRCP-UHFFFAOYSA-N 1 2 216.288 2.279 20 30 BEEDLO C=CCN(C)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000160567037 534818446 /nfs/dbraw/zinc/81/84/46/534818446.db2.gz WSUJARHNBDVXSW-UHFFFAOYSA-N 1 2 240.310 2.469 20 30 BEEDLO C=CCN(CC=C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370535078 534824190 /nfs/dbraw/zinc/82/41/90/534824190.db2.gz WVDSJWDQDKCNEV-LLVKDONJSA-N 1 2 245.326 2.030 20 30 BEEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)OC ZINC000357849814 534841032 /nfs/dbraw/zinc/84/10/32/534841032.db2.gz QHWPAEBBRCNVSG-SNVBAGLBSA-N 1 2 239.340 2.298 20 30 BEEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)OC ZINC000357849814 534841035 /nfs/dbraw/zinc/84/10/35/534841035.db2.gz QHWPAEBBRCNVSG-SNVBAGLBSA-N 1 2 239.340 2.298 20 30 BEEDLO C=CC[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000336124771 534853021 /nfs/dbraw/zinc/85/30/21/534853021.db2.gz BEDDWOOTVVVFBV-QMMMGPOBSA-N 1 2 223.238 2.214 20 30 BEEDLO C=CC[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000336124771 534853025 /nfs/dbraw/zinc/85/30/25/534853025.db2.gz BEDDWOOTVVVFBV-QMMMGPOBSA-N 1 2 223.238 2.214 20 30 BEEDLO C=CCC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493501650 526998548 /nfs/dbraw/zinc/99/85/48/526998548.db2.gz WLLIEHSECLEUPS-WAYWQWQTSA-N 1 2 233.315 2.141 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493667660 527251378 /nfs/dbraw/zinc/25/13/78/527251378.db2.gz ZTTGSDYLYIZIRS-WSKFYRRCSA-N 1 2 233.315 2.284 20 30 BEEDLO C#C[C@H](C)N(C)c1[nH+]c2cccc(F)c2n1C ZINC000491046214 527335894 /nfs/dbraw/zinc/33/58/94/527335894.db2.gz OVYLICVANVURCK-VIFPVBQESA-N 1 2 231.274 2.170 20 30 BEEDLO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494285955 527494166 /nfs/dbraw/zinc/49/41/66/527494166.db2.gz VGIHKSHNVWQBJR-MNOVXSKESA-N 1 2 233.302 2.291 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494285955 527494172 /nfs/dbraw/zinc/49/41/72/527494172.db2.gz VGIHKSHNVWQBJR-MNOVXSKESA-N 1 2 233.302 2.291 20 30 BEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000494705379 527573420 /nfs/dbraw/zinc/57/34/20/527573420.db2.gz YVDPENDECJRNJD-UHFFFAOYSA-N 1 2 236.290 2.190 20 30 BEEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000494705379 527573426 /nfs/dbraw/zinc/57/34/26/527573426.db2.gz YVDPENDECJRNJD-UHFFFAOYSA-N 1 2 236.290 2.190 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000505891311 527643599 /nfs/dbraw/zinc/64/35/99/527643599.db2.gz KHDXTLXAIBYMQS-UHFFFAOYSA-N 1 2 248.282 2.474 20 30 BEEDLO CC(C)[C@@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000361861393 535259699 /nfs/dbraw/zinc/25/96/99/535259699.db2.gz AALGZUFPQKRIGF-INIZCTEOSA-N 1 2 243.350 2.395 20 30 BEEDLO CC(C)[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000361861393 535259705 /nfs/dbraw/zinc/25/97/05/535259705.db2.gz AALGZUFPQKRIGF-INIZCTEOSA-N 1 2 243.350 2.395 20 30 BEEDLO CCCCO[NH+]=C(N)COc1ccccc1 ZINC000085259954 535296437 /nfs/dbraw/zinc/29/64/37/535296437.db2.gz IXMASCBYKYBDGM-UHFFFAOYSA-N 1 2 222.288 2.154 20 30 BEEDLO CCc1nocc1C[NH2+][C@H](CC)CC#N ZINC000352917817 535906077 /nfs/dbraw/zinc/90/60/77/535906077.db2.gz ZPUCLIQMGRSVHG-SNVBAGLBSA-N 1 2 207.277 2.019 20 30 BEEDLO CCn1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000354032947 536050615 /nfs/dbraw/zinc/05/06/15/536050615.db2.gz GNUBNJMUPKLUTJ-LLVKDONJSA-N 1 2 232.331 2.027 20 30 BEEDLO CCn1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000354032947 536050618 /nfs/dbraw/zinc/05/06/18/536050618.db2.gz GNUBNJMUPKLUTJ-LLVKDONJSA-N 1 2 232.331 2.027 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(OC)c1OC ZINC000054182396 536057686 /nfs/dbraw/zinc/05/76/86/536057686.db2.gz RURVXGZBRXHMNY-GFCCVEGCSA-N 1 2 248.326 2.486 20 30 BEEDLO COC(=O)C1([NH2+]CCCC#N)CCCCCC1 ZINC000154857813 536434821 /nfs/dbraw/zinc/43/48/21/536434821.db2.gz ZNCRZWMSCHBZEL-UHFFFAOYSA-N 1 2 238.331 2.146 20 30 BEEDLO COc1ccc(F)cc1[C@@H](C)[NH2+]CCC#N ZINC000299722367 536634454 /nfs/dbraw/zinc/63/44/54/536634454.db2.gz SRGOFYUARHRBHV-SECBINFHSA-N 1 2 222.263 2.399 20 30 BEEDLO COC[C@@H](Cc1ccccc1)[N@H+](C)CCC#N ZINC000355789145 536646573 /nfs/dbraw/zinc/64/65/73/536646573.db2.gz VPCCLQJHDQMEER-CQSZACIVSA-N 1 2 232.327 2.090 20 30 BEEDLO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC#N ZINC000355789145 536646577 /nfs/dbraw/zinc/64/65/77/536646577.db2.gz VPCCLQJHDQMEER-CQSZACIVSA-N 1 2 232.327 2.090 20 30 BEEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1C#N ZINC000234800432 536748548 /nfs/dbraw/zinc/74/85/48/536748548.db2.gz ZEVAGNFGUKGDLH-NSHDSACASA-N 1 2 243.310 2.158 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1nnc(C2CC2)s1 ZINC000893350067 583118537 /nfs/dbraw/zinc/11/85/37/583118537.db2.gz DODLOOFQEWESHK-UHFFFAOYSA-N 1 2 229.736 2.258 20 30 BEEDLO Cc1[nH+]cc(C=NNCc2cccc(C)c2)n1C ZINC000853318936 588732536 /nfs/dbraw/zinc/73/25/36/588732536.db2.gz YJDILTGCSRWFPK-UHFFFAOYSA-N 1 2 242.326 2.161 20 30 BEEDLO Cc1[nH]c(CN=Nc2ncccc2C)[nH+]c1C ZINC000853337458 588734760 /nfs/dbraw/zinc/73/47/60/588734760.db2.gz JMQVYPDQRLAMFK-UHFFFAOYSA-N 1 2 229.287 2.176 20 30 BEEDLO CC(=NN1CCCC[C@@H]1C)c1cn(C)c(C)[nH+]1 ZINC000853381389 588739613 /nfs/dbraw/zinc/73/96/13/588739613.db2.gz BXAULSJRESUHRK-JTQLQIEISA-N 1 2 234.347 2.327 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCOC1 ZINC000853457488 588744147 /nfs/dbraw/zinc/74/41/47/588744147.db2.gz VBCWXJRKRXUAQW-LBPRGKRZSA-N 1 2 246.310 2.075 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCOC1 ZINC000853457487 588744200 /nfs/dbraw/zinc/74/42/00/588744200.db2.gz VBCWXJRKRXUAQW-GFCCVEGCSA-N 1 2 246.310 2.075 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1NCCCCO ZINC000853544732 588748389 /nfs/dbraw/zinc/74/83/89/588748389.db2.gz JDPCEFUBWHTLDR-UHFFFAOYSA-N 1 2 248.326 2.058 20 30 BEEDLO COc1cc(C)[nH+]c(CON=CC2CC2)c1 ZINC000853734946 588760224 /nfs/dbraw/zinc/76/02/24/588760224.db2.gz MHROCTUZYGUQDH-UHFFFAOYSA-N 1 2 220.272 2.311 20 30 BEEDLO C=CC[C@H]1CCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000890549139 582470558 /nfs/dbraw/zinc/47/05/58/582470558.db2.gz HTQYOEIDWRDPPU-LBPRGKRZSA-N 1 2 247.342 2.104 20 30 BEEDLO C=CC[C@@H]1CCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000890551234 582471135 /nfs/dbraw/zinc/47/11/35/582471135.db2.gz YNFBONMNWDZHNP-VXGBXAGGSA-N 1 2 233.315 2.011 20 30 BEEDLO C=CCCCN(CC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000890810841 582571832 /nfs/dbraw/zinc/57/18/32/582571832.db2.gz HEVTYSUPNNQANJ-GFCCVEGCSA-N 1 2 249.358 2.403 20 30 BEEDLO C=CCCCN(CC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000890810841 582571834 /nfs/dbraw/zinc/57/18/34/582571834.db2.gz HEVTYSUPNNQANJ-GFCCVEGCSA-N 1 2 249.358 2.403 20 30 BEEDLO C=CCCCN(CC)C(=O)CCc1[nH]cc[nH+]1 ZINC000890812828 582574107 /nfs/dbraw/zinc/57/41/07/582574107.db2.gz OSCGHMMZJTUPQU-UHFFFAOYSA-N 1 2 235.331 2.157 20 30 BEEDLO CC[C@@H](CC#N)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845528647 582613495 /nfs/dbraw/zinc/61/34/95/582613495.db2.gz KHDKNULTIXKFJT-QWRGUYRKSA-N 1 2 235.287 2.070 20 30 BEEDLO CCN(Cc1[nH+]ccn1C1CC1)C[C@H](C)C#N ZINC000891715331 582712140 /nfs/dbraw/zinc/71/21/40/582712140.db2.gz CRYXEMIVNMHZDA-LLVKDONJSA-N 1 2 232.331 2.200 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)C[C@@H]1C[C@]1(C)Br ZINC000891716070 582713142 /nfs/dbraw/zinc/71/31/42/582713142.db2.gz KSQZROZZMCYSEK-UTLUCORTSA-N 1 2 245.164 2.251 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)C[C@@H]1C[C@]1(C)Br ZINC000891716070 582713143 /nfs/dbraw/zinc/71/31/43/582713143.db2.gz KSQZROZZMCYSEK-UTLUCORTSA-N 1 2 245.164 2.251 20 30 BEEDLO C=C(C)CN(CC)c1nccn2c[nH+]cc12 ZINC000891723539 582714036 /nfs/dbraw/zinc/71/40/36/582714036.db2.gz OKSLODRQFLDASS-UHFFFAOYSA-N 1 2 216.288 2.132 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(O)c(F)c1 ZINC000891934207 582740100 /nfs/dbraw/zinc/74/01/00/582740100.db2.gz RQUJZUUBRQZKBU-VIFPVBQESA-N 1 2 222.263 2.265 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000891934207 582740102 /nfs/dbraw/zinc/74/01/02/582740102.db2.gz RQUJZUUBRQZKBU-VIFPVBQESA-N 1 2 222.263 2.265 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnn(C2CCC2)c1 ZINC000891933109 582740158 /nfs/dbraw/zinc/74/01/58/582740158.db2.gz AZOKRHTUHXKFIJ-NSHDSACASA-N 1 2 232.331 2.342 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnn(C2CCC2)c1 ZINC000891933109 582740162 /nfs/dbraw/zinc/74/01/62/582740162.db2.gz AZOKRHTUHXKFIJ-NSHDSACASA-N 1 2 232.331 2.342 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000891935276 582740523 /nfs/dbraw/zinc/74/05/23/582740523.db2.gz ZTJRBNBZTRNCOR-LBPRGKRZSA-N 1 2 246.358 2.417 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000891935276 582740524 /nfs/dbraw/zinc/74/05/24/582740524.db2.gz ZTJRBNBZTRNCOR-LBPRGKRZSA-N 1 2 246.358 2.417 20 30 BEEDLO C#CC[NH+](CC#C)Cc1c(C)nn(C(C)C)c1C ZINC000892058992 582778781 /nfs/dbraw/zinc/77/87/81/582778781.db2.gz QJXDMEUWMGELKC-UHFFFAOYSA-N 1 2 243.354 2.149 20 30 BEEDLO C=CC[C@@H](CO)CNc1cc(CC)[nH+]c(CC)n1 ZINC000893096024 583048731 /nfs/dbraw/zinc/04/87/31/583048731.db2.gz AJKSUEFKXDMNQU-LLVKDONJSA-N 1 2 249.358 2.198 20 30 BEEDLO C=CC[C@@H](CO)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893163942 583060946 /nfs/dbraw/zinc/06/09/46/583060946.db2.gz YRRSQUOLVYSVQB-LBPRGKRZSA-N 1 2 247.342 2.401 20 30 BEEDLO Cc1ccc(C[N@@H+](CCC#N)CC(C)C)nn1 ZINC000840908183 583112444 /nfs/dbraw/zinc/11/24/44/583112444.db2.gz PJHUAYURLLWZSV-UHFFFAOYSA-N 1 2 232.331 2.157 20 30 BEEDLO Cc1ccc(C[N@H+](CCC#N)CC(C)C)nn1 ZINC000840908183 583112445 /nfs/dbraw/zinc/11/24/45/583112445.db2.gz PJHUAYURLLWZSV-UHFFFAOYSA-N 1 2 232.331 2.157 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1cn(C)nc1Cl ZINC000857011374 588881973 /nfs/dbraw/zinc/88/19/73/588881973.db2.gz CQSBBEHDMOGTMI-UHFFFAOYSA-N 1 2 227.739 2.472 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1cn(C)nc1Cl ZINC000857011374 588881974 /nfs/dbraw/zinc/88/19/74/588881974.db2.gz CQSBBEHDMOGTMI-UHFFFAOYSA-N 1 2 227.739 2.472 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(C)cnc1Cl ZINC000894060169 583291385 /nfs/dbraw/zinc/29/13/85/583291385.db2.gz PLKHSCCEABGCGD-SNVBAGLBSA-N 1 2 222.719 2.497 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)cnc1Cl ZINC000894060169 583291386 /nfs/dbraw/zinc/29/13/86/583291386.db2.gz PLKHSCCEABGCGD-SNVBAGLBSA-N 1 2 222.719 2.497 20 30 BEEDLO C=CC(C)(C)CNc1cc(N(C)C)nc[nH+]1 ZINC000894058274 583291650 /nfs/dbraw/zinc/29/16/50/583291650.db2.gz NAPRSUHACRDOIM-UHFFFAOYSA-N 1 2 220.320 2.167 20 30 BEEDLO C=CC(C)(C)CNc1cc(N(C)C)[nH+]cn1 ZINC000894058274 583291654 /nfs/dbraw/zinc/29/16/54/583291654.db2.gz NAPRSUHACRDOIM-UHFFFAOYSA-N 1 2 220.320 2.167 20 30 BEEDLO Cn1cc(C[NH2+]CCC#N)c(C2CCCC2)n1 ZINC000894081728 583294168 /nfs/dbraw/zinc/29/41/68/583294168.db2.gz ASQODUXMNCMIMV-UHFFFAOYSA-N 1 2 232.331 2.081 20 30 BEEDLO Cc1ccc2[nH+]cc(C=NOCC3CC3)n2c1 ZINC000814242194 583350507 /nfs/dbraw/zinc/35/05/07/583350507.db2.gz VGDYOSLDYUQFIW-UHFFFAOYSA-N 1 2 229.283 2.403 20 30 BEEDLO C#C[C@H](C)[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000894384852 583443687 /nfs/dbraw/zinc/44/36/87/583443687.db2.gz XIAPAEVUWPHJJQ-LURJTMIESA-N 1 2 234.246 2.273 20 30 BEEDLO C#C[C@H]([NH2+]Cc1nnc(C2CC2)s1)C(C)C ZINC000894386945 583444397 /nfs/dbraw/zinc/44/43/97/583444397.db2.gz GDYPPEKBBCAJOR-JTQLQIEISA-N 1 2 235.356 2.163 20 30 BEEDLO Cc1n[nH]c(C[N@@H+]2CCC[C@](C)(C#N)C2)c1C ZINC000894443384 583460333 /nfs/dbraw/zinc/46/03/33/583460333.db2.gz GFUQHDLFUDTDQU-CYBMUJFWSA-N 1 2 232.331 2.152 20 30 BEEDLO Cc1n[nH]c(C[N@H+]2CCC[C@](C)(C#N)C2)c1C ZINC000894443384 583460337 /nfs/dbraw/zinc/46/03/37/583460337.db2.gz GFUQHDLFUDTDQU-CYBMUJFWSA-N 1 2 232.331 2.152 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000894469634 583468862 /nfs/dbraw/zinc/46/88/62/583468862.db2.gz OHPFTPUGDGVVLA-SNVBAGLBSA-N 1 2 220.320 2.315 20 30 BEEDLO N#CC1(C[NH2+]Cc2nccn2C2CC2)CCC1 ZINC000894966817 583559697 /nfs/dbraw/zinc/55/96/97/583559697.db2.gz OWWQUMMPKIFRFU-UHFFFAOYSA-N 1 2 230.315 2.001 20 30 BEEDLO N#CC1(CNCc2[nH+]ccn2C2CC2)CCC1 ZINC000894966817 583559699 /nfs/dbraw/zinc/55/96/99/583559699.db2.gz OWWQUMMPKIFRFU-UHFFFAOYSA-N 1 2 230.315 2.001 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](C)CC1)C(=O)OC ZINC000894985677 583564620 /nfs/dbraw/zinc/56/46/20/583564620.db2.gz MMKCRADKGDGQHJ-XQQFMLRXSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H](C)CC1)C(=O)OC ZINC000894985675 583564682 /nfs/dbraw/zinc/56/46/82/583564682.db2.gz MMKCRADKGDGQHJ-AVGNSLFASA-N 1 2 237.343 2.110 20 30 BEEDLO N#CC1(C[NH2+]Cc2nccn2C2CC2)CCCC1 ZINC000895140764 583603094 /nfs/dbraw/zinc/60/30/94/583603094.db2.gz GUXWDMMEHZCINL-UHFFFAOYSA-N 1 2 244.342 2.392 20 30 BEEDLO C=CC(C)(C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000895411632 583666729 /nfs/dbraw/zinc/66/67/29/583666729.db2.gz PGNSJWCRFJTMAG-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895450562 583675845 /nfs/dbraw/zinc/67/58/45/583675845.db2.gz KNJIOEARXQBFTD-AWEZNQCLSA-N 1 2 244.342 2.344 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895450562 583675847 /nfs/dbraw/zinc/67/58/47/583675847.db2.gz KNJIOEARXQBFTD-AWEZNQCLSA-N 1 2 244.342 2.344 20 30 BEEDLO Cn1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1C1CC1 ZINC000895451570 583676455 /nfs/dbraw/zinc/67/64/55/583676455.db2.gz YVKBWBRHIYMNOV-AWEZNQCLSA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)c1C1CC1 ZINC000895451570 583676458 /nfs/dbraw/zinc/67/64/58/583676458.db2.gz YVKBWBRHIYMNOV-AWEZNQCLSA-N 1 2 244.342 2.033 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(O)c(F)c2)C1 ZINC000895451566 583676660 /nfs/dbraw/zinc/67/66/60/583676660.db2.gz YLHWDMGUIBBDOR-ZDUSSCGKSA-N 1 2 234.274 2.267 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(O)c(F)c2)C1 ZINC000895451566 583676661 /nfs/dbraw/zinc/67/66/61/583676661.db2.gz YLHWDMGUIBBDOR-ZDUSSCGKSA-N 1 2 234.274 2.267 20 30 BEEDLO C=C(C)C[C@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000883007380 583685789 /nfs/dbraw/zinc/68/57/89/583685789.db2.gz TVLACTIAVKOSFZ-LLVKDONJSA-N 1 2 233.315 2.093 20 30 BEEDLO Cc1cc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c(C#N)c[nH+]1 ZINC000895536796 583686866 /nfs/dbraw/zinc/68/68/66/583686866.db2.gz IKIRYVHVIOGSLD-PKINLEFWSA-N 1 2 227.311 2.140 20 30 BEEDLO CC(C)OC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000895951042 583751463 /nfs/dbraw/zinc/75/14/63/583751463.db2.gz BHKLHOYAUDANBG-UHFFFAOYSA-N 1 2 230.311 2.167 20 30 BEEDLO CC(C)OC1C[NH+](Cc2cc(C#N)cs2)C1 ZINC000895954810 583752106 /nfs/dbraw/zinc/75/21/06/583752106.db2.gz HQDSYIUSCLUEML-UHFFFAOYSA-N 1 2 236.340 2.229 20 30 BEEDLO Cc1cc(N[C@@H]2CCS[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000896248518 583786247 /nfs/dbraw/zinc/78/62/47/583786247.db2.gz LFMQLLFIJFOMSO-CMPLNLGQSA-N 1 2 247.367 2.380 20 30 BEEDLO COc1ccsc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896501199 583807487 /nfs/dbraw/zinc/80/74/87/583807487.db2.gz FSYCWFIYCHYTOP-JTQLQIEISA-N 1 2 236.340 2.492 20 30 BEEDLO COc1ccsc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896501199 583807490 /nfs/dbraw/zinc/80/74/90/583807490.db2.gz FSYCWFIYCHYTOP-JTQLQIEISA-N 1 2 236.340 2.492 20 30 BEEDLO N#C[C@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000896507162 583808284 /nfs/dbraw/zinc/80/82/84/583808284.db2.gz YTXCUGPUNQMZRG-GFCCVEGCSA-N 1 2 240.310 2.070 20 30 BEEDLO C=C1CC(C)(c2noc(Cc3c[nH+]cn3C)n2)C1 ZINC000896919839 583857401 /nfs/dbraw/zinc/85/74/01/583857401.db2.gz BIUFGGNHEDYMFM-UHFFFAOYSA-N 1 2 244.298 2.002 20 30 BEEDLO Oc1cccc(/C=[NH+]/CCC[C@@H]2CCOC2)c1O ZINC000840710981 583872931 /nfs/dbraw/zinc/87/29/31/583872931.db2.gz TVECIPUVFFIVRH-BTAWCLGRSA-N 1 2 249.310 2.333 20 30 BEEDLO C#C[C@@H]1CCCCN1c1ccc([C@@H](C)O)c[nH+]1 ZINC000897360216 583938548 /nfs/dbraw/zinc/93/85/48/583938548.db2.gz AWJZHMBMXWTKHF-DGCLKSJQSA-N 1 2 230.311 2.127 20 30 BEEDLO C=CCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897608435 584029130 /nfs/dbraw/zinc/02/91/30/584029130.db2.gz PMFJTONQKOXYDP-UHFFFAOYSA-N 1 2 235.331 2.009 20 30 BEEDLO CO[C@@H](C)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866253586 584116956 /nfs/dbraw/zinc/11/69/56/584116956.db2.gz DFFIPUJGBIEVMG-QWRGUYRKSA-N 1 2 248.326 2.339 20 30 BEEDLO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866335332 584117938 /nfs/dbraw/zinc/11/79/38/584117938.db2.gz IGRCZLBQLIYFKG-VWYCJHECSA-N 1 2 248.326 2.074 20 30 BEEDLO C=CC(C)(C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000898809987 584159921 /nfs/dbraw/zinc/15/99/21/584159921.db2.gz GLTNKFXTXXNLMB-JTQLQIEISA-N 1 2 233.315 2.046 20 30 BEEDLO C=CC(C)(C)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000900786425 584351446 /nfs/dbraw/zinc/35/14/46/584351446.db2.gz LQHWUKOTDFXBCB-LBPRGKRZSA-N 1 2 249.358 2.238 20 30 BEEDLO C#CC[C@@H](CCOC)Nc1cc[nH+]c(C2CC2)n1 ZINC000858856115 588979454 /nfs/dbraw/zinc/97/94/54/588979454.db2.gz CDUVKRWMJXBCGL-LBPRGKRZSA-N 1 2 245.326 2.194 20 30 BEEDLO CCn1c[nH+]c(CN=Nc2cc(C)ccn2)c1 ZINC000901198265 584398451 /nfs/dbraw/zinc/39/84/51/584398451.db2.gz JVDPONRDZSCWTO-UHFFFAOYSA-N 1 2 229.287 2.052 20 30 BEEDLO CC[C@@H](C)C=[NH+]n1nnc2c1CCCC2 ZINC000901331038 584424934 /nfs/dbraw/zinc/42/49/34/584424934.db2.gz INCHNVBASSQUCF-SECBINFHSA-N 1 2 206.293 2.037 20 30 BEEDLO CC(C)c1c[nH]c(C=CC(=O)c2cnn(C)c2)[nH+]1 ZINC000901465721 584451238 /nfs/dbraw/zinc/45/12/38/584451238.db2.gz VTOCEOZZVJTPLH-PLNGDYQASA-N 1 2 244.298 2.163 20 30 BEEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1cnn(C)c1 ZINC000901464079 584451315 /nfs/dbraw/zinc/45/13/15/584451315.db2.gz FNFJYHFBHLRSFP-PLNGDYQASA-N 1 2 244.298 2.094 20 30 BEEDLO CC(C)c1c[nH]c(C=CC(=O)c2ccn(C)n2)[nH+]1 ZINC000901542477 584460967 /nfs/dbraw/zinc/46/09/67/584460967.db2.gz FHCUYEHQGKSKGI-SNAWJCMRSA-N 1 2 244.298 2.163 20 30 BEEDLO O=C(/C=C\c1cn(C2CC2)c[nH+]1)c1ncco1 ZINC000901517249 584461977 /nfs/dbraw/zinc/46/19/77/584461977.db2.gz YNBSZEMFJCTIFS-RJRFIUFISA-N 1 2 229.239 2.102 20 30 BEEDLO Cc1[nH]c(CNc2cc(C#N)cc(C)n2)[nH+]c1C ZINC000902217232 584539472 /nfs/dbraw/zinc/53/94/72/584539472.db2.gz HFDNZFWWQAHIJC-UHFFFAOYSA-N 1 2 241.298 2.214 20 30 BEEDLO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)c2nccn21 ZINC000903035413 584718931 /nfs/dbraw/zinc/71/89/31/584718931.db2.gz OTDSQDVQUQKOHS-GHMZBOCLSA-N 1 2 230.315 2.172 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(C#N)ccn1 ZINC000903034904 584719041 /nfs/dbraw/zinc/71/90/41/584719041.db2.gz DZHLCYYOIBDRTD-NSHDSACASA-N 1 2 240.310 2.298 20 30 BEEDLO CCn1ccnc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903035510 584719151 /nfs/dbraw/zinc/71/91/51/584719151.db2.gz QNUQRZILDISCTR-LLVKDONJSA-N 1 2 232.331 2.247 20 30 BEEDLO N#CC1(C[NH2+][C@H]2CCCn3ccnc32)CCC1 ZINC000903034925 584719154 /nfs/dbraw/zinc/71/91/54/584719154.db2.gz FZWYIHZJYOVAFT-NSHDSACASA-N 1 2 230.315 2.001 20 30 BEEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1cc2n(n1)CCCC2 ZINC000903101753 584727249 /nfs/dbraw/zinc/72/72/49/584727249.db2.gz LSTYQUOPVWRKJZ-LLVKDONJSA-N 1 2 246.358 2.420 20 30 BEEDLO C=CCCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904258002 584859190 /nfs/dbraw/zinc/85/91/90/584859190.db2.gz IBCIWIUWKPCERU-UHFFFAOYSA-N 1 2 230.271 2.141 20 30 BEEDLO Cc1cc(C(=O)/C=C/c2[nH]cc[nH+]2)ccc1O ZINC000731158481 584923103 /nfs/dbraw/zinc/92/31/03/584923103.db2.gz AXNGDCYIJCPXIY-SNAWJCMRSA-N 1 2 228.251 2.320 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000755461513 584953457 /nfs/dbraw/zinc/95/34/57/584953457.db2.gz DEVNTMRRDPSGQL-UHFFFAOYSA-N 1 2 245.242 2.072 20 30 BEEDLO CCCO[NH+]=C1CCCc2nc(N)sc21 ZINC000842551927 584979507 /nfs/dbraw/zinc/97/95/07/584979507.db2.gz VJMFEVVUJCGOHY-UHFFFAOYSA-N 1 2 225.317 2.192 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](CCC)CCC=C)C(=O)OC ZINC000839166776 585095434 /nfs/dbraw/zinc/09/54/34/585095434.db2.gz AXDQGEQPODLAAX-STQMWFEESA-N 1 2 237.343 2.276 20 30 BEEDLO C#CC[C@H]([NH2+][C@H]1CCCCC1(C)C)C(=O)OC ZINC000839166832 585095546 /nfs/dbraw/zinc/09/55/46/585095546.db2.gz BGKNRCDEYAMFME-RYUDHWBXSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](CC)C1)C(=O)OC ZINC000839168304 585095602 /nfs/dbraw/zinc/09/56/02/585095602.db2.gz JNDPHHMLDPBATK-AGIUHOORSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](CC)CCCC)C(=O)OC ZINC000839168443 585095639 /nfs/dbraw/zinc/09/56/39/585095639.db2.gz KRKPJAMVILQPSA-RYUDHWBXSA-N 1 2 225.332 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@H]1CCCC12CCCC2)C(=O)OC ZINC000839169346 585096064 /nfs/dbraw/zinc/09/60/64/585096064.db2.gz RMWZLROGZFWZOD-STQMWFEESA-N 1 2 249.354 2.254 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](C)C1CCCCC1)C(=O)OC ZINC000839170484 585096500 /nfs/dbraw/zinc/09/65/00/585096500.db2.gz ZYGUKRWZJJFOSL-YPMHNXCESA-N 1 2 237.343 2.110 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1coc2ccccc12 ZINC000839187003 585097047 /nfs/dbraw/zinc/09/70/47/585097047.db2.gz XELJNYWBVUOSDE-ZDUSSCGKSA-N 1 2 241.290 2.267 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1coc2ccccc12 ZINC000839187003 585097048 /nfs/dbraw/zinc/09/70/48/585097048.db2.gz XELJNYWBVUOSDE-ZDUSSCGKSA-N 1 2 241.290 2.267 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(CC)cc1 ZINC000839186679 585097106 /nfs/dbraw/zinc/09/71/06/585097106.db2.gz PGWNXVISXGTUFL-HNNXBMFYSA-N 1 2 229.323 2.083 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(CC)cc1 ZINC000839186679 585097107 /nfs/dbraw/zinc/09/71/07/585097107.db2.gz PGWNXVISXGTUFL-HNNXBMFYSA-N 1 2 229.323 2.083 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC000839186323 585097137 /nfs/dbraw/zinc/09/71/37/585097137.db2.gz HPQYRRNHBNGDGQ-INIZCTEOSA-N 1 2 241.334 2.009 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000839186323 585097138 /nfs/dbraw/zinc/09/71/38/585097138.db2.gz HPQYRRNHBNGDGQ-INIZCTEOSA-N 1 2 241.334 2.009 20 30 BEEDLO C=CCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000740244487 585100102 /nfs/dbraw/zinc/10/01/02/585100102.db2.gz FASOFPSGDNEXKS-UHFFFAOYSA-N 1 2 216.240 2.067 20 30 BEEDLO C=CC[N@H+](Cc1cccs1)[C@H]1CCOC1=O ZINC000839454755 585104595 /nfs/dbraw/zinc/10/45/95/585104595.db2.gz BOCQUEMKPVOMBD-NSHDSACASA-N 1 2 237.324 2.052 20 30 BEEDLO C=CC[N@@H+](Cc1cccs1)[C@H]1CCOC1=O ZINC000839454755 585104596 /nfs/dbraw/zinc/10/45/96/585104596.db2.gz BOCQUEMKPVOMBD-NSHDSACASA-N 1 2 237.324 2.052 20 30 BEEDLO Cc1ccccc1[C@H](O)C[N@@H+](C)C[C@@H](C)C#N ZINC000741785186 585117735 /nfs/dbraw/zinc/11/77/35/585117735.db2.gz WVNCBTZZAGBDRP-SMDDNHRTSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1ccccc1[C@H](O)C[N@H+](C)C[C@@H](C)C#N ZINC000741785186 585117736 /nfs/dbraw/zinc/11/77/36/585117736.db2.gz WVNCBTZZAGBDRP-SMDDNHRTSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1cc(C)cc([C@@H](O)C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000743843944 585140231 /nfs/dbraw/zinc/14/02/31/585140231.db2.gz HFFKBDRVPRDROJ-HIFRSBDPSA-N 1 2 246.354 2.428 20 30 BEEDLO Cc1cc(C)cc([C@@H](O)C[N@H+](C)C[C@H](C)C#N)c1 ZINC000743843944 585140232 /nfs/dbraw/zinc/14/02/32/585140232.db2.gz HFFKBDRVPRDROJ-HIFRSBDPSA-N 1 2 246.354 2.428 20 30 BEEDLO C=CCCCOC(=O)Cc1cn2ccccc2[nH+]1 ZINC000747140662 585175463 /nfs/dbraw/zinc/17/54/63/585175463.db2.gz XTHZKFPXYAUQTR-UHFFFAOYSA-N 1 2 244.294 2.386 20 30 BEEDLO C=C[C@@H](C)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750388828 585214016 /nfs/dbraw/zinc/21/40/16/585214016.db2.gz GEDBGQGFURFCKV-SECBINFHSA-N 1 2 248.330 2.152 20 30 BEEDLO CC1CC(/[NH+]=C\c2cccc(O)c2O)C1 ZINC000751890946 585238562 /nfs/dbraw/zinc/23/85/62/585238562.db2.gz QEEBJHSZMSIPKL-QPEQYQDCSA-N 1 2 205.257 2.315 20 30 BEEDLO CC1CC(/[NH+]=C/c2cccc(O)c2O)C1 ZINC000751890945 585238602 /nfs/dbraw/zinc/23/86/02/585238602.db2.gz QEEBJHSZMSIPKL-NTUHNPAUSA-N 1 2 205.257 2.315 20 30 BEEDLO CC(CC1CCC1)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753934534 585272118 /nfs/dbraw/zinc/27/21/18/585272118.db2.gz JAUIMIXEUMQNQF-CHWSQXEVSA-N 1 2 248.374 2.413 20 30 BEEDLO CC(CC1CCC1)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753934535 585272159 /nfs/dbraw/zinc/27/21/59/585272159.db2.gz JAUIMIXEUMQNQF-STQMWFEESA-N 1 2 248.374 2.413 20 30 BEEDLO CC(N=NC1=[NH+][C@H]2CCCC[C@@H]2N1)C1CCC1 ZINC000753936701 585272404 /nfs/dbraw/zinc/27/24/04/585272404.db2.gz AKZNZXHEEVAYHU-RYUDHWBXSA-N 1 2 234.347 2.022 20 30 BEEDLO CCC(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)C1CC1 ZINC000753935693 585272424 /nfs/dbraw/zinc/27/24/24/585272424.db2.gz PADAFEWWLVAEKM-VXGBXAGGSA-N 1 2 234.347 2.022 20 30 BEEDLO CCC(N=NC1=[NH+][C@H]2CCCC[C@@H]2N1)C1CC1 ZINC000753935688 585272575 /nfs/dbraw/zinc/27/25/75/585272575.db2.gz PADAFEWWLVAEKM-RYUDHWBXSA-N 1 2 234.347 2.022 20 30 BEEDLO Cc1ncc(CO)c(/C=[NH+]\CCC2CCC2)c1O ZINC000755031425 585293482 /nfs/dbraw/zinc/29/34/82/585293482.db2.gz IYZNCYIPSWKYQY-NVNXTCNLSA-N 1 2 248.326 2.197 20 30 BEEDLO Cc1[nH]c[nH+]c1CN=Nc1ccc(F)cc1F ZINC000755463607 585299965 /nfs/dbraw/zinc/29/99/65/585299965.db2.gz GMNMBBOISRSURQ-UHFFFAOYSA-N 1 2 236.225 2.442 20 30 BEEDLO Cc1[nH]c[nH+]c1CN=Nc1ccccc1F ZINC000755628777 585302702 /nfs/dbraw/zinc/30/27/02/585302702.db2.gz LUCUCQSORCXWCD-UHFFFAOYSA-N 1 2 218.235 2.303 20 30 BEEDLO Cc1[nH+]c[nH]c1CN=Nc1c(F)cccc1F ZINC000755732005 585304897 /nfs/dbraw/zinc/30/48/97/585304897.db2.gz CKYQJKSRUUABJW-UHFFFAOYSA-N 1 2 236.225 2.442 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNCc1ccc(Cl)cc1 ZINC000755774934 585306819 /nfs/dbraw/zinc/30/68/19/585306819.db2.gz XHHLHGRGSYCEOY-UHFFFAOYSA-N 1 2 248.717 2.495 20 30 BEEDLO Cc1cccc(C)c1C=[NH+][N-]c1[nH+]ccn1C ZINC000790300240 585395298 /nfs/dbraw/zinc/39/52/98/585395298.db2.gz PUPOEGPRSCHSRB-UHFFFAOYSA-N 1 2 228.299 2.483 20 30 BEEDLO Cc1cccc(C)c1C=NNc1[nH+]ccn1C ZINC000790300240 585395299 /nfs/dbraw/zinc/39/52/99/585395299.db2.gz PUPOEGPRSCHSRB-UHFFFAOYSA-N 1 2 228.299 2.483 20 30 BEEDLO CCc1cnccc1C(C)=NNc1[nH+]ccn1C ZINC000790305124 585417579 /nfs/dbraw/zinc/41/75/79/585417579.db2.gz AAFPCGYODZZOOS-UHFFFAOYSA-N 1 2 243.314 2.214 20 30 BEEDLO CCCCCN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761858754 585420514 /nfs/dbraw/zinc/42/05/14/585420514.db2.gz ZBFWRFPBIIEEMH-UHFFFAOYSA-N 1 2 244.302 2.250 20 30 BEEDLO CCCC(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761861117 585420534 /nfs/dbraw/zinc/42/05/34/585420534.db2.gz VIBVQUYUZIFTFR-UHFFFAOYSA-N 1 2 244.302 2.250 20 30 BEEDLO N#Cc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)s1 ZINC000762441913 585432279 /nfs/dbraw/zinc/43/22/79/585432279.db2.gz DIULBHVMAGXYCP-DUXPYHPUSA-N 1 2 229.264 2.239 20 30 BEEDLO Nc1ncccc1C=[NH+]Nc1ccc(F)cc1F ZINC000764639098 585469784 /nfs/dbraw/zinc/46/97/84/585469784.db2.gz CNIAHRMGGDFWTP-UHFFFAOYSA-N 1 2 248.236 2.388 20 30 BEEDLO C#CCC(C)(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000767091062 585513953 /nfs/dbraw/zinc/51/39/53/585513953.db2.gz HYOFJGFSSPTVJG-UHFFFAOYSA-N 1 2 241.294 2.322 20 30 BEEDLO CCOC(C[N@H+](C[C@@H](C)C#N)C1CC1)OCC ZINC000767809898 585526396 /nfs/dbraw/zinc/52/63/96/585526396.db2.gz AKJUAKOBWBMGQY-NSHDSACASA-N 1 2 240.347 2.010 20 30 BEEDLO CCOC(C[N@@H+](C[C@@H](C)C#N)C1CC1)OCC ZINC000767809898 585526397 /nfs/dbraw/zinc/52/63/97/585526397.db2.gz AKJUAKOBWBMGQY-NSHDSACASA-N 1 2 240.347 2.010 20 30 BEEDLO CCOC(C[N@@H+]1CCC[C@@](C)(C#N)C1)OCC ZINC000767837144 585526839 /nfs/dbraw/zinc/52/68/39/585526839.db2.gz RGOIMKWACOVMHP-ZDUSSCGKSA-N 1 2 240.347 2.011 20 30 BEEDLO CCOC(C[N@H+]1CCC[C@@](C)(C#N)C1)OCC ZINC000767837144 585526840 /nfs/dbraw/zinc/52/68/40/585526840.db2.gz RGOIMKWACOVMHP-ZDUSSCGKSA-N 1 2 240.347 2.011 20 30 BEEDLO Oc1cccc(/C=[NH+]/CCc2cscn2)c1O ZINC000767866454 585527056 /nfs/dbraw/zinc/52/70/56/585527056.db2.gz SXQRICZITJBPKN-AWNIVKPZSA-N 1 2 248.307 2.216 20 30 BEEDLO Cc1nn(C)cc1C[N@@H+](CCC#N)CC(C)C ZINC000768153330 585533257 /nfs/dbraw/zinc/53/32/57/585533257.db2.gz DDRZSHWLCFDFCB-UHFFFAOYSA-N 1 2 234.347 2.100 20 30 BEEDLO Cc1nn(C)cc1C[N@H+](CCC#N)CC(C)C ZINC000768153330 585533258 /nfs/dbraw/zinc/53/32/58/585533258.db2.gz DDRZSHWLCFDFCB-UHFFFAOYSA-N 1 2 234.347 2.100 20 30 BEEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)c(C)o1 ZINC000768876056 585545113 /nfs/dbraw/zinc/54/51/13/585545113.db2.gz CAWDLGOSCOZWHX-SECBINFHSA-N 1 2 206.289 2.488 20 30 BEEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)c(C)o1 ZINC000768876056 585545114 /nfs/dbraw/zinc/54/51/14/585545114.db2.gz CAWDLGOSCOZWHX-SECBINFHSA-N 1 2 206.289 2.488 20 30 BEEDLO Cc1cccc(F)c1NN=Cc1c[nH+]cn1C ZINC000769827840 585564856 /nfs/dbraw/zinc/56/48/56/585564856.db2.gz NNPHWRBNTOZFMU-UHFFFAOYSA-N 1 2 232.262 2.314 20 30 BEEDLO C=CC[N@@H+](Cn1ncc(Cl)c1C)C1CC1 ZINC000771639115 585598083 /nfs/dbraw/zinc/59/80/83/585598083.db2.gz FIKBPNJCWVXQOS-UHFFFAOYSA-N 1 2 225.723 2.453 20 30 BEEDLO C=CC[N@H+](Cn1ncc(Cl)c1C)C1CC1 ZINC000771639115 585598084 /nfs/dbraw/zinc/59/80/84/585598084.db2.gz FIKBPNJCWVXQOS-UHFFFAOYSA-N 1 2 225.723 2.453 20 30 BEEDLO C=CC[N@H+](CN1C(=O)[C@H]2CCCCC[C@H]21)C1CC1 ZINC000771641745 585598177 /nfs/dbraw/zinc/59/81/77/585598177.db2.gz ZHUSBKSLMWUODN-UONOGXRCSA-N 1 2 248.370 2.385 20 30 BEEDLO C=CC[N@@H+](CN1C(=O)[C@H]2CCCCC[C@H]21)C1CC1 ZINC000771641745 585598178 /nfs/dbraw/zinc/59/81/78/585598178.db2.gz ZHUSBKSLMWUODN-UONOGXRCSA-N 1 2 248.370 2.385 20 30 BEEDLO C=C(C)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000771654774 585598778 /nfs/dbraw/zinc/59/87/78/585598778.db2.gz QRPIICJKAAHSJB-UHFFFAOYSA-N 1 2 208.236 2.039 20 30 BEEDLO COc1ccc(C[N@H+](CCC#N)CC(C)C)nc1 ZINC000775975630 585688575 /nfs/dbraw/zinc/68/85/75/585688575.db2.gz HNAANUMPYJLHNT-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO COc1ccc(C[N@@H+](CCC#N)CC(C)C)nc1 ZINC000775975630 585688576 /nfs/dbraw/zinc/68/85/76/585688576.db2.gz HNAANUMPYJLHNT-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO Cc1cc[nH+]cc1CCCN=Nc1ncccn1 ZINC000776724339 585703473 /nfs/dbraw/zinc/70/34/73/585703473.db2.gz QTGNOCZLPPRTOA-UHFFFAOYSA-N 1 2 241.298 2.211 20 30 BEEDLO Cc1cc[nH+]cc1CCCN=Nc1ccncc1 ZINC000776734062 585703605 /nfs/dbraw/zinc/70/36/05/585703605.db2.gz NXMXLYIPSDUSTJ-UHFFFAOYSA-N 1 2 240.310 2.237 20 30 BEEDLO C=CC[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000778167968 585726735 /nfs/dbraw/zinc/72/67/35/585726735.db2.gz YCARIWDHWPJVEQ-UHFFFAOYSA-N 1 2 247.273 2.494 20 30 BEEDLO C=CC[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000778167968 585726736 /nfs/dbraw/zinc/72/67/36/585726736.db2.gz YCARIWDHWPJVEQ-UHFFFAOYSA-N 1 2 247.273 2.494 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000779166205 585745535 /nfs/dbraw/zinc/74/55/35/585745535.db2.gz UNEFBTRIXGKTGQ-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO C[C@H](/[NH+]=C/c1cccc(O)c1O)[C@H]1CCCOC1 ZINC000779707252 585759341 /nfs/dbraw/zinc/75/93/41/585759341.db2.gz LNWHDVQUFLZCAZ-XNBXCYNHSA-N 1 2 249.310 2.332 20 30 BEEDLO C#CCCCCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000780017250 585771653 /nfs/dbraw/zinc/77/16/53/585771653.db2.gz YKFFHUMAMKIIFJ-UHFFFAOYSA-N 1 2 230.311 2.334 20 30 BEEDLO C=CCCO[NH+]=C(N)COc1cccc(F)c1 ZINC000780135916 585773084 /nfs/dbraw/zinc/77/30/84/585773084.db2.gz SENUGHAFFWOZFH-UHFFFAOYSA-N 1 2 238.262 2.279 20 30 BEEDLO C#CCOCCNc1[nH+]ccc2ccc(F)cc21 ZINC000784241360 585853229 /nfs/dbraw/zinc/85/32/29/585853229.db2.gz NDUKWTJOVHYXCK-UHFFFAOYSA-N 1 2 244.269 2.436 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)OCC(C)C ZINC000785996600 585884996 /nfs/dbraw/zinc/88/49/96/585884996.db2.gz FQHQDNBHAXHHBV-GFCCVEGCSA-N 1 2 225.332 2.226 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)OCC(C)C ZINC000785996600 585884997 /nfs/dbraw/zinc/88/49/97/585884997.db2.gz FQHQDNBHAXHHBV-GFCCVEGCSA-N 1 2 225.332 2.226 20 30 BEEDLO C=CC[N@@H+](C)CN1C[C@H](CC(C)(C)C)CC1=O ZINC000787233433 585903652 /nfs/dbraw/zinc/90/36/52/585903652.db2.gz CZCGRHUAWNDMJZ-LBPRGKRZSA-N 1 2 238.375 2.346 20 30 BEEDLO C=CC[N@H+](C)CN1C[C@H](CC(C)(C)C)CC1=O ZINC000787233433 585903653 /nfs/dbraw/zinc/90/36/53/585903653.db2.gz CZCGRHUAWNDMJZ-LBPRGKRZSA-N 1 2 238.375 2.346 20 30 BEEDLO CC1(C)CCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000789033975 585933707 /nfs/dbraw/zinc/93/37/07/585933707.db2.gz LVOMXTZXKUDHBM-UWVGGRQHSA-N 1 2 234.347 2.022 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cc(O)ccc1Cl ZINC000859280154 589026815 /nfs/dbraw/zinc/02/68/15/589026815.db2.gz GXHLUKMDUFRNOV-VIFPVBQESA-N 1 2 223.703 2.499 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(O)ccc1Cl ZINC000859280154 589026817 /nfs/dbraw/zinc/02/68/17/589026817.db2.gz GXHLUKMDUFRNOV-VIFPVBQESA-N 1 2 223.703 2.499 20 30 BEEDLO Cc1cc(C=NNc2[nH+]ccn2C)c(C)o1 ZINC000790300121 585962677 /nfs/dbraw/zinc/96/26/77/585962677.db2.gz RZUQQQMVTMAXBZ-UHFFFAOYSA-N 1 2 218.260 2.076 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1ccc(F)c(F)c1 ZINC000790301761 585962951 /nfs/dbraw/zinc/96/29/51/585962951.db2.gz ICVAZLWPZHYIQW-UHFFFAOYSA-N 1 2 236.225 2.144 20 30 BEEDLO COc1ccc(C)cc1C=NNc1[nH+]ccn1C ZINC000790305208 585963515 /nfs/dbraw/zinc/96/35/15/585963515.db2.gz DVAUVDMXTPFGOZ-UHFFFAOYSA-N 1 2 244.298 2.183 20 30 BEEDLO C#C[C@@H](CCC)[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000790546616 585966152 /nfs/dbraw/zinc/96/61/52/585966152.db2.gz MJCZFMUKDLDOCE-QWHCGFSZSA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000792272440 585998654 /nfs/dbraw/zinc/99/86/54/585998654.db2.gz PRAKNTSUBIHDRJ-CQSZACIVSA-N 1 2 237.306 2.331 20 30 BEEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)C)ncn1 ZINC000794375677 586038811 /nfs/dbraw/zinc/03/88/11/586038811.db2.gz TUIWUUOJBNYETI-UHFFFAOYSA-N 1 2 232.331 2.157 20 30 BEEDLO Cc1cc(C[N@H+](CCC#N)CC(C)C)ncn1 ZINC000794375677 586038812 /nfs/dbraw/zinc/03/88/12/586038812.db2.gz TUIWUUOJBNYETI-UHFFFAOYSA-N 1 2 232.331 2.157 20 30 BEEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ncc[nH]1 ZINC000796760439 586111845 /nfs/dbraw/zinc/11/18/45/586111845.db2.gz DPHVDMVVEXUQLY-VIFPVBQESA-N 1 2 244.273 2.271 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccc(C#N)cc2)c1 ZINC000798232296 586141215 /nfs/dbraw/zinc/14/12/15/586141215.db2.gz QQVYTXWIJAQWJA-VOTSOKGWSA-N 1 2 237.262 2.188 20 30 BEEDLO CC(C)n1cc(C(=O)/C=C/c2cn(C)c[nH+]2)cn1 ZINC000798231611 586141315 /nfs/dbraw/zinc/14/13/15/586141315.db2.gz PCNLUWHYJSAULU-SNAWJCMRSA-N 1 2 244.298 2.094 20 30 BEEDLO C#C[C@H]([NH2+][C@H](CC(C)C)C(=O)OCC)C(C)C ZINC000798398461 586143411 /nfs/dbraw/zinc/14/34/11/586143411.db2.gz QEPGKTKYLGWCFE-QWHCGFSZSA-N 1 2 239.359 2.212 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCc2c(C)cccc2C1 ZINC000800337642 586212384 /nfs/dbraw/zinc/21/23/84/586212384.db2.gz CDBIYSJBPUKDDM-CQSZACIVSA-N 1 2 245.322 2.081 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCc2c(C)cccc2C1 ZINC000800337642 586212387 /nfs/dbraw/zinc/21/23/87/586212387.db2.gz CDBIYSJBPUKDDM-CQSZACIVSA-N 1 2 245.322 2.081 20 30 BEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(CC(C)C)CC1 ZINC000800353041 586212856 /nfs/dbraw/zinc/21/28/56/586212856.db2.gz OBXRNACWCACJRY-CYBMUJFWSA-N 1 2 239.359 2.472 20 30 BEEDLO Cc1cncc(C(=O)/C=C\c2cn(C)c[nH+]2)c1 ZINC000800795085 586229113 /nfs/dbraw/zinc/22/91/13/586229113.db2.gz YDJHEWLBODKPDC-ARJAWSKDSA-N 1 2 227.267 2.020 20 30 BEEDLO Cc1cccc2c1O/C(=C\c1cn(C)c[nH+]1)C2=O ZINC000800794066 586229466 /nfs/dbraw/zinc/22/94/66/586229466.db2.gz VHNWYBOXXBSTAH-SDQBBNPISA-N 1 2 240.262 2.345 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccnc(Cl)c2)c1 ZINC000800795069 586229596 /nfs/dbraw/zinc/22/95/96/586229596.db2.gz XVXROUVZNSDYAS-NSCUHMNNSA-N 1 2 247.685 2.365 20 30 BEEDLO CCC(CC)NN=C(C)c1cn(C)c(C)[nH+]1 ZINC000800813236 586231268 /nfs/dbraw/zinc/23/12/68/586231268.db2.gz UYGUBEFHLZTKFR-UHFFFAOYSA-N 1 2 222.336 2.231 20 30 BEEDLO Cc1[nH+]c(C(C)N=Nc2ncccc2C)cn1C ZINC000800816356 586232924 /nfs/dbraw/zinc/23/29/24/586232924.db2.gz JMPDWLILTIXGHG-UHFFFAOYSA-N 1 2 243.314 2.268 20 30 BEEDLO CC#CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000801150247 586243442 /nfs/dbraw/zinc/24/34/42/586243442.db2.gz PEHIFDCYAURWOQ-UHFFFAOYSA-N 1 2 225.251 2.039 20 30 BEEDLO C=CCC[C@H]([NH2+]Cc1cnn(C)n1)c1ccco1 ZINC000806165146 586407057 /nfs/dbraw/zinc/40/70/57/586407057.db2.gz DBNNBNSJKXFGGZ-LBPRGKRZSA-N 1 2 246.314 2.205 20 30 BEEDLO CC(C)C(=O)CC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000808740659 586486824 /nfs/dbraw/zinc/48/68/24/586486824.db2.gz WAWNCFHAJDCXFS-LLVKDONJSA-N 1 2 222.332 2.226 20 30 BEEDLO CC(C)C(=O)CC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000808740659 586486826 /nfs/dbraw/zinc/48/68/26/586486826.db2.gz WAWNCFHAJDCXFS-LLVKDONJSA-N 1 2 222.332 2.226 20 30 BEEDLO Cn1c[nH+]cc1C/N=C/c1cc(Cl)ccc1O ZINC000811624850 586562081 /nfs/dbraw/zinc/56/20/81/586562081.db2.gz UIYXBESJOSAGRO-LHHJGKSTSA-N 1 2 249.701 2.398 20 30 BEEDLO CC(=NOC/C=C/Cl)c1cn(C)c(C)[nH+]1 ZINC000811668794 586565139 /nfs/dbraw/zinc/56/51/39/586565139.db2.gz TWHNLUJTOURTIU-KITTXPBJSA-N 1 2 227.695 2.222 20 30 BEEDLO CN(C)c1ncc(C=[NH+]OC/C=C/Cl)s1 ZINC000811671992 586565738 /nfs/dbraw/zinc/56/57/38/586565738.db2.gz ZXARNDANWZMADE-KJNQHJQGSA-N 1 2 245.735 2.312 20 30 BEEDLO C#CCON=C(C)C[NH+]1Cc2ccccc2C1 ZINC000812233325 586570557 /nfs/dbraw/zinc/57/05/57/586570557.db2.gz WWVISKCTUFZVEF-UHFFFAOYSA-N 1 2 228.295 2.028 20 30 BEEDLO CCOCCC/[NH+]=C/c1c(O)cccc1OC ZINC000812391534 586575485 /nfs/dbraw/zinc/57/54/85/586575485.db2.gz JEPREXCLNIJOER-GXDHUFHOSA-N 1 2 237.299 2.246 20 30 BEEDLO C#CCON=C(C)c1ccc(C)[nH+]c1C ZINC000814936325 586654756 /nfs/dbraw/zinc/65/47/56/586654756.db2.gz KXDGBEJKHSXAPY-UHFFFAOYSA-N 1 2 202.257 2.072 20 30 BEEDLO C=CCC(F)(F)C(=O)OCCCn1cc[nH+]c1 ZINC000815313509 586678852 /nfs/dbraw/zinc/67/88/52/586678852.db2.gz JURDPJDKBWLDEA-UHFFFAOYSA-N 1 2 244.241 2.028 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cccc(O)c1Cl ZINC000816592989 586743198 /nfs/dbraw/zinc/74/31/98/586743198.db2.gz APFOLSIDGYKALJ-VIFPVBQESA-N 1 2 223.703 2.499 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cccc(O)c1Cl ZINC000816592989 586743200 /nfs/dbraw/zinc/74/32/00/586743200.db2.gz APFOLSIDGYKALJ-VIFPVBQESA-N 1 2 223.703 2.499 20 30 BEEDLO Cc1cc(Cl)nc(C[NH2+]CCC#N)c1 ZINC000819290627 586948781 /nfs/dbraw/zinc/94/87/81/586948781.db2.gz JXFYCDGCLPMEMP-UHFFFAOYSA-N 1 2 209.680 2.047 20 30 BEEDLO C=CCC1(C(=O)NC2=[NH+]C[C@H](C)S2)CCC1 ZINC000819779977 586993785 /nfs/dbraw/zinc/99/37/85/586993785.db2.gz CAUOXFPKHSDWLA-VIFPVBQESA-N 1 2 238.356 2.340 20 30 BEEDLO CC(C)n1c[nH+]cc1C=NNCCC(F)(F)F ZINC000819809995 586996774 /nfs/dbraw/zinc/99/67/74/586996774.db2.gz VDVSOTLSDVMKNE-UHFFFAOYSA-N 1 2 248.252 2.340 20 30 BEEDLO C=CC[N@H+](Cc1nc(C(F)F)no1)C(C)C ZINC000822583136 587176629 /nfs/dbraw/zinc/17/66/29/587176629.db2.gz JJAMVIITYUIDKC-UHFFFAOYSA-N 1 2 231.246 2.404 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C(F)F)no1)C(C)C ZINC000822583136 587176630 /nfs/dbraw/zinc/17/66/30/587176630.db2.gz JJAMVIITYUIDKC-UHFFFAOYSA-N 1 2 231.246 2.404 20 30 BEEDLO C[N@@H+](CC#N)CC[C@@H]1CC1(Cl)Cl ZINC000822602500 587176806 /nfs/dbraw/zinc/17/68/06/587176806.db2.gz LPJZQLUCVDZXOJ-SSDOTTSWSA-N 1 2 207.104 2.026 20 30 BEEDLO C[N@H+](CC#N)CC[C@@H]1CC1(Cl)Cl ZINC000822602500 587176808 /nfs/dbraw/zinc/17/68/08/587176808.db2.gz LPJZQLUCVDZXOJ-SSDOTTSWSA-N 1 2 207.104 2.026 20 30 BEEDLO C[N@@H+](CC#N)CC[C@H]1CC1(Cl)Cl ZINC000822602501 587176850 /nfs/dbraw/zinc/17/68/50/587176850.db2.gz LPJZQLUCVDZXOJ-ZETCQYMHSA-N 1 2 207.104 2.026 20 30 BEEDLO C[N@H+](CC#N)CC[C@H]1CC1(Cl)Cl ZINC000822602501 587176851 /nfs/dbraw/zinc/17/68/51/587176851.db2.gz LPJZQLUCVDZXOJ-ZETCQYMHSA-N 1 2 207.104 2.026 20 30 BEEDLO CC(C)C[N@H+](CCC#N)Cc1cnn2c1CCC2 ZINC000824503484 587272202 /nfs/dbraw/zinc/27/22/02/587272202.db2.gz UCNRSQZDULKZTR-UHFFFAOYSA-N 1 2 246.358 2.201 20 30 BEEDLO CC(C)C[N@@H+](CCC#N)Cc1cnn2c1CCC2 ZINC000824503484 587272204 /nfs/dbraw/zinc/27/22/04/587272204.db2.gz UCNRSQZDULKZTR-UHFFFAOYSA-N 1 2 246.358 2.201 20 30 BEEDLO C=C[C@H](CC)CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000825531892 587323722 /nfs/dbraw/zinc/32/37/22/587323722.db2.gz PDTSPXDNDJRYHT-GFCCVEGCSA-N 1 2 249.358 2.337 20 30 BEEDLO Cc1ccc(C#N)c(N[C@H]2CCn3cc[nH+]c32)n1 ZINC000828358809 587438478 /nfs/dbraw/zinc/43/84/78/587438478.db2.gz UWBCILSWAYLNIW-NSHDSACASA-N 1 2 239.282 2.015 20 30 BEEDLO C[C@]1(F)CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000828581246 587451855 /nfs/dbraw/zinc/45/18/55/587451855.db2.gz ISHAJCWVNSMOJX-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@]1(F)CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000828581246 587451856 /nfs/dbraw/zinc/45/18/56/587451856.db2.gz ISHAJCWVNSMOJX-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829163721 587486115 /nfs/dbraw/zinc/48/61/15/587486115.db2.gz VTZKDDGUZLVDLK-SNVBAGLBSA-N 1 2 249.745 2.290 20 30 BEEDLO CCC#C[C@@H](C)[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829163721 587486116 /nfs/dbraw/zinc/48/61/16/587486116.db2.gz VTZKDDGUZLVDLK-SNVBAGLBSA-N 1 2 249.745 2.290 20 30 BEEDLO C#CC[C@@H]1CCC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000829779660 587515863 /nfs/dbraw/zinc/51/58/63/587515863.db2.gz YLOKKHGIDNZLNY-GFCCVEGCSA-N 1 2 247.342 2.428 20 30 BEEDLO C#CC[C@@H]1CCC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000829779660 587515864 /nfs/dbraw/zinc/51/58/64/587515864.db2.gz YLOKKHGIDNZLNY-GFCCVEGCSA-N 1 2 247.342 2.428 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000830707821 587564671 /nfs/dbraw/zinc/56/46/71/587564671.db2.gz HYBXCLMQGULWJK-SNVBAGLBSA-N 1 2 215.724 2.382 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000830707821 587564673 /nfs/dbraw/zinc/56/46/73/587564673.db2.gz HYBXCLMQGULWJK-SNVBAGLBSA-N 1 2 215.724 2.382 20 30 BEEDLO CC1=CCC[C@@H](C)[C@H]1C=[NH+]n1ccnn1 ZINC000835010644 587777550 /nfs/dbraw/zinc/77/75/50/587777550.db2.gz FCINJPDUJNYLEL-MNOVXSKESA-N 1 2 204.277 2.104 20 30 BEEDLO CC[C@@H]1CCC[C@@H](C=[NH+]n2ccnn2)C1 ZINC000835011896 587777698 /nfs/dbraw/zinc/77/76/98/587777698.db2.gz RFAFHHGFOVKUJB-GHMZBOCLSA-N 1 2 206.293 2.328 20 30 BEEDLO C#CCCCCC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000836951472 587843581 /nfs/dbraw/zinc/84/35/81/587843581.db2.gz XIRUGXYROIRHBR-LBPRGKRZSA-N 1 2 247.342 2.274 20 30 BEEDLO C#CCCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000837104618 587853722 /nfs/dbraw/zinc/85/37/22/587853722.db2.gz HFSSSZIDCUEMFQ-UHFFFAOYSA-N 1 2 230.311 2.118 20 30 BEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C#CC(C)(C)C ZINC000837688602 587890744 /nfs/dbraw/zinc/89/07/44/587890744.db2.gz OUGQWDSHRRQTLE-NSHDSACASA-N 1 2 247.342 2.130 20 30 BEEDLO C=CC(C)(C)C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000840711149 587917644 /nfs/dbraw/zinc/91/76/44/587917644.db2.gz WUMMKQZTQZMLKS-VGOFMYFVSA-N 1 2 235.283 2.435 20 30 BEEDLO CCC(CC)CNN=Cc1c[nH+]cn1CC ZINC000841634941 587963417 /nfs/dbraw/zinc/96/34/17/587963417.db2.gz YWIFSPAMQMBGRX-UHFFFAOYSA-N 1 2 222.336 2.263 20 30 BEEDLO Cc1cccc2c1C(=NNc1[nH+]ccn1C)CC2 ZINC000841637230 587964389 /nfs/dbraw/zinc/96/43/89/587964389.db2.gz SWCZQPYAVIPDRH-UHFFFAOYSA-N 1 2 240.310 2.491 20 30 BEEDLO c1c[nH+]c2c(c1)CCC(=NNC13CC(C1)C3)CC2 ZINC000842543602 588039011 /nfs/dbraw/zinc/03/90/11/588039011.db2.gz KKNDXBDQBKBPQB-UHFFFAOYSA-N 1 2 241.338 2.459 20 30 BEEDLO C#CC1CC[NH+](Cn2ncc(Cl)c2C)CC1 ZINC000842633442 588046736 /nfs/dbraw/zinc/04/67/36/588046736.db2.gz HRDUENKDMXSKNH-UHFFFAOYSA-N 1 2 237.734 2.148 20 30 BEEDLO CC(C)c1nc(C(=O)/C=C/c2cn(C)c[nH+]2)co1 ZINC000844553841 588201957 /nfs/dbraw/zinc/20/19/57/588201957.db2.gz YYAYTRGQOYTWLD-SNAWJCMRSA-N 1 2 245.282 2.428 20 30 BEEDLO C=C[C@H](C)ON=C(C)c1cn(C)c(C)[nH+]1 ZINC000844625554 588211183 /nfs/dbraw/zinc/21/11/83/588211183.db2.gz NOOYPPVUBVEHRN-QMMMGPOBSA-N 1 2 207.277 2.044 20 30 BEEDLO C=CCCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283593 588225726 /nfs/dbraw/zinc/22/57/26/588225726.db2.gz YJUZNPMOBRWYEF-LLVKDONJSA-N 1 2 222.288 2.344 20 30 BEEDLO C=CCCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283594 588225820 /nfs/dbraw/zinc/22/58/20/588225820.db2.gz YJUZNPMOBRWYEF-NSHDSACASA-N 1 2 222.288 2.344 20 30 BEEDLO C=C[C@H](C)ONC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000845620678 588237052 /nfs/dbraw/zinc/23/70/52/588237052.db2.gz VNZXWHFYDDXBSP-NSHDSACASA-N 1 2 249.314 2.004 20 30 BEEDLO c1cn(CCCNN=C2CC[C@@H]2C2CCC2)c[nH+]1 ZINC000848416618 588381464 /nfs/dbraw/zinc/38/14/64/588381464.db2.gz RPLKPAJIKFWXGK-CYBMUJFWSA-N 1 2 246.358 2.429 20 30 BEEDLO C[C@@]12C[C@@H]1CCCC2=NNCCCn1cc[nH+]c1 ZINC000848417370 588381473 /nfs/dbraw/zinc/38/14/73/588381473.db2.gz XBMCRHKYRHVXJY-GXTWGEPZSA-N 1 2 246.358 2.429 20 30 BEEDLO C[C@@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000848418344 588382100 /nfs/dbraw/zinc/38/21/00/588382100.db2.gz MFMCFCWMGUGGTA-LLVKDONJSA-N 1 2 220.320 2.039 20 30 BEEDLO C[C@@H]1CCCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848419624 588382822 /nfs/dbraw/zinc/38/28/22/588382822.db2.gz YYQSYWNLMPOIIP-GFCCVEGCSA-N 1 2 234.347 2.429 20 30 BEEDLO C#CC[C@H]1CCCN(c2nc[nH+]c(C)c2OC)C1 ZINC000848733701 588409837 /nfs/dbraw/zinc/40/98/37/588409837.db2.gz XAWJYASLHXMRGL-LBPRGKRZSA-N 1 2 245.326 2.033 20 30 BEEDLO C#C[C@@H]1CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000848748716 588410816 /nfs/dbraw/zinc/41/08/16/588410816.db2.gz ANDZHWOCJGFHLF-GFCCVEGCSA-N 1 2 229.327 2.450 20 30 BEEDLO C#C[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000848748886 588410958 /nfs/dbraw/zinc/41/09/58/588410958.db2.gz BBNBJCAKCXPPNO-LLVKDONJSA-N 1 2 225.295 2.413 20 30 BEEDLO C#C[C@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000848750676 588411141 /nfs/dbraw/zinc/41/11/41/588411141.db2.gz UEDDYTFOSHROKP-LBPRGKRZSA-N 1 2 237.306 2.479 20 30 BEEDLO Cc1c[nH+]c2cc(C(=O)OCCCC#N)ccn12 ZINC000848782883 588413469 /nfs/dbraw/zinc/41/34/69/588413469.db2.gz XGPJMYFXJIXNPB-UHFFFAOYSA-N 1 2 243.266 2.103 20 30 BEEDLO C=CCC/[NH+]=C/c1cc(OC)ccc1O ZINC000849169769 588459450 /nfs/dbraw/zinc/45/94/50/588459450.db2.gz GOYKESAJCXRPLI-UKTHLTGXSA-N 1 2 205.257 2.396 20 30 BEEDLO C=CCOCCC/[NH+]=C\c1c(O)cccc1OC ZINC000849172759 588459677 /nfs/dbraw/zinc/45/96/77/588459677.db2.gz ZKZHNHAWQZADBV-PTNGSMBKSA-N 1 2 249.310 2.412 20 30 BEEDLO COC1CC(CC/[NH+]=C/c2cccc(O)c2O)C1 ZINC000849171464 588459862 /nfs/dbraw/zinc/45/98/62/588459862.db2.gz XGSMICXNNBZTIL-OQLLNIDSSA-N 1 2 249.310 2.332 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000110115918 588611932 /nfs/dbraw/zinc/61/19/32/588611932.db2.gz XHWYNDXKXCTMSS-SFYZADRCSA-N 1 2 243.656 2.127 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000110115918 588611933 /nfs/dbraw/zinc/61/19/33/588611933.db2.gz XHWYNDXKXCTMSS-SFYZADRCSA-N 1 2 243.656 2.127 20 30 BEEDLO CC[N@@H+](Cc1cccc(F)n1)C[C@H](C)C#N ZINC000851742089 588621476 /nfs/dbraw/zinc/62/14/76/588621476.db2.gz KUXGHWURHHFUEB-SNVBAGLBSA-N 1 2 221.279 2.202 20 30 BEEDLO CC[N@H+](Cc1cccc(F)n1)C[C@H](C)C#N ZINC000851742089 588621477 /nfs/dbraw/zinc/62/14/77/588621477.db2.gz KUXGHWURHHFUEB-SNVBAGLBSA-N 1 2 221.279 2.202 20 30 BEEDLO C#CC[N@@H+](C)Cc1cccc(OC)c1Cl ZINC000851977826 588650762 /nfs/dbraw/zinc/65/07/62/588650762.db2.gz HCBNEJGAMPIQOY-UHFFFAOYSA-N 1 2 223.703 2.414 20 30 BEEDLO C#CC[N@H+](C)Cc1cccc(OC)c1Cl ZINC000851977826 588650763 /nfs/dbraw/zinc/65/07/63/588650763.db2.gz HCBNEJGAMPIQOY-UHFFFAOYSA-N 1 2 223.703 2.414 20 30 BEEDLO C=CC[N@H+](CC=C(Cl)Cl)CCOC ZINC000851979106 588651045 /nfs/dbraw/zinc/65/10/45/588651045.db2.gz AAXQAJIXPFUOKA-UHFFFAOYSA-N 1 2 224.131 2.440 20 30 BEEDLO C=CC[N@@H+](CC=C(Cl)Cl)CCOC ZINC000851979106 588651046 /nfs/dbraw/zinc/65/10/46/588651046.db2.gz AAXQAJIXPFUOKA-UHFFFAOYSA-N 1 2 224.131 2.440 20 30 BEEDLO C[N@H+](Cc1cccc(F)n1)CC(C)(C)C#N ZINC000852088553 588660912 /nfs/dbraw/zinc/66/09/12/588660912.db2.gz KXONCUWQXHGEFU-UHFFFAOYSA-N 1 2 221.279 2.202 20 30 BEEDLO C[N@@H+](Cc1cccc(F)n1)CC(C)(C)C#N ZINC000852088553 588660913 /nfs/dbraw/zinc/66/09/13/588660913.db2.gz KXONCUWQXHGEFU-UHFFFAOYSA-N 1 2 221.279 2.202 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC000852098939 588662353 /nfs/dbraw/zinc/66/23/53/588662353.db2.gz ZQOMSNCMEJXGST-ZDUSSCGKSA-N 1 2 235.331 2.259 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1ncc(C)o1 ZINC000852102115 588663018 /nfs/dbraw/zinc/66/30/18/588663018.db2.gz VXFGJRVXINVWNE-PWSUYJOCSA-N 1 2 206.289 2.436 20 30 BEEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnc(CC)o1 ZINC000852101747 588663279 /nfs/dbraw/zinc/66/32/79/588663279.db2.gz IEUNQEHPHUJIAS-BXKDBHETSA-N 1 2 221.304 2.085 20 30 BEEDLO C=CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852324683 588678868 /nfs/dbraw/zinc/67/88/68/588678868.db2.gz BWNQFENUKCVEOY-CQSZACIVSA-N 1 2 227.311 2.125 20 30 BEEDLO C=CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852324683 588678869 /nfs/dbraw/zinc/67/88/69/588678869.db2.gz BWNQFENUKCVEOY-CQSZACIVSA-N 1 2 227.311 2.125 20 30 BEEDLO C=CCN(Cc1[nH]c(C)c(C)[nH+]1)C(C)C ZINC000862225106 589195596 /nfs/dbraw/zinc/19/55/96/589195596.db2.gz XLKPJDCLOSEOMH-UHFFFAOYSA-N 1 2 207.321 2.423 20 30 BEEDLO Cc1c(F)nccc1C[N@@H+](C)C[C@H](C)C#N ZINC000862228828 589195911 /nfs/dbraw/zinc/19/59/11/589195911.db2.gz YKPYEFOYRCGKKH-SECBINFHSA-N 1 2 221.279 2.121 20 30 BEEDLO Cc1c(F)nccc1C[N@H+](C)C[C@H](C)C#N ZINC000862228828 589195912 /nfs/dbraw/zinc/19/59/12/589195912.db2.gz YKPYEFOYRCGKKH-SECBINFHSA-N 1 2 221.279 2.121 20 30 BEEDLO Cc1c(F)nccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000862238866 589196409 /nfs/dbraw/zinc/19/64/09/589196409.db2.gz MWNGFBFBTBIGOW-VIFPVBQESA-N 1 2 221.279 2.263 20 30 BEEDLO Cc1c(F)nccc1C[N@H+](C)[C@@H](C)CC#N ZINC000862238866 589196411 /nfs/dbraw/zinc/19/64/11/589196411.db2.gz MWNGFBFBTBIGOW-VIFPVBQESA-N 1 2 221.279 2.263 20 30 BEEDLO C#CCCN(Cc1[nH]cc(C)[nH+]1)CC(F)(F)F ZINC000862330424 589201070 /nfs/dbraw/zinc/20/10/70/589201070.db2.gz VMGGAVUNOIAXKI-UHFFFAOYSA-N 1 2 245.248 2.106 20 30 BEEDLO CO[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863079400 589254929 /nfs/dbraw/zinc/25/49/29/589254929.db2.gz LXTCPMHQCSZFTP-UHFFFAOYSA-N 1 2 214.215 2.011 20 30 BEEDLO CCn1cc[nH+]c1CN=Nc1cccc(C)n1 ZINC000863160026 589264741 /nfs/dbraw/zinc/26/47/41/589264741.db2.gz NZZCMMQMGUBQIB-UHFFFAOYSA-N 1 2 229.287 2.052 20 30 BEEDLO CC1(C)CC(=[NH+]n2cccn2)C(C)(C)O1 ZINC000863165003 589266914 /nfs/dbraw/zinc/26/69/14/589266914.db2.gz YNXWSEFUEWPRQI-UHFFFAOYSA-N 1 2 207.277 2.065 20 30 BEEDLO C=CC[N@@H+](C)CN1C[C@H](c2ccccc2)OC1=O ZINC000863264366 589275132 /nfs/dbraw/zinc/27/51/32/589275132.db2.gz GOULLVVABHDBDC-CYBMUJFWSA-N 1 2 246.310 2.255 20 30 BEEDLO C=CC[N@H+](C)CN1C[C@H](c2ccccc2)OC1=O ZINC000863264366 589275134 /nfs/dbraw/zinc/27/51/34/589275134.db2.gz GOULLVVABHDBDC-CYBMUJFWSA-N 1 2 246.310 2.255 20 30 BEEDLO Oc1cccc(/C=[NH+]/CC[C@H]2CCCOC2)c1O ZINC000864344691 589353764 /nfs/dbraw/zinc/35/37/64/589353764.db2.gz FFDCGDYDLBWVMP-BTAWCLGRSA-N 1 2 249.310 2.333 20 30 BEEDLO CO[C@H]1C[C@@H](C/[NH+]=C/c2ccccc2O)C1 ZINC000864346742 589354495 /nfs/dbraw/zinc/35/44/95/589354495.db2.gz DFGOAOMFYUDBMJ-YPVZAVHGSA-N 1 2 219.284 2.236 20 30 BEEDLO CCCNc1cc(NCCCC#N)nc[nH+]1 ZINC000865670567 589455402 /nfs/dbraw/zinc/45/54/02/589455402.db2.gz AEUWOCZEUCZHGO-UHFFFAOYSA-N 1 2 219.292 2.014 20 30 BEEDLO CCCNc1cc(NCCCC#N)[nH+]cn1 ZINC000865670567 589455403 /nfs/dbraw/zinc/45/54/03/589455403.db2.gz AEUWOCZEUCZHGO-UHFFFAOYSA-N 1 2 219.292 2.014 20 30 BEEDLO Cc1cc(C#N)cc(N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000865840998 589464297 /nfs/dbraw/zinc/46/42/97/589464297.db2.gz PKJNCJCGXJULIW-LLVKDONJSA-N 1 2 239.282 2.015 20 30 BEEDLO C=CCCNc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865936177 589469243 /nfs/dbraw/zinc/46/92/43/589469243.db2.gz HMZAAGYKDYXRCQ-UHFFFAOYSA-N 1 2 233.319 2.099 20 30 BEEDLO C=CCCNc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865936177 589469244 /nfs/dbraw/zinc/46/92/44/589469244.db2.gz HMZAAGYKDYXRCQ-UHFFFAOYSA-N 1 2 233.319 2.099 20 30 BEEDLO C[C@@H](O)c1ccc(N2CCC[C@H](CC#N)C2)[nH+]c1 ZINC000865932534 589469299 /nfs/dbraw/zinc/46/92/99/589469299.db2.gz WDAKZSVNFKCTRL-VXGBXAGGSA-N 1 2 245.326 2.265 20 30 BEEDLO C[C@@H]([NH2+][C@@H]1CCSC1)c1cccc(C#N)c1O ZINC000866303730 589485455 /nfs/dbraw/zinc/48/54/55/589485455.db2.gz OXUZGOOYKVETDS-MWLCHTKSSA-N 1 2 248.351 2.420 20 30 BEEDLO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cccc(C#N)c1O ZINC000866335330 589486834 /nfs/dbraw/zinc/48/68/34/589486834.db2.gz IGRCZLBQLIYFKG-GARJFASQSA-N 1 2 248.326 2.074 20 30 BEEDLO CCOC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866344544 589487185 /nfs/dbraw/zinc/48/71/85/589487185.db2.gz YKVKGESDYLCLHD-QWRGUYRKSA-N 1 2 248.326 2.339 20 30 BEEDLO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866345612 589487340 /nfs/dbraw/zinc/48/73/40/589487340.db2.gz QXDJLDFVKIRRRI-HBNTYKKESA-N 1 2 248.326 2.338 20 30 BEEDLO CC[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)OC ZINC000866360966 589487954 /nfs/dbraw/zinc/48/79/54/589487954.db2.gz IRZYMRCIAABEDG-CMPLNLGQSA-N 1 2 248.326 2.339 20 30 BEEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)[C@@H](C)O ZINC000866367169 589488337 /nfs/dbraw/zinc/48/83/37/589488337.db2.gz GPBSNZFDWCPSSI-BREBYQMCSA-N 1 2 248.326 2.074 20 30 BEEDLO Cc1cc(CO[NH+]=C(N)Cc2ccccc2)no1 ZINC000122203963 589565371 /nfs/dbraw/zinc/56/53/71/589565371.db2.gz HJCNBHZNNROGLY-UHFFFAOYSA-N 1 2 245.282 2.015 20 30 BEEDLO C=C(Br)CNc1cc(CC)[nH+]cn1 ZINC000123464739 589719116 /nfs/dbraw/zinc/71/91/16/589719116.db2.gz BRTFDQLVKOMCJJ-UHFFFAOYSA-N 1 2 242.120 2.360 20 30 BEEDLO C=C(CC)CO[NH+]=C(N)COC1CCC1 ZINC000871774484 589812863 /nfs/dbraw/zinc/81/28/63/589812863.db2.gz DNXAFSCDKLIMKT-UHFFFAOYSA-N 1 2 212.293 2.020 20 30 BEEDLO N#CCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000872231763 589897699 /nfs/dbraw/zinc/89/76/99/589897699.db2.gz RESDKEAUGOZRMV-UHFFFAOYSA-N 1 2 244.216 2.430 20 30 BEEDLO C(=NOC1CCCC1)c1c[nH]c2nc[nH+]cc12 ZINC000872362425 589920012 /nfs/dbraw/zinc/92/00/12/589920012.db2.gz QNQXGARLLLCLSV-UHFFFAOYSA-N 1 2 230.271 2.203 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1cc2c([nH]1)CCCC2 ZINC000872370254 589923151 /nfs/dbraw/zinc/92/31/51/589923151.db2.gz WKKYSAJKDWRKHX-UHFFFAOYSA-N 1 2 243.314 2.073 20 30 BEEDLO C[C@H](NN=Cc1c[nH]c2nc[nH+]cc12)C(C)(C)C ZINC000872376156 589925475 /nfs/dbraw/zinc/92/54/75/589925475.db2.gz FZIWMGCAOXPDIL-VIFPVBQESA-N 1 2 245.330 2.268 20 30 BEEDLO C(=NOCCC1CC1)c1c[nH]c2nc[nH+]cc12 ZINC000872378453 589926960 /nfs/dbraw/zinc/92/69/60/589926960.db2.gz JJOMFYSEYXPRPU-UHFFFAOYSA-N 1 2 230.271 2.060 20 30 BEEDLO CC(=NN1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000872395144 589932695 /nfs/dbraw/zinc/93/26/95/589932695.db2.gz VEVMPHMKGPNGDY-UHFFFAOYSA-N 1 2 240.310 2.302 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876617322 590222608 /nfs/dbraw/zinc/22/26/08/590222608.db2.gz KOUQXDXVWQBALV-QMMMGPOBSA-N 1 2 240.253 2.262 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876617322 590222609 /nfs/dbraw/zinc/22/26/09/590222609.db2.gz KOUQXDXVWQBALV-QMMMGPOBSA-N 1 2 240.253 2.262 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(OC)cccc1OC ZINC000877479298 590337507 /nfs/dbraw/zinc/33/75/07/590337507.db2.gz AONYVYQPWRMGQM-LLVKDONJSA-N 1 2 233.311 2.157 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1c(OC)cccc1OC ZINC000877479298 590337510 /nfs/dbraw/zinc/33/75/10/590337510.db2.gz AONYVYQPWRMGQM-LLVKDONJSA-N 1 2 233.311 2.157 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(CCC)nn1 ZINC000877484079 590337669 /nfs/dbraw/zinc/33/76/69/590337669.db2.gz WMDVHQADHNYOAG-ZDUSSCGKSA-N 1 2 234.347 2.229 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(CCC)nn1 ZINC000877484079 590337671 /nfs/dbraw/zinc/33/76/71/590337671.db2.gz WMDVHQADHNYOAG-ZDUSSCGKSA-N 1 2 234.347 2.229 20 30 BEEDLO C[C@]1(F)CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000877557148 590358079 /nfs/dbraw/zinc/35/80/79/590358079.db2.gz HEHKBDZCHNBRAR-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@]1(F)CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000877557148 590358081 /nfs/dbraw/zinc/35/80/81/590358081.db2.gz HEHKBDZCHNBRAR-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO CN(C)c1ccc(F)cc1C[NH+]1CC(CC#N)C1 ZINC000877624866 590377334 /nfs/dbraw/zinc/37/73/34/590377334.db2.gz HWQKELKXXRPFNE-UHFFFAOYSA-N 1 2 247.317 2.237 20 30 BEEDLO C#CCCCCCC[N@@H+](C)Cc1noc(C)n1 ZINC000877641643 590383373 /nfs/dbraw/zinc/38/33/73/590383373.db2.gz CTBVHZHVKBHXEI-UHFFFAOYSA-N 1 2 235.331 2.394 20 30 BEEDLO C#CCCCCCC[N@H+](C)Cc1noc(C)n1 ZINC000877641643 590383376 /nfs/dbraw/zinc/38/33/76/590383376.db2.gz CTBVHZHVKBHXEI-UHFFFAOYSA-N 1 2 235.331 2.394 20 30 BEEDLO C=C(Cl)C[C@H]([NH2+]CC(C)C)C(=O)OCC ZINC000877671707 590389072 /nfs/dbraw/zinc/38/90/72/590389072.db2.gz NICBGQNZAZRRNL-JTQLQIEISA-N 1 2 233.739 2.306 20 30 BEEDLO Cc1conc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000877917314 590446292 /nfs/dbraw/zinc/44/62/92/590446292.db2.gz SSQSNCOBXJBOJI-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1conc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000877917314 590446294 /nfs/dbraw/zinc/44/62/94/590446294.db2.gz SSQSNCOBXJBOJI-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C=CCN(CC=C)Cc1[nH+]ccn1CC(F)F ZINC000877958998 590458846 /nfs/dbraw/zinc/45/88/46/590458846.db2.gz QZWXDTAHCUJRFA-UHFFFAOYSA-N 1 2 241.285 2.322 20 30 BEEDLO C=CC[NH+](CC=C)Cc1nccn1CC(F)F ZINC000877958998 590458847 /nfs/dbraw/zinc/45/88/47/590458847.db2.gz QZWXDTAHCUJRFA-UHFFFAOYSA-N 1 2 241.285 2.322 20 30 BEEDLO C#CC[N@@H+](CC(C)=O)[C@H]1CCc2ccccc21 ZINC000877991498 590467574 /nfs/dbraw/zinc/46/75/74/590467574.db2.gz QUHCKYHABVJLFF-HNNXBMFYSA-N 1 2 227.307 2.198 20 30 BEEDLO C#CC[N@H+](CC(C)=O)[C@H]1CCc2ccccc21 ZINC000877991498 590467576 /nfs/dbraw/zinc/46/75/76/590467576.db2.gz QUHCKYHABVJLFF-HNNXBMFYSA-N 1 2 227.307 2.198 20 30 BEEDLO CC#CC[N@H+](C)Cc1coc(C2CC2)n1 ZINC000878655938 590602762 /nfs/dbraw/zinc/60/27/62/590602762.db2.gz DEMFYEYYJFOJOH-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO CC#CC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000878655938 590602764 /nfs/dbraw/zinc/60/27/64/590602764.db2.gz DEMFYEYYJFOJOH-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO C=CC[C@H](C)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000878715529 590615017 /nfs/dbraw/zinc/61/50/17/590615017.db2.gz PRZMONCJXIGFPU-VIFPVBQESA-N 1 2 221.304 2.343 20 30 BEEDLO C=CC[C@H](C)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000878715529 590615019 /nfs/dbraw/zinc/61/50/19/590615019.db2.gz PRZMONCJXIGFPU-VIFPVBQESA-N 1 2 221.304 2.343 20 30 BEEDLO C#CC[N@@H+](Cc1ccnn1C(C)C)C1CSC1 ZINC000878910094 590642354 /nfs/dbraw/zinc/64/23/54/590642354.db2.gz NLCJNAWILOEPRS-UHFFFAOYSA-N 1 2 249.383 2.015 20 30 BEEDLO C#CC[N@H+](Cc1ccnn1C(C)C)C1CSC1 ZINC000878910094 590642357 /nfs/dbraw/zinc/64/23/57/590642357.db2.gz NLCJNAWILOEPRS-UHFFFAOYSA-N 1 2 249.383 2.015 20 30 BEEDLO C#CC[N@@H+](Cc1ccc(CC)cn1)C1CSC1 ZINC000878910743 590647432 /nfs/dbraw/zinc/64/74/32/590647432.db2.gz SIEUOBSLNWRCFQ-UHFFFAOYSA-N 1 2 246.379 2.195 20 30 BEEDLO C#CC[N@H+](Cc1ccc(CC)cn1)C1CSC1 ZINC000878910743 590647435 /nfs/dbraw/zinc/64/74/35/590647435.db2.gz SIEUOBSLNWRCFQ-UHFFFAOYSA-N 1 2 246.379 2.195 20 30 BEEDLO C[C@@H](C#N)[N@H+](CCCOC(F)(F)F)C1CC1 ZINC000878920400 590651709 /nfs/dbraw/zinc/65/17/09/590651709.db2.gz XKTHSUJWJKWLGF-QMMMGPOBSA-N 1 2 236.237 2.289 20 30 BEEDLO C[C@@H](C#N)[N@@H+](CCCOC(F)(F)F)C1CC1 ZINC000878920400 590651712 /nfs/dbraw/zinc/65/17/12/590651712.db2.gz XKTHSUJWJKWLGF-QMMMGPOBSA-N 1 2 236.237 2.289 20 30 BEEDLO C[N@H+](Cc1ccnc(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000879310662 590734640 /nfs/dbraw/zinc/73/46/40/590734640.db2.gz XWLJQXHZPRDLCE-NWDGAFQWSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1ccnc(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000879310662 590734642 /nfs/dbraw/zinc/73/46/42/590734642.db2.gz XWLJQXHZPRDLCE-NWDGAFQWSA-N 1 2 233.290 2.345 20 30 BEEDLO Cc1oncc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000879309125 590735651 /nfs/dbraw/zinc/73/56/51/590735651.db2.gz DKYKQBQQCATVJM-CMPLNLGQSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1oncc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000879309125 590735652 /nfs/dbraw/zinc/73/56/52/590735652.db2.gz DKYKQBQQCATVJM-CMPLNLGQSA-N 1 2 219.288 2.107 20 30 BEEDLO C=C(C)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879504828 590783305 /nfs/dbraw/zinc/78/33/05/590783305.db2.gz OTXDBNARVHKMOE-VIFPVBQESA-N 1 2 223.238 2.216 20 30 BEEDLO C=C(C)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879504828 590783307 /nfs/dbraw/zinc/78/33/07/590783307.db2.gz OTXDBNARVHKMOE-VIFPVBQESA-N 1 2 223.238 2.216 20 30 BEEDLO C=CC[N@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879738757 590858329 /nfs/dbraw/zinc/85/83/29/590858329.db2.gz TVFNPHKQAGMISA-AWEZNQCLSA-N 1 2 233.311 2.255 20 30 BEEDLO C=CC[N@@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879738757 590858332 /nfs/dbraw/zinc/85/83/32/590858332.db2.gz TVFNPHKQAGMISA-AWEZNQCLSA-N 1 2 233.311 2.255 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880044135 590913619 /nfs/dbraw/zinc/91/36/19/590913619.db2.gz BFFHIJIYMDQXCD-MRVPVSSYSA-N 1 2 243.656 2.392 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880044135 590913620 /nfs/dbraw/zinc/91/36/20/590913620.db2.gz BFFHIJIYMDQXCD-MRVPVSSYSA-N 1 2 243.656 2.392 20 30 BEEDLO CC(C)(O)[C@@H]1CC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000880149123 590945924 /nfs/dbraw/zinc/94/59/24/590945924.db2.gz VOJCZEOOIOEGRK-ZIAGYGMSSA-N 1 2 244.338 2.344 20 30 BEEDLO CC(C)(O)[C@@H]1CC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000880149123 590945926 /nfs/dbraw/zinc/94/59/26/590945926.db2.gz VOJCZEOOIOEGRK-ZIAGYGMSSA-N 1 2 244.338 2.344 20 30 BEEDLO C=CC(C)(C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000880218776 590960718 /nfs/dbraw/zinc/96/07/18/590960718.db2.gz PZMBLBRWHWUZSJ-UHFFFAOYSA-N 1 2 235.331 2.363 20 30 BEEDLO CCn1cc[nH+]c1CNc1ccc(C)nc1C#N ZINC000882412802 591344754 /nfs/dbraw/zinc/34/47/54/591344754.db2.gz VXSKDEKWTQBMJE-UHFFFAOYSA-N 1 2 241.298 2.090 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1CNc1nc[nH+]c(C)c1C ZINC000882480484 591356097 /nfs/dbraw/zinc/35/60/97/591356097.db2.gz HZVLGCAVUYASDZ-RYUDHWBXSA-N 1 2 233.315 2.096 20 30 BEEDLO Cc1[nH+]cnc(N2CCC[C@H](CC#N)C2)c1C ZINC000882577944 591394523 /nfs/dbraw/zinc/39/45/23/591394523.db2.gz IQJMJNGOBXXUSO-GFCCVEGCSA-N 1 2 230.315 2.224 20 30 BEEDLO Cc1[nH+]cnc(N2CCC[C@@H](CC#N)C2)c1C ZINC000882577945 591394750 /nfs/dbraw/zinc/39/47/50/591394750.db2.gz IQJMJNGOBXXUSO-LBPRGKRZSA-N 1 2 230.315 2.224 20 30 BEEDLO C=C(C)C[C@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000883007048 591508730 /nfs/dbraw/zinc/50/87/30/591508730.db2.gz KJWWPSWAKUYAOX-GFCCVEGCSA-N 1 2 247.342 2.401 20 30 BEEDLO Cc1c(C/[NH+]=C/c2ccccc2O)cnn1C ZINC000132918668 591747702 /nfs/dbraw/zinc/74/77/02/591747702.db2.gz LIXWZSCFAYIRLT-VGOFMYFVSA-N 1 2 229.283 2.053 20 30 BEEDLO CCc1nc(NCC2(CC#N)CC2)cc[nH+]1 ZINC000884494797 591955817 /nfs/dbraw/zinc/95/58/17/591955817.db2.gz CRFROIYEGWTQJW-UHFFFAOYSA-N 1 2 216.288 2.145 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1cccnc1Cl ZINC000134975699 591966533 /nfs/dbraw/zinc/96/65/33/591966533.db2.gz ANBHZCMXELDKMR-UHFFFAOYSA-N 1 2 223.707 2.374 20 30 BEEDLO C=CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886104523 592155061 /nfs/dbraw/zinc/15/50/61/592155061.db2.gz DWWDETJCQMBJJR-UHFFFAOYSA-N 1 2 233.271 2.140 20 30 BEEDLO C=CC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886104523 592155064 /nfs/dbraw/zinc/15/50/64/592155064.db2.gz DWWDETJCQMBJJR-UHFFFAOYSA-N 1 2 233.271 2.140 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886215244 592178266 /nfs/dbraw/zinc/17/82/66/592178266.db2.gz GQXLKYHXGCVHMJ-KGLIPLIRSA-N 1 2 234.343 2.346 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886215244 592178268 /nfs/dbraw/zinc/17/82/68/592178268.db2.gz GQXLKYHXGCVHMJ-KGLIPLIRSA-N 1 2 234.343 2.346 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886215246 592178294 /nfs/dbraw/zinc/17/82/94/592178294.db2.gz GQXLKYHXGCVHMJ-ZIAGYGMSSA-N 1 2 234.343 2.346 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886215246 592178296 /nfs/dbraw/zinc/17/82/96/592178296.db2.gz GQXLKYHXGCVHMJ-ZIAGYGMSSA-N 1 2 234.343 2.346 20 30 BEEDLO Oc1cccc(/C=[NH+]/CC[C@H]2CCCO2)c1O ZINC000887272385 592474095 /nfs/dbraw/zinc/47/40/95/592474095.db2.gz MQEWCCTYXCYZOW-ZECSTPGPSA-N 1 2 235.283 2.086 20 30 BEEDLO COc1cccc(/C=[NH+]/CC[C@H]2CCCO2)c1O ZINC000887270976 592474130 /nfs/dbraw/zinc/47/41/30/592474130.db2.gz XRZGLVLZQISTGH-JXCQQFQQSA-N 1 2 249.310 2.389 20 30 BEEDLO C#CCSCC(=O)Nc1c(C)cc[nH+]c1C ZINC000890492468 592702827 /nfs/dbraw/zinc/70/28/27/592702827.db2.gz LYEUQAWZFAFZGX-UHFFFAOYSA-N 1 2 234.324 2.003 20 30 BEEDLO CCOc1ccc(C[NH2+][C@@H](CC)CC#N)o1 ZINC000893606401 635227511 /nfs/dbraw/zinc/22/75/11/635227511.db2.gz OMPYJUPCGCJRHX-JTQLQIEISA-N 1 2 222.288 2.460 20 30 BEEDLO C=CC[C@H](CC)Nc1cc(N(C)C)nc[nH+]1 ZINC000893683502 635446885 /nfs/dbraw/zinc/44/68/85/635446885.db2.gz IHZWWJFBPMGCIL-JTQLQIEISA-N 1 2 220.320 2.309 20 30 BEEDLO C=CC[C@H](CC)Nc1cc(N(C)C)[nH+]cn1 ZINC000893683502 635446892 /nfs/dbraw/zinc/44/68/92/635446892.db2.gz IHZWWJFBPMGCIL-JTQLQIEISA-N 1 2 220.320 2.309 20 30 BEEDLO N#Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000034674770 635607752 /nfs/dbraw/zinc/60/77/52/635607752.db2.gz JTHYWOOYWJDXSU-UHFFFAOYSA-N 1 2 227.267 2.224 20 30 BEEDLO C=C(CC)C[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933325434 631252648 /nfs/dbraw/zinc/25/26/48/631252648.db2.gz MQXIFRUVVCPXAU-AWEZNQCLSA-N 1 2 244.338 2.126 20 30 BEEDLO C=C(CC)C[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC000933325434 631252656 /nfs/dbraw/zinc/25/26/56/631252656.db2.gz MQXIFRUVVCPXAU-AWEZNQCLSA-N 1 2 244.338 2.126 20 30 BEEDLO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@@](C)(C#N)C1 ZINC000933609717 631458111 /nfs/dbraw/zinc/45/81/11/631458111.db2.gz QKIPCUSFPFAHMV-RDBSUJKOSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@@](C)(C#N)C1 ZINC000933609717 631458114 /nfs/dbraw/zinc/45/81/14/631458114.db2.gz QKIPCUSFPFAHMV-RDBSUJKOSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@](C)(C#N)C1 ZINC000933609712 631459679 /nfs/dbraw/zinc/45/96/79/631459679.db2.gz QKIPCUSFPFAHMV-HZSPNIEDSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@](C)(C#N)C1 ZINC000933609712 631459683 /nfs/dbraw/zinc/45/96/83/631459683.db2.gz QKIPCUSFPFAHMV-HZSPNIEDSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@@H](C[N@@H+]1CCO[C@@](C)(C#N)C1)C(C)(C)C ZINC000933611588 631460759 /nfs/dbraw/zinc/46/07/59/631460759.db2.gz QZUNCTYJUWLXGA-AAEUAGOBSA-N 1 2 224.348 2.283 20 30 BEEDLO C[C@@H](C[N@H+]1CCO[C@@](C)(C#N)C1)C(C)(C)C ZINC000933611588 631460761 /nfs/dbraw/zinc/46/07/61/631460761.db2.gz QZUNCTYJUWLXGA-AAEUAGOBSA-N 1 2 224.348 2.283 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1cc(C)ccc1O ZINC000093100184 631563800 /nfs/dbraw/zinc/56/38/00/631563800.db2.gz RNCUJRCMEMNIII-UHFFFAOYSA-N 1 2 248.326 2.063 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1cc(C)ccc1O ZINC000093100184 631563810 /nfs/dbraw/zinc/56/38/10/631563810.db2.gz RNCUJRCMEMNIII-UHFFFAOYSA-N 1 2 248.326 2.063 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1cnc(Cl)cn1 ZINC000934459692 631849977 /nfs/dbraw/zinc/84/99/77/631849977.db2.gz DVHQRJDRLYWYMC-SNVBAGLBSA-N 1 2 223.707 2.280 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000934459692 631849981 /nfs/dbraw/zinc/84/99/81/631849981.db2.gz DVHQRJDRLYWYMC-SNVBAGLBSA-N 1 2 223.707 2.280 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc(C(C)C)[nH]1 ZINC000934463904 631859422 /nfs/dbraw/zinc/85/94/22/631859422.db2.gz KWEKPMNTRUUTKV-SNVBAGLBSA-N 1 2 220.320 2.079 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(C(C)C)[nH]1 ZINC000934463904 631859425 /nfs/dbraw/zinc/85/94/25/631859425.db2.gz KWEKPMNTRUUTKV-SNVBAGLBSA-N 1 2 220.320 2.079 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1nc(C)c(C)o1 ZINC000934512028 631894983 /nfs/dbraw/zinc/89/49/83/631894983.db2.gz XHATVBJGHDVQLY-LBPRGKRZSA-N 1 2 218.300 2.279 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nc(C)c(C)o1 ZINC000934512028 631894986 /nfs/dbraw/zinc/89/49/86/631894986.db2.gz XHATVBJGHDVQLY-LBPRGKRZSA-N 1 2 218.300 2.279 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cncc(F)c1 ZINC000934515113 631897054 /nfs/dbraw/zinc/89/70/54/631897054.db2.gz PPDCKIHHBRXMQI-CYBMUJFWSA-N 1 2 218.275 2.208 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cncc(F)c1 ZINC000934515113 631897059 /nfs/dbraw/zinc/89/70/59/631897059.db2.gz PPDCKIHHBRXMQI-CYBMUJFWSA-N 1 2 218.275 2.208 20 30 BEEDLO C=CCCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152805005 631916165 /nfs/dbraw/zinc/91/61/65/631916165.db2.gz NNVFKLVHBZCFSE-UHFFFAOYSA-N 1 2 233.315 2.361 20 30 BEEDLO N#CC1(C[NH2+]Cc2cnn(C3CCC3)c2)CC1 ZINC000894202893 635746705 /nfs/dbraw/zinc/74/67/05/635746705.db2.gz BEGBDNGKJUQQGL-UHFFFAOYSA-N 1 2 230.315 2.001 20 30 BEEDLO C#CCCSc1[nH+]cc2ccccn21 ZINC000178163711 632960173 /nfs/dbraw/zinc/96/01/73/632960173.db2.gz RGHKQXONKBKZNS-UHFFFAOYSA-N 1 2 202.282 2.450 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/CC[C@H]2CCOC2)c1 ZINC000783686036 633156791 /nfs/dbraw/zinc/15/67/91/633156791.db2.gz VLYIGZBBLNZGFC-ZRRZQRFHSA-N 1 2 249.310 2.246 20 30 BEEDLO CC/C=C/CCO[NH+]=C(N)Cc1cccnc1 ZINC000184440260 634007779 /nfs/dbraw/zinc/00/77/79/634007779.db2.gz NQYHERCKEAWYGE-ONEGZZNKSA-N 1 2 233.315 2.269 20 30 BEEDLO CCc1onc(C)c1C[NH2+][C@H](CC)CC#N ZINC000930693467 634038557 /nfs/dbraw/zinc/03/85/57/634038557.db2.gz OXDFMTPZXLMDTA-SNVBAGLBSA-N 1 2 221.304 2.327 20 30 BEEDLO C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC000260229571 635314508 /nfs/dbraw/zinc/31/45/08/635314508.db2.gz WSBOATNXTQGVLU-VXGBXAGGSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1cccnc1)[N@H+]1CCC[C@H](C#N)C1 ZINC000260229571 635314517 /nfs/dbraw/zinc/31/45/17/635314517.db2.gz WSBOATNXTQGVLU-VXGBXAGGSA-N 1 2 215.300 2.378 20 30 BEEDLO COc1cccc2cc(C[NH2+]CCC#N)oc21 ZINC000035009896 636365756 /nfs/dbraw/zinc/36/57/56/636365756.db2.gz FEUBXCHHLYJTJC-UHFFFAOYSA-N 1 2 230.267 2.445 20 30 BEEDLO Oc1ccccc1/C=[NH+]\C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000899226714 637078973 /nfs/dbraw/zinc/07/89/73/637078973.db2.gz XDDYXSDDKOBWRQ-VOADKAHHSA-N 1 2 243.306 2.402 20 30 BEEDLO C#C[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000904909151 637521155 /nfs/dbraw/zinc/52/11/55/637521155.db2.gz QBMILECWNBSCNU-LLVKDONJSA-N 1 2 230.311 2.101 20 30 BEEDLO C=CC[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000905193596 637672308 /nfs/dbraw/zinc/67/23/08/637672308.db2.gz CMSJGNREEXZIFB-AWEZNQCLSA-N 1 2 209.314 2.133 20 30 BEEDLO C#CC[N@H+](CN1C(=O)[C@@H]2CCCCC[C@@H]21)C(C)C ZINC000905747821 637896895 /nfs/dbraw/zinc/89/68/95/637896895.db2.gz DRNQIECHXYTFRL-KGLIPLIRSA-N 1 2 248.370 2.079 20 30 BEEDLO C#CC[N@@H+](CN1C(=O)[C@@H]2CCCCC[C@@H]21)C(C)C ZINC000905747821 637896898 /nfs/dbraw/zinc/89/68/98/637896898.db2.gz DRNQIECHXYTFRL-KGLIPLIRSA-N 1 2 248.370 2.079 20 30 BEEDLO C=CC[C@H]([NH2+]CCc1cccc(C)c1)C(=O)OC ZINC000905754327 637912706 /nfs/dbraw/zinc/91/27/06/637912706.db2.gz FMSRLNSSMOHMSJ-AWEZNQCLSA-N 1 2 247.338 2.245 20 30 BEEDLO C=CC[C@H]([NH2+][C@@H]1CC12CCCCC2)C(=O)OC ZINC000905762956 637918660 /nfs/dbraw/zinc/91/86/60/637918660.db2.gz PYVGIUXNQCKDKZ-NWDGAFQWSA-N 1 2 237.343 2.417 20 30 BEEDLO Cc1cc(C)c(C(=O)N(C)C[C@@H](C)C#N)c(C)[nH+]1 ZINC000906380075 638149390 /nfs/dbraw/zinc/14/93/90/638149390.db2.gz LMIZHAQOTYIALB-VIFPVBQESA-N 1 2 245.326 2.239 20 30 BEEDLO CCN(CCC#N)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906374348 638150043 /nfs/dbraw/zinc/15/00/43/638150043.db2.gz GJDJKNRMAKYDNS-UHFFFAOYSA-N 1 2 245.326 2.383 20 30 BEEDLO C#CCCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906829690 638253272 /nfs/dbraw/zinc/25/32/72/638253272.db2.gz JMPWHFCFQQJWKR-UHFFFAOYSA-N 1 2 230.311 2.150 20 30 BEEDLO C#C[C@H](CC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907719188 638457582 /nfs/dbraw/zinc/45/75/82/638457582.db2.gz XMQNGFBAISMMBQ-GFCCVEGCSA-N 1 2 230.311 2.148 20 30 BEEDLO C[N@H+](CCc1ccns1)CC(C)(C)C#N ZINC000930570250 639812530 /nfs/dbraw/zinc/81/25/30/639812530.db2.gz VOPQYIALKDJEAC-UHFFFAOYSA-N 1 2 223.345 2.167 20 30 BEEDLO C[N@@H+](CCc1ccns1)CC(C)(C)C#N ZINC000930570250 639812531 /nfs/dbraw/zinc/81/25/31/639812531.db2.gz VOPQYIALKDJEAC-UHFFFAOYSA-N 1 2 223.345 2.167 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H](C)c1snnc1C ZINC000930693760 639864766 /nfs/dbraw/zinc/86/47/66/639864766.db2.gz TWKRURYNENHTHL-VXNVDRBHSA-N 1 2 224.333 2.189 20 30 BEEDLO N#CC[C@@H](O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000931105588 640067214 /nfs/dbraw/zinc/06/72/14/640067214.db2.gz NZCLJOUKBRKOCC-MNOVXSKESA-N 1 2 246.301 2.065 20 30 BEEDLO Cc1nccn1CCCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932152786 640443185 /nfs/dbraw/zinc/44/31/85/640443185.db2.gz UODBABDISOJMGN-AWEZNQCLSA-N 1 2 246.358 2.207 20 30 BEEDLO Cc1nccn1CCCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932152786 640443189 /nfs/dbraw/zinc/44/31/89/640443189.db2.gz UODBABDISOJMGN-AWEZNQCLSA-N 1 2 246.358 2.207 20 30 BEEDLO CCC#C[C@@H](C)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932358317 640499386 /nfs/dbraw/zinc/49/93/86/640499386.db2.gz WOLQBPFFTQGAKY-YPMHNXCESA-N 1 2 229.327 2.319 20 30 BEEDLO C=CCO[NH+]=C(N)Cc1ccccc1C ZINC000165343804 640562070 /nfs/dbraw/zinc/56/20/70/640562070.db2.gz RKIFPQMTQBVDSO-UHFFFAOYSA-N 1 2 204.273 2.012 20 30 BEEDLO C=C[C@@H](CC)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000932606658 640582203 /nfs/dbraw/zinc/58/22/03/640582203.db2.gz MDFUQDTXDYLOGD-NSHDSACASA-N 1 2 218.300 2.353 20 30 BEEDLO CCC#C[C@H](C)N1CCc2c([nH+]cn2CC)C1 ZINC000933258975 640692616 /nfs/dbraw/zinc/69/26/16/640692616.db2.gz VHWKVIIGLZCMFR-LBPRGKRZSA-N 1 2 231.343 2.063 20 30 BEEDLO C=C[C@@H](CC)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000933299731 640702387 /nfs/dbraw/zinc/70/23/87/640702387.db2.gz VXJCZLWUMLFLFB-STQMWFEESA-N 1 2 249.358 2.238 20 30 BEEDLO C#CCC1([NH2+]CC(F)(F)C(F)F)CCC1 ZINC000933299523 640702682 /nfs/dbraw/zinc/70/26/82/640702682.db2.gz WXQRJLDYKBAKNK-UHFFFAOYSA-N 1 2 223.213 2.422 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H]1CCc2cccnc21 ZINC000226819217 640793401 /nfs/dbraw/zinc/79/34/01/640793401.db2.gz HRMKYVRVSFPKJK-NEPJUHHUSA-N 1 2 215.300 2.351 20 30 BEEDLO C=CC[C@@H]([NH2+]C1(CCCC)CC1)C(=O)OC ZINC000934200962 641099346 /nfs/dbraw/zinc/09/93/46/641099346.db2.gz PWDVYRWWVYHSDE-LLVKDONJSA-N 1 2 225.332 2.417 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1cc(C(C)=O)no1 ZINC000934464800 641156746 /nfs/dbraw/zinc/15/67/46/641156746.db2.gz QAKMZOUZSJNOQL-SNVBAGLBSA-N 1 2 220.272 2.028 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cc(C(C)=O)no1 ZINC000934464800 641156750 /nfs/dbraw/zinc/15/67/50/641156750.db2.gz QAKMZOUZSJNOQL-SNVBAGLBSA-N 1 2 220.272 2.028 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc2n(n1)CCCC2 ZINC000934515669 641184839 /nfs/dbraw/zinc/18/48/39/641184839.db2.gz OVVVMTGFCTUWFP-AWEZNQCLSA-N 1 2 243.354 2.207 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc2n(n1)CCCC2 ZINC000934515669 641184841 /nfs/dbraw/zinc/18/48/41/641184841.db2.gz OVVVMTGFCTUWFP-AWEZNQCLSA-N 1 2 243.354 2.207 20 30 BEEDLO C=CCCC[N@@H+](CC)Cc1noc(COC)n1 ZINC000934647189 641230998 /nfs/dbraw/zinc/23/09/98/641230998.db2.gz UTKVAKHFDANKQP-UHFFFAOYSA-N 1 2 239.319 2.004 20 30 BEEDLO C=CCCC[N@H+](CC)Cc1noc(COC)n1 ZINC000934647189 641231002 /nfs/dbraw/zinc/23/10/02/641231002.db2.gz UTKVAKHFDANKQP-UHFFFAOYSA-N 1 2 239.319 2.004 20 30 BEEDLO C=C(C)C[NH+]1CCN(C(=O)C2(C)CC=CC2)CC1 ZINC000950023648 641883858 /nfs/dbraw/zinc/88/38/58/641883858.db2.gz VAFRZOSZBGDATF-UHFFFAOYSA-N 1 2 248.370 2.063 20 30 BEEDLO CCOc1cccc(/C=[NH+]/CCCOC)c1O ZINC000078363026 641916315 /nfs/dbraw/zinc/91/63/15/641916315.db2.gz CVSRMOZJMUINTF-GXDHUFHOSA-N 1 2 237.299 2.246 20 30 BEEDLO C=C(C)C[NH2+]C1(C(=O)OC)CCC(C)CC1 ZINC000309419015 711514472 /nfs/dbraw/zinc/51/44/72/711514472.db2.gz DFBGVOBKLWAJHU-UHFFFAOYSA-N 1 2 225.332 2.274 20 30 BEEDLO C=CC[N@@H+](CC/C=C/CC)CC(=O)OCC ZINC000184480434 643212965 /nfs/dbraw/zinc/21/29/65/643212965.db2.gz UQPKQQQHKCHACR-BQYQJAHWSA-N 1 2 225.332 2.394 20 30 BEEDLO C=CC[N@H+](CC/C=C/CC)CC(=O)OCC ZINC000184480434 643212971 /nfs/dbraw/zinc/21/29/71/643212971.db2.gz UQPKQQQHKCHACR-BQYQJAHWSA-N 1 2 225.332 2.394 20 30 BEEDLO COC[C@H](C)C/[NH+]=C/c1ccccc1O ZINC000194469142 644321238 /nfs/dbraw/zinc/32/12/38/644321238.db2.gz AWSZKVBZLWFKQP-SEEODLKFSA-N 1 2 207.273 2.094 20 30 BEEDLO CCCCCCO[NH+]=C(N)Cc1cccnc1 ZINC000187183412 644482656 /nfs/dbraw/zinc/48/26/56/644482656.db2.gz NUJWPJATYYKMAX-UHFFFAOYSA-N 1 2 235.331 2.493 20 30 BEEDLO C=C(C)CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000092892882 644671130 /nfs/dbraw/zinc/67/11/30/644671130.db2.gz VOJVYSVSXPSWRV-UHFFFAOYSA-N 1 2 234.299 2.103 20 30 BEEDLO CC[N@H+](CCC#N)CCC(=O)CC(C)C ZINC000827970481 645090166 /nfs/dbraw/zinc/09/01/66/645090166.db2.gz GLKBIIACHRHUSX-UHFFFAOYSA-N 1 2 210.321 2.227 20 30 BEEDLO CC[N@@H+](CCC#N)CCC(=O)CC(C)C ZINC000827970481 645090168 /nfs/dbraw/zinc/09/01/68/645090168.db2.gz GLKBIIACHRHUSX-UHFFFAOYSA-N 1 2 210.321 2.227 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CCCSC(C)(C)C ZINC000878705042 645823552 /nfs/dbraw/zinc/82/35/52/645823552.db2.gz NMOHCWVKEXZZME-GFCCVEGCSA-N 1 2 241.400 2.242 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CCCSC(C)(C)C ZINC000878705042 645823556 /nfs/dbraw/zinc/82/35/56/645823556.db2.gz NMOHCWVKEXZZME-GFCCVEGCSA-N 1 2 241.400 2.242 20 30 BEEDLO CC[C@@H](CO)[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000926231275 646600648 /nfs/dbraw/zinc/60/06/48/646600648.db2.gz BTHIBBGVDXKOAO-AAEUAGOBSA-N 1 2 248.326 2.075 20 30 BEEDLO C=C(Br)CNCc1[nH]c(C)c(C)[nH+]1 ZINC000709015588 712206151 /nfs/dbraw/zinc/20/61/51/712206151.db2.gz FPKBZCAIMYSCHW-UHFFFAOYSA-N 1 2 244.136 2.025 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](CCCOC(F)(F)F)C1 ZINC000713439378 712460148 /nfs/dbraw/zinc/46/01/48/712460148.db2.gz FDJLMTGJOGENIJ-SECBINFHSA-N 1 2 236.237 2.148 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000713439378 712460150 /nfs/dbraw/zinc/46/01/50/712460150.db2.gz FDJLMTGJOGENIJ-SECBINFHSA-N 1 2 236.237 2.148 20 30 BEEDLO N#CCC[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000381495977 710646358 /nfs/dbraw/zinc/64/63/58/710646358.db2.gz MKSAUORWTDTVOP-LLVKDONJSA-N 1 2 220.247 2.153 20 30 BEEDLO Cc1cc(C)[nH+]c(CN(C)CCC#N)c1 ZINC000723615005 710728634 /nfs/dbraw/zinc/72/86/34/710728634.db2.gz YHVGJGNBKHVLGR-UHFFFAOYSA-N 1 2 203.289 2.044 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(C)CC=CC2)C1 ZINC001043756191 710812594 /nfs/dbraw/zinc/81/25/94/710812594.db2.gz SIDDIEBJRKHYPX-UHFFFAOYSA-N 1 2 248.370 2.061 20 30 BEEDLO N#CCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000393613551 711165293 /nfs/dbraw/zinc/16/52/93/711165293.db2.gz ZUZOTVGPXMJMQQ-UHFFFAOYSA-N 1 2 228.654 2.188 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccc(Cl)nc1 ZINC000067406411 711452011 /nfs/dbraw/zinc/45/20/11/711452011.db2.gz WHAPUNVRXABJTP-MRVPVSSYSA-N 1 2 209.680 2.127 20 30 BEEDLO C=C(Cl)C[N@H+]1CCN(C)C[C@@H]1CC(C)C ZINC000933246969 711508020 /nfs/dbraw/zinc/50/80/20/711508020.db2.gz OCTCTXBPHHTMPS-LBPRGKRZSA-N 1 2 230.783 2.401 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCN(C)C[C@@H]1CC(C)C ZINC000933246969 711508022 /nfs/dbraw/zinc/50/80/22/711508022.db2.gz OCTCTXBPHHTMPS-LBPRGKRZSA-N 1 2 230.783 2.401 20 30 BEEDLO CCN(CC#N)Cc1cc(C)cc(C)[nH+]1 ZINC000723614177 711525896 /nfs/dbraw/zinc/52/58/96/711525896.db2.gz MZUKQVRMMVXUPY-UHFFFAOYSA-N 1 2 203.289 2.044 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1csc(COC)n1 ZINC000934469334 711587378 /nfs/dbraw/zinc/58/73/78/711587378.db2.gz SJTMEZWOGSJLOZ-NSHDSACASA-N 1 2 238.356 2.440 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1csc(COC)n1 ZINC000934469334 711587380 /nfs/dbraw/zinc/58/73/80/711587380.db2.gz SJTMEZWOGSJLOZ-NSHDSACASA-N 1 2 238.356 2.440 20 30 BEEDLO CC[N@H+](CC#N)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724857700 711621311 /nfs/dbraw/zinc/62/13/11/711621311.db2.gz FFEMFNORLVEHSN-GDNZZTSVSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@@H+](CC#N)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724857700 711621312 /nfs/dbraw/zinc/62/13/12/711621312.db2.gz FFEMFNORLVEHSN-GDNZZTSVSA-N 1 2 210.321 2.035 20 30 BEEDLO N#Cc1cncc(C[NH+]2CCC(F)(F)CC2)c1 ZINC000721621537 711671606 /nfs/dbraw/zinc/67/16/06/711671606.db2.gz COQJXJVWLVIVOE-UHFFFAOYSA-N 1 2 237.253 2.184 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnn1C1CCC1 ZINC000893606936 711745790 /nfs/dbraw/zinc/74/57/90/711745790.db2.gz TVCHPHHJTHVPKB-NSHDSACASA-N 1 2 232.331 2.390 20 30 BEEDLO N#CCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356387634 711930892 /nfs/dbraw/zinc/93/08/92/711930892.db2.gz GSZFHRQAVWEGDF-UHFFFAOYSA-N 1 2 244.216 2.414 20 30 BEEDLO N#CC1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000703668507 712083193 /nfs/dbraw/zinc/08/31/93/712083193.db2.gz VCVKFIYWOHXZLU-UHFFFAOYSA-N 1 2 235.718 2.471 20 30 BEEDLO C#CC[C@@H]1CCN(c2cc(NCCC)[nH+]cn2)C1 ZINC000884596646 712647541 /nfs/dbraw/zinc/64/75/41/712647541.db2.gz IGVLEZKKCFRLPE-GFCCVEGCSA-N 1 2 244.342 2.148 20 30 BEEDLO C#CC[C@@H]1CCN(c2cc(NCCC)nc[nH+]2)C1 ZINC000884596646 712647542 /nfs/dbraw/zinc/64/75/42/712647542.db2.gz IGVLEZKKCFRLPE-GFCCVEGCSA-N 1 2 244.342 2.148 20 30 BEEDLO N#Cc1cc(C[NH+]2CC(C(F)F)C2)ccc1F ZINC000706450825 957864886 /nfs/dbraw/zinc/86/48/86/957864886.db2.gz HFHZJFQKQLQKPM-UHFFFAOYSA-N 1 2 240.228 2.394 20 30 BEEDLO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](C#N)C2)c1C ZINC001140862874 959997721 /nfs/dbraw/zinc/99/77/21/959997721.db2.gz PLHAGYISLYOIDU-LBPRGKRZSA-N 1 2 217.316 2.367 20 30 BEEDLO Cc1c[nH]c(C[N@H+]2CCC[C@@H](C#N)C2)c1C ZINC001140862874 959997731 /nfs/dbraw/zinc/99/77/31/959997731.db2.gz PLHAGYISLYOIDU-LBPRGKRZSA-N 1 2 217.316 2.367 20 30 BEEDLO Cc1c[nH]c(C[N@@H+]2CCC[C@H](C#N)C2)c1C ZINC001140862873 959998678 /nfs/dbraw/zinc/99/86/78/959998678.db2.gz PLHAGYISLYOIDU-GFCCVEGCSA-N 1 2 217.316 2.367 20 30 BEEDLO Cc1c[nH]c(C[N@H+]2CCC[C@H](C#N)C2)c1C ZINC001140862873 959998685 /nfs/dbraw/zinc/99/86/85/959998685.db2.gz PLHAGYISLYOIDU-GFCCVEGCSA-N 1 2 217.316 2.367 20 30 BEEDLO N#CCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000398991698 1165912716 /nfs/dbraw/zinc/91/27/16/1165912716.db2.gz MADMFOCDVPGMEQ-UHFFFAOYSA-N 1 2 227.267 2.030 20 30 BEEDLO C[C@H](C[N@@H+]1CC[C@@](C)(C#N)C1)C(F)(F)F ZINC001208899465 969292750 /nfs/dbraw/zinc/29/27/50/969292750.db2.gz GEROFVCRTBLCIQ-BDAKNGLRSA-N 1 2 220.238 2.420 20 30 BEEDLO C[C@H](C[N@H+]1CC[C@@](C)(C#N)C1)C(F)(F)F ZINC001208899465 969292762 /nfs/dbraw/zinc/29/27/62/969292762.db2.gz GEROFVCRTBLCIQ-BDAKNGLRSA-N 1 2 220.238 2.420 20 30 BEEDLO C=CCCC[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209156979 969358737 /nfs/dbraw/zinc/35/87/37/969358737.db2.gz MOOZBFPOILTVJD-SNVBAGLBSA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCCC[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001209156979 969358743 /nfs/dbraw/zinc/35/87/43/969358743.db2.gz MOOZBFPOILTVJD-SNVBAGLBSA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCCCC[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001209201724 969388082 /nfs/dbraw/zinc/38/80/82/969388082.db2.gz OWTUGXLTPWVCJD-NSHDSACASA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCCCC[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001209201724 969388086 /nfs/dbraw/zinc/38/80/86/969388086.db2.gz OWTUGXLTPWVCJD-NSHDSACASA-N 1 2 233.302 2.435 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@H](F)C2)C1 ZINC001254660224 969771567 /nfs/dbraw/zinc/77/15/67/969771567.db2.gz GTLKRZADEJZHMY-OPRDCNLKSA-N 1 2 232.249 2.358 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)[C@H](F)C2)C1 ZINC001254660224 969771572 /nfs/dbraw/zinc/77/15/72/969771572.db2.gz GTLKRZADEJZHMY-OPRDCNLKSA-N 1 2 232.249 2.358 20 30 BEEDLO CCCC[C@H](CC(C)C)N1CC[NH2+]C[C@H]1C#N ZINC001173258449 975102990 /nfs/dbraw/zinc/10/29/90/975102990.db2.gz UXQCPJNNLLCRMA-ZIAGYGMSSA-N 1 2 237.391 2.389 20 30 BEEDLO C=CC[N@@H+](C)Cc1c(F)ccc(N)c1F ZINC000309130615 1167257472 /nfs/dbraw/zinc/25/74/72/1167257472.db2.gz XTCZNWMOBCERNM-UHFFFAOYSA-N 1 2 212.243 2.165 20 30 BEEDLO C=CC[N@H+](C)Cc1c(F)ccc(N)c1F ZINC000309130615 1167257478 /nfs/dbraw/zinc/25/74/78/1167257478.db2.gz XTCZNWMOBCERNM-UHFFFAOYSA-N 1 2 212.243 2.165 20 30 BEEDLO CCCCN(CC#N)Cc1ccc(N)[nH+]c1C ZINC001232341954 978017080 /nfs/dbraw/zinc/01/70/80/978017080.db2.gz HFLKNISJNPEXOK-UHFFFAOYSA-N 1 2 232.331 2.098 20 30 BEEDLO N#Cc1cc[nH]c1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001233047247 978436670 /nfs/dbraw/zinc/43/66/70/978436670.db2.gz SVDPMUFWCDTFSK-JTQLQIEISA-N 1 2 239.269 2.363 20 30 BEEDLO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001233047247 978436676 /nfs/dbraw/zinc/43/66/76/978436676.db2.gz SVDPMUFWCDTFSK-JTQLQIEISA-N 1 2 239.269 2.363 20 30 BEEDLO C#CC[N@@H+](C)Cc1c(O)cc(OC)cc1Cl ZINC001236803578 979736606 /nfs/dbraw/zinc/73/66/06/979736606.db2.gz PBLQEOGVIVXMBG-UHFFFAOYSA-N 1 2 239.702 2.119 20 30 BEEDLO C#CC[N@H+](C)Cc1c(O)cc(OC)cc1Cl ZINC001236803578 979736623 /nfs/dbraw/zinc/73/66/23/979736623.db2.gz PBLQEOGVIVXMBG-UHFFFAOYSA-N 1 2 239.702 2.119 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(OC(F)F)cc1F ZINC001184115552 979954104 /nfs/dbraw/zinc/95/41/04/979954104.db2.gz IHJVDWLJNIDYTG-UHFFFAOYSA-N 1 2 243.228 2.492 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(OC(F)F)cc1F ZINC001184115552 979954115 /nfs/dbraw/zinc/95/41/15/979954115.db2.gz IHJVDWLJNIDYTG-UHFFFAOYSA-N 1 2 243.228 2.492 20 30 BEEDLO N#CCNc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001163186917 1168403587 /nfs/dbraw/zinc/40/35/87/1168403587.db2.gz OOLVPSWIXQENOZ-UHFFFAOYSA-N 1 2 227.311 2.321 20 30 BEEDLO C#CCNc1cc[nH+]c(OCc2ccccn2)c1 ZINC001163372738 1168410509 /nfs/dbraw/zinc/41/05/09/1168410509.db2.gz UGWLBPSOZIMCSS-UHFFFAOYSA-N 1 2 239.278 2.101 20 30 BEEDLO Cc1cc(C)c(NC(=O)NCCC#N)c(C)[nH+]1 ZINC000334706822 980326545 /nfs/dbraw/zinc/32/65/45/980326545.db2.gz WDLWAEOQTGQKBQ-UHFFFAOYSA-N 1 2 232.287 2.042 20 30 BEEDLO C[C@H](C#N)[N@H+](C)C1CCC(CC#N)CC1 ZINC001173337105 1168688165 /nfs/dbraw/zinc/68/81/65/1168688165.db2.gz ZMKTWSDNBGYTDE-VOMCLLRMSA-N 1 2 205.305 2.303 20 30 BEEDLO C[C@H](C#N)[N@@H+](C)C1CCC(CC#N)CC1 ZINC001173337105 1168688166 /nfs/dbraw/zinc/68/81/66/1168688166.db2.gz ZMKTWSDNBGYTDE-VOMCLLRMSA-N 1 2 205.305 2.303 20 30 BEEDLO CC#CC[N@@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC001195876975 982368662 /nfs/dbraw/zinc/36/86/62/982368662.db2.gz PZZYZLNHMQHJMA-VXGBXAGGSA-N 1 2 237.343 2.204 20 30 BEEDLO CC#CC[N@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC001195876975 982368674 /nfs/dbraw/zinc/36/86/74/982368674.db2.gz PZZYZLNHMQHJMA-VXGBXAGGSA-N 1 2 237.343 2.204 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC001137048034 1168829309 /nfs/dbraw/zinc/82/93/09/1168829309.db2.gz ZSLSOQFKWMFMJC-LBPRGKRZSA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC001137048034 1168829327 /nfs/dbraw/zinc/82/93/27/1168829327.db2.gz ZSLSOQFKWMFMJC-LBPRGKRZSA-N 1 2 240.310 2.298 20 30 BEEDLO C=CCNC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001202569711 1168950993 /nfs/dbraw/zinc/95/09/93/1168950993.db2.gz NJUQDSOEPIILBC-UHFFFAOYSA-N 1 2 242.282 2.180 20 30 BEEDLO N#C[C@@H]1CC[C@@H](NCc2[nH+]cn3ccccc23)C1 ZINC001254649005 1169237298 /nfs/dbraw/zinc/23/72/98/1169237298.db2.gz POLODKSJJIEFJK-VXGBXAGGSA-N 1 2 240.310 2.116 20 30 BEEDLO C=CC[N@@H+](C)Cc1c(F)cccc1OC ZINC001138385009 1169355951 /nfs/dbraw/zinc/35/59/51/1169355951.db2.gz DQDPTMXGFHHCPI-UHFFFAOYSA-N 1 2 209.264 2.452 20 30 BEEDLO C=CC[N@H+](C)Cc1c(F)cccc1OC ZINC001138385009 1169355962 /nfs/dbraw/zinc/35/59/62/1169355962.db2.gz DQDPTMXGFHHCPI-UHFFFAOYSA-N 1 2 209.264 2.452 20 30 BEEDLO N#Cc1cc(F)cc(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001139878310 1169367863 /nfs/dbraw/zinc/36/78/63/1169367863.db2.gz HNILVDGUGAVEGN-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1cc(F)cc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC001139878310 1169367871 /nfs/dbraw/zinc/36/78/71/1169367871.db2.gz HNILVDGUGAVEGN-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO CCCC1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001246596953 973013038 /nfs/dbraw/zinc/01/30/38/973013038.db2.gz ZWJJUTUUQDAIQR-JXQTWKCFSA-N 1 2 235.375 2.143 20 30 BEEDLO C#Cc1cc(Nc2ccc(C)c(C#N)c2)cc[nH+]1 ZINC001216073060 970921461 /nfs/dbraw/zinc/92/14/61/970921461.db2.gz OTPMLLQKVUJPFD-UHFFFAOYSA-N 1 2 233.274 2.409 20 30 BEEDLO CC(C)=CCC[C@@H](C)CN1CC[NH2+]C[C@H]1C#N ZINC001210122431 1169517752 /nfs/dbraw/zinc/51/77/52/1169517752.db2.gz QMLFTOVOSAAUTF-ZIAGYGMSSA-N 1 2 235.375 2.166 20 30 BEEDLO N#C[C@H]1C[NH2+]CCN1CCCC1CCCCC1 ZINC001210123054 1169518354 /nfs/dbraw/zinc/51/83/54/1169518354.db2.gz YELLCTLYVZXQAA-AWEZNQCLSA-N 1 2 235.375 2.144 20 30 BEEDLO Cc1cc(N)nc(SCC2(C#N)CCCC2)[nH+]1 ZINC000405122814 971202096 /nfs/dbraw/zinc/20/20/96/971202096.db2.gz JNDIIKRFMSPQSN-UHFFFAOYSA-N 1 2 248.355 2.374 20 30 BEEDLO CCCCCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001257363768 971284259 /nfs/dbraw/zinc/28/42/59/971284259.db2.gz ZFNYGANEBJTHRG-MNOVXSKESA-N 1 2 247.404 2.406 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCC2(COC2)CC1 ZINC001257897502 971530953 /nfs/dbraw/zinc/53/09/53/971530953.db2.gz BIIDVADFGBKLGI-CYBMUJFWSA-N 1 2 236.359 2.473 20 30 BEEDLO N#C[C@H]1CCCC[N@@H+]1C1CCC2(COC2)CC1 ZINC001257910660 971540373 /nfs/dbraw/zinc/54/03/73/971540373.db2.gz GTVVXUVNTVQNCK-CYBMUJFWSA-N 1 2 234.343 2.324 20 30 BEEDLO N#C[C@H]1CCCC[N@H+]1C1CCC2(COC2)CC1 ZINC001257910660 971540380 /nfs/dbraw/zinc/54/03/80/971540380.db2.gz GTVVXUVNTVQNCK-CYBMUJFWSA-N 1 2 234.343 2.324 20 30 BEEDLO CC(C)[NH+]1CC(Oc2ccc(F)cc2C#N)C1 ZINC001227026305 1169618584 /nfs/dbraw/zinc/61/85/84/1169618584.db2.gz UFZIUQRJTYLVJT-UHFFFAOYSA-N 1 2 234.274 2.169 20 30 BEEDLO C#Cc1cccc(C[N@H+](C)Cc2ccon2)c1 ZINC001231664248 1169681480 /nfs/dbraw/zinc/68/14/80/1169681480.db2.gz YBTVLLBYWAYYNQ-UHFFFAOYSA-N 1 2 226.279 2.288 20 30 BEEDLO C#Cc1cccc(C[N@@H+](C)Cc2ccon2)c1 ZINC001231664248 1169681484 /nfs/dbraw/zinc/68/14/84/1169681484.db2.gz YBTVLLBYWAYYNQ-UHFFFAOYSA-N 1 2 226.279 2.288 20 30 BEEDLO SCCCNc1ccc(N2CCCC2)[nH+]c1 ZINC001171004133 972231573 /nfs/dbraw/zinc/23/15/73/972231573.db2.gz RXLXQTCFZAJAOI-UHFFFAOYSA-N 1 2 237.372 2.414 20 30 BEEDLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000705284951 957072592 /nfs/dbraw/zinc/07/25/92/957072592.db2.gz KEPRVUNFRVLTAN-QMTHXVAHSA-N 1 2 248.301 2.043 20 30 BEEDLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000705284951 957072604 /nfs/dbraw/zinc/07/26/04/957072604.db2.gz KEPRVUNFRVLTAN-QMTHXVAHSA-N 1 2 248.301 2.043 20 30 BEEDLO C#Cc1cc(Nc2cc(C#N)ccc2C)cc[nH+]1 ZINC001210498923 957767949 /nfs/dbraw/zinc/76/79/49/957767949.db2.gz UHGCKVUIVFANHO-UHFFFAOYSA-N 1 2 233.274 2.409 20 30 BEEDLO N#C[C@H](OCCn1cc[nH+]c1)c1ccccc1F ZINC001222139745 972381148 /nfs/dbraw/zinc/38/11/48/972381148.db2.gz VYLOJQBETRULBD-ZDUSSCGKSA-N 1 2 245.257 2.304 20 30 BEEDLO CC(C)(C)c1cn(C[C@@H](O)CC2(C#N)CC2)c[nH+]1 ZINC001352084117 959796852 /nfs/dbraw/zinc/79/68/52/959796852.db2.gz LKCLKXQKTSHSNT-NSHDSACASA-N 1 2 247.342 2.235 20 30 BEEDLO C=CC[C@H](C)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001144011713 972476375 /nfs/dbraw/zinc/47/63/75/972476375.db2.gz CRONWVGQMFCYNS-JTQLQIEISA-N 1 2 230.311 2.143 20 30 BEEDLO Cc1cc(C)nc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000700498898 960135982 /nfs/dbraw/zinc/13/59/82/960135982.db2.gz QJYJRKNJPZGUPE-ZDUSSCGKSA-N 1 2 244.342 2.219 20 30 BEEDLO Cc1cc(C)nc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000700498898 960135989 /nfs/dbraw/zinc/13/59/89/960135989.db2.gz QJYJRKNJPZGUPE-ZDUSSCGKSA-N 1 2 244.342 2.219 20 30 BEEDLO C=CC[C@@H](C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001144017358 972483636 /nfs/dbraw/zinc/48/36/36/972483636.db2.gz KRTPGHMLBKZFOX-NEPJUHHUSA-N 1 2 247.342 2.328 20 30 BEEDLO C=CC[N@@H+](C)Cc1cc(Cl)ncc1F ZINC001140610869 960458974 /nfs/dbraw/zinc/45/89/74/960458974.db2.gz MSXMEAMWQDDWGE-UHFFFAOYSA-N 1 2 214.671 2.492 20 30 BEEDLO C=CC[N@H+](C)Cc1cc(Cl)ncc1F ZINC001140610869 960458984 /nfs/dbraw/zinc/45/89/84/960458984.db2.gz MSXMEAMWQDDWGE-UHFFFAOYSA-N 1 2 214.671 2.492 20 30 BEEDLO C=CCn1cc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001222386703 960578032 /nfs/dbraw/zinc/57/80/32/960578032.db2.gz OXGWLVKYZWVTGM-UHFFFAOYSA-N 1 2 224.267 2.384 20 30 BEEDLO CC[N@H+](CCC#N)Cc1[nH]cc(C)c1C ZINC001140860543 960640492 /nfs/dbraw/zinc/64/04/92/960640492.db2.gz VHXYTTXEGIQSFW-UHFFFAOYSA-N 1 2 205.305 2.367 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1[nH]cc(C)c1C ZINC001140860543 960640507 /nfs/dbraw/zinc/64/05/07/960640507.db2.gz VHXYTTXEGIQSFW-UHFFFAOYSA-N 1 2 205.305 2.367 20 30 BEEDLO C[C@]1(C#N)CCN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141049982 960842424 /nfs/dbraw/zinc/84/24/24/960842424.db2.gz VUFNBYXUCILKGU-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccn3ccnc3c2)C1 ZINC001141049982 960842433 /nfs/dbraw/zinc/84/24/33/960842433.db2.gz VUFNBYXUCILKGU-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccn3ccnc3c2)C1 ZINC001141049982 960842438 /nfs/dbraw/zinc/84/24/38/960842438.db2.gz VUFNBYXUCILKGU-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO CCCCc1[nH]c(CN2CCC[C@H]2C#N)c[nH+]1 ZINC001141067083 960852566 /nfs/dbraw/zinc/85/25/66/960852566.db2.gz RKGHGPQJWVLEEH-LBPRGKRZSA-N 1 2 232.331 2.240 20 30 BEEDLO CCCCc1[nH]cc(CN2CCC[C@H]2C#N)[nH+]1 ZINC001141067083 960852574 /nfs/dbraw/zinc/85/25/74/960852574.db2.gz RKGHGPQJWVLEEH-LBPRGKRZSA-N 1 2 232.331 2.240 20 30 BEEDLO C#Cc1cc(Nc2ccc(C)c(O)c2)cc[nH+]1 ZINC001211688171 960897522 /nfs/dbraw/zinc/89/75/22/960897522.db2.gz DWTDGICAZMCFFZ-UHFFFAOYSA-N 1 2 224.263 2.242 20 30 BEEDLO N#CCC1C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508862 961468911 /nfs/dbraw/zinc/46/89/11/961468911.db2.gz OHZJOHSVEDDBAW-UHFFFAOYSA-N 1 2 238.237 2.016 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](CC)CCC)C1 ZINC001268466636 961844019 /nfs/dbraw/zinc/84/40/19/961844019.db2.gz MHBRERYWJJWJEC-GFCCVEGCSA-N 1 2 238.375 2.189 20 30 BEEDLO N#CC1(Nc2cc(-n3cc[nH+]c3)ccn2)CCC1 ZINC001154919502 962902554 /nfs/dbraw/zinc/90/25/54/962902554.db2.gz BHUKIJYDBGGOCB-UHFFFAOYSA-N 1 2 239.282 2.125 20 30 BEEDLO C#Cc1cc(Nc2csc(C(C)=O)c2)cc[nH+]1 ZINC001214771630 962936862 /nfs/dbraw/zinc/93/68/62/962936862.db2.gz YPLZGTJZFQOXLM-UHFFFAOYSA-N 1 2 242.303 2.493 20 30 BEEDLO CC#CCCCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001157119124 963534812 /nfs/dbraw/zinc/53/48/12/963534812.db2.gz KLFWLTMMVQLFAD-UHFFFAOYSA-N 1 2 247.342 2.343 20 30 BEEDLO CC#CCCCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001157119124 963534816 /nfs/dbraw/zinc/53/48/16/963534816.db2.gz KLFWLTMMVQLFAD-UHFFFAOYSA-N 1 2 247.342 2.343 20 30 BEEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@H]4C[C@H]43)c12 ZINC001157143294 963542715 /nfs/dbraw/zinc/54/27/15/963542715.db2.gz HGXYVAYDLLHOAF-JOYOIKCWSA-N 1 2 238.294 2.423 20 30 BEEDLO N#CCc1cc[nH+]c(NC[C@H]2C[C@H](F)C2)c1 ZINC001157456391 963615747 /nfs/dbraw/zinc/61/57/47/963615747.db2.gz GNEIOLRKRALPQW-XYPYZODXSA-N 1 2 219.263 2.308 20 30 BEEDLO C[C@H]1C[C@H]([NH2+]C2(C#N)CCCCC2)CCO1 ZINC001168078222 963621048 /nfs/dbraw/zinc/62/10/48/963621048.db2.gz LUBKKIFFILVSGR-NWDGAFQWSA-N 1 2 222.332 2.370 20 30 BEEDLO C#Cc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1 ZINC001158766947 963921177 /nfs/dbraw/zinc/92/11/77/963921177.db2.gz AUAZTDVUZRAOCX-LLVKDONJSA-N 1 2 239.278 2.064 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(C)CC1 ZINC001168193186 963955552 /nfs/dbraw/zinc/95/55/52/963955552.db2.gz RCUBDQUWOJTULK-ILDUYXDCSA-N 1 2 245.388 2.016 20 30 BEEDLO CC(C)(S)CNc1cc(CC#N)cc[nH+]1 ZINC001159268201 964044224 /nfs/dbraw/zinc/04/42/24/964044224.db2.gz OPAPHQDDIHBSIG-UHFFFAOYSA-N 1 2 221.329 2.268 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001142545269 964377217 /nfs/dbraw/zinc/37/72/17/964377217.db2.gz XVFWYXXSFGEZJJ-HNNXBMFYSA-N 1 2 248.370 2.063 20 30 BEEDLO C[C@@H]1C[C@H](Nc2cc(CC#N)cc[nH+]2)CCO1 ZINC001161695062 964691395 /nfs/dbraw/zinc/69/13/95/964691395.db2.gz ZXTMCMMHDQUUGR-ZYHUDNBSSA-N 1 2 231.299 2.127 20 30 BEEDLO Cc1cc(N(C)C)[nH+]cc1NC1(C#N)CCC1 ZINC001162309693 964922976 /nfs/dbraw/zinc/92/29/76/964922976.db2.gz TWUFYUMQAKKPQU-UHFFFAOYSA-N 1 2 230.315 2.314 20 30 BEEDLO CC(C)C[C@@](C)(C#N)Nc1cc(N)cc[nH+]1 ZINC001162516233 965011055 /nfs/dbraw/zinc/01/10/55/965011055.db2.gz CBAVACOBBURHGK-LBPRGKRZSA-N 1 2 218.304 2.404 20 30 BEEDLO CC(C)(C)C(=[NH2+])Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC001162654593 965089393 /nfs/dbraw/zinc/08/93/93/965089393.db2.gz CGVIQSMWNOMGET-UHFFFAOYSA-N 1 2 247.258 2.297 20 30 BEEDLO COc1cnc(NC(=[NH2+])C(C)(C)C)c(C#N)c1 ZINC001162656760 965094507 /nfs/dbraw/zinc/09/45/07/965094507.db2.gz CHXMGOCUVFYHJK-UHFFFAOYSA-N 1 2 232.287 2.397 20 30 BEEDLO CC(C)Oc1ccc(C[NH+]2CC(CC#N)C2)cn1 ZINC001231532192 965267545 /nfs/dbraw/zinc/26/75/45/965267545.db2.gz RISBQFRNLBCFNY-UHFFFAOYSA-N 1 2 245.326 2.214 20 30 BEEDLO C=C(C)CNc1cc(C(=O)OC)cc2[nH+]c[nH]c21 ZINC001163378207 965381199 /nfs/dbraw/zinc/38/11/99/965381199.db2.gz FIWDRFVBHIYTEA-UHFFFAOYSA-N 1 2 245.282 2.338 20 30 BEEDLO N#CCc1cc[nH+]c(N2C[C@H]3[C@H](CC3(F)F)C2)c1 ZINC001165294752 966032372 /nfs/dbraw/zinc/03/23/72/966032372.db2.gz APOGDTBIMSUEST-MNOVXSKESA-N 1 2 249.264 2.239 20 30 BEEDLO COc1ccc(-c2ccc(N)[nH+]c2)c(CC#N)c1 ZINC001236313759 966362904 /nfs/dbraw/zinc/36/29/04/966362904.db2.gz WLPIFLXMPDCYLV-UHFFFAOYSA-N 1 2 239.278 2.405 20 30 BEEDLO C#C[C@@H]1CCCN(c2cc(COC)cc[nH+]2)C1 ZINC001167005656 966514370 /nfs/dbraw/zinc/51/43/70/966514370.db2.gz FMQWWNMUDRRQFJ-GFCCVEGCSA-N 1 2 230.311 2.078 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)o1 ZINC001203290640 966602118 /nfs/dbraw/zinc/60/21/18/966602118.db2.gz OPLIAYYPQBRLDX-GFCCVEGCSA-N 1 2 249.335 2.362 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)o1 ZINC001203290640 966602124 /nfs/dbraw/zinc/60/21/24/966602124.db2.gz OPLIAYYPQBRLDX-GFCCVEGCSA-N 1 2 249.335 2.362 20 30 BEEDLO N#C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664011 966725253 /nfs/dbraw/zinc/72/52/53/966725253.db2.gz LDMIDGNGGJKSKN-VIFPVBQESA-N 1 2 236.702 2.391 20 30 BEEDLO N#C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664011 966725256 /nfs/dbraw/zinc/72/52/56/966725256.db2.gz LDMIDGNGGJKSKN-VIFPVBQESA-N 1 2 236.702 2.391 20 30 BEEDLO C#Cc1cc(Nc2ccc(C#N)c(F)c2)cc[nH+]1 ZINC001204028307 966857979 /nfs/dbraw/zinc/85/79/79/966857979.db2.gz LQYMALGIRLOPBD-UHFFFAOYSA-N 1 2 237.237 2.239 20 30 BEEDLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccccc1C#N ZINC001204368645 966980044 /nfs/dbraw/zinc/98/00/44/966980044.db2.gz RXKVVPUDXVAMCF-MFKMUULPSA-N 1 2 218.275 2.491 20 30 BEEDLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccccc1C#N ZINC001204368645 966980048 /nfs/dbraw/zinc/98/00/48/966980048.db2.gz RXKVVPUDXVAMCF-MFKMUULPSA-N 1 2 218.275 2.491 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001204368186 966980472 /nfs/dbraw/zinc/98/04/72/966980472.db2.gz KSBGXPVXXCMPJF-IHRRRGAJSA-N 1 2 230.286 2.348 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001204368186 966980479 /nfs/dbraw/zinc/98/04/79/966980479.db2.gz KSBGXPVXXCMPJF-IHRRRGAJSA-N 1 2 230.286 2.348 20 30 BEEDLO C=CCN1CC[NH+](Cc2ccc(CC)o2)CC1 ZINC001204394058 966993714 /nfs/dbraw/zinc/99/37/14/966993714.db2.gz XRBSPJCTFVBZAC-UHFFFAOYSA-N 1 2 234.343 2.146 20 30 BEEDLO N#Cc1c(F)cc(-c2cc[nH+]c(N)c2)cc1F ZINC001239921145 967254121 /nfs/dbraw/zinc/25/41/21/967254121.db2.gz UZMZCYCRXVCZDL-UHFFFAOYSA-N 1 2 231.205 2.481 20 30 BEEDLO Cc1[nH+]cc(Cc2ccccc2C#N)cc1N ZINC001250046064 967301483 /nfs/dbraw/zinc/30/14/83/967301483.db2.gz NSILEBZCHPUPQV-UHFFFAOYSA-N 1 2 223.279 2.435 20 30 BEEDLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(C#N)cn1 ZINC001250463665 967888956 /nfs/dbraw/zinc/88/89/56/967888956.db2.gz GJFLVHPOGQGIRT-UHFFFAOYSA-N 1 2 238.294 2.390 20 30 BEEDLO N#Cc1ccc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001250464198 967891791 /nfs/dbraw/zinc/89/17/91/967891791.db2.gz XCDPHYZRSZVINO-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO C=CCCc1[nH]c2cc3c(cc2[nH+]1)OCC(=O)N3 ZINC001250598834 968137728 /nfs/dbraw/zinc/13/77/28/968137728.db2.gz DXXIVHKNRJYMDF-UHFFFAOYSA-N 1 2 243.266 2.012 20 30 BEEDLO C#CCCc1[nH]c2ccc(OCOC)cc2[nH+]1 ZINC001250606409 968152552 /nfs/dbraw/zinc/15/25/52/968152552.db2.gz MXZBUALGWAXZTK-UHFFFAOYSA-N 1 2 230.267 2.111 20 30 BEEDLO CSc1cc(Nc2ccnc(C#N)c2)cc[nH+]1 ZINC001206607052 968413368 /nfs/dbraw/zinc/41/33/68/968413368.db2.gz JADTZYMXOBUNDH-UHFFFAOYSA-N 1 2 242.307 2.236 20 30 BEEDLO C=C[C@H](COC)[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC001119702165 968459091 /nfs/dbraw/zinc/45/90/91/968459091.db2.gz YZDIKKVBHTXLGS-GHMZBOCLSA-N 1 2 236.315 2.151 20 30 BEEDLO Fc1cnc(C[NH+]2CCC(S)CC2)c(F)c1 ZINC001207096417 968625451 /nfs/dbraw/zinc/62/54/51/968625451.db2.gz FNFBZOIGXLBXDI-UHFFFAOYSA-N 1 2 244.310 2.254 20 30 BEEDLO CCn1ccnc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001207146426 968657732 /nfs/dbraw/zinc/65/77/32/968657732.db2.gz QRKBXLFVXRKAGK-GFCCVEGCSA-N 1 2 232.331 2.029 20 30 BEEDLO CCn1ccnc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001207146426 968657734 /nfs/dbraw/zinc/65/77/34/968657734.db2.gz QRKBXLFVXRKAGK-GFCCVEGCSA-N 1 2 232.331 2.029 20 30 BEEDLO CC1(C)C[C@@H](C[N@@H+]2CCC[C@H]2C#N)CCO1 ZINC001207349803 968730636 /nfs/dbraw/zinc/73/06/36/968730636.db2.gz GCNGFDVTJANNMK-RYUDHWBXSA-N 1 2 222.332 2.180 20 30 BEEDLO CC1(C)C[C@@H](C[N@H+]2CCC[C@H]2C#N)CCO1 ZINC001207349803 968730642 /nfs/dbraw/zinc/73/06/42/968730642.db2.gz GCNGFDVTJANNMK-RYUDHWBXSA-N 1 2 222.332 2.180 20 30 BEEDLO C=CCC[C@H](O)CNc1ccc(N(C)CC)[nH+]c1 ZINC001252592438 968850751 /nfs/dbraw/zinc/85/07/51/968850751.db2.gz SWDNNQQSYXTBCX-ZDUSSCGKSA-N 1 2 249.358 2.277 20 30 BEEDLO C=C[C@H](O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001253592771 969283829 /nfs/dbraw/zinc/28/38/29/969283829.db2.gz XHFKZVIVZLHANM-LBPRGKRZSA-N 1 2 229.283 2.036 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)[nH]1 ZINC001209571479 969554903 /nfs/dbraw/zinc/55/49/03/969554903.db2.gz GDRPQPFCFCCMGG-LBPRGKRZSA-N 1 2 248.351 2.097 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)[nH]1 ZINC001209571479 969554911 /nfs/dbraw/zinc/55/49/11/969554911.db2.gz GDRPQPFCFCCMGG-LBPRGKRZSA-N 1 2 248.351 2.097 20 30 BEEDLO N#Cc1cnoc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209842453 969651742 /nfs/dbraw/zinc/65/17/42/969651742.db2.gz KHQRSKMDQKYVDY-UHFFFAOYSA-N 1 2 225.211 2.166 20 30 BEEDLO N#CCC1(O)C[NH+](CC/C=C/c2ccccc2)C1 ZINC001169629904 969788895 /nfs/dbraw/zinc/78/88/95/969788895.db2.gz RQHQDSMTHYLSLV-XBXARRHUSA-N 1 2 242.322 2.050 20 30 BEEDLO Cc1c[nH+]ccc1NC1=CC(=O)CC(C)(C)C1 ZINC001210150024 969813202 /nfs/dbraw/zinc/81/32/02/969813202.db2.gz LCWBAZMKVHOCCS-UHFFFAOYSA-N 1 2 230.311 2.497 20 30 BEEDLO CC#CCC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC001254919478 969819282 /nfs/dbraw/zinc/81/92/82/969819282.db2.gz NURDGAZAQJKQEV-CQSZACIVSA-N 1 2 245.322 2.246 20 30 BEEDLO CC#CCC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC001254919478 969819285 /nfs/dbraw/zinc/81/92/85/969819285.db2.gz NURDGAZAQJKQEV-CQSZACIVSA-N 1 2 245.322 2.246 20 30 BEEDLO N#CC1([NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)CCCC1 ZINC001254924623 969824434 /nfs/dbraw/zinc/82/44/34/969824434.db2.gz MRLYUKUPFHUEIQ-GHMZBOCLSA-N 1 2 232.327 2.170 20 30 BEEDLO C=C(C)C[C@H](OCC[NH+]1CCOCC1)C(=C)C ZINC001210225224 969838264 /nfs/dbraw/zinc/83/82/64/969838264.db2.gz ODGISRFPHAUWBF-AWEZNQCLSA-N 1 2 239.359 2.246 20 30 BEEDLO C=C[C@@H](OCC[NH+]1CCOCC1)c1ccccc1 ZINC001210224797 969839385 /nfs/dbraw/zinc/83/93/85/969839385.db2.gz IOBBTKUXVBLZGH-OAHLLOKOSA-N 1 2 247.338 2.263 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+]1C1Cc2ccccc2C1 ZINC001255019823 969849589 /nfs/dbraw/zinc/84/95/89/969849589.db2.gz MYQFCTHEHGQYJS-ZDUSSCGKSA-N 1 2 212.296 2.142 20 30 BEEDLO N#C[C@@H]1CCC[N@H+]1C1Cc2ccccc2C1 ZINC001255019823 969849590 /nfs/dbraw/zinc/84/95/90/969849590.db2.gz MYQFCTHEHGQYJS-ZDUSSCGKSA-N 1 2 212.296 2.142 20 30 BEEDLO COc1cc[nH+]c(NC2=CC(=O)C[C@H](C)C2)c1 ZINC001210767030 970014627 /nfs/dbraw/zinc/01/46/27/970014627.db2.gz SIAPBYBHBSJMLU-SECBINFHSA-N 1 2 232.283 2.385 20 30 BEEDLO C[C@H]1CC(=O)C=C(c2ccc(N)[nH+]c2)C1 ZINC001242740642 970038263 /nfs/dbraw/zinc/03/82/63/970038263.db2.gz FQISBIREXOJTJE-MRVPVSSYSA-N 1 2 202.257 2.046 20 30 BEEDLO C[C@@H]1CC(=O)C=C(c2ccc(N)[nH+]c2)C1 ZINC001242740643 970039442 /nfs/dbraw/zinc/03/94/42/970039442.db2.gz FQISBIREXOJTJE-QMMMGPOBSA-N 1 2 202.257 2.046 20 30 BEEDLO C[C@H]1CC(=O)C=C(c2cc[nH+]c(N)c2)C1 ZINC001242740744 970041918 /nfs/dbraw/zinc/04/19/18/970041918.db2.gz HHKOPCJSNIWTEF-MRVPVSSYSA-N 1 2 202.257 2.046 20 30 BEEDLO C#Cc1cc(Nc2c[nH]c3ncccc23)cc[nH+]1 ZINC001210938903 970075742 /nfs/dbraw/zinc/07/57/42/970075742.db2.gz QCYCEZARWUFMJM-UHFFFAOYSA-N 1 2 234.262 2.105 20 30 BEEDLO C[Si](C)(C)C#Cc1ccnc(NC=[NH2+])c1 ZINC001157080483 970078941 /nfs/dbraw/zinc/07/89/41/970078941.db2.gz WUTVGAHGEFSYPS-UHFFFAOYSA-N 1 2 217.348 2.329 20 30 BEEDLO COC1CCC([NH2+]C2(C#N)CCCC2)CC1 ZINC001255449249 970184480 /nfs/dbraw/zinc/18/44/80/970184480.db2.gz MHPPDBTUNRWBAJ-UHFFFAOYSA-N 1 2 222.332 2.370 20 30 BEEDLO Cc1cc(C)c(Nc2nnccc2C#N)c[nH+]1 ZINC001213510518 970341551 /nfs/dbraw/zinc/34/15/51/970341551.db2.gz DPOUELONHWMQFO-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO C=CCCC1(C(=O)N2CC[NH+](CC=C)CC2)CC1 ZINC001113310990 970406498 /nfs/dbraw/zinc/40/64/98/970406498.db2.gz XFZPYCPINRXZON-UHFFFAOYSA-N 1 2 248.370 2.063 20 30 BEEDLO Cc1ccc(Nc2cncc(C#N)n2)c(C)[nH+]1 ZINC000401248132 970673969 /nfs/dbraw/zinc/67/39/69/970673969.db2.gz ZXRMZPRTPPWEFX-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO COc1cc[nH+]cc1NCC(C)(C)S ZINC001170306121 970706226 /nfs/dbraw/zinc/70/62/26/970706226.db2.gz QXROFKVSMKUKLZ-UHFFFAOYSA-N 1 2 212.318 2.211 20 30 BEEDLO Cc1c(O)cccc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001144118423 972588717 /nfs/dbraw/zinc/58/87/17/972588717.db2.gz VMYCECFQIMJSIG-NSHDSACASA-N 1 2 216.284 2.046 20 30 BEEDLO Cc1c(O)cccc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001144118423 972588725 /nfs/dbraw/zinc/58/87/25/972588725.db2.gz VMYCECFQIMJSIG-NSHDSACASA-N 1 2 216.284 2.046 20 30 BEEDLO Cc1c(O)cccc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001144118422 972590731 /nfs/dbraw/zinc/59/07/31/972590731.db2.gz VMYCECFQIMJSIG-LLVKDONJSA-N 1 2 216.284 2.046 20 30 BEEDLO Cc1c(O)cccc1C[N@H+]1CC[C@H](C#N)C1 ZINC001144118422 972590735 /nfs/dbraw/zinc/59/07/35/972590735.db2.gz VMYCECFQIMJSIG-LLVKDONJSA-N 1 2 216.284 2.046 20 30 BEEDLO Cn1c[nH+]cc1CO[C@H](C#N)c1ccccc1F ZINC001222599862 972601134 /nfs/dbraw/zinc/60/11/34/972601134.db2.gz HKVHOBSGFUGGRI-CYBMUJFWSA-N 1 2 245.257 2.341 20 30 BEEDLO C#Cc1ccc(C[NH+]2CC3(C2)CCCCO3)cc1 ZINC001144568157 972873079 /nfs/dbraw/zinc/87/30/79/972873079.db2.gz NLXOTGGFGKVICA-UHFFFAOYSA-N 1 2 241.334 2.423 20 30 BEEDLO CC(C)C[C@H](C)C[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001246590874 972992635 /nfs/dbraw/zinc/99/26/35/972992635.db2.gz DMEKIPWYMPSDIQ-BFHYXJOUSA-N 1 2 237.391 2.245 20 30 BEEDLO C[C@@H](CCCC#N)[NH2+]C1(C#N)CCCC1 ZINC001172483681 974787303 /nfs/dbraw/zinc/78/73/03/974787303.db2.gz SBWLXFKTEQKDBF-NSHDSACASA-N 1 2 205.305 2.495 20 30 BEEDLO C=C(C)n1c2ccccc2nc1OC1C[NH+](C)C1 ZINC001226215961 974830172 /nfs/dbraw/zinc/83/01/72/974830172.db2.gz FOCMASYOGJVTKM-UHFFFAOYSA-N 1 2 243.310 2.220 20 30 BEEDLO C[C@H](CCCC#N)[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001172491576 974836681 /nfs/dbraw/zinc/83/66/81/974836681.db2.gz FHSGQGRVIJUUAO-MNOVXSKESA-N 1 2 226.295 2.072 20 30 BEEDLO C[C@H](CCCC#N)[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001172491576 974836686 /nfs/dbraw/zinc/83/66/86/974836686.db2.gz FHSGQGRVIJUUAO-MNOVXSKESA-N 1 2 226.295 2.072 20 30 BEEDLO C[C@H](CCCC#N)[N@@H+]1CCC(F)(F)C1 ZINC001172491147 974837836 /nfs/dbraw/zinc/83/78/36/974837836.db2.gz CERKBNDAWMQUMN-SECBINFHSA-N 1 2 202.248 2.410 20 30 BEEDLO C[C@H](CCCC#N)[N@H+]1CCC(F)(F)C1 ZINC001172491147 974837838 /nfs/dbraw/zinc/83/78/38/974837838.db2.gz CERKBNDAWMQUMN-SECBINFHSA-N 1 2 202.248 2.410 20 30 BEEDLO CCCCCOC(=O)C[NH2+][C@@H](C)CCCC#N ZINC001172493164 974842697 /nfs/dbraw/zinc/84/26/97/974842697.db2.gz XWBWEGZDZYNYGJ-LBPRGKRZSA-N 1 2 240.347 2.392 20 30 BEEDLO CC1(C#N)CCC([N@@H+]2CCCC(=O)C2)CC1 ZINC001173600265 975464167 /nfs/dbraw/zinc/46/41/67/975464167.db2.gz XNZNXRGDFVVSSS-UHFFFAOYSA-N 1 2 220.316 2.124 20 30 BEEDLO CC1(C#N)CCC([N@H+]2CCCC(=O)C2)CC1 ZINC001173600265 975464202 /nfs/dbraw/zinc/46/42/02/975464202.db2.gz XNZNXRGDFVVSSS-UHFFFAOYSA-N 1 2 220.316 2.124 20 30 BEEDLO C=C[C@@H](COC)[NH2+]Cc1nc2ccccc2o1 ZINC001333372753 975727707 /nfs/dbraw/zinc/72/77/07/975727707.db2.gz YMABRSQAQSCLES-JTQLQIEISA-N 1 2 232.283 2.118 20 30 BEEDLO C#C[C@@H](C)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228088141 975896097 /nfs/dbraw/zinc/89/60/97/975896097.db2.gz SKVDNERENGFABI-SNVBAGLBSA-N 1 2 229.279 2.071 20 30 BEEDLO C=CC(C)(C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC001334302996 976433062 /nfs/dbraw/zinc/43/30/62/976433062.db2.gz DFLMCRYMWWWXGL-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO C=CCc1ccccc1OC1C[NH+](CC)C1 ZINC001228843434 976520234 /nfs/dbraw/zinc/52/02/34/976520234.db2.gz DRUQXSDLBYIHIM-UHFFFAOYSA-N 1 2 217.312 2.498 20 30 BEEDLO Cc1ccc([C@@H](C)C[NH+]2CC(O)(CC#N)C2)cc1 ZINC001335313021 976951885 /nfs/dbraw/zinc/95/18/85/976951885.db2.gz GKISEBJYTMBQPX-ZDUSSCGKSA-N 1 2 244.338 2.059 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2cscn2)CC1 ZINC000260032927 977155488 /nfs/dbraw/zinc/15/54/88/977155488.db2.gz NGWUXRHXSOZROK-JTQLQIEISA-N 1 2 221.329 2.269 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2cscn2)CC1 ZINC000260032927 977155493 /nfs/dbraw/zinc/15/54/93/977155493.db2.gz NGWUXRHXSOZROK-JTQLQIEISA-N 1 2 221.329 2.269 20 30 BEEDLO C#C[C@@H](C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231082457 977467527 /nfs/dbraw/zinc/46/75/27/977467527.db2.gz PQWUTIHMALYRPY-LLVKDONJSA-N 1 2 226.279 2.488 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000721595593 977502220 /nfs/dbraw/zinc/50/22/20/977502220.db2.gz BGDXKALBVGLJPT-UHFFFAOYSA-N 1 2 240.310 2.079 20 30 BEEDLO CC#CC[N@@H+]1CCC[C@@H]1c1nc(C)c(C)[nH]1 ZINC001176076217 977871263 /nfs/dbraw/zinc/87/12/63/977871263.db2.gz CQTKUGICOSARJH-GFCCVEGCSA-N 1 2 217.316 2.187 20 30 BEEDLO CC#CC[N@H+]1CCC[C@@H]1c1nc(C)c(C)[nH]1 ZINC001176076217 977871266 /nfs/dbraw/zinc/87/12/66/977871266.db2.gz CQTKUGICOSARJH-GFCCVEGCSA-N 1 2 217.316 2.187 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cc3ncccc3[nH]2)C1 ZINC001232066940 977878215 /nfs/dbraw/zinc/87/82/15/977878215.db2.gz GNHTZCMDMBKXQK-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc3ncccc3[nH]2)C1 ZINC001232066940 977878219 /nfs/dbraw/zinc/87/82/19/977878219.db2.gz GNHTZCMDMBKXQK-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C#Cc1cccnc1Nc1c[nH+]ccc1OC ZINC001176117136 977943263 /nfs/dbraw/zinc/94/32/63/977943263.db2.gz SVNXQTYELAVSQB-UHFFFAOYSA-N 1 2 225.251 2.210 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccnc(C(C)(C)C)c1 ZINC001232221365 977944311 /nfs/dbraw/zinc/94/43/11/977944311.db2.gz YBGSTQNTAPQFTR-UHFFFAOYSA-N 1 2 240.350 2.448 20 30 BEEDLO COc1cc[nH+]cc1Nc1cc(F)cnc1C#N ZINC001176121523 977952962 /nfs/dbraw/zinc/95/29/62/977952962.db2.gz KUFGHXMIPCRZJK-UHFFFAOYSA-N 1 2 244.229 2.240 20 30 BEEDLO CCCCN(CCC#N)Cc1c[nH+]c(C)[nH]1 ZINC001232461990 978100161 /nfs/dbraw/zinc/10/01/61/978100161.db2.gz HRAVFLGELFZIPJ-UHFFFAOYSA-N 1 2 220.320 2.234 20 30 BEEDLO CCCCN(CCC#N)Cc1c[nH]c(C)[nH+]1 ZINC001232461990 978100179 /nfs/dbraw/zinc/10/01/79/978100179.db2.gz HRAVFLGELFZIPJ-UHFFFAOYSA-N 1 2 220.320 2.234 20 30 BEEDLO CCc1csc(C[NH+]2CCC(C#N)CC2)n1 ZINC001232468913 978120261 /nfs/dbraw/zinc/12/02/61/978120261.db2.gz GDRSZYNLPLPNCN-UHFFFAOYSA-N 1 2 235.356 2.441 20 30 BEEDLO C[C@]1(F)CCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232478113 978130000 /nfs/dbraw/zinc/13/00/00/978130000.db2.gz STCSAVKJHNGYFR-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@]1(F)CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001232478113 978130006 /nfs/dbraw/zinc/13/00/06/978130006.db2.gz STCSAVKJHNGYFR-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO C=C1CC=C(F)C=C1NC(=O)CCn1cc[nH+]c1 ZINC001176884213 978229372 /nfs/dbraw/zinc/22/93/72/978229372.db2.gz XULJQRBRUWYHSX-UHFFFAOYSA-N 1 2 247.273 2.087 20 30 BEEDLO C#CC[C@@H]1CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001337253680 978245878 /nfs/dbraw/zinc/24/58/78/978245878.db2.gz OVFMJXXQUAICJE-LLVKDONJSA-N 1 2 218.275 2.379 20 30 BEEDLO CC1(C)[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3O)C[C@@H]21 ZINC001232678597 978246140 /nfs/dbraw/zinc/24/61/40/978246140.db2.gz JGQQBBWSPFKPIN-BETUJISGSA-N 1 2 242.322 2.352 20 30 BEEDLO CC1(C)[C@@H]2C[N@H+](Cc3cc(C#N)ccc3O)C[C@@H]21 ZINC001232678597 978246154 /nfs/dbraw/zinc/24/61/54/978246154.db2.gz JGQQBBWSPFKPIN-BETUJISGSA-N 1 2 242.322 2.352 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CF)C2)c1 ZINC001232679149 978246471 /nfs/dbraw/zinc/24/64/71/978246471.db2.gz FDRZWCMGTOFWEL-GFCCVEGCSA-N 1 2 248.301 2.445 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](CF)C2)c1 ZINC001232679149 978246482 /nfs/dbraw/zinc/24/64/82/978246482.db2.gz FDRZWCMGTOFWEL-GFCCVEGCSA-N 1 2 248.301 2.445 20 30 BEEDLO C[N@@H+](Cc1cc(C#N)ccc1O)CC1CCC1 ZINC001232680094 978248120 /nfs/dbraw/zinc/24/81/20/978248120.db2.gz XSFIOXWFMBZADH-UHFFFAOYSA-N 1 2 230.311 2.496 20 30 BEEDLO C[N@H+](Cc1cc(C#N)ccc1O)CC1CCC1 ZINC001232680094 978248125 /nfs/dbraw/zinc/24/81/25/978248125.db2.gz XSFIOXWFMBZADH-UHFFFAOYSA-N 1 2 230.311 2.496 20 30 BEEDLO CCCn1cnc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC001232802843 978289986 /nfs/dbraw/zinc/28/99/86/978289986.db2.gz GRUNTBOKXICGAT-UHFFFAOYSA-N 1 2 246.358 2.419 20 30 BEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCCC1=O ZINC001232841909 978309574 /nfs/dbraw/zinc/30/95/74/978309574.db2.gz GDFVLGFLASPRQF-JTQLQIEISA-N 1 2 248.351 2.421 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCCC1=O ZINC001232841909 978309582 /nfs/dbraw/zinc/30/95/82/978309582.db2.gz GDFVLGFLASPRQF-JTQLQIEISA-N 1 2 248.351 2.421 20 30 BEEDLO N#Cc1cccc(C[N@H+]2CCCC[C@H](F)C2)n1 ZINC001232921723 978335603 /nfs/dbraw/zinc/33/56/03/978335603.db2.gz FVYWVNHLKDBQMK-NSHDSACASA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@H](F)C2)n1 ZINC001232921723 978335610 /nfs/dbraw/zinc/33/56/10/978335610.db2.gz FVYWVNHLKDBQMK-NSHDSACASA-N 1 2 233.290 2.277 20 30 BEEDLO Cc1cc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC001233009191 978405412 /nfs/dbraw/zinc/40/54/12/978405412.db2.gz MSAFDIHDCGAJPR-CQSZACIVSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC001233009191 978405416 /nfs/dbraw/zinc/40/54/16/978405416.db2.gz MSAFDIHDCGAJPR-CQSZACIVSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cc(C[NH+]2CC(CC#N)C2)cnc1C ZINC001233155504 978474966 /nfs/dbraw/zinc/47/49/66/978474966.db2.gz DRQZKQCHQHGDQZ-UHFFFAOYSA-N 1 2 215.300 2.044 20 30 BEEDLO N#CCC1C[NH+](Cc2ccc(N)cc2Cl)C1 ZINC001233373372 978586319 /nfs/dbraw/zinc/58/63/19/978586319.db2.gz FBSBMCOIXBKGQI-UHFFFAOYSA-N 1 2 235.718 2.268 20 30 BEEDLO CCCCCCC[C@@H](C)C(=O)NC1C[NH+](C)C1 ZINC001181122717 979008376 /nfs/dbraw/zinc/00/83/76/979008376.db2.gz WZGABAUKCMIVQY-GFCCVEGCSA-N 1 2 240.391 2.413 20 30 BEEDLO Cc1ccc(Nc2c(C#N)cnn2C)c(C)[nH+]1 ZINC001203368330 979326653 /nfs/dbraw/zinc/32/66/53/979326653.db2.gz ZHVXTYJVWWGKOQ-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO C=CCCCN(CC)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001342692643 979869086 /nfs/dbraw/zinc/86/90/86/979869086.db2.gz PDNZDBHLWQNTQI-LBPRGKRZSA-N 1 2 235.331 2.259 20 30 BEEDLO Cc1cnc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C)c1 ZINC001238435377 980263234 /nfs/dbraw/zinc/26/32/34/980263234.db2.gz MJXMALVWIQQBKM-AWEZNQCLSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cnc(C[N@H+]2CC[C@@](C)(C#N)C2)c(C)c1 ZINC001238435377 980263239 /nfs/dbraw/zinc/26/32/39/980263239.db2.gz MJXMALVWIQQBKM-AWEZNQCLSA-N 1 2 229.327 2.434 20 30 BEEDLO CSc1ncc(C)cc1C[NH+]1CC(CC#N)C1 ZINC001238715170 980314533 /nfs/dbraw/zinc/31/45/33/980314533.db2.gz VTLCTARNMISXKH-UHFFFAOYSA-N 1 2 247.367 2.457 20 30 BEEDLO CC1(C)CC(=O)C=C(CC[NH+]2CCOCC2)C1 ZINC001250277283 980650226 /nfs/dbraw/zinc/65/02/26/980650226.db2.gz BCXAMUOGBYFNLH-UHFFFAOYSA-N 1 2 237.343 2.024 20 30 BEEDLO C[C@H](CC(=O)O[C@H](CC#N)C1CC1)n1cc[nH+]c1 ZINC001346708131 980889044 /nfs/dbraw/zinc/88/90/44/980889044.db2.gz YTUALYZCZMGZRC-ZYHUDNBSSA-N 1 2 247.298 2.070 20 30 BEEDLO C=C(CC)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001347064810 980959885 /nfs/dbraw/zinc/95/98/85/980959885.db2.gz FXLWTXUSJIKEBU-UHFFFAOYSA-N 1 2 233.315 2.361 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc(C#N)c(F)c1 ZINC001240150266 981150015 /nfs/dbraw/zinc/15/00/15/981150015.db2.gz VAFXHSCZMPDVNQ-UHFFFAOYSA-N 1 2 201.204 2.098 20 30 BEEDLO N#Cc1cnc(-c2ccc3[nH+]ccn3c2)c(C#N)c1 ZINC001240213534 981162473 /nfs/dbraw/zinc/16/24/73/981162473.db2.gz DGHOMHXHSGSLAE-UHFFFAOYSA-N 1 2 245.245 2.140 20 30 BEEDLO N#Cc1c(F)ccnc1-c1ccc2[nH+]ccn2c1 ZINC001240214677 981163109 /nfs/dbraw/zinc/16/31/09/981163109.db2.gz PNQUUDDYJPXLBR-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO N#Cc1c(F)cncc1-c1ccc2[nH+]ccn2c1 ZINC001240218105 981165414 /nfs/dbraw/zinc/16/54/14/981165414.db2.gz ATISOXDJRAOCAC-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO N#Cc1ncc(F)cc1-c1ccc2[nH+]ccn2c1 ZINC001240217600 981167579 /nfs/dbraw/zinc/16/75/79/981167579.db2.gz JMCKDUISBSGENO-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO N#Cc1cc(-c2ccc3[nH+]ccn3c2)cnc1F ZINC001240218542 981169820 /nfs/dbraw/zinc/16/98/20/981169820.db2.gz QSGDNCDAYBOCAR-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO N#Cc1cc(F)cnc1-c1ccn2cc[nH+]c2c1 ZINC001240495963 981416286 /nfs/dbraw/zinc/41/62/86/981416286.db2.gz BSXBHVRGFZTDTI-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccc(Cl)cn2)CC1 ZINC001350319998 981924332 /nfs/dbraw/zinc/92/43/32/981924332.db2.gz SBJJUFBWSAESBP-UHFFFAOYSA-N 1 2 221.691 2.128 20 30 BEEDLO C=CCCCN(CC)C(=O)CCc1[nH+]ccn1C ZINC001350803842 982091354 /nfs/dbraw/zinc/09/13/54/982091354.db2.gz LRPZCOSZMOBBAJ-UHFFFAOYSA-N 1 2 249.358 2.167 20 30 BEEDLO C=C(CC)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001351099860 982202296 /nfs/dbraw/zinc/20/22/96/982202296.db2.gz CCAQGSZUIRSTCJ-UHFFFAOYSA-N 1 2 233.315 2.082 20 30 BEEDLO N#CCOc1cc(F)ccc1-c1cc[nH+]c(N)c1 ZINC001241162268 982301263 /nfs/dbraw/zinc/30/12/63/982301263.db2.gz HCIXMLPISBBKCC-UHFFFAOYSA-N 1 2 243.241 2.372 20 30 BEEDLO N#Cc1ncnc2ccc(-c3cc[nH+]c(N)c3)cc12 ZINC001241171236 982324951 /nfs/dbraw/zinc/32/49/51/982324951.db2.gz ZVOUJZPNSUGLBZ-UHFFFAOYSA-N 1 2 247.261 2.146 20 30 BEEDLO Cc1cc(N(C)C)[nH+]cc1-c1ccncc1C#N ZINC001241243082 982386310 /nfs/dbraw/zinc/38/63/10/982386310.db2.gz OIRGNHNFVOXMQM-UHFFFAOYSA-N 1 2 238.294 2.390 20 30 BEEDLO N#Cc1ccc(Cl)nc1Nc1ccc(N)[nH+]c1 ZINC001201276016 983175089 /nfs/dbraw/zinc/17/50/89/983175089.db2.gz OHXCBQUBGUTNCE-UHFFFAOYSA-N 1 2 245.673 2.327 20 30 BEEDLO C=C/C(=[NH+]\COC)c1cncc(N2CCCC2)c1 ZINC001242619401 984005817 /nfs/dbraw/zinc/00/58/17/984005817.db2.gz VHSLZFUABCCYAU-JQIJEIRASA-N 1 2 245.326 2.261 20 30 BEEDLO C#CC[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000882515295 984027588 /nfs/dbraw/zinc/02/75/88/984027588.db2.gz UTXHPIHGUVLCFG-NSHDSACASA-N 1 2 218.275 2.460 20 30 BEEDLO C=CCC1(O)CCN(c2cc[nH+]cc2F)CC1 ZINC000717398895 984189826 /nfs/dbraw/zinc/18/98/26/984189826.db2.gz PYWBIGZPJKJQRH-UHFFFAOYSA-N 1 2 236.290 2.128 20 30 BEEDLO N#CC1CC[NH+](Cc2cnccc2Cl)CC1 ZINC001137230225 984195365 /nfs/dbraw/zinc/19/53/65/984195365.db2.gz MRRJRBYYGAZITN-UHFFFAOYSA-N 1 2 235.718 2.471 20 30 BEEDLO C#Cc1cc(Nc2cnc(F)cc2C)cc[nH+]1 ZINC001212812898 984225027 /nfs/dbraw/zinc/22/50/27/984225027.db2.gz UKHNTUCQAXMOHF-UHFFFAOYSA-N 1 2 227.242 2.071 20 30 BEEDLO C=C[C@@H](CO)Nc1ccc(C(C)(C)C)c[nH+]1 ZINC000717539426 984329057 /nfs/dbraw/zinc/32/90/57/984329057.db2.gz OBCNHTJKVMFHIX-NSHDSACASA-N 1 2 220.316 2.338 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc(OCCC#N)cc1 ZINC001243069951 984494174 /nfs/dbraw/zinc/49/41/74/984494174.db2.gz CDCVLOYYCWYJPY-UHFFFAOYSA-N 1 2 227.267 2.380 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc(F)cc1CC#N ZINC001243071279 984497136 /nfs/dbraw/zinc/49/71/36/984497136.db2.gz PSIGNJPVLYNLFE-UHFFFAOYSA-N 1 2 215.231 2.292 20 30 BEEDLO N#Cc1ncnc2ccc(-c3ccc[nH+]c3N)cc12 ZINC001243475196 985030542 /nfs/dbraw/zinc/03/05/42/985030542.db2.gz FREINLNUDWLXCP-UHFFFAOYSA-N 1 2 247.261 2.146 20 30 BEEDLO N#CCOc1ccccc1-c1ccc[nH+]c1N ZINC001243475947 985032172 /nfs/dbraw/zinc/03/21/72/985032172.db2.gz MWYBMYNFWRXWFK-UHFFFAOYSA-N 1 2 225.251 2.233 20 30 BEEDLO N#CCOc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243591188 985147584 /nfs/dbraw/zinc/14/75/84/985147584.db2.gz WUFDBESCNYXHLD-UHFFFAOYSA-N 1 2 225.251 2.233 20 30 BEEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H](C)CC1CC1)C(=O)OCC ZINC001258453641 985897573 /nfs/dbraw/zinc/89/75/73/985897573.db2.gz BYXSXPBXYVPGKF-QKCSRTOESA-N 1 2 237.343 2.272 20 30 BEEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H](C)CC1CC1)C(=O)OCC ZINC001258453653 985898564 /nfs/dbraw/zinc/89/85/64/985898564.db2.gz BYXSXPBXYVPGKF-SUHUHFCYSA-N 1 2 237.343 2.272 20 30 BEEDLO C#Cc1cccc(C[NH2+]Cc2ncc(C)o2)c1 ZINC001461579660 986087781 /nfs/dbraw/zinc/08/77/81/986087781.db2.gz IHFRWDBVCUHEMZ-UHFFFAOYSA-N 1 2 226.279 2.254 20 30 BEEDLO CNc1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC001461967394 986250698 /nfs/dbraw/zinc/25/06/98/986250698.db2.gz ODXVNQDRLJRHGK-LLVKDONJSA-N 1 2 217.316 2.320 20 30 BEEDLO CNc1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC001461967394 986250710 /nfs/dbraw/zinc/25/07/10/986250710.db2.gz ODXVNQDRLJRHGK-LLVKDONJSA-N 1 2 217.316 2.320 20 30 BEEDLO CNc1cc(-c2ccnc(CC#N)c2)cc[nH+]1 ZINC001244976191 986559866 /nfs/dbraw/zinc/55/98/66/986559866.db2.gz NZGBQWWDTZTNQT-UHFFFAOYSA-N 1 2 224.267 2.251 20 30 BEEDLO Cc1cc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)[nH]1 ZINC001137332385 986797527 /nfs/dbraw/zinc/79/75/27/986797527.db2.gz SBPJTRBUNMSYGW-CYBMUJFWSA-N 1 2 217.316 2.367 20 30 BEEDLO Cc1cc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)[nH]1 ZINC001137332385 986797547 /nfs/dbraw/zinc/79/75/47/986797547.db2.gz SBPJTRBUNMSYGW-CYBMUJFWSA-N 1 2 217.316 2.367 20 30 BEEDLO N#Cc1ccc(-c2nc3[nH]ccc3c[nH+]2)cc1 ZINC001245494148 986871658 /nfs/dbraw/zinc/87/16/58/986871658.db2.gz JCQICUQWHMKZEX-UHFFFAOYSA-N 1 2 220.235 2.448 20 30 BEEDLO CNc1ccc(Nc2cc(C)c(C#N)cn2)c[nH+]1 ZINC001472733190 987275455 /nfs/dbraw/zinc/27/54/55/987275455.db2.gz TXNQFLOWTNSYIZ-UHFFFAOYSA-N 1 2 239.282 2.442 20 30 BEEDLO C=C(Br)C[NH+]1CCC(F)CC1 ZINC000689898420 987276301 /nfs/dbraw/zinc/27/63/01/987276301.db2.gz YMZOKPDGVOINLT-UHFFFAOYSA-N 1 2 222.101 2.329 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CCc1ccccc1CC ZINC001473540034 987475708 /nfs/dbraw/zinc/47/57/08/987475708.db2.gz UIWKNLRHWQPJQN-INIZCTEOSA-N 1 2 243.350 2.126 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CCc1ccccc1CC ZINC001473540034 987475715 /nfs/dbraw/zinc/47/57/15/987475715.db2.gz UIWKNLRHWQPJQN-INIZCTEOSA-N 1 2 243.350 2.126 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CCc1ccccc1CC ZINC001473540035 987479089 /nfs/dbraw/zinc/47/90/89/987479089.db2.gz UIWKNLRHWQPJQN-MRXNPFEDSA-N 1 2 243.350 2.126 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CCc1ccccc1CC ZINC001473540035 987479093 /nfs/dbraw/zinc/47/90/93/987479093.db2.gz UIWKNLRHWQPJQN-MRXNPFEDSA-N 1 2 243.350 2.126 20 30 BEEDLO C#CC[N@@H+](C)Cc1cnc(-c2ccco2)s1 ZINC001474733735 987810678 /nfs/dbraw/zinc/81/06/78/987810678.db2.gz PHBJWLADIQRAND-UHFFFAOYSA-N 1 2 232.308 2.468 20 30 BEEDLO C#CC[N@H+](C)Cc1cnc(-c2ccco2)s1 ZINC001474733735 987810682 /nfs/dbraw/zinc/81/06/82/987810682.db2.gz PHBJWLADIQRAND-UHFFFAOYSA-N 1 2 232.308 2.468 20 30 BEEDLO CCCCCC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001246591476 988163802 /nfs/dbraw/zinc/16/38/02/988163802.db2.gz ITRPKJVUZHQRHY-QWHCGFSZSA-N 1 2 223.364 2.143 20 30 BEEDLO CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246837954 988543026 /nfs/dbraw/zinc/54/30/26/988543026.db2.gz RWNXQVHTVPZHAO-HZSPNIEDSA-N 1 2 237.391 2.245 20 30 BEEDLO CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246837954 988543041 /nfs/dbraw/zinc/54/30/41/988543041.db2.gz RWNXQVHTVPZHAO-HZSPNIEDSA-N 1 2 237.391 2.245 20 30 BEEDLO C=C(C)CCC(=O)N(C)C1C[NH+](CC(=C)C)C1 ZINC001499673583 988556491 /nfs/dbraw/zinc/55/64/91/988556491.db2.gz ITQGKHWULGMPIS-UHFFFAOYSA-N 1 2 236.359 2.061 20 30 BEEDLO C=CCCNC(=S)Nc1ccn2cc[nH+]c2c1 ZINC001247601349 988943835 /nfs/dbraw/zinc/94/38/35/988943835.db2.gz HZDTXQVTZNIMCB-UHFFFAOYSA-N 1 2 246.339 2.197 20 30 BEEDLO C=CCCCNC(=S)Nc1cc[nH+]cc1C ZINC001247690955 988988338 /nfs/dbraw/zinc/98/83/38/988988338.db2.gz RXDGAALKPSUFMG-UHFFFAOYSA-N 1 2 235.356 2.065 20 30 BEEDLO C=CC(C)(C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001519584657 989434621 /nfs/dbraw/zinc/43/46/21/989434621.db2.gz VSFVROYSTHGKII-UHFFFAOYSA-N 1 2 236.315 2.374 20 30 BEEDLO C=C(CC)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001521518889 989722930 /nfs/dbraw/zinc/72/29/30/989722930.db2.gz NJKXBJNZUFHAHV-GFCCVEGCSA-N 1 2 247.342 2.092 20 30 BEEDLO C=C(CC(C)C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC001521736621 989792826 /nfs/dbraw/zinc/79/28/26/989792826.db2.gz CWBJGIOPHVQHPQ-NSHDSACASA-N 1 2 233.315 2.046 20 30 BEEDLO C=CCC[C@H]1CCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001120732893 989854579 /nfs/dbraw/zinc/85/45/79/989854579.db2.gz AKHAHWOTFKUYBB-OLZOCXBDSA-N 1 2 247.342 2.401 20 30 BEEDLO C=CCCCC(=O)OCc1c[nH+]cn1CC ZINC001527011378 990199561 /nfs/dbraw/zinc/19/95/61/990199561.db2.gz BZCXPYRMYHCGQO-UHFFFAOYSA-N 1 2 222.288 2.303 20 30 BEEDLO C=C(CC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001123808726 990674456 /nfs/dbraw/zinc/67/44/56/990674456.db2.gz KORTWIFYINMWDB-UHFFFAOYSA-N 1 2 218.300 2.281 20 30 BEEDLO N#Cc1ccc(C[NH2+]Cc2c[nH]cn2)cc1Cl ZINC001308384826 990977452 /nfs/dbraw/zinc/97/74/52/990977452.db2.gz XZZPMEXHYCJFKL-UHFFFAOYSA-N 1 2 246.701 2.225 20 30 BEEDLO C=C(C)COc1ccccc1C[NH+]1CCOCC1 ZINC001138663344 990997688 /nfs/dbraw/zinc/99/76/88/990997688.db2.gz SYIQQHVZBIFQAI-UHFFFAOYSA-N 1 2 247.338 2.474 20 30 BEEDLO CCOC(=O)CCC[C@@H](C)[NH2+][C@@](C)(C#N)CC ZINC001258106519 991016079 /nfs/dbraw/zinc/01/60/79/991016079.db2.gz DIAYDIYGIHPKIT-DGCLKSJQSA-N 1 2 240.347 2.390 20 30 BEEDLO CCC(=O)Oc1ccc(C[N@H+](C)CCC#N)cc1 ZINC001138963192 991114099 /nfs/dbraw/zinc/11/40/99/991114099.db2.gz XQQNSNGKFCHXJS-UHFFFAOYSA-N 1 2 246.310 2.347 20 30 BEEDLO CCC(=O)Oc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC001138963192 991114103 /nfs/dbraw/zinc/11/41/03/991114103.db2.gz XQQNSNGKFCHXJS-UHFFFAOYSA-N 1 2 246.310 2.347 20 30 BEEDLO C#C[C@@H](CC)[NH2+]Cc1c(Cl)ccnc1F ZINC001308751177 991120255 /nfs/dbraw/zinc/12/02/55/991120255.db2.gz PZVPSXZLPWLMJL-QMMMGPOBSA-N 1 2 226.682 2.376 20 30 BEEDLO COC(=O)[C@H](CS)[NH2+][C@H]1CCCC(C)(C)C1 ZINC001258274658 991199459 /nfs/dbraw/zinc/19/94/59/991199459.db2.gz RVSONELJUYRCII-UWVGGRQHSA-N 1 2 245.388 2.016 20 30 BEEDLO C=CC[N@@H+](C)Cc1cc(Cl)cnc1OC ZINC001139749454 991353330 /nfs/dbraw/zinc/35/33/30/991353330.db2.gz AJMIKGCJLFPVHB-UHFFFAOYSA-N 1 2 226.707 2.361 20 30 BEEDLO C=CC[N@H+](C)Cc1cc(Cl)cnc1OC ZINC001139749454 991353338 /nfs/dbraw/zinc/35/33/38/991353338.db2.gz AJMIKGCJLFPVHB-UHFFFAOYSA-N 1 2 226.707 2.361 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258593515 991489103 /nfs/dbraw/zinc/48/91/03/991489103.db2.gz VVSKEGUPLFWSRB-ZJUUUORDSA-N 1 2 245.388 2.016 20 30 BEEDLO C=CCC[C@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001258725504 991662616 /nfs/dbraw/zinc/66/26/16/991662616.db2.gz LXKQEBOVSPRISD-UWVGGRQHSA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCC[C@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001258725504 991662619 /nfs/dbraw/zinc/66/26/19/991662619.db2.gz LXKQEBOVSPRISD-UWVGGRQHSA-N 1 2 219.275 2.043 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)cn1 ZINC001140541127 991667491 /nfs/dbraw/zinc/66/74/91/991667491.db2.gz YFHCHEOMLCRSNN-UHFFFAOYSA-N 1 2 249.264 2.184 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(OC)c(O)cc1Cl ZINC001561032932 991694675 /nfs/dbraw/zinc/69/46/75/991694675.db2.gz WXLNSJWTUNIAEK-UHFFFAOYSA-N 1 2 239.702 2.119 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(OC)c(O)cc1Cl ZINC001561032932 991694682 /nfs/dbraw/zinc/69/46/82/991694682.db2.gz WXLNSJWTUNIAEK-UHFFFAOYSA-N 1 2 239.702 2.119 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001258808656 991814151 /nfs/dbraw/zinc/81/41/51/991814151.db2.gz PITBKVUQBJIUIJ-VWYCJHECSA-N 1 2 245.388 2.016 20 30 BEEDLO C[C@@H]1CCC[C@@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001258812795 991820674 /nfs/dbraw/zinc/82/06/74/991820674.db2.gz IEVBXKPOMHXVTL-VXGBXAGGSA-N 1 2 222.332 2.227 20 30 BEEDLO C[C@H]1CCC[C@@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001258812788 991821720 /nfs/dbraw/zinc/82/17/20/991821720.db2.gz IEVBXKPOMHXVTL-NWDGAFQWSA-N 1 2 222.332 2.227 20 30 BEEDLO C[C@@H]1CCC[C@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001258812787 991822482 /nfs/dbraw/zinc/82/24/82/991822482.db2.gz IEVBXKPOMHXVTL-NEPJUHHUSA-N 1 2 222.332 2.227 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@H](C)CC ZINC001568474322 992174341 /nfs/dbraw/zinc/17/43/41/992174341.db2.gz CYVOFURZCLEEGX-SNVBAGLBSA-N 1 2 246.782 2.175 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@H](C)CC ZINC001568474322 992174346 /nfs/dbraw/zinc/17/43/46/992174346.db2.gz CYVOFURZCLEEGX-SNVBAGLBSA-N 1 2 246.782 2.175 20 30 BEEDLO C=C[C@@H](COC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC001320426512 992198817 /nfs/dbraw/zinc/19/88/17/992198817.db2.gz MVRANILWSKBMLI-NSHDSACASA-N 1 2 233.315 2.275 20 30 BEEDLO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncn[nH]1 ZINC001261640944 992434346 /nfs/dbraw/zinc/43/43/46/992434346.db2.gz RITIAUFRFNPOSS-GHMZBOCLSA-N 1 2 220.320 2.029 20 30 BEEDLO C=C1CC(C)(c2noc([C@H](C)n3cc[nH+]c3)n2)C1 ZINC001262115916 992687782 /nfs/dbraw/zinc/68/77/82/992687782.db2.gz QNELCXMEQZRZTR-JTQLQIEISA-N 1 2 244.298 2.483 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(C2CC2)no1 ZINC001262335415 992839997 /nfs/dbraw/zinc/83/99/97/992839997.db2.gz AWLQCVZKDPBVSI-JTQLQIEISA-N 1 2 219.288 2.097 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(C2CC2)no1 ZINC001262335415 992840000 /nfs/dbraw/zinc/84/00/00/992840000.db2.gz AWLQCVZKDPBVSI-JTQLQIEISA-N 1 2 219.288 2.097 20 30 BEEDLO C=CCO[C@H]1CCN(c2ccc(CC)c[nH+]2)C1 ZINC001262691255 993033646 /nfs/dbraw/zinc/03/36/46/993033646.db2.gz ZCDLNBKLBOWHPI-ZDUSSCGKSA-N 1 2 232.327 2.425 20 30 BEEDLO C=CC(C)(C)C(=O)OCc1c[nH+]cn1CC ZINC001263662726 993455047 /nfs/dbraw/zinc/45/50/47/993455047.db2.gz JYJFKLBNVWKAMB-UHFFFAOYSA-N 1 2 222.288 2.158 20 30 BEEDLO Cc1cccnc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC001308152607 995577551 /nfs/dbraw/zinc/57/75/51/995577551.db2.gz FXKXLDBZZAMMEU-NSHDSACASA-N 1 2 215.300 2.344 20 30 BEEDLO N#Cc1ccc(F)cc1NCc1ccc(N)[nH+]c1 ZINC001612265662 1170453739 /nfs/dbraw/zinc/45/37/39/1170453739.db2.gz LEUKIYBJFBBYNB-UHFFFAOYSA-N 1 2 242.257 2.287 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cc(F)c(F)cc1O ZINC001621175148 1170729300 /nfs/dbraw/zinc/72/93/00/1170729300.db2.gz RJTZBLOLGOFSMP-UHFFFAOYSA-N 1 2 249.260 2.129 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cc(F)c(F)cc1O ZINC001621175148 1170729308 /nfs/dbraw/zinc/72/93/08/1170729308.db2.gz RJTZBLOLGOFSMP-UHFFFAOYSA-N 1 2 249.260 2.129 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)c(OC)c1 ZINC000064931415 136210714 /nfs/dbraw/zinc/21/07/14/136210714.db2.gz GZVBPUNLHPDXKE-LLVKDONJSA-N 1 2 248.326 2.438 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)c(OC)c1 ZINC000064931415 136210715 /nfs/dbraw/zinc/21/07/15/136210715.db2.gz GZVBPUNLHPDXKE-LLVKDONJSA-N 1 2 248.326 2.438 20 30 BEEDLO C=C1CC[NH+]([C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000382474760 398171839 /nfs/dbraw/zinc/17/18/39/398171839.db2.gz GTQTXGVZSBBZAW-NSHDSACASA-N 1 2 225.332 2.369 20 30 BEEDLO C=CCCCC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649885296 398163224 /nfs/dbraw/zinc/16/32/24/398163224.db2.gz NGMRILWTCFJXTE-CQSZACIVSA-N 1 2 249.358 2.150 20 30 BEEDLO C=CCCCC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649885296 398163227 /nfs/dbraw/zinc/16/32/27/398163227.db2.gz NGMRILWTCFJXTE-CQSZACIVSA-N 1 2 249.358 2.150 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000339755441 398164452 /nfs/dbraw/zinc/16/44/52/398164452.db2.gz HOFCJOWKOUXBBL-UHFFFAOYSA-N 1 2 239.322 2.327 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000339755441 398164455 /nfs/dbraw/zinc/16/44/55/398164455.db2.gz HOFCJOWKOUXBBL-UHFFFAOYSA-N 1 2 239.322 2.327 20 30 BEEDLO COc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1C#N ZINC000335406855 398202313 /nfs/dbraw/zinc/20/23/13/398202313.db2.gz FGVFGYDMCLTRMO-LBPRGKRZSA-N 1 2 234.274 2.111 20 30 BEEDLO COc1ccc(C[N@H+]2CC[C@H](F)C2)cc1C#N ZINC000335406855 398202315 /nfs/dbraw/zinc/20/23/15/398202315.db2.gz FGVFGYDMCLTRMO-LBPRGKRZSA-N 1 2 234.274 2.111 20 30 BEEDLO C#CC[NH+](C/C=C/Cl)C/C=C/Cl ZINC000119374350 136220706 /nfs/dbraw/zinc/22/07/06/136220706.db2.gz COBWVSJVKUAKDX-GGWOSOGESA-N 1 2 204.100 2.427 20 30 BEEDLO C=CCNC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119231284 136221921 /nfs/dbraw/zinc/22/19/21/136221921.db2.gz WCRZJGDNIFFIBY-LLVKDONJSA-N 1 2 248.326 2.107 20 30 BEEDLO C=CCNC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119231284 136221922 /nfs/dbraw/zinc/22/19/22/136221922.db2.gz WCRZJGDNIFFIBY-LLVKDONJSA-N 1 2 248.326 2.107 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)[C@H](C)CO1 ZINC000191895028 361776143 /nfs/dbraw/zinc/77/61/43/361776143.db2.gz FYSLTVODPQTEDB-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H](C)CO1 ZINC000191895028 361776149 /nfs/dbraw/zinc/77/61/49/361776149.db2.gz FYSLTVODPQTEDB-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2nccnc2c1 ZINC000602446671 349547269 /nfs/dbraw/zinc/54/72/69/349547269.db2.gz HGWZYHQWLLVRIU-LLVKDONJSA-N 1 2 240.310 2.221 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000602446671 349547271 /nfs/dbraw/zinc/54/72/71/349547271.db2.gz HGWZYHQWLLVRIU-LLVKDONJSA-N 1 2 240.310 2.221 20 30 BEEDLO CCN(C[C@H](C)C#N)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602449342 349551085 /nfs/dbraw/zinc/55/10/85/349551085.db2.gz ZFBJCYRAGDRWLW-DGCLKSJQSA-N 1 2 246.358 2.353 20 30 BEEDLO CC[N@H+](CC#N)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602449422 349551213 /nfs/dbraw/zinc/55/12/13/349551213.db2.gz LJVZYSRPFKJHKK-AWEZNQCLSA-N 1 2 243.354 2.358 20 30 BEEDLO CC[N@@H+](CC#N)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602449422 349551214 /nfs/dbraw/zinc/55/12/14/349551214.db2.gz LJVZYSRPFKJHKK-AWEZNQCLSA-N 1 2 243.354 2.358 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(F)c1N ZINC000602463928 349557656 /nfs/dbraw/zinc/55/76/56/349557656.db2.gz WWXZPPJWACOPNP-VIFPVBQESA-N 1 2 221.279 2.142 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(F)c1N ZINC000602463928 349557662 /nfs/dbraw/zinc/55/76/62/349557662.db2.gz WWXZPPJWACOPNP-VIFPVBQESA-N 1 2 221.279 2.142 20 30 BEEDLO C[C@H]1CC(=O)C=C(c2ccc[nH+]c2N)C1 ZINC000306648699 361839213 /nfs/dbraw/zinc/83/92/13/361839213.db2.gz DZBZMPWCKAPZEP-MRVPVSSYSA-N 1 2 202.257 2.046 20 30 BEEDLO C[C@@H](CCC#N)C[N@@H+]1CCC(F)(F)C1 ZINC000602580056 349608649 /nfs/dbraw/zinc/60/86/49/349608649.db2.gz CTSZWBXIEYLPCR-VIFPVBQESA-N 1 2 202.248 2.267 20 30 BEEDLO C[C@@H](CCC#N)C[N@H+]1CCC(F)(F)C1 ZINC000602580056 349608651 /nfs/dbraw/zinc/60/86/51/349608651.db2.gz CTSZWBXIEYLPCR-VIFPVBQESA-N 1 2 202.248 2.267 20 30 BEEDLO Cc1[nH]ncc1C[NH+]1CCC(CCC#N)CC1 ZINC000259880238 349609249 /nfs/dbraw/zinc/60/92/49/349609249.db2.gz DDUIVDAEIWSUHP-UHFFFAOYSA-N 1 2 232.331 2.234 20 30 BEEDLO Cc1ncc(C[N@H+](CCC#N)CC2CC2)o1 ZINC000600116891 342671362 /nfs/dbraw/zinc/67/13/62/342671362.db2.gz GKPYFFKHTKIBLA-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1ncc(C[N@@H+](CCC#N)CC2CC2)o1 ZINC000600116891 342671364 /nfs/dbraw/zinc/67/13/64/342671364.db2.gz GKPYFFKHTKIBLA-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1[nH]c(CN2CCC[C@](C)(C#N)C2)[nH+]c1C ZINC000600144857 342689724 /nfs/dbraw/zinc/68/97/24/342689724.db2.gz OXENQHGZELORLQ-CYBMUJFWSA-N 1 2 232.331 2.152 20 30 BEEDLO Cc1[nH]c(CN2CCC(CC#N)CC2)[nH+]c1C ZINC000600148377 342691012 /nfs/dbraw/zinc/69/10/12/342691012.db2.gz TUCLJDXDZMSFQO-UHFFFAOYSA-N 1 2 232.331 2.152 20 30 BEEDLO C=CC[C@H]1CC[C@]2(C1)NC(=O)C[N@H+]2CCCC ZINC000649490040 398287176 /nfs/dbraw/zinc/28/71/76/398287176.db2.gz QDOQWGGMFBHEJP-JSGCOSHPSA-N 1 2 236.359 2.291 20 30 BEEDLO C=CC[C@H]1CC[C@]2(C1)NC(=O)C[N@@H+]2CCCC ZINC000649490040 398287178 /nfs/dbraw/zinc/28/71/78/398287178.db2.gz QDOQWGGMFBHEJP-JSGCOSHPSA-N 1 2 236.359 2.291 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CC2CCC1CC2)C(=O)OC ZINC000400053080 398287475 /nfs/dbraw/zinc/28/74/75/398287475.db2.gz KOEPYFAERSCWBI-TYUFSLCMSA-N 1 2 237.343 2.130 20 30 BEEDLO CC#CCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000381226731 538996572 /nfs/dbraw/zinc/99/65/72/538996572.db2.gz JZDUMBVDVWGSPM-UHFFFAOYSA-N 1 2 217.316 2.021 20 30 BEEDLO COc1cccc(C)c1C[NH2+]C[C@H](C)C#N ZINC000602607980 349630869 /nfs/dbraw/zinc/63/08/69/349630869.db2.gz OBOBYTOSEMWYFK-SNVBAGLBSA-N 1 2 218.300 2.253 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000602613239 349636299 /nfs/dbraw/zinc/63/62/99/349636299.db2.gz UWDDYWLVWBZEAO-NEPJUHHUSA-N 1 2 232.331 2.153 20 30 BEEDLO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)C#N)C1CC1 ZINC000602615633 349638248 /nfs/dbraw/zinc/63/82/48/349638248.db2.gz QNADBZRYPOHYJQ-NSHDSACASA-N 1 2 232.331 2.011 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cccc(F)c1C#N ZINC000580306776 346882982 /nfs/dbraw/zinc/88/29/82/346882982.db2.gz BWMWJPUBUJVPJX-LLVKDONJSA-N 1 2 231.274 2.479 20 30 BEEDLO N#CC1(C[NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000602642394 349654422 /nfs/dbraw/zinc/65/44/22/349654422.db2.gz LNEOLMWEIFKQSD-UHFFFAOYSA-N 1 2 245.257 2.360 20 30 BEEDLO C[N@H+](Cc1cccc(F)c1N)CC(C)(C)C#N ZINC000602675045 349668463 /nfs/dbraw/zinc/66/84/63/349668463.db2.gz JCRXPWVBTHZCCJ-UHFFFAOYSA-N 1 2 235.306 2.389 20 30 BEEDLO C[N@@H+](Cc1cccc(F)c1N)CC(C)(C)C#N ZINC000602675045 349668464 /nfs/dbraw/zinc/66/84/64/349668464.db2.gz JCRXPWVBTHZCCJ-UHFFFAOYSA-N 1 2 235.306 2.389 20 30 BEEDLO CC(C)C1(C[N@@H+]2CC[C@@](F)(C#N)C2)CC1 ZINC000602628603 349665035 /nfs/dbraw/zinc/66/50/35/349665035.db2.gz HRHHDPMYSSBTGM-GFCCVEGCSA-N 1 2 210.296 2.360 20 30 BEEDLO CC(C)C1(C[N@H+]2CC[C@@](F)(C#N)C2)CC1 ZINC000602628603 349665037 /nfs/dbraw/zinc/66/50/37/349665037.db2.gz HRHHDPMYSSBTGM-GFCCVEGCSA-N 1 2 210.296 2.360 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H](OC)[C@H](C)CC ZINC000602670525 349665828 /nfs/dbraw/zinc/66/58/28/349665828.db2.gz FOAFSANVIKDMIH-CHWSQXEVSA-N 1 2 224.348 2.449 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H](OC)[C@H](C)CC ZINC000602670525 349665830 /nfs/dbraw/zinc/66/58/30/349665830.db2.gz FOAFSANVIKDMIH-CHWSQXEVSA-N 1 2 224.348 2.449 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H](OC)[C@@H](C)CC ZINC000602670529 349665945 /nfs/dbraw/zinc/66/59/45/349665945.db2.gz FOAFSANVIKDMIH-STQMWFEESA-N 1 2 224.348 2.449 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H](OC)[C@@H](C)CC ZINC000602670529 349665946 /nfs/dbraw/zinc/66/59/46/349665946.db2.gz FOAFSANVIKDMIH-STQMWFEESA-N 1 2 224.348 2.449 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000176257491 346907469 /nfs/dbraw/zinc/90/74/69/346907469.db2.gz CHRVHEFOOIATFV-UHFFFAOYSA-N 1 2 246.358 2.163 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000176257491 346907471 /nfs/dbraw/zinc/90/74/71/346907471.db2.gz CHRVHEFOOIATFV-UHFFFAOYSA-N 1 2 246.358 2.163 20 30 BEEDLO CN(C)c1c[nH+]cc(N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000602723945 349714321 /nfs/dbraw/zinc/71/43/21/349714321.db2.gz JWCUDRNMYUIRAV-GHMZBOCLSA-N 1 2 230.315 2.252 20 30 BEEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1cccc(F)c1 ZINC000602861762 349773726 /nfs/dbraw/zinc/77/37/26/349773726.db2.gz ISEZXIZEXZCDLN-NXEZZACHSA-N 1 2 249.289 2.044 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CC(C)(C)CO1 ZINC000602839617 349778686 /nfs/dbraw/zinc/77/86/86/349778686.db2.gz VWDIKIWCZHDBDD-LBPRGKRZSA-N 1 2 222.332 2.203 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H]1CC(C)(C)CO1 ZINC000602839617 349778687 /nfs/dbraw/zinc/77/86/87/349778687.db2.gz VWDIKIWCZHDBDD-LBPRGKRZSA-N 1 2 222.332 2.203 20 30 BEEDLO Cc1cccc2[nH+]cc(CN(C)[C@@H](C)CC#N)n21 ZINC000353419224 136265474 /nfs/dbraw/zinc/26/54/74/136265474.db2.gz BIGSZQDJQHYJBG-NSHDSACASA-N 1 2 242.326 2.377 20 30 BEEDLO C=C[C@@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000301600424 136264918 /nfs/dbraw/zinc/26/49/18/136264918.db2.gz ILVGZPIDWCIIKW-LLVKDONJSA-N 1 2 232.331 2.453 20 30 BEEDLO C=C[C@@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000301600424 136264919 /nfs/dbraw/zinc/26/49/19/136264919.db2.gz ILVGZPIDWCIIKW-LLVKDONJSA-N 1 2 232.331 2.453 20 30 BEEDLO Cc1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)c1 ZINC000602864458 349796222 /nfs/dbraw/zinc/79/62/22/349796222.db2.gz RJTCZCJTWBFKIR-VXGBXAGGSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C)cc1C[NH2+][C@H](C)CC#N ZINC000309913609 343094496 /nfs/dbraw/zinc/09/44/96/343094496.db2.gz ODWGXOSBGBNYFE-LLVKDONJSA-N 1 2 218.300 2.395 20 30 BEEDLO CCOc1cccc(C[N@H+](CC)C[C@@H](C)C#N)n1 ZINC000120500715 136269306 /nfs/dbraw/zinc/26/93/06/136269306.db2.gz FARFJCJYLLRARF-LBPRGKRZSA-N 1 2 247.342 2.462 20 30 BEEDLO CCOc1cccc(C[N@@H+](CC)C[C@@H](C)C#N)n1 ZINC000120500715 136269307 /nfs/dbraw/zinc/26/93/07/136269307.db2.gz FARFJCJYLLRARF-LBPRGKRZSA-N 1 2 247.342 2.462 20 30 BEEDLO C#CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000123726299 136271062 /nfs/dbraw/zinc/27/10/62/136271062.db2.gz YSOLSMYPXVWPQR-UHFFFAOYSA-N 1 2 210.280 2.159 20 30 BEEDLO C#CC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000123726299 136271063 /nfs/dbraw/zinc/27/10/63/136271063.db2.gz YSOLSMYPXVWPQR-UHFFFAOYSA-N 1 2 210.280 2.159 20 30 BEEDLO CC(C)Oc1ccnc(C[NH2+][C@H](C)CC#N)c1 ZINC000602868507 349799971 /nfs/dbraw/zinc/79/99/71/349799971.db2.gz BXLPMVKWARVDGG-LLVKDONJSA-N 1 2 233.315 2.261 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccccc1C#N ZINC000042324848 136272654 /nfs/dbraw/zinc/27/26/54/136272654.db2.gz SBRKRKGHYDVDHM-LBPRGKRZSA-N 1 2 243.310 2.029 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccccc1C#N ZINC000042324848 136272655 /nfs/dbraw/zinc/27/26/55/136272655.db2.gz SBRKRKGHYDVDHM-LBPRGKRZSA-N 1 2 243.310 2.029 20 30 BEEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1CCC#N ZINC000266935154 136281704 /nfs/dbraw/zinc/28/17/04/136281704.db2.gz NWVNJAQNOMFSHF-CYBMUJFWSA-N 1 2 217.316 2.466 20 30 BEEDLO Cn1cccc1[C@H]1CCCC[N@H+]1CCC#N ZINC000266935154 136281705 /nfs/dbraw/zinc/28/17/05/136281705.db2.gz NWVNJAQNOMFSHF-CYBMUJFWSA-N 1 2 217.316 2.466 20 30 BEEDLO CC#CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000338828077 136279640 /nfs/dbraw/zinc/27/96/40/136279640.db2.gz LSUFGXIMPLIPHI-UHFFFAOYSA-N 1 2 229.327 2.123 20 30 BEEDLO C#CCCCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000119683522 136292066 /nfs/dbraw/zinc/29/20/66/136292066.db2.gz LEBPDQIYHJSZAT-UHFFFAOYSA-N 1 2 245.326 2.280 20 30 BEEDLO Cc1noc([C@H](C)[N@H+](C)CC2(CC#N)CC2)n1 ZINC000602872118 349804204 /nfs/dbraw/zinc/80/42/04/349804204.db2.gz CWPFESJYKMLWSL-VIFPVBQESA-N 1 2 234.303 2.065 20 30 BEEDLO Cc1noc([C@H](C)[N@@H+](C)CC2(CC#N)CC2)n1 ZINC000602872118 349804206 /nfs/dbraw/zinc/80/42/06/349804206.db2.gz CWPFESJYKMLWSL-VIFPVBQESA-N 1 2 234.303 2.065 20 30 BEEDLO CC(C)(C)Oc1cccc(C[NH2+]CCC#N)n1 ZINC000576980617 365740904 /nfs/dbraw/zinc/74/09/04/365740904.db2.gz RNHFYWUDXUWLIL-UHFFFAOYSA-N 1 2 233.315 2.262 20 30 BEEDLO CCN1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000165434379 343332273 /nfs/dbraw/zinc/33/22/73/343332273.db2.gz POZVWNCRJARIGS-UHFFFAOYSA-N 1 2 243.354 2.004 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000165423562 343311774 /nfs/dbraw/zinc/31/17/74/343311774.db2.gz VILZJGJIKOWXFQ-NSHDSACASA-N 1 2 227.311 2.458 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@H+](C)C[C@@H](C)C#N ZINC000165423562 343311775 /nfs/dbraw/zinc/31/17/75/343311775.db2.gz VILZJGJIKOWXFQ-NSHDSACASA-N 1 2 227.311 2.458 20 30 BEEDLO CC(C)C[N@@H+](CCN(C)C)Cc1ccc(C#N)o1 ZINC000348888982 136308201 /nfs/dbraw/zinc/30/82/01/136308201.db2.gz BIAZOLSIGNBTAJ-UHFFFAOYSA-N 1 2 249.358 2.171 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000335696149 136327044 /nfs/dbraw/zinc/32/70/44/136327044.db2.gz QQGXHWPYZSZXKU-GFCCVEGCSA-N 1 2 246.358 2.155 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc2n1CCCC2 ZINC000335696149 136327045 /nfs/dbraw/zinc/32/70/45/136327045.db2.gz QQGXHWPYZSZXKU-GFCCVEGCSA-N 1 2 246.358 2.155 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(F)cc1 ZINC000042207080 343431168 /nfs/dbraw/zinc/43/11/68/343431168.db2.gz SIMIXJKHGXKPRE-JTQLQIEISA-N 1 2 206.264 2.417 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000042207080 343431169 /nfs/dbraw/zinc/43/11/69/343431169.db2.gz SIMIXJKHGXKPRE-JTQLQIEISA-N 1 2 206.264 2.417 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(F)cc1 ZINC000042207078 343431410 /nfs/dbraw/zinc/43/14/10/343431410.db2.gz SIMIXJKHGXKPRE-SNVBAGLBSA-N 1 2 206.264 2.417 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000042207078 343431411 /nfs/dbraw/zinc/43/14/11/343431411.db2.gz SIMIXJKHGXKPRE-SNVBAGLBSA-N 1 2 206.264 2.417 20 30 BEEDLO Cc1cc(CNc2cc[nH+]cc2F)ccc1C#N ZINC000335849871 136355240 /nfs/dbraw/zinc/35/52/40/136355240.db2.gz XYPXTEFEYIPSNP-UHFFFAOYSA-N 1 2 241.269 2.435 20 30 BEEDLO O=C(CCc1[nH]cc[nH+]1)NC[C@H]1CCSC1 ZINC000329320528 136364972 /nfs/dbraw/zinc/36/49/72/136364972.db2.gz IYMNLGKVKASABD-SECBINFHSA-N 1 2 239.344 2.052 20 30 BEEDLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1C=CCCC1 ZINC000329549134 136366086 /nfs/dbraw/zinc/36/60/86/136366086.db2.gz OZTWSPPCUTWOKS-JTQLQIEISA-N 1 2 219.288 2.408 20 30 BEEDLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1C=CCCC1 ZINC000329549134 136366087 /nfs/dbraw/zinc/36/60/87/136366087.db2.gz OZTWSPPCUTWOKS-JTQLQIEISA-N 1 2 219.288 2.408 20 30 BEEDLO CC#CCC[N@@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000189571894 136372298 /nfs/dbraw/zinc/37/22/98/136372298.db2.gz BFKZAZSWDNOYAO-GFCCVEGCSA-N 1 2 246.358 2.192 20 30 BEEDLO CC#CCC[N@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000189571894 136372299 /nfs/dbraw/zinc/37/22/99/136372299.db2.gz BFKZAZSWDNOYAO-GFCCVEGCSA-N 1 2 246.358 2.192 20 30 BEEDLO Cc1ccc(NC(=O)c2ccc(C#N)o2)c(C)[nH+]1 ZINC000310895868 343592322 /nfs/dbraw/zinc/59/23/22/343592322.db2.gz AFKFNMZMNALQQG-UHFFFAOYSA-N 1 2 241.250 2.415 20 30 BEEDLO N#CCC[NH2+]Cc1nc(C2CC2)cs1 ZINC000570273987 323054529 /nfs/dbraw/zinc/05/45/29/323054529.db2.gz TUFHUTDCWUCSKU-UHFFFAOYSA-N 1 2 207.302 2.024 20 30 BEEDLO COc1cncc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602981735 349831585 /nfs/dbraw/zinc/83/15/85/349831585.db2.gz IWFFMBOJCNNBGE-GXTWGEPZSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cncc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602981735 349831588 /nfs/dbraw/zinc/83/15/88/349831588.db2.gz IWFFMBOJCNNBGE-GXTWGEPZSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)n1 ZINC000602977561 349841967 /nfs/dbraw/zinc/84/19/67/349841967.db2.gz CWXAZXVOZZONTJ-YPMHNXCESA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)n1 ZINC000602977561 349841972 /nfs/dbraw/zinc/84/19/72/349841972.db2.gz CWXAZXVOZZONTJ-YPMHNXCESA-N 1 2 245.326 2.214 20 30 BEEDLO C[N@H+](Cc1ccnc(C#N)c1)[C@H]1CCC[C@H]1C#N ZINC000602980474 349844736 /nfs/dbraw/zinc/84/47/36/349844736.db2.gz QKZAXQRDXHIBBW-JSGCOSHPSA-N 1 2 240.310 2.077 20 30 BEEDLO C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCC[C@H]1C#N ZINC000602980474 349844739 /nfs/dbraw/zinc/84/47/39/349844739.db2.gz QKZAXQRDXHIBBW-JSGCOSHPSA-N 1 2 240.310 2.077 20 30 BEEDLO CC(F)(F)C[NH2+]Cc1ccc(C#N)cc1 ZINC000393533199 343888503 /nfs/dbraw/zinc/88/85/03/343888503.db2.gz YTLGGCTYJXHZQR-UHFFFAOYSA-N 1 2 210.227 2.303 20 30 BEEDLO Cc1cc(N2CC3(CCC3(F)F)C2)c(C#N)c[nH+]1 ZINC000335094530 343927302 /nfs/dbraw/zinc/92/73/02/343927302.db2.gz YKBADLBTVONFOT-UHFFFAOYSA-N 1 2 249.264 2.497 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc(C)n1 ZINC000092429127 343955866 /nfs/dbraw/zinc/95/58/66/343955866.db2.gz JAYVACXSRHWLCZ-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc(C)n1 ZINC000092429127 343955867 /nfs/dbraw/zinc/95/58/67/343955867.db2.gz JAYVACXSRHWLCZ-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO C=CC[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000625704071 344048890 /nfs/dbraw/zinc/04/88/90/344048890.db2.gz RRONSPGLMHQDTO-SNVBAGLBSA-N 1 2 233.315 2.345 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000625704071 344048893 /nfs/dbraw/zinc/04/88/93/344048893.db2.gz RRONSPGLMHQDTO-SNVBAGLBSA-N 1 2 233.315 2.345 20 30 BEEDLO CC[C@H](NC(=O)CCCCCC#N)c1[nH]cc[nH+]1 ZINC000588681590 344173668 /nfs/dbraw/zinc/17/36/68/344173668.db2.gz FHWHEVVZVBOVBC-NSHDSACASA-N 1 2 248.330 2.451 20 30 BEEDLO CC[C@@H](NC(=O)CCCCCC#N)c1[nH]cc[nH+]1 ZINC000588681587 344173988 /nfs/dbraw/zinc/17/39/88/344173988.db2.gz FHWHEVVZVBOVBC-LLVKDONJSA-N 1 2 248.330 2.451 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000491712984 259376060 /nfs/dbraw/zinc/37/60/60/259376060.db2.gz ZTTCAWDBSHLLBX-MRVPVSSYSA-N 1 2 224.285 2.110 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000491712984 259376062 /nfs/dbraw/zinc/37/60/62/259376062.db2.gz ZTTCAWDBSHLLBX-MRVPVSSYSA-N 1 2 224.285 2.110 20 30 BEEDLO Cc1[nH]ncc1[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000381349560 344496940 /nfs/dbraw/zinc/49/69/40/344496940.db2.gz ARVVUUUUPXTCFA-SECBINFHSA-N 1 2 218.304 2.063 20 30 BEEDLO C[C@H](c1cccc(O)c1)[N@H+](C)CCC#N ZINC000109781157 344534635 /nfs/dbraw/zinc/53/46/35/344534635.db2.gz NMOUVZJZEPAERS-SNVBAGLBSA-N 1 2 204.273 2.299 20 30 BEEDLO C[C@H](c1cccc(O)c1)[N@@H+](C)CCC#N ZINC000109781157 344534637 /nfs/dbraw/zinc/53/46/37/344534637.db2.gz NMOUVZJZEPAERS-SNVBAGLBSA-N 1 2 204.273 2.299 20 30 BEEDLO FCC[C@@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000626004657 344666422 /nfs/dbraw/zinc/66/64/22/344666422.db2.gz LVMKJBBWPRRDTM-OAHLLOKOSA-N 1 2 247.313 2.099 20 30 BEEDLO FCC[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000626004657 344666423 /nfs/dbraw/zinc/66/64/23/344666423.db2.gz LVMKJBBWPRRDTM-OAHLLOKOSA-N 1 2 247.313 2.099 20 30 BEEDLO N#CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000181549204 347063317 /nfs/dbraw/zinc/06/33/17/347063317.db2.gz IBQGGCWUPHAFCX-CYBMUJFWSA-N 1 2 200.285 2.121 20 30 BEEDLO CCOc1cccc(/C=[NH+]/CC2(C)COC2)c1O ZINC000112561704 344646273 /nfs/dbraw/zinc/64/62/73/344646273.db2.gz VKUMMGGCFLTTCV-VIZOYTHASA-N 1 2 249.310 2.246 20 30 BEEDLO COc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000560144553 344647104 /nfs/dbraw/zinc/64/71/04/344647104.db2.gz YRFGTFGQKWLWHB-GFCCVEGCSA-N 1 2 243.310 2.228 20 30 BEEDLO C=CC[N@H+](Cc1cccs1)Cc1cnnn1C ZINC000119928249 344685051 /nfs/dbraw/zinc/68/50/51/344685051.db2.gz ANXNGDQASDUQRO-UHFFFAOYSA-N 1 2 248.355 2.065 20 30 BEEDLO C=CC[N@@H+](Cc1cccs1)Cc1cnnn1C ZINC000119928249 344685053 /nfs/dbraw/zinc/68/50/53/344685053.db2.gz ANXNGDQASDUQRO-UHFFFAOYSA-N 1 2 248.355 2.065 20 30 BEEDLO CCc1nc(C[NH2+]CC2(C#N)CC2)cs1 ZINC000380296228 344820940 /nfs/dbraw/zinc/82/09/40/344820940.db2.gz CSYHLOMFDCMDEK-UHFFFAOYSA-N 1 2 221.329 2.099 20 30 BEEDLO Cc1cnc([C@H](C)[NH2+]Cc2cc(C#N)n(C)c2)o1 ZINC000235522497 344931315 /nfs/dbraw/zinc/93/13/15/344931315.db2.gz UBGHIIIYNGSBIM-JTQLQIEISA-N 1 2 244.298 2.044 20 30 BEEDLO Cc1cc(N[C@H](C)C[C@@H]2CCCO2)c(C#N)c[nH+]1 ZINC000425230426 192085440 /nfs/dbraw/zinc/08/54/40/192085440.db2.gz SRGFBFVJHALYQD-YPMHNXCESA-N 1 2 245.326 2.053 20 30 BEEDLO Cc1cc(NCCC2(F)CCC2)c(C#N)c[nH+]1 ZINC000425266398 192086439 /nfs/dbraw/zinc/08/64/39/192086439.db2.gz HSBUTSZATUIDGO-UHFFFAOYSA-N 1 2 233.290 2.378 20 30 BEEDLO Cc1cc(N[C@H]2CCC[C@@H]3C[C@@H]32)c(C#N)c[nH+]1 ZINC000425267015 192086599 /nfs/dbraw/zinc/08/65/99/192086599.db2.gz KGOOIUNYLXIIFZ-WXHSDQCUSA-N 1 2 227.311 2.284 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(C#N)s1 ZINC000132297495 345326033 /nfs/dbraw/zinc/32/60/33/345326033.db2.gz NSLIHGRZURRNII-SECBINFHSA-N 1 2 219.313 2.354 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000132297495 345326035 /nfs/dbraw/zinc/32/60/35/345326035.db2.gz NSLIHGRZURRNII-SECBINFHSA-N 1 2 219.313 2.354 20 30 BEEDLO N#CC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000134915845 345426250 /nfs/dbraw/zinc/42/62/50/345426250.db2.gz BUGYKWRXDGSPMY-UHFFFAOYSA-N 1 2 226.283 2.303 20 30 BEEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCOCC1 ZINC000135094213 345431921 /nfs/dbraw/zinc/43/19/21/345431921.db2.gz IEHQGRFZRAYBHX-UHFFFAOYSA-N 1 2 244.338 2.320 20 30 BEEDLO CC[C@@](C)(C#N)C(=O)Nc1cc[nH+]c(C)c1 ZINC000136272708 345494502 /nfs/dbraw/zinc/49/45/02/345494502.db2.gz CNSQJXYLDHKAQO-LBPRGKRZSA-N 1 2 217.272 2.268 20 30 BEEDLO CC[N@H+](CCC#N)[C@H](C)c1cccnc1 ZINC000081039839 345459030 /nfs/dbraw/zinc/45/90/30/345459030.db2.gz ADKNYOZWJJVWAO-LLVKDONJSA-N 1 2 203.289 2.378 20 30 BEEDLO CC[N@@H+](CCC#N)[C@H](C)c1cccnc1 ZINC000081039839 345459032 /nfs/dbraw/zinc/45/90/32/345459032.db2.gz ADKNYOZWJJVWAO-LLVKDONJSA-N 1 2 203.289 2.378 20 30 BEEDLO COc1ccc(C[N@H+](CCC#N)C(C)C)cn1 ZINC000085822415 345535825 /nfs/dbraw/zinc/53/58/25/345535825.db2.gz KFGHIJQDVHQZSQ-UHFFFAOYSA-N 1 2 233.315 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](CCC#N)C(C)C)cn1 ZINC000085822415 345535826 /nfs/dbraw/zinc/53/58/26/345535826.db2.gz KFGHIJQDVHQZSQ-UHFFFAOYSA-N 1 2 233.315 2.214 20 30 BEEDLO CCCc1csc(C[NH2+]CC2(C#N)CC2)n1 ZINC000381401902 345805070 /nfs/dbraw/zinc/80/50/70/345805070.db2.gz RGTWQYAXFXCROZ-UHFFFAOYSA-N 1 2 235.356 2.489 20 30 BEEDLO C=CC[C@H](C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635576059 345846648 /nfs/dbraw/zinc/84/66/48/345846648.db2.gz KOTYTBZWYQYENT-JTQLQIEISA-N 1 2 243.310 2.337 20 30 BEEDLO C=C[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635676874 345971417 /nfs/dbraw/zinc/97/14/17/345971417.db2.gz ZGKNJMANXQFLST-NEPJUHHUSA-N 1 2 235.331 2.161 20 30 BEEDLO C=CCCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635872665 346093464 /nfs/dbraw/zinc/09/34/64/346093464.db2.gz RSAQZTQNRZOLEO-UHFFFAOYSA-N 1 2 243.310 2.339 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635866573 346097586 /nfs/dbraw/zinc/09/75/86/346097586.db2.gz IJAGMAJSXPUBHS-IJLUTSLNSA-N 1 2 245.326 2.080 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635866573 346097587 /nfs/dbraw/zinc/09/75/87/346097587.db2.gz IJAGMAJSXPUBHS-IJLUTSLNSA-N 1 2 245.326 2.080 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000586779086 346099811 /nfs/dbraw/zinc/09/98/11/346099811.db2.gz WWPBRTSLGHSZSD-QCQGSNGOSA-N 1 2 241.400 2.020 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000586779086 346099812 /nfs/dbraw/zinc/09/98/12/346099812.db2.gz WWPBRTSLGHSZSD-QCQGSNGOSA-N 1 2 241.400 2.020 20 30 BEEDLO C=C(C)CCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635986750 346139573 /nfs/dbraw/zinc/13/95/73/346139573.db2.gz SBDYRTZZCAAHNY-UHFFFAOYSA-N 1 2 243.310 2.339 20 30 BEEDLO CC#CC[C@@H](CO)Nc1cc(CCCC)[nH+]cn1 ZINC000631327840 346236320 /nfs/dbraw/zinc/23/63/20/346236320.db2.gz IYNNLVOJQQWLMG-ZDUSSCGKSA-N 1 2 247.342 2.005 20 30 BEEDLO CC#CC[C@H](CO)Nc1cc(CCCC)[nH+]cn1 ZINC000631327839 346236847 /nfs/dbraw/zinc/23/68/47/346236847.db2.gz IYNNLVOJQQWLMG-CYBMUJFWSA-N 1 2 247.342 2.005 20 30 BEEDLO C=CC[NH+](CC=C)[C@@H](CCCC)C(=O)OC ZINC000162081850 346348158 /nfs/dbraw/zinc/34/81/58/346348158.db2.gz OTCXIAVVISYEIE-LBPRGKRZSA-N 1 2 225.332 2.392 20 30 BEEDLO N#CC[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000603405729 349954721 /nfs/dbraw/zinc/95/47/21/349954721.db2.gz PENUKRDWZHORFR-JTQLQIEISA-N 1 2 219.263 2.351 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000282040127 346376592 /nfs/dbraw/zinc/37/65/92/346376592.db2.gz FXFOBUBIOAVCJI-SECBINFHSA-N 1 2 213.712 2.132 20 30 BEEDLO Cc1cccc(CCNc2ccc(C#N)nc2)[nH+]1 ZINC000359830202 179062085 /nfs/dbraw/zinc/06/20/85/179062085.db2.gz JUUKIUDEMFRSIH-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO N#CC1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000186201877 346497247 /nfs/dbraw/zinc/49/72/47/346497247.db2.gz FYYTVNDVVRGTID-UHFFFAOYSA-N 1 2 234.274 2.267 20 30 BEEDLO CC(C)c1csc(C[NH2+]CCC#N)n1 ZINC000580185638 346634384 /nfs/dbraw/zinc/63/43/84/346634384.db2.gz OYMZXCPMUDUPGR-UHFFFAOYSA-N 1 2 209.318 2.270 20 30 BEEDLO Cc1cn[nH]c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000589312437 346689538 /nfs/dbraw/zinc/68/95/38/346689538.db2.gz ITVBGAIAKKBYRB-UHFFFAOYSA-N 1 2 244.273 2.019 20 30 BEEDLO Cc1c[nH]nc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000589312437 346689542 /nfs/dbraw/zinc/68/95/42/346689542.db2.gz ITVBGAIAKKBYRB-UHFFFAOYSA-N 1 2 244.273 2.019 20 30 BEEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cocn1)CC2 ZINC000589342815 346690473 /nfs/dbraw/zinc/69/04/73/346690473.db2.gz OFIWAFRATSHDHO-CQSZACIVSA-N 1 2 239.278 2.323 20 30 BEEDLO C[C@@H]1COCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000589987161 346761117 /nfs/dbraw/zinc/76/11/17/346761117.db2.gz ZUEQJTWBOBKHEJ-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1COCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000589987161 346761119 /nfs/dbraw/zinc/76/11/19/346761119.db2.gz ZUEQJTWBOBKHEJ-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO N#Cc1cc(Cl)cc(C[NH+]2CCC2)c1 ZINC000669380276 537987888 /nfs/dbraw/zinc/98/78/88/537987888.db2.gz WMOYWOPBMAZZTO-UHFFFAOYSA-N 1 2 206.676 2.417 20 30 BEEDLO Cc1cc(CNc2c[nH]c[nH+]2)ccc1C#N ZINC000309839284 347181939 /nfs/dbraw/zinc/18/19/39/347181939.db2.gz CGKUSPYEOYHGIV-UHFFFAOYSA-N 1 2 212.256 2.202 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000491808213 347219454 /nfs/dbraw/zinc/21/94/54/347219454.db2.gz VPVMGXMFOHEVJP-NSHDSACASA-N 1 2 241.294 2.190 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000491808213 347219457 /nfs/dbraw/zinc/21/94/57/347219457.db2.gz VPVMGXMFOHEVJP-NSHDSACASA-N 1 2 241.294 2.190 20 30 BEEDLO C[C@@H]1C[C@@H](Nc2ncccc2C#N)c2[nH+]ccn21 ZINC000590723746 347494028 /nfs/dbraw/zinc/49/40/28/347494028.db2.gz ZACQZIOVHRRWFH-MWLCHTKSSA-N 1 2 239.282 2.268 20 30 BEEDLO Cc1nsc(C)c1C[N@@H+](C)C[C@H](C)C#N ZINC000590602584 347475835 /nfs/dbraw/zinc/47/58/35/347475835.db2.gz OHGCBQSJJPKDHB-MRVPVSSYSA-N 1 2 223.345 2.351 20 30 BEEDLO Cc1nsc(C)c1C[N@H+](C)C[C@H](C)C#N ZINC000590602584 347475838 /nfs/dbraw/zinc/47/58/38/347475838.db2.gz OHGCBQSJJPKDHB-MRVPVSSYSA-N 1 2 223.345 2.351 20 30 BEEDLO C[C@]1(C#N)CCC[N@H+](CCc2cscn2)C1 ZINC000590715509 347499963 /nfs/dbraw/zinc/49/99/63/347499963.db2.gz KWJDNMCIQIDHOM-GFCCVEGCSA-N 1 2 235.356 2.311 20 30 BEEDLO C[C@]1(C#N)CCC[N@@H+](CCc2cscn2)C1 ZINC000590715509 347499967 /nfs/dbraw/zinc/49/99/67/347499967.db2.gz KWJDNMCIQIDHOM-GFCCVEGCSA-N 1 2 235.356 2.311 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(=O)OC ZINC000591373544 347649489 /nfs/dbraw/zinc/64/94/89/347649489.db2.gz WRHZWZHHTOXWKV-IHRRRGAJSA-N 1 2 245.322 2.107 20 30 BEEDLO Cc1occc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000591727936 347693179 /nfs/dbraw/zinc/69/31/79/347693179.db2.gz NQKXBOGTNBXQDX-LLVKDONJSA-N 1 2 217.272 2.121 20 30 BEEDLO Cc1occc1C[N@@H+](C)Cc1ccncc1C#N ZINC000592062671 347725963 /nfs/dbraw/zinc/72/59/63/347725963.db2.gz BTLCTNLRWXJOMV-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1occc1C[N@H+](C)Cc1ccncc1C#N ZINC000592062671 347725966 /nfs/dbraw/zinc/72/59/66/347725966.db2.gz BTLCTNLRWXJOMV-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccncc1C#N ZINC000592069899 347727173 /nfs/dbraw/zinc/72/71/73/347727173.db2.gz YNDUXDOAXXNNDR-MNOVXSKESA-N 1 2 247.367 2.279 20 30 BEEDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccncc1C#N ZINC000592069899 347727176 /nfs/dbraw/zinc/72/71/76/347727176.db2.gz YNDUXDOAXXNNDR-MNOVXSKESA-N 1 2 247.367 2.279 20 30 BEEDLO C[C@@H]1C[NH+](Cc2ccncc2C#N)C[C@@H](C)S1 ZINC000592072385 347728023 /nfs/dbraw/zinc/72/80/23/347728023.db2.gz JUNDHEVAMKWMCY-GHMZBOCLSA-N 1 2 247.367 2.279 20 30 BEEDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC1(C#N)CC1 ZINC000593058311 347847890 /nfs/dbraw/zinc/84/78/90/347847890.db2.gz LIATXWPEVZTZSV-NSHDSACASA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@H]1COC(C)(C)C[N@H+]1CC1(C#N)CC1 ZINC000593058311 347847894 /nfs/dbraw/zinc/84/78/94/347847894.db2.gz LIATXWPEVZTZSV-NSHDSACASA-N 1 2 222.332 2.180 20 30 BEEDLO CCC[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593123915 347863395 /nfs/dbraw/zinc/86/33/95/347863395.db2.gz GYMGWBHNJBEGPI-ZDUSSCGKSA-N 1 2 230.311 2.035 20 30 BEEDLO CCC[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593123915 347863397 /nfs/dbraw/zinc/86/33/97/347863397.db2.gz GYMGWBHNJBEGPI-ZDUSSCGKSA-N 1 2 230.311 2.035 20 30 BEEDLO CC[C@@H](C#N)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000593442608 347891559 /nfs/dbraw/zinc/89/15/59/347891559.db2.gz VDIBZUQVGGWHKG-QWRGUYRKSA-N 1 2 246.314 2.013 20 30 BEEDLO CC[C@@H](C#N)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000593445693 347892631 /nfs/dbraw/zinc/89/26/31/347892631.db2.gz JONDEXGBIJZXEH-JTQLQIEISA-N 1 2 242.282 2.131 20 30 BEEDLO N#Cc1cccc2c1C[N@H+](CC1=CCCOC1)C2 ZINC000593698905 347930602 /nfs/dbraw/zinc/93/06/02/347930602.db2.gz XMZDJFXIRHFDCB-UHFFFAOYSA-N 1 2 240.306 2.221 20 30 BEEDLO N#Cc1cccc2c1C[N@@H+](CC1=CCCOC1)C2 ZINC000593698905 347930606 /nfs/dbraw/zinc/93/06/06/347930606.db2.gz XMZDJFXIRHFDCB-UHFFFAOYSA-N 1 2 240.306 2.221 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cc2cnccc2o1 ZINC000593615892 347916161 /nfs/dbraw/zinc/91/61/61/347916161.db2.gz UQYRVTXYFJOKGE-VIFPVBQESA-N 1 2 215.256 2.077 20 30 BEEDLO C=CCCCCC[NH2+][C@@H](C=C)C(=O)OC ZINC000594557063 348071425 /nfs/dbraw/zinc/07/14/25/348071425.db2.gz XCIXKANGUUPXTN-NSHDSACASA-N 1 2 211.305 2.050 20 30 BEEDLO N#CCC[C@H](C#N)C[NH2+]CC1(C#N)CCCCC1 ZINC000594717657 348106967 /nfs/dbraw/zinc/10/69/67/348106967.db2.gz NUDNXZIOJKHDJE-CYBMUJFWSA-N 1 2 244.342 2.494 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cnc2ccccc2n1 ZINC000595302531 348219706 /nfs/dbraw/zinc/21/97/06/348219706.db2.gz VJPFGTRKZLBGCO-LLVKDONJSA-N 1 2 240.310 2.221 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnc2ccccc2n1 ZINC000595302531 348219708 /nfs/dbraw/zinc/21/97/08/348219708.db2.gz VJPFGTRKZLBGCO-LLVKDONJSA-N 1 2 240.310 2.221 20 30 BEEDLO COC[C@H]1CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595329507 348227555 /nfs/dbraw/zinc/22/75/55/348227555.db2.gz GWZMPQUOBBTVGL-JSGCOSHPSA-N 1 2 230.311 2.220 20 30 BEEDLO COC[C@H]1CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000595329507 348227557 /nfs/dbraw/zinc/22/75/57/348227557.db2.gz GWZMPQUOBBTVGL-JSGCOSHPSA-N 1 2 230.311 2.220 20 30 BEEDLO N#CC1(C[NH2+][C@H]2CCn3ccnc32)CCCCC1 ZINC000595090677 348191147 /nfs/dbraw/zinc/19/11/47/348191147.db2.gz KTIAZRDUZZFJSB-LBPRGKRZSA-N 1 2 244.342 2.392 20 30 BEEDLO Cc1cccnc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352845319 179382658 /nfs/dbraw/zinc/38/26/58/179382658.db2.gz HZTTXWHTXRRRAV-UHFFFAOYSA-N 1 2 244.323 2.008 20 30 BEEDLO Cc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)nc(C)n1 ZINC000595423705 348246400 /nfs/dbraw/zinc/24/64/00/348246400.db2.gz GLDCZYCLCVDQKM-AWEZNQCLSA-N 1 2 244.342 2.219 20 30 BEEDLO Cc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)nc(C)n1 ZINC000595423705 348246404 /nfs/dbraw/zinc/24/64/04/348246404.db2.gz GLDCZYCLCVDQKM-AWEZNQCLSA-N 1 2 244.342 2.219 20 30 BEEDLO Cc1nc(C[NH+]2CCC(C)(C#N)CC2)c(C)o1 ZINC000595429295 348248407 /nfs/dbraw/zinc/24/84/07/348248407.db2.gz RUKPAFCLHBRGKU-UHFFFAOYSA-N 1 2 233.315 2.417 20 30 BEEDLO N#C[C@]1(F)CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000595455308 348254777 /nfs/dbraw/zinc/25/47/77/348254777.db2.gz MDCXDVXNEPRGAI-YVECIDJPSA-N 1 2 222.307 2.360 20 30 BEEDLO N#C[C@]1(F)CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000595455308 348254778 /nfs/dbraw/zinc/25/47/78/348254778.db2.gz MDCXDVXNEPRGAI-YVECIDJPSA-N 1 2 222.307 2.360 20 30 BEEDLO N#C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CCCO)C1 ZINC000595521519 348270081 /nfs/dbraw/zinc/27/00/81/348270081.db2.gz DNAPNGIZEJPJJU-ZFWWWQNUSA-N 1 2 244.338 2.346 20 30 BEEDLO N#C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CCCO)C1 ZINC000595521519 348270084 /nfs/dbraw/zinc/27/00/84/348270084.db2.gz DNAPNGIZEJPJJU-ZFWWWQNUSA-N 1 2 244.338 2.346 20 30 BEEDLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595613302 348288010 /nfs/dbraw/zinc/28/80/10/348288010.db2.gz AIXTYQYBMLFDOJ-QWRGUYRKSA-N 1 2 248.330 2.319 20 30 BEEDLO CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595613302 348288013 /nfs/dbraw/zinc/28/80/13/348288013.db2.gz AIXTYQYBMLFDOJ-QWRGUYRKSA-N 1 2 248.330 2.319 20 30 BEEDLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595613296 348288268 /nfs/dbraw/zinc/28/82/68/348288268.db2.gz ACWALERPRBTFFZ-GXSJLCMTSA-N 1 2 234.303 2.065 20 30 BEEDLO Cc1nnc([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595613296 348288269 /nfs/dbraw/zinc/28/82/69/348288269.db2.gz ACWALERPRBTFFZ-GXSJLCMTSA-N 1 2 234.303 2.065 20 30 BEEDLO N#CC[C@H]1CCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000595617357 348290106 /nfs/dbraw/zinc/29/01/06/348290106.db2.gz YZKNRYZQWDSMPW-SNVBAGLBSA-N 1 2 246.314 2.073 20 30 BEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000595617357 348290110 /nfs/dbraw/zinc/29/01/10/348290110.db2.gz YZKNRYZQWDSMPW-SNVBAGLBSA-N 1 2 246.314 2.073 20 30 BEEDLO Cc1nc(C[N@@H+]2CCC[C@H](CC#N)C2)c(C)o1 ZINC000595622844 348290723 /nfs/dbraw/zinc/29/07/23/348290723.db2.gz DVLUDXDDZRFREJ-GFCCVEGCSA-N 1 2 233.315 2.417 20 30 BEEDLO Cc1nc(C[N@H+]2CCC[C@H](CC#N)C2)c(C)o1 ZINC000595622844 348290726 /nfs/dbraw/zinc/29/07/26/348290726.db2.gz DVLUDXDDZRFREJ-GFCCVEGCSA-N 1 2 233.315 2.417 20 30 BEEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC000595623637 348291957 /nfs/dbraw/zinc/29/19/57/348291957.db2.gz WCKHQEXLQULNMD-NSHDSACASA-N 1 2 247.346 2.054 20 30 BEEDLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC000595623637 348291958 /nfs/dbraw/zinc/29/19/58/348291958.db2.gz WCKHQEXLQULNMD-NSHDSACASA-N 1 2 247.346 2.054 20 30 BEEDLO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1cscn1 ZINC000595668937 348302652 /nfs/dbraw/zinc/30/26/52/348302652.db2.gz RQCGHHUIFUNIND-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)C(=O)OC ZINC000595706148 348308413 /nfs/dbraw/zinc/30/84/13/348308413.db2.gz GWWQLGKJRQUYHK-LEWSCRJBSA-N 1 2 245.322 2.032 20 30 BEEDLO CC[N@H+](CCc1ccc2c(c1)CCO2)[C@H](C)C#N ZINC000595813101 348353002 /nfs/dbraw/zinc/35/30/02/348353002.db2.gz KSSXEBHYOOUCAY-GFCCVEGCSA-N 1 2 244.338 2.398 20 30 BEEDLO CC[N@@H+](CCc1ccc2c(c1)CCO2)[C@H](C)C#N ZINC000595813101 348353004 /nfs/dbraw/zinc/35/30/04/348353004.db2.gz KSSXEBHYOOUCAY-GFCCVEGCSA-N 1 2 244.338 2.398 20 30 BEEDLO COc1ccc2c(c1)CC[N@@H+](CC1(C#N)CC1)C2 ZINC000595758823 348331783 /nfs/dbraw/zinc/33/17/83/348331783.db2.gz HTKDEOSHIDGZET-UHFFFAOYSA-N 1 2 242.322 2.357 20 30 BEEDLO COc1ccc2c(c1)CC[N@H+](CC1(C#N)CC1)C2 ZINC000595758823 348331787 /nfs/dbraw/zinc/33/17/87/348331787.db2.gz HTKDEOSHIDGZET-UHFFFAOYSA-N 1 2 242.322 2.357 20 30 BEEDLO CCN(CCc1cc[nH+]cc1C)[C@@H](C)C#N ZINC000595816218 348343542 /nfs/dbraw/zinc/34/35/42/348343542.db2.gz FPBUWWUXJUDHIP-LBPRGKRZSA-N 1 2 217.316 2.167 20 30 BEEDLO CC[N@H+](CCc1ccc(C#N)cc1)[C@@H](C)C#N ZINC000595817529 348343991 /nfs/dbraw/zinc/34/39/91/348343991.db2.gz KUAKFOVCCZCOTA-LBPRGKRZSA-N 1 2 227.311 2.335 20 30 BEEDLO CC[N@@H+](CCc1ccc(C#N)cc1)[C@@H](C)C#N ZINC000595817529 348343993 /nfs/dbraw/zinc/34/39/93/348343993.db2.gz KUAKFOVCCZCOTA-LBPRGKRZSA-N 1 2 227.311 2.335 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595835352 348369220 /nfs/dbraw/zinc/36/92/20/348369220.db2.gz OUTVIJFLMYFPAH-ZDUSSCGKSA-N 1 2 245.282 2.330 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595835352 348369222 /nfs/dbraw/zinc/36/92/22/348369222.db2.gz OUTVIJFLMYFPAH-ZDUSSCGKSA-N 1 2 245.282 2.330 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595835350 348369450 /nfs/dbraw/zinc/36/94/50/348369450.db2.gz OUTVIJFLMYFPAH-CYBMUJFWSA-N 1 2 245.282 2.330 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595835350 348369453 /nfs/dbraw/zinc/36/94/53/348369453.db2.gz OUTVIJFLMYFPAH-CYBMUJFWSA-N 1 2 245.282 2.330 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](CCC(F)(F)F)C1 ZINC000595838454 348371836 /nfs/dbraw/zinc/37/18/36/348371836.db2.gz UQLSJQBBQPGRLQ-MRVPVSSYSA-N 1 2 206.211 2.174 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](CCC(F)(F)F)C1 ZINC000595838454 348371840 /nfs/dbraw/zinc/37/18/40/348371840.db2.gz UQLSJQBBQPGRLQ-MRVPVSSYSA-N 1 2 206.211 2.174 20 30 BEEDLO Cc1noc(C)c1CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842412 348378063 /nfs/dbraw/zinc/37/80/63/348378063.db2.gz FBUZTPPCKVWLJL-ZDUSSCGKSA-N 1 2 233.315 2.070 20 30 BEEDLO Cc1noc(C)c1CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842412 348378067 /nfs/dbraw/zinc/37/80/67/348378067.db2.gz FBUZTPPCKVWLJL-ZDUSSCGKSA-N 1 2 233.315 2.070 20 30 BEEDLO Cc1nc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000595843789 348380879 /nfs/dbraw/zinc/38/08/79/348380879.db2.gz NPHMLQVXJGTSSN-LBPRGKRZSA-N 1 2 219.288 2.027 20 30 BEEDLO Cc1nc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000595843789 348380883 /nfs/dbraw/zinc/38/08/83/348380883.db2.gz NPHMLQVXJGTSSN-LBPRGKRZSA-N 1 2 219.288 2.027 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000595844872 348353863 /nfs/dbraw/zinc/35/38/63/348353863.db2.gz WNVWOYAOHHWUQS-AWEZNQCLSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000595844872 348353865 /nfs/dbraw/zinc/35/38/65/348353865.db2.gz WNVWOYAOHHWUQS-AWEZNQCLSA-N 1 2 229.327 2.434 20 30 BEEDLO CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)[C@H](C)C#N ZINC000595819774 348360461 /nfs/dbraw/zinc/36/04/61/348360461.db2.gz DVEBBWMZAFKNKY-GRYCIOLGSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)[C@H](C)C#N ZINC000595819774 348360462 /nfs/dbraw/zinc/36/04/62/348360462.db2.gz DVEBBWMZAFKNKY-GRYCIOLGSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@H+](C[C@@H](OC)C1CCC1)[C@@H](C)C#N ZINC000595820968 348362490 /nfs/dbraw/zinc/36/24/90/348362490.db2.gz ZEXLBVNUEZPANW-CMPLNLGQSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@@H+](C[C@@H](OC)C1CCC1)[C@@H](C)C#N ZINC000595820968 348362495 /nfs/dbraw/zinc/36/24/95/348362495.db2.gz ZEXLBVNUEZPANW-CMPLNLGQSA-N 1 2 210.321 2.035 20 30 BEEDLO C=C1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000264464996 187397458 /nfs/dbraw/zinc/39/74/58/187397458.db2.gz LKNHCNJNRNQPAR-UHFFFAOYSA-N 1 2 206.289 2.443 20 30 BEEDLO CCCC[C@H]([NH2+]CC(C)(C)CC#N)C(=O)OC ZINC000419350611 192125529 /nfs/dbraw/zinc/12/55/29/192125529.db2.gz OAHVJSXFNRHCAI-NSHDSACASA-N 1 2 240.347 2.248 20 30 BEEDLO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CCC#N ZINC000419399068 192131406 /nfs/dbraw/zinc/13/14/06/192131406.db2.gz IWANNTJWTWOABU-ZDUSSCGKSA-N 1 2 245.326 2.147 20 30 BEEDLO Cc1ncccc1OC[C@@H]1CCC[N@H+]1CCC#N ZINC000419399068 192131408 /nfs/dbraw/zinc/13/14/08/192131408.db2.gz IWANNTJWTWOABU-ZDUSSCGKSA-N 1 2 245.326 2.147 20 30 BEEDLO Cc1cc[nH+]cc1Cc1noc(C(C)(C)C#N)n1 ZINC000596616335 348594224 /nfs/dbraw/zinc/59/42/24/348594224.db2.gz HYSQVWBFWRANQN-UHFFFAOYSA-N 1 2 242.282 2.165 20 30 BEEDLO Cc1cc(NC[C@@H]2CCC[C@@H](C)O2)c(C#N)c[nH+]1 ZINC000596479910 348556557 /nfs/dbraw/zinc/55/65/57/348556557.db2.gz WSHIWZUDUGIVFA-YPMHNXCESA-N 1 2 245.326 2.053 20 30 BEEDLO Cc1cc(NCC2=CCCC2)c(C#N)c[nH+]1 ZINC000596518126 348575926 /nfs/dbraw/zinc/57/59/26/348575926.db2.gz RMTMASOATDHWHZ-UHFFFAOYSA-N 1 2 213.284 2.206 20 30 BEEDLO CC(C)(CCC#N)C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000597186498 348683841 /nfs/dbraw/zinc/68/38/41/348683841.db2.gz GYSZOHSHBZLHDN-JTQLQIEISA-N 1 2 246.301 2.018 20 30 BEEDLO CC(C)(CCC#N)C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000597186498 348683844 /nfs/dbraw/zinc/68/38/44/348683844.db2.gz GYSZOHSHBZLHDN-JTQLQIEISA-N 1 2 246.301 2.018 20 30 BEEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1O ZINC000597231465 348699220 /nfs/dbraw/zinc/69/92/20/348699220.db2.gz XRVUKAKQMGYEMU-AWEZNQCLSA-N 1 2 246.310 2.136 20 30 BEEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1O ZINC000597231465 348699222 /nfs/dbraw/zinc/69/92/22/348699222.db2.gz XRVUKAKQMGYEMU-AWEZNQCLSA-N 1 2 246.310 2.136 20 30 BEEDLO C=CC[C@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000184281893 348805140 /nfs/dbraw/zinc/80/51/40/348805140.db2.gz UCHMMMSNWBGYAG-SNVBAGLBSA-N 1 2 241.718 2.072 20 30 BEEDLO Cc1cn2ccc(NC(=O)[C@H](C)CC#N)cc2[nH+]1 ZINC000598469287 348979887 /nfs/dbraw/zinc/97/98/87/348979887.db2.gz PMMFNSIFBXVGIN-SECBINFHSA-N 1 2 242.282 2.131 20 30 BEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000598598935 348992128 /nfs/dbraw/zinc/99/21/28/348992128.db2.gz JWTVGEYYEFTZHU-UWVGGRQHSA-N 1 2 246.301 2.017 20 30 BEEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000598598935 348992131 /nfs/dbraw/zinc/99/21/31/348992131.db2.gz JWTVGEYYEFTZHU-UWVGGRQHSA-N 1 2 246.301 2.017 20 30 BEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000598598936 348992183 /nfs/dbraw/zinc/99/21/83/348992183.db2.gz JWTVGEYYEFTZHU-ZJUUUORDSA-N 1 2 246.301 2.017 20 30 BEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000598598936 348992184 /nfs/dbraw/zinc/99/21/84/348992184.db2.gz JWTVGEYYEFTZHU-ZJUUUORDSA-N 1 2 246.301 2.017 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccn1 ZINC000598628517 349004719 /nfs/dbraw/zinc/00/47/19/349004719.db2.gz PAENIOPBXRMKOS-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccn1 ZINC000598628517 349004722 /nfs/dbraw/zinc/00/47/22/349004722.db2.gz PAENIOPBXRMKOS-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO CCOc1cncc(C[N@H+](CC)C[C@H](C)C#N)c1 ZINC000598679609 349021968 /nfs/dbraw/zinc/02/19/68/349021968.db2.gz WMKYAEUOUDICEX-GFCCVEGCSA-N 1 2 247.342 2.462 20 30 BEEDLO CCOc1cncc(C[N@@H+](CC)C[C@H](C)C#N)c1 ZINC000598679609 349021971 /nfs/dbraw/zinc/02/19/71/349021971.db2.gz WMKYAEUOUDICEX-GFCCVEGCSA-N 1 2 247.342 2.462 20 30 BEEDLO COc1ccc[nH+]c1N1CCC[C@H](CC#N)C1 ZINC000599098113 349092934 /nfs/dbraw/zinc/09/29/34/349092934.db2.gz CGLCIGCIIGBWTA-LLVKDONJSA-N 1 2 231.299 2.220 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599268432 349136554 /nfs/dbraw/zinc/13/65/54/349136554.db2.gz YUTGRLUVGCYOHU-HNNXBMFYSA-N 1 2 244.338 2.478 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599268432 349136557 /nfs/dbraw/zinc/13/65/57/349136557.db2.gz YUTGRLUVGCYOHU-HNNXBMFYSA-N 1 2 244.338 2.478 20 30 BEEDLO Cc1ccc(C[N@H+]2CCOC[C@H]2C)cc1C#N ZINC000599385548 349160986 /nfs/dbraw/zinc/16/09/86/349160986.db2.gz JDNNICMQLKGKDY-GFCCVEGCSA-N 1 2 230.311 2.087 20 30 BEEDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1C#N ZINC000599385548 349160989 /nfs/dbraw/zinc/16/09/89/349160989.db2.gz JDNNICMQLKGKDY-GFCCVEGCSA-N 1 2 230.311 2.087 20 30 BEEDLO CCc1c[nH+]ccc1NC(=O)C(C#N)(CC)CC ZINC000599501180 349201033 /nfs/dbraw/zinc/20/10/33/349201033.db2.gz XGIYAPCXPUUMAK-UHFFFAOYSA-N 1 2 245.326 2.334 20 30 BEEDLO N#CCC[NH+]1CC(Cc2cccs2)C1 ZINC000601964824 349403848 /nfs/dbraw/zinc/40/38/48/349403848.db2.gz PTFJCLHYIROLDR-UHFFFAOYSA-N 1 2 206.314 2.136 20 30 BEEDLO CC(C)(C)c1ccc(C[NH2+]CCC#N)c(=O)[nH]1 ZINC000601966386 349404122 /nfs/dbraw/zinc/40/41/22/349404122.db2.gz DIZNUSWRJIBSAS-UHFFFAOYSA-N 1 2 233.315 2.088 20 30 BEEDLO C=CCCCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000365355509 350249657 /nfs/dbraw/zinc/24/96/57/350249657.db2.gz BFILNLLZYNUSLO-LLVKDONJSA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCCCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000365355509 350249660 /nfs/dbraw/zinc/24/96/60/350249660.db2.gz BFILNLLZYNUSLO-LLVKDONJSA-N 1 2 233.302 2.435 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C)cc1 ZINC000304207558 350406374 /nfs/dbraw/zinc/40/63/74/350406374.db2.gz FYZZCVJSCSPBIE-CYBMUJFWSA-N 1 2 233.311 2.154 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)cc1 ZINC000304207558 350406377 /nfs/dbraw/zinc/40/63/77/350406377.db2.gz FYZZCVJSCSPBIE-CYBMUJFWSA-N 1 2 233.311 2.154 20 30 BEEDLO Cc1noc(CCC[N@H+](CC#N)C2CCCC2)n1 ZINC000336707604 350460045 /nfs/dbraw/zinc/46/00/45/350460045.db2.gz KUGLNARLNVZGBQ-UHFFFAOYSA-N 1 2 248.330 2.079 20 30 BEEDLO Cc1noc(CCC[N@@H+](CC#N)C2CCCC2)n1 ZINC000336707604 350460047 /nfs/dbraw/zinc/46/00/47/350460047.db2.gz KUGLNARLNVZGBQ-UHFFFAOYSA-N 1 2 248.330 2.079 20 30 BEEDLO CC[N@@H+](Cc1cccc(OC)n1)C[C@H](C)C#N ZINC000070093659 350499606 /nfs/dbraw/zinc/49/96/06/350499606.db2.gz VKCHFYNRKXCYPR-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO CC[N@H+](Cc1cccc(OC)n1)C[C@H](C)C#N ZINC000070093659 350499612 /nfs/dbraw/zinc/49/96/12/350499612.db2.gz VKCHFYNRKXCYPR-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO C=CCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606903421 350626897 /nfs/dbraw/zinc/62/68/97/350626897.db2.gz YIGHKGXCAFNPPU-SECBINFHSA-N 1 2 223.238 2.216 20 30 BEEDLO C=CCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000606903421 350626902 /nfs/dbraw/zinc/62/69/02/350626902.db2.gz YIGHKGXCAFNPPU-SECBINFHSA-N 1 2 223.238 2.216 20 30 BEEDLO CC#CC[N@@H+](C)Cc1oc(CC)nc1C ZINC000339754548 350818848 /nfs/dbraw/zinc/81/88/48/350818848.db2.gz QZIGKTWXTJTABB-UHFFFAOYSA-N 1 2 206.289 2.001 20 30 BEEDLO CC#CC[N@H+](C)Cc1oc(CC)nc1C ZINC000339754548 350818849 /nfs/dbraw/zinc/81/88/49/350818849.db2.gz QZIGKTWXTJTABB-UHFFFAOYSA-N 1 2 206.289 2.001 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc2c1OCO2 ZINC000271124642 351402940 /nfs/dbraw/zinc/40/29/40/351402940.db2.gz KBBZHTDCHGYINV-JTQLQIEISA-N 1 2 232.283 2.007 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc2c1OCO2 ZINC000271124642 351402944 /nfs/dbraw/zinc/40/29/44/351402944.db2.gz KBBZHTDCHGYINV-JTQLQIEISA-N 1 2 232.283 2.007 20 30 BEEDLO C[C@H]1C[C@@H](C/[NH+]=C/c2cccc(O)c2O)CCO1 ZINC000271359510 351413684 /nfs/dbraw/zinc/41/36/84/351413684.db2.gz MYZQEXBVBSVKTI-BVLLQVSASA-N 1 2 249.310 2.332 20 30 BEEDLO C[C@H](CCC#N)[N@H+](C)Cc1nccn1C(F)F ZINC000276262878 351613308 /nfs/dbraw/zinc/61/33/08/351613308.db2.gz BMJKQMLPFVPNEF-SECBINFHSA-N 1 2 242.273 2.402 20 30 BEEDLO C[C@H](CCC#N)[N@@H+](C)Cc1nccn1C(F)F ZINC000276262878 351613312 /nfs/dbraw/zinc/61/33/12/351613312.db2.gz BMJKQMLPFVPNEF-SECBINFHSA-N 1 2 242.273 2.402 20 30 BEEDLO C[C@@H](CCC#N)[N@H+](C)Cc1cscn1 ZINC000276276527 351613791 /nfs/dbraw/zinc/61/37/91/351613791.db2.gz DYRYLKHWMWSYLW-VIFPVBQESA-N 1 2 209.318 2.267 20 30 BEEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1cscn1 ZINC000276276527 351613795 /nfs/dbraw/zinc/61/37/95/351613795.db2.gz DYRYLKHWMWSYLW-VIFPVBQESA-N 1 2 209.318 2.267 20 30 BEEDLO CC(C)(C#N)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000278351876 351758713 /nfs/dbraw/zinc/75/87/13/351758713.db2.gz NGVFKMPEHKDLSC-UHFFFAOYSA-N 1 2 242.282 2.213 20 30 BEEDLO COc1cc(C[N@H+](CCC#N)C2CC2)ccc1O ZINC000282507845 351934221 /nfs/dbraw/zinc/93/42/21/351934221.db2.gz YRWWQENMRGKUAE-UHFFFAOYSA-N 1 2 246.310 2.279 20 30 BEEDLO COc1cc(C[N@@H+](CCC#N)C2CC2)ccc1O ZINC000282507845 351934224 /nfs/dbraw/zinc/93/42/24/351934224.db2.gz YRWWQENMRGKUAE-UHFFFAOYSA-N 1 2 246.310 2.279 20 30 BEEDLO NC(=[NH+]OC/C=C/c1ccccc1)[C@H]1CCCO1 ZINC000284509639 351999228 /nfs/dbraw/zinc/99/92/28/351999228.db2.gz UAAODPMYTALJFC-FLUIGGAXSA-N 1 2 246.310 2.168 20 30 BEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(CC)cc1 ZINC000339762007 191147515 /nfs/dbraw/zinc/14/75/15/191147515.db2.gz VYDWJZVJHCYLBP-UHFFFAOYSA-N 1 2 244.338 2.143 20 30 BEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(CC)cc1 ZINC000339762007 191147518 /nfs/dbraw/zinc/14/75/18/191147518.db2.gz VYDWJZVJHCYLBP-UHFFFAOYSA-N 1 2 244.338 2.143 20 30 BEEDLO NC(COc1ccccc1)=[NH+]OCCCCF ZINC000285100503 352022100 /nfs/dbraw/zinc/02/21/00/352022100.db2.gz JEZHAHXUFLQMMG-UHFFFAOYSA-N 1 2 240.278 2.104 20 30 BEEDLO C[C@@H]1COCC[C@H]1C/[NH+]=C/c1ccccc1O ZINC000285269669 352033104 /nfs/dbraw/zinc/03/31/04/352033104.db2.gz HVMSJSDNVWIITP-BGAHDCEISA-N 1 2 233.311 2.484 20 30 BEEDLO C[C@H]1COCC[C@@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000285380465 352040952 /nfs/dbraw/zinc/04/09/52/352040952.db2.gz OPWXBCKVBIZRJO-SLDKGUOFSA-N 1 2 249.310 2.189 20 30 BEEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCC#N)C2 ZINC000289428103 352185962 /nfs/dbraw/zinc/18/59/62/352185962.db2.gz CPNAHNOAHAXJHF-UHFFFAOYSA-N 1 2 242.322 2.456 20 30 BEEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](CCC#N)C2 ZINC000289428103 352185967 /nfs/dbraw/zinc/18/59/67/352185967.db2.gz CPNAHNOAHAXJHF-UHFFFAOYSA-N 1 2 242.322 2.456 20 30 BEEDLO CC[C@H](C/[NH+]=C/c1ccccc1O)OC ZINC000290559693 352230743 /nfs/dbraw/zinc/23/07/43/352230743.db2.gz NGOCXVGKIGIVGL-KAQJVSAMSA-N 1 2 207.273 2.236 20 30 BEEDLO CC[C@@H](C/[NH+]=C/c1ccccc1O)OC ZINC000290559696 352230799 /nfs/dbraw/zinc/23/07/99/352230799.db2.gz NGOCXVGKIGIVGL-ZWSXMNCCSA-N 1 2 207.273 2.236 20 30 BEEDLO Cc1nnc(CC/[NH+]=C/c2ccccc2O)s1 ZINC000290660560 352233889 /nfs/dbraw/zinc/23/38/89/352233889.db2.gz XQGMQXNRWUXKCA-MDWZMJQESA-N 1 2 247.323 2.214 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)C(=O)OC ZINC000386994643 363172947 /nfs/dbraw/zinc/17/29/47/363172947.db2.gz GOIXBLXNAXOBQJ-QWRGUYRKSA-N 1 2 225.332 2.130 20 30 BEEDLO C=CC[N@@H+](CCC#N)[C@@H]1Cc2ccccc2[C@H]1O ZINC000292097580 352301933 /nfs/dbraw/zinc/30/19/33/352301933.db2.gz GCKIBMANVPJKKC-HUUCEWRRSA-N 1 2 242.322 2.046 20 30 BEEDLO C=CC[N@H+](CCC#N)[C@@H]1Cc2ccccc2[C@H]1O ZINC000292097580 352301935 /nfs/dbraw/zinc/30/19/35/352301935.db2.gz GCKIBMANVPJKKC-HUUCEWRRSA-N 1 2 242.322 2.046 20 30 BEEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCC#N ZINC000292310167 352314050 /nfs/dbraw/zinc/31/40/50/352314050.db2.gz NGMYCEGAXSIYPY-GFCCVEGCSA-N 1 2 247.317 2.250 20 30 BEEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC#N ZINC000292310167 352314053 /nfs/dbraw/zinc/31/40/53/352314053.db2.gz NGMYCEGAXSIYPY-GFCCVEGCSA-N 1 2 247.317 2.250 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000619535271 352417463 /nfs/dbraw/zinc/41/74/63/352417463.db2.gz ABHPZWDQJYNCJN-UHFFFAOYSA-N 1 2 249.245 2.127 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1ccccn1 ZINC000336745173 352701252 /nfs/dbraw/zinc/70/12/52/352701252.db2.gz AYWXJSLSXQSBDA-JTQLQIEISA-N 1 2 201.273 2.036 20 30 BEEDLO Cc1c[nH+]c(CN2CCCC(C)(C)[C@@H]2C#N)n1C ZINC000342848758 352873982 /nfs/dbraw/zinc/87/39/82/352873982.db2.gz FDMNPNIIAHKCBE-LBPRGKRZSA-N 1 2 246.358 2.243 20 30 BEEDLO C=C[C@@H]1CCCCN1Cc1[nH+]cc(C)n1C ZINC000342854357 352876143 /nfs/dbraw/zinc/87/61/43/352876143.db2.gz QIOCUAMXGCCCIH-GFCCVEGCSA-N 1 2 219.332 2.269 20 30 BEEDLO C=CCCCC(=O)Nc1c[nH+]ccc1OC ZINC000177786584 188079617 /nfs/dbraw/zinc/07/96/17/188079617.db2.gz LZSJSRJRWVWQDP-UHFFFAOYSA-N 1 2 220.272 2.385 20 30 BEEDLO CC[C@H](C#N)[NH2+][C@@H](CCOC)C(C)(C)C ZINC000336768427 353277124 /nfs/dbraw/zinc/27/71/24/353277124.db2.gz UDHLYSHKDJAFOY-MNOVXSKESA-N 1 2 212.337 2.329 20 30 BEEDLO C#CCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000274554078 188201315 /nfs/dbraw/zinc/20/13/15/188201315.db2.gz VPVCNJUOCJBBHV-SNVBAGLBSA-N 1 2 238.381 2.256 20 30 BEEDLO C#CCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000274554078 188201316 /nfs/dbraw/zinc/20/13/16/188201316.db2.gz VPVCNJUOCJBBHV-SNVBAGLBSA-N 1 2 238.381 2.256 20 30 BEEDLO CC[N@H+](CCc1c(C)noc1C)C[C@@H](C)C#N ZINC000165253518 353267396 /nfs/dbraw/zinc/26/73/96/353267396.db2.gz BSYSJAXCJZEEKS-JTQLQIEISA-N 1 2 235.331 2.316 20 30 BEEDLO CC[N@@H+](CCc1c(C)noc1C)C[C@@H](C)C#N ZINC000165253518 353267399 /nfs/dbraw/zinc/26/73/99/353267399.db2.gz BSYSJAXCJZEEKS-JTQLQIEISA-N 1 2 235.331 2.316 20 30 BEEDLO C[C@H]1OCC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC000192075409 353534705 /nfs/dbraw/zinc/53/47/05/353534705.db2.gz CBMVMKIQJKXJRH-ZIAGYGMSSA-N 1 2 229.323 2.147 20 30 BEEDLO C[C@H]1OCC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC000192075409 353534707 /nfs/dbraw/zinc/53/47/07/353534707.db2.gz CBMVMKIQJKXJRH-ZIAGYGMSSA-N 1 2 229.323 2.147 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cnccc1OC ZINC000287424600 353582436 /nfs/dbraw/zinc/58/24/36/353582436.db2.gz TUGDOUBKTIOVOR-UHFFFAOYSA-N 1 2 218.300 2.264 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC000289705685 353637345 /nfs/dbraw/zinc/63/73/45/353637345.db2.gz FWVLQLDZFJOPPC-UHFFFAOYSA-N 1 2 220.316 2.427 20 30 BEEDLO C#CC[N@H+](CC)Cc1cc(C(C)(C)C)on1 ZINC000289705685 353637347 /nfs/dbraw/zinc/63/73/47/353637347.db2.gz FWVLQLDZFJOPPC-UHFFFAOYSA-N 1 2 220.316 2.427 20 30 BEEDLO C=C(C)CC[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000288662461 353604731 /nfs/dbraw/zinc/60/47/31/353604731.db2.gz GOMGVXZITFENAX-UHFFFAOYSA-N 1 2 229.287 2.040 20 30 BEEDLO C#CC[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000293144570 353734459 /nfs/dbraw/zinc/73/44/59/353734459.db2.gz NSLHBMUGHCVMAK-UHFFFAOYSA-N 1 2 235.714 2.340 20 30 BEEDLO C#CC[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000293144570 353734462 /nfs/dbraw/zinc/73/44/62/353734462.db2.gz NSLHBMUGHCVMAK-UHFFFAOYSA-N 1 2 235.714 2.340 20 30 BEEDLO C=C(C)C[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC000065223250 353713248 /nfs/dbraw/zinc/71/32/48/353713248.db2.gz ZQHCKDLXILVGCO-UHFFFAOYSA-N 1 2 233.311 2.238 20 30 BEEDLO C=C(C)C[N@H+](CC(=O)OC)Cc1ccccc1 ZINC000065223250 353713250 /nfs/dbraw/zinc/71/32/50/353713250.db2.gz ZQHCKDLXILVGCO-UHFFFAOYSA-N 1 2 233.311 2.238 20 30 BEEDLO CC#CC[N@H+](C)Cc1cnc(Cl)s1 ZINC000293171722 353735762 /nfs/dbraw/zinc/73/57/62/353735762.db2.gz PDZITWWRWMPLKN-UHFFFAOYSA-N 1 2 214.721 2.252 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cnc(Cl)s1 ZINC000293171722 353735764 /nfs/dbraw/zinc/73/57/64/353735764.db2.gz PDZITWWRWMPLKN-UHFFFAOYSA-N 1 2 214.721 2.252 20 30 BEEDLO C#C[C@@H](NC(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000294236515 353771941 /nfs/dbraw/zinc/77/19/41/353771941.db2.gz OKOGBMRTHOGUAT-GFCCVEGCSA-N 1 2 231.299 2.169 20 30 BEEDLO C#CCCN(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000295056553 353796943 /nfs/dbraw/zinc/79/69/43/353796943.db2.gz BNFLTIZDEQDBTQ-UHFFFAOYSA-N 1 2 232.327 2.162 20 30 BEEDLO C=CC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846007 353818071 /nfs/dbraw/zinc/81/80/71/353818071.db2.gz AJCKWUPOHVKPAI-ZDUSSCGKSA-N 1 2 221.275 2.385 20 30 BEEDLO C=CC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846007 353818072 /nfs/dbraw/zinc/81/80/72/353818072.db2.gz AJCKWUPOHVKPAI-ZDUSSCGKSA-N 1 2 221.275 2.385 20 30 BEEDLO C=CCCO[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000066897055 353819546 /nfs/dbraw/zinc/81/95/46/353819546.db2.gz HUMMDMDLZAUNRX-NSHDSACASA-N 1 2 234.299 2.310 20 30 BEEDLO COC[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1 ZINC000343593917 353942529 /nfs/dbraw/zinc/94/25/29/353942529.db2.gz GPJFYSBRZPYMAG-ZDUSSCGKSA-N 1 2 248.301 2.407 20 30 BEEDLO N#CC1(C[N@H+](Cc2ccncc2)C2CC2)CC1 ZINC000343658595 353955660 /nfs/dbraw/zinc/95/56/60/353955660.db2.gz JNUHPWFICAXMQP-UHFFFAOYSA-N 1 2 227.311 2.350 20 30 BEEDLO N#CC1(C[N@@H+](Cc2ccncc2)C2CC2)CC1 ZINC000343658595 353955664 /nfs/dbraw/zinc/95/56/64/353955664.db2.gz JNUHPWFICAXMQP-UHFFFAOYSA-N 1 2 227.311 2.350 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121793841 358485620 /nfs/dbraw/zinc/48/56/20/358485620.db2.gz GIBKQHNUTFJKQE-HNNXBMFYSA-N 1 2 229.323 2.257 20 30 BEEDLO CC#CC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121793841 358485622 /nfs/dbraw/zinc/48/56/22/358485622.db2.gz GIBKQHNUTFJKQE-HNNXBMFYSA-N 1 2 229.323 2.257 20 30 BEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000334611421 354294802 /nfs/dbraw/zinc/29/48/02/354294802.db2.gz OJHOWMZHJQMTNU-VHSXEESVSA-N 1 2 233.315 2.217 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCC3)C2)s1 ZINC000130519259 181103176 /nfs/dbraw/zinc/10/31/76/181103176.db2.gz LSVZWBBVZWYKCZ-UHFFFAOYSA-N 1 2 248.351 2.375 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCC3)C2)s1 ZINC000130519259 181103177 /nfs/dbraw/zinc/10/31/77/181103177.db2.gz LSVZWBBVZWYKCZ-UHFFFAOYSA-N 1 2 248.351 2.375 20 30 BEEDLO N#Cc1ccc(COCc2[nH]cc[nH+]2)c(F)c1 ZINC000123743887 181110679 /nfs/dbraw/zinc/11/06/79/181110679.db2.gz RJPRNDUIUGEPDD-UHFFFAOYSA-N 1 2 231.230 2.137 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCOCC23CCC3)s1 ZINC000128229909 181104327 /nfs/dbraw/zinc/10/43/27/181104327.db2.gz TZUJWXBDHBJOBZ-UHFFFAOYSA-N 1 2 248.351 2.375 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCOCC23CCC3)s1 ZINC000128229909 181104329 /nfs/dbraw/zinc/10/43/29/181104329.db2.gz TZUJWXBDHBJOBZ-UHFFFAOYSA-N 1 2 248.351 2.375 20 30 BEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1F ZINC000336417068 181105743 /nfs/dbraw/zinc/10/57/43/181105743.db2.gz NBKDRLQZCKBRBU-BETUJISGSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1F ZINC000336417068 181105745 /nfs/dbraw/zinc/10/57/45/181105745.db2.gz NBKDRLQZCKBRBU-BETUJISGSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCC=C(F)C2)cc1 ZINC000272425503 181129660 /nfs/dbraw/zinc/12/96/60/181129660.db2.gz HBGRGEAQYCLKCF-CQSZACIVSA-N 1 2 246.285 2.151 20 30 BEEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCC=C(F)C2)cc1 ZINC000272425503 181129661 /nfs/dbraw/zinc/12/96/61/181129661.db2.gz HBGRGEAQYCLKCF-CQSZACIVSA-N 1 2 246.285 2.151 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1ccc(F)cn1)C1CC1 ZINC000346471354 354955410 /nfs/dbraw/zinc/95/54/10/354955410.db2.gz OVOTZGUWAUAFSS-SNVBAGLBSA-N 1 2 233.290 2.345 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(F)cn1)C1CC1 ZINC000346471354 354955414 /nfs/dbraw/zinc/95/54/14/354955414.db2.gz OVOTZGUWAUAFSS-SNVBAGLBSA-N 1 2 233.290 2.345 20 30 BEEDLO C[C@]1(F)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000335204654 355039767 /nfs/dbraw/zinc/03/97/67/355039767.db2.gz MCHANISDZJCNCA-AWEZNQCLSA-N 1 2 217.287 2.472 20 30 BEEDLO C[C@]1(F)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000335204654 355039770 /nfs/dbraw/zinc/03/97/70/355039770.db2.gz MCHANISDZJCNCA-AWEZNQCLSA-N 1 2 217.287 2.472 20 30 BEEDLO C[C@@]1(F)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000335204655 355039866 /nfs/dbraw/zinc/03/98/66/355039866.db2.gz MCHANISDZJCNCA-CQSZACIVSA-N 1 2 217.287 2.472 20 30 BEEDLO C[C@@]1(F)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000335204655 355039868 /nfs/dbraw/zinc/03/98/68/355039868.db2.gz MCHANISDZJCNCA-CQSZACIVSA-N 1 2 217.287 2.472 20 30 BEEDLO Cc1nn(-c2ccccc2)cc1C[NH2+]CCC#N ZINC000346745556 355090933 /nfs/dbraw/zinc/09/09/33/355090933.db2.gz GDWKJYRMFGSRNI-UHFFFAOYSA-N 1 2 240.310 2.184 20 30 BEEDLO CC[N@H+](CC#N)C[C@H](C)CC1CCOCC1 ZINC000349978450 355556897 /nfs/dbraw/zinc/55/68/97/355556897.db2.gz UKSFDZKURLYHOK-GFCCVEGCSA-N 1 2 224.348 2.285 20 30 BEEDLO CC[N@@H+](CC#N)C[C@H](C)CC1CCOCC1 ZINC000349978450 355556899 /nfs/dbraw/zinc/55/68/99/355556899.db2.gz UKSFDZKURLYHOK-GFCCVEGCSA-N 1 2 224.348 2.285 20 30 BEEDLO Cc1[nH+]c2ccccn2c1CN(C)C[C@@H](C)C#N ZINC000352092542 134061515 /nfs/dbraw/zinc/06/15/15/134061515.db2.gz UWPQOXCFZIFIKI-NSHDSACASA-N 1 2 242.326 2.234 20 30 BEEDLO Cc1nc2ccccn2c1C[N@@H+](C)C[C@@H](C)C#N ZINC000352092542 134061516 /nfs/dbraw/zinc/06/15/16/134061516.db2.gz UWPQOXCFZIFIKI-NSHDSACASA-N 1 2 242.326 2.234 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192070721 355952100 /nfs/dbraw/zinc/95/21/00/355952100.db2.gz XFACAJLIPULXHF-SNVBAGLBSA-N 1 2 231.274 2.431 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192070721 355952105 /nfs/dbraw/zinc/95/21/05/355952105.db2.gz XFACAJLIPULXHF-SNVBAGLBSA-N 1 2 231.274 2.431 20 30 BEEDLO C=CCCCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000351542753 356012919 /nfs/dbraw/zinc/01/29/19/356012919.db2.gz GNUQRIZHWCAWRL-UHFFFAOYSA-N 1 2 246.358 2.489 20 30 BEEDLO C=CCCCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000351542753 356012922 /nfs/dbraw/zinc/01/29/22/356012922.db2.gz GNUQRIZHWCAWRL-UHFFFAOYSA-N 1 2 246.358 2.489 20 30 BEEDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000336123038 134091884 /nfs/dbraw/zinc/09/18/84/134091884.db2.gz CCXILWNJJAXNEC-HZMBPMFUSA-N 1 2 248.301 2.043 20 30 BEEDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000336123038 134091885 /nfs/dbraw/zinc/09/18/85/134091885.db2.gz CCXILWNJJAXNEC-HZMBPMFUSA-N 1 2 248.301 2.043 20 30 BEEDLO C=CC[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000617780404 356348721 /nfs/dbraw/zinc/34/87/21/356348721.db2.gz VBKNTWFPYUFHNL-GFCCVEGCSA-N 1 2 247.342 2.157 20 30 BEEDLO C=C(C)C[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623289031 356498735 /nfs/dbraw/zinc/49/87/35/356498735.db2.gz KOOTYDCLYVNFOL-LLVKDONJSA-N 1 2 230.311 2.405 20 30 BEEDLO C=C(C)C[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623289031 356498737 /nfs/dbraw/zinc/49/87/37/356498737.db2.gz KOOTYDCLYVNFOL-LLVKDONJSA-N 1 2 230.311 2.405 20 30 BEEDLO CC[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H](CC)O1 ZINC000420940906 192288312 /nfs/dbraw/zinc/28/83/12/192288312.db2.gz DTMCYCDPXFQANC-MCIONIFRSA-N 1 2 249.358 2.319 20 30 BEEDLO CC[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@H](CC)O1 ZINC000420940906 192288313 /nfs/dbraw/zinc/28/83/13/192288313.db2.gz DTMCYCDPXFQANC-MCIONIFRSA-N 1 2 249.358 2.319 20 30 BEEDLO CCC[N@H+](CC#N)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450418360 202161046 /nfs/dbraw/zinc/16/10/46/202161046.db2.gz LPCJBUUMKBNJJV-ZFWWWQNUSA-N 1 2 246.354 2.387 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450418360 202161048 /nfs/dbraw/zinc/16/10/48/202161048.db2.gz LPCJBUUMKBNJJV-ZFWWWQNUSA-N 1 2 246.354 2.387 20 30 BEEDLO CC(C)C[C@H]1COCC[N@@H+]1CC1(C#N)CCC1 ZINC000450401369 202154685 /nfs/dbraw/zinc/15/46/85/202154685.db2.gz IULPEJRAVVQRPO-ZDUSSCGKSA-N 1 2 236.359 2.427 20 30 BEEDLO CC(C)C[C@H]1COCC[N@H+]1CC1(C#N)CCC1 ZINC000450401369 202154688 /nfs/dbraw/zinc/15/46/88/202154688.db2.gz IULPEJRAVVQRPO-ZDUSSCGKSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000354032518 134165871 /nfs/dbraw/zinc/16/58/71/134165871.db2.gz BCRZDYYAMFUZIN-SNVBAGLBSA-N 1 2 229.283 2.275 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000354032518 134165872 /nfs/dbraw/zinc/16/58/72/134165872.db2.gz BCRZDYYAMFUZIN-SNVBAGLBSA-N 1 2 229.283 2.275 20 30 BEEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000090906198 366365335 /nfs/dbraw/zinc/36/53/35/366365335.db2.gz ZFSUVOOMBADGOC-BETUJISGSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000090906198 366365341 /nfs/dbraw/zinc/36/53/41/366365341.db2.gz ZFSUVOOMBADGOC-BETUJISGSA-N 1 2 246.285 2.061 20 30 BEEDLO COc1ccc(COCc2[nH]cc[nH+]2)cc1C#N ZINC000180027684 366358711 /nfs/dbraw/zinc/35/87/11/366358711.db2.gz ZWNFNHXVQMZWEO-UHFFFAOYSA-N 1 2 243.266 2.007 20 30 BEEDLO Cc1nn(C(C)C)cc1C[NH2+]C[C@H](C)C#N ZINC000390348885 357090504 /nfs/dbraw/zinc/09/05/04/357090504.db2.gz OSIZADZGINNGPA-SNVBAGLBSA-N 1 2 220.320 2.022 20 30 BEEDLO C[N@H+](CC#N)C[C@H]1C[C@H]1c1ccccc1 ZINC000361294213 134204398 /nfs/dbraw/zinc/20/43/98/134204398.db2.gz DAGZPMPCHKVVIX-OLZOCXBDSA-N 1 2 200.285 2.245 20 30 BEEDLO C[N@@H+](CC#N)C[C@H]1C[C@H]1c1ccccc1 ZINC000361294213 134204399 /nfs/dbraw/zinc/20/43/99/134204399.db2.gz DAGZPMPCHKVVIX-OLZOCXBDSA-N 1 2 200.285 2.245 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000379657428 357466606 /nfs/dbraw/zinc/46/66/06/357466606.db2.gz MKYQTIDFQWAKBQ-UHFFFAOYSA-N 1 2 210.664 2.326 20 30 BEEDLO Cc1cc[nH+]cc1NCc1cc(C#N)n(C)c1 ZINC000189592749 357644992 /nfs/dbraw/zinc/64/49/92/357644992.db2.gz OBCFEDSNUMIPPJ-UHFFFAOYSA-N 1 2 226.283 2.212 20 30 BEEDLO C=CCN(CCOC)C(=O)Nc1cc[nH+]cc1C ZINC000192387735 357830669 /nfs/dbraw/zinc/83/06/69/357830669.db2.gz GKMSWNSTZOWXRL-UHFFFAOYSA-N 1 2 249.314 2.056 20 30 BEEDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(C#N)cc1F ZINC000610487407 357952239 /nfs/dbraw/zinc/95/22/39/357952239.db2.gz KKNMBOKGQPCZJF-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(C#N)cc1F ZINC000610487407 357952242 /nfs/dbraw/zinc/95/22/42/357952242.db2.gz KKNMBOKGQPCZJF-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO CC[N@@H+](CC#N)CCCCC1CCOCC1 ZINC000304127021 134236559 /nfs/dbraw/zinc/23/65/59/134236559.db2.gz NTJNUFJBJWXUSN-UHFFFAOYSA-N 1 2 224.348 2.429 20 30 BEEDLO CC[N@H+](CC#N)CCCCC1CCOCC1 ZINC000304127021 134236560 /nfs/dbraw/zinc/23/65/60/134236560.db2.gz NTJNUFJBJWXUSN-UHFFFAOYSA-N 1 2 224.348 2.429 20 30 BEEDLO N#Cc1ccc(C[NH2+]Cc2cscn2)c(F)c1 ZINC000237710332 358001911 /nfs/dbraw/zinc/00/19/11/358001911.db2.gz NTLNTATZYLQHIO-UHFFFAOYSA-N 1 2 247.298 2.444 20 30 BEEDLO N#CCCCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000584789464 358178752 /nfs/dbraw/zinc/17/87/52/358178752.db2.gz XKCMJIXKMWPOHB-UHFFFAOYSA-N 1 2 243.310 2.135 20 30 BEEDLO N#CCCCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000584789464 358178755 /nfs/dbraw/zinc/17/87/55/358178755.db2.gz XKCMJIXKMWPOHB-UHFFFAOYSA-N 1 2 243.310 2.135 20 30 BEEDLO C=CC(C)(C)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000450730850 202249723 /nfs/dbraw/zinc/24/97/23/202249723.db2.gz WCCALWGRTOEUFG-UHFFFAOYSA-N 1 2 230.315 2.312 20 30 BEEDLO CCN(Cc1cn2ccccc2[nH+]1)C[C@H](C)C#N ZINC000042323729 358521733 /nfs/dbraw/zinc/52/17/33/358521733.db2.gz MHALJNIONHIURJ-GFCCVEGCSA-N 1 2 242.326 2.316 20 30 BEEDLO COCC#CC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640155088 358438378 /nfs/dbraw/zinc/43/83/78/358438378.db2.gz QKMRXYBAYRPWAQ-CYBMUJFWSA-N 1 2 239.265 2.076 20 30 BEEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000129191722 358584050 /nfs/dbraw/zinc/58/40/50/358584050.db2.gz WMRAOIQPEDWSAJ-NSHDSACASA-N 1 2 243.310 2.301 20 30 BEEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000129191722 358584053 /nfs/dbraw/zinc/58/40/53/358584053.db2.gz WMRAOIQPEDWSAJ-NSHDSACASA-N 1 2 243.310 2.301 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000611091668 358646739 /nfs/dbraw/zinc/64/67/39/358646739.db2.gz SEBUOMGKIFDLAW-LLVKDONJSA-N 1 2 240.310 2.077 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000611091668 358646743 /nfs/dbraw/zinc/64/67/43/358646743.db2.gz SEBUOMGKIFDLAW-LLVKDONJSA-N 1 2 240.310 2.077 20 30 BEEDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C#N)cc1 ZINC000049236092 358677200 /nfs/dbraw/zinc/67/72/00/358677200.db2.gz WSGZCMJHKQCEDW-NSHDSACASA-N 1 2 226.283 2.255 20 30 BEEDLO N#CCCC[NH+]1CCN(Cc2cccs2)CC1 ZINC000050274250 358719705 /nfs/dbraw/zinc/71/97/05/358719705.db2.gz VCAARLSDFDLCSQ-UHFFFAOYSA-N 1 2 249.383 2.169 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1[nH]nc2ccccc21 ZINC000611268607 359284142 /nfs/dbraw/zinc/28/41/42/359284142.db2.gz RKFMKKNVUVWQHT-JTQLQIEISA-N 1 2 228.299 2.297 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC000611268607 359284148 /nfs/dbraw/zinc/28/41/48/359284148.db2.gz RKFMKKNVUVWQHT-JTQLQIEISA-N 1 2 228.299 2.297 20 30 BEEDLO C=CC[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000628493720 359669315 /nfs/dbraw/zinc/66/93/15/359669315.db2.gz VUXHKVSLKJVTOG-CHWSQXEVSA-N 1 2 247.342 2.259 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161991 359713089 /nfs/dbraw/zinc/71/30/89/359713089.db2.gz ISVSJNJBBLFBFR-AWEZNQCLSA-N 1 2 246.358 2.163 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161991 359713095 /nfs/dbraw/zinc/71/30/95/359713095.db2.gz ISVSJNJBBLFBFR-AWEZNQCLSA-N 1 2 246.358 2.163 20 30 BEEDLO C[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@H](C)[C@H](C)O1 ZINC000450823775 202275388 /nfs/dbraw/zinc/27/53/88/202275388.db2.gz DDKRDACWKIJFMG-UTUOFQBUSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@@H]1C[N@@H+](CC2(C#N)CCC2)[C@H](C)[C@H](C)O1 ZINC000450823775 202275389 /nfs/dbraw/zinc/27/53/89/202275389.db2.gz DDKRDACWKIJFMG-UTUOFQBUSA-N 1 2 222.332 2.178 20 30 BEEDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)nc1 ZINC000612165936 359721344 /nfs/dbraw/zinc/72/13/44/359721344.db2.gz PBIBOKAKTUPFCU-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)nc1 ZINC000612165936 359721349 /nfs/dbraw/zinc/72/13/49/359721349.db2.gz PBIBOKAKTUPFCU-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO Cc1ccc(O)c(C[N@@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000612406535 359833225 /nfs/dbraw/zinc/83/32/25/359833225.db2.gz PCMROPATSWQEEJ-AWEZNQCLSA-N 1 2 245.326 2.221 20 30 BEEDLO Cc1ccc(O)c(C[N@H+]2CCC[C@@](C)(C#N)C2)n1 ZINC000612406535 359833227 /nfs/dbraw/zinc/83/32/27/359833227.db2.gz PCMROPATSWQEEJ-AWEZNQCLSA-N 1 2 245.326 2.221 20 30 BEEDLO CCCn1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000612406904 359834588 /nfs/dbraw/zinc/83/45/88/359834588.db2.gz WUJVULFXQFSCPW-CQSZACIVSA-N 1 2 246.358 2.419 20 30 BEEDLO CCCn1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000612406904 359834592 /nfs/dbraw/zinc/83/45/92/359834592.db2.gz WUJVULFXQFSCPW-CQSZACIVSA-N 1 2 246.358 2.419 20 30 BEEDLO C=C[C@H](C)[NH2+]Cc1n[nH]c2ccccc21 ZINC000309099351 491144800 /nfs/dbraw/zinc/14/48/00/491144800.db2.gz FADHCPFVBNCZML-VIFPVBQESA-N 1 2 201.273 2.227 20 30 BEEDLO C=C[C@@H](C)[NH2+]Cc1n[nH]c2ccccc21 ZINC000309099349 491144816 /nfs/dbraw/zinc/14/48/16/491144816.db2.gz FADHCPFVBNCZML-SECBINFHSA-N 1 2 201.273 2.227 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000612584601 359897373 /nfs/dbraw/zinc/89/73/73/359897373.db2.gz RSKXBTITATUIKZ-MRVPVSSYSA-N 1 2 237.234 2.126 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000578656447 366621832 /nfs/dbraw/zinc/62/18/32/366621832.db2.gz WVZAAMWSPQFNJT-OLZOCXBDSA-N 1 2 247.342 2.401 20 30 BEEDLO C#CC[N@@H+](C)CC(=O)N[C@H](C)CCCCCC ZINC000491407756 259508960 /nfs/dbraw/zinc/50/89/60/259508960.db2.gz SOYVBWMSOYECCI-CYBMUJFWSA-N 1 2 238.375 2.027 20 30 BEEDLO C#CC[N@H+](C)CC(=O)N[C@H](C)CCCCCC ZINC000491407756 259508962 /nfs/dbraw/zinc/50/89/62/259508962.db2.gz SOYVBWMSOYECCI-CYBMUJFWSA-N 1 2 238.375 2.027 20 30 BEEDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000036326356 360905614 /nfs/dbraw/zinc/90/56/14/360905614.db2.gz CNIWQFSZGHGMKU-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000036326356 360905616 /nfs/dbraw/zinc/90/56/16/360905616.db2.gz CNIWQFSZGHGMKU-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO C=CCN(C)c1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631214868 361151568 /nfs/dbraw/zinc/15/15/68/361151568.db2.gz BQKXVSJIXYNPGB-UHFFFAOYSA-N 1 2 228.299 2.458 20 30 BEEDLO N#CCC1(O)C[NH+](CCCC2CCCCC2)C1 ZINC000428281336 201003940 /nfs/dbraw/zinc/00/39/40/201003940.db2.gz RNQJWMVHIYRRPU-UHFFFAOYSA-N 1 2 236.359 2.307 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCOCCC(C)C ZINC000428873117 201048592 /nfs/dbraw/zinc/04/85/92/201048592.db2.gz RSCZRPSGFPQIJP-UHFFFAOYSA-N 1 2 224.348 2.451 20 30 BEEDLO C=CC[N@H+](CCC#N)CCOCCC(C)C ZINC000428873117 201048595 /nfs/dbraw/zinc/04/85/95/201048595.db2.gz RSCZRPSGFPQIJP-UHFFFAOYSA-N 1 2 224.348 2.451 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1cccc2c[nH]nc21 ZINC000430093197 201141761 /nfs/dbraw/zinc/14/17/61/201141761.db2.gz FPUOIDLWJFBTJZ-UHFFFAOYSA-N 1 2 240.310 2.465 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1cccc2c[nH]nc21 ZINC000430093197 201141765 /nfs/dbraw/zinc/14/17/65/201141765.db2.gz FPUOIDLWJFBTJZ-UHFFFAOYSA-N 1 2 240.310 2.465 20 30 BEEDLO Cc1cncc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433318529 201180992 /nfs/dbraw/zinc/18/09/92/201180992.db2.gz LOVFLPBCYIABOB-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO Cc1cncc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000433318529 201180996 /nfs/dbraw/zinc/18/09/96/201180996.db2.gz LOVFLPBCYIABOB-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncnn1C(C)C ZINC000434502668 201223479 /nfs/dbraw/zinc/22/34/79/201223479.db2.gz FIPZDKCXTWVWIQ-LBPRGKRZSA-N 1 2 234.347 2.400 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncnn1C(C)C ZINC000434502668 201223480 /nfs/dbraw/zinc/22/34/80/201223480.db2.gz FIPZDKCXTWVWIQ-LBPRGKRZSA-N 1 2 234.347 2.400 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000434984371 201248779 /nfs/dbraw/zinc/24/87/79/201248779.db2.gz WZRQWASOGNKNFB-JTQLQIEISA-N 1 2 244.298 2.452 20 30 BEEDLO C=CC[N@@H+](Cc1cc(C(C)=O)no1)C1CC1 ZINC000579489069 366829405 /nfs/dbraw/zinc/82/94/05/366829405.db2.gz HLCFOJCYQDTNOX-UHFFFAOYSA-N 1 2 220.272 2.028 20 30 BEEDLO C=CC[N@H+](Cc1cc(C(C)=O)no1)C1CC1 ZINC000579489069 366829409 /nfs/dbraw/zinc/82/94/09/366829409.db2.gz HLCFOJCYQDTNOX-UHFFFAOYSA-N 1 2 220.272 2.028 20 30 BEEDLO COC(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433007823 192974382 /nfs/dbraw/zinc/97/43/82/192974382.db2.gz BCVWAWGUAAFNQN-ZDUSSCGKSA-N 1 2 246.310 2.184 20 30 BEEDLO COc1cccc(OCC[N@H+](C)C[C@@H](C)C#N)c1 ZINC000443626334 193025877 /nfs/dbraw/zinc/02/58/77/193025877.db2.gz VQUMNXWCOSRRKR-LBPRGKRZSA-N 1 2 248.326 2.165 20 30 BEEDLO COc1cccc(OCC[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000443626334 193025879 /nfs/dbraw/zinc/02/58/79/193025879.db2.gz VQUMNXWCOSRRKR-LBPRGKRZSA-N 1 2 248.326 2.165 20 30 BEEDLO Cn1cc(CNc2cc[nH+]cc2F)cc1C#N ZINC000192150798 365276443 /nfs/dbraw/zinc/27/64/43/365276443.db2.gz GZGQEIBIJRYXOX-UHFFFAOYSA-N 1 2 230.246 2.043 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000576050917 365465054 /nfs/dbraw/zinc/46/50/54/365465054.db2.gz WCSPJGWXGLBRBJ-RYUDHWBXSA-N 1 2 245.326 2.295 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(n1)CCC2 ZINC000575967424 365428726 /nfs/dbraw/zinc/42/87/26/365428726.db2.gz UDOSKGGBUMOHDV-NSHDSACASA-N 1 2 229.327 2.162 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000575967424 365428729 /nfs/dbraw/zinc/42/87/29/365428729.db2.gz UDOSKGGBUMOHDV-NSHDSACASA-N 1 2 229.327 2.162 20 30 BEEDLO C=C(C)CC[NH2+]c1ccc(-n2cnnn2)c(C)c1 ZINC000579642444 366922757 /nfs/dbraw/zinc/92/27/57/366922757.db2.gz JKZCVGINSDNKHE-UHFFFAOYSA-N 1 2 243.314 2.349 20 30 BEEDLO CCn1c[nH+]cc1CN(CCC#N)C(C)C ZINC000579814842 367018259 /nfs/dbraw/zinc/01/82/59/367018259.db2.gz KXEIUNKZTUXGQG-UHFFFAOYSA-N 1 2 220.320 2.027 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cc(F)c(F)cc1F ZINC000183817417 367048360 /nfs/dbraw/zinc/04/83/60/367048360.db2.gz MCZAXCFBPWTDGU-SSDOTTSWSA-N 1 2 228.217 2.353 20 30 BEEDLO CC(=O)Nc1cccc(C[NH2+][C@@H](C)CC#N)c1 ZINC000068609136 370819572 /nfs/dbraw/zinc/81/95/72/370819572.db2.gz SNZHTSRROAHJLQ-JTQLQIEISA-N 1 2 231.299 2.037 20 30 BEEDLO CC(C)(C#N)CCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000615820919 368446474 /nfs/dbraw/zinc/44/64/74/368446474.db2.gz DUSLSCCEAMVRGH-JTQLQIEISA-N 1 2 246.301 2.018 20 30 BEEDLO CC(C)(C#N)CCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000615820919 368446478 /nfs/dbraw/zinc/44/64/78/368446478.db2.gz DUSLSCCEAMVRGH-JTQLQIEISA-N 1 2 246.301 2.018 20 30 BEEDLO C=CC(C)(C)CNC(=O)Nc1cc[nH+]cc1C ZINC000455032850 202862406 /nfs/dbraw/zinc/86/24/06/202862406.db2.gz JXDKOIXQCAIPBK-UHFFFAOYSA-N 1 2 233.315 2.146 20 30 BEEDLO CC[N@H+](CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000058013884 368505959 /nfs/dbraw/zinc/50/59/59/368505959.db2.gz AMLXKISBOBLVHD-GFCCVEGCSA-N 1 2 246.310 2.062 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000058013884 368505961 /nfs/dbraw/zinc/50/59/61/368505961.db2.gz AMLXKISBOBLVHD-GFCCVEGCSA-N 1 2 246.310 2.062 20 30 BEEDLO C[N@H+](CCC(F)(F)F)C[C@H](C#N)CCC#N ZINC000066484185 368649793 /nfs/dbraw/zinc/64/97/93/368649793.db2.gz SAFFYOXWVXDMQM-VIFPVBQESA-N 1 2 233.237 2.314 20 30 BEEDLO C[N@@H+](CCC(F)(F)F)C[C@H](C#N)CCC#N ZINC000066484185 368649796 /nfs/dbraw/zinc/64/97/96/368649796.db2.gz SAFFYOXWVXDMQM-VIFPVBQESA-N 1 2 233.237 2.314 20 30 BEEDLO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccn[nH]1 ZINC000618742158 369207628 /nfs/dbraw/zinc/20/76/28/369207628.db2.gz RZTKKFHGFYUOFT-CQSZACIVSA-N 1 2 238.294 2.058 20 30 BEEDLO C[N@H+](Cc1cncs1)[C@H]1CCC[C@H]1C#N ZINC000400112239 369343507 /nfs/dbraw/zinc/34/35/07/369343507.db2.gz QLPYNRBRYGDYDY-ONGXEEELSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1cncs1)[C@H]1CCC[C@H]1C#N ZINC000400112239 369343512 /nfs/dbraw/zinc/34/35/12/369343512.db2.gz QLPYNRBRYGDYDY-ONGXEEELSA-N 1 2 221.329 2.267 20 30 BEEDLO C=CCCCCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619513741 369456032 /nfs/dbraw/zinc/45/60/32/369456032.db2.gz VYHITZNWYQKCJF-RYUDHWBXSA-N 1 2 243.322 2.318 20 30 BEEDLO C=CCCCCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC000619513741 369456039 /nfs/dbraw/zinc/45/60/39/369456039.db2.gz VYHITZNWYQKCJF-RYUDHWBXSA-N 1 2 243.322 2.318 20 30 BEEDLO Cc1c[nH]c(CN2Cc3ccc(C#N)cc3C2)[nH+]1 ZINC000600176583 369511228 /nfs/dbraw/zinc/51/12/28/369511228.db2.gz MLVOUBUFOUSTAI-UHFFFAOYSA-N 1 2 238.294 2.106 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](CC)CCc1ccccc1 ZINC000619716295 369546087 /nfs/dbraw/zinc/54/60/87/369546087.db2.gz HYXORALTXZERRL-AWEZNQCLSA-N 1 2 247.338 2.279 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](CC)CCc1ccccc1 ZINC000619716295 369546090 /nfs/dbraw/zinc/54/60/90/369546090.db2.gz HYXORALTXZERRL-AWEZNQCLSA-N 1 2 247.338 2.279 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(CC)cc1 ZINC000619716682 369546250 /nfs/dbraw/zinc/54/62/50/369546250.db2.gz UVIUZNYXWZTQBC-CQSZACIVSA-N 1 2 247.338 2.408 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccc(CC)cc1 ZINC000619716682 369546253 /nfs/dbraw/zinc/54/62/53/369546253.db2.gz UVIUZNYXWZTQBC-CQSZACIVSA-N 1 2 247.338 2.408 20 30 BEEDLO N#Cc1ccc(C[NH2+]Cc2cocn2)cc1Cl ZINC000619748543 369570761 /nfs/dbraw/zinc/57/07/61/369570761.db2.gz NTKWOLUIKWTOOH-UHFFFAOYSA-N 1 2 247.685 2.489 20 30 BEEDLO Cc1cc(N[C@@H]2CCCC23CC3)c(C#N)c[nH+]1 ZINC000601209819 369605257 /nfs/dbraw/zinc/60/52/57/369605257.db2.gz LTMZWPIBOVCHAV-CYBMUJFWSA-N 1 2 227.311 2.428 20 30 BEEDLO Cc1csc(C[NH2+]Cc2cccc(C#N)n2)n1 ZINC000602512257 369802596 /nfs/dbraw/zinc/80/25/96/369802596.db2.gz WXDSITKWEAJBBM-UHFFFAOYSA-N 1 2 244.323 2.008 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C[C@@H]1F ZINC000602599173 369823474 /nfs/dbraw/zinc/82/34/74/369823474.db2.gz FSSDCOAWPGEJAD-MFKMUULPSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C[C@@H]1F ZINC000602599173 369823477 /nfs/dbraw/zinc/82/34/77/369823477.db2.gz FSSDCOAWPGEJAD-MFKMUULPSA-N 1 2 233.290 2.133 20 30 BEEDLO CC1C[NH+](Cc2cccc(F)c2C#N)C1 ZINC000602637913 369831676 /nfs/dbraw/zinc/83/16/76/369831676.db2.gz JHTOBJJAMGFZHW-UHFFFAOYSA-N 1 2 204.248 2.149 20 30 BEEDLO N#Cc1cccc2c1C[N@H+](CCC[C@H]1CCO1)C2 ZINC000602706960 369846258 /nfs/dbraw/zinc/84/62/58/369846258.db2.gz RFDSFOKERWGLSK-AWEZNQCLSA-N 1 2 242.322 2.443 20 30 BEEDLO N#Cc1cccc2c1C[N@@H+](CCC[C@H]1CCO1)C2 ZINC000602706960 369846261 /nfs/dbraw/zinc/84/62/61/369846261.db2.gz RFDSFOKERWGLSK-AWEZNQCLSA-N 1 2 242.322 2.443 20 30 BEEDLO CC1(F)CC[NH+](Cc2ccncc2C#N)CC1 ZINC000602993169 369867766 /nfs/dbraw/zinc/86/77/66/369867766.db2.gz SBLSINPYWXBOTA-UHFFFAOYSA-N 1 2 233.290 2.277 20 30 BEEDLO C=C(C)CC[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000205978327 370058673 /nfs/dbraw/zinc/05/86/73/370058673.db2.gz YHTAKINXLQVYPF-AWEZNQCLSA-N 1 2 247.338 2.327 20 30 BEEDLO C=C(C)CC[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000205978344 370058710 /nfs/dbraw/zinc/05/87/10/370058710.db2.gz YHTAKINXLQVYPF-CQSZACIVSA-N 1 2 247.338 2.327 20 30 BEEDLO C=C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)C(=O)OC ZINC000310696830 370361795 /nfs/dbraw/zinc/36/17/95/370361795.db2.gz VNCMZDSBEMNDFP-GXTWGEPZSA-N 1 2 247.338 2.497 20 30 BEEDLO C=C(C)CN(C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000621459743 370363015 /nfs/dbraw/zinc/36/30/15/370363015.db2.gz NDXLLIUTFWAPBX-QWRGUYRKSA-N 1 2 248.330 2.106 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1oc(C)nc1C ZINC000311853471 370441443 /nfs/dbraw/zinc/44/14/43/370441443.db2.gz PZXKFVIAMRLNTK-SNVBAGLBSA-N 1 2 207.277 2.073 20 30 BEEDLO C=CCCC[C@@H](C)[NH2+][C@H](C=C)C(=O)OC ZINC000389965201 371183910 /nfs/dbraw/zinc/18/39/10/371183910.db2.gz XGLSAHLEMMIRSE-GHMZBOCLSA-N 1 2 211.305 2.048 20 30 BEEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1)C(F)F ZINC000228505109 372038686 /nfs/dbraw/zinc/03/86/86/372038686.db2.gz RVYSFGFBWUEEKV-QMMMGPOBSA-N 1 2 210.227 2.301 20 30 BEEDLO N#CCC1(O)C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC000459497912 206131587 /nfs/dbraw/zinc/13/15/87/206131587.db2.gz KQCUBQUCGJYRAZ-UHFFFAOYSA-N 1 2 242.322 2.024 20 30 BEEDLO C[C@]1(F)CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000565901128 383906683 /nfs/dbraw/zinc/90/66/83/383906683.db2.gz YGKWOZKKHXENLJ-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000565901128 383906688 /nfs/dbraw/zinc/90/66/88/383906688.db2.gz YGKWOZKKHXENLJ-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](F)C2)c1 ZINC000334820529 383960341 /nfs/dbraw/zinc/96/03/41/383960341.db2.gz ZFHCCSKYCXVKPN-NSHDSACASA-N 1 2 222.238 2.241 20 30 BEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000334820529 383960351 /nfs/dbraw/zinc/96/03/51/383960351.db2.gz ZFHCCSKYCXVKPN-NSHDSACASA-N 1 2 222.238 2.241 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](CCO)c1ccco1 ZINC000299374494 384197615 /nfs/dbraw/zinc/19/76/15/384197615.db2.gz QKSUJNRQRBVAEL-SECBINFHSA-N 1 2 215.680 2.045 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](CCO)c1ccco1 ZINC000299374499 384198478 /nfs/dbraw/zinc/19/84/78/384198478.db2.gz QKSUJNRQRBVAEL-VIFPVBQESA-N 1 2 215.680 2.045 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc2c1OCO2 ZINC000093090610 384209158 /nfs/dbraw/zinc/20/91/58/384209158.db2.gz JUWUAMYMSUVZNH-JTQLQIEISA-N 1 2 232.283 2.149 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc2c1OCO2 ZINC000093090610 384209166 /nfs/dbraw/zinc/20/91/66/384209166.db2.gz JUWUAMYMSUVZNH-JTQLQIEISA-N 1 2 232.283 2.149 20 30 BEEDLO COCc1ccc(C[N@H+](C)[C@@H](C)CC#N)o1 ZINC000093090439 384211403 /nfs/dbraw/zinc/21/14/03/384211403.db2.gz CUDVHHOEETXZKR-JTQLQIEISA-N 1 2 222.288 2.160 20 30 BEEDLO COCc1ccc(C[N@@H+](C)[C@@H](C)CC#N)o1 ZINC000093090439 384211409 /nfs/dbraw/zinc/21/14/09/384211409.db2.gz CUDVHHOEETXZKR-JTQLQIEISA-N 1 2 222.288 2.160 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccon1 ZINC000336781606 384277369 /nfs/dbraw/zinc/27/73/69/384277369.db2.gz VDAGOLVGVWYEBI-MRVPVSSYSA-N 1 2 233.296 2.459 20 30 BEEDLO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccon1 ZINC000336781607 384277674 /nfs/dbraw/zinc/27/76/74/384277674.db2.gz VDAGOLVGVWYEBI-QMMMGPOBSA-N 1 2 233.296 2.459 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CCC2)o1 ZINC000335444076 384289788 /nfs/dbraw/zinc/28/97/88/384289788.db2.gz RPBFCQKPLIVBFZ-AWEZNQCLSA-N 1 2 246.310 2.152 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)o1 ZINC000335444076 384289805 /nfs/dbraw/zinc/28/98/05/384289805.db2.gz RPBFCQKPLIVBFZ-AWEZNQCLSA-N 1 2 246.310 2.152 20 30 BEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC2(CCC2)O1 ZINC000335450372 384291802 /nfs/dbraw/zinc/29/18/02/384291802.db2.gz VUMPCYGXLJSEIA-NSHDSACASA-N 1 2 246.310 2.295 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CC2(CCC2)O1 ZINC000335450372 384291808 /nfs/dbraw/zinc/29/18/08/384291808.db2.gz VUMPCYGXLJSEIA-NSHDSACASA-N 1 2 246.310 2.295 20 30 BEEDLO Cc1cc(N2CCS[C@H](C)C2)c(C#N)c[nH+]1 ZINC000335508734 384295659 /nfs/dbraw/zinc/29/56/59/384295659.db2.gz ASQCRQFCLCNKSR-SNVBAGLBSA-N 1 2 233.340 2.203 20 30 BEEDLO Cc1cc(N2CCSC[C@H](C)C2)c(C#N)c[nH+]1 ZINC000335510897 384296024 /nfs/dbraw/zinc/29/60/24/384296024.db2.gz MBTPRPIOBYKYDF-SNVBAGLBSA-N 1 2 247.367 2.451 20 30 BEEDLO CCc1nc(C[NH2+]Cc2ccc(C#N)o2)cs1 ZINC000174370237 384325057 /nfs/dbraw/zinc/32/50/57/384325057.db2.gz JUHIOVDLLFMGDM-UHFFFAOYSA-N 1 2 247.323 2.460 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1ccccn1 ZINC000035694757 384419629 /nfs/dbraw/zinc/41/96/29/384419629.db2.gz APNNPBYMOYQNHZ-QWRGUYRKSA-N 1 2 203.289 2.424 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C#N)s1 ZINC000490898740 384472454 /nfs/dbraw/zinc/47/24/54/384472454.db2.gz LRQQKJKRBBLUEL-UHFFFAOYSA-N 1 2 228.320 2.078 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(C#N)s1 ZINC000490898740 384472461 /nfs/dbraw/zinc/47/24/61/384472461.db2.gz LRQQKJKRBBLUEL-UHFFFAOYSA-N 1 2 228.320 2.078 20 30 BEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCCC#N ZINC000148952084 384549140 /nfs/dbraw/zinc/54/91/40/384549140.db2.gz GGHFUWWADWLING-NSHDSACASA-N 1 2 238.331 2.096 20 30 BEEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCCC#N ZINC000148952084 384549146 /nfs/dbraw/zinc/54/91/46/384549146.db2.gz GGHFUWWADWLING-NSHDSACASA-N 1 2 238.331 2.096 20 30 BEEDLO N#CC[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173980842 384739178 /nfs/dbraw/zinc/73/91/78/384739178.db2.gz TXRSRFGHGLZZBB-AWEZNQCLSA-N 1 2 230.311 2.049 20 30 BEEDLO N#CC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173980842 384739184 /nfs/dbraw/zinc/73/91/84/384739184.db2.gz TXRSRFGHGLZZBB-AWEZNQCLSA-N 1 2 230.311 2.049 20 30 BEEDLO CC(C)OC(=O)[C@H](C)C/[NH+]=C/c1ccccc1O ZINC000173989717 384741967 /nfs/dbraw/zinc/74/19/67/384741967.db2.gz UJVKSWXFQGHLRB-BTAWCLGRSA-N 1 2 249.310 2.399 20 30 BEEDLO CC#CCC[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000155730397 384754749 /nfs/dbraw/zinc/75/47/49/384754749.db2.gz SOCLZCDBHOFGMG-ZDUSSCGKSA-N 1 2 233.311 2.375 20 30 BEEDLO CC#CCC[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000155730397 384754755 /nfs/dbraw/zinc/75/47/55/384754755.db2.gz SOCLZCDBHOFGMG-ZDUSSCGKSA-N 1 2 233.311 2.375 20 30 BEEDLO CC[N@@H+](Cc1ccncc1)C[C@@H](C)C#N ZINC000042209943 384767727 /nfs/dbraw/zinc/76/77/27/384767727.db2.gz ZGGDOZZIRLRETA-NSHDSACASA-N 1 2 203.289 2.063 20 30 BEEDLO CC[N@H+](Cc1ccncc1)C[C@@H](C)C#N ZINC000042209943 384767737 /nfs/dbraw/zinc/76/77/37/384767737.db2.gz ZGGDOZZIRLRETA-NSHDSACASA-N 1 2 203.289 2.063 20 30 BEEDLO Cc1csc(C[NH2+]Cc2ccc(C#N)o2)n1 ZINC000135481657 384828354 /nfs/dbraw/zinc/82/83/54/384828354.db2.gz SIBJUUBZRGDZKW-UHFFFAOYSA-N 1 2 233.296 2.206 20 30 BEEDLO Cc1c[nH+]ccc1NC(=O)C1(C#N)CCC1 ZINC000083798289 384798128 /nfs/dbraw/zinc/79/81/28/384798128.db2.gz FBTGSRDUPDDEBW-UHFFFAOYSA-N 1 2 215.256 2.022 20 30 BEEDLO N#CC[N@@H+](Cc1ccc(CO)cc1)C1CCCC1 ZINC000163436983 384805226 /nfs/dbraw/zinc/80/52/26/384805226.db2.gz IKHSYKRRQLQEAM-UHFFFAOYSA-N 1 2 244.338 2.447 20 30 BEEDLO N#CC[N@H+](Cc1ccc(CO)cc1)C1CCCC1 ZINC000163436983 384805230 /nfs/dbraw/zinc/80/52/30/384805230.db2.gz IKHSYKRRQLQEAM-UHFFFAOYSA-N 1 2 244.338 2.447 20 30 BEEDLO N#Cc1ccc(CNc2cccc(CO)[nH+]2)cc1 ZINC000432745899 384865896 /nfs/dbraw/zinc/86/58/96/384865896.db2.gz XLNDXRHBMLAHAH-UHFFFAOYSA-N 1 2 239.278 2.058 20 30 BEEDLO CCOc1cccc(C[NH2+][C@H](CC)CC#N)n1 ZINC000358294385 384900932 /nfs/dbraw/zinc/90/09/32/384900932.db2.gz YHODEYVGFHUMQM-LLVKDONJSA-N 1 2 233.315 2.262 20 30 BEEDLO CCCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000085260916 384930327 /nfs/dbraw/zinc/93/03/27/384930327.db2.gz HKKQACWTCYFIDW-UHFFFAOYSA-N 1 2 227.333 2.083 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccccc1 ZINC000057846670 384968969 /nfs/dbraw/zinc/96/89/69/384968969.db2.gz YJKHTFRILXRZCS-GFCCVEGCSA-N 1 2 218.300 2.299 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccccc1 ZINC000057846670 384968976 /nfs/dbraw/zinc/96/89/76/384968976.db2.gz YJKHTFRILXRZCS-GFCCVEGCSA-N 1 2 218.300 2.299 20 30 BEEDLO CC1(C/[NH+]=C/c2ccc(O)c(O)c2O)CCC1 ZINC000175899688 384979241 /nfs/dbraw/zinc/97/92/41/384979241.db2.gz YOVGDAFZGRNCQQ-VGOFMYFVSA-N 1 2 235.283 2.413 20 30 BEEDLO CCC1(C/[NH+]=C/c2ccc(O)c(O)c2O)CC1 ZINC000175898375 384980186 /nfs/dbraw/zinc/98/01/86/384980186.db2.gz XFXWSQOPOHSEBP-VGOFMYFVSA-N 1 2 235.283 2.413 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(C#N)c1 ZINC000058575429 385013295 /nfs/dbraw/zinc/01/32/95/385013295.db2.gz CKVAJJOSOBXFDJ-LLVKDONJSA-N 1 2 213.284 2.292 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000058575429 385013303 /nfs/dbraw/zinc/01/33/03/385013303.db2.gz CKVAJJOSOBXFDJ-LLVKDONJSA-N 1 2 213.284 2.292 20 30 BEEDLO C=CC[NH+](CC=C)CC(=O)c1cc(C)n(C)c1C ZINC000530778629 385057989 /nfs/dbraw/zinc/05/79/89/385057989.db2.gz LMZZSAQJHFEYMF-UHFFFAOYSA-N 1 2 246.354 2.499 20 30 BEEDLO C#C[C@H](CCC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000491192457 385074649 /nfs/dbraw/zinc/07/46/49/385074649.db2.gz ONPOTEVYEYORSP-GFCCVEGCSA-N 1 2 245.326 2.044 20 30 BEEDLO N#CCC[N@@H+](CCCF)Cc1ccccn1 ZINC000151449015 385110820 /nfs/dbraw/zinc/11/08/20/385110820.db2.gz WQEBWGZRNLLLQO-UHFFFAOYSA-N 1 2 221.279 2.157 20 30 BEEDLO N#CCC[N@H+](CCCF)Cc1ccccn1 ZINC000151449015 385110823 /nfs/dbraw/zinc/11/08/23/385110823.db2.gz WQEBWGZRNLLLQO-UHFFFAOYSA-N 1 2 221.279 2.157 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)CCC(=O)c1ccccc1 ZINC000165474515 385133791 /nfs/dbraw/zinc/13/37/91/385133791.db2.gz LDLLXOAMPSNQNX-GFCCVEGCSA-N 1 2 230.311 2.351 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)CCC(=O)c1ccccc1 ZINC000165474515 385133797 /nfs/dbraw/zinc/13/37/97/385133797.db2.gz LDLLXOAMPSNQNX-GFCCVEGCSA-N 1 2 230.311 2.351 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)CCOc1cccc(F)c1 ZINC000064932131 385134147 /nfs/dbraw/zinc/13/41/47/385134147.db2.gz HZTFOKQSULJBQI-NSHDSACASA-N 1 2 236.290 2.438 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1cccc(F)c1 ZINC000064932131 385134158 /nfs/dbraw/zinc/13/41/58/385134158.db2.gz HZTFOKQSULJBQI-NSHDSACASA-N 1 2 236.290 2.438 20 30 BEEDLO Cc1c(C[N@@H+](CCC#N)CCC(C)C)cnn1C ZINC000151334878 385105301 /nfs/dbraw/zinc/10/53/01/385105301.db2.gz WSYHBTTWMZTQCK-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO Cc1c(C[N@H+](CCC#N)CCC(C)C)cnn1C ZINC000151334878 385105309 /nfs/dbraw/zinc/10/53/09/385105309.db2.gz WSYHBTTWMZTQCK-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000129619623 385169339 /nfs/dbraw/zinc/16/93/39/385169339.db2.gz NLOURGCKNJGXCL-NSHDSACASA-N 1 2 246.310 2.207 20 30 BEEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000129619623 385169343 /nfs/dbraw/zinc/16/93/43/385169343.db2.gz NLOURGCKNJGXCL-NSHDSACASA-N 1 2 246.310 2.207 20 30 BEEDLO Cc1cn[nH]c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000290343200 385174953 /nfs/dbraw/zinc/17/49/53/385174953.db2.gz DTHUWSHXQPFSOE-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cn[nH]c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000290343200 385174959 /nfs/dbraw/zinc/17/49/59/385174959.db2.gz DTHUWSHXQPFSOE-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1c[nH]nc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000290343200 385174964 /nfs/dbraw/zinc/17/49/64/385174964.db2.gz DTHUWSHXQPFSOE-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1c[nH]nc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000290343200 385174968 /nfs/dbraw/zinc/17/49/68/385174968.db2.gz DTHUWSHXQPFSOE-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1[nH+]c(C(C)C)ccc1Cn1cnc(C#N)n1 ZINC000338532785 385252399 /nfs/dbraw/zinc/25/23/99/385252399.db2.gz AFHYWMCQQVLERC-UHFFFAOYSA-N 1 2 241.298 2.025 20 30 BEEDLO C=C(C)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000157573997 385202944 /nfs/dbraw/zinc/20/29/44/385202944.db2.gz YIMVCRDDSQUABW-UHFFFAOYSA-N 1 2 219.288 2.396 20 30 BEEDLO C#C[C@@H](CC)Nc1cc[nH+]c(C2CC2)n1 ZINC000309223488 385269357 /nfs/dbraw/zinc/26/93/57/385269357.db2.gz VQSQLTCUHXWXNY-JTQLQIEISA-N 1 2 201.273 2.178 20 30 BEEDLO CC[N@@H+](Cc1ccc(C)cn1)C[C@@H](C)C#N ZINC000157748035 385274918 /nfs/dbraw/zinc/27/49/18/385274918.db2.gz OUDDYFNGFYQWNH-LBPRGKRZSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1ccc(C)cn1)C[C@@H](C)C#N ZINC000157748035 385274924 /nfs/dbraw/zinc/27/49/24/385274924.db2.gz OUDDYFNGFYQWNH-LBPRGKRZSA-N 1 2 217.316 2.372 20 30 BEEDLO CC(C)CO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000154521587 385335054 /nfs/dbraw/zinc/33/50/54/385335054.db2.gz BHGAQMBITMJSFZ-UHFFFAOYSA-N 1 2 228.242 2.258 20 30 BEEDLO Cc1csc([C@H](C)[NH2+]CC2(C#N)CC2)n1 ZINC000309019535 385373693 /nfs/dbraw/zinc/37/36/93/385373693.db2.gz WFRBQXFCXFRPAB-VIFPVBQESA-N 1 2 221.329 2.406 20 30 BEEDLO C[N@H+](CCc1nccs1)C[C@H](C#N)CCC#N ZINC000158032674 385325067 /nfs/dbraw/zinc/32/50/67/385325067.db2.gz AYERWCKOAXGOIP-NSHDSACASA-N 1 2 248.355 2.061 20 30 BEEDLO C[N@@H+](CCc1nccs1)C[C@H](C#N)CCC#N ZINC000158032674 385325068 /nfs/dbraw/zinc/32/50/68/385325068.db2.gz AYERWCKOAXGOIP-NSHDSACASA-N 1 2 248.355 2.061 20 30 BEEDLO C#CC[NH+](CC#C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000299282077 533120174 /nfs/dbraw/zinc/12/01/74/533120174.db2.gz NEFYPYMGBBHXBP-LBPRGKRZSA-N 1 2 242.278 2.224 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cncc(F)c1 ZINC000309219304 385485148 /nfs/dbraw/zinc/48/51/48/385485148.db2.gz UZJDVWMGQGXISU-LLVKDONJSA-N 1 2 207.252 2.003 20 30 BEEDLO CC(C)c1nnc(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000408158918 385576608 /nfs/dbraw/zinc/57/66/08/385576608.db2.gz NDBXVWNMSVSVHK-UHFFFAOYSA-N 1 2 248.330 2.319 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1ccc(Br)o1 ZINC000054179074 385597819 /nfs/dbraw/zinc/59/78/19/385597819.db2.gz YYLOCJQFSPJTOJ-SSDOTTSWSA-N 1 2 243.104 2.291 20 30 BEEDLO C#CCN(CC1CC1)c1cc[nH+]c(C(C)C)n1 ZINC000302065901 533133515 /nfs/dbraw/zinc/13/35/15/533133515.db2.gz SLVZRTSAKCUVPW-UHFFFAOYSA-N 1 2 229.327 2.450 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1cc(C)sc1C ZINC000491711307 385624911 /nfs/dbraw/zinc/62/49/11/385624911.db2.gz UGIUHCSKENJOCH-ZDUSSCGKSA-N 1 2 235.352 2.199 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1cc(C)sc1C ZINC000491711307 385624916 /nfs/dbraw/zinc/62/49/16/385624916.db2.gz UGIUHCSKENJOCH-ZDUSSCGKSA-N 1 2 235.352 2.199 20 30 BEEDLO N#CC1(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000595822314 385641130 /nfs/dbraw/zinc/64/11/30/385641130.db2.gz QOWHRRWMSZTRAF-UHFFFAOYSA-N 1 2 246.354 2.181 20 30 BEEDLO N#CC1(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000595822314 385641133 /nfs/dbraw/zinc/64/11/33/385641133.db2.gz QOWHRRWMSZTRAF-UHFFFAOYSA-N 1 2 246.354 2.181 20 30 BEEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1c(F)cccc1F ZINC000645225322 385690651 /nfs/dbraw/zinc/69/06/51/385690651.db2.gz MGNODPLSUSLURZ-ZDUSSCGKSA-N 1 2 241.281 2.334 20 30 BEEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1c(F)cccc1F ZINC000645225322 385690655 /nfs/dbraw/zinc/69/06/55/385690655.db2.gz MGNODPLSUSLURZ-ZDUSSCGKSA-N 1 2 241.281 2.334 20 30 BEEDLO COCC#CC[N@H+](C)Cc1c(F)cccc1F ZINC000645227368 385691509 /nfs/dbraw/zinc/69/15/09/385691509.db2.gz HZWLZQJZDZIDLE-UHFFFAOYSA-N 1 2 239.265 2.046 20 30 BEEDLO COCC#CC[N@@H+](C)Cc1c(F)cccc1F ZINC000645227368 385691514 /nfs/dbraw/zinc/69/15/14/385691514.db2.gz HZWLZQJZDZIDLE-UHFFFAOYSA-N 1 2 239.265 2.046 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccccc1SC ZINC000491734097 385730735 /nfs/dbraw/zinc/73/07/35/385730735.db2.gz SHQIVHHGQRLDNR-CYBMUJFWSA-N 1 2 247.363 2.243 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccccc1SC ZINC000491734097 385730736 /nfs/dbraw/zinc/73/07/36/385730736.db2.gz SHQIVHHGQRLDNR-CYBMUJFWSA-N 1 2 247.363 2.243 20 30 BEEDLO CO[C@H](C)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000334454111 386103473 /nfs/dbraw/zinc/10/34/73/386103473.db2.gz UYFHXMJIFPPJLS-MNOVXSKESA-N 1 2 210.321 2.035 20 30 BEEDLO CO[C@H](C)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000334454111 386103477 /nfs/dbraw/zinc/10/34/77/386103477.db2.gz UYFHXMJIFPPJLS-MNOVXSKESA-N 1 2 210.321 2.035 20 30 BEEDLO Cc1cc(C[NH2+]C(CF)CF)ccc1C#N ZINC000449381798 386107481 /nfs/dbraw/zinc/10/74/81/386107481.db2.gz SUKYAGPEFTUDCP-UHFFFAOYSA-N 1 2 224.254 2.264 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc(O)cc(F)c1 ZINC000274624073 386132796 /nfs/dbraw/zinc/13/27/96/386132796.db2.gz XMQDMBLTFLVIEW-UHFFFAOYSA-N 1 2 222.263 2.267 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc(O)cc(F)c1 ZINC000274624073 386132799 /nfs/dbraw/zinc/13/27/99/386132799.db2.gz XMQDMBLTFLVIEW-UHFFFAOYSA-N 1 2 222.263 2.267 20 30 BEEDLO CC[C@@H](C)[C@H]([NH2+]CCC(C)(C)C#N)C(=O)OC ZINC000347188016 386255320 /nfs/dbraw/zinc/25/53/20/386255320.db2.gz DUEZMHATFBPBGR-MNOVXSKESA-N 1 2 240.347 2.104 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000181244102 386342202 /nfs/dbraw/zinc/34/22/02/386342202.db2.gz POOVRHYVFNVLNF-UHFFFAOYSA-N 1 2 213.712 2.081 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1ncc(Cl)n1C ZINC000181244102 386342204 /nfs/dbraw/zinc/34/22/04/386342204.db2.gz POOVRHYVFNVLNF-UHFFFAOYSA-N 1 2 213.712 2.081 20 30 BEEDLO CC#CC[N@H+]1CCCC[C@@H]1c1nccn1CC ZINC000280941448 386361360 /nfs/dbraw/zinc/36/13/60/386361360.db2.gz HVWMCHQEBRFUOU-CYBMUJFWSA-N 1 2 231.343 2.453 20 30 BEEDLO CC#CC[N@@H+]1CCCC[C@@H]1c1nccn1CC ZINC000280941448 386361363 /nfs/dbraw/zinc/36/13/63/386361363.db2.gz HVWMCHQEBRFUOU-CYBMUJFWSA-N 1 2 231.343 2.453 20 30 BEEDLO C=C(C)C[N@@H+](CC)CC(=O)OCC(C)C ZINC000181427809 386370302 /nfs/dbraw/zinc/37/03/02/386370302.db2.gz USUXAFXRPAURGD-UHFFFAOYSA-N 1 2 213.321 2.084 20 30 BEEDLO C=C(C)C[N@H+](CC)CC(=O)OCC(C)C ZINC000181427809 386370307 /nfs/dbraw/zinc/37/03/07/386370307.db2.gz USUXAFXRPAURGD-UHFFFAOYSA-N 1 2 213.321 2.084 20 30 BEEDLO CC(C)C[C@H]1COCC[N@@H+]1CC1(C#N)CC1 ZINC000347492936 386422352 /nfs/dbraw/zinc/42/23/52/386422352.db2.gz VZNFYCHBXCEFLK-LBPRGKRZSA-N 1 2 222.332 2.037 20 30 BEEDLO CC(C)C[C@H]1COCC[N@H+]1CC1(C#N)CC1 ZINC000347492936 386422360 /nfs/dbraw/zinc/42/23/60/386422360.db2.gz VZNFYCHBXCEFLK-LBPRGKRZSA-N 1 2 222.332 2.037 20 30 BEEDLO C=C(C)C(C)(C)C(=O)NCc1c[nH+]ccc1OC ZINC000424851231 386586369 /nfs/dbraw/zinc/58/63/69/386586369.db2.gz ROFOVUJRKZZPIK-UHFFFAOYSA-N 1 2 248.326 2.309 20 30 BEEDLO C=C(C)C(C)(C)C(=O)Nc1cc[nH+]cc1C ZINC000335500447 386628470 /nfs/dbraw/zinc/62/84/70/386628470.db2.gz OLYHGCMRHZUFCV-UHFFFAOYSA-N 1 2 218.300 2.353 20 30 BEEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[C@@H]1C1CC1 ZINC000328910301 386651277 /nfs/dbraw/zinc/65/12/77/386651277.db2.gz FMTJKHALWSYRTL-AXFHLTTASA-N 1 2 245.326 2.270 20 30 BEEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[C@@H]1C1CC1 ZINC000328910301 386651283 /nfs/dbraw/zinc/65/12/83/386651283.db2.gz FMTJKHALWSYRTL-AXFHLTTASA-N 1 2 245.326 2.270 20 30 BEEDLO CC#CC[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000124604126 386661970 /nfs/dbraw/zinc/66/19/70/386661970.db2.gz ODAGQLMGVOTADB-LLVKDONJSA-N 1 2 233.315 2.257 20 30 BEEDLO C=CC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000125116500 386751244 /nfs/dbraw/zinc/75/12/44/386751244.db2.gz WHLPLRMNOIIYNY-GFCCVEGCSA-N 1 2 219.284 2.019 20 30 BEEDLO C=CC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000125116500 386751249 /nfs/dbraw/zinc/75/12/49/386751249.db2.gz WHLPLRMNOIIYNY-GFCCVEGCSA-N 1 2 219.284 2.019 20 30 BEEDLO C#CCOc1ccccc1C[NH2+][C@H](CC)CC#N ZINC000054182880 533197773 /nfs/dbraw/zinc/19/77/73/533197773.db2.gz NCGZYSFFZPDJBS-CQSZACIVSA-N 1 2 242.322 2.480 20 30 BEEDLO C[C@H](CCCC#N)[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001172491039 974837347 /nfs/dbraw/zinc/83/73/47/974837347.db2.gz CCVJGAUNMKDNQN-GHMZBOCLSA-N 1 2 246.301 2.018 20 30 BEEDLO C[C@H](CCCC#N)[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001172491039 974837350 /nfs/dbraw/zinc/83/73/50/974837350.db2.gz CCVJGAUNMKDNQN-GHMZBOCLSA-N 1 2 246.301 2.018 20 30 BEEDLO CC[C@](C)(C#N)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334843999 386890563 /nfs/dbraw/zinc/89/05/63/386890563.db2.gz DSQZQIPNAYGJNE-CYBMUJFWSA-N 1 2 246.314 2.098 20 30 BEEDLO CC(C)=CCNc1cc(C)[nH+]cc1C#N ZINC000399519592 386954838 /nfs/dbraw/zinc/95/48/38/386954838.db2.gz OHIUOJVCLYBZTE-UHFFFAOYSA-N 1 2 201.273 2.062 20 30 BEEDLO Cc1cc(N(C)C[C@@H]2CCCOC2)c(C#N)c[nH+]1 ZINC000399518706 386955031 /nfs/dbraw/zinc/95/50/31/386955031.db2.gz NWARGVIOEKFNLN-LBPRGKRZSA-N 1 2 245.326 2.125 20 30 BEEDLO Cc1cc(NC(C2CC2)C2CC2)c(C#N)c[nH+]1 ZINC000399534889 386972004 /nfs/dbraw/zinc/97/20/04/386972004.db2.gz VXZSRBWQIFABSY-UHFFFAOYSA-N 1 2 227.311 2.284 20 30 BEEDLO Cc1ncsc1CNc1cc(C)[nH+]cc1C#N ZINC000399594794 387032678 /nfs/dbraw/zinc/03/26/78/387032678.db2.gz QUSWEPSGIVHXRS-UHFFFAOYSA-N 1 2 244.323 2.061 20 30 BEEDLO Cc1cc(NCCCC(F)(F)F)c(C#N)c[nH+]1 ZINC000399568053 387015539 /nfs/dbraw/zinc/01/55/39/387015539.db2.gz HPPOTTSTVQGBHL-UHFFFAOYSA-N 1 2 243.232 2.438 20 30 BEEDLO Cc1cc(NC[C@H]2CC=CCC2)c(C#N)c[nH+]1 ZINC000399451737 387108969 /nfs/dbraw/zinc/10/89/69/387108969.db2.gz ROPCCOUOPBDURM-LBPRGKRZSA-N 1 2 227.311 2.452 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccncc2F)CCC1 ZINC000418145254 387167145 /nfs/dbraw/zinc/16/71/45/387167145.db2.gz WVQYHTSHYYTPKX-UHFFFAOYSA-N 1 2 219.263 2.004 20 30 BEEDLO C=CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161368664 387204526 /nfs/dbraw/zinc/20/45/26/387204526.db2.gz FMESGCLOBBTRAD-UHFFFAOYSA-N 1 2 241.294 2.130 20 30 BEEDLO C=CCCOCCNc1cc[nH+]c(C2CC2)n1 ZINC000161536717 387241070 /nfs/dbraw/zinc/24/10/70/387241070.db2.gz NBFFSEUZQQIZIR-UHFFFAOYSA-N 1 2 233.315 2.359 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1cccc2c1OCCO2 ZINC000168926766 387370775 /nfs/dbraw/zinc/37/07/75/387370775.db2.gz ZVRPLTKZNDXWBT-UHFFFAOYSA-N 1 2 246.310 2.097 20 30 BEEDLO C=C[C@](C)(CC)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000276036652 387515158 /nfs/dbraw/zinc/51/51/58/387515158.db2.gz VHIWULHGDUTTTC-GXTWGEPZSA-N 1 2 249.358 2.238 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000276956976 387527772 /nfs/dbraw/zinc/52/77/72/387527772.db2.gz LPGCULKCZMVAEI-UHFFFAOYSA-N 1 2 218.687 2.277 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000276956976 387527779 /nfs/dbraw/zinc/52/77/79/387527779.db2.gz LPGCULKCZMVAEI-UHFFFAOYSA-N 1 2 218.687 2.277 20 30 BEEDLO CC(C)(C)c1ncc(C[NH2+]CC(C)(C)C#N)cn1 ZINC000336788482 387582107 /nfs/dbraw/zinc/58/21/07/387582107.db2.gz PJZWMQXXGOQAOT-UHFFFAOYSA-N 1 2 246.358 2.413 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1ncnn1CCC ZINC000279408532 387566274 /nfs/dbraw/zinc/56/62/74/387566274.db2.gz JEBWQYYEYRUBSL-UHFFFAOYSA-N 1 2 222.336 2.086 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1ncnn1CCC ZINC000279408532 387566277 /nfs/dbraw/zinc/56/62/77/387566277.db2.gz JEBWQYYEYRUBSL-UHFFFAOYSA-N 1 2 222.336 2.086 20 30 BEEDLO C[C@H](O)CCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444725522 387918046 /nfs/dbraw/zinc/91/80/46/387918046.db2.gz NJTCHVAIQPZKTE-NWDGAFQWSA-N 1 2 224.348 2.162 20 30 BEEDLO C[C@H](O)CCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444725522 387918048 /nfs/dbraw/zinc/91/80/48/387918048.db2.gz NJTCHVAIQPZKTE-NWDGAFQWSA-N 1 2 224.348 2.162 20 30 BEEDLO CC#CC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000173707052 387901437 /nfs/dbraw/zinc/90/14/37/387901437.db2.gz CVQAZUDBVXNTJQ-UHFFFAOYSA-N 1 2 245.326 2.329 20 30 BEEDLO C=C(CC)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000439454668 387997949 /nfs/dbraw/zinc/99/79/49/387997949.db2.gz OJOCQGLLINGWRQ-CYBMUJFWSA-N 1 2 242.326 2.450 20 30 BEEDLO CCn1cc[nH+]c1CN(CC#N)C1CCCC1 ZINC000156636654 388013328 /nfs/dbraw/zinc/01/33/28/388013328.db2.gz URQHEHNKPWLPCG-UHFFFAOYSA-N 1 2 232.331 2.171 20 30 BEEDLO C=CC[C@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420925993 388016597 /nfs/dbraw/zinc/01/65/97/388016597.db2.gz YYTAIFUQJOXUAH-JTQLQIEISA-N 1 2 247.342 2.462 20 30 BEEDLO COCC[N@H+](CC#N)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000453594015 388089159 /nfs/dbraw/zinc/08/91/59/388089159.db2.gz DJBXFGNMAULLRL-UONOGXRCSA-N 1 2 236.359 2.451 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000453594015 388089163 /nfs/dbraw/zinc/08/91/63/388089163.db2.gz DJBXFGNMAULLRL-UONOGXRCSA-N 1 2 236.359 2.451 20 30 BEEDLO C=Cn1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000447734513 388089493 /nfs/dbraw/zinc/08/94/93/388089493.db2.gz WPYAPBHFYDOSAB-LLVKDONJSA-N 1 2 230.315 2.108 20 30 BEEDLO C=Cn1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000447734513 388089495 /nfs/dbraw/zinc/08/94/95/388089495.db2.gz WPYAPBHFYDOSAB-LLVKDONJSA-N 1 2 230.315 2.108 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccncc1F ZINC000449242090 388160842 /nfs/dbraw/zinc/16/08/42/388160842.db2.gz DMFINRKHYKWONI-JTQLQIEISA-N 1 2 207.252 2.003 20 30 BEEDLO Cc1cc(C)c(NC(=O)NCCCC#N)c(C)[nH+]1 ZINC000455477651 388161526 /nfs/dbraw/zinc/16/15/26/388161526.db2.gz FNIGAXDCZAWYNO-UHFFFAOYSA-N 1 2 246.314 2.432 20 30 BEEDLO C=CC[C@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454513921 388121049 /nfs/dbraw/zinc/12/10/49/388121049.db2.gz BBBDNBVPMFPCHJ-NSHDSACASA-N 1 2 247.342 2.462 20 30 BEEDLO CC#CCCCC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456423808 388200025 /nfs/dbraw/zinc/20/00/25/388200025.db2.gz PEXKUWHUBQSYCR-NEPJUHHUSA-N 1 2 245.326 2.199 20 30 BEEDLO Cc1cc(C)c(CNC(=O)CC(C)(C)C#N)c[nH+]1 ZINC000456855160 388228440 /nfs/dbraw/zinc/22/84/40/388228440.db2.gz ZIUQRLVHMFDZAL-UHFFFAOYSA-N 1 2 245.326 2.255 20 30 BEEDLO C=CCOc1ccc(C[NH+]2CC(OCC)C2)cc1 ZINC000459576522 388246523 /nfs/dbraw/zinc/24/65/23/388246523.db2.gz DZEIFGVRINCXFP-UHFFFAOYSA-N 1 2 247.338 2.472 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc2ccccc2n1C ZINC000491441812 388295356 /nfs/dbraw/zinc/29/53/56/388295356.db2.gz YCCQHQSSMIUXTB-LLVKDONJSA-N 1 2 227.311 2.027 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000491441812 388295358 /nfs/dbraw/zinc/29/53/58/388295358.db2.gz YCCQHQSSMIUXTB-LLVKDONJSA-N 1 2 227.311 2.027 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1C/C=C\c1ccccc1 ZINC000491554762 388303585 /nfs/dbraw/zinc/30/35/85/388303585.db2.gz LWRHJDLBCQTSPB-WUKHSURWSA-N 1 2 227.307 2.034 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1C/C=C\c1ccccc1 ZINC000491554762 388303586 /nfs/dbraw/zinc/30/35/86/388303586.db2.gz LWRHJDLBCQTSPB-WUKHSURWSA-N 1 2 227.307 2.034 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(C)nc1Cl ZINC000491639402 388304751 /nfs/dbraw/zinc/30/47/51/388304751.db2.gz YZORHVCCHRDHIN-SNVBAGLBSA-N 1 2 222.719 2.497 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C)nc1Cl ZINC000491639402 388304752 /nfs/dbraw/zinc/30/47/52/388304752.db2.gz YZORHVCCHRDHIN-SNVBAGLBSA-N 1 2 222.719 2.497 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000491631147 388306726 /nfs/dbraw/zinc/30/67/26/388306726.db2.gz QAQHXUPCMFFXHF-SNVBAGLBSA-N 1 2 220.316 2.426 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000491631147 388306727 /nfs/dbraw/zinc/30/67/27/388306727.db2.gz QAQHXUPCMFFXHF-SNVBAGLBSA-N 1 2 220.316 2.426 20 30 BEEDLO C#CC[N@@H+](CC)[C@@H](CC)C(=O)OC(C)(C)C ZINC000491656865 388308574 /nfs/dbraw/zinc/30/85/74/388308574.db2.gz IYAUUKZOFMOCTH-NSHDSACASA-N 1 2 225.332 2.062 20 30 BEEDLO C#CC[N@H+](CC)[C@@H](CC)C(=O)OC(C)(C)C ZINC000491656865 388308575 /nfs/dbraw/zinc/30/85/75/388308575.db2.gz IYAUUKZOFMOCTH-NSHDSACASA-N 1 2 225.332 2.062 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ccc(C)nc1Cl ZINC000491700753 388312720 /nfs/dbraw/zinc/31/27/20/388312720.db2.gz FBUYGFMPZIVKEJ-UHFFFAOYSA-N 1 2 222.719 2.499 20 30 BEEDLO C#CC[N@H+](CC)Cc1ccc(C)nc1Cl ZINC000491700753 388312721 /nfs/dbraw/zinc/31/27/21/388312721.db2.gz FBUYGFMPZIVKEJ-UHFFFAOYSA-N 1 2 222.719 2.499 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000491711321 388313803 /nfs/dbraw/zinc/31/38/03/388313803.db2.gz WCGDEMJBPYXTLN-NEPJUHHUSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000491711321 388313804 /nfs/dbraw/zinc/31/38/04/388313804.db2.gz WCGDEMJBPYXTLN-NEPJUHHUSA-N 1 2 243.297 2.146 20 30 BEEDLO C#CC[N@H+](Cc1nc(C#N)cs1)C1CCCC1 ZINC000491713124 388314023 /nfs/dbraw/zinc/31/40/23/388314023.db2.gz BRBHAUWCAAHWFX-UHFFFAOYSA-N 1 2 245.351 2.393 20 30 BEEDLO C#CC[N@@H+](Cc1nc(C#N)cs1)C1CCCC1 ZINC000491713124 388314024 /nfs/dbraw/zinc/31/40/24/388314024.db2.gz BRBHAUWCAAHWFX-UHFFFAOYSA-N 1 2 245.351 2.393 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc([C@H](C)OC)n1 ZINC000491718957 388314481 /nfs/dbraw/zinc/31/44/81/388314481.db2.gz XHQLYFYMCVQNDW-ZJUUUORDSA-N 1 2 238.356 2.304 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1csc([C@H](C)OC)n1 ZINC000491718957 388314482 /nfs/dbraw/zinc/31/44/82/388314482.db2.gz XHQLYFYMCVQNDW-ZJUUUORDSA-N 1 2 238.356 2.304 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1csc([C@@H](C)OC)n1 ZINC000491718956 388314524 /nfs/dbraw/zinc/31/45/24/388314524.db2.gz XHQLYFYMCVQNDW-VHSXEESVSA-N 1 2 238.356 2.304 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1csc([C@@H](C)OC)n1 ZINC000491718956 388314525 /nfs/dbraw/zinc/31/45/25/388314525.db2.gz XHQLYFYMCVQNDW-VHSXEESVSA-N 1 2 238.356 2.304 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000491760675 388318678 /nfs/dbraw/zinc/31/86/78/388318678.db2.gz SBZIBHNSETYBPV-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000491760675 388318679 /nfs/dbraw/zinc/31/86/79/388318679.db2.gz SBZIBHNSETYBPV-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccoc1C ZINC000491776882 388319837 /nfs/dbraw/zinc/31/98/37/388319837.db2.gz YZIPRTOEXIASEK-UHFFFAOYSA-N 1 2 201.269 2.047 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccoc1C ZINC000491776882 388319838 /nfs/dbraw/zinc/31/98/38/388319838.db2.gz YZIPRTOEXIASEK-UHFFFAOYSA-N 1 2 201.269 2.047 20 30 BEEDLO C#CC[NH+](CC#C)Cc1scnc1C1CC1 ZINC000491790636 388321335 /nfs/dbraw/zinc/32/13/35/388321335.db2.gz ZVYMMEHJUNWNOT-UHFFFAOYSA-N 1 2 230.336 2.089 20 30 BEEDLO Cc1ncc(C[N@@H+](C)C[C@H](C)C#N)s1 ZINC000299176625 388440134 /nfs/dbraw/zinc/44/01/34/388440134.db2.gz XRLNKUCAZVTWHJ-MRVPVSSYSA-N 1 2 209.318 2.043 20 30 BEEDLO Cc1ncc(C[N@H+](C)C[C@H](C)C#N)s1 ZINC000299176625 388440136 /nfs/dbraw/zinc/44/01/36/388440136.db2.gz XRLNKUCAZVTWHJ-MRVPVSSYSA-N 1 2 209.318 2.043 20 30 BEEDLO COCC[N@H+](CC#N)C[C@@H]1CCCC(F)(F)C1 ZINC000316531816 388415437 /nfs/dbraw/zinc/41/54/37/388415437.db2.gz YWJVJVXPXFYBGE-LLVKDONJSA-N 1 2 246.301 2.284 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@@H]1CCCC(F)(F)C1 ZINC000316531816 388415439 /nfs/dbraw/zinc/41/54/39/388415439.db2.gz YWJVJVXPXFYBGE-LLVKDONJSA-N 1 2 246.301 2.284 20 30 BEEDLO Cc1cnn(CCCCC[NH+]2CC(C)(C#N)C2)c1 ZINC000573132887 388423345 /nfs/dbraw/zinc/42/33/45/388423345.db2.gz MPYHEFORGPLKCW-UHFFFAOYSA-N 1 2 246.358 2.207 20 30 BEEDLO C=CCOCC[N@@H+](C)Cc1csc(CC)n1 ZINC000549366377 388577366 /nfs/dbraw/zinc/57/73/66/388577366.db2.gz IWOUVDAQRIIHRZ-UHFFFAOYSA-N 1 2 240.372 2.340 20 30 BEEDLO C=CCOCC[N@H+](C)Cc1csc(CC)n1 ZINC000549366377 388577368 /nfs/dbraw/zinc/57/73/68/388577368.db2.gz IWOUVDAQRIIHRZ-UHFFFAOYSA-N 1 2 240.372 2.340 20 30 BEEDLO C[C@H]1CC[C@H](C[N@@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000405095385 388637402 /nfs/dbraw/zinc/63/74/02/388637402.db2.gz ZAFBIKAVMDIIMH-SMDDNHRTSA-N 1 2 242.322 2.441 20 30 BEEDLO C[C@H]1CC[C@H](C[N@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000405095385 388637405 /nfs/dbraw/zinc/63/74/05/388637405.db2.gz ZAFBIKAVMDIIMH-SMDDNHRTSA-N 1 2 242.322 2.441 20 30 BEEDLO CC[C@@H](Nc1ncc(C#N)cc1F)c1[nH]cc[nH+]1 ZINC000413249327 388662074 /nfs/dbraw/zinc/66/20/74/388662074.db2.gz PHCAWXMZDXKUEH-SNVBAGLBSA-N 1 2 245.261 2.379 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000092487095 388735274 /nfs/dbraw/zinc/73/52/74/388735274.db2.gz UHPQXQYDPOQSCQ-QWRGUYRKSA-N 1 2 234.299 2.151 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000092487095 388735277 /nfs/dbraw/zinc/73/52/77/388735277.db2.gz UHPQXQYDPOQSCQ-QWRGUYRKSA-N 1 2 234.299 2.151 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000093640589 388745107 /nfs/dbraw/zinc/74/51/07/388745107.db2.gz GIJQRAYYIAHROA-UHFFFAOYSA-N 1 2 248.351 2.375 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000093640589 388745110 /nfs/dbraw/zinc/74/51/10/388745110.db2.gz GIJQRAYYIAHROA-UHFFFAOYSA-N 1 2 248.351 2.375 20 30 BEEDLO Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)nc1C ZINC000314809452 388696792 /nfs/dbraw/zinc/69/67/92/388696792.db2.gz PHIRLHPOCVRNRM-UHFFFAOYSA-N 1 2 241.294 2.453 20 30 BEEDLO COc1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1C#N ZINC000335405502 388830688 /nfs/dbraw/zinc/83/06/88/388830688.db2.gz BHZBYTYPKCLHBL-GFCCVEGCSA-N 1 2 234.274 2.111 20 30 BEEDLO COc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1C#N ZINC000335405502 388830692 /nfs/dbraw/zinc/83/06/92/388830692.db2.gz BHZBYTYPKCLHBL-GFCCVEGCSA-N 1 2 234.274 2.111 20 30 BEEDLO N#CCC[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000564444600 388875782 /nfs/dbraw/zinc/87/57/82/388875782.db2.gz QINFZLORJYHMAV-UHFFFAOYSA-N 1 2 244.342 2.075 20 30 BEEDLO C=C(C)CN(CC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565177009 388921004 /nfs/dbraw/zinc/92/10/04/388921004.db2.gz IPSZTWBZLKKDDT-LLVKDONJSA-N 1 2 235.331 2.013 20 30 BEEDLO C=C(C)CN(CC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565177009 388921006 /nfs/dbraw/zinc/92/10/06/388921006.db2.gz IPSZTWBZLKKDDT-LLVKDONJSA-N 1 2 235.331 2.013 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000271790183 389025314 /nfs/dbraw/zinc/02/53/14/389025314.db2.gz IUGZCIUSKMDCAN-JTQLQIEISA-N 1 2 225.723 2.213 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000373348752 533535018 /nfs/dbraw/zinc/53/50/18/533535018.db2.gz PEWVUFBPBUILOJ-NSHDSACASA-N 1 2 247.342 2.136 20 30 BEEDLO N#CC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000049830660 132300422 /nfs/dbraw/zinc/30/04/22/132300422.db2.gz RHGLFMDYIXYWQI-UHFFFAOYSA-N 1 2 241.338 2.112 20 30 BEEDLO Cc1nc(NCCCC#N)c2c([nH+]1)CCCC2 ZINC000273424192 133545788 /nfs/dbraw/zinc/54/57/88/133545788.db2.gz ZHCLWZNSGRRDPA-UHFFFAOYSA-N 1 2 230.315 2.380 20 30 BEEDLO COc1cccc(C(N)=[NH+]OCC=C(C)C)c1 ZINC000288555067 133568190 /nfs/dbraw/zinc/56/81/90/133568190.db2.gz JCAIOYWRTHXJMA-UHFFFAOYSA-N 1 2 234.299 2.298 20 30 BEEDLO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccn1 ZINC000342873371 133605001 /nfs/dbraw/zinc/60/50/01/133605001.db2.gz IJOQHEFUDUZFHE-LLVKDONJSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccn1 ZINC000342873371 133605002 /nfs/dbraw/zinc/60/50/02/133605002.db2.gz IJOQHEFUDUZFHE-LLVKDONJSA-N 1 2 245.326 2.214 20 30 BEEDLO N#CC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000335964412 134027558 /nfs/dbraw/zinc/02/75/58/134027558.db2.gz AALVHYRRVKNFHO-UHFFFAOYSA-N 1 2 235.718 2.471 20 30 BEEDLO Cc1nc2ccccn2c1C[N@H+](C)C[C@@H](C)C#N ZINC000352092542 134061517 /nfs/dbraw/zinc/06/15/17/134061517.db2.gz UWPQOXCFZIFIKI-NSHDSACASA-N 1 2 242.326 2.234 20 30 BEEDLO F[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000336263170 134141642 /nfs/dbraw/zinc/14/16/42/134141642.db2.gz VTFLVCXMCBWICU-CYBMUJFWSA-N 1 2 203.260 2.082 20 30 BEEDLO F[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000336263170 134141643 /nfs/dbraw/zinc/14/16/43/134141643.db2.gz VTFLVCXMCBWICU-CYBMUJFWSA-N 1 2 203.260 2.082 20 30 BEEDLO CC[C@@](C)(C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000336278607 134142077 /nfs/dbraw/zinc/14/20/77/134142077.db2.gz VRIWJFYRQJXIFN-ZDUSSCGKSA-N 1 2 242.282 2.213 20 30 BEEDLO N#CC1(C[N@@H+]2CCc3sccc3C2)CC1 ZINC000336319894 134143429 /nfs/dbraw/zinc/14/34/29/134143429.db2.gz XJINKFVXCMTSIP-UHFFFAOYSA-N 1 2 218.325 2.410 20 30 BEEDLO N#CC1(C[N@H+]2CCc3sccc3C2)CC1 ZINC000336319894 134143430 /nfs/dbraw/zinc/14/34/30/134143430.db2.gz XJINKFVXCMTSIP-UHFFFAOYSA-N 1 2 218.325 2.410 20 30 BEEDLO CCCn1cc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000354019383 134165971 /nfs/dbraw/zinc/16/59/71/134165971.db2.gz XVASSQZTMRSRSF-UHFFFAOYSA-N 1 2 234.347 2.275 20 30 BEEDLO CCCn1cc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000354019383 134165972 /nfs/dbraw/zinc/16/59/72/134165972.db2.gz XVASSQZTMRSRSF-UHFFFAOYSA-N 1 2 234.347 2.275 20 30 BEEDLO C=CCOCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000356107392 134177015 /nfs/dbraw/zinc/17/70/15/134177015.db2.gz GZGRHKKMGQNCOI-UHFFFAOYSA-N 1 2 245.282 2.066 20 30 BEEDLO CC[C@H]1C[C@@H](C[N@H+](CC#N)C2CC2)CCO1 ZINC000356971808 134181301 /nfs/dbraw/zinc/18/13/01/134181301.db2.gz AQWCLEZJDJYIOY-AAEUAGOBSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@H]1C[C@@H](C[N@@H+](CC#N)C2CC2)CCO1 ZINC000356971808 134181302 /nfs/dbraw/zinc/18/13/02/134181302.db2.gz AQWCLEZJDJYIOY-AAEUAGOBSA-N 1 2 222.332 2.180 20 30 BEEDLO CCC[N@H+](CC#N)C[C@@H]1CCO[C@H](CC)C1 ZINC000357000962 134181529 /nfs/dbraw/zinc/18/15/29/134181529.db2.gz XEXBOCVATDHBCH-CHWSQXEVSA-N 1 2 224.348 2.427 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@@H]1CCO[C@H](CC)C1 ZINC000357000962 134181530 /nfs/dbraw/zinc/18/15/30/134181530.db2.gz XEXBOCVATDHBCH-CHWSQXEVSA-N 1 2 224.348 2.427 20 30 BEEDLO C=C(C)C[N@@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000368187923 134217555 /nfs/dbraw/zinc/21/75/55/134217555.db2.gz JQTMVJNZBJGCGO-CQSZACIVSA-N 1 2 244.338 2.044 20 30 BEEDLO C=C(C)C[N@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000368187923 134217556 /nfs/dbraw/zinc/21/75/56/134217556.db2.gz JQTMVJNZBJGCGO-CQSZACIVSA-N 1 2 244.338 2.044 20 30 BEEDLO CC(C)(C)[C@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000304250366 134237051 /nfs/dbraw/zinc/23/70/51/134237051.db2.gz QTZRIBSWIKPZCH-GFCCVEGCSA-N 1 2 224.348 2.162 20 30 BEEDLO CC(C)(C)[C@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000304250366 134237052 /nfs/dbraw/zinc/23/70/52/134237052.db2.gz QTZRIBSWIKPZCH-GFCCVEGCSA-N 1 2 224.348 2.162 20 30 BEEDLO C#CC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000374813550 134238044 /nfs/dbraw/zinc/23/80/44/134238044.db2.gz FPSDCPKYRLNBKV-CYBMUJFWSA-N 1 2 221.250 2.329 20 30 BEEDLO C#CC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000374813550 134238045 /nfs/dbraw/zinc/23/80/45/134238045.db2.gz FPSDCPKYRLNBKV-CYBMUJFWSA-N 1 2 221.250 2.329 20 30 BEEDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CCCO1 ZINC000171384993 134256749 /nfs/dbraw/zinc/25/67/49/134256749.db2.gz RNPZFYPGOPSJRL-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CCCO1 ZINC000171384993 134256750 /nfs/dbraw/zinc/25/67/50/134256750.db2.gz RNPZFYPGOPSJRL-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccco2)no1 ZINC000181298693 134335042 /nfs/dbraw/zinc/33/50/42/134335042.db2.gz DQMSCIHSVLJWRY-UHFFFAOYSA-N 1 2 233.271 2.338 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccco2)no1 ZINC000181298693 134335043 /nfs/dbraw/zinc/33/50/43/134335043.db2.gz DQMSCIHSVLJWRY-UHFFFAOYSA-N 1 2 233.271 2.338 20 30 BEEDLO N#Cc1cccc(C[NH+]2CCC(C#N)CC2)c1F ZINC000223527574 134340319 /nfs/dbraw/zinc/34/03/19/134340319.db2.gz PYMYMHYASGXTFH-UHFFFAOYSA-N 1 2 243.285 2.433 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccccc1C#N ZINC000063086370 134395935 /nfs/dbraw/zinc/39/59/35/134395935.db2.gz PODVZTUQMXUATF-LBPRGKRZSA-N 1 2 243.310 2.171 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccccc1C#N ZINC000063086370 134395937 /nfs/dbraw/zinc/39/59/37/134395937.db2.gz PODVZTUQMXUATF-LBPRGKRZSA-N 1 2 243.310 2.171 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000063086368 134395981 /nfs/dbraw/zinc/39/59/81/134395981.db2.gz NHKMCWPMWHYYIZ-LBPRGKRZSA-N 1 2 243.310 2.171 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000063086368 134395982 /nfs/dbraw/zinc/39/59/82/134395982.db2.gz NHKMCWPMWHYYIZ-LBPRGKRZSA-N 1 2 243.310 2.171 20 30 BEEDLO CCC[N@@H+](CC#N)CCCC1(C#N)CCOCC1 ZINC000337170283 135003318 /nfs/dbraw/zinc/00/33/18/135003318.db2.gz FAQICAFHNPFGDT-UHFFFAOYSA-N 1 2 249.358 2.323 20 30 BEEDLO CCC[N@H+](CC#N)CCCC1(C#N)CCOCC1 ZINC000337170283 135003320 /nfs/dbraw/zinc/00/33/20/135003320.db2.gz FAQICAFHNPFGDT-UHFFFAOYSA-N 1 2 249.358 2.323 20 30 BEEDLO N#CCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337403666 135016209 /nfs/dbraw/zinc/01/62/09/135016209.db2.gz LSMITTFLHNUMLB-SECBINFHSA-N 1 2 202.248 2.410 20 30 BEEDLO N#CCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337403666 135016211 /nfs/dbraw/zinc/01/62/11/135016211.db2.gz LSMITTFLHNUMLB-SECBINFHSA-N 1 2 202.248 2.410 20 30 BEEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nnc(C)s1 ZINC000338291622 135031536 /nfs/dbraw/zinc/03/15/36/135031536.db2.gz XLKLBDXVVKUZKN-MRVPVSSYSA-N 1 2 211.334 2.415 20 30 BEEDLO C=C(C)C[N@H+](C)[C@H](C)c1nnc(C)s1 ZINC000338291622 135031537 /nfs/dbraw/zinc/03/15/37/135031537.db2.gz XLKLBDXVVKUZKN-MRVPVSSYSA-N 1 2 211.334 2.415 20 30 BEEDLO C=CCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000338569084 135041211 /nfs/dbraw/zinc/04/12/11/135041211.db2.gz PRRQLAADPYRBOI-LBPRGKRZSA-N 1 2 228.299 2.060 20 30 BEEDLO CC#CCN(C)c1cc[nH+]c(C(C)C)n1 ZINC000338827368 135046018 /nfs/dbraw/zinc/04/60/18/135046018.db2.gz IJZHWRZUUDKSGX-UHFFFAOYSA-N 1 2 203.289 2.060 20 30 BEEDLO C=CCOCC[N@@H+](C)Cc1csc(C)n1 ZINC000338935968 135048790 /nfs/dbraw/zinc/04/87/90/135048790.db2.gz ZTVYYMRIDZMZOS-UHFFFAOYSA-N 1 2 226.345 2.086 20 30 BEEDLO C=CCOCC[N@H+](C)Cc1csc(C)n1 ZINC000338935968 135048791 /nfs/dbraw/zinc/04/87/91/135048791.db2.gz ZTVYYMRIDZMZOS-UHFFFAOYSA-N 1 2 226.345 2.086 20 30 BEEDLO C=CCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000163702141 135072851 /nfs/dbraw/zinc/07/28/51/135072851.db2.gz KGGSRFCAOULMRQ-UHFFFAOYSA-N 1 2 243.310 2.037 20 30 BEEDLO CC[N@@H+](Cc1ccnc(OC)c1)C[C@@H](C)C#N ZINC000339864500 135086526 /nfs/dbraw/zinc/08/65/26/135086526.db2.gz DPIMCYZAGBSBHG-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO CC[N@H+](Cc1ccnc(OC)c1)C[C@@H](C)C#N ZINC000339864500 135086529 /nfs/dbraw/zinc/08/65/29/135086529.db2.gz DPIMCYZAGBSBHG-NSHDSACASA-N 1 2 233.315 2.072 20 30 BEEDLO N#CC[N@H+](C[C@H]1CCCCO1)C1CCCC1 ZINC000078003539 135089700 /nfs/dbraw/zinc/08/97/00/135089700.db2.gz WLWIEPSOCPAGIM-CYBMUJFWSA-N 1 2 222.332 2.324 20 30 BEEDLO N#CC[N@@H+](C[C@H]1CCCCO1)C1CCCC1 ZINC000078003539 135089702 /nfs/dbraw/zinc/08/97/02/135089702.db2.gz WLWIEPSOCPAGIM-CYBMUJFWSA-N 1 2 222.332 2.324 20 30 BEEDLO Cc1ccc(C[N@@H+](C)CC2(C#N)CC2)o1 ZINC000258903980 135135537 /nfs/dbraw/zinc/13/55/37/135135537.db2.gz LKKXLEOWOUSGOY-UHFFFAOYSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1ccc(C[N@H+](C)CC2(C#N)CC2)o1 ZINC000258903980 135135539 /nfs/dbraw/zinc/13/55/39/135135539.db2.gz LKKXLEOWOUSGOY-UHFFFAOYSA-N 1 2 204.273 2.324 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1ccccc1F ZINC000268289290 135158745 /nfs/dbraw/zinc/15/87/45/135158745.db2.gz IPBJERKGFVMHDG-MFKMUULPSA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1ccccc1F ZINC000268289290 135158747 /nfs/dbraw/zinc/15/87/47/135158747.db2.gz IPBJERKGFVMHDG-MFKMUULPSA-N 1 2 236.290 2.093 20 30 BEEDLO CC(C)n1cc[nH+]c1CN(C)[C@@H](C)CC#N ZINC000268316445 135158892 /nfs/dbraw/zinc/15/88/92/135158892.db2.gz ROWPLIOVADFIHI-NSHDSACASA-N 1 2 220.320 2.198 20 30 BEEDLO N#CC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000270527119 135172297 /nfs/dbraw/zinc/17/22/97/135172297.db2.gz DSKVGLVNHKSHHF-UHFFFAOYSA-N 1 2 231.299 2.288 20 30 BEEDLO CCC[C@@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000294962417 135188005 /nfs/dbraw/zinc/18/80/05/135188005.db2.gz LDJMVIFJPHIIBS-GFCCVEGCSA-N 1 2 236.315 2.156 20 30 BEEDLO CCC[C@@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000294962417 135188006 /nfs/dbraw/zinc/18/80/06/135188006.db2.gz LDJMVIFJPHIIBS-GFCCVEGCSA-N 1 2 236.315 2.156 20 30 BEEDLO Cc1nocc1C[N@H+](CCC#N)CC1CC1 ZINC000295396118 135189381 /nfs/dbraw/zinc/18/93/81/135189381.db2.gz QGZKDQXJGUCSSP-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1nocc1C[N@@H+](CCC#N)CC1CC1 ZINC000295396118 135189383 /nfs/dbraw/zinc/18/93/83/135189383.db2.gz QGZKDQXJGUCSSP-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO C=CCN(CCC#N)C(=O)Nc1cc[nH+]cc1C ZINC000297691054 135196368 /nfs/dbraw/zinc/19/63/68/135196368.db2.gz HJZACAIIDYQZGT-UHFFFAOYSA-N 1 2 244.298 2.324 20 30 BEEDLO N#CCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298723106 135200302 /nfs/dbraw/zinc/20/03/02/135200302.db2.gz PLPAGDYHHFKRCG-CQSZACIVSA-N 1 2 230.311 2.364 20 30 BEEDLO N#CCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298723106 135200304 /nfs/dbraw/zinc/20/03/04/135200304.db2.gz PLPAGDYHHFKRCG-CQSZACIVSA-N 1 2 230.311 2.364 20 30 BEEDLO COCC[C@@H]([NH2+]CCC#N)c1ccc(C)o1 ZINC000298844511 135200744 /nfs/dbraw/zinc/20/07/44/135200744.db2.gz IEHHRXCFYJGMMR-LLVKDONJSA-N 1 2 222.288 2.169 20 30 BEEDLO COC(=O)c1cccc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000299149382 135201781 /nfs/dbraw/zinc/20/17/81/135201781.db2.gz DUDPGMGBMWIRGC-NSHDSACASA-N 1 2 246.310 2.065 20 30 BEEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000299149382 135201782 /nfs/dbraw/zinc/20/17/82/135201782.db2.gz DUDPGMGBMWIRGC-NSHDSACASA-N 1 2 246.310 2.065 20 30 BEEDLO C=C(Cl)C[N@@H+](CCOC)Cc1cccnc1 ZINC000299414596 135203378 /nfs/dbraw/zinc/20/33/78/135203378.db2.gz TZVCGQITLNDYGV-UHFFFAOYSA-N 1 2 240.734 2.283 20 30 BEEDLO C=C(Cl)C[N@H+](CCOC)Cc1cccnc1 ZINC000299414596 135203379 /nfs/dbraw/zinc/20/33/79/135203379.db2.gz TZVCGQITLNDYGV-UHFFFAOYSA-N 1 2 240.734 2.283 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000299717216 135206481 /nfs/dbraw/zinc/20/64/81/135206481.db2.gz RSZQDBYAQBECPK-GFCCVEGCSA-N 1 2 201.273 2.132 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000299717216 135206482 /nfs/dbraw/zinc/20/64/82/135206482.db2.gz RSZQDBYAQBECPK-GFCCVEGCSA-N 1 2 201.273 2.132 20 30 BEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000121136165 135221832 /nfs/dbraw/zinc/22/18/32/135221832.db2.gz ZSKSSBCPHRVDQU-UHFFFAOYSA-N 1 2 240.253 2.021 20 30 BEEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000121136165 135221833 /nfs/dbraw/zinc/22/18/33/135221833.db2.gz ZSKSSBCPHRVDQU-UHFFFAOYSA-N 1 2 240.253 2.021 20 30 BEEDLO N#CCc1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000341372770 135236790 /nfs/dbraw/zinc/23/67/90/135236790.db2.gz WNLBHAVILFOYFT-UHFFFAOYSA-N 1 2 227.267 2.193 20 30 BEEDLO Cc1c[nH+]c(CN(CCC#N)CCC(C)C)n1C ZINC000342801514 135321866 /nfs/dbraw/zinc/32/18/66/135321866.db2.gz XFWZRDNLGJKCCP-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO Cc1cccc(CCNc2ccnc(C#N)c2)[nH+]1 ZINC000343056781 135345901 /nfs/dbraw/zinc/34/59/01/135345901.db2.gz YMVOTHQDQGTGOF-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO CO[C@@H](C[N@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000284245696 135371661 /nfs/dbraw/zinc/37/16/61/135371661.db2.gz CJXSSWAFRBBCFO-JSGCOSHPSA-N 1 2 232.327 2.466 20 30 BEEDLO CO[C@@H](C[N@@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000284245696 135371663 /nfs/dbraw/zinc/37/16/63/135371663.db2.gz CJXSSWAFRBBCFO-JSGCOSHPSA-N 1 2 232.327 2.466 20 30 BEEDLO Cc1nc(N[C@H]2CC[C@@H](CC#N)C2)cc[nH+]1 ZINC000295008785 135379194 /nfs/dbraw/zinc/37/91/94/135379194.db2.gz OYPKHCCMYDYJIT-QWRGUYRKSA-N 1 2 216.288 2.279 20 30 BEEDLO Cc1cc(N[C@@H]2CCC[C@H](F)C2)c(C#N)c[nH+]1 ZINC000335379751 136086838 /nfs/dbraw/zinc/08/68/38/136086838.db2.gz MNLWFGWPCNZUQI-NWDGAFQWSA-N 1 2 233.290 2.376 20 30 BEEDLO CC1(C(N)=O)C[NH+](Cc2ccc(F)cc2C#N)C1 ZINC000335397610 136093035 /nfs/dbraw/zinc/09/30/35/136093035.db2.gz NDVIDOHOKMGSTI-UHFFFAOYSA-N 1 2 247.273 2.055 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1cncnc1)c1ccc(F)cc1 ZINC000491737199 397866274 /nfs/dbraw/zinc/86/62/74/397866274.db2.gz LEDRBIUDTSYHPD-CQSZACIVSA-N 1 2 241.269 2.080 20 30 BEEDLO C[C@H](c1csnn1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623492 397993183 /nfs/dbraw/zinc/99/31/83/397993183.db2.gz RMQMEOGYTCUMTD-ZJUUUORDSA-N 1 2 236.344 2.225 20 30 BEEDLO C[C@H](c1csnn1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623492 397993185 /nfs/dbraw/zinc/99/31/85/397993185.db2.gz RMQMEOGYTCUMTD-ZJUUUORDSA-N 1 2 236.344 2.225 20 30 BEEDLO Cc1ccnc(OC2CC[NH+](CCC#N)CC2)c1 ZINC000272766280 397987051 /nfs/dbraw/zinc/98/70/51/397987051.db2.gz ABOKJGPBZXXEII-UHFFFAOYSA-N 1 2 245.326 2.147 20 30 BEEDLO Cc1cc(C[NH2+]Cc2cc(C#N)cs2)no1 ZINC000086500226 322868531 /nfs/dbraw/zinc/86/85/31/322868531.db2.gz PSHOAJYJPOXFRC-UHFFFAOYSA-N 1 2 233.296 2.206 20 30 BEEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(C)cc(C)c1 ZINC000266918702 166167902 /nfs/dbraw/zinc/16/79/02/166167902.db2.gz LKACJHYQHQMVOH-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(C)cc(C)c1 ZINC000266918702 166167904 /nfs/dbraw/zinc/16/79/04/166167904.db2.gz LKACJHYQHQMVOH-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C=CC[N@H+](C)Cc1csc([C@H](C)OC)n1 ZINC000177474719 166325187 /nfs/dbraw/zinc/32/51/87/166325187.db2.gz URWJUVQKNRGMRA-VIFPVBQESA-N 1 2 226.345 2.468 20 30 BEEDLO C=CC[N@@H+](C)Cc1csc([C@H](C)OC)n1 ZINC000177474719 166325185 /nfs/dbraw/zinc/32/51/85/166325185.db2.gz URWJUVQKNRGMRA-VIFPVBQESA-N 1 2 226.345 2.468 20 30 BEEDLO C=CC(C)(C)CNc1nc[nH+]c(C)c1OC ZINC000656194199 411199584 /nfs/dbraw/zinc/19/95/84/411199584.db2.gz DOXRQZMECRWIME-UHFFFAOYSA-N 1 2 221.304 2.418 20 30 BEEDLO C=CCCn1cc(C[NH+]2CCC(=C)CC2)nn1 ZINC000653554764 411419617 /nfs/dbraw/zinc/41/96/17/411419617.db2.gz VDWOXDIVHPYSMM-UHFFFAOYSA-N 1 2 232.331 2.006 20 30 BEEDLO CCOCC[N@H+](C)Cc1cccc(F)c1C#N ZINC000362280869 170390604 /nfs/dbraw/zinc/39/06/04/170390604.db2.gz AZBFLHKTRVNCBY-UHFFFAOYSA-N 1 2 236.290 2.166 20 30 BEEDLO CCOCC[N@@H+](C)Cc1cccc(F)c1C#N ZINC000362280869 170390606 /nfs/dbraw/zinc/39/06/06/170390606.db2.gz AZBFLHKTRVNCBY-UHFFFAOYSA-N 1 2 236.290 2.166 20 30 BEEDLO C=CC[N@H+](Cc1coc(C)n1)[C@H](C)COC ZINC000661239487 411740645 /nfs/dbraw/zinc/74/06/45/411740645.db2.gz GPTCJKRSAXDBJH-SNVBAGLBSA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[N@@H+](Cc1coc(C)n1)[C@H](C)COC ZINC000661239487 411740647 /nfs/dbraw/zinc/74/06/47/411740647.db2.gz GPTCJKRSAXDBJH-SNVBAGLBSA-N 1 2 224.304 2.006 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C2CC2)nn1C)C(C)(C)C ZINC000661758453 411868650 /nfs/dbraw/zinc/86/86/50/411868650.db2.gz SGQVIJVZKKTDAC-UHFFFAOYSA-N 1 2 248.374 2.479 20 30 BEEDLO C=CC[N@H+](Cc1nc(C2CC2)nn1C)C(C)(C)C ZINC000661758453 411868657 /nfs/dbraw/zinc/86/86/57/411868657.db2.gz SGQVIJVZKKTDAC-UHFFFAOYSA-N 1 2 248.374 2.479 20 30 BEEDLO CC#CC[N@@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662240314 412036537 /nfs/dbraw/zinc/03/65/37/412036537.db2.gz DDWBNMOXTIHZBH-UWVGGRQHSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CC[N@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662240314 412036540 /nfs/dbraw/zinc/03/65/40/412036540.db2.gz DDWBNMOXTIHZBH-UWVGGRQHSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CC[N@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662240315 412037361 /nfs/dbraw/zinc/03/73/61/412037361.db2.gz DDWBNMOXTIHZBH-VHSXEESVSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CC[N@@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662240315 412037364 /nfs/dbraw/zinc/03/73/64/412037364.db2.gz DDWBNMOXTIHZBH-VHSXEESVSA-N 1 2 235.249 2.051 20 30 BEEDLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000036326357 171107147 /nfs/dbraw/zinc/10/71/47/171107147.db2.gz YUFXBQRUXCSLCB-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H]1COCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000036326357 171107151 /nfs/dbraw/zinc/10/71/51/171107151.db2.gz YUFXBQRUXCSLCB-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CCc1noc(C)c1C[NH2+]Cc1ccc(C#N)o1 ZINC000292984909 172079163 /nfs/dbraw/zinc/07/91/63/172079163.db2.gz NLMUSLJUAYZVDD-UHFFFAOYSA-N 1 2 245.282 2.300 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)[C@H](C)CO1 ZINC000160778701 176304833 /nfs/dbraw/zinc/30/48/33/176304833.db2.gz XESKHYRKDKXUHI-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H](C)CO1 ZINC000160778701 176304835 /nfs/dbraw/zinc/30/48/35/176304835.db2.gz XESKHYRKDKXUHI-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(C#N)s1 ZINC000130004506 176346443 /nfs/dbraw/zinc/34/64/43/176346443.db2.gz JHEJNGACCYVBKX-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO C=CC[C@@H]([NH2+]CCSC(C)C)C(=O)OCC ZINC001652377295 1173072738 /nfs/dbraw/zinc/07/27/38/1173072738.db2.gz BPKHVSFBGGPVFM-LLVKDONJSA-N 1 2 245.388 2.225 20 30 BEEDLO C[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000072875120 177109286 /nfs/dbraw/zinc/10/92/86/177109286.db2.gz KEOJKVMXKTWZJG-VIFPVBQESA-N 1 2 249.339 2.043 20 30 BEEDLO C[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000072875120 177109287 /nfs/dbraw/zinc/10/92/87/177109287.db2.gz KEOJKVMXKTWZJG-VIFPVBQESA-N 1 2 249.339 2.043 20 30 BEEDLO C[C@H]1CCOCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000362238448 177177111 /nfs/dbraw/zinc/17/71/11/177177111.db2.gz QOMCYVQPRHWNQZ-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H]1CCOCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000362238448 177177112 /nfs/dbraw/zinc/17/71/12/177177112.db2.gz QOMCYVQPRHWNQZ-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H](C)O1 ZINC000160462345 177263602 /nfs/dbraw/zinc/26/36/02/177263602.db2.gz UHNQKPOFNUKMEV-PHIMTYICSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H](C)O1 ZINC000160462345 177263603 /nfs/dbraw/zinc/26/36/03/177263603.db2.gz UHNQKPOFNUKMEV-PHIMTYICSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1COCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000156056606 177290559 /nfs/dbraw/zinc/29/05/59/177290559.db2.gz DWJUGUWWXCFBRK-LBPRGKRZSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@H]1COCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000156056606 177290560 /nfs/dbraw/zinc/29/05/60/177290560.db2.gz DWJUGUWWXCFBRK-LBPRGKRZSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc(C#N)s1 ZINC000130004271 177300061 /nfs/dbraw/zinc/30/00/61/177300061.db2.gz JHEJNGACCYVBKX-UWVGGRQHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)C/C=C\c1ccncc1 ZINC000495176162 226277741 /nfs/dbraw/zinc/27/77/41/226277741.db2.gz RRDPUIZAYBJVBO-MVZIDQBPSA-N 1 2 215.300 2.186 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)C/C=C\c1ccncc1 ZINC000495176162 226277742 /nfs/dbraw/zinc/27/77/42/226277742.db2.gz RRDPUIZAYBJVBO-MVZIDQBPSA-N 1 2 215.300 2.186 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)C/C=C/c1ccncc1 ZINC000494997413 226274222 /nfs/dbraw/zinc/27/42/22/226274222.db2.gz PGVQQNNCHSROTQ-PCAWENJQSA-N 1 2 215.300 2.329 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)C/C=C/c1ccncc1 ZINC000494997413 226274223 /nfs/dbraw/zinc/27/42/23/226274223.db2.gz PGVQQNNCHSROTQ-PCAWENJQSA-N 1 2 215.300 2.329 20 30 BEEDLO CCc1nocc1C[N@H+](CC)C[C@@H](C)C#N ZINC000507583534 226370362 /nfs/dbraw/zinc/37/03/62/226370362.db2.gz PUWGPAVKDDEYMT-JTQLQIEISA-N 1 2 221.304 2.219 20 30 BEEDLO CCc1nocc1C[N@@H+](CC)C[C@@H](C)C#N ZINC000507583534 226370363 /nfs/dbraw/zinc/37/03/63/226370363.db2.gz PUWGPAVKDDEYMT-JTQLQIEISA-N 1 2 221.304 2.219 20 30 BEEDLO C=C(C)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671714177 487704239 /nfs/dbraw/zinc/70/42/39/487704239.db2.gz OXCSKWJJYCAEHY-BDAKNGLRSA-N 1 2 223.238 2.214 20 30 BEEDLO C=C(C)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671714177 487704242 /nfs/dbraw/zinc/70/42/42/487704242.db2.gz OXCSKWJJYCAEHY-BDAKNGLRSA-N 1 2 223.238 2.214 20 30 BEEDLO CC#CC[N@@H+]1CCC(C)=C(Br)C1 ZINC000306566402 643186005 /nfs/dbraw/zinc/18/60/05/643186005.db2.gz ZRDGLVQLQHUYGQ-UHFFFAOYSA-N 1 2 228.133 2.384 20 30 BEEDLO CC#CC[N@H+]1CCC(C)=C(Br)C1 ZINC000306566402 643186009 /nfs/dbraw/zinc/18/60/09/643186009.db2.gz ZRDGLVQLQHUYGQ-UHFFFAOYSA-N 1 2 228.133 2.384 20 30 BEEDLO N#CCc1cc[nH+]c(NCc2cccnc2)c1 ZINC000562295548 323015341 /nfs/dbraw/zinc/01/53/41/323015341.db2.gz NIGRUACITMSMSQ-UHFFFAOYSA-N 1 2 224.267 2.155 20 30 BEEDLO C=C(C)C[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000572662442 323081465 /nfs/dbraw/zinc/08/14/65/323081465.db2.gz NBFMFEZETGRCFE-AWEZNQCLSA-N 1 2 244.338 2.044 20 30 BEEDLO C=C(C)C[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000572662442 323081466 /nfs/dbraw/zinc/08/14/66/323081466.db2.gz NBFMFEZETGRCFE-AWEZNQCLSA-N 1 2 244.338 2.044 20 30 BEEDLO Cc1cc(N2CCC(C)(C#N)CC2)c(C#N)c[nH+]1 ZINC000571040761 323104501 /nfs/dbraw/zinc/10/45/01/323104501.db2.gz HPMAIARCNKDILW-UHFFFAOYSA-N 1 2 240.310 2.392 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1ccc(C#N)o1 ZINC000535077249 323165670 /nfs/dbraw/zinc/16/56/70/323165670.db2.gz UQHAVCPZHMKVGA-UHFFFAOYSA-N 1 2 217.272 2.275 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(C#N)o1 ZINC000535077249 323165671 /nfs/dbraw/zinc/16/56/71/323165671.db2.gz UQHAVCPZHMKVGA-UHFFFAOYSA-N 1 2 217.272 2.275 20 30 BEEDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000563941384 323328123 /nfs/dbraw/zinc/32/81/23/323328123.db2.gz RBUSZULMDZSLOC-AOOOYVTPSA-N 1 2 245.282 2.449 20 30 BEEDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000563941384 323328127 /nfs/dbraw/zinc/32/81/27/323328127.db2.gz RBUSZULMDZSLOC-AOOOYVTPSA-N 1 2 245.282 2.449 20 30 BEEDLO CCC#C[C@@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000677047050 487958072 /nfs/dbraw/zinc/95/80/72/487958072.db2.gz PWOKKQYOIILFLT-GFCCVEGCSA-N 1 2 249.383 2.067 20 30 BEEDLO CCC#C[C@H](C)[N@H+](C)Cc1cc(C)on1 ZINC000677047793 487959363 /nfs/dbraw/zinc/95/93/63/487959363.db2.gz HWPNSIAXUUDBKU-JTQLQIEISA-N 1 2 206.289 2.217 20 30 BEEDLO CCC#C[C@H](C)[N@@H+](C)Cc1cc(C)on1 ZINC000677047793 487959365 /nfs/dbraw/zinc/95/93/65/487959365.db2.gz HWPNSIAXUUDBKU-JTQLQIEISA-N 1 2 206.289 2.217 20 30 BEEDLO CCC(C#N)(CC)C(=O)Nc1c[nH+]ccc1OC ZINC000528317515 323796543 /nfs/dbraw/zinc/79/65/43/323796543.db2.gz DRIBLQAWUXJBJA-UHFFFAOYSA-N 1 2 247.298 2.359 20 30 BEEDLO C=CC[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000121187356 324004127 /nfs/dbraw/zinc/00/41/27/324004127.db2.gz OELIWNVABHSISN-UHFFFAOYSA-N 1 2 229.283 2.354 20 30 BEEDLO C=CC[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000121187356 324004131 /nfs/dbraw/zinc/00/41/31/324004131.db2.gz OELIWNVABHSISN-UHFFFAOYSA-N 1 2 229.283 2.354 20 30 BEEDLO CC[C@@H](CC#N)NCc1[nH+]cc(C)c(OC)c1C ZINC000566428318 326045126 /nfs/dbraw/zinc/04/51/26/326045126.db2.gz DVCTZCADNLQHMV-LBPRGKRZSA-N 1 2 247.342 2.489 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ncc(C)c(OC)c1C ZINC000566428318 326045128 /nfs/dbraw/zinc/04/51/28/326045128.db2.gz DVCTZCADNLQHMV-LBPRGKRZSA-N 1 2 247.342 2.489 20 30 BEEDLO N#CCCCCNc1cc[nH+]c(C2CC2)n1 ZINC000264708951 326114957 /nfs/dbraw/zinc/11/49/57/326114957.db2.gz FXVBMAKJQOGLDT-UHFFFAOYSA-N 1 2 216.288 2.460 20 30 BEEDLO COc1ccc[nH+]c1N[C@@H]1CC[C@H](C#N)C1 ZINC000309869286 326172997 /nfs/dbraw/zinc/17/29/97/326172997.db2.gz PXSJGBGHKZZZKP-VHSXEESVSA-N 1 2 217.272 2.194 20 30 BEEDLO C=CCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000567486410 326202555 /nfs/dbraw/zinc/20/25/55/326202555.db2.gz IOLYQLGWJHYTTF-UHFFFAOYSA-N 1 2 235.331 2.123 20 30 BEEDLO C=CCCCCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000567486410 326202557 /nfs/dbraw/zinc/20/25/57/326202557.db2.gz IOLYQLGWJHYTTF-UHFFFAOYSA-N 1 2 235.331 2.123 20 30 BEEDLO C[C@H]([NH2+]CCC#N)c1nccn1-c1ccccc1 ZINC000567707292 326249047 /nfs/dbraw/zinc/24/90/47/326249047.db2.gz PKULMJDGWZYDBX-LBPRGKRZSA-N 1 2 240.310 2.437 20 30 BEEDLO CCc1cnc(C[NH2+]C[C@@H](C#N)CCC#N)s1 ZINC000568254959 326335787 /nfs/dbraw/zinc/33/57/87/326335787.db2.gz WVJRKIRGWHDDSK-SNVBAGLBSA-N 1 2 248.355 2.239 20 30 BEEDLO CC1(C#N)C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC000569115808 326391136 /nfs/dbraw/zinc/39/11/36/326391136.db2.gz ZWHQSTICZREZDM-VIFPVBQESA-N 1 2 214.259 2.267 20 30 BEEDLO COCC#CC[N@H+](C)Cc1ccc(F)cc1F ZINC000677817554 488131247 /nfs/dbraw/zinc/13/12/47/488131247.db2.gz QCQYUIJWTYWREA-UHFFFAOYSA-N 1 2 239.265 2.046 20 30 BEEDLO COCC#CC[N@@H+](C)Cc1ccc(F)cc1F ZINC000677817554 488131249 /nfs/dbraw/zinc/13/12/49/488131249.db2.gz QCQYUIJWTYWREA-UHFFFAOYSA-N 1 2 239.265 2.046 20 30 BEEDLO CC#CCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671715679 487704699 /nfs/dbraw/zinc/70/46/99/487704699.db2.gz SSGBDMZFNGGPDM-UWVGGRQHSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671715679 487704702 /nfs/dbraw/zinc/70/47/02/487704702.db2.gz SSGBDMZFNGGPDM-UWVGGRQHSA-N 1 2 235.249 2.051 20 30 BEEDLO C=CCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000684116535 488267817 /nfs/dbraw/zinc/26/78/17/488267817.db2.gz OAYIWYCHIKFSJU-UHFFFAOYSA-N 1 2 244.298 2.422 20 30 BEEDLO CCC#C[C@H](C)[N@H+](C)Cc1nccs1 ZINC000678714648 488276776 /nfs/dbraw/zinc/27/67/76/488276776.db2.gz HNSJHWUKGQZIKH-JTQLQIEISA-N 1 2 208.330 2.377 20 30 BEEDLO CCC#C[C@H](C)[N@@H+](C)Cc1nccs1 ZINC000678714648 488276779 /nfs/dbraw/zinc/27/67/79/488276779.db2.gz HNSJHWUKGQZIKH-JTQLQIEISA-N 1 2 208.330 2.377 20 30 BEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc(CC)[nH+]cn1 ZINC000684764754 488340660 /nfs/dbraw/zinc/34/06/60/488340660.db2.gz RYFFSBFVNKZHNL-SMDDNHRTSA-N 1 2 247.342 2.432 20 30 BEEDLO C=CC[C@@H](CC)NC(=O)CCCn1cc[nH+]c1 ZINC000684939812 488354541 /nfs/dbraw/zinc/35/45/41/488354541.db2.gz WISSODYLBBFYCX-GFCCVEGCSA-N 1 2 235.331 2.134 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000408157140 490131495 /nfs/dbraw/zinc/13/14/95/490131495.db2.gz AIZWGPSSUYUAMV-UHFFFAOYSA-N 1 2 246.314 2.073 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnc(F)c(C)c1 ZINC000891579439 582699414 /nfs/dbraw/zinc/69/94/14/582699414.db2.gz YNAKCIYFUFVLDZ-UHFFFAOYSA-N 1 2 221.279 2.265 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnc(F)c(C)c1 ZINC000891579439 582699416 /nfs/dbraw/zinc/69/94/16/582699416.db2.gz YNAKCIYFUFVLDZ-UHFFFAOYSA-N 1 2 221.279 2.265 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)cnc1F ZINC000891933747 582739654 /nfs/dbraw/zinc/73/96/54/582739654.db2.gz MUPBCKMUCHOVFB-JTQLQIEISA-N 1 2 221.279 2.263 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)cnc1F ZINC000891933747 582739655 /nfs/dbraw/zinc/73/96/55/582739655.db2.gz MUPBCKMUCHOVFB-JTQLQIEISA-N 1 2 221.279 2.263 20 30 BEEDLO C=CC[C@H](CC)Nc1[nH+]cnc2c1cnn2C ZINC000280959229 534383464 /nfs/dbraw/zinc/38/34/64/534383464.db2.gz IEKATORQDAPAAD-VIFPVBQESA-N 1 2 231.303 2.130 20 30 BEEDLO C=C(CC)C[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000358813256 534393498 /nfs/dbraw/zinc/39/34/98/534393498.db2.gz DUJHIPKFPSIYJU-ZDUSSCGKSA-N 1 2 249.358 2.366 20 30 BEEDLO C=C(CC)C[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000358813256 534393499 /nfs/dbraw/zinc/39/34/99/534393499.db2.gz DUJHIPKFPSIYJU-ZDUSSCGKSA-N 1 2 249.358 2.366 20 30 BEEDLO C=C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000329378080 534461722 /nfs/dbraw/zinc/46/17/22/534461722.db2.gz MKCNSGAWLBRTQQ-AWEZNQCLSA-N 1 2 247.342 2.287 20 30 BEEDLO C=C[C@@H](C)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000336071106 534501203 /nfs/dbraw/zinc/50/12/03/534501203.db2.gz WAOJCIKZHLJZGH-SECBINFHSA-N 1 2 243.310 2.186 20 30 BEEDLO C=CCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000357438059 534627093 /nfs/dbraw/zinc/62/70/93/534627093.db2.gz HTONWHUJCVVEHI-UHFFFAOYSA-N 1 2 215.256 2.239 20 30 BEEDLO C=C[C@H](C)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000362559091 534633855 /nfs/dbraw/zinc/63/38/55/534633855.db2.gz DBSROMFBNXLZLD-JTQLQIEISA-N 1 2 240.310 2.255 20 30 BEEDLO C=CCCCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374357663 534652324 /nfs/dbraw/zinc/65/23/24/534652324.db2.gz JSMZKGPRKISWET-GFCCVEGCSA-N 1 2 247.342 2.092 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncc(C)cn1 ZINC000336346622 534696985 /nfs/dbraw/zinc/69/69/85/534696985.db2.gz FBHVUAQMQPWQBJ-LBPRGKRZSA-N 1 2 217.316 2.326 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncc(C)cn1 ZINC000336346622 534696988 /nfs/dbraw/zinc/69/69/88/534696988.db2.gz FBHVUAQMQPWQBJ-LBPRGKRZSA-N 1 2 217.316 2.326 20 30 BEEDLO C=CCCN(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000276370164 534772375 /nfs/dbraw/zinc/77/23/75/534772375.db2.gz XCJNZOCWNPVOGF-UHFFFAOYSA-N 1 2 246.358 2.479 20 30 BEEDLO C=CCCN(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000276370164 534772386 /nfs/dbraw/zinc/77/23/86/534772386.db2.gz XCJNZOCWNPVOGF-UHFFFAOYSA-N 1 2 246.358 2.479 20 30 BEEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)OC ZINC000357849810 534840630 /nfs/dbraw/zinc/84/06/30/534840630.db2.gz QHWPAEBBRCNVSG-JTQLQIEISA-N 1 2 239.340 2.298 20 30 BEEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)OC ZINC000357849810 534840637 /nfs/dbraw/zinc/84/06/37/534840637.db2.gz QHWPAEBBRCNVSG-JTQLQIEISA-N 1 2 239.340 2.298 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1occc1C ZINC000490898984 526865504 /nfs/dbraw/zinc/86/55/04/526865504.db2.gz MVXKCLDIRIYDKD-UHFFFAOYSA-N 1 2 201.269 2.047 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1occc1C ZINC000490898984 526865508 /nfs/dbraw/zinc/86/55/08/526865508.db2.gz MVXKCLDIRIYDKD-UHFFFAOYSA-N 1 2 201.269 2.047 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1sccc1OC ZINC000490914400 526865744 /nfs/dbraw/zinc/86/57/44/526865744.db2.gz IGAVWEBHLMXKDL-UHFFFAOYSA-N 1 2 233.336 2.215 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1sccc1OC ZINC000490914400 526865749 /nfs/dbraw/zinc/86/57/49/526865749.db2.gz IGAVWEBHLMXKDL-UHFFFAOYSA-N 1 2 233.336 2.215 20 30 BEEDLO C=CC[C@H](CC)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492587840 527143600 /nfs/dbraw/zinc/14/36/00/527143600.db2.gz BSRWSKAEWQETNY-LAUAKBEESA-N 1 2 247.342 2.387 20 30 BEEDLO CO[C@@H]1CCC[C@@H]([NH2+][C@@](C)(C#N)C(C)C)C1 ZINC001172923975 974972301 /nfs/dbraw/zinc/97/23/01/974972301.db2.gz OSYQMTCNZUZDSP-UPJWGTAASA-N 1 2 224.348 2.472 20 30 BEEDLO CC(C)(C)[C@@H](O)C[N@H+](CC#N)C1CCCC1 ZINC000304250367 535060131 /nfs/dbraw/zinc/06/01/31/535060131.db2.gz QTZRIBSWIKPZCH-LBPRGKRZSA-N 1 2 224.348 2.162 20 30 BEEDLO CC(C)(C)[C@@H](O)C[N@@H+](CC#N)C1CCCC1 ZINC000304250367 535060138 /nfs/dbraw/zinc/06/01/38/535060138.db2.gz QTZRIBSWIKPZCH-LBPRGKRZSA-N 1 2 224.348 2.162 20 30 BEEDLO COc1ccccc1C(C)(C)[NH2+]CCC#N ZINC000298789350 537004968 /nfs/dbraw/zinc/00/49/68/537004968.db2.gz YGYUKDDBRHPDCS-UHFFFAOYSA-N 1 2 218.300 2.434 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)O ZINC000853264146 588730134 /nfs/dbraw/zinc/73/01/34/588730134.db2.gz RRSASHGJUPRKOA-UHFFFAOYSA-N 1 2 248.326 2.057 20 30 BEEDLO CC1(CNN=Cc2c[nH+]c3n2CCC3)CCCC1 ZINC000853348695 588736459 /nfs/dbraw/zinc/73/64/59/588736459.db2.gz MKVKDXVLGIAOJL-UHFFFAOYSA-N 1 2 246.358 2.333 20 30 BEEDLO FC(F)(F)[C@@H]1CCC[C@H](C=[NH+]n2ccnn2)C1 ZINC000853355105 588737474 /nfs/dbraw/zinc/73/74/74/588737474.db2.gz GTGBTQZEKTYTID-DTWKUNHWSA-N 1 2 246.236 2.481 20 30 BEEDLO C(=[NH+]n1ccnn1)C1C2CC3CC(C2)CC1C3 ZINC000853355537 588737529 /nfs/dbraw/zinc/73/75/29/588737529.db2.gz QDNHNXZCDMTBHE-UHFFFAOYSA-N 1 2 230.315 2.184 20 30 BEEDLO C(=NOCC1CCC1)c1cccc2[nH+]ccn21 ZINC000853439524 588742822 /nfs/dbraw/zinc/74/28/22/588742822.db2.gz KGAVTNHWSLFAAF-UHFFFAOYSA-N 1 2 229.283 2.485 20 30 BEEDLO C#CCCCCNc1cc(CC(=O)OC)cc[nH+]1 ZINC000853445727 588743743 /nfs/dbraw/zinc/74/37/43/588743743.db2.gz VEDCXINWDXZKPC-UHFFFAOYSA-N 1 2 246.310 2.013 20 30 BEEDLO N#CC[C@@H]1CCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000853525828 588747906 /nfs/dbraw/zinc/74/79/06/588747906.db2.gz IQKXTEQZPBTZDQ-JTQLQIEISA-N 1 2 238.722 2.120 20 30 BEEDLO N#CC[C@@H]1CCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000853525828 588747907 /nfs/dbraw/zinc/74/79/07/588747907.db2.gz IQKXTEQZPBTZDQ-JTQLQIEISA-N 1 2 238.722 2.120 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1N1CC[C@@H](F)C1 ZINC000853654468 588752493 /nfs/dbraw/zinc/75/24/93/588752493.db2.gz ZGJXCPMNFPFTGX-GFCCVEGCSA-N 1 2 248.301 2.422 20 30 BEEDLO C#C[C@H](CO)Nc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000853659475 588753152 /nfs/dbraw/zinc/75/31/52/588753152.db2.gz HTJFGCHDTODEDV-LLVKDONJSA-N 1 2 247.342 2.129 20 30 BEEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000855174948 588825507 /nfs/dbraw/zinc/82/55/07/588825507.db2.gz YMHHIYJJRUYBAQ-NEPJUHHUSA-N 1 2 247.342 2.203 20 30 BEEDLO C=CC[C@@H]1CCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000890549138 582470619 /nfs/dbraw/zinc/47/06/19/582470619.db2.gz HTQYOEIDWRDPPU-GFCCVEGCSA-N 1 2 247.342 2.104 20 30 BEEDLO C=C(C)CNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000811650935 582481570 /nfs/dbraw/zinc/48/15/70/582481570.db2.gz XPSMHWBXELNGAO-UHFFFAOYSA-N 1 2 244.342 2.204 20 30 BEEDLO C=CCCCN(CC)C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000890808858 582571184 /nfs/dbraw/zinc/57/11/84/582571184.db2.gz FNYWPWWOZFBTLP-UHFFFAOYSA-N 1 2 249.358 2.329 20 30 BEEDLO C=CCCCN(CC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000890810842 582572053 /nfs/dbraw/zinc/57/20/53/582572053.db2.gz HEVTYSUPNNQANJ-LBPRGKRZSA-N 1 2 249.358 2.403 20 30 BEEDLO C=CCCCN(CC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000890810842 582572054 /nfs/dbraw/zinc/57/20/54/582572054.db2.gz HEVTYSUPNNQANJ-LBPRGKRZSA-N 1 2 249.358 2.403 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc2[nH]c(=O)oc21 ZINC000891579279 582698620 /nfs/dbraw/zinc/69/86/20/582698620.db2.gz WTGCTGOWNCIWCO-UHFFFAOYSA-N 1 2 245.282 2.269 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc2[nH]c(=O)oc21 ZINC000891579279 582698622 /nfs/dbraw/zinc/69/86/22/582698622.db2.gz WTGCTGOWNCIWCO-UHFFFAOYSA-N 1 2 245.282 2.269 20 30 BEEDLO CCN(Cc1[nH+]ccn1C1CC1)C[C@@H](C)C#N ZINC000891715332 582711794 /nfs/dbraw/zinc/71/17/94/582711794.db2.gz CRYXEMIVNMHZDA-NSHDSACASA-N 1 2 232.331 2.200 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(O)c(F)c1 ZINC000891715161 582711943 /nfs/dbraw/zinc/71/19/43/582711943.db2.gz AFJRZUAYZGYLIO-VIFPVBQESA-N 1 2 222.263 2.123 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(O)c(F)c1 ZINC000891715161 582711946 /nfs/dbraw/zinc/71/19/46/582711946.db2.gz AFJRZUAYZGYLIO-VIFPVBQESA-N 1 2 222.263 2.123 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000891716278 582713158 /nfs/dbraw/zinc/71/31/58/582713158.db2.gz NDXLQQXCGASKFO-GFCCVEGCSA-N 1 2 246.358 2.275 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000891716278 582713159 /nfs/dbraw/zinc/71/31/59/582713159.db2.gz NDXLQQXCGASKFO-GFCCVEGCSA-N 1 2 246.358 2.275 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc2c1OCC2 ZINC000891716319 582713565 /nfs/dbraw/zinc/71/35/65/582713565.db2.gz OEKLDSDIXMLPSJ-NSHDSACASA-N 1 2 230.311 2.213 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc2c1OCC2 ZINC000891716319 582713566 /nfs/dbraw/zinc/71/35/66/582713566.db2.gz OEKLDSDIXMLPSJ-NSHDSACASA-N 1 2 230.311 2.213 20 30 BEEDLO C#CC[N@@H+](CC)Cc1c(Cl)n[nH]c1C1CC1 ZINC000891805700 582724596 /nfs/dbraw/zinc/72/45/96/582724596.db2.gz OYQWFPMYDQIRPX-UHFFFAOYSA-N 1 2 237.734 2.396 20 30 BEEDLO C#CC[N@H+](CC)Cc1c(Cl)n[nH]c1C1CC1 ZINC000891805700 582724599 /nfs/dbraw/zinc/72/45/99/582724599.db2.gz OYQWFPMYDQIRPX-UHFFFAOYSA-N 1 2 237.734 2.396 20 30 BEEDLO CCOc1ccc(C[N@H+](C)[C@@H](C)CC#N)o1 ZINC000891933875 582740931 /nfs/dbraw/zinc/74/09/31/582740931.db2.gz NJAQIJAMJOCDGL-JTQLQIEISA-N 1 2 222.288 2.412 20 30 BEEDLO CCOc1ccc(C[N@@H+](C)[C@@H](C)CC#N)o1 ZINC000891933875 582740932 /nfs/dbraw/zinc/74/09/32/582740932.db2.gz NJAQIJAMJOCDGL-JTQLQIEISA-N 1 2 222.288 2.412 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cnn(C2CCC2)c1 ZINC000892068377 582783383 /nfs/dbraw/zinc/78/33/83/582783383.db2.gz MBWGLIQJBNFLCN-UHFFFAOYSA-N 1 2 241.338 2.067 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cnn(C2CCC2)c1 ZINC000892068377 582783386 /nfs/dbraw/zinc/78/33/86/582783386.db2.gz MBWGLIQJBNFLCN-UHFFFAOYSA-N 1 2 241.338 2.067 20 30 BEEDLO COc1ccc2[nH+]ccc(NC[C@H](C)C#N)c2c1 ZINC000892726690 582970593 /nfs/dbraw/zinc/97/05/93/582970593.db2.gz AUKIJLPWMPVHNH-SNVBAGLBSA-N 1 2 241.294 2.237 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1c(C)noc1CC ZINC000893350425 583118841 /nfs/dbraw/zinc/11/88/41/583118841.db2.gz HJWOSPQUACREIF-UHFFFAOYSA-N 1 2 214.696 2.388 20 30 BEEDLO C=CC1(OC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000893358663 583122468 /nfs/dbraw/zinc/12/24/68/583122468.db2.gz JXLAZQBIBXFVLW-JTQLQIEISA-N 1 2 220.272 2.096 20 30 BEEDLO C#CCN(C)c1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000893444031 583144593 /nfs/dbraw/zinc/14/45/93/583144593.db2.gz VOYIGYIJWCVQSA-UHFFFAOYSA-N 1 2 227.311 2.301 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000893544438 583160106 /nfs/dbraw/zinc/16/01/06/583160106.db2.gz KUJFRHIXHJEGCE-SSDOTTSWSA-N 1 2 238.722 2.190 20 30 BEEDLO C=C[C@@H]1CCCCN1c1nccn2c[nH+]cc12 ZINC000893550980 583162750 /nfs/dbraw/zinc/16/27/50/583162750.db2.gz JOHGVOVHBLLNMO-LLVKDONJSA-N 1 2 228.299 2.274 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnc(OC)c1F ZINC000893605130 583171886 /nfs/dbraw/zinc/17/18/86/583171886.db2.gz CPPOXTVWHJIZIZ-JTQLQIEISA-N 1 2 237.278 2.011 20 30 BEEDLO Cc1noc([C@H](C)[NH2+]Cc2csc(C#N)c2)n1 ZINC000893973729 583264814 /nfs/dbraw/zinc/26/48/14/583264814.db2.gz QNKPMBMNKQRVKE-ZETCQYMHSA-N 1 2 248.311 2.162 20 30 BEEDLO N#CCC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000894082058 583294453 /nfs/dbraw/zinc/29/44/53/583294453.db2.gz PKLKNQKJVKFQCX-UHFFFAOYSA-N 1 2 210.664 2.049 20 30 BEEDLO C#CCCCCCC[NH+]1CC(C)(C#N)C1 ZINC000877580595 583335892 /nfs/dbraw/zinc/33/58/92/583335892.db2.gz UEZIDKLRSVDLDD-UHFFFAOYSA-N 1 2 204.317 2.416 20 30 BEEDLO N#CCC1(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)CC1 ZINC000878338443 583370404 /nfs/dbraw/zinc/37/04/04/583370404.db2.gz SWCYWCBIAMXKGF-LLVKDONJSA-N 1 2 230.315 2.240 20 30 BEEDLO N#CCC1(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)CC1 ZINC000878338443 583370406 /nfs/dbraw/zinc/37/04/06/583370406.db2.gz SWCYWCBIAMXKGF-LLVKDONJSA-N 1 2 230.315 2.240 20 30 BEEDLO C=CCCCCCNc1nc(N)[nH+]c(C2CC2)n1 ZINC000894428147 583456499 /nfs/dbraw/zinc/45/64/99/583456499.db2.gz QTSYCGLOPFKYKP-UHFFFAOYSA-N 1 2 247.346 2.490 20 30 BEEDLO C=CCCCCCNc1nc(N)nc(C2CC2)[nH+]1 ZINC000894428147 583456501 /nfs/dbraw/zinc/45/65/01/583456501.db2.gz QTSYCGLOPFKYKP-UHFFFAOYSA-N 1 2 247.346 2.490 20 30 BEEDLO N#Cc1cc(C[N@H+]2CC[C@@H](F)C2)cs1 ZINC000894673038 583504155 /nfs/dbraw/zinc/50/41/55/583504155.db2.gz XWVSNHJPMSGPFB-SECBINFHSA-N 1 2 210.277 2.164 20 30 BEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](F)C2)cs1 ZINC000894673038 583504157 /nfs/dbraw/zinc/50/41/57/583504157.db2.gz XWVSNHJPMSGPFB-SECBINFHSA-N 1 2 210.277 2.164 20 30 BEEDLO CCc1nc(C[NH2+]CC#Cc2ccccc2)co1 ZINC000894744904 583515513 /nfs/dbraw/zinc/51/55/13/583515513.db2.gz GLFKTUZRPRWOLI-UHFFFAOYSA-N 1 2 240.306 2.378 20 30 BEEDLO COC1C[NH+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000894819248 583525183 /nfs/dbraw/zinc/52/51/83/583525183.db2.gz JQKHHGWNMOLKCS-UHFFFAOYSA-N 1 2 230.311 2.006 20 30 BEEDLO C=CC[C@H]1CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895390075 583664187 /nfs/dbraw/zinc/66/41/87/583664187.db2.gz REQKZBBQJKEKCI-LBPRGKRZSA-N 1 2 219.332 2.425 20 30 BEEDLO C=CC[C@H]1CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895390075 583664189 /nfs/dbraw/zinc/66/41/89/583664189.db2.gz REQKZBBQJKEKCI-LBPRGKRZSA-N 1 2 219.332 2.425 20 30 BEEDLO C[C@H](CCC#N)C[N@@H+]1CC[C@H]1C(F)F ZINC000895433150 583671887 /nfs/dbraw/zinc/67/18/87/583671887.db2.gz UEGVWIMDYFCMRK-BDAKNGLRSA-N 1 2 202.248 2.266 20 30 BEEDLO C[C@H](CCC#N)C[N@H+]1CC[C@H]1C(F)F ZINC000895433150 583671889 /nfs/dbraw/zinc/67/18/89/583671889.db2.gz UEGVWIMDYFCMRK-BDAKNGLRSA-N 1 2 202.248 2.266 20 30 BEEDLO Cn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(C2CC2)n1 ZINC000895451366 583676299 /nfs/dbraw/zinc/67/62/99/583676299.db2.gz XALXILMEDKGRQT-CQSZACIVSA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(C2CC2)n1 ZINC000895451366 583676300 /nfs/dbraw/zinc/67/63/00/583676300.db2.gz XALXILMEDKGRQT-CQSZACIVSA-N 1 2 244.342 2.033 20 30 BEEDLO C=C(C)CN(CC)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895525068 583684136 /nfs/dbraw/zinc/68/41/36/583684136.db2.gz VSABPOBRRVGTTF-UHFFFAOYSA-N 1 2 249.358 2.351 20 30 BEEDLO C#CC[N@@H+](Cc1cc(C)co1)C1CSC1 ZINC000895810391 583730298 /nfs/dbraw/zinc/73/02/98/583730298.db2.gz BKWJBYPNMBPRDF-UHFFFAOYSA-N 1 2 221.325 2.139 20 30 BEEDLO C#CC[N@H+](Cc1cc(C)co1)C1CSC1 ZINC000895810391 583730299 /nfs/dbraw/zinc/73/02/99/583730299.db2.gz BKWJBYPNMBPRDF-UHFFFAOYSA-N 1 2 221.325 2.139 20 30 BEEDLO C#Cc1ccc(C[NH+]2CC(OC(C)C)C2)cc1 ZINC000895955040 583752824 /nfs/dbraw/zinc/75/28/24/583752824.db2.gz MOIOQGGLAIBQDP-UHFFFAOYSA-N 1 2 229.323 2.277 20 30 BEEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977274 588926814 /nfs/dbraw/zinc/92/68/14/588926814.db2.gz UFCQJNUTMHKQFH-SNVBAGLBSA-N 1 2 233.315 2.046 20 30 BEEDLO C#CC1(F)CN(Cc2[nH+]ccc3c2CCCC3)C1 ZINC000896010279 583761910 /nfs/dbraw/zinc/76/19/10/583761910.db2.gz VNLVMYKWRMFXOO-UHFFFAOYSA-N 1 2 244.313 2.118 20 30 BEEDLO C#CC1([NH2+]Cc2nnc(CC)s2)CCCC1 ZINC000896027110 583764808 /nfs/dbraw/zinc/76/48/08/583764808.db2.gz SYEUMICMGIPSSU-UHFFFAOYSA-N 1 2 235.356 2.136 20 30 BEEDLO Cn1ncc(C[N@@H+]2CCC[C@H](C#N)C2)c1C1CC1 ZINC000896500435 583807160 /nfs/dbraw/zinc/80/71/60/583807160.db2.gz FBVPQQBKDBDPKX-LLVKDONJSA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1ncc(C[N@H+]2CCC[C@H](C#N)C2)c1C1CC1 ZINC000896500435 583807162 /nfs/dbraw/zinc/80/71/62/583807162.db2.gz FBVPQQBKDBDPKX-LLVKDONJSA-N 1 2 244.342 2.033 20 30 BEEDLO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896503225 583807699 /nfs/dbraw/zinc/80/76/99/583807699.db2.gz JOWSNMGQPZPHRG-NSHDSACASA-N 1 2 246.310 2.136 20 30 BEEDLO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896503225 583807700 /nfs/dbraw/zinc/80/77/00/583807700.db2.gz JOWSNMGQPZPHRG-NSHDSACASA-N 1 2 246.310 2.136 20 30 BEEDLO N#C[C@@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000896507163 583808300 /nfs/dbraw/zinc/80/83/00/583808300.db2.gz YTXCUGPUNQMZRG-LBPRGKRZSA-N 1 2 240.310 2.070 20 30 BEEDLO C=C1CC(C)(c2noc(C3([NH+](C)C)CC3)n2)C1 ZINC000896927500 583859441 /nfs/dbraw/zinc/85/94/41/583859441.db2.gz NAHSNEDNANMZEP-UHFFFAOYSA-N 1 2 233.315 2.228 20 30 BEEDLO CC(=[NH+]Nc1ccc(C)nn1)c1ccc(N)cc1 ZINC000729936169 584030545 /nfs/dbraw/zinc/03/05/45/584030545.db2.gz KCTGKSQPWOOTEK-UHFFFAOYSA-N 1 2 241.298 2.203 20 30 BEEDLO C=C1CCC(C(=O)NCc2[nH+]ccn2CC)CC1 ZINC000897891505 584057676 /nfs/dbraw/zinc/05/76/76/584057676.db2.gz YEGOQCONONGQDB-UHFFFAOYSA-N 1 2 247.342 2.266 20 30 BEEDLO C[C@H]([NH2+]CC1CC1)c1cccc(C#N)c1O ZINC000866226912 584116602 /nfs/dbraw/zinc/11/66/02/584116602.db2.gz UYWAEWDIDAPHTN-VIFPVBQESA-N 1 2 216.284 2.324 20 30 BEEDLO COCC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866253437 584116920 /nfs/dbraw/zinc/11/69/20/584116920.db2.gz ZABHOFPGGJCGAB-QWRGUYRKSA-N 1 2 248.326 2.339 20 30 BEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C)c1 ZINC000730094868 584123175 /nfs/dbraw/zinc/12/31/75/584123175.db2.gz VEYVHKCUBPZZKO-AWEZNQCLSA-N 1 2 242.322 2.031 20 30 BEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C)c1 ZINC000730094868 584123176 /nfs/dbraw/zinc/12/31/76/584123176.db2.gz VEYVHKCUBPZZKO-AWEZNQCLSA-N 1 2 242.322 2.031 20 30 BEEDLO C=CCCCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898904678 584165535 /nfs/dbraw/zinc/16/55/35/584165535.db2.gz YYDPGVCXGUCCNL-UHFFFAOYSA-N 1 2 235.331 2.091 20 30 BEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cnn(C2CCC2)c1 ZINC000899406337 584212517 /nfs/dbraw/zinc/21/25/17/584212517.db2.gz KFPPIFQVYIYKET-SNAWJCMRSA-N 1 2 242.282 2.227 20 30 BEEDLO N#CCC[C@@H](C#N)C[NH+]1CC(Cc2ccoc2)C1 ZINC000899916994 584255170 /nfs/dbraw/zinc/25/51/70/584255170.db2.gz SCIVMHYARPGSLM-ZDUSSCGKSA-N 1 2 243.310 2.197 20 30 BEEDLO C=C1CCN(C(=O)c2ccc(C)[nH+]c2NC)CC1 ZINC000900585045 584331993 /nfs/dbraw/zinc/33/19/93/584331993.db2.gz HAACOHYZZUBYFD-UHFFFAOYSA-N 1 2 245.326 2.224 20 30 BEEDLO C=CC(C)(C)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000900786424 584351431 /nfs/dbraw/zinc/35/14/31/584351431.db2.gz LQHWUKOTDFXBCB-GFCCVEGCSA-N 1 2 249.358 2.238 20 30 BEEDLO C=CCCCCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900794430 584352751 /nfs/dbraw/zinc/35/27/51/584352751.db2.gz FMVMPOCFMAERTH-UHFFFAOYSA-N 1 2 235.331 2.157 20 30 BEEDLO CC1(C=[NH+]n2nnc3c2CCCC3)CCC1 ZINC000901331703 584425252 /nfs/dbraw/zinc/42/52/52/584425252.db2.gz ULFXLJLDFDIODZ-UHFFFAOYSA-N 1 2 218.304 2.181 20 30 BEEDLO CC(C)n1c[nH+]cc1C=CC(=O)c1c[nH]cn1 ZINC000901541325 584461166 /nfs/dbraw/zinc/46/11/66/584461166.db2.gz VDUFGBZBDSNJMQ-ONEGZZNKSA-N 1 2 230.271 2.083 20 30 BEEDLO CC(C)c1c[nH]c(C=CC(=O)c2ncco2)[nH+]1 ZINC000901517299 584461944 /nfs/dbraw/zinc/46/19/44/584461944.db2.gz ZKWNLDLWVRQOFB-ARJAWSKDSA-N 1 2 231.255 2.417 20 30 BEEDLO C=C[C@@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)C(=O)OC ZINC000901674055 584475760 /nfs/dbraw/zinc/47/57/60/584475760.db2.gz QMVMGEDMTLAYSO-VHSXEESVSA-N 1 2 247.285 2.129 20 30 BEEDLO C#CCCOC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000859058114 588995126 /nfs/dbraw/zinc/99/51/26/588995126.db2.gz PJSXIAKCBBCWEA-NSHDSACASA-N 1 2 247.298 2.097 20 30 BEEDLO C#CCCCO[NH+]=C(N)Cc1ccccc1F ZINC000902622731 584645332 /nfs/dbraw/zinc/64/53/32/584645332.db2.gz HVQWAQXZNRIOTJ-UHFFFAOYSA-N 1 2 234.274 2.280 20 30 BEEDLO CC[N@@H+](Cc1ccnc(F)c1)C[C@H](C)C#N ZINC000859104729 589002671 /nfs/dbraw/zinc/00/26/71/589002671.db2.gz HNQAYTLGHFRNOT-SNVBAGLBSA-N 1 2 221.279 2.202 20 30 BEEDLO CC[N@H+](Cc1ccnc(F)c1)C[C@H](C)C#N ZINC000859104729 589002673 /nfs/dbraw/zinc/00/26/73/589002673.db2.gz HNQAYTLGHFRNOT-SNVBAGLBSA-N 1 2 221.279 2.202 20 30 BEEDLO CC[C@H]([NH2+]CC(C)(C)C#N)c1nccn1C ZINC000903100799 584727329 /nfs/dbraw/zinc/72/73/29/584727329.db2.gz YLUOJBHRJAIDHV-JTQLQIEISA-N 1 2 220.320 2.011 20 30 BEEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(C#N)c1O ZINC000903101162 584727487 /nfs/dbraw/zinc/72/74/87/584727487.db2.gz BRTXIAHKAONFSJ-SNVBAGLBSA-N 1 2 243.310 2.464 20 30 BEEDLO CCc1noc(C)c1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106774 584728621 /nfs/dbraw/zinc/72/86/21/584728621.db2.gz UYEUPQSBWKXBJP-VIFPVBQESA-N 1 2 233.315 2.500 20 30 BEEDLO N#CC1(C[NH2+][C@H]2CCCn3ccnc32)CCCC1 ZINC000903108421 584728834 /nfs/dbraw/zinc/72/88/34/584728834.db2.gz CESHNEYGMRFHHD-LBPRGKRZSA-N 1 2 244.342 2.392 20 30 BEEDLO C=CC1CC[NH+](Cc2cc(Cl)n(C)n2)CC1 ZINC000859136066 589007512 /nfs/dbraw/zinc/00/75/12/589007512.db2.gz JDQCOPVKLKSEPO-UHFFFAOYSA-N 1 2 239.750 2.472 20 30 BEEDLO C#CC[NH+](CC#C)C[C@H](OC)c1ccc(F)cc1 ZINC000859153757 589009941 /nfs/dbraw/zinc/00/99/41/589009941.db2.gz XSRUHNAPEVOYDA-HNNXBMFYSA-N 1 2 245.297 2.082 20 30 BEEDLO C#CC[C@H]1CCC[N@@H+](Cc2noc(CCC)n2)C1 ZINC000829779361 584907767 /nfs/dbraw/zinc/90/77/67/584907767.db2.gz RRJJXCITDDXVIT-LBPRGKRZSA-N 1 2 247.342 2.257 20 30 BEEDLO C#CC[C@H]1CCC[N@H+](Cc2noc(CCC)n2)C1 ZINC000829779361 584907768 /nfs/dbraw/zinc/90/77/68/584907768.db2.gz RRJJXCITDDXVIT-LBPRGKRZSA-N 1 2 247.342 2.257 20 30 BEEDLO C[C@@H]1CCCCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753935736 584911299 /nfs/dbraw/zinc/91/12/99/584911299.db2.gz PISSLFQFHVECGB-RAIGVLPGSA-N 1 2 248.374 2.413 20 30 BEEDLO C[C@H](C=[NH+]n1ccnn1)C1CCCCC1 ZINC000835012230 584917981 /nfs/dbraw/zinc/91/79/81/584917981.db2.gz UPPRXLCCGGYGAW-SNVBAGLBSA-N 1 2 206.293 2.328 20 30 BEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000731155852 584922930 /nfs/dbraw/zinc/92/29/30/584922930.db2.gz VMHKGIOUDXWJRH-SNAWJCMRSA-N 1 2 216.215 2.445 20 30 BEEDLO CCC(=[NH+]Nc1cnn(C)c1)c1cccc(N)c1 ZINC000814914747 584925369 /nfs/dbraw/zinc/92/53/69/584925369.db2.gz HRJQNQYIXNUOKG-UHFFFAOYSA-N 1 2 243.314 2.229 20 30 BEEDLO CCOc1ccc(/C=[NH+]/CC2(C)COC2)c(O)c1 ZINC000732927105 584942053 /nfs/dbraw/zinc/94/20/53/584942053.db2.gz YGNYZBFQUXDABX-VIZOYTHASA-N 1 2 249.310 2.246 20 30 BEEDLO C(=NO[C@H]1CCCCO1)c1cccc2[nH+]ccn21 ZINC000755822180 584987630 /nfs/dbraw/zinc/98/76/30/584987630.db2.gz GIKRVXBNRRNIRB-ZDUSSCGKSA-N 1 2 245.282 2.211 20 30 BEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000838904858 585077611 /nfs/dbraw/zinc/07/76/11/585077611.db2.gz UDFXPRGBEBVMLK-RNCFNFMXSA-N 1 2 243.266 2.061 20 30 BEEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000838904858 585077612 /nfs/dbraw/zinc/07/76/12/585077612.db2.gz UDFXPRGBEBVMLK-RNCFNFMXSA-N 1 2 243.266 2.061 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](C)CCCC(C)C)C(=O)OC ZINC000839167129 585095477 /nfs/dbraw/zinc/09/54/77/585095477.db2.gz CSNPBRIGYOJHJG-OLZOCXBDSA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OC ZINC000839167817 585095591 /nfs/dbraw/zinc/09/55/91/585095591.db2.gz GPYUVYBZUPYWKF-VXGBXAGGSA-N 1 2 237.343 2.110 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000839189951 585096918 /nfs/dbraw/zinc/09/69/18/585096918.db2.gz ZRNDGIQMCUXHSR-INIZCTEOSA-N 1 2 241.334 2.398 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000839189951 585096919 /nfs/dbraw/zinc/09/69/19/585096919.db2.gz ZRNDGIQMCUXHSR-INIZCTEOSA-N 1 2 241.334 2.398 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(CC)s1 ZINC000839186361 585097097 /nfs/dbraw/zinc/09/70/97/585097097.db2.gz JKJCQWZWWPQTBX-NSHDSACASA-N 1 2 235.352 2.145 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(CC)s1 ZINC000839186361 585097098 /nfs/dbraw/zinc/09/70/98/585097098.db2.gz JKJCQWZWWPQTBX-NSHDSACASA-N 1 2 235.352 2.145 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc(CC)c1 ZINC000839199546 585099112 /nfs/dbraw/zinc/09/91/12/585099112.db2.gz OKRHBSXKHVWLNM-HNNXBMFYSA-N 1 2 229.323 2.083 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc(CC)c1 ZINC000839199546 585099113 /nfs/dbraw/zinc/09/91/13/585099113.db2.gz OKRHBSXKHVWLNM-HNNXBMFYSA-N 1 2 229.323 2.083 20 30 BEEDLO Cc1ccccc1[C@H](O)C[N@@H+](C)C[C@H](C)C#N ZINC000741784883 585118578 /nfs/dbraw/zinc/11/85/78/585118578.db2.gz WVNCBTZZAGBDRP-BXUZGUMPSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1ccccc1[C@H](O)C[N@H+](C)C[C@H](C)C#N ZINC000741784883 585118579 /nfs/dbraw/zinc/11/85/79/585118579.db2.gz WVNCBTZZAGBDRP-BXUZGUMPSA-N 1 2 232.327 2.120 20 30 BEEDLO C#CCOc1cc(F)ccc1NCc1[nH]cc[nH+]1 ZINC000742375253 585125516 /nfs/dbraw/zinc/12/55/16/585125516.db2.gz BLFXQSDZCPMWQV-UHFFFAOYSA-N 1 2 245.257 2.173 20 30 BEEDLO O=C1c2cccc(O)c2CC/C1=C\c1[nH]cc[nH+]1 ZINC000742435056 585126331 /nfs/dbraw/zinc/12/63/31/585126331.db2.gz PODSFNXVPVUIFG-CMDGGOBGSA-N 1 2 240.262 2.328 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1ccnc(F)c1)C1CC1 ZINC000859207615 589019041 /nfs/dbraw/zinc/01/90/41/589019041.db2.gz UMLSAGKCQQYMEB-SNVBAGLBSA-N 1 2 233.290 2.345 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1ccnc(F)c1)C1CC1 ZINC000859207615 589019042 /nfs/dbraw/zinc/01/90/42/589019042.db2.gz UMLSAGKCQQYMEB-SNVBAGLBSA-N 1 2 233.290 2.345 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(OC)c(F)c1 ZINC000743852591 585140883 /nfs/dbraw/zinc/14/08/83/585140883.db2.gz WTGIXBRRNAVEJC-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OC)c(F)c1 ZINC000743852591 585140884 /nfs/dbraw/zinc/14/08/84/585140884.db2.gz WTGIXBRRNAVEJC-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO O=C1c2cc(F)ccc2C/C1=C\c1[nH]cc[nH+]1 ZINC000749005780 585197998 /nfs/dbraw/zinc/19/79/98/585197998.db2.gz ZLMPNUZTYLLWEV-RMKNXTFCSA-N 1 2 228.226 2.371 20 30 BEEDLO CCc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)o1 ZINC000752237470 585243579 /nfs/dbraw/zinc/24/35/79/585243579.db2.gz GKFSJNSTRFJTEA-GQCTYLIASA-N 1 2 216.240 2.461 20 30 BEEDLO C#C[C@@H](CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000752931862 585251361 /nfs/dbraw/zinc/25/13/61/585251361.db2.gz YJGKXMHRPLBMCJ-NSHDSACASA-N 1 2 229.327 2.488 20 30 BEEDLO C[C@@H]1CCCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753936318 585272449 /nfs/dbraw/zinc/27/24/49/585272449.db2.gz RSMDGWZSXIYZAR-YUSALJHKSA-N 1 2 234.347 2.022 20 30 BEEDLO C[C@@H]1CCCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)C1 ZINC000753935390 585272611 /nfs/dbraw/zinc/27/26/11/585272611.db2.gz ODZNDVWVERPQHI-WXHSDQCUSA-N 1 2 248.374 2.413 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C[C@H](O)c1ccccc1)C1CC1 ZINC000754375332 585283517 /nfs/dbraw/zinc/28/35/17/585283517.db2.gz YBOJXZGPRMLUKM-WFASDCNBSA-N 1 2 244.338 2.344 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C[C@H](O)c1ccccc1)C1CC1 ZINC000754375332 585283518 /nfs/dbraw/zinc/28/35/18/585283518.db2.gz YBOJXZGPRMLUKM-WFASDCNBSA-N 1 2 244.338 2.344 20 30 BEEDLO C[C@H](C#N)C[N@H+](C[C@@H](O)c1ccccc1)C1CC1 ZINC000754375329 585283533 /nfs/dbraw/zinc/28/35/33/585283533.db2.gz YBOJXZGPRMLUKM-IUODEOHRSA-N 1 2 244.338 2.344 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C[C@@H](O)c1ccccc1)C1CC1 ZINC000754375329 585283534 /nfs/dbraw/zinc/28/35/34/585283534.db2.gz YBOJXZGPRMLUKM-IUODEOHRSA-N 1 2 244.338 2.344 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNc1cccc(F)c1 ZINC000755661978 585303804 /nfs/dbraw/zinc/30/38/04/585303804.db2.gz KTJGLUQOYQFXFY-UHFFFAOYSA-N 1 2 218.235 2.303 20 30 BEEDLO Cn1c[nH+]cc1C=NNCc1cccc(Cl)c1 ZINC000755770717 585306666 /nfs/dbraw/zinc/30/66/66/585306666.db2.gz PCURUOJDWGZETL-UHFFFAOYSA-N 1 2 248.717 2.197 20 30 BEEDLO O=C1c2c(cc(F)cc2F)O/C1=C\c1[nH]cc[nH+]1 ZINC000758029164 585348600 /nfs/dbraw/zinc/34/86/00/585348600.db2.gz JKLYNJDTGGMIMY-UITAMQMPSA-N 1 2 248.188 2.304 20 30 BEEDLO C=CCC(CC=C)C(=O)OCc1c[nH+]cn1C ZINC000758533429 585357076 /nfs/dbraw/zinc/35/70/76/585357076.db2.gz PZWSKHAGGDZUBT-UHFFFAOYSA-N 1 2 234.299 2.232 20 30 BEEDLO C#CCCOc1ccccc1-n1cc[nH+]c1 ZINC000760351539 585390974 /nfs/dbraw/zinc/39/09/74/585390974.db2.gz BTFZEBDLOVVTGB-UHFFFAOYSA-N 1 2 212.252 2.274 20 30 BEEDLO C#CC[N@@H+](Cc1cn2cccc(C)c2n1)C1CC1 ZINC000763955227 585457865 /nfs/dbraw/zinc/45/78/65/585457865.db2.gz KJVQWRUKQQKFDW-UHFFFAOYSA-N 1 2 239.322 2.240 20 30 BEEDLO C#CC[N@H+](Cc1cn2cccc(C)c2n1)C1CC1 ZINC000763955227 585457866 /nfs/dbraw/zinc/45/78/66/585457866.db2.gz KJVQWRUKQQKFDW-UHFFFAOYSA-N 1 2 239.322 2.240 20 30 BEEDLO CCON=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000767463117 585520609 /nfs/dbraw/zinc/52/06/09/585520609.db2.gz FPNXIMHLAJGMCK-UHFFFAOYSA-N 1 2 215.256 2.243 20 30 BEEDLO CO[NH+]=Cc1c(F)cccc1N1CCCC1 ZINC000767490760 585521124 /nfs/dbraw/zinc/52/11/24/585521124.db2.gz LKNVYNQGHPJBBF-UHFFFAOYSA-N 1 2 222.263 2.406 20 30 BEEDLO Cc1cc(C[NH2+]Cc2ccon2)ccc1C#N ZINC000767691332 585524802 /nfs/dbraw/zinc/52/48/02/585524802.db2.gz PRXNFDKVAGVCQU-UHFFFAOYSA-N 1 2 227.267 2.145 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000767992804 585529175 /nfs/dbraw/zinc/52/91/75/585529175.db2.gz FAZJBAGUMHNUGI-JTQLQIEISA-N 1 2 222.288 2.066 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000767992805 585529289 /nfs/dbraw/zinc/52/92/89/585529289.db2.gz FAZJBAGUMHNUGI-SNVBAGLBSA-N 1 2 222.288 2.066 20 30 BEEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(CO)o1 ZINC000768155260 585533010 /nfs/dbraw/zinc/53/30/10/585533010.db2.gz XIWNWDVWEVOVLS-UHFFFAOYSA-N 1 2 236.315 2.144 20 30 BEEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(CO)o1 ZINC000768155260 585533011 /nfs/dbraw/zinc/53/30/11/585533011.db2.gz XIWNWDVWEVOVLS-UHFFFAOYSA-N 1 2 236.315 2.144 20 30 BEEDLO C#CC[N@H+](Cc1cn[nH]c1)Cc1ccc(F)cc1 ZINC000769145241 585549947 /nfs/dbraw/zinc/54/99/47/585549947.db2.gz FQQWCQBQQREWDJ-UHFFFAOYSA-N 1 2 243.285 2.184 20 30 BEEDLO C#CC[N@@H+](Cc1cn[nH]c1)Cc1ccc(F)cc1 ZINC000769145241 585549948 /nfs/dbraw/zinc/54/99/48/585549948.db2.gz FQQWCQBQQREWDJ-UHFFFAOYSA-N 1 2 243.285 2.184 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cc(F)cc(F)c1 ZINC000769448368 585556781 /nfs/dbraw/zinc/55/67/81/585556781.db2.gz MKVBFDWKRMJWCH-UHFFFAOYSA-N 1 2 233.261 2.423 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cc(F)cc(F)c1 ZINC000769448368 585556782 /nfs/dbraw/zinc/55/67/82/585556782.db2.gz MKVBFDWKRMJWCH-UHFFFAOYSA-N 1 2 233.261 2.423 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1noc2c1CCCC2 ZINC000769960459 585567662 /nfs/dbraw/zinc/56/76/62/585567662.db2.gz BWWRWKKAQSCVBW-SNVBAGLBSA-N 1 2 218.300 2.007 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1noc2c1CCCC2 ZINC000769960459 585567663 /nfs/dbraw/zinc/56/76/63/585567663.db2.gz BWWRWKKAQSCVBW-SNVBAGLBSA-N 1 2 218.300 2.007 20 30 BEEDLO CCC(CC)NN=Cc1cccc2[nH+]ccn21 ZINC000771099863 585590418 /nfs/dbraw/zinc/59/04/18/585590418.db2.gz GJZZTPQRHJOOES-UHFFFAOYSA-N 1 2 230.315 2.446 20 30 BEEDLO CC(C)CNN=C1CCN(c2cccc[nH+]2)CC1 ZINC000771567058 585596467 /nfs/dbraw/zinc/59/64/67/585596467.db2.gz MVXMDUGVRRBNAI-UHFFFAOYSA-N 1 2 246.358 2.283 20 30 BEEDLO C=CC[N@H+](Cn1c2ccccc2oc1=O)C1CC1 ZINC000771639491 585598204 /nfs/dbraw/zinc/59/82/04/585598204.db2.gz AASNTRNOYHQHOM-UHFFFAOYSA-N 1 2 244.294 2.202 20 30 BEEDLO C=CC[N@@H+](Cn1c2ccccc2oc1=O)C1CC1 ZINC000771639491 585598205 /nfs/dbraw/zinc/59/82/05/585598205.db2.gz AASNTRNOYHQHOM-UHFFFAOYSA-N 1 2 244.294 2.202 20 30 BEEDLO C=CC[N@@H+]([C@@H](C)C(=O)OCCCC)C1CC1 ZINC000772382456 585613571 /nfs/dbraw/zinc/61/35/71/585613571.db2.gz RAQHLILWTNIPPT-NSHDSACASA-N 1 2 225.332 2.369 20 30 BEEDLO C=CC[N@H+]([C@@H](C)C(=O)OCCCC)C1CC1 ZINC000772382456 585613572 /nfs/dbraw/zinc/61/35/72/585613572.db2.gz RAQHLILWTNIPPT-NSHDSACASA-N 1 2 225.332 2.369 20 30 BEEDLO Cc1ccc(CCC=NNC2CCOCC2)c[nH+]1 ZINC000774388353 585657114 /nfs/dbraw/zinc/65/71/14/585657114.db2.gz OWNYWDCGOSTYNU-UHFFFAOYSA-N 1 2 247.342 2.077 20 30 BEEDLO C=CCCC(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000782147825 585808520 /nfs/dbraw/zinc/80/85/20/585808520.db2.gz USULJKDZLIOHKW-UHFFFAOYSA-N 1 2 234.299 2.157 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]\CC[C@@H]1CCOC1 ZINC000783685995 585840113 /nfs/dbraw/zinc/84/01/13/585840113.db2.gz UBPPFSGZRVOUBT-PDICVPPASA-N 1 2 249.310 2.246 20 30 BEEDLO CC1(C)CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)C1 ZINC000783863898 585845060 /nfs/dbraw/zinc/84/50/60/585845060.db2.gz SHNVRAWHPRMZTP-RYUDHWBXSA-N 1 2 248.374 2.413 20 30 BEEDLO Cc1c(Cl)cnc(-n2cc[nH+]c2)c1C#N ZINC000784147986 585851700 /nfs/dbraw/zinc/85/17/00/585851700.db2.gz OHRVUHIQXXVCFR-UHFFFAOYSA-N 1 2 218.647 2.101 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000784758358 585866010 /nfs/dbraw/zinc/86/60/10/585866010.db2.gz ZXRNYOLUSPDFOG-LBPRGKRZSA-N 1 2 236.315 2.419 20 30 BEEDLO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@](F)(C#N)C2)CCO1 ZINC000786579343 585895065 /nfs/dbraw/zinc/89/50/65/585895065.db2.gz PLDNMPUTGDYKHI-XQQFMLRXSA-N 1 2 240.322 2.129 20 30 BEEDLO CC[C@@H]1C[C@@H](C[N@H+]2CC[C@](F)(C#N)C2)CCO1 ZINC000786579343 585895066 /nfs/dbraw/zinc/89/50/66/585895066.db2.gz PLDNMPUTGDYKHI-XQQFMLRXSA-N 1 2 240.322 2.129 20 30 BEEDLO COc1nc2ccccc2cc1C[NH2+]CCC#N ZINC000787300539 585906574 /nfs/dbraw/zinc/90/65/74/585906574.db2.gz QKBZNESLBMTHNG-UHFFFAOYSA-N 1 2 241.294 2.247 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cnc(Cl)cn1 ZINC000788473984 585925210 /nfs/dbraw/zinc/92/52/10/585925210.db2.gz FJPKHTFJKKQDOX-UHFFFAOYSA-N 1 2 223.707 2.304 20 30 BEEDLO Cc1ccsc1C=NNc1[nH+]ccn1C ZINC000790300222 585962638 /nfs/dbraw/zinc/96/26/38/585962638.db2.gz PAHGSDZHAXKZQJ-UHFFFAOYSA-N 1 2 220.301 2.236 20 30 BEEDLO COCc1cccc(C=NNc2[nH+]ccn2C)c1 ZINC000790300605 585962692 /nfs/dbraw/zinc/96/26/92/585962692.db2.gz WISKQDVILMCKPR-UHFFFAOYSA-N 1 2 244.298 2.013 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1ccccc1F ZINC000790303622 585962918 /nfs/dbraw/zinc/96/29/18/585962918.db2.gz VVAXVFFWLAWHFS-UHFFFAOYSA-N 1 2 218.235 2.005 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1cc(C)oc1C ZINC000790305249 585963388 /nfs/dbraw/zinc/96/33/88/585963388.db2.gz GQYADYJAHYVLAO-UHFFFAOYSA-N 1 2 232.287 2.466 20 30 BEEDLO C=CCCCNC(=O)c1cccc2[nH+]ccn21 ZINC000791056721 585973518 /nfs/dbraw/zinc/97/35/18/585973518.db2.gz ODTAWVPZGUHMPD-UHFFFAOYSA-N 1 2 229.283 2.030 20 30 BEEDLO C=C[C@](C)(CC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792169305 585996850 /nfs/dbraw/zinc/99/68/50/585996850.db2.gz GEJIRPIWTKKAIT-CYBMUJFWSA-N 1 2 234.299 2.309 20 30 BEEDLO CC(=NN[C@@H](C)C(C)(C)C)c1cn(C)c(C)[nH+]1 ZINC000793110914 586010425 /nfs/dbraw/zinc/01/04/25/586010425.db2.gz CSJIDHWCEFRXJM-JTQLQIEISA-N 1 2 236.363 2.477 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NN[C@@H](C)C(C)(C)C ZINC000793113409 586010603 /nfs/dbraw/zinc/01/06/03/586010603.db2.gz DJGGBICEIXXMFA-VIFPVBQESA-N 1 2 208.309 2.076 20 30 BEEDLO O=C1c2ccc(F)cc2OC/C1=C/c1[nH]cc[nH+]1 ZINC000794727583 586047679 /nfs/dbraw/zinc/04/76/79/586047679.db2.gz ICXPRRISIVPUFA-YVMONPNESA-N 1 2 244.225 2.208 20 30 BEEDLO C=C(Cl)CN[C@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000794814647 586049395 /nfs/dbraw/zinc/04/93/95/586049395.db2.gz HIPHIHMLZZFIBW-NSHDSACASA-N 1 2 248.717 2.236 20 30 BEEDLO N#CCC[C@H](C#N)C[NH+]1CCC(F)(F)CC1 ZINC000796542574 586106819 /nfs/dbraw/zinc/10/68/19/586106819.db2.gz YIZTXHNSBPHPSL-SNVBAGLBSA-N 1 2 227.258 2.161 20 30 BEEDLO C=C(Cl)C[N@@H+](CCO)Cc1ccc(C)o1 ZINC000796559397 586106940 /nfs/dbraw/zinc/10/69/40/586106940.db2.gz QKBUYMPRZGZIKQ-UHFFFAOYSA-N 1 2 229.707 2.135 20 30 BEEDLO C=C(Cl)C[N@H+](CCO)Cc1ccc(C)o1 ZINC000796559397 586106941 /nfs/dbraw/zinc/10/69/41/586106941.db2.gz QKBUYMPRZGZIKQ-UHFFFAOYSA-N 1 2 229.707 2.135 20 30 BEEDLO COc1cccc(C(=O)/C=C/c2cn(C)c[nH+]2)c1 ZINC000798232228 586141204 /nfs/dbraw/zinc/14/12/04/586141204.db2.gz OVTABGBXWRLDLM-VOTSOKGWSA-N 1 2 242.278 2.325 20 30 BEEDLO C#C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)OCC)C(C)C ZINC000798398460 586143440 /nfs/dbraw/zinc/14/34/40/586143440.db2.gz QEPGKTKYLGWCFE-OLZOCXBDSA-N 1 2 239.359 2.212 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000800329341 586212257 /nfs/dbraw/zinc/21/22/57/586212257.db2.gz IWBKGXJDRZJCPE-RISCZKNCSA-N 1 2 245.322 2.333 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000800329341 586212259 /nfs/dbraw/zinc/21/22/59/586212259.db2.gz IWBKGXJDRZJCPE-RISCZKNCSA-N 1 2 245.322 2.333 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000800349924 586212966 /nfs/dbraw/zinc/21/29/66/586212966.db2.gz XVBZVMXSYAJEPP-ZIAGYGMSSA-N 1 2 245.322 2.031 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000800349924 586212967 /nfs/dbraw/zinc/21/29/67/586212967.db2.gz XVBZVMXSYAJEPP-ZIAGYGMSSA-N 1 2 245.322 2.031 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cccc(OC)c1F ZINC000800510765 586223545 /nfs/dbraw/zinc/22/35/45/586223545.db2.gz UAZOLXNEWOZIRU-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cccc(OC)c1F ZINC000800510765 586223546 /nfs/dbraw/zinc/22/35/46/586223546.db2.gz UAZOLXNEWOZIRU-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccc(Cl)nc2)c1 ZINC000800795058 586229326 /nfs/dbraw/zinc/22/93/26/586229326.db2.gz XSMPWBIKRLGPAG-ONEGZZNKSA-N 1 2 247.685 2.365 20 30 BEEDLO CCc1cnccc1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000800794406 586229566 /nfs/dbraw/zinc/22/95/66/586229566.db2.gz FPAQKOHSECBOAI-PLNGDYQASA-N 1 2 241.294 2.274 20 30 BEEDLO C=CC[N@H+](Cc1ncnn1C(C)(C)C)C(C)C ZINC000801510873 586259703 /nfs/dbraw/zinc/25/97/03/586259703.db2.gz IDJHNYMDMBLMQQ-UHFFFAOYSA-N 1 2 236.363 2.430 20 30 BEEDLO C=CC[N@@H+](Cc1ncnn1C(C)(C)C)C(C)C ZINC000801510873 586259705 /nfs/dbraw/zinc/25/97/05/586259705.db2.gz IDJHNYMDMBLMQQ-UHFFFAOYSA-N 1 2 236.363 2.430 20 30 BEEDLO Nc1ccc(C=[NH+]Nc2ncccc2Cl)cn1 ZINC000807964510 586453657 /nfs/dbraw/zinc/45/36/57/586453657.db2.gz KHEPEJSSORWXQZ-UHFFFAOYSA-N 1 2 247.689 2.158 20 30 BEEDLO Nc1ccc(CN=Nc2ncccc2Cl)c[nH+]1 ZINC000807964510 586453659 /nfs/dbraw/zinc/45/36/59/586453659.db2.gz KHEPEJSSORWXQZ-UHFFFAOYSA-N 1 2 247.689 2.158 20 30 BEEDLO C#Cc1ccc(C[NH2+]Cc2nnc(C)s2)cc1 ZINC000809637057 586510473 /nfs/dbraw/zinc/51/04/73/586510473.db2.gz OAQOLUPJODDWNG-UHFFFAOYSA-N 1 2 243.335 2.118 20 30 BEEDLO C#Cc1ccc(CNc2ccc(CO)c[nH+]2)cc1 ZINC000811501238 586560142 /nfs/dbraw/zinc/56/01/42/586560142.db2.gz IBUKDOZMKKCINE-UHFFFAOYSA-N 1 2 238.290 2.167 20 30 BEEDLO COc1ccc(F)cc1C=NNc1[nH+]ccn1C ZINC000812229665 586570950 /nfs/dbraw/zinc/57/09/50/586570950.db2.gz GFKKACAXOMYPAY-UHFFFAOYSA-N 1 2 248.261 2.014 20 30 BEEDLO C#CCCC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000813858434 586608307 /nfs/dbraw/zinc/60/83/07/586608307.db2.gz ZOMGDSCRBOSIEI-CYBMUJFWSA-N 1 2 246.358 2.429 20 30 BEEDLO NC(=[NH+]OC1CCC1)c1ccc(F)cc1 ZINC000814265184 586620439 /nfs/dbraw/zinc/62/04/39/586620439.db2.gz OCUFTSDZWMFVMJ-UHFFFAOYSA-N 1 2 208.236 2.015 20 30 BEEDLO CC(=[NH+]Nc1ccc(F)cn1)c1ccc(N)nc1 ZINC000814843130 586638337 /nfs/dbraw/zinc/63/83/37/586638337.db2.gz ZQXVSRWRLZZRAC-UHFFFAOYSA-N 1 2 245.261 2.034 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1ccc2oncc2c1 ZINC000814918338 586650753 /nfs/dbraw/zinc/65/07/53/586650753.db2.gz LZPLEDPSMZLKQX-UHFFFAOYSA-N 1 2 241.254 2.007 20 30 BEEDLO CCCC(=NNc1[nH+]ccn1C)c1cccnc1 ZINC000814918966 586650963 /nfs/dbraw/zinc/65/09/63/586650963.db2.gz KEOCHNMDEVUVMH-UHFFFAOYSA-N 1 2 243.314 2.431 20 30 BEEDLO C#CCO[NH+]=C1CC(C)(C)Cc2nc(N)sc21 ZINC000814936131 586654699 /nfs/dbraw/zinc/65/46/99/586654699.db2.gz AKLXZJQNLQIYFL-UHFFFAOYSA-N 1 2 249.339 2.052 20 30 BEEDLO C#CCOc1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000815147593 586670106 /nfs/dbraw/zinc/67/01/06/586670106.db2.gz ZRXLRFWWTXIBIK-UHFFFAOYSA-N 1 2 239.265 2.443 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cc(OC)ccc1F ZINC000816513381 586738154 /nfs/dbraw/zinc/73/81/54/586738154.db2.gz OTICVVNXNGVTPC-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cc(OC)ccc1F ZINC000816513381 586738156 /nfs/dbraw/zinc/73/81/56/586738156.db2.gz OTICVVNXNGVTPC-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccns1 ZINC000860051428 589077451 /nfs/dbraw/zinc/07/74/51/589077451.db2.gz NOHPTWJUMZFAEF-NXEZZACHSA-N 1 2 234.328 2.237 20 30 BEEDLO C=C[C@](C)(CC)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819782566 586994499 /nfs/dbraw/zinc/99/44/99/586994499.db2.gz OKWWVCJXOMNLNN-GZMMTYOYSA-N 1 2 226.345 2.196 20 30 BEEDLO CC(C)n1c[nH+]cc1CN=Nc1ccc(F)cn1 ZINC000819807685 586996077 /nfs/dbraw/zinc/99/60/77/586996077.db2.gz JWYMMHOXBUSIIY-UHFFFAOYSA-N 1 2 247.277 2.444 20 30 BEEDLO CC(C)n1c[nH+]cc1C=NNC1CCCC1 ZINC000819807456 586996183 /nfs/dbraw/zinc/99/61/83/586996183.db2.gz HLMKTVNUCDOAQH-UHFFFAOYSA-N 1 2 220.320 2.330 20 30 BEEDLO CC(C)n1c[nH+]cc1CN=Nc1cccc(F)n1 ZINC000819812669 586997045 /nfs/dbraw/zinc/99/70/45/586997045.db2.gz GATNWMVEKJTPQS-UHFFFAOYSA-N 1 2 247.277 2.444 20 30 BEEDLO CC(C)CNN=Cc1c[nH+]cn1C(C)C ZINC000819813572 586998122 /nfs/dbraw/zinc/99/81/22/586998122.db2.gz ZVXMLCZDTUVMSV-UHFFFAOYSA-N 1 2 208.309 2.044 20 30 BEEDLO C=C[C@H](CC)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000820191863 587033759 /nfs/dbraw/zinc/03/37/59/587033759.db2.gz SHZCEGXXLOQAMR-NXEZZACHSA-N 1 2 221.304 2.189 20 30 BEEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000820947590 587083485 /nfs/dbraw/zinc/08/34/85/587083485.db2.gz FPTNYRALKCSIRK-WDEREUQCSA-N 1 2 233.315 2.046 20 30 BEEDLO C=C(C)C(C)(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000821452306 587120664 /nfs/dbraw/zinc/12/06/64/587120664.db2.gz VGLPWKWPCGBUAC-UHFFFAOYSA-N 1 2 234.299 2.309 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000823185224 587206899 /nfs/dbraw/zinc/20/68/99/587206899.db2.gz PVMCVVCFFCIZRE-LLVKDONJSA-N 1 2 216.756 2.011 20 30 BEEDLO C=C(Cl)C[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000823185224 587206898 /nfs/dbraw/zinc/20/68/98/587206898.db2.gz PVMCVVCFFCIZRE-LLVKDONJSA-N 1 2 216.756 2.011 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(C)cc1OC ZINC000823453347 587222812 /nfs/dbraw/zinc/22/28/12/587222812.db2.gz MEKOQRYCSUSRMC-UHFFFAOYSA-N 1 2 227.307 2.072 20 30 BEEDLO C#CC[N@H+]1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000823510082 587228670 /nfs/dbraw/zinc/22/86/70/587228670.db2.gz WDIZFJPYYJRNEG-NEPJUHHUSA-N 1 2 237.343 2.062 20 30 BEEDLO C#CC[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000823510082 587228671 /nfs/dbraw/zinc/22/86/71/587228671.db2.gz WDIZFJPYYJRNEG-NEPJUHHUSA-N 1 2 237.343 2.062 20 30 BEEDLO C#CC[N@H+]1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000823510084 587228692 /nfs/dbraw/zinc/22/86/92/587228692.db2.gz WDIZFJPYYJRNEG-RYUDHWBXSA-N 1 2 237.343 2.062 20 30 BEEDLO C#CC[N@@H+]1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000823510084 587228693 /nfs/dbraw/zinc/22/86/93/587228693.db2.gz WDIZFJPYYJRNEG-RYUDHWBXSA-N 1 2 237.343 2.062 20 30 BEEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000825544142 587324359 /nfs/dbraw/zinc/32/43/59/587324359.db2.gz GFCCYCRXQHOILR-MNOVXSKESA-N 1 2 235.331 2.200 20 30 BEEDLO C=C[C@H](CC)CC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000825544141 587324424 /nfs/dbraw/zinc/32/44/24/587324424.db2.gz GFCCYCRXQHOILR-GHMZBOCLSA-N 1 2 235.331 2.200 20 30 BEEDLO N#CC1(C[NH2+]Cc2cnccn2)CCCCC1 ZINC000827383441 587379142 /nfs/dbraw/zinc/37/91/42/587379142.db2.gz GCASCNKOVQSNAD-UHFFFAOYSA-N 1 2 230.315 2.040 20 30 BEEDLO C#C[C@@H](C)N(C)c1nc(NC)c2ccccc2[nH+]1 ZINC000828036760 587417144 /nfs/dbraw/zinc/41/71/44/587417144.db2.gz OJBQVJMYVJBYCW-SNVBAGLBSA-N 1 2 240.310 2.129 20 30 BEEDLO C=CCCC(=O)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829085139 587482502 /nfs/dbraw/zinc/48/25/02/587482502.db2.gz VYWYEKNZNBENAM-UHFFFAOYSA-N 1 2 245.326 2.140 20 30 BEEDLO C=CC(C)(C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000832715001 587679308 /nfs/dbraw/zinc/67/93/08/587679308.db2.gz VJVAALMNYMCMIX-UHFFFAOYSA-N 1 2 235.331 2.061 20 30 BEEDLO C=CC(C)(C)CCCNC(=O)CCn1cc[nH+]c1 ZINC000832721763 587679575 /nfs/dbraw/zinc/67/95/75/587679575.db2.gz NVHJFWDFESAVMV-UHFFFAOYSA-N 1 2 249.358 2.382 20 30 BEEDLO C=CCC(C)(C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833271084 587703996 /nfs/dbraw/zinc/70/39/96/587703996.db2.gz FFYBPWZKBVHBNZ-SNVBAGLBSA-N 1 2 233.315 2.046 20 30 BEEDLO CC(C)ON=C1CCN(c2cccc[nH+]2)CC1 ZINC000835004530 587777375 /nfs/dbraw/zinc/77/73/75/587777375.db2.gz QULSQPBZHLXBDS-UHFFFAOYSA-N 1 2 233.315 2.463 20 30 BEEDLO CC1=CCC[C@@H](C)[C@@H]1C=[NH+]n1ccnn1 ZINC000835010642 587777512 /nfs/dbraw/zinc/77/75/12/587777512.db2.gz FCINJPDUJNYLEL-GHMZBOCLSA-N 1 2 204.277 2.104 20 30 BEEDLO C#CCC(C)(C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836953747 587843669 /nfs/dbraw/zinc/84/36/69/587843669.db2.gz HLQJXAOWEAHNCA-WDEREUQCSA-N 1 2 245.326 2.055 20 30 BEEDLO C#CCCCCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000836951471 587843685 /nfs/dbraw/zinc/84/36/85/587843685.db2.gz XIRUGXYROIRHBR-GFCCVEGCSA-N 1 2 247.342 2.274 20 30 BEEDLO CC(C)(C)C#CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000837510454 587878662 /nfs/dbraw/zinc/87/86/62/587878662.db2.gz JIIJVQLCIKNMDI-LLVKDONJSA-N 1 2 245.326 2.123 20 30 BEEDLO Oc1ccccc1/C=[NH+]\CC1=CCOCC1 ZINC000840707757 587917201 /nfs/dbraw/zinc/91/72/01/587917201.db2.gz RXAORXRHYUBLOD-UVTDQMKNSA-N 1 2 217.268 2.158 20 30 BEEDLO C[C@H](Cc1cnn(C)c1)/[NH+]=C/c1ccccc1O ZINC000840711291 587917538 /nfs/dbraw/zinc/91/75/38/587917538.db2.gz YCZWRXIUGRUQEM-BTAWCLGRSA-N 1 2 243.310 2.176 20 30 BEEDLO COC1CCC(/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000840711881 587917824 /nfs/dbraw/zinc/91/78/24/587917824.db2.gz SYHWQLNGZMBGFX-OQLLNIDSSA-N 1 2 249.310 2.474 20 30 BEEDLO CCn1c[nH+]cc1C=NN[C@@H]1CCCC1(C)C ZINC000841636741 587964416 /nfs/dbraw/zinc/96/44/16/587964416.db2.gz XZJFIPKYTLWZTF-GFCCVEGCSA-N 1 2 234.347 2.405 20 30 BEEDLO CCn1c[nH+]cc1C=NN[C@@H](C)C(C)(C)C ZINC000841641994 587965636 /nfs/dbraw/zinc/96/56/36/587965636.db2.gz CYBIKJCIZRKIID-JTQLQIEISA-N 1 2 222.336 2.261 20 30 BEEDLO CC[C@H]1CCCC[C@H]1C=[NH+]n1ccnn1 ZINC000842535637 588035792 /nfs/dbraw/zinc/03/57/92/588035792.db2.gz HSOHKUPTWWMNAK-QWRGUYRKSA-N 1 2 206.293 2.328 20 30 BEEDLO CCCON=Cc1c[nH+]c2ccc(C)cn12 ZINC000842551707 588041528 /nfs/dbraw/zinc/04/15/28/588041528.db2.gz BWZVYMIPNYERCB-UHFFFAOYSA-N 1 2 217.272 2.403 20 30 BEEDLO C=CCCC(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC000842891434 588070943 /nfs/dbraw/zinc/07/09/43/588070943.db2.gz OTOOLOUIPVGXMR-UHFFFAOYSA-N 1 2 246.310 2.027 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC000844321312 588184013 /nfs/dbraw/zinc/18/40/13/588184013.db2.gz RBYNVTWHWPDWEN-UHFFFAOYSA-N 1 2 231.343 2.063 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC000844321312 588184014 /nfs/dbraw/zinc/18/40/14/588184014.db2.gz RBYNVTWHWPDWEN-UHFFFAOYSA-N 1 2 231.343 2.063 20 30 BEEDLO CC(C)C(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000844473260 588198108 /nfs/dbraw/zinc/19/81/08/588198108.db2.gz XGPYKEBVPPDLJK-UHFFFAOYSA-N 1 2 242.322 2.489 20 30 BEEDLO CC(C)C(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000844473260 588198109 /nfs/dbraw/zinc/19/81/09/588198109.db2.gz XGPYKEBVPPDLJK-UHFFFAOYSA-N 1 2 242.322 2.489 20 30 BEEDLO C=C[C@@H](C)O[NH+]=C(C)c1csc(N)n1 ZINC000844626092 588211144 /nfs/dbraw/zinc/21/11/44/588211144.db2.gz XPBKAIIZOFWYLO-ZCFIWIBFSA-N 1 2 211.290 2.040 20 30 BEEDLO C[C@@H](CC(=O)OCC1(C#N)CCC1)n1cc[nH+]c1 ZINC000845287109 588225897 /nfs/dbraw/zinc/22/58/97/588225897.db2.gz TYNIJPFZQFAQEH-NSHDSACASA-N 1 2 247.298 2.071 20 30 BEEDLO C=C(C)CCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845477568 588230063 /nfs/dbraw/zinc/23/00/63/588230063.db2.gz RFKPJRDJFKAFEA-UHFFFAOYSA-N 1 2 248.326 2.271 20 30 BEEDLO C#CC[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000845483813 588230272 /nfs/dbraw/zinc/23/02/72/588230272.db2.gz OJDMBLRMRVAKIX-WCQYABFASA-N 1 2 246.310 2.179 20 30 BEEDLO C=C[C@H](CC)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845507288 588231336 /nfs/dbraw/zinc/23/13/36/588231336.db2.gz ZKKBOJTUPAGHFH-GHMZBOCLSA-N 1 2 222.288 2.342 20 30 BEEDLO C[C@H](CC(=O)O[C@H](C#N)C(C)(C)C)n1cc[nH+]c1 ZINC000845512460 588231429 /nfs/dbraw/zinc/23/14/29/588231429.db2.gz XXYDIGLDZBIWMN-GHMZBOCLSA-N 1 2 249.314 2.316 20 30 BEEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000847022445 588303250 /nfs/dbraw/zinc/30/32/50/588303250.db2.gz HSFJHYMXAJWDKS-QWRGUYRKSA-N 1 2 245.326 2.353 20 30 BEEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000847022445 588303251 /nfs/dbraw/zinc/30/32/51/588303251.db2.gz HSFJHYMXAJWDKS-QWRGUYRKSA-N 1 2 245.326 2.353 20 30 BEEDLO Cc1cc(C=NNCCCn2cc[nH+]c2)c(C)o1 ZINC000848418924 588382381 /nfs/dbraw/zinc/38/23/81/588382381.db2.gz SACOXBPHSOAMAP-UHFFFAOYSA-N 1 2 246.314 2.107 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cn2ncc(Cl)c2C)C1 ZINC000848492981 588386906 /nfs/dbraw/zinc/38/69/06/588386906.db2.gz DXBJBZSZFQFBSU-LLVKDONJSA-N 1 2 237.734 2.148 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cn2ncc(Cl)c2C)C1 ZINC000848492981 588386907 /nfs/dbraw/zinc/38/69/07/588386907.db2.gz DXBJBZSZFQFBSU-LLVKDONJSA-N 1 2 237.734 2.148 20 30 BEEDLO COCC[N@H+](CCC#N)CCc1cccs1 ZINC000108144009 588440545 /nfs/dbraw/zinc/44/05/45/588440545.db2.gz PVZNUKIGDSVUFU-UHFFFAOYSA-N 1 2 238.356 2.153 20 30 BEEDLO COCC[N@@H+](CCC#N)CCc1cccs1 ZINC000108144009 588440547 /nfs/dbraw/zinc/44/05/47/588440547.db2.gz PVZNUKIGDSVUFU-UHFFFAOYSA-N 1 2 238.356 2.153 20 30 BEEDLO C[C@H](CC#N)C(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000851096774 588590543 /nfs/dbraw/zinc/59/05/43/588590543.db2.gz RIVYIXCYOAXXLJ-SECBINFHSA-N 1 2 249.314 2.300 20 30 BEEDLO C=CC[N@H+](CCc1ccccc1)Cc1cnon1 ZINC000851738341 588620836 /nfs/dbraw/zinc/62/08/36/588620836.db2.gz ZNBUAYMACOTAMQ-UHFFFAOYSA-N 1 2 243.310 2.300 20 30 BEEDLO C=CC[N@@H+](CCc1ccccc1)Cc1cnon1 ZINC000851738341 588620837 /nfs/dbraw/zinc/62/08/37/588620837.db2.gz ZNBUAYMACOTAMQ-UHFFFAOYSA-N 1 2 243.310 2.300 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1noc(CCCC)n1 ZINC000852099855 588662749 /nfs/dbraw/zinc/66/27/49/588662749.db2.gz QOKUXWQMGIPBGX-CYBMUJFWSA-N 1 2 235.331 2.304 20 30 BEEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000852102113 588663192 /nfs/dbraw/zinc/66/31/92/588663192.db2.gz VXFGJRVXINVWNE-CMPLNLGQSA-N 1 2 206.289 2.436 20 30 BEEDLO C=CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852324681 588678927 /nfs/dbraw/zinc/67/89/27/588678927.db2.gz BWNQFENUKCVEOY-AWEZNQCLSA-N 1 2 227.311 2.125 20 30 BEEDLO C=CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852324681 588678928 /nfs/dbraw/zinc/67/89/28/588678928.db2.gz BWNQFENUKCVEOY-AWEZNQCLSA-N 1 2 227.311 2.125 20 30 BEEDLO C=CC[N@H+](CC(=C)Br)[C@H](C)COC ZINC000852357442 588679799 /nfs/dbraw/zinc/67/97/99/588679799.db2.gz BNDCZPBPECQHFC-SNVBAGLBSA-N 1 2 248.164 2.418 20 30 BEEDLO C=CC[N@@H+](CC(=C)Br)[C@H](C)COC ZINC000852357442 588679800 /nfs/dbraw/zinc/67/98/00/588679800.db2.gz BNDCZPBPECQHFC-SNVBAGLBSA-N 1 2 248.164 2.418 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000852684689 588695865 /nfs/dbraw/zinc/69/58/65/588695865.db2.gz MJRRPWMEIMEVKM-IUCAKERBSA-N 1 2 233.142 2.416 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000852684689 588695866 /nfs/dbraw/zinc/69/58/66/588695866.db2.gz MJRRPWMEIMEVKM-IUCAKERBSA-N 1 2 233.142 2.416 20 30 BEEDLO Cc1c(F)nccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000862228829 589195905 /nfs/dbraw/zinc/19/59/05/589195905.db2.gz YKPYEFOYRCGKKH-VIFPVBQESA-N 1 2 221.279 2.121 20 30 BEEDLO Cc1c(F)nccc1C[N@H+](C)C[C@@H](C)C#N ZINC000862228829 589195906 /nfs/dbraw/zinc/19/59/06/589195906.db2.gz YKPYEFOYRCGKKH-VIFPVBQESA-N 1 2 221.279 2.121 20 30 BEEDLO Cc1c(F)nccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000862419238 589211760 /nfs/dbraw/zinc/21/17/60/589211760.db2.gz PIFIDECFWPGELJ-CYBMUJFWSA-N 1 2 233.290 2.265 20 30 BEEDLO Cc1c(F)nccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000862419238 589211762 /nfs/dbraw/zinc/21/17/62/589211762.db2.gz PIFIDECFWPGELJ-CYBMUJFWSA-N 1 2 233.290 2.265 20 30 BEEDLO Cc1[nH]c(CN=Nc2cccc(C)n2)[nH+]c1C ZINC000863161093 589265067 /nfs/dbraw/zinc/26/50/67/589265067.db2.gz XCPGYWVQJPMTEN-UHFFFAOYSA-N 1 2 229.287 2.176 20 30 BEEDLO CC(C)[C@@H]1CC(=[NH+]n2cccn2)CS1 ZINC000863164042 589266544 /nfs/dbraw/zinc/26/65/44/589266544.db2.gz XZAVYVPBAMBWPC-JTQLQIEISA-N 1 2 209.318 2.249 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2C[C@@H](OC)C2)c1 ZINC000864345603 589354063 /nfs/dbraw/zinc/35/40/63/589354063.db2.gz ATLQIOZKKFYDCX-TWHNFVEKSA-N 1 2 249.310 2.245 20 30 BEEDLO CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866212522 589480871 /nfs/dbraw/zinc/48/08/71/589480871.db2.gz SIULERHEMPMHBR-VIFPVBQESA-N 1 2 204.273 2.324 20 30 BEEDLO CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866262646 589483497 /nfs/dbraw/zinc/48/34/97/589483497.db2.gz DQAGIEGICLQMKL-HZMBPMFUSA-N 1 2 248.326 2.075 20 30 BEEDLO C=C[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866283670 589484332 /nfs/dbraw/zinc/48/43/32/589484332.db2.gz ZDRDMZHYBMLJIQ-VHSXEESVSA-N 1 2 216.284 2.489 20 30 BEEDLO C[C@@H]([NH2+]C1CCC1)c1cccc(C#N)c1O ZINC000866294139 589484489 /nfs/dbraw/zinc/48/44/89/589484489.db2.gz MCBXWEHJNOUYHW-SECBINFHSA-N 1 2 216.284 2.467 20 30 BEEDLO C[C@H]([NH2+]CCCF)c1cccc(C#N)c1O ZINC000866306525 589485343 /nfs/dbraw/zinc/48/53/43/589485343.db2.gz IRXUODYSKHUSQC-VIFPVBQESA-N 1 2 222.263 2.274 20 30 BEEDLO N#CCCC[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866335192 589486679 /nfs/dbraw/zinc/48/66/79/589486679.db2.gz FRGIXZVDVKCWHB-AAEUAGOBSA-N 1 2 234.274 2.352 20 30 BEEDLO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866335329 589486847 /nfs/dbraw/zinc/48/68/47/589486847.db2.gz IGRCZLBQLIYFKG-DCAQKATOSA-N 1 2 248.326 2.074 20 30 BEEDLO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc(C#N)c1O ZINC000866380798 589488942 /nfs/dbraw/zinc/48/89/42/589488942.db2.gz DSHBORHAJTVZPE-SCVCMEIPSA-N 1 2 246.310 2.092 20 30 BEEDLO C[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc(C#N)c1O ZINC000866379733 589489064 /nfs/dbraw/zinc/48/90/64/589489064.db2.gz RRURETNWEGKFCX-BXKDBHETSA-N 1 2 228.295 2.467 20 30 BEEDLO C=CC[N@@H+](Cc1cccs1)CC1OCCO1 ZINC000122148027 589557025 /nfs/dbraw/zinc/55/70/25/589557025.db2.gz GCMZSDLEOGRVHH-UHFFFAOYSA-N 1 2 239.340 2.109 20 30 BEEDLO C=CC[N@H+](Cc1cccs1)CC1OCCO1 ZINC000122148027 589557026 /nfs/dbraw/zinc/55/70/26/589557026.db2.gz GCMZSDLEOGRVHH-UHFFFAOYSA-N 1 2 239.340 2.109 20 30 BEEDLO CC[C@H](C)CON=Cc1c(C)cc[nH+]c1N ZINC000872376432 589925758 /nfs/dbraw/zinc/92/57/58/589925758.db2.gz GOEXESADSDKTFS-VIFPVBQESA-N 1 2 221.304 2.369 20 30 BEEDLO C=CC[C@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000125233974 590157173 /nfs/dbraw/zinc/15/71/73/590157173.db2.gz ZAKMQEYCGYYFCO-VHSXEESVSA-N 1 2 213.321 2.271 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(F)ccc1N(C)C ZINC000876617163 590222312 /nfs/dbraw/zinc/22/23/12/590222312.db2.gz GWIFEBLPCXOPGU-NSHDSACASA-N 1 2 249.333 2.483 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(F)ccc1N(C)C ZINC000876617163 590222313 /nfs/dbraw/zinc/22/23/13/590222313.db2.gz GWIFEBLPCXOPGU-NSHDSACASA-N 1 2 249.333 2.483 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ccc(F)c(F)c1O ZINC000876639817 590224909 /nfs/dbraw/zinc/22/49/09/590224909.db2.gz UNYJRZGLJFIMMJ-UHFFFAOYSA-N 1 2 225.238 2.126 20 30 BEEDLO C#CC[N@H+](CC)Cc1ccc(F)c(F)c1O ZINC000876639817 590224910 /nfs/dbraw/zinc/22/49/10/590224910.db2.gz UNYJRZGLJFIMMJ-UHFFFAOYSA-N 1 2 225.238 2.126 20 30 BEEDLO C[C@H](CCC#N)C[NH2+]c1ccc(OCCO)cc1 ZINC000876857979 590249785 /nfs/dbraw/zinc/24/97/85/590249785.db2.gz LOHRRWMCXHMVEE-GFCCVEGCSA-N 1 2 248.326 2.409 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1cc(OC)cnc1F ZINC000877165871 590294815 /nfs/dbraw/zinc/29/48/15/590294815.db2.gz SJXYCYUFNYEDCR-UHFFFAOYSA-N 1 2 224.279 2.237 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1cc(OC)cnc1F ZINC000877165871 590294816 /nfs/dbraw/zinc/29/48/16/590294816.db2.gz SJXYCYUFNYEDCR-UHFFFAOYSA-N 1 2 224.279 2.237 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877363603 590319073 /nfs/dbraw/zinc/31/90/73/590319073.db2.gz GIKVGLPZTXWLPC-LLVKDONJSA-N 1 2 248.717 2.389 20 30 BEEDLO C#CCCCCCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000877468078 590333456 /nfs/dbraw/zinc/33/34/56/590333456.db2.gz YESQHFLSRCHYGA-LBPRGKRZSA-N 1 2 245.313 2.272 20 30 BEEDLO C#CCCCCCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000877468078 590333459 /nfs/dbraw/zinc/33/34/59/590333459.db2.gz YESQHFLSRCHYGA-LBPRGKRZSA-N 1 2 245.313 2.272 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877480541 590337099 /nfs/dbraw/zinc/33/70/99/590337099.db2.gz YTWLXIUPDMMWQS-SECBINFHSA-N 1 2 233.702 2.060 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877480541 590337102 /nfs/dbraw/zinc/33/71/02/590337102.db2.gz YTWLXIUPDMMWQS-SECBINFHSA-N 1 2 233.702 2.060 20 30 BEEDLO N#Cc1cccc(C[NH+]2CCC(F)(F)CC2)n1 ZINC000877492930 590339599 /nfs/dbraw/zinc/33/95/99/590339599.db2.gz XVIBMDOJMBPKEY-UHFFFAOYSA-N 1 2 237.253 2.184 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1csc(C)c1C ZINC000877585663 590367528 /nfs/dbraw/zinc/36/75/28/590367528.db2.gz LYSDUWNHICJWSS-CYBMUJFWSA-N 1 2 235.352 2.199 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1csc(C)c1C ZINC000877585663 590367531 /nfs/dbraw/zinc/36/75/31/590367531.db2.gz LYSDUWNHICJWSS-CYBMUJFWSA-N 1 2 235.352 2.199 20 30 BEEDLO C#CCCCCCC[N@@H+]1Cc2cnn(C)c2C1 ZINC000877632725 590378793 /nfs/dbraw/zinc/37/87/93/590378793.db2.gz LBHFFBCYBAIUDW-UHFFFAOYSA-N 1 2 231.343 2.319 20 30 BEEDLO C#CCCCCCC[N@H+]1Cc2cnn(C)c2C1 ZINC000877632725 590378796 /nfs/dbraw/zinc/37/87/96/590378796.db2.gz LBHFFBCYBAIUDW-UHFFFAOYSA-N 1 2 231.343 2.319 20 30 BEEDLO C=C(Cl)C[C@@H]([NH2+]CC(C)C)C(=O)OCC ZINC000877671708 590389016 /nfs/dbraw/zinc/38/90/16/590389016.db2.gz NICBGQNZAZRRNL-SNVBAGLBSA-N 1 2 233.739 2.306 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(C)c(Cl)n1 ZINC000878153887 590508256 /nfs/dbraw/zinc/50/82/56/590508256.db2.gz YBVJLLDRQAGYSP-UHFFFAOYSA-N 1 2 232.714 2.112 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@H+](CC)Cc1ccncc1 ZINC000878331254 590548401 /nfs/dbraw/zinc/54/84/01/590548401.db2.gz UBJMKUPTZKEYLT-ZDUSSCGKSA-N 1 2 248.326 2.021 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccncc1 ZINC000878331254 590548404 /nfs/dbraw/zinc/54/84/04/590548404.db2.gz UBJMKUPTZKEYLT-ZDUSSCGKSA-N 1 2 248.326 2.021 20 30 BEEDLO C=CC[N@@H+](C)Cc1nccc(C)c1C(=O)OCC ZINC000878460866 590570991 /nfs/dbraw/zinc/57/09/91/590570991.db2.gz COWURDNIVYYHFY-UHFFFAOYSA-N 1 2 248.326 2.185 20 30 BEEDLO C=CC[N@H+](C)Cc1nccc(C)c1C(=O)OCC ZINC000878460866 590570993 /nfs/dbraw/zinc/57/09/93/590570993.db2.gz COWURDNIVYYHFY-UHFFFAOYSA-N 1 2 248.326 2.185 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878514476 590584957 /nfs/dbraw/zinc/58/49/57/590584957.db2.gz VUSFQHXMGYSWQR-UHFFFAOYSA-N 1 2 232.327 2.397 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc2c(o1)CCCC2 ZINC000878514476 590584958 /nfs/dbraw/zinc/58/49/58/590584958.db2.gz VUSFQHXMGYSWQR-UHFFFAOYSA-N 1 2 232.327 2.397 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1scnc1Cl ZINC000878516645 590585097 /nfs/dbraw/zinc/58/50/97/590585097.db2.gz JWGBNIWFLMMPLI-ZETCQYMHSA-N 1 2 214.721 2.250 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1scnc1Cl ZINC000878516645 590585098 /nfs/dbraw/zinc/58/50/98/590585098.db2.gz JWGBNIWFLMMPLI-ZETCQYMHSA-N 1 2 214.721 2.250 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H]1CCC2(CCC2)O1 ZINC000878639236 590596783 /nfs/dbraw/zinc/59/67/83/590596783.db2.gz FJFACJMXIWCOJY-CYBMUJFWSA-N 1 2 234.343 2.490 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H]1CCC2(CCC2)O1 ZINC000878639236 590596785 /nfs/dbraw/zinc/59/67/85/590596785.db2.gz FJFACJMXIWCOJY-CYBMUJFWSA-N 1 2 234.343 2.490 20 30 BEEDLO C=CC[C@@H]([NH2+]C1(C2CCC2)CC1)C(=O)OC ZINC000878808099 590625930 /nfs/dbraw/zinc/62/59/30/590625930.db2.gz YEVAUMUNNBFCLA-LLVKDONJSA-N 1 2 223.316 2.026 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cncc(C(F)(F)F)c1 ZINC000878819711 590627844 /nfs/dbraw/zinc/62/78/44/590627844.db2.gz AZHXILRPZCEFLZ-MRVPVSSYSA-N 1 2 243.232 2.492 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cncc(C(F)(F)F)c1 ZINC000878819712 590627885 /nfs/dbraw/zinc/62/78/85/590627885.db2.gz AZHXILRPZCEFLZ-QMMMGPOBSA-N 1 2 243.232 2.492 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](CC(F)(F)CC)C1 ZINC000878844015 590631749 /nfs/dbraw/zinc/63/17/49/590631749.db2.gz OOTIHJBGZBBXHE-JTQLQIEISA-N 1 2 201.260 2.377 20 30 BEEDLO C#C[C@H]1CCC[N@H+](CC(F)(F)CC)C1 ZINC000878844015 590631754 /nfs/dbraw/zinc/63/17/54/590631754.db2.gz OOTIHJBGZBBXHE-JTQLQIEISA-N 1 2 201.260 2.377 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000878843386 590632141 /nfs/dbraw/zinc/63/21/41/590632141.db2.gz BVLXTZQPKSHSBH-LLVKDONJSA-N 1 2 245.326 2.182 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000878843386 590632142 /nfs/dbraw/zinc/63/21/42/590632142.db2.gz BVLXTZQPKSHSBH-LLVKDONJSA-N 1 2 245.326 2.182 20 30 BEEDLO C#CC[N@@H+](Cc1ccc(C)nc1C)C1CSC1 ZINC000878909804 590647696 /nfs/dbraw/zinc/64/76/96/590647696.db2.gz KFVIMAFNBBZMIS-UHFFFAOYSA-N 1 2 246.379 2.249 20 30 BEEDLO C#CC[N@H+](Cc1ccc(C)nc1C)C1CSC1 ZINC000878909804 590647699 /nfs/dbraw/zinc/64/76/99/590647699.db2.gz KFVIMAFNBBZMIS-UHFFFAOYSA-N 1 2 246.379 2.249 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC=C ZINC000878917622 590649805 /nfs/dbraw/zinc/64/98/05/590649805.db2.gz QSRVBYCZVZBIOP-LBPRGKRZSA-N 1 2 237.343 2.228 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC=C ZINC000878917622 590649808 /nfs/dbraw/zinc/64/98/08/590649808.db2.gz QSRVBYCZVZBIOP-LBPRGKRZSA-N 1 2 237.343 2.228 20 30 BEEDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000878918730 590651108 /nfs/dbraw/zinc/65/11/08/590651108.db2.gz WKOKONHYHYJOFB-LLVKDONJSA-N 1 2 246.310 2.295 20 30 BEEDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccc(C#N)o1 ZINC000878918730 590651113 /nfs/dbraw/zinc/65/11/13/590651113.db2.gz WKOKONHYHYJOFB-LLVKDONJSA-N 1 2 246.310 2.295 20 30 BEEDLO C[N@H+](Cc1cccc(F)n1)[C@@H]1CCC[C@H]1C#N ZINC000879308577 590734689 /nfs/dbraw/zinc/73/46/89/590734689.db2.gz CYUJDKJRDFSVOZ-CMPLNLGQSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1cccc(F)n1)[C@@H]1CCC[C@H]1C#N ZINC000879308577 590734693 /nfs/dbraw/zinc/73/46/93/590734693.db2.gz CYUJDKJRDFSVOZ-CMPLNLGQSA-N 1 2 233.290 2.345 20 30 BEEDLO CCOC(C[N@H+](C)[C@H]1CCC[C@H]1C#N)OCC ZINC000879310979 590734998 /nfs/dbraw/zinc/73/49/98/590734998.db2.gz LSTVEFQBEULTJM-RYUDHWBXSA-N 1 2 240.347 2.010 20 30 BEEDLO CCOC(C[N@@H+](C)[C@H]1CCC[C@H]1C#N)OCC ZINC000879310979 590735002 /nfs/dbraw/zinc/73/50/02/590735002.db2.gz LSTVEFQBEULTJM-RYUDHWBXSA-N 1 2 240.347 2.010 20 30 BEEDLO C[N@H+](Cc1ccnc(F)c1)[C@H]1CCC[C@H]1C#N ZINC000879310665 590735225 /nfs/dbraw/zinc/73/52/25/590735225.db2.gz XWLJQXHZPRDLCE-RYUDHWBXSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1ccnc(F)c1)[C@H]1CCC[C@H]1C#N ZINC000879310665 590735227 /nfs/dbraw/zinc/73/52/27/590735227.db2.gz XWLJQXHZPRDLCE-RYUDHWBXSA-N 1 2 233.290 2.345 20 30 BEEDLO C#CCC[N@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879737092 590858245 /nfs/dbraw/zinc/85/82/45/590858245.db2.gz BOLOGGSBYBFTAB-HNNXBMFYSA-N 1 2 245.322 2.092 20 30 BEEDLO C#CCC[N@@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879737092 590858248 /nfs/dbraw/zinc/85/82/48/590858248.db2.gz BOLOGGSBYBFTAB-HNNXBMFYSA-N 1 2 245.322 2.092 20 30 BEEDLO C=C(Cl)C[N@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000880302478 590999179 /nfs/dbraw/zinc/99/91/79/590999179.db2.gz HUTRYJIRBZHCHZ-MRVPVSSYSA-N 1 2 243.656 2.392 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000880302478 590999180 /nfs/dbraw/zinc/99/91/80/590999180.db2.gz HUTRYJIRBZHCHZ-MRVPVSSYSA-N 1 2 243.656 2.392 20 30 BEEDLO CC#CC[NH2+]Cc1cn(C[C@H](C)C(C)(C)C)nn1 ZINC000881325239 591191346 /nfs/dbraw/zinc/19/13/46/591191346.db2.gz FOASYWBZAKIIML-LBPRGKRZSA-N 1 2 248.374 2.073 20 30 BEEDLO C#C[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000882543649 591389442 /nfs/dbraw/zinc/38/94/42/591389442.db2.gz JGGIAILRUIFOKP-SNVBAGLBSA-N 1 2 204.248 2.070 20 30 BEEDLO C=C(C)C[C@@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000883006184 591507090 /nfs/dbraw/zinc/50/70/90/591507090.db2.gz LRHADBMOMJDDGS-NSHDSACASA-N 1 2 245.326 2.312 20 30 BEEDLO C#Cc1ccc(C[NH2+][C@H](C)C(F)F)cc1 ZINC000883407262 591650954 /nfs/dbraw/zinc/65/09/54/591650954.db2.gz PYJMWPSLCONTIZ-SECBINFHSA-N 1 2 209.239 2.411 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc[nH+]c(CC)n1 ZINC000884494887 591956278 /nfs/dbraw/zinc/95/62/78/591956278.db2.gz FXBGVTUZCBZSPJ-FZMZJTMJSA-N 1 2 247.342 2.432 20 30 BEEDLO C#CC[C@@H]1CCCN(c2cc[nH+]c(CC)n2)C1 ZINC000884541731 591972776 /nfs/dbraw/zinc/97/27/76/591972776.db2.gz MFKRTPMWCFLJCM-GFCCVEGCSA-N 1 2 229.327 2.279 20 30 BEEDLO C=C1CCC(C(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000885649968 592090569 /nfs/dbraw/zinc/09/05/69/592090569.db2.gz PQRPVTLKYDCOMD-UHFFFAOYSA-N 1 2 246.310 2.453 20 30 BEEDLO C#CC[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000886358161 592217014 /nfs/dbraw/zinc/21/70/14/592217014.db2.gz QFHKGJDZGQCWEV-MRVPVSSYSA-N 1 2 223.213 2.232 20 30 BEEDLO C#CC[C@@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000886358161 592217015 /nfs/dbraw/zinc/21/70/15/592217015.db2.gz QFHKGJDZGQCWEV-MRVPVSSYSA-N 1 2 223.213 2.232 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886677340 592299785 /nfs/dbraw/zinc/29/97/85/592299785.db2.gz VVJSZXRYRVMQBI-NSHDSACASA-N 1 2 237.734 2.409 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886677340 592299789 /nfs/dbraw/zinc/29/97/89/592299789.db2.gz VVJSZXRYRVMQBI-NSHDSACASA-N 1 2 237.734 2.409 20 30 BEEDLO N#CCCC[N@@H+](CC(F)F)C1CCC1 ZINC000887098921 592441365 /nfs/dbraw/zinc/44/13/65/592441365.db2.gz IBFVANIIWCWESD-UHFFFAOYSA-N 1 2 202.248 2.410 20 30 BEEDLO N#CCCC[N@H+](CC(F)F)C1CCC1 ZINC000887098921 592441369 /nfs/dbraw/zinc/44/13/69/592441369.db2.gz IBFVANIIWCWESD-UHFFFAOYSA-N 1 2 202.248 2.410 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]/C[C@H]1C[C@H](OC)C1 ZINC000887268175 592473362 /nfs/dbraw/zinc/47/33/62/592473362.db2.gz DQVQMZCOCJUTPP-BUZQWNBOSA-N 1 2 249.310 2.245 20 30 BEEDLO Oc1cccc(/C=[NH+]\C[C@@H]2C=CCC2)c1O ZINC000887268608 592473471 /nfs/dbraw/zinc/47/34/71/592473471.db2.gz PVJNDLNVZWTYQO-AHEVQNHNSA-N 1 2 217.268 2.483 20 30 BEEDLO COC[C@H]1C[C@@H](/[NH+]=C\c2cc(OC)ccc2O)C1 ZINC000887270013 592474171 /nfs/dbraw/zinc/47/41/71/592474171.db2.gz FUWCTJPGPSKENL-RICYAQSNSA-N 1 2 249.310 2.245 20 30 BEEDLO COc1cccc(/C=[NH+]\CC[C@H]2CCCO2)c1O ZINC000887270975 592474378 /nfs/dbraw/zinc/47/43/78/592474378.db2.gz XRZGLVLZQISTGH-DYTQJMLRSA-N 1 2 249.310 2.389 20 30 BEEDLO Oc1ccccc1/C=[NH+]/CCCn1cccn1 ZINC000075691787 634550102 /nfs/dbraw/zinc/55/01/02/634550102.db2.gz YIOUWFPGLIFWOD-SDNWHVSQSA-N 1 2 229.283 2.098 20 30 BEEDLO N#Cc1csc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000335410434 631231684 /nfs/dbraw/zinc/23/16/84/631231684.db2.gz SJQUYVJYZLNUQT-VIFPVBQESA-N 1 2 210.277 2.164 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000335410434 631231693 /nfs/dbraw/zinc/23/16/93/631231693.db2.gz SJQUYVJYZLNUQT-VIFPVBQESA-N 1 2 210.277 2.164 20 30 BEEDLO N#Cc1csc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000335410432 631232050 /nfs/dbraw/zinc/23/20/50/631232050.db2.gz SJQUYVJYZLNUQT-SECBINFHSA-N 1 2 210.277 2.164 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000335410432 631232055 /nfs/dbraw/zinc/23/20/55/631232055.db2.gz SJQUYVJYZLNUQT-SECBINFHSA-N 1 2 210.277 2.164 20 30 BEEDLO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@](C)(C#N)C1 ZINC000933609714 631458717 /nfs/dbraw/zinc/45/87/17/631458717.db2.gz QKIPCUSFPFAHMV-MCIONIFRSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@@](C)(C#N)C1 ZINC000933609714 631458723 /nfs/dbraw/zinc/45/87/23/631458723.db2.gz QKIPCUSFPFAHMV-MCIONIFRSA-N 1 2 236.359 2.427 20 30 BEEDLO C[C@H](C[N@@H+]1CCO[C@@](C)(C#N)C1)C(C)(C)C ZINC000933611594 631461632 /nfs/dbraw/zinc/46/16/32/631461632.db2.gz QZUNCTYJUWLXGA-YPMHNXCESA-N 1 2 224.348 2.283 20 30 BEEDLO C[C@H](C[N@H+]1CCO[C@@](C)(C#N)C1)C(C)(C)C ZINC000933611594 631461640 /nfs/dbraw/zinc/46/16/40/631461640.db2.gz QZUNCTYJUWLXGA-YPMHNXCESA-N 1 2 224.348 2.283 20 30 BEEDLO CCCCCO[NH+]=C(N)Cc1cccnc1 ZINC000092915321 631562329 /nfs/dbraw/zinc/56/23/29/631562329.db2.gz NDRGZTYNAPDWBU-UHFFFAOYSA-N 1 2 221.304 2.103 20 30 BEEDLO Oc1ccccc1/C=[NH+]\C[C@H]1CCCOC1 ZINC000255442809 631711347 /nfs/dbraw/zinc/71/13/47/631711347.db2.gz HUYHVHYXPSAUPB-RLIURORJSA-N 1 2 219.284 2.238 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cn1 ZINC000934516627 631897399 /nfs/dbraw/zinc/89/73/99/631897399.db2.gz NCTWRMWOULYPAV-CYBMUJFWSA-N 1 2 218.275 2.208 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cn1 ZINC000934516627 631897402 /nfs/dbraw/zinc/89/74/02/631897402.db2.gz NCTWRMWOULYPAV-CYBMUJFWSA-N 1 2 218.275 2.208 20 30 BEEDLO C=C[C@H](CC)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000909522830 636157131 /nfs/dbraw/zinc/15/71/31/636157131.db2.gz SKEHPTMWPZENAB-SNVBAGLBSA-N 1 2 234.299 2.309 20 30 BEEDLO CCc1onc(C)c1C[NH2+][C@@H](CC)CC#N ZINC000930693466 634039929 /nfs/dbraw/zinc/03/99/29/634039929.db2.gz OXDFMTPZXLMDTA-JTQLQIEISA-N 1 2 221.304 2.327 20 30 BEEDLO N#CCC[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000426005895 635663798 /nfs/dbraw/zinc/66/37/98/635663798.db2.gz ULDOZVOIVODSPN-UHFFFAOYSA-N 1 2 246.339 2.276 20 30 BEEDLO C#CCCCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896912807 636254440 /nfs/dbraw/zinc/25/44/40/636254440.db2.gz GZSXGMPGGSQOGO-UHFFFAOYSA-N 1 2 247.342 2.226 20 30 BEEDLO C#CC[N@H+](Cn1ncc(Cl)c1C)C(C)C ZINC000905749087 637897811 /nfs/dbraw/zinc/89/78/11/637897811.db2.gz LRSNBTXLKAQCAF-UHFFFAOYSA-N 1 2 225.723 2.146 20 30 BEEDLO C#CC[N@@H+](Cn1ncc(Cl)c1C)C(C)C ZINC000905749087 637897816 /nfs/dbraw/zinc/89/78/16/637897816.db2.gz LRSNBTXLKAQCAF-UHFFFAOYSA-N 1 2 225.723 2.146 20 30 BEEDLO CC[C@@H](C)[C@@H]([NH2+]CC(C)(C)CC#N)C(=O)OC ZINC000905772487 637927462 /nfs/dbraw/zinc/92/74/62/637927462.db2.gz OYRVKLQNXLNKGB-GHMZBOCLSA-N 1 2 240.347 2.104 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906299671 638136385 /nfs/dbraw/zinc/13/63/85/638136385.db2.gz SOOMIDKUOGGLMY-LBPRGKRZSA-N 1 2 232.331 2.154 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906299671 638136393 /nfs/dbraw/zinc/13/63/93/638136393.db2.gz SOOMIDKUOGGLMY-LBPRGKRZSA-N 1 2 232.331 2.154 20 30 BEEDLO C=CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000907517251 638402096 /nfs/dbraw/zinc/40/20/96/638402096.db2.gz CSBXDMKPKJSGNH-UHFFFAOYSA-N 1 2 218.300 2.265 20 30 BEEDLO C[C@H](CC#N)[NH2+][C@@H](C)c1ccc(F)nc1 ZINC000930866555 639960125 /nfs/dbraw/zinc/96/01/25/639960125.db2.gz COERDBAOINMTRN-BDAKNGLRSA-N 1 2 207.252 2.173 20 30 BEEDLO C#CC[N@@H+](Cc1cc(C)cc(C)n1)C1CSC1 ZINC000930959871 639998535 /nfs/dbraw/zinc/99/85/35/639998535.db2.gz FJXVUOKKLASTLP-UHFFFAOYSA-N 1 2 246.379 2.249 20 30 BEEDLO C#CC[N@H+](Cc1cc(C)cc(C)n1)C1CSC1 ZINC000930959871 639998537 /nfs/dbraw/zinc/99/85/37/639998537.db2.gz FJXVUOKKLASTLP-UHFFFAOYSA-N 1 2 246.379 2.249 20 30 BEEDLO C=CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000912378452 640034056 /nfs/dbraw/zinc/03/40/56/640034056.db2.gz FTKVRGGWGHFHQS-UHFFFAOYSA-N 1 2 218.300 2.313 20 30 BEEDLO CC[N@H+](C[C@@H](COC)C(C)C)[C@@H](C)C#N ZINC000931057129 640045891 /nfs/dbraw/zinc/04/58/91/640045891.db2.gz VJIKCDAPSVVWQB-RYUDHWBXSA-N 1 2 212.337 2.139 20 30 BEEDLO CC[N@@H+](C[C@@H](COC)C(C)C)[C@@H](C)C#N ZINC000931057129 640045897 /nfs/dbraw/zinc/04/58/97/640045897.db2.gz VJIKCDAPSVVWQB-RYUDHWBXSA-N 1 2 212.337 2.139 20 30 BEEDLO C#CCN(Cc1cc(OC)cc(C)[nH+]1)C(C)C ZINC000932388523 640513618 /nfs/dbraw/zinc/51/36/18/640513618.db2.gz MYCKRSGIGIYOME-UHFFFAOYSA-N 1 2 232.327 2.242 20 30 BEEDLO C#CC[N@@H+](Cc1cn(C(C)(C)C)nn1)C(C)(C)C ZINC000932461571 640530832 /nfs/dbraw/zinc/53/08/32/640530832.db2.gz GQNXQZJSYYWOEO-UHFFFAOYSA-N 1 2 248.374 2.267 20 30 BEEDLO C#CC[N@H+](Cc1cn(C(C)(C)C)nn1)C(C)(C)C ZINC000932461571 640530835 /nfs/dbraw/zinc/53/08/35/640530835.db2.gz GQNXQZJSYYWOEO-UHFFFAOYSA-N 1 2 248.374 2.267 20 30 BEEDLO C#CCC1([NH2+][C@H](C(=O)OC)[C@@H](C)CC)CCC1 ZINC000933294179 640698684 /nfs/dbraw/zinc/69/86/84/640698684.db2.gz PCBMPNKHQSOTQP-RYUDHWBXSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CCC1([NH2+][C@@H](C(=O)OC)[C@@H](C)CC)CCC1 ZINC000933294136 640698751 /nfs/dbraw/zinc/69/87/51/640698751.db2.gz PCBMPNKHQSOTQP-NWDGAFQWSA-N 1 2 237.343 2.110 20 30 BEEDLO C=C[C@H](CC)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000933299729 640702787 /nfs/dbraw/zinc/70/27/87/640702787.db2.gz VXJCZLWUMLFLFB-QWHCGFSZSA-N 1 2 249.358 2.238 20 30 BEEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cncs1 ZINC000934201894 641101635 /nfs/dbraw/zinc/10/16/35/641101635.db2.gz WDZXHQILMZEDDM-VHSXEESVSA-N 1 2 234.328 2.237 20 30 BEEDLO CC[N@H+](CC#N)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929464261 641326443 /nfs/dbraw/zinc/32/64/43/641326443.db2.gz MHRSEJPJBGZSFP-ILWJIGKKSA-N 1 2 214.259 2.123 20 30 BEEDLO CC[N@@H+](CC#N)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929464261 641326446 /nfs/dbraw/zinc/32/64/46/641326446.db2.gz MHRSEJPJBGZSFP-ILWJIGKKSA-N 1 2 214.259 2.123 20 30 BEEDLO C#C[C@@H](CCC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935623283 641448299 /nfs/dbraw/zinc/44/82/99/641448299.db2.gz CBARFXTUAIDKHQ-NSHDSACASA-N 1 2 241.294 2.095 20 30 BEEDLO C#CC[N@@H+](Cc1nc(CC)no1)C1CCCC1 ZINC000155792923 641582397 /nfs/dbraw/zinc/58/23/97/641582397.db2.gz WWEMTXRNEIQTGA-UHFFFAOYSA-N 1 2 233.315 2.010 20 30 BEEDLO C#CC[N@H+](Cc1nc(CC)no1)C1CCCC1 ZINC000155792923 641582403 /nfs/dbraw/zinc/58/24/03/641582403.db2.gz WWEMTXRNEIQTGA-UHFFFAOYSA-N 1 2 233.315 2.010 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000070663239 642438675 /nfs/dbraw/zinc/43/86/75/642438675.db2.gz ZYEGAUSHTFNAMH-JTQLQIEISA-N 1 2 206.314 2.484 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000070663239 642438679 /nfs/dbraw/zinc/43/86/79/642438679.db2.gz ZYEGAUSHTFNAMH-JTQLQIEISA-N 1 2 206.314 2.484 20 30 BEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cccs1 ZINC000920241510 642464267 /nfs/dbraw/zinc/46/42/67/642464267.db2.gz QYRJRVGHZHUVKR-ONEGZZNKSA-N 1 2 204.254 2.367 20 30 BEEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccncc1 ZINC000253679063 642676383 /nfs/dbraw/zinc/67/63/83/642676383.db2.gz XZRAQBGQONHPEP-UHFFFAOYSA-N 1 2 248.289 2.498 20 30 BEEDLO CC#CCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000175474388 642685892 /nfs/dbraw/zinc/68/58/92/642685892.db2.gz SREVTXIWPGOCTG-CQSZACIVSA-N 1 2 245.322 2.246 20 30 BEEDLO CC#CCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000175474388 642685898 /nfs/dbraw/zinc/68/58/98/642685898.db2.gz SREVTXIWPGOCTG-CQSZACIVSA-N 1 2 245.322 2.246 20 30 BEEDLO NC(Cc1ccccc1)=[NH+]OCc1ccccn1 ZINC000180623688 642804291 /nfs/dbraw/zinc/80/42/91/642804291.db2.gz BYFAIPORTFLOQJ-UHFFFAOYSA-N 1 2 241.294 2.113 20 30 BEEDLO CCSCCO[NH+]=C(N)c1ccccc1 ZINC000183116933 643089976 /nfs/dbraw/zinc/08/99/76/643089976.db2.gz HFJQJPXIOXVPNX-UHFFFAOYSA-N 1 2 224.329 2.077 20 30 BEEDLO C#CCCCNc1cc(NCCCC#C)[nH+]cn1 ZINC000185492194 643314685 /nfs/dbraw/zinc/31/46/85/643314685.db2.gz IMNIMYRUMRIKFA-UHFFFAOYSA-N 1 2 242.326 2.127 20 30 BEEDLO C=C(Cl)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000073167353 643405023 /nfs/dbraw/zinc/40/50/23/643405023.db2.gz BSRQVVVFWAZBGE-LLVKDONJSA-N 1 2 217.740 2.486 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000073167353 643405029 /nfs/dbraw/zinc/40/50/29/643405029.db2.gz BSRQVVVFWAZBGE-LLVKDONJSA-N 1 2 217.740 2.486 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068481247 643640909 /nfs/dbraw/zinc/64/09/09/643640909.db2.gz MEUJWZMOWIJVAL-VIFPVBQESA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068481247 643640914 /nfs/dbraw/zinc/64/09/14/643640914.db2.gz MEUJWZMOWIJVAL-VIFPVBQESA-N 1 2 203.713 2.238 20 30 BEEDLO C=CCC1(C(=O)OCc2ccc(N)[nH+]c2)CCC1 ZINC000922645320 644051501 /nfs/dbraw/zinc/05/15/01/644051501.db2.gz WZOPNFRBCHZSRD-UHFFFAOYSA-N 1 2 246.310 2.453 20 30 BEEDLO C=CCC(CC=C)C(=O)OCCc1c[nH+]cn1C ZINC000793242584 644801543 /nfs/dbraw/zinc/80/15/43/644801543.db2.gz NRDBWEXQLISEGP-UHFFFAOYSA-N 1 2 248.326 2.274 20 30 BEEDLO C#CCC(C)(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817458856 644983162 /nfs/dbraw/zinc/98/31/62/644983162.db2.gz MQPUAQJNLNNRMQ-UHFFFAOYSA-N 1 2 244.338 2.364 20 30 BEEDLO Fc1ccc[nH+]c1NNC=C1CC1(F)F ZINC000834977490 645151965 /nfs/dbraw/zinc/15/19/65/645151965.db2.gz LPQWGYODYNDIDS-LURJTMIESA-N 1 2 215.178 2.274 20 30 BEEDLO C#CC[N@@H+](CCCC=C)CC(=O)OC(C)(C)C ZINC000852429356 645478396 /nfs/dbraw/zinc/47/83/96/645478396.db2.gz JLKBYXVZOQNMJZ-UHFFFAOYSA-N 1 2 237.343 2.230 20 30 BEEDLO C#CC[N@H+](CCCC=C)CC(=O)OC(C)(C)C ZINC000852429356 645478401 /nfs/dbraw/zinc/47/84/01/645478401.db2.gz JLKBYXVZOQNMJZ-UHFFFAOYSA-N 1 2 237.343 2.230 20 30 BEEDLO C#CC[N@@H+](Cc1cc(C(=O)OC)cs1)C1CC1 ZINC000877372230 645793793 /nfs/dbraw/zinc/79/37/93/645793793.db2.gz YSGZDQQXEGAIIB-UHFFFAOYSA-N 1 2 249.335 2.132 20 30 BEEDLO C#CC[N@H+](Cc1cc(C(=O)OC)cs1)C1CC1 ZINC000877372230 645793804 /nfs/dbraw/zinc/79/38/04/645793804.db2.gz YSGZDQQXEGAIIB-UHFFFAOYSA-N 1 2 249.335 2.132 20 30 BEEDLO Cc1nonc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000924697622 646093102 /nfs/dbraw/zinc/09/31/02/646093102.db2.gz BIJAMKAQNHXWSD-VIFPVBQESA-N 1 2 242.282 2.101 20 30 BEEDLO C=C1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC000929603505 646196202 /nfs/dbraw/zinc/19/62/02/646196202.db2.gz JYZSUCKQHXMGAJ-LLVKDONJSA-N 1 2 203.289 2.190 20 30 BEEDLO CC[N@@H+](CCC#N)CCSc1ccncc1 ZINC000929775151 646303417 /nfs/dbraw/zinc/30/34/17/646303417.db2.gz VXZLBTMRUSIZEC-UHFFFAOYSA-N 1 2 235.356 2.409 20 30 BEEDLO CC[N@H+](CCC#N)CCSc1ccncc1 ZINC000929775151 646303420 /nfs/dbraw/zinc/30/34/20/646303420.db2.gz VXZLBTMRUSIZEC-UHFFFAOYSA-N 1 2 235.356 2.409 20 30 BEEDLO Cc1cccc([C@@H](O)C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000929830263 646347841 /nfs/dbraw/zinc/34/78/41/646347841.db2.gz CSURFGPHVOPPSN-OCCSQVGLSA-N 1 2 232.327 2.262 20 30 BEEDLO Cc1cccc([C@@H](O)C[N@H+](C)[C@H](C)CC#N)c1 ZINC000929830263 646347845 /nfs/dbraw/zinc/34/78/45/646347845.db2.gz CSURFGPHVOPPSN-OCCSQVGLSA-N 1 2 232.327 2.262 20 30 BEEDLO C[C@H](C#N)C[N@H+](CCc1ccns1)C1CC1 ZINC000930086310 646426679 /nfs/dbraw/zinc/42/66/79/646426679.db2.gz GXTNJVRJWWMLHZ-SNVBAGLBSA-N 1 2 235.356 2.310 20 30 BEEDLO C[C@H](C#N)C[N@@H+](CCc1ccns1)C1CC1 ZINC000930086310 646426686 /nfs/dbraw/zinc/42/66/86/646426686.db2.gz GXTNJVRJWWMLHZ-SNVBAGLBSA-N 1 2 235.356 2.310 20 30 BEEDLO N#Cc1cc(C[NH+]2CCC(C#N)CC2)cs1 ZINC000891853004 711553024 /nfs/dbraw/zinc/55/30/24/711553024.db2.gz YRVKMILPIGOKSF-UHFFFAOYSA-N 1 2 231.324 2.355 20 30 BEEDLO C=CC[N@H+](Cc1nccn1C1CC1)C1CC1 ZINC000893559007 711736417 /nfs/dbraw/zinc/73/64/17/711736417.db2.gz FOPQOEQTADSIIE-UHFFFAOYSA-N 1 2 217.316 2.368 20 30 BEEDLO C=CC[N@@H+](Cc1nccn1C1CC1)C1CC1 ZINC000893559007 711736419 /nfs/dbraw/zinc/73/64/19/711736419.db2.gz FOPQOEQTADSIIE-UHFFFAOYSA-N 1 2 217.316 2.368 20 30 BEEDLO C=C(Br)C[N@H+](CC)C[C@@H]1CCCO1 ZINC000051554636 711826241 /nfs/dbraw/zinc/82/62/41/711826241.db2.gz XPVUWAXMPMUSAT-JTQLQIEISA-N 1 2 248.164 2.396 20 30 BEEDLO C=C(Br)C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000051554636 711826243 /nfs/dbraw/zinc/82/62/43/711826243.db2.gz XPVUWAXMPMUSAT-JTQLQIEISA-N 1 2 248.164 2.396 20 30 BEEDLO CC#CC[N@@H+](C)Cc1c(C)noc1CC ZINC000930589722 712713141 /nfs/dbraw/zinc/71/31/41/712713141.db2.gz NHUNLMPABDQJGV-UHFFFAOYSA-N 1 2 206.289 2.001 20 30 BEEDLO CC#CC[N@H+](C)Cc1c(C)noc1CC ZINC000930589722 712713142 /nfs/dbraw/zinc/71/31/42/712713142.db2.gz NHUNLMPABDQJGV-UHFFFAOYSA-N 1 2 206.289 2.001 20 30 BEEDLO Cc1cc(C)[nH+]c(CN2CCC[C@H](C#N)C2)c1 ZINC000723615017 710729294 /nfs/dbraw/zinc/72/92/94/710729294.db2.gz YWEAGVYJRZRFSU-CYBMUJFWSA-N 1 2 229.327 2.434 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(C)c(C)o1 ZINC000384195062 710813227 /nfs/dbraw/zinc/81/32/27/710813227.db2.gz XPMLOKRDLQRTJW-LBPRGKRZSA-N 1 2 206.289 2.183 20 30 BEEDLO Cc1ccc(C[N@@H+](C)Cc2cncc(C#N)c2)o1 ZINC000721521588 711617098 /nfs/dbraw/zinc/61/70/98/711617098.db2.gz IECSNNNELDIQEA-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1ccc(C[N@H+](C)Cc2cncc(C#N)c2)o1 ZINC000721521588 711617100 /nfs/dbraw/zinc/61/71/00/711617100.db2.gz IECSNNNELDIQEA-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)C[C@H]2CC=CCC2)C1 ZINC001030798734 711843272 /nfs/dbraw/zinc/84/32/72/711843272.db2.gz WBNYUDUPBWFKRK-ZDUSSCGKSA-N 1 2 248.370 2.109 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(C(C)C)o1 ZINC000700358847 711990892 /nfs/dbraw/zinc/99/08/92/711990892.db2.gz CACZENRMKJGYMT-LBPRGKRZSA-N 1 2 221.304 2.085 20 30 BEEDLO C=CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708391864 712192029 /nfs/dbraw/zinc/19/20/29/712192029.db2.gz XBWIFZSKAHJENB-UHFFFAOYSA-N 1 2 213.227 2.336 20 30 BEEDLO C[C@]1(C(F)(F)F)CC[N@H+](CCC#N)C1 ZINC000708707566 712197740 /nfs/dbraw/zinc/19/77/40/712197740.db2.gz QQLMKVFIFSEUJO-QMMMGPOBSA-N 1 2 206.211 2.174 20 30 BEEDLO C[C@]1(C(F)(F)F)CC[N@@H+](CCC#N)C1 ZINC000708707566 712197741 /nfs/dbraw/zinc/19/77/41/712197741.db2.gz QQLMKVFIFSEUJO-QMMMGPOBSA-N 1 2 206.211 2.174 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccns1 ZINC000715943480 712544546 /nfs/dbraw/zinc/54/45/46/712544546.db2.gz RMFKPIVBRJUCKJ-MRVPVSSYSA-N 1 2 207.302 2.097 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000847026822 712608333 /nfs/dbraw/zinc/60/83/33/712608333.db2.gz HNXXQQWGJIUCHO-LLVKDONJSA-N 1 2 233.315 2.038 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000847026822 712608335 /nfs/dbraw/zinc/60/83/35/712608335.db2.gz HNXXQQWGJIUCHO-LLVKDONJSA-N 1 2 233.315 2.038 20 30 BEEDLO C=CCCCC(=O)NC1C[NH+](CC=C(C)C)C1 ZINC001267657189 960181220 /nfs/dbraw/zinc/18/12/20/960181220.db2.gz KXFCXTCMEFNSBR-UHFFFAOYSA-N 1 2 236.359 2.109 20 30 BEEDLO C[C@H]1CC[N@@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140752577 960554288 /nfs/dbraw/zinc/55/42/88/960554288.db2.gz LTDDPYCAVUGYLY-QMMMGPOBSA-N 1 2 222.238 2.431 20 30 BEEDLO C[C@H]1CC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140752577 960554295 /nfs/dbraw/zinc/55/42/95/960554295.db2.gz LTDDPYCAVUGYLY-QMMMGPOBSA-N 1 2 222.238 2.431 20 30 BEEDLO Cc1nc(C#N)ccc1Nc1c[nH+]c(C)c(N)c1 ZINC001210287604 1165864057 /nfs/dbraw/zinc/86/40/57/1165864057.db2.gz XRDQKNRTQANKHR-UHFFFAOYSA-N 1 2 239.282 2.291 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2ncccc2F)CC1 ZINC001207033747 968564985 /nfs/dbraw/zinc/56/49/85/968564985.db2.gz HEOZKJCMTCCEAK-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO C[C@@H](C#N)[N@H+](C)C[C@H]1CCOC(C)(C)C1 ZINC001207365546 968741964 /nfs/dbraw/zinc/74/19/64/968741964.db2.gz MAGIVTKFJFWIPN-QWRGUYRKSA-N 1 2 210.321 2.035 20 30 BEEDLO C[C@@H](C#N)[N@@H+](C)C[C@H]1CCOC(C)(C)C1 ZINC001207365546 968741971 /nfs/dbraw/zinc/74/19/71/968741971.db2.gz MAGIVTKFJFWIPN-QWRGUYRKSA-N 1 2 210.321 2.035 20 30 BEEDLO C=C(C)CNc1[nH+]cccc1CC(=O)OCC ZINC001155655178 969043071 /nfs/dbraw/zinc/04/30/71/969043071.db2.gz ULZGGYKTYFGVIK-UHFFFAOYSA-N 1 2 234.299 2.175 20 30 BEEDLO CCC(C#N)(CC)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254940497 969830145 /nfs/dbraw/zinc/83/01/45/969830145.db2.gz MHMLHUOKFQDCBE-GDNZZTSVSA-N 1 2 234.343 2.416 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255526719 970289348 /nfs/dbraw/zinc/28/93/48/970289348.db2.gz YSKHNMHPMJVCFT-DGCLKSJQSA-N 1 2 224.348 2.472 20 30 BEEDLO CC[C@@](C)(C#N)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255528752 970293153 /nfs/dbraw/zinc/29/31/53/970293153.db2.gz RWGGZBSUHTZSNA-PWSUYJOCSA-N 1 2 210.321 2.226 20 30 BEEDLO COC(=O)CCCC[C@H](C)[N@@H+]1CCC[C@H]1C#N ZINC001173448268 975391883 /nfs/dbraw/zinc/39/18/83/975391883.db2.gz WEXMUTOYTKBSBG-RYUDHWBXSA-N 1 2 238.331 2.096 20 30 BEEDLO COC(=O)CCCC[C@H](C)[N@H+]1CCC[C@H]1C#N ZINC001173448268 975391890 /nfs/dbraw/zinc/39/18/90/975391890.db2.gz WEXMUTOYTKBSBG-RYUDHWBXSA-N 1 2 238.331 2.096 20 30 BEEDLO C=CCc1ccccc1OC1C[NH+](C)C1 ZINC001228844842 976522022 /nfs/dbraw/zinc/52/20/22/976522022.db2.gz UDYDTNHFYLLKTD-UHFFFAOYSA-N 1 2 203.285 2.108 20 30 BEEDLO C[C@H]([NH2+]C1(C)CC1)c1cccc(C#N)c1O ZINC001335520246 977116357 /nfs/dbraw/zinc/11/63/57/977116357.db2.gz IJUHRTVZJOFAJG-VIFPVBQESA-N 1 2 216.284 2.467 20 30 BEEDLO N#CCC1C[NH+](Cc2ccccc2F)C1 ZINC000597194741 1167664153 /nfs/dbraw/zinc/66/41/53/1167664153.db2.gz ZRGUJGRFFMFSJU-UHFFFAOYSA-N 1 2 204.248 2.171 20 30 BEEDLO C#CCNc1[nH+]ccc2ccc(C#N)cc21 ZINC001155650841 1168470101 /nfs/dbraw/zinc/47/01/01/1168470101.db2.gz LOAISURVQMWSIQ-UHFFFAOYSA-N 1 2 207.236 2.152 20 30 BEEDLO Cn1c[nH+]cc1-c1cc(F)c(C#N)c(F)c1 ZINC001239922237 981034444 /nfs/dbraw/zinc/03/44/44/981034444.db2.gz WFWWDMNOMCMVAY-UHFFFAOYSA-N 1 2 219.194 2.237 20 30 BEEDLO Cc1c[nH+]c(Nc2cc(F)ccc2C#N)[nH]1 ZINC001185736366 1168757095 /nfs/dbraw/zinc/75/70/95/1168757095.db2.gz QHHXXSSTLTWCBO-UHFFFAOYSA-N 1 2 216.219 2.473 20 30 BEEDLO COc1cc(C#N)ccc1/C(C)=C/C=C/[NH3+] ZINC001241404291 982554942 /nfs/dbraw/zinc/55/49/42/982554942.db2.gz IMYIWEDSCBYTSV-DROBUMMNSA-N 1 2 214.268 2.443 20 30 BEEDLO CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246836104 973132271 /nfs/dbraw/zinc/13/22/71/973132271.db2.gz MUJXVXGJFBJIDU-MGPQQGTHSA-N 1 2 237.391 2.389 20 30 BEEDLO COCc1cc[nH+]c(NCCCCC#N)c1 ZINC001157638224 1169431777 /nfs/dbraw/zinc/43/17/77/1169431777.db2.gz XKAQOIQIBAWJKH-UHFFFAOYSA-N 1 2 219.288 2.334 20 30 BEEDLO CCOC1CCC([N@H+](C)[C@H](C)C#N)CC1 ZINC001256447481 970844766 /nfs/dbraw/zinc/84/47/66/970844766.db2.gz OMARGFLSPIZDSR-VOMCLLRMSA-N 1 2 210.321 2.178 20 30 BEEDLO CCOC1CCC([N@@H+](C)[C@H](C)C#N)CC1 ZINC001256447481 970844770 /nfs/dbraw/zinc/84/47/70/970844770.db2.gz OMARGFLSPIZDSR-VOMCLLRMSA-N 1 2 210.321 2.178 20 30 BEEDLO C[C@H](CCN1CC[NH2+]C[C@@H]1C#N)CC(C)(C)C ZINC001210120273 1169519419 /nfs/dbraw/zinc/51/94/19/1169519419.db2.gz BVLGSAMJNAYHIV-OLZOCXBDSA-N 1 2 237.391 2.246 20 30 BEEDLO C#Cc1cc(Nc2ccnc(OCC)c2)cc[nH+]1 ZINC001216622274 971142363 /nfs/dbraw/zinc/14/23/63/971142363.db2.gz ZQZNICNQVDMJPB-UHFFFAOYSA-N 1 2 239.278 2.022 20 30 BEEDLO CCC[C@H](CC)[NH2+]C1(C#N)CCOCC1 ZINC001257253123 971149635 /nfs/dbraw/zinc/14/96/35/971149635.db2.gz KSZFEXWTKKIIFA-NSHDSACASA-N 1 2 210.321 2.227 20 30 BEEDLO C#C[C@@](C)(CC)Nc1nc(C)[nH+]c2c1CCC2 ZINC001158742588 971424745 /nfs/dbraw/zinc/42/47/45/971424745.db2.gz ILHSSZWAASNWRI-AWEZNQCLSA-N 1 2 229.327 2.488 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+][C@@H]1CCCOCC1 ZINC001170775602 971798476 /nfs/dbraw/zinc/79/84/76/971798476.db2.gz LZUIQPIFXVSTRW-VXGBXAGGSA-N 1 2 210.321 2.083 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1CCCOCC1 ZINC001170775599 971799598 /nfs/dbraw/zinc/79/95/98/971799598.db2.gz LZUIQPIFXVSTRW-NEPJUHHUSA-N 1 2 210.321 2.083 20 30 BEEDLO N#Cc1cncc(Nc2cccn3cc[nH+]c23)c1 ZINC001210084236 957635382 /nfs/dbraw/zinc/63/53/82/957635382.db2.gz UAHPJCPBEYOARV-UHFFFAOYSA-N 1 2 235.250 2.345 20 30 BEEDLO C#Cc1cc(Nc2cccc(C)c2O)cc[nH+]1 ZINC001210186921 957656656 /nfs/dbraw/zinc/65/66/56/957656656.db2.gz AMOLNMILAILOMT-UHFFFAOYSA-N 1 2 224.263 2.242 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc2c1OCC2 ZINC000693091572 957667768 /nfs/dbraw/zinc/66/77/68/957667768.db2.gz MJVWYOVXWOKUFW-ZDUSSCGKSA-N 1 2 230.311 2.403 20 30 BEEDLO C#Cc1cc(Nc2cccc([C@H](C)O)c2)cc[nH+]1 ZINC001210503773 957766869 /nfs/dbraw/zinc/76/68/69/957766869.db2.gz OAPKWMPIVWSUMI-NSHDSACASA-N 1 2 238.290 2.282 20 30 BEEDLO N#C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001140341543 958236421 /nfs/dbraw/zinc/23/64/21/958236421.db2.gz VEIJLYZALNYXIR-VIFPVBQESA-N 1 2 236.702 2.391 20 30 BEEDLO N#C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140341543 958236429 /nfs/dbraw/zinc/23/64/29/958236429.db2.gz VEIJLYZALNYXIR-VIFPVBQESA-N 1 2 236.702 2.391 20 30 BEEDLO C[C@@H](C#C[Si](C)(C)C)OCCn1cc[nH+]c1 ZINC001222139435 972388154 /nfs/dbraw/zinc/38/81/54/972388154.db2.gz RPBSVMVQEYRKCZ-LBPRGKRZSA-N 1 2 236.391 2.169 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H](C)CC ZINC001267192657 959114210 /nfs/dbraw/zinc/11/42/10/959114210.db2.gz DMSSQHSFMFUDKF-SNVBAGLBSA-N 1 2 246.782 2.223 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H](C)CC ZINC001267192657 959114218 /nfs/dbraw/zinc/11/42/18/959114218.db2.gz DMSSQHSFMFUDKF-SNVBAGLBSA-N 1 2 246.782 2.223 20 30 BEEDLO C=CCn1cc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001222413491 972464969 /nfs/dbraw/zinc/46/49/69/972464969.db2.gz PUVWTQDMCLJNMJ-UHFFFAOYSA-N 1 2 226.283 2.099 20 30 BEEDLO CCCC[N@H+](CC#N)C[C@@H]1CCCOC1 ZINC001207470896 960281263 /nfs/dbraw/zinc/28/12/63/960281263.db2.gz AAWGAQMWBSPXNP-LBPRGKRZSA-N 1 2 210.321 2.039 20 30 BEEDLO CCCC[N@@H+](CC#N)C[C@@H]1CCCOC1 ZINC001207470896 960281268 /nfs/dbraw/zinc/28/12/68/960281268.db2.gz AAWGAQMWBSPXNP-LBPRGKRZSA-N 1 2 210.321 2.039 20 30 BEEDLO CC(C)(CCO)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001167739199 960355032 /nfs/dbraw/zinc/35/50/32/960355032.db2.gz JUJMMMVJHXVOSR-UHFFFAOYSA-N 1 2 245.326 2.210 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(OC)cc1Cl ZINC001140822368 960617839 /nfs/dbraw/zinc/61/78/39/960617839.db2.gz MLHDHIPSZPPTDI-UHFFFAOYSA-N 1 2 223.703 2.414 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(OC)cc1Cl ZINC001140822368 960617853 /nfs/dbraw/zinc/61/78/53/960617853.db2.gz MLHDHIPSZPPTDI-UHFFFAOYSA-N 1 2 223.703 2.414 20 30 BEEDLO Cn1c[nH+]cc1COC1CCC(C#N)CC1 ZINC001222595271 960723055 /nfs/dbraw/zinc/72/30/55/960723055.db2.gz VPMRFOJRZNOPTG-UHFFFAOYSA-N 1 2 219.288 2.019 20 30 BEEDLO CCCCc1[nH]c(CN2CC[C@@H](C#N)C2)c[nH+]1 ZINC001141071961 960857193 /nfs/dbraw/zinc/85/71/93/960857193.db2.gz JCNASQSNICLGMO-NSHDSACASA-N 1 2 232.331 2.098 20 30 BEEDLO CCCCc1[nH]cc(CN2CC[C@@H](C#N)C2)[nH+]1 ZINC001141071961 960857198 /nfs/dbraw/zinc/85/71/98/960857198.db2.gz JCNASQSNICLGMO-NSHDSACASA-N 1 2 232.331 2.098 20 30 BEEDLO CCCCc1[nH]c(CN2CC[C@H](C#N)C2)c[nH+]1 ZINC001141071960 960862659 /nfs/dbraw/zinc/86/26/59/960862659.db2.gz JCNASQSNICLGMO-LLVKDONJSA-N 1 2 232.331 2.098 20 30 BEEDLO CCCCc1[nH]cc(CN2CC[C@H](C#N)C2)[nH+]1 ZINC001141071960 960862661 /nfs/dbraw/zinc/86/26/61/960862661.db2.gz JCNASQSNICLGMO-LLVKDONJSA-N 1 2 232.331 2.098 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)CCCCCC)C1 ZINC001481599402 961286270 /nfs/dbraw/zinc/28/62/70/961286270.db2.gz NTCKQPQVUDJONT-UHFFFAOYSA-N 1 2 238.375 2.333 20 30 BEEDLO N#C[C@H]1CCCCN1Cc1ccc2[nH+]ccn2c1 ZINC001143027182 961868964 /nfs/dbraw/zinc/86/89/64/961868964.db2.gz LXKXZAAUHFEAOW-CYBMUJFWSA-N 1 2 240.310 2.212 20 30 BEEDLO C#CC[N@@H+](C)Cc1c(OC)cc(C)cc1OC ZINC001143143650 961887322 /nfs/dbraw/zinc/88/73/22/961887322.db2.gz VFXKDQHBTUKWFF-UHFFFAOYSA-N 1 2 233.311 2.077 20 30 BEEDLO C#CC[N@H+](C)Cc1c(OC)cc(C)cc1OC ZINC001143143650 961887323 /nfs/dbraw/zinc/88/73/23/961887323.db2.gz VFXKDQHBTUKWFF-UHFFFAOYSA-N 1 2 233.311 2.077 20 30 BEEDLO C#CCCCNc1cc(COC)cc[nH+]1 ZINC001155010950 962941112 /nfs/dbraw/zinc/94/11/12/962941112.db2.gz YEBKGUHIWUMYAK-UHFFFAOYSA-N 1 2 204.273 2.053 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168073301 963606149 /nfs/dbraw/zinc/60/61/49/963606149.db2.gz BMQGJHYYUTWLBI-IJLUTSLNSA-N 1 2 210.321 2.082 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168073305 963607028 /nfs/dbraw/zinc/60/70/28/963607028.db2.gz BMQGJHYYUTWLBI-WOPDTQHZSA-N 1 2 210.321 2.082 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C=C(C)C ZINC001271958063 963704331 /nfs/dbraw/zinc/70/43/31/963704331.db2.gz ONFJZIDGJUUHAA-UHFFFAOYSA-N 1 2 244.766 2.095 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C=C(C)C ZINC001271958063 963704339 /nfs/dbraw/zinc/70/43/39/963704339.db2.gz ONFJZIDGJUUHAA-UHFFFAOYSA-N 1 2 244.766 2.095 20 30 BEEDLO CC(C)C[C@](C)(C#N)[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168100865 963709179 /nfs/dbraw/zinc/70/91/79/963709179.db2.gz FPCNUHMFMZTAIQ-FRRDWIJNSA-N 1 2 224.348 2.472 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168103928 963721171 /nfs/dbraw/zinc/72/11/71/963721171.db2.gz TXYXNHBHELLIMU-IJLUTSLNSA-N 1 2 210.321 2.226 20 30 BEEDLO N#CC1(Nc2ccn3cc[nH+]c3c2)CCC1 ZINC001162309938 964911642 /nfs/dbraw/zinc/91/16/42/964911642.db2.gz ZSOIWJGPMVLEDI-UHFFFAOYSA-N 1 2 212.256 2.192 20 30 BEEDLO CCc1nc(C#N)cc(NC(=[NH2+])C(C)(C)C)n1 ZINC001162661311 965098828 /nfs/dbraw/zinc/09/88/28/965098828.db2.gz UDRFEIGRIISGLZ-UHFFFAOYSA-N 1 2 231.303 2.346 20 30 BEEDLO C#C[C@H](C)Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC001163161682 965278299 /nfs/dbraw/zinc/27/82/99/965278299.db2.gz SXTHGIJLOSTNFT-RYUDHWBXSA-N 1 2 244.342 2.147 20 30 BEEDLO C#C[C@H](C)Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC001163161682 965278311 /nfs/dbraw/zinc/27/83/11/965278311.db2.gz SXTHGIJLOSTNFT-RYUDHWBXSA-N 1 2 244.342 2.147 20 30 BEEDLO C[C@@H](Nc1cc(CC#N)cc[nH+]1)c1ccno1 ZINC001163212634 965302569 /nfs/dbraw/zinc/30/25/69/965302569.db2.gz IFULBWJNRAZFPV-SECBINFHSA-N 1 2 228.255 2.309 20 30 BEEDLO C=C(C)CNc1[nH+]c(C)nc2c1ccn2C ZINC001163374073 965374790 /nfs/dbraw/zinc/37/47/90/965374790.db2.gz ILJIRLVUZKICOO-UHFFFAOYSA-N 1 2 216.288 2.265 20 30 BEEDLO C=C(C)CNc1cc(SC)[nH+]c(C)n1 ZINC001163373993 965375764 /nfs/dbraw/zinc/37/57/64/965375764.db2.gz DSMGNYOKKQEBNO-UHFFFAOYSA-N 1 2 209.318 2.495 20 30 BEEDLO CCc1cc(NC2=CC(=O)CCC2)cc[nH+]1 ZINC001163468724 965414029 /nfs/dbraw/zinc/41/40/29/965414029.db2.gz XOGQEOZZMNSULL-UHFFFAOYSA-N 1 2 216.284 2.115 20 30 BEEDLO COCCOc1cc(NCCCCC#N)cc[nH+]1 ZINC001168434570 965505784 /nfs/dbraw/zinc/50/57/84/965505784.db2.gz VHKJORAVAIPPLD-UHFFFAOYSA-N 1 2 249.314 2.213 20 30 BEEDLO CN(c1cc(CC#N)cc[nH+]1)C1CC(F)(F)C1 ZINC001163768488 965572316 /nfs/dbraw/zinc/57/23/16/965572316.db2.gz UXYGIKYERXNWQA-UHFFFAOYSA-N 1 2 237.253 2.382 20 30 BEEDLO N#CCc1cc[nH+]c(N2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001166530856 966290228 /nfs/dbraw/zinc/29/02/28/966290228.db2.gz WKKBZIUAFAADFK-SDDRHHMPSA-N 1 2 231.274 2.084 20 30 BEEDLO C#C[C@@H]1CCCN(c2[nH+]c(C)ccc2OC)C1 ZINC001167005914 966517012 /nfs/dbraw/zinc/51/70/12/966517012.db2.gz NIDZJNZHWKXFAJ-GFCCVEGCSA-N 1 2 230.311 2.248 20 30 BEEDLO O=C1C=C2C[N@@H+](Cc3ccco3)CC[C@H]2S1 ZINC001203273224 966589361 /nfs/dbraw/zinc/58/93/61/966589361.db2.gz XEVGSSMEVIRQCT-LLVKDONJSA-N 1 2 235.308 2.054 20 30 BEEDLO O=C1C=C2C[N@H+](Cc3ccco3)CC[C@H]2S1 ZINC001203273224 966589364 /nfs/dbraw/zinc/58/93/64/966589364.db2.gz XEVGSSMEVIRQCT-LLVKDONJSA-N 1 2 235.308 2.054 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(Cl)c1N ZINC001203521546 966674959 /nfs/dbraw/zinc/67/49/59/966674959.db2.gz HADYRLHEDYLUDR-QMMMGPOBSA-N 1 2 223.707 2.314 20 30 BEEDLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001203899837 966816834 /nfs/dbraw/zinc/81/68/34/966816834.db2.gz DLIZFXHXPBXBKV-LLVKDONJSA-N 1 2 228.295 2.112 20 30 BEEDLO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001203899837 966816841 /nfs/dbraw/zinc/81/68/41/966816841.db2.gz DLIZFXHXPBXBKV-LLVKDONJSA-N 1 2 228.295 2.112 20 30 BEEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1O ZINC001204118804 966894541 /nfs/dbraw/zinc/89/45/41/966894541.db2.gz FDQHQSITEPQUMU-AWEZNQCLSA-N 1 2 246.310 2.136 20 30 BEEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1O ZINC001204118804 966894545 /nfs/dbraw/zinc/89/45/45/966894545.db2.gz FDQHQSITEPQUMU-AWEZNQCLSA-N 1 2 246.310 2.136 20 30 BEEDLO Cc1nn(C)cc1C[N@H+](CCC#N)C1CCCC1 ZINC001204578288 967070719 /nfs/dbraw/zinc/07/07/19/967070719.db2.gz AXBZEBFTAWFGIN-UHFFFAOYSA-N 1 2 246.358 2.387 20 30 BEEDLO Cc1nn(C)cc1C[N@@H+](CCC#N)C1CCCC1 ZINC001204578288 967070733 /nfs/dbraw/zinc/07/07/33/967070733.db2.gz AXBZEBFTAWFGIN-UHFFFAOYSA-N 1 2 246.358 2.387 20 30 BEEDLO CCCCN(CCC#N)Cc1[nH]c[nH+]c1C ZINC001204589543 967084360 /nfs/dbraw/zinc/08/43/60/967084360.db2.gz VVEJRAVZIXVHBS-UHFFFAOYSA-N 1 2 220.320 2.234 20 30 BEEDLO N#Cc1cc(C[NH+]2CC3(CSC3)C2)ccc1F ZINC001205502340 967654376 /nfs/dbraw/zinc/65/43/76/967654376.db2.gz QZYICPVJVOIITO-UHFFFAOYSA-N 1 2 248.326 2.246 20 30 BEEDLO Cc1cc(C#N)cc(CCn2cc[nH+]c2)c1 ZINC001250318647 967683882 /nfs/dbraw/zinc/68/38/82/967683882.db2.gz IJFUECAJIFLINU-UHFFFAOYSA-N 1 2 211.268 2.306 20 30 BEEDLO N#Cc1cc(F)cc(CCn2cc[nH+]c2)c1 ZINC001250316715 967691653 /nfs/dbraw/zinc/69/16/53/967691653.db2.gz UKVIYUBNPJCPCA-UHFFFAOYSA-N 1 2 215.231 2.137 20 30 BEEDLO C#Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205831068 967842424 /nfs/dbraw/zinc/84/24/24/967842424.db2.gz WEZHZHNVCQESLI-BBRMVZONSA-N 1 2 242.366 2.227 20 30 BEEDLO C#Cc1cc(Nc2c(C)ccnc2F)cc[nH+]1 ZINC001212554221 967870738 /nfs/dbraw/zinc/87/07/38/967870738.db2.gz MOLMGVTWDZVCQH-UHFFFAOYSA-N 1 2 227.242 2.071 20 30 BEEDLO CCCN(CC)c1cc(CC#N)cc[nH+]1 ZINC001163602876 968085125 /nfs/dbraw/zinc/08/51/25/968085125.db2.gz OKRIXTSELWZZGI-UHFFFAOYSA-N 1 2 203.289 2.384 20 30 BEEDLO C#CCCc1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001250606191 968152284 /nfs/dbraw/zinc/15/22/84/968152284.db2.gz CITXRROVNZMMGW-UHFFFAOYSA-N 1 2 212.252 2.064 20 30 BEEDLO Cc1cn2cccc(Nc3ccnc(C#N)c3)c2[nH+]1 ZINC001206594361 968406052 /nfs/dbraw/zinc/40/60/52/968406052.db2.gz LVPQDTXGPMWODC-UHFFFAOYSA-N 1 2 249.277 2.075 20 30 BEEDLO C=CCC[C@H](O)CNc1cccc2[nH+]c(C)cn21 ZINC001252587858 968842570 /nfs/dbraw/zinc/84/25/70/968842570.db2.gz XTHFCYQCFRQXSX-LBPRGKRZSA-N 1 2 245.326 2.382 20 30 BEEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2CCN(C)C(=O)C2)CC1 ZINC001208169410 969100566 /nfs/dbraw/zinc/10/05/66/969100566.db2.gz PEHRXLSBPDYTSA-CQSZACIVSA-N 1 2 248.370 2.063 20 30 BEEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCN(C)C(=O)C2)CC1 ZINC001208169410 969100570 /nfs/dbraw/zinc/10/05/70/969100570.db2.gz PEHRXLSBPDYTSA-CQSZACIVSA-N 1 2 248.370 2.063 20 30 BEEDLO C[C@@H](C[N@@H+]1CC[C@H](C#N)C1)C(F)(F)F ZINC001208905338 969295366 /nfs/dbraw/zinc/29/53/66/969295366.db2.gz NOCHKKTVKOUYCE-JGVFFNPUSA-N 1 2 206.211 2.030 20 30 BEEDLO C[C@@H](C[N@H+]1CC[C@H](C#N)C1)C(F)(F)F ZINC001208905338 969295370 /nfs/dbraw/zinc/29/53/70/969295370.db2.gz NOCHKKTVKOUYCE-JGVFFNPUSA-N 1 2 206.211 2.030 20 30 BEEDLO CCn1c[nH+]cc1CNc1cccc(C#N)c1 ZINC000090169800 969367676 /nfs/dbraw/zinc/36/76/76/969367676.db2.gz BJAZSBHENCIEEE-UHFFFAOYSA-N 1 2 226.283 2.387 20 30 BEEDLO COC1CCC(C[N@H+](C)[C@@H](C)C#N)CC1 ZINC001209401622 969468417 /nfs/dbraw/zinc/46/84/17/969468417.db2.gz VQXAQQZOIUWUEI-UNXYVOJBSA-N 1 2 210.321 2.035 20 30 BEEDLO COC1CCC(C[N@@H+](C)[C@@H](C)C#N)CC1 ZINC001209401622 969468420 /nfs/dbraw/zinc/46/84/20/969468420.db2.gz VQXAQQZOIUWUEI-UNXYVOJBSA-N 1 2 210.321 2.035 20 30 BEEDLO N#Cc1ncccc1Nc1cccn2cc[nH+]c12 ZINC001210141521 969808268 /nfs/dbraw/zinc/80/82/68/969808268.db2.gz SJYNOGGJDZICND-UHFFFAOYSA-N 1 2 235.250 2.345 20 30 BEEDLO C#Cc1cc(Nc2cnn(C(C)C)c2)cc[nH+]1 ZINC001210317825 969865022 /nfs/dbraw/zinc/86/50/22/969865022.db2.gz IEKUFFWVFGIJLX-UHFFFAOYSA-N 1 2 226.283 2.006 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC001255152502 969956817 /nfs/dbraw/zinc/95/68/17/969956817.db2.gz VJDGAOKOQGRGJW-OLZOCXBDSA-N 1 2 236.290 2.141 20 30 BEEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001255174498 969987836 /nfs/dbraw/zinc/98/78/36/969987836.db2.gz XXFPYVUKPLTDPA-AAEUAGOBSA-N 1 2 230.315 2.306 20 30 BEEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@H]1c1cnccn1 ZINC001255174498 969987839 /nfs/dbraw/zinc/98/78/39/969987839.db2.gz XXFPYVUKPLTDPA-AAEUAGOBSA-N 1 2 230.315 2.306 20 30 BEEDLO COc1cc[nH+]c(NC2=CC(=O)C[C@@H](C)C2)c1 ZINC001210767031 970015611 /nfs/dbraw/zinc/01/56/11/970015611.db2.gz SIAPBYBHBSJMLU-VIFPVBQESA-N 1 2 232.283 2.385 20 30 BEEDLO Cc1c[nH+]ccc1NC1=CC(=O)C[C@H](C)C1 ZINC001210765515 970016098 /nfs/dbraw/zinc/01/60/98/970016098.db2.gz DSNNYMZBLRRTHT-SECBINFHSA-N 1 2 216.284 2.107 20 30 BEEDLO COC(=O)[C@H](CS)[NH2+][C@@H](C)CCCC(C)C ZINC001170061161 970118605 /nfs/dbraw/zinc/11/86/05/970118605.db2.gz JPYJYBNAXLGOOK-QWRGUYRKSA-N 1 2 247.404 2.262 20 30 BEEDLO CC[C@](C)(C#N)[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255528749 970287923 /nfs/dbraw/zinc/28/79/23/970287923.db2.gz RWGGZBSUHTZSNA-CMPLNLGQSA-N 1 2 210.321 2.226 20 30 BEEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CC[C@H](C)C1)C(=O)OCC ZINC001170110344 970315890 /nfs/dbraw/zinc/31/58/90/970315890.db2.gz XGRMMDYFWDTGGB-KZVDOYCCSA-N 1 2 237.343 2.272 20 30 BEEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CC[C@@H](C)C1)C(=O)OCC ZINC001170110345 970317517 /nfs/dbraw/zinc/31/75/17/970317517.db2.gz XGRMMDYFWDTGGB-NRWUCQMLSA-N 1 2 237.343 2.272 20 30 BEEDLO Cc1cc(C)c(Nc2cnc(C#N)cn2)c[nH+]1 ZINC001213503648 970334193 /nfs/dbraw/zinc/33/41/93/970334193.db2.gz QPPMAMVLDUBCNG-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO Cc1cc(C)c(Nc2cn(C)nc2C#N)c[nH+]1 ZINC001213508100 970335738 /nfs/dbraw/zinc/33/57/38/970335738.db2.gz LAPLQVYKFPGBCF-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO C[C@@H]1CC[C@@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170141788 970415491 /nfs/dbraw/zinc/41/54/91/970415491.db2.gz ZSFSNIFYTFFWSV-JLLWLGSASA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H]1CC[C@@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170141788 970415500 /nfs/dbraw/zinc/41/55/00/970415500.db2.gz ZSFSNIFYTFFWSV-JLLWLGSASA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001170141788 970415506 /nfs/dbraw/zinc/41/55/06/970415506.db2.gz ZSFSNIFYTFFWSV-JLLWLGSASA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3SC(=O)C=C3C2)C1 ZINC001170141788 970415513 /nfs/dbraw/zinc/41/55/13/970415513.db2.gz ZSFSNIFYTFFWSV-JLLWLGSASA-N 1 2 237.368 2.449 20 30 BEEDLO CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2C#N)CCO1 ZINC001170226264 970624852 /nfs/dbraw/zinc/62/48/52/970624852.db2.gz IDWBCQQANHZGFB-RWMBFGLXSA-N 1 2 222.332 2.322 20 30 BEEDLO CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2C#N)CCO1 ZINC001170226264 970624857 /nfs/dbraw/zinc/62/48/57/970624857.db2.gz IDWBCQQANHZGFB-RWMBFGLXSA-N 1 2 222.332 2.322 20 30 BEEDLO Cn1c[nH+]cc1CO[C@@H](C#N)c1ccccc1F ZINC001222599863 972598206 /nfs/dbraw/zinc/59/82/06/972598206.db2.gz HKVHOBSGFUGGRI-ZDUSSCGKSA-N 1 2 245.257 2.341 20 30 BEEDLO CC#CC[C@H](CC)OCc1c[nH+]cn1C ZINC001222599824 972600287 /nfs/dbraw/zinc/60/02/87/972600287.db2.gz GOTOALAIVKSAFB-LBPRGKRZSA-N 1 2 206.289 2.129 20 30 BEEDLO C[C@H](CC(=O)OCC1(CC#N)CC1)n1cc[nH+]c1 ZINC000845475790 972827044 /nfs/dbraw/zinc/82/70/44/972827044.db2.gz JCMQOTDAMVTTHR-LLVKDONJSA-N 1 2 247.298 2.071 20 30 BEEDLO C#Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C2)cc1 ZINC001144568579 972877437 /nfs/dbraw/zinc/87/74/37/972877437.db2.gz YXAWWIPLQLWMAY-GFCCVEGCSA-N 1 2 227.307 2.079 20 30 BEEDLO C#Cc1ccc(C[N@H+]2CCC(=O)[C@H](C)C2)cc1 ZINC001144568579 972877440 /nfs/dbraw/zinc/87/74/40/972877440.db2.gz YXAWWIPLQLWMAY-GFCCVEGCSA-N 1 2 227.307 2.079 20 30 BEEDLO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246836104 973132257 /nfs/dbraw/zinc/13/22/57/973132257.db2.gz MUJXVXGJFBJIDU-MGPQQGTHSA-N 1 2 237.391 2.389 20 30 BEEDLO C=C1O[C@H](CC)C(=O)C1Oc1cc[nH+]cc1 ZINC001225294243 974368648 /nfs/dbraw/zinc/36/86/48/974368648.db2.gz HNHHABZUMUPXFU-SNVBAGLBSA-N 1 2 219.240 2.070 20 30 BEEDLO CCOCC[C@H](C)[NH2+]C(C#N)(CC)CC ZINC001172415856 974684589 /nfs/dbraw/zinc/68/45/89/974684589.db2.gz AEVMOPZFUDGOKQ-NSHDSACASA-N 1 2 212.337 2.473 20 30 BEEDLO Cc1ccc(C#N)c(OC2C[NH+](C(C)(C)C)C2)n1 ZINC001225859570 974703210 /nfs/dbraw/zinc/70/32/10/974703210.db2.gz BADTXYGAAMVMBU-UHFFFAOYSA-N 1 2 245.326 2.123 20 30 BEEDLO C[C@H](CCCC#N)[NH2+]C1(C#N)CCCC1 ZINC001172483674 974785592 /nfs/dbraw/zinc/78/55/92/974785592.db2.gz SBWLXFKTEQKDBF-LLVKDONJSA-N 1 2 205.305 2.495 20 30 BEEDLO C[C@H](CCCC#N)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172494893 974844045 /nfs/dbraw/zinc/84/40/45/974844045.db2.gz ZJNPMVBWXAZUNT-BBBLOLIVSA-N 1 2 202.248 2.061 20 30 BEEDLO C[C@H](CCCC#N)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172494893 974844048 /nfs/dbraw/zinc/84/40/48/974844048.db2.gz ZJNPMVBWXAZUNT-BBBLOLIVSA-N 1 2 202.248 2.061 20 30 BEEDLO C=C1O[C@@H](C)C(=O)C1Oc1c(C)cc[nH+]c1C ZINC001227265695 975342913 /nfs/dbraw/zinc/34/29/13/975342913.db2.gz WFYGWLBHNHGZRZ-VIFPVBQESA-N 1 2 233.267 2.297 20 30 BEEDLO C#Cc1cc(Nc2cccc(COC)c2)cc[nH+]1 ZINC001174091872 976280070 /nfs/dbraw/zinc/28/00/70/976280070.db2.gz KADZLGCJIATUEO-UHFFFAOYSA-N 1 2 238.290 2.375 20 30 BEEDLO C#Cc1cc(Nc2ccc3n[nH]cc3c2)cc[nH+]1 ZINC001174273170 976495845 /nfs/dbraw/zinc/49/58/45/976495845.db2.gz TUGIEWHKQNAJHX-UHFFFAOYSA-N 1 2 234.262 2.105 20 30 BEEDLO C#Cc1cc(Nc2ccc3cnn(C)c3c2)cc[nH+]1 ZINC001174337363 976560000 /nfs/dbraw/zinc/56/00/00/976560000.db2.gz PIJCYUVPVZPFTH-UHFFFAOYSA-N 1 2 248.289 2.115 20 30 BEEDLO C=C(C)c1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1 ZINC001229077872 976704959 /nfs/dbraw/zinc/70/49/59/976704959.db2.gz CQTRUTRRWFZFRA-OAHLLOKOSA-N 1 2 247.338 2.429 20 30 BEEDLO C=C(C)c1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001229077872 976704972 /nfs/dbraw/zinc/70/49/72/976704972.db2.gz CQTRUTRRWFZFRA-OAHLLOKOSA-N 1 2 247.338 2.429 20 30 BEEDLO C#Cc1cc(Nc2ccc(C)c(N)c2)cc[nH+]1 ZINC001174929857 977144155 /nfs/dbraw/zinc/14/41/55/977144155.db2.gz KZLRFSJJDSSBGB-UHFFFAOYSA-N 1 2 223.279 2.119 20 30 BEEDLO C#Cc1cc(Nc2cc(F)cc(OC)c2)cc[nH+]1 ZINC001175007426 977207784 /nfs/dbraw/zinc/20/77/84/977207784.db2.gz NWLVUAGEVDGDLN-UHFFFAOYSA-N 1 2 242.253 2.376 20 30 BEEDLO C#Cc1cccnc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175339121 977386883 /nfs/dbraw/zinc/38/68/83/977386883.db2.gz WYXNILDPGWCEOW-UHFFFAOYSA-N 1 2 238.294 2.268 20 30 BEEDLO C#Cc1cc(Nc2cccc3nn(C)cc32)cc[nH+]1 ZINC001175588139 977513816 /nfs/dbraw/zinc/51/38/16/977513816.db2.gz DPDBUWNTSLIYGT-UHFFFAOYSA-N 1 2 248.289 2.115 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cccnc23)C1 ZINC001231491211 977614583 /nfs/dbraw/zinc/61/45/83/977614583.db2.gz IOACUSKSJQSACG-NSHDSACASA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cccnc23)C1 ZINC001231491211 977614587 /nfs/dbraw/zinc/61/45/87/977614587.db2.gz IOACUSKSJQSACG-NSHDSACASA-N 1 2 240.310 2.298 20 30 BEEDLO C#Cc1cc(Nc2ccc3cn(C)nc3c2)cc[nH+]1 ZINC001175610540 977618513 /nfs/dbraw/zinc/61/85/13/977618513.db2.gz JTNGSUCDFZCMFR-UHFFFAOYSA-N 1 2 248.289 2.115 20 30 BEEDLO C#Cc1cc(Nc2ccc3nn(C)cc3c2)cc[nH+]1 ZINC001175617925 977623921 /nfs/dbraw/zinc/62/39/21/977623921.db2.gz LQWHNNRJKFKBGL-UHFFFAOYSA-N 1 2 248.289 2.115 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cc3cc[nH]c3cn2)C1 ZINC001231672936 977681734 /nfs/dbraw/zinc/68/17/34/977681734.db2.gz KLUJZCOUXSCDKC-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc3cc[nH]c3cn2)C1 ZINC001231672936 977681749 /nfs/dbraw/zinc/68/17/49/977681749.db2.gz KLUJZCOUXSCDKC-CQSZACIVSA-N 1 2 240.310 2.298 20 30 BEEDLO C#CCC[NH2+][C@H](CCCC(C)C)C(=O)OCC ZINC001176012210 977860017 /nfs/dbraw/zinc/86/00/17/977860017.db2.gz XSDLVYHMCXEHEK-CYBMUJFWSA-N 1 2 239.359 2.357 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc3ncccc3[nH]2)C1 ZINC001232066939 977879374 /nfs/dbraw/zinc/87/93/74/977879374.db2.gz GNHTZCMDMBKXQK-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc3ncccc3[nH]2)C1 ZINC001232066939 977879375 /nfs/dbraw/zinc/87/93/75/977879375.db2.gz GNHTZCMDMBKXQK-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO Cc1cccnc1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC001336748965 977907824 /nfs/dbraw/zinc/90/78/24/977907824.db2.gz LMAWZNOHBUDCCI-OLZOCXBDSA-N 1 2 242.326 2.484 20 30 BEEDLO Cc1cccnc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC001336748967 977911380 /nfs/dbraw/zinc/91/13/80/977911380.db2.gz LMAWZNOHBUDCCI-STQMWFEESA-N 1 2 242.326 2.484 20 30 BEEDLO CCCC[N@H+](CCC#N)Cc1ccc(N)nc1 ZINC001232368124 978038931 /nfs/dbraw/zinc/03/89/31/978038931.db2.gz RSXYKXCFCMWQHK-UHFFFAOYSA-N 1 2 232.331 2.180 20 30 BEEDLO CCCC[N@@H+](CCC#N)Cc1ccc(N)nc1 ZINC001232368124 978038941 /nfs/dbraw/zinc/03/89/41/978038941.db2.gz RSXYKXCFCMWQHK-UHFFFAOYSA-N 1 2 232.331 2.180 20 30 BEEDLO C=CC[NH+](CC=C)Cc1[nH]nc2c1CCC2 ZINC001232429491 978071190 /nfs/dbraw/zinc/07/11/90/978071190.db2.gz REAAVINKNOIFPS-UHFFFAOYSA-N 1 2 217.316 2.072 20 30 BEEDLO C#Cc1cc(Nc2ccc(O)cc2F)cc[nH+]1 ZINC001176410621 978077666 /nfs/dbraw/zinc/07/76/66/978077666.db2.gz XUNTWZCLOLQQSW-UHFFFAOYSA-N 1 2 228.226 2.073 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2cc(F)ccn2)CC1 ZINC001232495272 978146164 /nfs/dbraw/zinc/14/61/64/978146164.db2.gz UXACUEXPQAWTEM-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO N#Cc1ccc(O)c(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC001232673398 978233248 /nfs/dbraw/zinc/23/32/48/978233248.db2.gz FIIBOMUWVQFBNW-CHWSQXEVSA-N 1 2 242.322 2.496 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c1 ZINC001232678225 978241050 /nfs/dbraw/zinc/24/10/50/978241050.db2.gz RALRXKBBYWIDJP-WCQYABFASA-N 1 2 228.295 2.248 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H]3C[C@H]32)c1 ZINC001232678225 978241068 /nfs/dbraw/zinc/24/10/68/978241068.db2.gz RALRXKBBYWIDJP-WCQYABFASA-N 1 2 228.295 2.248 20 30 BEEDLO CCC[N@H+](CC)Cc1cc(C#N)ccc1O ZINC001232674366 978241805 /nfs/dbraw/zinc/24/18/05/978241805.db2.gz YBZPELXPVLGJGP-UHFFFAOYSA-N 1 2 218.300 2.496 20 30 BEEDLO CCC[N@@H+](CC)Cc1cc(C#N)ccc1O ZINC001232674366 978241824 /nfs/dbraw/zinc/24/18/24/978241824.db2.gz YBZPELXPVLGJGP-UHFFFAOYSA-N 1 2 218.300 2.496 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC3(CC3)C2)c1 ZINC001232675676 978245807 /nfs/dbraw/zinc/24/58/07/978245807.db2.gz SXDHQQWCOOHEPJ-UHFFFAOYSA-N 1 2 228.295 2.250 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2CCC3(CC3)C2)c1 ZINC001232675676 978245812 /nfs/dbraw/zinc/24/58/12/978245812.db2.gz SXDHQQWCOOHEPJ-UHFFFAOYSA-N 1 2 228.295 2.250 20 30 BEEDLO N#C[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(O)cc23)C1 ZINC001232870795 978316277 /nfs/dbraw/zinc/31/62/77/978316277.db2.gz KASSPLZKRIIBNK-SNVBAGLBSA-N 1 2 241.294 2.219 20 30 BEEDLO N#C[C@H]1CC[N@H+](Cc2c[nH]c3ccc(O)cc23)C1 ZINC001232870795 978316286 /nfs/dbraw/zinc/31/62/86/978316286.db2.gz KASSPLZKRIIBNK-SNVBAGLBSA-N 1 2 241.294 2.219 20 30 BEEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001232890171 978323159 /nfs/dbraw/zinc/32/31/59/978323159.db2.gz YNODXJQGUXCALR-ZIAGYGMSSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001232890171 978323166 /nfs/dbraw/zinc/32/31/66/978323166.db2.gz YNODXJQGUXCALR-ZIAGYGMSSA-N 1 2 246.285 2.061 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@@]23CCOC3)c(C#N)c1 ZINC001232968840 978371363 /nfs/dbraw/zinc/37/13/63/978371363.db2.gz NUBMHKLLXXAOEU-HNNXBMFYSA-N 1 2 242.322 2.232 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@@]23CCOC3)c(C#N)c1 ZINC001232968840 978371373 /nfs/dbraw/zinc/37/13/73/978371373.db2.gz NUBMHKLLXXAOEU-HNNXBMFYSA-N 1 2 242.322 2.232 20 30 BEEDLO N#Cc1cc[nH]c1C[NH+]1CC2(C1)CCCC2 ZINC001233046364 978429670 /nfs/dbraw/zinc/42/96/70/978429670.db2.gz UUIMIJRRULVARJ-UHFFFAOYSA-N 1 2 215.300 2.262 20 30 BEEDLO N#CC[C@@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233047228 978434906 /nfs/dbraw/zinc/43/49/06/978434906.db2.gz SFTHFVIYCABCSX-NSHDSACASA-N 1 2 228.299 2.012 20 30 BEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233047228 978434917 /nfs/dbraw/zinc/43/49/17/978434917.db2.gz SFTHFVIYCABCSX-NSHDSACASA-N 1 2 228.299 2.012 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cnc1C ZINC001233163049 978482220 /nfs/dbraw/zinc/48/22/20/978482220.db2.gz PTWFKQFWVNMARB-CQSZACIVSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)cnc1C ZINC001233163049 978482228 /nfs/dbraw/zinc/48/22/28/978482228.db2.gz PTWFKQFWVNMARB-CQSZACIVSA-N 1 2 229.327 2.434 20 30 BEEDLO CCCN(CCC#N)Cc1cccc2[nH+]ccn21 ZINC001233363217 978575778 /nfs/dbraw/zinc/57/57/78/978575778.db2.gz ODWIZCXNTKTZPT-UHFFFAOYSA-N 1 2 242.326 2.460 20 30 BEEDLO C=CCc1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001233593852 978641104 /nfs/dbraw/zinc/64/11/04/978641104.db2.gz FDSWNSIJUCOSOC-HNNXBMFYSA-N 1 2 247.338 2.125 20 30 BEEDLO C=CCc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001233593852 978641109 /nfs/dbraw/zinc/64/11/09/978641109.db2.gz FDSWNSIJUCOSOC-HNNXBMFYSA-N 1 2 247.338 2.125 20 30 BEEDLO C#CC[N@@H+](C)Cc1cn2c(cccc2Cl)n1 ZINC001233599766 978645745 /nfs/dbraw/zinc/64/57/45/978645745.db2.gz ONNXWSRHKFIHBZ-UHFFFAOYSA-N 1 2 233.702 2.053 20 30 BEEDLO C#CC[N@H+](C)Cc1cn2c(cccc2Cl)n1 ZINC001233599766 978645754 /nfs/dbraw/zinc/64/57/54/978645754.db2.gz ONNXWSRHKFIHBZ-UHFFFAOYSA-N 1 2 233.702 2.053 20 30 BEEDLO C=C1CC[NH+](Cc2ncccc2F)CC1 ZINC001180007337 978806439 /nfs/dbraw/zinc/80/64/39/978806439.db2.gz VMHVTODRBRMAMX-UHFFFAOYSA-N 1 2 206.264 2.373 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cccn1C(F)F ZINC001180202931 978840119 /nfs/dbraw/zinc/84/01/19/978840119.db2.gz FOPXNTAXOKHEDZ-UHFFFAOYSA-N 1 2 236.265 2.342 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cccn1C(F)F ZINC001180202931 978840121 /nfs/dbraw/zinc/84/01/21/978840121.db2.gz FOPXNTAXOKHEDZ-UHFFFAOYSA-N 1 2 236.265 2.342 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C)[nH]n1 ZINC001339391911 978846495 /nfs/dbraw/zinc/84/64/95/978846495.db2.gz CZCSGNPUBXAVOM-GFCCVEGCSA-N 1 2 205.305 2.259 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C)[nH]n1 ZINC001339391911 978846499 /nfs/dbraw/zinc/84/64/99/978846499.db2.gz CZCSGNPUBXAVOM-GFCCVEGCSA-N 1 2 205.305 2.259 20 30 BEEDLO N#CCc1ccccc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001235530112 979070502 /nfs/dbraw/zinc/07/05/02/979070502.db2.gz QMJVBDODRKOORQ-LBPRGKRZSA-N 1 2 225.295 2.098 20 30 BEEDLO N#CCc1ccccc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001235530112 979070517 /nfs/dbraw/zinc/07/05/17/979070517.db2.gz QMJVBDODRKOORQ-LBPRGKRZSA-N 1 2 225.295 2.098 20 30 BEEDLO CCCCCCCC[N@@H+]1CCN[C@H](C#N)C1 ZINC001235914627 979201005 /nfs/dbraw/zinc/20/10/05/979201005.db2.gz WBZDFMPHEYSLCM-CYBMUJFWSA-N 1 2 223.364 2.144 20 30 BEEDLO CCCCCCCC[N@H+]1CCN[C@H](C#N)C1 ZINC001235914627 979201014 /nfs/dbraw/zinc/20/10/14/979201014.db2.gz WBZDFMPHEYSLCM-CYBMUJFWSA-N 1 2 223.364 2.144 20 30 BEEDLO C=CCCCCCCC[N@@H+]1CCN[C@H](C#N)C1 ZINC001235912618 979202046 /nfs/dbraw/zinc/20/20/46/979202046.db2.gz GREZOYLSUUAMCX-CQSZACIVSA-N 1 2 235.375 2.310 20 30 BEEDLO C=CCCCCCCC[N@H+]1CCN[C@H](C#N)C1 ZINC001235912618 979202059 /nfs/dbraw/zinc/20/20/59/979202059.db2.gz GREZOYLSUUAMCX-CQSZACIVSA-N 1 2 235.375 2.310 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1cccn1C ZINC001203263355 979337576 /nfs/dbraw/zinc/33/75/76/979337576.db2.gz BMGKXEGRZKUMAS-UHFFFAOYSA-N 1 2 205.305 2.151 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1cccn1C ZINC001203263355 979337583 /nfs/dbraw/zinc/33/75/83/979337583.db2.gz BMGKXEGRZKUMAS-UHFFFAOYSA-N 1 2 205.305 2.151 20 30 BEEDLO C#Cc1cnc(Nc2ccc(C)[nH+]c2C)c(C#C)n1 ZINC001203370660 979474307 /nfs/dbraw/zinc/47/43/07/979474307.db2.gz RVCRJQBMOQRCDO-UHFFFAOYSA-N 1 2 248.289 2.195 20 30 BEEDLO N#CCc1ccc(-c2ccc(N)[nH+]c2)cc1C#N ZINC001236313495 979520737 /nfs/dbraw/zinc/52/07/37/979520737.db2.gz RKXJHXIBIHULAT-UHFFFAOYSA-N 1 2 234.262 2.269 20 30 BEEDLO CN1CCOc2cc(CCCCC#N)c[nH+]c21 ZINC001250065864 979548072 /nfs/dbraw/zinc/54/80/72/979548072.db2.gz HUCSEDICMZWEPG-UHFFFAOYSA-N 1 2 231.299 2.147 20 30 BEEDLO N#CC1CC[NH+](Cc2ccc(F)c(O)c2)CC1 ZINC001236704162 979699580 /nfs/dbraw/zinc/69/95/80/979699580.db2.gz SOSVVASBCGNWRN-UHFFFAOYSA-N 1 2 234.274 2.267 20 30 BEEDLO N#Cc1cc(C[N@H+]2CCCC[C@H](F)C2)ccn1 ZINC001237459339 979905123 /nfs/dbraw/zinc/90/51/23/979905123.db2.gz NSLMPRBKGXKQLZ-LBPRGKRZSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H](F)C2)ccn1 ZINC001237459339 979905128 /nfs/dbraw/zinc/90/51/28/979905128.db2.gz NSLMPRBKGXKQLZ-LBPRGKRZSA-N 1 2 233.290 2.277 20 30 BEEDLO COc1c(C)cccc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001237512370 979926038 /nfs/dbraw/zinc/92/60/38/979926038.db2.gz CYFCZRXDQBPXBJ-LBPRGKRZSA-N 1 2 230.311 2.349 20 30 BEEDLO COc1c(C)cccc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001237512370 979926048 /nfs/dbraw/zinc/92/60/48/979926048.db2.gz CYFCZRXDQBPXBJ-LBPRGKRZSA-N 1 2 230.311 2.349 20 30 BEEDLO C=CC[N@@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237529538 979930580 /nfs/dbraw/zinc/93/05/80/979930580.db2.gz GKXRVAHYJVQDBX-UHFFFAOYSA-N 1 2 222.238 2.454 20 30 BEEDLO C=CC[N@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237529538 979930586 /nfs/dbraw/zinc/93/05/86/979930586.db2.gz GKXRVAHYJVQDBX-UHFFFAOYSA-N 1 2 222.238 2.454 20 30 BEEDLO CC1C[NH+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237525760 979932501 /nfs/dbraw/zinc/93/25/01/979932501.db2.gz VKVCXGXWWMYPRK-UHFFFAOYSA-N 1 2 222.238 2.288 20 30 BEEDLO Cc1cnc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)nc1 ZINC001237808884 980062974 /nfs/dbraw/zinc/06/29/74/980062974.db2.gz SIZIHRYDKZAUDP-XYYAHUGASA-N 1 2 242.326 2.052 20 30 BEEDLO Cc1cnc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)nc1 ZINC001237808884 980062986 /nfs/dbraw/zinc/06/29/86/980062986.db2.gz SIZIHRYDKZAUDP-XYYAHUGASA-N 1 2 242.326 2.052 20 30 BEEDLO C[N@H+](CCC#N)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238196754 980224539 /nfs/dbraw/zinc/22/45/39/980224539.db2.gz VBWPXDCTKLTQMB-UHFFFAOYSA-N 1 2 240.310 2.422 20 30 BEEDLO C[N@@H+](CCC#N)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238196754 980224555 /nfs/dbraw/zinc/22/45/55/980224555.db2.gz VBWPXDCTKLTQMB-UHFFFAOYSA-N 1 2 240.310 2.422 20 30 BEEDLO CC#CCCCC(=O)OCCCc1c[nH+]cn1C ZINC001343740998 980231589 /nfs/dbraw/zinc/23/15/89/980231589.db2.gz ZJXIAFOAZLKNLV-UHFFFAOYSA-N 1 2 248.326 2.090 20 30 BEEDLO N#Cc1cccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240213854 981160914 /nfs/dbraw/zinc/16/09/14/981160914.db2.gz DWOFMTCEBKSOTJ-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO N#CCc1cccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240214942 981165071 /nfs/dbraw/zinc/16/50/71/981165071.db2.gz RPLMWVWUDODGOV-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1noc(C)n1 ZINC001193238286 981279368 /nfs/dbraw/zinc/27/93/68/981279368.db2.gz IJNYFVXYFPLDDD-DCAQKATOSA-N 1 2 234.303 2.111 20 30 BEEDLO N#CCc1cc(-c2ccn3cc[nH+]c3c2)ccn1 ZINC001240511908 981436403 /nfs/dbraw/zinc/43/64/03/981436403.db2.gz LEYQEHUJGUTTQR-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO N#CCc1ncccc1-c1ccn2cc[nH+]c2c1 ZINC001240512378 981439280 /nfs/dbraw/zinc/43/92/80/981439280.db2.gz UDSSZNMGOQCLBL-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO C#CCC(C)(C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001349024502 981499237 /nfs/dbraw/zinc/49/92/37/981499237.db2.gz UWMCFGGCWCMZJE-UHFFFAOYSA-N 1 2 248.326 2.211 20 30 BEEDLO Cc1cc(N(C)C)[nH+]cc1-c1cc(C#N)ccn1 ZINC001241228454 982379352 /nfs/dbraw/zinc/37/93/52/982379352.db2.gz NAQXSCCHPANPRW-UHFFFAOYSA-N 1 2 238.294 2.390 20 30 BEEDLO CC(C)n1ncc(C#N)c1Nc1ccc(N)[nH+]c1 ZINC001201278192 983179107 /nfs/dbraw/zinc/17/91/07/983179107.db2.gz FDWZUBYSJFIDDW-UHFFFAOYSA-N 1 2 242.286 2.056 20 30 BEEDLO N#Cc1ccc(Nc2ccc(N)[nH+]c2)c(C#N)c1 ZINC001201295961 983181121 /nfs/dbraw/zinc/18/11/21/983181121.db2.gz ZLECIHDBBWHYEW-UHFFFAOYSA-N 1 2 235.250 2.151 20 30 BEEDLO C#C[C@@H]1CCCN(c2ccc(CC)c[nH+]2)C1 ZINC001354226883 983208769 /nfs/dbraw/zinc/20/87/69/983208769.db2.gz JTZURZJNMHEYSI-CYBMUJFWSA-N 1 2 214.312 2.494 20 30 BEEDLO N#Cc1ncccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001242312936 983545274 /nfs/dbraw/zinc/54/52/74/983545274.db2.gz HWNYQNSMMCRJBS-UHFFFAOYSA-N 1 2 236.278 2.016 20 30 BEEDLO Cc1cccc2c(C[NH+]3CC(CC#N)C3)[nH]nc21 ZINC001137141840 983966806 /nfs/dbraw/zinc/96/68/06/983966806.db2.gz LADJADNDKISKNZ-UHFFFAOYSA-N 1 2 240.310 2.217 20 30 BEEDLO C#C[C@H]([NH2+]C/C(Cl)=C\Cl)[C@@H]1CCCO1 ZINC000389282959 984325485 /nfs/dbraw/zinc/32/54/85/984325485.db2.gz SYQLTQJQGNVVTD-OKJFYCPLSA-N 1 2 234.126 2.076 20 30 BEEDLO CN(C)c1ccccc1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932156563 985013713 /nfs/dbraw/zinc/01/37/13/985013713.db2.gz IJVSJHYOIYEPMW-ZDUSSCGKSA-N 1 2 243.354 2.488 20 30 BEEDLO CN(C)c1ccccc1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000932156563 985013722 /nfs/dbraw/zinc/01/37/22/985013722.db2.gz IJVSJHYOIYEPMW-ZDUSSCGKSA-N 1 2 243.354 2.488 20 30 BEEDLO C=C[C@@H](CC)CC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001456146670 985114378 /nfs/dbraw/zinc/11/43/78/985114378.db2.gz ZYBPBKRPOBOOFV-JTQLQIEISA-N 1 2 235.331 2.191 20 30 BEEDLO C=C[C@@H](CC)CC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001456146670 985114384 /nfs/dbraw/zinc/11/43/84/985114384.db2.gz ZYBPBKRPOBOOFV-JTQLQIEISA-N 1 2 235.331 2.191 20 30 BEEDLO CC(C)c1[nH]cc(CNC(=O)C#CC(C)(C)C)[nH+]1 ZINC001456336834 985135283 /nfs/dbraw/zinc/13/52/83/985135283.db2.gz DHKHCDHTWLTQIM-UHFFFAOYSA-N 1 2 247.342 2.199 20 30 BEEDLO CC(C)c1[nH]c(CNC(=O)C#CC(C)(C)C)c[nH+]1 ZINC001456336834 985135290 /nfs/dbraw/zinc/13/52/90/985135290.db2.gz DHKHCDHTWLTQIM-UHFFFAOYSA-N 1 2 247.342 2.199 20 30 BEEDLO C#CCCCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000686684867 985205296 /nfs/dbraw/zinc/20/52/96/985205296.db2.gz MJNYCPKVKNMSRY-LLVKDONJSA-N 1 2 249.276 2.443 20 30 BEEDLO C#CCCCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000686684867 985205310 /nfs/dbraw/zinc/20/53/10/985205310.db2.gz MJNYCPKVKNMSRY-LLVKDONJSA-N 1 2 249.276 2.443 20 30 BEEDLO N#Cc1cc2c(nc1C1=C[NH2+]CCC1)CCC2 ZINC001243948344 985627340 /nfs/dbraw/zinc/62/73/40/985627340.db2.gz BPHWUVPZXLBUNL-UHFFFAOYSA-N 1 2 225.295 2.166 20 30 BEEDLO C[C@@H](c1csnn1)[NH+]1CCC(CC#N)CC1 ZINC001459932591 985670920 /nfs/dbraw/zinc/67/09/20/985670920.db2.gz LMMRFMORIQQAAE-VIFPVBQESA-N 1 2 236.344 2.225 20 30 BEEDLO N#Cc1ccc(-c2ccn3cc[nH+]c3c2)c(N)c1 ZINC001244083738 985790277 /nfs/dbraw/zinc/79/02/77/985790277.db2.gz FHABTMKPDUQCAP-UHFFFAOYSA-N 1 2 234.262 2.455 20 30 BEEDLO CN(C)c1cc(-c2ccc(C#N)cc2N)cc[nH+]1 ZINC001244088581 985804607 /nfs/dbraw/zinc/80/46/07/985804607.db2.gz JTIUHTMDIMQQNU-UHFFFAOYSA-N 1 2 238.294 2.268 20 30 BEEDLO N#Cc1cnccc1-c1cccc2[nH+]ccn21 ZINC001244333489 985966602 /nfs/dbraw/zinc/96/66/02/985966602.db2.gz GYNKYJFOIKYNOD-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO N#Cc1cnccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001244336326 985978142 /nfs/dbraw/zinc/97/81/42/985978142.db2.gz VFVJCWDFYPRNAG-UHFFFAOYSA-N 1 2 236.278 2.016 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(CO)cs1 ZINC001462160095 986295873 /nfs/dbraw/zinc/29/58/73/986295873.db2.gz AONLFNZOHBPJPN-NSHDSACASA-N 1 2 238.356 2.176 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(CO)cs1 ZINC001462160095 986295885 /nfs/dbraw/zinc/29/58/85/986295885.db2.gz AONLFNZOHBPJPN-NSHDSACASA-N 1 2 238.356 2.176 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H](CO)c1cccc(F)c1 ZINC001255154511 986827396 /nfs/dbraw/zinc/82/73/96/986827396.db2.gz IOIFPPOLEXLELX-QWHCGFSZSA-N 1 2 236.290 2.141 20 30 BEEDLO CC[C@H](CC#N)[NH2+]C1(c2ccccn2)CC1 ZINC001255156953 986828368 /nfs/dbraw/zinc/82/83/68/986828368.db2.gz UYKXGWZGFGSWPS-LLVKDONJSA-N 1 2 215.300 2.353 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@@H](CO)c1cccc(OC)c1 ZINC001255155790 986828757 /nfs/dbraw/zinc/82/87/57/986828757.db2.gz TYYPYDPNFPTQKF-JSGCOSHPSA-N 1 2 248.326 2.010 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@@H]1COc2c1cccc2OC ZINC001255163040 986839353 /nfs/dbraw/zinc/83/93/53/986839353.db2.gz BDQCOKCOMOFRPL-ZYHUDNBSSA-N 1 2 246.310 2.411 20 30 BEEDLO Cc1cc(-c2ccnc3[nH]cc(C#N)c32)c[nH+]c1N ZINC001245539033 986921749 /nfs/dbraw/zinc/92/17/49/986921749.db2.gz PQDAVECWVKKZOQ-UHFFFAOYSA-N 1 2 249.277 2.387 20 30 BEEDLO C=CCN(C(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001468643477 986924783 /nfs/dbraw/zinc/92/47/83/986924783.db2.gz BHEODMBTHSFKNI-UHFFFAOYSA-N 1 2 241.294 2.171 20 30 BEEDLO Cc1cc(-c2cccnc2CC#N)c[nH+]c1N ZINC001245539010 986928089 /nfs/dbraw/zinc/92/80/89/986928089.db2.gz CQVGJZJPLPEXFT-UHFFFAOYSA-N 1 2 224.267 2.100 20 30 BEEDLO CC(C)c1[nH]cc(CNc2ncccc2C#N)[nH+]1 ZINC001472885759 987298335 /nfs/dbraw/zinc/29/83/35/987298335.db2.gz AKJYPNCRQWTTIA-UHFFFAOYSA-N 1 2 241.298 2.412 20 30 BEEDLO CC(C)c1[nH]c(CNc2ncccc2C#N)c[nH+]1 ZINC001472885759 987298344 /nfs/dbraw/zinc/29/83/44/987298344.db2.gz AKJYPNCRQWTTIA-UHFFFAOYSA-N 1 2 241.298 2.412 20 30 BEEDLO N#Cc1cnccc1C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001473294083 987391312 /nfs/dbraw/zinc/39/13/12/987391312.db2.gz GNHLNPSPJZAEIQ-NWDGAFQWSA-N 1 2 249.264 2.040 20 30 BEEDLO N#Cc1cnccc1C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001473294083 987391319 /nfs/dbraw/zinc/39/13/19/987391319.db2.gz GNHLNPSPJZAEIQ-NWDGAFQWSA-N 1 2 249.264 2.040 20 30 BEEDLO Oc1cccc(/C=[NH+]/CCC2CCOCC2)c1O ZINC001116062637 987437510 /nfs/dbraw/zinc/43/75/10/987437510.db2.gz GCETWUCAKMSAMW-XNTDXEJSSA-N 1 2 249.310 2.333 20 30 BEEDLO C#C[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001476697619 987848674 /nfs/dbraw/zinc/84/86/74/987848674.db2.gz COXVZGCSFDFSCD-VIFPVBQESA-N 1 2 231.299 2.150 20 30 BEEDLO C=C(C)CCC(=O)NC1C[NH+](CC=C(C)C)C1 ZINC001494396539 988140986 /nfs/dbraw/zinc/14/09/86/988140986.db2.gz PDWHTGHYBRZUBZ-UHFFFAOYSA-N 1 2 236.359 2.109 20 30 BEEDLO CCCCCC[C@@H](C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246836084 988533576 /nfs/dbraw/zinc/53/35/76/988533576.db2.gz MSAVQCQLCPZUHO-CHWSQXEVSA-N 1 2 223.364 2.143 20 30 BEEDLO CCCCCC[C@@H](C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246836084 988533580 /nfs/dbraw/zinc/53/35/80/988533580.db2.gz MSAVQCQLCPZUHO-CHWSQXEVSA-N 1 2 223.364 2.143 20 30 BEEDLO CC(C)(C)C1CCC([N@@H+]2CCN[C@H](C#N)C2)CC1 ZINC001246838824 988538303 /nfs/dbraw/zinc/53/83/03/988538303.db2.gz VVUUBMJZPHDULB-ROKHWSDSSA-N 1 2 249.402 2.389 20 30 BEEDLO CC(C)(C)C1CCC([N@H+]2CCN[C@H](C#N)C2)CC1 ZINC001246838824 988538315 /nfs/dbraw/zinc/53/83/15/988538315.db2.gz VVUUBMJZPHDULB-ROKHWSDSSA-N 1 2 249.402 2.389 20 30 BEEDLO CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246837962 988540158 /nfs/dbraw/zinc/54/01/58/988540158.db2.gz RWNXQVHTVPZHAO-MGPQQGTHSA-N 1 2 237.391 2.245 20 30 BEEDLO CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246837962 988540170 /nfs/dbraw/zinc/54/01/70/988540170.db2.gz RWNXQVHTVPZHAO-MGPQQGTHSA-N 1 2 237.391 2.245 20 30 BEEDLO Cc1nnn([NH+]=CC(C)(C)CCC#N)c1C ZINC001119358467 989005229 /nfs/dbraw/zinc/00/52/29/989005229.db2.gz XPRKUSZBCFIHOJ-UHFFFAOYSA-N 1 2 219.292 2.059 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCC12COC2 ZINC001248751150 989139659 /nfs/dbraw/zinc/13/96/59/989139659.db2.gz KZDHUNPGGAKTAH-UHFFFAOYSA-N 1 2 242.322 2.095 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@H+]1CCC12COC2 ZINC001248751150 989139665 /nfs/dbraw/zinc/13/96/65/989139665.db2.gz KZDHUNPGGAKTAH-UHFFFAOYSA-N 1 2 242.322 2.095 20 30 BEEDLO COc1ccc(C[NH+]2CC(C)(C)C2)c(C#N)c1 ZINC001137698405 990842222 /nfs/dbraw/zinc/84/22/22/990842222.db2.gz VVBPCMWEVOWCQT-UHFFFAOYSA-N 1 2 230.311 2.409 20 30 BEEDLO CCOC(=O)CCC[C@H](C)[NH2+][C@](C)(C#N)CC ZINC001258106518 991018790 /nfs/dbraw/zinc/01/87/90/991018790.db2.gz DIAYDIYGIHPKIT-AAEUAGOBSA-N 1 2 240.347 2.390 20 30 BEEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)cc(C)n1 ZINC001308625609 991064903 /nfs/dbraw/zinc/06/49/03/991064903.db2.gz KVPYKRLHMHZBAU-SNVBAGLBSA-N 1 2 217.316 2.290 20 30 BEEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)cc(C)n1 ZINC001308625609 991064912 /nfs/dbraw/zinc/06/49/12/991064912.db2.gz KVPYKRLHMHZBAU-SNVBAGLBSA-N 1 2 217.316 2.290 20 30 BEEDLO CCc1[nH]c(CNc2nccc(C)c2C#N)c[nH+]1 ZINC001559290478 991066143 /nfs/dbraw/zinc/06/61/43/991066143.db2.gz PBSTVBCNCSZXIX-UHFFFAOYSA-N 1 2 241.298 2.159 20 30 BEEDLO CCc1[nH]cc(CNc2nccc(C)c2C#N)[nH+]1 ZINC001559290478 991066148 /nfs/dbraw/zinc/06/61/48/991066148.db2.gz PBSTVBCNCSZXIX-UHFFFAOYSA-N 1 2 241.298 2.159 20 30 BEEDLO C=CCOc1ccccc1C[N@@H+](CC)C1COC1 ZINC001139029808 991127921 /nfs/dbraw/zinc/12/79/21/991127921.db2.gz PFGCJWLQSGPALY-UHFFFAOYSA-N 1 2 247.338 2.472 20 30 BEEDLO C=CCOc1ccccc1C[N@H+](CC)C1COC1 ZINC001139029808 991127926 /nfs/dbraw/zinc/12/79/26/991127926.db2.gz PFGCJWLQSGPALY-UHFFFAOYSA-N 1 2 247.338 2.472 20 30 BEEDLO C=CCC1(O)C[NH+](C/C=C\c2ccc(F)cc2)C1 ZINC001308982732 991250281 /nfs/dbraw/zinc/25/02/81/991250281.db2.gz WLHSXTMUFYFTAP-ARJAWSKDSA-N 1 2 247.313 2.462 20 30 BEEDLO C=CCn1cc(C[N@H+]2CCC[C@@H](F)C2)cn1 ZINC001139770075 991365663 /nfs/dbraw/zinc/36/56/63/991365663.db2.gz BWLGVXWSBYJQOR-GFCCVEGCSA-N 1 2 223.295 2.003 20 30 BEEDLO C=CCn1cc(C[N@@H+]2CCC[C@@H](F)C2)cn1 ZINC001139770075 991365667 /nfs/dbraw/zinc/36/56/67/991365667.db2.gz BWLGVXWSBYJQOR-GFCCVEGCSA-N 1 2 223.295 2.003 20 30 BEEDLO CC1(C)CC[C@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001258598290 991498018 /nfs/dbraw/zinc/49/80/18/991498018.db2.gz QIRZRGGYXNIBTN-NSHDSACASA-N 1 2 222.332 2.227 20 30 BEEDLO CC1(C)CC[C@@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001258598288 991498814 /nfs/dbraw/zinc/49/88/14/991498814.db2.gz QIRZRGGYXNIBTN-LLVKDONJSA-N 1 2 222.332 2.227 20 30 BEEDLO CCOc1ccc(/C=[NH+]/C[C@H]2CCOC2)c(O)c1 ZINC001317847567 991593030 /nfs/dbraw/zinc/59/30/30/991593030.db2.gz LKUAQIXJSJSVAT-BTAWCLGRSA-N 1 2 249.310 2.246 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2ccc3n[nH]cc3c2)C1 ZINC001140386924 991629943 /nfs/dbraw/zinc/62/99/43/991629943.db2.gz XHJCMIZDESRTTD-GFCCVEGCSA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc3n[nH]cc3c2)C1 ZINC001140386924 991629949 /nfs/dbraw/zinc/62/99/49/991629949.db2.gz XHJCMIZDESRTTD-GFCCVEGCSA-N 1 2 240.310 2.298 20 30 BEEDLO C=CCC[C@@H](C)[NH2+]CC(F)(F)C(=O)OCC ZINC001258718568 991642838 /nfs/dbraw/zinc/64/28/38/991642838.db2.gz QQWUKAXDYFGVAP-SECBINFHSA-N 1 2 235.274 2.129 20 30 BEEDLO C=CCC[C@H](C)[NH2+][C@@]1(C(=O)OCC)C[C@@H]1C=C ZINC001258722301 991655462 /nfs/dbraw/zinc/65/54/62/991655462.db2.gz NQMAWEZQGJTDPW-OBJOEFQTSA-N 1 2 237.343 2.439 20 30 BEEDLO C=CCC[C@H](C)[NH2+][C@]1(C(=O)OCC)C[C@@H]1C=C ZINC001258722304 991656184 /nfs/dbraw/zinc/65/61/84/991656184.db2.gz NQMAWEZQGJTDPW-SGMGOOAPSA-N 1 2 237.343 2.439 20 30 BEEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC)C1 ZINC001567868540 992110611 /nfs/dbraw/zinc/11/06/11/992110611.db2.gz GDXQCYUITGKQDG-NSHDSACASA-N 1 2 244.766 2.120 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC)C1 ZINC001567868540 992110618 /nfs/dbraw/zinc/11/06/18/992110618.db2.gz GDXQCYUITGKQDG-NSHDSACASA-N 1 2 244.766 2.120 20 30 BEEDLO C=CC[C@@H]([NH2+]C1CC(C(F)F)C1)C(=O)OCC ZINC001320788225 992358300 /nfs/dbraw/zinc/35/83/00/992358300.db2.gz OBTGIDLVFGHFNH-UDNWOFFPSA-N 1 2 247.285 2.128 20 30 BEEDLO C=C/C(C)=C/CC(=O)N(C)C1C[NH+](CC(=C)C)C1 ZINC001569497322 992399672 /nfs/dbraw/zinc/39/96/72/992399672.db2.gz AHEHDTUNYLXXEC-NTUHNPAUSA-N 1 2 248.370 2.228 20 30 BEEDLO C#CC[N@@H+](Cc1ccnc(OC)c1F)CC1CC1 ZINC001262357364 992855275 /nfs/dbraw/zinc/85/52/75/992855275.db2.gz IVHSUTSDHPXTDI-UHFFFAOYSA-N 1 2 248.301 2.075 20 30 BEEDLO C#CC[N@H+](Cc1ccnc(OC)c1F)CC1CC1 ZINC001262357364 992855276 /nfs/dbraw/zinc/85/52/76/992855276.db2.gz IVHSUTSDHPXTDI-UHFFFAOYSA-N 1 2 248.301 2.075 20 30 BEEDLO C=CCOCCNc1cc(CC)[nH+]c(CC)n1 ZINC001262369578 992863647 /nfs/dbraw/zinc/86/36/47/992863647.db2.gz IXPWWHSTDVPLIE-UHFFFAOYSA-N 1 2 235.331 2.216 20 30 BEEDLO CCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000701699115 993904253 /nfs/dbraw/zinc/90/42/53/993904253.db2.gz HONHNVCWPYAJKM-CQSZACIVSA-N 1 2 248.301 2.308 20 30 BEEDLO CCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000701699115 993904260 /nfs/dbraw/zinc/90/42/60/993904260.db2.gz HONHNVCWPYAJKM-CQSZACIVSA-N 1 2 248.301 2.308 20 30 BEEDLO C#Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC001293449931 994654033 /nfs/dbraw/zinc/65/40/33/994654033.db2.gz FJQXMRXWZCADEY-UHFFFAOYSA-N 1 2 236.274 2.046 20 30 BEEDLO N#CCC1(O)C[NH+]([C@@H]2CCCc3ccccc32)C1 ZINC001307709595 995440639 /nfs/dbraw/zinc/44/06/39/995440639.db2.gz FWIGBQBZQGAADN-CQSZACIVSA-N 1 2 242.322 2.024 20 30 BEEDLO C#C[C@H]1CCCCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC001308139726 995552950 /nfs/dbraw/zinc/55/29/50/995552950.db2.gz BFRRRIVHTSDJFO-LBPRGKRZSA-N 1 2 217.316 2.014 20 30 BEEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)C ZINC001498434953 1170052167 /nfs/dbraw/zinc/05/21/67/1170052167.db2.gz UPWJUCVNHGBLLK-SNVBAGLBSA-N 1 2 246.782 2.222 20 30 BEEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C ZINC001498434953 1170052174 /nfs/dbraw/zinc/05/21/74/1170052174.db2.gz UPWJUCVNHGBLLK-SNVBAGLBSA-N 1 2 246.782 2.222 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC001621051220 1170188823 /nfs/dbraw/zinc/18/88/23/1170188823.db2.gz UKHZYNYAVFEGGX-SECBINFHSA-N 1 2 230.271 2.061 20 30 BEEDLO CC[N@H+](CC#N)C[C@H]1CCCC12CCOCC2 ZINC001615354077 1170514436 /nfs/dbraw/zinc/51/44/36/1170514436.db2.gz DKNFTBNOSMZKRJ-CYBMUJFWSA-N 1 2 236.359 2.429 20 30 BEEDLO CC[N@@H+](CC#N)C[C@H]1CCCC12CCOCC2 ZINC001615354077 1170514444 /nfs/dbraw/zinc/51/44/44/1170514444.db2.gz DKNFTBNOSMZKRJ-CYBMUJFWSA-N 1 2 236.359 2.429 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](C)CC ZINC001619905194 1170661527 /nfs/dbraw/zinc/66/15/27/1170661527.db2.gz PXHVGPNEGAOQIN-LBPRGKRZSA-N 1 2 239.359 2.309 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](C)CC ZINC001619905194 1170661531 /nfs/dbraw/zinc/66/15/31/1170661531.db2.gz PXHVGPNEGAOQIN-LBPRGKRZSA-N 1 2 239.359 2.309 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@]1(C)CCCCO1 ZINC001621354741 1170764927 /nfs/dbraw/zinc/76/49/27/1170764927.db2.gz AQKDHUTXLKDYSH-CYBMUJFWSA-N 1 2 222.332 2.347 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@]1(C)CCCCO1 ZINC001621354741 1170764932 /nfs/dbraw/zinc/76/49/32/1170764932.db2.gz AQKDHUTXLKDYSH-CYBMUJFWSA-N 1 2 222.332 2.347 20 30 BEEDLO C#CC[N@@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC001621549604 1170841385 /nfs/dbraw/zinc/84/13/85/1170841385.db2.gz YSFNBUCNUNRDBB-UHFFFAOYSA-N 1 2 247.729 2.292 20 30 BEEDLO C#CC[N@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC001621549604 1170841397 /nfs/dbraw/zinc/84/13/97/1170841397.db2.gz YSFNBUCNUNRDBB-UHFFFAOYSA-N 1 2 247.729 2.292 20 30 BEEDLO CC[C@@H](CC#N)[N@H+](C)Cc1cccnc1 ZINC000036771282 1170915979 /nfs/dbraw/zinc/91/59/79/1170915979.db2.gz PUMGFCLYWIRYGB-LBPRGKRZSA-N 1 2 203.289 2.206 20 30 BEEDLO CC[C@@H](CC#N)[N@@H+](C)Cc1cccnc1 ZINC000036771282 1170915993 /nfs/dbraw/zinc/91/59/93/1170915993.db2.gz PUMGFCLYWIRYGB-LBPRGKRZSA-N 1 2 203.289 2.206 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1nccn1-c1ccccc1 ZINC000191479426 398156179 /nfs/dbraw/zinc/15/61/79/398156179.db2.gz BDUGPQDPQRMLAU-LBPRGKRZSA-N 1 2 240.310 2.122 20 30 BEEDLO C[C@@H](CC#N)N(C)Cc1c[nH+]c2ccccn12 ZINC000161821993 349509544 /nfs/dbraw/zinc/50/95/44/349509544.db2.gz GWYXQVLUECUJAU-NSHDSACASA-N 1 2 228.299 2.068 20 30 BEEDLO N#CCC[N@@H+](Cc1cccnc1)CC1CC1 ZINC000177028656 136216655 /nfs/dbraw/zinc/21/66/55/136216655.db2.gz GCCQKXHQMNMLPC-UHFFFAOYSA-N 1 2 215.300 2.207 20 30 BEEDLO N#CCC[N@H+](Cc1cccnc1)CC1CC1 ZINC000177028656 136216656 /nfs/dbraw/zinc/21/66/56/136216656.db2.gz GCCQKXHQMNMLPC-UHFFFAOYSA-N 1 2 215.300 2.207 20 30 BEEDLO Cc1[nH+]c2ccccn2c1CN(C)[C@H](C)CC#N ZINC000161891643 349513458 /nfs/dbraw/zinc/51/34/58/349513458.db2.gz CNQIXQSJIAONKG-LLVKDONJSA-N 1 2 242.326 2.377 20 30 BEEDLO Cc1nc2ccccn2c1C[N@@H+](C)[C@H](C)CC#N ZINC000161891643 349513459 /nfs/dbraw/zinc/51/34/59/349513459.db2.gz CNQIXQSJIAONKG-LLVKDONJSA-N 1 2 242.326 2.377 20 30 BEEDLO Cc1nc2ccccn2c1C[N@H+](C)[C@H](C)CC#N ZINC000161891643 349513461 /nfs/dbraw/zinc/51/34/61/349513461.db2.gz CNQIXQSJIAONKG-LLVKDONJSA-N 1 2 242.326 2.377 20 30 BEEDLO C=CCC[NH2+]c1ccc(OCC(=O)NC)cc1C ZINC000280069786 398233932 /nfs/dbraw/zinc/23/39/32/398233932.db2.gz PRCYPTUGTSCRRB-UHFFFAOYSA-N 1 2 248.326 2.108 20 30 BEEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccn[nH]1)CC2 ZINC000335871796 398246692 /nfs/dbraw/zinc/24/66/92/398246692.db2.gz VZADRUOVPURRDQ-CQSZACIVSA-N 1 2 238.294 2.058 20 30 BEEDLO CCN(C[C@H](C)C#N)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602449344 349551262 /nfs/dbraw/zinc/55/12/62/349551262.db2.gz ZFBJCYRAGDRWLW-YPMHNXCESA-N 1 2 246.358 2.353 20 30 BEEDLO N#CC[N@H+](CC1CCSCC1)C1CC1 ZINC000602450769 349552242 /nfs/dbraw/zinc/55/22/42/349552242.db2.gz YHTJLSSQDMEZJP-UHFFFAOYSA-N 1 2 210.346 2.118 20 30 BEEDLO N#CC[N@@H+](CC1CCSCC1)C1CC1 ZINC000602450769 349552245 /nfs/dbraw/zinc/55/22/45/349552245.db2.gz YHTJLSSQDMEZJP-UHFFFAOYSA-N 1 2 210.346 2.118 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2nccnc2c1 ZINC000602463247 349557623 /nfs/dbraw/zinc/55/76/23/349557623.db2.gz TXOAKVOVPJTXIH-LLVKDONJSA-N 1 2 240.310 2.364 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000602463247 349557627 /nfs/dbraw/zinc/55/76/27/349557627.db2.gz TXOAKVOVPJTXIH-LLVKDONJSA-N 1 2 240.310 2.364 20 30 BEEDLO Cc1ccc(C#N)cc1NCc1c[nH+]c[nH]1 ZINC000054765312 178367068 /nfs/dbraw/zinc/36/70/68/178367068.db2.gz QELHCMOBFMUIGK-UHFFFAOYSA-N 1 2 212.256 2.202 20 30 BEEDLO Cc1ccc(C#N)cc1NCc1c[nH]c[nH+]1 ZINC000054765312 178367071 /nfs/dbraw/zinc/36/70/71/178367071.db2.gz QELHCMOBFMUIGK-UHFFFAOYSA-N 1 2 212.256 2.202 20 30 BEEDLO COc1ccc[nH+]c1NC[C@H](C)CCC#N ZINC000602580270 349608591 /nfs/dbraw/zinc/60/85/91/349608591.db2.gz XGYZLDBDJODVDR-SNVBAGLBSA-N 1 2 219.288 2.442 20 30 BEEDLO C[C@H](CCC#N)C[N@@H+]1CCC(F)(F)C1 ZINC000602580055 349608619 /nfs/dbraw/zinc/60/86/19/349608619.db2.gz CTSZWBXIEYLPCR-SECBINFHSA-N 1 2 202.248 2.267 20 30 BEEDLO C[C@H](CCC#N)C[N@H+]1CCC(F)(F)C1 ZINC000602580055 349608621 /nfs/dbraw/zinc/60/86/21/349608621.db2.gz CTSZWBXIEYLPCR-SECBINFHSA-N 1 2 202.248 2.267 20 30 BEEDLO Cc1ncc(C[N@@H+](CCC#N)C(C)C)o1 ZINC000600110838 342669939 /nfs/dbraw/zinc/66/99/39/342669939.db2.gz GPZLVEDAKMAKHS-UHFFFAOYSA-N 1 2 207.277 2.107 20 30 BEEDLO Cc1ncc(C[N@H+](CCC#N)C(C)C)o1 ZINC000600110838 342669940 /nfs/dbraw/zinc/66/99/40/342669940.db2.gz GPZLVEDAKMAKHS-UHFFFAOYSA-N 1 2 207.277 2.107 20 30 BEEDLO Cc1nc(C)c(C[NH2+]CC2(C#N)CCC2)o1 ZINC000600164783 342693839 /nfs/dbraw/zinc/69/38/39/342693839.db2.gz KMTMANRFBDQMRG-UHFFFAOYSA-N 1 2 219.288 2.075 20 30 BEEDLO C=CC[C@H]1CC[C@@]2(C1)NC(=O)C[N@H+]2CCCC ZINC000649490039 398287222 /nfs/dbraw/zinc/28/72/22/398287222.db2.gz QDOQWGGMFBHEJP-GXTWGEPZSA-N 1 2 236.359 2.291 20 30 BEEDLO C=CC[C@H]1CC[C@@]2(C1)NC(=O)C[N@@H+]2CCCC ZINC000649490039 398287223 /nfs/dbraw/zinc/28/72/23/398287223.db2.gz QDOQWGGMFBHEJP-GXTWGEPZSA-N 1 2 236.359 2.291 20 30 BEEDLO C=CC[C@@H]1CC[C@]2(C1)[NH2+]C(C)(C)C(=O)N2CC ZINC000649490324 398287900 /nfs/dbraw/zinc/28/79/00/398287900.db2.gz AGPQVPPGCWMWLM-RISCZKNCSA-N 1 2 236.359 2.289 20 30 BEEDLO CCC#C[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000380146987 538986248 /nfs/dbraw/zinc/98/62/48/538986248.db2.gz WXVWJIVDKGWSHY-DTWKUNHWSA-N 1 2 223.345 2.299 20 30 BEEDLO Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602607508 349629713 /nfs/dbraw/zinc/62/97/13/349629713.db2.gz LVMADYOZFTZIOU-FRRDWIJNSA-N 1 2 244.342 2.153 20 30 BEEDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602607509 349630241 /nfs/dbraw/zinc/63/02/41/349630241.db2.gz LVMADYOZFTZIOU-JHJVBQTASA-N 1 2 244.342 2.153 20 30 BEEDLO Cc1ccc(C[NH2+]C[C@H](C)C#N)c(F)c1 ZINC000602607854 349630970 /nfs/dbraw/zinc/63/09/70/349630970.db2.gz MXABMSQCPBECEC-SNVBAGLBSA-N 1 2 206.264 2.383 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1nc2ccccc2o1 ZINC000602608218 349631997 /nfs/dbraw/zinc/63/19/97/349631997.db2.gz RGKZWLHARBWDGP-SECBINFHSA-N 1 2 215.256 2.077 20 30 BEEDLO C=CCSCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134584476 342871119 /nfs/dbraw/zinc/87/11/19/342871119.db2.gz CYLNPTCVYFNBGK-VIFPVBQESA-N 1 2 225.361 2.288 20 30 BEEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(F)F ZINC000602675583 349669339 /nfs/dbraw/zinc/66/93/39/349669339.db2.gz MJJPLTTYDSSPRS-SNVBAGLBSA-N 1 2 246.301 2.330 20 30 BEEDLO C[C@H](CCC#N)C[NH2+][C@@H](C)C(F)(F)F ZINC000602661468 349681029 /nfs/dbraw/zinc/68/10/29/349681029.db2.gz FVRMXEKSBITESL-SFYZADRCSA-N 1 2 208.227 2.467 20 30 BEEDLO COc1cccc(OC)c1C[NH+]1CC(CC#N)C1 ZINC000602705535 349699326 /nfs/dbraw/zinc/69/93/26/349699326.db2.gz AWNZEWGUDLDVLP-UHFFFAOYSA-N 1 2 246.310 2.049 20 30 BEEDLO N#CCC1C[NH+](Cc2nc3ccccc3o2)C1 ZINC000602710760 349703049 /nfs/dbraw/zinc/70/30/49/349703049.db2.gz YPTDRGZKCVPRQJ-UHFFFAOYSA-N 1 2 227.267 2.173 20 30 BEEDLO Cn1ccnc1[C@H]([NH2+]CC1(C#N)CCC1)C1CC1 ZINC000602700839 349696397 /nfs/dbraw/zinc/69/63/97/349696397.db2.gz XPLJNGUBSBJMSJ-GFCCVEGCSA-N 1 2 244.342 2.155 20 30 BEEDLO C=C(C)C[C@H]([NH2+]C1CC(C)(C)C1)C(=O)OC ZINC000602735419 349720616 /nfs/dbraw/zinc/72/06/16/349720616.db2.gz WUOPWTKMYFYYCQ-NSHDSACASA-N 1 2 225.332 2.272 20 30 BEEDLO C[C@H]1OCC[C@@H]1C[N@H+](CCC#N)Cc1ccco1 ZINC000602780378 349746054 /nfs/dbraw/zinc/74/60/54/349746054.db2.gz HSMBYHLZZHRSJI-CHWSQXEVSA-N 1 2 248.326 2.420 20 30 BEEDLO C[C@H]1OCC[C@@H]1C[N@@H+](CCC#N)Cc1ccco1 ZINC000602780378 349746055 /nfs/dbraw/zinc/74/60/55/349746055.db2.gz HSMBYHLZZHRSJI-CHWSQXEVSA-N 1 2 248.326 2.420 20 30 BEEDLO Cc1ccc(C)c(NC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602862030 349773339 /nfs/dbraw/zinc/77/33/39/349773339.db2.gz KMPLQIQSLIPAPC-GFCCVEGCSA-N 1 2 245.326 2.134 20 30 BEEDLO COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)CC#N)o1 ZINC000602860340 349771675 /nfs/dbraw/zinc/77/16/75/349771675.db2.gz COIQCTFUHOYGCL-BDAKNGLRSA-N 1 2 236.271 2.019 20 30 BEEDLO Cc1[nH]nc2ncc(C[N@@H+](C)[C@H](C)CC#N)cc12 ZINC000353420622 136265379 /nfs/dbraw/zinc/26/53/79/136265379.db2.gz STHHERMJGIFFKM-SECBINFHSA-N 1 2 243.314 2.000 20 30 BEEDLO Cc1[nH]nc2ncc(C[N@H+](C)[C@H](C)CC#N)cc12 ZINC000353420622 136265380 /nfs/dbraw/zinc/26/53/80/136265380.db2.gz STHHERMJGIFFKM-SECBINFHSA-N 1 2 243.314 2.000 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1noc(CCC)n1 ZINC000055058652 343118623 /nfs/dbraw/zinc/11/86/23/343118623.db2.gz CHGMHCGTXSXMEE-UHFFFAOYSA-N 1 2 223.320 2.420 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1noc(CCC)n1 ZINC000055058652 343118626 /nfs/dbraw/zinc/11/86/26/343118626.db2.gz CHGMHCGTXSXMEE-UHFFFAOYSA-N 1 2 223.320 2.420 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccc(C(F)(F)F)cn1 ZINC000602869041 349799779 /nfs/dbraw/zinc/79/97/79/349799779.db2.gz FMZTVMSHIHAIGR-MRVPVSSYSA-N 1 2 243.232 2.492 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1C#N ZINC000135040088 343192372 /nfs/dbraw/zinc/19/23/72/343192372.db2.gz WRGVJQIYLZDCDT-ZDUSSCGKSA-N 1 2 213.284 2.340 20 30 BEEDLO COC[C@@H](C#N)Nc1ccc([NH+](C)C)cc1C ZINC000273316299 136284083 /nfs/dbraw/zinc/28/40/83/136284083.db2.gz DMOMGITYDLVSOO-LLVKDONJSA-N 1 2 233.315 2.012 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cn2ccsc2n1 ZINC000569739942 323039621 /nfs/dbraw/zinc/03/96/21/323039621.db2.gz SQCRZMKLIQPLMT-SECBINFHSA-N 1 2 234.328 2.178 20 30 BEEDLO C=CC[NH+](CC=C)[C@@H](C)c1nnc(C)o1 ZINC000297959432 136291323 /nfs/dbraw/zinc/29/13/23/136291323.db2.gz UJAKLHXSXAJEMK-VIFPVBQESA-N 1 2 207.277 2.113 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000274592512 136285302 /nfs/dbraw/zinc/28/53/02/136285302.db2.gz PPEHXTCWSGMZAL-SECBINFHSA-N 1 2 222.263 2.123 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000274592512 136285303 /nfs/dbraw/zinc/28/53/03/136285303.db2.gz PPEHXTCWSGMZAL-SECBINFHSA-N 1 2 222.263 2.123 20 30 BEEDLO CCC[N@@H+](CC#N)CCc1ccc(OC)cc1 ZINC000088244159 136285747 /nfs/dbraw/zinc/28/57/47/136285747.db2.gz JVFPCWAEVCENAO-UHFFFAOYSA-N 1 2 232.327 2.473 20 30 BEEDLO CCC[N@H+](CC#N)CCc1ccc(OC)cc1 ZINC000088244159 136285748 /nfs/dbraw/zinc/28/57/48/136285748.db2.gz JVFPCWAEVCENAO-UHFFFAOYSA-N 1 2 232.327 2.473 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1nc2c(s1)CCC2 ZINC000134975846 343343221 /nfs/dbraw/zinc/34/32/21/343343221.db2.gz AFWUGPYJIMGRMZ-UHFFFAOYSA-N 1 2 235.356 2.271 20 30 BEEDLO C=CCCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000102344594 136331908 /nfs/dbraw/zinc/33/19/08/136331908.db2.gz REZWOIFWMJMQOK-NSHDSACASA-N 1 2 233.315 2.430 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)[C@H](C)CN1C ZINC000335719818 136341002 /nfs/dbraw/zinc/34/10/02/136341002.db2.gz TZYQACKZTUSHLE-GHMZBOCLSA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@H](C)CN1C ZINC000335719818 136341003 /nfs/dbraw/zinc/34/10/03/136341003.db2.gz TZYQACKZTUSHLE-GHMZBOCLSA-N 1 2 249.383 2.144 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1csc(COC)n1 ZINC000351100522 136367300 /nfs/dbraw/zinc/36/73/00/136367300.db2.gz MHEVECOASQGMIX-UHFFFAOYSA-N 1 2 226.345 2.297 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1csc(COC)n1 ZINC000351100522 136367301 /nfs/dbraw/zinc/36/73/01/136367301.db2.gz MHEVECOASQGMIX-UHFFFAOYSA-N 1 2 226.345 2.297 20 30 BEEDLO CCOc1ccc(C[NH2+]CCC#N)cc1F ZINC000258984026 136374231 /nfs/dbraw/zinc/37/42/31/136374231.db2.gz WTIPWUOVYDVQBL-UHFFFAOYSA-N 1 2 222.263 2.228 20 30 BEEDLO CC[N@@H+](Cc1cc(C)ccn1)C[C@H](C)C#N ZINC000616750697 343557867 /nfs/dbraw/zinc/55/78/67/343557867.db2.gz GRMNXCPOXGPINF-GFCCVEGCSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1cc(C)ccn1)C[C@H](C)C#N ZINC000616750697 343557871 /nfs/dbraw/zinc/55/78/71/343557871.db2.gz GRMNXCPOXGPINF-GFCCVEGCSA-N 1 2 217.316 2.372 20 30 BEEDLO C[C@@]1(C(F)F)C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602899862 349815924 /nfs/dbraw/zinc/81/59/24/349815924.db2.gz BFYABNDSYNKGHB-NSHDSACASA-N 1 2 244.285 2.036 20 30 BEEDLO C[C@@]1(C(F)F)C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602899862 349815927 /nfs/dbraw/zinc/81/59/27/349815927.db2.gz BFYABNDSYNKGHB-NSHDSACASA-N 1 2 244.285 2.036 20 30 BEEDLO C=C[C@H]([NH2+][C@H](C)CCc1ccccc1)C(=O)OC ZINC000302445246 343587354 /nfs/dbraw/zinc/58/73/54/343587354.db2.gz UNWHPRWTALDADB-OCCSQVGLSA-N 1 2 247.338 2.325 20 30 BEEDLO COc1cncc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602981736 349831871 /nfs/dbraw/zinc/83/18/71/349831871.db2.gz IWFFMBOJCNNBGE-JSGCOSHPSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cncc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602981736 349831874 /nfs/dbraw/zinc/83/18/74/349831874.db2.gz IWFFMBOJCNNBGE-JSGCOSHPSA-N 1 2 245.326 2.214 20 30 BEEDLO Cc1nocc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982792 349835034 /nfs/dbraw/zinc/83/50/34/349835034.db2.gz YIXYTHJCGHTNKV-CMPLNLGQSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1nocc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982792 349835037 /nfs/dbraw/zinc/83/50/37/349835037.db2.gz YIXYTHJCGHTNKV-CMPLNLGQSA-N 1 2 219.288 2.107 20 30 BEEDLO COc1ncccc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980678 349846324 /nfs/dbraw/zinc/84/63/24/349846324.db2.gz TUVBDGQIAXJLIW-AAEUAGOBSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ncccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980678 349846326 /nfs/dbraw/zinc/84/63/26/349846326.db2.gz TUVBDGQIAXJLIW-AAEUAGOBSA-N 1 2 245.326 2.214 20 30 BEEDLO C=CC[C@H]1CC[N@@H+](Cc2noc(CCC)n2)C1 ZINC000625699674 344038901 /nfs/dbraw/zinc/03/89/01/344038901.db2.gz CJHVPZMOSACNKB-NSHDSACASA-N 1 2 235.331 2.420 20 30 BEEDLO C=CC[C@H]1CC[N@H+](Cc2noc(CCC)n2)C1 ZINC000625699674 344038902 /nfs/dbraw/zinc/03/89/02/344038902.db2.gz CJHVPZMOSACNKB-NSHDSACASA-N 1 2 235.331 2.420 20 30 BEEDLO C[C@H](CC#N)N(C)Cc1cccc2[nH+]ccn21 ZINC000180056766 347010222 /nfs/dbraw/zinc/01/02/22/347010222.db2.gz OLLVVBJQRRJLTQ-LLVKDONJSA-N 1 2 228.299 2.068 20 30 BEEDLO Cc1cc(N2CCC(CF)CC2)c(C#N)c[nH+]1 ZINC000335093159 343927528 /nfs/dbraw/zinc/92/75/28/343927528.db2.gz IBRREPCHIUKTFM-UHFFFAOYSA-N 1 2 233.290 2.448 20 30 BEEDLO C=CC[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000625704069 344048867 /nfs/dbraw/zinc/04/88/67/344048867.db2.gz RRONSPGLMHQDTO-JTQLQIEISA-N 1 2 233.315 2.345 20 30 BEEDLO C=CC[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000625704069 344048870 /nfs/dbraw/zinc/04/88/70/344048870.db2.gz RRONSPGLMHQDTO-JTQLQIEISA-N 1 2 233.315 2.345 20 30 BEEDLO C[C@H]1[N@H+](Cc2ccc(C#N)o2)CCOC1(C)C ZINC000335916474 344085709 /nfs/dbraw/zinc/08/57/09/344085709.db2.gz BUVDTRAXGUYAJM-SNVBAGLBSA-N 1 2 234.299 2.151 20 30 BEEDLO C[C@H]1[N@@H+](Cc2ccc(C#N)o2)CCOC1(C)C ZINC000335916474 344085710 /nfs/dbraw/zinc/08/57/10/344085710.db2.gz BUVDTRAXGUYAJM-SNVBAGLBSA-N 1 2 234.299 2.151 20 30 BEEDLO N#CC1(C[NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000590366490 347034334 /nfs/dbraw/zinc/03/43/34/347034334.db2.gz PXQBFMTYMODGMB-UHFFFAOYSA-N 1 2 236.702 2.439 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1c(F)cccc1F ZINC000166010344 344273053 /nfs/dbraw/zinc/27/30/53/344273053.db2.gz XZZVZDQHPNAMII-QMMMGPOBSA-N 1 2 210.227 2.357 20 30 BEEDLO CN(C)c1ccc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000590373299 347043915 /nfs/dbraw/zinc/04/39/15/347043915.db2.gz WWXMLIBRQVTPDI-UHFFFAOYSA-N 1 2 246.358 2.129 20 30 BEEDLO CN(C)c1ccc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000590373299 347043918 /nfs/dbraw/zinc/04/39/18/347043918.db2.gz WWXMLIBRQVTPDI-UHFFFAOYSA-N 1 2 246.358 2.129 20 30 BEEDLO CC[N@@H+](Cc1ccccn1)C[C@H](C)C#N ZINC000042449603 344454760 /nfs/dbraw/zinc/45/47/60/344454760.db2.gz VTXHDIJGSFVXOD-LLVKDONJSA-N 1 2 203.289 2.063 20 30 BEEDLO CC[N@H+](Cc1ccccn1)C[C@H](C)C#N ZINC000042449603 344454761 /nfs/dbraw/zinc/45/47/61/344454761.db2.gz VTXHDIJGSFVXOD-LLVKDONJSA-N 1 2 203.289 2.063 20 30 BEEDLO Cn1cc(C[N@H+](CCC#N)CC(C)(C)C)cn1 ZINC000111250239 344585916 /nfs/dbraw/zinc/58/59/16/344585916.db2.gz VALREJPLZZJJPH-UHFFFAOYSA-N 1 2 234.347 2.182 20 30 BEEDLO Cn1cc(C[N@@H+](CCC#N)CC(C)(C)C)cn1 ZINC000111250239 344585919 /nfs/dbraw/zinc/58/59/19/344585919.db2.gz VALREJPLZZJJPH-UHFFFAOYSA-N 1 2 234.347 2.182 20 30 BEEDLO Cc1cc(N)nc(SCCC(C)(C)C#N)[nH+]1 ZINC000115895962 344720063 /nfs/dbraw/zinc/72/00/63/344720063.db2.gz OVRFPBXTLUHCJV-UHFFFAOYSA-N 1 2 236.344 2.399 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1cc[nH+]cc1F ZINC000641548515 362496020 /nfs/dbraw/zinc/49/60/20/362496020.db2.gz LUEHGTBBCWSTBB-GWCFXTLKSA-N 1 2 236.290 2.036 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641548517 362496074 /nfs/dbraw/zinc/49/60/74/362496074.db2.gz LUEHGTBBCWSTBB-MFKMUULPSA-N 1 2 236.290 2.036 20 30 BEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000121562453 344929313 /nfs/dbraw/zinc/92/93/13/344929313.db2.gz MJNNAZTUJSTRSB-UHFFFAOYSA-N 1 2 240.253 2.021 20 30 BEEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(F)cc1F ZINC000121562453 344929315 /nfs/dbraw/zinc/92/93/15/344929315.db2.gz MJNNAZTUJSTRSB-UHFFFAOYSA-N 1 2 240.253 2.021 20 30 BEEDLO C=C(Br)C[N@H+]1CCOCC[C@@H]1C ZINC000306331182 345171758 /nfs/dbraw/zinc/17/17/58/345171758.db2.gz PUDIPFBAQBLNQM-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@@H+]1CCOCC[C@@H]1C ZINC000306331182 345171760 /nfs/dbraw/zinc/17/17/60/345171760.db2.gz PUDIPFBAQBLNQM-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO CO[C@H](CNc1cc(C)[nH+]cc1C#N)CC(C)C ZINC000425267264 192086593 /nfs/dbraw/zinc/08/65/93/192086593.db2.gz LGJSHMHWDUIVAH-ZDUSSCGKSA-N 1 2 247.342 2.157 20 30 BEEDLO CC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)CCO1 ZINC000425278101 192086608 /nfs/dbraw/zinc/08/66/08/192086608.db2.gz GIPLIBWDICALBQ-OLZOCXBDSA-N 1 2 245.326 2.053 20 30 BEEDLO CC(C)(CCC#N)C[NH+]1CC(C)(C#N)C1 ZINC000332079438 534996267 /nfs/dbraw/zinc/99/62/67/534996267.db2.gz YSEUSDSHOHSSLJ-UHFFFAOYSA-N 1 2 205.305 2.162 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159674134 345463892 /nfs/dbraw/zinc/46/38/92/345463892.db2.gz MJOPJWYEDXRSQB-MRXNPFEDSA-N 1 2 241.334 2.184 20 30 BEEDLO CC#CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159674134 345463894 /nfs/dbraw/zinc/46/38/94/345463894.db2.gz MJOPJWYEDXRSQB-MRXNPFEDSA-N 1 2 241.334 2.184 20 30 BEEDLO Cc1nc(NCc2cccc(C#N)c2)cc[nH+]1 ZINC000054935931 345772333 /nfs/dbraw/zinc/77/23/33/345772333.db2.gz ZPDRWOPSFPWTLB-UHFFFAOYSA-N 1 2 224.267 2.269 20 30 BEEDLO N#CCCCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000292296502 133574722 /nfs/dbraw/zinc/57/47/22/133574722.db2.gz KXJWTNNVKKZWJO-LLVKDONJSA-N 1 2 246.314 2.157 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000183830657 345939325 /nfs/dbraw/zinc/93/93/25/345939325.db2.gz VBERVWIQPZTNER-SECBINFHSA-N 1 2 248.717 2.237 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000609449210 346076118 /nfs/dbraw/zinc/07/61/18/346076118.db2.gz GTOOJLFFVAUYIE-VIFPVBQESA-N 1 2 248.717 2.379 20 30 BEEDLO N#CC[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000603405730 349954617 /nfs/dbraw/zinc/95/46/17/349954617.db2.gz PENUKRDWZHORFR-SNVBAGLBSA-N 1 2 219.263 2.351 20 30 BEEDLO C#C[C@H](Nc1cc[nH+]c(C2CC2)n1)C(C)C ZINC000281912089 346372937 /nfs/dbraw/zinc/37/29/37/346372937.db2.gz PXAQEVMPSDWCJC-NSHDSACASA-N 1 2 215.300 2.424 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000282040129 346376781 /nfs/dbraw/zinc/37/67/81/346376781.db2.gz FXFOBUBIOAVCJI-VIFPVBQESA-N 1 2 213.712 2.132 20 30 BEEDLO CCC[N@H+](CC#N)C[C@H](CC(C)C)OC ZINC000419209575 192103849 /nfs/dbraw/zinc/10/38/49/192103849.db2.gz SXTQTEOHNIROTP-LBPRGKRZSA-N 1 2 212.337 2.283 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@H](CC(C)C)OC ZINC000419209575 192103851 /nfs/dbraw/zinc/10/38/51/192103851.db2.gz SXTQTEOHNIROTP-LBPRGKRZSA-N 1 2 212.337 2.283 20 30 BEEDLO COc1cccc(/C=[NH+]/[C@H]2CCCOCC2)c1O ZINC000182699046 347102737 /nfs/dbraw/zinc/10/27/37/347102737.db2.gz VCYKEZAVZXRNFC-XBUHWIKASA-N 1 2 249.310 2.389 20 30 BEEDLO N#CC1(C[NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000309611323 347123359 /nfs/dbraw/zinc/12/33/59/347123359.db2.gz ZNDWOCCAIJKDBC-UHFFFAOYSA-N 1 2 233.340 2.414 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000186214484 347228058 /nfs/dbraw/zinc/22/80/58/347228058.db2.gz SGZFYEGMFRINQA-VIFPVBQESA-N 1 2 222.263 2.265 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000186214484 347228061 /nfs/dbraw/zinc/22/80/61/347228061.db2.gz SGZFYEGMFRINQA-VIFPVBQESA-N 1 2 222.263 2.265 20 30 BEEDLO C=C(CC)C[NH2+]C(C)(C)c1noc(C)n1 ZINC000336762955 347305279 /nfs/dbraw/zinc/30/52/79/347305279.db2.gz OMZHTPSNWDTDLZ-UHFFFAOYSA-N 1 2 209.293 2.169 20 30 BEEDLO C=Cn1cc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000193880925 347407570 /nfs/dbraw/zinc/40/75/70/347407570.db2.gz BDFORXQYSNOQAB-UHFFFAOYSA-N 1 2 230.315 2.109 20 30 BEEDLO C=Cn1cc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000193880925 347407572 /nfs/dbraw/zinc/40/75/72/347407572.db2.gz BDFORXQYSNOQAB-UHFFFAOYSA-N 1 2 230.315 2.109 20 30 BEEDLO C#CCCCC(=O)Nc1ccc(C)[nH+]c1C ZINC000192150516 347367801 /nfs/dbraw/zinc/36/78/01/347367801.db2.gz CTVVVBHALDBXIE-UHFFFAOYSA-N 1 2 216.284 2.440 20 30 BEEDLO N#CCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000193005397 347388714 /nfs/dbraw/zinc/38/87/14/347388714.db2.gz OZWGDZREUAZZCV-UHFFFAOYSA-N 1 2 240.188 2.364 20 30 BEEDLO N#CCC[C@@H](C#N)C[NH+]1CC2(C1)CCCC2 ZINC000364489927 347456130 /nfs/dbraw/zinc/45/61/30/347456130.db2.gz YZFOHNVKKIVYTF-LBPRGKRZSA-N 1 2 217.316 2.306 20 30 BEEDLO N#CCC[C@H](C#N)C[NH+]1CC2(C1)CCCC2 ZINC000364489926 347456443 /nfs/dbraw/zinc/45/64/43/347456443.db2.gz YZFOHNVKKIVYTF-GFCCVEGCSA-N 1 2 217.316 2.306 20 30 BEEDLO C=CCC[N@H+]1CCOC[C@@H]1c1nc(C)cs1 ZINC000189244035 166263367 /nfs/dbraw/zinc/26/33/67/166263367.db2.gz QJPPGXIADAFZJL-LLVKDONJSA-N 1 2 238.356 2.401 20 30 BEEDLO C=CCC[N@@H+]1CCOC[C@@H]1c1nc(C)cs1 ZINC000189244035 166263368 /nfs/dbraw/zinc/26/33/68/166263368.db2.gz QJPPGXIADAFZJL-LLVKDONJSA-N 1 2 238.356 2.401 20 30 BEEDLO Cc1cc(C)c(CNC(=O)CC2(C#N)CC2)c[nH+]1 ZINC000590885702 347579623 /nfs/dbraw/zinc/57/96/23/347579623.db2.gz FOFIHWUQKMLWPO-UHFFFAOYSA-N 1 2 243.310 2.009 20 30 BEEDLO N#Cc1csc(C[NH+]2CC(C(F)F)C2)c1 ZINC000590968697 347596884 /nfs/dbraw/zinc/59/68/84/347596884.db2.gz BNNOVXIJDBXSBW-UHFFFAOYSA-N 1 2 228.267 2.317 20 30 BEEDLO N#CC1(C[NH2+]Cc2nc3c(s2)CCC3)CCC1 ZINC000591357627 347644747 /nfs/dbraw/zinc/64/47/47/347644747.db2.gz MVAYDBIRKPWHRH-UHFFFAOYSA-N 1 2 247.367 2.415 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1CC)C(=O)OC ZINC000591375011 347649626 /nfs/dbraw/zinc/64/96/26/347649626.db2.gz QNNCATAGFZDPDT-SRVKXCTJSA-N 1 2 225.332 2.130 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(=O)OC ZINC000591373545 347649653 /nfs/dbraw/zinc/64/96/53/347649653.db2.gz WRHZWZHHTOXWKV-MELADBBJSA-N 1 2 245.322 2.107 20 30 BEEDLO N#CCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000591734193 347694200 /nfs/dbraw/zinc/69/42/00/347694200.db2.gz DXHWJBWPCBMYNG-KBPBESRZSA-N 1 2 230.311 2.410 20 30 BEEDLO CO[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000591823812 347701142 /nfs/dbraw/zinc/70/11/42/347701142.db2.gz XIVRKDGELOSIER-CYBMUJFWSA-N 1 2 245.326 2.267 20 30 BEEDLO Cc1cc(N2CC[C@@H](C)[C@@H](F)C2)c(C#N)c[nH+]1 ZINC000591822628 347701414 /nfs/dbraw/zinc/70/14/14/347701414.db2.gz NDUZEAQDQJIULA-SKDRFNHKSA-N 1 2 233.290 2.446 20 30 BEEDLO Cc1cc(N2CC[C@H](C)[C@@H](F)C2)c(C#N)c[nH+]1 ZINC000591822625 347701429 /nfs/dbraw/zinc/70/14/29/347701429.db2.gz NDUZEAQDQJIULA-CABZTGNLSA-N 1 2 233.290 2.446 20 30 BEEDLO C[N@H+](CCOC(C)(C)C)Cc1ccncc1C#N ZINC000592073920 347728897 /nfs/dbraw/zinc/72/88/97/347728897.db2.gz BETZBEVYPGFLDF-UHFFFAOYSA-N 1 2 247.342 2.200 20 30 BEEDLO C[N@@H+](CCOC(C)(C)C)Cc1ccncc1C#N ZINC000592073920 347728899 /nfs/dbraw/zinc/72/88/99/347728899.db2.gz BETZBEVYPGFLDF-UHFFFAOYSA-N 1 2 247.342 2.200 20 30 BEEDLO C[C@H]1C[N@H+](CC2(C#N)CC2)CC2(CCCC2)O1 ZINC000592192213 347748818 /nfs/dbraw/zinc/74/88/18/347748818.db2.gz GWTROBFAYGNUOR-LBPRGKRZSA-N 1 2 234.343 2.324 20 30 BEEDLO C[C@H]1C[N@@H+](CC2(C#N)CC2)CC2(CCCC2)O1 ZINC000592192213 347748819 /nfs/dbraw/zinc/74/88/19/347748819.db2.gz GWTROBFAYGNUOR-LBPRGKRZSA-N 1 2 234.343 2.324 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000593030457 347842044 /nfs/dbraw/zinc/84/20/44/347842044.db2.gz OBZOMCLINLVBHK-LLVKDONJSA-N 1 2 249.245 2.010 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000593030457 347842047 /nfs/dbraw/zinc/84/20/47/347842047.db2.gz OBZOMCLINLVBHK-LLVKDONJSA-N 1 2 249.245 2.010 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593119610 347862471 /nfs/dbraw/zinc/86/24/71/347862471.db2.gz CIJDJIVYEIDRFB-AWEZNQCLSA-N 1 2 242.322 2.201 20 30 BEEDLO C=CCC[C@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593119610 347862474 /nfs/dbraw/zinc/86/24/74/347862474.db2.gz CIJDJIVYEIDRFB-AWEZNQCLSA-N 1 2 242.322 2.201 20 30 BEEDLO C=CC1CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC000336505669 490109745 /nfs/dbraw/zinc/10/97/45/490109745.db2.gz ZXZCASPCHQMUGW-SECBINFHSA-N 1 2 221.304 2.337 20 30 BEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C[C@@H]1F ZINC000593970926 347974930 /nfs/dbraw/zinc/97/49/30/347974930.db2.gz RFAOESAOYICRIH-GWCFXTLKSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C[C@@H]1F ZINC000593970926 347974935 /nfs/dbraw/zinc/97/49/35/347974935.db2.gz RFAOESAOYICRIH-GWCFXTLKSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@@H]1C[C@@H](NC(=O)CCCCC#N)c2[nH+]ccn21 ZINC000594040838 347994833 /nfs/dbraw/zinc/99/48/33/347994833.db2.gz IRNNHMAVTSYTSA-GHMZBOCLSA-N 1 2 246.314 2.089 20 30 BEEDLO C[C@H]1C[C@@H](NC(=O)CCCCC#N)c2[nH+]ccn21 ZINC000594040842 347994913 /nfs/dbraw/zinc/99/49/13/347994913.db2.gz IRNNHMAVTSYTSA-WDEREUQCSA-N 1 2 246.314 2.089 20 30 BEEDLO Cc1cc(CNC(=O)CCCCC#N)cc(C)[nH+]1 ZINC000594052280 348009015 /nfs/dbraw/zinc/00/90/15/348009015.db2.gz UUGOZUIYFOOKJW-UHFFFAOYSA-N 1 2 245.326 2.399 20 30 BEEDLO Cc1ccc(CC2C[NH+](CCC#N)C2)cc1 ZINC000594732030 348108966 /nfs/dbraw/zinc/10/89/66/348108966.db2.gz JSUHIHKGKNYTDR-UHFFFAOYSA-N 1 2 214.312 2.383 20 30 BEEDLO CC1(C)CCCC[C@H]1C[N@@H+]1CCO[C@H](C#N)C1 ZINC000595318449 348225883 /nfs/dbraw/zinc/22/58/83/348225883.db2.gz SEERJIRVVBBZCH-QWHCGFSZSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCCC[C@H]1C[N@H+]1CCO[C@H](C#N)C1 ZINC000595318449 348225885 /nfs/dbraw/zinc/22/58/85/348225885.db2.gz SEERJIRVVBBZCH-QWHCGFSZSA-N 1 2 236.359 2.427 20 30 BEEDLO CCc1nnc([C@H](C)[NH+]2CCC(C)(C#N)CC2)[nH]1 ZINC000595433005 348249127 /nfs/dbraw/zinc/24/91/27/348249127.db2.gz XZPQFZRXCQTRSD-JTQLQIEISA-N 1 2 247.346 2.054 20 30 BEEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC000595623636 348292385 /nfs/dbraw/zinc/29/23/85/348292385.db2.gz WCKHQEXLQULNMD-LLVKDONJSA-N 1 2 247.346 2.054 20 30 BEEDLO CC(C)c1nnc(C[N@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC000595623636 348292389 /nfs/dbraw/zinc/29/23/89/348292389.db2.gz WCKHQEXLQULNMD-LLVKDONJSA-N 1 2 247.346 2.054 20 30 BEEDLO CC[C@H](CC(F)F)C[N@@H+](CC#N)CCOC ZINC000595523462 348270639 /nfs/dbraw/zinc/27/06/39/348270639.db2.gz JORWOWDPNCHMEM-SNVBAGLBSA-N 1 2 234.290 2.140 20 30 BEEDLO CC[C@H](CC(F)F)C[N@H+](CC#N)CCOC ZINC000595523462 348270641 /nfs/dbraw/zinc/27/06/41/348270641.db2.gz JORWOWDPNCHMEM-SNVBAGLBSA-N 1 2 234.290 2.140 20 30 BEEDLO Cc1cc(C[N@H+](C)Cc2cnc[nH]2)ccc1C#N ZINC000595592855 348278437 /nfs/dbraw/zinc/27/84/37/348278437.db2.gz RQTPLXFIDWQHBQ-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(C[N@@H+](C)Cc2cnc[nH]2)ccc1C#N ZINC000595592855 348278438 /nfs/dbraw/zinc/27/84/38/348278438.db2.gz RQTPLXFIDWQHBQ-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(C[N@H+](C)Cc2c[nH]cn2)ccc1C#N ZINC000595592855 348278442 /nfs/dbraw/zinc/27/84/42/348278442.db2.gz RQTPLXFIDWQHBQ-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(C[N@@H+](C)Cc2c[nH]cn2)ccc1C#N ZINC000595592855 348278443 /nfs/dbraw/zinc/27/84/43/348278443.db2.gz RQTPLXFIDWQHBQ-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000595662292 348300481 /nfs/dbraw/zinc/30/04/81/348300481.db2.gz HKJYOFYMYUTBIR-SNVBAGLBSA-N 1 2 246.301 2.018 20 30 BEEDLO CC(C)(C#N)CCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000595662292 348300482 /nfs/dbraw/zinc/30/04/82/348300482.db2.gz HKJYOFYMYUTBIR-SNVBAGLBSA-N 1 2 246.301 2.018 20 30 BEEDLO COCCSCCC[N@H+]([C@H](C)C#N)C1CC1 ZINC000595709092 348320429 /nfs/dbraw/zinc/32/04/29/348320429.db2.gz CUXFUSBNLLMCCM-LLVKDONJSA-N 1 2 242.388 2.133 20 30 BEEDLO COCCSCCC[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595709092 348320432 /nfs/dbraw/zinc/32/04/32/348320432.db2.gz CUXFUSBNLLMCCM-LLVKDONJSA-N 1 2 242.388 2.133 20 30 BEEDLO C[C@H](C#N)[N@H+](CCC[C@H]1CCOC1)C1CC1 ZINC000595709288 348320744 /nfs/dbraw/zinc/32/07/44/348320744.db2.gz DSVDDWAUTSAURV-NEPJUHHUSA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@H](C#N)[N@@H+](CCC[C@H]1CCOC1)C1CC1 ZINC000595709288 348320748 /nfs/dbraw/zinc/32/07/48/348320748.db2.gz DSVDDWAUTSAURV-NEPJUHHUSA-N 1 2 222.332 2.180 20 30 BEEDLO CCOC1CC(C[N@H+]([C@@H](C)C#N)C2CC2)C1 ZINC000595710580 348322694 /nfs/dbraw/zinc/32/26/94/348322694.db2.gz UBDSBTMIEFTJFV-ZBOXLXRLSA-N 1 2 222.332 2.178 20 30 BEEDLO CCOC1CC(C[N@@H+]([C@@H](C)C#N)C2CC2)C1 ZINC000595710580 348322697 /nfs/dbraw/zinc/32/26/97/348322697.db2.gz UBDSBTMIEFTJFV-ZBOXLXRLSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@@H](C#N)N(Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000595714638 348325760 /nfs/dbraw/zinc/32/57/60/348325760.db2.gz XMEQTZBYSRABJB-NSHDSACASA-N 1 2 240.310 2.211 20 30 BEEDLO COCCCCC[N@H+]([C@@H](C)C#N)C1CC1 ZINC000595721501 348327496 /nfs/dbraw/zinc/32/74/96/348327496.db2.gz SBCAACPRNBPGEO-NSHDSACASA-N 1 2 210.321 2.180 20 30 BEEDLO COCCCCC[N@@H+]([C@@H](C)C#N)C1CC1 ZINC000595721501 348327498 /nfs/dbraw/zinc/32/74/98/348327498.db2.gz SBCAACPRNBPGEO-NSHDSACASA-N 1 2 210.321 2.180 20 30 BEEDLO CC(C)n1cc[nH+]c1CN1CC[C@@](C)(C#N)C1 ZINC000595837550 348370919 /nfs/dbraw/zinc/37/09/19/348370919.db2.gz IXYXCJWQSNEEPP-ZDUSSCGKSA-N 1 2 232.331 2.200 20 30 BEEDLO Cc1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000595839346 348372528 /nfs/dbraw/zinc/37/25/28/348372528.db2.gz ILAKFAOIYOKXDS-NSHDSACASA-N 1 2 221.329 2.187 20 30 BEEDLO Cc1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000595839346 348372531 /nfs/dbraw/zinc/37/25/31/348372531.db2.gz ILAKFAOIYOKXDS-NSHDSACASA-N 1 2 221.329 2.187 20 30 BEEDLO Cc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)n1 ZINC000595842719 348379177 /nfs/dbraw/zinc/37/91/77/348379177.db2.gz ZCZQUTWSQGTKIW-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)n1 ZINC000595842719 348379178 /nfs/dbraw/zinc/37/91/78/348379178.db2.gz ZCZQUTWSQGTKIW-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO CC(C)n1nccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842681 348379208 /nfs/dbraw/zinc/37/92/08/348379208.db2.gz GRWUFEXQZHDGPU-ZDUSSCGKSA-N 1 2 232.331 2.200 20 30 BEEDLO CC(C)n1nccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842681 348379209 /nfs/dbraw/zinc/37/92/09/348379209.db2.gz GRWUFEXQZHDGPU-ZDUSSCGKSA-N 1 2 232.331 2.200 20 30 BEEDLO Cc1ncccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595843072 348380281 /nfs/dbraw/zinc/38/02/81/348380281.db2.gz YCZFQCGYITWSDI-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ncccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595843072 348380285 /nfs/dbraw/zinc/38/02/85/348380285.db2.gz YCZFQCGYITWSDI-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ccncc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844011 348380900 /nfs/dbraw/zinc/38/09/00/348380900.db2.gz OLIKEWAPLATJQF-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ccncc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595844011 348380904 /nfs/dbraw/zinc/38/09/04/348380904.db2.gz OLIKEWAPLATJQF-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO CC[N@H+](CCCC1(C#N)CCOCC1)[C@H](C)C#N ZINC000595819822 348360291 /nfs/dbraw/zinc/36/02/91/348360291.db2.gz FOPVTRLDJXPLFR-CYBMUJFWSA-N 1 2 249.358 2.321 20 30 BEEDLO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@H](C)C#N ZINC000595819822 348360294 /nfs/dbraw/zinc/36/02/94/348360294.db2.gz FOPVTRLDJXPLFR-CYBMUJFWSA-N 1 2 249.358 2.321 20 30 BEEDLO CC[N@H+](C[C@H](O)CCC(C)C)[C@H](C)C#N ZINC000595820094 348360751 /nfs/dbraw/zinc/36/07/51/348360751.db2.gz JEQKGKKDMKRMFC-VXGBXAGGSA-N 1 2 212.337 2.017 20 30 BEEDLO CC[N@@H+](C[C@H](O)CCC(C)C)[C@H](C)C#N ZINC000595820094 348360757 /nfs/dbraw/zinc/36/07/57/348360757.db2.gz JEQKGKKDMKRMFC-VXGBXAGGSA-N 1 2 212.337 2.017 20 30 BEEDLO CC[N@H+](CC[C@@H]1CCCCO1)[C@@H](C)C#N ZINC000595819930 348361050 /nfs/dbraw/zinc/36/10/50/348361050.db2.gz GVTRJWJDUPQDJM-RYUDHWBXSA-N 1 2 210.321 2.180 20 30 BEEDLO CC[N@@H+](CC[C@@H]1CCCCO1)[C@@H](C)C#N ZINC000595819930 348361053 /nfs/dbraw/zinc/36/10/53/348361053.db2.gz GVTRJWJDUPQDJM-RYUDHWBXSA-N 1 2 210.321 2.180 20 30 BEEDLO CC[N@H+](C[C@@H](O)CCC(C)C)[C@H](C)C#N ZINC000595820091 348361075 /nfs/dbraw/zinc/36/10/75/348361075.db2.gz JEQKGKKDMKRMFC-NEPJUHHUSA-N 1 2 212.337 2.017 20 30 BEEDLO CC[N@@H+](C[C@@H](O)CCC(C)C)[C@H](C)C#N ZINC000595820091 348361079 /nfs/dbraw/zinc/36/10/79/348361079.db2.gz JEQKGKKDMKRMFC-NEPJUHHUSA-N 1 2 212.337 2.017 20 30 BEEDLO CCc1cc(CCC[N@@H+](CC)[C@H](C)C#N)on1 ZINC000595820002 348361238 /nfs/dbraw/zinc/36/12/38/348361238.db2.gz HPMRLAIRPNIMSJ-LLVKDONJSA-N 1 2 235.331 2.404 20 30 BEEDLO CCc1cc(CCC[N@H+](CC)[C@H](C)C#N)on1 ZINC000595820002 348361243 /nfs/dbraw/zinc/36/12/43/348361243.db2.gz HPMRLAIRPNIMSJ-LLVKDONJSA-N 1 2 235.331 2.404 20 30 BEEDLO CC[N@H+](C[C@H](OC)C1CCC1)[C@H](C)C#N ZINC000595820972 348362408 /nfs/dbraw/zinc/36/24/08/348362408.db2.gz ZEXLBVNUEZPANW-PWSUYJOCSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@@H+](C[C@H](OC)C1CCC1)[C@H](C)C#N ZINC000595820972 348362412 /nfs/dbraw/zinc/36/24/12/348362412.db2.gz ZEXLBVNUEZPANW-PWSUYJOCSA-N 1 2 210.321 2.035 20 30 BEEDLO C=CCC(CC=C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000268131221 187398922 /nfs/dbraw/zinc/39/89/22/187398922.db2.gz AKTLFVKOPMVSNQ-UHFFFAOYSA-N 1 2 247.342 2.147 20 30 BEEDLO Cc1ccc(Cc2noc([C@@H](C)CC#N)n2)c[nH+]1 ZINC000596585626 348592852 /nfs/dbraw/zinc/59/28/52/348592852.db2.gz OWDGMTLXVPKKFS-VIFPVBQESA-N 1 2 242.282 2.381 20 30 BEEDLO Cc1cc(N2CC[C@@H]3C[C@@H]3C2)c(C#N)c[nH+]1 ZINC000596508088 348571358 /nfs/dbraw/zinc/57/13/58/348571358.db2.gz ACDLBMKAJMSBRY-GHMZBOCLSA-N 1 2 213.284 2.108 20 30 BEEDLO CCSC1(CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000596511393 348573066 /nfs/dbraw/zinc/57/30/66/348573066.db2.gz ONJKXYPWNWXXKZ-UHFFFAOYSA-N 1 2 247.367 2.381 20 30 BEEDLO COc1cc(C[NH+]2CC(CC#N)C2)cc(OC)c1 ZINC000597190798 348670558 /nfs/dbraw/zinc/67/05/58/348670558.db2.gz BPDHJQZMFVLNLS-UHFFFAOYSA-N 1 2 246.310 2.049 20 30 BEEDLO N#CCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC000597190920 348670765 /nfs/dbraw/zinc/67/07/65/348670765.db2.gz CFTFWVSCWKDARU-UHFFFAOYSA-N 1 2 222.238 2.310 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000597087200 348656908 /nfs/dbraw/zinc/65/69/08/348656908.db2.gz QYFOXQUVHNLCNW-LBPRGKRZSA-N 1 2 246.358 2.469 20 30 BEEDLO N#CCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000597193083 348671457 /nfs/dbraw/zinc/67/14/57/348671457.db2.gz CYIKWASWEJHMNP-UHFFFAOYSA-N 1 2 229.258 2.043 20 30 BEEDLO CCCn1nccc1C[N@H+](C)CC(C)(C)C#N ZINC000597136056 348661282 /nfs/dbraw/zinc/66/12/82/348661282.db2.gz QOBJSPBYOZAJMI-UHFFFAOYSA-N 1 2 234.347 2.275 20 30 BEEDLO CCCn1nccc1C[N@@H+](C)CC(C)(C)C#N ZINC000597136056 348661284 /nfs/dbraw/zinc/66/12/84/348661284.db2.gz QOBJSPBYOZAJMI-UHFFFAOYSA-N 1 2 234.347 2.275 20 30 BEEDLO CCOc1cc(C[NH+]2CC(CC#N)C2)ccc1O ZINC000597204220 348677741 /nfs/dbraw/zinc/67/77/41/348677741.db2.gz UOCROKOQDKNTJU-UHFFFAOYSA-N 1 2 246.310 2.136 20 30 BEEDLO C[C@]1(C2CC2)C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000597180507 348681413 /nfs/dbraw/zinc/68/14/13/348681413.db2.gz PZBKOXQPBLSJCY-CQSZACIVSA-N 1 2 246.310 2.152 20 30 BEEDLO C[C@]1(C2CC2)C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000597180507 348681417 /nfs/dbraw/zinc/68/14/17/348681417.db2.gz PZBKOXQPBLSJCY-CQSZACIVSA-N 1 2 246.310 2.152 20 30 BEEDLO Cc1occc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230019 348697863 /nfs/dbraw/zinc/69/78/63/348697863.db2.gz DSLRXXCHNCOWFV-LBPRGKRZSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1occc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597230019 348697865 /nfs/dbraw/zinc/69/78/65/348697865.db2.gz DSLRXXCHNCOWFV-LBPRGKRZSA-N 1 2 204.273 2.324 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000597230418 348698622 /nfs/dbraw/zinc/69/86/22/348698622.db2.gz RWVWJRBTTSOBKK-CQSZACIVSA-N 1 2 244.294 2.151 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000597230418 348698623 /nfs/dbraw/zinc/69/86/23/348698623.db2.gz RWVWJRBTTSOBKK-CQSZACIVSA-N 1 2 244.294 2.151 20 30 BEEDLO COc1ccsc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597231634 348699520 /nfs/dbraw/zinc/69/95/20/348699520.db2.gz ZQPBVVLCCZDWSQ-GFCCVEGCSA-N 1 2 236.340 2.492 20 30 BEEDLO COc1ccsc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597231634 348699524 /nfs/dbraw/zinc/69/95/24/348699524.db2.gz ZQPBVVLCCZDWSQ-GFCCVEGCSA-N 1 2 236.340 2.492 20 30 BEEDLO Cc1cnccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597232980 348700548 /nfs/dbraw/zinc/70/05/48/348700548.db2.gz ZETZPQHLGZLEFA-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cnccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232980 348700553 /nfs/dbraw/zinc/70/05/53/348700553.db2.gz ZETZPQHLGZLEFA-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1scnc1C1CC1 ZINC000308835873 348771319 /nfs/dbraw/zinc/77/13/19/348771319.db2.gz ICQHEOBGSZLOFR-QMMMGPOBSA-N 1 2 221.329 2.270 20 30 BEEDLO Cc1cn2ccc(NC(=O)C(C)(C)C#N)cc2[nH+]1 ZINC000598468908 348979648 /nfs/dbraw/zinc/97/96/48/348979648.db2.gz NKPDNQZYXFFBPZ-UHFFFAOYSA-N 1 2 242.282 2.131 20 30 BEEDLO CCC[N@H+](CC(F)F)C[C@@H](O)CC(C)(C)C#N ZINC000598589598 348996830 /nfs/dbraw/zinc/99/68/30/348996830.db2.gz JXMHTIFAWUXBSS-JTQLQIEISA-N 1 2 248.317 2.264 20 30 BEEDLO CCC[N@@H+](CC(F)F)C[C@@H](O)CC(C)(C)C#N ZINC000598589598 348996834 /nfs/dbraw/zinc/99/68/34/348996834.db2.gz JXMHTIFAWUXBSS-JTQLQIEISA-N 1 2 248.317 2.264 20 30 BEEDLO N#Cc1csc(C[NH+]2CC(CC3CC3)C2)n1 ZINC000598678461 349021230 /nfs/dbraw/zinc/02/12/30/349021230.db2.gz PJUZQAIZJNVSQR-UHFFFAOYSA-N 1 2 233.340 2.247 20 30 BEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@](C)(C#N)CC ZINC000598739039 349035953 /nfs/dbraw/zinc/03/59/53/349035953.db2.gz UTFCVPOPTZQEHF-ZWNOBZJWSA-N 1 2 248.330 2.020 20 30 BEEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@](C)(C#N)CC ZINC000598739036 349036289 /nfs/dbraw/zinc/03/62/89/349036289.db2.gz UTFCVPOPTZQEHF-GWCFXTLKSA-N 1 2 248.330 2.020 20 30 BEEDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCCC#N ZINC000598950765 349071706 /nfs/dbraw/zinc/07/17/06/349071706.db2.gz URJOTISLGNTHMO-NSHDSACASA-N 1 2 243.310 2.133 20 30 BEEDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCCC#N ZINC000598950765 349071709 /nfs/dbraw/zinc/07/17/09/349071709.db2.gz URJOTISLGNTHMO-NSHDSACASA-N 1 2 243.310 2.133 20 30 BEEDLO COc1ccc[nH+]c1NCCCCC#N ZINC000599039584 349081296 /nfs/dbraw/zinc/08/12/96/349081296.db2.gz AZYDQYYFOTVOBJ-UHFFFAOYSA-N 1 2 205.261 2.196 20 30 BEEDLO CCC(F)(F)CNc1cc(C)[nH+]cc1C#N ZINC000599148669 349105260 /nfs/dbraw/zinc/10/52/60/349105260.db2.gz KLPIQYCEFGDAFI-UHFFFAOYSA-N 1 2 225.242 2.141 20 30 BEEDLO CC1(C)CC(C[N@@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000599385503 349161101 /nfs/dbraw/zinc/16/11/01/349161101.db2.gz QIGWLVSCFYIGQT-GFCCVEGCSA-N 1 2 210.296 2.360 20 30 BEEDLO CC1(C)CC(C[N@H+]2CC[C@@](F)(C#N)C2)C1 ZINC000599385503 349161103 /nfs/dbraw/zinc/16/11/03/349161103.db2.gz QIGWLVSCFYIGQT-GFCCVEGCSA-N 1 2 210.296 2.360 20 30 BEEDLO CCO[C@@H](C[N@H+](CC)[C@@H](C)C#N)C1CC1 ZINC000599475330 349196074 /nfs/dbraw/zinc/19/60/74/349196074.db2.gz MJQBJBUVWDGRHZ-JQWIXIFHSA-N 1 2 210.321 2.035 20 30 BEEDLO CCO[C@@H](C[N@@H+](CC)[C@@H](C)C#N)C1CC1 ZINC000599475330 349196075 /nfs/dbraw/zinc/19/60/75/349196075.db2.gz MJQBJBUVWDGRHZ-JQWIXIFHSA-N 1 2 210.321 2.035 20 30 BEEDLO COCC(C)(C)CNc1cc(CC#N)cc[nH+]1 ZINC000617185661 350305788 /nfs/dbraw/zinc/30/57/88/350305788.db2.gz XXRNJTPBLITSHC-UHFFFAOYSA-N 1 2 233.315 2.232 20 30 BEEDLO C=CC[C@@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583642 350373074 /nfs/dbraw/zinc/37/30/74/350373074.db2.gz IZSKHGBXYFDUNU-SNVBAGLBSA-N 1 2 244.298 2.420 20 30 BEEDLO N#CCC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000336647626 350417279 /nfs/dbraw/zinc/41/72/79/350417279.db2.gz MOZKDWPSOBCYSD-ZDUSSCGKSA-N 1 2 200.285 2.217 20 30 BEEDLO N#CCC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000336647626 350417283 /nfs/dbraw/zinc/41/72/83/350417283.db2.gz MOZKDWPSOBCYSD-ZDUSSCGKSA-N 1 2 200.285 2.217 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1nc(C)sc1C ZINC000336666753 350428009 /nfs/dbraw/zinc/42/80/09/350428009.db2.gz KYTFCWHWDJUDQV-UHFFFAOYSA-N 1 2 240.372 2.394 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1nc(C)sc1C ZINC000336666753 350428010 /nfs/dbraw/zinc/42/80/10/350428010.db2.gz KYTFCWHWDJUDQV-UHFFFAOYSA-N 1 2 240.372 2.394 20 30 BEEDLO Clc1ccccc1C#CC[N@@H+]1CCCOCC1 ZINC000335415581 538096337 /nfs/dbraw/zinc/09/63/37/538096337.db2.gz ZYUGGFGLPCMVCF-UHFFFAOYSA-N 1 2 249.741 2.414 20 30 BEEDLO Clc1ccccc1C#CC[N@H+]1CCCOCC1 ZINC000335415581 538096339 /nfs/dbraw/zinc/09/63/39/538096339.db2.gz ZYUGGFGLPCMVCF-UHFFFAOYSA-N 1 2 249.741 2.414 20 30 BEEDLO CC(C)(O)CC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000334781954 191113474 /nfs/dbraw/zinc/11/34/74/191113474.db2.gz LBXCSWRKDXKMFF-NSHDSACASA-N 1 2 224.348 2.162 20 30 BEEDLO CC(C)(O)CC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000334781954 191113476 /nfs/dbraw/zinc/11/34/76/191113476.db2.gz LBXCSWRKDXKMFF-NSHDSACASA-N 1 2 224.348 2.162 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC000339165996 350738575 /nfs/dbraw/zinc/73/85/75/350738575.db2.gz ZZWJCESOZWFKBS-LBPRGKRZSA-N 1 2 249.358 2.214 20 30 BEEDLO N#CCC[NH2+]Cc1c(F)cccc1Cl ZINC000020199908 191129724 /nfs/dbraw/zinc/12/97/24/191129724.db2.gz VMSDQLWCGUAHFC-UHFFFAOYSA-N 1 2 212.655 2.482 20 30 BEEDLO Cc1c[nH+]ccc1NC(=O)N(C)C[C@H](C)C#N ZINC000271152519 351406275 /nfs/dbraw/zinc/40/62/75/351406275.db2.gz UBTMLSLCFQUDKU-SECBINFHSA-N 1 2 232.287 2.013 20 30 BEEDLO C[C@@H]1C[C@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000271206808 351408740 /nfs/dbraw/zinc/40/87/40/351408740.db2.gz KNDNTSDBDJBXDW-NPOOOHJJSA-N 1 2 219.284 2.379 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(O)c1OC ZINC000273876500 351550457 /nfs/dbraw/zinc/55/04/57/351550457.db2.gz PVVFKAXZPXKUTA-NSHDSACASA-N 1 2 234.299 2.183 20 30 BEEDLO C[C@@H]1COCC[C@@H]1/[NH+]=C/c1ccccc1O ZINC000277281185 351695927 /nfs/dbraw/zinc/69/59/27/351695927.db2.gz IVQVCXLWCLOCDJ-DEUJPTSVSA-N 1 2 219.284 2.236 20 30 BEEDLO Cc1noc([C@H]2CCCC[N@@H+]2CCCC#N)n1 ZINC000285515134 352047252 /nfs/dbraw/zinc/04/72/52/352047252.db2.gz DQCNYMAPYQUAGD-LLVKDONJSA-N 1 2 234.303 2.209 20 30 BEEDLO Cc1noc([C@H]2CCCC[N@H+]2CCCC#N)n1 ZINC000285515134 352047259 /nfs/dbraw/zinc/04/72/59/352047259.db2.gz DQCNYMAPYQUAGD-LLVKDONJSA-N 1 2 234.303 2.209 20 30 BEEDLO CC#CC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000339761631 191147678 /nfs/dbraw/zinc/14/76/78/191147678.db2.gz SOWXYZFGWAVNKO-UHFFFAOYSA-N 1 2 224.285 2.111 20 30 BEEDLO CC#CC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000339761631 191147680 /nfs/dbraw/zinc/14/76/80/191147680.db2.gz SOWXYZFGWAVNKO-UHFFFAOYSA-N 1 2 224.285 2.111 20 30 BEEDLO N#CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285981542 352068913 /nfs/dbraw/zinc/06/89/13/352068913.db2.gz NZWBVSPEOSSNLQ-KFWWJZLASA-N 1 2 242.322 2.014 20 30 BEEDLO N#CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285981542 352068915 /nfs/dbraw/zinc/06/89/15/352068915.db2.gz NZWBVSPEOSSNLQ-KFWWJZLASA-N 1 2 242.322 2.014 20 30 BEEDLO COc1cccc(C(N)=[NH+]OCCCCF)c1 ZINC000285152168 352025473 /nfs/dbraw/zinc/02/54/73/352025473.db2.gz MBUVSMHJURHDQE-UHFFFAOYSA-N 1 2 240.278 2.082 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000340245821 352111581 /nfs/dbraw/zinc/11/15/81/352111581.db2.gz RTDWSALRTIRXLS-UHFFFAOYSA-N 1 2 236.271 2.308 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000340245821 352111585 /nfs/dbraw/zinc/11/15/85/352111585.db2.gz RTDWSALRTIRXLS-UHFFFAOYSA-N 1 2 236.271 2.308 20 30 BEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cnc[nH]1 ZINC000619510800 352184252 /nfs/dbraw/zinc/18/42/52/352184252.db2.gz YUVQHXSTEZQUEW-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cnc[nH]1 ZINC000619510800 352184254 /nfs/dbraw/zinc/18/42/54/352184254.db2.gz YUVQHXSTEZQUEW-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1c[nH]cn1 ZINC000619510800 352184257 /nfs/dbraw/zinc/18/42/57/352184257.db2.gz YUVQHXSTEZQUEW-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1c[nH]cn1 ZINC000619510800 352184260 /nfs/dbraw/zinc/18/42/60/352184260.db2.gz YUVQHXSTEZQUEW-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO Cc1ccc(NC(=O)CCCC#N)c(C)[nH+]1 ZINC000291848689 352291691 /nfs/dbraw/zinc/29/16/91/352291691.db2.gz GGSAIDZRBRWZAJ-UHFFFAOYSA-N 1 2 217.272 2.331 20 30 BEEDLO C=CC[N@@H+](CCC#N)[C@H]1Cc2ccccc2[C@@H]1O ZINC000292097576 352302337 /nfs/dbraw/zinc/30/23/37/352302337.db2.gz GCKIBMANVPJKKC-GJZGRUSLSA-N 1 2 242.322 2.046 20 30 BEEDLO C=CC[N@H+](CCC#N)[C@H]1Cc2ccccc2[C@@H]1O ZINC000292097576 352302341 /nfs/dbraw/zinc/30/23/41/352302341.db2.gz GCKIBMANVPJKKC-GJZGRUSLSA-N 1 2 242.322 2.046 20 30 BEEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCC#N ZINC000292310172 352314310 /nfs/dbraw/zinc/31/43/10/352314310.db2.gz NGMYCEGAXSIYPY-LBPRGKRZSA-N 1 2 247.317 2.250 20 30 BEEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC#N ZINC000292310172 352314312 /nfs/dbraw/zinc/31/43/12/352314312.db2.gz NGMYCEGAXSIYPY-LBPRGKRZSA-N 1 2 247.317 2.250 20 30 BEEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000411328811 191177727 /nfs/dbraw/zinc/17/77/27/191177727.db2.gz JNYWJPOFKPHGOI-YPMHNXCESA-N 1 2 234.299 2.345 20 30 BEEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000411328811 191177730 /nfs/dbraw/zinc/17/77/30/191177730.db2.gz JNYWJPOFKPHGOI-YPMHNXCESA-N 1 2 234.299 2.345 20 30 BEEDLO COc1cccc(C2([NH2+]CCC#N)CC2)c1 ZINC000411469274 191187074 /nfs/dbraw/zinc/18/70/74/191187074.db2.gz GERLFEFXVPWEOX-UHFFFAOYSA-N 1 2 216.284 2.188 20 30 BEEDLO COc1ccc(C2([NH2+]CCC#N)CC2)cc1 ZINC000411465554 191187864 /nfs/dbraw/zinc/18/78/64/191187864.db2.gz XDZXMPXJMQQQOM-UHFFFAOYSA-N 1 2 216.284 2.188 20 30 BEEDLO C=CC[N@H+](CCC#N)CCc1cncs1 ZINC000411758269 191208901 /nfs/dbraw/zinc/20/89/01/191208901.db2.gz MZJFHXXLCQHBHA-UHFFFAOYSA-N 1 2 221.329 2.087 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCc1cncs1 ZINC000411758269 191208903 /nfs/dbraw/zinc/20/89/03/191208903.db2.gz MZJFHXXLCQHBHA-UHFFFAOYSA-N 1 2 221.329 2.087 20 30 BEEDLO N#Cc1cc(C[NH+]2CCC(F)(F)CC2)ccn1 ZINC000404843381 352591519 /nfs/dbraw/zinc/59/15/19/352591519.db2.gz PHQBCZNPHWVELA-UHFFFAOYSA-N 1 2 237.253 2.184 20 30 BEEDLO C=C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000276379234 187750072 /nfs/dbraw/zinc/75/00/72/187750072.db2.gz PZLYKQRNMCJFPZ-UHFFFAOYSA-N 1 2 206.264 2.373 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cncc(F)c1 ZINC000336746523 352739899 /nfs/dbraw/zinc/73/98/99/352739899.db2.gz RKMAQJGQMCFDEJ-VIFPVBQESA-N 1 2 219.263 2.175 20 30 BEEDLO Cn1c[nH+]cc1CNc1cccc(F)c1C#N ZINC000090165322 180788808 /nfs/dbraw/zinc/78/88/08/180788808.db2.gz SKBQZTVMQLCYJD-UHFFFAOYSA-N 1 2 230.246 2.043 20 30 BEEDLO C=C1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000334235608 352852627 /nfs/dbraw/zinc/85/26/27/352852627.db2.gz KMCJIXDCQFPMPW-UHFFFAOYSA-N 1 2 245.282 2.482 20 30 BEEDLO C=C[C@@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000334272549 352909930 /nfs/dbraw/zinc/90/99/30/352909930.db2.gz IWOURKDWKLSXFF-SECBINFHSA-N 1 2 219.288 2.394 20 30 BEEDLO C=C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000334458151 353109704 /nfs/dbraw/zinc/10/97/04/353109704.db2.gz JOVPNTPPTRWFTO-UHFFFAOYSA-N 1 2 219.288 2.099 20 30 BEEDLO C#CC[N@@H+](Cc1csc(CC)n1)C1CC1 ZINC000274252360 188091269 /nfs/dbraw/zinc/09/12/69/188091269.db2.gz ZVDQHEMSRXTMDZ-UHFFFAOYSA-N 1 2 220.341 2.303 20 30 BEEDLO C#CC[N@H+](Cc1csc(CC)n1)C1CC1 ZINC000274252360 188091271 /nfs/dbraw/zinc/09/12/71/188091271.db2.gz ZVDQHEMSRXTMDZ-UHFFFAOYSA-N 1 2 220.341 2.303 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cccc(F)c1F ZINC000266951591 188088394 /nfs/dbraw/zinc/08/83/94/188088394.db2.gz UGYHYPCJOZDFON-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO C#CC[N@H+](CC)Cc1cccc(F)c1F ZINC000266951591 188088395 /nfs/dbraw/zinc/08/83/95/188088395.db2.gz UGYHYPCJOZDFON-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268519263 188088788 /nfs/dbraw/zinc/08/87/88/188088788.db2.gz WEKBIKPCOCGKTE-SNVBAGLBSA-N 1 2 240.738 2.045 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268519263 188088790 /nfs/dbraw/zinc/08/87/90/188088790.db2.gz WEKBIKPCOCGKTE-SNVBAGLBSA-N 1 2 240.738 2.045 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268519263 188088791 /nfs/dbraw/zinc/08/87/91/188088791.db2.gz WEKBIKPCOCGKTE-SNVBAGLBSA-N 1 2 240.738 2.045 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268519263 188088793 /nfs/dbraw/zinc/08/87/93/188088793.db2.gz WEKBIKPCOCGKTE-SNVBAGLBSA-N 1 2 240.738 2.045 20 30 BEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1cnc(C)cn1 ZINC000331194654 353228721 /nfs/dbraw/zinc/22/87/21/353228721.db2.gz WMZVFLWFAICFPZ-ZYHUDNBSSA-N 1 2 232.331 2.328 20 30 BEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1cnc(C)cn1 ZINC000331194654 353228723 /nfs/dbraw/zinc/22/87/23/353228723.db2.gz WMZVFLWFAICFPZ-ZYHUDNBSSA-N 1 2 232.331 2.328 20 30 BEEDLO C=CCN(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000160577636 353266749 /nfs/dbraw/zinc/26/67/49/353266749.db2.gz YLGOFMFWUPQLNK-UHFFFAOYSA-N 1 2 245.330 2.204 20 30 BEEDLO Cc1cc(F)c(C#N)c(NCc2c[nH+]cn2C)c1 ZINC001640299279 1172164483 /nfs/dbraw/zinc/16/44/83/1172164483.db2.gz NFTQPNOPCNWURG-UHFFFAOYSA-N 1 2 244.273 2.351 20 30 BEEDLO C[C@@H]1OCC[N@H+](CC#Cc2ccccc2)[C@H]1C ZINC000192075403 353534409 /nfs/dbraw/zinc/53/44/09/353534409.db2.gz CBMVMKIQJKXJRH-KBPBESRZSA-N 1 2 229.323 2.147 20 30 BEEDLO C[C@@H]1OCC[N@@H+](CC#Cc2ccccc2)[C@H]1C ZINC000192075403 353534411 /nfs/dbraw/zinc/53/44/11/353534411.db2.gz CBMVMKIQJKXJRH-KBPBESRZSA-N 1 2 229.323 2.147 20 30 BEEDLO C#CC[N@@H+](Cc1ccnn1C)Cc1ccccc1 ZINC000285603541 353536740 /nfs/dbraw/zinc/53/67/40/353536740.db2.gz JJYUXLOXNXLDAA-UHFFFAOYSA-N 1 2 239.322 2.056 20 30 BEEDLO C#CC[N@H+](Cc1ccnn1C)Cc1ccccc1 ZINC000285603541 353536741 /nfs/dbraw/zinc/53/67/41/353536741.db2.gz JJYUXLOXNXLDAA-UHFFFAOYSA-N 1 2 239.322 2.056 20 30 BEEDLO C#CCN(CC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287631337 353589872 /nfs/dbraw/zinc/58/98/72/353589872.db2.gz UYMSQSDJKPGTQH-UHFFFAOYSA-N 1 2 231.299 2.185 20 30 BEEDLO C=CCC[C@H]([NH2+]Cc1nncn1C)c1ccco1 ZINC000285786685 353551099 /nfs/dbraw/zinc/55/10/99/353551099.db2.gz UKQFJSWNUJDSQI-NSHDSACASA-N 1 2 246.314 2.205 20 30 BEEDLO C=CC[C@@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000289264283 353621370 /nfs/dbraw/zinc/62/13/70/353621370.db2.gz OORKFRGWPBVAIS-YPMHNXCESA-N 1 2 242.326 2.448 20 30 BEEDLO COCC[N@H+](Cc1ccc(C)o1)CC1(C#N)CC1 ZINC000343315734 353653916 /nfs/dbraw/zinc/65/39/16/353653916.db2.gz QWMDWYFXJGEPEO-UHFFFAOYSA-N 1 2 248.326 2.340 20 30 BEEDLO COCC[N@@H+](Cc1ccc(C)o1)CC1(C#N)CC1 ZINC000343315734 353653920 /nfs/dbraw/zinc/65/39/20/353653920.db2.gz QWMDWYFXJGEPEO-UHFFFAOYSA-N 1 2 248.326 2.340 20 30 BEEDLO Cc1cnc(C[NH2+]Cc2ccc(CC#N)cc2)o1 ZINC000399022346 353694540 /nfs/dbraw/zinc/69/45/40/353694540.db2.gz HXGBRTIANGLXDT-UHFFFAOYSA-N 1 2 241.294 2.339 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000293088681 353733525 /nfs/dbraw/zinc/73/35/25/353733525.db2.gz KDYBPQSWZFPVJG-UHFFFAOYSA-N 1 2 249.310 2.084 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000293088681 353733530 /nfs/dbraw/zinc/73/35/30/353733530.db2.gz KDYBPQSWZFPVJG-UHFFFAOYSA-N 1 2 249.310 2.084 20 30 BEEDLO C=CCC(C)(C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000292621369 353718537 /nfs/dbraw/zinc/71/85/37/353718537.db2.gz BYEULVBSGNRKLQ-UHFFFAOYSA-N 1 2 249.358 2.334 20 30 BEEDLO C=CCOCC[N@@H+](C)Cc1ncc(CC)s1 ZINC000292841190 353726748 /nfs/dbraw/zinc/72/67/48/353726748.db2.gz PPRYKPBSOBPGHI-UHFFFAOYSA-N 1 2 240.372 2.340 20 30 BEEDLO C=CCOCC[N@H+](C)Cc1ncc(CC)s1 ZINC000292841190 353726751 /nfs/dbraw/zinc/72/67/51/353726751.db2.gz PPRYKPBSOBPGHI-UHFFFAOYSA-N 1 2 240.372 2.340 20 30 BEEDLO C=CCC(C)(C)CNC(=O)CCc1c[nH+]cn1C ZINC000293696727 353754361 /nfs/dbraw/zinc/75/43/61/353754361.db2.gz CZNUTFIUPJRQPD-UHFFFAOYSA-N 1 2 249.358 2.071 20 30 BEEDLO C#C[C@H](NC(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000294158503 353770890 /nfs/dbraw/zinc/77/08/90/353770890.db2.gz HZRSPDURWAWJKG-NSHDSACASA-N 1 2 231.299 2.169 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1c(F)ccc(O)c1F)C(C)C ZINC000294553483 353782239 /nfs/dbraw/zinc/78/22/39/353782239.db2.gz FKEIUSFJJNQKRC-LLVKDONJSA-N 1 2 239.265 2.418 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ncc(C)c(OC)c1C ZINC000293031337 353736044 /nfs/dbraw/zinc/73/60/44/353736044.db2.gz GIHKXSLRFVPBNM-UHFFFAOYSA-N 1 2 232.327 2.162 20 30 BEEDLO CC#CC[N@H+](C)Cc1ncc(C)c(OC)c1C ZINC000293031337 353736047 /nfs/dbraw/zinc/73/60/47/353736047.db2.gz GIHKXSLRFVPBNM-UHFFFAOYSA-N 1 2 232.327 2.162 20 30 BEEDLO C=C(Br)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000293375789 353746211 /nfs/dbraw/zinc/74/62/11/353746211.db2.gz JMZHSGURQOWMIP-XPUUQOCRSA-N 1 2 204.111 2.235 20 30 BEEDLO C=C(Br)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000293375789 353746214 /nfs/dbraw/zinc/74/62/14/353746214.db2.gz JMZHSGURQOWMIP-XPUUQOCRSA-N 1 2 204.111 2.235 20 30 BEEDLO CC#CCCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000294909217 353798000 /nfs/dbraw/zinc/79/80/00/353798000.db2.gz NEGWOOZTRBXDIG-UHFFFAOYSA-N 1 2 241.294 2.466 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ncc(CSC)s1 ZINC000295242470 353806462 /nfs/dbraw/zinc/80/64/62/353806462.db2.gz FAVJRZQTJZBELF-UHFFFAOYSA-N 1 2 240.397 2.461 20 30 BEEDLO C#CC[N@H+](CC)Cc1ncc(CSC)s1 ZINC000295242470 353806464 /nfs/dbraw/zinc/80/64/64/353806464.db2.gz FAVJRZQTJZBELF-UHFFFAOYSA-N 1 2 240.397 2.461 20 30 BEEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000066853193 353818115 /nfs/dbraw/zinc/81/81/15/353818115.db2.gz JMCQWDPUVKAQDS-JSGCOSHPSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000066853193 353818119 /nfs/dbraw/zinc/81/81/19/353818119.db2.gz JMCQWDPUVKAQDS-JSGCOSHPSA-N 1 2 215.296 2.082 20 30 BEEDLO C=CCCO[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000066897054 353819347 /nfs/dbraw/zinc/81/93/47/353819347.db2.gz HUMMDMDLZAUNRX-LLVKDONJSA-N 1 2 234.299 2.310 20 30 BEEDLO COC[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000343582340 353939950 /nfs/dbraw/zinc/93/99/50/353939950.db2.gz OSSOLWHKXHJXMI-ZDUSSCGKSA-N 1 2 230.311 2.267 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)s1 ZINC000130696739 181103450 /nfs/dbraw/zinc/10/34/50/181103450.db2.gz NXUKFCADECINIR-CYBMUJFWSA-N 1 2 248.351 2.231 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)s1 ZINC000130696739 181103453 /nfs/dbraw/zinc/10/34/53/181103453.db2.gz NXUKFCADECINIR-CYBMUJFWSA-N 1 2 248.351 2.231 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000334735228 354536018 /nfs/dbraw/zinc/53/60/18/354536018.db2.gz GPLJAVJBEZVVEY-JTQLQIEISA-N 1 2 221.329 2.236 20 30 BEEDLO N#CCC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000334735228 354536021 /nfs/dbraw/zinc/53/60/21/354536021.db2.gz GPLJAVJBEZVVEY-JTQLQIEISA-N 1 2 221.329 2.236 20 30 BEEDLO Cc1cc(C)c(NC(=O)N(C)CCC#N)c(C)[nH+]1 ZINC000334712130 354508911 /nfs/dbraw/zinc/50/89/11/354508911.db2.gz LDUCEOMJRRDPQV-UHFFFAOYSA-N 1 2 246.314 2.384 20 30 BEEDLO N#Cc1ccccc1Nc1[nH+]cccc1N ZINC000020585516 181149260 /nfs/dbraw/zinc/14/92/60/181149260.db2.gz YIOFOQYWSVNIGH-UHFFFAOYSA-N 1 2 210.240 2.279 20 30 BEEDLO N#Cc1cccnc1NCc1ccn2cc[nH+]c2c1 ZINC000354401228 181153454 /nfs/dbraw/zinc/15/34/54/181153454.db2.gz YTCWUIUDJXJTJS-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO N#CCCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413124395 191357951 /nfs/dbraw/zinc/35/79/51/191357951.db2.gz ONMSPDHAEAQNQE-UHFFFAOYSA-N 1 2 231.303 2.157 20 30 BEEDLO N#CCCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413124395 191357954 /nfs/dbraw/zinc/35/79/54/191357954.db2.gz ONMSPDHAEAQNQE-UHFFFAOYSA-N 1 2 231.303 2.157 20 30 BEEDLO CCc1ccc(C[N@H+](C)C[C@H](C)C#N)cn1 ZINC000347590468 355248563 /nfs/dbraw/zinc/24/85/63/355248563.db2.gz OOULPHDFUJNKMT-LLVKDONJSA-N 1 2 217.316 2.235 20 30 BEEDLO CCc1ccc(C[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000347590468 355248564 /nfs/dbraw/zinc/24/85/64/355248564.db2.gz OOULPHDFUJNKMT-LLVKDONJSA-N 1 2 217.316 2.235 20 30 BEEDLO C=C[C@@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413182822 191361039 /nfs/dbraw/zinc/36/10/39/191361039.db2.gz HHKIPYVCWUQTLY-MRVPVSSYSA-N 1 2 204.277 2.037 20 30 BEEDLO C=C[C@@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413182822 191361041 /nfs/dbraw/zinc/36/10/41/191361041.db2.gz HHKIPYVCWUQTLY-MRVPVSSYSA-N 1 2 204.277 2.037 20 30 BEEDLO C=CCCN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413255879 191366564 /nfs/dbraw/zinc/36/65/64/191366564.db2.gz KPPIRTIZXLXHNY-UHFFFAOYSA-N 1 2 218.304 2.063 20 30 BEEDLO C=CCCN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413255879 191366565 /nfs/dbraw/zinc/36/65/65/191366565.db2.gz KPPIRTIZXLXHNY-UHFFFAOYSA-N 1 2 218.304 2.063 20 30 BEEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2C2CCC2)CCC1 ZINC000335436431 355307668 /nfs/dbraw/zinc/30/76/68/355307668.db2.gz XYAQCMVJGNFTIT-CYBMUJFWSA-N 1 2 234.343 2.181 20 30 BEEDLO N#CC1(C[N@H+]2CCOC[C@@H]2C2CCC2)CCC1 ZINC000335436431 355307670 /nfs/dbraw/zinc/30/76/70/355307670.db2.gz XYAQCMVJGNFTIT-CYBMUJFWSA-N 1 2 234.343 2.181 20 30 BEEDLO COc1c(O)cccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000350467224 355709186 /nfs/dbraw/zinc/70/91/86/355709186.db2.gz ZWPKAQSGUVPWAR-ZYHUDNBSSA-N 1 2 246.310 2.183 20 30 BEEDLO CC(C)(C#N)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000618658061 355722389 /nfs/dbraw/zinc/72/23/89/355722389.db2.gz OXLJHSZRUNFHLI-UHFFFAOYSA-N 1 2 242.282 2.213 20 30 BEEDLO Cc1cc(C#N)cc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000161694897 355776687 /nfs/dbraw/zinc/77/66/87/355776687.db2.gz DQOMYHPVZRSZNY-SECBINFHSA-N 1 2 227.271 2.158 20 30 BEEDLO C=CCC[C@@H](CCC)[NH2+]Cc1c[nH]nn1 ZINC000628363432 355848510 /nfs/dbraw/zinc/84/85/10/355848510.db2.gz JYULCJJIPSQKDI-SNVBAGLBSA-N 1 2 208.309 2.029 20 30 BEEDLO C=CCC[C@@H](CCC)[NH2+]Cc1cn[nH]n1 ZINC000628363432 355848513 /nfs/dbraw/zinc/84/85/13/355848513.db2.gz JYULCJJIPSQKDI-SNVBAGLBSA-N 1 2 208.309 2.029 20 30 BEEDLO CO[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000336111062 134086451 /nfs/dbraw/zinc/08/64/51/134086451.db2.gz OULHEIDQJQBVNZ-GFCCVEGCSA-N 1 2 248.301 2.308 20 30 BEEDLO CO[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000336111062 134086452 /nfs/dbraw/zinc/08/64/52/134086452.db2.gz OULHEIDQJQBVNZ-GFCCVEGCSA-N 1 2 248.301 2.308 20 30 BEEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)CCO1 ZINC000035248242 356425873 /nfs/dbraw/zinc/42/58/73/356425873.db2.gz UHKQRCSXDKMRAZ-UHFFFAOYSA-N 1 2 230.311 2.169 20 30 BEEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000035248242 356425876 /nfs/dbraw/zinc/42/58/76/356425876.db2.gz UHKQRCSXDKMRAZ-UHFFFAOYSA-N 1 2 230.311 2.169 20 30 BEEDLO C=CCOc1ccccc1C[NH2+]Cc1cc[nH]n1 ZINC000041015183 358505010 /nfs/dbraw/zinc/50/50/10/358505010.db2.gz DANLCMPEGGCSQW-UHFFFAOYSA-N 1 2 243.310 2.264 20 30 BEEDLO CC(C)c1nc(NCC2(CC#N)CC2)cc[nH+]1 ZINC000580390093 356445987 /nfs/dbraw/zinc/44/59/87/356445987.db2.gz RUJXPNUXRWDLCI-UHFFFAOYSA-N 1 2 230.315 2.128 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(C2CCC2)no1 ZINC000639571207 356495113 /nfs/dbraw/zinc/49/51/13/356495113.db2.gz HCTYZKFNWHZYRY-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(C2CCC2)no1 ZINC000639571207 356495114 /nfs/dbraw/zinc/49/51/14/356495114.db2.gz HCTYZKFNWHZYRY-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO C=C(C)CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420846067 192267027 /nfs/dbraw/zinc/26/70/27/192267027.db2.gz YVNVAJMDUFTQGC-UHFFFAOYSA-N 1 2 233.315 2.074 20 30 BEEDLO C=CC[N@@H+](C)CC(=O)c1ccccc1F ZINC000639595589 356514855 /nfs/dbraw/zinc/51/48/55/356514855.db2.gz JYCONPSWQPQCAL-UHFFFAOYSA-N 1 2 207.248 2.126 20 30 BEEDLO C=CC[N@H+](C)CC(=O)c1ccccc1F ZINC000639595589 356514857 /nfs/dbraw/zinc/51/48/57/356514857.db2.gz JYCONPSWQPQCAL-UHFFFAOYSA-N 1 2 207.248 2.126 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2CC[C@]23CCOC3)c1F ZINC000421010896 192299369 /nfs/dbraw/zinc/29/93/69/192299369.db2.gz CTHKCXNSDQWVEL-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1cccc(C[N@H+]2CC[C@]23CCOC3)c1F ZINC000421010896 192299371 /nfs/dbraw/zinc/29/93/71/192299371.db2.gz CTHKCXNSDQWVEL-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC#N ZINC000336422275 134146795 /nfs/dbraw/zinc/14/67/95/134146795.db2.gz GFWXJTFLNJAZIX-HTQZYQBOSA-N 1 2 206.211 2.173 20 30 BEEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCC#N ZINC000336422275 134146796 /nfs/dbraw/zinc/14/67/96/134146796.db2.gz GFWXJTFLNJAZIX-HTQZYQBOSA-N 1 2 206.211 2.173 20 30 BEEDLO C=C(C)C[N@@H+](CC)[C@H](C)c1csnn1 ZINC000450245361 202107001 /nfs/dbraw/zinc/10/70/01/202107001.db2.gz OYUCXPFDVRJJMC-SECBINFHSA-N 1 2 211.334 2.497 20 30 BEEDLO C=C(C)C[N@H+](CC)[C@H](C)c1csnn1 ZINC000450245361 202107003 /nfs/dbraw/zinc/10/70/03/202107003.db2.gz OYUCXPFDVRJJMC-SECBINFHSA-N 1 2 211.334 2.497 20 30 BEEDLO CC1(C)CCC[N@H+](C[C@H]2CCOC2)[C@H]1C#N ZINC000336461034 134148005 /nfs/dbraw/zinc/14/80/05/134148005.db2.gz DPVUGSSFFCOGBM-NEPJUHHUSA-N 1 2 222.332 2.037 20 30 BEEDLO CC1(C)CCC[N@@H+](C[C@H]2CCOC2)[C@H]1C#N ZINC000336461034 134148006 /nfs/dbraw/zinc/14/80/06/134148006.db2.gz DPVUGSSFFCOGBM-NEPJUHHUSA-N 1 2 222.332 2.037 20 30 BEEDLO COCC[N@H+](Cc1ccco1)CC1(C#N)CCC1 ZINC000450255658 202112486 /nfs/dbraw/zinc/11/24/86/202112486.db2.gz ZZBZAXINSJDBQY-UHFFFAOYSA-N 1 2 248.326 2.422 20 30 BEEDLO COCC[N@@H+](Cc1ccco1)CC1(C#N)CCC1 ZINC000450255658 202112490 /nfs/dbraw/zinc/11/24/90/202112490.db2.gz ZZBZAXINSJDBQY-UHFFFAOYSA-N 1 2 248.326 2.422 20 30 BEEDLO Cc1cnc([C@H](C)[NH+]2CCC(F)(C#N)CC2)o1 ZINC000352449003 134145362 /nfs/dbraw/zinc/14/53/62/134145362.db2.gz KHNBEWWZHLSTQC-JTQLQIEISA-N 1 2 237.278 2.372 20 30 BEEDLO Cc1ncc(C[NH+]2CCC(F)(C#N)CC2)s1 ZINC000352448231 134145542 /nfs/dbraw/zinc/14/55/42/134145542.db2.gz FWBMKCNZJRVVHL-UHFFFAOYSA-N 1 2 239.319 2.279 20 30 BEEDLO N#CC[N@@H+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000450339065 202131883 /nfs/dbraw/zinc/13/18/83/202131883.db2.gz NPXSFDCQKLEFSL-SECBINFHSA-N 1 2 214.259 2.410 20 30 BEEDLO N#CC[N@H+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000450339065 202131886 /nfs/dbraw/zinc/13/18/86/202131886.db2.gz NPXSFDCQKLEFSL-SECBINFHSA-N 1 2 214.259 2.410 20 30 BEEDLO CSCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000336541944 134149284 /nfs/dbraw/zinc/14/92/84/134149284.db2.gz JXTUHZFJORQJHT-SNVBAGLBSA-N 1 2 212.362 2.364 20 30 BEEDLO CSCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000336541944 134149285 /nfs/dbraw/zinc/14/92/85/134149285.db2.gz JXTUHZFJORQJHT-SNVBAGLBSA-N 1 2 212.362 2.364 20 30 BEEDLO CSCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000336541943 134149296 /nfs/dbraw/zinc/14/92/96/134149296.db2.gz JXTUHZFJORQJHT-JTQLQIEISA-N 1 2 212.362 2.364 20 30 BEEDLO CSCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000336541943 134149297 /nfs/dbraw/zinc/14/92/97/134149297.db2.gz JXTUHZFJORQJHT-JTQLQIEISA-N 1 2 212.362 2.364 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1ncc(COC)s1 ZINC000353178111 134162464 /nfs/dbraw/zinc/16/24/64/134162464.db2.gz ZXLXPLDNTSFATC-UHFFFAOYSA-N 1 2 226.345 2.297 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1ncc(COC)s1 ZINC000353178111 134162465 /nfs/dbraw/zinc/16/24/65/134162465.db2.gz ZXLXPLDNTSFATC-UHFFFAOYSA-N 1 2 226.345 2.297 20 30 BEEDLO Cc1ncccc1C[N@@H+](C)CC(C)(C)C#N ZINC000354016614 134166179 /nfs/dbraw/zinc/16/61/79/134166179.db2.gz AWMKZJHCTXBUHF-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO Cc1ncccc1C[N@H+](C)CC(C)(C)C#N ZINC000354016614 134166180 /nfs/dbraw/zinc/16/61/80/134166180.db2.gz AWMKZJHCTXBUHF-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO CCC#C[C@@H](C)[N@H+](C)Cc1ccns1 ZINC000639806884 356778237 /nfs/dbraw/zinc/77/82/37/356778237.db2.gz IMDLWDYQBBZUJA-SNVBAGLBSA-N 1 2 208.330 2.377 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1ccns1 ZINC000639806884 356778239 /nfs/dbraw/zinc/77/82/39/356778239.db2.gz IMDLWDYQBBZUJA-SNVBAGLBSA-N 1 2 208.330 2.377 20 30 BEEDLO C#CC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000367219166 134176500 /nfs/dbraw/zinc/17/65/00/134176500.db2.gz MEBDOAZSYKHQCG-CYBMUJFWSA-N 1 2 203.260 2.190 20 30 BEEDLO C#CC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000367219166 134176501 /nfs/dbraw/zinc/17/65/01/134176501.db2.gz MEBDOAZSYKHQCG-CYBMUJFWSA-N 1 2 203.260 2.190 20 30 BEEDLO C[C@@H](C#N)C[N@H+](CCc1cscn1)C1CC1 ZINC000450617803 202212816 /nfs/dbraw/zinc/21/28/16/202212816.db2.gz TWABFDROTOPKGV-JTQLQIEISA-N 1 2 235.356 2.310 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](CCc1cscn1)C1CC1 ZINC000450617803 202212817 /nfs/dbraw/zinc/21/28/17/202212817.db2.gz TWABFDROTOPKGV-JTQLQIEISA-N 1 2 235.356 2.310 20 30 BEEDLO N#CC1(C[NH2+]Cc2c(F)cccc2F)CC1 ZINC000390749575 357115323 /nfs/dbraw/zinc/11/53/23/357115323.db2.gz BUYGUEMDEGIWGY-UHFFFAOYSA-N 1 2 222.238 2.358 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000355776724 538803841 /nfs/dbraw/zinc/80/38/41/538803841.db2.gz JRXOPVQXKDPQCR-NSHDSACASA-N 1 2 235.331 2.203 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000355776724 538803846 /nfs/dbraw/zinc/80/38/46/538803846.db2.gz JRXOPVQXKDPQCR-NSHDSACASA-N 1 2 235.331 2.203 20 30 BEEDLO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CCC#N ZINC000358777326 134192417 /nfs/dbraw/zinc/19/24/17/134192417.db2.gz FTXSDAJMYFGSBO-CHWSQXEVSA-N 1 2 224.348 2.427 20 30 BEEDLO C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)CCC#N ZINC000358777326 134192418 /nfs/dbraw/zinc/19/24/18/134192418.db2.gz FTXSDAJMYFGSBO-CHWSQXEVSA-N 1 2 224.348 2.427 20 30 BEEDLO COC[C@@H](C)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000582824894 357408205 /nfs/dbraw/zinc/40/82/05/357408205.db2.gz HWAJSGOWVRATFC-RYUDHWBXSA-N 1 2 224.348 2.283 20 30 BEEDLO COC[C@@H](C)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000582824894 357408209 /nfs/dbraw/zinc/40/82/09/357408209.db2.gz HWAJSGOWVRATFC-RYUDHWBXSA-N 1 2 224.348 2.283 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000361550647 134206472 /nfs/dbraw/zinc/20/64/72/134206472.db2.gz GBYDKGHUARMWMY-NSHDSACASA-N 1 2 242.326 2.021 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000361550647 134206473 /nfs/dbraw/zinc/20/64/73/134206473.db2.gz GBYDKGHUARMWMY-NSHDSACASA-N 1 2 242.326 2.021 20 30 BEEDLO CCCc1cccc(C[NH+]2CC(O)(CC#N)C2)c1 ZINC000191912679 357804299 /nfs/dbraw/zinc/80/42/99/357804299.db2.gz XLGFCAXXJZVAHH-UHFFFAOYSA-N 1 2 244.338 2.099 20 30 BEEDLO C=C(C)Cn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000303095626 134232554 /nfs/dbraw/zinc/23/25/54/134232554.db2.gz PAVGSQMCRVDBQV-LLVKDONJSA-N 1 2 245.326 2.405 20 30 BEEDLO N#CC1(C[N@@H+]2CCC=C(c3ccccn3)C2)CC1 ZINC000583820447 357961300 /nfs/dbraw/zinc/96/13/00/357961300.db2.gz DPUOMQIAIRYKKO-UHFFFAOYSA-N 1 2 239.322 2.474 20 30 BEEDLO N#CC1(C[N@H+]2CCC=C(c3ccccn3)C2)CC1 ZINC000583820447 357961303 /nfs/dbraw/zinc/96/13/03/357961303.db2.gz DPUOMQIAIRYKKO-UHFFFAOYSA-N 1 2 239.322 2.474 20 30 BEEDLO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CC#N)C1 ZINC000373914655 134234950 /nfs/dbraw/zinc/23/49/50/134234950.db2.gz YGFPAFFMZWICJT-MQYQWHSLSA-N 1 2 236.359 2.162 20 30 BEEDLO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC#N)C1 ZINC000373914655 134234951 /nfs/dbraw/zinc/23/49/51/134234951.db2.gz YGFPAFFMZWICJT-MQYQWHSLSA-N 1 2 236.359 2.162 20 30 BEEDLO C[C@H](C#N)C[N@H+](CCc1cscn1)C1CC1 ZINC000450617804 202213879 /nfs/dbraw/zinc/21/38/79/202213879.db2.gz TWABFDROTOPKGV-SNVBAGLBSA-N 1 2 235.356 2.310 20 30 BEEDLO C[C@H](C#N)C[N@@H+](CCc1cscn1)C1CC1 ZINC000450617804 202213881 /nfs/dbraw/zinc/21/38/81/202213881.db2.gz TWABFDROTOPKGV-SNVBAGLBSA-N 1 2 235.356 2.310 20 30 BEEDLO COc1ccc(NCc2ccc(C#N)o2)[nH+]c1 ZINC000610890365 358227164 /nfs/dbraw/zinc/22/71/64/358227164.db2.gz LDTGZOLYBUUWQM-UHFFFAOYSA-N 1 2 229.239 2.167 20 30 BEEDLO C[C@@H](c1cnn(C)c1)[N@H+](C)CC1(C#N)CCC1 ZINC000450692836 202234292 /nfs/dbraw/zinc/23/42/92/202234292.db2.gz ASLPRFFCKPWJJF-NSHDSACASA-N 1 2 232.331 2.107 20 30 BEEDLO C[C@@H](c1cnn(C)c1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450692836 202234294 /nfs/dbraw/zinc/23/42/94/202234294.db2.gz ASLPRFFCKPWJJF-NSHDSACASA-N 1 2 232.331 2.107 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000127141393 358559664 /nfs/dbraw/zinc/55/96/64/358559664.db2.gz BTFXSPBDRSLHJB-UHFFFAOYSA-N 1 2 246.314 2.040 20 30 BEEDLO C=CC[N@H+](C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000127141393 358559665 /nfs/dbraw/zinc/55/96/65/358559665.db2.gz BTFXSPBDRSLHJB-UHFFFAOYSA-N 1 2 246.314 2.040 20 30 BEEDLO C#CC[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128502915 358576721 /nfs/dbraw/zinc/57/67/21/358576721.db2.gz XIJYUVMIQNGULS-CQSZACIVSA-N 1 2 233.286 2.141 20 30 BEEDLO C#CC[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000128502915 358576725 /nfs/dbraw/zinc/57/67/25/358576725.db2.gz XIJYUVMIQNGULS-CQSZACIVSA-N 1 2 233.286 2.141 20 30 BEEDLO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)CC#N ZINC000129191894 358583715 /nfs/dbraw/zinc/58/37/15/358583715.db2.gz WMRAOIQPEDWSAJ-LLVKDONJSA-N 1 2 243.310 2.301 20 30 BEEDLO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)CC#N ZINC000129191894 358583718 /nfs/dbraw/zinc/58/37/18/358583718.db2.gz WMRAOIQPEDWSAJ-LLVKDONJSA-N 1 2 243.310 2.301 20 30 BEEDLO CC#CCOc1cccc(-n2cc[nH+]c2)c1 ZINC000180626489 366524749 /nfs/dbraw/zinc/52/47/49/366524749.db2.gz KOLWKYRQPXWRMN-UHFFFAOYSA-N 1 2 212.252 2.274 20 30 BEEDLO CC(C)CC[N@H+](CCC#N)Cc1cn[nH]c1 ZINC000611268817 359284808 /nfs/dbraw/zinc/28/48/08/359284808.db2.gz LVQNOGMVUFMTGG-UHFFFAOYSA-N 1 2 220.320 2.171 20 30 BEEDLO CC(C)CC[N@@H+](CCC#N)Cc1cn[nH]c1 ZINC000611268817 359284810 /nfs/dbraw/zinc/28/48/10/359284810.db2.gz LVQNOGMVUFMTGG-UHFFFAOYSA-N 1 2 220.320 2.171 20 30 BEEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cn[nH]c1 ZINC000611268867 359284825 /nfs/dbraw/zinc/28/48/25/359284825.db2.gz RDRPHZOSXRQWKX-UHFFFAOYSA-N 1 2 220.320 2.171 20 30 BEEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cn[nH]c1 ZINC000611268867 359284826 /nfs/dbraw/zinc/28/48/26/359284826.db2.gz RDRPHZOSXRQWKX-UHFFFAOYSA-N 1 2 220.320 2.171 20 30 BEEDLO N#CC1(C[N@@H+]2CCOc3ccccc3C2)CC1 ZINC000611429246 359367489 /nfs/dbraw/zinc/36/74/89/359367489.db2.gz PWUMCEVYCOANII-UHFFFAOYSA-N 1 2 228.295 2.185 20 30 BEEDLO N#CC1(C[N@H+]2CCOc3ccccc3C2)CC1 ZINC000611429246 359367492 /nfs/dbraw/zinc/36/74/92/359367492.db2.gz PWUMCEVYCOANII-UHFFFAOYSA-N 1 2 228.295 2.185 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@@H]1F ZINC000611521420 359388731 /nfs/dbraw/zinc/38/87/31/359388731.db2.gz FTIOJKQGNCXOGH-SKDRFNHKSA-N 1 2 222.263 2.331 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@@H]1F ZINC000611521420 359388733 /nfs/dbraw/zinc/38/87/33/359388733.db2.gz FTIOJKQGNCXOGH-SKDRFNHKSA-N 1 2 222.263 2.331 20 30 BEEDLO C=CC[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000628493723 359670020 /nfs/dbraw/zinc/67/00/20/359670020.db2.gz VUXHKVSLKJVTOG-STQMWFEESA-N 1 2 247.342 2.259 20 30 BEEDLO COc1cc[nH+]c(CN2CCC[C@](C)(C#N)C2)c1 ZINC000612161816 359713328 /nfs/dbraw/zinc/71/33/28/359713328.db2.gz ISKUFDGJWZMZSO-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO Cc1noc([C@@H](C)[N@H+](C)CCC(C)(C)C#N)n1 ZINC000578374706 366544965 /nfs/dbraw/zinc/54/49/65/366544965.db2.gz JGBOTVJBCOIFQC-SECBINFHSA-N 1 2 236.319 2.311 20 30 BEEDLO Cc1noc([C@@H](C)[N@@H+](C)CCC(C)(C)C#N)n1 ZINC000578374706 366544971 /nfs/dbraw/zinc/54/49/71/366544971.db2.gz JGBOTVJBCOIFQC-SECBINFHSA-N 1 2 236.319 2.311 20 30 BEEDLO CCn1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000612406594 359834084 /nfs/dbraw/zinc/83/40/84/359834084.db2.gz QATFSVGMHHZNBP-CYBMUJFWSA-N 1 2 232.331 2.029 20 30 BEEDLO CCn1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cn1 ZINC000612406594 359834088 /nfs/dbraw/zinc/83/40/88/359834088.db2.gz QATFSVGMHHZNBP-CYBMUJFWSA-N 1 2 232.331 2.029 20 30 BEEDLO CC[C@H](C)Oc1cc(C[NH2+]CCC#N)ccn1 ZINC000578524191 366590204 /nfs/dbraw/zinc/59/02/04/366590204.db2.gz LRXXMTODEXWPSW-NSHDSACASA-N 1 2 233.315 2.262 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000578656448 366622352 /nfs/dbraw/zinc/62/23/52/366622352.db2.gz WVZAAMWSPQFNJT-QWHCGFSZSA-N 1 2 247.342 2.401 20 30 BEEDLO CC[N@@H+](Cc1ccc(C#N)o1)C[C@@H](C)C#N ZINC000091983005 360141190 /nfs/dbraw/zinc/14/11/90/360141190.db2.gz UNZBTAFSFDTVOP-JTQLQIEISA-N 1 2 217.272 2.133 20 30 BEEDLO CC[N@H+](Cc1ccc(C#N)o1)C[C@@H](C)C#N ZINC000091983005 360141194 /nfs/dbraw/zinc/14/11/94/360141194.db2.gz UNZBTAFSFDTVOP-JTQLQIEISA-N 1 2 217.272 2.133 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cc(F)cc(F)c1 ZINC000067406063 370667623 /nfs/dbraw/zinc/66/76/23/370667623.db2.gz MKGNYBXMCRGQHP-MRVPVSSYSA-N 1 2 210.227 2.357 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1cccc(F)c1C#N ZINC000428945732 201052113 /nfs/dbraw/zinc/05/21/13/201052113.db2.gz ZZSMNNYGCAKXAV-UHFFFAOYSA-N 1 2 248.301 2.332 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1cccc(F)c1C#N ZINC000428945732 201052116 /nfs/dbraw/zinc/05/21/16/201052116.db2.gz ZZSMNNYGCAKXAV-UHFFFAOYSA-N 1 2 248.301 2.332 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579373082 366774655 /nfs/dbraw/zinc/77/46/55/366774655.db2.gz WMVYIYHPLHFPHC-RYUDHWBXSA-N 1 2 249.358 2.449 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579373082 366774660 /nfs/dbraw/zinc/77/46/60/366774660.db2.gz WMVYIYHPLHFPHC-RYUDHWBXSA-N 1 2 249.358 2.449 20 30 BEEDLO CCOc1ccc2c(c1)CC[N@@H+](CCC#N)C2 ZINC000433450095 201186003 /nfs/dbraw/zinc/18/60/03/201186003.db2.gz KXAZMGWNMFIHFN-UHFFFAOYSA-N 1 2 230.311 2.357 20 30 BEEDLO CCOc1ccc2c(c1)CC[N@H+](CCC#N)C2 ZINC000433450095 201186005 /nfs/dbraw/zinc/18/60/05/201186005.db2.gz KXAZMGWNMFIHFN-UHFFFAOYSA-N 1 2 230.311 2.357 20 30 BEEDLO COc1cc[nH+]c(CN(C)CC(C)(C)C#N)c1 ZINC000433294919 201177502 /nfs/dbraw/zinc/17/75/02/201177502.db2.gz NSPWZIZLJSLVSL-UHFFFAOYSA-N 1 2 233.315 2.072 20 30 BEEDLO Cc1nc2[nH]ccc2c(N2CCC(C#N)CC2)[nH+]1 ZINC000433786473 201194055 /nfs/dbraw/zinc/19/40/55/201194055.db2.gz XOXDIRVXTOBKSK-UHFFFAOYSA-N 1 2 241.298 2.006 20 30 BEEDLO C=C(C)c1ccc(N(C)CCOC)[nH+]c1 ZINC000629730039 361669314 /nfs/dbraw/zinc/66/93/14/361669314.db2.gz OTGBOXFUKJHZEP-UHFFFAOYSA-N 1 2 206.289 2.197 20 30 BEEDLO C[N@H+](CC#Cc1ccc(F)cc1)Cc1cc[nH]n1 ZINC000437364016 201351114 /nfs/dbraw/zinc/35/11/14/201351114.db2.gz NPVDZZCNGCKSBF-UHFFFAOYSA-N 1 2 243.285 2.032 20 30 BEEDLO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cc[nH]n1 ZINC000437364016 201351117 /nfs/dbraw/zinc/35/11/17/201351117.db2.gz NPVDZZCNGCKSBF-UHFFFAOYSA-N 1 2 243.285 2.032 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1cc(C)ccc1C ZINC000619722583 363951650 /nfs/dbraw/zinc/95/16/50/363951650.db2.gz UDQUWAKZSXXILY-CQSZACIVSA-N 1 2 247.338 2.463 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1cc(C)ccc1C ZINC000619722583 363951656 /nfs/dbraw/zinc/95/16/56/363951656.db2.gz UDQUWAKZSXXILY-CQSZACIVSA-N 1 2 247.338 2.463 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1cc(C)ccc1C ZINC000619722582 363951087 /nfs/dbraw/zinc/95/10/87/363951087.db2.gz UDQUWAKZSXXILY-AWEZNQCLSA-N 1 2 247.338 2.463 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1cc(C)ccc1C ZINC000619722582 363951091 /nfs/dbraw/zinc/95/10/91/363951091.db2.gz UDQUWAKZSXXILY-AWEZNQCLSA-N 1 2 247.338 2.463 20 30 BEEDLO C=C[C@H](CO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000291197889 364771026 /nfs/dbraw/zinc/77/10/26/364771026.db2.gz UBUSLAMZMAUDKL-MRVPVSSYSA-N 1 2 232.205 2.059 20 30 BEEDLO CCN(CC)[C@H](C[NH2+]CCC#N)c1ccco1 ZINC000573914316 364943715 /nfs/dbraw/zinc/94/37/15/364943715.db2.gz ZZJFGDINNXETHB-GFCCVEGCSA-N 1 2 235.331 2.166 20 30 BEEDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C#N)s2)o1 ZINC000574410221 365056985 /nfs/dbraw/zinc/05/69/85/365056985.db2.gz CHGRDTGSMRYUDM-ZETCQYMHSA-N 1 2 248.311 2.162 20 30 BEEDLO CC[C@H](C#N)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000258885826 370858309 /nfs/dbraw/zinc/85/83/09/370858309.db2.gz YBYFQUOOUWVJNA-SECBINFHSA-N 1 2 242.282 2.360 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1nccn1C(F)F ZINC000381547229 367428560 /nfs/dbraw/zinc/42/85/60/367428560.db2.gz KYOXKZKSKJBHOG-MRVPVSSYSA-N 1 2 228.246 2.060 20 30 BEEDLO CCN(CCC#N)Cc1cn2cccc(C)c2[nH+]1 ZINC000081515268 370885940 /nfs/dbraw/zinc/88/59/40/370885940.db2.gz SWMIVQXJEUPKAQ-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO C#CC[N@@H+](Cc1noc(C)n1)C1CCCCC1 ZINC000065960490 368636365 /nfs/dbraw/zinc/63/63/65/368636365.db2.gz WXTDYNKWOINSTP-UHFFFAOYSA-N 1 2 233.315 2.146 20 30 BEEDLO C#CC[N@H+](Cc1noc(C)n1)C1CCCCC1 ZINC000065960490 368636370 /nfs/dbraw/zinc/63/63/70/368636370.db2.gz WXTDYNKWOINSTP-UHFFFAOYSA-N 1 2 233.315 2.146 20 30 BEEDLO C=CCCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068569793 368730780 /nfs/dbraw/zinc/73/07/80/368730780.db2.gz SUNCCQVUOBOJGM-UHFFFAOYSA-N 1 2 243.310 2.225 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cn2ccccc2n1 ZINC000088627217 368920605 /nfs/dbraw/zinc/92/06/05/368920605.db2.gz HVBGYGVVDXKXAL-LLVKDONJSA-N 1 2 228.299 2.116 20 30 BEEDLO C[C@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1C ZINC000459484142 203291078 /nfs/dbraw/zinc/29/10/78/203291078.db2.gz GHLKSMMQMLGYML-UWVGGRQHSA-N 1 2 245.282 2.307 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1C ZINC000459484142 203291082 /nfs/dbraw/zinc/29/10/82/203291082.db2.gz GHLKSMMQMLGYML-UWVGGRQHSA-N 1 2 245.282 2.307 20 30 BEEDLO COCCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405093803 369445564 /nfs/dbraw/zinc/44/55/64/369445564.db2.gz XVUNETLBSNKJQU-UHFFFAOYSA-N 1 2 230.311 2.300 20 30 BEEDLO COCCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405093803 369445566 /nfs/dbraw/zinc/44/55/66/369445566.db2.gz XVUNETLBSNKJQU-UHFFFAOYSA-N 1 2 230.311 2.300 20 30 BEEDLO N#CCCCC[N@H+]1CCCC(F)(F)C1 ZINC000404809558 369435815 /nfs/dbraw/zinc/43/58/15/369435815.db2.gz WWIAQJIAQLPOMY-UHFFFAOYSA-N 1 2 202.248 2.411 20 30 BEEDLO N#CCCCC[N@@H+]1CCCC(F)(F)C1 ZINC000404809558 369435819 /nfs/dbraw/zinc/43/58/19/369435819.db2.gz WWIAQJIAQLPOMY-UHFFFAOYSA-N 1 2 202.248 2.411 20 30 BEEDLO C[N@H+](CCC#N)CCc1c(F)cccc1F ZINC000402846390 369393179 /nfs/dbraw/zinc/39/31/79/369393179.db2.gz ZQPVYVCYNACUAP-UHFFFAOYSA-N 1 2 224.254 2.353 20 30 BEEDLO C[N@@H+](CCC#N)CCc1c(F)cccc1F ZINC000402846390 369393182 /nfs/dbraw/zinc/39/31/82/369393182.db2.gz ZQPVYVCYNACUAP-UHFFFAOYSA-N 1 2 224.254 2.353 20 30 BEEDLO Cc1[nH+]ccc(N2CC[C@@](F)(C#N)C2)c1Cl ZINC000619587346 369487488 /nfs/dbraw/zinc/48/74/88/369487488.db2.gz MFVUNVMWEXCHBK-LLVKDONJSA-N 1 2 239.681 2.485 20 30 BEEDLO C=C[C@H]([NH2+][C@H]1C[C@H]1C1CCCCC1)C(=O)OC ZINC000619702482 369535752 /nfs/dbraw/zinc/53/57/52/369535752.db2.gz NNFFFUAJPUHWRS-AVGNSLFASA-N 1 2 237.343 2.272 20 30 BEEDLO Cc1occc1C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602448662 369789268 /nfs/dbraw/zinc/78/92/68/369789268.db2.gz LEOWHUWFSOTIJX-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1occc1C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602448662 369789275 /nfs/dbraw/zinc/78/92/75/369789275.db2.gz LEOWHUWFSOTIJX-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO N#Cc1cccc2c1C[N@H+](CCC[C@@H]1CCO1)C2 ZINC000602706961 369844170 /nfs/dbraw/zinc/84/41/70/369844170.db2.gz RFDSFOKERWGLSK-CQSZACIVSA-N 1 2 242.322 2.443 20 30 BEEDLO N#Cc1cccc2c1C[N@@H+](CCC[C@@H]1CCO1)C2 ZINC000602706961 369844175 /nfs/dbraw/zinc/84/41/75/369844175.db2.gz RFDSFOKERWGLSK-CQSZACIVSA-N 1 2 242.322 2.443 20 30 BEEDLO CC[C@@H](C#N)C(=O)Nc1ccc(C)[nH+]c1C ZINC000094666175 369896576 /nfs/dbraw/zinc/89/65/76/369896576.db2.gz SGYWWXKTUCGTSP-JTQLQIEISA-N 1 2 217.272 2.187 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620604630 369953023 /nfs/dbraw/zinc/95/30/23/369953023.db2.gz TZUAERARADZETJ-WDEREUQCSA-N 1 2 235.331 2.200 20 30 BEEDLO C=CCCC(C)(C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000620857094 370010894 /nfs/dbraw/zinc/01/08/94/370010894.db2.gz NDGRNJNVNMCXIR-UHFFFAOYSA-N 1 2 235.331 2.122 20 30 BEEDLO C=CCCC(C)(C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000620857094 370010899 /nfs/dbraw/zinc/01/08/99/370010899.db2.gz NDGRNJNVNMCXIR-UHFFFAOYSA-N 1 2 235.331 2.122 20 30 BEEDLO C[N@H+](Cc1ccncc1)[C@H]1CCC[C@H]1C#N ZINC000252406873 370022213 /nfs/dbraw/zinc/02/22/13/370022213.db2.gz GWMOYZQOUTWPGP-STQMWFEESA-N 1 2 215.300 2.206 20 30 BEEDLO C[N@@H+](Cc1ccncc1)[C@H]1CCC[C@H]1C#N ZINC000252406873 370022218 /nfs/dbraw/zinc/02/22/18/370022218.db2.gz GWMOYZQOUTWPGP-STQMWFEESA-N 1 2 215.300 2.206 20 30 BEEDLO CCc1cc(NCC2(CC#N)CC2)nc[nH+]1 ZINC000309665315 370241267 /nfs/dbraw/zinc/24/12/67/370241267.db2.gz SZCSMSDADZCRBZ-UHFFFAOYSA-N 1 2 216.288 2.145 20 30 BEEDLO Cc1ncc(C[N@H+](C)C[C@H](C#N)CCC#N)s1 ZINC000076514282 370303999 /nfs/dbraw/zinc/30/39/99/370303999.db2.gz UREJDMKLKUMYJE-NSHDSACASA-N 1 2 248.355 2.327 20 30 BEEDLO Cc1ncc(C[N@@H+](C)C[C@H](C#N)CCC#N)s1 ZINC000076514282 370304002 /nfs/dbraw/zinc/30/40/02/370304002.db2.gz UREJDMKLKUMYJE-NSHDSACASA-N 1 2 248.355 2.327 20 30 BEEDLO CC1(C)C[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000091917902 371070062 /nfs/dbraw/zinc/07/00/62/371070062.db2.gz PPRNDINYHBSVFW-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000091917902 371070065 /nfs/dbraw/zinc/07/00/65/371070065.db2.gz PPRNDINYHBSVFW-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1cnccn1 ZINC000092591690 371105220 /nfs/dbraw/zinc/10/52/20/371105220.db2.gz MYNLWYHPEWSKOQ-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1cnccn1 ZINC000092591690 371105224 /nfs/dbraw/zinc/10/52/24/371105224.db2.gz MYNLWYHPEWSKOQ-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(F)F ZINC000228505101 372037693 /nfs/dbraw/zinc/03/76/93/372037693.db2.gz RVYSFGFBWUEEKV-MRVPVSSYSA-N 1 2 210.227 2.301 20 30 BEEDLO C=C[C@@H](C)Nc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631162326 372214125 /nfs/dbraw/zinc/21/41/25/372214125.db2.gz ZVNXAOGAWUJNBP-MRVPVSSYSA-N 1 2 228.299 2.244 20 30 BEEDLO Cc1cc(NC[C@H](C)C(F)(F)F)c(C#N)c[nH+]1 ZINC000425228674 206020800 /nfs/dbraw/zinc/02/08/00/206020800.db2.gz ASFGWJUOAQUPOQ-ZETCQYMHSA-N 1 2 243.232 2.294 20 30 BEEDLO Cc1cc(NC[C@@H](C)C(F)(F)F)c(C#N)c[nH+]1 ZINC000425228670 206020936 /nfs/dbraw/zinc/02/09/36/206020936.db2.gz ASFGWJUOAQUPOQ-SSDOTTSWSA-N 1 2 243.232 2.294 20 30 BEEDLO C=CCSCCNc1cc(C)[nH+]cn1 ZINC000226386190 134364836 /nfs/dbraw/zinc/36/48/36/134364836.db2.gz QMNHOVHWSPXDKB-UHFFFAOYSA-N 1 2 209.318 2.116 20 30 BEEDLO C=CCC(C)(C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000293791721 383996975 /nfs/dbraw/zinc/99/69/75/383996975.db2.gz OTWAKDJVDSKVQE-UHFFFAOYSA-N 1 2 235.331 2.061 20 30 BEEDLO C=CCC(C)(C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000293791721 383996979 /nfs/dbraw/zinc/99/69/79/383996979.db2.gz OTWAKDJVDSKVQE-UHFFFAOYSA-N 1 2 235.331 2.061 20 30 BEEDLO CCC1(C)C[NH+](Cc2nc(C#N)cs2)C1 ZINC000334786379 383954545 /nfs/dbraw/zinc/95/45/45/383954545.db2.gz HOWYLUCQEJYAET-UHFFFAOYSA-N 1 2 221.329 2.247 20 30 BEEDLO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000560615775 384158349 /nfs/dbraw/zinc/15/83/49/384158349.db2.gz QNPRTRFWFOEPNM-LLVKDONJSA-N 1 2 249.383 2.146 20 30 BEEDLO CC[C@@H]1CN(C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000560615775 384158352 /nfs/dbraw/zinc/15/83/52/384158352.db2.gz QNPRTRFWFOEPNM-LLVKDONJSA-N 1 2 249.383 2.146 20 30 BEEDLO C#CCCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000270875074 533040813 /nfs/dbraw/zinc/04/08/13/533040813.db2.gz CWUPVPRRBIDISF-UHFFFAOYSA-N 1 2 238.237 2.015 20 30 BEEDLO C=CC[N@@H+](Cc1cnn[nH]1)CC1CCCCC1 ZINC000299403585 384206979 /nfs/dbraw/zinc/20/69/79/384206979.db2.gz VDXHJCASEQREPP-UHFFFAOYSA-N 1 2 234.347 2.373 20 30 BEEDLO C=CC[N@H+](Cc1cnn[nH]1)CC1CCCCC1 ZINC000299403585 384206981 /nfs/dbraw/zinc/20/69/81/384206981.db2.gz VDXHJCASEQREPP-UHFFFAOYSA-N 1 2 234.347 2.373 20 30 BEEDLO C=CC[N@@H+](Cc1c[nH]nn1)CC1CCCCC1 ZINC000299403585 384206986 /nfs/dbraw/zinc/20/69/86/384206986.db2.gz VDXHJCASEQREPP-UHFFFAOYSA-N 1 2 234.347 2.373 20 30 BEEDLO C=CC[N@H+](Cc1c[nH]nn1)CC1CCCCC1 ZINC000299403585 384206988 /nfs/dbraw/zinc/20/69/88/384206988.db2.gz VDXHJCASEQREPP-UHFFFAOYSA-N 1 2 234.347 2.373 20 30 BEEDLO C=CC[N@@H+](Cc1cn[nH]n1)CC1CCCCC1 ZINC000299403585 384206992 /nfs/dbraw/zinc/20/69/92/384206992.db2.gz VDXHJCASEQREPP-UHFFFAOYSA-N 1 2 234.347 2.373 20 30 BEEDLO C=CC[N@H+](Cc1cn[nH]n1)CC1CCCCC1 ZINC000299403585 384206996 /nfs/dbraw/zinc/20/69/96/384206996.db2.gz VDXHJCASEQREPP-UHFFFAOYSA-N 1 2 234.347 2.373 20 30 BEEDLO CC[N@@H+](CC#N)CCCOCCc1ccccc1 ZINC000118002052 384186817 /nfs/dbraw/zinc/18/68/17/384186817.db2.gz NLGQJIBFLPFRGT-UHFFFAOYSA-N 1 2 246.354 2.481 20 30 BEEDLO CC[N@H+](CC#N)CCCOCCc1ccccc1 ZINC000118002052 384186821 /nfs/dbraw/zinc/18/68/21/384186821.db2.gz NLGQJIBFLPFRGT-UHFFFAOYSA-N 1 2 246.354 2.481 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCc2ccccc2C1 ZINC000306064113 384195362 /nfs/dbraw/zinc/19/53/62/384195362.db2.gz XZRXMCAARYGNKA-AWEZNQCLSA-N 1 2 245.322 2.162 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCc2ccccc2C1 ZINC000306064113 384195367 /nfs/dbraw/zinc/19/53/67/384195367.db2.gz XZRXMCAARYGNKA-AWEZNQCLSA-N 1 2 245.322 2.162 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)s1 ZINC000336517253 384231727 /nfs/dbraw/zinc/23/17/27/384231727.db2.gz RUHKRHSJZLTWDU-CYBMUJFWSA-N 1 2 248.351 2.231 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)s1 ZINC000336517253 384231737 /nfs/dbraw/zinc/23/17/37/384231737.db2.gz RUHKRHSJZLTWDU-CYBMUJFWSA-N 1 2 248.351 2.231 20 30 BEEDLO COCc1ccc(C[N@H+](C)[C@H](C)CC#N)o1 ZINC000093090440 384210356 /nfs/dbraw/zinc/21/03/56/384210356.db2.gz CUDVHHOEETXZKR-SNVBAGLBSA-N 1 2 222.288 2.160 20 30 BEEDLO COCc1ccc(C[N@@H+](C)[C@H](C)CC#N)o1 ZINC000093090440 384210357 /nfs/dbraw/zinc/21/03/57/384210357.db2.gz CUDVHHOEETXZKR-SNVBAGLBSA-N 1 2 222.288 2.160 20 30 BEEDLO COC(=O)c1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000042324354 384213195 /nfs/dbraw/zinc/21/31/95/384213195.db2.gz RHSVUSDEPGXJMM-LLVKDONJSA-N 1 2 246.310 2.065 20 30 BEEDLO COC(=O)c1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000042324354 384213198 /nfs/dbraw/zinc/21/31/98/384213198.db2.gz RHSVUSDEPGXJMM-LLVKDONJSA-N 1 2 246.310 2.065 20 30 BEEDLO N#Cc1csc(C[NH2+]Cc2ccsc2)n1 ZINC000336720813 384256391 /nfs/dbraw/zinc/25/63/91/384256391.db2.gz DCVXZJCCKWFTAD-UHFFFAOYSA-N 1 2 235.337 2.366 20 30 BEEDLO CC[N@@H+](CCC#N)CCOc1ccccc1 ZINC000043458183 384275530 /nfs/dbraw/zinc/27/55/30/384275530.db2.gz ADRYBGIZLNYXGC-UHFFFAOYSA-N 1 2 218.300 2.301 20 30 BEEDLO CC[N@H+](CCC#N)CCOc1ccccc1 ZINC000043458183 384275534 /nfs/dbraw/zinc/27/55/34/384275534.db2.gz ADRYBGIZLNYXGC-UHFFFAOYSA-N 1 2 218.300 2.301 20 30 BEEDLO Cc1cc(N2CC[C@H](C3CC3)C2)c(C#N)c[nH+]1 ZINC000335592012 384310987 /nfs/dbraw/zinc/31/09/87/384310987.db2.gz LJDCQJNRCQOMAP-LBPRGKRZSA-N 1 2 227.311 2.498 20 30 BEEDLO Cc1cc(N2CC[C@H](C)C2)c(C#N)c[nH+]1 ZINC000335508736 384295618 /nfs/dbraw/zinc/29/56/18/384295618.db2.gz ASZCOGXLGPECPR-VIFPVBQESA-N 1 2 201.273 2.108 20 30 BEEDLO Cc1cc(N2CCC[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000335509518 384296167 /nfs/dbraw/zinc/29/61/67/384296167.db2.gz DZBDNRCATNXQRL-SNVBAGLBSA-N 1 2 215.300 2.498 20 30 BEEDLO Cc1cc(NC[C@H]2CCCSC2)c(C#N)c[nH+]1 ZINC000335513777 384296558 /nfs/dbraw/zinc/29/65/58/384296558.db2.gz UQVKWTAAAQZBHH-LLVKDONJSA-N 1 2 247.367 2.239 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc(C#N)c1 ZINC000044413335 384329268 /nfs/dbraw/zinc/32/92/68/384329268.db2.gz XSHLQBSUFRPDPW-UHFFFAOYSA-N 1 2 213.284 2.294 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc(C#N)c1 ZINC000044413335 384329271 /nfs/dbraw/zinc/32/92/71/384329271.db2.gz XSHLQBSUFRPDPW-UHFFFAOYSA-N 1 2 213.284 2.294 20 30 BEEDLO CCc1cccc(OCC[N@H+](C)CCC#N)c1 ZINC000078645314 384455132 /nfs/dbraw/zinc/45/51/32/384455132.db2.gz WDLBUCQOVJXKAB-UHFFFAOYSA-N 1 2 232.327 2.473 20 30 BEEDLO CCc1cccc(OCC[N@@H+](C)CCC#N)c1 ZINC000078645314 384455138 /nfs/dbraw/zinc/45/51/38/384455138.db2.gz WDLBUCQOVJXKAB-UHFFFAOYSA-N 1 2 232.327 2.473 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1c[nH]nc1C(C)(C)C ZINC000490916265 384487788 /nfs/dbraw/zinc/48/77/88/384487788.db2.gz RZFOIVNQFLEIKZ-UHFFFAOYSA-N 1 2 243.354 2.166 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1c[nH]nc1C(C)(C)C ZINC000490916265 384487793 /nfs/dbraw/zinc/48/77/93/384487793.db2.gz RZFOIVNQFLEIKZ-UHFFFAOYSA-N 1 2 243.354 2.166 20 30 BEEDLO C=CCCCCC[N@@H+](C)Cc1nnnn1C1CC1 ZINC000150881915 384517646 /nfs/dbraw/zinc/51/76/46/384517646.db2.gz MGRSHFVVROXCQH-UHFFFAOYSA-N 1 2 249.362 2.186 20 30 BEEDLO C=CCCCCC[N@H+](C)Cc1nnnn1C1CC1 ZINC000150881915 384517649 /nfs/dbraw/zinc/51/76/49/384517649.db2.gz MGRSHFVVROXCQH-UHFFFAOYSA-N 1 2 249.362 2.186 20 30 BEEDLO N#CCN(CCCn1cc[nH+]c1)C1CCCC1 ZINC000080215684 384525243 /nfs/dbraw/zinc/52/52/43/384525243.db2.gz RYDJXZZGPVBIMC-UHFFFAOYSA-N 1 2 232.331 2.041 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc2c1OCCO2 ZINC000161793688 384526308 /nfs/dbraw/zinc/52/63/08/384526308.db2.gz LGORNTHLWJANHE-LLVKDONJSA-N 1 2 246.310 2.192 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000161793688 384526312 /nfs/dbraw/zinc/52/63/12/384526312.db2.gz LGORNTHLWJANHE-LLVKDONJSA-N 1 2 246.310 2.192 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccccc1N(C)C ZINC000161897414 384540797 /nfs/dbraw/zinc/54/07/97/384540797.db2.gz QOVGHYPODRMOBF-GFCCVEGCSA-N 1 2 231.343 2.487 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccccc1N(C)C ZINC000161897414 384540808 /nfs/dbraw/zinc/54/08/08/384540808.db2.gz QOVGHYPODRMOBF-GFCCVEGCSA-N 1 2 231.343 2.487 20 30 BEEDLO C[N@H+](Cc1ccco1)Cc1ccc(C#N)o1 ZINC000162152560 384579277 /nfs/dbraw/zinc/57/92/77/384579277.db2.gz YYMZPOIILCQKCS-UHFFFAOYSA-N 1 2 216.240 2.376 20 30 BEEDLO C[N@@H+](Cc1ccco1)Cc1ccc(C#N)o1 ZINC000162152560 384579287 /nfs/dbraw/zinc/57/92/87/384579287.db2.gz YYMZPOIILCQKCS-UHFFFAOYSA-N 1 2 216.240 2.376 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(Cl)n1 ZINC000086114426 384605692 /nfs/dbraw/zinc/60/56/92/384605692.db2.gz FJPGFLSZFSZWTC-SECBINFHSA-N 1 2 223.707 2.469 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(Cl)n1 ZINC000086114426 384605700 /nfs/dbraw/zinc/60/57/00/384605700.db2.gz FJPGFLSZFSZWTC-SECBINFHSA-N 1 2 223.707 2.469 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](F)C2)o1 ZINC000565100510 384607858 /nfs/dbraw/zinc/60/78/58/384607858.db2.gz VRYUYNPCCLMHBI-SECBINFHSA-N 1 2 208.236 2.085 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](F)C2)o1 ZINC000565100510 384607868 /nfs/dbraw/zinc/60/78/68/384607868.db2.gz VRYUYNPCCLMHBI-SECBINFHSA-N 1 2 208.236 2.085 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](F)C2)o1 ZINC000565100519 384609666 /nfs/dbraw/zinc/60/96/66/384609666.db2.gz VRYUYNPCCLMHBI-VIFPVBQESA-N 1 2 208.236 2.085 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](F)C2)o1 ZINC000565100519 384609672 /nfs/dbraw/zinc/60/96/72/384609672.db2.gz VRYUYNPCCLMHBI-VIFPVBQESA-N 1 2 208.236 2.085 20 30 BEEDLO COc1cc(C[N@H+](C)CCC#N)cc(OC)c1 ZINC000098142503 384597849 /nfs/dbraw/zinc/59/78/49/384597849.db2.gz AAHMDJNPBDWAKM-UHFFFAOYSA-N 1 2 234.299 2.049 20 30 BEEDLO COc1cc(C[N@@H+](C)CCC#N)cc(OC)c1 ZINC000098142503 384597856 /nfs/dbraw/zinc/59/78/56/384597856.db2.gz AAHMDJNPBDWAKM-UHFFFAOYSA-N 1 2 234.299 2.049 20 30 BEEDLO N#C[C@H]1CCC[C@@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000335073622 384790864 /nfs/dbraw/zinc/79/08/64/384790864.db2.gz SNZJBFCVQHKSRP-DTWKUNHWSA-N 1 2 214.259 2.456 20 30 BEEDLO N#CCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053156597 384801226 /nfs/dbraw/zinc/80/12/26/384801226.db2.gz BJMKHUSIVMPMEJ-UHFFFAOYSA-N 1 2 212.655 2.482 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000192228123 384913443 /nfs/dbraw/zinc/91/34/43/384913443.db2.gz KGRRPDULRMUYSM-UHFFFAOYSA-N 1 2 238.674 2.313 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000192228123 384913451 /nfs/dbraw/zinc/91/34/51/384913451.db2.gz KGRRPDULRMUYSM-UHFFFAOYSA-N 1 2 238.674 2.313 20 30 BEEDLO C#CCOc1ccc(C[N@H+](CC)CCC#N)cc1 ZINC000127643256 384928231 /nfs/dbraw/zinc/92/82/31/384928231.db2.gz HIHWKOOJJRTELU-UHFFFAOYSA-N 1 2 242.322 2.434 20 30 BEEDLO C#CCOc1ccc(C[N@@H+](CC)CCC#N)cc1 ZINC000127643256 384928236 /nfs/dbraw/zinc/92/82/36/384928236.db2.gz HIHWKOOJJRTELU-UHFFFAOYSA-N 1 2 242.322 2.434 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000058575434 385014769 /nfs/dbraw/zinc/01/47/69/385014769.db2.gz LKIPQHHEVLXJBR-LLVKDONJSA-N 1 2 213.284 2.292 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000058575434 385014774 /nfs/dbraw/zinc/01/47/74/385014774.db2.gz LKIPQHHEVLXJBR-LLVKDONJSA-N 1 2 213.284 2.292 20 30 BEEDLO C=C(C)C(C)(C)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000644702172 385119410 /nfs/dbraw/zinc/11/94/10/385119410.db2.gz ITKUZRJVBKRQAC-UHFFFAOYSA-N 1 2 247.342 2.136 20 30 BEEDLO COc1ccc(OC)c(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000069070877 385257773 /nfs/dbraw/zinc/25/77/73/385257773.db2.gz VPUIKVNQRLTLPK-LLVKDONJSA-N 1 2 248.326 2.438 20 30 BEEDLO COc1ccc(OC)c(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000069070877 385257777 /nfs/dbraw/zinc/25/77/77/385257777.db2.gz VPUIKVNQRLTLPK-LLVKDONJSA-N 1 2 248.326 2.438 20 30 BEEDLO C=C(CC)C[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000308911531 385286715 /nfs/dbraw/zinc/28/67/15/385286715.db2.gz DVKPSDNADJUKPR-QWRGUYRKSA-N 1 2 213.321 2.130 20 30 BEEDLO C=C(CC)C[NH2+][C@@H](C(=O)OC)[C@@H](C)CC ZINC000308911533 385286750 /nfs/dbraw/zinc/28/67/50/385286750.db2.gz DVKPSDNADJUKPR-WDEREUQCSA-N 1 2 213.321 2.130 20 30 BEEDLO Cc1ncsc1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000171988807 385539219 /nfs/dbraw/zinc/53/92/19/385539219.db2.gz DPCKTSRWTOVCCR-LLVKDONJSA-N 1 2 248.355 2.327 20 30 BEEDLO Cc1ncsc1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000171988807 385539221 /nfs/dbraw/zinc/53/92/21/385539221.db2.gz DPCKTSRWTOVCCR-LLVKDONJSA-N 1 2 248.355 2.327 20 30 BEEDLO Cc1cc(C)c(NC(=O)N[C@H](C)CC#N)c(C)[nH+]1 ZINC000334704663 385611965 /nfs/dbraw/zinc/61/19/65/385611965.db2.gz HNMYJTKZGHNQPA-SECBINFHSA-N 1 2 246.314 2.431 20 30 BEEDLO N#Cc1cccc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000336689966 385719847 /nfs/dbraw/zinc/71/98/47/385719847.db2.gz KHQXJLMHSGHQBL-UHFFFAOYSA-N 1 2 222.238 2.446 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc(O)c1 ZINC000094680042 385725866 /nfs/dbraw/zinc/72/58/66/385725866.db2.gz ZBOJQIZSIQJVET-UHFFFAOYSA-N 1 2 204.273 2.128 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc(O)c1 ZINC000094680042 385725870 /nfs/dbraw/zinc/72/58/70/385725870.db2.gz ZBOJQIZSIQJVET-UHFFFAOYSA-N 1 2 204.273 2.128 20 30 BEEDLO C=CCC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000335058234 385959186 /nfs/dbraw/zinc/95/91/86/385959186.db2.gz UAEHWANQTFGVQW-ZIAGYGMSSA-N 1 2 234.343 2.490 20 30 BEEDLO C=CCC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000335058234 385959194 /nfs/dbraw/zinc/95/91/94/385959194.db2.gz UAEHWANQTFGVQW-ZIAGYGMSSA-N 1 2 234.343 2.490 20 30 BEEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCC(F)(F)C2)C1 ZINC000335016804 385972797 /nfs/dbraw/zinc/97/27/97/385972797.db2.gz YFRANTIYVLZENA-DTWKUNHWSA-N 1 2 200.232 2.020 20 30 BEEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCC(F)(F)C2)C1 ZINC000335016804 385972805 /nfs/dbraw/zinc/97/28/05/385972805.db2.gz YFRANTIYVLZENA-DTWKUNHWSA-N 1 2 200.232 2.020 20 30 BEEDLO CC#CCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000166037231 386105175 /nfs/dbraw/zinc/10/51/75/386105175.db2.gz XQUDAHRGZPCYGS-UHFFFAOYSA-N 1 2 239.200 2.473 20 30 BEEDLO C=CCC[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425441150 386072626 /nfs/dbraw/zinc/07/26/26/386072626.db2.gz HUTUGECFEYWGCR-UHFFFAOYSA-N 1 2 217.219 2.015 20 30 BEEDLO C=CCC[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425441150 386072629 /nfs/dbraw/zinc/07/26/29/386072629.db2.gz HUTUGECFEYWGCR-UHFFFAOYSA-N 1 2 217.219 2.015 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CC(C)(C#N)C1 ZINC000287506165 386129832 /nfs/dbraw/zinc/12/98/32/386129832.db2.gz LWKIRWZYMMGKMM-UHFFFAOYSA-N 1 2 244.298 2.076 20 30 BEEDLO CC1(C)C[NH+](C[C@H](C#N)CCC#N)CC(C)(C)O1 ZINC000190528533 386241043 /nfs/dbraw/zinc/24/10/43/386241043.db2.gz BAWSDJJPDDGOHD-LBPRGKRZSA-N 1 2 249.358 2.319 20 30 BEEDLO Cc1cc(N)nc(S[C@@H](C)CCC#N)[nH+]1 ZINC000188264175 386337401 /nfs/dbraw/zinc/33/74/01/386337401.db2.gz YRIWWJVSEYMJTP-QMMMGPOBSA-N 1 2 222.317 2.152 20 30 BEEDLO CC[N@@H+](Cc1ncccc1C)C[C@@H](C)C#N ZINC000093169396 386393409 /nfs/dbraw/zinc/39/34/09/386393409.db2.gz AMLFLSLRRQQDPG-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1ncccc1C)C[C@@H](C)C#N ZINC000093169396 386393416 /nfs/dbraw/zinc/39/34/16/386393416.db2.gz AMLFLSLRRQQDPG-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO Cc1cc(N2CCC[C@@H]2C[C@@H](C)O)c(C#N)c[nH+]1 ZINC000398996100 386410691 /nfs/dbraw/zinc/41/06/91/386410691.db2.gz PIYPGUXRAGPFJL-DGCLKSJQSA-N 1 2 245.326 2.001 20 30 BEEDLO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C)CO1 ZINC000229748342 386470427 /nfs/dbraw/zinc/47/04/27/386470427.db2.gz XESKHYRKDKXUHI-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C)CO1 ZINC000229748342 386470433 /nfs/dbraw/zinc/47/04/33/386470433.db2.gz XESKHYRKDKXUHI-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO CCN(Cc1c[nH+]cn1C(C)C)C[C@@H](C)C#N ZINC000425325422 386561945 /nfs/dbraw/zinc/56/19/45/386561945.db2.gz MNEUQRTXNPTQPO-LBPRGKRZSA-N 1 2 234.347 2.446 20 30 BEEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000328926989 386655603 /nfs/dbraw/zinc/65/56/03/386655603.db2.gz FMTJKHALWSYRTL-OUAUKWLOSA-N 1 2 245.326 2.270 20 30 BEEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1C1CC1 ZINC000328926989 386655608 /nfs/dbraw/zinc/65/56/08/386655608.db2.gz FMTJKHALWSYRTL-OUAUKWLOSA-N 1 2 245.326 2.270 20 30 BEEDLO CCc1ccc(C[NH2+][C@H](CC)CC#N)nc1 ZINC000520248370 386628282 /nfs/dbraw/zinc/62/82/82/386628282.db2.gz ARKQQFMSICEBSB-GFCCVEGCSA-N 1 2 217.316 2.426 20 30 BEEDLO CC[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(F)F ZINC000449363646 386811316 /nfs/dbraw/zinc/81/13/16/386811316.db2.gz QAZDHIXCGIXWBA-JTQLQIEISA-N 1 2 227.258 2.030 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cnc(C2CC2)s1 ZINC000093475595 386834808 /nfs/dbraw/zinc/83/48/08/386834808.db2.gz HIUWHHBGBMPVQJ-UHFFFAOYSA-N 1 2 230.336 2.089 20 30 BEEDLO CC[C@@](C)(C#N)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334844002 386890214 /nfs/dbraw/zinc/89/02/14/386890214.db2.gz DSQZQIPNAYGJNE-ZDUSSCGKSA-N 1 2 246.314 2.098 20 30 BEEDLO CC#CCCCC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456423815 386932683 /nfs/dbraw/zinc/93/26/83/386932683.db2.gz PEXKUWHUBQSYCR-VXGBXAGGSA-N 1 2 245.326 2.199 20 30 BEEDLO Cc1cc(NCCOCCC(C)C)c(C#N)c[nH+]1 ZINC000399528205 386957432 /nfs/dbraw/zinc/95/74/32/386957432.db2.gz SWZFHUIAQHXHPS-UHFFFAOYSA-N 1 2 247.342 2.158 20 30 BEEDLO CCOCC(C)(C)CNc1cc(C)[nH+]cc1C#N ZINC000399524334 386957535 /nfs/dbraw/zinc/95/75/35/386957535.db2.gz RRWFLFRXTKQODU-UHFFFAOYSA-N 1 2 247.342 2.158 20 30 BEEDLO Cc1cc(N(C)C[C@@H]2CCCCO2)c(C#N)c[nH+]1 ZINC000399548967 387002004 /nfs/dbraw/zinc/00/20/04/387002004.db2.gz ZHSWIAPVXNALRZ-ZDUSSCGKSA-N 1 2 245.326 2.267 20 30 BEEDLO C=CCN(CCC#N)Cc1c[nH+]cn1C(C)C ZINC000425382078 387033928 /nfs/dbraw/zinc/03/39/28/387033928.db2.gz NMHIGVORAKKHSA-UHFFFAOYSA-N 1 2 232.331 2.366 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2cccc(C#N)c2F)CCO1 ZINC000223520695 387017676 /nfs/dbraw/zinc/01/76/76/387017676.db2.gz SPRATPXNKHFECP-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCO1 ZINC000223520695 387017679 /nfs/dbraw/zinc/01/76/79/387017679.db2.gz SPRATPXNKHFECP-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO Cc1ncc(CNc2cc(C)[nH+]cc2C#N)s1 ZINC000399570345 387020608 /nfs/dbraw/zinc/02/06/08/387020608.db2.gz IGLIHYIMYMLVSF-UHFFFAOYSA-N 1 2 244.323 2.061 20 30 BEEDLO Cc1cc(NC[C@@H]2CC=CCC2)c(C#N)c[nH+]1 ZINC000399451735 387108940 /nfs/dbraw/zinc/10/89/40/387108940.db2.gz ROPCCOUOPBDURM-GFCCVEGCSA-N 1 2 227.311 2.452 20 30 BEEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1F)C1COC1 ZINC000296095993 387125634 /nfs/dbraw/zinc/12/56/34/387125634.db2.gz RMBMBRSMEWVOMN-UHFFFAOYSA-N 1 2 248.301 2.307 20 30 BEEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1F)C1COC1 ZINC000296095993 387125639 /nfs/dbraw/zinc/12/56/39/387125639.db2.gz RMBMBRSMEWVOMN-UHFFFAOYSA-N 1 2 248.301 2.307 20 30 BEEDLO N#CC1(C[NH2+]Cc2cc(O)cc(F)c2)CCC1 ZINC000418143881 387168338 /nfs/dbraw/zinc/16/83/38/387168338.db2.gz RJGXWYURKVJNOV-UHFFFAOYSA-N 1 2 234.274 2.315 20 30 BEEDLO Cc1ccc(C[N@H+](C)CCC#N)c(C)n1 ZINC000187140349 387169312 /nfs/dbraw/zinc/16/93/12/387169312.db2.gz SVJZZANXSNJAFP-UHFFFAOYSA-N 1 2 203.289 2.044 20 30 BEEDLO Cc1ccc(C[N@@H+](C)CCC#N)c(C)n1 ZINC000187140349 387169318 /nfs/dbraw/zinc/16/93/18/387169318.db2.gz SVJZZANXSNJAFP-UHFFFAOYSA-N 1 2 203.289 2.044 20 30 BEEDLO COCc1ccc(C[NH2+]CC2(C#N)CCC2)o1 ZINC000418137890 387174198 /nfs/dbraw/zinc/17/41/98/387174198.db2.gz FIXXUGCPCKCAGH-UHFFFAOYSA-N 1 2 234.299 2.209 20 30 BEEDLO C=C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000514942948 387310919 /nfs/dbraw/zinc/31/09/19/387310919.db2.gz XGUWNBJDAUJCHR-LBPRGKRZSA-N 1 2 233.315 2.013 20 30 BEEDLO C#CCC[N@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000269849515 387424226 /nfs/dbraw/zinc/42/42/26/387424226.db2.gz GMVXKCIDPNIMNR-ZDUSSCGKSA-N 1 2 233.311 2.239 20 30 BEEDLO C#CCC[N@@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000269849515 387424228 /nfs/dbraw/zinc/42/42/28/387424228.db2.gz GMVXKCIDPNIMNR-ZDUSSCGKSA-N 1 2 233.311 2.239 20 30 BEEDLO C#CC[N@@H+](CC)Cc1c(Cl)n(C)nc1CC ZINC000271140864 387440805 /nfs/dbraw/zinc/44/08/05/387440805.db2.gz PGSFAULELIVLRK-UHFFFAOYSA-N 1 2 239.750 2.091 20 30 BEEDLO C#CC[N@H+](CC)Cc1c(Cl)n(C)nc1CC ZINC000271140864 387440808 /nfs/dbraw/zinc/44/08/08/387440808.db2.gz PGSFAULELIVLRK-UHFFFAOYSA-N 1 2 239.750 2.091 20 30 BEEDLO C=CCCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000263778453 387386164 /nfs/dbraw/zinc/38/61/64/387386164.db2.gz GLIPQAYCVNTELP-UHFFFAOYSA-N 1 2 243.310 2.225 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cc(F)ccc1F ZINC000267350715 387409598 /nfs/dbraw/zinc/40/95/98/387409598.db2.gz UUTZQPOXBWSWFK-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO C#CC[N@H+](CC)Cc1cc(F)ccc1F ZINC000267350715 387409600 /nfs/dbraw/zinc/40/96/00/387409600.db2.gz UUTZQPOXBWSWFK-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO Cc1cncc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352809899 387513240 /nfs/dbraw/zinc/51/32/40/387513240.db2.gz JYPWLDGOFDSXPD-UHFFFAOYSA-N 1 2 244.323 2.008 20 30 BEEDLO CC#CC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000277335090 387532408 /nfs/dbraw/zinc/53/24/08/387532408.db2.gz GSOQFOAPZMMVES-UHFFFAOYSA-N 1 2 244.338 2.043 20 30 BEEDLO CC#CC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000277335090 387532413 /nfs/dbraw/zinc/53/24/13/387532413.db2.gz GSOQFOAPZMMVES-UHFFFAOYSA-N 1 2 244.338 2.043 20 30 BEEDLO C#CC[N@@H+](Cc1ccc(C(=O)OCC)o1)C1CC1 ZINC000274035147 387464480 /nfs/dbraw/zinc/46/44/80/387464480.db2.gz DSCMMHUWRCYTGM-UHFFFAOYSA-N 1 2 247.294 2.054 20 30 BEEDLO C#CC[N@H+](Cc1ccc(C(=O)OCC)o1)C1CC1 ZINC000274035147 387464483 /nfs/dbraw/zinc/46/44/83/387464483.db2.gz DSCMMHUWRCYTGM-UHFFFAOYSA-N 1 2 247.294 2.054 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000274400564 387472082 /nfs/dbraw/zinc/47/20/82/387472082.db2.gz SDHTYQPUVJSNBE-LBPRGKRZSA-N 1 2 247.342 2.212 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000274635824 387484936 /nfs/dbraw/zinc/48/49/36/387484936.db2.gz SIUDCCOLMSKHME-STQMWFEESA-N 1 2 249.358 2.238 20 30 BEEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000278729804 387555426 /nfs/dbraw/zinc/55/54/26/387555426.db2.gz NEFJCWAXFHRSSJ-DGCLKSJQSA-N 1 2 246.310 2.310 20 30 BEEDLO CC#CCC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000376952714 387681646 /nfs/dbraw/zinc/68/16/46/387681646.db2.gz AWVBYLXFHYDMPI-GFCCVEGCSA-N 1 2 233.315 2.318 20 30 BEEDLO CC#CCC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000376952714 387681651 /nfs/dbraw/zinc/68/16/51/387681651.db2.gz AWVBYLXFHYDMPI-GFCCVEGCSA-N 1 2 233.315 2.318 20 30 BEEDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000038034475 387739056 /nfs/dbraw/zinc/73/90/56/387739056.db2.gz PKMIKHJCBSPUML-VIFPVBQESA-N 1 2 242.282 2.101 20 30 BEEDLO COc1ccc[nH+]c1N1CCC(CC#N)CC1 ZINC000527959012 387785850 /nfs/dbraw/zinc/78/58/50/387785850.db2.gz WFCWSONMPIKBBS-UHFFFAOYSA-N 1 2 231.299 2.220 20 30 BEEDLO COc1cc(C)ccc1C[NH2+]C[C@@H](C)C#N ZINC000564041632 387807060 /nfs/dbraw/zinc/80/70/60/387807060.db2.gz YRJJXBPHNBMUAK-NSHDSACASA-N 1 2 218.300 2.253 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000172719841 387873259 /nfs/dbraw/zinc/87/32/59/387873259.db2.gz ULTLUJXIGQFBBA-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO CC#CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000172719841 387873264 /nfs/dbraw/zinc/87/32/64/387873264.db2.gz ULTLUJXIGQFBBA-AWEZNQCLSA-N 1 2 233.286 2.222 20 30 BEEDLO C=CCC[C@H](O)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444726021 387917070 /nfs/dbraw/zinc/91/70/70/387917070.db2.gz IBYFECROQAAAPQ-QWHCGFSZSA-N 1 2 236.359 2.328 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444726021 387917074 /nfs/dbraw/zinc/91/70/74/387917074.db2.gz IBYFECROQAAAPQ-QWHCGFSZSA-N 1 2 236.359 2.328 20 30 BEEDLO COCCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444733427 387917569 /nfs/dbraw/zinc/91/75/69/387917569.db2.gz QXEZLJXBMISRKH-NSHDSACASA-N 1 2 210.321 2.037 20 30 BEEDLO COCCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444733427 387917573 /nfs/dbraw/zinc/91/75/73/387917573.db2.gz QXEZLJXBMISRKH-NSHDSACASA-N 1 2 210.321 2.037 20 30 BEEDLO CC#CC[N@@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000339751063 135080146 /nfs/dbraw/zinc/08/01/46/135080146.db2.gz AVRFOXGMGRNADS-NSHDSACASA-N 1 2 225.332 2.062 20 30 BEEDLO CC#CC[N@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000339751063 135080148 /nfs/dbraw/zinc/08/01/48/135080148.db2.gz AVRFOXGMGRNADS-NSHDSACASA-N 1 2 225.332 2.062 20 30 BEEDLO CC(C)(C)OC1CC[NH+](CCC#N)CC1 ZINC000141441144 388071782 /nfs/dbraw/zinc/07/17/82/388071782.db2.gz OCOPZILSYQCIPT-UHFFFAOYSA-N 1 2 210.321 2.180 20 30 BEEDLO COCC[N@H+](CC#N)C[C@@H]1C(C)=CCC[C@H]1C ZINC000453594016 388088905 /nfs/dbraw/zinc/08/89/05/388088905.db2.gz DJBXFGNMAULLRL-ZIAGYGMSSA-N 1 2 236.359 2.451 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@@H]1C(C)=CCC[C@H]1C ZINC000453594016 388088907 /nfs/dbraw/zinc/08/89/07/388088907.db2.gz DJBXFGNMAULLRL-ZIAGYGMSSA-N 1 2 236.359 2.451 20 30 BEEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000490778763 388253341 /nfs/dbraw/zinc/25/33/41/388253341.db2.gz KRCDQILRFHPGKP-SNVBAGLBSA-N 1 2 235.331 2.383 20 30 BEEDLO C#CC[N@H+](CC)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000490778763 388253343 /nfs/dbraw/zinc/25/33/43/388253343.db2.gz KRCDQILRFHPGKP-SNVBAGLBSA-N 1 2 235.331 2.383 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc(C)sc1C ZINC000490850881 388256777 /nfs/dbraw/zinc/25/67/77/388256777.db2.gz CGFCEYUFPHEEFN-UHFFFAOYSA-N 1 2 208.330 2.215 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc(C)sc1C ZINC000490850881 388256778 /nfs/dbraw/zinc/25/67/78/388256778.db2.gz CGFCEYUFPHEEFN-UHFFFAOYSA-N 1 2 208.330 2.215 20 30 BEEDLO C=CCCCC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456419985 388200147 /nfs/dbraw/zinc/20/01/47/388200147.db2.gz MEZHABZOQBWICP-MNOVXSKESA-N 1 2 233.315 2.361 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C)n1C1CC1 ZINC000489421309 388212676 /nfs/dbraw/zinc/21/26/76/388212676.db2.gz CZZISBQGFNJGAT-LBPRGKRZSA-N 1 2 246.358 2.462 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C)n1C1CC1 ZINC000489421309 388212678 /nfs/dbraw/zinc/21/26/78/388212678.db2.gz CZZISBQGFNJGAT-LBPRGKRZSA-N 1 2 246.358 2.462 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000489441300 388214894 /nfs/dbraw/zinc/21/48/94/388214894.db2.gz QYGSNWCWURMQCJ-LLVKDONJSA-N 1 2 233.315 2.488 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000489441300 388214896 /nfs/dbraw/zinc/21/48/96/388214896.db2.gz QYGSNWCWURMQCJ-LLVKDONJSA-N 1 2 233.315 2.488 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(CC)o1 ZINC000489463236 388215975 /nfs/dbraw/zinc/21/59/75/388215975.db2.gz ZNLHNBUNUBUZDX-SNVBAGLBSA-N 1 2 221.304 2.173 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(CC)o1 ZINC000489463236 388215978 /nfs/dbraw/zinc/21/59/78/388215978.db2.gz ZNLHNBUNUBUZDX-SNVBAGLBSA-N 1 2 221.304 2.173 20 30 BEEDLO C=CCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456855684 388227861 /nfs/dbraw/zinc/22/78/61/388227861.db2.gz IQUCDZYUOZTKLN-UHFFFAOYSA-N 1 2 218.300 2.281 20 30 BEEDLO C=C(C)CNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000489949997 388228935 /nfs/dbraw/zinc/22/89/35/388228935.db2.gz VBSJLAPYZANNDL-UHFFFAOYSA-N 1 2 240.310 2.257 20 30 BEEDLO C[C@H](O)C[N@H+](CC(F)F)CC(C)(C)CCC#N ZINC000449625598 388245452 /nfs/dbraw/zinc/24/54/52/388245452.db2.gz BPKMEMVLJRETMI-JTQLQIEISA-N 1 2 248.317 2.264 20 30 BEEDLO C[C@H](O)C[N@@H+](CC(F)F)CC(C)(C)CCC#N ZINC000449625598 388245454 /nfs/dbraw/zinc/24/54/54/388245454.db2.gz BPKMEMVLJRETMI-JTQLQIEISA-N 1 2 248.317 2.264 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cccc(F)c1C#N ZINC000491286716 388282598 /nfs/dbraw/zinc/28/25/98/388282598.db2.gz JGNBYWJCJJZZQR-JTQLQIEISA-N 1 2 216.259 2.151 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000491286716 388282600 /nfs/dbraw/zinc/28/26/00/388282600.db2.gz JGNBYWJCJJZZQR-JTQLQIEISA-N 1 2 216.259 2.151 20 30 BEEDLO C#CC[NH+](CC#C)Cc1oc(CCC)nc1C ZINC000491316390 388284873 /nfs/dbraw/zinc/28/48/73/388284873.db2.gz VCBILGSEDRKBEC-UHFFFAOYSA-N 1 2 230.311 2.004 20 30 BEEDLO C#CC[N@@H+](Cc1ccsc1C(=O)OC)C1CC1 ZINC000491316994 388285087 /nfs/dbraw/zinc/28/50/87/388285087.db2.gz ZAYOFPGYPBSCNK-UHFFFAOYSA-N 1 2 249.335 2.132 20 30 BEEDLO C#CC[N@H+](Cc1ccsc1C(=O)OC)C1CC1 ZINC000491316994 388285089 /nfs/dbraw/zinc/28/50/89/388285089.db2.gz ZAYOFPGYPBSCNK-UHFFFAOYSA-N 1 2 249.335 2.132 20 30 BEEDLO C#CC[N@H+](Cc1cnns1)C1CCCCC1 ZINC000491426152 388294080 /nfs/dbraw/zinc/29/40/80/388294080.db2.gz DSPSZTTVKDIGTB-UHFFFAOYSA-N 1 2 235.356 2.306 20 30 BEEDLO C#CC[N@@H+](Cc1cnns1)C1CCCCC1 ZINC000491426152 388294082 /nfs/dbraw/zinc/29/40/82/388294082.db2.gz DSPSZTTVKDIGTB-UHFFFAOYSA-N 1 2 235.356 2.306 20 30 BEEDLO C#CC[NH+](CC#C)[C@H](C)c1nc2ccccc2o1 ZINC000491536174 388301824 /nfs/dbraw/zinc/30/18/24/388301824.db2.gz IFOZEILNWYDXQF-GFCCVEGCSA-N 1 2 238.290 2.457 20 30 BEEDLO C#CC[N@@H+](CC)[C@H](CC)C(=O)OC(C)(C)C ZINC000491656864 388308566 /nfs/dbraw/zinc/30/85/66/388308566.db2.gz IYAUUKZOFMOCTH-LLVKDONJSA-N 1 2 225.332 2.062 20 30 BEEDLO C#CC[N@H+](CC)[C@H](CC)C(=O)OC(C)(C)C ZINC000491656864 388308567 /nfs/dbraw/zinc/30/85/67/388308567.db2.gz IYAUUKZOFMOCTH-LLVKDONJSA-N 1 2 225.332 2.062 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(C)c(C)s1 ZINC000491706234 388313362 /nfs/dbraw/zinc/31/33/62/388313362.db2.gz LMDIZKXORXKYAP-MRVPVSSYSA-N 1 2 208.330 2.213 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(C)c(C)s1 ZINC000491706234 388313363 /nfs/dbraw/zinc/31/33/63/388313363.db2.gz LMDIZKXORXKYAP-MRVPVSSYSA-N 1 2 208.330 2.213 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000491711508 388313719 /nfs/dbraw/zinc/31/37/19/388313719.db2.gz VIKJSJPCCSYXMH-VIFPVBQESA-N 1 2 247.323 2.252 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000491711508 388313720 /nfs/dbraw/zinc/31/37/20/388313720.db2.gz VIKJSJPCCSYXMH-VIFPVBQESA-N 1 2 247.323 2.252 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1scnc1C1CC1 ZINC000491732574 388315814 /nfs/dbraw/zinc/31/58/14/388315814.db2.gz ALHSWHWCNYKCLV-UHFFFAOYSA-N 1 2 244.363 2.479 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1scnc1C1CC1 ZINC000491732574 388315815 /nfs/dbraw/zinc/31/58/15/388315815.db2.gz ALHSWHWCNYKCLV-UHFFFAOYSA-N 1 2 244.363 2.479 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000491777576 388320203 /nfs/dbraw/zinc/32/02/03/388320203.db2.gz GHGLZMYSZBPBFQ-SECBINFHSA-N 1 2 220.341 2.474 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000491777576 388320204 /nfs/dbraw/zinc/32/02/04/388320204.db2.gz GHGLZMYSZBPBFQ-SECBINFHSA-N 1 2 220.341 2.474 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(CC)c1 ZINC000491788483 388321153 /nfs/dbraw/zinc/32/11/53/388321153.db2.gz ZGMOZRADTZPILA-LBPRGKRZSA-N 1 2 244.338 2.141 20 30 BEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cccc(CC)c1 ZINC000491788483 388321154 /nfs/dbraw/zinc/32/11/54/388321154.db2.gz ZGMOZRADTZPILA-LBPRGKRZSA-N 1 2 244.338 2.141 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000491806692 388321986 /nfs/dbraw/zinc/32/19/86/388321986.db2.gz RNCPPAAXJGVYQV-UHFFFAOYSA-N 1 2 238.312 2.500 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000491806692 388321987 /nfs/dbraw/zinc/32/19/87/388321987.db2.gz RNCPPAAXJGVYQV-UHFFFAOYSA-N 1 2 238.312 2.500 20 30 BEEDLO CCOC1C[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000459576250 388363801 /nfs/dbraw/zinc/36/38/01/388363801.db2.gz AEGDQGGCHFBVIT-UHFFFAOYSA-N 1 2 230.311 2.087 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)s1 ZINC000271122788 388373481 /nfs/dbraw/zinc/37/34/81/388373481.db2.gz KYUUQAUFXCUOIE-CHWSQXEVSA-N 1 2 248.351 2.373 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)s1 ZINC000271122788 388373484 /nfs/dbraw/zinc/37/34/84/388373484.db2.gz KYUUQAUFXCUOIE-CHWSQXEVSA-N 1 2 248.351 2.373 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000271122790 388373702 /nfs/dbraw/zinc/37/37/02/388373702.db2.gz KYUUQAUFXCUOIE-QWHCGFSZSA-N 1 2 248.351 2.373 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000271122790 388373704 /nfs/dbraw/zinc/37/37/04/388373704.db2.gz KYUUQAUFXCUOIE-QWHCGFSZSA-N 1 2 248.351 2.373 20 30 BEEDLO N#Cc1csc(C[NH+]2C3CCC2CC3)n1 ZINC000519733184 256657863 /nfs/dbraw/zinc/65/78/63/256657863.db2.gz KBGQIDSNGPYNRO-UHFFFAOYSA-N 1 2 219.313 2.142 20 30 BEEDLO N#Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1F ZINC000229751177 388397372 /nfs/dbraw/zinc/39/73/72/388397372.db2.gz HUXHVCBOVOIFEG-BETUJISGSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1F ZINC000229751177 388397375 /nfs/dbraw/zinc/39/73/75/388397375.db2.gz HUXHVCBOVOIFEG-BETUJISGSA-N 1 2 246.285 2.061 20 30 BEEDLO CC[C@@](C)([NH2+]CCC#N)c1nccs1 ZINC000298747867 135200327 /nfs/dbraw/zinc/20/03/27/135200327.db2.gz WIWFCXJGYLAWKG-SNVBAGLBSA-N 1 2 209.318 2.272 20 30 BEEDLO CC#CC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528592892 388550049 /nfs/dbraw/zinc/55/00/49/388550049.db2.gz LHFYHNXTFXWRJO-UHFFFAOYSA-N 1 2 243.354 2.156 20 30 BEEDLO CC#CC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528592892 388550051 /nfs/dbraw/zinc/55/00/51/388550051.db2.gz LHFYHNXTFXWRJO-UHFFFAOYSA-N 1 2 243.354 2.156 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000136342882 388531211 /nfs/dbraw/zinc/53/12/11/388531211.db2.gz LLSMWYLMECFKKU-NSHDSACASA-N 1 2 225.332 2.062 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000136342882 388531214 /nfs/dbraw/zinc/53/12/14/388531214.db2.gz LLSMWYLMECFKKU-NSHDSACASA-N 1 2 225.332 2.062 20 30 BEEDLO COc1ccc(F)c(C[NH2+]CC2(C#N)CC2)c1 ZINC000552215529 388682181 /nfs/dbraw/zinc/68/21/81/388682181.db2.gz OLIWFECUNWSLJY-UHFFFAOYSA-N 1 2 234.274 2.228 20 30 BEEDLO C=CCC(C)(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000551098929 388621790 /nfs/dbraw/zinc/62/17/90/388621790.db2.gz UUCNKIYJCDEXGF-UHFFFAOYSA-N 1 2 249.358 2.382 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc[nH]1 ZINC000425365193 388704607 /nfs/dbraw/zinc/70/46/07/388704607.db2.gz JGUSOELRIHDUFV-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc[nH]1 ZINC000425365193 388704610 /nfs/dbraw/zinc/70/46/10/388704610.db2.gz JGUSOELRIHDUFV-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1c[nH]cn1 ZINC000425365193 388704613 /nfs/dbraw/zinc/70/46/13/388704613.db2.gz JGUSOELRIHDUFV-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1c[nH]cn1 ZINC000425365193 388704616 /nfs/dbraw/zinc/70/46/16/388704616.db2.gz JGUSOELRIHDUFV-LLVKDONJSA-N 1 2 240.310 2.474 20 30 BEEDLO C#C[C@H](C)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000302332337 533298386 /nfs/dbraw/zinc/29/83/86/533298386.db2.gz ADXBYSJFWTWTMK-JTQLQIEISA-N 1 2 238.294 2.281 20 30 BEEDLO C[C@@H](CCCC#N)[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001172494769 974846101 /nfs/dbraw/zinc/84/61/01/974846101.db2.gz XXDBWTFEOCLKOV-WDEREUQCSA-N 1 2 226.295 2.072 20 30 BEEDLO C[C@@H](CCCC#N)[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001172494769 974846105 /nfs/dbraw/zinc/84/61/05/974846105.db2.gz XXDBWTFEOCLKOV-WDEREUQCSA-N 1 2 226.295 2.072 20 30 BEEDLO CC#CCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000351930505 134010766 /nfs/dbraw/zinc/01/07/66/134010766.db2.gz HFCDQKXYXHQQBY-UHFFFAOYSA-N 1 2 231.299 2.233 20 30 BEEDLO C=CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000336144937 134100119 /nfs/dbraw/zinc/10/01/19/134100119.db2.gz BEDYWHAMWVVYDV-UHFFFAOYSA-N 1 2 219.288 2.314 20 30 BEEDLO CC1(C)CCC[N@H+](CC[C@H]2CCOC2)[C@H]1C#N ZINC000336184715 134121181 /nfs/dbraw/zinc/12/11/81/134121181.db2.gz QWDJZMFJVXULNX-STQMWFEESA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCC[N@@H+](CC[C@H]2CCOC2)[C@H]1C#N ZINC000336184715 134121182 /nfs/dbraw/zinc/12/11/82/134121182.db2.gz QWDJZMFJVXULNX-STQMWFEESA-N 1 2 236.359 2.427 20 30 BEEDLO F[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000336263171 134141508 /nfs/dbraw/zinc/14/15/08/134141508.db2.gz VTFLVCXMCBWICU-ZDUSSCGKSA-N 1 2 203.260 2.082 20 30 BEEDLO F[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000336263171 134141509 /nfs/dbraw/zinc/14/15/09/134141509.db2.gz VTFLVCXMCBWICU-ZDUSSCGKSA-N 1 2 203.260 2.082 20 30 BEEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000336260892 134141581 /nfs/dbraw/zinc/14/15/81/134141581.db2.gz RSTOYSKJUSQYCP-GFCCVEGCSA-N 1 2 235.331 2.460 20 30 BEEDLO C[C@]1(C(N)=O)CCCC[N@H+]1CC1(C#N)CCC1 ZINC000336260892 134141582 /nfs/dbraw/zinc/14/15/82/134141582.db2.gz RSTOYSKJUSQYCP-GFCCVEGCSA-N 1 2 235.331 2.460 20 30 BEEDLO COCCCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000352403766 134143454 /nfs/dbraw/zinc/14/34/54/134143454.db2.gz XVPYUHIFXFTXGN-LBPRGKRZSA-N 1 2 224.348 2.427 20 30 BEEDLO COCCCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000352403766 134143455 /nfs/dbraw/zinc/14/34/55/134143455.db2.gz XVPYUHIFXFTXGN-LBPRGKRZSA-N 1 2 224.348 2.427 20 30 BEEDLO C[N@H+](CC#N)C1CCN(c2ccccc2)CC1 ZINC000336628911 134152369 /nfs/dbraw/zinc/15/23/69/134152369.db2.gz GMQIKYCDVLWFOA-UHFFFAOYSA-N 1 2 229.327 2.111 20 30 BEEDLO C[N@@H+](CC#N)C1CCN(c2ccccc2)CC1 ZINC000336628911 134152370 /nfs/dbraw/zinc/15/23/70/134152370.db2.gz GMQIKYCDVLWFOA-UHFFFAOYSA-N 1 2 229.327 2.111 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353175515 134162366 /nfs/dbraw/zinc/16/23/66/134162366.db2.gz SDLXXATWAJJINS-VHSXEESVSA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353175515 134162367 /nfs/dbraw/zinc/16/23/67/134162367.db2.gz SDLXXATWAJJINS-VHSXEESVSA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCSCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000357291603 134182589 /nfs/dbraw/zinc/18/25/89/134182589.db2.gz WUJWXQSKXVISEX-UHFFFAOYSA-N 1 2 248.355 2.019 20 30 BEEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cncc(F)c1 ZINC000361128748 134203655 /nfs/dbraw/zinc/20/36/55/134203655.db2.gz CRKOVDPZERAAMJ-QWRGUYRKSA-N 1 2 246.289 2.315 20 30 BEEDLO C[N@H+](CC#N)C[C@@H]1C[C@H]1c1ccccc1 ZINC000361294215 134204017 /nfs/dbraw/zinc/20/40/17/134204017.db2.gz DAGZPMPCHKVVIX-STQMWFEESA-N 1 2 200.285 2.245 20 30 BEEDLO C[N@@H+](CC#N)C[C@@H]1C[C@H]1c1ccccc1 ZINC000361294215 134204018 /nfs/dbraw/zinc/20/40/18/134204018.db2.gz DAGZPMPCHKVVIX-STQMWFEESA-N 1 2 200.285 2.245 20 30 BEEDLO C=CC[N@H+](CCc1ccco1)Cc1ncccn1 ZINC000361862247 134207655 /nfs/dbraw/zinc/20/76/55/134207655.db2.gz LYUKCBDGRHRQMG-UHFFFAOYSA-N 1 2 243.310 2.300 20 30 BEEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncccn1 ZINC000361862247 134207656 /nfs/dbraw/zinc/20/76/56/134207656.db2.gz LYUKCBDGRHRQMG-UHFFFAOYSA-N 1 2 243.310 2.300 20 30 BEEDLO C=C(C)C[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361984957 134208468 /nfs/dbraw/zinc/20/84/68/134208468.db2.gz MHCKTRFWHAMNKP-OAHLLOKOSA-N 1 2 247.338 2.342 20 30 BEEDLO C=C(C)C[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361984957 134208469 /nfs/dbraw/zinc/20/84/69/134208469.db2.gz MHCKTRFWHAMNKP-OAHLLOKOSA-N 1 2 247.338 2.342 20 30 BEEDLO CC#CC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000369302060 134222586 /nfs/dbraw/zinc/22/25/86/134222586.db2.gz HREDMYWPFBSFLP-UHFFFAOYSA-N 1 2 219.259 2.043 20 30 BEEDLO CC#CC[N@H+]1CCOc2c(F)cccc2C1 ZINC000369302060 134222587 /nfs/dbraw/zinc/22/25/87/134222587.db2.gz HREDMYWPFBSFLP-UHFFFAOYSA-N 1 2 219.259 2.043 20 30 BEEDLO C=CCN(CC=C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370535080 134226435 /nfs/dbraw/zinc/22/64/35/134226435.db2.gz WVDSJWDQDKCNEV-NSHDSACASA-N 1 2 245.326 2.030 20 30 BEEDLO C=CCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371172701 134227383 /nfs/dbraw/zinc/22/73/83/134227383.db2.gz CDYHVVBGCQJFBN-UHFFFAOYSA-N 1 2 233.315 2.082 20 30 BEEDLO C=CCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371172701 134227384 /nfs/dbraw/zinc/22/73/84/134227384.db2.gz CDYHVVBGCQJFBN-UHFFFAOYSA-N 1 2 233.315 2.082 20 30 BEEDLO N#CCCOc1ccc(-n2cc[nH+]c2)cc1 ZINC000121753915 134235228 /nfs/dbraw/zinc/23/52/28/134235228.db2.gz WYSSWTXKOMDARO-UHFFFAOYSA-N 1 2 213.240 2.165 20 30 BEEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nc(CC)no1 ZINC000181251384 134334547 /nfs/dbraw/zinc/33/45/47/134334547.db2.gz WNCOXMDHJLCFPY-SECBINFHSA-N 1 2 209.293 2.201 20 30 BEEDLO C=C(C)C[N@H+](C)[C@H](C)c1nc(CC)no1 ZINC000181251384 134334548 /nfs/dbraw/zinc/33/45/48/134334548.db2.gz WNCOXMDHJLCFPY-SECBINFHSA-N 1 2 209.293 2.201 20 30 BEEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1F ZINC000223553727 134340412 /nfs/dbraw/zinc/34/04/12/134340412.db2.gz BAWFIFWOAWQIIO-BETUJISGSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1F ZINC000223553727 134340413 /nfs/dbraw/zinc/34/04/13/134340413.db2.gz BAWFIFWOAWQIIO-BETUJISGSA-N 1 2 246.285 2.061 20 30 BEEDLO Cc1nnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000223665553 134340876 /nfs/dbraw/zinc/34/08/76/134340876.db2.gz DGXCKHHGJDVDQQ-SECBINFHSA-N 1 2 242.282 2.101 20 30 BEEDLO C=CCSCC[NH2+][C@H](CCCC)C(=O)OC ZINC000227691946 134384373 /nfs/dbraw/zinc/38/43/73/134384373.db2.gz KPPQDPJUKOZIDQ-LLVKDONJSA-N 1 2 245.388 2.227 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)ccc1OC ZINC000054183185 134387481 /nfs/dbraw/zinc/38/74/81/134387481.db2.gz WFJVFVHSIBHPFO-LBPRGKRZSA-N 1 2 248.326 2.486 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)cc1OC ZINC000054182197 134387847 /nfs/dbraw/zinc/38/78/47/134387847.db2.gz KLLGNRYPIOWGHW-LBPRGKRZSA-N 1 2 248.326 2.486 20 30 BEEDLO COc1ccc(C)cc1C[NH2+]CCC#N ZINC000035162040 134601488 /nfs/dbraw/zinc/60/14/88/134601488.db2.gz JUTDVBJCVARGCL-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337416162 135015920 /nfs/dbraw/zinc/01/59/20/135015920.db2.gz ROKLEFJSIWSZOQ-GHMZBOCLSA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000337416162 135015923 /nfs/dbraw/zinc/01/59/23/135015923.db2.gz ROKLEFJSIWSZOQ-GHMZBOCLSA-N 1 2 233.302 2.433 20 30 BEEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1C#N ZINC000234802026 135043974 /nfs/dbraw/zinc/04/39/74/135043974.db2.gz AJCQXLSUNHGTPO-NSHDSACASA-N 1 2 243.310 2.301 20 30 BEEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1C#N ZINC000234802026 135043977 /nfs/dbraw/zinc/04/39/77/135043977.db2.gz AJCQXLSUNHGTPO-NSHDSACASA-N 1 2 243.310 2.301 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](c3ccco3)C2)C1 ZINC000339018494 135052965 /nfs/dbraw/zinc/05/29/65/135052965.db2.gz ZBKWGPJNDKYWMG-YRGRVCCFSA-N 1 2 246.310 2.345 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](c3ccco3)C2)C1 ZINC000339018494 135052968 /nfs/dbraw/zinc/05/29/68/135052968.db2.gz ZBKWGPJNDKYWMG-YRGRVCCFSA-N 1 2 246.310 2.345 20 30 BEEDLO C[N@H+](Cc1cccnc1)CC(C)(C)C#N ZINC000258874216 135135584 /nfs/dbraw/zinc/13/55/84/135135584.db2.gz HBLAJBRSHBZOEL-UHFFFAOYSA-N 1 2 203.289 2.063 20 30 BEEDLO C[N@@H+](Cc1cccnc1)CC(C)(C)C#N ZINC000258874216 135135585 /nfs/dbraw/zinc/13/55/85/135135585.db2.gz HBLAJBRSHBZOEL-UHFFFAOYSA-N 1 2 203.289 2.063 20 30 BEEDLO N#CC[N@H+](CCCCCn1cccn1)C1CC1 ZINC000264233756 135137343 /nfs/dbraw/zinc/13/73/43/135137343.db2.gz ZFDSNPVTCXODBU-UHFFFAOYSA-N 1 2 232.331 2.041 20 30 BEEDLO N#CC[N@@H+](CCCCCn1cccn1)C1CC1 ZINC000264233756 135137345 /nfs/dbraw/zinc/13/73/45/135137345.db2.gz ZFDSNPVTCXODBU-UHFFFAOYSA-N 1 2 232.331 2.041 20 30 BEEDLO Cc1ccc([C@H](O)C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000266549341 135148146 /nfs/dbraw/zinc/14/81/46/135148146.db2.gz SXZOTOQEYIRDHP-GXTWGEPZSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1ccc([C@H](O)C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000266549341 135148148 /nfs/dbraw/zinc/14/81/48/135148148.db2.gz SXZOTOQEYIRDHP-GXTWGEPZSA-N 1 2 232.327 2.120 20 30 BEEDLO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CC#N ZINC000266906176 135150639 /nfs/dbraw/zinc/15/06/39/135150639.db2.gz BKDGTXDKQGBHDT-JSGCOSHPSA-N 1 2 214.312 2.463 20 30 BEEDLO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC#N ZINC000266906176 135150641 /nfs/dbraw/zinc/15/06/41/135150641.db2.gz BKDGTXDKQGBHDT-JSGCOSHPSA-N 1 2 214.312 2.463 20 30 BEEDLO Cc1ncc(CO)c(/C=[NH+]/CC2(C)CCC2)c1O ZINC000267731960 135155529 /nfs/dbraw/zinc/15/55/29/135155529.db2.gz VYSCUFBCBYGPRL-VIZOYTHASA-N 1 2 248.326 2.197 20 30 BEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000293201335 135179452 /nfs/dbraw/zinc/17/94/52/135179452.db2.gz QSXGBYDOJWISGP-ZDUSSCGKSA-N 1 2 244.338 2.277 20 30 BEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000293201335 135179454 /nfs/dbraw/zinc/17/94/54/135179454.db2.gz QSXGBYDOJWISGP-ZDUSSCGKSA-N 1 2 244.338 2.277 20 30 BEEDLO C=CC[N@H+](CCC#N)[C@H]1CC[C@H](C#N)C1 ZINC000293507757 135180673 /nfs/dbraw/zinc/18/06/73/135180673.db2.gz HWHRGAMVWHAGOG-RYUDHWBXSA-N 1 2 203.289 2.080 20 30 BEEDLO C=CC[N@@H+](CCC#N)[C@H]1CC[C@H](C#N)C1 ZINC000293507757 135180674 /nfs/dbraw/zinc/18/06/74/135180674.db2.gz HWHRGAMVWHAGOG-RYUDHWBXSA-N 1 2 203.289 2.080 20 30 BEEDLO Cc1cnc(C(C)(C)[NH2+]CCC#N)s1 ZINC000298021174 135197757 /nfs/dbraw/zinc/19/77/57/135197757.db2.gz AIDILMHIMSZONA-UHFFFAOYSA-N 1 2 209.318 2.190 20 30 BEEDLO N#CCC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000298554761 135199946 /nfs/dbraw/zinc/19/99/46/135199946.db2.gz OQICKEWEQQATED-GFCCVEGCSA-N 1 2 238.718 2.267 20 30 BEEDLO C#CC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000120567039 135219310 /nfs/dbraw/zinc/21/93/10/135219310.db2.gz VYDXYOAZTYGLEA-CMPLNLGQSA-N 1 2 221.325 2.143 20 30 BEEDLO C#CC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000120567039 135219312 /nfs/dbraw/zinc/21/93/12/135219312.db2.gz VYDXYOAZTYGLEA-CMPLNLGQSA-N 1 2 221.325 2.143 20 30 BEEDLO Cc1cc(C[N@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000335340745 136063872 /nfs/dbraw/zinc/06/38/72/136063872.db2.gz LSUCQLGZODMUQG-LBPRGKRZSA-N 1 2 230.311 2.087 20 30 BEEDLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000335340745 136063873 /nfs/dbraw/zinc/06/38/73/136063873.db2.gz LSUCQLGZODMUQG-LBPRGKRZSA-N 1 2 230.311 2.087 20 30 BEEDLO C[C@@H]1CC[N@H+](CC2(C#N)CCC2)[C@H](C(N)=O)C1 ZINC000335586651 136102488 /nfs/dbraw/zinc/10/24/88/136102488.db2.gz RHVWZJVIWLTFKS-MNOVXSKESA-N 1 2 235.331 2.316 20 30 BEEDLO C[C@@H]1CC[N@@H+](CC2(C#N)CCC2)[C@H](C(N)=O)C1 ZINC000335586651 136102489 /nfs/dbraw/zinc/10/24/89/136102489.db2.gz RHVWZJVIWLTFKS-MNOVXSKESA-N 1 2 235.331 2.316 20 30 BEEDLO Cc1ccc(C[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000348699132 136116183 /nfs/dbraw/zinc/11/61/83/136116183.db2.gz AMMRJLPXWGOCKF-UHFFFAOYSA-N 1 2 233.290 2.218 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCc1ccccc1C ZINC000590746289 397910513 /nfs/dbraw/zinc/91/05/13/397910513.db2.gz JMDHIKKMLSSNEO-CQSZACIVSA-N 1 2 247.338 2.197 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCc1ccccc1C ZINC000590746289 397910516 /nfs/dbraw/zinc/91/05/16/397910516.db2.gz JMDHIKKMLSSNEO-CQSZACIVSA-N 1 2 247.338 2.197 20 30 BEEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000617040606 397922073 /nfs/dbraw/zinc/92/20/73/397922073.db2.gz WKXWNHAACNMNLO-CHWSQXEVSA-N 1 2 247.342 2.134 20 30 BEEDLO CCOc1cncc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000598669822 398035955 /nfs/dbraw/zinc/03/59/55/398035955.db2.gz FPZYYNAWGAFYBN-LLVKDONJSA-N 1 2 233.315 2.214 20 30 BEEDLO CCOc1cncc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000598669822 398035956 /nfs/dbraw/zinc/03/59/56/398035956.db2.gz FPZYYNAWGAFYBN-LLVKDONJSA-N 1 2 233.315 2.214 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cccc(F)c1O ZINC000272287983 397977396 /nfs/dbraw/zinc/97/73/96/397977396.db2.gz NUDCSYCFYFYUHY-SECBINFHSA-N 1 2 222.263 2.265 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cccc(F)c1O ZINC000272287983 397977398 /nfs/dbraw/zinc/97/73/98/397977398.db2.gz NUDCSYCFYFYUHY-SECBINFHSA-N 1 2 222.263 2.265 20 30 BEEDLO CCc1nocc1C[NH2+]CC1(C#N)CCC1 ZINC000418140029 397989344 /nfs/dbraw/zinc/98/93/44/397989344.db2.gz ILXCSLGMICAYLY-UHFFFAOYSA-N 1 2 219.288 2.020 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000334234862 398088596 /nfs/dbraw/zinc/08/85/96/398088596.db2.gz QIIFTQGAMOBUPH-CHWSQXEVSA-N 1 2 248.351 2.373 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000334234862 398088599 /nfs/dbraw/zinc/08/85/99/398088599.db2.gz QIIFTQGAMOBUPH-CHWSQXEVSA-N 1 2 248.351 2.373 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000192235793 398106784 /nfs/dbraw/zinc/10/67/84/398106784.db2.gz DQIMSWDUQGEVID-UHFFFAOYSA-N 1 2 243.285 2.076 20 30 BEEDLO C#CC[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000192235793 398106789 /nfs/dbraw/zinc/10/67/89/398106789.db2.gz DQIMSWDUQGEVID-UHFFFAOYSA-N 1 2 243.285 2.076 20 30 BEEDLO Cc1cc(N2CC(C3CCC3)C2)c(C#N)c[nH+]1 ZINC000335078598 398097986 /nfs/dbraw/zinc/09/79/86/398097986.db2.gz HCGVXYKQMPEOTM-UHFFFAOYSA-N 1 2 227.311 2.498 20 30 BEEDLO C=CCOCC[N@H+]1CCCC[C@H]1c1cc(C)[nH]n1 ZINC001648429969 1172833745 /nfs/dbraw/zinc/83/37/45/1172833745.db2.gz YZZFHOVVPDBTSC-AWEZNQCLSA-N 1 2 249.358 2.448 20 30 BEEDLO C=CCOCC[N@@H+]1CCCC[C@H]1c1cc(C)[nH]n1 ZINC001648429969 1172833747 /nfs/dbraw/zinc/83/37/47/1172833747.db2.gz YZZFHOVVPDBTSC-AWEZNQCLSA-N 1 2 249.358 2.448 20 30 BEEDLO C=CCOCC[N@H+]1CCCC[C@@H]1c1cc(C)[nH]n1 ZINC001648429970 1172834371 /nfs/dbraw/zinc/83/43/71/1172834371.db2.gz YZZFHOVVPDBTSC-CQSZACIVSA-N 1 2 249.358 2.448 20 30 BEEDLO C=CCOCC[N@@H+]1CCCC[C@@H]1c1cc(C)[nH]n1 ZINC001648429970 1172834380 /nfs/dbraw/zinc/83/43/80/1172834380.db2.gz YZZFHOVVPDBTSC-CQSZACIVSA-N 1 2 249.358 2.448 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001648446781 1172835987 /nfs/dbraw/zinc/83/59/87/1172835987.db2.gz RPHBAORPLQAYJJ-JTQLQIEISA-N 1 2 223.707 2.018 20 30 BEEDLO C=C(Cl)C[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001648446781 1172835995 /nfs/dbraw/zinc/83/59/95/1172835995.db2.gz RPHBAORPLQAYJJ-JTQLQIEISA-N 1 2 223.707 2.018 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000279317870 166110714 /nfs/dbraw/zinc/11/07/14/166110714.db2.gz RYWPRENVMYNFLT-UHFFFAOYSA-N 1 2 235.331 2.211 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000279317870 166110717 /nfs/dbraw/zinc/11/07/17/166110717.db2.gz RYWPRENVMYNFLT-UHFFFAOYSA-N 1 2 235.331 2.211 20 30 BEEDLO COCCCC[N@H+](CCC#N)Cc1ccco1 ZINC000081518077 410076838 /nfs/dbraw/zinc/07/68/38/410076838.db2.gz DMSCHMBTCODFJY-UHFFFAOYSA-N 1 2 236.315 2.422 20 30 BEEDLO COCCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000081518077 410076848 /nfs/dbraw/zinc/07/68/48/410076848.db2.gz DMSCHMBTCODFJY-UHFFFAOYSA-N 1 2 236.315 2.422 20 30 BEEDLO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000661152720 410304336 /nfs/dbraw/zinc/30/43/36/410304336.db2.gz HCADQWQFLVBWSW-NSHDSACASA-N 1 2 247.298 2.003 20 30 BEEDLO CC(=O)c1cc(C[N@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000661152720 410304342 /nfs/dbraw/zinc/30/43/42/410304342.db2.gz HCADQWQFLVBWSW-NSHDSACASA-N 1 2 247.298 2.003 20 30 BEEDLO C=CC[N@H+](Cc1ccncc1F)[C@@H](C)COC ZINC000661241392 410403251 /nfs/dbraw/zinc/40/32/51/410403251.db2.gz XIGVZIXZZOPVOG-NSHDSACASA-N 1 2 238.306 2.244 20 30 BEEDLO C=CC[N@@H+](Cc1ccncc1F)[C@@H](C)COC ZINC000661241392 410403259 /nfs/dbraw/zinc/40/32/59/410403259.db2.gz XIGVZIXZZOPVOG-NSHDSACASA-N 1 2 238.306 2.244 20 30 BEEDLO C#CCOc1ccccc1C[N@H+](C)CCF ZINC000268301615 166200551 /nfs/dbraw/zinc/20/05/51/166200551.db2.gz MSTWIZRGRRMSCU-UHFFFAOYSA-N 1 2 221.275 2.100 20 30 BEEDLO C#CCOc1ccccc1C[N@@H+](C)CCF ZINC000268301615 166200552 /nfs/dbraw/zinc/20/05/52/166200552.db2.gz MSTWIZRGRRMSCU-UHFFFAOYSA-N 1 2 221.275 2.100 20 30 BEEDLO C#C[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000274647486 166218724 /nfs/dbraw/zinc/21/87/24/166218724.db2.gz CEUHAPWGCZZSRX-VIFPVBQESA-N 1 2 215.300 2.097 20 30 BEEDLO C(#Cc1ccccc1)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000276793084 166225043 /nfs/dbraw/zinc/22/50/43/166225043.db2.gz LCPAWJSWRNLZBV-CVEARBPZSA-N 1 2 241.334 2.291 20 30 BEEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000276793084 166225047 /nfs/dbraw/zinc/22/50/47/166225047.db2.gz LCPAWJSWRNLZBV-CVEARBPZSA-N 1 2 241.334 2.291 20 30 BEEDLO C(#Cc1ccccc1)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000276793085 166225386 /nfs/dbraw/zinc/22/53/86/166225386.db2.gz LCPAWJSWRNLZBV-HOTGVXAUSA-N 1 2 241.334 2.291 20 30 BEEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000276793085 166225387 /nfs/dbraw/zinc/22/53/87/166225387.db2.gz LCPAWJSWRNLZBV-HOTGVXAUSA-N 1 2 241.334 2.291 20 30 BEEDLO C=CCC[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000338564886 166263774 /nfs/dbraw/zinc/26/37/74/166263774.db2.gz TXAFAGVHGAQKQJ-UHFFFAOYSA-N 1 2 248.301 2.050 20 30 BEEDLO C=CCC[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000338564886 166263776 /nfs/dbraw/zinc/26/37/76/166263776.db2.gz TXAFAGVHGAQKQJ-UHFFFAOYSA-N 1 2 248.301 2.050 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H]1CCC=CO1 ZINC000292697932 166339010 /nfs/dbraw/zinc/33/90/10/166339010.db2.gz CCFMULSICOTBBP-LBPRGKRZSA-N 1 2 206.289 2.081 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CCC=CO1 ZINC000292697932 166339014 /nfs/dbraw/zinc/33/90/14/166339014.db2.gz CCFMULSICOTBBP-LBPRGKRZSA-N 1 2 206.289 2.081 20 30 BEEDLO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)OC ZINC000265977990 166343740 /nfs/dbraw/zinc/34/37/40/166343740.db2.gz AHIDVJPACDMBPW-ZDUSSCGKSA-N 1 2 247.338 2.279 20 30 BEEDLO C=CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)OC ZINC000265977990 166343742 /nfs/dbraw/zinc/34/37/42/166343742.db2.gz AHIDVJPACDMBPW-ZDUSSCGKSA-N 1 2 247.338 2.279 20 30 BEEDLO C=CC[N@H+](Cc1nc(-c2ccco2)no1)C1CC1 ZINC000271462131 166348310 /nfs/dbraw/zinc/34/83/10/166348310.db2.gz PWWCBOJFJPUCNR-UHFFFAOYSA-N 1 2 245.282 2.480 20 30 BEEDLO C=CC[N@@H+](Cc1nc(-c2ccco2)no1)C1CC1 ZINC000271462131 166348313 /nfs/dbraw/zinc/34/83/13/166348313.db2.gz PWWCBOJFJPUCNR-UHFFFAOYSA-N 1 2 245.282 2.480 20 30 BEEDLO C=CC[N@@H+](Cc1nc(CC(C)C)no1)C1CC1 ZINC000271394767 166348587 /nfs/dbraw/zinc/34/85/87/166348587.db2.gz KPOBJYXSHXSDEG-UHFFFAOYSA-N 1 2 235.331 2.419 20 30 BEEDLO C=CC[N@H+](Cc1nc(CC(C)C)no1)C1CC1 ZINC000271394767 166348589 /nfs/dbraw/zinc/34/85/89/166348589.db2.gz KPOBJYXSHXSDEG-UHFFFAOYSA-N 1 2 235.331 2.419 20 30 BEEDLO C=CC[N@@H+](Cc1ncnn1C)CC1CCCCC1 ZINC000177164009 166349422 /nfs/dbraw/zinc/34/94/22/166349422.db2.gz ZPBDNWKMOJFNJL-UHFFFAOYSA-N 1 2 248.374 2.383 20 30 BEEDLO C=CC[N@H+](Cc1ncnn1C)CC1CCCCC1 ZINC000177164009 166349425 /nfs/dbraw/zinc/34/94/25/166349425.db2.gz ZPBDNWKMOJFNJL-UHFFFAOYSA-N 1 2 248.374 2.383 20 30 BEEDLO C=CC[N@@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662233298 411381379 /nfs/dbraw/zinc/38/13/79/411381379.db2.gz CYBYUVSJSMFPOA-DTWKUNHWSA-N 1 2 223.238 2.214 20 30 BEEDLO C=CC[N@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662233298 411381381 /nfs/dbraw/zinc/38/13/81/411381381.db2.gz CYBYUVSJSMFPOA-DTWKUNHWSA-N 1 2 223.238 2.214 20 30 BEEDLO Cc1ccc(NC(=O)N2CC(C)(C#N)C2)c(C)[nH+]1 ZINC000285776132 411457358 /nfs/dbraw/zinc/45/73/58/411457358.db2.gz MTYMGSSBENLMNX-UHFFFAOYSA-N 1 2 244.298 2.076 20 30 BEEDLO C=C1CC[NH+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC000659909223 411495414 /nfs/dbraw/zinc/49/54/14/411495414.db2.gz DHPZXTQVJCUYJD-SNVBAGLBSA-N 1 2 220.320 2.080 20 30 BEEDLO C=C(C)C[N@@H+](CC)[C@H](C)c1nnc(CC)[nH]1 ZINC000659829784 411466523 /nfs/dbraw/zinc/46/65/23/411466523.db2.gz VUBQWYVZLSQBMP-SNVBAGLBSA-N 1 2 222.336 2.326 20 30 BEEDLO C=C(C)C[N@H+](CC)[C@H](C)c1nnc(CC)[nH]1 ZINC000659829784 411466526 /nfs/dbraw/zinc/46/65/26/411466526.db2.gz VUBQWYVZLSQBMP-SNVBAGLBSA-N 1 2 222.336 2.326 20 30 BEEDLO C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H](C)C1=O ZINC000661539412 411798728 /nfs/dbraw/zinc/79/87/28/411798728.db2.gz RQPPJHAEKCXPIY-VXGBXAGGSA-N 1 2 242.322 2.215 20 30 BEEDLO C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@@H](C)C1=O ZINC000661545019 411799857 /nfs/dbraw/zinc/79/98/57/411799857.db2.gz OILMIESGUMILSR-VXGBXAGGSA-N 1 2 242.322 2.215 20 30 BEEDLO C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H](C)C1=O ZINC000661545473 411799881 /nfs/dbraw/zinc/79/98/81/411799881.db2.gz ZDUGLIZKDIWGDW-VXGBXAGGSA-N 1 2 242.322 2.215 20 30 BEEDLO C=CCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000664228831 411889034 /nfs/dbraw/zinc/88/90/34/411889034.db2.gz VSBUCWIPNZKAEK-UHFFFAOYSA-N 1 2 232.331 2.455 20 30 BEEDLO C=CCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000664228831 411889037 /nfs/dbraw/zinc/88/90/37/411889037.db2.gz VSBUCWIPNZKAEK-UHFFFAOYSA-N 1 2 232.331 2.455 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662372756 412128935 /nfs/dbraw/zinc/12/89/35/412128935.db2.gz XMYUIGQZYNZZKL-CMPLNLGQSA-N 1 2 231.286 2.144 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662372756 412128940 /nfs/dbraw/zinc/12/89/40/412128940.db2.gz XMYUIGQZYNZZKL-CMPLNLGQSA-N 1 2 231.286 2.144 20 30 BEEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(C)no1 ZINC000662450311 412179331 /nfs/dbraw/zinc/17/93/31/412179331.db2.gz YSHJCEUCAQSPQQ-SECBINFHSA-N 1 2 207.277 2.113 20 30 BEEDLO COc1ccccc1C[N@H+](C)C[C@@H](C)C#N ZINC000042207276 175325127 /nfs/dbraw/zinc/32/51/27/175325127.db2.gz PSECASKRRJTOGH-NSHDSACASA-N 1 2 218.300 2.287 20 30 BEEDLO COc1ccccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000042207276 175325129 /nfs/dbraw/zinc/32/51/29/175325129.db2.gz PSECASKRRJTOGH-NSHDSACASA-N 1 2 218.300 2.287 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062708881 175596793 /nfs/dbraw/zinc/59/67/93/175596793.db2.gz KIBIFWTWTDHWQX-ZETCQYMHSA-N 1 2 228.217 2.353 20 30 BEEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CCCO1 ZINC000177296840 177260285 /nfs/dbraw/zinc/26/02/85/177260285.db2.gz UGKPNCBTASGQQK-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CCCO1 ZINC000177296840 177260287 /nfs/dbraw/zinc/26/02/87/177260287.db2.gz UGKPNCBTASGQQK-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H](C)O1 ZINC000160462473 177263543 /nfs/dbraw/zinc/26/35/43/177263543.db2.gz UHNQKPOFNUKMEV-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000292388365 177335695 /nfs/dbraw/zinc/33/56/95/177335695.db2.gz KEPRVUNFRVLTAN-HZMBPMFUSA-N 1 2 248.301 2.043 20 30 BEEDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000292388365 177335697 /nfs/dbraw/zinc/33/56/97/177335697.db2.gz KEPRVUNFRVLTAN-HZMBPMFUSA-N 1 2 248.301 2.043 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2cccc(C#N)c2F)[C@@H]1C ZINC000334445033 177399055 /nfs/dbraw/zinc/39/90/55/177399055.db2.gz NTZUVHCDPOAFNH-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2cccc(C#N)c2F)[C@@H]1C ZINC000334445033 177399057 /nfs/dbraw/zinc/39/90/57/177399057.db2.gz NTZUVHCDPOAFNH-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC000156134829 177399360 /nfs/dbraw/zinc/39/93/60/177399360.db2.gz ITBVALCRUZKNOW-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC000156134829 177399361 /nfs/dbraw/zinc/39/93/61/177399361.db2.gz ITBVALCRUZKNOW-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1C#N ZINC000487896441 225329769 /nfs/dbraw/zinc/32/97/69/225329769.db2.gz KWIDTNFHOFOZAW-LLVKDONJSA-N 1 2 227.311 2.458 20 30 BEEDLO Cc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1C#N ZINC000487896441 225329774 /nfs/dbraw/zinc/32/97/74/225329774.db2.gz KWIDTNFHOFOZAW-LLVKDONJSA-N 1 2 227.311 2.458 20 30 BEEDLO C=C[C@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674985691 487663202 /nfs/dbraw/zinc/66/32/02/487663202.db2.gz OWMLDXGQLKNINP-VIFPVBQESA-N 1 2 230.271 2.030 20 30 BEEDLO CC#CCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000681000613 487691851 /nfs/dbraw/zinc/69/18/51/487691851.db2.gz XAAVZIQVDZVUDD-UHFFFAOYSA-N 1 2 241.294 2.466 20 30 BEEDLO Cc1cc(N[C@@H]2CCC[C@@H]2C)c(C#N)c[nH+]1 ZINC000399457294 267301564 /nfs/dbraw/zinc/30/15/64/267301564.db2.gz OXIUTMWUJBPWOH-JOYOIKCWSA-N 1 2 215.300 2.284 20 30 BEEDLO C=C(C)COCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000675552124 487747895 /nfs/dbraw/zinc/74/78/95/487747895.db2.gz GOYJDSIQHMDGDE-UHFFFAOYSA-N 1 2 245.326 2.245 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681355887 487783042 /nfs/dbraw/zinc/78/30/42/487783042.db2.gz AXWABKNAPFDBBO-LLVKDONJSA-N 1 2 247.342 2.110 20 30 BEEDLO CCCc1noc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595609732 487872053 /nfs/dbraw/zinc/87/20/53/487872053.db2.gz OLHMFABPVSKEKA-LLVKDONJSA-N 1 2 248.330 2.148 20 30 BEEDLO CCCc1noc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595609732 487872059 /nfs/dbraw/zinc/87/20/59/487872059.db2.gz OLHMFABPVSKEKA-LLVKDONJSA-N 1 2 248.330 2.148 20 30 BEEDLO Cc1noc([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595610764 487872966 /nfs/dbraw/zinc/87/29/66/487872966.db2.gz BVSFHXRVONTNRG-GXSJLCMTSA-N 1 2 234.303 2.065 20 30 BEEDLO Cc1noc([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595610764 487872970 /nfs/dbraw/zinc/87/29/70/487872970.db2.gz BVSFHXRVONTNRG-GXSJLCMTSA-N 1 2 234.303 2.065 20 30 BEEDLO Cc1noc([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595610766 487872868 /nfs/dbraw/zinc/87/28/68/487872868.db2.gz BVSFHXRVONTNRG-MWLCHTKSSA-N 1 2 234.303 2.065 20 30 BEEDLO Cc1noc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595610766 487872874 /nfs/dbraw/zinc/87/28/74/487872874.db2.gz BVSFHXRVONTNRG-MWLCHTKSSA-N 1 2 234.303 2.065 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000563284766 323108387 /nfs/dbraw/zinc/10/83/87/323108387.db2.gz JFNJLLNZLKTTLD-SNVBAGLBSA-N 1 2 235.331 2.363 20 30 BEEDLO CC#CCCCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000571171973 323137506 /nfs/dbraw/zinc/13/75/06/323137506.db2.gz HDSIBFDIIBQSRV-UHFFFAOYSA-N 1 2 247.342 2.263 20 30 BEEDLO CCN(C)c1ccc(C[N@H+](C)C[C@H](C)C#N)cn1 ZINC000361566467 323355873 /nfs/dbraw/zinc/35/58/73/323355873.db2.gz QOLRMMLIHWQUQR-GFCCVEGCSA-N 1 2 246.358 2.129 20 30 BEEDLO CCN(C)c1ccc(C[N@@H+](C)C[C@H](C)C#N)cn1 ZINC000361566467 323355876 /nfs/dbraw/zinc/35/58/76/323355876.db2.gz QOLRMMLIHWQUQR-GFCCVEGCSA-N 1 2 246.358 2.129 20 30 BEEDLO COCC[N@H+](CC#N)CC12CCC(CC1)C2 ZINC000459538322 324148089 /nfs/dbraw/zinc/14/80/89/324148089.db2.gz SQAMUZSDGSXWTH-UHFFFAOYSA-N 1 2 222.332 2.039 20 30 BEEDLO COCC[N@@H+](CC#N)CC12CCC(CC1)C2 ZINC000459538322 324148092 /nfs/dbraw/zinc/14/80/92/324148092.db2.gz SQAMUZSDGSXWTH-UHFFFAOYSA-N 1 2 222.332 2.039 20 30 BEEDLO CC(C)c1nnc(C[NH+]2CCC(CC#N)CC2)o1 ZINC000543812030 325115117 /nfs/dbraw/zinc/11/51/17/325115117.db2.gz ZWIHPALVTMADBW-UHFFFAOYSA-N 1 2 248.330 2.319 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccccn1 ZINC000135124371 325396036 /nfs/dbraw/zinc/39/60/36/325396036.db2.gz GVXRMGAYLJTSDL-SNVBAGLBSA-N 1 2 227.267 2.397 20 30 BEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1F ZINC000565174561 325867908 /nfs/dbraw/zinc/86/79/08/325867908.db2.gz RNFNDCODXSHVIT-SNVBAGLBSA-N 1 2 249.289 2.046 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000565987409 325981149 /nfs/dbraw/zinc/98/11/49/325981149.db2.gz FTLFFMZTLPLYDZ-UHFFFAOYSA-N 1 2 242.282 2.063 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cnc(C)cn1 ZINC000566687903 326074852 /nfs/dbraw/zinc/07/48/52/326074852.db2.gz RUUXAFJUANJISS-QWRGUYRKSA-N 1 2 218.304 2.128 20 30 BEEDLO COc1cc(C[N@H+](C)CCC#N)ccc1C ZINC000567068547 326110989 /nfs/dbraw/zinc/11/09/89/326110989.db2.gz XCGKTKBMUGUNTO-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO COc1cc(C[N@@H+](C)CCC#N)ccc1C ZINC000567068547 326110991 /nfs/dbraw/zinc/11/09/91/326110991.db2.gz XCGKTKBMUGUNTO-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO N#CCC[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000567104624 326116633 /nfs/dbraw/zinc/11/66/33/326116633.db2.gz WVRHXFRHUDDSCR-SNVBAGLBSA-N 1 2 222.675 2.277 20 30 BEEDLO C=CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000567505014 326206231 /nfs/dbraw/zinc/20/62/31/326206231.db2.gz JPTBKPHGHIHYOZ-NSHDSACASA-N 1 2 233.315 2.011 20 30 BEEDLO C[C@@H]1OCC[N@H+](Cc2ccc(C#N)cc2F)[C@H]1C ZINC000156026636 326216966 /nfs/dbraw/zinc/21/69/66/326216966.db2.gz OYJLSHKBTGDVSV-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1OCC[N@@H+](Cc2ccc(C#N)cc2F)[C@H]1C ZINC000156026636 326216968 /nfs/dbraw/zinc/21/69/68/326216968.db2.gz OYJLSHKBTGDVSV-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C=C1CC[NH+](Cc2cc(C(C)=O)no2)CC1 ZINC000567623982 326231826 /nfs/dbraw/zinc/23/18/26/326231826.db2.gz BGLQNEOYOVNJRQ-UHFFFAOYSA-N 1 2 220.272 2.029 20 30 BEEDLO Cc1[nH+]c2ccccc2n1[C@H](C(=O)NO)C(C)C ZINC000671996193 488234034 /nfs/dbraw/zinc/23/40/34/488234034.db2.gz QSFRLJHBIJXUKB-LBPRGKRZSA-N 1 2 247.298 2.047 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cncn1C(C)C ZINC000085188273 535725487 /nfs/dbraw/zinc/72/54/87/535725487.db2.gz CHDBKHWDLWQMOY-NSHDSACASA-N 1 2 220.320 2.246 20 30 BEEDLO CC[C@@H](CC#N)NCc1c[nH+]cn1C(C)C ZINC000085188273 535725494 /nfs/dbraw/zinc/72/54/94/535725494.db2.gz CHDBKHWDLWQMOY-NSHDSACASA-N 1 2 220.320 2.246 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cn2ccnc2s1 ZINC000891578722 582698904 /nfs/dbraw/zinc/69/89/04/582698904.db2.gz NZPJHEWHOZRKBQ-UHFFFAOYSA-N 1 2 234.328 2.131 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cn2ccnc2s1 ZINC000891578722 582698906 /nfs/dbraw/zinc/69/89/06/582698906.db2.gz NZPJHEWHOZRKBQ-UHFFFAOYSA-N 1 2 234.328 2.131 20 30 BEEDLO C=C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000264889590 534465832 /nfs/dbraw/zinc/46/58/32/534465832.db2.gz SVVIRPUVSZQTNZ-GFCCVEGCSA-N 1 2 203.289 2.082 20 30 BEEDLO C=C[C@@H](C)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000362589957 534482535 /nfs/dbraw/zinc/48/25/35/534482535.db2.gz BGCLLPTXFVWZDD-SNVBAGLBSA-N 1 2 243.310 2.035 20 30 BEEDLO C=CC1CC[NH+]([C@@H](C)c2csnn2)CC1 ZINC000336194557 534531959 /nfs/dbraw/zinc/53/19/59/534531959.db2.gz ORWWGSIFYNUYEQ-VIFPVBQESA-N 1 2 223.345 2.497 20 30 BEEDLO C=CCCCC(=O)NCc1c[nH+]ccc1OC ZINC000294723906 534661331 /nfs/dbraw/zinc/66/13/31/534661331.db2.gz WVOSQMODNGKHCR-UHFFFAOYSA-N 1 2 234.299 2.063 20 30 BEEDLO C=CCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353338134 534728843 /nfs/dbraw/zinc/72/88/43/534728843.db2.gz ONRSJWKRBXDFFA-UHFFFAOYSA-N 1 2 244.298 2.422 20 30 BEEDLO C=CCCC[NH2+]c1ccc2c(c1)N(C)C(=O)CO2 ZINC000174316087 534737574 /nfs/dbraw/zinc/73/75/74/534737574.db2.gz CJINISZTKRGKGO-UHFFFAOYSA-N 1 2 246.310 2.420 20 30 BEEDLO C=CC[N@@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000121531597 534817028 /nfs/dbraw/zinc/81/70/28/534817028.db2.gz FLXSYTJUSUBHBB-LBPRGKRZSA-N 1 2 242.326 2.446 20 30 BEEDLO C=CC[N@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000121531597 534817029 /nfs/dbraw/zinc/81/70/29/534817029.db2.gz FLXSYTJUSUBHBB-LBPRGKRZSA-N 1 2 242.326 2.446 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ccn(C(F)F)n1 ZINC000347713017 534829374 /nfs/dbraw/zinc/82/93/74/534829374.db2.gz ZMSTWALIIJDZEM-UHFFFAOYSA-N 1 2 227.258 2.452 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ccnn1CCCOC ZINC000282911501 534829567 /nfs/dbraw/zinc/82/95/67/534829567.db2.gz ZWTBMALFPOUXIE-UHFFFAOYSA-N 1 2 249.358 2.094 20 30 BEEDLO C#C[C@@H](NCc1[nH+]ccn1C)c1ccc(F)cc1 ZINC000491805727 527291200 /nfs/dbraw/zinc/29/12/00/527291200.db2.gz PCTXUFUBYUEJTB-CYBMUJFWSA-N 1 2 243.285 2.023 20 30 BEEDLO CC1(C)Cc2cccc(C[NH2+]CCC#N)c2O1 ZINC000080507332 534956052 /nfs/dbraw/zinc/95/60/52/534956052.db2.gz BGQYKWKKHIPMSF-UHFFFAOYSA-N 1 2 230.311 2.403 20 30 BEEDLO CCCCCCCC(=O)NCc1[nH+]ccn1C ZINC000264357404 534982063 /nfs/dbraw/zinc/98/20/63/534982063.db2.gz YCLYELBNVALFLB-UHFFFAOYSA-N 1 2 237.347 2.397 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(OC)cc(C)n1 ZINC000358286644 536055482 /nfs/dbraw/zinc/05/54/82/536055482.db2.gz KRAVKDZKRWBBNA-LLVKDONJSA-N 1 2 233.315 2.181 20 30 BEEDLO CC[C@H](CC#N)NCc1cc(OC)cc(C)[nH+]1 ZINC000358286644 536055488 /nfs/dbraw/zinc/05/54/88/536055488.db2.gz KRAVKDZKRWBBNA-LLVKDONJSA-N 1 2 233.315 2.181 20 30 BEEDLO CCc1ccc(C[N@H+](CC)CCC#N)cn1 ZINC000347653890 536172367 /nfs/dbraw/zinc/17/23/67/536172367.db2.gz PLMNREKXRXZGSC-UHFFFAOYSA-N 1 2 217.316 2.380 20 30 BEEDLO CCc1ccc(C[N@@H+](CC)CCC#N)cn1 ZINC000347653890 536172371 /nfs/dbraw/zinc/17/23/71/536172371.db2.gz PLMNREKXRXZGSC-UHFFFAOYSA-N 1 2 217.316 2.380 20 30 BEEDLO C[N@H+](Cc1cnn2ccccc12)CC(C)(C)C#N ZINC000354012301 536484907 /nfs/dbraw/zinc/48/49/07/536484907.db2.gz YPNXJXUYVBKHCA-UHFFFAOYSA-N 1 2 242.326 2.316 20 30 BEEDLO C[N@@H+](Cc1cnn2ccccc12)CC(C)(C)C#N ZINC000354012301 536484908 /nfs/dbraw/zinc/48/49/08/536484908.db2.gz YPNXJXUYVBKHCA-UHFFFAOYSA-N 1 2 242.326 2.316 20 30 BEEDLO COc1cc(C)c(C[N@H+](C)C[C@@H](C)C#N)c(C)n1 ZINC000359214599 536568712 /nfs/dbraw/zinc/56/87/12/536568712.db2.gz AVYDCAWXZCCJBK-JTQLQIEISA-N 1 2 247.342 2.299 20 30 BEEDLO COc1cc(C)c(C[N@@H+](C)C[C@@H](C)C#N)c(C)n1 ZINC000359214599 536568716 /nfs/dbraw/zinc/56/87/16/536568716.db2.gz AVYDCAWXZCCJBK-JTQLQIEISA-N 1 2 247.342 2.299 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000893605957 583172045 /nfs/dbraw/zinc/17/20/45/583172045.db2.gz LFGZMGKPHJSKTM-LBPRGKRZSA-N 1 2 232.331 2.390 20 30 BEEDLO Cc1nn(C(C)C)c(C)c1C[NH2+]CCC#N ZINC000894082224 583294357 /nfs/dbraw/zinc/29/43/57/583294357.db2.gz UPLZAAJRMIVZFN-UHFFFAOYSA-N 1 2 220.320 2.084 20 30 BEEDLO C#CC1CCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000853372821 588738699 /nfs/dbraw/zinc/73/86/99/588738699.db2.gz ZNIZUQRMUINFDX-UHFFFAOYSA-N 1 2 244.342 2.042 20 30 BEEDLO C=CC[N@@H+](C)Cn1ncc(Cl)c1C1CC1 ZINC000853507126 588746734 /nfs/dbraw/zinc/74/67/34/588746734.db2.gz LOYLMPBHYMDVMS-UHFFFAOYSA-N 1 2 225.723 2.489 20 30 BEEDLO C=CC[N@H+](C)Cn1ncc(Cl)c1C1CC1 ZINC000853507126 588746735 /nfs/dbraw/zinc/74/67/35/588746735.db2.gz LOYLMPBHYMDVMS-UHFFFAOYSA-N 1 2 225.723 2.489 20 30 BEEDLO NC(=[NH+]OCC1CC=CC1)c1ccc(F)cc1 ZINC000853645958 588752008 /nfs/dbraw/zinc/75/20/08/588752008.db2.gz JKWVAAZDLDUWBH-UHFFFAOYSA-N 1 2 234.274 2.429 20 30 BEEDLO N#CCC1(CO[NH+]=C(N)Cc2ccccc2)CC1 ZINC000853655172 588752861 /nfs/dbraw/zinc/75/28/61/588752861.db2.gz DJCLFZSAGPRVGX-UHFFFAOYSA-N 1 2 243.310 2.421 20 30 BEEDLO Cc1ccc(CON=C[C@H]2CCCO2)c(C)[nH+]1 ZINC000853752307 588761774 /nfs/dbraw/zinc/76/17/74/588761774.db2.gz TXSXSKJYGKIGRE-CYBMUJFWSA-N 1 2 234.299 2.380 20 30 BEEDLO Cc1noc(C)c1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000112559756 588802654 /nfs/dbraw/zinc/80/26/54/588802654.db2.gz FKUDKQOHHCJTBV-GFCCVEGCSA-N 1 2 246.314 2.167 20 30 BEEDLO Cc1noc(C)c1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000112559756 588802655 /nfs/dbraw/zinc/80/26/55/588802655.db2.gz FKUDKQOHHCJTBV-GFCCVEGCSA-N 1 2 246.314 2.167 20 30 BEEDLO C=CC[C@@H]1CCN1C(=O)c1ccc(C)[nH+]c1NC ZINC000890548309 582470438 /nfs/dbraw/zinc/47/04/38/582470438.db2.gz PHLRVHBOVFQZBL-LLVKDONJSA-N 1 2 245.326 2.222 20 30 BEEDLO C=CCCCN(CC)C(=O)CCn1cc[nH+]c1 ZINC000890813535 582574820 /nfs/dbraw/zinc/57/48/20/582574820.db2.gz LBKMPCRAYGNUHI-UHFFFAOYSA-N 1 2 235.331 2.088 20 30 BEEDLO C=C(C)CONC(=O)NCc1c[nH+]c(C)cc1C ZINC000845611544 582615656 /nfs/dbraw/zinc/61/56/56/582615656.db2.gz VTKFJSPOSWJLTF-UHFFFAOYSA-N 1 2 249.314 2.005 20 30 BEEDLO C=CC(C)(C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000891267119 582646327 /nfs/dbraw/zinc/64/63/27/582646327.db2.gz OOMODXAPKDDFIJ-UHFFFAOYSA-N 1 2 243.310 2.337 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2csc(C#N)c2)CCO1 ZINC000891561356 582697164 /nfs/dbraw/zinc/69/71/64/582697164.db2.gz AGIOEWXILWRSQW-LLVKDONJSA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2csc(C#N)c2)CCO1 ZINC000891561356 582697167 /nfs/dbraw/zinc/69/71/67/582697167.db2.gz AGIOEWXILWRSQW-LLVKDONJSA-N 1 2 236.340 2.231 20 30 BEEDLO CCn1cc(C[N@H+](CC)C[C@@H](C)C#N)c(C)n1 ZINC000891715241 582712001 /nfs/dbraw/zinc/71/20/01/582712001.db2.gz BKLJKIMVAOTZGB-NSHDSACASA-N 1 2 234.347 2.193 20 30 BEEDLO CCn1cc(C[N@@H+](CC)C[C@@H](C)C#N)c(C)n1 ZINC000891715241 582712002 /nfs/dbraw/zinc/71/20/02/582712002.db2.gz BKLJKIMVAOTZGB-NSHDSACASA-N 1 2 234.347 2.193 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc2c1OCC2 ZINC000891716318 582712811 /nfs/dbraw/zinc/71/28/11/582712811.db2.gz OEKLDSDIXMLPSJ-LLVKDONJSA-N 1 2 230.311 2.213 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc2c1OCC2 ZINC000891716318 582712812 /nfs/dbraw/zinc/71/28/12/582712812.db2.gz OEKLDSDIXMLPSJ-LLVKDONJSA-N 1 2 230.311 2.213 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)C[C@H]1C[C@@]1(C)Br ZINC000891933517 582739569 /nfs/dbraw/zinc/73/95/69/582739569.db2.gz IOYUGJSUCKBIIE-OPRDCNLKSA-N 1 2 245.164 2.394 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)C[C@H]1C[C@@]1(C)Br ZINC000891933517 582739572 /nfs/dbraw/zinc/73/95/72/582739572.db2.gz IOYUGJSUCKBIIE-OPRDCNLKSA-N 1 2 245.164 2.394 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)C[C@@H]1C[C@]1(C)Br ZINC000891933518 582740000 /nfs/dbraw/zinc/74/00/00/582740000.db2.gz IOYUGJSUCKBIIE-UTLUCORTSA-N 1 2 245.164 2.394 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)C[C@@H]1C[C@]1(C)Br ZINC000891933518 582740002 /nfs/dbraw/zinc/74/00/02/582740002.db2.gz IOYUGJSUCKBIIE-UTLUCORTSA-N 1 2 245.164 2.394 20 30 BEEDLO C[C@]1(C=[NH+]n2ccnn2)C[C@@H]1c1ccccc1 ZINC000841641368 582917247 /nfs/dbraw/zinc/91/72/47/582917247.db2.gz PMBYACASGSREGM-CHWSQXEVSA-N 1 2 226.283 2.306 20 30 BEEDLO C=CC[C@H](CO)CNc1cc(CC)[nH+]c(CC)n1 ZINC000893096025 583048750 /nfs/dbraw/zinc/04/87/50/583048750.db2.gz AJKSUEFKXDMNQU-NSHDSACASA-N 1 2 249.358 2.198 20 30 BEEDLO CCc1cc(NCCCC#N)nc(CC)[nH+]1 ZINC000893127030 583054083 /nfs/dbraw/zinc/05/40/83/583054083.db2.gz DKBFKQXKKVJMTG-UHFFFAOYSA-N 1 2 218.304 2.317 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000893543517 583159413 /nfs/dbraw/zinc/15/94/13/583159413.db2.gz DNAHAKOWJJJWRZ-LLVKDONJSA-N 1 2 246.358 2.327 20 30 BEEDLO C=C[C@H]1CCCCN1c1nccn2c[nH+]cc12 ZINC000893550990 583163117 /nfs/dbraw/zinc/16/31/17/583163117.db2.gz JOHGVOVHBLLNMO-NSHDSACASA-N 1 2 228.299 2.274 20 30 BEEDLO C#CC[N@H+](Cc1ccnn1C1CCC1)C1CC1 ZINC000893612144 583173893 /nfs/dbraw/zinc/17/38/93/583173893.db2.gz NWCJJLRDACKDII-UHFFFAOYSA-N 1 2 229.327 2.206 20 30 BEEDLO C#CC[N@@H+](Cc1ccnn1C1CCC1)C1CC1 ZINC000893612144 583173895 /nfs/dbraw/zinc/17/38/95/583173895.db2.gz NWCJJLRDACKDII-UHFFFAOYSA-N 1 2 229.327 2.206 20 30 BEEDLO Cc1noc2ncc(C[N@@H+](C)[C@H](C)CC#N)cc12 ZINC000894001186 583271235 /nfs/dbraw/zinc/27/12/35/583271235.db2.gz DEHXWGKBWCNVSX-SECBINFHSA-N 1 2 244.298 2.265 20 30 BEEDLO Cc1noc2ncc(C[N@H+](C)[C@H](C)CC#N)cc12 ZINC000894001186 583271237 /nfs/dbraw/zinc/27/12/37/583271237.db2.gz DEHXWGKBWCNVSX-SECBINFHSA-N 1 2 244.298 2.265 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894002660 583272407 /nfs/dbraw/zinc/27/24/07/583272407.db2.gz UTKRFIUQJGPYML-MRVPVSSYSA-N 1 2 240.253 2.404 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894002660 583272411 /nfs/dbraw/zinc/27/24/11/583272411.db2.gz UTKRFIUQJGPYML-MRVPVSSYSA-N 1 2 240.253 2.404 20 30 BEEDLO C#C[C@@H](C)[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000894384853 583443737 /nfs/dbraw/zinc/44/37/37/583443737.db2.gz XIAPAEVUWPHJJQ-ZCFIWIBFSA-N 1 2 234.246 2.273 20 30 BEEDLO Cc1cc[nH+]c(N)c1CN1CCC[C@](C)(C#N)C1 ZINC000894443032 583460136 /nfs/dbraw/zinc/46/01/36/583460136.db2.gz BIBMRUIPTPHXSS-CQSZACIVSA-N 1 2 244.342 2.098 20 30 BEEDLO Cc1ccnc(N)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000894443032 583460137 /nfs/dbraw/zinc/46/01/37/583460137.db2.gz BIBMRUIPTPHXSS-CQSZACIVSA-N 1 2 244.342 2.098 20 30 BEEDLO Cc1ccnc(N)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000894443032 583460140 /nfs/dbraw/zinc/46/01/40/583460140.db2.gz BIBMRUIPTPHXSS-CQSZACIVSA-N 1 2 244.342 2.098 20 30 BEEDLO COc1cc(C)cc(C[NH2+]C[C@H](C)C#N)c1OC ZINC000894453423 583463624 /nfs/dbraw/zinc/46/36/24/583463624.db2.gz UNAZPHFCRBDMSF-LLVKDONJSA-N 1 2 248.326 2.262 20 30 BEEDLO Cc1cc(N)nc(NCC2(C#N)CCCCC2)[nH+]1 ZINC000894582524 583488533 /nfs/dbraw/zinc/48/85/33/583488533.db2.gz XXCNQDZMNPTJFD-UHFFFAOYSA-N 1 2 245.330 2.253 20 30 BEEDLO C=CCN(CCC#N)Cc1[nH+]ccn1C1CC1 ZINC000894584958 583489204 /nfs/dbraw/zinc/48/92/04/583489204.db2.gz OCEUFAPEGLIKPZ-UHFFFAOYSA-N 1 2 230.315 2.120 20 30 BEEDLO Cc1n[nH]c(C[N@@H+](C)CC(C)(C)C#N)c1C ZINC000894857866 583533012 /nfs/dbraw/zinc/53/30/12/583533012.db2.gz SGFLJTMXWCHPRV-UHFFFAOYSA-N 1 2 220.320 2.008 20 30 BEEDLO Cc1n[nH]c(C[N@H+](C)CC(C)(C)C#N)c1C ZINC000894857866 583533013 /nfs/dbraw/zinc/53/30/13/583533013.db2.gz SGFLJTMXWCHPRV-UHFFFAOYSA-N 1 2 220.320 2.008 20 30 BEEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)[C@H]1C ZINC000894860230 583533655 /nfs/dbraw/zinc/53/36/55/583533655.db2.gz FMNYDEOEGIRFHI-IUCAKERBSA-N 1 2 235.718 2.447 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)[C@H]1C ZINC000894860230 583533656 /nfs/dbraw/zinc/53/36/56/583533656.db2.gz FMNYDEOEGIRFHI-IUCAKERBSA-N 1 2 235.718 2.447 20 30 BEEDLO N#CC1(C[NH2+][C@H]2CCc3cccnc32)CCC1 ZINC000895024387 583570250 /nfs/dbraw/zinc/57/02/50/583570250.db2.gz ABRJESLFMAAKEL-LBPRGKRZSA-N 1 2 227.311 2.352 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000895185013 583618662 /nfs/dbraw/zinc/61/86/62/583618662.db2.gz ZGTOJXQLYZRQCO-LBPRGKRZSA-N 1 2 231.343 2.378 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000895185013 583618663 /nfs/dbraw/zinc/61/86/63/583618663.db2.gz ZGTOJXQLYZRQCO-LBPRGKRZSA-N 1 2 231.343 2.378 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc3c2OCC3)C1 ZINC000895450183 583675717 /nfs/dbraw/zinc/67/57/17/583675717.db2.gz CAEIFFOHIHZGMF-OAHLLOKOSA-N 1 2 242.322 2.357 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000895450183 583675719 /nfs/dbraw/zinc/67/57/19/583675719.db2.gz CAEIFFOHIHZGMF-OAHLLOKOSA-N 1 2 242.322 2.357 20 30 BEEDLO C=C(C)C[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000883007381 583685769 /nfs/dbraw/zinc/68/57/69/583685769.db2.gz TVLACTIAVKOSFZ-NSHDSACASA-N 1 2 233.315 2.093 20 30 BEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977273 588926610 /nfs/dbraw/zinc/92/66/10/588926610.db2.gz UFCQJNUTMHKQFH-JTQLQIEISA-N 1 2 233.315 2.046 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979461 588927251 /nfs/dbraw/zinc/92/72/51/588927251.db2.gz PBIXUQXDLSJIGV-MFKMUULPSA-N 1 2 233.315 2.046 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979459 588927346 /nfs/dbraw/zinc/92/73/46/588927346.db2.gz PBIXUQXDLSJIGV-GWCFXTLKSA-N 1 2 233.315 2.046 20 30 BEEDLO C#CCCCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981369 588927848 /nfs/dbraw/zinc/92/78/48/588927848.db2.gz CIGSJOPQPQENRA-LBPRGKRZSA-N 1 2 245.326 2.028 20 30 BEEDLO C=CC(C)(C)Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000896167271 583778425 /nfs/dbraw/zinc/77/84/25/583778425.db2.gz ZYJAGGCGXYMWFZ-UHFFFAOYSA-N 1 2 246.314 2.149 20 30 BEEDLO C=C1CCC(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000896260990 583786444 /nfs/dbraw/zinc/78/64/44/583786444.db2.gz ULWDEBWOZNVOLA-UHFFFAOYSA-N 1 2 233.315 2.115 20 30 BEEDLO Cc1cc(N[C@@H]2CCS[C@H](C)C2)c(C#N)c[nH+]1 ZINC000896248524 583786496 /nfs/dbraw/zinc/78/64/96/583786496.db2.gz LFMQLLFIJFOMSO-ZYHUDNBSSA-N 1 2 247.367 2.380 20 30 BEEDLO C=CCC(C)(C)c1noc(C2([NH+](C)C)CC2)n1 ZINC000896329038 583794624 /nfs/dbraw/zinc/79/46/24/583794624.db2.gz WQMUJLUPUAFUTR-UHFFFAOYSA-N 1 2 235.331 2.474 20 30 BEEDLO Cc1coc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000896500830 583807322 /nfs/dbraw/zinc/80/73/22/583807322.db2.gz LACSWLYCBFCROY-LLVKDONJSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1coc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000896500830 583807324 /nfs/dbraw/zinc/80/73/24/583807324.db2.gz LACSWLYCBFCROY-LLVKDONJSA-N 1 2 204.273 2.324 20 30 BEEDLO C=C1CC(c2noc(C[N@@H+](CC)C3CC3)n2)C1 ZINC000896884412 583846051 /nfs/dbraw/zinc/84/60/51/583846051.db2.gz QMKVXBXQPYFAFU-UHFFFAOYSA-N 1 2 233.315 2.488 20 30 BEEDLO C=C1CC(c2noc(C[N@H+](CC)C3CC3)n2)C1 ZINC000896884412 583846054 /nfs/dbraw/zinc/84/60/54/583846054.db2.gz QMKVXBXQPYFAFU-UHFFFAOYSA-N 1 2 233.315 2.488 20 30 BEEDLO CCc1nc(NCC#C[C@H]2CCCCO2)cc[nH+]1 ZINC000897455445 583987807 /nfs/dbraw/zinc/98/78/07/583987807.db2.gz SEPXNIGHSNVUEJ-GFCCVEGCSA-N 1 2 245.326 2.023 20 30 BEEDLO CCC[C@H](C)C[N@@H+]1CCO[C@](C)(C#N)C1 ZINC000897584459 584022156 /nfs/dbraw/zinc/02/21/56/584022156.db2.gz HDTQNQQVJPRHDD-NWDGAFQWSA-N 1 2 210.321 2.037 20 30 BEEDLO CCC[C@H](C)C[N@H+]1CCO[C@](C)(C#N)C1 ZINC000897584459 584022157 /nfs/dbraw/zinc/02/21/57/584022157.db2.gz HDTQNQQVJPRHDD-NWDGAFQWSA-N 1 2 210.321 2.037 20 30 BEEDLO CCC[C@@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(=O)OC ZINC000897835499 584053346 /nfs/dbraw/zinc/05/33/46/584053346.db2.gz KQUSMZAXLTUFCC-IJLUTSLNSA-N 1 2 238.331 2.000 20 30 BEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000730094593 584123148 /nfs/dbraw/zinc/12/31/48/584123148.db2.gz JWEDKEUWHODTDA-AWEZNQCLSA-N 1 2 242.322 2.031 20 30 BEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000730094593 584123151 /nfs/dbraw/zinc/12/31/51/584123151.db2.gz JWEDKEUWHODTDA-AWEZNQCLSA-N 1 2 242.322 2.031 20 30 BEEDLO CCn1c[nH+]c(/C=C/C(=O)c2cc(C)on2)c1 ZINC000899373948 584208619 /nfs/dbraw/zinc/20/86/19/584208619.db2.gz ZXBKOGTVAGIXRZ-SNAWJCMRSA-N 1 2 231.255 2.096 20 30 BEEDLO C=C1C[NH+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000899900265 584249598 /nfs/dbraw/zinc/24/95/98/584249598.db2.gz NKHFIVSFOAVINK-CYBMUJFWSA-N 1 2 237.730 2.115 20 30 BEEDLO CCCCN(O)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000900681835 584341556 /nfs/dbraw/zinc/34/15/56/584341556.db2.gz IMKTXSIPBGYIQM-UHFFFAOYSA-N 1 2 233.271 2.194 20 30 BEEDLO CO[NH+]=Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000901167500 584394687 /nfs/dbraw/zinc/39/46/87/584394687.db2.gz NCZNJDSEECMJTO-UHFFFAOYSA-N 1 2 247.220 2.147 20 30 BEEDLO CC(=NNc1ccnn1C)c1ccc(C)[nH+]c1C ZINC000901221550 584410648 /nfs/dbraw/zinc/41/06/48/584410648.db2.gz UCQVXEMBMOKVNH-UHFFFAOYSA-N 1 2 243.314 2.268 20 30 BEEDLO CCC[C@H](C)C=[NH+]n1nnc2c1CCCC2 ZINC000901330966 584424353 /nfs/dbraw/zinc/42/43/53/584424353.db2.gz GTLOEAIUBUQRLU-JTQLQIEISA-N 1 2 220.320 2.427 20 30 BEEDLO CCC(C=[NH+]n1nnc2c1CCCC2)CC ZINC000901334418 584426200 /nfs/dbraw/zinc/42/62/00/584426200.db2.gz VEOQDQHTAAKOQS-UHFFFAOYSA-N 1 2 220.320 2.427 20 30 BEEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1cnn(C)c1 ZINC000901464080 584451232 /nfs/dbraw/zinc/45/12/32/584451232.db2.gz FNFJYHFBHLRSFP-SNAWJCMRSA-N 1 2 244.298 2.094 20 30 BEEDLO CC(C)c1c[nH]c(C=CC(=O)c2cnn(C)c2)[nH+]1 ZINC000901465723 584451561 /nfs/dbraw/zinc/45/15/61/584451561.db2.gz VTOCEOZZVJTPLH-SNAWJCMRSA-N 1 2 244.298 2.163 20 30 BEEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccn(C)n1 ZINC000901544712 584464001 /nfs/dbraw/zinc/46/40/01/584464001.db2.gz YRZBNEBTHGTZLK-PLNGDYQASA-N 1 2 244.298 2.094 20 30 BEEDLO C=C[C@H]([NH2+]CC1CCC=CCC1)C(=O)OC ZINC000901629523 584470355 /nfs/dbraw/zinc/47/03/55/584470355.db2.gz DMTAXAYPHZCGIL-LBPRGKRZSA-N 1 2 223.316 2.050 20 30 BEEDLO C=C[C@@H]([NH2+]CC1CCC=CCC1)C(=O)OC ZINC000901629522 584470472 /nfs/dbraw/zinc/47/04/72/584470472.db2.gz DMTAXAYPHZCGIL-GFCCVEGCSA-N 1 2 223.316 2.050 20 30 BEEDLO CN(C)c1ccc(CON=C2CCC2)c[nH+]1 ZINC000902263882 584545734 /nfs/dbraw/zinc/54/57/34/584545734.db2.gz QDUJTOMOAYEQMP-UHFFFAOYSA-N 1 2 219.288 2.204 20 30 BEEDLO C#CCCOC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000859058112 588995044 /nfs/dbraw/zinc/99/50/44/588995044.db2.gz PJSXIAKCBBCWEA-LLVKDONJSA-N 1 2 247.298 2.097 20 30 BEEDLO C[C@@H]([NH2+]Cc1nccs1)c1cc(C#N)ccn1 ZINC000902758900 584665848 /nfs/dbraw/zinc/66/58/48/584665848.db2.gz KWOCSSKQUVAJIA-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO CC#CCCOc1ccc2c(c1)[nH+]cn2C ZINC000902781501 584670006 /nfs/dbraw/zinc/67/00/06/584670006.db2.gz WVUFWVQQABJSEK-UHFFFAOYSA-N 1 2 214.268 2.366 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc2n(n1)CCC2 ZINC000903034682 584718890 /nfs/dbraw/zinc/71/88/90/584718890.db2.gz AQUWGSQJUHNBLS-NSHDSACASA-N 1 2 244.342 2.174 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(O)c1F ZINC000903105550 584727826 /nfs/dbraw/zinc/72/78/26/584727826.db2.gz DNVAOYJPYBWESL-VIFPVBQESA-N 1 2 234.274 2.486 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cc2n(n1)CCCC2 ZINC000903106358 584728553 /nfs/dbraw/zinc/72/85/53/584728553.db2.gz OEKYXAYIZCJKBB-NSHDSACASA-N 1 2 244.342 2.174 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc2n(n1)CCCC2 ZINC000903106357 584728687 /nfs/dbraw/zinc/72/86/87/584728687.db2.gz OEKYXAYIZCJKBB-LLVKDONJSA-N 1 2 244.342 2.174 20 30 BEEDLO N#CC1(C[NH2+][C@@H]2CCCn3ccnc32)CCCC1 ZINC000903108420 584728796 /nfs/dbraw/zinc/72/87/96/584728796.db2.gz CESHNEYGMRFHHD-GFCCVEGCSA-N 1 2 244.342 2.392 20 30 BEEDLO N#CC1(CCCCN2CC=CC[NH2+]2)CCC1 ZINC000903784059 584800272 /nfs/dbraw/zinc/80/02/72/584800272.db2.gz KEHZUDRLCQFDRT-UHFFFAOYSA-N 1 2 219.332 2.227 20 30 BEEDLO CCC[C@H](C#N)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000904060672 584839174 /nfs/dbraw/zinc/83/91/74/584839174.db2.gz SHZVZZMCMNUWGI-GFCCVEGCSA-N 1 2 245.326 2.429 20 30 BEEDLO CC(=[NH+]OC(C)C)c1cc([N+](=O)[O-])ccc1N ZINC000835002661 584917296 /nfs/dbraw/zinc/91/72/96/584917296.db2.gz RFEFUOMJVNCWCE-UHFFFAOYSA-N 1 2 237.259 2.326 20 30 BEEDLO Cc1ccc(CCC=NOC[C@H]2CCOC2)c[nH+]1 ZINC000788032767 584922651 /nfs/dbraw/zinc/92/26/51/584922651.db2.gz DCRBMMPLYGFOJV-AWEZNQCLSA-N 1 2 248.326 2.362 20 30 BEEDLO O=C1c2cccc(F)c2OC/C1=C\c1[nH]cc[nH+]1 ZINC000731158502 584923125 /nfs/dbraw/zinc/92/31/25/584923125.db2.gz BQCNLKZACBBZHQ-SOFGYWHQSA-N 1 2 244.225 2.208 20 30 BEEDLO C=CCC(CC=C)C(=O)OCCn1cc[nH+]c1 ZINC000772005968 585012089 /nfs/dbraw/zinc/01/20/89/585012089.db2.gz YKCAJWDEGYQXGR-UHFFFAOYSA-N 1 2 234.299 2.195 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](C)CCCC(C)C)C(=O)OC ZINC000839167134 585095414 /nfs/dbraw/zinc/09/54/14/585095414.db2.gz CSNPBRIGYOJHJG-STQMWFEESA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@@H]1C)C(=O)OC ZINC000839166813 585095440 /nfs/dbraw/zinc/09/54/40/585095440.db2.gz AQSWXOMSGRBABD-MJBXVCDLSA-N 1 2 249.354 2.133 20 30 BEEDLO C#CC[C@H]([NH2+]C1CCCCCCC1)C(=O)OC ZINC000839168100 585095688 /nfs/dbraw/zinc/09/56/88/585095688.db2.gz ILRSQJBMQRXOPW-ZDUSSCGKSA-N 1 2 237.343 2.254 20 30 BEEDLO C#CC[C@H]([NH2+][C@H]1CCC[C@H](CC)C1)C(=O)OC ZINC000839168306 585095872 /nfs/dbraw/zinc/09/58/72/585095872.db2.gz JNDPHHMLDPBATK-AVGNSLFASA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](C)CC1CCCC1)C(=O)OC ZINC000839169704 585096185 /nfs/dbraw/zinc/09/61/85/585096185.db2.gz UWOBUEOTBLETHT-YPMHNXCESA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)C(=O)OC ZINC000839170083 585096254 /nfs/dbraw/zinc/09/62/54/585096254.db2.gz WCTKLWFYCNQDHX-RYUDHWBXSA-N 1 2 239.359 2.356 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1cc(C)ccc1C ZINC000839186277 585096693 /nfs/dbraw/zinc/09/66/93/585096693.db2.gz FIQXPVGBTNWUFG-HNNXBMFYSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1cc(C)ccc1C ZINC000839186277 585096694 /nfs/dbraw/zinc/09/66/94/585096694.db2.gz FIQXPVGBTNWUFG-HNNXBMFYSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc(C)cc1C ZINC000839186963 585096985 /nfs/dbraw/zinc/09/69/85/585096985.db2.gz WMLNSLPEYSMKQI-OAHLLOKOSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc(C)cc1C ZINC000839186963 585096986 /nfs/dbraw/zinc/09/69/86/585096986.db2.gz WMLNSLPEYSMKQI-OAHLLOKOSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(C)c(C)c1 ZINC000839186351 585097181 /nfs/dbraw/zinc/09/71/81/585097181.db2.gz JATXLBPZBQBPCQ-HNNXBMFYSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC000839186351 585097182 /nfs/dbraw/zinc/09/71/82/585097182.db2.gz JATXLBPZBQBPCQ-HNNXBMFYSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccccc1CC ZINC000839199778 585099190 /nfs/dbraw/zinc/09/91/90/585099190.db2.gz UKRPJYARUMPICB-OAHLLOKOSA-N 1 2 229.323 2.083 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccccc1CC ZINC000839199778 585099191 /nfs/dbraw/zinc/09/91/91/585099191.db2.gz UKRPJYARUMPICB-OAHLLOKOSA-N 1 2 229.323 2.083 20 30 BEEDLO C=CCCO[NH+]=C(N)Cc1cccs1 ZINC000740872420 585107580 /nfs/dbraw/zinc/10/75/80/585107580.db2.gz UBPODPXTIXGNQN-UHFFFAOYSA-N 1 2 210.302 2.365 20 30 BEEDLO C=C(Cl)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000741147918 585110267 /nfs/dbraw/zinc/11/02/67/585110267.db2.gz DYKOEOXWBWCFAS-SNVBAGLBSA-N 1 2 231.723 2.157 20 30 BEEDLO C=C(Cl)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000741147918 585110268 /nfs/dbraw/zinc/11/02/68/585110268.db2.gz DYKOEOXWBWCFAS-SNVBAGLBSA-N 1 2 231.723 2.157 20 30 BEEDLO CON=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000741458527 585113955 /nfs/dbraw/zinc/11/39/55/585113955.db2.gz NPMNBDHCWNKADM-UHFFFAOYSA-N 1 2 247.342 2.355 20 30 BEEDLO O=C1c2ccccc2O/C1=C/c1[nH]cc[nH+]1 ZINC000742437130 585126314 /nfs/dbraw/zinc/12/63/14/585126314.db2.gz QZQBODBQVSASHP-JXMROGBWSA-N 1 2 212.208 2.026 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cc(F)ccc1OC ZINC000743852276 585140661 /nfs/dbraw/zinc/14/06/61/585140661.db2.gz JJONRTVMSNVQJX-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cc(F)ccc1OC ZINC000743852276 585140662 /nfs/dbraw/zinc/14/06/62/585140662.db2.gz JJONRTVMSNVQJX-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C=C(C)CCOC(=O)Cc1cn2ccccc2[nH+]1 ZINC000744303889 585147807 /nfs/dbraw/zinc/14/78/07/585147807.db2.gz CXGPKYHVQVOCPZ-UHFFFAOYSA-N 1 2 244.294 2.386 20 30 BEEDLO C=CC[N@H+](Cc1nnc2n1CCCC2)C(C)C ZINC000750517518 585216598 /nfs/dbraw/zinc/21/65/98/585216598.db2.gz JOIIJRAKXVEUEQ-UHFFFAOYSA-N 1 2 234.347 2.011 20 30 BEEDLO C=CC[N@@H+](Cc1nnc2n1CCCC2)C(C)C ZINC000750517518 585216599 /nfs/dbraw/zinc/21/65/99/585216599.db2.gz JOIIJRAKXVEUEQ-UHFFFAOYSA-N 1 2 234.347 2.011 20 30 BEEDLO C#Cc1cccc(N(C)Cc2c[nH+]cn2C)c1 ZINC000751471385 585231080 /nfs/dbraw/zinc/23/10/80/585231080.db2.gz JLZAZCBHWUSNCX-UHFFFAOYSA-N 1 2 225.295 2.038 20 30 BEEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1cnccn1 ZINC000752723684 585249038 /nfs/dbraw/zinc/24/90/38/585249038.db2.gz MBFGSLYVJLGGHC-UHFFFAOYSA-N 1 2 241.298 2.122 20 30 BEEDLO CC(C)C(N=NC1=[NH+][C@H]2CCCC[C@@H]2N1)C1CC1 ZINC000753934712 585272541 /nfs/dbraw/zinc/27/25/41/585272541.db2.gz JWWNYFLTFFEAST-RYUDHWBXSA-N 1 2 248.374 2.268 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNc1ccc(C#N)cc1 ZINC000755652085 585303400 /nfs/dbraw/zinc/30/34/00/585303400.db2.gz PYNQEJKCEHVMBA-UHFFFAOYSA-N 1 2 225.255 2.036 20 30 BEEDLO Cn1c[nH+]cc1C=NNc1cccc(F)c1F ZINC000755750992 585305674 /nfs/dbraw/zinc/30/56/74/585305674.db2.gz SROADEHQIYAALD-UHFFFAOYSA-N 1 2 236.225 2.144 20 30 BEEDLO Cc1[nH]c[nH+]c1CN=Nc1cccc(F)c1F ZINC000755751250 585305774 /nfs/dbraw/zinc/30/57/74/585305774.db2.gz UPCFCKABXSRJLE-UHFFFAOYSA-N 1 2 236.225 2.442 20 30 BEEDLO C#CC[NH2+]C1(C(=O)OC(C)(C)C)CCCCC1 ZINC000759250308 585366324 /nfs/dbraw/zinc/36/63/24/585366324.db2.gz ROFGHQKSPBNXHH-UHFFFAOYSA-N 1 2 237.343 2.254 20 30 BEEDLO C[C@H](C[C@H]1CCOC1)/[NH+]=C\c1cccc(O)c1O ZINC000759645097 585377732 /nfs/dbraw/zinc/37/77/32/585377732.db2.gz XQUWAIINGRJZTE-UFCGYKGRSA-N 1 2 249.310 2.332 20 30 BEEDLO CCOC(=O)C[C@H](C)/[NH+]=C\c1ccccc1O ZINC000760212124 585386667 /nfs/dbraw/zinc/38/66/67/585386667.db2.gz IFPURLVLAPHRHX-ADVUTCEVSA-N 1 2 235.283 2.153 20 30 BEEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054813 585404668 /nfs/dbraw/zinc/40/46/68/585404668.db2.gz JQRCDYGOOYCCKG-ZJUUUORDSA-N 1 2 245.248 2.314 20 30 BEEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761054813 585404669 /nfs/dbraw/zinc/40/46/69/585404669.db2.gz JQRCDYGOOYCCKG-ZJUUUORDSA-N 1 2 245.248 2.314 20 30 BEEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054804 585404723 /nfs/dbraw/zinc/40/47/23/585404723.db2.gz JQRCDYGOOYCCKG-NXEZZACHSA-N 1 2 245.248 2.314 20 30 BEEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761054804 585404724 /nfs/dbraw/zinc/40/47/24/585404724.db2.gz JQRCDYGOOYCCKG-NXEZZACHSA-N 1 2 245.248 2.314 20 30 BEEDLO C=CCCCCCCNC(=O)Cc1c[nH+]cn1C ZINC000805220188 585412212 /nfs/dbraw/zinc/41/22/12/585412212.db2.gz HAODXQNKUWZJFY-UHFFFAOYSA-N 1 2 249.358 2.215 20 30 BEEDLO Cc1ccc(F)cc1C=NNc1[nH+]ccn1C ZINC000790306324 585417651 /nfs/dbraw/zinc/41/76/51/585417651.db2.gz XWGSMZCKYXVVPU-UHFFFAOYSA-N 1 2 232.262 2.314 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(C)n1CCC)C(C)C ZINC000764203455 585461484 /nfs/dbraw/zinc/46/14/84/585461484.db2.gz LUUGBWPLXKDRAM-UHFFFAOYSA-N 1 2 236.363 2.393 20 30 BEEDLO C=CC[N@H+](Cc1nnc(C)n1CCC)C(C)C ZINC000764203455 585461485 /nfs/dbraw/zinc/46/14/85/585461485.db2.gz LUUGBWPLXKDRAM-UHFFFAOYSA-N 1 2 236.363 2.393 20 30 BEEDLO CC(C)(C)c1ccc(C#N)c(-n2cc[nH+]c2)n1 ZINC000767160599 585515046 /nfs/dbraw/zinc/51/50/46/585515046.db2.gz XSEXZEUYVLDGJD-UHFFFAOYSA-N 1 2 226.283 2.436 20 30 BEEDLO C=CCN(C(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000767894269 585527253 /nfs/dbraw/zinc/52/72/53/585527253.db2.gz MQDLFCGMPLSNDN-UHFFFAOYSA-N 1 2 233.315 2.240 20 30 BEEDLO C=CCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC000770083737 585570669 /nfs/dbraw/zinc/57/06/69/585570669.db2.gz YWTJERRGINBAFR-UHFFFAOYSA-N 1 2 243.310 2.420 20 30 BEEDLO CCCCNN=Cc1cccc2[nH+]ccn21 ZINC000771096284 585590351 /nfs/dbraw/zinc/59/03/51/585590351.db2.gz DSNCZJLGPOLNQD-UHFFFAOYSA-N 1 2 216.288 2.058 20 30 BEEDLO C#C[C@H](Nc1cc[nH+]c(C(C)C)n1)[C@H]1CCCO1 ZINC000772252713 585611003 /nfs/dbraw/zinc/61/10/03/585611003.db2.gz BZOXWNOJAPWZOG-NWDGAFQWSA-N 1 2 245.326 2.193 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cccc(Cl)c1O ZINC000775184053 585673198 /nfs/dbraw/zinc/67/31/98/585673198.db2.gz UJEOPLGVPJSARZ-VIFPVBQESA-N 1 2 223.703 2.499 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000775184053 585673199 /nfs/dbraw/zinc/67/31/99/585673199.db2.gz UJEOPLGVPJSARZ-VIFPVBQESA-N 1 2 223.703 2.499 20 30 BEEDLO C#CC[C@@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000776252595 585693845 /nfs/dbraw/zinc/69/38/45/585693845.db2.gz MXUKFDJSVVGYLA-CYBMUJFWSA-N 1 2 243.335 2.392 20 30 BEEDLO C=C(C)C[N@H+](C)CN1CC2(CCCC2)OC1=O ZINC000778578404 585737684 /nfs/dbraw/zinc/73/76/84/585737684.db2.gz XXFLEAONMXGGFP-UHFFFAOYSA-N 1 2 238.331 2.217 20 30 BEEDLO C=C(C)C[N@@H+](C)CN1CC2(CCCC2)OC1=O ZINC000778578404 585737685 /nfs/dbraw/zinc/73/76/85/585737685.db2.gz XXFLEAONMXGGFP-UHFFFAOYSA-N 1 2 238.331 2.217 20 30 BEEDLO C=CC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000780318820 585777753 /nfs/dbraw/zinc/77/77/53/585777753.db2.gz OZOOSYVTZBQIEE-TZMCWYRMSA-N 1 2 247.338 2.325 20 30 BEEDLO COc1cccc(/C=[NH+]\CC[C@H]2CCOC2)c1O ZINC000783684378 585839826 /nfs/dbraw/zinc/83/98/26/585839826.db2.gz FLMHWQQYAJXEPQ-GPILYODUSA-N 1 2 249.310 2.246 20 30 BEEDLO COc1cccc(/C=[NH+]/CC[C@@H]2CCOC2)c1O ZINC000783684371 585839931 /nfs/dbraw/zinc/83/99/31/585839931.db2.gz FLMHWQQYAJXEPQ-BTAWCLGRSA-N 1 2 249.310 2.246 20 30 BEEDLO C#CCCCCC(=O)OCCCn1cc[nH+]c1 ZINC000784522265 585862284 /nfs/dbraw/zinc/86/22/84/585862284.db2.gz LOIPCFSGRGPQQY-UHFFFAOYSA-N 1 2 234.299 2.010 20 30 BEEDLO CC1(C)CCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000789033972 585933752 /nfs/dbraw/zinc/93/37/52/585933752.db2.gz LVOMXTZXKUDHBM-NXEZZACHSA-N 1 2 234.347 2.022 20 30 BEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccoc2)n1 ZINC000789762270 585949348 /nfs/dbraw/zinc/94/93/48/585949348.db2.gz UVXVAYKWGBDIRM-UHFFFAOYSA-N 1 2 243.310 2.131 20 30 BEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccoc2)n1 ZINC000789762270 585949349 /nfs/dbraw/zinc/94/93/49/585949349.db2.gz UVXVAYKWGBDIRM-UHFFFAOYSA-N 1 2 243.310 2.131 20 30 BEEDLO CC[C@@H](C)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000790189484 585960607 /nfs/dbraw/zinc/96/06/07/585960607.db2.gz OAENFUBTVQVDLM-GFCCVEGCSA-N 1 2 246.358 2.426 20 30 BEEDLO CCn1cc[nH+]c1CN=Nc1ncccc1C ZINC000790191512 585960795 /nfs/dbraw/zinc/96/07/95/585960795.db2.gz VRSLFHIJDMMUMM-UHFFFAOYSA-N 1 2 229.287 2.052 20 30 BEEDLO Cc1ccc(C)c(C=[NH+][N-]c2[nH+]ccn2C)c1 ZINC000790299606 585962779 /nfs/dbraw/zinc/96/27/79/585962779.db2.gz GAYQAIJCYDNSIO-UHFFFAOYSA-N 1 2 228.299 2.483 20 30 BEEDLO CCOc1cccc(C=NNc2[nH+]ccn2C)c1 ZINC000790299396 585962781 /nfs/dbraw/zinc/96/27/81/585962781.db2.gz DPCFZAWSPAPJPP-UHFFFAOYSA-N 1 2 244.298 2.265 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1cc(F)ccc1F ZINC000790303076 585962940 /nfs/dbraw/zinc/96/29/40/585962940.db2.gz QHSOXHVDQZZUPV-UHFFFAOYSA-N 1 2 236.225 2.144 20 30 BEEDLO Cc1cc(C=NNc2[nH+]ccn2C)ccc1F ZINC000790302335 585962992 /nfs/dbraw/zinc/96/29/92/585962992.db2.gz MLZBUWMQRXFJDC-UHFFFAOYSA-N 1 2 232.262 2.314 20 30 BEEDLO CCc1ccc(C=NNc2[nH+]ccn2C)s1 ZINC000790301797 585963001 /nfs/dbraw/zinc/96/30/01/585963001.db2.gz IOPXDGYIJZULLW-UHFFFAOYSA-N 1 2 234.328 2.490 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1ccccc1F ZINC000790302725 585963138 /nfs/dbraw/zinc/96/31/38/585963138.db2.gz XWFIATQDUDEUEP-UHFFFAOYSA-N 1 2 232.262 2.395 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1cc(F)cc(F)c1 ZINC000790302365 585963192 /nfs/dbraw/zinc/96/31/92/585963192.db2.gz QYFXYYOMTDICFJ-UHFFFAOYSA-N 1 2 236.225 2.144 20 30 BEEDLO COc1ccc(C=NNc2[nH+]ccn2C)cc1F ZINC000790305655 585963385 /nfs/dbraw/zinc/96/33/85/585963385.db2.gz LVQHNIURYUHLRV-UHFFFAOYSA-N 1 2 248.261 2.014 20 30 BEEDLO Oc1ccccc1/C=[NH+]\CCC1(O)CCC1 ZINC000790576416 585966473 /nfs/dbraw/zinc/96/64/73/585966473.db2.gz ZKCMTVWRKGFZKX-UVTDQMKNSA-N 1 2 219.284 2.116 20 30 BEEDLO CSCCON=Cc1c[nH+]c2ccc(C)cn12 ZINC000794576144 586044766 /nfs/dbraw/zinc/04/47/66/586044766.db2.gz FCIUGGFVIOLUCA-UHFFFAOYSA-N 1 2 249.339 2.356 20 30 BEEDLO C=CCN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000794993136 586062676 /nfs/dbraw/zinc/06/26/76/586062676.db2.gz PQUNTPCNMCMQPS-UHFFFAOYSA-N 1 2 233.315 2.379 20 30 BEEDLO C=CCC[N@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000796089574 586097302 /nfs/dbraw/zinc/09/73/02/586097302.db2.gz UPYFUXJZTTVRAT-UHFFFAOYSA-N 1 2 244.338 2.220 20 30 BEEDLO C=CCC[N@@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000796089574 586097303 /nfs/dbraw/zinc/09/73/03/586097303.db2.gz UPYFUXJZTTVRAT-UHFFFAOYSA-N 1 2 244.338 2.220 20 30 BEEDLO C#CCOc1ccccc1C[NH2+]CC1(C#N)CC1 ZINC000797605341 586129381 /nfs/dbraw/zinc/12/93/81/586129381.db2.gz NORFGDILUUZBGK-UHFFFAOYSA-N 1 2 240.306 2.092 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccc(F)cc2)c1 ZINC000798232266 586141164 /nfs/dbraw/zinc/14/11/64/586141164.db2.gz PUPZEIJCDXITSK-VOTSOKGWSA-N 1 2 230.242 2.455 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2cccc(C#N)c2)c1 ZINC000798230625 586141353 /nfs/dbraw/zinc/14/13/53/586141353.db2.gz CLHODMVXSSRQDE-AATRIKPKSA-N 1 2 237.262 2.188 20 30 BEEDLO N#C[C@H]1CC[C@H]([NH2+]c2ccc(OCCO)cc2)C1 ZINC000799724270 586194966 /nfs/dbraw/zinc/19/49/66/586194966.db2.gz JQXFAMDHHZOEQC-AAEUAGOBSA-N 1 2 246.310 2.162 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000799734888 586195284 /nfs/dbraw/zinc/19/52/84/586195284.db2.gz QSSNRFLPNIPRGP-UHFFFAOYSA-N 1 2 246.236 2.068 20 30 BEEDLO C[N@H+](Cc1ccnc(F)c1)CC(C)(C)C#N ZINC000859316088 589030351 /nfs/dbraw/zinc/03/03/51/589030351.db2.gz WGMYRADCNWOOBW-UHFFFAOYSA-N 1 2 221.279 2.202 20 30 BEEDLO C[N@@H+](Cc1ccnc(F)c1)CC(C)(C)C#N ZINC000859316088 589030353 /nfs/dbraw/zinc/03/03/53/589030353.db2.gz WGMYRADCNWOOBW-UHFFFAOYSA-N 1 2 221.279 2.202 20 30 BEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(CC(C)C)CC1 ZINC000800353043 586213193 /nfs/dbraw/zinc/21/31/93/586213193.db2.gz OBXRNACWCACJRY-ZDUSSCGKSA-N 1 2 239.359 2.472 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000800349923 586213461 /nfs/dbraw/zinc/21/34/61/586213461.db2.gz XVBZVMXSYAJEPP-UONOGXRCSA-N 1 2 245.322 2.031 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000800349923 586213463 /nfs/dbraw/zinc/21/34/63/586213463.db2.gz XVBZVMXSYAJEPP-UONOGXRCSA-N 1 2 245.322 2.031 20 30 BEEDLO Cc1ccc(C(=O)/C=C\c2cn(C)c[nH+]2)c(O)c1 ZINC000800794795 586228654 /nfs/dbraw/zinc/22/86/54/586228654.db2.gz QGZNMPLWCPWRNM-XQRVVYSFSA-N 1 2 242.278 2.330 20 30 BEEDLO Cn1c[nH+]c(/C=C2\Oc3ccc(F)cc3C2=O)c1 ZINC000800793688 586229130 /nfs/dbraw/zinc/22/91/30/586229130.db2.gz ODJWWKWOTUCTPQ-XGICHPGQSA-N 1 2 244.225 2.175 20 30 BEEDLO CCc1ccc(C(=O)/C=C\c2cn(C)c[nH+]2)o1 ZINC000800794933 586229479 /nfs/dbraw/zinc/22/94/79/586229479.db2.gz UXMDVNLPWWAHQS-XQRVVYSFSA-N 1 2 230.267 2.472 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccccc2O)c1 ZINC000800794329 586229583 /nfs/dbraw/zinc/22/95/83/586229583.db2.gz CFSODXGZUZMHLG-VOTSOKGWSA-N 1 2 228.251 2.022 20 30 BEEDLO C[C@@H](C#N)OCC[N@H+](CC(F)F)CC1CCC1 ZINC000801935561 586279999 /nfs/dbraw/zinc/27/99/99/586279999.db2.gz HJHPCCZQRYOMOC-JTQLQIEISA-N 1 2 246.301 2.282 20 30 BEEDLO C[C@@H](C#N)OCC[N@@H+](CC(F)F)CC1CCC1 ZINC000801935561 586280002 /nfs/dbraw/zinc/28/00/02/586280002.db2.gz HJHPCCZQRYOMOC-JTQLQIEISA-N 1 2 246.301 2.282 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802234807 586298231 /nfs/dbraw/zinc/29/82/31/586298231.db2.gz HUNGYADMPFVYGA-VXGBXAGGSA-N 1 2 243.322 2.176 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802234807 586298233 /nfs/dbraw/zinc/29/82/33/586298233.db2.gz HUNGYADMPFVYGA-VXGBXAGGSA-N 1 2 243.322 2.176 20 30 BEEDLO C#CCCCNc1cc(NCCCC)[nH+]c(N)n1 ZINC000804515560 586397953 /nfs/dbraw/zinc/39/79/53/586397953.db2.gz DVVSRYBJAYHDTD-UHFFFAOYSA-N 1 2 247.346 2.096 20 30 BEEDLO C#CCCCNc1cc(NCCCC)nc(N)[nH+]1 ZINC000804515560 586397955 /nfs/dbraw/zinc/39/79/55/586397955.db2.gz DVVSRYBJAYHDTD-UHFFFAOYSA-N 1 2 247.346 2.096 20 30 BEEDLO Cc1cc[nH+]cc1CCCN1CC[C@@](F)(C#N)C1 ZINC000809650705 586510635 /nfs/dbraw/zinc/51/06/35/586510635.db2.gz JYJUMUAJBVCTNT-CQSZACIVSA-N 1 2 247.317 2.260 20 30 BEEDLO C#C[C@H]([NH2+]Cc1[nH]ncc1C)c1ccc(F)cc1 ZINC000812794273 586585757 /nfs/dbraw/zinc/58/57/57/586585757.db2.gz XKQOUWVKZOLZFO-ZDUSSCGKSA-N 1 2 243.285 2.321 20 30 BEEDLO C#C[C@H]([NH2+]Cc1n[nH]cc1C)c1ccc(F)cc1 ZINC000812794273 586585758 /nfs/dbraw/zinc/58/57/58/586585758.db2.gz XKQOUWVKZOLZFO-ZDUSSCGKSA-N 1 2 243.285 2.321 20 30 BEEDLO C[C@H](C#N)Oc1ccc(C[NH2+]CC(F)F)cc1 ZINC000813331309 586600407 /nfs/dbraw/zinc/60/04/07/586600407.db2.gz IQBDRVDKBWMREV-SECBINFHSA-N 1 2 240.253 2.332 20 30 BEEDLO Cc1ccc(F)c(N[NH+]=Cc2cn(C)[nH]c2=O)c1 ZINC000814223137 586618189 /nfs/dbraw/zinc/61/81/89/586618189.db2.gz BONMUHXEHIVQOW-UHFFFAOYSA-N 1 2 248.261 2.019 20 30 BEEDLO CC(=[NH+]NCC(F)F)c1cc(F)c(N)c(F)c1 ZINC000814853627 586639476 /nfs/dbraw/zinc/63/94/76/586639476.db2.gz RLCRURFMEPKTKZ-UHFFFAOYSA-N 1 2 249.211 2.126 20 30 BEEDLO Fc1ccc(N=NCc2[nH]cc[nH+]2)c(F)c1F ZINC000814945707 586657729 /nfs/dbraw/zinc/65/77/29/586657729.db2.gz MMBKWNPJQSXFII-UHFFFAOYSA-N 1 2 240.188 2.273 20 30 BEEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](C)CCCCC ZINC000815281867 586676856 /nfs/dbraw/zinc/67/68/56/586676856.db2.gz JVYLXLAKMVWFIT-CYBMUJFWSA-N 1 2 238.375 2.027 20 30 BEEDLO CC#CC[N@H+](C)CC(=O)N[C@H](C)CCCCC ZINC000815281867 586676857 /nfs/dbraw/zinc/67/68/57/586676857.db2.gz JVYLXLAKMVWFIT-CYBMUJFWSA-N 1 2 238.375 2.027 20 30 BEEDLO CCCNN=C1CCc2ccc[nH+]c2CC1 ZINC000817323844 586793815 /nfs/dbraw/zinc/79/38/15/586793815.db2.gz WXEVEWUNBRRSTM-UHFFFAOYSA-N 1 2 217.316 2.316 20 30 BEEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccns1 ZINC000860051431 589077287 /nfs/dbraw/zinc/07/72/87/589077287.db2.gz NOHPTWJUMZFAEF-ZJUUUORDSA-N 1 2 234.328 2.237 20 30 BEEDLO Cc1cc(NCCC#N)ccc1[NH+](C)C ZINC000819408090 586961955 /nfs/dbraw/zinc/96/19/55/586961955.db2.gz KLLRNJOAAWLMNY-UHFFFAOYSA-N 1 2 203.289 2.387 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccns1 ZINC000860061428 589077986 /nfs/dbraw/zinc/07/79/86/589077986.db2.gz KGVXFJXSHIVIFO-VIFPVBQESA-N 1 2 221.329 2.488 20 30 BEEDLO C=C(C)C(C)(C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819783103 586994883 /nfs/dbraw/zinc/99/48/83/586994883.db2.gz GCXSFODDHBRYCY-QMMMGPOBSA-N 1 2 226.345 2.196 20 30 BEEDLO Cc1[nH]c2ccc(NC(=O)C#CC(C)C)cc2[nH+]1 ZINC000820180754 587032928 /nfs/dbraw/zinc/03/29/28/587032928.db2.gz AQXRWBVDMIIKRB-UHFFFAOYSA-N 1 2 241.294 2.469 20 30 BEEDLO C=CCC(C)(C)CNC(=O)/C=C\c1cn(C)c[nH+]1 ZINC000820501033 587051552 /nfs/dbraw/zinc/05/15/52/587051552.db2.gz MEYXVXLSTRDHQM-SREVYHEPSA-N 1 2 247.342 2.152 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1N[C@H](C)CCO ZINC000820664639 587064282 /nfs/dbraw/zinc/06/42/82/587064282.db2.gz PKDLSKQATJBGLB-GFCCVEGCSA-N 1 2 248.326 2.057 20 30 BEEDLO C=C(C)C(C)(C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000820889773 587079911 /nfs/dbraw/zinc/07/99/11/587079911.db2.gz MLHMWIQTEWNLNI-LLVKDONJSA-N 1 2 243.322 2.176 20 30 BEEDLO C=C(C)C(C)(C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000820889773 587079912 /nfs/dbraw/zinc/07/99/12/587079912.db2.gz MLHMWIQTEWNLNI-LLVKDONJSA-N 1 2 243.322 2.176 20 30 BEEDLO C=C[C@@H](CC)CC(=O)NCc1[nH+]ccn1CC ZINC000821240064 587103425 /nfs/dbraw/zinc/10/34/25/587103425.db2.gz YXFPLHWTLYUFQD-NSHDSACASA-N 1 2 235.331 2.122 20 30 BEEDLO C=C[C@H](CC)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000821758360 587136988 /nfs/dbraw/zinc/13/69/88/587136988.db2.gz NZEPHTVGWPCNMW-SNVBAGLBSA-N 1 2 235.331 2.363 20 30 BEEDLO C=C[C@@H](CC)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000821758359 587137026 /nfs/dbraw/zinc/13/70/26/587137026.db2.gz NZEPHTVGWPCNMW-JTQLQIEISA-N 1 2 235.331 2.363 20 30 BEEDLO N#CCC1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000826991019 587367422 /nfs/dbraw/zinc/36/74/22/587367422.db2.gz RWDGTMINKZWIFR-UHFFFAOYSA-N 1 2 221.691 2.080 20 30 BEEDLO C=CC(C)(C)CCNC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000826997715 587367580 /nfs/dbraw/zinc/36/75/80/587367580.db2.gz MWJAZVXCUDJZIB-VOTSOKGWSA-N 1 2 247.342 2.152 20 30 BEEDLO Cc1nsc(N[C@@H]2CCn3cc[nH+]c32)c1C#N ZINC000828358256 587438184 /nfs/dbraw/zinc/43/81/84/587438184.db2.gz QGTWEKDJPABVPI-SECBINFHSA-N 1 2 245.311 2.077 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833278164 587704007 /nfs/dbraw/zinc/70/40/07/587704007.db2.gz OOOXGQPXSTWEAO-MFKMUULPSA-N 1 2 233.315 2.046 20 30 BEEDLO C=CCC(CC=C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833283569 587704744 /nfs/dbraw/zinc/70/47/44/587704744.db2.gz DCKVYDJNBJJLMX-LBPRGKRZSA-N 1 2 245.326 2.213 20 30 BEEDLO COc1ncc(C[NH2+][C@@H](C)CC#N)cc1Cl ZINC000836229626 587829121 /nfs/dbraw/zinc/82/91/21/587829121.db2.gz FVTDDEYJVZKFIW-QMMMGPOBSA-N 1 2 239.706 2.135 20 30 BEEDLO C#CCC(C)(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000837104817 587854380 /nfs/dbraw/zinc/85/43/80/587854380.db2.gz LRCDGQCNYVZICL-UHFFFAOYSA-N 1 2 244.338 2.364 20 30 BEEDLO Cc1cc(C)c(CNC(=O)C#CC(C)(C)C)c[nH+]1 ZINC000837692603 587891395 /nfs/dbraw/zinc/89/13/95/587891395.db2.gz RBOJVCIHQZLLRU-UHFFFAOYSA-N 1 2 244.338 2.364 20 30 BEEDLO C=CC(C)(C)C(=O)OCCCn1cc[nH+]c1 ZINC000837865348 587900153 /nfs/dbraw/zinc/90/01/53/587900153.db2.gz ZVQYXAASTQTLLT-UHFFFAOYSA-N 1 2 222.288 2.029 20 30 BEEDLO COC1(CC/[NH+]=C/c2cccc(O)c2O)CCC1 ZINC000840705998 587917130 /nfs/dbraw/zinc/91/71/30/587917130.db2.gz JWQGJHZVHNADFI-XNTDXEJSSA-N 1 2 249.310 2.476 20 30 BEEDLO CC(C)(CC#N)C/[NH+]=C/c1cccc(O)c1O ZINC000840712195 587917378 /nfs/dbraw/zinc/91/73/78/587917378.db2.gz XDRXJKLXALBWHQ-OVCLIPMQSA-N 1 2 232.283 2.457 20 30 BEEDLO C=CC(C)(C)C/[NH+]=C\c1c(O)c(C)ncc1CO ZINC000840711270 587917544 /nfs/dbraw/zinc/91/75/44/587917544.db2.gz XOEFWHRRZSZMAV-CHHVJCJISA-N 1 2 248.326 2.219 20 30 BEEDLO C#CC[NH+](CC#C)Cc1c(O)cc(C)cc1Cl ZINC000840917804 587929518 /nfs/dbraw/zinc/92/95/18/587929518.db2.gz NCOHIXWTHKFTKY-UHFFFAOYSA-N 1 2 247.725 2.422 20 30 BEEDLO CC([NH2+]Nc1oc(C)nc1C#N)=C1CC1(F)F ZINC000841619618 587960560 /nfs/dbraw/zinc/96/05/60/587960560.db2.gz PWGQUDZNHZWISD-ZETCQYMHSA-N 1 2 240.213 2.298 20 30 BEEDLO C=CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC000844323767 588184976 /nfs/dbraw/zinc/18/49/76/588184976.db2.gz PTLFNSRZBSQPBO-GFCCVEGCSA-N 1 2 235.331 2.257 20 30 BEEDLO C=C[C@@H](C)O[NH+]=C(C)c1cc([N+](=O)[O-])ccc1N ZINC000844619601 588209154 /nfs/dbraw/zinc/20/91/54/588209154.db2.gz BOKZYXRCKUFNQF-MRVPVSSYSA-N 1 2 249.270 2.492 20 30 BEEDLO C=CC[N@H+](CN1C(=O)CC12CCCC2)C1CC1 ZINC000844698405 588214173 /nfs/dbraw/zinc/21/41/73/588214173.db2.gz OEDPRBBOUKVXEQ-UHFFFAOYSA-N 1 2 234.343 2.139 20 30 BEEDLO C=CC[N@@H+](CN1C(=O)CC12CCCC2)C1CC1 ZINC000844698405 588214174 /nfs/dbraw/zinc/21/41/74/588214174.db2.gz OEDPRBBOUKVXEQ-UHFFFAOYSA-N 1 2 234.343 2.139 20 30 BEEDLO C#CC[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC000845480369 588230284 /nfs/dbraw/zinc/23/02/84/588230284.db2.gz AHJAPISAHUYSOF-OLZOCXBDSA-N 1 2 248.326 2.425 20 30 BEEDLO C[C@@H](CC(=O)O[C@H](C#N)C(C)(C)C)n1cc[nH+]c1 ZINC000845512463 588231386 /nfs/dbraw/zinc/23/13/86/588231386.db2.gz XXYDIGLDZBIWMN-WDEREUQCSA-N 1 2 249.314 2.316 20 30 BEEDLO C#CCC[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845598541 588234892 /nfs/dbraw/zinc/23/48/92/588234892.db2.gz PDEFIWNVCZZIQO-VXGBXAGGSA-N 1 2 234.299 2.179 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc2c1CCC2 ZINC000845979925 588252501 /nfs/dbraw/zinc/25/25/01/588252501.db2.gz CGTGNOAOYIEVLW-HNNXBMFYSA-N 1 2 241.334 2.009 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc2c1CCC2 ZINC000845979925 588252502 /nfs/dbraw/zinc/25/25/02/588252502.db2.gz CGTGNOAOYIEVLW-HNNXBMFYSA-N 1 2 241.334 2.009 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2noc(CCCC)n2)C1 ZINC000847022241 588302978 /nfs/dbraw/zinc/30/29/78/588302978.db2.gz GKHKZHFLVGNOGJ-GFCCVEGCSA-N 1 2 247.342 2.257 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2noc(CCCC)n2)C1 ZINC000847022241 588302979 /nfs/dbraw/zinc/30/29/79/588302979.db2.gz GKHKZHFLVGNOGJ-GFCCVEGCSA-N 1 2 247.342 2.257 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000847022448 588303231 /nfs/dbraw/zinc/30/32/31/588303231.db2.gz HSFJHYMXAJWDKS-WDEREUQCSA-N 1 2 245.326 2.353 20 30 BEEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000847022448 588303232 /nfs/dbraw/zinc/30/32/32/588303232.db2.gz HSFJHYMXAJWDKS-WDEREUQCSA-N 1 2 245.326 2.353 20 30 BEEDLO C#CCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000847049702 588304917 /nfs/dbraw/zinc/30/49/17/588304917.db2.gz WRWXALXVMBXOAW-UHFFFAOYSA-N 1 2 207.223 2.304 20 30 BEEDLO CC1(C)CCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848417160 588381379 /nfs/dbraw/zinc/38/13/79/588381379.db2.gz MWSKIZHNWUNEAG-UHFFFAOYSA-N 1 2 234.347 2.429 20 30 BEEDLO c1cn(CCCNN=C2C[C@H]3C=C[C@@H]2CC3)c[nH+]1 ZINC000848416668 588381500 /nfs/dbraw/zinc/38/15/00/588381500.db2.gz ULWSURHMXSRAEQ-QWHCGFSZSA-N 1 2 244.342 2.205 20 30 BEEDLO CCC(=NNCCCn1cc[nH+]c1)[C@@H]1C[C@H]1C ZINC000848416608 588381675 /nfs/dbraw/zinc/38/16/75/588381675.db2.gz QYRHMTQBDFLWNK-VXGBXAGGSA-N 1 2 234.347 2.285 20 30 BEEDLO CC[C@@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000848419170 588382455 /nfs/dbraw/zinc/38/24/55/588382455.db2.gz VBUZOQHEBWLIJW-GFCCVEGCSA-N 1 2 234.347 2.429 20 30 BEEDLO CCC(C=NNCCCn1cc[nH+]c1)CC ZINC000848419643 588382865 /nfs/dbraw/zinc/38/28/65/588382865.db2.gz ZVMICXSWXUYHQR-UHFFFAOYSA-N 1 2 222.336 2.285 20 30 BEEDLO CC(=NNCCCn1cc[nH+]c1)c1ccccc1 ZINC000848420378 588382926 /nfs/dbraw/zinc/38/29/26/588382926.db2.gz YVAJWCCUJZFASM-UHFFFAOYSA-N 1 2 242.326 2.287 20 30 BEEDLO C#C[C@@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000848750674 588411289 /nfs/dbraw/zinc/41/12/89/588411289.db2.gz UEDDYTFOSHROKP-GFCCVEGCSA-N 1 2 237.306 2.479 20 30 BEEDLO CC[C@H](C#N)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782840 588413765 /nfs/dbraw/zinc/41/37/65/588413765.db2.gz ONYCMARZALCJIL-LLVKDONJSA-N 1 2 243.266 2.102 20 30 BEEDLO C=CCC/[NH+]=C/c1cccc(OC)c1O ZINC000849169828 588459068 /nfs/dbraw/zinc/45/90/68/588459068.db2.gz HFAKNSQSQRUIEL-UKTHLTGXSA-N 1 2 205.257 2.396 20 30 BEEDLO CC(C)(F)CC/[NH+]=C\c1ccc(O)c(O)c1O ZINC000849171611 588460015 /nfs/dbraw/zinc/46/00/15/588460015.db2.gz AWBZKFIUMXRGSZ-AUWJEWJLSA-N 1 2 241.262 2.361 20 30 BEEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cscn1 ZINC000849324166 588472266 /nfs/dbraw/zinc/47/22/66/588472266.db2.gz YSIFWKCUHNJOKV-NXEZZACHSA-N 1 2 234.328 2.237 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cnc2ccccc2n1 ZINC000851786131 588628865 /nfs/dbraw/zinc/62/88/65/588628865.db2.gz WZHYTQLNJDMCMW-UHFFFAOYSA-N 1 2 249.317 2.088 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cnc2ccccc2n1 ZINC000851786131 588628866 /nfs/dbraw/zinc/62/88/66/588628866.db2.gz WZHYTQLNJDMCMW-UHFFFAOYSA-N 1 2 249.317 2.088 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851989449 588652767 /nfs/dbraw/zinc/65/27/67/588652767.db2.gz IKKUOAVXPCXGBH-VIFPVBQESA-N 1 2 236.246 2.187 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851989449 588652768 /nfs/dbraw/zinc/65/27/68/588652768.db2.gz IKKUOAVXPCXGBH-VIFPVBQESA-N 1 2 236.246 2.187 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc(CC)no1 ZINC000852098975 588662440 /nfs/dbraw/zinc/66/24/40/588662440.db2.gz AGEWHJXYCQZDLB-SKDRFNHKSA-N 1 2 221.304 2.085 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(CC(C)C)no1 ZINC000852097892 588662472 /nfs/dbraw/zinc/66/24/72/588662472.db2.gz ZVCIVZWDTTUGLT-ZDUSSCGKSA-N 1 2 235.331 2.160 20 30 BEEDLO C=C(Cl)C[NH2+]C(C)(C)c1nc(C)cc(=O)[nH]1 ZINC000852147276 588667032 /nfs/dbraw/zinc/66/70/32/588667032.db2.gz PUCFJUXHVAZRKF-UHFFFAOYSA-N 1 2 241.722 2.068 20 30 BEEDLO C[C@@H](C#N)[N@H+](CCCCCCCO)C1CC1 ZINC000852480692 588684360 /nfs/dbraw/zinc/68/43/60/588684360.db2.gz UOPZIUHNRSJCBA-LBPRGKRZSA-N 1 2 224.348 2.306 20 30 BEEDLO C[C@@H](C#N)[N@@H+](CCCCCCCO)C1CC1 ZINC000852480692 588684361 /nfs/dbraw/zinc/68/43/61/588684361.db2.gz UOPZIUHNRSJCBA-LBPRGKRZSA-N 1 2 224.348 2.306 20 30 BEEDLO CC[N@H+](CCCCCCCO)[C@@H](C)C#N ZINC000852638461 588693600 /nfs/dbraw/zinc/69/36/00/588693600.db2.gz CAZABUHAKVLEPT-LBPRGKRZSA-N 1 2 212.337 2.163 20 30 BEEDLO CC[N@@H+](CCCCCCCO)[C@@H](C)C#N ZINC000852638461 588693601 /nfs/dbraw/zinc/69/36/01/588693601.db2.gz CAZABUHAKVLEPT-LBPRGKRZSA-N 1 2 212.337 2.163 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000852663735 588694283 /nfs/dbraw/zinc/69/42/83/588694283.db2.gz SLQYEIWMHBZPCX-UHFFFAOYSA-N 1 2 239.359 2.309 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000852663735 588694284 /nfs/dbraw/zinc/69/42/84/588694284.db2.gz SLQYEIWMHBZPCX-UHFFFAOYSA-N 1 2 239.359 2.309 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC000852685505 588695955 /nfs/dbraw/zinc/69/59/55/588695955.db2.gz XBZLDPNIYCCFPR-UONOGXRCSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC000852685505 588695956 /nfs/dbraw/zinc/69/59/56/588695956.db2.gz XBZLDPNIYCCFPR-UONOGXRCSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000852684690 588696010 /nfs/dbraw/zinc/69/60/10/588696010.db2.gz MJRRPWMEIMEVKM-RKDXNWHRSA-N 1 2 233.142 2.416 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000852684690 588696011 /nfs/dbraw/zinc/69/60/11/588696011.db2.gz MJRRPWMEIMEVKM-RKDXNWHRSA-N 1 2 233.142 2.416 20 30 BEEDLO C#CCCCC(C)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000863104093 589255874 /nfs/dbraw/zinc/25/58/74/589255874.db2.gz SUBCTGNZXODSAX-CHWSQXEVSA-N 1 2 246.358 2.026 20 30 BEEDLO c1cnn([NH+]=C2CCC[C@H]2c2ccccn2)c1 ZINC000863163995 589266117 /nfs/dbraw/zinc/26/61/17/589266117.db2.gz VXIIOYWLWDNWRI-NSHDSACASA-N 1 2 226.283 2.450 20 30 BEEDLO C=CC[N@@H+](C)CN1C[C@@H](c2ccccc2)OC1=O ZINC000863264367 589275059 /nfs/dbraw/zinc/27/50/59/589275059.db2.gz GOULLVVABHDBDC-ZDUSSCGKSA-N 1 2 246.310 2.255 20 30 BEEDLO C=CC[N@H+](C)CN1C[C@@H](c2ccccc2)OC1=O ZINC000863264367 589275060 /nfs/dbraw/zinc/27/50/60/589275060.db2.gz GOULLVVABHDBDC-ZDUSSCGKSA-N 1 2 246.310 2.255 20 30 BEEDLO Cc1cc(C(=O)/C=C/c2cn(C3CC3)c[nH+]2)no1 ZINC000865224238 589414730 /nfs/dbraw/zinc/41/47/30/589414730.db2.gz PUEZXSHWIZKAJH-GORDUTHDSA-N 1 2 243.266 2.411 20 30 BEEDLO N#Cc1ccc2[nH+]c(NCC3(F)CC3)[nH]c2c1 ZINC000865296271 589420389 /nfs/dbraw/zinc/42/03/89/589420389.db2.gz SVDXMXJQVHSVSQ-UHFFFAOYSA-N 1 2 230.246 2.349 20 30 BEEDLO N#Cc1ccc2[nH]c(NCC3(F)CC3)[nH+]c2c1 ZINC000865296271 589420393 /nfs/dbraw/zinc/42/03/93/589420393.db2.gz SVDXMXJQVHSVSQ-UHFFFAOYSA-N 1 2 230.246 2.349 20 30 BEEDLO CCCNc1cc(NCCCCC#N)nc[nH+]1 ZINC000865509001 589442193 /nfs/dbraw/zinc/44/21/93/589442193.db2.gz JBQABKKZDMVXJB-UHFFFAOYSA-N 1 2 233.319 2.404 20 30 BEEDLO CCCNc1cc(NCCCCC#N)[nH+]cn1 ZINC000865509001 589442194 /nfs/dbraw/zinc/44/21/94/589442194.db2.gz JBQABKKZDMVXJB-UHFFFAOYSA-N 1 2 233.319 2.404 20 30 BEEDLO C=C[C@@H](C)Nc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865607468 589450234 /nfs/dbraw/zinc/45/02/34/589450234.db2.gz SUZOWOREQJFWSN-MRVPVSSYSA-N 1 2 233.319 2.098 20 30 BEEDLO C=C[C@@H](C)Nc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865607468 589450236 /nfs/dbraw/zinc/45/02/36/589450236.db2.gz SUZOWOREQJFWSN-MRVPVSSYSA-N 1 2 233.319 2.098 20 30 BEEDLO CC(C)Cc1cc(NCCCC#N)nc[nH+]1 ZINC000865670933 589455376 /nfs/dbraw/zinc/45/53/76/589455376.db2.gz LZIBRARVRCSIIH-UHFFFAOYSA-N 1 2 218.304 2.391 20 30 BEEDLO C[C@@H](O)c1ccc(NCC(C)(C)CC#N)[nH+]c1 ZINC000865870712 589466135 /nfs/dbraw/zinc/46/61/35/589466135.db2.gz YGTQYQRVUZQDDW-SNVBAGLBSA-N 1 2 233.315 2.487 20 30 BEEDLO C#CC[C@@H]1CCCN(c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000865900214 589467688 /nfs/dbraw/zinc/46/76/88/589467688.db2.gz WXEVHNVWWNRTJD-CHWSQXEVSA-N 1 2 244.338 2.375 20 30 BEEDLO COC[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866243354 589482334 /nfs/dbraw/zinc/48/23/34/589482334.db2.gz YLYPHQFGSZXBOK-MNOVXSKESA-N 1 2 248.326 2.197 20 30 BEEDLO C[C@H]([NH2+][C@@H]1CCCOC1)c1cccc(C#N)c1O ZINC000866260364 589483370 /nfs/dbraw/zinc/48/33/70/589483370.db2.gz DYQHXSVGAYRDDD-CMPLNLGQSA-N 1 2 246.310 2.093 20 30 BEEDLO C[C@@H]([NH2+][C@@H]1CCCOC1)c1cccc(C#N)c1O ZINC000866260367 589483422 /nfs/dbraw/zinc/48/34/22/589483422.db2.gz DYQHXSVGAYRDDD-ZYHUDNBSSA-N 1 2 246.310 2.093 20 30 BEEDLO CCC[C@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866266105 589483672 /nfs/dbraw/zinc/48/36/72/589483672.db2.gz WUMMAZQKTVKHHM-PWSUYJOCSA-N 1 2 248.326 2.075 20 30 BEEDLO CC[C@@H](COC)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866269755 589483973 /nfs/dbraw/zinc/48/39/73/589483973.db2.gz ZAQOHJBUFZQQHV-JQWIXIFHSA-N 1 2 248.326 2.339 20 30 BEEDLO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866283671 589484264 /nfs/dbraw/zinc/48/42/64/589484264.db2.gz ZDRDMZHYBMLJIQ-ZJUUUORDSA-N 1 2 216.284 2.489 20 30 BEEDLO N#CCCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866335194 589486697 /nfs/dbraw/zinc/48/66/97/589486697.db2.gz FRGIXZVDVKCWHB-WCQYABFASA-N 1 2 234.274 2.352 20 30 BEEDLO CC(C)OCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866338518 589486900 /nfs/dbraw/zinc/48/69/00/589486900.db2.gz SPIKWCYGAZOKSU-LLVKDONJSA-N 1 2 248.326 2.339 20 30 BEEDLO C[C@@H]([NH2+]CCC[C@H](C)O)c1cccc(C#N)c1O ZINC000866349908 589487375 /nfs/dbraw/zinc/48/73/75/589487375.db2.gz QSBVZFZAKOMSEY-WDEREUQCSA-N 1 2 248.326 2.075 20 30 BEEDLO C[C@@H](O)CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866349906 589487476 /nfs/dbraw/zinc/48/74/76/589487476.db2.gz QSBVZFZAKOMSEY-MNOVXSKESA-N 1 2 248.326 2.075 20 30 BEEDLO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866361628 589487919 /nfs/dbraw/zinc/48/79/19/589487919.db2.gz QXDJLDFVKIRRRI-VWYCJHECSA-N 1 2 248.326 2.338 20 30 BEEDLO C=CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866387207 589489422 /nfs/dbraw/zinc/48/94/22/589489422.db2.gz QAZGMCMEUTXGSS-SNVBAGLBSA-N 1 2 216.284 2.491 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(OC(C)=O)cc1 ZINC000123259679 589683494 /nfs/dbraw/zinc/68/34/94/589683494.db2.gz XGXUSGPFALPCMK-UHFFFAOYSA-N 1 2 246.310 2.347 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(C)=O)cc1 ZINC000123259679 589683496 /nfs/dbraw/zinc/68/34/96/589683496.db2.gz XGXUSGPFALPCMK-UHFFFAOYSA-N 1 2 246.310 2.347 20 30 BEEDLO C=CCCCO[NH+]=C(N)COC1CCC1 ZINC000871776853 589814084 /nfs/dbraw/zinc/81/40/84/589814084.db2.gz ZFHHNYGSGMMWBU-UHFFFAOYSA-N 1 2 212.293 2.020 20 30 BEEDLO C=CCCCCO[NH+]=C(N)COC1CCC1 ZINC000871778349 589814087 /nfs/dbraw/zinc/81/40/87/589814087.db2.gz DXSAFMPKBNRSTF-UHFFFAOYSA-N 1 2 226.320 2.410 20 30 BEEDLO CC[C@H](C)CON=Cc1c[nH]c2nc[nH+]cc12 ZINC000872376559 589925751 /nfs/dbraw/zinc/92/57/51/589925751.db2.gz IKUVTFOCMQKNCD-VIFPVBQESA-N 1 2 232.287 2.306 20 30 BEEDLO CC(C[NH+]1Cc2ccccc2C1)=NN1CCC1 ZINC000872397719 589934180 /nfs/dbraw/zinc/93/41/80/589934180.db2.gz QZZRUAILNDKAIB-UHFFFAOYSA-N 1 2 229.327 2.084 20 30 BEEDLO Cc1[nH+]cc(C=NN2CCC2)n1-c1ccccc1 ZINC000872397837 589934381 /nfs/dbraw/zinc/93/43/81/589934381.db2.gz XTLIMZKQJAQXEP-UHFFFAOYSA-N 1 2 240.310 2.220 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cc(C#N)cnc1Cl ZINC000876640169 590224870 /nfs/dbraw/zinc/22/48/70/590224870.db2.gz ZYYNXYQBPRHKJU-UHFFFAOYSA-N 1 2 233.702 2.062 20 30 BEEDLO C#CC[N@H+](CC)Cc1cc(C#N)cnc1Cl ZINC000876640169 590224871 /nfs/dbraw/zinc/22/48/71/590224871.db2.gz ZYYNXYQBPRHKJU-UHFFFAOYSA-N 1 2 233.702 2.062 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1ccc(C)cc1O ZINC000876691668 590231350 /nfs/dbraw/zinc/23/13/50/590231350.db2.gz NOTIIVYEAWRMSM-UHFFFAOYSA-N 1 2 248.326 2.063 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1ccc(C)cc1O ZINC000876691668 590231351 /nfs/dbraw/zinc/23/13/51/590231351.db2.gz NOTIIVYEAWRMSM-UHFFFAOYSA-N 1 2 248.326 2.063 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(C(F)F)nc1 ZINC000876744973 590236457 /nfs/dbraw/zinc/23/64/57/590236457.db2.gz IGPMPCYIBAVAIR-UHFFFAOYSA-N 1 2 234.249 2.088 20 30 BEEDLO C[C@@H](CCC#N)C[NH2+]c1ccc(OCCO)cc1 ZINC000876857980 590250255 /nfs/dbraw/zinc/25/02/55/590250255.db2.gz LOHRRWMCXHMVEE-LBPRGKRZSA-N 1 2 248.326 2.409 20 30 BEEDLO N#CCCCC[NH2+]Cc1ccc(F)c(F)c1O ZINC000877017243 590269341 /nfs/dbraw/zinc/26/93/41/590269341.db2.gz FOAHBWSRXISUIS-UHFFFAOYSA-N 1 2 240.253 2.454 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1nc(Cl)cs1 ZINC000877322454 590317166 /nfs/dbraw/zinc/31/71/66/590317166.db2.gz HKFBUEXGBAWLAZ-UHFFFAOYSA-N 1 2 229.736 2.436 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000877323334 590317439 /nfs/dbraw/zinc/31/74/39/590317439.db2.gz MPKDMVDTFAGVBL-UHFFFAOYSA-N 1 2 245.282 2.173 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)cnc1F ZINC000877363045 590318765 /nfs/dbraw/zinc/31/87/65/590318765.db2.gz AXHOWKGAIGYUNU-JTQLQIEISA-N 1 2 237.278 2.011 20 30 BEEDLO C#C[C@@H](C)[NH2+]Cc1c(Cl)cncc1Cl ZINC000877514998 590345426 /nfs/dbraw/zinc/34/54/26/590345426.db2.gz YVHQFVQGNTWDHP-SSDOTTSWSA-N 1 2 229.110 2.500 20 30 BEEDLO Cc1ccc(C[NH+]2CC(C)(C#N)C2)c(O)c1 ZINC000877579754 590364851 /nfs/dbraw/zinc/36/48/51/590364851.db2.gz AKAOAOCJKIVPFZ-UHFFFAOYSA-N 1 2 216.284 2.046 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@H+](CC)Cc1ccoc1 ZINC000878036508 590476761 /nfs/dbraw/zinc/47/67/61/590476761.db2.gz MMRGIHLNYWVEMS-GFCCVEGCSA-N 1 2 237.299 2.219 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@@H+](CC)Cc1ccoc1 ZINC000878036508 590476763 /nfs/dbraw/zinc/47/67/63/590476763.db2.gz MMRGIHLNYWVEMS-GFCCVEGCSA-N 1 2 237.299 2.219 20 30 BEEDLO CO[C@H]1C[C@@H](C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000878159746 590510788 /nfs/dbraw/zinc/51/07/88/590510788.db2.gz TWUHPLIXTNBMRW-XBXGTLAGSA-N 1 2 248.326 2.420 20 30 BEEDLO CO[C@H]1C[C@@H](C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000878159746 590510792 /nfs/dbraw/zinc/51/07/92/590510792.db2.gz TWUHPLIXTNBMRW-XBXGTLAGSA-N 1 2 248.326 2.420 20 30 BEEDLO C#CCCCCC[N@@H+](C)Cc1noc(C)n1 ZINC000878381849 590556657 /nfs/dbraw/zinc/55/66/57/590556657.db2.gz WSVFFLCLXOJOFX-UHFFFAOYSA-N 1 2 221.304 2.003 20 30 BEEDLO C#CCCCCC[N@H+](C)Cc1noc(C)n1 ZINC000878381849 590556659 /nfs/dbraw/zinc/55/66/59/590556659.db2.gz WSVFFLCLXOJOFX-UHFFFAOYSA-N 1 2 221.304 2.003 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H]1CC2(CCC2)CO1 ZINC000878639330 590598662 /nfs/dbraw/zinc/59/86/62/590598662.db2.gz HXKJNCIFLHDACA-CYBMUJFWSA-N 1 2 234.343 2.347 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H]1CC2(CCC2)CO1 ZINC000878639330 590598663 /nfs/dbraw/zinc/59/86/63/590598663.db2.gz HXKJNCIFLHDACA-CYBMUJFWSA-N 1 2 234.343 2.347 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878639193 590599162 /nfs/dbraw/zinc/59/91/62/590599162.db2.gz CWVXHQLMRGFLGE-HZSPNIEDSA-N 1 2 234.343 2.346 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878639193 590599164 /nfs/dbraw/zinc/59/91/64/590599164.db2.gz CWVXHQLMRGFLGE-HZSPNIEDSA-N 1 2 234.343 2.346 20 30 BEEDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000878918731 590651339 /nfs/dbraw/zinc/65/13/39/590651339.db2.gz WKOKONHYHYJOFB-NSHDSACASA-N 1 2 246.310 2.295 20 30 BEEDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccc(C#N)o1 ZINC000878918731 590651341 /nfs/dbraw/zinc/65/13/41/590651341.db2.gz WKOKONHYHYJOFB-NSHDSACASA-N 1 2 246.310 2.295 20 30 BEEDLO C#C[C@@](C)(CC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000879073326 590693267 /nfs/dbraw/zinc/69/32/67/590693267.db2.gz COVYJLGHTPKRHP-AWEZNQCLSA-N 1 2 245.326 2.044 20 30 BEEDLO C[N@H+](Cc1ccnc(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000879310661 590734701 /nfs/dbraw/zinc/73/47/01/590734701.db2.gz XWLJQXHZPRDLCE-NEPJUHHUSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1ccnc(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000879310661 590734702 /nfs/dbraw/zinc/73/47/02/590734702.db2.gz XWLJQXHZPRDLCE-NEPJUHHUSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@H+](Cc1cccc(F)n1)[C@H]1CCC[C@H]1C#N ZINC000879308578 590734946 /nfs/dbraw/zinc/73/49/46/590734946.db2.gz CYUJDKJRDFSVOZ-JQWIXIFHSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1cccc(F)n1)[C@H]1CCC[C@H]1C#N ZINC000879308578 590734951 /nfs/dbraw/zinc/73/49/51/590734951.db2.gz CYUJDKJRDFSVOZ-JQWIXIFHSA-N 1 2 233.290 2.345 20 30 BEEDLO Cc1nc(C)c(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)o1 ZINC000879311068 590736727 /nfs/dbraw/zinc/73/67/27/590736727.db2.gz NMRBZOHOADBNGH-NEPJUHHUSA-N 1 2 233.315 2.416 20 30 BEEDLO Cc1nc(C)c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)o1 ZINC000879311068 590736729 /nfs/dbraw/zinc/73/67/29/590736729.db2.gz NMRBZOHOADBNGH-NEPJUHHUSA-N 1 2 233.315 2.416 20 30 BEEDLO C#CC(C)(C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000879526669 590789036 /nfs/dbraw/zinc/78/90/36/590789036.db2.gz QELOMFANCNOJLD-UHFFFAOYSA-N 1 2 231.299 2.232 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879628873 590840063 /nfs/dbraw/zinc/84/00/63/590840063.db2.gz BLCBLJKNANSUPI-OAHLLOKOSA-N 1 2 245.322 2.092 20 30 BEEDLO CC#CC[N@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879628873 590840066 /nfs/dbraw/zinc/84/00/66/590840066.db2.gz BLCBLJKNANSUPI-OAHLLOKOSA-N 1 2 245.322 2.092 20 30 BEEDLO Cc1nccnc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000880108520 590927863 /nfs/dbraw/zinc/92/78/63/590927863.db2.gz AOCNFXAZKBSUEE-LLVKDONJSA-N 1 2 230.315 2.130 20 30 BEEDLO CC(C)(O)[C@H]1CC[N@@H+]([C@H](C#N)c2ccccc2)C1 ZINC000880149122 590946288 /nfs/dbraw/zinc/94/62/88/590946288.db2.gz VOJCZEOOIOEGRK-UONOGXRCSA-N 1 2 244.338 2.344 20 30 BEEDLO CC(C)(O)[C@H]1CC[N@H+]([C@H](C#N)c2ccccc2)C1 ZINC000880149122 590946289 /nfs/dbraw/zinc/94/62/89/590946289.db2.gz VOJCZEOOIOEGRK-UONOGXRCSA-N 1 2 244.338 2.344 20 30 BEEDLO Cc1[nH+]cnc(NCC(C)(C)CC#N)c1C ZINC000882440957 591350342 /nfs/dbraw/zinc/35/03/42/591350342.db2.gz DMWYONYZGIUTCY-UHFFFAOYSA-N 1 2 218.304 2.445 20 30 BEEDLO CCC[N@H+](CC#N)Cc1ccccc1O ZINC000130733077 591512390 /nfs/dbraw/zinc/51/23/90/591512390.db2.gz RYLWGAMFWOGCFR-UHFFFAOYSA-N 1 2 204.273 2.128 20 30 BEEDLO CCC[N@@H+](CC#N)Cc1ccccc1O ZINC000130733077 591512392 /nfs/dbraw/zinc/51/23/92/591512392.db2.gz RYLWGAMFWOGCFR-UHFFFAOYSA-N 1 2 204.273 2.128 20 30 BEEDLO C=CC(C)(C)CC(=O)Nc1ccc(N)[nH+]c1 ZINC000884025384 591805443 /nfs/dbraw/zinc/80/54/43/591805443.db2.gz VJTHXJDITCAYMN-UHFFFAOYSA-N 1 2 219.288 2.205 20 30 BEEDLO CC1(C)CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)[C@@H]1C#N ZINC000886173075 592169108 /nfs/dbraw/zinc/16/91/08/592169108.db2.gz FMMFETFJNWXAFN-GZBFAFLISA-N 1 2 248.370 2.427 20 30 BEEDLO CC1(C)CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)[C@@H]1C#N ZINC000886173075 592169109 /nfs/dbraw/zinc/16/91/09/592169109.db2.gz FMMFETFJNWXAFN-GZBFAFLISA-N 1 2 248.370 2.427 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886215245 592178637 /nfs/dbraw/zinc/17/86/37/592178637.db2.gz GQXLKYHXGCVHMJ-UONOGXRCSA-N 1 2 234.343 2.346 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886215245 592178639 /nfs/dbraw/zinc/17/86/39/592178639.db2.gz GQXLKYHXGCVHMJ-UONOGXRCSA-N 1 2 234.343 2.346 20 30 BEEDLO C=CCOCC[N@@H+](CC(F)F)C1CCC1 ZINC000887102200 592443705 /nfs/dbraw/zinc/44/37/05/592443705.db2.gz HBACDKXHDUSJJW-UHFFFAOYSA-N 1 2 219.275 2.309 20 30 BEEDLO C=CCOCC[N@H+](CC(F)F)C1CCC1 ZINC000887102200 592443707 /nfs/dbraw/zinc/44/37/07/592443707.db2.gz HBACDKXHDUSJJW-UHFFFAOYSA-N 1 2 219.275 2.309 20 30 BEEDLO COc1cccc(/C=[NH+]\C[C@H]2C[C@H](OC)C2)c1O ZINC000887268462 592473499 /nfs/dbraw/zinc/47/34/99/592473499.db2.gz MSRFVHOKAGVWQZ-ACQLHABLSA-N 1 2 249.310 2.245 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]\C[C@H]2C[C@H](OC)C2)c1 ZINC000887268053 592473516 /nfs/dbraw/zinc/47/35/16/592473516.db2.gz ATLQIOZKKFYDCX-ANSFHQDNSA-N 1 2 249.310 2.245 20 30 BEEDLO C#CCSCC(=O)Nc1ccc(C)[nH+]c1C ZINC000889464818 592612877 /nfs/dbraw/zinc/61/28/77/592612877.db2.gz OGESNPDKZQXUFC-UHFFFAOYSA-N 1 2 234.324 2.003 20 30 BEEDLO C#CCN(Cc1[nH+]ccn1C(C)C)C1CC1 ZINC000274150098 592710094 /nfs/dbraw/zinc/71/00/94/592710094.db2.gz KUYPWZPHBBBJRN-UHFFFAOYSA-N 1 2 217.316 2.062 20 30 BEEDLO Oc1ccccc1/C=[NH+]/CC1CCOCC1 ZINC000194613574 634402797 /nfs/dbraw/zinc/40/27/97/634402797.db2.gz VCUKKSHPWFUMOJ-GXDHUFHOSA-N 1 2 219.284 2.238 20 30 BEEDLO CCc1cccc(F)c1C[NH2+]CCC#N ZINC000336764138 635285219 /nfs/dbraw/zinc/28/52/19/635285219.db2.gz PPTQIFKBTYVULE-UHFFFAOYSA-N 1 2 206.264 2.391 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](F)C2)s1 ZINC000335410127 631231965 /nfs/dbraw/zinc/23/19/65/631231965.db2.gz PGIKZJRAPNHNKJ-QMMMGPOBSA-N 1 2 210.277 2.164 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](F)C2)s1 ZINC000335410127 631231973 /nfs/dbraw/zinc/23/19/73/631231973.db2.gz PGIKZJRAPNHNKJ-QMMMGPOBSA-N 1 2 210.277 2.164 20 30 BEEDLO N#CCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000425979363 635656112 /nfs/dbraw/zinc/65/61/12/635656112.db2.gz SQXVPGRVWDNLIF-UHFFFAOYSA-N 1 2 244.323 2.208 20 30 BEEDLO COc1cccc(C[NH2+]CCC#N)c1OC(C)C ZINC000337983988 635673231 /nfs/dbraw/zinc/67/32/31/635673231.db2.gz VFRTUNHRJNJKCG-UHFFFAOYSA-N 1 2 248.326 2.486 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nnc(CC)[nH]1 ZINC000934459939 631851933 /nfs/dbraw/zinc/85/19/33/631851933.db2.gz NTKWGHCKXDCUPK-NXEZZACHSA-N 1 2 220.320 2.079 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nnc(CC)[nH]1 ZINC000934459939 631851937 /nfs/dbraw/zinc/85/19/37/631851937.db2.gz NTKWGHCKXDCUPK-NXEZZACHSA-N 1 2 220.320 2.079 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1csnn1 ZINC000934460321 631854749 /nfs/dbraw/zinc/85/47/49/631854749.db2.gz OZTHRHHQSATEOB-IUCAKERBSA-N 1 2 209.318 2.250 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1csnn1 ZINC000934460321 631854752 /nfs/dbraw/zinc/85/47/52/631854752.db2.gz OZTHRHHQSATEOB-IUCAKERBSA-N 1 2 209.318 2.250 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000934461437 631857086 /nfs/dbraw/zinc/85/70/86/631857086.db2.gz XZAYYRWTWAOXAU-NSHDSACASA-N 1 2 248.282 2.451 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000934461437 631857088 /nfs/dbraw/zinc/85/70/88/631857088.db2.gz XZAYYRWTWAOXAU-NSHDSACASA-N 1 2 248.282 2.451 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1ncnn1C(C)C ZINC000934464499 631860257 /nfs/dbraw/zinc/86/02/57/631860257.db2.gz PEXWHZYZXRNQDQ-LLVKDONJSA-N 1 2 220.320 2.009 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1ncnn1C(C)C ZINC000934464499 631860260 /nfs/dbraw/zinc/86/02/60/631860260.db2.gz PEXWHZYZXRNQDQ-LLVKDONJSA-N 1 2 220.320 2.009 20 30 BEEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc[nH]1 ZINC000309761842 632667049 /nfs/dbraw/zinc/66/70/49/632667049.db2.gz IVMYBBHESAONON-MRVPVSSYSA-N 1 2 232.312 2.194 20 30 BEEDLO Cc1cc(C[NH2+]CC2(C#N)CC2)c(C)o1 ZINC000309192519 632746919 /nfs/dbraw/zinc/74/69/19/632746919.db2.gz PXIINPRSPXHZKY-UHFFFAOYSA-N 1 2 204.273 2.290 20 30 BEEDLO CCCCCCC[N@H+](C)Cc1nnc[nH]1 ZINC000177154500 632772219 /nfs/dbraw/zinc/77/22/19/632772219.db2.gz RVAPVVMPJYGTKG-UHFFFAOYSA-N 1 2 210.325 2.207 20 30 BEEDLO CCCCCCC[N@@H+](C)Cc1nnc[nH]1 ZINC000177154500 632772223 /nfs/dbraw/zinc/77/22/23/632772223.db2.gz RVAPVVMPJYGTKG-UHFFFAOYSA-N 1 2 210.325 2.207 20 30 BEEDLO CC[C@@H]([NH2+]CC[C@H](C)O)c1cccc(C#N)c1O ZINC000925074723 635902591 /nfs/dbraw/zinc/90/25/91/635902591.db2.gz XOYWHIBECFETMT-GXFFZTMASA-N 1 2 248.326 2.075 20 30 BEEDLO C=C(Br)C[N@H+]1CC=CCC1 ZINC000306264477 635961680 /nfs/dbraw/zinc/96/16/80/635961680.db2.gz FHWSTURCVLRMCI-UHFFFAOYSA-N 1 2 202.095 2.157 20 30 BEEDLO C=C(Br)C[N@@H+]1CC=CCC1 ZINC000306264477 635961687 /nfs/dbraw/zinc/96/16/87/635961687.db2.gz FHWSTURCVLRMCI-UHFFFAOYSA-N 1 2 202.095 2.157 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc2c1OCO2 ZINC000926873628 633757250 /nfs/dbraw/zinc/75/72/50/633757250.db2.gz HYVOBFSYQRDYEQ-SNVBAGLBSA-N 1 2 244.294 2.370 20 30 BEEDLO C=C[C@@H](CC)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000909524869 636165497 /nfs/dbraw/zinc/16/54/97/636165497.db2.gz KOKPNSCKUSDIAV-JTQLQIEISA-N 1 2 234.299 2.309 20 30 BEEDLO CC(C)(C#N)C[NH2+]CC#Cc1ccccc1 ZINC000893552190 635149824 /nfs/dbraw/zinc/14/98/24/635149824.db2.gz RKWSKPLYORPUKF-UHFFFAOYSA-N 1 2 212.296 2.177 20 30 BEEDLO C=C[C@@H]1CCCCN1c1cc(N(C)C)[nH+]cn1 ZINC000893552691 635152054 /nfs/dbraw/zinc/15/20/54/635152054.db2.gz XEMGCTFCFOEWTF-LLVKDONJSA-N 1 2 232.331 2.088 20 30 BEEDLO C=C[C@@H]1CCCCN1c1cc(N(C)C)nc[nH+]1 ZINC000893552691 635152061 /nfs/dbraw/zinc/15/20/61/635152061.db2.gz XEMGCTFCFOEWTF-LLVKDONJSA-N 1 2 232.331 2.088 20 30 BEEDLO C#C[C@@H]1CCCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000897360493 636422381 /nfs/dbraw/zinc/42/23/81/636422381.db2.gz HZWDNHSSHMIGHE-GFCCVEGCSA-N 1 2 242.326 2.043 20 30 BEEDLO C#C[C@@H]1CCCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000897360493 636422388 /nfs/dbraw/zinc/42/23/88/636422388.db2.gz HZWDNHSSHMIGHE-GFCCVEGCSA-N 1 2 242.326 2.043 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000840729575 636444580 /nfs/dbraw/zinc/44/45/80/636444580.db2.gz NKSITLJWABMSOQ-SECBINFHSA-N 1 2 225.723 2.232 20 30 BEEDLO C=C[C@](C)(CC)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898906393 637063669 /nfs/dbraw/zinc/06/36/69/637063669.db2.gz MYQXFBHYGWIFKL-CQSZACIVSA-N 1 2 249.358 2.337 20 30 BEEDLO C=CC[C@H]([NH2+]CCCc1ccccc1)C(=O)OC ZINC000905748671 637898126 /nfs/dbraw/zinc/89/81/26/637898126.db2.gz XQSQLYYXXNKZFP-AWEZNQCLSA-N 1 2 247.338 2.327 20 30 BEEDLO C#CC[N@H+](Cn1ccc(C(F)(F)F)n1)C(C)C ZINC000905743432 637904833 /nfs/dbraw/zinc/90/48/33/637904833.db2.gz QQNAMOWGAFZXSG-UHFFFAOYSA-N 1 2 245.248 2.203 20 30 BEEDLO C#CC[N@@H+](Cn1ccc(C(F)(F)F)n1)C(C)C ZINC000905743432 637904834 /nfs/dbraw/zinc/90/48/34/637904834.db2.gz QQNAMOWGAFZXSG-UHFFFAOYSA-N 1 2 245.248 2.203 20 30 BEEDLO C=CC[C@H]([NH2+]C[C@@H]1CCCC1(F)F)C(=O)OC ZINC000905771664 637927664 /nfs/dbraw/zinc/92/76/64/637927664.db2.gz VQBLOXDXDXPPGF-UWVGGRQHSA-N 1 2 247.285 2.129 20 30 BEEDLO CC[C@H](C#N)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906007335 638020376 /nfs/dbraw/zinc/02/03/76/638020376.db2.gz QKFAGHMTVDPEBA-GFCCVEGCSA-N 1 2 245.326 2.381 20 30 BEEDLO Cc1cc(C)c(C(=O)N[C@@H](C)CC#N)c(C)[nH+]1 ZINC000906460093 638171202 /nfs/dbraw/zinc/17/12/02/638171202.db2.gz QTNWYDWDORAFSJ-VIFPVBQESA-N 1 2 231.299 2.039 20 30 BEEDLO C=C(Cl)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906743107 638236785 /nfs/dbraw/zinc/23/67/85/638236785.db2.gz MRMYBRGIESZABK-UHFFFAOYSA-N 1 2 238.718 2.489 20 30 BEEDLO Cc1cc(C)c(C(=O)NCC(C)(C)C#N)c(C)[nH+]1 ZINC000907294802 638343327 /nfs/dbraw/zinc/34/33/27/638343327.db2.gz JAUOPVTWHNFTHI-UHFFFAOYSA-N 1 2 245.326 2.286 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)CNc1cccc[nH+]1 ZINC000907805557 638471387 /nfs/dbraw/zinc/47/13/87/638471387.db2.gz ABTXMVYEKDMNBI-GFCCVEGCSA-N 1 2 245.326 2.061 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1cc(C(F)(F)F)n(C)n1 ZINC000930243873 639652471 /nfs/dbraw/zinc/65/24/71/639652471.db2.gz JEAZNCTXODEZGX-UHFFFAOYSA-N 1 2 247.264 2.447 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1cc(C(F)(F)F)n(C)n1 ZINC000930243873 639652480 /nfs/dbraw/zinc/65/24/80/639652480.db2.gz JEAZNCTXODEZGX-UHFFFAOYSA-N 1 2 247.264 2.447 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)c1snnc1C ZINC000930693759 639863541 /nfs/dbraw/zinc/86/35/41/639863541.db2.gz TWKRURYNENHTHL-IONNQARKSA-N 1 2 224.333 2.189 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930704825 639871736 /nfs/dbraw/zinc/87/17/36/639871736.db2.gz NQQJXNBLBJALHQ-CQSZACIVSA-N 1 2 246.354 2.185 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930704825 639871739 /nfs/dbraw/zinc/87/17/39/639871739.db2.gz NQQJXNBLBJALHQ-CQSZACIVSA-N 1 2 246.354 2.185 20 30 BEEDLO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(F)nc1 ZINC000930866557 639959310 /nfs/dbraw/zinc/95/93/10/639959310.db2.gz COERDBAOINMTRN-IUCAKERBSA-N 1 2 207.252 2.173 20 30 BEEDLO C[C@@H](c1ncccn1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000930922919 639990370 /nfs/dbraw/zinc/99/03/70/639990370.db2.gz LTOZAUNXVVJNSO-RYUDHWBXSA-N 1 2 230.315 2.163 20 30 BEEDLO C[C@@H](c1ncccn1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000930922919 639990376 /nfs/dbraw/zinc/99/03/76/639990376.db2.gz LTOZAUNXVVJNSO-RYUDHWBXSA-N 1 2 230.315 2.163 20 30 BEEDLO COC[C@@H](C[N@H+]([C@@H](C)C#N)C1CC1)C(C)C ZINC000930974348 640009189 /nfs/dbraw/zinc/00/91/89/640009189.db2.gz VNQIUYCUWAJSOB-NWDGAFQWSA-N 1 2 224.348 2.281 20 30 BEEDLO COC[C@@H](C[N@@H+]([C@@H](C)C#N)C1CC1)C(C)C ZINC000930974348 640009194 /nfs/dbraw/zinc/00/91/94/640009194.db2.gz VNQIUYCUWAJSOB-NWDGAFQWSA-N 1 2 224.348 2.281 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c(C)nn1 ZINC000931476822 640231072 /nfs/dbraw/zinc/23/10/72/640231072.db2.gz RQWSGGKMHPHAIT-TZMCWYRMSA-N 1 2 244.342 2.218 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c(C)nn1 ZINC000931476822 640231079 /nfs/dbraw/zinc/23/10/79/640231079.db2.gz RQWSGGKMHPHAIT-TZMCWYRMSA-N 1 2 244.342 2.218 20 30 BEEDLO N#CCC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931920843 640390014 /nfs/dbraw/zinc/39/00/14/640390014.db2.gz TXOXQIOJDBNWJZ-QMMMGPOBSA-N 1 2 236.212 2.266 20 30 BEEDLO N#CCC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931920843 640390021 /nfs/dbraw/zinc/39/00/21/640390021.db2.gz TXOXQIOJDBNWJZ-QMMMGPOBSA-N 1 2 236.212 2.266 20 30 BEEDLO C#CC[N@@H+](Cc1nc(C)c(C)o1)C(C)C ZINC000932393466 640520303 /nfs/dbraw/zinc/52/03/03/640520303.db2.gz VLHXSJGUTNHCTD-UHFFFAOYSA-N 1 2 206.289 2.135 20 30 BEEDLO C#CC[N@H+](Cc1nc(C)c(C)o1)C(C)C ZINC000932393466 640520290 /nfs/dbraw/zinc/52/02/90/640520290.db2.gz VLHXSJGUTNHCTD-UHFFFAOYSA-N 1 2 206.289 2.135 20 30 BEEDLO C#CC[N@@H+](Cc1nocc1C)C(C)(C)C ZINC000932461493 640531964 /nfs/dbraw/zinc/53/19/64/640531964.db2.gz DDCREISGPOSKRS-UHFFFAOYSA-N 1 2 206.289 2.217 20 30 BEEDLO C#CC[N@H+](Cc1nocc1C)C(C)(C)C ZINC000932461493 640531968 /nfs/dbraw/zinc/53/19/68/640531968.db2.gz DDCREISGPOSKRS-UHFFFAOYSA-N 1 2 206.289 2.217 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cccc(Cl)c1O ZINC000165161224 640539530 /nfs/dbraw/zinc/53/95/30/640539530.db2.gz VZDTVHLWSLXARD-QMMMGPOBSA-N 1 2 224.691 2.295 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCn3cccc3C2)cc1 ZINC000932524893 640562987 /nfs/dbraw/zinc/56/29/87/640562987.db2.gz BDTDAGGRWYMTSP-UHFFFAOYSA-N 1 2 237.306 2.376 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCn3cccc3C2)cc1 ZINC000932524893 640562991 /nfs/dbraw/zinc/56/29/91/640562991.db2.gz BDTDAGGRWYMTSP-UHFFFAOYSA-N 1 2 237.306 2.376 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)C=C2CCCCC2)C1 ZINC001030137771 640627392 /nfs/dbraw/zinc/62/73/92/640627392.db2.gz KLYJANWIUFHTGJ-UHFFFAOYSA-N 1 2 248.370 2.253 20 30 BEEDLO C#CCC1([NH2+][C@@H](C(=O)OC)[C@H](C)CC)CCC1 ZINC000933294186 640699546 /nfs/dbraw/zinc/69/95/46/640699546.db2.gz PCBMPNKHQSOTQP-VXGBXAGGSA-N 1 2 237.343 2.110 20 30 BEEDLO CCCCCCCC[NH+]1CCS(=O)CC1 ZINC000157907309 640770359 /nfs/dbraw/zinc/77/03/59/640770359.db2.gz WQTXWPLPASGPQW-UHFFFAOYSA-N 1 2 231.405 2.411 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc(C(C)C)o1 ZINC000934469756 641164366 /nfs/dbraw/zinc/16/43/66/641164366.db2.gz ZHEAHMHNHQIEGS-JTQLQIEISA-N 1 2 221.304 2.343 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc(C(C)C)o1 ZINC000934469756 641164376 /nfs/dbraw/zinc/16/43/76/641164376.db2.gz ZHEAHMHNHQIEGS-JTQLQIEISA-N 1 2 221.304 2.343 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000934509865 641176726 /nfs/dbraw/zinc/17/67/26/641176726.db2.gz QRRQUBMKRGRZFF-CQSZACIVSA-N 1 2 239.322 2.322 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2n1 ZINC000934509865 641176729 /nfs/dbraw/zinc/17/67/29/641176729.db2.gz QRRQUBMKRGRZFF-CQSZACIVSA-N 1 2 239.322 2.322 20 30 BEEDLO Cc1cnc(CO[NH+]=C(N)Cc2ccccc2)o1 ZINC000174117889 641244547 /nfs/dbraw/zinc/24/45/47/641244547.db2.gz IXXDQNLCHWUTDQ-UHFFFAOYSA-N 1 2 245.282 2.015 20 30 BEEDLO C=CCCC(C)(C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000913648345 641446767 /nfs/dbraw/zinc/44/67/67/641446767.db2.gz AKFKTLMOLZGZQH-UHFFFAOYSA-N 1 2 235.331 2.061 20 30 BEEDLO C=CC(C)(C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000913795670 641478109 /nfs/dbraw/zinc/47/81/09/641478109.db2.gz FTVXOSGWFBVKJV-UHFFFAOYSA-N 1 2 235.331 2.061 20 30 BEEDLO CCCCCCCN1CC[NH+](CCOC)CC1 ZINC000157381839 641618094 /nfs/dbraw/zinc/61/80/94/641618094.db2.gz TWFFEVWSOBJDSV-UHFFFAOYSA-N 1 2 242.407 2.221 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC)[C@@H]1C ZINC000992930868 641679372 /nfs/dbraw/zinc/67/93/72/641679372.db2.gz JFJSJUNYIFSXDJ-WDEREUQCSA-N 1 2 244.766 2.118 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC)[C@@H]1C ZINC000992930868 641679377 /nfs/dbraw/zinc/67/93/77/641679377.db2.gz JFJSJUNYIFSXDJ-WDEREUQCSA-N 1 2 244.766 2.118 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)C2CCC(=C)CC2)CC1 ZINC000950018478 641883074 /nfs/dbraw/zinc/88/30/74/641883074.db2.gz IPFHTEKLDIZMEF-UHFFFAOYSA-N 1 2 248.370 2.063 20 30 BEEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000307156143 642366512 /nfs/dbraw/zinc/36/65/12/642366512.db2.gz WLTRUYWMNVHBTQ-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCOC1 ZINC000307156143 642366518 /nfs/dbraw/zinc/36/65/18/642366518.db2.gz WLTRUYWMNVHBTQ-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO CCn1cnc2c1CC[N@H+](CCC(C)(C)C#N)C2 ZINC000933254468 642424561 /nfs/dbraw/zinc/42/45/61/642424561.db2.gz QBLGLGZNMQXNIR-UHFFFAOYSA-N 1 2 246.358 2.201 20 30 BEEDLO CCn1cnc2c1CC[N@@H+](CCC(C)(C)C#N)C2 ZINC000933254468 642424572 /nfs/dbraw/zinc/42/45/72/642424572.db2.gz QBLGLGZNMQXNIR-UHFFFAOYSA-N 1 2 246.358 2.201 20 30 BEEDLO CCOc1ccc(/C=[NH+]/CCCOC)c(O)c1 ZINC000920946217 642564639 /nfs/dbraw/zinc/56/46/39/642564639.db2.gz TXSNAZXUVOLLDX-GXDHUFHOSA-N 1 2 237.299 2.246 20 30 BEEDLO C=C(C)C[N@@H+](C)CN1CC(CC)(CC)OC1=O ZINC000180264594 642782231 /nfs/dbraw/zinc/78/22/31/642782231.db2.gz SUUQTSHNQMMGFI-UHFFFAOYSA-N 1 2 240.347 2.463 20 30 BEEDLO C=C(C)C[N@H+](C)CN1CC(CC)(CC)OC1=O ZINC000180264594 642782247 /nfs/dbraw/zinc/78/22/47/642782247.db2.gz SUUQTSHNQMMGFI-UHFFFAOYSA-N 1 2 240.347 2.463 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)OCc1ccc[nH+]c1N ZINC000922633993 644047846 /nfs/dbraw/zinc/04/78/46/644047846.db2.gz BDHSHNSKYLICPV-ZDUSSCGKSA-N 1 2 234.299 2.309 20 30 BEEDLO N#CCCCCCC(=O)OCc1ccc[nH+]c1N ZINC000922733419 644082728 /nfs/dbraw/zinc/08/27/28/644082728.db2.gz QHVNTVUIALJOOT-UHFFFAOYSA-N 1 2 247.298 2.181 20 30 BEEDLO C=CCC(C)(C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922757926 644087745 /nfs/dbraw/zinc/08/77/45/644087745.db2.gz OFZBTOODATUJHJ-UHFFFAOYSA-N 1 2 234.299 2.309 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(Cl)cs1 ZINC000194402886 644316408 /nfs/dbraw/zinc/31/64/08/644316408.db2.gz UZFWAMMVQIVXCN-UHFFFAOYSA-N 1 2 223.728 2.470 20 30 BEEDLO NC(Cc1cccnc1)=[NH+]OCC1CCCC1 ZINC000092916955 644672784 /nfs/dbraw/zinc/67/27/84/644672784.db2.gz BUWLLIUVNPIDRL-UHFFFAOYSA-N 1 2 233.315 2.103 20 30 BEEDLO C#CCC[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000795069599 644807817 /nfs/dbraw/zinc/80/78/17/644807817.db2.gz YDMOTDAQFQBJHQ-VIFPVBQESA-N 1 2 235.249 2.051 20 30 BEEDLO C#CCC[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000795069599 644807822 /nfs/dbraw/zinc/80/78/22/644807822.db2.gz YDMOTDAQFQBJHQ-VIFPVBQESA-N 1 2 235.249 2.051 20 30 BEEDLO COCC[N@@H+](CCC#N)CCSC(C)(C)C ZINC000304387987 644901069 /nfs/dbraw/zinc/90/10/69/644901069.db2.gz KPGBULVQQCJMGQ-UHFFFAOYSA-N 1 2 244.404 2.380 20 30 BEEDLO COCC[N@H+](CCC#N)CCSC(C)(C)C ZINC000304387987 644901073 /nfs/dbraw/zinc/90/10/73/644901073.db2.gz KPGBULVQQCJMGQ-UHFFFAOYSA-N 1 2 244.404 2.380 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000827650619 645082197 /nfs/dbraw/zinc/08/21/97/645082197.db2.gz RTLXKGLJHQAGMI-CYBMUJFWSA-N 1 2 234.274 2.267 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000827650619 645082203 /nfs/dbraw/zinc/08/22/03/645082203.db2.gz RTLXKGLJHQAGMI-CYBMUJFWSA-N 1 2 234.274 2.267 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000827650620 645083254 /nfs/dbraw/zinc/08/32/54/645083254.db2.gz RTLXKGLJHQAGMI-ZDUSSCGKSA-N 1 2 234.274 2.267 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000827650620 645083256 /nfs/dbraw/zinc/08/32/56/645083256.db2.gz RTLXKGLJHQAGMI-ZDUSSCGKSA-N 1 2 234.274 2.267 20 30 BEEDLO CCC(CC)C[N@H+](CCC#N)CC[S@@](C)=O ZINC000827968756 645089954 /nfs/dbraw/zinc/08/99/54/645089954.db2.gz KEKQFESEEUWQBM-MRXNPFEDSA-N 1 2 244.404 2.017 20 30 BEEDLO CCC(CC)C[N@@H+](CCC#N)CC[S@@](C)=O ZINC000827968756 645089960 /nfs/dbraw/zinc/08/99/60/645089960.db2.gz KEKQFESEEUWQBM-MRXNPFEDSA-N 1 2 244.404 2.017 20 30 BEEDLO C=C[C@@H](C)ONC(=O)NCc1c[nH+]c(C)cc1C ZINC000845614323 645373001 /nfs/dbraw/zinc/37/30/01/645373001.db2.gz AWYQVURCOMDJQG-LLVKDONJSA-N 1 2 249.314 2.004 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000847018266 645415809 /nfs/dbraw/zinc/41/58/09/645415809.db2.gz IRDZCUCJWCIBLL-JTQLQIEISA-N 1 2 247.367 2.261 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000847018266 645415816 /nfs/dbraw/zinc/41/58/16/645415816.db2.gz IRDZCUCJWCIBLL-JTQLQIEISA-N 1 2 247.367 2.261 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000848924584 645443404 /nfs/dbraw/zinc/44/34/04/645443404.db2.gz WBGOBAGAIABGFU-JTQLQIEISA-N 1 2 236.265 2.205 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000848924584 645443406 /nfs/dbraw/zinc/44/34/06/645443406.db2.gz WBGOBAGAIABGFU-JTQLQIEISA-N 1 2 236.265 2.205 20 30 BEEDLO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(OC)n1 ZINC000926873856 645467573 /nfs/dbraw/zinc/46/75/73/645467573.db2.gz JYYSSELFXUZYLI-LLVKDONJSA-N 1 2 245.326 2.435 20 30 BEEDLO COc1ccnc([C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000926873848 645468087 /nfs/dbraw/zinc/46/80/87/645468087.db2.gz JTPQCCCMQPQWRX-SNVBAGLBSA-N 1 2 231.299 2.045 20 30 BEEDLO C#CC[N@@H+](CCCCF)CC(=O)OC(C)(C)C ZINC000852425623 645479890 /nfs/dbraw/zinc/47/98/90/645479890.db2.gz WAMGCWXUPLFLBO-UHFFFAOYSA-N 1 2 243.322 2.013 20 30 BEEDLO C#CC[N@H+](CCCCF)CC(=O)OC(C)(C)C ZINC000852425623 645479897 /nfs/dbraw/zinc/47/98/97/645479897.db2.gz WAMGCWXUPLFLBO-UHFFFAOYSA-N 1 2 243.322 2.013 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccnc(F)c1 ZINC000859329290 645682863 /nfs/dbraw/zinc/68/28/63/645682863.db2.gz NNNMVIWRGQESPB-SNVBAGLBSA-N 1 2 207.252 2.003 20 30 BEEDLO C#CC[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000884596170 645876666 /nfs/dbraw/zinc/87/66/66/645876666.db2.gz WRKJFGMIVSQGQQ-SNVBAGLBSA-N 1 2 204.248 2.070 20 30 BEEDLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000924697621 646092462 /nfs/dbraw/zinc/09/24/62/646092462.db2.gz BIJAMKAQNHXWSD-SECBINFHSA-N 1 2 242.282 2.101 20 30 BEEDLO CCOCCC/[NH+]=C/c1cccc(OC)c1O ZINC000060803145 711835619 /nfs/dbraw/zinc/83/56/19/711835619.db2.gz VDYMGSYNXZJZJK-GXDHUFHOSA-N 1 2 237.299 2.246 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000381268993 710614625 /nfs/dbraw/zinc/61/46/25/710614625.db2.gz UYVKIIIKXRJDMF-SSDOTTSWSA-N 1 2 242.681 2.434 20 30 BEEDLO N#CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000381545191 710653797 /nfs/dbraw/zinc/65/37/97/710653797.db2.gz JWBHQFQGHHFQDT-UHFFFAOYSA-N 1 2 239.662 2.251 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001043535432 710809445 /nfs/dbraw/zinc/80/94/45/710809445.db2.gz WRQJPEDNXWTJEJ-ZDUSSCGKSA-N 1 2 248.370 2.061 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C2(C)CC(=C)C2)C1 ZINC001043810927 710814778 /nfs/dbraw/zinc/81/47/78/710814778.db2.gz LPVFZCDPRSDXQX-UHFFFAOYSA-N 1 2 248.370 2.061 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1c(O)cccc1F ZINC000903109608 710892489 /nfs/dbraw/zinc/89/24/89/710892489.db2.gz SNRUZCXNUOUGMJ-VIFPVBQESA-N 1 2 234.274 2.486 20 30 BEEDLO N#CCCNc1cc[nH+]c2c(O)cccc12 ZINC000390780736 711134762 /nfs/dbraw/zinc/13/47/62/711134762.db2.gz JPGRLQGMGWCNNB-UHFFFAOYSA-N 1 2 213.240 2.266 20 30 BEEDLO Nc1nc2c(s1)C(=[NH+]OCC1CC1)CCC2 ZINC000393910603 711178498 /nfs/dbraw/zinc/17/84/98/711178498.db2.gz MVOGIQXYDHNKAY-UHFFFAOYSA-N 1 2 237.328 2.023 20 30 BEEDLO CC#CC[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000930590419 711697455 /nfs/dbraw/zinc/69/74/55/711697455.db2.gz UKQHUBYBEGTPNZ-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000930590419 711697457 /nfs/dbraw/zinc/69/74/57/711697457.db2.gz UKQHUBYBEGTPNZ-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO CC#CC[N@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC000897166961 711784485 /nfs/dbraw/zinc/78/44/85/711784485.db2.gz FMXDPXUZTJDVIC-UHFFFAOYSA-N 1 2 231.343 2.229 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC000897166961 711784486 /nfs/dbraw/zinc/78/44/86/711784486.db2.gz FMXDPXUZTJDVIC-UHFFFAOYSA-N 1 2 231.343 2.229 20 30 BEEDLO C=C/C=C\CC[N@H+](CC=C)CC(=O)OCC ZINC000713746398 712471219 /nfs/dbraw/zinc/47/12/19/712471219.db2.gz MXXCMGXWRUQVQM-FPLPWBNLSA-N 1 2 223.316 2.170 20 30 BEEDLO C=C/C=C\CC[N@@H+](CC=C)CC(=O)OCC ZINC000713746398 712471220 /nfs/dbraw/zinc/47/12/20/712471220.db2.gz MXXCMGXWRUQVQM-FPLPWBNLSA-N 1 2 223.316 2.170 20 30 BEEDLO C=CC[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000715023477 712503795 /nfs/dbraw/zinc/50/37/95/712503795.db2.gz MXVVWCJRIZQPAZ-MRVPVSSYSA-N 1 2 209.318 2.424 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715417510 712518304 /nfs/dbraw/zinc/51/83/04/712518304.db2.gz YLCBARADADAOGQ-FPMFFAJLSA-N 1 2 234.343 2.180 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715417510 712518305 /nfs/dbraw/zinc/51/83/05/712518305.db2.gz YLCBARADADAOGQ-FPMFFAJLSA-N 1 2 234.343 2.180 20 30 BEEDLO C=CCC1(O)CC[NH+](CC(F)(F)CC)CC1 ZINC000717458669 712659355 /nfs/dbraw/zinc/65/93/55/712659355.db2.gz DFKDJOZAZGFTLT-UHFFFAOYSA-N 1 2 233.302 2.435 20 30 BEEDLO C=C(Br)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000720450647 712844104 /nfs/dbraw/zinc/84/41/04/712844104.db2.gz ZBDBMBKGCQLROF-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@H+]1CCO[C@@H](C)CC1 ZINC000720450647 712844106 /nfs/dbraw/zinc/84/41/06/712844106.db2.gz ZBDBMBKGCQLROF-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO CCCCc1[nH]c(CN(CC)CCC#N)c[nH+]1 ZINC001141070226 960862754 /nfs/dbraw/zinc/86/27/54/960862754.db2.gz SLNJFKJZIUKLKC-UHFFFAOYSA-N 1 2 234.347 2.488 20 30 BEEDLO CCCCc1[nH]cc(CN(CC)CCC#N)[nH+]1 ZINC001141070226 960862768 /nfs/dbraw/zinc/86/27/68/960862768.db2.gz SLNJFKJZIUKLKC-UHFFFAOYSA-N 1 2 234.347 2.488 20 30 BEEDLO CC(C)(C)c1nc[nH]c1C[NH+]1CC(CC#N)C1 ZINC001142209102 961344095 /nfs/dbraw/zinc/34/40/95/961344095.db2.gz IBTOKKXYNJYRKD-UHFFFAOYSA-N 1 2 232.331 2.053 20 30 BEEDLO C#CCNc1cc(N(CCC)CCC)nc[nH+]1 ZINC001155654216 963140948 /nfs/dbraw/zinc/14/09/48/963140948.db2.gz OPQXNKBTLJJWFM-UHFFFAOYSA-N 1 2 232.331 2.148 20 30 BEEDLO C#CCNc1cc(N(CCC)CCC)[nH+]cn1 ZINC001155654216 963140956 /nfs/dbraw/zinc/14/09/56/963140956.db2.gz OPQXNKBTLJJWFM-UHFFFAOYSA-N 1 2 232.331 2.148 20 30 BEEDLO Cc1c[nH+]c(N[C@H](C#N)CC(C)C)cc1N ZINC001160362734 964287230 /nfs/dbraw/zinc/28/72/30/964287230.db2.gz IRYNFJKMPSDVSM-JTQLQIEISA-N 1 2 218.304 2.322 20 30 BEEDLO C#CCCCNc1c[nH+]c2c(c1)CCC2 ZINC001162445780 964979954 /nfs/dbraw/zinc/97/99/54/964979954.db2.gz NLWJRXILGQWIQS-UHFFFAOYSA-N 1 2 200.285 2.396 20 30 BEEDLO C=CCC[C@H](O)CNc1ccc([NH+](C)C)cc1 ZINC001252586217 968839544 /nfs/dbraw/zinc/83/95/44/968839544.db2.gz DMBJDMSBQMHIIR-AWEZNQCLSA-N 1 2 234.343 2.492 20 30 BEEDLO C=C(C)CNc1ccc(CC(=O)OCC)c[nH+]1 ZINC001155654882 969043632 /nfs/dbraw/zinc/04/36/32/969043632.db2.gz FBMJGEMWNZNVLD-UHFFFAOYSA-N 1 2 234.299 2.175 20 30 BEEDLO C[C@H](C[N@@H+]1CC[C@](C)(C#N)C1)C(F)(F)F ZINC001208899475 969291222 /nfs/dbraw/zinc/29/12/22/969291222.db2.gz GEROFVCRTBLCIQ-RKDXNWHRSA-N 1 2 220.238 2.420 20 30 BEEDLO C[C@H](C[N@H+]1CC[C@](C)(C#N)C1)C(F)(F)F ZINC001208899475 969291233 /nfs/dbraw/zinc/29/12/33/969291233.db2.gz GEROFVCRTBLCIQ-RKDXNWHRSA-N 1 2 220.238 2.420 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1cccc(OCC)n1 ZINC000309040270 1166469771 /nfs/dbraw/zinc/46/97/71/1166469771.db2.gz KTJUHROFSBRXFM-UHFFFAOYSA-N 1 2 226.707 2.322 20 30 BEEDLO C[C@@H](C#N)[N@H+](C)CC1C[C@@H](C)O[C@H](C)C1 ZINC000724864660 1166536095 /nfs/dbraw/zinc/53/60/95/1166536095.db2.gz UCXDEOSBXSVFBN-HBNTYKKESA-N 1 2 210.321 2.034 20 30 BEEDLO C[C@@H](C#N)[N@@H+](C)CC1C[C@@H](C)O[C@H](C)C1 ZINC000724864660 1166536105 /nfs/dbraw/zinc/53/61/05/1166536105.db2.gz UCXDEOSBXSVFBN-HBNTYKKESA-N 1 2 210.321 2.034 20 30 BEEDLO CC(C)(C)O[NH+]=C1CCCc2nc(N)sc21 ZINC000378851450 1166564509 /nfs/dbraw/zinc/56/45/09/1166564509.db2.gz FXBIQUNORHYNBA-UHFFFAOYSA-N 1 2 239.344 2.411 20 30 BEEDLO CC[C@H](C#N)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173590383 975440974 /nfs/dbraw/zinc/44/09/74/975440974.db2.gz HQGQEKLJIFWNGF-VOMCLLRMSA-N 1 2 205.305 2.351 20 30 BEEDLO Cc1nnn([NH+]=CC2(C)CCCC2)c1C ZINC001333199346 975548199 /nfs/dbraw/zinc/54/81/99/975548199.db2.gz GXEUFEBSFZCBHZ-UHFFFAOYSA-N 1 2 206.293 2.309 20 30 BEEDLO CC[NH+]1CC(Oc2cccc(Cl)c2C#N)C1 ZINC001227788567 975683874 /nfs/dbraw/zinc/68/38/74/975683874.db2.gz BLWMKMZMKYSZAW-UHFFFAOYSA-N 1 2 236.702 2.295 20 30 BEEDLO C=C[C@@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920567 977382612 /nfs/dbraw/zinc/38/26/12/977382612.db2.gz PGPLLLAKGBSRTM-SECBINFHSA-N 1 2 217.268 2.321 20 30 BEEDLO C=CCCCCCN(C)c1cc(N)nc[nH+]1 ZINC001336522393 977747281 /nfs/dbraw/zinc/74/72/81/977747281.db2.gz ZNDUOWLLKHYBQA-UHFFFAOYSA-N 1 2 220.320 2.241 20 30 BEEDLO Cc1coc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC001237649659 980002686 /nfs/dbraw/zinc/00/26/86/980002686.db2.gz POBVFNBNXIDZQN-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO CC1(C)CC(=O)C=C(Nc2cc(N)c(F)c[nH+]2)C1 ZINC001169946530 1168501163 /nfs/dbraw/zinc/50/11/63/1168501163.db2.gz CNHXPTHSSHJXQQ-UHFFFAOYSA-N 1 2 249.289 2.488 20 30 BEEDLO COc1nc(C[NH2+]CC2(C#N)CCC2)ccc1C ZINC001182435890 1168740522 /nfs/dbraw/zinc/74/05/22/1168740522.db2.gz XIMJWGZRGDDLFQ-UHFFFAOYSA-N 1 2 245.326 2.182 20 30 BEEDLO C=CCC[C@H](O)CNc1ccc(C)[nH+]c1C ZINC001252586563 983837602 /nfs/dbraw/zinc/83/76/02/983837602.db2.gz JXPYJXHFRKZUFA-LBPRGKRZSA-N 1 2 220.316 2.437 20 30 BEEDLO N#CC1(CNc2ccn3cc[nH+]c3c2)CCC1 ZINC001162413262 1169450404 /nfs/dbraw/zinc/45/04/04/1169450404.db2.gz LYVRCEYOXKPEOS-UHFFFAOYSA-N 1 2 226.283 2.440 20 30 BEEDLO C#Cc1cc(Nc2cccc(C#N)c2C)cc[nH+]1 ZINC001216173403 970961244 /nfs/dbraw/zinc/96/12/44/970961244.db2.gz FTPMZUVCAPMCFT-UHFFFAOYSA-N 1 2 233.274 2.409 20 30 BEEDLO Cc1c[nH+]c(C)c(Nc2cnc(C#N)cn2)c1 ZINC000404493487 971172731 /nfs/dbraw/zinc/17/27/31/971172731.db2.gz RXCKVCHYDBESOS-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H](C)CCC)C(=O)OCC ZINC001257309999 971201894 /nfs/dbraw/zinc/20/18/94/971201894.db2.gz OOCFHFKGZDDKPJ-LOWVWBTDSA-N 1 2 225.332 2.272 20 30 BEEDLO Cc1noc(C)c1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000405147042 971203127 /nfs/dbraw/zinc/20/31/27/971203127.db2.gz AKTUPKOAEKNDSL-QMMMGPOBSA-N 1 2 221.304 2.492 20 30 BEEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCCC1)C(=O)OCC ZINC001257346073 971257249 /nfs/dbraw/zinc/25/72/49/971257249.db2.gz JRFSQNIHNXEJKK-GWCFXTLKSA-N 1 2 223.316 2.026 20 30 BEEDLO CCOC(=[NH2+])CCCCO[C@@H]1C=CC(=O)C1 ZINC001224967568 974111188 /nfs/dbraw/zinc/11/11/88/974111188.db2.gz WYLREASKDKYXFH-LLVKDONJSA-N 1 2 225.288 2.085 20 30 BEEDLO C#C[C@@H](CCCC)Oc1cc(N)cc[nH+]1 ZINC001218353886 971725582 /nfs/dbraw/zinc/72/55/82/971725582.db2.gz NOSXYTBVEDEELS-NSHDSACASA-N 1 2 204.273 2.235 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172220990 974450897 /nfs/dbraw/zinc/45/08/97/974450897.db2.gz NNZCFBRREMUXJY-PSEXLTFBSA-N 1 2 222.332 2.368 20 30 BEEDLO CC(C)C[C@H](C#N)[NH2+][C@@H]1CCCOCC1 ZINC001170792434 971831620 /nfs/dbraw/zinc/83/16/20/971831620.db2.gz NKJMZZRCZHMAKE-VXGBXAGGSA-N 1 2 210.321 2.083 20 30 BEEDLO CSc1nc(NCCCS)cc(C)[nH+]1 ZINC001159866206 972156373 /nfs/dbraw/zinc/15/63/73/972156373.db2.gz SCCNIBYRMDERIG-UHFFFAOYSA-N 1 2 229.374 2.239 20 30 BEEDLO C#Cc1cc(Nc2cc(C)cnc2F)cc[nH+]1 ZINC001211496291 957052171 /nfs/dbraw/zinc/05/21/71/957052171.db2.gz WEHILBFSTCVUBR-UHFFFAOYSA-N 1 2 227.242 2.071 20 30 BEEDLO N#C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001140341542 958238421 /nfs/dbraw/zinc/23/84/21/958238421.db2.gz VEIJLYZALNYXIR-SECBINFHSA-N 1 2 236.702 2.391 20 30 BEEDLO N#C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140341542 958238433 /nfs/dbraw/zinc/23/84/33/958238433.db2.gz VEIJLYZALNYXIR-SECBINFHSA-N 1 2 236.702 2.391 20 30 BEEDLO CC#CC[C@@H](CC)OCCn1cc[nH+]c1 ZINC001222138257 972388144 /nfs/dbraw/zinc/38/81/44/972388144.db2.gz CNHDMFXRHZGEHU-GFCCVEGCSA-N 1 2 206.289 2.092 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000693920485 959536275 /nfs/dbraw/zinc/53/62/75/959536275.db2.gz PLYUZXHXONZPLM-LBPRGKRZSA-N 1 2 241.338 2.390 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000693920485 959536286 /nfs/dbraw/zinc/53/62/86/959536286.db2.gz PLYUZXHXONZPLM-LBPRGKRZSA-N 1 2 241.338 2.390 20 30 BEEDLO C[C@@H](C#N)[N@H+](C)C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724859830 959827429 /nfs/dbraw/zinc/82/74/29/959827429.db2.gz UCXDEOSBXSVFBN-YFKTTZPYSA-N 1 2 210.321 2.034 20 30 BEEDLO C[C@@H](C#N)[N@@H+](C)C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724859830 959827431 /nfs/dbraw/zinc/82/74/31/959827431.db2.gz UCXDEOSBXSVFBN-YFKTTZPYSA-N 1 2 210.321 2.034 20 30 BEEDLO C=CC[C@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001144017367 972483843 /nfs/dbraw/zinc/48/38/43/972483843.db2.gz KVNXTHIBKHIHPC-NSHDSACASA-N 1 2 247.342 2.328 20 30 BEEDLO C=CC[C@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001144017367 972483860 /nfs/dbraw/zinc/48/38/60/972483860.db2.gz KVNXTHIBKHIHPC-NSHDSACASA-N 1 2 247.342 2.328 20 30 BEEDLO N#CCC1C[NH+](Cc2cc(Cl)ccc2N)C1 ZINC001140716500 960526062 /nfs/dbraw/zinc/52/60/62/960526062.db2.gz QLZPZYFCQUSMOH-UHFFFAOYSA-N 1 2 235.718 2.268 20 30 BEEDLO Cc1ncc(C[N@H+](CCC#N)C2CCCC2)cn1 ZINC001203111638 961095482 /nfs/dbraw/zinc/09/54/82/961095482.db2.gz OBANIVWNOAUOEH-UHFFFAOYSA-N 1 2 244.342 2.443 20 30 BEEDLO Cc1ncc(C[N@@H+](CCC#N)C2CCCC2)cn1 ZINC001203111638 961095503 /nfs/dbraw/zinc/09/55/03/961095503.db2.gz OBANIVWNOAUOEH-UHFFFAOYSA-N 1 2 244.342 2.443 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccn3ccnc23)C1 ZINC001142960209 961858191 /nfs/dbraw/zinc/85/81/91/961858191.db2.gz KNCQCEYNXMNQFP-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccn3ccnc23)C1 ZINC001142960209 961858192 /nfs/dbraw/zinc/85/81/92/961858192.db2.gz KNCQCEYNXMNQFP-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO O=C1C=C2C[N@H+]([C@H]3C[C@H]4C[C@H]4C3)CCC2S1 ZINC001167928050 962028741 /nfs/dbraw/zinc/02/87/41/962028741.db2.gz PCOVNGDYOWFPEP-LLHIFLOGSA-N 1 2 235.352 2.059 20 30 BEEDLO O=C1C=C2C[N@@H+]([C@H]3C[C@H]4C[C@H]4C3)CCC2S1 ZINC001167928050 962028754 /nfs/dbraw/zinc/02/87/54/962028754.db2.gz PCOVNGDYOWFPEP-LLHIFLOGSA-N 1 2 235.352 2.059 20 30 BEEDLO O=C1C=C2C[N@H+]([C@H]3C[C@H]4C[C@H]4C3)CC[C@H]2S1 ZINC001167928050 962028777 /nfs/dbraw/zinc/02/87/77/962028777.db2.gz PCOVNGDYOWFPEP-LLHIFLOGSA-N 1 2 235.352 2.059 20 30 BEEDLO O=C1C=C2C[N@@H+]([C@H]3C[C@H]4C[C@H]4C3)CC[C@H]2S1 ZINC001167928050 962028799 /nfs/dbraw/zinc/02/87/99/962028799.db2.gz PCOVNGDYOWFPEP-LLHIFLOGSA-N 1 2 235.352 2.059 20 30 BEEDLO CC(C)(C)C(=[NH2+])Nc1ncnc2[nH]cc(C#N)c21 ZINC001155176330 962996470 /nfs/dbraw/zinc/99/64/70/962996470.db2.gz ZLHBERHDFUFHIJ-UHFFFAOYSA-N 1 2 242.286 2.265 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cncn1CC1CCC1 ZINC001255159977 1169822640 /nfs/dbraw/zinc/82/26/40/1169822640.db2.gz DESSSPFALYVNEL-ZDUSSCGKSA-N 1 2 246.358 2.465 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCCc2nccnc21 ZINC001255160324 1169822883 /nfs/dbraw/zinc/82/28/83/1169822883.db2.gz ILGPDJAYBMNUES-JQWIXIFHSA-N 1 2 230.315 2.136 20 30 BEEDLO C=C(C)C(C)(C)C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001156544773 963380143 /nfs/dbraw/zinc/38/01/43/963380143.db2.gz YOXJDPHSDMPPAV-UHFFFAOYSA-N 1 2 235.331 2.191 20 30 BEEDLO C=C(C)C(C)(C)C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001156544773 963380156 /nfs/dbraw/zinc/38/01/56/963380156.db2.gz YOXJDPHSDMPPAV-UHFFFAOYSA-N 1 2 235.331 2.191 20 30 BEEDLO C=C[C@@H](CO)Nc1cc(SCC)cc[nH+]1 ZINC001158818470 963932900 /nfs/dbraw/zinc/93/29/00/963932900.db2.gz BYQAFZWGSHPXGK-VIFPVBQESA-N 1 2 224.329 2.152 20 30 BEEDLO C/C(=C\C=C\[NH3+])N[C@H](C#N)c1ccccc1 ZINC001161717815 964710468 /nfs/dbraw/zinc/71/04/68/964710468.db2.gz HVNOKARLGKSUBN-ODUOCFQISA-N 1 2 213.284 2.217 20 30 BEEDLO N#CC1(c2cc[nH+]c(NC3CCOCC3)c2)CC1 ZINC001161862953 964794972 /nfs/dbraw/zinc/79/49/72/964794972.db2.gz PQHBJFKUSOGIQU-UHFFFAOYSA-N 1 2 243.310 2.228 20 30 BEEDLO N#CCc1cc[nH+]c(N[C@@H]2C[C@@]23CCCOC3)c1 ZINC001162374886 964948721 /nfs/dbraw/zinc/94/87/21/964948721.db2.gz FQWZXTRXEGHPGZ-TZMCWYRMSA-N 1 2 243.310 2.129 20 30 BEEDLO N#CCc1cc[nH+]c(N[C@H]2C[C@@]23CCCOC3)c1 ZINC001162374883 964950472 /nfs/dbraw/zinc/95/04/72/964950472.db2.gz FQWZXTRXEGHPGZ-GXTWGEPZSA-N 1 2 243.310 2.129 20 30 BEEDLO C#CC1(Nc2cc(N(C)C)nc[nH+]2)CCCCC1 ZINC001162480029 964994067 /nfs/dbraw/zinc/99/40/67/964994067.db2.gz KNMYJOQETDDNOD-UHFFFAOYSA-N 1 2 244.342 2.291 20 30 BEEDLO C#CC1(Nc2cc(N(C)C)[nH+]cn2)CCCCC1 ZINC001162480029 964994071 /nfs/dbraw/zinc/99/40/71/964994071.db2.gz KNMYJOQETDDNOD-UHFFFAOYSA-N 1 2 244.342 2.291 20 30 BEEDLO C=C(C)CNc1nc(NC2CC2)c(OC)c[nH+]1 ZINC001163372228 965374960 /nfs/dbraw/zinc/37/49/60/965374960.db2.gz IVSPDQCGEXHXJK-UHFFFAOYSA-N 1 2 234.303 2.048 20 30 BEEDLO C#CCNc1cc(C)[nH+]c(OC(F)F)c1 ZINC001163371880 965375431 /nfs/dbraw/zinc/37/54/31/965375431.db2.gz BEIXVEFHGLOAPC-UHFFFAOYSA-N 1 2 212.199 2.037 20 30 BEEDLO C#C[C@@H]1CCCN(c2[nH+]ccc(F)c2C)C1 ZINC001167006583 966520174 /nfs/dbraw/zinc/52/01/74/966520174.db2.gz SYWSJCKWTFVGFS-LLVKDONJSA-N 1 2 218.275 2.379 20 30 BEEDLO C#C[C@H]1CCCN(c2[nH+]ccc(F)c2C)C1 ZINC001167006584 966520718 /nfs/dbraw/zinc/52/07/18/966520718.db2.gz SYWSJCKWTFVGFS-NSHDSACASA-N 1 2 218.275 2.379 20 30 BEEDLO O=C1C=C2C[N@@H+](Cc3ccco3)CC[C@@H]2S1 ZINC001203273229 966588711 /nfs/dbraw/zinc/58/87/11/966588711.db2.gz XEVGSSMEVIRQCT-NSHDSACASA-N 1 2 235.308 2.054 20 30 BEEDLO O=C1C=C2C[N@H+](Cc3ccco3)CC[C@@H]2S1 ZINC001203273229 966588722 /nfs/dbraw/zinc/58/87/22/966588722.db2.gz XEVGSSMEVIRQCT-NSHDSACASA-N 1 2 235.308 2.054 20 30 BEEDLO C#Cc1ccc(Nc2ccc(NC)[nH+]c2)cn1 ZINC001203455140 966653847 /nfs/dbraw/zinc/65/38/47/966653847.db2.gz QBUKNIFXLWALBU-UHFFFAOYSA-N 1 2 224.267 2.243 20 30 BEEDLO COc1ccc(C)c(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001237711875 966692868 /nfs/dbraw/zinc/69/28/68/966692868.db2.gz WRAFEGAEQIUJFX-LBPRGKRZSA-N 1 2 230.311 2.349 20 30 BEEDLO COc1ccc(C)c(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001237711875 966692875 /nfs/dbraw/zinc/69/28/75/966692875.db2.gz WRAFEGAEQIUJFX-LBPRGKRZSA-N 1 2 230.311 2.349 20 30 BEEDLO C#Cc1nccnc1Nc1cc(C)c[nH+]c1C ZINC001203656238 966722354 /nfs/dbraw/zinc/72/23/54/966722354.db2.gz NLPDKDFUBDXYDR-UHFFFAOYSA-N 1 2 224.267 2.213 20 30 BEEDLO CNc1ccc(Nc2cc(C#N)ccc2O)c[nH+]1 ZINC001203457932 966879543 /nfs/dbraw/zinc/87/95/43/966879543.db2.gz DUEJJDLRIGYJEC-UHFFFAOYSA-N 1 2 240.266 2.444 20 30 BEEDLO O=C1C=C2C[N@@H+](Cc3ccoc3)CC[C@@H]2S1 ZINC001204242092 966938201 /nfs/dbraw/zinc/93/82/01/966938201.db2.gz SUVKMLGIQYESHD-NSHDSACASA-N 1 2 235.308 2.054 20 30 BEEDLO N#C[C@H]1CCC[N@H+](CCOCC2CCCC2)C1 ZINC000693121610 967107350 /nfs/dbraw/zinc/10/73/50/967107350.db2.gz RCRVUAAWUWUJNI-CQSZACIVSA-N 1 2 236.359 2.429 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](CCOCC2CCCC2)C1 ZINC000693121610 967107359 /nfs/dbraw/zinc/10/73/59/967107359.db2.gz RCRVUAAWUWUJNI-CQSZACIVSA-N 1 2 236.359 2.429 20 30 BEEDLO C#Cc1cc(Nc2c(O)cccc2F)cc[nH+]1 ZINC001249989691 967235804 /nfs/dbraw/zinc/23/58/04/967235804.db2.gz ZHISDYBISMWJBR-UHFFFAOYSA-N 1 2 228.226 2.073 20 30 BEEDLO N#Cc1cccnc1Nc1ccn2cc[nH+]c2c1 ZINC001204951248 967250893 /nfs/dbraw/zinc/25/08/93/967250893.db2.gz POUSXOTWEAZALA-UHFFFAOYSA-N 1 2 235.250 2.345 20 30 BEEDLO N#Cc1cc(F)cc(C[NH+]2CCC(C#N)CC2)c1 ZINC000163115163 967419142 /nfs/dbraw/zinc/41/91/42/967419142.db2.gz DVWISRMILWBEAP-UHFFFAOYSA-N 1 2 243.285 2.433 20 30 BEEDLO N#CCc1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001240215856 967425455 /nfs/dbraw/zinc/42/54/55/967425455.db2.gz XRHRWPNLFQFCFF-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO N#Cc1ccc(CCn2cc[nH+]c2)c(F)c1 ZINC001250316542 967681361 /nfs/dbraw/zinc/68/13/61/967681361.db2.gz LVTXWONLMUDBTO-UHFFFAOYSA-N 1 2 215.231 2.137 20 30 BEEDLO COc1cc(C#N)ccc1CCn1cc[nH+]c1 ZINC001250319047 967693153 /nfs/dbraw/zinc/69/31/53/967693153.db2.gz PUNNATWUTAJJLQ-UHFFFAOYSA-N 1 2 227.267 2.006 20 30 BEEDLO C[C@H]1CC(=O)C=C(CCn2cc[nH+]c2)C1 ZINC001250319004 967694604 /nfs/dbraw/zinc/69/46/04/967694604.db2.gz OWHBUICGOSIJMY-SNVBAGLBSA-N 1 2 204.273 2.199 20 30 BEEDLO C#Cc1cc(Nc2cnc3c(ccn3C)c2)cc[nH+]1 ZINC001205672551 967764546 /nfs/dbraw/zinc/76/45/46/967764546.db2.gz PSNMVNABBRANOS-UHFFFAOYSA-N 1 2 248.289 2.115 20 30 BEEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1cnoc1)CC2 ZINC001205677436 967770411 /nfs/dbraw/zinc/77/04/11/967770411.db2.gz JFRNLNSHEHSYJC-UHFFFAOYSA-N 1 2 239.278 2.105 20 30 BEEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1cnoc1)CC2 ZINC001205677436 967770421 /nfs/dbraw/zinc/77/04/21/967770421.db2.gz JFRNLNSHEHSYJC-UHFFFAOYSA-N 1 2 239.278 2.105 20 30 BEEDLO Cn1c[nH+]c2ccc(NC3(C#N)CCC3)cc21 ZINC001162309387 967800390 /nfs/dbraw/zinc/80/03/90/967800390.db2.gz ISKMSGAPMMOMHX-UHFFFAOYSA-N 1 2 226.283 2.431 20 30 BEEDLO CC[C@H](C#N)[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168761377 967963566 /nfs/dbraw/zinc/96/35/66/967963566.db2.gz BZVSFTRUXXMCAB-XSRFYTQQSA-N 1 2 238.331 2.000 20 30 BEEDLO Cc1nc(C[N@@H+]2CCC[C@H](C#N)CC2)co1 ZINC001206074123 968042125 /nfs/dbraw/zinc/04/21/25/968042125.db2.gz MQDZBLUBARAVTM-NSHDSACASA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1nc(C[N@H+]2CCC[C@H](C#N)CC2)co1 ZINC001206074123 968042136 /nfs/dbraw/zinc/04/21/36/968042136.db2.gz MQDZBLUBARAVTM-NSHDSACASA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1nc(C[N@@H+]2CCC[C@@H](C#N)CC2)co1 ZINC001206074122 968044135 /nfs/dbraw/zinc/04/41/35/968044135.db2.gz MQDZBLUBARAVTM-LLVKDONJSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1nc(C[N@H+]2CCC[C@@H](C#N)CC2)co1 ZINC001206074122 968044142 /nfs/dbraw/zinc/04/41/42/968044142.db2.gz MQDZBLUBARAVTM-LLVKDONJSA-N 1 2 219.288 2.109 20 30 BEEDLO N#Cc1ccc(F)c(-c2ccc[nH+]c2N)c1 ZINC001250633716 968177942 /nfs/dbraw/zinc/17/79/42/968177942.db2.gz CRXLZWMICUQUIU-UHFFFAOYSA-N 1 2 213.215 2.342 20 30 BEEDLO COc1nscc1C[N@H+](C)[C@@H](C)CCC#N ZINC000723214289 968221081 /nfs/dbraw/zinc/22/10/81/968221081.db2.gz HMOVFORAOSCRHZ-VIFPVBQESA-N 1 2 239.344 2.276 20 30 BEEDLO COc1nscc1C[N@@H+](C)[C@@H](C)CCC#N ZINC000723214289 968221087 /nfs/dbraw/zinc/22/10/87/968221087.db2.gz HMOVFORAOSCRHZ-VIFPVBQESA-N 1 2 239.344 2.276 20 30 BEEDLO CC[C@@H]([NH2+][C@@H](C)CCO)c1cccc(C#N)c1O ZINC000822658673 968529167 /nfs/dbraw/zinc/52/91/67/968529167.db2.gz NYUNEOVEGDPUAZ-GXFFZTMASA-N 1 2 248.326 2.075 20 30 BEEDLO C=CCC[C@@H](O)CNc1c[nH+]ccc1OCC ZINC001252591117 968848983 /nfs/dbraw/zinc/84/89/83/968848983.db2.gz JWVHWJVFXXJWOA-LLVKDONJSA-N 1 2 236.315 2.219 20 30 BEEDLO C=CCC1(O)C[NH+](Cc2cccc(OCC)c2)C1 ZINC001207798378 968888515 /nfs/dbraw/zinc/88/85/15/968888515.db2.gz KTLBKQOTTYQDPA-UHFFFAOYSA-N 1 2 247.338 2.208 20 30 BEEDLO O=C1C=C2C[N@@H+](CCC3CC3)CC[C@@H]2S1 ZINC001208681486 969193435 /nfs/dbraw/zinc/19/34/35/969193435.db2.gz YHNNVQFRCUWMMM-NSHDSACASA-N 1 2 223.341 2.061 20 30 BEEDLO O=C1C=C2C[N@H+](CCC3CC3)CC[C@@H]2S1 ZINC001208681486 969193437 /nfs/dbraw/zinc/19/34/37/969193437.db2.gz YHNNVQFRCUWMMM-NSHDSACASA-N 1 2 223.341 2.061 20 30 BEEDLO C=C[C@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC001253586020 969265988 /nfs/dbraw/zinc/26/59/88/969265988.db2.gz IKHKXCNLQFEJGX-JTQLQIEISA-N 1 2 223.703 2.203 20 30 BEEDLO C=C[C@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC001253586020 969265994 /nfs/dbraw/zinc/26/59/94/969265994.db2.gz IKHKXCNLQFEJGX-JTQLQIEISA-N 1 2 223.703 2.203 20 30 BEEDLO C[N@H+](CCC#N)CCc1cc(F)cc(F)c1 ZINC001209126785 969351591 /nfs/dbraw/zinc/35/15/91/969351591.db2.gz LSEGHEXGMRQEAT-UHFFFAOYSA-N 1 2 224.254 2.353 20 30 BEEDLO C[N@@H+](CCC#N)CCc1cc(F)cc(F)c1 ZINC001209126785 969351594 /nfs/dbraw/zinc/35/15/94/969351594.db2.gz LSEGHEXGMRQEAT-UHFFFAOYSA-N 1 2 224.254 2.353 20 30 BEEDLO C=CCCCC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209201469 969390089 /nfs/dbraw/zinc/39/00/89/969390089.db2.gz MUZFVBFHKBVPIZ-NSHDSACASA-N 1 2 233.302 2.292 20 30 BEEDLO C=CCCCC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001209201469 969390093 /nfs/dbraw/zinc/39/00/93/969390093.db2.gz MUZFVBFHKBVPIZ-NSHDSACASA-N 1 2 233.302 2.292 20 30 BEEDLO C=CCCCC[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209201484 969390756 /nfs/dbraw/zinc/39/07/56/969390756.db2.gz NIXKELVSIFMVCZ-LLVKDONJSA-N 1 2 213.296 2.346 20 30 BEEDLO C=CCCCC[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001209201484 969390761 /nfs/dbraw/zinc/39/07/61/969390761.db2.gz NIXKELVSIFMVCZ-LLVKDONJSA-N 1 2 213.296 2.346 20 30 BEEDLO C=CCCCC[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001209201748 969391230 /nfs/dbraw/zinc/39/12/30/969391230.db2.gz QHOXYJSDAGKETB-NSHDSACASA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCCCC[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001209201748 969391238 /nfs/dbraw/zinc/39/12/38/969391238.db2.gz QHOXYJSDAGKETB-NSHDSACASA-N 1 2 233.302 2.435 20 30 BEEDLO C#CCCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001209261883 969415466 /nfs/dbraw/zinc/41/54/66/969415466.db2.gz KNGAFEUXCSCSIJ-SNVBAGLBSA-N 1 2 201.260 2.377 20 30 BEEDLO C#CCCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001209261883 969415471 /nfs/dbraw/zinc/41/54/71/969415471.db2.gz KNGAFEUXCSCSIJ-SNVBAGLBSA-N 1 2 201.260 2.377 20 30 BEEDLO C[C@H]1CCC[C@H](CC[NH+]2CC(O)(CC#N)C2)C1 ZINC001169630459 969793506 /nfs/dbraw/zinc/79/35/06/969793506.db2.gz UNZVLEJQRMIKIQ-QWHCGFSZSA-N 1 2 236.359 2.163 20 30 BEEDLO N#Cc1ncccc1Nc1cccc2[nH+]ccn21 ZINC001210140126 969809654 /nfs/dbraw/zinc/80/96/54/969809654.db2.gz SAVBYGPJYYSCSE-UHFFFAOYSA-N 1 2 235.250 2.345 20 30 BEEDLO C#C[C@](C)(CC)Nc1cc(N(C)CC)nc[nH+]1 ZINC001169693602 969813488 /nfs/dbraw/zinc/81/34/88/969813488.db2.gz XBDNAZBMBMPSLN-CYBMUJFWSA-N 1 2 232.331 2.147 20 30 BEEDLO C#C[C@](C)(CC)Nc1cc(N(C)CC)[nH+]cn1 ZINC001169693602 969813492 /nfs/dbraw/zinc/81/34/92/969813492.db2.gz XBDNAZBMBMPSLN-CYBMUJFWSA-N 1 2 232.331 2.147 20 30 BEEDLO C#C[C@@](C)(CC)Nc1cc(N(C)CC)nc[nH+]1 ZINC001169693603 969814300 /nfs/dbraw/zinc/81/43/00/969814300.db2.gz XBDNAZBMBMPSLN-ZDUSSCGKSA-N 1 2 232.331 2.147 20 30 BEEDLO C#C[C@@](C)(CC)Nc1cc(N(C)CC)[nH+]cn1 ZINC001169693603 969814303 /nfs/dbraw/zinc/81/43/03/969814303.db2.gz XBDNAZBMBMPSLN-ZDUSSCGKSA-N 1 2 232.331 2.147 20 30 BEEDLO CC[C@](C)(C#N)[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254934031 969827639 /nfs/dbraw/zinc/82/76/39/969827639.db2.gz HPCVADITXLOQJQ-OUJBWJOFSA-N 1 2 220.316 2.026 20 30 BEEDLO C#C[C@@](C)(CC)Nc1ccc(N(C)C)c[nH+]1 ZINC001169701642 969827805 /nfs/dbraw/zinc/82/78/05/969827805.db2.gz PQERRPHKZYLVHV-ZDUSSCGKSA-N 1 2 217.316 2.361 20 30 BEEDLO C=C[C@H](OCC[NH+]1CCOCC1)c1ccccc1 ZINC001210224796 969837650 /nfs/dbraw/zinc/83/76/50/969837650.db2.gz IOBBTKUXVBLZGH-HNNXBMFYSA-N 1 2 247.338 2.263 20 30 BEEDLO N#CC1([NH2+]C2CCOCC2)CCCCCC1 ZINC001255032330 969855551 /nfs/dbraw/zinc/85/55/51/969855551.db2.gz WRSRRLMREDRWHX-UHFFFAOYSA-N 1 2 222.332 2.372 20 30 BEEDLO Cc1[nH+]cc(Nc2ccc(N)cc2C#N)cc1N ZINC001210289267 969857539 /nfs/dbraw/zinc/85/75/39/969857539.db2.gz CTDTZKIOZICNDZ-UHFFFAOYSA-N 1 2 239.282 2.170 20 30 BEEDLO CN(c1ccc(O)c(C#N)c1)c1[nH+]cccc1N ZINC001210527371 969929240 /nfs/dbraw/zinc/92/92/40/969929240.db2.gz IQVHBQKOTHSVJX-UHFFFAOYSA-N 1 2 240.266 2.009 20 30 BEEDLO CCCCC(=O)[C@H](C)[NH2+][C@@H](CC)CC#N ZINC001255156089 969966885 /nfs/dbraw/zinc/96/68/85/969966885.db2.gz WNNCACPTQRXWPI-QWRGUYRKSA-N 1 2 210.321 2.416 20 30 BEEDLO CC[C@H](CC#N)N1CC[NH+](Cc2ccco2)CC1 ZINC001255171807 969979287 /nfs/dbraw/zinc/97/92/87/969979287.db2.gz BOAMIXIVFFVGHG-CYBMUJFWSA-N 1 2 247.342 2.089 20 30 BEEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001255174502 969987948 /nfs/dbraw/zinc/98/79/48/969987948.db2.gz XXFPYVUKPLTDPA-WCQYABFASA-N 1 2 230.315 2.306 20 30 BEEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001255174502 969987952 /nfs/dbraw/zinc/98/79/52/969987952.db2.gz XXFPYVUKPLTDPA-WCQYABFASA-N 1 2 230.315 2.306 20 30 BEEDLO Cc1c[nH+]c(NC2=CC(=O)C[C@H](C)C2)c(N)c1 ZINC001210766892 970018064 /nfs/dbraw/zinc/01/80/64/970018064.db2.gz RLYTXVVOJZETDF-MRVPVSSYSA-N 1 2 231.299 2.267 20 30 BEEDLO C[C@@H]1CC(=O)C=C(c2cc[nH+]c(N)c2)C1 ZINC001242740745 970044022 /nfs/dbraw/zinc/04/40/22/970044022.db2.gz HHKOPCJSNIWTEF-QMMMGPOBSA-N 1 2 202.257 2.046 20 30 BEEDLO COC1CCC([NH2+][C@](C)(C#N)C(C)C)CC1 ZINC001255448623 970181042 /nfs/dbraw/zinc/18/10/42/970181042.db2.gz YUJCLIFMJMRXDG-WXRRBKDZSA-N 1 2 224.348 2.472 20 30 BEEDLO Cc1c[nH+]c(NC[C@H]2C[C@H](F)C2)c(/C=N/O)c1 ZINC001157456461 970320848 /nfs/dbraw/zinc/32/08/48/970320848.db2.gz KPCWMIYMOABSFN-HTZZERBZSA-N 1 2 237.278 2.358 20 30 BEEDLO Cc1cc(C)c(Nc2ncc(C#N)nc2C)c[nH+]1 ZINC001213507759 970329979 /nfs/dbraw/zinc/32/99/79/970329979.db2.gz FELBMYDQWBWXRS-UHFFFAOYSA-N 1 2 239.282 2.412 20 30 BEEDLO Cc1cc(C)c(Nc2cncc(C#N)n2)c[nH+]1 ZINC001213505935 970330568 /nfs/dbraw/zinc/33/05/68/970330568.db2.gz UNKGIZMNUYQMMZ-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO Cc1cc(C)c(Nc2c(C#N)cnn2C)c[nH+]1 ZINC001213505679 970334108 /nfs/dbraw/zinc/33/41/08/970334108.db2.gz MPAJKPSMDDVHHQ-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO C[C@@H]1CC[C@@H]([N@@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170141791 970414857 /nfs/dbraw/zinc/41/48/57/970414857.db2.gz ZSFSNIFYTFFWSV-YUSALJHKSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H]1CC[C@@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001170141791 970414872 /nfs/dbraw/zinc/41/48/72/970414872.db2.gz ZSFSNIFYTFFWSV-YUSALJHKSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001170141791 970414875 /nfs/dbraw/zinc/41/48/75/970414875.db2.gz ZSFSNIFYTFFWSV-YUSALJHKSA-N 1 2 237.368 2.449 20 30 BEEDLO C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3SC(=O)C=C3C2)C1 ZINC001170141791 970414876 /nfs/dbraw/zinc/41/48/76/970414876.db2.gz ZSFSNIFYTFFWSV-YUSALJHKSA-N 1 2 237.368 2.449 20 30 BEEDLO Cc1[nH+]c2ccc(N)cc2n1-c1ccncc1C#N ZINC001214013462 970416427 /nfs/dbraw/zinc/41/64/27/970416427.db2.gz PIGMFMHQHNIQOO-UHFFFAOYSA-N 1 2 249.277 2.183 20 30 BEEDLO CN(C)c1ccc(NCC(C)(C)S)[nH+]c1 ZINC001170307296 970717965 /nfs/dbraw/zinc/71/79/65/970717965.db2.gz SQKXQYDALVHWLD-UHFFFAOYSA-N 1 2 225.361 2.268 20 30 BEEDLO Cn1c[nH+]cc1CO[C@@H](C#N)c1cccc(F)c1 ZINC001222600426 972599865 /nfs/dbraw/zinc/59/98/65/972599865.db2.gz OSQWXMYSXGHZSS-ZDUSSCGKSA-N 1 2 245.257 2.341 20 30 BEEDLO C#C[C@@H]1CCCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144624870 972889953 /nfs/dbraw/zinc/88/99/53/972889953.db2.gz UQHYLXKCQIBHNA-CYBMUJFWSA-N 1 2 239.322 2.180 20 30 BEEDLO SC1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144624574 972891201 /nfs/dbraw/zinc/89/12/01/972891201.db2.gz LCIOSZBJNWQBTP-UHFFFAOYSA-N 1 2 247.367 2.229 20 30 BEEDLO C=CCOCC(COCC=C)Oc1cc[nH+]cc1 ZINC001225291701 974367021 /nfs/dbraw/zinc/36/70/21/974367021.db2.gz WLZKXOWRNCMQMV-UHFFFAOYSA-N 1 2 249.310 2.234 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218981 974448785 /nfs/dbraw/zinc/44/87/85/974448785.db2.gz GZKRNTLQYPGWQL-WVMKXHBISA-N 1 2 222.332 2.224 20 30 BEEDLO C[C@@H]1CC[C@@H]([NH2+]C2(C#N)CCOCC2)C[C@H]1C ZINC001172369398 974651570 /nfs/dbraw/zinc/65/15/70/974651570.db2.gz LWVUDKCDWMEQJP-JHJVBQTASA-N 1 2 236.359 2.473 20 30 BEEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001331247410 974659341 /nfs/dbraw/zinc/65/93/41/974659341.db2.gz MHUKIYVVJUYOAU-CHWSQXEVSA-N 1 2 247.342 2.259 20 30 BEEDLO C[C@@H](CCCC#N)[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001172491578 974836213 /nfs/dbraw/zinc/83/62/13/974836213.db2.gz FHSGQGRVIJUUAO-QWRGUYRKSA-N 1 2 226.295 2.072 20 30 BEEDLO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001172491578 974836217 /nfs/dbraw/zinc/83/62/17/974836217.db2.gz FHSGQGRVIJUUAO-QWRGUYRKSA-N 1 2 226.295 2.072 20 30 BEEDLO CC[C@](C)(C#N)[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC001172916675 974964803 /nfs/dbraw/zinc/96/48/03/974964803.db2.gz CMTJNQVDGLIVNS-QJPTWQEYSA-N 1 2 210.321 2.226 20 30 BEEDLO CO[C@@H]1CCC[C@H]([NH2+]C2(C#N)CCCC2)C1 ZINC001172918829 974967044 /nfs/dbraw/zinc/96/70/44/974967044.db2.gz NALNUCVTIOKWRN-NWDGAFQWSA-N 1 2 222.332 2.370 20 30 BEEDLO CO[C@@H]1CCC[C@H]([NH2+][C@](C)(C#N)C(C)C)C1 ZINC001172923977 974971098 /nfs/dbraw/zinc/97/10/98/974971098.db2.gz OSYQMTCNZUZDSP-YNEHKIRRSA-N 1 2 224.348 2.472 20 30 BEEDLO CCCOC1CCC([NH+]2CC(C#N)C2)CC1 ZINC001173095693 975020008 /nfs/dbraw/zinc/02/00/08/975020008.db2.gz OUQAHYBYGJSHHS-UHFFFAOYSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@H](C#CC(=O)OC)Oc1c(C)cc[nH+]c1C ZINC001227262551 975340485 /nfs/dbraw/zinc/34/04/85/975340485.db2.gz SCMRRJJKSTXXNH-GFCCVEGCSA-N 1 2 247.294 2.032 20 30 BEEDLO C=C1O[C@H](C)C(=O)C1Oc1c(C)cc[nH+]c1C ZINC001227265694 975345444 /nfs/dbraw/zinc/34/54/44/975345444.db2.gz WFYGWLBHNHGZRZ-SECBINFHSA-N 1 2 233.267 2.297 20 30 BEEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1snnc1C ZINC001333014195 975371667 /nfs/dbraw/zinc/37/16/67/975371667.db2.gz QGCGHAIPWZAEIM-JTQLQIEISA-N 1 2 241.360 2.042 20 30 BEEDLO C=CC[N@H+](CCOC)[C@@H](C)c1snnc1C ZINC001333014195 975371676 /nfs/dbraw/zinc/37/16/76/975371676.db2.gz QGCGHAIPWZAEIM-JTQLQIEISA-N 1 2 241.360 2.042 20 30 BEEDLO CC[C@](C)(C#N)[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173454072 975393982 /nfs/dbraw/zinc/39/39/82/975393982.db2.gz PLYIUMVBDHZBGG-WCQYABFASA-N 1 2 240.347 2.390 20 30 BEEDLO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C#N)CC)C1 ZINC001173652293 975514513 /nfs/dbraw/zinc/51/45/13/975514513.db2.gz PYWPREIQABFMRL-UTUOFQBUSA-N 1 2 238.331 2.000 20 30 BEEDLO N#CC1(C[NH+]2CCC(c3ncco3)CC2)CC1 ZINC001333187787 975543803 /nfs/dbraw/zinc/54/38/03/975543803.db2.gz GBIJULAULHTERF-UHFFFAOYSA-N 1 2 231.299 2.158 20 30 BEEDLO C#Cc1cc(Nc2cc(F)ccc2OC)cc[nH+]1 ZINC001173953378 976118046 /nfs/dbraw/zinc/11/80/46/976118046.db2.gz KAGWIAMCSNGRBM-UHFFFAOYSA-N 1 2 242.253 2.376 20 30 BEEDLO C=CCOc1ccccc1OC1C[NH+](CC)C1 ZINC001229614410 976911506 /nfs/dbraw/zinc/91/15/06/976911506.db2.gz RSVGJPXTUAXPHG-UHFFFAOYSA-N 1 2 233.311 2.334 20 30 BEEDLO CC(C)[NH+]1CC(Oc2cc(F)ccc2C#N)C1 ZINC001230636124 977281362 /nfs/dbraw/zinc/28/13/62/977281362.db2.gz CZFMSHJABPLUPI-UHFFFAOYSA-N 1 2 234.274 2.169 20 30 BEEDLO C=CCc1cccc(OC[C@H]2C[N@H+](C)CCO2)c1 ZINC001231015477 977427344 /nfs/dbraw/zinc/42/73/44/977427344.db2.gz OQMNBQKJAFAHRJ-OAHLLOKOSA-N 1 2 247.338 2.125 20 30 BEEDLO C=CCc1cccc(OC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001231015477 977427346 /nfs/dbraw/zinc/42/73/46/977427346.db2.gz OQMNBQKJAFAHRJ-OAHLLOKOSA-N 1 2 247.338 2.125 20 30 BEEDLO C[N@@H+]1CCCC(=Nc2nc(Cl)ccc2C#N)C1 ZINC001175575020 977573984 /nfs/dbraw/zinc/57/39/84/977573984.db2.gz KHRNFUTVXXSRBL-UHFFFAOYSA-N 1 2 248.717 2.238 20 30 BEEDLO C[N@H+]1CCCC(=Nc2nc(Cl)ccc2C#N)C1 ZINC001175575020 977573991 /nfs/dbraw/zinc/57/39/91/977573991.db2.gz KHRNFUTVXXSRBL-UHFFFAOYSA-N 1 2 248.717 2.238 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3cccnc23)C1 ZINC001231491210 977611124 /nfs/dbraw/zinc/61/11/24/977611124.db2.gz IOACUSKSJQSACG-LLVKDONJSA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2c[nH]c3cccnc23)C1 ZINC001231491210 977611129 /nfs/dbraw/zinc/61/11/29/977611129.db2.gz IOACUSKSJQSACG-LLVKDONJSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc3cc[nH]c3cn2)C1 ZINC001231672931 977683072 /nfs/dbraw/zinc/68/30/72/977683072.db2.gz KLUJZCOUXSCDKC-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc3cc[nH]c3cn2)C1 ZINC001231672931 977683081 /nfs/dbraw/zinc/68/30/81/977683081.db2.gz KLUJZCOUXSCDKC-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C#Cc1cccc(N(C)c2[nH+]cccc2N)c1 ZINC001175973028 977840874 /nfs/dbraw/zinc/84/08/74/977840874.db2.gz OMMWLSCWNQVQRK-UHFFFAOYSA-N 1 2 223.279 2.413 20 30 BEEDLO C#CCC[NH2+][C@@H](CCCC(C)C)C(=O)OCC ZINC001176012214 977860236 /nfs/dbraw/zinc/86/02/36/977860236.db2.gz XSDLVYHMCXEHEK-ZDUSSCGKSA-N 1 2 239.359 2.357 20 30 BEEDLO Cc1oc(Nc2[nH]cc[nH+]2)c(C#N)c1C ZINC001176079586 977874305 /nfs/dbraw/zinc/87/43/05/977874305.db2.gz JHJSURUVJAKOMV-UHFFFAOYSA-N 1 2 202.217 2.235 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc2ncccc2[nH]1 ZINC001232070298 977882697 /nfs/dbraw/zinc/88/26/97/977882697.db2.gz QMOKVLQYEZWVIJ-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc2ncccc2[nH]1 ZINC001232070298 977882698 /nfs/dbraw/zinc/88/26/98/977882698.db2.gz QMOKVLQYEZWVIJ-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc3ccncc3[nH]2)C1 ZINC001232096689 977892827 /nfs/dbraw/zinc/89/28/27/977892827.db2.gz ISSHCZVUIQHMIX-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc3ccncc3[nH]2)C1 ZINC001232096689 977892833 /nfs/dbraw/zinc/89/28/33/977892833.db2.gz ISSHCZVUIQHMIX-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO COc1cc[nH+]cc1Nc1ccc(C#N)nc1C ZINC001176118525 977949044 /nfs/dbraw/zinc/94/90/44/977949044.db2.gz MZTHYIFRVFWSGE-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO COc1cc[nH+]cc1Nc1snc(C)c1C#N ZINC001176119512 977954505 /nfs/dbraw/zinc/95/45/05/977954505.db2.gz REEDDRXOEMLLSD-UHFFFAOYSA-N 1 2 246.295 2.470 20 30 BEEDLO COc1cc[nH+]cc1Nc1c(O)cccc1C#N ZINC001176124147 977956161 /nfs/dbraw/zinc/95/61/61/977956161.db2.gz JOBKAMYPXFOPKS-UHFFFAOYSA-N 1 2 241.250 2.411 20 30 BEEDLO COc1cc[nH+]cc1Nc1c(N)cccc1C#N ZINC001176125032 977961558 /nfs/dbraw/zinc/96/15/58/977961558.db2.gz XGYXGMUQLMRVIC-UHFFFAOYSA-N 1 2 240.266 2.288 20 30 BEEDLO CSc1cc(C)c(C[NH+]2CC(CC#N)C2)cn1 ZINC001232345219 978027261 /nfs/dbraw/zinc/02/72/61/978027261.db2.gz GCSWYNSGTFFMKG-UHFFFAOYSA-N 1 2 247.367 2.457 20 30 BEEDLO Cc1nnn([NH+]=C[C@H]2CC=CCC2)c1C ZINC001336996000 978118641 /nfs/dbraw/zinc/11/86/41/978118641.db2.gz VPJFOCPMYHEBNP-NSHDSACASA-N 1 2 204.277 2.085 20 30 BEEDLO N#Cc1ccnc(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001232474733 978124522 /nfs/dbraw/zinc/12/45/22/978124522.db2.gz IOUDJJJRCJJNRV-GFCCVEGCSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1ccnc(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001232474733 978124526 /nfs/dbraw/zinc/12/45/26/978124526.db2.gz IOUDJJJRCJJNRV-GFCCVEGCSA-N 1 2 233.290 2.277 20 30 BEEDLO CNc1ccccc1C[N@H+](C)CCC#N ZINC001232666797 978215384 /nfs/dbraw/zinc/21/53/84/978215384.db2.gz NMDCBKCNEMBTNX-UHFFFAOYSA-N 1 2 203.289 2.074 20 30 BEEDLO CNc1ccccc1C[N@@H+](C)CCC#N ZINC001232666797 978215390 /nfs/dbraw/zinc/21/53/90/978215390.db2.gz NMDCBKCNEMBTNX-UHFFFAOYSA-N 1 2 203.289 2.074 20 30 BEEDLO C[N@H+](CCC1CC1)Cc1cc(C#N)ccc1O ZINC001232678634 978241352 /nfs/dbraw/zinc/24/13/52/978241352.db2.gz KXMDZNSFWZJMLO-UHFFFAOYSA-N 1 2 230.311 2.496 20 30 BEEDLO C[N@@H+](CCC1CC1)Cc1cc(C#N)ccc1O ZINC001232678634 978241365 /nfs/dbraw/zinc/24/13/65/978241365.db2.gz KXMDZNSFWZJMLO-UHFFFAOYSA-N 1 2 230.311 2.496 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@]23CCOC3)c(C#N)c1 ZINC001232968841 978367788 /nfs/dbraw/zinc/36/77/88/978367788.db2.gz NUBMHKLLXXAOEU-OAHLLOKOSA-N 1 2 242.322 2.232 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@]23CCOC3)c(C#N)c1 ZINC001232968841 978367798 /nfs/dbraw/zinc/36/77/98/978367798.db2.gz NUBMHKLLXXAOEU-OAHLLOKOSA-N 1 2 242.322 2.232 20 30 BEEDLO COCOc1cccc(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001233282061 978527881 /nfs/dbraw/zinc/52/78/81/978527881.db2.gz AQSDFCLNHRVZBJ-ZDUSSCGKSA-N 1 2 246.310 2.015 20 30 BEEDLO COCOc1cccc(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001233282061 978527888 /nfs/dbraw/zinc/52/78/88/978527888.db2.gz AQSDFCLNHRVZBJ-ZDUSSCGKSA-N 1 2 246.310 2.015 20 30 BEEDLO COCOc1cccc(C[N@H+](C)CCC#N)c1 ZINC001233278188 978529353 /nfs/dbraw/zinc/52/93/53/978529353.db2.gz HVTRPZHCXRJBPL-UHFFFAOYSA-N 1 2 234.299 2.015 20 30 BEEDLO COCOc1cccc(C[N@@H+](C)CCC#N)c1 ZINC001233278188 978529356 /nfs/dbraw/zinc/52/93/56/978529356.db2.gz HVTRPZHCXRJBPL-UHFFFAOYSA-N 1 2 234.299 2.015 20 30 BEEDLO C[NH+]1CC(Oc2ccc3cccc(C#N)c3c2)C1 ZINC001233568343 978627118 /nfs/dbraw/zinc/62/71/18/978627118.db2.gz HRJQORCXCYVGEA-UHFFFAOYSA-N 1 2 238.290 2.404 20 30 BEEDLO Cc1ccc2ncc(C[NH2+][C@H](C)CC#N)n2c1 ZINC001179479096 978709240 /nfs/dbraw/zinc/70/92/40/978709240.db2.gz IQXAWSNHLXZGCS-LLVKDONJSA-N 1 2 228.299 2.035 20 30 BEEDLO CCc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)n1 ZINC001235261904 979015179 /nfs/dbraw/zinc/01/51/79/979015179.db2.gz CLBDFKSRQJMBBA-AWEZNQCLSA-N 1 2 229.327 2.380 20 30 BEEDLO CCc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)n1 ZINC001235261904 979015183 /nfs/dbraw/zinc/01/51/83/979015183.db2.gz CLBDFKSRQJMBBA-AWEZNQCLSA-N 1 2 229.327 2.380 20 30 BEEDLO N#C[C@@H]1C[N@H+](CCCC2CCCCC2)CCN1 ZINC001235913918 979203659 /nfs/dbraw/zinc/20/36/59/979203659.db2.gz PTGMMHHQHDVHIG-CQSZACIVSA-N 1 2 235.375 2.144 20 30 BEEDLO N#C[C@@H]1C[N@@H+](CCCC2CCCCC2)CCN1 ZINC001235913918 979203668 /nfs/dbraw/zinc/20/36/68/979203668.db2.gz PTGMMHHQHDVHIG-CQSZACIVSA-N 1 2 235.375 2.144 20 30 BEEDLO C#CCN(Cc1cc(OC)cc(C)[nH+]1)CC1CC1 ZINC001341175317 979263582 /nfs/dbraw/zinc/26/35/82/979263582.db2.gz IHKRNCWUIFEREO-UHFFFAOYSA-N 1 2 244.338 2.244 20 30 BEEDLO SC1CC[NH+](Cc2nccnc2Cl)CC1 ZINC001236622645 979685715 /nfs/dbraw/zinc/68/57/15/979685715.db2.gz WNXWWQCUBUXPCH-UHFFFAOYSA-N 1 2 243.763 2.024 20 30 BEEDLO C=C(C)CN(CC)C(=O)CCc1ccc(N)[nH+]c1 ZINC001183933040 979901886 /nfs/dbraw/zinc/90/18/86/979901886.db2.gz GJBDZAACFARTTR-UHFFFAOYSA-N 1 2 247.342 2.021 20 30 BEEDLO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1C#N ZINC001237482540 979910208 /nfs/dbraw/zinc/91/02/08/979910208.db2.gz LNLMWRQLGDRAQK-NSHDSACASA-N 1 2 216.284 2.189 20 30 BEEDLO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1C#N ZINC001237482540 979910215 /nfs/dbraw/zinc/91/02/15/979910215.db2.gz LNLMWRQLGDRAQK-NSHDSACASA-N 1 2 216.284 2.189 20 30 BEEDLO CCc1[nH]ncc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001237650480 980003094 /nfs/dbraw/zinc/00/30/94/980003094.db2.gz HPAAQDGNXZUQRN-LLVKDONJSA-N 1 2 232.331 2.098 20 30 BEEDLO CCc1[nH]ncc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001237650480 980003101 /nfs/dbraw/zinc/00/31/01/980003101.db2.gz HPAAQDGNXZUQRN-LLVKDONJSA-N 1 2 232.331 2.098 20 30 BEEDLO Cc1sccc1C[N@H+]1CC[C@H](C#N)C1 ZINC001237968666 980122479 /nfs/dbraw/zinc/12/24/79/980122479.db2.gz PKFZOEYWAPYLEB-SNVBAGLBSA-N 1 2 206.314 2.402 20 30 BEEDLO Cc1sccc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001237968666 980122471 /nfs/dbraw/zinc/12/24/71/980122471.db2.gz PKFZOEYWAPYLEB-SNVBAGLBSA-N 1 2 206.314 2.402 20 30 BEEDLO C=C(CC(C)C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001346642860 980874954 /nfs/dbraw/zinc/87/49/54/980874954.db2.gz HEIWQEHJFPUQHK-GFCCVEGCSA-N 1 2 249.358 2.238 20 30 BEEDLO N#CCc1ccnc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240213291 981160876 /nfs/dbraw/zinc/16/08/76/981160876.db2.gz AZCAXZFOLKDYOW-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO N#Cc1cnccc1-c1ccc2[nH+]ccn2c1 ZINC001240219371 981170079 /nfs/dbraw/zinc/17/00/79/981170079.db2.gz JDYZJESRLIBOTN-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO N#CCc1cccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240495929 981415255 /nfs/dbraw/zinc/41/52/55/981415255.db2.gz AJLGKRWEQVSTOG-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO N#Cc1ccnc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240496876 981417960 /nfs/dbraw/zinc/41/79/60/981417960.db2.gz QNSULSRCIARMOC-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001349403879 981546760 /nfs/dbraw/zinc/54/67/60/981546760.db2.gz MVKNUYZYCRFBMW-LBPRGKRZSA-N 1 2 249.358 2.214 20 30 BEEDLO C=CCOC(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001194281224 981607543 /nfs/dbraw/zinc/60/75/43/981607543.db2.gz NSMIJTMSAUMHCD-UHFFFAOYSA-N 1 2 231.255 2.377 20 30 BEEDLO C=CCOC(=O)NCc1c[nH+]c2ccc(C)cn12 ZINC001194328379 981674920 /nfs/dbraw/zinc/67/49/20/981674920.db2.gz PEEJPQRIEZEHFT-UHFFFAOYSA-N 1 2 245.282 2.055 20 30 BEEDLO N#Cc1ccc(F)cc1Nc1ccc(N)[nH+]c1 ZINC001201287148 983166830 /nfs/dbraw/zinc/16/68/30/983166830.db2.gz WAXNKYFKGYBYRI-UHFFFAOYSA-N 1 2 228.230 2.418 20 30 BEEDLO CNc1ccc(C#N)cc1Nc1ccc(N)[nH+]c1 ZINC001201291894 983169236 /nfs/dbraw/zinc/16/92/36/983169236.db2.gz HNEWSKMDXKWWOG-UHFFFAOYSA-N 1 2 239.282 2.321 20 30 BEEDLO Cc1oc(Nc2ccc(N)[nH+]c2)c(C#N)c1C ZINC001201275615 983177537 /nfs/dbraw/zinc/17/75/37/983177537.db2.gz HEGVKRHHUXIFGT-UHFFFAOYSA-N 1 2 228.255 2.489 20 30 BEEDLO CC(C)[NH2+]c1ccc(-n2cc(N)c(C#N)n2)cc1 ZINC001201488815 983259482 /nfs/dbraw/zinc/25/94/82/983259482.db2.gz JCKAMHHBQNZDMW-UHFFFAOYSA-N 1 2 241.298 2.146 20 30 BEEDLO C#Cc1cc(Nc2cc(C#N)ccc2OC)cc[nH+]1 ZINC001201577879 983340878 /nfs/dbraw/zinc/34/08/78/983340878.db2.gz BABLPWMCDKAQFV-UHFFFAOYSA-N 1 2 249.273 2.109 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(Br)c[nH]1 ZINC001355311611 983469235 /nfs/dbraw/zinc/46/92/35/983469235.db2.gz GDNQRCZWHIRRCD-UHFFFAOYSA-N 1 2 244.136 2.180 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(Br)c[nH]1 ZINC001355311611 983469238 /nfs/dbraw/zinc/46/92/38/983469238.db2.gz GDNQRCZWHIRRCD-UHFFFAOYSA-N 1 2 244.136 2.180 20 30 BEEDLO N#Cc1ncccc1-c1ccn2cc[nH+]c2c1 ZINC001242310026 983536928 /nfs/dbraw/zinc/53/69/28/983536928.db2.gz PDMHLQUEXRCKGI-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO C=C[C@@](C)(O)CNc1ccc([NH+](C)C)cc1 ZINC001252538099 983805530 /nfs/dbraw/zinc/80/55/30/983805530.db2.gz BINFGMOUHIRQKF-CYBMUJFWSA-N 1 2 220.316 2.102 20 30 BEEDLO C=CCC[C@H](O)CNc1c[nH+]c(C)cc1C ZINC001252591688 983841623 /nfs/dbraw/zinc/84/16/23/983841623.db2.gz ZMRZWPCWIBQIFS-LBPRGKRZSA-N 1 2 220.316 2.437 20 30 BEEDLO N#Cc1cc(F)ccc1-c1cc(N)cc[nH+]1 ZINC001242577954 983885561 /nfs/dbraw/zinc/88/55/61/983885561.db2.gz FQDNOSNKLQYZRH-UHFFFAOYSA-N 1 2 213.215 2.342 20 30 BEEDLO Cc1ccc(C2=CC(=O)C[C@H](C)C2)[nH+]c1N ZINC001242736808 984082736 /nfs/dbraw/zinc/08/27/36/984082736.db2.gz JHDCDFBNALJDAJ-MRVPVSSYSA-N 1 2 216.284 2.355 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc2c(C#N)c[nH]c2c1 ZINC001243066894 984478001 /nfs/dbraw/zinc/47/80/01/984478001.db2.gz CTGJTSULXJZAHP-UHFFFAOYSA-N 1 2 222.251 2.440 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001446813443 984678161 /nfs/dbraw/zinc/67/81/61/984678161.db2.gz ZPVHVBOWHXJXPU-JTQLQIEISA-N 1 2 235.331 2.122 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(C(C)C)no1 ZINC000692031366 985217273 /nfs/dbraw/zinc/21/72/73/985217273.db2.gz IFLXUPVQAZSFRU-LBPRGKRZSA-N 1 2 221.304 2.085 20 30 BEEDLO CNc1cc(-c2ccc(C#N)cc2N)cc[nH+]1 ZINC001244088272 985802882 /nfs/dbraw/zinc/80/28/82/985802882.db2.gz IKMGBYRXJDWFCW-UHFFFAOYSA-N 1 2 224.267 2.244 20 30 BEEDLO N#Cc1ccc(-c2cccc3[nH+]ccn32)c(N)c1 ZINC001244089270 985804539 /nfs/dbraw/zinc/80/45/39/985804539.db2.gz SZXGDFQUQFVOFZ-UHFFFAOYSA-N 1 2 234.262 2.455 20 30 BEEDLO C=C/C(=[NH+]\COC)c1cc(F)cc(NC)c1 ZINC001244826124 986358332 /nfs/dbraw/zinc/35/83/32/986358332.db2.gz BVLGSARXBHYJOR-NTCAYCPXSA-N 1 2 222.263 2.446 20 30 BEEDLO Cc1c(CN2CCC[C@H]2C#N)[nH+]c2ccccn12 ZINC001137267374 986704348 /nfs/dbraw/zinc/70/43/48/986704348.db2.gz XORDBUKQZQVSEX-LBPRGKRZSA-N 1 2 240.310 2.131 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001254660794 986713531 /nfs/dbraw/zinc/71/35/31/986713531.db2.gz LYGBILDBKPWIMM-RCWTZXSCSA-N 1 2 214.259 2.061 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2C[C@@H](F)C[C@H]2CF)C1 ZINC001254660794 986713543 /nfs/dbraw/zinc/71/35/43/986713543.db2.gz LYGBILDBKPWIMM-RCWTZXSCSA-N 1 2 214.259 2.061 20 30 BEEDLO Cc1cc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)[nH]1 ZINC001137332386 986796194 /nfs/dbraw/zinc/79/61/94/986796194.db2.gz SBPJTRBUNMSYGW-ZDUSSCGKSA-N 1 2 217.316 2.367 20 30 BEEDLO Cc1cc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)[nH]1 ZINC001137332386 986796212 /nfs/dbraw/zinc/79/62/12/986796212.db2.gz SBPJTRBUNMSYGW-ZDUSSCGKSA-N 1 2 217.316 2.367 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137378677 986843803 /nfs/dbraw/zinc/84/38/03/986843803.db2.gz APUTVBHKDOQYNT-UHFFFAOYSA-N 1 2 228.339 2.381 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@@H+](CCC#N)CC(C)C ZINC001116433831 987567482 /nfs/dbraw/zinc/56/74/82/987567482.db2.gz GLFKGFNUZQHPPP-UHFFFAOYSA-N 1 2 234.347 2.398 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@H+](CCC#N)CC(C)C ZINC001116433831 987567494 /nfs/dbraw/zinc/56/74/94/987567494.db2.gz GLFKGFNUZQHPPP-UHFFFAOYSA-N 1 2 234.347 2.398 20 30 BEEDLO C=CCO[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001116541580 987621772 /nfs/dbraw/zinc/62/17/72/987621772.db2.gz JCYNTIZKTCBVSQ-GFCCVEGCSA-N 1 2 248.326 2.329 20 30 BEEDLO C=CCO[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001116541580 987621773 /nfs/dbraw/zinc/62/17/73/987621773.db2.gz JCYNTIZKTCBVSQ-GFCCVEGCSA-N 1 2 248.326 2.329 20 30 BEEDLO CCCCCC[C@@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001246591468 988162859 /nfs/dbraw/zinc/16/28/59/988162859.db2.gz ITRPKJVUZHQRHY-CHWSQXEVSA-N 1 2 223.364 2.143 20 30 BEEDLO CCCCC[C@H](CC)N1CC[NH2+]C[C@H]1C#N ZINC001246596686 988196130 /nfs/dbraw/zinc/19/61/30/988196130.db2.gz XRANMZXBNAUKLK-QWHCGFSZSA-N 1 2 223.364 2.143 20 30 BEEDLO CC(C)C[C@@H](C)C[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246886748 988653663 /nfs/dbraw/zinc/65/36/63/988653663.db2.gz DMEKIPWYMPSDIQ-RDBSUJKOSA-N 1 2 237.391 2.245 20 30 BEEDLO CCC[C@@H](C)CC[C@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246887464 988654147 /nfs/dbraw/zinc/65/41/47/988654147.db2.gz OQGGGFNQHKUVPI-RDBSUJKOSA-N 1 2 237.391 2.389 20 30 BEEDLO Cc1nnn([NH+]=C[C@@H](C)CC(C)C)c1C ZINC001119298745 988888658 /nfs/dbraw/zinc/88/86/58/988888658.db2.gz LCHUROSCZVROMK-VIFPVBQESA-N 1 2 208.309 2.411 20 30 BEEDLO C=CCCNC(=S)Nc1cccc2[nH+]ccn21 ZINC001247585499 988933534 /nfs/dbraw/zinc/93/35/34/988933534.db2.gz RCKCQNGVMMACMC-UHFFFAOYSA-N 1 2 246.339 2.197 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001248752130 989144690 /nfs/dbraw/zinc/14/46/90/989144690.db2.gz YKTHBCNPTMHZMA-CYBMUJFWSA-N 1 2 239.322 2.466 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H](C#N)C1 ZINC001248752130 989144694 /nfs/dbraw/zinc/14/46/94/989144694.db2.gz YKTHBCNPTMHZMA-CYBMUJFWSA-N 1 2 239.322 2.466 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc3n2CCC3)C1 ZINC001248823741 989184885 /nfs/dbraw/zinc/18/48/85/989184885.db2.gz KDKWRMDLZPVYHX-LBPRGKRZSA-N 1 2 229.327 2.170 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc3n2CCC3)C1 ZINC001248823741 989184891 /nfs/dbraw/zinc/18/48/91/989184891.db2.gz KDKWRMDLZPVYHX-LBPRGKRZSA-N 1 2 229.327 2.170 20 30 BEEDLO C#Cc1cc(Nc2cn(C)c3cnccc23)cc[nH+]1 ZINC001249690979 989340422 /nfs/dbraw/zinc/34/04/22/989340422.db2.gz HDFLFZXEQBBZAY-UHFFFAOYSA-N 1 2 248.289 2.115 20 30 BEEDLO Cc1cc(C)c(C(=O)N(C)[C@@H](C)CC#N)c(C)[nH+]1 ZINC001518823802 989343138 /nfs/dbraw/zinc/34/31/38/989343138.db2.gz BPZXLTVBABUIMY-NSHDSACASA-N 1 2 245.326 2.381 20 30 BEEDLO C=CC(C)(C)CCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC001522393409 989851196 /nfs/dbraw/zinc/85/11/96/989851196.db2.gz SEEMDXWIZHHMNP-SECBINFHSA-N 1 2 248.317 2.078 20 30 BEEDLO C=CCCCC(=O)OCCCc1c[nH+]cn1C ZINC001122969287 990476435 /nfs/dbraw/zinc/47/64/35/990476435.db2.gz DBYQZODVBPNLFJ-UHFFFAOYSA-N 1 2 236.315 2.252 20 30 BEEDLO CN(C)c1ccc(C[N@H+]2CC[C@H](C#N)C2)s1 ZINC001138492382 990963623 /nfs/dbraw/zinc/96/36/23/990963623.db2.gz ARFHRSVFDOOAFW-SNVBAGLBSA-N 1 2 235.356 2.160 20 30 BEEDLO CN(C)c1ccc(C[N@@H+]2CC[C@H](C#N)C2)s1 ZINC001138492382 990963610 /nfs/dbraw/zinc/96/36/10/990963610.db2.gz ARFHRSVFDOOAFW-SNVBAGLBSA-N 1 2 235.356 2.160 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1c(C2CCC2)cnn1C ZINC001308506279 991014430 /nfs/dbraw/zinc/01/44/30/991014430.db2.gz UDWKYKVVNFHGBP-SNVBAGLBSA-N 1 2 232.331 2.079 20 30 BEEDLO CCOC(=O)CCC[C@H](C)[NH2+][C@@](C)(C#N)CC ZINC001258106520 991019025 /nfs/dbraw/zinc/01/90/25/991019025.db2.gz DIAYDIYGIHPKIT-WCQYABFASA-N 1 2 240.347 2.390 20 30 BEEDLO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc(C)n1 ZINC001308625608 991067313 /nfs/dbraw/zinc/06/73/13/991067313.db2.gz KVPYKRLHMHZBAU-JTQLQIEISA-N 1 2 217.316 2.290 20 30 BEEDLO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)cc(C)n1 ZINC001308625608 991067317 /nfs/dbraw/zinc/06/73/17/991067317.db2.gz KVPYKRLHMHZBAU-JTQLQIEISA-N 1 2 217.316 2.290 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ccc(O)c(F)c1F ZINC001308631454 991070180 /nfs/dbraw/zinc/07/01/80/991070180.db2.gz NJSVSVBDZWVMTQ-UHFFFAOYSA-N 1 2 225.238 2.126 20 30 BEEDLO C#CC[N@H+](CC)Cc1ccc(O)c(F)c1F ZINC001308631454 991070186 /nfs/dbraw/zinc/07/01/86/991070186.db2.gz NJSVSVBDZWVMTQ-UHFFFAOYSA-N 1 2 225.238 2.126 20 30 BEEDLO N#CCc1cccc(NCc2ccc[nH+]c2N)c1 ZINC001308768783 991123199 /nfs/dbraw/zinc/12/31/99/991123199.db2.gz AWUPFJSJMXXWOT-UHFFFAOYSA-N 1 2 238.294 2.342 20 30 BEEDLO C=CCOc1ccccc1C[N@@H+](C)C1COC1 ZINC001139029651 991127032 /nfs/dbraw/zinc/12/70/32/991127032.db2.gz FFCDFOVNCUPYGW-UHFFFAOYSA-N 1 2 233.311 2.082 20 30 BEEDLO C=CCOc1ccccc1C[N@H+](C)C1COC1 ZINC001139029651 991127035 /nfs/dbraw/zinc/12/70/35/991127035.db2.gz FFCDFOVNCUPYGW-UHFFFAOYSA-N 1 2 233.311 2.082 20 30 BEEDLO C=CCOc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001139029936 991128764 /nfs/dbraw/zinc/12/87/64/991128764.db2.gz XDIHCNIJRUSDDE-KBPBESRZSA-N 1 2 245.322 2.225 20 30 BEEDLO C=CCOc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001139029936 991128769 /nfs/dbraw/zinc/12/87/69/991128769.db2.gz XDIHCNIJRUSDDE-KBPBESRZSA-N 1 2 245.322 2.225 20 30 BEEDLO C[N@H+](Cc1ccno1)Cc1ccc(C#N)c(F)c1 ZINC001139530901 991260734 /nfs/dbraw/zinc/26/07/34/991260734.db2.gz VPJAULOHNSVHMS-UHFFFAOYSA-N 1 2 245.257 2.317 20 30 BEEDLO C[N@@H+](Cc1ccno1)Cc1ccc(C#N)c(F)c1 ZINC001139530901 991260744 /nfs/dbraw/zinc/26/07/44/991260744.db2.gz VPJAULOHNSVHMS-UHFFFAOYSA-N 1 2 245.257 2.317 20 30 BEEDLO N#Cc1ccc(F)c(C[NH+]2CC3(CSC3)C2)c1 ZINC001139649965 991305509 /nfs/dbraw/zinc/30/55/09/991305509.db2.gz MGLHLXINIQBFOB-UHFFFAOYSA-N 1 2 248.326 2.246 20 30 BEEDLO N#Cc1cc(F)cc(C[N@H+](C2CC2)C2COC2)c1 ZINC001139875638 991406436 /nfs/dbraw/zinc/40/64/36/991406436.db2.gz XSJCXCAEBZQFMN-UHFFFAOYSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1cc(F)cc(C[N@@H+](C2CC2)C2COC2)c1 ZINC001139875638 991406441 /nfs/dbraw/zinc/40/64/41/991406441.db2.gz XSJCXCAEBZQFMN-UHFFFAOYSA-N 1 2 246.285 2.061 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCC(C)(C)C1 ZINC001258593514 991487335 /nfs/dbraw/zinc/48/73/35/991487335.db2.gz VVSKEGUPLFWSRB-UWVGGRQHSA-N 1 2 245.388 2.016 20 30 BEEDLO CCCC[C@H](CCC)[NH2+][C@@H](CS)C(=O)OC ZINC001258755481 991702965 /nfs/dbraw/zinc/70/29/65/991702965.db2.gz PKZMXOXVNGUENS-QWRGUYRKSA-N 1 2 247.404 2.406 20 30 BEEDLO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](CS)C(=O)OC ZINC001258781300 991755835 /nfs/dbraw/zinc/75/58/35/991755835.db2.gz WLAJFELUANUXCU-AXFHLTTASA-N 1 2 247.404 2.262 20 30 BEEDLO Cc1c[nH+]c(Nc2ccc([N+](=O)[O-])cc2C#N)[nH]1 ZINC001319491229 991878867 /nfs/dbraw/zinc/87/88/67/991878867.db2.gz TYXXQCFSAXUZAQ-UHFFFAOYSA-N 1 2 243.226 2.242 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001319829651 991999805 /nfs/dbraw/zinc/99/98/05/991999805.db2.gz SRPVLNVHXRHSBM-VXGBXAGGSA-N 1 2 235.331 2.305 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001319829648 992000204 /nfs/dbraw/zinc/00/02/04/992000204.db2.gz SRPVLNVHXRHSBM-NEPJUHHUSA-N 1 2 235.331 2.305 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)C(C)(C)C ZINC001320072245 992095776 /nfs/dbraw/zinc/09/57/76/992095776.db2.gz DPCPYMYLOXYKGI-UHFFFAOYSA-N 1 2 246.782 2.175 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)C(C)(C)C ZINC001320072245 992095789 /nfs/dbraw/zinc/09/57/89/992095789.db2.gz DPCPYMYLOXYKGI-UHFFFAOYSA-N 1 2 246.782 2.175 20 30 BEEDLO CC(C)(C)ON=Cc1cccc2[nH+]ccn21 ZINC001320324944 992173272 /nfs/dbraw/zinc/17/32/72/992173272.db2.gz FGUXWWFGWSJXCN-UHFFFAOYSA-N 1 2 217.272 2.483 20 30 BEEDLO Cc1nnn([NH+]=CC2CCCCC2)c1C ZINC001262037249 992623776 /nfs/dbraw/zinc/62/37/76/992623776.db2.gz QJJZUVDVUZDQHR-UHFFFAOYSA-N 1 2 206.293 2.309 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(C2CC2)no1 ZINC001262335416 992839249 /nfs/dbraw/zinc/83/92/49/992839249.db2.gz AWLQCVZKDPBVSI-SNVBAGLBSA-N 1 2 219.288 2.097 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(C2CC2)no1 ZINC001262335416 992839252 /nfs/dbraw/zinc/83/92/52/992839252.db2.gz AWLQCVZKDPBVSI-SNVBAGLBSA-N 1 2 219.288 2.097 20 30 BEEDLO C=CCO[C@@H]1CCN(c2ccc(CC)c[nH+]2)C1 ZINC001262691254 993032717 /nfs/dbraw/zinc/03/27/17/993032717.db2.gz ZCDLNBKLBOWHPI-CYBMUJFWSA-N 1 2 232.327 2.425 20 30 BEEDLO CC(=[NH+]OC(C)(C)C)c1csc(N)n1 ZINC000379645787 993268396 /nfs/dbraw/zinc/26/83/96/993268396.db2.gz XYHPDTOSVLZGKG-UHFFFAOYSA-N 1 2 213.306 2.095 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000827649378 994539142 /nfs/dbraw/zinc/53/91/42/994539142.db2.gz JTZSHUDQIPVCRE-CYBMUJFWSA-N 1 2 234.274 2.267 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000827649378 994539150 /nfs/dbraw/zinc/53/91/50/994539150.db2.gz JTZSHUDQIPVCRE-CYBMUJFWSA-N 1 2 234.274 2.267 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)/C(C)=C/CC ZINC001492210073 995030662 /nfs/dbraw/zinc/03/06/62/995030662.db2.gz SXFOQFUGGQHBCF-UXBLZVDNSA-N 1 2 244.766 2.143 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)/C(C)=C/CC ZINC001492210073 995030670 /nfs/dbraw/zinc/03/06/70/995030670.db2.gz SXFOQFUGGQHBCF-UXBLZVDNSA-N 1 2 244.766 2.143 20 30 BEEDLO C=C(C)CCC(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001304056732 995184275 /nfs/dbraw/zinc/18/42/75/995184275.db2.gz SMPKUSACCQCIQR-UHFFFAOYSA-N 1 2 247.342 2.261 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1c(C)cc(C)nc1C ZINC001307495443 995383635 /nfs/dbraw/zinc/38/36/35/995383635.db2.gz CMQFSISCFJONAH-UHFFFAOYSA-N 1 2 240.350 2.465 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1c(C)cc(C)nc1C ZINC001307495443 995383645 /nfs/dbraw/zinc/38/36/45/995383645.db2.gz CMQFSISCFJONAH-UHFFFAOYSA-N 1 2 240.350 2.465 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001567798573 1170095243 /nfs/dbraw/zinc/09/52/43/1170095243.db2.gz RFBCEDFUBRSKNM-NSHDSACASA-N 1 2 238.375 2.045 20 30 BEEDLO CCc1cn(CC(=O)c2ccc(C#N)cc2)c[nH+]1 ZINC001614959567 1170501264 /nfs/dbraw/zinc/50/12/64/1170501264.db2.gz DPIHCUXCXQOAQY-UHFFFAOYSA-N 1 2 239.278 2.200 20 30 BEEDLO C=CCCCCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001618187248 1170620083 /nfs/dbraw/zinc/62/00/83/1170620083.db2.gz JQJWYIBECLBMAL-UHFFFAOYSA-N 1 2 249.358 2.465 20 30 BEEDLO C=CC[N@H+](Cc1nc(CO)cs1)C(C)C ZINC001621138568 1170724602 /nfs/dbraw/zinc/72/46/02/1170724602.db2.gz JHDQDCBTQMBXNL-UHFFFAOYSA-N 1 2 226.345 2.032 20 30 BEEDLO C=CC[N@@H+](Cc1nc(CO)cs1)C(C)C ZINC001621138568 1170724606 /nfs/dbraw/zinc/72/46/06/1170724606.db2.gz JHDQDCBTQMBXNL-UHFFFAOYSA-N 1 2 226.345 2.032 20 30 BEEDLO C=CCN(C(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001629070129 1171276965 /nfs/dbraw/zinc/27/69/65/1171276965.db2.gz FEGNGZNKDKSFIO-UHFFFAOYSA-N 1 2 241.294 2.171 20 30 BEEDLO CC#CC[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000271064810 398144036 /nfs/dbraw/zinc/14/40/36/398144036.db2.gz CMNDEASYNDUUPR-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000271064810 398144043 /nfs/dbraw/zinc/14/40/43/398144043.db2.gz CMNDEASYNDUUPR-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO Cc1[nH+]cccc1N[C@H]1CC[C@@H](C#N)C1 ZINC000309175758 136217690 /nfs/dbraw/zinc/21/76/90/136217690.db2.gz MREQDBXOJQDIAP-MNOVXSKESA-N 1 2 201.273 2.494 20 30 BEEDLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)C#N ZINC000274300239 178094358 /nfs/dbraw/zinc/09/43/58/178094358.db2.gz BQBULMBEOLCVSQ-JTQLQIEISA-N 1 2 203.289 2.385 20 30 BEEDLO COc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1C#N ZINC000335406854 398202335 /nfs/dbraw/zinc/20/23/35/398202335.db2.gz FGVFGYDMCLTRMO-GFCCVEGCSA-N 1 2 234.274 2.111 20 30 BEEDLO COc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1C#N ZINC000335406854 398202336 /nfs/dbraw/zinc/20/23/36/398202336.db2.gz FGVFGYDMCLTRMO-GFCCVEGCSA-N 1 2 234.274 2.111 20 30 BEEDLO Cc1cc(NCCCC#N)nc(C2CC2)[nH+]1 ZINC000273341503 178158791 /nfs/dbraw/zinc/15/87/91/178158791.db2.gz NUUASBFUDSTAHG-UHFFFAOYSA-N 1 2 216.288 2.378 20 30 BEEDLO COc1ccc(C)cc1C[NH2+]CC1(C#N)CC1 ZINC000258900223 349520205 /nfs/dbraw/zinc/52/02/05/349520205.db2.gz KYYNDQRKFTVJMT-UHFFFAOYSA-N 1 2 230.311 2.397 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccccc2F)CC1 ZINC000258890195 349520109 /nfs/dbraw/zinc/52/01/09/349520109.db2.gz JYMVRDJZNYACFW-UHFFFAOYSA-N 1 2 204.248 2.219 20 30 BEEDLO C=CC[C@H](CC)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000281274768 398235709 /nfs/dbraw/zinc/23/57/09/398235709.db2.gz HMCFKCCBJNIEIY-LBPRGKRZSA-N 1 2 243.310 2.419 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccc(F)cc2F)CC1 ZINC000258969722 349536076 /nfs/dbraw/zinc/53/60/76/349536076.db2.gz SSBWAUHGCPAVPD-UHFFFAOYSA-N 1 2 222.238 2.358 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1cccc(C#N)n1 ZINC000602448145 349548722 /nfs/dbraw/zinc/54/87/22/349548722.db2.gz MINNXHFJZIGXPF-UHFFFAOYSA-N 1 2 228.299 2.077 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1cccc(C#N)n1 ZINC000602448145 349548723 /nfs/dbraw/zinc/54/87/23/349548723.db2.gz MINNXHFJZIGXPF-UHFFFAOYSA-N 1 2 228.299 2.077 20 30 BEEDLO CC[N@H+](CC#N)C[C@H]1CCN(c2ccccc2)C1 ZINC000602449423 349551270 /nfs/dbraw/zinc/55/12/70/349551270.db2.gz LJVZYSRPFKJHKK-CQSZACIVSA-N 1 2 243.354 2.358 20 30 BEEDLO CC[N@@H+](CC#N)C[C@H]1CCN(c2ccccc2)C1 ZINC000602449423 349551273 /nfs/dbraw/zinc/55/12/73/349551273.db2.gz LJVZYSRPFKJHKK-CQSZACIVSA-N 1 2 243.354 2.358 20 30 BEEDLO Cc1ncc([C@@H](C)[N@@H+](C)[C@@H](C)CC#N)c(C)n1 ZINC000602461510 349555401 /nfs/dbraw/zinc/55/54/01/349555401.db2.gz GSBPOQOMITZLDT-GXSJLCMTSA-N 1 2 232.331 2.388 20 30 BEEDLO Cc1ncc([C@@H](C)[N@H+](C)[C@@H](C)CC#N)c(C)n1 ZINC000602461510 349555402 /nfs/dbraw/zinc/55/54/02/349555402.db2.gz GSBPOQOMITZLDT-GXSJLCMTSA-N 1 2 232.331 2.388 20 30 BEEDLO C[C@@H](CC#N)N(C)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602460691 349555544 /nfs/dbraw/zinc/55/55/44/349555544.db2.gz ARHTXRPOBOZZIP-JQWIXIFHSA-N 1 2 232.331 2.105 20 30 BEEDLO Cc1ncc([C@H](C)[N@@H+](C)[C@H](C)CC#N)c(C)n1 ZINC000602461511 349555613 /nfs/dbraw/zinc/55/56/13/349555613.db2.gz GSBPOQOMITZLDT-KOLCDFICSA-N 1 2 232.331 2.388 20 30 BEEDLO Cc1ncc([C@H](C)[N@H+](C)[C@H](C)CC#N)c(C)n1 ZINC000602461511 349555615 /nfs/dbraw/zinc/55/56/15/349555615.db2.gz GSBPOQOMITZLDT-KOLCDFICSA-N 1 2 232.331 2.388 20 30 BEEDLO C[C@H](CC#N)N(C)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602460693 349555831 /nfs/dbraw/zinc/55/58/31/349555831.db2.gz ARHTXRPOBOZZIP-ZYHUDNBSSA-N 1 2 232.331 2.105 20 30 BEEDLO C[C@]1(C[N@H+](CC#N)C2CC2)CCCS1 ZINC000600114248 342672141 /nfs/dbraw/zinc/67/21/41/342672141.db2.gz DISBDQGFDCKOSG-LLVKDONJSA-N 1 2 210.346 2.260 20 30 BEEDLO C[C@]1(C[N@@H+](CC#N)C2CC2)CCCS1 ZINC000600114248 342672142 /nfs/dbraw/zinc/67/21/42/342672142.db2.gz DISBDQGFDCKOSG-LLVKDONJSA-N 1 2 210.346 2.260 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cncc(Cl)c1 ZINC000600144063 342689934 /nfs/dbraw/zinc/68/99/34/342689934.db2.gz GMFJOGXUGVYVKP-MRVPVSSYSA-N 1 2 209.680 2.127 20 30 BEEDLO Cc1[nH]c(CN(C)CC(C)(C)C#N)[nH+]c1C ZINC000600170917 342694913 /nfs/dbraw/zinc/69/49/13/342694913.db2.gz TVJPUOXCPIVVRA-UHFFFAOYSA-N 1 2 220.320 2.008 20 30 BEEDLO CC1(C#N)C[NH+](C[C@@]2(C)CCCS2)C1 ZINC000600172808 342695686 /nfs/dbraw/zinc/69/56/86/342695686.db2.gz OBOQRIYXFIPJGI-LLVKDONJSA-N 1 2 210.346 2.118 20 30 BEEDLO Cc1occc1C[NH2+]Cc1nc(C#N)cs1 ZINC000309650278 342775093 /nfs/dbraw/zinc/77/50/93/342775093.db2.gz SNIBPHDLELXMFS-UHFFFAOYSA-N 1 2 233.296 2.206 20 30 BEEDLO C=CC[C@@H]1CC[C@@]2(C1)NC(=O)C[N@H+]2CCCC ZINC000649490042 398287045 /nfs/dbraw/zinc/28/70/45/398287045.db2.gz QDOQWGGMFBHEJP-TZMCWYRMSA-N 1 2 236.359 2.291 20 30 BEEDLO C=CC[C@@H]1CC[C@@]2(C1)NC(=O)C[N@@H+]2CCCC ZINC000649490042 398287047 /nfs/dbraw/zinc/28/70/47/398287047.db2.gz QDOQWGGMFBHEJP-TZMCWYRMSA-N 1 2 236.359 2.291 20 30 BEEDLO N#C[C@@]1(F)CC[N@H+](CC2CCSCC2)C1 ZINC000602631271 349648548 /nfs/dbraw/zinc/64/85/48/349648548.db2.gz ROGYDXVXEWDZSW-NSHDSACASA-N 1 2 228.336 2.067 20 30 BEEDLO N#C[C@@]1(F)CC[N@@H+](CC2CCSCC2)C1 ZINC000602631271 349648551 /nfs/dbraw/zinc/64/85/51/349648551.db2.gz ROGYDXVXEWDZSW-NSHDSACASA-N 1 2 228.336 2.067 20 30 BEEDLO CN(CC(C)(C)C#N)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602675478 349669329 /nfs/dbraw/zinc/66/93/29/349669329.db2.gz LJZUMULTWDNIDT-LBPRGKRZSA-N 1 2 246.358 2.353 20 30 BEEDLO COc1cncc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1C ZINC000602718688 349687685 /nfs/dbraw/zinc/68/76/85/349687685.db2.gz PVCPKKPNHPITHH-AWEZNQCLSA-N 1 2 245.326 2.134 20 30 BEEDLO COc1cncc(C[N@H+]2CC[C@@](C)(C#N)C2)c1C ZINC000602718688 349687688 /nfs/dbraw/zinc/68/76/88/349687688.db2.gz PVCPKKPNHPITHH-AWEZNQCLSA-N 1 2 245.326 2.134 20 30 BEEDLO C=C(C)C[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000336682309 346906064 /nfs/dbraw/zinc/90/60/64/346906064.db2.gz PMMJCRQOGDFKQJ-LBPRGKRZSA-N 1 2 221.304 2.169 20 30 BEEDLO C=C(C)C[C@H]([NH2+]Cc1ccccc1)C(=O)OC ZINC000602734486 349720198 /nfs/dbraw/zinc/72/01/98/349720198.db2.gz ZUYGZJHENWNMBL-ZDUSSCGKSA-N 1 2 233.311 2.284 20 30 BEEDLO N#CCC1(C[N@H+]2CCOC[C@H]2CC(F)F)CC1 ZINC000602830001 349766815 /nfs/dbraw/zinc/76/68/15/349766815.db2.gz SWRUNXISMMXUKS-SNVBAGLBSA-N 1 2 244.285 2.036 20 30 BEEDLO N#CCC1(C[N@@H+]2CCOC[C@H]2CC(F)F)CC1 ZINC000602830001 349766819 /nfs/dbraw/zinc/76/68/19/349766819.db2.gz SWRUNXISMMXUKS-SNVBAGLBSA-N 1 2 244.285 2.036 20 30 BEEDLO CCN(C#N)CC[N@H+](CCC#N)CC(C)(C)C ZINC000602783453 349748710 /nfs/dbraw/zinc/74/87/10/349748710.db2.gz ZNQILJJNAOPTCN-UHFFFAOYSA-N 1 2 236.363 2.051 20 30 BEEDLO CCN(C#N)CC[N@@H+](CCC#N)CC(C)(C)C ZINC000602783453 349748713 /nfs/dbraw/zinc/74/87/13/349748713.db2.gz ZNQILJJNAOPTCN-UHFFFAOYSA-N 1 2 236.363 2.051 20 30 BEEDLO Cc1cc(C)c(CN2CC(C)(C#N)C2)c(C)[nH+]1 ZINC000602830973 349768045 /nfs/dbraw/zinc/76/80/45/349768045.db2.gz YCWWJGCLXYRFMW-UHFFFAOYSA-N 1 2 229.327 2.352 20 30 BEEDLO CCC(CC)([NH2+]CC1(CC#N)CC1)C(=O)OC ZINC000602813864 349756713 /nfs/dbraw/zinc/75/67/13/349756713.db2.gz ZMWKKKUKUGFLIB-UHFFFAOYSA-N 1 2 238.331 2.002 20 30 BEEDLO Cc1cc(C)c(CN2CC[C@](F)(C#N)C2)c(C)[nH+]1 ZINC000602817024 349758353 /nfs/dbraw/zinc/75/83/53/349758353.db2.gz RSRZIAPESMMQDP-AWEZNQCLSA-N 1 2 247.317 2.444 20 30 BEEDLO N#CCc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC000584880555 343081265 /nfs/dbraw/zinc/08/12/65/343081265.db2.gz FFVRBPWWCJKLMC-UHFFFAOYSA-N 1 2 209.252 2.227 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000042324378 136273000 /nfs/dbraw/zinc/27/30/00/136273000.db2.gz QGGUEUQGLICYOT-SECBINFHSA-N 1 2 223.707 2.326 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000042324378 136273001 /nfs/dbraw/zinc/27/30/01/136273001.db2.gz QGGUEUQGLICYOT-SECBINFHSA-N 1 2 223.707 2.326 20 30 BEEDLO N#CCC[NH2+][C@@H]1CSc2ccccc21 ZINC000123344111 343162053 /nfs/dbraw/zinc/16/20/53/343162053.db2.gz PTTDMIUGUCGHOF-SNVBAGLBSA-N 1 2 204.298 2.337 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)CCOc1ccccc1C#N ZINC000042324845 136272646 /nfs/dbraw/zinc/27/26/46/136272646.db2.gz SBRKRKGHYDVDHM-GFCCVEGCSA-N 1 2 243.310 2.029 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)CCOc1ccccc1C#N ZINC000042324845 136272647 /nfs/dbraw/zinc/27/26/47/136272647.db2.gz SBRKRKGHYDVDHM-GFCCVEGCSA-N 1 2 243.310 2.029 20 30 BEEDLO CCc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1 ZINC000602869147 349799624 /nfs/dbraw/zinc/79/96/24/349799624.db2.gz MSVIIZGOGPULDR-LLVKDONJSA-N 1 2 245.326 2.079 20 30 BEEDLO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C#N)C1CCCCC1 ZINC000336751916 136275295 /nfs/dbraw/zinc/27/52/95/136275295.db2.gz DBHCKMIOKFJZKD-WZRBSPASSA-N 1 2 224.348 2.472 20 30 BEEDLO CC(C)[C@@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000284199807 136287321 /nfs/dbraw/zinc/28/73/21/136287321.db2.gz YSICHZCYOIINNT-ZDUSSCGKSA-N 1 2 236.315 2.012 20 30 BEEDLO CC(C)[C@@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000284199807 136287322 /nfs/dbraw/zinc/28/73/22/136287322.db2.gz YSICHZCYOIINNT-ZDUSSCGKSA-N 1 2 236.315 2.012 20 30 BEEDLO CC[N@H+](CCC(F)(F)F)C[C@@H](C)C#N ZINC000070913393 343339787 /nfs/dbraw/zinc/33/97/87/343339787.db2.gz GNVXJRUIZWQVIL-QMMMGPOBSA-N 1 2 208.227 2.420 20 30 BEEDLO CC[N@@H+](CCC(F)(F)F)C[C@@H](C)C#N ZINC000070913393 343339788 /nfs/dbraw/zinc/33/97/88/343339788.db2.gz GNVXJRUIZWQVIL-QMMMGPOBSA-N 1 2 208.227 2.420 20 30 BEEDLO C[N@H+](Cc1ccon1)Cc1ccc(F)c(C#N)c1 ZINC000344371541 343397368 /nfs/dbraw/zinc/39/73/68/343397368.db2.gz SIJWCAJNGWSASU-UHFFFAOYSA-N 1 2 245.257 2.317 20 30 BEEDLO C[N@@H+](Cc1ccon1)Cc1ccc(F)c(C#N)c1 ZINC000344371541 343397370 /nfs/dbraw/zinc/39/73/70/343397370.db2.gz SIJWCAJNGWSASU-UHFFFAOYSA-N 1 2 245.257 2.317 20 30 BEEDLO CC[N@H+](CCC#N)CCc1c(C)noc1C ZINC000166245245 136319899 /nfs/dbraw/zinc/31/98/99/136319899.db2.gz FJJPTBHMKINSDD-UHFFFAOYSA-N 1 2 221.304 2.070 20 30 BEEDLO CC[N@@H+](CCC#N)CCc1c(C)noc1C ZINC000166245245 136319900 /nfs/dbraw/zinc/31/99/00/136319900.db2.gz FJJPTBHMKINSDD-UHFFFAOYSA-N 1 2 221.304 2.070 20 30 BEEDLO O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CCSC1 ZINC000329320532 136365019 /nfs/dbraw/zinc/36/50/19/136365019.db2.gz IYMNLGKVKASABD-VIFPVBQESA-N 1 2 239.344 2.052 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000351105952 136368054 /nfs/dbraw/zinc/36/80/54/136368054.db2.gz WMTOSOKEBUNRAJ-UHFFFAOYSA-N 1 2 249.236 2.182 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000351105952 136368055 /nfs/dbraw/zinc/36/80/55/136368055.db2.gz WMTOSOKEBUNRAJ-UHFFFAOYSA-N 1 2 249.236 2.182 20 30 BEEDLO N#CCC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000048391886 136372773 /nfs/dbraw/zinc/37/27/73/136372773.db2.gz PYQARGLAGJZEBL-UHFFFAOYSA-N 1 2 228.295 2.395 20 30 BEEDLO N#CCC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000048391886 136372774 /nfs/dbraw/zinc/37/27/74/136372774.db2.gz PYQARGLAGJZEBL-UHFFFAOYSA-N 1 2 228.295 2.395 20 30 BEEDLO CC(C)C[N@H+](CCC#N)Cc1cccnc1 ZINC000043419647 343471206 /nfs/dbraw/zinc/47/12/06/343471206.db2.gz QRNQOLLSUMCCBB-UHFFFAOYSA-N 1 2 217.316 2.453 20 30 BEEDLO CC(C)C[N@@H+](CCC#N)Cc1cccnc1 ZINC000043419647 343471208 /nfs/dbraw/zinc/47/12/08/343471208.db2.gz QRNQOLLSUMCCBB-UHFFFAOYSA-N 1 2 217.316 2.453 20 30 BEEDLO CC[N@@H+](Cc1cc(C)ccn1)C[C@@H](C)C#N ZINC000616750698 343558242 /nfs/dbraw/zinc/55/82/42/343558242.db2.gz GRMNXCPOXGPINF-LBPRGKRZSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1cc(C)ccn1)C[C@@H](C)C#N ZINC000616750698 343558243 /nfs/dbraw/zinc/55/82/43/343558243.db2.gz GRMNXCPOXGPINF-LBPRGKRZSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1nc2c(s1)CCC2 ZINC000135039894 343583728 /nfs/dbraw/zinc/58/37/28/343583728.db2.gz ULQNXDIDWSWYOV-VIFPVBQESA-N 1 2 235.356 2.414 20 30 BEEDLO N#CCCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000178386430 346953821 /nfs/dbraw/zinc/95/38/21/346953821.db2.gz KVAQNKVCIZSBTF-UHFFFAOYSA-N 1 2 242.326 2.491 20 30 BEEDLO N#CCCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000178386430 346953822 /nfs/dbraw/zinc/95/38/22/346953822.db2.gz KVAQNKVCIZSBTF-UHFFFAOYSA-N 1 2 242.326 2.491 20 30 BEEDLO C[N@H+](Cc1cncc(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602979365 349843860 /nfs/dbraw/zinc/84/38/60/349843860.db2.gz CKKOQUATPGJMIL-YPMHNXCESA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1cncc(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602979365 349843863 /nfs/dbraw/zinc/84/38/63/349843863.db2.gz CKKOQUATPGJMIL-YPMHNXCESA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@H+](Cc1ccc(C#N)cn1)[C@H]1CCC[C@H]1C#N ZINC000602980639 349846076 /nfs/dbraw/zinc/84/60/76/349846076.db2.gz SPNKAJFUQMWKJB-JSGCOSHPSA-N 1 2 240.310 2.077 20 30 BEEDLO C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCC[C@H]1C#N ZINC000602980639 349846079 /nfs/dbraw/zinc/84/60/79/349846079.db2.gz SPNKAJFUQMWKJB-JSGCOSHPSA-N 1 2 240.310 2.077 20 30 BEEDLO COc1ncccc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980680 349846225 /nfs/dbraw/zinc/84/62/25/349846225.db2.gz TUVBDGQIAXJLIW-WCQYABFASA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ncccc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980680 349846226 /nfs/dbraw/zinc/84/62/26/349846226.db2.gz TUVBDGQIAXJLIW-WCQYABFASA-N 1 2 245.326 2.214 20 30 BEEDLO CC(C)[C@H](NC(=O)CCCCC#N)c1[nH]cc[nH+]1 ZINC000603159405 349879088 /nfs/dbraw/zinc/87/90/88/349879088.db2.gz KJOLEKDFTNGCQT-LBPRGKRZSA-N 1 2 248.330 2.307 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000334234884 343843714 /nfs/dbraw/zinc/84/37/14/343843714.db2.gz QIIFTQGAMOBUPH-STQMWFEESA-N 1 2 248.351 2.373 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000334234884 343843718 /nfs/dbraw/zinc/84/37/18/343843718.db2.gz QIIFTQGAMOBUPH-STQMWFEESA-N 1 2 248.351 2.373 20 30 BEEDLO CN(Cc1[nH]cc[nH+]1)c1cccc(F)c1C#N ZINC000334678308 343901687 /nfs/dbraw/zinc/90/16/87/343901687.db2.gz IDIRNWLVAYEEOC-UHFFFAOYSA-N 1 2 230.246 2.057 20 30 BEEDLO N#Cc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1F ZINC000334811613 343909464 /nfs/dbraw/zinc/90/94/64/343909464.db2.gz OCLRUQCLHQKWKE-LLVKDONJSA-N 1 2 222.238 2.241 20 30 BEEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1F ZINC000334811613 343909467 /nfs/dbraw/zinc/90/94/67/343909467.db2.gz OCLRUQCLHQKWKE-LLVKDONJSA-N 1 2 222.238 2.241 20 30 BEEDLO CC[N@@H+](Cc1cccnc1C)C[C@H](C)C#N ZINC000091983992 343951947 /nfs/dbraw/zinc/95/19/47/343951947.db2.gz LGGPJVZYJOXPRH-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1cccnc1C)C[C@H](C)C#N ZINC000091983992 343951949 /nfs/dbraw/zinc/95/19/49/343951949.db2.gz LGGPJVZYJOXPRH-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO CC#CCO[NH+]=C(N)Cc1ccccc1Cl ZINC000180624198 347035012 /nfs/dbraw/zinc/03/50/12/347035012.db2.gz UEBAGWTZIJDJAV-UHFFFAOYSA-N 1 2 236.702 2.195 20 30 BEEDLO CCn1ccc(C[N@H+](C)C[C@H](C#N)CCC#N)c1 ZINC000616785215 344471224 /nfs/dbraw/zinc/47/12/24/344471224.db2.gz CDVMGHLABXBEAP-ZDUSSCGKSA-N 1 2 244.342 2.383 20 30 BEEDLO CCn1ccc(C[N@@H+](C)C[C@H](C#N)CCC#N)c1 ZINC000616785215 344471227 /nfs/dbraw/zinc/47/12/27/344471227.db2.gz CDVMGHLABXBEAP-ZDUSSCGKSA-N 1 2 244.342 2.383 20 30 BEEDLO CC(C)(CCC#N)CNc1cc[nH+]cc1F ZINC000381196466 344483563 /nfs/dbraw/zinc/48/35/63/344483563.db2.gz AHNXHKWEBZJKQM-UHFFFAOYSA-N 1 2 221.279 2.384 20 30 BEEDLO COc1ccc(N[C@@H]2CC[C@@H](C#N)C2)[nH+]c1 ZINC000381355469 344497076 /nfs/dbraw/zinc/49/70/76/344497076.db2.gz CZVUXQBXFXYEJQ-NXEZZACHSA-N 1 2 217.272 2.194 20 30 BEEDLO C=C[C@H]([NH2+]CC1(CCC)CCC1)C(=O)OC ZINC000381378605 344499744 /nfs/dbraw/zinc/49/97/44/344499744.db2.gz KOYDGMSZFIATKA-NSHDSACASA-N 1 2 225.332 2.274 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)[C@H](C)CO1 ZINC000092018274 344533873 /nfs/dbraw/zinc/53/38/73/344533873.db2.gz VWXIEIVAYXRCHW-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@H](C)CO1 ZINC000092018274 344533875 /nfs/dbraw/zinc/53/38/75/344533875.db2.gz VWXIEIVAYXRCHW-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO C=CCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075532991 344774060 /nfs/dbraw/zinc/77/40/60/344774060.db2.gz WVPJZSIBXMXOEW-LLVKDONJSA-N 1 2 233.315 2.082 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1N(C)C ZINC000075682745 344784335 /nfs/dbraw/zinc/78/43/35/344784335.db2.gz VMTJQOIQCBUIMU-GFCCVEGCSA-N 1 2 231.343 2.344 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1N(C)C ZINC000075682745 344784338 /nfs/dbraw/zinc/78/43/38/344784338.db2.gz VMTJQOIQCBUIMU-GFCCVEGCSA-N 1 2 231.343 2.344 20 30 BEEDLO Cc1nc(CC(N)=[NH+]OC2CCCC2)cs1 ZINC000181878969 347076904 /nfs/dbraw/zinc/07/69/04/347076904.db2.gz VNPDLRYPSODVBU-UHFFFAOYSA-N 1 2 239.344 2.225 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc2c1OCCO2 ZINC000076341872 344801480 /nfs/dbraw/zinc/80/14/80/344801480.db2.gz LBNBHHBHMDGINV-UHFFFAOYSA-N 1 2 246.310 2.193 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc2c1OCCO2 ZINC000076341872 344801483 /nfs/dbraw/zinc/80/14/83/344801483.db2.gz LBNBHHBHMDGINV-UHFFFAOYSA-N 1 2 246.310 2.193 20 30 BEEDLO Cc1cc(CN(C)c2cc(C)[nH+]cc2C#N)no1 ZINC000425208022 192083946 /nfs/dbraw/zinc/08/39/46/192083946.db2.gz OEMWFDJWIBZEJT-UHFFFAOYSA-N 1 2 242.282 2.195 20 30 BEEDLO Cc1cc(N[C@@H]2C=CCCC2)c(C#N)c[nH+]1 ZINC000425232700 192084317 /nfs/dbraw/zinc/08/43/17/192084317.db2.gz FQESPZNOLWUVGI-GFCCVEGCSA-N 1 2 213.284 2.204 20 30 BEEDLO CC[N@@H+](Cc1c(C)nn(C)c1C)C[C@@H](C)C#N ZINC000154956029 345060801 /nfs/dbraw/zinc/06/08/01/345060801.db2.gz ZGCITQSMSVPGJX-JTQLQIEISA-N 1 2 234.347 2.019 20 30 BEEDLO CC[N@H+](Cc1c(C)nn(C)c1C)C[C@@H](C)C#N ZINC000154956029 345060804 /nfs/dbraw/zinc/06/08/04/345060804.db2.gz ZGCITQSMSVPGJX-JTQLQIEISA-N 1 2 234.347 2.019 20 30 BEEDLO Cc1cc(NCC(C)(C)CCC#N)c(C#N)c[nH+]1 ZINC000425274406 192087242 /nfs/dbraw/zinc/08/72/42/192087242.db2.gz ZTPQUCJHCGWNHN-UHFFFAOYSA-N 1 2 242.326 2.425 20 30 BEEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1cnccn1 ZINC000248636180 345438403 /nfs/dbraw/zinc/43/84/03/345438403.db2.gz VOQXHDGHKCAPHO-GHMZBOCLSA-N 1 2 218.304 2.019 20 30 BEEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1cnccn1 ZINC000248636180 345438406 /nfs/dbraw/zinc/43/84/06/345438406.db2.gz VOQXHDGHKCAPHO-GHMZBOCLSA-N 1 2 218.304 2.019 20 30 BEEDLO CCOCCC[N@H+](CCC#N)Cc1ccco1 ZINC000081517969 345475948 /nfs/dbraw/zinc/47/59/48/345475948.db2.gz VNWUXUUTSMMOOT-UHFFFAOYSA-N 1 2 236.315 2.422 20 30 BEEDLO CCOCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000081517969 345475952 /nfs/dbraw/zinc/47/59/52/345475952.db2.gz VNWUXUUTSMMOOT-UHFFFAOYSA-N 1 2 236.315 2.422 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cc(F)ccc1F ZINC000082599578 345480785 /nfs/dbraw/zinc/48/07/85/345480785.db2.gz KZSPJKUWWIKCLB-MRVPVSSYSA-N 1 2 210.227 2.357 20 30 BEEDLO CC[N@H+](CCC#N)C[C@H](O)c1ccccc1F ZINC000081514160 345482092 /nfs/dbraw/zinc/48/20/92/345482092.db2.gz QYDMMPFQJINSMI-ZDUSSCGKSA-N 1 2 236.290 2.095 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@H](O)c1ccccc1F ZINC000081514160 345482095 /nfs/dbraw/zinc/48/20/95/345482095.db2.gz QYDMMPFQJINSMI-ZDUSSCGKSA-N 1 2 236.290 2.095 20 30 BEEDLO COc1ccsc1C[N@H+](C)[C@H](C)CC#N ZINC000093090573 345656811 /nfs/dbraw/zinc/65/68/11/345656811.db2.gz UVFOOANHRAVTPE-SECBINFHSA-N 1 2 224.329 2.491 20 30 BEEDLO COc1ccsc1C[N@@H+](C)[C@H](C)CC#N ZINC000093090573 345656815 /nfs/dbraw/zinc/65/68/15/345656815.db2.gz UVFOOANHRAVTPE-SECBINFHSA-N 1 2 224.329 2.491 20 30 BEEDLO N#CC1CCC(CNc2cc(CO)cc[nH+]2)CC1 ZINC000603373484 349935571 /nfs/dbraw/zinc/93/55/71/349935571.db2.gz VINKCUBQRKZICF-UHFFFAOYSA-N 1 2 245.326 2.316 20 30 BEEDLO CC(C)([NH2+][C@H]1CC[C@@H](C#N)C1)C(F)F ZINC000307655086 345878157 /nfs/dbraw/zinc/87/81/57/345878157.db2.gz WLYNAMSBLYAPIQ-SFYZADRCSA-N 1 2 202.248 2.312 20 30 BEEDLO N#CC[C@@H]1CC[C@H](Nc2cc[nH+]cc2F)C1 ZINC000603389201 349942958 /nfs/dbraw/zinc/94/29/58/349942958.db2.gz QMRJLUFIIJFYIY-UWVGGRQHSA-N 1 2 219.263 2.137 20 30 BEEDLO C=CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636140549 346332138 /nfs/dbraw/zinc/33/21/38/346332138.db2.gz YATIVMVTAWUZPY-VXGBXAGGSA-N 1 2 247.342 2.376 20 30 BEEDLO C=CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636140549 346332140 /nfs/dbraw/zinc/33/21/40/346332140.db2.gz YATIVMVTAWUZPY-VXGBXAGGSA-N 1 2 247.342 2.376 20 30 BEEDLO Cc1cccc(CCNc2ncccc2C#N)[nH+]1 ZINC000359835607 179062308 /nfs/dbraw/zinc/06/23/08/179062308.db2.gz WSDGSWYGVRPPCE-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO Cc1ccnc(NC(C)(C)c2[nH]cc[nH+]2)c1C#N ZINC000603407783 349957723 /nfs/dbraw/zinc/95/77/23/349957723.db2.gz WVJYPOFNVAEGJL-UHFFFAOYSA-N 1 2 241.298 2.332 20 30 BEEDLO COc1cccc(C[N@H+](CCC#N)C(C)C)n1 ZINC000070093663 349965604 /nfs/dbraw/zinc/96/56/04/349965604.db2.gz NHMLTNYHWLJXCQ-UHFFFAOYSA-N 1 2 233.315 2.214 20 30 BEEDLO COc1cccc(C[N@@H+](CCC#N)C(C)C)n1 ZINC000070093663 349965606 /nfs/dbraw/zinc/96/56/06/349965606.db2.gz NHMLTNYHWLJXCQ-UHFFFAOYSA-N 1 2 233.315 2.214 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CC[C@H](C)C[C@H]1C)C(=O)OC ZINC000300768427 346502200 /nfs/dbraw/zinc/50/22/00/346502200.db2.gz AHLMAIZNYHNSDO-WHOHXGKFSA-N 1 2 225.332 2.128 20 30 BEEDLO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000589991008 346760358 /nfs/dbraw/zinc/76/03/58/346760358.db2.gz SXVJRJSODRKFMK-OCCSQVGLSA-N 1 2 244.342 2.472 20 30 BEEDLO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)cn1 ZINC000589991008 346760362 /nfs/dbraw/zinc/76/03/62/346760362.db2.gz SXVJRJSODRKFMK-OCCSQVGLSA-N 1 2 244.342 2.472 20 30 BEEDLO CCOc1ccc(C[N@H+](C)CC(C)(C)C#N)nc1 ZINC000590124133 346777296 /nfs/dbraw/zinc/77/72/96/346777296.db2.gz HVOHTFYTJQLCRO-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO CCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)nc1 ZINC000590124133 346777298 /nfs/dbraw/zinc/77/72/98/346777298.db2.gz HVOHTFYTJQLCRO-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO C(#Cc1ccccc1)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000364592441 347462718 /nfs/dbraw/zinc/46/27/18/347462718.db2.gz VYDPHDIIAZPQLI-MRXNPFEDSA-N 1 2 241.334 2.149 20 30 BEEDLO C(#Cc1ccccc1)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000364592441 347462723 /nfs/dbraw/zinc/46/27/23/347462723.db2.gz VYDPHDIIAZPQLI-MRXNPFEDSA-N 1 2 241.334 2.149 20 30 BEEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cccnc1 ZINC000590593498 347477893 /nfs/dbraw/zinc/47/78/93/347477893.db2.gz COESQZSDJAQPJH-UHFFFAOYSA-N 1 2 241.269 2.382 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000590760495 347522990 /nfs/dbraw/zinc/52/29/90/347522990.db2.gz CRXFCNRBAVYUQQ-MLGOLLRUSA-N 1 2 241.400 2.021 20 30 BEEDLO CCC#C[C@@H](C)[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000590760495 347522991 /nfs/dbraw/zinc/52/29/91/347522991.db2.gz CRXFCNRBAVYUQQ-MLGOLLRUSA-N 1 2 241.400 2.021 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H]1CCC[C@@H]1CC)C(=O)OC ZINC000591375012 347650004 /nfs/dbraw/zinc/65/00/04/347650004.db2.gz QNNCATAGFZDPDT-TUAOUCFPSA-N 1 2 225.332 2.130 20 30 BEEDLO Cc1cc(N2CC[C@@H](C)[C@H](F)C2)c(C#N)c[nH+]1 ZINC000591822623 347701315 /nfs/dbraw/zinc/70/13/15/347701315.db2.gz NDUZEAQDQJIULA-BXKDBHETSA-N 1 2 233.290 2.446 20 30 BEEDLO Cc1cc(N2CC3(CC(F)C3)C2)c(C#N)c[nH+]1 ZINC000591822318 347701510 /nfs/dbraw/zinc/70/15/10/347701510.db2.gz YAOQMMDXOZCXQA-UHFFFAOYSA-N 1 2 231.274 2.200 20 30 BEEDLO Cc1cc(N[C@@H]2C[C@H]2C(F)(F)F)c(C#N)c[nH+]1 ZINC000591824898 347701879 /nfs/dbraw/zinc/70/18/79/347701879.db2.gz DEPVYOBMKAEXDH-PSASIEDQSA-N 1 2 241.216 2.046 20 30 BEEDLO C=CC[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000592094435 347740102 /nfs/dbraw/zinc/74/01/02/347740102.db2.gz VBCNXXBJPOIEDN-UHFFFAOYSA-N 1 2 213.284 2.104 20 30 BEEDLO C=CC[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592094435 347740105 /nfs/dbraw/zinc/74/01/05/347740105.db2.gz VBCNXXBJPOIEDN-UHFFFAOYSA-N 1 2 213.284 2.104 20 30 BEEDLO CCN(CC#N)Cc1cc(OC(C)C)cc[nH+]1 ZINC000593010513 347841585 /nfs/dbraw/zinc/84/15/85/347841585.db2.gz VBPKCGUGBKNIAH-UHFFFAOYSA-N 1 2 233.315 2.214 20 30 BEEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC1(C#N)CC1 ZINC000593058058 347848037 /nfs/dbraw/zinc/84/80/37/347848037.db2.gz ILXLVEBACLIBIL-NEPJUHHUSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC1(C#N)CC1 ZINC000593058058 347848038 /nfs/dbraw/zinc/84/80/38/347848038.db2.gz ILXLVEBACLIBIL-NEPJUHHUSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC1(C#N)CC1 ZINC000593058310 347848062 /nfs/dbraw/zinc/84/80/62/347848062.db2.gz LIATXWPEVZTZSV-LLVKDONJSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC1(C#N)CC1 ZINC000593058310 347848065 /nfs/dbraw/zinc/84/80/65/347848065.db2.gz LIATXWPEVZTZSV-LLVKDONJSA-N 1 2 222.332 2.180 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCCC(F)(F)C2)C1 ZINC000593052203 347853139 /nfs/dbraw/zinc/85/31/39/347853139.db2.gz HCESHYQOVQEKDL-NXEZZACHSA-N 1 2 214.259 2.410 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCCC(F)(F)C2)C1 ZINC000593052203 347853140 /nfs/dbraw/zinc/85/31/40/347853140.db2.gz HCESHYQOVQEKDL-NXEZZACHSA-N 1 2 214.259 2.410 20 30 BEEDLO Cc1cc(N2CC[C@]3(CC3(F)F)C2)c(C#N)c[nH+]1 ZINC000593521165 347904054 /nfs/dbraw/zinc/90/40/54/347904054.db2.gz LOPZJWPVHPWYMV-LBPRGKRZSA-N 1 2 249.264 2.497 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cc2cnccc2o1 ZINC000593615891 347916225 /nfs/dbraw/zinc/91/62/25/347916225.db2.gz UQYRVTXYFJOKGE-SECBINFHSA-N 1 2 215.256 2.077 20 30 BEEDLO C=CCC[NH2+][C@@H](Cc1ccccc1)C(=O)OCC ZINC000594711008 348104364 /nfs/dbraw/zinc/10/43/64/348104364.db2.gz KXGFVOZGLKELAT-AWEZNQCLSA-N 1 2 247.338 2.327 20 30 BEEDLO N#CCC[C@@H](C#N)C[NH2+]CC1(C#N)CCCCC1 ZINC000594717658 348107052 /nfs/dbraw/zinc/10/70/52/348107052.db2.gz NUDNXZIOJKHDJE-ZDUSSCGKSA-N 1 2 244.342 2.494 20 30 BEEDLO N#CC1(C[NH2+]Cc2cocn2)CCCCC1 ZINC000594981669 348163985 /nfs/dbraw/zinc/16/39/85/348163985.db2.gz SOJMTKIWUAYRPO-UHFFFAOYSA-N 1 2 219.288 2.238 20 30 BEEDLO Cc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)nc(C)n1 ZINC000595423708 348246269 /nfs/dbraw/zinc/24/62/69/348246269.db2.gz GLDCZYCLCVDQKM-CQSZACIVSA-N 1 2 244.342 2.219 20 30 BEEDLO Cc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)nc(C)n1 ZINC000595423708 348246273 /nfs/dbraw/zinc/24/62/73/348246273.db2.gz GLDCZYCLCVDQKM-CQSZACIVSA-N 1 2 244.342 2.219 20 30 BEEDLO CO[C@H](C[N@@H+]1CC[C@@](F)(C#N)C1)C1CCCC1 ZINC000595454303 348254147 /nfs/dbraw/zinc/25/41/47/348254147.db2.gz HDXMLQBWPUQLQA-CHWSQXEVSA-N 1 2 240.322 2.129 20 30 BEEDLO CO[C@H](C[N@H+]1CC[C@@](F)(C#N)C1)C1CCCC1 ZINC000595454303 348254149 /nfs/dbraw/zinc/25/41/49/348254149.db2.gz HDXMLQBWPUQLQA-CHWSQXEVSA-N 1 2 240.322 2.129 20 30 BEEDLO CO[C@H](C[N@@H+]1CC[C@](F)(C#N)C1)C1CCCC1 ZINC000595454304 348254152 /nfs/dbraw/zinc/25/41/52/348254152.db2.gz HDXMLQBWPUQLQA-OLZOCXBDSA-N 1 2 240.322 2.129 20 30 BEEDLO CO[C@H](C[N@H+]1CC[C@](F)(C#N)C1)C1CCCC1 ZINC000595454304 348254154 /nfs/dbraw/zinc/25/41/54/348254154.db2.gz HDXMLQBWPUQLQA-OLZOCXBDSA-N 1 2 240.322 2.129 20 30 BEEDLO C[N@H+](Cc1cnc[nH]1)Cc1ccc(CC#N)cc1 ZINC000595590844 348277816 /nfs/dbraw/zinc/27/78/16/348277816.db2.gz BXOOQTVHRGUXKC-UHFFFAOYSA-N 1 2 240.310 2.108 20 30 BEEDLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc(CC#N)cc1 ZINC000595590844 348277818 /nfs/dbraw/zinc/27/78/18/348277818.db2.gz BXOOQTVHRGUXKC-UHFFFAOYSA-N 1 2 240.310 2.108 20 30 BEEDLO C[N@H+](Cc1c[nH]cn1)Cc1ccc(CC#N)cc1 ZINC000595590844 348277819 /nfs/dbraw/zinc/27/78/19/348277819.db2.gz BXOOQTVHRGUXKC-UHFFFAOYSA-N 1 2 240.310 2.108 20 30 BEEDLO C[N@@H+](Cc1c[nH]cn1)Cc1ccc(CC#N)cc1 ZINC000595590844 348277821 /nfs/dbraw/zinc/27/78/21/348277821.db2.gz BXOOQTVHRGUXKC-UHFFFAOYSA-N 1 2 240.310 2.108 20 30 BEEDLO CCc1cnc(C[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595615779 348289164 /nfs/dbraw/zinc/28/91/64/348289164.db2.gz SVDYDRUZUQGPLW-NSHDSACASA-N 1 2 233.315 2.363 20 30 BEEDLO CCc1cnc(C[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595615779 348289165 /nfs/dbraw/zinc/28/91/65/348289165.db2.gz SVDYDRUZUQGPLW-NSHDSACASA-N 1 2 233.315 2.363 20 30 BEEDLO COc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595688143 348313829 /nfs/dbraw/zinc/31/38/29/348313829.db2.gz GUASITOCAODJHJ-WCQYABFASA-N 1 2 245.326 2.262 20 30 BEEDLO CCN(Cc1cn2ccccc2[nH+]1)[C@@H](C)C#N ZINC000595811392 348351022 /nfs/dbraw/zinc/35/10/22/348351022.db2.gz BGAGZZZJXAIGJK-NSHDSACASA-N 1 2 228.299 2.068 20 30 BEEDLO C#CC[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184192859 348329328 /nfs/dbraw/zinc/32/93/28/348329328.db2.gz JZFSUOCYOHZKSX-GFCCVEGCSA-N 1 2 221.300 2.216 20 30 BEEDLO CCN(Cc1cn2c(cccc2C)[nH+]1)[C@@H](C)C#N ZINC000595812166 348351697 /nfs/dbraw/zinc/35/16/97/348351697.db2.gz CVLFXPZSCLBQBX-LBPRGKRZSA-N 1 2 242.326 2.377 20 30 BEEDLO CC[N@H+](CCc1ccc(C#N)cc1)[C@H](C)C#N ZINC000595817528 348344124 /nfs/dbraw/zinc/34/41/24/348344124.db2.gz KUAKFOVCCZCOTA-GFCCVEGCSA-N 1 2 227.311 2.335 20 30 BEEDLO CC[N@@H+](CCc1ccc(C#N)cc1)[C@H](C)C#N ZINC000595817528 348344127 /nfs/dbraw/zinc/34/41/27/348344127.db2.gz KUAKFOVCCZCOTA-GFCCVEGCSA-N 1 2 227.311 2.335 20 30 BEEDLO CC(C)(C)n1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595841900 348376693 /nfs/dbraw/zinc/37/66/93/348376693.db2.gz PHDMXGFBYRSAMC-CQSZACIVSA-N 1 2 246.358 2.374 20 30 BEEDLO CC(C)(C)n1cc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595841900 348376696 /nfs/dbraw/zinc/37/66/96/348376696.db2.gz PHDMXGFBYRSAMC-CQSZACIVSA-N 1 2 246.358 2.374 20 30 BEEDLO CCc1nc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)o1 ZINC000595843065 348380152 /nfs/dbraw/zinc/38/01/52/348380152.db2.gz YBGSKOHIBYOCSX-CYBMUJFWSA-N 1 2 233.315 2.281 20 30 BEEDLO CCc1nc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)o1 ZINC000595843065 348380155 /nfs/dbraw/zinc/38/01/55/348380155.db2.gz YBGSKOHIBYOCSX-CYBMUJFWSA-N 1 2 233.315 2.281 20 30 BEEDLO CCc1nc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000595843066 348380462 /nfs/dbraw/zinc/38/04/62/348380462.db2.gz YBGSKOHIBYOCSX-ZDUSSCGKSA-N 1 2 233.315 2.281 20 30 BEEDLO CCc1nc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)o1 ZINC000595843066 348380465 /nfs/dbraw/zinc/38/04/65/348380465.db2.gz YBGSKOHIBYOCSX-ZDUSSCGKSA-N 1 2 233.315 2.281 20 30 BEEDLO Cc1nnc(C[N@H+](C)CCC(C)(C)C#N)s1 ZINC000595884386 348388673 /nfs/dbraw/zinc/38/86/73/348388673.db2.gz FDZHCJQDQSJRFO-UHFFFAOYSA-N 1 2 238.360 2.218 20 30 BEEDLO Cc1nnc(C[N@@H+](C)CCC(C)(C)C#N)s1 ZINC000595884386 348388674 /nfs/dbraw/zinc/38/86/74/348388674.db2.gz FDZHCJQDQSJRFO-UHFFFAOYSA-N 1 2 238.360 2.218 20 30 BEEDLO C=C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)C(=O)OC ZINC000595818385 348358384 /nfs/dbraw/zinc/35/83/84/348358384.db2.gz HUUFGJVIQHQHAO-WNYYMSAVSA-N 1 2 243.322 2.220 20 30 BEEDLO C=C[C@H]([NH2+][C@H](C)C1CCC(F)CC1)C(=O)OC ZINC000595818388 348358812 /nfs/dbraw/zinc/35/88/12/348358812.db2.gz HUUFGJVIQHQHAO-YYJSSNLHSA-N 1 2 243.322 2.220 20 30 BEEDLO CC[N@H+](CCCc1ccncc1)[C@H](C)C#N ZINC000595819512 348359572 /nfs/dbraw/zinc/35/95/72/348359572.db2.gz CBKZOVCXHPTXPS-GFCCVEGCSA-N 1 2 217.316 2.248 20 30 BEEDLO CC[N@@H+](CCCc1ccncc1)[C@H](C)C#N ZINC000595819512 348359576 /nfs/dbraw/zinc/35/95/76/348359576.db2.gz CBKZOVCXHPTXPS-GFCCVEGCSA-N 1 2 217.316 2.248 20 30 BEEDLO CC[N@H+](CCC1CCOCC1)[C@@H](C)C#N ZINC000595820572 348361828 /nfs/dbraw/zinc/36/18/28/348361828.db2.gz MPPKTYOPUSSNOO-NSHDSACASA-N 1 2 210.321 2.037 20 30 BEEDLO CC[N@@H+](CCC1CCOCC1)[C@@H](C)C#N ZINC000595820572 348361833 /nfs/dbraw/zinc/36/18/33/348361833.db2.gz MPPKTYOPUSSNOO-NSHDSACASA-N 1 2 210.321 2.037 20 30 BEEDLO CC[N@H+](C[C@H](O)CCc1ccccc1)[C@H](C)C#N ZINC000595821361 348363349 /nfs/dbraw/zinc/36/33/49/348363349.db2.gz USRZAFXNVPLAFO-UKRRQHHQSA-N 1 2 246.354 2.214 20 30 BEEDLO CC[N@@H+](C[C@H](O)CCc1ccccc1)[C@H](C)C#N ZINC000595821361 348363351 /nfs/dbraw/zinc/36/33/51/348363351.db2.gz USRZAFXNVPLAFO-UKRRQHHQSA-N 1 2 246.354 2.214 20 30 BEEDLO CC[N@H+](C[C@H](O)C1CCCCC1)[C@@H](C)C#N ZINC000595821434 348363606 /nfs/dbraw/zinc/36/36/06/348363606.db2.gz WFNVTOFXCWVZME-AAEUAGOBSA-N 1 2 224.348 2.162 20 30 BEEDLO CC[N@@H+](C[C@H](O)C1CCCCC1)[C@@H](C)C#N ZINC000595821434 348363609 /nfs/dbraw/zinc/36/36/09/348363609.db2.gz WFNVTOFXCWVZME-AAEUAGOBSA-N 1 2 224.348 2.162 20 30 BEEDLO C=CCCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000263789536 187398038 /nfs/dbraw/zinc/39/80/38/187398038.db2.gz IEBKLUPAYZLIRF-UHFFFAOYSA-N 1 2 243.310 2.225 20 30 BEEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595919207 348401402 /nfs/dbraw/zinc/40/14/02/348401402.db2.gz UYBIDHBJGVZJFV-ONGXEEELSA-N 1 2 232.274 2.035 20 30 BEEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595919207 348401404 /nfs/dbraw/zinc/40/14/04/348401404.db2.gz UYBIDHBJGVZJFV-ONGXEEELSA-N 1 2 232.274 2.035 20 30 BEEDLO Cc1ccc(NC(=O)[C@H](C)CC#N)c(C)[nH+]1 ZINC000597369044 348724595 /nfs/dbraw/zinc/72/45/95/348724595.db2.gz IPYMRGDBYOXMRS-MRVPVSSYSA-N 1 2 217.272 2.187 20 30 BEEDLO Cc1cccc(C[NH+]2CC(CC#N)C2)c1F ZINC000597203580 348676787 /nfs/dbraw/zinc/67/67/87/348676787.db2.gz LKJZKYLJGWYLRM-UHFFFAOYSA-N 1 2 218.275 2.480 20 30 BEEDLO CCc1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000597229994 348697570 /nfs/dbraw/zinc/69/75/70/348697570.db2.gz OLIWMPZCHLLOBX-LBPRGKRZSA-N 1 2 235.356 2.441 20 30 BEEDLO CCc1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)s1 ZINC000597229994 348697574 /nfs/dbraw/zinc/69/75/74/348697574.db2.gz OLIWMPZCHLLOBX-LBPRGKRZSA-N 1 2 235.356 2.441 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000597229976 348697958 /nfs/dbraw/zinc/69/79/58/348697958.db2.gz OLAPZJASKXLELY-GFCCVEGCSA-N 1 2 231.324 2.355 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000597229976 348697962 /nfs/dbraw/zinc/69/79/62/348697962.db2.gz OLAPZJASKXLELY-GFCCVEGCSA-N 1 2 231.324 2.355 20 30 BEEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1O ZINC000597231466 348699671 /nfs/dbraw/zinc/69/96/71/348699671.db2.gz XRVUKAKQMGYEMU-CQSZACIVSA-N 1 2 246.310 2.136 20 30 BEEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1O ZINC000597231466 348699674 /nfs/dbraw/zinc/69/96/74/348699674.db2.gz XRVUKAKQMGYEMU-CQSZACIVSA-N 1 2 246.310 2.136 20 30 BEEDLO Cc1cn2ccc(NC(=O)[C@@H](C)CC#N)cc2[nH+]1 ZINC000598469288 348979799 /nfs/dbraw/zinc/97/97/99/348979799.db2.gz PMMFNSIFBXVGIN-VIFPVBQESA-N 1 2 242.282 2.131 20 30 BEEDLO CC[C@H](C#N)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000598470845 348980705 /nfs/dbraw/zinc/98/07/05/348980705.db2.gz ZBMIGOMFJDJINB-SNVBAGLBSA-N 1 2 242.282 2.131 20 30 BEEDLO CCC[N@H+](CC(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598589616 348996939 /nfs/dbraw/zinc/99/69/39/348996939.db2.gz JXMHTIFAWUXBSS-SNVBAGLBSA-N 1 2 248.317 2.264 20 30 BEEDLO CCC[N@@H+](CC(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598589616 348996941 /nfs/dbraw/zinc/99/69/41/348996941.db2.gz JXMHTIFAWUXBSS-SNVBAGLBSA-N 1 2 248.317 2.264 20 30 BEEDLO CC#CC[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000160512231 349019094 /nfs/dbraw/zinc/01/90/94/349019094.db2.gz BGGATIIGKNARMX-CYBMUJFWSA-N 1 2 248.395 2.450 20 30 BEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@](C)(C#N)CC ZINC000598739038 349036062 /nfs/dbraw/zinc/03/60/62/349036062.db2.gz UTFCVPOPTZQEHF-MFKMUULPSA-N 1 2 248.330 2.020 20 30 BEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)CO1 ZINC000248822313 349141381 /nfs/dbraw/zinc/14/13/81/349141381.db2.gz FYSLTVODPQTEDB-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)CO1 ZINC000248822313 349141383 /nfs/dbraw/zinc/14/13/83/349141383.db2.gz FYSLTVODPQTEDB-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)CO1 ZINC000248822314 349141390 /nfs/dbraw/zinc/14/13/90/349141390.db2.gz FYSLTVODPQTEDB-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)CO1 ZINC000248822314 349141392 /nfs/dbraw/zinc/14/13/92/349141392.db2.gz FYSLTVODPQTEDB-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO Cc1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1C#N ZINC000599460567 349190358 /nfs/dbraw/zinc/19/03/58/349190358.db2.gz ZEFFIBARRQGEIT-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1C#N ZINC000599460567 349190359 /nfs/dbraw/zinc/19/03/59/349190359.db2.gz ZEFFIBARRQGEIT-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1ccc(C[N@H+](C)Cc2c[nH]cn2)cc1C#N ZINC000599460567 349190365 /nfs/dbraw/zinc/19/03/65/349190365.db2.gz ZEFFIBARRQGEIT-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1ccc(C[N@@H+](C)Cc2c[nH]cn2)cc1C#N ZINC000599460567 349190370 /nfs/dbraw/zinc/19/03/70/349190370.db2.gz ZEFFIBARRQGEIT-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000599475133 349195438 /nfs/dbraw/zinc/19/54/38/349195438.db2.gz HTBFONLPIPDFIC-AWEZNQCLSA-N 1 2 248.301 2.054 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000599475133 349195442 /nfs/dbraw/zinc/19/54/42/349195442.db2.gz HTBFONLPIPDFIC-AWEZNQCLSA-N 1 2 248.301 2.054 20 30 BEEDLO CCO[C@@H](C[N@H+](CC)[C@H](C)C#N)C1CC1 ZINC000599475331 349196222 /nfs/dbraw/zinc/19/62/22/349196222.db2.gz MJQBJBUVWDGRHZ-PWSUYJOCSA-N 1 2 210.321 2.035 20 30 BEEDLO CCO[C@@H](C[N@@H+](CC)[C@H](C)C#N)C1CC1 ZINC000599475331 349196225 /nfs/dbraw/zinc/19/62/25/349196225.db2.gz MJQBJBUVWDGRHZ-PWSUYJOCSA-N 1 2 210.321 2.035 20 30 BEEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCC)CC1 ZINC000050071918 350281624 /nfs/dbraw/zinc/28/16/24/350281624.db2.gz AVRJXJHIRWGJGS-UHFFFAOYSA-N 1 2 244.766 2.073 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCC)CC1 ZINC000050071918 350281625 /nfs/dbraw/zinc/28/16/25/350281625.db2.gz AVRJXJHIRWGJGS-UHFFFAOYSA-N 1 2 244.766 2.073 20 30 BEEDLO C=C[C@H]([NH2+][C@H](CCC)C1CCC1)C(=O)OC ZINC000324691121 350311587 /nfs/dbraw/zinc/31/15/87/350311587.db2.gz SZFDAVZDJMYRTC-NWDGAFQWSA-N 1 2 225.332 2.272 20 30 BEEDLO CCN(CCC#N)Cc1cccc2[nH+]ccn21 ZINC000271848877 351441092 /nfs/dbraw/zinc/44/10/92/351441092.db2.gz VNFZUXMIYFROGK-UHFFFAOYSA-N 1 2 228.299 2.070 20 30 BEEDLO Cc1nc(C(C)(C)[NH2+]CCC(C)(C)C#N)no1 ZINC000272052731 351451677 /nfs/dbraw/zinc/45/16/77/351451677.db2.gz UUJJWUJJVYLRCR-UHFFFAOYSA-N 1 2 236.319 2.143 20 30 BEEDLO C[C@H]1C[C@H](C/[NH+]=C/c2cccc(O)c2O)CCO1 ZINC000271359508 351413721 /nfs/dbraw/zinc/41/37/21/351413721.db2.gz MYZQEXBVBSVKTI-ALNRQSLMSA-N 1 2 249.310 2.332 20 30 BEEDLO N#Cc1cccc2c1C[N@H+](C[C@@H]1CCCO1)C2 ZINC000405074158 351601323 /nfs/dbraw/zinc/60/13/23/351601323.db2.gz KPKZRWPDPBNVRM-ZDUSSCGKSA-N 1 2 228.295 2.053 20 30 BEEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CCCO1)C2 ZINC000405074158 351601326 /nfs/dbraw/zinc/60/13/26/351601326.db2.gz KPKZRWPDPBNVRM-ZDUSSCGKSA-N 1 2 228.295 2.053 20 30 BEEDLO Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)nc1C ZINC000577742315 366049191 /nfs/dbraw/zinc/04/91/91/366049191.db2.gz LIMRRPIVBKJRDG-CYBMUJFWSA-N 1 2 242.326 2.232 20 30 BEEDLO C=CC[NH+](CC=C)Cc1c2c(nn1C)CCCC2 ZINC000637833977 351688271 /nfs/dbraw/zinc/68/82/71/351688271.db2.gz ZGRIVGUUIYPHFB-UHFFFAOYSA-N 1 2 245.370 2.473 20 30 BEEDLO N#CC[N@H+](CC1Cc2ccccc2C1)C1CC1 ZINC000577805011 366063784 /nfs/dbraw/zinc/06/37/84/366063784.db2.gz CFBIRHHQJIHBFK-UHFFFAOYSA-N 1 2 226.323 2.389 20 30 BEEDLO N#CC[N@@H+](CC1Cc2ccccc2C1)C1CC1 ZINC000577805011 366063788 /nfs/dbraw/zinc/06/37/88/366063788.db2.gz CFBIRHHQJIHBFK-UHFFFAOYSA-N 1 2 226.323 2.389 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)no1 ZINC000278759466 351781799 /nfs/dbraw/zinc/78/17/99/351781799.db2.gz XSJXOIZNJKMSDS-ZYHUDNBSSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)no1 ZINC000278759466 351781802 /nfs/dbraw/zinc/78/18/02/351781802.db2.gz XSJXOIZNJKMSDS-ZYHUDNBSSA-N 1 2 219.288 2.107 20 30 BEEDLO Oc1cccc(/C=[NH+]/C[C@@H]2CCSC2)c1O ZINC000280731422 351857935 /nfs/dbraw/zinc/85/79/35/351857935.db2.gz VHELKPIUKIHNGG-PBJWJZLWSA-N 1 2 237.324 2.270 20 30 BEEDLO Oc1cccc(/C=[NH+]/C[C@H]2CCSC2)c1O ZINC000280731417 351858152 /nfs/dbraw/zinc/85/81/52/351858152.db2.gz VHELKPIUKIHNGG-MRACZJACSA-N 1 2 237.324 2.270 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H]1CCC=CO1 ZINC000292697929 166338891 /nfs/dbraw/zinc/33/88/91/166338891.db2.gz CCFMULSICOTBBP-GFCCVEGCSA-N 1 2 206.289 2.081 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H]1CCC=CO1 ZINC000292697929 166338893 /nfs/dbraw/zinc/33/88/93/166338893.db2.gz CCFMULSICOTBBP-GFCCVEGCSA-N 1 2 206.289 2.081 20 30 BEEDLO Cc1nnsc1C[NH2+]CC1(C#N)CCCC1 ZINC000405171287 352065044 /nfs/dbraw/zinc/06/50/44/352065044.db2.gz ZHESHUNTHWKUOF-UHFFFAOYSA-N 1 2 236.344 2.020 20 30 BEEDLO C=CC[N@@H+](CCOC)[C@@H](C)c1ncc(C)o1 ZINC000362045001 166340612 /nfs/dbraw/zinc/34/06/12/166340612.db2.gz DXDKAOLCZUDARP-NSHDSACASA-N 1 2 224.304 2.178 20 30 BEEDLO C=CC[N@H+](CCOC)[C@@H](C)c1ncc(C)o1 ZINC000362045001 166340615 /nfs/dbraw/zinc/34/06/15/166340615.db2.gz DXDKAOLCZUDARP-NSHDSACASA-N 1 2 224.304 2.178 20 30 BEEDLO CC[C@@](C)(C#N)C(=O)OCc1c[nH+]ccc1OC ZINC000286897161 352106706 /nfs/dbraw/zinc/10/67/06/352106706.db2.gz LCMHXGROAYUURM-ZDUSSCGKSA-N 1 2 248.282 2.073 20 30 BEEDLO C=CCCC(=O)OCc1c[nH+]ccc1OC ZINC000286955218 352108595 /nfs/dbraw/zinc/10/85/95/352108595.db2.gz KUHYQEZAZDTYKD-UHFFFAOYSA-N 1 2 221.256 2.100 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@H]1CCCC1(C)C)C(=O)OC ZINC000386994639 363173477 /nfs/dbraw/zinc/17/34/77/363173477.db2.gz GOIXBLXNAXOBQJ-GHMZBOCLSA-N 1 2 225.332 2.130 20 30 BEEDLO C=CCN(CCC#N)Cc1cn2ccccc2[nH+]1 ZINC000292321457 352315235 /nfs/dbraw/zinc/31/52/35/352315235.db2.gz VVTKMTWDOUQWAS-UHFFFAOYSA-N 1 2 240.310 2.236 20 30 BEEDLO N#CCCCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000292296505 352313357 /nfs/dbraw/zinc/31/33/57/352313357.db2.gz KXJWTNNVKKZWJO-NSHDSACASA-N 1 2 246.314 2.157 20 30 BEEDLO COC[C@H]([NH2+]CCC#N)c1ccc(F)cc1 ZINC000411472798 191187859 /nfs/dbraw/zinc/18/78/59/191187859.db2.gz IGFYMLBTXNACTI-LBPRGKRZSA-N 1 2 222.263 2.016 20 30 BEEDLO CCC[C@H]([NH2+]CCC#N)c1nnc2ccccn21 ZINC000411513137 191190571 /nfs/dbraw/zinc/19/05/71/191190571.db2.gz OELSRVRCYWHXHB-NSHDSACASA-N 1 2 243.314 2.074 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(C)c(OC)c1C)C1CC1 ZINC000274153091 188091409 /nfs/dbraw/zinc/09/14/09/188091409.db2.gz LFGWCLLROWFBCK-UHFFFAOYSA-N 1 2 244.338 2.305 20 30 BEEDLO C#CC[N@H+](Cc1ncc(C)c(OC)c1C)C1CC1 ZINC000274153091 188091411 /nfs/dbraw/zinc/09/14/11/188091411.db2.gz LFGWCLLROWFBCK-UHFFFAOYSA-N 1 2 244.338 2.305 20 30 BEEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(C(C)C)no1 ZINC000266915711 188088472 /nfs/dbraw/zinc/08/84/72/188088472.db2.gz KKYBHTQEFCQILQ-SNVBAGLBSA-N 1 2 221.304 2.209 20 30 BEEDLO C#CC[N@H+](CC)[C@H](C)c1nc(C(C)C)no1 ZINC000266915711 188088473 /nfs/dbraw/zinc/08/84/73/188088473.db2.gz KKYBHTQEFCQILQ-SNVBAGLBSA-N 1 2 221.304 2.209 20 30 BEEDLO C=CCCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267226872 188088650 /nfs/dbraw/zinc/08/86/50/188088650.db2.gz VGGBWRPPCDHHKF-UHFFFAOYSA-N 1 2 247.342 2.472 20 30 BEEDLO CCCO[NH+]=C(N)COc1cc(F)cc(F)c1 ZINC000186834842 535207148 /nfs/dbraw/zinc/20/71/48/535207148.db2.gz ZBYQVDKEDGEQRD-UHFFFAOYSA-N 1 2 244.241 2.042 20 30 BEEDLO C#CC[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126900547 353254461 /nfs/dbraw/zinc/25/44/61/353254461.db2.gz JBLYEZPRBYATSJ-SMDDNHRTSA-N 1 2 233.286 2.221 20 30 BEEDLO C#CC[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126900547 353254465 /nfs/dbraw/zinc/25/44/65/353254465.db2.gz JBLYEZPRBYATSJ-SMDDNHRTSA-N 1 2 233.286 2.221 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc(CCCC)no1 ZINC000127143471 353263485 /nfs/dbraw/zinc/26/34/85/353263485.db2.gz USTGOHHGAWLEKS-UHFFFAOYSA-N 1 2 209.293 2.030 20 30 BEEDLO C=CC[N@H+](C)Cc1nc(CCCC)no1 ZINC000127143471 353263490 /nfs/dbraw/zinc/26/34/90/353263490.db2.gz USTGOHHGAWLEKS-UHFFFAOYSA-N 1 2 209.293 2.030 20 30 BEEDLO CC[N@H+](CCc1c(C)noc1C)C[C@H](C)C#N ZINC000165253625 353264637 /nfs/dbraw/zinc/26/46/37/353264637.db2.gz BSYSJAXCJZEEKS-SNVBAGLBSA-N 1 2 235.331 2.316 20 30 BEEDLO CC[N@@H+](CCc1c(C)noc1C)C[C@H](C)C#N ZINC000165253625 353264638 /nfs/dbraw/zinc/26/46/38/353264638.db2.gz BSYSJAXCJZEEKS-SNVBAGLBSA-N 1 2 235.331 2.316 20 30 BEEDLO C=C(Cl)CN1CCC[N@H+](CC(=C)Cl)CC1 ZINC000071805442 353268209 /nfs/dbraw/zinc/26/82/09/353268209.db2.gz GKHCRPXMSWXOPJ-UHFFFAOYSA-N 1 2 249.185 2.499 20 30 BEEDLO C=C(Cl)CN1CCC[N@@H+](CC(=C)Cl)CC1 ZINC000071805442 353268212 /nfs/dbraw/zinc/26/82/12/353268212.db2.gz GKHCRPXMSWXOPJ-UHFFFAOYSA-N 1 2 249.185 2.499 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000191197413 353446158 /nfs/dbraw/zinc/44/61/58/353446158.db2.gz IVMGXPZBCWBTMK-VWYCJHECSA-N 1 2 243.734 2.012 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000191197413 353446159 /nfs/dbraw/zinc/44/61/59/353446159.db2.gz IVMGXPZBCWBTMK-VWYCJHECSA-N 1 2 243.734 2.012 20 30 BEEDLO C#CC[N@H+]1CCCC[C@@H]1c1nccn1CC ZINC000280990053 353432662 /nfs/dbraw/zinc/43/26/62/353432662.db2.gz LTFYGDGMTJHNAM-GFCCVEGCSA-N 1 2 217.316 2.063 20 30 BEEDLO C#CC[N@@H+]1CCCC[C@@H]1c1nccn1CC ZINC000280990053 353432664 /nfs/dbraw/zinc/43/26/64/353432664.db2.gz LTFYGDGMTJHNAM-GFCCVEGCSA-N 1 2 217.316 2.063 20 30 BEEDLO C#CCCCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000192001103 353531766 /nfs/dbraw/zinc/53/17/66/353531766.db2.gz LNFYCPGLECFJOG-LBPRGKRZSA-N 1 2 245.326 2.267 20 30 BEEDLO C#CC[N@@H+](C)Cc1csc(CCC)n1 ZINC000192227218 353537463 /nfs/dbraw/zinc/53/74/63/353537463.db2.gz NMRROMKQBYFCPN-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO C#CC[N@H+](C)Cc1csc(CCC)n1 ZINC000192227218 353537466 /nfs/dbraw/zinc/53/74/66/353537466.db2.gz NMRROMKQBYFCPN-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1csc(C)n1 ZINC000286046997 353556482 /nfs/dbraw/zinc/55/64/82/353556482.db2.gz IPKAPBHQDHXIAI-UHFFFAOYSA-N 1 2 208.330 2.295 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(C)n1 ZINC000286046997 353556484 /nfs/dbraw/zinc/55/64/84/353556484.db2.gz IPKAPBHQDHXIAI-UHFFFAOYSA-N 1 2 208.330 2.295 20 30 BEEDLO C=CCN(c1cc(N2CCCC2)[nH+]cn1)C1CC1 ZINC000286104292 353557168 /nfs/dbraw/zinc/55/71/68/353557168.db2.gz DECQNDNZFUXQTH-UHFFFAOYSA-N 1 2 244.342 2.232 20 30 BEEDLO C=CCN(c1cc(N2CCCC2)nc[nH+]1)C1CC1 ZINC000286104292 353557169 /nfs/dbraw/zinc/55/71/69/353557169.db2.gz DECQNDNZFUXQTH-UHFFFAOYSA-N 1 2 244.342 2.232 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cnc([C@@H](C)O)s1 ZINC000289025896 353616500 /nfs/dbraw/zinc/61/65/00/353616500.db2.gz GPJNJIJCBHIBJV-SNVBAGLBSA-N 1 2 238.356 2.370 20 30 BEEDLO C#CC[N@@H+](Cc1n[nH]cc1C)Cc1ccccc1 ZINC000291462966 353693310 /nfs/dbraw/zinc/69/33/10/353693310.db2.gz DGMDEVKMUFXTDE-UHFFFAOYSA-N 1 2 239.322 2.354 20 30 BEEDLO C#CC[N@H+](Cc1n[nH]cc1C)Cc1ccccc1 ZINC000291462966 353693313 /nfs/dbraw/zinc/69/33/13/353693313.db2.gz DGMDEVKMUFXTDE-UHFFFAOYSA-N 1 2 239.322 2.354 20 30 BEEDLO C=C[C@H](C)[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000336782134 353702410 /nfs/dbraw/zinc/70/24/10/353702410.db2.gz WSUJEGURUSWXFT-QMMMGPOBSA-N 1 2 219.263 2.121 20 30 BEEDLO C=C[C@@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000336781959 353702911 /nfs/dbraw/zinc/70/29/11/353702911.db2.gz WERAIZTTZJOBQX-SNVBAGLBSA-N 1 2 218.304 2.063 20 30 BEEDLO C=C[C@@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000336781959 353702913 /nfs/dbraw/zinc/70/29/13/353702913.db2.gz WERAIZTTZJOBQX-SNVBAGLBSA-N 1 2 218.304 2.063 20 30 BEEDLO C#CC[N@@H+](Cc1cc(OC)ccc1F)C1CC1 ZINC000293771846 353756994 /nfs/dbraw/zinc/75/69/94/353756994.db2.gz ZZDPIXFDHWEBMO-UHFFFAOYSA-N 1 2 233.286 2.432 20 30 BEEDLO C#CC[N@H+](Cc1cc(OC)ccc1F)C1CC1 ZINC000293771846 353756997 /nfs/dbraw/zinc/75/69/97/353756997.db2.gz ZZDPIXFDHWEBMO-UHFFFAOYSA-N 1 2 233.286 2.432 20 30 BEEDLO CC#CC[N@H+](C)Cc1cn2c(cccc2C)n1 ZINC000293285512 353739622 /nfs/dbraw/zinc/73/96/22/353739622.db2.gz VRBFGHDDKDZDAB-UHFFFAOYSA-N 1 2 227.311 2.098 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cn2c(cccc2C)n1 ZINC000293285512 353739623 /nfs/dbraw/zinc/73/96/23/353739623.db2.gz VRBFGHDDKDZDAB-UHFFFAOYSA-N 1 2 227.311 2.098 20 30 BEEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H]1C ZINC000293375785 353746833 /nfs/dbraw/zinc/74/68/33/353746833.db2.gz JMZHSGURQOWMIP-HTRCEHHLSA-N 1 2 204.111 2.235 20 30 BEEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293375785 353746835 /nfs/dbraw/zinc/74/68/35/353746835.db2.gz JMZHSGURQOWMIP-HTRCEHHLSA-N 1 2 204.111 2.235 20 30 BEEDLO C[N@H+](CCC#N)CCc1cccc(F)c1F ZINC000343609884 353932813 /nfs/dbraw/zinc/93/28/13/353932813.db2.gz MLZZJRURRLYEEW-UHFFFAOYSA-N 1 2 224.254 2.353 20 30 BEEDLO C[N@@H+](CCC#N)CCc1cccc(F)c1F ZINC000343609884 353932815 /nfs/dbraw/zinc/93/28/15/353932815.db2.gz MLZZJRURRLYEEW-UHFFFAOYSA-N 1 2 224.254 2.353 20 30 BEEDLO N#CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019513092 181035701 /nfs/dbraw/zinc/03/57/01/181035701.db2.gz QTFSHVMMAWOROS-UHFFFAOYSA-N 1 2 243.354 2.108 20 30 BEEDLO COC[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000343582330 353939625 /nfs/dbraw/zinc/93/96/25/353939625.db2.gz OSSOLWHKXHJXMI-CYBMUJFWSA-N 1 2 230.311 2.267 20 30 BEEDLO Cc1ccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)c(C)[nH+]1 ZINC000334540107 353973293 /nfs/dbraw/zinc/97/32/93/353973293.db2.gz GPUYAJMELDYNNT-ISVAXAHUSA-N 1 2 229.283 2.187 20 30 BEEDLO CC[N@@H+](Cc1cncc(OC)c1)C[C@H](C)C#N ZINC000343992312 354063554 /nfs/dbraw/zinc/06/35/54/354063554.db2.gz UUIRRYKPSWHLJM-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO CC[N@H+](Cc1cncc(OC)c1)C[C@H](C)C#N ZINC000343992312 354063558 /nfs/dbraw/zinc/06/35/58/354063558.db2.gz UUIRRYKPSWHLJM-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO N#Cc1c(F)cccc1NCCn1cc[nH+]c1 ZINC000105791268 181076227 /nfs/dbraw/zinc/07/62/27/181076227.db2.gz VVRHROIEXMFPFC-UHFFFAOYSA-N 1 2 230.246 2.006 20 30 BEEDLO CN(C)c1ccccc1C[N@H+](C)CC1(C#N)CC1 ZINC000344125951 354146237 /nfs/dbraw/zinc/14/62/37/354146237.db2.gz XMWARIKLJFZCTB-UHFFFAOYSA-N 1 2 243.354 2.488 20 30 BEEDLO CN(C)c1ccccc1C[N@@H+](C)CC1(C#N)CC1 ZINC000344125951 354146239 /nfs/dbraw/zinc/14/62/39/354146239.db2.gz XMWARIKLJFZCTB-UHFFFAOYSA-N 1 2 243.354 2.488 20 30 BEEDLO C=CCSCCNc1cc[nH+]c(C)n1 ZINC000230901837 363328506 /nfs/dbraw/zinc/32/85/06/363328506.db2.gz NPVVPWNKROFAIL-UHFFFAOYSA-N 1 2 209.318 2.116 20 30 BEEDLO N#Cc1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000040505247 181109443 /nfs/dbraw/zinc/10/94/43/181109443.db2.gz IRPFIQXRDKQAKC-UHFFFAOYSA-N 1 2 229.308 2.305 20 30 BEEDLO N#Cc1ccc(CN2CCC[C@H]2c2[nH]cc[nH+]2)o1 ZINC000336401606 181103346 /nfs/dbraw/zinc/10/33/46/181103346.db2.gz AIIQVQMPZZNRIK-LBPRGKRZSA-N 1 2 242.282 2.211 20 30 BEEDLO N#Cc1ccc(NCCCn2cc[nH+]c2)cc1 ZINC000020362095 181121548 /nfs/dbraw/zinc/12/15/48/181121548.db2.gz AJIHXOMWUDDDGG-UHFFFAOYSA-N 1 2 226.283 2.257 20 30 BEEDLO Cc1c(C#N)cccc1NCc1[nH+]ccn1C ZINC000179057993 366202237 /nfs/dbraw/zinc/20/22/37/366202237.db2.gz SJHZWNYWRPKCDA-UHFFFAOYSA-N 1 2 226.283 2.212 20 30 BEEDLO N#Cc1ccc(OCC[N@H+]2CCC=C(F)C2)cc1 ZINC000271601070 181127217 /nfs/dbraw/zinc/12/72/17/181127217.db2.gz IMQUBTBVSMEPCY-UHFFFAOYSA-N 1 2 246.285 2.496 20 30 BEEDLO N#Cc1ccc(OCC[N@@H+]2CCC=C(F)C2)cc1 ZINC000271601070 181127220 /nfs/dbraw/zinc/12/72/20/181127220.db2.gz IMQUBTBVSMEPCY-UHFFFAOYSA-N 1 2 246.285 2.496 20 30 BEEDLO C=CCC(C)(C)c1noc(Cc2c[nH+]cn2C)n1 ZINC000349722708 366219086 /nfs/dbraw/zinc/21/90/86/366219086.db2.gz HNRSJGFZNPOCNF-UHFFFAOYSA-N 1 2 246.314 2.248 20 30 BEEDLO Cc1cc(C)c(NC(=O)N[C@@H](C)CC#N)c(C)[nH+]1 ZINC000334704668 354498037 /nfs/dbraw/zinc/49/80/37/354498037.db2.gz HNMYJTKZGHNQPA-VIFPVBQESA-N 1 2 246.314 2.431 20 30 BEEDLO N#Cc1cccc(OCCOc2cc[nH+]cc2)c1 ZINC000356094485 181142912 /nfs/dbraw/zinc/14/29/12/181142912.db2.gz LYNUBWRLMAJSDM-UHFFFAOYSA-N 1 2 240.262 2.411 20 30 BEEDLO N#Cc1cccc(OCC[N@H+]2CCC=C(F)C2)c1 ZINC000271682468 181143067 /nfs/dbraw/zinc/14/30/67/181143067.db2.gz ZLWKFYOENMFYGV-UHFFFAOYSA-N 1 2 246.285 2.496 20 30 BEEDLO N#Cc1cccc(OCC[N@@H+]2CCC=C(F)C2)c1 ZINC000271682468 181143070 /nfs/dbraw/zinc/14/30/70/181143070.db2.gz ZLWKFYOENMFYGV-UHFFFAOYSA-N 1 2 246.285 2.496 20 30 BEEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCC(C)(C)C#N ZINC000345706254 354753960 /nfs/dbraw/zinc/75/39/60/354753960.db2.gz FXVRBFNSHMFPRK-NSHDSACASA-N 1 2 240.347 2.198 20 30 BEEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCC(C)(C)C#N ZINC000345706254 354753964 /nfs/dbraw/zinc/75/39/64/354753964.db2.gz FXVRBFNSHMFPRK-NSHDSACASA-N 1 2 240.347 2.198 20 30 BEEDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCC(C)(C)C#N ZINC000345706252 354754181 /nfs/dbraw/zinc/75/41/81/354754181.db2.gz FXVRBFNSHMFPRK-LLVKDONJSA-N 1 2 240.347 2.198 20 30 BEEDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCC(C)(C)C#N ZINC000345706252 354754184 /nfs/dbraw/zinc/75/41/84/354754184.db2.gz FXVRBFNSHMFPRK-LLVKDONJSA-N 1 2 240.347 2.198 20 30 BEEDLO C=C(C)CN(CC)c1nc[nH+]c(N)c1Cl ZINC000233450820 363402240 /nfs/dbraw/zinc/40/22/40/363402240.db2.gz FOLJXHLXHQPXEJ-UHFFFAOYSA-N 1 2 226.711 2.115 20 30 BEEDLO C=C(C)CN(CC)c1[nH+]cnc(N)c1Cl ZINC000233450820 363402243 /nfs/dbraw/zinc/40/22/43/363402243.db2.gz FOLJXHLXHQPXEJ-UHFFFAOYSA-N 1 2 226.711 2.115 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)C(=O)OC ZINC000301047799 363380151 /nfs/dbraw/zinc/38/01/51/363380151.db2.gz PVRMYMZHILZWLZ-TUAOUCFPSA-N 1 2 225.332 2.130 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)C(=O)OC ZINC000301051481 363396502 /nfs/dbraw/zinc/39/65/02/363396502.db2.gz UPCMYSNRIPBDSN-YFKTTZPYSA-N 1 2 225.332 2.128 20 30 BEEDLO N#Cc1csc(CNc2ccc(CO)c[nH+]2)c1 ZINC000356302827 181166997 /nfs/dbraw/zinc/16/69/97/181166997.db2.gz MBUQJRZASQBKGR-UHFFFAOYSA-N 1 2 245.307 2.119 20 30 BEEDLO CC[C@H](C[N@H+](CCC#N)Cc1ccco1)OC ZINC000412976808 191347776 /nfs/dbraw/zinc/34/77/76/191347776.db2.gz KBYJBBUQRNDKPU-GFCCVEGCSA-N 1 2 236.315 2.420 20 30 BEEDLO CC[C@H](C[N@@H+](CCC#N)Cc1ccco1)OC ZINC000412976808 191347777 /nfs/dbraw/zinc/34/77/77/191347777.db2.gz KBYJBBUQRNDKPU-GFCCVEGCSA-N 1 2 236.315 2.420 20 30 BEEDLO C=C(C)CN(CC)c1cc(NC2CC2)[nH+]cn1 ZINC000413050652 191351538 /nfs/dbraw/zinc/35/15/38/191351538.db2.gz VRIMCFFQDSUXKR-UHFFFAOYSA-N 1 2 232.331 2.453 20 30 BEEDLO C=C(C)CN(CC)c1cc(NC2CC2)nc[nH+]1 ZINC000413050652 191351540 /nfs/dbraw/zinc/35/15/40/191351540.db2.gz VRIMCFFQDSUXKR-UHFFFAOYSA-N 1 2 232.331 2.453 20 30 BEEDLO Cc1cc(NCC(C)(C)CC#N)nc(C2CC2)[nH+]1 ZINC000413413324 191381104 /nfs/dbraw/zinc/38/11/04/191381104.db2.gz UBGMJCZJLMKZEB-UHFFFAOYSA-N 1 2 244.342 2.436 20 30 BEEDLO Cc1cc(F)cc2c1C[N@H+](CCC#N)CC2 ZINC000335740796 355390901 /nfs/dbraw/zinc/39/09/01/355390901.db2.gz QBFOVVBQQDJVQA-UHFFFAOYSA-N 1 2 218.275 2.406 20 30 BEEDLO Cc1cc(F)cc2c1C[N@@H+](CCC#N)CC2 ZINC000335740796 355390903 /nfs/dbraw/zinc/39/09/03/355390903.db2.gz QBFOVVBQQDJVQA-UHFFFAOYSA-N 1 2 218.275 2.406 20 30 BEEDLO C=C[C@H](Cc1nc(C[NH2+]C)no1)c1ccccc1 ZINC000349909474 355523937 /nfs/dbraw/zinc/52/39/37/355523937.db2.gz KXFWLVACQCURPA-LLVKDONJSA-N 1 2 243.310 2.301 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1occc1C(=O)OC ZINC000351067488 355941606 /nfs/dbraw/zinc/94/16/06/355941606.db2.gz VSLPXUBTTQMCDD-UHFFFAOYSA-N 1 2 223.272 2.074 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1occc1C(=O)OC ZINC000351067488 355941608 /nfs/dbraw/zinc/94/16/08/355941608.db2.gz VSLPXUBTTQMCDD-UHFFFAOYSA-N 1 2 223.272 2.074 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000352097921 134064569 /nfs/dbraw/zinc/06/45/69/134064569.db2.gz XKNRCQTYTQACKK-SNVBAGLBSA-N 1 2 234.347 2.299 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000352097921 134064570 /nfs/dbraw/zinc/06/45/70/134064570.db2.gz XKNRCQTYTQACKK-SNVBAGLBSA-N 1 2 234.347 2.299 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000034492675 355896497 /nfs/dbraw/zinc/89/64/97/355896497.db2.gz WOKKNRMUNQOEFD-LBPRGKRZSA-N 1 2 201.273 2.132 20 30 BEEDLO N#CCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000034492675 355896499 /nfs/dbraw/zinc/89/64/99/355896499.db2.gz WOKKNRMUNQOEFD-LBPRGKRZSA-N 1 2 201.273 2.132 20 30 BEEDLO C=C(C)C[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608749507 355971886 /nfs/dbraw/zinc/97/18/86/355971886.db2.gz JJJUMNJGDWANBT-DTWKUNHWSA-N 1 2 223.238 2.214 20 30 BEEDLO C=C(C)C[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608749507 355971890 /nfs/dbraw/zinc/97/18/90/355971890.db2.gz JJJUMNJGDWANBT-DTWKUNHWSA-N 1 2 223.238 2.214 20 30 BEEDLO C=C(CC)C[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623262306 356164164 /nfs/dbraw/zinc/16/41/64/356164164.db2.gz WULHYSJQLPXMAX-UHFFFAOYSA-N 1 2 244.338 2.431 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCO1 ZINC000035216089 356313002 /nfs/dbraw/zinc/31/30/02/356313002.db2.gz SFUZOXYSMUFAPZ-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCO1 ZINC000035216089 356313005 /nfs/dbraw/zinc/31/30/05/356313005.db2.gz SFUZOXYSMUFAPZ-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO C=CC[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000617784217 356366580 /nfs/dbraw/zinc/36/65/80/356366580.db2.gz PBIDHFPGSSLLGE-CYBMUJFWSA-N 1 2 247.342 2.088 20 30 BEEDLO C=CC(C)(C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000449933532 202057220 /nfs/dbraw/zinc/05/72/20/202057220.db2.gz BXKMNKVLNPVABP-UHFFFAOYSA-N 1 2 249.358 2.368 20 30 BEEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000336260893 134141525 /nfs/dbraw/zinc/14/15/25/134141525.db2.gz RSTOYSKJUSQYCP-LBPRGKRZSA-N 1 2 235.331 2.460 20 30 BEEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1CC1(C#N)CCC1 ZINC000336260893 134141526 /nfs/dbraw/zinc/14/15/26/134141526.db2.gz RSTOYSKJUSQYCP-LBPRGKRZSA-N 1 2 235.331 2.460 20 30 BEEDLO C=CC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000336563409 134149852 /nfs/dbraw/zinc/14/98/52/134149852.db2.gz KDXQZDMENGRGDV-UHFFFAOYSA-N 1 2 203.289 2.187 20 30 BEEDLO C=C(C)CN(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000302864281 134158261 /nfs/dbraw/zinc/15/82/61/134158261.db2.gz XLVGEHVUBNFJFP-UHFFFAOYSA-N 1 2 232.331 2.089 20 30 BEEDLO C=C(C)CN(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000302864281 134158262 /nfs/dbraw/zinc/15/82/62/134158262.db2.gz XLVGEHVUBNFJFP-UHFFFAOYSA-N 1 2 232.331 2.089 20 30 BEEDLO Cc1cccc(C[NH2+]C[C@H](C)C#N)c1F ZINC000384624760 356698673 /nfs/dbraw/zinc/69/86/73/356698673.db2.gz JBUZHEHQMLTAPZ-SECBINFHSA-N 1 2 206.264 2.383 20 30 BEEDLO CCCCOc1ncccc1C[NH2+]CCC#N ZINC000582541184 357340956 /nfs/dbraw/zinc/34/09/56/357340956.db2.gz BKILRCQTNPBFJS-UHFFFAOYSA-N 1 2 233.315 2.264 20 30 BEEDLO C=CCN(CCOC)c1cc[nH+]c(C(C)C)n1 ZINC000189634333 357650404 /nfs/dbraw/zinc/65/04/04/357650404.db2.gz MKJBFCLBWWTZHN-UHFFFAOYSA-N 1 2 235.331 2.239 20 30 BEEDLO C=C(C)C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000375791129 134240682 /nfs/dbraw/zinc/24/06/82/134240682.db2.gz JZCKHGKJVYNHQM-LLVKDONJSA-N 1 2 207.273 2.229 20 30 BEEDLO CCOc1ccc(C[N@H+](C)C[C@H](C)C#N)nc1 ZINC000610675398 358063411 /nfs/dbraw/zinc/06/34/11/358063411.db2.gz DNMCBUKSINKFOO-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO CCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)nc1 ZINC000610675398 358063412 /nfs/dbraw/zinc/06/34/12/358063412.db2.gz DNMCBUKSINKFOO-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO C[N@H+](Cc1cn[nH]c1)Cc1cc(F)ccc1C#N ZINC000610728861 358128588 /nfs/dbraw/zinc/12/85/88/358128588.db2.gz OMALFLFKZACTDP-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C[N@@H+](Cc1cn[nH]c1)Cc1cc(F)ccc1C#N ZINC000610728861 358128591 /nfs/dbraw/zinc/12/85/91/358128591.db2.gz OMALFLFKZACTDP-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C=C(C)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000450718887 202243633 /nfs/dbraw/zinc/24/36/33/202243633.db2.gz UTRRTFNTCOJKEE-UHFFFAOYSA-N 1 2 217.316 2.462 20 30 BEEDLO C=CCOCCCC(=O)Nc1cc[nH+]cc1C ZINC000173124458 134273709 /nfs/dbraw/zinc/27/37/09/134273709.db2.gz HWGLFRRPMWRKHS-UHFFFAOYSA-N 1 2 234.299 2.311 20 30 BEEDLO C=CCCc1noc(Cc2ccc[nH+]c2C)n1 ZINC000351131122 366413799 /nfs/dbraw/zinc/41/37/99/366413799.db2.gz MILZDPFSGIKRLD-UHFFFAOYSA-N 1 2 229.283 2.482 20 30 BEEDLO N#Cc1ccnc(NCCCCn2cc[nH+]c2)c1 ZINC000045108314 358401024 /nfs/dbraw/zinc/40/10/24/358401024.db2.gz IMJUVXNLIJYOOT-UHFFFAOYSA-N 1 2 241.298 2.042 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000044389216 358549142 /nfs/dbraw/zinc/54/91/42/358549142.db2.gz DIWQZABFGCULPI-NSHDSACASA-N 1 2 213.284 2.150 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000044389216 358549145 /nfs/dbraw/zinc/54/91/45/358549145.db2.gz DIWQZABFGCULPI-NSHDSACASA-N 1 2 213.284 2.150 20 30 BEEDLO CC#CC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000246550443 359147062 /nfs/dbraw/zinc/14/70/62/359147062.db2.gz DCJDRTYCHFRKDW-UKRRQHHQSA-N 1 2 229.323 2.472 20 30 BEEDLO CC#CC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000246550443 359147066 /nfs/dbraw/zinc/14/70/66/359147066.db2.gz DCJDRTYCHFRKDW-UKRRQHHQSA-N 1 2 229.323 2.472 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H](C)c1cccc(C)c1)C(=O)OC ZINC000619701967 363632276 /nfs/dbraw/zinc/63/22/76/363632276.db2.gz AWWXZDPGSRAQFZ-JSGCOSHPSA-N 1 2 247.338 2.416 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C(=O)OC ZINC000619701522 363633065 /nfs/dbraw/zinc/63/30/65/363633065.db2.gz LVYLDWFPERIVIJ-TZMCWYRMSA-N 1 2 245.322 2.034 20 30 BEEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC1(C#N)CC1 ZINC000611430777 359369015 /nfs/dbraw/zinc/36/90/15/359369015.db2.gz AGWOMWHFFHWSHD-GFCCVEGCSA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC1(C#N)CC1 ZINC000611430777 359369022 /nfs/dbraw/zinc/36/90/22/359369022.db2.gz AGWOMWHFFHWSHD-GFCCVEGCSA-N 1 2 244.342 2.033 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C[C@H]1F ZINC000611501353 359383337 /nfs/dbraw/zinc/38/33/37/359383337.db2.gz AZOSAQSITAIOOE-ZWNOBZJWSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C[C@H]1F ZINC000611501353 359383343 /nfs/dbraw/zinc/38/33/43/359383343.db2.gz AZOSAQSITAIOOE-ZWNOBZJWSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@H]1F ZINC000611521417 359389036 /nfs/dbraw/zinc/38/90/36/359389036.db2.gz FTIOJKQGNCXOGH-BXKDBHETSA-N 1 2 222.263 2.331 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@H]1F ZINC000611521417 359389041 /nfs/dbraw/zinc/38/90/41/359389041.db2.gz FTIOJKQGNCXOGH-BXKDBHETSA-N 1 2 222.263 2.331 20 30 BEEDLO C=CC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000628493704 359670176 /nfs/dbraw/zinc/67/01/76/359670176.db2.gz VQESBJOPPVGZCE-RYUDHWBXSA-N 1 2 247.342 2.013 20 30 BEEDLO C=CC[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000628493704 359670180 /nfs/dbraw/zinc/67/01/80/359670180.db2.gz VQESBJOPPVGZCE-RYUDHWBXSA-N 1 2 247.342 2.013 20 30 BEEDLO Cc1noc(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167005 359715463 /nfs/dbraw/zinc/71/54/63/359715463.db2.gz ZFLPPEBUIJKSKW-ZDUSSCGKSA-N 1 2 233.315 2.417 20 30 BEEDLO Cc1noc(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167005 359715478 /nfs/dbraw/zinc/71/54/78/359715478.db2.gz ZFLPPEBUIJKSKW-ZDUSSCGKSA-N 1 2 233.315 2.417 20 30 BEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000450799680 202270118 /nfs/dbraw/zinc/27/01/18/202270118.db2.gz BGBJFXWWMNYRSM-NEPJUHHUSA-N 1 2 247.342 2.167 20 30 BEEDLO CCn1cc[nH+]c1[C@@H](C)Nc1cccc(C#N)n1 ZINC000450827211 202277240 /nfs/dbraw/zinc/27/72/40/202277240.db2.gz HOTFJLFKTGMCFD-SNVBAGLBSA-N 1 2 241.298 2.343 20 30 BEEDLO C=C(CC)CNc1cc[nH+]c(C(C)C)n1 ZINC000450909326 202306293 /nfs/dbraw/zinc/30/62/93/202306293.db2.gz HZPRZGXEQMEYPX-UHFFFAOYSA-N 1 2 205.305 2.400 20 30 BEEDLO C[N@H+](Cc1ccoc1)Cc1cc(C#N)ccn1 ZINC001641565341 1172265577 /nfs/dbraw/zinc/26/55/77/1172265577.db2.gz RSNDESXXWINEJY-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C[N@@H+](Cc1ccoc1)Cc1cc(C#N)ccn1 ZINC001641565341 1172265582 /nfs/dbraw/zinc/26/55/82/1172265582.db2.gz RSNDESXXWINEJY-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C[C@@]1(F)CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000451114288 202351469 /nfs/dbraw/zinc/35/14/69/202351469.db2.gz CZJWHZIGVFZJDF-NWDGAFQWSA-N 1 2 223.295 2.254 20 30 BEEDLO C[C@@]1(F)CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000451114288 202351470 /nfs/dbraw/zinc/35/14/70/202351470.db2.gz CZJWHZIGVFZJDF-NWDGAFQWSA-N 1 2 223.295 2.254 20 30 BEEDLO CC[C@@H](C)Oc1cc(C[NH2+]CCC#N)ccn1 ZINC000578524190 366590178 /nfs/dbraw/zinc/59/01/78/366590178.db2.gz LRXXMTODEXWPSW-LLVKDONJSA-N 1 2 233.315 2.262 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ncccc1C(F)(F)F ZINC000612584580 359897035 /nfs/dbraw/zinc/89/70/35/359897035.db2.gz QNBVCXMVYIUCAE-QMMMGPOBSA-N 1 2 243.232 2.492 20 30 BEEDLO Cc1ccn2c(CN(C)[C@@H](C)CC#N)c[nH+]c2c1 ZINC000093090682 360218764 /nfs/dbraw/zinc/21/87/64/360218764.db2.gz XXRFOUDNRJQBRT-LBPRGKRZSA-N 1 2 242.326 2.377 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cn2cccc(F)c2n1 ZINC000613043433 360296580 /nfs/dbraw/zinc/29/65/80/360296580.db2.gz ORHVMFMWWNOOJV-JTQLQIEISA-N 1 2 246.289 2.255 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccc(C#N)cc1F ZINC000067407273 370668934 /nfs/dbraw/zinc/66/89/34/370668934.db2.gz BZWSVYVMIXDFIR-SECBINFHSA-N 1 2 217.247 2.089 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(C)nc1 ZINC000153731341 360778377 /nfs/dbraw/zinc/77/83/77/360778377.db2.gz IYINIUVKWYDNBI-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(C)nc1 ZINC000153731341 360778382 /nfs/dbraw/zinc/77/83/82/360778382.db2.gz IYINIUVKWYDNBI-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC[C@H]1COCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000036326359 360905292 /nfs/dbraw/zinc/90/52/92/360905292.db2.gz YUFXBQRUXCSLCB-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@H]1COCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000036326359 360905296 /nfs/dbraw/zinc/90/52/96/360905296.db2.gz YUFXBQRUXCSLCB-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO C=CC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000613208696 361230244 /nfs/dbraw/zinc/23/02/44/361230244.db2.gz DXRGPAPZORAEEF-JTQLQIEISA-N 1 2 207.277 2.091 20 30 BEEDLO C=CC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000613208696 361230248 /nfs/dbraw/zinc/23/02/48/361230248.db2.gz DXRGPAPZORAEEF-JTQLQIEISA-N 1 2 207.277 2.091 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000066471060 361291014 /nfs/dbraw/zinc/29/10/14/361291014.db2.gz LFFQDJRHLDSZPO-MNOVXSKESA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000066471060 361291015 /nfs/dbraw/zinc/29/10/15/361291015.db2.gz LFFQDJRHLDSZPO-MNOVXSKESA-N 1 2 203.289 2.234 20 30 BEEDLO Cc1ccoc1C[N@@H+](C)CC1(C#N)CC1 ZINC000429359287 201103872 /nfs/dbraw/zinc/10/38/72/201103872.db2.gz CJXKLWFSSIGMRO-UHFFFAOYSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1ccoc1C[N@H+](C)CC1(C#N)CC1 ZINC000429359287 201103876 /nfs/dbraw/zinc/10/38/76/201103876.db2.gz CJXKLWFSSIGMRO-UHFFFAOYSA-N 1 2 204.273 2.324 20 30 BEEDLO C=C(C)c1ccc(NCCCn2cc[nH+]c2)nc1 ZINC000629729929 361668776 /nfs/dbraw/zinc/66/87/76/361668776.db2.gz KFGSTBHXYINWDZ-UHFFFAOYSA-N 1 2 242.326 2.235 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccon1 ZINC000614401072 363805455 /nfs/dbraw/zinc/80/54/55/363805455.db2.gz ZKGSAONGXMUFJS-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccon1 ZINC000614401072 363805458 /nfs/dbraw/zinc/80/54/58/363805458.db2.gz ZKGSAONGXMUFJS-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000619718643 363917821 /nfs/dbraw/zinc/91/78/21/363917821.db2.gz SFPLBMOKSRSRDD-QWHCGFSZSA-N 1 2 231.295 2.161 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000619718643 363917825 /nfs/dbraw/zinc/91/78/25/363917825.db2.gz SFPLBMOKSRSRDD-QWHCGFSZSA-N 1 2 231.295 2.161 20 30 BEEDLO N#CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000133844295 364372234 /nfs/dbraw/zinc/37/22/34/364372234.db2.gz UORJHCJTJPSSRV-QWHCGFSZSA-N 1 2 200.285 2.436 20 30 BEEDLO C=CCC1(NC(=O)CCc2[nH]cc[nH+]2)CCCC1 ZINC000619110611 364470129 /nfs/dbraw/zinc/47/01/29/364470129.db2.gz HESVFJHTZFOIPM-UHFFFAOYSA-N 1 2 247.342 2.347 20 30 BEEDLO N#CCCC[NH2+]Cc1cccc(Cl)c1O ZINC000273150069 364754919 /nfs/dbraw/zinc/75/49/19/364754919.db2.gz HLEFZPUHOJNQRK-UHFFFAOYSA-N 1 2 224.691 2.439 20 30 BEEDLO CO[C@H](C)[C@H](C)[NH2+][C@@H](C#N)C1CCCCC1 ZINC000191711131 541423161 /nfs/dbraw/zinc/42/31/61/541423161.db2.gz DBHCKMIOKFJZKD-LOWVWBTDSA-N 1 2 224.348 2.472 20 30 BEEDLO C[C@H](CCC#N)[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000574169220 365002606 /nfs/dbraw/zinc/00/26/06/365002606.db2.gz DYZAFEGMJMNSSL-LLVKDONJSA-N 1 2 243.310 2.133 20 30 BEEDLO C[C@H](CCC#N)[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000574169220 365002612 /nfs/dbraw/zinc/00/26/12/365002612.db2.gz DYZAFEGMJMNSSL-LLVKDONJSA-N 1 2 243.310 2.133 20 30 BEEDLO C=C(CC)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000574291646 365031423 /nfs/dbraw/zinc/03/14/23/365031423.db2.gz GGFREFLEXWRNFO-UHFFFAOYSA-N 1 2 243.310 2.339 20 30 BEEDLO CC(C)c1nnc(C[NH+]2CCC(CC#N)CC2)[nH]1 ZINC000574823340 365153354 /nfs/dbraw/zinc/15/33/54/365153354.db2.gz AHADVNOVLPFCJQ-UHFFFAOYSA-N 1 2 247.346 2.054 20 30 BEEDLO N#Cc1ccc(SCc2cc[nH+]c(N)c2)nc1 ZINC000443480768 193022603 /nfs/dbraw/zinc/02/26/03/193022603.db2.gz CNVKMPDGODAFGC-UHFFFAOYSA-N 1 2 242.307 2.053 20 30 BEEDLO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)CC#N ZINC000068615037 370821159 /nfs/dbraw/zinc/82/11/59/370821159.db2.gz AYGLBJUWFXXSMY-GFCCVEGCSA-N 1 2 245.326 2.134 20 30 BEEDLO C=CC(C)(C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565719006 325948728 /nfs/dbraw/zinc/94/87/28/325948728.db2.gz HRZULSBFBYJCCA-NSHDSACASA-N 1 2 235.331 2.163 20 30 BEEDLO Cc1cccc2nc(C[NH2+][C@H](C)CC#N)cn21 ZINC000069037601 370876445 /nfs/dbraw/zinc/87/64/45/370876445.db2.gz YZWWDZLOLIHWQD-SNVBAGLBSA-N 1 2 228.299 2.035 20 30 BEEDLO Cc1cccc2[nH+]c(CN[C@H](C)CC#N)cn21 ZINC000069037601 370876450 /nfs/dbraw/zinc/87/64/50/370876450.db2.gz YZWWDZLOLIHWQD-SNVBAGLBSA-N 1 2 228.299 2.035 20 30 BEEDLO C=CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000581833988 367838387 /nfs/dbraw/zinc/83/83/87/367838387.db2.gz BYPBKQNFIFDDMC-UHFFFAOYSA-N 1 2 235.331 2.205 20 30 BEEDLO C=CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000581833988 367838392 /nfs/dbraw/zinc/83/83/92/367838392.db2.gz BYPBKQNFIFDDMC-UHFFFAOYSA-N 1 2 235.331 2.205 20 30 BEEDLO C=C(C)CN(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455553481 202888453 /nfs/dbraw/zinc/88/84/53/202888453.db2.gz CMORIUGZXMKMJJ-UHFFFAOYSA-N 1 2 247.342 2.416 20 30 BEEDLO CCc1nc(C[NH+]2CCC(C#N)CC2)cs1 ZINC000060893257 368555027 /nfs/dbraw/zinc/55/50/27/368555027.db2.gz AQPWBASMWRCFKK-UHFFFAOYSA-N 1 2 235.356 2.441 20 30 BEEDLO CC[C@@H](Nc1ccc(C#N)cn1)c1[nH]cc[nH+]1 ZINC000139797232 370919443 /nfs/dbraw/zinc/91/94/43/370919443.db2.gz OXVSBVUITIHWAQ-SNVBAGLBSA-N 1 2 227.271 2.240 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccc(F)cc1 ZINC000072895336 368784348 /nfs/dbraw/zinc/78/43/48/368784348.db2.gz GQNSJJPJJDYLJV-NSHDSACASA-N 1 2 236.290 2.296 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000072895336 368784349 /nfs/dbraw/zinc/78/43/49/368784349.db2.gz GQNSJJPJJDYLJV-NSHDSACASA-N 1 2 236.290 2.296 20 30 BEEDLO CC[N@H+](CC(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340353 369067529 /nfs/dbraw/zinc/06/75/29/369067529.db2.gz LRNWKNLGUVCYKD-LLVKDONJSA-N 1 2 246.310 2.114 20 30 BEEDLO CC[N@@H+](CC(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340353 369067532 /nfs/dbraw/zinc/06/75/32/369067532.db2.gz LRNWKNLGUVCYKD-LLVKDONJSA-N 1 2 246.310 2.114 20 30 BEEDLO C=CCC1(NC(=O)c2c[nH+]c(C)[nH]2)CCCC1 ZINC000619103942 369283790 /nfs/dbraw/zinc/28/37/90/369283790.db2.gz FWJOIYPBWQECEY-UHFFFAOYSA-N 1 2 233.315 2.337 20 30 BEEDLO CC[NH+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459312731 203246807 /nfs/dbraw/zinc/24/68/07/203246807.db2.gz TVFVAJZWCZPUFL-UHFFFAOYSA-N 1 2 233.271 2.308 20 30 BEEDLO CC[N@@H+](Cc1cnc(C2CC2)nc1)C[C@@H](C)C#N ZINC000459325196 203258299 /nfs/dbraw/zinc/25/82/99/203258299.db2.gz LJRDUKVTIXHFPK-NSHDSACASA-N 1 2 244.342 2.336 20 30 BEEDLO CC[N@H+](Cc1cnc(C2CC2)nc1)C[C@@H](C)C#N ZINC000459325196 203258302 /nfs/dbraw/zinc/25/83/02/203258302.db2.gz LJRDUKVTIXHFPK-NSHDSACASA-N 1 2 244.342 2.336 20 30 BEEDLO CC[N@@H+](Cc1cnc(C2CC2)nc1)C[C@H](C)C#N ZINC000459325195 203259109 /nfs/dbraw/zinc/25/91/09/203259109.db2.gz LJRDUKVTIXHFPK-LLVKDONJSA-N 1 2 244.342 2.336 20 30 BEEDLO CC[N@H+](Cc1cnc(C2CC2)nc1)C[C@H](C)C#N ZINC000459325195 203259113 /nfs/dbraw/zinc/25/91/13/203259113.db2.gz LJRDUKVTIXHFPK-LLVKDONJSA-N 1 2 244.342 2.336 20 30 BEEDLO C[C@H](CC1CCOCC1)C[NH+]1CC(C)(C#N)C1 ZINC000459587311 203308194 /nfs/dbraw/zinc/30/81/94/203308194.db2.gz FXTRUQSMXMKPJX-GFCCVEGCSA-N 1 2 236.359 2.285 20 30 BEEDLO C=CCOc1ccccc1C[NH+]1CC(C)(OC)C1 ZINC000459575497 203305331 /nfs/dbraw/zinc/30/53/31/203305331.db2.gz FRBYNOFGRYERHO-UHFFFAOYSA-N 1 2 247.338 2.472 20 30 BEEDLO C[N@H+](Cc1ccns1)[C@H]1CCC[C@@H]1C#N ZINC000404439645 369429289 /nfs/dbraw/zinc/42/92/89/369429289.db2.gz VOLFSFNLPMOLFC-KOLCDFICSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1ccns1)[C@H]1CCC[C@@H]1C#N ZINC000404439645 369429291 /nfs/dbraw/zinc/42/92/91/369429291.db2.gz VOLFSFNLPMOLFC-KOLCDFICSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@H+](Cc1ccns1)[C@@H]1CCC[C@H]1C#N ZINC000404439639 369429529 /nfs/dbraw/zinc/42/95/29/369429529.db2.gz VOLFSFNLPMOLFC-GXSJLCMTSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1ccns1)[C@@H]1CCC[C@H]1C#N ZINC000404439639 369429531 /nfs/dbraw/zinc/42/95/31/369429531.db2.gz VOLFSFNLPMOLFC-GXSJLCMTSA-N 1 2 221.329 2.267 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)C(=O)OC ZINC000619703256 369535541 /nfs/dbraw/zinc/53/55/41/369535541.db2.gz YSURPBJTJICPBU-LPWJVIDDSA-N 1 2 237.343 2.272 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)OC ZINC000619704609 369536571 /nfs/dbraw/zinc/53/65/71/369536571.db2.gz VEZHGPOHEBASCK-VHSXEESVSA-N 1 2 247.285 2.129 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C)C(=O)OC ZINC000619704283 369536947 /nfs/dbraw/zinc/53/69/47/369536947.db2.gz APYFBSPAPYALMF-RNJOBUHISA-N 1 2 239.359 2.376 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)OC ZINC000619704608 369536955 /nfs/dbraw/zinc/53/69/55/369536955.db2.gz VEZHGPOHEBASCK-UWVGGRQHSA-N 1 2 247.285 2.129 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C)s1 ZINC000619717145 369547289 /nfs/dbraw/zinc/54/72/89/369547289.db2.gz AYFKGRQQDNCFLN-NSHDSACASA-N 1 2 239.340 2.216 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)s1 ZINC000619717145 369547292 /nfs/dbraw/zinc/54/72/92/369547292.db2.gz AYFKGRQQDNCFLN-NSHDSACASA-N 1 2 239.340 2.216 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C)s1 ZINC000619717144 369547413 /nfs/dbraw/zinc/54/74/13/369547413.db2.gz AYFKGRQQDNCFLN-LLVKDONJSA-N 1 2 239.340 2.216 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)s1 ZINC000619717144 369547417 /nfs/dbraw/zinc/54/74/17/369547417.db2.gz AYFKGRQQDNCFLN-LLVKDONJSA-N 1 2 239.340 2.216 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000619722065 369552945 /nfs/dbraw/zinc/55/29/45/369552945.db2.gz XATSJKIXDMXMBO-AWEZNQCLSA-N 1 2 245.322 2.081 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCc2cc(C)ccc2C1 ZINC000619722065 369552951 /nfs/dbraw/zinc/55/29/51/369552951.db2.gz XATSJKIXDMXMBO-AWEZNQCLSA-N 1 2 245.322 2.081 20 30 BEEDLO COc1cccc(C[NH2+]CC(C)(C)C#N)c1F ZINC000619725763 369556752 /nfs/dbraw/zinc/55/67/52/369556752.db2.gz UPQVVCKUPAHLRE-UHFFFAOYSA-N 1 2 236.290 2.474 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCOCC12CC2 ZINC000619814450 369600882 /nfs/dbraw/zinc/60/08/82/369600882.db2.gz XIJIBDVZTWDERE-UHFFFAOYSA-N 1 2 242.322 2.232 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCOCC12CC2 ZINC000619814450 369600890 /nfs/dbraw/zinc/60/08/90/369600890.db2.gz XIJIBDVZTWDERE-UHFFFAOYSA-N 1 2 242.322 2.232 20 30 BEEDLO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)n2)o1 ZINC000602432549 369787851 /nfs/dbraw/zinc/78/78/51/369787851.db2.gz HTFUCULAWRBYQN-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1ccc(C[N@H+](C)Cc2cccc(C#N)n2)o1 ZINC000602432549 369787855 /nfs/dbraw/zinc/78/78/55/369787855.db2.gz HTFUCULAWRBYQN-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C=CCC(C)(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620611051 369957149 /nfs/dbraw/zinc/95/71/49/369957149.db2.gz XVXCHSPGRWFWRR-JTQLQIEISA-N 1 2 235.331 2.200 20 30 BEEDLO C[N@H+](Cc1cccnc1)[C@H]1CCC[C@H]1C#N ZINC000252403521 370020144 /nfs/dbraw/zinc/02/01/44/370020144.db2.gz BOAVRSSRJUBWBV-STQMWFEESA-N 1 2 215.300 2.206 20 30 BEEDLO C[N@@H+](Cc1cccnc1)[C@H]1CCC[C@H]1C#N ZINC000252403521 370020145 /nfs/dbraw/zinc/02/01/45/370020145.db2.gz BOAVRSSRJUBWBV-STQMWFEESA-N 1 2 215.300 2.206 20 30 BEEDLO CCc1cc(N[C@@H]2CC[C@H](C#N)C2)nc[nH+]1 ZINC000309967504 370281635 /nfs/dbraw/zinc/28/16/35/370281635.db2.gz OCFINMSGCJQSLA-GXSJLCMTSA-N 1 2 216.288 2.143 20 30 BEEDLO C=CCCCN(C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000077225958 370402239 /nfs/dbraw/zinc/40/22/39/370402239.db2.gz DYWWXSCYQZAKGD-UHFFFAOYSA-N 1 2 243.314 2.065 20 30 BEEDLO Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000113951171 370518565 /nfs/dbraw/zinc/51/85/65/370518565.db2.gz NVKGLXXELNEFQI-JOYOIKCWSA-N 1 2 246.314 2.386 20 30 BEEDLO Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000113951169 370519043 /nfs/dbraw/zinc/51/90/43/370519043.db2.gz NVKGLXXELNEFQI-BXKDBHETSA-N 1 2 246.314 2.386 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1ccc(OC)cc1 ZINC000070142968 371009580 /nfs/dbraw/zinc/00/95/80/371009580.db2.gz MYJPBFCSDIDLMD-UHFFFAOYSA-N 1 2 248.326 2.057 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1ccc(OC)cc1 ZINC000070142968 371009583 /nfs/dbraw/zinc/00/95/83/371009583.db2.gz MYJPBFCSDIDLMD-UHFFFAOYSA-N 1 2 248.326 2.057 20 30 BEEDLO C[C@H](Cn1cc[nH+]c1)Nc1cccc(F)c1C#N ZINC000093396583 371164350 /nfs/dbraw/zinc/16/43/50/371164350.db2.gz SNOMFGCLWLQIRF-SNVBAGLBSA-N 1 2 244.273 2.394 20 30 BEEDLO C=CCCC[C@H](C)[NH2+][C@@H](C=C)C(=O)OC ZINC000389965205 371181650 /nfs/dbraw/zinc/18/16/50/371181650.db2.gz XGLSAHLEMMIRSE-QWRGUYRKSA-N 1 2 211.305 2.048 20 30 BEEDLO Cn1cc(CCC[N@H+](CC#N)C2CCCC2)cn1 ZINC000156636783 371474578 /nfs/dbraw/zinc/47/45/78/371474578.db2.gz LNAXPVRQHRDGDW-UHFFFAOYSA-N 1 2 246.358 2.121 20 30 BEEDLO Cn1cc(CCC[N@@H+](CC#N)C2CCCC2)cn1 ZINC000156636783 371474583 /nfs/dbraw/zinc/47/45/83/371474583.db2.gz LNAXPVRQHRDGDW-UHFFFAOYSA-N 1 2 246.358 2.121 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1cccc(C)c1 ZINC000304235404 371770075 /nfs/dbraw/zinc/77/00/75/371770075.db2.gz VFQVPAVVZQRVRS-ZDUSSCGKSA-N 1 2 233.311 2.154 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1cccc(C)c1 ZINC000304235404 371770081 /nfs/dbraw/zinc/77/00/81/371770081.db2.gz VFQVPAVVZQRVRS-ZDUSSCGKSA-N 1 2 233.311 2.154 20 30 BEEDLO C=C1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000521741815 259549020 /nfs/dbraw/zinc/54/90/20/259549020.db2.gz KEIGEOGYXUEXQC-UHFFFAOYSA-N 1 2 219.288 2.099 20 30 BEEDLO CCc1[nH]c(CNc2cc(C#N)cc(C)n2)c[nH+]1 ZINC001643241363 1172450760 /nfs/dbraw/zinc/45/07/60/1172450760.db2.gz VJLUXMWSCOHTLS-UHFFFAOYSA-N 1 2 241.298 2.159 20 30 BEEDLO CCc1[nH]cc(CNc2cc(C#N)cc(C)n2)[nH+]1 ZINC001643241363 1172450767 /nfs/dbraw/zinc/45/07/67/1172450767.db2.gz VJLUXMWSCOHTLS-UHFFFAOYSA-N 1 2 241.298 2.159 20 30 BEEDLO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1C#N ZINC000087829055 383871767 /nfs/dbraw/zinc/87/17/67/383871767.db2.gz ALLOKIWVFSEAQO-LLVKDONJSA-N 1 2 243.310 2.158 20 30 BEEDLO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1C#N ZINC000087829055 383871776 /nfs/dbraw/zinc/87/17/76/383871776.db2.gz ALLOKIWVFSEAQO-LLVKDONJSA-N 1 2 243.310 2.158 20 30 BEEDLO C=CC[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116896497 383953759 /nfs/dbraw/zinc/95/37/59/383953759.db2.gz RWJLQYZZQWALKW-NSHDSACASA-N 1 2 207.273 2.147 20 30 BEEDLO C=CC[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116896497 383953766 /nfs/dbraw/zinc/95/37/66/383953766.db2.gz RWJLQYZZQWALKW-NSHDSACASA-N 1 2 207.273 2.147 20 30 BEEDLO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000334787647 383954485 /nfs/dbraw/zinc/95/44/85/383954485.db2.gz UKOALQLPDJZYAJ-STQMWFEESA-N 1 2 248.326 2.387 20 30 BEEDLO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000334787647 383954491 /nfs/dbraw/zinc/95/44/91/383954491.db2.gz UKOALQLPDJZYAJ-STQMWFEESA-N 1 2 248.326 2.387 20 30 BEEDLO Cc1cc(N2CC(C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000335073704 384019576 /nfs/dbraw/zinc/01/95/76/384019576.db2.gz BHOCCKXXRFKXMZ-UHFFFAOYSA-N 1 2 241.216 2.260 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1cccnc1 ZINC000049800101 384042021 /nfs/dbraw/zinc/04/20/21/384042021.db2.gz CTATWMNNPCVHGZ-UHFFFAOYSA-N 1 2 203.289 2.206 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1cccnc1 ZINC000049800101 384042027 /nfs/dbraw/zinc/04/20/27/384042027.db2.gz CTATWMNNPCVHGZ-UHFFFAOYSA-N 1 2 203.289 2.206 20 30 BEEDLO Cc1noc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000038034016 384061957 /nfs/dbraw/zinc/06/19/57/384061957.db2.gz DNQINKZEGVGCPA-VIFPVBQESA-N 1 2 242.282 2.101 20 30 BEEDLO C#CCCCCNC(=O)Nc1cc[nH+]cc1C ZINC000121362710 533031695 /nfs/dbraw/zinc/03/16/95/533031695.db2.gz OBXODEMQQMCKGO-UHFFFAOYSA-N 1 2 231.299 2.315 20 30 BEEDLO C[N@H+](CCC#N)C[C@H]1OCCc2ccccc21 ZINC000070937732 384141391 /nfs/dbraw/zinc/14/13/91/384141391.db2.gz OXQLLBUNYATFHT-CQSZACIVSA-N 1 2 230.311 2.146 20 30 BEEDLO C[N@@H+](CCC#N)C[C@H]1OCCc2ccccc21 ZINC000070937732 384141393 /nfs/dbraw/zinc/14/13/93/384141393.db2.gz OXQLLBUNYATFHT-CQSZACIVSA-N 1 2 230.311 2.146 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCCc2ccccc2C1 ZINC000306064114 384196641 /nfs/dbraw/zinc/19/66/41/384196641.db2.gz XZRXMCAARYGNKA-CQSZACIVSA-N 1 2 245.322 2.162 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCCc2ccccc2C1 ZINC000306064114 384196648 /nfs/dbraw/zinc/19/66/48/384196648.db2.gz XZRXMCAARYGNKA-CQSZACIVSA-N 1 2 245.322 2.162 20 30 BEEDLO Cc1ccc2[nH+]cc(CN(C)[C@H](C)CC#N)n2c1 ZINC000093091198 384209905 /nfs/dbraw/zinc/20/99/05/384209905.db2.gz QCPVMCJUSAOEIU-GFCCVEGCSA-N 1 2 242.326 2.377 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](F)C1 ZINC000335406089 384282741 /nfs/dbraw/zinc/28/27/41/384282741.db2.gz GDFGMWHAONYUOM-LBPRGKRZSA-N 1 2 204.248 2.102 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](F)C1 ZINC000335406089 384282742 /nfs/dbraw/zinc/28/27/42/384282742.db2.gz GDFGMWHAONYUOM-LBPRGKRZSA-N 1 2 204.248 2.102 20 30 BEEDLO Cc1cc(N[C@H]2CCC[C@H](F)C2)c(C#N)c[nH+]1 ZINC000335379753 384283061 /nfs/dbraw/zinc/28/30/61/384283061.db2.gz MNLWFGWPCNZUQI-RYUDHWBXSA-N 1 2 233.290 2.376 20 30 BEEDLO Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)c(C#N)c[nH+]1 ZINC000335510792 384296485 /nfs/dbraw/zinc/29/64/85/384296485.db2.gz KPMRMLVSYPAFAP-TXEJJXNPSA-N 1 2 227.311 2.354 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1ccccn1 ZINC000035694761 384417817 /nfs/dbraw/zinc/41/78/17/384417817.db2.gz APNNPBYMOYQNHZ-MNOVXSKESA-N 1 2 203.289 2.424 20 30 BEEDLO C=C(CC)C[NH2+][C@@H](CCCC)C(=O)OC ZINC000313508591 384433909 /nfs/dbraw/zinc/43/39/09/384433909.db2.gz WUKKGAKHYDJTMJ-NSHDSACASA-N 1 2 213.321 2.274 20 30 BEEDLO C=CCC(C)(C)CNC(=O)CCCn1cc[nH+]c1 ZINC000647120694 384465188 /nfs/dbraw/zinc/46/51/88/384465188.db2.gz PNOQZEFTHBZZSV-UHFFFAOYSA-N 1 2 249.358 2.382 20 30 BEEDLO Cc1ccc(NC(=O)N[C@@H](C)CC#N)c(C)[nH+]1 ZINC000162243698 384595004 /nfs/dbraw/zinc/59/50/04/384595004.db2.gz UUBUGISYWKLUHP-VIFPVBQESA-N 1 2 232.287 2.122 20 30 BEEDLO Cc1cc(N(C)Cc2cccc(C#N)c2)nc[nH+]1 ZINC000061948237 384642029 /nfs/dbraw/zinc/64/20/29/384642029.db2.gz IZISAHMZOYRHSH-UHFFFAOYSA-N 1 2 238.294 2.293 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000246190063 384824836 /nfs/dbraw/zinc/82/48/36/384824836.db2.gz IQGJUWPNLAPUIR-NEPJUHHUSA-N 1 2 246.310 2.060 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000246190063 384824842 /nfs/dbraw/zinc/82/48/42/384824842.db2.gz IQGJUWPNLAPUIR-NEPJUHHUSA-N 1 2 246.310 2.060 20 30 BEEDLO N#C[C@@H]1CCC[C@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000335073617 384791957 /nfs/dbraw/zinc/79/19/57/384791957.db2.gz SNZJBFCVQHKSRP-BDAKNGLRSA-N 1 2 214.259 2.456 20 30 BEEDLO CCC[N@@H+](CC#N)CCCCCn1cccn1 ZINC000104676024 384840580 /nfs/dbraw/zinc/84/05/80/384840580.db2.gz FCJSXMDTSPMKGC-UHFFFAOYSA-N 1 2 234.347 2.289 20 30 BEEDLO CCC[N@H+](CC#N)CCCCCn1cccn1 ZINC000104676024 384840583 /nfs/dbraw/zinc/84/05/83/384840583.db2.gz FCJSXMDTSPMKGC-UHFFFAOYSA-N 1 2 234.347 2.289 20 30 BEEDLO C=C[C@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301830034 384928240 /nfs/dbraw/zinc/92/82/40/384928240.db2.gz PJTHJPQLRRADBO-VIFPVBQESA-N 1 2 218.304 2.285 20 30 BEEDLO C=C[C@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301830034 384928242 /nfs/dbraw/zinc/92/82/42/384928242.db2.gz PJTHJPQLRRADBO-VIFPVBQESA-N 1 2 218.304 2.285 20 30 BEEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000297843969 384966118 /nfs/dbraw/zinc/96/61/18/384966118.db2.gz KUBRZHSLKHVSEV-LLVKDONJSA-N 1 2 233.315 2.226 20 30 BEEDLO C[C@H]1OCC[N@H+](CC#Cc2ccc(F)cc2)[C@H]1C ZINC000157145803 385071079 /nfs/dbraw/zinc/07/10/79/385071079.db2.gz DBNIQLWUYJIHMI-QWHCGFSZSA-N 1 2 247.313 2.286 20 30 BEEDLO C[C@H]1OCC[N@@H+](CC#Cc2ccc(F)cc2)[C@H]1C ZINC000157145803 385071084 /nfs/dbraw/zinc/07/10/84/385071084.db2.gz DBNIQLWUYJIHMI-QWHCGFSZSA-N 1 2 247.313 2.286 20 30 BEEDLO C=CC(C)(C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000648265252 385038727 /nfs/dbraw/zinc/03/87/27/385038727.db2.gz RAMIUZYOLVUXTJ-LBPRGKRZSA-N 1 2 247.342 2.259 20 30 BEEDLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000062797032 385188111 /nfs/dbraw/zinc/18/81/11/385188111.db2.gz KQRLCCIVXXPHJG-LLVKDONJSA-N 1 2 246.310 2.207 20 30 BEEDLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000062797032 385188116 /nfs/dbraw/zinc/18/81/16/385188116.db2.gz KQRLCCIVXXPHJG-LLVKDONJSA-N 1 2 246.310 2.207 20 30 BEEDLO COC(=O)C(C)(C)C/[NH+]=C/c1ccccc1O ZINC000129359472 385145711 /nfs/dbraw/zinc/14/57/11/385145711.db2.gz IIMMRROPKVPTGM-RIYZIHGNSA-N 1 2 235.283 2.010 20 30 BEEDLO Oc1ccc(/C=[NH+]/CC2(C3CC3)CC2)c(O)c1O ZINC000129618741 385169125 /nfs/dbraw/zinc/16/91/25/385169125.db2.gz MCNHHTKEYMZERM-VIZOYTHASA-N 1 2 247.294 2.413 20 30 BEEDLO C=C(C)C[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178253291 385214781 /nfs/dbraw/zinc/21/47/81/385214781.db2.gz WHSIDIFZPHPAPV-SNVBAGLBSA-N 1 2 236.281 2.131 20 30 BEEDLO COc1ccc(OC)c(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000069070874 385257245 /nfs/dbraw/zinc/25/72/45/385257245.db2.gz VPUIKVNQRLTLPK-NSHDSACASA-N 1 2 248.326 2.438 20 30 BEEDLO COc1ccc(OC)c(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000069070874 385257251 /nfs/dbraw/zinc/25/72/51/385257251.db2.gz VPUIKVNQRLTLPK-NSHDSACASA-N 1 2 248.326 2.438 20 30 BEEDLO COC[C@H](C)O[NH+]=C(N)c1cccc(Cl)c1 ZINC000178306635 385352264 /nfs/dbraw/zinc/35/22/64/385352264.db2.gz OFDSVMMQIMBVFI-QMMMGPOBSA-N 1 2 242.706 2.012 20 30 BEEDLO CC(C)Cc1ncc(C[NH2+]CCC#N)s1 ZINC000308985488 385326268 /nfs/dbraw/zinc/32/62/68/385326268.db2.gz JMVXTTHESHQJGV-UHFFFAOYSA-N 1 2 223.345 2.345 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1[C@H](C)Cc1ccsc1 ZINC000491373733 385483009 /nfs/dbraw/zinc/48/30/09/385483009.db2.gz ODFKIDULBPZQCX-DGCLKSJQSA-N 1 2 235.352 2.013 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1[C@H](C)Cc1ccsc1 ZINC000491373733 385483013 /nfs/dbraw/zinc/48/30/13/385483013.db2.gz ODFKIDULBPZQCX-DGCLKSJQSA-N 1 2 235.352 2.013 20 30 BEEDLO CCc1cnc(C[NH+]2CCC(C#N)CC2)s1 ZINC000336390120 385487051 /nfs/dbraw/zinc/48/70/51/385487051.db2.gz ZNVYCOGCJIEFGK-UHFFFAOYSA-N 1 2 235.356 2.441 20 30 BEEDLO NC(COc1ccccc1)=[NH+]OCC1CCC1 ZINC000157977003 385542005 /nfs/dbraw/zinc/54/20/05/385542005.db2.gz CJLSXIGRBMFUBY-UHFFFAOYSA-N 1 2 234.299 2.154 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1ccc(Br)o1 ZINC000054179076 385597756 /nfs/dbraw/zinc/59/77/56/385597756.db2.gz YYLOCJQFSPJTOJ-ZETCQYMHSA-N 1 2 243.104 2.291 20 30 BEEDLO C#CCN(CC1CC1)c1cc(CC)[nH+]c(C)n1 ZINC000302123363 533133234 /nfs/dbraw/zinc/13/32/34/533133234.db2.gz YVIBFPOCACIGBP-UHFFFAOYSA-N 1 2 229.327 2.197 20 30 BEEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644836659 385844265 /nfs/dbraw/zinc/84/42/65/385844265.db2.gz BHQOKVBPSAPLAP-LSDHHAIUSA-N 1 2 245.322 2.225 20 30 BEEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644836659 385844270 /nfs/dbraw/zinc/84/42/70/385844270.db2.gz BHQOKVBPSAPLAP-LSDHHAIUSA-N 1 2 245.322 2.225 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H](C)[C@@H](C)O1 ZINC000438355017 385971798 /nfs/dbraw/zinc/97/17/98/385971798.db2.gz QXHLNPPPMOROCE-GMTAPVOTSA-N 1 2 234.299 2.149 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@H](C)[C@@H](C)O1 ZINC000438355017 385971800 /nfs/dbraw/zinc/97/18/00/385971800.db2.gz QXHLNPPPMOROCE-GMTAPVOTSA-N 1 2 234.299 2.149 20 30 BEEDLO Cc1cc(CNC(=O)C2(C#N)CCC2)cc(C)[nH+]1 ZINC000335076385 386044831 /nfs/dbraw/zinc/04/48/31/386044831.db2.gz XTDDIHXJZZSLFR-UHFFFAOYSA-N 1 2 243.310 2.009 20 30 BEEDLO CC[N@@H+](Cc1cncc(C)c1)C[C@@H](C)C#N ZINC000189828483 386090547 /nfs/dbraw/zinc/09/05/47/386090547.db2.gz DENRKIFWGWCXRI-LBPRGKRZSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1cncc(C)c1)C[C@@H](C)C#N ZINC000189828483 386090550 /nfs/dbraw/zinc/09/05/50/386090550.db2.gz DENRKIFWGWCXRI-LBPRGKRZSA-N 1 2 217.316 2.372 20 30 BEEDLO CCc1ncc(C[N@H+](CC)C[C@H](C)C#N)cn1 ZINC000414370595 386159121 /nfs/dbraw/zinc/15/91/21/386159121.db2.gz KVSUYSLWTIPXQZ-LLVKDONJSA-N 1 2 232.331 2.021 20 30 BEEDLO CCc1ncc(C[N@@H+](CC)C[C@H](C)C#N)cn1 ZINC000414370595 386159127 /nfs/dbraw/zinc/15/91/27/386159127.db2.gz KVSUYSLWTIPXQZ-LLVKDONJSA-N 1 2 232.331 2.021 20 30 BEEDLO N#CC[N@H+](CCOC1CCC1)C1CCCC1 ZINC000347055769 386207270 /nfs/dbraw/zinc/20/72/70/386207270.db2.gz NYLSCHKDGADKEY-UHFFFAOYSA-N 1 2 222.332 2.324 20 30 BEEDLO N#CC[N@@H+](CCOC1CCC1)C1CCCC1 ZINC000347055769 386207275 /nfs/dbraw/zinc/20/72/75/386207275.db2.gz NYLSCHKDGADKEY-UHFFFAOYSA-N 1 2 222.332 2.324 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@@H](C)CCC#N)no1 ZINC000276345645 386308503 /nfs/dbraw/zinc/30/85/03/386308503.db2.gz VEIRGJRZTMTFOQ-VIFPVBQESA-N 1 2 207.277 2.107 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@@H](C)CCC#N)no1 ZINC000276345645 386308510 /nfs/dbraw/zinc/30/85/10/386308510.db2.gz VEIRGJRZTMTFOQ-VIFPVBQESA-N 1 2 207.277 2.107 20 30 BEEDLO C#CC[N@@H+](C)Cc1nc2c(cccc2F)n1CC ZINC000192236981 386487202 /nfs/dbraw/zinc/48/72/02/386487202.db2.gz WAMUDTOBYZKIDL-UHFFFAOYSA-N 1 2 245.301 2.260 20 30 BEEDLO C#CC[N@H+](C)Cc1nc2c(cccc2F)n1CC ZINC000192236981 386487207 /nfs/dbraw/zinc/48/72/07/386487207.db2.gz WAMUDTOBYZKIDL-UHFFFAOYSA-N 1 2 245.301 2.260 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1Cc2cccnc2C1 ZINC000644933322 386629740 /nfs/dbraw/zinc/62/97/40/386629740.db2.gz HYFASDRNSASTBJ-NSHDSACASA-N 1 2 200.285 2.199 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1Cc2cccnc2C1 ZINC000644933322 386629746 /nfs/dbraw/zinc/62/97/46/386629746.db2.gz HYFASDRNSASTBJ-NSHDSACASA-N 1 2 200.285 2.199 20 30 BEEDLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328935664 386649780 /nfs/dbraw/zinc/64/97/80/386649780.db2.gz JHEAQBXYYUTFSM-DTWKUNHWSA-N 1 2 233.315 2.270 20 30 BEEDLO CC1(C)C[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328935664 386649787 /nfs/dbraw/zinc/64/97/87/386649787.db2.gz JHEAQBXYYUTFSM-DTWKUNHWSA-N 1 2 233.315 2.270 20 30 BEEDLO C=CCN(C)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000335755138 386882640 /nfs/dbraw/zinc/88/26/40/386882640.db2.gz HUHALQYCPYYWJG-UHFFFAOYSA-N 1 2 243.310 2.140 20 30 BEEDLO Cc1cc(N(C)C[C@H]2CCCOC2)c(C#N)c[nH+]1 ZINC000399518704 386954573 /nfs/dbraw/zinc/95/45/73/386954573.db2.gz NWARGVIOEKFNLN-GFCCVEGCSA-N 1 2 245.326 2.125 20 30 BEEDLO Cc1cc(N[C@H]2CCC2(C)C)c(C#N)c[nH+]1 ZINC000399413627 387059909 /nfs/dbraw/zinc/05/99/09/387059909.db2.gz CRLYUXBRTAQNGI-LBPRGKRZSA-N 1 2 215.300 2.284 20 30 BEEDLO COCC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000399397010 387009832 /nfs/dbraw/zinc/00/98/32/387009832.db2.gz BJYALCFQGDEMDZ-UHFFFAOYSA-N 1 2 245.326 2.125 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CCO1 ZINC000223520639 387017247 /nfs/dbraw/zinc/01/72/47/387017247.db2.gz SPRATPXNKHFECP-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCO1 ZINC000223520639 387017253 /nfs/dbraw/zinc/01/72/53/387017253.db2.gz SPRATPXNKHFECP-CYBMUJFWSA-N 1 2 248.301 2.308 20 30 BEEDLO Cc1cc(NC[C@@]2(C)CCCS2)c(C#N)c[nH+]1 ZINC000399581195 387027638 /nfs/dbraw/zinc/02/76/38/387027638.db2.gz LRCVLXSSVJUDTG-CYBMUJFWSA-N 1 2 247.367 2.381 20 30 BEEDLO CC#CC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000160379242 387080706 /nfs/dbraw/zinc/08/07/06/387080706.db2.gz DCJDRTYCHFRKDW-DZGCQCFKSA-N 1 2 229.323 2.472 20 30 BEEDLO CC#CC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000160379242 387080713 /nfs/dbraw/zinc/08/07/13/387080713.db2.gz DCJDRTYCHFRKDW-DZGCQCFKSA-N 1 2 229.323 2.472 20 30 BEEDLO CO[C@@H]1CN(c2cc(C)[nH+]cc2C#N)CC[C@H]1C ZINC000399423750 387091644 /nfs/dbraw/zinc/09/16/44/387091644.db2.gz CFNDWPINAYAHKO-QMTHXVAHSA-N 1 2 245.326 2.123 20 30 BEEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](F)C2)c1F ZINC000336262963 387096760 /nfs/dbraw/zinc/09/67/60/387096760.db2.gz KWPYLJSGBJCOAI-LLVKDONJSA-N 1 2 222.238 2.241 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](F)C2)c1F ZINC000336262963 387096764 /nfs/dbraw/zinc/09/67/64/387096764.db2.gz KWPYLJSGBJCOAI-LLVKDONJSA-N 1 2 222.238 2.241 20 30 BEEDLO Cn1c(C[NH2+]CCC#N)nc2cc(Cl)ccc21 ZINC000425971237 387097676 /nfs/dbraw/zinc/09/76/76/387097676.db2.gz NRMBSVHOAKAFEP-UHFFFAOYSA-N 1 2 248.717 2.230 20 30 BEEDLO CCC1(CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000399446851 387101811 /nfs/dbraw/zinc/10/18/11/387101811.db2.gz LZFUQKFPYLEYNW-UHFFFAOYSA-N 1 2 215.300 2.286 20 30 BEEDLO Cc1noc(C)c1C[NH2+]CC1(C#N)CCC1 ZINC000418145398 387168473 /nfs/dbraw/zinc/16/84/73/387168473.db2.gz XVWQWRVCEXTMNI-UHFFFAOYSA-N 1 2 219.288 2.075 20 30 BEEDLO C#CC[C@H]([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000271739402 387448177 /nfs/dbraw/zinc/44/81/77/387448177.db2.gz UWTAMJRNOPQUAO-ZDUSSCGKSA-N 1 2 241.294 2.232 20 30 BEEDLO C#CC[N@@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC000266914073 387407219 /nfs/dbraw/zinc/40/72/19/387407219.db2.gz JSJGBQAXKPRTBL-UHFFFAOYSA-N 1 2 224.285 2.111 20 30 BEEDLO C#CC[N@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC000266914073 387407226 /nfs/dbraw/zinc/40/72/26/387407226.db2.gz JSJGBQAXKPRTBL-UHFFFAOYSA-N 1 2 224.285 2.111 20 30 BEEDLO C#CCCNc1nc(NCCC#C)c(Cl)c[nH+]1 ZINC000269061552 387418335 /nfs/dbraw/zinc/41/83/35/387418335.db2.gz VCVNTALWUHIPLW-UHFFFAOYSA-N 1 2 248.717 2.000 20 30 BEEDLO Cc1occc1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000193557686 387494918 /nfs/dbraw/zinc/49/49/18/387494918.db2.gz WQJSVLPERKDSIJ-GFCCVEGCSA-N 1 2 231.299 2.463 20 30 BEEDLO Cc1occc1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000193557686 387494926 /nfs/dbraw/zinc/49/49/26/387494926.db2.gz WQJSVLPERKDSIJ-GFCCVEGCSA-N 1 2 231.299 2.463 20 30 BEEDLO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)o1 ZINC000268855297 387524723 /nfs/dbraw/zinc/52/47/23/387524723.db2.gz QSRCMXHUCJWXDK-GFCCVEGCSA-N 1 2 242.282 2.042 20 30 BEEDLO C=CCCCCNc1nc[nH+]c(N)c1Cl ZINC000277718613 387547264 /nfs/dbraw/zinc/54/72/64/387547264.db2.gz HODHVCNIIYFHNQ-UHFFFAOYSA-N 1 2 226.711 2.480 20 30 BEEDLO C=CCCCCNc1[nH+]cnc(N)c1Cl ZINC000277718613 387547274 /nfs/dbraw/zinc/54/72/74/387547274.db2.gz HODHVCNIIYFHNQ-UHFFFAOYSA-N 1 2 226.711 2.480 20 30 BEEDLO C=C1CC[NH+](Cc2ncnn2C(C)C)CC1 ZINC000279850134 387570972 /nfs/dbraw/zinc/57/09/72/387570972.db2.gz AWTMNNXSTBNETK-UHFFFAOYSA-N 1 2 220.320 2.011 20 30 BEEDLO CNc1ccc(Nc2ncccc2C#N)c[nH+]1 ZINC000042739443 387636136 /nfs/dbraw/zinc/63/61/36/387636136.db2.gz ZCIKBQNVBZXWDH-UHFFFAOYSA-N 1 2 225.255 2.134 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc(OC)c1OC ZINC000123324367 387683039 /nfs/dbraw/zinc/68/30/39/387683039.db2.gz ZTNVMPHYIRSBJP-UHFFFAOYSA-N 1 2 248.326 2.439 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc(OC)c1OC ZINC000123324367 387683045 /nfs/dbraw/zinc/68/30/45/387683045.db2.gz ZTNVMPHYIRSBJP-UHFFFAOYSA-N 1 2 248.326 2.439 20 30 BEEDLO Cn1cc[nH+]c1CNc1cccc(F)c1C#N ZINC000036157826 387787592 /nfs/dbraw/zinc/78/75/92/387787592.db2.gz AOAUOEPBANTOCM-UHFFFAOYSA-N 1 2 230.246 2.043 20 30 BEEDLO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442782957 387839943 /nfs/dbraw/zinc/83/99/43/387839943.db2.gz PEPPMYLQEMKHJI-QPSCCSFWSA-N 1 2 249.402 2.389 20 30 BEEDLO C=CCCC1(C(=O)NCc2[nH+]ccn2CC)CC1 ZINC000452569332 387860400 /nfs/dbraw/zinc/86/04/00/387860400.db2.gz GFOFUAIHRILMNT-UHFFFAOYSA-N 1 2 247.342 2.266 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000444629082 387895552 /nfs/dbraw/zinc/89/55/52/387895552.db2.gz JWVUPBVYRNCEQL-UHFFFAOYSA-N 1 2 247.273 2.494 20 30 BEEDLO C=CC[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000444629082 387895556 /nfs/dbraw/zinc/89/55/56/387895556.db2.gz JWVUPBVYRNCEQL-UHFFFAOYSA-N 1 2 247.273 2.494 20 30 BEEDLO C=CCn1cc(C[NH2+]Cc2csc(C)c2)nn1 ZINC000424176835 387887629 /nfs/dbraw/zinc/88/76/29/387887629.db2.gz YPTUWAZBBJAUIL-UHFFFAOYSA-N 1 2 248.355 2.124 20 30 BEEDLO CCOCCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444727414 387917264 /nfs/dbraw/zinc/91/72/64/387917264.db2.gz DWWPQWWTBHSNSM-GFCCVEGCSA-N 1 2 224.348 2.427 20 30 BEEDLO CCOCCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444727414 387917270 /nfs/dbraw/zinc/91/72/70/387917270.db2.gz DWWPQWWTBHSNSM-GFCCVEGCSA-N 1 2 224.348 2.427 20 30 BEEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCC#N ZINC000444785045 387931461 /nfs/dbraw/zinc/93/14/61/387931461.db2.gz XEPYKQOCNPQYLO-CYBMUJFWSA-N 1 2 238.331 2.098 20 30 BEEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCC#N ZINC000444785045 387931466 /nfs/dbraw/zinc/93/14/66/387931466.db2.gz XEPYKQOCNPQYLO-CYBMUJFWSA-N 1 2 238.331 2.098 20 30 BEEDLO C#CC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000195037669 388084387 /nfs/dbraw/zinc/08/43/87/388084387.db2.gz BDXWRNXZDOCZDN-GFCCVEGCSA-N 1 2 228.320 2.455 20 30 BEEDLO COCC[N@H+](CC#N)C[C@@H]1CCCC[C@H]1C ZINC000453601740 388089980 /nfs/dbraw/zinc/08/99/80/388089980.db2.gz VAXOECYXJIXODZ-OLZOCXBDSA-N 1 2 224.348 2.285 20 30 BEEDLO COCC[N@@H+](CC#N)C[C@@H]1CCCC[C@H]1C ZINC000453601740 388089983 /nfs/dbraw/zinc/08/99/83/388089983.db2.gz VAXOECYXJIXODZ-OLZOCXBDSA-N 1 2 224.348 2.285 20 30 BEEDLO C=CCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000447811256 388093862 /nfs/dbraw/zinc/09/38/62/388093862.db2.gz NDVOZYLFFXGJQS-UHFFFAOYSA-N 1 2 231.343 2.464 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncnn1CCC ZINC000447881102 388098969 /nfs/dbraw/zinc/09/89/69/388098969.db2.gz XMWPQHXVXIDYOX-LBPRGKRZSA-N 1 2 234.347 2.229 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncnn1CCC ZINC000447881102 388098972 /nfs/dbraw/zinc/09/89/72/388098972.db2.gz XMWPQHXVXIDYOX-LBPRGKRZSA-N 1 2 234.347 2.229 20 30 BEEDLO C=C(CC)CNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455480775 388160998 /nfs/dbraw/zinc/16/09/98/388160998.db2.gz ONFJIWYFTMQYEF-MNOVXSKESA-N 1 2 248.330 2.154 20 30 BEEDLO C=CC(C)(C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000456119266 388179292 /nfs/dbraw/zinc/17/92/92/388179292.db2.gz SDMZYEFQSZBVMI-SNVBAGLBSA-N 1 2 247.342 2.158 20 30 BEEDLO C=CC(C)(C)CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000456119266 388179295 /nfs/dbraw/zinc/17/92/95/388179295.db2.gz SDMZYEFQSZBVMI-SNVBAGLBSA-N 1 2 247.342 2.158 20 30 BEEDLO C=CC[C@H](C)NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454536513 388122353 /nfs/dbraw/zinc/12/23/53/388122353.db2.gz WSMIDQPSGPNHGP-DCAQKATOSA-N 1 2 248.330 2.153 20 30 BEEDLO C=CCCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454879462 388138035 /nfs/dbraw/zinc/13/80/35/388138035.db2.gz VRMOIDLFAXYIKO-GHMZBOCLSA-N 1 2 248.330 2.154 20 30 BEEDLO C=CCCCC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456419987 388200333 /nfs/dbraw/zinc/20/03/33/388200333.db2.gz MEZHABZOQBWICP-QWRGUYRKSA-N 1 2 233.315 2.361 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1ncnn1CC(C)C ZINC000489437860 388213395 /nfs/dbraw/zinc/21/33/95/388213395.db2.gz WUQBBAQGYVEIPQ-ZDUSSCGKSA-N 1 2 248.374 2.475 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ncnn1CC(C)C ZINC000489437860 388213397 /nfs/dbraw/zinc/21/33/97/388213397.db2.gz WUQBBAQGYVEIPQ-ZDUSSCGKSA-N 1 2 248.374 2.475 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1cccn1C ZINC000489488109 388218592 /nfs/dbraw/zinc/21/85/92/388218592.db2.gz SYGONJWNCRSSID-GFCCVEGCSA-N 1 2 232.327 2.248 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1cccn1C ZINC000489488109 388218594 /nfs/dbraw/zinc/21/85/94/388218594.db2.gz SYGONJWNCRSSID-GFCCVEGCSA-N 1 2 232.327 2.248 20 30 BEEDLO C=CCC1(C(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000449575949 388236969 /nfs/dbraw/zinc/23/69/69/388236969.db2.gz ZDANSEXRXCRXMJ-UHFFFAOYSA-N 1 2 247.342 2.136 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1c[nH]nc1C)c1ccc(F)cc1 ZINC000491396346 388291877 /nfs/dbraw/zinc/29/18/77/388291877.db2.gz XUWZHCNSBIWRCS-CQSZACIVSA-N 1 2 243.285 2.321 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491439151 388294871 /nfs/dbraw/zinc/29/48/71/388294871.db2.gz HVKDLSGZGIKTPG-VIFPVBQESA-N 1 2 236.246 2.187 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491439151 388294872 /nfs/dbraw/zinc/29/48/72/388294872.db2.gz HVKDLSGZGIKTPG-VIFPVBQESA-N 1 2 236.246 2.187 20 30 BEEDLO C#CCN(C(=O)Nc1ccc(C)[nH+]c1C)C1CC1 ZINC000491439480 388294875 /nfs/dbraw/zinc/29/48/75/388294875.db2.gz JYDXOCOJEYKGLQ-UHFFFAOYSA-N 1 2 243.310 2.328 20 30 BEEDLO C#CC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)C1CC1 ZINC000491619878 388305603 /nfs/dbraw/zinc/30/56/03/388305603.db2.gz DYUYDMHRQQOIAS-UHFFFAOYSA-N 1 2 243.232 2.026 20 30 BEEDLO C#CC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)C1CC1 ZINC000491619878 388305604 /nfs/dbraw/zinc/30/56/04/388305604.db2.gz DYUYDMHRQQOIAS-UHFFFAOYSA-N 1 2 243.232 2.026 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CC1CCC(F)(F)CC1 ZINC000491658480 388308785 /nfs/dbraw/zinc/30/87/85/388308785.db2.gz BRQRRTAVPYCGEM-LBPRGKRZSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CC1CCC(F)(F)CC1 ZINC000491658480 388308786 /nfs/dbraw/zinc/30/87/86/388308786.db2.gz BRQRRTAVPYCGEM-LBPRGKRZSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000491735141 388316308 /nfs/dbraw/zinc/31/63/08/388316308.db2.gz CKGZNNFWYFVXPM-LLVKDONJSA-N 1 2 241.294 2.190 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000491735141 388316309 /nfs/dbraw/zinc/31/63/09/388316309.db2.gz CKGZNNFWYFVXPM-LLVKDONJSA-N 1 2 241.294 2.190 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000491778260 388320101 /nfs/dbraw/zinc/32/01/01/388320101.db2.gz YDJWRVJFGACZSD-ZDUSSCGKSA-N 1 2 240.306 2.002 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000491778260 388320102 /nfs/dbraw/zinc/32/01/02/388320102.db2.gz YDJWRVJFGACZSD-ZDUSSCGKSA-N 1 2 240.306 2.002 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1csc(C2CC2)n1 ZINC000491777580 388320270 /nfs/dbraw/zinc/32/02/70/388320270.db2.gz GHGLZMYSZBPBFQ-VIFPVBQESA-N 1 2 220.341 2.474 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000491777580 388320271 /nfs/dbraw/zinc/32/02/71/388320271.db2.gz GHGLZMYSZBPBFQ-VIFPVBQESA-N 1 2 220.341 2.474 20 30 BEEDLO C#C[C@H](CC)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000491192267 388275946 /nfs/dbraw/zinc/27/59/46/388275946.db2.gz MWQVOEXZFITUII-LLVKDONJSA-N 1 2 231.299 2.232 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1c(F)cccc1F ZINC000491252769 388280452 /nfs/dbraw/zinc/28/04/52/388280452.db2.gz JVVDGBLKBYIMEX-SECBINFHSA-N 1 2 209.239 2.418 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(F)cccc1F ZINC000491252769 388280453 /nfs/dbraw/zinc/28/04/53/388280453.db2.gz JVVDGBLKBYIMEX-SECBINFHSA-N 1 2 209.239 2.418 20 30 BEEDLO C#C[C@@H](CCC)[NH2+][C@H](CCC)C(=O)OCC ZINC000233296183 388345590 /nfs/dbraw/zinc/34/55/90/388345590.db2.gz KSVHZGBTOFQBSB-NWDGAFQWSA-N 1 2 225.332 2.110 20 30 BEEDLO C#C[C@H](CCC)[NH2+][C@H](CCC)C(=O)OCC ZINC000233358605 388346269 /nfs/dbraw/zinc/34/62/69/388346269.db2.gz KSVHZGBTOFQBSB-VXGBXAGGSA-N 1 2 225.332 2.110 20 30 BEEDLO C=CCCC1(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000526004151 388454672 /nfs/dbraw/zinc/45/46/72/388454672.db2.gz KYPMLSUAUGRBDA-UHFFFAOYSA-N 1 2 245.326 2.013 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)CC ZINC000136342843 388531787 /nfs/dbraw/zinc/53/17/87/388531787.db2.gz LLSMWYLMECFKKU-LLVKDONJSA-N 1 2 225.332 2.062 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)CC ZINC000136342843 388531788 /nfs/dbraw/zinc/53/17/88/388531788.db2.gz LLSMWYLMECFKKU-LLVKDONJSA-N 1 2 225.332 2.062 20 30 BEEDLO C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H](C#N)C2)C1 ZINC000245623600 388594819 /nfs/dbraw/zinc/59/48/19/388594819.db2.gz RZPVGPHMKOCXLX-AGIUHOORSA-N 1 2 222.332 2.037 20 30 BEEDLO C[C@@H]1CCC[C@H](C[N@H+]2CCO[C@@H](C#N)C2)C1 ZINC000245623600 388594821 /nfs/dbraw/zinc/59/48/21/388594821.db2.gz RZPVGPHMKOCXLX-AGIUHOORSA-N 1 2 222.332 2.037 20 30 BEEDLO C[C@@H]([NH2+]CC(F)F)c1ccc(C#N)cc1 ZINC000037755954 388629997 /nfs/dbraw/zinc/62/99/97/388629997.db2.gz WZNYXFHSKJAXEX-MRVPVSSYSA-N 1 2 210.227 2.474 20 30 BEEDLO CN(CCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000061955478 388647926 /nfs/dbraw/zinc/64/79/26/388647926.db2.gz JFIBAWOSNHHDCQ-UHFFFAOYSA-N 1 2 240.310 2.281 20 30 BEEDLO CCC[C@H]1C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000093508648 388744744 /nfs/dbraw/zinc/74/47/44/388744744.db2.gz AIBJGKVUZNKTSX-LBPRGKRZSA-N 1 2 234.299 2.152 20 30 BEEDLO CCC[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000093508648 388744747 /nfs/dbraw/zinc/74/47/47/388744747.db2.gz AIBJGKVUZNKTSX-LBPRGKRZSA-N 1 2 234.299 2.152 20 30 BEEDLO C=C(CC)C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000539103194 388748237 /nfs/dbraw/zinc/74/82/37/388748237.db2.gz KISUPZNCZRIOKF-SNVBAGLBSA-N 1 2 207.277 2.173 20 30 BEEDLO C=C(CC)C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000539103194 388748240 /nfs/dbraw/zinc/74/82/40/388748240.db2.gz KISUPZNCZRIOKF-SNVBAGLBSA-N 1 2 207.277 2.173 20 30 BEEDLO COc1ccc(C[N@H+](C)CCC#N)cc1OC ZINC000019834141 388748643 /nfs/dbraw/zinc/74/86/43/388748643.db2.gz MCPZKWQVSJDUFP-UHFFFAOYSA-N 1 2 234.299 2.049 20 30 BEEDLO COc1ccc(C[N@@H+](C)CCC#N)cc1OC ZINC000019834141 388748645 /nfs/dbraw/zinc/74/86/45/388748645.db2.gz MCPZKWQVSJDUFP-UHFFFAOYSA-N 1 2 234.299 2.049 20 30 BEEDLO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000538469133 388690622 /nfs/dbraw/zinc/69/06/22/388690622.db2.gz FIIAWMCCPAELFV-SNVBAGLBSA-N 1 2 234.303 2.146 20 30 BEEDLO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000538469133 388690624 /nfs/dbraw/zinc/69/06/24/388690624.db2.gz FIIAWMCCPAELFV-SNVBAGLBSA-N 1 2 234.303 2.146 20 30 BEEDLO C#C[C@H](C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302465226 533299269 /nfs/dbraw/zinc/29/92/69/533299269.db2.gz VUWQGLLDZOXKSU-VIFPVBQESA-N 1 2 243.314 2.015 20 30 BEEDLO Cc1ccc(N2CC[NH+](CCC#N)CC2)cc1C ZINC000045952197 132299148 /nfs/dbraw/zinc/29/91/48/132299148.db2.gz UELWYJNWTVQGDC-UHFFFAOYSA-N 1 2 243.354 2.339 20 30 BEEDLO C=CC[C@@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000340246125 133566800 /nfs/dbraw/zinc/56/68/00/133566800.db2.gz UOBJGWYFYAZTKS-SNVBAGLBSA-N 1 2 244.298 2.420 20 30 BEEDLO N#CC1(C[N@@H+]2CCc3ccsc3C2)CC1 ZINC000335938901 134013656 /nfs/dbraw/zinc/01/36/56/134013656.db2.gz CDMYEEAHUBUMMW-UHFFFAOYSA-N 1 2 218.325 2.410 20 30 BEEDLO N#CC1(C[N@H+]2CCc3ccsc3C2)CC1 ZINC000335938901 134013657 /nfs/dbraw/zinc/01/36/57/134013657.db2.gz CDMYEEAHUBUMMW-UHFFFAOYSA-N 1 2 218.325 2.410 20 30 BEEDLO Cc1[nH+]c2ccccn2c1CN(C)C[C@H](C)C#N ZINC000352092541 134061385 /nfs/dbraw/zinc/06/13/85/134061385.db2.gz UWPQOXCFZIFIKI-LLVKDONJSA-N 1 2 242.326 2.234 20 30 BEEDLO Cc1nc2ccccn2c1C[N@@H+](C)C[C@H](C)C#N ZINC000352092541 134061386 /nfs/dbraw/zinc/06/13/86/134061386.db2.gz UWPQOXCFZIFIKI-LLVKDONJSA-N 1 2 242.326 2.234 20 30 BEEDLO Cc1nc2ccccn2c1C[N@H+](C)C[C@H](C)C#N ZINC000352092541 134061387 /nfs/dbraw/zinc/06/13/87/134061387.db2.gz UWPQOXCFZIFIKI-LLVKDONJSA-N 1 2 242.326 2.234 20 30 BEEDLO CC(=O)Nc1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC000352087835 134061589 /nfs/dbraw/zinc/06/15/89/134061589.db2.gz RSQOUDCTKHGGSW-LLVKDONJSA-N 1 2 245.326 2.236 20 30 BEEDLO CC(=O)Nc1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC000352087835 134061590 /nfs/dbraw/zinc/06/15/90/134061590.db2.gz RSQOUDCTKHGGSW-LLVKDONJSA-N 1 2 245.326 2.236 20 30 BEEDLO Cc1cccc2[nH+]cc(CN(C)C[C@@H](C)C#N)n21 ZINC000352096887 134063731 /nfs/dbraw/zinc/06/37/31/134063731.db2.gz LJUAQFUSKAJPSD-NSHDSACASA-N 1 2 242.326 2.234 20 30 BEEDLO C=C(C)CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000336073635 134072562 /nfs/dbraw/zinc/07/25/62/134072562.db2.gz PHENYPKGTXTGBX-UHFFFAOYSA-N 1 2 243.310 2.188 20 30 BEEDLO CO[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000336111063 134086591 /nfs/dbraw/zinc/08/65/91/134086591.db2.gz OULHEIDQJQBVNZ-LBPRGKRZSA-N 1 2 248.301 2.308 20 30 BEEDLO CO[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000336111063 134086592 /nfs/dbraw/zinc/08/65/92/134086592.db2.gz OULHEIDQJQBVNZ-LBPRGKRZSA-N 1 2 248.301 2.308 20 30 BEEDLO CC(C)(C)[C@@H]1C[N@H+](CC2(C#N)CC2)CCO1 ZINC000336349161 134144386 /nfs/dbraw/zinc/14/43/86/134144386.db2.gz NACWFJJGVPNEHP-NSHDSACASA-N 1 2 222.332 2.037 20 30 BEEDLO CC(C)(C)[C@@H]1C[N@@H+](CC2(C#N)CC2)CCO1 ZINC000336349161 134144387 /nfs/dbraw/zinc/14/43/87/134144387.db2.gz NACWFJJGVPNEHP-NSHDSACASA-N 1 2 222.332 2.037 20 30 BEEDLO Cc1cccn2c(CN(CC#N)C3CC3)c[nH+]c12 ZINC000352737511 134151700 /nfs/dbraw/zinc/15/17/00/134151700.db2.gz PKRHEGKFPQHCFA-UHFFFAOYSA-N 1 2 240.310 2.131 20 30 BEEDLO Cc1c[nH+]ccc1CCNc1ccc(C#N)cn1 ZINC000301869669 134156956 /nfs/dbraw/zinc/15/69/56/134156956.db2.gz WGICKYIBKVAFOR-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO C=CCO[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000302156931 134157688 /nfs/dbraw/zinc/15/76/88/134157688.db2.gz NCTNAVAKEDBRRD-LLVKDONJSA-N 1 2 243.310 2.344 20 30 BEEDLO CC[N@@H+](CC#N)CCCCOC(C)(C)C ZINC000354892738 134170394 /nfs/dbraw/zinc/17/03/94/134170394.db2.gz LPMXWIGRJHXQKU-UHFFFAOYSA-N 1 2 212.337 2.427 20 30 BEEDLO CC[N@H+](CC#N)CCCCOC(C)(C)C ZINC000354892738 134170395 /nfs/dbraw/zinc/17/03/95/134170395.db2.gz LPMXWIGRJHXQKU-UHFFFAOYSA-N 1 2 212.337 2.427 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000368074568 134217354 /nfs/dbraw/zinc/21/73/54/134217354.db2.gz JEVGHXXOJHEPLX-UHFFFAOYSA-N 1 2 244.298 2.140 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000368074568 134217355 /nfs/dbraw/zinc/21/73/55/134217355.db2.gz JEVGHXXOJHEPLX-UHFFFAOYSA-N 1 2 244.298 2.140 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000368756719 134220241 /nfs/dbraw/zinc/22/02/41/134220241.db2.gz VLHJFKYZNNSRAW-LLVKDONJSA-N 1 2 237.734 2.409 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000368756719 134220242 /nfs/dbraw/zinc/22/02/42/134220242.db2.gz VLHJFKYZNNSRAW-LLVKDONJSA-N 1 2 237.734 2.409 20 30 BEEDLO C=C(C)C[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000368998640 134220987 /nfs/dbraw/zinc/22/09/87/134220987.db2.gz FDKPKZARXKBSOY-NSHDSACASA-N 1 2 221.304 2.481 20 30 BEEDLO C=C(C)C[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000368998640 134220988 /nfs/dbraw/zinc/22/09/88/134220988.db2.gz FDKPKZARXKBSOY-NSHDSACASA-N 1 2 221.304 2.481 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000369288786 134222514 /nfs/dbraw/zinc/22/25/14/134222514.db2.gz UNRDCCWZFWPPFR-AWEZNQCLSA-N 1 2 230.311 2.443 20 30 BEEDLO N#CCC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000369288786 134222515 /nfs/dbraw/zinc/22/25/15/134222515.db2.gz UNRDCCWZFWPPFR-AWEZNQCLSA-N 1 2 230.311 2.443 20 30 BEEDLO N#C[C@H]1C[N@H+](C[C@H]2CC=CCC2)CCN1C1CC1 ZINC000371328320 134228391 /nfs/dbraw/zinc/22/83/91/134228391.db2.gz UKMJOQVJPJIJRS-ZFWWWQNUSA-N 1 2 245.370 2.015 20 30 BEEDLO N#C[C@H]1C[N@@H+](C[C@H]2CC=CCC2)CCN1C1CC1 ZINC000371328320 134228392 /nfs/dbraw/zinc/22/83/92/134228392.db2.gz UKMJOQVJPJIJRS-ZFWWWQNUSA-N 1 2 245.370 2.015 20 30 BEEDLO C=CCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371444514 134228701 /nfs/dbraw/zinc/22/87/01/134228701.db2.gz YVMSAFUFHAOCMI-SNVBAGLBSA-N 1 2 219.288 2.039 20 30 BEEDLO C=CCCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373070613 134233577 /nfs/dbraw/zinc/23/35/77/134233577.db2.gz PBCMEQORMRGCFL-GFCCVEGCSA-N 1 2 247.342 2.092 20 30 BEEDLO C=C(C)C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000375791129 134240681 /nfs/dbraw/zinc/24/06/81/134240681.db2.gz JZCKHGKJVYNHQM-LLVKDONJSA-N 1 2 207.273 2.229 20 30 BEEDLO COc1ccc(OC)c(C[NH2+]CC(C)(C)C#N)c1 ZINC000168918888 134248478 /nfs/dbraw/zinc/24/84/78/134248478.db2.gz MWYIXJZSTGSPDR-UHFFFAOYSA-N 1 2 248.326 2.343 20 30 BEEDLO C[N@H+](Cc1ccon1)Cc1ccc(C#N)cc1 ZINC000172385073 134265453 /nfs/dbraw/zinc/26/54/53/134265453.db2.gz GOVDVLWSEWYKMJ-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C[N@@H+](Cc1ccon1)Cc1ccc(C#N)cc1 ZINC000172385073 134265454 /nfs/dbraw/zinc/26/54/54/134265454.db2.gz GOVDVLWSEWYKMJ-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000067407195 134397899 /nfs/dbraw/zinc/39/78/99/134397899.db2.gz UGPANQBDUHCDHP-MFKMUULPSA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000067407195 134397901 /nfs/dbraw/zinc/39/79/01/134397901.db2.gz UGPANQBDUHCDHP-MFKMUULPSA-N 1 2 236.290 2.093 20 30 BEEDLO N#CCC[NH2+]Cc1cccc(Cl)c1F ZINC000229235966 135011030 /nfs/dbraw/zinc/01/10/30/135011030.db2.gz VYHAUINNQHKHBZ-UHFFFAOYSA-N 1 2 212.655 2.482 20 30 BEEDLO C=CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339063477 135055882 /nfs/dbraw/zinc/05/58/82/135055882.db2.gz XRVKDHQFUUANDN-UHFFFAOYSA-N 1 2 248.282 2.451 20 30 BEEDLO C=CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339063477 135055884 /nfs/dbraw/zinc/05/58/84/135055884.db2.gz XRVKDHQFUUANDN-UHFFFAOYSA-N 1 2 248.282 2.451 20 30 BEEDLO CC#CC[N@H+](C)Cc1cn2cc(C)ccc2n1 ZINC000339750816 135080464 /nfs/dbraw/zinc/08/04/64/135080464.db2.gz GNXFPHZDZBCOMZ-UHFFFAOYSA-N 1 2 227.311 2.098 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cn2cc(C)ccc2n1 ZINC000339750816 135080467 /nfs/dbraw/zinc/08/04/67/135080467.db2.gz GNXFPHZDZBCOMZ-UHFFFAOYSA-N 1 2 227.311 2.098 20 30 BEEDLO N#CC1(C[N@@H+]2CCOC[C@@H]2CC2CCC2)CC1 ZINC000339777225 135081409 /nfs/dbraw/zinc/08/14/09/135081409.db2.gz QWGQPZLYOMUURS-ZDUSSCGKSA-N 1 2 234.343 2.181 20 30 BEEDLO N#CC1(C[N@H+]2CCOC[C@@H]2CC2CCC2)CC1 ZINC000339777225 135081410 /nfs/dbraw/zinc/08/14/10/135081410.db2.gz QWGQPZLYOMUURS-ZDUSSCGKSA-N 1 2 234.343 2.181 20 30 BEEDLO CCOC(=O)C(C)(C)[N@H+](C)CCC(C)(C)C#N ZINC000339791575 135082452 /nfs/dbraw/zinc/08/24/52/135082452.db2.gz YWGKQIQQJQBVFB-UHFFFAOYSA-N 1 2 240.347 2.200 20 30 BEEDLO CCOC(=O)C(C)(C)[N@@H+](C)CCC(C)(C)C#N ZINC000339791575 135082454 /nfs/dbraw/zinc/08/24/54/135082454.db2.gz YWGKQIQQJQBVFB-UHFFFAOYSA-N 1 2 240.347 2.200 20 30 BEEDLO CC[N@@H+](Cc1ccnc(OC)c1)C[C@H](C)C#N ZINC000339864495 135086233 /nfs/dbraw/zinc/08/62/33/135086233.db2.gz DPIMCYZAGBSBHG-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO CC[N@H+](Cc1ccnc(OC)c1)C[C@H](C)C#N ZINC000339864495 135086234 /nfs/dbraw/zinc/08/62/34/135086234.db2.gz DPIMCYZAGBSBHG-LLVKDONJSA-N 1 2 233.315 2.072 20 30 BEEDLO COc1cc(C[N@H+](CCC#N)CC2CC2)ccn1 ZINC000339864988 135086650 /nfs/dbraw/zinc/08/66/50/135086650.db2.gz HDCBNWJQXFRCQK-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1cc(C[N@@H+](CCC#N)CC2CC2)ccn1 ZINC000339864988 135086652 /nfs/dbraw/zinc/08/66/52/135086652.db2.gz HDCBNWJQXFRCQK-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000259952007 135106044 /nfs/dbraw/zinc/10/60/44/135106044.db2.gz LFFQDJRHLDSZPO-WDEREUQCSA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000259952007 135106045 /nfs/dbraw/zinc/10/60/45/135106045.db2.gz LFFQDJRHLDSZPO-WDEREUQCSA-N 1 2 203.289 2.234 20 30 BEEDLO Cc1ccc2[nH+]c(CN(C)C[C@@H](C)C#N)cn2c1 ZINC000263738597 135127808 /nfs/dbraw/zinc/12/78/08/135127808.db2.gz UDXYNBPRFDRUDE-LBPRGKRZSA-N 1 2 242.326 2.234 20 30 BEEDLO Cc1ccc([C@@H](O)C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000266549343 135148420 /nfs/dbraw/zinc/14/84/20/135148420.db2.gz SXZOTOQEYIRDHP-OCCSQVGLSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1ccc([C@@H](O)C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000266549343 135148423 /nfs/dbraw/zinc/14/84/23/135148423.db2.gz SXZOTOQEYIRDHP-OCCSQVGLSA-N 1 2 232.327 2.120 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000269579979 135165431 /nfs/dbraw/zinc/16/54/31/135165431.db2.gz POFGDVYVIIDBIH-LBPRGKRZSA-N 1 2 230.286 2.269 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000269579979 135165432 /nfs/dbraw/zinc/16/54/32/135165432.db2.gz POFGDVYVIIDBIH-LBPRGKRZSA-N 1 2 230.286 2.269 20 30 BEEDLO N#CCCOCCSc1[nH+]cc2ccccn21 ZINC000292550879 135177475 /nfs/dbraw/zinc/17/74/75/135177475.db2.gz CDBFGRVMUHXKOY-UHFFFAOYSA-N 1 2 247.323 2.357 20 30 BEEDLO C=CCN(CCC#N)Cc1cccc2[nH+]ccn21 ZINC000292742532 135178051 /nfs/dbraw/zinc/17/80/51/135178051.db2.gz HOKSRFNWSZYFQQ-UHFFFAOYSA-N 1 2 240.310 2.236 20 30 BEEDLO Cc1ccc(O)c(C[NH+]2CC(C)(C#N)C2)c1 ZINC000297417510 135195528 /nfs/dbraw/zinc/19/55/28/135195528.db2.gz MBSDATYORPQAES-UHFFFAOYSA-N 1 2 216.284 2.046 20 30 BEEDLO C=CCN(CCC#N)C(=O)Nc1cc[nH+]c(C)c1 ZINC000297653279 135196603 /nfs/dbraw/zinc/19/66/03/135196603.db2.gz DRMPITHRDNIHHP-UHFFFAOYSA-N 1 2 244.298 2.324 20 30 BEEDLO CC(C)([NH2+]CCC#N)c1ccccc1[N+](=O)[O-] ZINC000298048067 135197446 /nfs/dbraw/zinc/19/74/46/135197446.db2.gz DVJRXFDWCUBYGD-UHFFFAOYSA-N 1 2 233.271 2.333 20 30 BEEDLO Cc1csc([C@@H]([NH2+]CCC#N)C2CC2)n1 ZINC000298830682 135201473 /nfs/dbraw/zinc/20/14/73/135201473.db2.gz HCXOKOXCTYCXDV-JTQLQIEISA-N 1 2 221.329 2.406 20 30 BEEDLO C=CCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000121015782 135221711 /nfs/dbraw/zinc/22/17/11/135221711.db2.gz YDNCNXAKTNCVMD-LBPRGKRZSA-N 1 2 249.310 2.129 20 30 BEEDLO C=CCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000121015782 135221713 /nfs/dbraw/zinc/22/17/13/135221713.db2.gz YDNCNXAKTNCVMD-LBPRGKRZSA-N 1 2 249.310 2.129 20 30 BEEDLO C=CC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000121601446 135225789 /nfs/dbraw/zinc/22/57/89/135225789.db2.gz ZELGLDCMMLCMRJ-UHFFFAOYSA-N 1 2 204.248 2.315 20 30 BEEDLO C=CC[N@H+](C)Cc1cc(F)ccc1C#N ZINC000121601446 135225790 /nfs/dbraw/zinc/22/57/90/135225790.db2.gz ZELGLDCMMLCMRJ-UHFFFAOYSA-N 1 2 204.248 2.315 20 30 BEEDLO C=C(C)CN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000334297863 135334581 /nfs/dbraw/zinc/33/45/81/135334581.db2.gz DFBFZQLHEAGTOV-UHFFFAOYSA-N 1 2 216.288 2.279 20 30 BEEDLO C[C@H]1COCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000334340437 135363375 /nfs/dbraw/zinc/36/33/75/135363375.db2.gz MWSVILDYUIFABJ-LLVKDONJSA-N 1 2 248.301 2.166 20 30 BEEDLO C[C@H]1COCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000334340437 135363377 /nfs/dbraw/zinc/36/33/77/135363377.db2.gz MWSVILDYUIFABJ-LLVKDONJSA-N 1 2 248.301 2.166 20 30 BEEDLO CC[N@@H+](CC#N)CCCOCc1ccccc1 ZINC000273191346 135365790 /nfs/dbraw/zinc/36/57/90/135365790.db2.gz JEHLXPQEDQDSHO-UHFFFAOYSA-N 1 2 232.327 2.439 20 30 BEEDLO CC[N@H+](CC#N)CCCOCc1ccccc1 ZINC000273191346 135365792 /nfs/dbraw/zinc/36/57/92/135365792.db2.gz JEHLXPQEDQDSHO-UHFFFAOYSA-N 1 2 232.327 2.439 20 30 BEEDLO Cc1cc(N)nc(S[C@@H]2CC[C@H](C#N)C2)[nH+]1 ZINC000278538159 135368452 /nfs/dbraw/zinc/36/84/52/135368452.db2.gz JKXSRCXSYADNOR-DTWKUNHWSA-N 1 2 234.328 2.152 20 30 BEEDLO Cn1cccc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000093584514 135601741 /nfs/dbraw/zinc/60/17/41/135601741.db2.gz FXKRMCRXPRFBIQ-UHFFFAOYSA-N 1 2 229.283 2.122 20 30 BEEDLO Cn1cccc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093584514 135601742 /nfs/dbraw/zinc/60/17/42/135601742.db2.gz FXKRMCRXPRFBIQ-UHFFFAOYSA-N 1 2 229.283 2.122 20 30 BEEDLO C#CCC[N@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000367006253 136003417 /nfs/dbraw/zinc/00/34/17/136003417.db2.gz ACTGGULPJLUASM-NSHDSACASA-N 1 2 233.315 2.182 20 30 BEEDLO C#CCC[N@@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000367006253 136003418 /nfs/dbraw/zinc/00/34/18/136003418.db2.gz ACTGGULPJLUASM-NSHDSACASA-N 1 2 233.315 2.182 20 30 BEEDLO COCC[C@@H]([NH2+]CC1(C#N)CC1)c1ccco1 ZINC000347918603 136018277 /nfs/dbraw/zinc/01/82/77/136018277.db2.gz BFFQIQDIXSRLIV-LLVKDONJSA-N 1 2 234.299 2.251 20 30 BEEDLO CC[C@@H]1C[C@@H](C[NH+]2CC(C)(C#N)C2)CCO1 ZINC000335358383 136075054 /nfs/dbraw/zinc/07/50/54/136075054.db2.gz OTNQHXNVBJUOLH-NWDGAFQWSA-N 1 2 222.332 2.037 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncccn1 ZINC000335389985 136090350 /nfs/dbraw/zinc/09/03/50/136090350.db2.gz ZZVBZKJJIJNKJN-LLVKDONJSA-N 1 2 203.289 2.017 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncccn1 ZINC000335389985 136090351 /nfs/dbraw/zinc/09/03/51/136090351.db2.gz ZZVBZKJJIJNKJN-LLVKDONJSA-N 1 2 203.289 2.017 20 30 BEEDLO CC1(C(N)=O)C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000335398463 136093384 /nfs/dbraw/zinc/09/33/84/136093384.db2.gz UTTGVZAWXQNBQA-UHFFFAOYSA-N 1 2 247.273 2.055 20 30 BEEDLO C[C@H]1CC[N@H+](CC2(C#N)CCC2)[C@@H](C(N)=O)C1 ZINC000335586653 136102466 /nfs/dbraw/zinc/10/24/66/136102466.db2.gz RHVWZJVIWLTFKS-WDEREUQCSA-N 1 2 235.331 2.316 20 30 BEEDLO C[C@H]1CC[N@@H+](CC2(C#N)CCC2)[C@@H](C(N)=O)C1 ZINC000335586653 136102467 /nfs/dbraw/zinc/10/24/67/136102467.db2.gz RHVWZJVIWLTFKS-WDEREUQCSA-N 1 2 235.331 2.316 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCc1ccccc1C ZINC000590746288 397910300 /nfs/dbraw/zinc/91/03/00/397910300.db2.gz JMDHIKKMLSSNEO-AWEZNQCLSA-N 1 2 247.338 2.197 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCc1ccccc1C ZINC000590746288 397910302 /nfs/dbraw/zinc/91/03/02/397910302.db2.gz JMDHIKKMLSSNEO-AWEZNQCLSA-N 1 2 247.338 2.197 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(F)c1O ZINC000272287986 397976905 /nfs/dbraw/zinc/97/69/05/397976905.db2.gz NUDCSYCFYFYUHY-VIFPVBQESA-N 1 2 222.263 2.265 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(F)c1O ZINC000272287986 397976908 /nfs/dbraw/zinc/97/69/08/397976908.db2.gz NUDCSYCFYFYUHY-VIFPVBQESA-N 1 2 222.263 2.265 20 30 BEEDLO C=C(C)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000640109686 398072407 /nfs/dbraw/zinc/07/24/07/398072407.db2.gz BVPGFGNDTFGFFI-UHFFFAOYSA-N 1 2 246.354 2.086 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000491633991 398050762 /nfs/dbraw/zinc/05/07/62/398050762.db2.gz JFKVDQDJOVSZPD-ZDUSSCGKSA-N 1 2 239.322 2.326 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000491633991 398050766 /nfs/dbraw/zinc/05/07/66/398050766.db2.gz JFKVDQDJOVSZPD-ZDUSSCGKSA-N 1 2 239.322 2.326 20 30 BEEDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(F)ccc1C#N ZINC001650617489 1172882073 /nfs/dbraw/zinc/88/20/73/1172882073.db2.gz MNIVJCXDUYETCK-JTQLQIEISA-N 1 2 244.273 2.394 20 30 BEEDLO N#C[C@H]1CC[C@@H]([NH2+]Cc2n[nH]c3ccccc32)C1 ZINC001651245564 1172935027 /nfs/dbraw/zinc/93/50/27/1172935027.db2.gz CARYBTAOWPHXEK-WDEREUQCSA-N 1 2 240.310 2.345 20 30 BEEDLO C#CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265403401 166149689 /nfs/dbraw/zinc/14/96/89/166149689.db2.gz YXPYJSTYAOHRHK-UHFFFAOYSA-N 1 2 201.273 2.098 20 30 BEEDLO CCCn1c[nH+]cc1CN(CCC#N)CC1CC1 ZINC001651831181 1172992851 /nfs/dbraw/zinc/99/28/51/1172992851.db2.gz NTOAJNDCQVWHCX-UHFFFAOYSA-N 1 2 246.358 2.419 20 30 BEEDLO N#CCC[N@@H+](Cc1ccco1)CC1CCOCC1 ZINC000081517443 410075993 /nfs/dbraw/zinc/07/59/93/410075993.db2.gz GNOQHNBZISCPMO-UHFFFAOYSA-N 1 2 248.326 2.422 20 30 BEEDLO N#CCC[N@H+](Cc1ccco1)CC1CCOCC1 ZINC000081517443 410076004 /nfs/dbraw/zinc/07/60/04/410076004.db2.gz GNOQHNBZISCPMO-UHFFFAOYSA-N 1 2 248.326 2.422 20 30 BEEDLO N#CCC[N@@H+](CCCCCO)Cc1ccco1 ZINC000081517327 410076734 /nfs/dbraw/zinc/07/67/34/410076734.db2.gz WBUHXPFURBKNHV-UHFFFAOYSA-N 1 2 236.315 2.158 20 30 BEEDLO N#CCC[N@H+](CCCCCO)Cc1ccco1 ZINC000081517327 410076742 /nfs/dbraw/zinc/07/67/42/410076742.db2.gz WBUHXPFURBKNHV-UHFFFAOYSA-N 1 2 236.315 2.158 20 30 BEEDLO C=CC[N@H+](Cc1nc(C)cs1)[C@H](C)COC ZINC000661239522 410400033 /nfs/dbraw/zinc/40/00/33/410400033.db2.gz HPZDGTIKAZHJKG-LLVKDONJSA-N 1 2 240.372 2.474 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C)cs1)[C@H](C)COC ZINC000661239522 410400039 /nfs/dbraw/zinc/40/00/39/410400039.db2.gz HPZDGTIKAZHJKG-LLVKDONJSA-N 1 2 240.372 2.474 20 30 BEEDLO C=CCCNc1cc(NC2CC2)nc[nH+]1 ZINC000664226436 410522165 /nfs/dbraw/zinc/52/21/65/410522165.db2.gz JGINYTUMGCBRDL-UHFFFAOYSA-N 1 2 204.277 2.039 20 30 BEEDLO C=CCCNc1cc(NC2CC2)[nH+]cn1 ZINC000664226436 410522172 /nfs/dbraw/zinc/52/21/72/410522172.db2.gz JGINYTUMGCBRDL-UHFFFAOYSA-N 1 2 204.277 2.039 20 30 BEEDLO C=CCN(C(=O)c1ccc2[nH+]ccn2c1)C1CC1 ZINC000271570750 166312574 /nfs/dbraw/zinc/31/25/74/166312574.db2.gz UDMJLRDYEQRRAA-UHFFFAOYSA-N 1 2 241.294 2.125 20 30 BEEDLO C=CCN(C)Cc1cc(OC)cc(C)[nH+]1 ZINC000275057063 166321714 /nfs/dbraw/zinc/32/17/14/166321714.db2.gz NTGKGOCIVCSXQU-UHFFFAOYSA-N 1 2 206.289 2.016 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1ncc(C2CC2)o1 ZINC000362048693 166340919 /nfs/dbraw/zinc/34/09/19/166340919.db2.gz PUARPNXDVXLIEL-UHFFFAOYSA-N 1 2 236.315 2.186 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1ncc(C2CC2)o1 ZINC000362048693 166340921 /nfs/dbraw/zinc/34/09/21/166340921.db2.gz PUARPNXDVXLIEL-UHFFFAOYSA-N 1 2 236.315 2.186 20 30 BEEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnc(C)o1 ZINC000272317249 166345007 /nfs/dbraw/zinc/34/50/07/166345007.db2.gz SUDQLHBWWOANCR-UHFFFAOYSA-N 1 2 247.298 2.202 20 30 BEEDLO C=CC[N@H+](CCc1ccco1)Cc1nnc(C)o1 ZINC000272317249 166345009 /nfs/dbraw/zinc/34/50/09/166345009.db2.gz SUDQLHBWWOANCR-UHFFFAOYSA-N 1 2 247.298 2.202 20 30 BEEDLO C=CC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000173714225 166397581 /nfs/dbraw/zinc/39/75/81/166397581.db2.gz MCRQTRIYHSYONC-UHFFFAOYSA-N 1 2 233.315 2.492 20 30 BEEDLO C=CC1CCN(c2nc[nH+]c(C)c2OC)CC1 ZINC000656124886 411182505 /nfs/dbraw/zinc/18/25/05/411182505.db2.gz LUXWAEZMDQSCDU-UHFFFAOYSA-N 1 2 233.315 2.196 20 30 BEEDLO C=CCCOCCNc1nc(C)[nH+]cc1C ZINC000656150720 411187568 /nfs/dbraw/zinc/18/75/68/411187568.db2.gz QPBQXPSZYHTDRL-UHFFFAOYSA-N 1 2 221.304 2.098 20 30 BEEDLO C=CCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000658112883 411247195 /nfs/dbraw/zinc/24/71/95/411247195.db2.gz AFSJCFRXFPWKDK-SNVBAGLBSA-N 1 2 234.328 2.121 20 30 BEEDLO CC#CC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000267705563 411230438 /nfs/dbraw/zinc/23/04/38/411230438.db2.gz JNFYPQITAZMINW-UHFFFAOYSA-N 1 2 221.250 2.346 20 30 BEEDLO CC#CC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000267705563 411230440 /nfs/dbraw/zinc/23/04/40/411230440.db2.gz JNFYPQITAZMINW-UHFFFAOYSA-N 1 2 221.250 2.346 20 30 BEEDLO Cc1csc(C[NH+]2CCC(C#N)CC2)n1 ZINC000094966508 411352828 /nfs/dbraw/zinc/35/28/28/411352828.db2.gz KYXWRQXONDKAJE-UHFFFAOYSA-N 1 2 221.329 2.187 20 30 BEEDLO C=CC[N@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662233303 411382339 /nfs/dbraw/zinc/38/23/39/411382339.db2.gz CYBYUVSJSMFPOA-IUCAKERBSA-N 1 2 223.238 2.214 20 30 BEEDLO C=CC[N@@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662233303 411382341 /nfs/dbraw/zinc/38/23/41/411382341.db2.gz CYBYUVSJSMFPOA-IUCAKERBSA-N 1 2 223.238 2.214 20 30 BEEDLO C=CCCn1cc(C[NH2+]Cc2ccsc2)nn1 ZINC000657311053 411459527 /nfs/dbraw/zinc/45/95/27/411459527.db2.gz SKASPJUYXAXUQT-UHFFFAOYSA-N 1 2 248.355 2.206 20 30 BEEDLO C=CC[NH+](CC=C)[C@H](C)c1nnc(CC)[nH]1 ZINC000659837612 411470830 /nfs/dbraw/zinc/47/08/30/411470830.db2.gz GPJDEKWVHMUNHO-SNVBAGLBSA-N 1 2 220.320 2.102 20 30 BEEDLO C=C1CC[NH+](Cc2cc(OC)ns2)CC1 ZINC000659912828 411496687 /nfs/dbraw/zinc/49/66/87/411496687.db2.gz ZYHHZGYBNFPJEN-UHFFFAOYSA-N 1 2 224.329 2.304 20 30 BEEDLO C=CC[N@@H+](Cc1noc(C)n1)C(C)(C)C ZINC000661754916 411867313 /nfs/dbraw/zinc/86/73/13/411867313.db2.gz HBTAFZVUWULBDQ-UHFFFAOYSA-N 1 2 209.293 2.165 20 30 BEEDLO C=CC[N@H+](Cc1noc(C)n1)C(C)(C)C ZINC000661754916 411867316 /nfs/dbraw/zinc/86/73/16/411867316.db2.gz HBTAFZVUWULBDQ-UHFFFAOYSA-N 1 2 209.293 2.165 20 30 BEEDLO C=CC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661732221 411861454 /nfs/dbraw/zinc/86/14/54/411861454.db2.gz UAFHGZFKSRTFBR-CYBMUJFWSA-N 1 2 221.275 2.385 20 30 BEEDLO C=CC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661732221 411861457 /nfs/dbraw/zinc/86/14/57/411861457.db2.gz UAFHGZFKSRTFBR-CYBMUJFWSA-N 1 2 221.275 2.385 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000662097189 411985981 /nfs/dbraw/zinc/98/59/81/411985981.db2.gz NZMZLKWZLYWKPU-LBPRGKRZSA-N 1 2 245.322 2.389 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000662097189 411985982 /nfs/dbraw/zinc/98/59/82/411985982.db2.gz NZMZLKWZLYWKPU-LBPRGKRZSA-N 1 2 245.322 2.389 20 30 BEEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000662167264 412015609 /nfs/dbraw/zinc/01/56/09/412015609.db2.gz XICQCBBWPCDITF-VHSXEESVSA-N 1 2 238.331 2.170 20 30 BEEDLO C[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000082687999 177104525 /nfs/dbraw/zinc/10/45/25/177104525.db2.gz PGKZCEUHDAGLTI-VIFPVBQESA-N 1 2 221.329 2.247 20 30 BEEDLO C[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000082687999 177104526 /nfs/dbraw/zinc/10/45/26/177104526.db2.gz PGKZCEUHDAGLTI-VIFPVBQESA-N 1 2 221.329 2.247 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000126934157 177261975 /nfs/dbraw/zinc/26/19/75/177261975.db2.gz HKBYAOBDIALSLU-AOOOYVTPSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H](C)O1 ZINC000126934157 177261976 /nfs/dbraw/zinc/26/19/76/177261976.db2.gz HKBYAOBDIALSLU-AOOOYVTPSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)C/C=C\c1ccncc1 ZINC000495176164 226277859 /nfs/dbraw/zinc/27/78/59/226277859.db2.gz RRDPUIZAYBJVBO-VSQXVHSFSA-N 1 2 215.300 2.186 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)C/C=C\c1ccncc1 ZINC000495176164 226277860 /nfs/dbraw/zinc/27/78/60/226277860.db2.gz RRDPUIZAYBJVBO-VSQXVHSFSA-N 1 2 215.300 2.186 20 30 BEEDLO C=C[C@@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000674985690 487663168 /nfs/dbraw/zinc/66/31/68/487663168.db2.gz OWMLDXGQLKNINP-SECBINFHSA-N 1 2 230.271 2.030 20 30 BEEDLO C=C(C)C[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671714180 487704835 /nfs/dbraw/zinc/70/48/35/487704835.db2.gz OXCSKWJJYCAEHY-RKDXNWHRSA-N 1 2 223.238 2.214 20 30 BEEDLO C=C(C)C[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671714180 487704837 /nfs/dbraw/zinc/70/48/37/487704837.db2.gz OXCSKWJJYCAEHY-RKDXNWHRSA-N 1 2 223.238 2.214 20 30 BEEDLO Cc1cc(NCC2(C)CCC2)c(C#N)c[nH+]1 ZINC000399462578 267299728 /nfs/dbraw/zinc/29/97/28/267299728.db2.gz QNXMVMXQZXSJHI-UHFFFAOYSA-N 1 2 215.300 2.286 20 30 BEEDLO Cc1cc(NCCCOCC(C)C)c(C#N)c[nH+]1 ZINC000399510683 267299871 /nfs/dbraw/zinc/29/98/71/267299871.db2.gz NALIJSZOKDZNPK-UHFFFAOYSA-N 1 2 247.342 2.158 20 30 BEEDLO Cc1cc(N(C)CCC2CC2)c(C#N)c[nH+]1 ZINC000399396104 267330887 /nfs/dbraw/zinc/33/08/87/267330887.db2.gz PXBQBODNCJAKKN-UHFFFAOYSA-N 1 2 215.300 2.498 20 30 BEEDLO C=C[C@](C)(CC)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819782579 586994707 /nfs/dbraw/zinc/99/47/07/586994707.db2.gz OKWWVCJXOMNLNN-LDYMZIIASA-N 1 2 226.345 2.196 20 30 BEEDLO C=CC[N@@H+](C)Cc1ccnc(Cl)c1F ZINC000824208883 587260815 /nfs/dbraw/zinc/26/08/15/587260815.db2.gz IXPJNOZABIBTOD-UHFFFAOYSA-N 1 2 214.671 2.492 20 30 BEEDLO C=CC[N@H+](C)Cc1ccnc(Cl)c1F ZINC000824208883 587260816 /nfs/dbraw/zinc/26/08/16/587260816.db2.gz IXPJNOZABIBTOD-UHFFFAOYSA-N 1 2 214.671 2.492 20 30 BEEDLO CC(C)CC(=O)CC[N@@H+](C)C[C@@H](C)C#N ZINC000827853135 587405635 /nfs/dbraw/zinc/40/56/35/587405635.db2.gz XWXSLZSIUHRMQL-NSHDSACASA-N 1 2 210.321 2.083 20 30 BEEDLO CC(C)CC(=O)CC[N@H+](C)C[C@@H](C)C#N ZINC000827853135 587405633 /nfs/dbraw/zinc/40/56/33/587405633.db2.gz XWXSLZSIUHRMQL-NSHDSACASA-N 1 2 210.321 2.083 20 30 BEEDLO CC(C)c1noc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595610395 487872815 /nfs/dbraw/zinc/87/28/15/487872815.db2.gz XTMNJPSXIMEFLE-NSHDSACASA-N 1 2 248.330 2.319 20 30 BEEDLO CC(C)c1noc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595610395 487872820 /nfs/dbraw/zinc/87/28/20/487872820.db2.gz XTMNJPSXIMEFLE-NSHDSACASA-N 1 2 248.330 2.319 20 30 BEEDLO COCC#CC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000669942807 487950877 /nfs/dbraw/zinc/95/08/77/487950877.db2.gz IIONEYDYZRSBHZ-HNNXBMFYSA-N 1 2 247.313 2.207 20 30 BEEDLO COCC#CC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000669942807 487950884 /nfs/dbraw/zinc/95/08/84/487950884.db2.gz IIONEYDYZRSBHZ-HNNXBMFYSA-N 1 2 247.313 2.207 20 30 BEEDLO C=Cn1cc(C[N@@H+](CCC#N)C(C)C)cn1 ZINC000570638553 323065765 /nfs/dbraw/zinc/06/57/65/323065765.db2.gz QWCNTQXMVLLRFJ-UHFFFAOYSA-N 1 2 218.304 2.108 20 30 BEEDLO C=Cn1cc(C[N@H+](CCC#N)C(C)C)cn1 ZINC000570638553 323065766 /nfs/dbraw/zinc/06/57/66/323065766.db2.gz QWCNTQXMVLLRFJ-UHFFFAOYSA-N 1 2 218.304 2.108 20 30 BEEDLO C#CC[N@@H+](CC#CC)C[C@@H](C)C(F)(F)F ZINC000490839112 323075560 /nfs/dbraw/zinc/07/55/60/323075560.db2.gz GISVMZBGWIFAPT-SNVBAGLBSA-N 1 2 217.234 2.143 20 30 BEEDLO C#CC[N@H+](CC#CC)C[C@@H](C)C(F)(F)F ZINC000490839112 323075561 /nfs/dbraw/zinc/07/55/61/323075561.db2.gz GISVMZBGWIFAPT-SNVBAGLBSA-N 1 2 217.234 2.143 20 30 BEEDLO C=C(C)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000118836120 323087303 /nfs/dbraw/zinc/08/73/03/323087303.db2.gz HCDSMTCEAWBNGO-CQSZACIVSA-N 1 2 245.370 2.336 20 30 BEEDLO C=C(C)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000118836118 323087363 /nfs/dbraw/zinc/08/73/63/323087363.db2.gz HCDSMTCEAWBNGO-AWEZNQCLSA-N 1 2 245.370 2.336 20 30 BEEDLO C=CCC(C)(C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000563402551 323123061 /nfs/dbraw/zinc/12/30/61/323123061.db2.gz AYHZXKWFESQGCZ-LLVKDONJSA-N 1 2 249.358 2.307 20 30 BEEDLO C=CCC(C)(C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000563402551 323123062 /nfs/dbraw/zinc/12/30/62/323123062.db2.gz AYHZXKWFESQGCZ-LLVKDONJSA-N 1 2 249.358 2.307 20 30 BEEDLO Cc1[nH]c(CNCc2cccc(C#N)c2)[nH+]c1C ZINC000563440593 323126033 /nfs/dbraw/zinc/12/60/33/323126033.db2.gz MUGABSPOPWLFNX-UHFFFAOYSA-N 1 2 240.310 2.188 20 30 BEEDLO CC[C@H](CC#N)NCc1[nH+]ccn1C(C)C ZINC000571294995 323140687 /nfs/dbraw/zinc/14/06/87/323140687.db2.gz LXUVUWKLMDRQPI-LLVKDONJSA-N 1 2 220.320 2.246 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1nccn1C(C)C ZINC000571294995 323140688 /nfs/dbraw/zinc/14/06/88/323140688.db2.gz LXUVUWKLMDRQPI-LLVKDONJSA-N 1 2 220.320 2.246 20 30 BEEDLO COc1ccc(C)cc1C[N@H+](C)CCC#N ZINC000048583420 323154422 /nfs/dbraw/zinc/15/44/22/323154422.db2.gz QUINCVLWAZQPMG-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO COc1ccc(C)cc1C[N@@H+](C)CCC#N ZINC000048583420 323154423 /nfs/dbraw/zinc/15/44/23/323154423.db2.gz QUINCVLWAZQPMG-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO Cc1ccc(O)c(C[N@@H+](CCC#N)C(C)C)n1 ZINC000535077590 323165659 /nfs/dbraw/zinc/16/56/59/323165659.db2.gz QKGBAKGLJLQPFW-UHFFFAOYSA-N 1 2 233.315 2.220 20 30 BEEDLO Cc1ccc(O)c(C[N@H+](CCC#N)C(C)C)n1 ZINC000535077590 323165660 /nfs/dbraw/zinc/16/56/60/323165660.db2.gz QKGBAKGLJLQPFW-UHFFFAOYSA-N 1 2 233.315 2.220 20 30 BEEDLO CCCc1csc(C[NH2+]C[C@@H](C)C#N)n1 ZINC000309026543 323194490 /nfs/dbraw/zinc/19/44/90/323194490.db2.gz AWZOCRZYLJZVDS-VIFPVBQESA-N 1 2 223.345 2.345 20 30 BEEDLO C=CCCO[C@@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536575600 323198153 /nfs/dbraw/zinc/19/81/53/323198153.db2.gz XAIYNRWHQMJFDK-LBPRGKRZSA-N 1 2 248.326 2.040 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(C)cc[nH+]c1C ZINC000571913909 323506568 /nfs/dbraw/zinc/50/65/68/323506568.db2.gz YPHODTWWNCYQHL-NEPJUHHUSA-N 1 2 246.310 2.228 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc(CCC(C)C)no1 ZINC000121267980 324007390 /nfs/dbraw/zinc/00/73/90/324007390.db2.gz VQEXRPJXLCEZEE-UHFFFAOYSA-N 1 2 223.320 2.276 20 30 BEEDLO C=CC[N@H+](C)Cc1nc(CCC(C)C)no1 ZINC000121267980 324007391 /nfs/dbraw/zinc/00/73/91/324007391.db2.gz VQEXRPJXLCEZEE-UHFFFAOYSA-N 1 2 223.320 2.276 20 30 BEEDLO C=CC[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000529689367 324377688 /nfs/dbraw/zinc/37/76/88/324377688.db2.gz NTNUHAYGIRRCGV-ZDUSSCGKSA-N 1 2 247.342 2.088 20 30 BEEDLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(C#N)cc1F ZINC000543762439 325112377 /nfs/dbraw/zinc/11/23/77/325112377.db2.gz UXNLYHOURJEAIN-SECBINFHSA-N 1 2 244.273 2.271 20 30 BEEDLO N#Cc1cccc(NCCCCn2cc[nH+]c2)n1 ZINC000081595970 325508775 /nfs/dbraw/zinc/50/87/75/325508775.db2.gz OESJZONKFMLILD-UHFFFAOYSA-N 1 2 241.298 2.042 20 30 BEEDLO C=CC[C@H](CC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566305744 326031776 /nfs/dbraw/zinc/03/17/76/326031776.db2.gz VWQGZETTXOQGCB-NEPJUHHUSA-N 1 2 235.331 2.305 20 30 BEEDLO C=CC[C@@H](CC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566305747 326031858 /nfs/dbraw/zinc/03/18/58/326031858.db2.gz VWQGZETTXOQGCB-NWDGAFQWSA-N 1 2 235.331 2.305 20 30 BEEDLO Cc1nc(C[NH2+]Cc2ccc(C#N)s2)[nH]c1C ZINC000566984010 326099958 /nfs/dbraw/zinc/09/99/58/326099958.db2.gz BOYNHWJWAPEXSB-UHFFFAOYSA-N 1 2 246.339 2.250 20 30 BEEDLO Cc1[nH]c(CNCc2ccc(C#N)s2)[nH+]c1C ZINC000566984010 326099959 /nfs/dbraw/zinc/09/99/59/326099959.db2.gz BOYNHWJWAPEXSB-UHFFFAOYSA-N 1 2 246.339 2.250 20 30 BEEDLO CC#CCC[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC000155258742 326190488 /nfs/dbraw/zinc/19/04/88/326190488.db2.gz DYUGYLJAMRDACL-UHFFFAOYSA-N 1 2 245.322 2.075 20 30 BEEDLO CC#CCC[N@H+](CC(=O)OC)Cc1ccccc1 ZINC000155258742 326190490 /nfs/dbraw/zinc/19/04/90/326190490.db2.gz DYUGYLJAMRDACL-UHFFFAOYSA-N 1 2 245.322 2.075 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000156026532 326216927 /nfs/dbraw/zinc/21/69/27/326216927.db2.gz OYJLSHKBTGDVSV-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000156026532 326216929 /nfs/dbraw/zinc/21/69/29/326216929.db2.gz OYJLSHKBTGDVSV-MNOVXSKESA-N 1 2 248.301 2.307 20 30 BEEDLO Cc1ccnc([C@@H]2CC[N@H+](CCC#N)C2)c1 ZINC000568181861 326322339 /nfs/dbraw/zinc/32/23/39/326322339.db2.gz BKQBYTMMMCAUGV-GFCCVEGCSA-N 1 2 215.300 2.093 20 30 BEEDLO Cc1ccnc([C@@H]2CC[N@@H+](CCC#N)C2)c1 ZINC000568181861 326322340 /nfs/dbraw/zinc/32/23/40/326322340.db2.gz BKQBYTMMMCAUGV-GFCCVEGCSA-N 1 2 215.300 2.093 20 30 BEEDLO C=Cn1cc(CNc2cc(CC#N)cc[nH+]2)cn1 ZINC000568471029 326358138 /nfs/dbraw/zinc/35/81/38/326358138.db2.gz NCACITNBHHKWMB-UHFFFAOYSA-N 1 2 239.282 2.057 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C)cc(C)nc1OC ZINC000569016852 326386932 /nfs/dbraw/zinc/38/69/32/326386932.db2.gz HCENMJITEDUXRN-LBPRGKRZSA-N 1 2 247.342 2.489 20 30 BEEDLO CC1(C#N)C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000569115807 326391141 /nfs/dbraw/zinc/39/11/41/326391141.db2.gz ZWHQSTICZREZDM-SECBINFHSA-N 1 2 214.259 2.267 20 30 BEEDLO COCC#CCSc1[nH+]cc2ccccn21 ZINC000677130328 487978075 /nfs/dbraw/zinc/97/80/75/487978075.db2.gz AINCMKONKHFCMI-UHFFFAOYSA-N 1 2 232.308 2.076 20 30 BEEDLO C=CCCC[C@@H](C)[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682548638 487986701 /nfs/dbraw/zinc/98/67/01/487986701.db2.gz YUNXYFYELFKBGY-MNOVXSKESA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCCC[C@@H](C)[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682548638 487986706 /nfs/dbraw/zinc/98/67/06/487986706.db2.gz YUNXYFYELFKBGY-MNOVXSKESA-N 1 2 233.302 2.433 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nnc(CC)s1 ZINC000680074934 487533429 /nfs/dbraw/zinc/53/34/29/487533429.db2.gz DAZIPHHQEQKMCA-UHFFFAOYSA-N 1 2 211.334 2.108 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nnc(CC)s1 ZINC000680074934 487533433 /nfs/dbraw/zinc/53/34/33/487533433.db2.gz DAZIPHHQEQKMCA-UHFFFAOYSA-N 1 2 211.334 2.108 20 30 BEEDLO C#CC[N@@H+](Cc1cn2cc(C)ccc2n1)C1CC1 ZINC000274006635 487507417 /nfs/dbraw/zinc/50/74/17/487507417.db2.gz ACRRBKRLXMDFCU-UHFFFAOYSA-N 1 2 239.322 2.240 20 30 BEEDLO C#CC[N@H+](Cc1cn2cc(C)ccc2n1)C1CC1 ZINC000274006635 487507422 /nfs/dbraw/zinc/50/74/22/487507422.db2.gz ACRRBKRLXMDFCU-UHFFFAOYSA-N 1 2 239.322 2.240 20 30 BEEDLO C#CC[N@H+](Cc1ccccc1)Cc1cncnc1 ZINC000491744308 491080439 /nfs/dbraw/zinc/08/04/39/491080439.db2.gz IWANHVNIIJXGLE-UHFFFAOYSA-N 1 2 237.306 2.112 20 30 BEEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cncnc1 ZINC000491744308 491080440 /nfs/dbraw/zinc/08/04/40/491080440.db2.gz IWANHVNIIJXGLE-UHFFFAOYSA-N 1 2 237.306 2.112 20 30 BEEDLO C=CCCOCCNc1cc(CC)[nH+]cn1 ZINC000229869497 491121468 /nfs/dbraw/zinc/12/14/68/491121468.db2.gz BCQLKFQOBHJFMH-UHFFFAOYSA-N 1 2 221.304 2.044 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc(C(C)(C)C)co1 ZINC000891805908 582724732 /nfs/dbraw/zinc/72/47/32/582724732.db2.gz RCRQPCCAGAXYNC-UHFFFAOYSA-N 1 2 220.316 2.427 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C#N)cc1F ZINC000273813793 536055601 /nfs/dbraw/zinc/05/56/01/536055601.db2.gz BLIVEHYISHGBAC-GFCCVEGCSA-N 1 2 231.274 2.479 20 30 BEEDLO CC(C)n1c[nH+]cc1CN(C)[C@@H](C)CC#N ZINC000425339899 517497563 /nfs/dbraw/zinc/49/75/63/517497563.db2.gz UOFWWMXJIGQMNW-NSHDSACASA-N 1 2 220.320 2.198 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCOCC12CCCC2 ZINC000360833349 534436256 /nfs/dbraw/zinc/43/62/56/534436256.db2.gz XZONJLFACAHAOP-UHFFFAOYSA-N 1 2 215.724 2.384 20 30 BEEDLO C=C(Cl)C[N@H+]1CCOCC12CCCC2 ZINC000360833349 534436261 /nfs/dbraw/zinc/43/62/61/534436261.db2.gz XZONJLFACAHAOP-UHFFFAOYSA-N 1 2 215.724 2.384 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000373795926 534443599 /nfs/dbraw/zinc/44/35/99/534443599.db2.gz GUXMJNNRNKOLHL-RYUDHWBXSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000373795926 534443608 /nfs/dbraw/zinc/44/36/08/534443608.db2.gz GUXMJNNRNKOLHL-RYUDHWBXSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C1CC[NH+]([C@H](C)c2nnc(CC)o2)CC1 ZINC000336148652 534468641 /nfs/dbraw/zinc/46/86/41/534468641.db2.gz PPBFHSOOGRIOIX-SNVBAGLBSA-N 1 2 221.304 2.345 20 30 BEEDLO C=CC(C)(C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000334611419 534500448 /nfs/dbraw/zinc/50/04/48/534500448.db2.gz OJHOWMZHJQMTNU-NXEZZACHSA-N 1 2 233.315 2.217 20 30 BEEDLO C=CCC(C)(C)C(=O)NCc1[nH+]ccn1CC ZINC000295483972 534539657 /nfs/dbraw/zinc/53/96/57/534539657.db2.gz FAETYKXQUOZTSV-UHFFFAOYSA-N 1 2 235.331 2.122 20 30 BEEDLO C=CCCC1(C(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000356304201 534638295 /nfs/dbraw/zinc/63/82/95/534638295.db2.gz SMFJBHARAJCYAJ-UHFFFAOYSA-N 1 2 233.315 2.081 20 30 BEEDLO C=CCCN(C)c1cc(NCCCC)[nH+]c(N)n1 ZINC000342963115 534771959 /nfs/dbraw/zinc/77/19/59/534771959.db2.gz UDNSEVQILQYDMY-UHFFFAOYSA-N 1 2 249.362 2.113 20 30 BEEDLO C=CCCN(C)c1cc(NCCCC)nc(N)[nH+]1 ZINC000342963115 534771967 /nfs/dbraw/zinc/77/19/67/534771967.db2.gz UDNSEVQILQYDMY-UHFFFAOYSA-N 1 2 249.362 2.113 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cccnc1OC ZINC000176460697 534830287 /nfs/dbraw/zinc/83/02/87/534830287.db2.gz UTPBWLVGWFPYSL-UHFFFAOYSA-N 1 2 218.300 2.264 20 30 BEEDLO CC#CCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494220347 526308034 /nfs/dbraw/zinc/30/80/34/526308034.db2.gz POYGIOLCTNZXDS-SNVBAGLBSA-N 1 2 201.260 2.377 20 30 BEEDLO CC#CCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494220347 526308038 /nfs/dbraw/zinc/30/80/38/526308038.db2.gz POYGIOLCTNZXDS-SNVBAGLBSA-N 1 2 201.260 2.377 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cn(C(C)C)nc1C ZINC000490997866 526864804 /nfs/dbraw/zinc/86/48/04/526864804.db2.gz VMLPTYPVYHTDAN-UHFFFAOYSA-N 1 2 243.354 2.231 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cn(C(C)C)nc1C ZINC000490997866 526864809 /nfs/dbraw/zinc/86/48/09/526864809.db2.gz VMLPTYPVYHTDAN-UHFFFAOYSA-N 1 2 243.354 2.231 20 30 BEEDLO C=CCCCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000471699728 527167087 /nfs/dbraw/zinc/16/70/87/527167087.db2.gz BZGZCFBVMWYJMQ-UHFFFAOYSA-N 1 2 243.310 2.420 20 30 BEEDLO C#C[C@@H](CCC)[NH2+][C@@H](CCCC)C(=O)OC ZINC000300399620 527260385 /nfs/dbraw/zinc/26/03/85/527260385.db2.gz ZSFNLQCHTHCOTK-RYUDHWBXSA-N 1 2 225.332 2.110 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(C)c(C)s1 ZINC000491706244 527332365 /nfs/dbraw/zinc/33/23/65/527332365.db2.gz LMDIZKXORXKYAP-QMMMGPOBSA-N 1 2 208.330 2.213 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(C)c(C)s1 ZINC000491706244 527332369 /nfs/dbraw/zinc/33/23/69/527332369.db2.gz LMDIZKXORXKYAP-QMMMGPOBSA-N 1 2 208.330 2.213 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000491734128 527333368 /nfs/dbraw/zinc/33/33/68/527333368.db2.gz NLIMQPBDYITOGV-JTQLQIEISA-N 1 2 220.316 2.426 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000491734128 527333372 /nfs/dbraw/zinc/33/33/72/527333372.db2.gz NLIMQPBDYITOGV-JTQLQIEISA-N 1 2 220.316 2.426 20 30 BEEDLO C=CC[N@@H+](C)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000492633801 527575339 /nfs/dbraw/zinc/57/53/39/527575339.db2.gz KTKLMLBECXZPHR-LLVKDONJSA-N 1 2 240.347 2.319 20 30 BEEDLO C=CC[N@H+](C)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000492633801 527575346 /nfs/dbraw/zinc/57/53/46/527575346.db2.gz KTKLMLBECXZPHR-LLVKDONJSA-N 1 2 240.347 2.319 20 30 BEEDLO CCC[N@H+](CC#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000355691546 535274798 /nfs/dbraw/zinc/27/47/98/535274798.db2.gz HQQPOBONEDLXTP-UTUOFQBUSA-N 1 2 222.332 2.035 20 30 BEEDLO CCC[N@@H+](CC#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000355691546 535274801 /nfs/dbraw/zinc/27/48/01/535274801.db2.gz HQQPOBONEDLXTP-UTUOFQBUSA-N 1 2 222.332 2.035 20 30 BEEDLO CC(C)(O)CC[N@H+](CCC#N)Cc1ccco1 ZINC000267472107 535283564 /nfs/dbraw/zinc/28/35/64/535283564.db2.gz VZMWVJZFZXNZSY-UHFFFAOYSA-N 1 2 236.315 2.156 20 30 BEEDLO CC(C)(O)CC[N@@H+](CCC#N)Cc1ccco1 ZINC000267472107 535283567 /nfs/dbraw/zinc/28/35/67/535283567.db2.gz VZMWVJZFZXNZSY-UHFFFAOYSA-N 1 2 236.315 2.156 20 30 BEEDLO CC1(C)COCC[N@@H+]1CC#Cc1ccccc1 ZINC000191962651 535361278 /nfs/dbraw/zinc/36/12/78/535361278.db2.gz GLYXIUCLZYZANZ-UHFFFAOYSA-N 1 2 229.323 2.149 20 30 BEEDLO CC1(C)COCC[N@H+]1CC#Cc1ccccc1 ZINC000191962651 535361279 /nfs/dbraw/zinc/36/12/79/535361279.db2.gz GLYXIUCLZYZANZ-UHFFFAOYSA-N 1 2 229.323 2.149 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cn(C)nc1C(F)F ZINC000291015285 535726795 /nfs/dbraw/zinc/72/67/95/535726795.db2.gz FSJJCKAMGWJTPL-VIFPVBQESA-N 1 2 242.273 2.140 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cncn1C(C)C ZINC000085188275 536057777 /nfs/dbraw/zinc/05/77/77/536057777.db2.gz CHDBKHWDLWQMOY-LLVKDONJSA-N 1 2 220.320 2.246 20 30 BEEDLO CC[C@H](CC#N)NCc1c[nH+]cn1C(C)C ZINC000085188275 536057781 /nfs/dbraw/zinc/05/77/81/536057781.db2.gz CHDBKHWDLWQMOY-LLVKDONJSA-N 1 2 220.320 2.246 20 30 BEEDLO COc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)nc1 ZINC000338290833 536857226 /nfs/dbraw/zinc/85/72/26/536857226.db2.gz WCZVUGDKPHRDOL-LLVKDONJSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)nc1 ZINC000338290833 536857232 /nfs/dbraw/zinc/85/72/32/536857232.db2.gz WCZVUGDKPHRDOL-LLVKDONJSA-N 1 2 245.326 2.214 20 30 BEEDLO COC[C@H]([NH2+]CC1(C#N)CC1)c1ccc(C)o1 ZINC000331804197 536874568 /nfs/dbraw/zinc/87/45/68/536874568.db2.gz ADVKCAMJHHGIRT-NSHDSACASA-N 1 2 234.299 2.169 20 30 BEEDLO C#CCCCCNc1cccc([C@H](C)O)[nH+]1 ZINC000892898337 583007162 /nfs/dbraw/zinc/00/71/62/583007162.db2.gz DKDHLKGTCJYTEF-NSHDSACASA-N 1 2 218.300 2.350 20 30 BEEDLO Cc1[nH]c(CN=Nc2ccc(C)cn2)[nH+]c1C ZINC000853300945 588731411 /nfs/dbraw/zinc/73/14/11/588731411.db2.gz KABYCKZLAHFHFD-UHFFFAOYSA-N 1 2 229.287 2.176 20 30 BEEDLO FC(F)(F)CCON=Cc1c[nH+]c2n1CCC2 ZINC000853336149 588734679 /nfs/dbraw/zinc/73/46/79/588734679.db2.gz QAZDXXVRTPRVMK-UHFFFAOYSA-N 1 2 247.220 2.132 20 30 BEEDLO CC[C@H](C)CON=Cc1c[nH+]c(C)n1C ZINC000853349844 588736778 /nfs/dbraw/zinc/73/67/78/588736778.db2.gz JSHOOHRHQXZBQA-VIFPVBQESA-N 1 2 209.293 2.125 20 30 BEEDLO FC(F)(F)[C@H]1CCC[C@@H](C=[NH+]n2ccnn2)C1 ZINC000853355104 588737391 /nfs/dbraw/zinc/73/73/91/588737391.db2.gz GTGBTQZEKTYTID-BDAKNGLRSA-N 1 2 246.236 2.481 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](C)OC ZINC000853520227 588747383 /nfs/dbraw/zinc/74/73/83/588747383.db2.gz JUGGZAFNXAGYGW-GFCCVEGCSA-N 1 2 248.326 2.321 20 30 BEEDLO N#CC[C@@H]1CCC[N@@H+](Cn2cccnc2=S)C1 ZINC000853526434 588747702 /nfs/dbraw/zinc/74/77/02/588747702.db2.gz RQVLWZIXMVCKFB-NSHDSACASA-N 1 2 248.355 2.196 20 30 BEEDLO N#CC[C@@H]1CCC[N@H+](Cn2cccnc2=S)C1 ZINC000853526434 588747703 /nfs/dbraw/zinc/74/77/03/588747703.db2.gz RQVLWZIXMVCKFB-NSHDSACASA-N 1 2 248.355 2.196 20 30 BEEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(C)C)cc1 ZINC000853654916 588752472 /nfs/dbraw/zinc/75/24/72/588752472.db2.gz YQSUCNKUVCLOAS-SNVBAGLBSA-N 1 2 236.315 2.377 20 30 BEEDLO C#CCCN(CCOC)c1cc[nH+]c(C(C)C)n1 ZINC000853982639 588770769 /nfs/dbraw/zinc/77/07/69/588770769.db2.gz HNRYYZRIDHEXOK-UHFFFAOYSA-N 1 2 247.342 2.076 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)C[C@H]1C[C@@]1(C)Br ZINC000891716069 582712766 /nfs/dbraw/zinc/71/27/66/582712766.db2.gz KSQZROZZMCYSEK-OPRDCNLKSA-N 1 2 245.164 2.251 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)C[C@H]1C[C@@]1(C)Br ZINC000891716069 582712767 /nfs/dbraw/zinc/71/27/67/582712767.db2.gz KSQZROZZMCYSEK-OPRDCNLKSA-N 1 2 245.164 2.251 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000891716279 582713197 /nfs/dbraw/zinc/71/31/97/582713197.db2.gz NDXLQQXCGASKFO-LBPRGKRZSA-N 1 2 246.358 2.275 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000891716279 582713198 /nfs/dbraw/zinc/71/31/98/582713198.db2.gz NDXLQQXCGASKFO-LBPRGKRZSA-N 1 2 246.358 2.275 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc(C(C)(C)C)co1 ZINC000891805908 582724730 /nfs/dbraw/zinc/72/47/30/582724730.db2.gz RCRQPCCAGAXYNC-UHFFFAOYSA-N 1 2 220.316 2.427 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cnn(C2CCC2)c1 ZINC000891933108 582740022 /nfs/dbraw/zinc/74/00/22/582740022.db2.gz AZOKRHTUHXKFIJ-LLVKDONJSA-N 1 2 232.331 2.342 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnn(C2CCC2)c1 ZINC000891933108 582740023 /nfs/dbraw/zinc/74/00/23/582740023.db2.gz AZOKRHTUHXKFIJ-LLVKDONJSA-N 1 2 232.331 2.342 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2csc(C#N)c2)[C@@H]1C ZINC000892048033 582773176 /nfs/dbraw/zinc/77/31/76/582773176.db2.gz GGYKKOYHHBRFJJ-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2csc(C#N)c2)[C@@H]1C ZINC000892048033 582773177 /nfs/dbraw/zinc/77/31/77/582773177.db2.gz GGYKKOYHHBRFJJ-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO C(=NNCCCn1cc[nH+]c1)[C@H]1CC=CCC1 ZINC000848420116 582777203 /nfs/dbraw/zinc/77/72/03/582777203.db2.gz PRIFIHJKGGJNHB-ZDUSSCGKSA-N 1 2 232.331 2.205 20 30 BEEDLO C#CCCCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000855902615 588853174 /nfs/dbraw/zinc/85/31/74/588853174.db2.gz LCAPKCBJIQDPMU-UHFFFAOYSA-N 1 2 241.294 2.385 20 30 BEEDLO Cc1cn2ccc(NC(=O)C#CC(C)C)cc2[nH+]1 ZINC000856288336 588867426 /nfs/dbraw/zinc/86/74/26/588867426.db2.gz RSMVKPGEAISTKY-UHFFFAOYSA-N 1 2 241.294 2.241 20 30 BEEDLO C[C@H](O)c1cccc(N2CCC(C)(C#N)CC2)[nH+]1 ZINC000893111360 583050831 /nfs/dbraw/zinc/05/08/31/583050831.db2.gz QZEIWDGHAMDVOY-NSHDSACASA-N 1 2 245.326 2.265 20 30 BEEDLO C#CC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000856824139 588879129 /nfs/dbraw/zinc/87/91/29/588879129.db2.gz AUBGMALSORSFBO-SNVBAGLBSA-N 1 2 201.260 2.423 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000893469802 583149731 /nfs/dbraw/zinc/14/97/31/583149731.db2.gz COQAMJHKHUOUFZ-UHFFFAOYSA-N 1 2 244.342 2.344 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccnc(OC)c1F ZINC000893605131 583171967 /nfs/dbraw/zinc/17/19/67/583171967.db2.gz CPPOXTVWHJIZIZ-SNVBAGLBSA-N 1 2 237.278 2.011 20 30 BEEDLO C#CC[N@@H+](Cc1c(Cl)n[nH]c1CC)C1CC1 ZINC000893611855 583173419 /nfs/dbraw/zinc/17/34/19/583173419.db2.gz LKDZTPGQXHJFNO-UHFFFAOYSA-N 1 2 237.734 2.223 20 30 BEEDLO C#CC[N@H+](Cc1c(Cl)n[nH]c1CC)C1CC1 ZINC000893611855 583173421 /nfs/dbraw/zinc/17/34/21/583173421.db2.gz LKDZTPGQXHJFNO-UHFFFAOYSA-N 1 2 237.734 2.223 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cn(C)nc1Cl ZINC000857011968 588881954 /nfs/dbraw/zinc/88/19/54/588881954.db2.gz QTPLQCQRXAHOLA-UHFFFAOYSA-N 1 2 225.723 2.248 20 30 BEEDLO C=CC[N@@H+](Cc1cn(C)nc1Cl)C1CC1 ZINC000857039551 588883655 /nfs/dbraw/zinc/88/36/55/588883655.db2.gz NVTLLAKVDMEESH-UHFFFAOYSA-N 1 2 225.723 2.224 20 30 BEEDLO C=CC[N@H+](Cc1cn(C)nc1Cl)C1CC1 ZINC000857039551 588883656 /nfs/dbraw/zinc/88/36/56/588883656.db2.gz NVTLLAKVDMEESH-UHFFFAOYSA-N 1 2 225.723 2.224 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc(F)cc(F)c1O ZINC000893923590 583247942 /nfs/dbraw/zinc/24/79/42/583247942.db2.gz NIOYGGIAWNLJQV-UHFFFAOYSA-N 1 2 240.253 2.406 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc(F)cc(F)c1O ZINC000893923590 583247943 /nfs/dbraw/zinc/24/79/43/583247943.db2.gz NIOYGGIAWNLJQV-UHFFFAOYSA-N 1 2 240.253 2.406 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc2oc(=O)oc2c1 ZINC000893924312 583249332 /nfs/dbraw/zinc/24/93/32/583249332.db2.gz QDBDOBJAFCBSJT-UHFFFAOYSA-N 1 2 246.266 2.122 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc2oc(=O)oc2c1 ZINC000893924312 583249334 /nfs/dbraw/zinc/24/93/34/583249334.db2.gz QDBDOBJAFCBSJT-UHFFFAOYSA-N 1 2 246.266 2.122 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2oc(=O)oc2c1 ZINC000894002103 583272882 /nfs/dbraw/zinc/27/28/82/583272882.db2.gz MXLBCPCGIXYGLW-SECBINFHSA-N 1 2 246.266 2.120 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2oc(=O)oc2c1 ZINC000894002103 583272884 /nfs/dbraw/zinc/27/28/84/583272884.db2.gz MXLBCPCGIXYGLW-SECBINFHSA-N 1 2 246.266 2.120 20 30 BEEDLO Cc1cnc(Cl)c(C[NH2+]CC2(C#N)CC2)c1 ZINC000894205828 583344981 /nfs/dbraw/zinc/34/49/81/583344981.db2.gz ZKZKXZHYTOUPGL-UHFFFAOYSA-N 1 2 235.718 2.437 20 30 BEEDLO COc1cccc(/C=[NH+]\CC[C@@H](C)OC)c1O ZINC000726429850 583353361 /nfs/dbraw/zinc/35/33/61/583353361.db2.gz SBLIAVSWQZQJPS-AHEVQNHNSA-N 1 2 237.299 2.245 20 30 BEEDLO Cc1ccc(C(C)N=Nc2cccnn2)c(C)[nH+]1 ZINC000814854350 583377715 /nfs/dbraw/zinc/37/77/15/583377715.db2.gz WCZNBJOLYLYNCM-UHFFFAOYSA-N 1 2 241.298 2.325 20 30 BEEDLO COc1cc(C)cc(C[NH2+]C[C@@H](C)C#N)c1OC ZINC000894453424 583462936 /nfs/dbraw/zinc/46/29/36/583462936.db2.gz UNAZPHFCRBDMSF-NSHDSACASA-N 1 2 248.326 2.262 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)[C@@H]1C ZINC000894860231 583533761 /nfs/dbraw/zinc/53/37/61/583533761.db2.gz FMNYDEOEGIRFHI-RKDXNWHRSA-N 1 2 235.718 2.447 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)[C@@H]1C ZINC000894860231 583533764 /nfs/dbraw/zinc/53/37/64/583533764.db2.gz FMNYDEOEGIRFHI-RKDXNWHRSA-N 1 2 235.718 2.447 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cnccn1 ZINC000895134109 583601500 /nfs/dbraw/zinc/60/15/00/583601500.db2.gz VPPIPLWPSCDNOJ-NSHDSACASA-N 1 2 230.315 2.211 20 30 BEEDLO C=C(C)C[C@@H](CO)Nc1cc(CC)[nH+]c(CC)n1 ZINC000895171706 583612596 /nfs/dbraw/zinc/61/25/96/583612596.db2.gz FSLTZKIPQRSZGO-LBPRGKRZSA-N 1 2 249.358 2.340 20 30 BEEDLO CC(=[NH+]Nc1ccc(C)cn1)c1csc(N)n1 ZINC000727260103 583626831 /nfs/dbraw/zinc/62/68/31/583626831.db2.gz PRKAWRZICKULFD-UHFFFAOYSA-N 1 2 247.327 2.265 20 30 BEEDLO CC(C)c1c[nH]c(CN2CC[C@](C)(C#N)C2)[nH+]1 ZINC000895334994 583652712 /nfs/dbraw/zinc/65/27/12/583652712.db2.gz MHSQLOFRTFBSKT-CYBMUJFWSA-N 1 2 232.331 2.269 20 30 BEEDLO N#CCC1C[NH+](Cc2cc(O)cc(Cl)c2)C1 ZINC000895345023 583655177 /nfs/dbraw/zinc/65/51/77/583655177.db2.gz XDMMLSOWLINPQH-UHFFFAOYSA-N 1 2 236.702 2.391 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc(O)c(F)c2)C1 ZINC000895451416 583676427 /nfs/dbraw/zinc/67/64/27/583676427.db2.gz YLHWDMGUIBBDOR-CYBMUJFWSA-N 1 2 234.274 2.267 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc(O)c(F)c2)C1 ZINC000895451416 583676430 /nfs/dbraw/zinc/67/64/30/583676430.db2.gz YLHWDMGUIBBDOR-CYBMUJFWSA-N 1 2 234.274 2.267 20 30 BEEDLO Cc1cc(C[NH+]2CC(OC(C)C)C2)ccc1C#N ZINC000895954758 583752153 /nfs/dbraw/zinc/75/21/53/583752153.db2.gz FEXKKNHQCZHTQO-UHFFFAOYSA-N 1 2 244.338 2.476 20 30 BEEDLO Cc1cc(N[C@H]2CCS[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000896248520 583786279 /nfs/dbraw/zinc/78/62/79/583786279.db2.gz LFMQLLFIJFOMSO-JQWIXIFHSA-N 1 2 247.367 2.380 20 30 BEEDLO Cc1cc(N[C@H]2CCS[C@H](C)C2)c(C#N)c[nH+]1 ZINC000896248522 583786461 /nfs/dbraw/zinc/78/64/61/583786461.db2.gz LFMQLLFIJFOMSO-PWSUYJOCSA-N 1 2 247.367 2.380 20 30 BEEDLO CCCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000142931867 583788454 /nfs/dbraw/zinc/78/84/54/583788454.db2.gz RWJLUWNSIMBFQZ-UHFFFAOYSA-N 1 2 223.320 2.039 20 30 BEEDLO Cn1ncc(C[N@@H+]2CCC[C@@H](C#N)C2)c1C1CC1 ZINC000896500436 583807149 /nfs/dbraw/zinc/80/71/49/583807149.db2.gz FBVPQQBKDBDPKX-NSHDSACASA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1ncc(C[N@H+]2CCC[C@@H](C#N)C2)c1C1CC1 ZINC000896500436 583807150 /nfs/dbraw/zinc/80/71/50/583807150.db2.gz FBVPQQBKDBDPKX-NSHDSACASA-N 1 2 244.342 2.033 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2cn3ccnc3s2)C1 ZINC000896501436 583807640 /nfs/dbraw/zinc/80/76/40/583807640.db2.gz RSTGCCHIMOGWHE-SNVBAGLBSA-N 1 2 246.339 2.131 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2cn3ccnc3s2)C1 ZINC000896501436 583807642 /nfs/dbraw/zinc/80/76/42/583807642.db2.gz RSTGCCHIMOGWHE-SNVBAGLBSA-N 1 2 246.339 2.131 20 30 BEEDLO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000896503224 583807728 /nfs/dbraw/zinc/80/77/28/583807728.db2.gz JOWSNMGQPZPHRG-LLVKDONJSA-N 1 2 246.310 2.136 20 30 BEEDLO COc1ccc(O)c(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000896503224 583807729 /nfs/dbraw/zinc/80/77/29/583807729.db2.gz JOWSNMGQPZPHRG-LLVKDONJSA-N 1 2 246.310 2.136 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2cnn3ccccc23)C1 ZINC000896505182 583808014 /nfs/dbraw/zinc/80/80/14/583808014.db2.gz ZDIICGZCFMOKQG-GFCCVEGCSA-N 1 2 240.310 2.070 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000896505182 583808015 /nfs/dbraw/zinc/80/80/15/583808015.db2.gz ZDIICGZCFMOKQG-GFCCVEGCSA-N 1 2 240.310 2.070 20 30 BEEDLO COCC[C@@H](C)C/[NH+]=C/c1ccccc1O ZINC000840711793 583879489 /nfs/dbraw/zinc/87/94/89/583879489.db2.gz SLGUODXWVBOBBE-ZTMOJVSCSA-N 1 2 221.300 2.484 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccnn1C1CCC1 ZINC000897168772 583888584 /nfs/dbraw/zinc/88/85/84/583888584.db2.gz FWOLNUFKGBGECD-UHFFFAOYSA-N 1 2 217.316 2.063 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccnn1C1CCC1 ZINC000897168772 583888585 /nfs/dbraw/zinc/88/85/85/583888585.db2.gz FWOLNUFKGBGECD-UHFFFAOYSA-N 1 2 217.316 2.063 20 30 BEEDLO C#CC[N@H+](Cc1c(Cl)c(C)nn1C)C(C)C ZINC000897171451 583888794 /nfs/dbraw/zinc/88/87/94/583888794.db2.gz ZMSAPUZFIYYMFZ-UHFFFAOYSA-N 1 2 239.750 2.226 20 30 BEEDLO C#CC[N@@H+](Cc1c(Cl)c(C)nn1C)C(C)C ZINC000897171451 583888795 /nfs/dbraw/zinc/88/87/95/583888795.db2.gz ZMSAPUZFIYYMFZ-UHFFFAOYSA-N 1 2 239.750 2.226 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111694512 583923163 /nfs/dbraw/zinc/92/31/63/583923163.db2.gz ALXLDEQMYFPQTK-UWVGGRQHSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000111694512 583923166 /nfs/dbraw/zinc/92/31/66/583923166.db2.gz ALXLDEQMYFPQTK-UWVGGRQHSA-N 1 2 203.713 2.238 20 30 BEEDLO C#C[C@@H]1CCCCN1c1cc[nH+]cc1F ZINC000897361048 583938684 /nfs/dbraw/zinc/93/86/84/583938684.db2.gz XMDHNGFTPBMKOV-SNVBAGLBSA-N 1 2 204.248 2.213 20 30 BEEDLO C1CC2(C1)CCC2N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000799885314 583969089 /nfs/dbraw/zinc/96/90/89/583969089.db2.gz UMHJNHAQLAYGGD-GHMZBOCLSA-N 1 2 246.358 2.167 20 30 BEEDLO Cc1[nH+]cnc(NCC#C[C@H]2CCCCO2)c1C ZINC000897455388 583987516 /nfs/dbraw/zinc/98/75/16/583987516.db2.gz QYOQAZIYCBHCJY-CYBMUJFWSA-N 1 2 245.326 2.078 20 30 BEEDLO CC1(C[N@@H+]2CCO[C@](C)(C#N)C2)CCCC1 ZINC000897588845 584023007 /nfs/dbraw/zinc/02/30/07/584023007.db2.gz OHIKHKJGMLRQCK-CYBMUJFWSA-N 1 2 222.332 2.181 20 30 BEEDLO CC1(C[N@H+]2CCO[C@](C)(C#N)C2)CCCC1 ZINC000897588845 584023009 /nfs/dbraw/zinc/02/30/09/584023009.db2.gz OHIKHKJGMLRQCK-CYBMUJFWSA-N 1 2 222.332 2.181 20 30 BEEDLO CC1(C[N@@H+]2CCO[C@@](C)(C#N)C2)CCCC1 ZINC000897588846 584023334 /nfs/dbraw/zinc/02/33/34/584023334.db2.gz OHIKHKJGMLRQCK-ZDUSSCGKSA-N 1 2 222.332 2.181 20 30 BEEDLO CC1(C[N@H+]2CCO[C@@](C)(C#N)C2)CCCC1 ZINC000897588846 584023335 /nfs/dbraw/zinc/02/33/35/584023335.db2.gz OHIKHKJGMLRQCK-ZDUSSCGKSA-N 1 2 222.332 2.181 20 30 BEEDLO C=C1CCC(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000898811106 584159958 /nfs/dbraw/zinc/15/99/58/584159958.db2.gz RGOLLRZDYKEAOU-GFCCVEGCSA-N 1 2 245.326 2.191 20 30 BEEDLO CCn1c[nH+]c(/C=C/C(=O)c2nccn2CC)c1 ZINC000899390084 584209113 /nfs/dbraw/zinc/20/91/13/584209113.db2.gz RZYZECAJYZSUPL-AATRIKPKSA-N 1 2 244.298 2.016 20 30 BEEDLO C=C1C[NH+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000899900266 584249795 /nfs/dbraw/zinc/24/97/95/584249795.db2.gz NKHFIVSFOAVINK-ZDUSSCGKSA-N 1 2 237.730 2.115 20 30 BEEDLO C=C(C)CN(CC)C(=O)c1ccc(C)[nH+]c1NC ZINC000900168601 584281869 /nfs/dbraw/zinc/28/18/69/584281869.db2.gz HLVNYOMLIZKIHS-UHFFFAOYSA-N 1 2 247.342 2.470 20 30 BEEDLO C#CC[C@@H](CCOC)Nc1cc[nH+]c(C(C)C)n1 ZINC000858856638 588979168 /nfs/dbraw/zinc/97/91/68/588979168.db2.gz GMJBPGKUTDSKNW-LBPRGKRZSA-N 1 2 247.342 2.440 20 30 BEEDLO C#CC[C@H](COC)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000858860896 588979856 /nfs/dbraw/zinc/97/98/56/588979856.db2.gz VNQONZBTIMBSHW-LLVKDONJSA-N 1 2 247.342 2.224 20 30 BEEDLO CC(C)CCC=[NH+]n1nnc2c1CCCC2 ZINC000901328447 584423724 /nfs/dbraw/zinc/42/37/24/584423724.db2.gz DGXNMKUAXHMUIQ-UHFFFAOYSA-N 1 2 220.320 2.427 20 30 BEEDLO C(CCC1CC1)=[NH+]n1nnc2c1CCCC2 ZINC000901331706 584425372 /nfs/dbraw/zinc/42/53/72/584425372.db2.gz UNTKKCAZOKWWPM-UHFFFAOYSA-N 1 2 218.304 2.181 20 30 BEEDLO C=CCN(C(=O)c1ccc(C)[nH+]c1NC)C1CC1 ZINC000901314862 584428730 /nfs/dbraw/zinc/42/87/30/584428730.db2.gz MHONTKKKOMQTCS-UHFFFAOYSA-N 1 2 245.326 2.222 20 30 BEEDLO CC(C)n1cc(C(=O)/C=C/c2c[nH+]cn2C)cn1 ZINC000901466539 584451439 /nfs/dbraw/zinc/45/14/39/584451439.db2.gz LAJMQUJBOJGTJS-SNAWJCMRSA-N 1 2 244.298 2.094 20 30 BEEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ncco1 ZINC000901514699 584461722 /nfs/dbraw/zinc/46/17/22/584461722.db2.gz IJEKDONFBHTHOR-ONEGZZNKSA-N 1 2 231.255 2.348 20 30 BEEDLO CCn1ccnc1C(=O)/C=C/c1[nH]c(C)c(C)[nH+]1 ZINC000901556418 584462563 /nfs/dbraw/zinc/46/25/63/584462563.db2.gz GKCASDVJUTUCGV-AATRIKPKSA-N 1 2 244.298 2.139 20 30 BEEDLO CN(C)c1ccc(CON=CC2CC2)c[nH+]1 ZINC000902533361 584634028 /nfs/dbraw/zinc/63/40/28/584634028.db2.gz ZIEKINUKSZXKKM-UHFFFAOYSA-N 1 2 219.288 2.060 20 30 BEEDLO C[C@H]([NH2+]Cc1nccs1)c1cc(C#N)ccn1 ZINC000902758901 584665815 /nfs/dbraw/zinc/66/58/15/584665815.db2.gz KWOCSSKQUVAJIA-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO COC(=O)c1coc([C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000903105901 584728088 /nfs/dbraw/zinc/72/80/88/584728088.db2.gz IJYGICWRIBPQLN-VIFPVBQESA-N 1 2 248.282 2.021 20 30 BEEDLO C=C[C@@H](CC)Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000904033800 584838326 /nfs/dbraw/zinc/83/83/26/584838326.db2.gz PWEIHNWLZHBRRH-JTQLQIEISA-N 1 2 246.314 2.149 20 30 BEEDLO O=C1c2cccc(F)c2OC/C1=C/c1[nH]cc[nH+]1 ZINC000731158503 584923043 /nfs/dbraw/zinc/92/30/43/584923043.db2.gz BQCNLKZACBBZHQ-VURMDHGXSA-N 1 2 244.225 2.208 20 30 BEEDLO Cc1ccc(C(C)N=Nc2cncnc2)c(C)[nH+]1 ZINC000814927004 584947350 /nfs/dbraw/zinc/94/73/50/584947350.db2.gz STSTUPUFCOUGAY-UHFFFAOYSA-N 1 2 241.298 2.325 20 30 BEEDLO C#CC[C@@H]([NH2+]CC(C(C)C)C(C)C)C(=O)OC ZINC000839167360 585095550 /nfs/dbraw/zinc/09/55/50/585095550.db2.gz FMBWTLCCTSMNQG-CYBMUJFWSA-N 1 2 239.359 2.069 20 30 BEEDLO C#CC[C@@H]([NH2+]C1CCC(C)(C)CC1)C(=O)OC ZINC000839168642 585095593 /nfs/dbraw/zinc/09/55/93/585095593.db2.gz MEHBVZWUMSZKIJ-GFCCVEGCSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H]1CCCC12CCCC2)C(=O)OC ZINC000839169344 585095908 /nfs/dbraw/zinc/09/59/08/585095908.db2.gz RMWZLROGZFWZOD-QWHCGFSZSA-N 1 2 249.354 2.254 20 30 BEEDLO C#CC[C@H]([NH2+]CCC1CCCCC1)C(=O)OC ZINC000839170287 585095958 /nfs/dbraw/zinc/09/59/58/585095958.db2.gz YHJQEXYERQFWTJ-ZDUSSCGKSA-N 1 2 237.343 2.111 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000839186611 585096961 /nfs/dbraw/zinc/09/69/61/585096961.db2.gz LXNLIEKFJCGCCL-HNNXBMFYSA-N 1 2 241.334 2.398 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccccc1C1CC1 ZINC000839186611 585096962 /nfs/dbraw/zinc/09/69/62/585096962.db2.gz LXNLIEKFJCGCCL-HNNXBMFYSA-N 1 2 241.334 2.398 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CCc1ccc(Cl)cc1 ZINC000839189015 585096982 /nfs/dbraw/zinc/09/69/82/585096982.db2.gz MYYYUMMOYVBJMW-CQSZACIVSA-N 1 2 249.741 2.217 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CCc1ccc(Cl)cc1 ZINC000839189015 585096983 /nfs/dbraw/zinc/09/69/83/585096983.db2.gz MYYYUMMOYVBJMW-CQSZACIVSA-N 1 2 249.741 2.217 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc(C)c1C ZINC000839187039 585097075 /nfs/dbraw/zinc/09/70/75/585097075.db2.gz ZPVNYEQGGBFYKP-HNNXBMFYSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc(C)c1C ZINC000839187039 585097076 /nfs/dbraw/zinc/09/70/76/585097076.db2.gz ZPVNYEQGGBFYKP-HNNXBMFYSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc(C)cc1C ZINC000839186961 585097128 /nfs/dbraw/zinc/09/71/28/585097128.db2.gz WMLNSLPEYSMKQI-HNNXBMFYSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc(C)cc1C ZINC000839186961 585097129 /nfs/dbraw/zinc/09/71/29/585097129.db2.gz WMLNSLPEYSMKQI-HNNXBMFYSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1C[C@H](C)c1ccc(F)cc1 ZINC000839189857 585097187 /nfs/dbraw/zinc/09/71/87/585097187.db2.gz YKYXAPJZXAMRMJ-WFASDCNBSA-N 1 2 247.313 2.263 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](C)c1ccc(F)cc1 ZINC000839189857 585097188 /nfs/dbraw/zinc/09/71/88/585097188.db2.gz YKYXAPJZXAMRMJ-WFASDCNBSA-N 1 2 247.313 2.263 20 30 BEEDLO C=C(Cl)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000741147917 585110338 /nfs/dbraw/zinc/11/03/38/585110338.db2.gz DYKOEOXWBWCFAS-JTQLQIEISA-N 1 2 231.723 2.157 20 30 BEEDLO C=C(Cl)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000741147917 585110339 /nfs/dbraw/zinc/11/03/39/585110339.db2.gz DYKOEOXWBWCFAS-JTQLQIEISA-N 1 2 231.723 2.157 20 30 BEEDLO Oc1ccccc1/C=[NH+]\CCOC1CCC1 ZINC000743044596 585133665 /nfs/dbraw/zinc/13/36/65/585133665.db2.gz MPJLSIVJIGUQBT-UVTDQMKNSA-N 1 2 219.284 2.380 20 30 BEEDLO C#CCOC(=O)CCC[NH2+]c1ccc(OC)cc1 ZINC000745059767 585155913 /nfs/dbraw/zinc/15/59/13/585155913.db2.gz LWDUXSWLZGJXKP-UHFFFAOYSA-N 1 2 247.294 2.064 20 30 BEEDLO C=CC[N@@H+](Cc1nc([C@H](C)OC)no1)C(C)C ZINC000747525073 585180195 /nfs/dbraw/zinc/18/01/95/585180195.db2.gz XWOFEAFXYQZDTG-JTQLQIEISA-N 1 2 239.319 2.173 20 30 BEEDLO C=CC[N@H+](Cc1nc([C@H](C)OC)no1)C(C)C ZINC000747525073 585180196 /nfs/dbraw/zinc/18/01/96/585180196.db2.gz XWOFEAFXYQZDTG-JTQLQIEISA-N 1 2 239.319 2.173 20 30 BEEDLO O=C1c2cc(F)ccc2C/C1=C/c1[nH]cc[nH+]1 ZINC000749005785 585198083 /nfs/dbraw/zinc/19/80/83/585198083.db2.gz ZLMPNUZTYLLWEV-TWGQIWQCSA-N 1 2 228.226 2.371 20 30 BEEDLO C[C@@H]1COCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000749509218 585203246 /nfs/dbraw/zinc/20/32/46/585203246.db2.gz FZMOKGDHHRQXNT-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1COCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000749509218 585203247 /nfs/dbraw/zinc/20/32/47/585203247.db2.gz FZMOKGDHHRQXNT-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO CC1(O)CCC(/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000749844026 585207178 /nfs/dbraw/zinc/20/71/78/585207178.db2.gz GGQLDCZUUSCZIA-OQLLNIDSSA-N 1 2 249.310 2.210 20 30 BEEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccoc2)C1 ZINC000753586065 585262884 /nfs/dbraw/zinc/26/28/84/585262884.db2.gz FJBIIMVPMQVOIG-GFCCVEGCSA-N 1 2 204.273 2.405 20 30 BEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccoc2)C1 ZINC000753586065 585262885 /nfs/dbraw/zinc/26/28/85/585262885.db2.gz FJBIIMVPMQVOIG-GFCCVEGCSA-N 1 2 204.273 2.405 20 30 BEEDLO C1CC2(C1)CC(N=NC1=[NH+][C@H]3CCCC[C@H]3N1)C2 ZINC000753928816 585272302 /nfs/dbraw/zinc/27/23/02/585272302.db2.gz MYQNUUMSBSTOAV-TXEJJXNPSA-N 1 2 246.358 2.167 20 30 BEEDLO C[C@@H]1CCCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753936317 585272465 /nfs/dbraw/zinc/27/24/65/585272465.db2.gz RSMDGWZSXIYZAR-USWWRNFRSA-N 1 2 234.347 2.022 20 30 BEEDLO C[C@@H]1CCCC(N=NC2=[NH+][C@@H]3CCCC[C@@H]3N2)C1 ZINC000753935389 585272549 /nfs/dbraw/zinc/27/25/49/585272549.db2.gz ODZNDVWVERPQHI-RTXFEEFZSA-N 1 2 248.374 2.413 20 30 BEEDLO CC1(C)CCCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753934784 585272564 /nfs/dbraw/zinc/27/25/64/585272564.db2.gz KLZWPQFMIWDCQR-QWRGUYRKSA-N 1 2 248.374 2.413 20 30 BEEDLO C#CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000753984289 585274224 /nfs/dbraw/zinc/27/42/24/585274224.db2.gz AMGXRLDBVWBWGS-UHFFFAOYSA-N 1 2 238.246 2.446 20 30 BEEDLO Cc1[nH+]c[nH]c1CN=Nc1ccccc1[N+](=O)[O-] ZINC000755466331 585300383 /nfs/dbraw/zinc/30/03/83/585300383.db2.gz ZLIIITYSOZUGHL-UHFFFAOYSA-N 1 2 245.242 2.072 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNc1cccc([N+](=O)[O-])c1 ZINC000755480439 585300519 /nfs/dbraw/zinc/30/05/19/585300519.db2.gz DJUZESZNDHFEKW-UHFFFAOYSA-N 1 2 245.242 2.072 20 30 BEEDLO c1[nH+]c2ccccn2c1CN=Nc1ccccn1 ZINC000755520294 585301120 /nfs/dbraw/zinc/30/11/20/585301120.db2.gz VXEQTLMGGIWCST-UHFFFAOYSA-N 1 2 237.266 2.175 20 30 BEEDLO c1cc2c(ccnc2N=NCc2c[nH+]c[nH]2)s1 ZINC000755651685 585303390 /nfs/dbraw/zinc/30/33/90/585303390.db2.gz XMMOLXLRXFDCEK-UHFFFAOYSA-N 1 2 243.295 2.465 20 30 BEEDLO c1cc2c(ccnc2N=NCc2c[nH]c[nH+]2)s1 ZINC000755651685 585303391 /nfs/dbraw/zinc/30/33/91/585303391.db2.gz XMMOLXLRXFDCEK-UHFFFAOYSA-N 1 2 243.295 2.465 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](CO)c1ccccc1OC ZINC000839548965 585330158 /nfs/dbraw/zinc/33/01/58/585330158.db2.gz UQCVAXPDWYYTMA-NSHDSACASA-N 1 2 241.718 2.071 20 30 BEEDLO C=C(Cl)C[N@@H+](CCCO)Cc1ccccn1 ZINC000839589799 585331414 /nfs/dbraw/zinc/33/14/14/585331414.db2.gz NTSCCVAFNORLQO-UHFFFAOYSA-N 1 2 240.734 2.019 20 30 BEEDLO C=C(Cl)C[N@H+](CCCO)Cc1ccccn1 ZINC000839589799 585331415 /nfs/dbraw/zinc/33/14/15/585331415.db2.gz NTSCCVAFNORLQO-UHFFFAOYSA-N 1 2 240.734 2.019 20 30 BEEDLO C#CCCCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000758474189 585356341 /nfs/dbraw/zinc/35/63/41/585356341.db2.gz MXARLNORGJQFRA-UHFFFAOYSA-N 1 2 228.299 2.433 20 30 BEEDLO COCCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000758763326 585359759 /nfs/dbraw/zinc/35/97/59/585359759.db2.gz IIMSNLDUVKPTIO-UHFFFAOYSA-N 1 2 242.706 2.013 20 30 BEEDLO C#CCC[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC000760858855 585400201 /nfs/dbraw/zinc/40/02/01/585400201.db2.gz CJYKWPFNPXSNDC-UHFFFAOYSA-N 1 2 237.343 2.111 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1ccc(O)cc1F ZINC000790301897 585402974 /nfs/dbraw/zinc/40/29/74/585402974.db2.gz KJJVROBLCCPBJM-UHFFFAOYSA-N 1 2 248.261 2.101 20 30 BEEDLO CC(C)(C)CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761855941 585420517 /nfs/dbraw/zinc/42/05/17/585420517.db2.gz VWZLEGLMLFGFOZ-UHFFFAOYSA-N 1 2 244.302 2.106 20 30 BEEDLO NC(=[NH+]OCC1CC1)c1ccc(Cl)cc1 ZINC000763171100 585443952 /nfs/dbraw/zinc/44/39/52/585443952.db2.gz BUJFLWHTGNIPAE-UHFFFAOYSA-N 1 2 224.691 2.387 20 30 BEEDLO C#CC[N@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC000764677738 585470544 /nfs/dbraw/zinc/47/05/44/585470544.db2.gz STGDCYNAWCHPES-UHFFFAOYSA-N 1 2 216.284 2.150 20 30 BEEDLO C#CC[N@@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC000764677738 585470545 /nfs/dbraw/zinc/47/05/45/585470545.db2.gz STGDCYNAWCHPES-UHFFFAOYSA-N 1 2 216.284 2.150 20 30 BEEDLO C#CCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766407515 585501943 /nfs/dbraw/zinc/50/19/43/585501943.db2.gz ORMGDFOHOUNMKG-UHFFFAOYSA-N 1 2 243.314 2.017 20 30 BEEDLO CON=C(C)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000767491266 585521055 /nfs/dbraw/zinc/52/10/55/585521055.db2.gz SFJWZIVILZLHLD-CQSZACIVSA-N 1 2 248.326 2.082 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000767699123 585525009 /nfs/dbraw/zinc/52/50/09/585525009.db2.gz YDPPBMLLUIJMRZ-LLVKDONJSA-N 1 2 222.288 2.029 20 30 BEEDLO CC[N@@H+](Cc1c(O)cccc1OC)C[C@@H](C)C#N ZINC000768881549 585545467 /nfs/dbraw/zinc/54/54/67/585545467.db2.gz PPNZJYXMZLCWGR-NSHDSACASA-N 1 2 248.326 2.382 20 30 BEEDLO CC[N@H+](Cc1c(O)cccc1OC)C[C@@H](C)C#N ZINC000768881549 585545468 /nfs/dbraw/zinc/54/54/68/585545468.db2.gz PPNZJYXMZLCWGR-NSHDSACASA-N 1 2 248.326 2.382 20 30 BEEDLO C#CCCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000769892298 585566315 /nfs/dbraw/zinc/56/63/15/585566315.db2.gz IKSCSJFPYPGIJL-GFCCVEGCSA-N 1 2 204.317 2.414 20 30 BEEDLO C#CCCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000769892298 585566316 /nfs/dbraw/zinc/56/63/16/585566316.db2.gz IKSCSJFPYPGIJL-GFCCVEGCSA-N 1 2 204.317 2.414 20 30 BEEDLO C=CCCOCC(=O)OCc1ccc(C)[nH+]c1C ZINC000772053805 585607633 /nfs/dbraw/zinc/60/76/33/585607633.db2.gz YWWFZCFPIBLSGS-UHFFFAOYSA-N 1 2 249.310 2.334 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1O ZINC000775184052 585673109 /nfs/dbraw/zinc/67/31/09/585673109.db2.gz UJEOPLGVPJSARZ-SECBINFHSA-N 1 2 223.703 2.499 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000775184052 585673110 /nfs/dbraw/zinc/67/31/10/585673110.db2.gz UJEOPLGVPJSARZ-SECBINFHSA-N 1 2 223.703 2.499 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc2c(s1)CCC2 ZINC000775660633 585682264 /nfs/dbraw/zinc/68/22/64/585682264.db2.gz GGFGYYWDVRTOPJ-UHFFFAOYSA-N 1 2 220.341 2.087 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc2c(s1)CCC2 ZINC000775660633 585682265 /nfs/dbraw/zinc/68/22/65/585682265.db2.gz GGFGYYWDVRTOPJ-UHFFFAOYSA-N 1 2 220.341 2.087 20 30 BEEDLO Cc1cc[nH+]cc1CCC=NNC1CCOCC1 ZINC000776726589 585703580 /nfs/dbraw/zinc/70/35/80/585703580.db2.gz QXSWGWBJMWGHOS-UHFFFAOYSA-N 1 2 247.342 2.077 20 30 BEEDLO Cc1cc[nH+]cc1CCCN=Nc1cnccn1 ZINC000776724344 585703584 /nfs/dbraw/zinc/70/35/84/585703584.db2.gz RDKGBKYJHXNRJQ-UHFFFAOYSA-N 1 2 241.298 2.211 20 30 BEEDLO COc1cc(C)[nH+]c(CN=Nc2ccccn2)c1 ZINC000776759682 585704940 /nfs/dbraw/zinc/70/49/40/585704940.db2.gz VBFQZSSXXWWZDH-UHFFFAOYSA-N 1 2 242.282 2.240 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1ccc(F)nc1 ZINC000779154394 585746032 /nfs/dbraw/zinc/74/60/32/585746032.db2.gz UQVGZKDHPOKKNL-UHFFFAOYSA-N 1 2 221.279 2.345 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(F)nc1 ZINC000779154394 585746033 /nfs/dbraw/zinc/74/60/33/585746033.db2.gz UQVGZKDHPOKKNL-UHFFFAOYSA-N 1 2 221.279 2.345 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(F)nc1)C1CC1 ZINC000779164406 585746423 /nfs/dbraw/zinc/74/64/23/585746423.db2.gz PUMUJUOYAGKECE-JTQLQIEISA-N 1 2 233.290 2.345 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(F)nc1)C1CC1 ZINC000779164406 585746424 /nfs/dbraw/zinc/74/64/24/585746424.db2.gz PUMUJUOYAGKECE-JTQLQIEISA-N 1 2 233.290 2.345 20 30 BEEDLO C#CCCCCCC(=O)Nc1cc[nH+]cc1C ZINC000779927249 585770023 /nfs/dbraw/zinc/77/00/23/585770023.db2.gz YXPMPMKLNZHOOY-UHFFFAOYSA-N 1 2 230.311 2.334 20 30 BEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccnc(Cl)c1 ZINC000782195208 585811912 /nfs/dbraw/zinc/81/19/12/585811912.db2.gz ULSYWRBVWCDCNM-OWOJBTEDSA-N 1 2 233.658 2.354 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)OCCCC ZINC000785996585 585885023 /nfs/dbraw/zinc/88/50/23/585885023.db2.gz FJIRBVDYQDKHEI-GFCCVEGCSA-N 1 2 225.332 2.370 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)OCCCC ZINC000785996585 585885024 /nfs/dbraw/zinc/88/50/24/585885024.db2.gz FJIRBVDYQDKHEI-GFCCVEGCSA-N 1 2 225.332 2.370 20 30 BEEDLO C=CCC[N@@H+](C)Cn1ncn(C2CC2)c1=S ZINC000786100594 585887221 /nfs/dbraw/zinc/88/72/21/585887221.db2.gz CHHFVPWSARXLGY-UHFFFAOYSA-N 1 2 238.360 2.214 20 30 BEEDLO C=CCC[N@H+](C)Cn1ncn(C2CC2)c1=S ZINC000786100594 585887222 /nfs/dbraw/zinc/88/72/22/585887222.db2.gz CHHFVPWSARXLGY-UHFFFAOYSA-N 1 2 238.360 2.214 20 30 BEEDLO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](F)(C#N)C2)CCO1 ZINC000786579345 585895193 /nfs/dbraw/zinc/89/51/93/585895193.db2.gz PLDNMPUTGDYKHI-YNEHKIRRSA-N 1 2 240.322 2.129 20 30 BEEDLO CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@](F)(C#N)C2)CCO1 ZINC000786579345 585895194 /nfs/dbraw/zinc/89/51/94/585895194.db2.gz PLDNMPUTGDYKHI-YNEHKIRRSA-N 1 2 240.322 2.129 20 30 BEEDLO C=CC[N@@H+](C)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000787233431 585903482 /nfs/dbraw/zinc/90/34/82/585903482.db2.gz CZCGRHUAWNDMJZ-GFCCVEGCSA-N 1 2 238.375 2.346 20 30 BEEDLO C=CC[N@H+](C)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000787233431 585903483 /nfs/dbraw/zinc/90/34/83/585903483.db2.gz CZCGRHUAWNDMJZ-GFCCVEGCSA-N 1 2 238.375 2.346 20 30 BEEDLO C=CC[N@@H+](Cc1ncnn1C(C)C)C(C)C ZINC000789283892 585938643 /nfs/dbraw/zinc/93/86/43/585938643.db2.gz CVERXSDTCCHXQY-UHFFFAOYSA-N 1 2 222.336 2.255 20 30 BEEDLO C=CC[N@H+](Cc1ncnn1C(C)C)C(C)C ZINC000789283892 585938644 /nfs/dbraw/zinc/93/86/44/585938644.db2.gz CVERXSDTCCHXQY-UHFFFAOYSA-N 1 2 222.336 2.255 20 30 BEEDLO Cc1ccc2c(c1)CCC2=NNc1[nH+]ccn1C ZINC000790299620 585962548 /nfs/dbraw/zinc/96/25/48/585962548.db2.gz GHYJTPIJOMYLKO-UHFFFAOYSA-N 1 2 240.310 2.491 20 30 BEEDLO Cc1cc(C=NNc2[nH+]ccn2C)cc(Cl)n1 ZINC000790300375 585962570 /nfs/dbraw/zinc/96/25/70/585962570.db2.gz WBWOMZDOXCRHKC-UHFFFAOYSA-N 1 2 249.705 2.223 20 30 BEEDLO Cc1ccc(C=NNc2[nH+]ccn2C)cc1F ZINC000790299643 585962888 /nfs/dbraw/zinc/96/28/88/585962888.db2.gz GZCBXDHRVKWJDR-UHFFFAOYSA-N 1 2 232.262 2.314 20 30 BEEDLO COc1cc(C=NNc2[nH+]ccn2C)ccc1C ZINC000790302711 585962929 /nfs/dbraw/zinc/96/29/29/585962929.db2.gz XNPSGZWAFGKCEF-UHFFFAOYSA-N 1 2 244.298 2.183 20 30 BEEDLO C#C[C@H](CCC)[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000790546614 585966172 /nfs/dbraw/zinc/96/61/72/585966172.db2.gz MJCZFMUKDLDOCE-CHWSQXEVSA-N 1 2 239.359 2.356 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792169307 585996985 /nfs/dbraw/zinc/99/69/85/585996985.db2.gz GEJIRPIWTKKAIT-ZDUSSCGKSA-N 1 2 234.299 2.309 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ncccc1Cl ZINC000859280127 589027217 /nfs/dbraw/zinc/02/72/17/589027217.db2.gz GFUPJOHTYQWCQW-VIFPVBQESA-N 1 2 208.692 2.189 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ncccc1Cl ZINC000859280127 589027218 /nfs/dbraw/zinc/02/72/18/589027218.db2.gz GFUPJOHTYQWCQW-VIFPVBQESA-N 1 2 208.692 2.189 20 30 BEEDLO Cn1c[nH+]c(CN=Nc2c(F)cccc2F)c1 ZINC000794513962 586041080 /nfs/dbraw/zinc/04/10/80/586041080.db2.gz DPIMYFQLBHSVCC-UHFFFAOYSA-N 1 2 236.225 2.144 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1ncc(C)s1 ZINC000794578662 586045050 /nfs/dbraw/zinc/04/50/50/586045050.db2.gz GMKHHQMDLPHMPU-UHFFFAOYSA-N 1 2 208.330 2.295 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1ncc(C)s1 ZINC000794578662 586045051 /nfs/dbraw/zinc/04/50/51/586045051.db2.gz GMKHHQMDLPHMPU-UHFFFAOYSA-N 1 2 208.330 2.295 20 30 BEEDLO COCCCON=CCCc1c[nH+]ccc1C ZINC000795051321 586065331 /nfs/dbraw/zinc/06/53/31/586065331.db2.gz OMDVQCGZXMRZOX-UHFFFAOYSA-N 1 2 236.315 2.362 20 30 BEEDLO COCCCON=Cc1c[nH+]c2ccc(C)cn12 ZINC000795042006 586066724 /nfs/dbraw/zinc/06/67/24/586066724.db2.gz LKUYCZDMMFTIKK-UHFFFAOYSA-N 1 2 247.298 2.030 20 30 BEEDLO C=CCC(C)(C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000797187233 586122474 /nfs/dbraw/zinc/12/24/74/586122474.db2.gz RXYKJGJZQOETOR-NSHDSACASA-N 1 2 243.322 2.176 20 30 BEEDLO C=CCC(C)(C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000797187233 586122475 /nfs/dbraw/zinc/12/24/75/586122475.db2.gz RXYKJGJZQOETOR-NSHDSACASA-N 1 2 243.322 2.176 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000800349921 586213024 /nfs/dbraw/zinc/21/30/24/586213024.db2.gz XVBZVMXSYAJEPP-KBPBESRZSA-N 1 2 245.322 2.031 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000800349921 586213026 /nfs/dbraw/zinc/21/30/26/586213026.db2.gz XVBZVMXSYAJEPP-KBPBESRZSA-N 1 2 245.322 2.031 20 30 BEEDLO C=C[C@@H](Nc1ccc([NH+](C)C)cc1C)C(=O)OC ZINC000800721541 586227572 /nfs/dbraw/zinc/22/75/72/586227572.db2.gz UBJVLYDZSNDFDB-GFCCVEGCSA-N 1 2 248.326 2.201 20 30 BEEDLO Cc1ccc(C(=O)/C=C/c2cn(C)c[nH+]2)c(O)c1 ZINC000800794794 586228767 /nfs/dbraw/zinc/22/87/67/586228767.db2.gz QGZNMPLWCPWRNM-GQCTYLIASA-N 1 2 242.278 2.330 20 30 BEEDLO Cn1c[nH+]c(/C=C2\Cc3cc(F)ccc3C2=O)c1 ZINC000800793155 586229433 /nfs/dbraw/zinc/22/94/33/586229433.db2.gz HYEGUTVJBJVFQJ-UXBLZVDNSA-N 1 2 242.253 2.382 20 30 BEEDLO CC(=NNCCC(C)(C)C)c1cn(C)c(C)[nH+]1 ZINC000800815523 586231988 /nfs/dbraw/zinc/23/19/88/586231988.db2.gz CGMXFCARPKHEAQ-UHFFFAOYSA-N 1 2 236.363 2.478 20 30 BEEDLO CC(=NOC1CCCC1)c1cn(C)c(C)[nH+]1 ZINC000800815061 586232412 /nfs/dbraw/zinc/23/24/12/586232412.db2.gz KKTLCFJTPCUSJG-UHFFFAOYSA-N 1 2 221.304 2.412 20 30 BEEDLO COc1cncc(C[N@H+](CCC#N)C(C)C)c1 ZINC000808733662 586485793 /nfs/dbraw/zinc/48/57/93/586485793.db2.gz WTEBWBNLVMJRMK-UHFFFAOYSA-N 1 2 233.315 2.214 20 30 BEEDLO COc1cncc(C[N@@H+](CCC#N)C(C)C)c1 ZINC000808733662 586485794 /nfs/dbraw/zinc/48/57/94/586485794.db2.gz WTEBWBNLVMJRMK-UHFFFAOYSA-N 1 2 233.315 2.214 20 30 BEEDLO C#Cc1ccc(C[NH2+]Cc2ncc(C)o2)cc1 ZINC000809649103 586510809 /nfs/dbraw/zinc/51/08/09/586510809.db2.gz SLAZDTBXJSTXGR-UHFFFAOYSA-N 1 2 226.279 2.254 20 30 BEEDLO Cn1c[nH+]c(/C=C2\Cc3ccc(C#N)cc3C2=O)c1 ZINC000811695216 586565839 /nfs/dbraw/zinc/56/58/39/586565839.db2.gz AKBANKIYWHNEPQ-WUXMJOGZSA-N 1 2 249.273 2.114 20 30 BEEDLO CC(=NOC1CCC1)c1cn(C)c(C)[nH+]1 ZINC000812235276 586571458 /nfs/dbraw/zinc/57/14/58/586571458.db2.gz RAPURWFZBZONKO-UHFFFAOYSA-N 1 2 207.277 2.022 20 30 BEEDLO C#C[C@H]([NH2+]Cc1cn[nH]c1)c1ccc(F)cc1 ZINC000812793381 586585487 /nfs/dbraw/zinc/58/54/87/586585487.db2.gz RLBLPXZMLPFKAI-ZDUSSCGKSA-N 1 2 229.258 2.013 20 30 BEEDLO C#CCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000812897908 586588503 /nfs/dbraw/zinc/58/85/03/586588503.db2.gz RDGMIOFVDFBEBL-UHFFFAOYSA-N 1 2 224.307 2.480 20 30 BEEDLO C#CCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000812897908 586588504 /nfs/dbraw/zinc/58/85/04/586588504.db2.gz RDGMIOFVDFBEBL-UHFFFAOYSA-N 1 2 224.307 2.480 20 30 BEEDLO Cc1ccc(C(C)N=Nc2ncccn2)c(C)[nH+]1 ZINC000814797319 586634916 /nfs/dbraw/zinc/63/49/16/586634916.db2.gz FYEASMJTHFLFPU-UHFFFAOYSA-N 1 2 241.298 2.325 20 30 BEEDLO CC(=[NH+]Nc1ncccc1C)c1ccc(N)nc1 ZINC000814911517 586649364 /nfs/dbraw/zinc/64/93/64/586649364.db2.gz LYSVHOFPZSYQLM-UHFFFAOYSA-N 1 2 241.298 2.203 20 30 BEEDLO Cc1sccc1C=NNc1[nH+]ccn1C ZINC000814918433 586650583 /nfs/dbraw/zinc/65/05/83/586650583.db2.gz PXTTUBWYKQKDQT-UHFFFAOYSA-N 1 2 220.301 2.236 20 30 BEEDLO COCCCO[NH+]=C(C)c1cc(N)ccc1F ZINC000814931786 586653580 /nfs/dbraw/zinc/65/35/80/586653580.db2.gz RBJFYWQTIJSEHK-UHFFFAOYSA-N 1 2 240.278 2.185 20 30 BEEDLO CC[C@H](C)CO[NH+]=C1CCCc2nc(N)ncc21 ZINC000814939491 586655414 /nfs/dbraw/zinc/65/54/14/586655414.db2.gz SBHHUVSQBFYTMH-VIFPVBQESA-N 1 2 248.330 2.162 20 30 BEEDLO CC#CC[N@H+](C)Cc1cccnc1Cl ZINC000815280105 586676477 /nfs/dbraw/zinc/67/64/77/586676477.db2.gz VXMNKWUGBQYJRS-UHFFFAOYSA-N 1 2 208.692 2.190 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cccnc1Cl ZINC000815280105 586676478 /nfs/dbraw/zinc/67/64/78/586676478.db2.gz VXMNKWUGBQYJRS-UHFFFAOYSA-N 1 2 208.692 2.190 20 30 BEEDLO CC#CC[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000815284380 586677335 /nfs/dbraw/zinc/67/73/35/586677335.db2.gz QODVIVROPGEUFI-UHFFFAOYSA-N 1 2 206.289 2.253 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000815284380 586677336 /nfs/dbraw/zinc/67/73/36/586677336.db2.gz QODVIVROPGEUFI-UHFFFAOYSA-N 1 2 206.289 2.253 20 30 BEEDLO Oc1cccc(/C=[NH+]/CCCC2(O)CCC2)c1O ZINC000817708427 586818736 /nfs/dbraw/zinc/81/87/36/586818736.db2.gz XNVYPHFOSYKPQQ-XNTDXEJSSA-N 1 2 249.310 2.212 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccns1 ZINC000860061427 589077607 /nfs/dbraw/zinc/07/76/07/589077607.db2.gz KGVXFJXSHIVIFO-SECBINFHSA-N 1 2 221.329 2.488 20 30 BEEDLO CC(C)n1c[nH+]cc1CN=Nc1ccccn1 ZINC000819806452 586996214 /nfs/dbraw/zinc/99/62/14/586996214.db2.gz QAVLJISDOGSMKG-UHFFFAOYSA-N 1 2 229.287 2.305 20 30 BEEDLO C=C[C@@H](CC)CC(=O)NCc1c[nH+]ccc1OC ZINC000820415188 587047030 /nfs/dbraw/zinc/04/70/30/587047030.db2.gz KQCWIYJJLHOKGQ-NSHDSACASA-N 1 2 248.326 2.309 20 30 BEEDLO N#Cc1ccc(/C=C\c2ccc(N)[nH+]c2)nc1 ZINC000821038299 587090347 /nfs/dbraw/zinc/09/03/47/587090347.db2.gz HJUJVIXASWPINB-RJRFIUFISA-N 1 2 222.251 2.101 20 30 BEEDLO C=CCCC(=O)OCCc1cn2ccccc2[nH+]1 ZINC000821594712 587131740 /nfs/dbraw/zinc/13/17/40/587131740.db2.gz ZUSHBETWSKMNMK-UHFFFAOYSA-N 1 2 244.294 2.386 20 30 BEEDLO C=C[C@@H](CC)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000825514194 587322674 /nfs/dbraw/zinc/32/26/74/587322674.db2.gz YVMFZLUMOXBUEE-QWRGUYRKSA-N 1 2 233.315 2.046 20 30 BEEDLO C=C1CCC(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000830994740 587580996 /nfs/dbraw/zinc/58/09/96/587580996.db2.gz RBNCYSRFVXCYAJ-UHFFFAOYSA-N 1 2 247.342 2.205 20 30 BEEDLO C=C1CCC(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000830994740 587580997 /nfs/dbraw/zinc/58/09/97/587580997.db2.gz RBNCYSRFVXCYAJ-UHFFFAOYSA-N 1 2 247.342 2.205 20 30 BEEDLO CCCCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000831171720 587589110 /nfs/dbraw/zinc/58/91/10/587589110.db2.gz GVIFUWFVCQIMEF-UHFFFAOYSA-N 1 2 237.347 2.429 20 30 BEEDLO CC[C@@H]1CCC[C@H](C=[NH+]n2ccnn2)C1 ZINC000835011897 587777755 /nfs/dbraw/zinc/77/77/55/587777755.db2.gz RFAFHHGFOVKUJB-MNOVXSKESA-N 1 2 206.293 2.328 20 30 BEEDLO Cc1ccc(NC(=O)C#CC2CC2)c(C)[nH+]1 ZINC000837464639 587875063 /nfs/dbraw/zinc/87/50/63/587875063.db2.gz YWFNYWDNABVFDH-UHFFFAOYSA-N 1 2 214.268 2.050 20 30 BEEDLO C[C@H]1C[C@H](NC(=O)C#CC(C)(C)C)c2[nH+]ccn21 ZINC000837689596 587890681 /nfs/dbraw/zinc/89/06/81/587890681.db2.gz WAXXTJHYQZXHDH-QWRGUYRKSA-N 1 2 245.326 2.055 20 30 BEEDLO CC[C@@H](C)CON=CC(C)(C)[NH+]1CCOCC1 ZINC000841642020 587965624 /nfs/dbraw/zinc/96/56/24/587965624.db2.gz DIWKZTPPRJRKES-GFCCVEGCSA-N 1 2 242.363 2.146 20 30 BEEDLO CC[C@H](C/[NH+]=C/c1ccccc1O)C(=O)OC ZINC000843262922 588096282 /nfs/dbraw/zinc/09/62/82/588096282.db2.gz GBUVCSBWOLZTDP-GMROUXNLSA-N 1 2 235.283 2.010 20 30 BEEDLO COCC1(CC/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000843266995 588096603 /nfs/dbraw/zinc/09/66/03/588096603.db2.gz RLTSSVWFHZVDPZ-OQLLNIDSSA-N 1 2 249.310 2.333 20 30 BEEDLO C=CC[C@@H]1CC[C@@]2(C1)[NH2+]C1(CCCC1)C(=O)N2C ZINC000844276501 588179253 /nfs/dbraw/zinc/17/92/53/588179253.db2.gz DXILHLOYBJKHLR-IUODEOHRSA-N 1 2 248.370 2.433 20 30 BEEDLO C=CC[C@H]1CC[C@@]2(C1)[NH2+]C1(CCCC1)C(=O)N2C ZINC000844276502 588179368 /nfs/dbraw/zinc/17/93/68/588179368.db2.gz DXILHLOYBJKHLR-SWLSCSKDSA-N 1 2 248.370 2.433 20 30 BEEDLO C=C(C)CO[NH+]=C(C)c1csc(N)n1 ZINC000844616759 588208345 /nfs/dbraw/zinc/20/83/45/588208345.db2.gz FBKMQOUVEXLZLI-UHFFFAOYSA-N 1 2 211.290 2.042 20 30 BEEDLO C#CC[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC000845483810 588230223 /nfs/dbraw/zinc/23/02/23/588230223.db2.gz OJDMBLRMRVAKIX-DGCLKSJQSA-N 1 2 246.310 2.179 20 30 BEEDLO C=C[C@H](CC)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845507291 588231307 /nfs/dbraw/zinc/23/13/07/588231307.db2.gz ZKKBOJTUPAGHFH-WDEREUQCSA-N 1 2 222.288 2.342 20 30 BEEDLO C=C(C)[C@H](C)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845513704 588231650 /nfs/dbraw/zinc/23/16/50/588231650.db2.gz GTFNWXHTJRFJOF-NSHDSACASA-N 1 2 248.326 2.270 20 30 BEEDLO C#CCC1(OC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC000845540425 588232603 /nfs/dbraw/zinc/23/26/03/588232603.db2.gz HYFCEKXCUQKAEV-GFCCVEGCSA-N 1 2 246.310 2.323 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC000847026461 588303554 /nfs/dbraw/zinc/30/35/54/588303554.db2.gz FFMRDPHXVADUCI-LLVKDONJSA-N 1 2 247.342 2.212 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC000847026461 588303555 /nfs/dbraw/zinc/30/35/55/588303555.db2.gz FFMRDPHXVADUCI-LLVKDONJSA-N 1 2 247.342 2.212 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000847032930 588304302 /nfs/dbraw/zinc/30/43/02/588304302.db2.gz ZDNLJFMHJBNIBU-LLVKDONJSA-N 1 2 247.342 2.212 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000847032930 588304303 /nfs/dbraw/zinc/30/43/03/588304303.db2.gz ZDNLJFMHJBNIBU-LLVKDONJSA-N 1 2 247.342 2.212 20 30 BEEDLO CC(CC(F)(F)F)=NNCCCn1cc[nH+]c1 ZINC000848416484 588381593 /nfs/dbraw/zinc/38/15/93/588381593.db2.gz MPHPHWXDNZFBPY-UHFFFAOYSA-N 1 2 248.252 2.191 20 30 BEEDLO CC(C)C(N=NCCCn1cc[nH+]c1)C1CC1 ZINC000848418480 588382038 /nfs/dbraw/zinc/38/20/38/588382038.db2.gz OAWVHEFQANLQMO-UHFFFAOYSA-N 1 2 234.347 2.285 20 30 BEEDLO CC(=NNCCCn1cc[nH+]c1)c1ccsc1 ZINC000848418252 588382047 /nfs/dbraw/zinc/38/20/47/588382047.db2.gz LKRXESXMDKHELP-UHFFFAOYSA-N 1 2 248.355 2.349 20 30 BEEDLO CC(N=NCCCn1cc[nH+]c1)C1CCC1 ZINC000848418108 588382205 /nfs/dbraw/zinc/38/22/05/588382205.db2.gz KADFOOOZHIJQKD-UHFFFAOYSA-N 1 2 220.320 2.039 20 30 BEEDLO C[C@@H]1CCCCC1=NNCCCn1cc[nH+]c1 ZINC000848417683 588382459 /nfs/dbraw/zinc/38/24/59/588382459.db2.gz CYAAWXWXHRRURG-GFCCVEGCSA-N 1 2 234.347 2.429 20 30 BEEDLO C[C@H]1CCCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848419625 588382702 /nfs/dbraw/zinc/38/27/02/588382702.db2.gz YYQSYWNLMPOIIP-LBPRGKRZSA-N 1 2 234.347 2.429 20 30 BEEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(C)o1 ZINC000848419670 588382726 /nfs/dbraw/zinc/38/27/26/588382726.db2.gz AWGPSTFTIOUKKY-UHFFFAOYSA-N 1 2 246.314 2.188 20 30 BEEDLO c1cn(CCCNN=C2CCCCC2)c[nH+]1 ZINC000848420294 588382786 /nfs/dbraw/zinc/38/27/86/588382786.db2.gz VWCWDVYZBMDJBH-UHFFFAOYSA-N 1 2 220.320 2.183 20 30 BEEDLO C#C[C@H]1CCCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000848749442 588410854 /nfs/dbraw/zinc/41/08/54/588410854.db2.gz HCIODYSMMXHREE-NSHDSACASA-N 1 2 240.310 2.116 20 30 BEEDLO C#C[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000848750605 588411073 /nfs/dbraw/zinc/41/10/73/588411073.db2.gz SJZNCIRNGZIEEW-ZDUSSCGKSA-N 1 2 229.327 2.251 20 30 BEEDLO C#C[C@@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000848751386 588411523 /nfs/dbraw/zinc/41/15/23/588411523.db2.gz YKQQCVFTAMMQRG-GFCCVEGCSA-N 1 2 239.322 2.423 20 30 BEEDLO C=CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000851730878 588619440 /nfs/dbraw/zinc/61/94/40/588619440.db2.gz HWVIEKATYIQDQK-UHFFFAOYSA-N 1 2 239.275 2.288 20 30 BEEDLO C=CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000851730878 588619441 /nfs/dbraw/zinc/61/94/41/588619441.db2.gz HWVIEKATYIQDQK-UHFFFAOYSA-N 1 2 239.275 2.288 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851799356 588630397 /nfs/dbraw/zinc/63/03/97/588630397.db2.gz ORKGVWIAPOHPGF-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO C#CC[N@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851799356 588630398 /nfs/dbraw/zinc/63/03/98/588630398.db2.gz ORKGVWIAPOHPGF-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1cccc(F)n1)C1CC1 ZINC000851865727 588636648 /nfs/dbraw/zinc/63/66/48/588636648.db2.gz GNMDGYAMSLWQFS-SNVBAGLBSA-N 1 2 233.290 2.345 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(F)n1)C1CC1 ZINC000851865727 588636649 /nfs/dbraw/zinc/63/66/49/588636649.db2.gz GNMDGYAMSLWQFS-SNVBAGLBSA-N 1 2 233.290 2.345 20 30 BEEDLO C#CC[N@@H+](CC=C(Cl)Cl)C1CC1 ZINC000851937972 588645807 /nfs/dbraw/zinc/64/58/07/588645807.db2.gz GFQWMJVWMJIEKY-UHFFFAOYSA-N 1 2 204.100 2.403 20 30 BEEDLO C#CC[N@H+](CC=C(Cl)Cl)C1CC1 ZINC000851937972 588645808 /nfs/dbraw/zinc/64/58/08/588645808.db2.gz GFQWMJVWMJIEKY-UHFFFAOYSA-N 1 2 204.100 2.403 20 30 BEEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC000852100403 588662763 /nfs/dbraw/zinc/66/27/63/588662763.db2.gz XEFMPBFXYHRPGO-TVQRCGJNSA-N 1 2 233.315 2.400 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nnc(CC)o1 ZINC000852101750 588663165 /nfs/dbraw/zinc/66/31/65/588663165.db2.gz IEUNQEHPHUJIAS-SKDRFNHKSA-N 1 2 221.304 2.085 20 30 BEEDLO C#C[C@](C)(CC)[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000852102571 588663324 /nfs/dbraw/zinc/66/33/24/588663324.db2.gz ZFPDGWLJGXRTQS-TZMCWYRMSA-N 1 2 239.359 2.356 20 30 BEEDLO C=CC[N@H+](CC(=C)Br)[C@@H](C)COC ZINC000852357441 588679901 /nfs/dbraw/zinc/67/99/01/588679901.db2.gz BNDCZPBPECQHFC-JTQLQIEISA-N 1 2 248.164 2.418 20 30 BEEDLO C=CC[N@@H+](CC(=C)Br)[C@@H](C)COC ZINC000852357441 588679902 /nfs/dbraw/zinc/67/99/02/588679902.db2.gz BNDCZPBPECQHFC-JTQLQIEISA-N 1 2 248.164 2.418 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cscn1 ZINC000852417396 588681706 /nfs/dbraw/zinc/68/17/06/588681706.db2.gz SLDUHCIRLZNURS-SECBINFHSA-N 1 2 221.329 2.488 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000852685431 588695871 /nfs/dbraw/zinc/69/58/71/588695871.db2.gz VONLMUZGDYMJDE-CQSZACIVSA-N 1 2 248.301 2.440 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000852685431 588695872 /nfs/dbraw/zinc/69/58/72/588695872.db2.gz VONLMUZGDYMJDE-CQSZACIVSA-N 1 2 248.301 2.440 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000852685030 588695943 /nfs/dbraw/zinc/69/59/43/588695943.db2.gz SXNPRHUMQUCNKD-ZIAGYGMSSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000852685030 588695944 /nfs/dbraw/zinc/69/59/44/588695944.db2.gz SXNPRHUMQUCNKD-ZIAGYGMSSA-N 1 2 248.301 2.095 20 30 BEEDLO C=C[C@H](CO)[NH2+]Cc1nc(Cl)ccc1Cl ZINC000852714446 588697582 /nfs/dbraw/zinc/69/75/82/588697582.db2.gz QBSRUHPEQZNTND-SSDOTTSWSA-N 1 2 247.125 2.025 20 30 BEEDLO C#CCC[N@@H+](CCOC)C/C(Cl)=C\Cl ZINC000852751228 588699980 /nfs/dbraw/zinc/69/99/80/588699980.db2.gz UDQQUXWSOAVRPU-CSKARUKUSA-N 1 2 236.142 2.277 20 30 BEEDLO C#CCC[N@H+](CCOC)C/C(Cl)=C\Cl ZINC000852751228 588699981 /nfs/dbraw/zinc/69/99/81/588699981.db2.gz UDQQUXWSOAVRPU-CSKARUKUSA-N 1 2 236.142 2.277 20 30 BEEDLO C=CC[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000860900071 589128433 /nfs/dbraw/zinc/12/84/33/589128433.db2.gz XEHXLHOCDPFTOJ-GHMZBOCLSA-N 1 2 222.288 2.342 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000862392308 589208033 /nfs/dbraw/zinc/20/80/33/589208033.db2.gz IWQMGDCEZSBVOF-CQSZACIVSA-N 1 2 240.306 2.002 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000862392308 589208034 /nfs/dbraw/zinc/20/80/34/589208034.db2.gz IWQMGDCEZSBVOF-CQSZACIVSA-N 1 2 240.306 2.002 20 30 BEEDLO CC(=Nn1cccn1)c1ccc(C)[nH+]c1C ZINC000863163415 589266360 /nfs/dbraw/zinc/26/63/60/589266360.db2.gz BPKXQDAZFNCLST-UHFFFAOYSA-N 1 2 214.272 2.167 20 30 BEEDLO Cc1ncc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)o1 ZINC000864054208 589335782 /nfs/dbraw/zinc/33/57/82/589335782.db2.gz UINVZJPOHCFOGU-JQWIXIFHSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1ncc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)o1 ZINC000864054208 589335784 /nfs/dbraw/zinc/33/57/84/589335784.db2.gz UINVZJPOHCFOGU-JQWIXIFHSA-N 1 2 219.288 2.107 20 30 BEEDLO C[N@H+](Cc1ccc(F)cn1)[C@@H]1CCC[C@@H]1C#N ZINC000864053260 589335966 /nfs/dbraw/zinc/33/59/66/589335966.db2.gz HQMHMBJMFOMBNQ-ZWNOBZJWSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1ccc(F)cn1)[C@@H]1CCC[C@@H]1C#N ZINC000864053260 589335968 /nfs/dbraw/zinc/33/59/68/589335968.db2.gz HQMHMBJMFOMBNQ-ZWNOBZJWSA-N 1 2 233.290 2.345 20 30 BEEDLO Oc1ccc(/C=[NH+]/CC2CC=CC2)c(O)c1O ZINC000864345516 589354003 /nfs/dbraw/zinc/35/40/03/589354003.db2.gz YYGMISGCSWDPQT-RIYZIHGNSA-N 1 2 233.267 2.189 20 30 BEEDLO COc1cccc(/C=[NH+]/C[C@H]2C[C@@H](OC)C2)c1O ZINC000864346048 589354829 /nfs/dbraw/zinc/35/48/29/589354829.db2.gz MSRFVHOKAGVWQZ-WNSGJZLWSA-N 1 2 249.310 2.245 20 30 BEEDLO C[C@H](CC#N)Nc1cc[nH+]cc1C(F)(F)F ZINC000865497899 589441896 /nfs/dbraw/zinc/44/18/96/589441896.db2.gz ULWPZIFFKFVTPT-SSDOTTSWSA-N 1 2 229.205 2.236 20 30 BEEDLO C#CCCNc1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000865537953 589444400 /nfs/dbraw/zinc/44/44/00/589444400.db2.gz FZJRWKDVXPRABF-UHFFFAOYSA-N 1 2 228.299 2.468 20 30 BEEDLO C=CCCN(C)c1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865715388 589457973 /nfs/dbraw/zinc/45/79/73/589457973.db2.gz RBHIDAVXKUTXGJ-UHFFFAOYSA-N 1 2 247.346 2.124 20 30 BEEDLO C=CCCN(C)c1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865715388 589457974 /nfs/dbraw/zinc/45/79/74/589457974.db2.gz RBHIDAVXKUTXGJ-UHFFFAOYSA-N 1 2 247.346 2.124 20 30 BEEDLO CCCNc1cc(NCC2(CC#N)CC2)nc[nH+]1 ZINC000865751150 589460757 /nfs/dbraw/zinc/46/07/57/589460757.db2.gz HELMSJZDRPSQFZ-UHFFFAOYSA-N 1 2 245.330 2.404 20 30 BEEDLO CCCNc1cc(NCC2(CC#N)CC2)[nH+]cn1 ZINC000865751150 589460758 /nfs/dbraw/zinc/46/07/58/589460758.db2.gz HELMSJZDRPSQFZ-UHFFFAOYSA-N 1 2 245.330 2.404 20 30 BEEDLO C#CC[C@H]1CCCN(c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000865900215 589467844 /nfs/dbraw/zinc/46/78/44/589467844.db2.gz WXEVHNVWWNRTJD-OLZOCXBDSA-N 1 2 244.338 2.375 20 30 BEEDLO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc(C#N)c1O ZINC000866214406 589480936 /nfs/dbraw/zinc/48/09/36/589480936.db2.gz OIJOASQVGJLXAV-PWSUYJOCSA-N 1 2 246.310 2.093 20 30 BEEDLO CCOCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866212874 589480957 /nfs/dbraw/zinc/48/09/57/589480957.db2.gz XFXYCTIBDBFWRQ-NSHDSACASA-N 1 2 248.326 2.341 20 30 BEEDLO CSCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866216796 589481264 /nfs/dbraw/zinc/48/12/64/589481264.db2.gz IDMPYNPZZOZKQZ-SECBINFHSA-N 1 2 236.340 2.277 20 30 BEEDLO C[C@@H]([NH2+]CC1CC1)c1cccc(C#N)c1O ZINC000866226911 589481643 /nfs/dbraw/zinc/48/16/43/589481643.db2.gz UYWAEWDIDAPHTN-SECBINFHSA-N 1 2 216.284 2.324 20 30 BEEDLO CCC[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866266106 589483699 /nfs/dbraw/zinc/48/36/99/589483699.db2.gz WUMMAZQKTVKHHM-ZYHUDNBSSA-N 1 2 248.326 2.075 20 30 BEEDLO C[C@H](CCCO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866282260 589484092 /nfs/dbraw/zinc/48/40/92/589484092.db2.gz GZACMRDUNGKWQE-MNOVXSKESA-N 1 2 248.326 2.075 20 30 BEEDLO COC(C)(C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866286435 589484408 /nfs/dbraw/zinc/48/44/08/589484408.db2.gz ZVDFFSNCFQNYLD-JTQLQIEISA-N 1 2 248.326 2.339 20 30 BEEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C(C)(C)O ZINC000866318415 589486233 /nfs/dbraw/zinc/48/62/33/589486233.db2.gz YDQSOWBJDFVDDQ-VHSXEESVSA-N 1 2 248.326 2.074 20 30 BEEDLO N#CCCC[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866335193 589486675 /nfs/dbraw/zinc/48/66/75/589486675.db2.gz FRGIXZVDVKCWHB-DGCLKSJQSA-N 1 2 234.274 2.352 20 30 BEEDLO N#CCC[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000872248057 589900159 /nfs/dbraw/zinc/90/01/59/589900159.db2.gz YAPKCEAYDCKUMJ-UHFFFAOYSA-N 1 2 244.323 2.208 20 30 BEEDLO Fc1cccnc1N=NCc1cn(C2CC2)c[nH+]1 ZINC000872372935 589923776 /nfs/dbraw/zinc/92/37/76/589923776.db2.gz SPEXJYJFINNNRO-UHFFFAOYSA-N 1 2 245.261 2.198 20 30 BEEDLO C[N@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876580967 590218425 /nfs/dbraw/zinc/21/84/25/590218425.db2.gz VUZOOGWQFLTRSM-UHFFFAOYSA-N 1 2 221.691 2.201 20 30 BEEDLO C[N@@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876580967 590218427 /nfs/dbraw/zinc/21/84/27/590218427.db2.gz VUZOOGWQFLTRSM-UHFFFAOYSA-N 1 2 221.691 2.201 20 30 BEEDLO CC1(C[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)CCCC1 ZINC000876734023 590234076 /nfs/dbraw/zinc/23/40/76/590234076.db2.gz NQAROULQVHBXQG-AWEZNQCLSA-N 1 2 247.386 2.239 20 30 BEEDLO CC1(C[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)CCCC1 ZINC000876734023 590234078 /nfs/dbraw/zinc/23/40/78/590234078.db2.gz NQAROULQVHBXQG-AWEZNQCLSA-N 1 2 247.386 2.239 20 30 BEEDLO N#CCCC[NH2+]Cc1ccc(F)c(F)c1O ZINC000877303802 590310649 /nfs/dbraw/zinc/31/06/49/590310649.db2.gz MXMIIIOSOCDPSX-UHFFFAOYSA-N 1 2 226.226 2.064 20 30 BEEDLO Cc1cccc(O)c1C[N@@H+]1CC[C@](F)(C#N)C1 ZINC000877465742 590333316 /nfs/dbraw/zinc/33/33/16/590333316.db2.gz WDQOOLWMHHNVGR-ZDUSSCGKSA-N 1 2 234.274 2.138 20 30 BEEDLO Cc1cccc(O)c1C[N@H+]1CC[C@](F)(C#N)C1 ZINC000877465742 590333319 /nfs/dbraw/zinc/33/33/19/590333319.db2.gz WDQOOLWMHHNVGR-ZDUSSCGKSA-N 1 2 234.274 2.138 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877480542 590336806 /nfs/dbraw/zinc/33/68/06/590336806.db2.gz YTWLXIUPDMMWQS-VIFPVBQESA-N 1 2 233.702 2.060 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877480542 590336807 /nfs/dbraw/zinc/33/68/07/590336807.db2.gz YTWLXIUPDMMWQS-VIFPVBQESA-N 1 2 233.702 2.060 20 30 BEEDLO CC1C[NH+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877489265 590338817 /nfs/dbraw/zinc/33/88/17/590338817.db2.gz SFWKQPULIGGSCC-UHFFFAOYSA-N 1 2 221.691 2.058 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1csc(C)c1C ZINC000877585664 590368066 /nfs/dbraw/zinc/36/80/66/590368066.db2.gz LYSDUWNHICJWSS-ZDUSSCGKSA-N 1 2 235.352 2.199 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1csc(C)c1C ZINC000877585664 590368068 /nfs/dbraw/zinc/36/80/68/590368068.db2.gz LYSDUWNHICJWSS-ZDUSSCGKSA-N 1 2 235.352 2.199 20 30 BEEDLO CC1(C)C[NH+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877718233 590399762 /nfs/dbraw/zinc/39/97/62/590399762.db2.gz ZPJPMIRTUCGUEE-UHFFFAOYSA-N 1 2 235.718 2.448 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccoc1C ZINC000877991378 590467729 /nfs/dbraw/zinc/46/77/29/590467729.db2.gz JGJSWONNYBVOOK-GFCCVEGCSA-N 1 2 237.299 2.138 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccoc1C ZINC000877991378 590467731 /nfs/dbraw/zinc/46/77/31/590467731.db2.gz JGJSWONNYBVOOK-GFCCVEGCSA-N 1 2 237.299 2.138 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@H+](CC)Cc1ccccn1 ZINC000878186257 590520129 /nfs/dbraw/zinc/52/01/29/590520129.db2.gz RXRWCWZEHCCDBE-ZDUSSCGKSA-N 1 2 248.326 2.021 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](CC)Cc1ccccn1 ZINC000878186257 590520131 /nfs/dbraw/zinc/52/01/31/590520131.db2.gz RXRWCWZEHCCDBE-ZDUSSCGKSA-N 1 2 248.326 2.021 20 30 BEEDLO C=CC(C)(C)CC(=O)NCCCCn1cc[nH+]c1 ZINC000878368634 590554472 /nfs/dbraw/zinc/55/44/72/590554472.db2.gz MACCARPIZFPGBS-UHFFFAOYSA-N 1 2 249.358 2.382 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1scnc1Cl ZINC000878516644 590584754 /nfs/dbraw/zinc/58/47/54/590584754.db2.gz JWGBNIWFLMMPLI-SSDOTTSWSA-N 1 2 214.721 2.250 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1scnc1Cl ZINC000878516644 590584755 /nfs/dbraw/zinc/58/47/55/590584755.db2.gz JWGBNIWFLMMPLI-SSDOTTSWSA-N 1 2 214.721 2.250 20 30 BEEDLO C=CC(C)(C)CC(=O)Nc1cc[nH+]cc1C ZINC000878768055 590617444 /nfs/dbraw/zinc/61/74/44/590617444.db2.gz BZLGCIFITPUCQM-UHFFFAOYSA-N 1 2 218.300 2.353 20 30 BEEDLO C=CC[C@H]([NH2+]C1(CC(C)C)CC1)C(=O)OC ZINC000878994552 590672178 /nfs/dbraw/zinc/67/21/78/590672178.db2.gz UDNSYPAYHMIVOI-NSHDSACASA-N 1 2 225.332 2.272 20 30 BEEDLO C[N@H+](Cc1ccc(C#N)o1)[C@H]1CCC[C@@H]1C#N ZINC000879308551 590735322 /nfs/dbraw/zinc/73/53/22/590735322.db2.gz COCMFKPVFPAYNI-MFKMUULPSA-N 1 2 229.283 2.275 20 30 BEEDLO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCC[C@@H]1C#N ZINC000879308551 590735324 /nfs/dbraw/zinc/73/53/24/590735324.db2.gz COCMFKPVFPAYNI-MFKMUULPSA-N 1 2 229.283 2.275 20 30 BEEDLO CC#CCC[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879500229 590783120 /nfs/dbraw/zinc/78/31/20/590783120.db2.gz ACZACGFAQQLNPB-JTQLQIEISA-N 1 2 235.249 2.053 20 30 BEEDLO CC#CCC[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000879500229 590783124 /nfs/dbraw/zinc/78/31/24/590783124.db2.gz ACZACGFAQQLNPB-JTQLQIEISA-N 1 2 235.249 2.053 20 30 BEEDLO C=CC[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)OC ZINC000879649731 590841111 /nfs/dbraw/zinc/84/11/11/590841111.db2.gz FFYBPVFHLMBZSY-JQWIXIFHSA-N 1 2 249.310 2.161 20 30 BEEDLO C=CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)OC ZINC000879649729 590841812 /nfs/dbraw/zinc/84/18/12/590841812.db2.gz FFYBPVFHLMBZSY-CMPLNLGQSA-N 1 2 249.310 2.161 20 30 BEEDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCC#N)no1 ZINC000879680433 590846723 /nfs/dbraw/zinc/84/67/23/590846723.db2.gz OIDJUKCTNGKFSN-YOGCLGLASA-N 1 2 246.314 2.002 20 30 BEEDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC#N)no1 ZINC000879680433 590846728 /nfs/dbraw/zinc/84/67/28/590846728.db2.gz OIDJUKCTNGKFSN-YOGCLGLASA-N 1 2 246.314 2.002 20 30 BEEDLO CCOC(=O)[C@H](CC1CC1)[NH2+][C@@H](C)CCC#N ZINC000879982877 590904123 /nfs/dbraw/zinc/90/41/23/590904123.db2.gz OISBQRGFDRGQNQ-JQWIXIFHSA-N 1 2 238.331 2.000 20 30 BEEDLO C=CCCOCCNc1nc[nH+]c(C)c1C ZINC000882137125 591304126 /nfs/dbraw/zinc/30/41/26/591304126.db2.gz YVIXXYUQAUWMJD-UHFFFAOYSA-N 1 2 221.304 2.098 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc[nH+]c(C)c1C ZINC000882301239 591327198 /nfs/dbraw/zinc/32/71/98/591327198.db2.gz SEODHQXSEOEQPK-OLZOCXBDSA-N 1 2 247.342 2.487 20 30 BEEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc[nH+]c(C)c1C ZINC000882301238 591327400 /nfs/dbraw/zinc/32/74/00/591327400.db2.gz SEODHQXSEOEQPK-CHWSQXEVSA-N 1 2 247.342 2.487 20 30 BEEDLO C#CCSCCNc1cc[nH+]c(C(C)C)n1 ZINC000131788881 591657889 /nfs/dbraw/zinc/65/78/89/591657889.db2.gz PBAUVNSPURKMJD-UHFFFAOYSA-N 1 2 235.356 2.378 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc[nH+]c(CC)n1 ZINC000884494888 591956004 /nfs/dbraw/zinc/95/60/04/591956004.db2.gz FXBGVTUZCBZSPJ-RISCZKNCSA-N 1 2 247.342 2.432 20 30 BEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(CC)n1 ZINC000884521711 591964688 /nfs/dbraw/zinc/96/46/88/591964688.db2.gz DYMGQSUQFSFXNE-MNOVXSKESA-N 1 2 233.315 2.185 20 30 BEEDLO C=CC(C)(C)CC(=O)OCCCn1cc[nH+]c1 ZINC000884649599 592002752 /nfs/dbraw/zinc/00/27/52/592002752.db2.gz JFUQDCDBXBVMGV-UHFFFAOYSA-N 1 2 236.315 2.419 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886215243 592178072 /nfs/dbraw/zinc/17/80/72/592178072.db2.gz GQXLKYHXGCVHMJ-KBPBESRZSA-N 1 2 234.343 2.346 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886215243 592178073 /nfs/dbraw/zinc/17/80/73/592178073.db2.gz GQXLKYHXGCVHMJ-KBPBESRZSA-N 1 2 234.343 2.346 20 30 BEEDLO COC[C@H]1C[C@@H](/[NH+]=C/c2ccccc2O)C1 ZINC000887270314 592474193 /nfs/dbraw/zinc/47/41/93/592474193.db2.gz LSNNPGRWZWDNEI-RJTVHTASSA-N 1 2 219.284 2.236 20 30 BEEDLO Oc1ccccc1/C=[NH+]\CC[C@H]1CCCO1 ZINC000887272285 592474233 /nfs/dbraw/zinc/47/42/33/592474233.db2.gz KVLJCNIGNQNMSG-XTCQQWIJSA-N 1 2 219.284 2.380 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000308398645 631314856 /nfs/dbraw/zinc/31/48/56/631314856.db2.gz GXKYZBKIVRCEBW-ZETCQYMHSA-N 1 2 211.639 2.052 20 30 BEEDLO C=C(Cl)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000308398645 631314845 /nfs/dbraw/zinc/31/48/45/631314845.db2.gz GXKYZBKIVRCEBW-ZETCQYMHSA-N 1 2 211.639 2.052 20 30 BEEDLO N#Cc1cc(C[NH+]2CCSCC2)cs1 ZINC000891572580 631396756 /nfs/dbraw/zinc/39/67/56/631396756.db2.gz WZCIOGRQFIYPGG-UHFFFAOYSA-N 1 2 224.354 2.169 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nnc(CC)[nH]1 ZINC000934460117 631852887 /nfs/dbraw/zinc/85/28/87/631852887.db2.gz NTKWGHCKXDCUPK-VHSXEESVSA-N 1 2 220.320 2.079 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nnc(CC)[nH]1 ZINC000934460117 631852893 /nfs/dbraw/zinc/85/28/93/631852893.db2.gz NTKWGHCKXDCUPK-VHSXEESVSA-N 1 2 220.320 2.079 20 30 BEEDLO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC000260018400 632567698 /nfs/dbraw/zinc/56/76/98/632567698.db2.gz ODXAYHNGMHPFBP-NWDGAFQWSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1ccncc1)[N@H+]1CCC[C@H](C#N)C1 ZINC000260018400 632567702 /nfs/dbraw/zinc/56/77/02/632567702.db2.gz ODXAYHNGMHPFBP-NWDGAFQWSA-N 1 2 215.300 2.378 20 30 BEEDLO CC[C@H]([NH2+]C1CC1)c1cccc(C#N)c1O ZINC000924528837 632702833 /nfs/dbraw/zinc/70/28/33/632702833.db2.gz JRXWDHSCUZANMV-LBPRGKRZSA-N 1 2 216.284 2.467 20 30 BEEDLO C=C(Br)C[N@H+]1CCC[C@H](OC)C1 ZINC000076497516 636035956 /nfs/dbraw/zinc/03/59/56/636035956.db2.gz PDMXPSMXWNIDSG-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@@H+]1CCC[C@H](OC)C1 ZINC000076497516 636035965 /nfs/dbraw/zinc/03/59/65/636035965.db2.gz PDMXPSMXWNIDSG-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO C=C[C@H](CC)CC(=O)OCCn1cc[nH+]c1 ZINC000909524798 636164873 /nfs/dbraw/zinc/16/48/73/636164873.db2.gz JHGFCFDYGVNJSM-LLVKDONJSA-N 1 2 222.288 2.029 20 30 BEEDLO C=C[C@H](CC)CC(=O)OCCc1c[nH+]cn1C ZINC000909525521 636167273 /nfs/dbraw/zinc/16/72/73/636167273.db2.gz PNVQGSVOLYGYBT-LLVKDONJSA-N 1 2 236.315 2.108 20 30 BEEDLO C=C1CC(C)(c2noc([C@@H](C)[NH+](C)C)n2)C1 ZINC000924124501 634091680 /nfs/dbraw/zinc/09/16/80/634091680.db2.gz AKKOVALFSCVEEH-SECBINFHSA-N 1 2 221.304 2.300 20 30 BEEDLO C#C[C@H]1CCCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000897360494 636422199 /nfs/dbraw/zinc/42/21/99/636422199.db2.gz HZWDNHSSHMIGHE-LBPRGKRZSA-N 1 2 242.326 2.043 20 30 BEEDLO C#C[C@H]1CCCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000897360494 636422204 /nfs/dbraw/zinc/42/22/04/636422204.db2.gz HZWDNHSSHMIGHE-LBPRGKRZSA-N 1 2 242.326 2.043 20 30 BEEDLO C#Cc1cccc(NCc2c[nH+]cn2C)c1 ZINC000085167638 636877439 /nfs/dbraw/zinc/87/74/39/636877439.db2.gz JJIXFPKAOCTUHS-UHFFFAOYSA-N 1 2 211.268 2.014 20 30 BEEDLO C#CC[N@H+](CN1C(=O)[C@H]2CCCCC[C@@H]21)C(C)C ZINC000905747820 637897488 /nfs/dbraw/zinc/89/74/88/637897488.db2.gz DRNQIECHXYTFRL-KBPBESRZSA-N 1 2 248.370 2.079 20 30 BEEDLO C#CC[N@@H+](CN1C(=O)[C@H]2CCCCC[C@@H]21)C(C)C ZINC000905747820 637897491 /nfs/dbraw/zinc/89/74/91/637897491.db2.gz DRNQIECHXYTFRL-KBPBESRZSA-N 1 2 248.370 2.079 20 30 BEEDLO C=CCSCC[NH2+][C@H](C(=O)OC)[C@@H](C)CC ZINC000905761103 637916529 /nfs/dbraw/zinc/91/65/29/637916529.db2.gz DPFWXGYKNBPJGE-QWRGUYRKSA-N 1 2 245.388 2.083 20 30 BEEDLO C=CCC[N@@H+](C)Cc1nc(COC(C)C)no1 ZINC000930253196 639663968 /nfs/dbraw/zinc/66/39/68/639663968.db2.gz MUUPNSNPQZOFOJ-UHFFFAOYSA-N 1 2 239.319 2.003 20 30 BEEDLO C=CCC[N@H+](C)Cc1nc(COC(C)C)no1 ZINC000930253196 639663971 /nfs/dbraw/zinc/66/39/71/639663971.db2.gz MUUPNSNPQZOFOJ-UHFFFAOYSA-N 1 2 239.319 2.003 20 30 BEEDLO Cc1cc(C)[nH+]c(CN2CC[C@@](F)(C#N)C2)c1 ZINC000930252756 639664441 /nfs/dbraw/zinc/66/44/41/639664441.db2.gz DFKZHXBVQZYBBH-CYBMUJFWSA-N 1 2 233.290 2.136 20 30 BEEDLO C[C@@H]1C[C@H](C[NH+]2CC(C)(C#N)C2)C[C@H](C)O1 ZINC000930299140 639690363 /nfs/dbraw/zinc/69/03/63/639690363.db2.gz BKFADMRCLREYLL-GDNZZTSVSA-N 1 2 222.332 2.035 20 30 BEEDLO C[C@H](CC#N)[NH2+][C@H](C)c1ccc(F)nc1 ZINC000930866558 639959907 /nfs/dbraw/zinc/95/99/07/639959907.db2.gz COERDBAOINMTRN-RKDXNWHRSA-N 1 2 207.252 2.173 20 30 BEEDLO COC[C@H](C[N@H+]([C@@H](C)C#N)C1CC1)C(C)C ZINC000930974349 640009855 /nfs/dbraw/zinc/00/98/55/640009855.db2.gz VNQIUYCUWAJSOB-RYUDHWBXSA-N 1 2 224.348 2.281 20 30 BEEDLO COC[C@H](C[N@@H+]([C@@H](C)C#N)C1CC1)C(C)C ZINC000930974349 640009860 /nfs/dbraw/zinc/00/98/60/640009860.db2.gz VNQIUYCUWAJSOB-RYUDHWBXSA-N 1 2 224.348 2.281 20 30 BEEDLO C=CC[N@H+](Cc1nncs1)C(C)(C)C ZINC000931016763 640020260 /nfs/dbraw/zinc/02/02/60/640020260.db2.gz HGZUXFQGBIQGMY-UHFFFAOYSA-N 1 2 211.334 2.325 20 30 BEEDLO C=CC[N@@H+](Cc1nncs1)C(C)(C)C ZINC000931016763 640020263 /nfs/dbraw/zinc/02/02/63/640020263.db2.gz HGZUXFQGBIQGMY-UHFFFAOYSA-N 1 2 211.334 2.325 20 30 BEEDLO CCc1onc(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000931061884 640050102 /nfs/dbraw/zinc/05/01/02/640050102.db2.gz FKMJGCHMRJEDOI-ZDUSSCGKSA-N 1 2 233.315 2.281 20 30 BEEDLO CCc1onc(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000931061884 640050108 /nfs/dbraw/zinc/05/01/08/640050108.db2.gz FKMJGCHMRJEDOI-ZDUSSCGKSA-N 1 2 233.315 2.281 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931674554 640310092 /nfs/dbraw/zinc/31/00/92/640310092.db2.gz ASSQKXDWHLMYSH-UHFFFAOYSA-N 1 2 237.734 2.400 20 30 BEEDLO C=C(Cl)C[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931674554 640310097 /nfs/dbraw/zinc/31/00/97/640310097.db2.gz ASSQKXDWHLMYSH-UHFFFAOYSA-N 1 2 237.734 2.400 20 30 BEEDLO Cc1nccn1CCCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932152787 640443338 /nfs/dbraw/zinc/44/33/38/640443338.db2.gz UODBABDISOJMGN-CQSZACIVSA-N 1 2 246.358 2.207 20 30 BEEDLO Cc1nccn1CCCC[N@H+]1CCC[C@H](C#N)C1 ZINC000932152787 640443346 /nfs/dbraw/zinc/44/33/46/640443346.db2.gz UODBABDISOJMGN-CQSZACIVSA-N 1 2 246.358 2.207 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000932160416 640445592 /nfs/dbraw/zinc/44/55/92/640445592.db2.gz DICNQNRSRIRORA-SMDDNHRTSA-N 1 2 248.301 2.095 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000932160416 640445597 /nfs/dbraw/zinc/44/55/97/640445597.db2.gz DICNQNRSRIRORA-SMDDNHRTSA-N 1 2 248.301 2.095 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932207853 640453002 /nfs/dbraw/zinc/45/30/02/640453002.db2.gz UGHWKHYBMIVFAM-NSHDSACASA-N 1 2 235.356 2.311 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932207853 640453007 /nfs/dbraw/zinc/45/30/07/640453007.db2.gz UGHWKHYBMIVFAM-NSHDSACASA-N 1 2 235.356 2.311 20 30 BEEDLO C#CC[N@H+](Cc1noc2c1CCCC2)C(C)C ZINC000932392462 640521214 /nfs/dbraw/zinc/52/12/14/640521214.db2.gz KLCJRZRJHKDJHW-UHFFFAOYSA-N 1 2 232.327 2.397 20 30 BEEDLO C#CC[N@@H+](Cc1noc2c1CCCC2)C(C)C ZINC000932392462 640521221 /nfs/dbraw/zinc/52/12/21/640521221.db2.gz KLCJRZRJHKDJHW-UHFFFAOYSA-N 1 2 232.327 2.397 20 30 BEEDLO C#CC[N@@H+](Cc1nnc(C(C)C)[nH]1)C(C)(C)C ZINC000932461366 640531616 /nfs/dbraw/zinc/53/16/16/640531616.db2.gz ATLUMQYLCNBTPO-UHFFFAOYSA-N 1 2 234.347 2.162 20 30 BEEDLO C#CC[N@H+](Cc1nnc(C(C)C)[nH]1)C(C)(C)C ZINC000932461366 640531622 /nfs/dbraw/zinc/53/16/22/640531622.db2.gz ATLUMQYLCNBTPO-UHFFFAOYSA-N 1 2 234.347 2.162 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)CC2=CCCCC2)C1 ZINC001030158288 640641355 /nfs/dbraw/zinc/64/13/55/640641355.db2.gz KYKFMIJLFQWXGB-UHFFFAOYSA-N 1 2 248.370 2.253 20 30 BEEDLO C#CCC1([NH2+][C@H](C(=O)OC)[C@H](C)CC)CCC1 ZINC000933294133 640699795 /nfs/dbraw/zinc/69/97/95/640699795.db2.gz PCBMPNKHQSOTQP-NEPJUHHUSA-N 1 2 237.343 2.110 20 30 BEEDLO C=C[C@H](CC)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000933299727 640702711 /nfs/dbraw/zinc/70/27/11/640702711.db2.gz VXJCZLWUMLFLFB-CHWSQXEVSA-N 1 2 249.358 2.238 20 30 BEEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cncs1 ZINC000934201889 641101450 /nfs/dbraw/zinc/10/14/50/641101450.db2.gz WDZXHQILMZEDDM-NXEZZACHSA-N 1 2 234.328 2.237 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(C(C)C)no1 ZINC000934472965 641166902 /nfs/dbraw/zinc/16/69/02/641166902.db2.gz VTDRYLLSTNGUKH-JTQLQIEISA-N 1 2 221.304 2.343 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(C(C)C)no1 ZINC000934472965 641166910 /nfs/dbraw/zinc/16/69/10/641166910.db2.gz VTDRYLLSTNGUKH-JTQLQIEISA-N 1 2 221.304 2.343 20 30 BEEDLO CCn1cc(C[N@H+](CCC#N)CC(C)C)cn1 ZINC000050539873 641175594 /nfs/dbraw/zinc/17/55/94/641175594.db2.gz SVNLLNQYOLYPEV-UHFFFAOYSA-N 1 2 234.347 2.275 20 30 BEEDLO CCn1cc(C[N@@H+](CCC#N)CC(C)C)cn1 ZINC000050539873 641175598 /nfs/dbraw/zinc/17/55/98/641175598.db2.gz SVNLLNQYOLYPEV-UHFFFAOYSA-N 1 2 234.347 2.275 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cn2ccccc2n1 ZINC000934509863 641175806 /nfs/dbraw/zinc/17/58/06/641175806.db2.gz QRRQUBMKRGRZFF-AWEZNQCLSA-N 1 2 239.322 2.322 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1cn2ccccc2n1 ZINC000934509863 641175809 /nfs/dbraw/zinc/17/58/09/641175809.db2.gz QRRQUBMKRGRZFF-AWEZNQCLSA-N 1 2 239.322 2.322 20 30 BEEDLO N#CCC[NH2+]Cc1cccc(Cl)c1O ZINC000159151262 641667750 /nfs/dbraw/zinc/66/77/50/641667750.db2.gz LGXURQOUXCOXCT-UHFFFAOYSA-N 1 2 210.664 2.049 20 30 BEEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCOC1 ZINC000307156144 642367967 /nfs/dbraw/zinc/36/79/67/642367967.db2.gz WLTRUYWMNVHBTQ-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@H+](C)[C@H]1CCCOC1 ZINC000307156144 642367971 /nfs/dbraw/zinc/36/79/71/642367971.db2.gz WLTRUYWMNVHBTQ-VIFPVBQESA-N 1 2 234.137 2.006 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922635680 644047112 /nfs/dbraw/zinc/04/71/12/644047112.db2.gz VKQLODKBRRJRMA-ZDUSSCGKSA-N 1 2 234.299 2.309 20 30 BEEDLO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000079828915 644214363 /nfs/dbraw/zinc/21/43/63/644214363.db2.gz NNGDQPIWVYGYKE-ZDUSSCGKSA-N 1 2 230.311 2.431 20 30 BEEDLO COc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000079828915 644214364 /nfs/dbraw/zinc/21/43/64/644214364.db2.gz NNGDQPIWVYGYKE-ZDUSSCGKSA-N 1 2 230.311 2.431 20 30 BEEDLO C=CCOCC[NH2+]Cc1cccc(Cl)c1O ZINC000303552393 644830049 /nfs/dbraw/zinc/83/00/49/644830049.db2.gz ZMAHVEKEXYJVRE-UHFFFAOYSA-N 1 2 241.718 2.338 20 30 BEEDLO C(=NNCC1CCCC1)c1cccc2[nH+]ccn21 ZINC000808005653 644869375 /nfs/dbraw/zinc/86/93/75/644869375.db2.gz ISASZCDDEUBXMQ-UHFFFAOYSA-N 1 2 242.326 2.448 20 30 BEEDLO CCc1nc(C[NH2+]Cc2cc(C#N)cs2)co1 ZINC000825050401 645060089 /nfs/dbraw/zinc/06/00/89/645060089.db2.gz LVCGEMUKIOTWSW-UHFFFAOYSA-N 1 2 247.323 2.460 20 30 BEEDLO C#CC1CC[NH+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000830301379 645119243 /nfs/dbraw/zinc/11/92/43/645119243.db2.gz LFIQQLBJCCWXEV-UHFFFAOYSA-N 1 2 247.342 2.212 20 30 BEEDLO CC(C)(CN=Nc1ccccc1)[NH+]1CCOCC1 ZINC000841604135 645222163 /nfs/dbraw/zinc/22/21/63/645222163.db2.gz MQIWARJEATXHLS-UHFFFAOYSA-N 1 2 247.342 2.195 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCCc2occc2C1 ZINC000878626810 645821472 /nfs/dbraw/zinc/82/14/72/645821472.db2.gz XGFVNMGGCGLWHE-GFCCVEGCSA-N 1 2 249.310 2.146 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCCc2occc2C1 ZINC000878626810 645821474 /nfs/dbraw/zinc/82/14/74/645821474.db2.gz XGFVNMGGCGLWHE-GFCCVEGCSA-N 1 2 249.310 2.146 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)CCSc1ccncc1 ZINC000929831089 646347909 /nfs/dbraw/zinc/34/79/09/646347909.db2.gz MKWQMMFWCPYVBV-NSHDSACASA-N 1 2 235.356 2.408 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)CCSc1ccncc1 ZINC000929831089 646347912 /nfs/dbraw/zinc/34/79/12/646347912.db2.gz MKWQMMFWCPYVBV-NSHDSACASA-N 1 2 235.356 2.408 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1nnc(CC)s1)C(C)(C)C ZINC000702672636 712059789 /nfs/dbraw/zinc/05/97/89/712059789.db2.gz ZVSNGVFENANQCY-SECBINFHSA-N 1 2 237.372 2.238 20 30 BEEDLO C[N@@H+](CCC#N)CCSC(C)(C)C ZINC000379367449 712377719 /nfs/dbraw/zinc/37/77/19/712377719.db2.gz MJCRJPMBXPFGDZ-UHFFFAOYSA-N 1 2 200.351 2.364 20 30 BEEDLO C[N@H+](CCC#N)CCSC(C)(C)C ZINC000379367449 712377721 /nfs/dbraw/zinc/37/77/21/712377721.db2.gz MJCRJPMBXPFGDZ-UHFFFAOYSA-N 1 2 200.351 2.364 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000388993650 711071931 /nfs/dbraw/zinc/07/19/31/711071931.db2.gz VSQRCZBKGDPIMO-VIFPVBQESA-N 1 2 213.712 2.213 20 30 BEEDLO C=CCN[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000393922831 711179444 /nfs/dbraw/zinc/17/94/44/711179444.db2.gz MQOIGUBTZZQNJF-UHFFFAOYSA-N 1 2 225.242 2.047 20 30 BEEDLO C=C(Br)C[NH2+]Cc1ncc(C)s1 ZINC000394726090 711689936 /nfs/dbraw/zinc/68/99/36/711689936.db2.gz NWNVFDPGKILNHB-UHFFFAOYSA-N 1 2 247.161 2.450 20 30 BEEDLO CC#CC[N@H+](C)Cc1nn(C)c2ccccc12 ZINC000897167021 711784513 /nfs/dbraw/zinc/78/45/13/711784513.db2.gz VSXNRLSXYZFOLL-UHFFFAOYSA-N 1 2 227.311 2.028 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nn(C)c2ccccc12 ZINC000897167021 711784515 /nfs/dbraw/zinc/78/45/15/711784515.db2.gz VSXNRLSXYZFOLL-UHFFFAOYSA-N 1 2 227.311 2.028 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1ncc(C)o1)C(C)(C)C ZINC000700402524 711992087 /nfs/dbraw/zinc/99/20/87/711992087.db2.gz MOBMUABVTYNJOW-SNVBAGLBSA-N 1 2 206.289 2.121 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cn(C)cn1 ZINC000710177807 712246804 /nfs/dbraw/zinc/24/68/04/712246804.db2.gz PPSAVTZEVAIFJQ-LLVKDONJSA-N 1 2 232.331 2.155 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715417511 712518242 /nfs/dbraw/zinc/51/82/42/712518242.db2.gz YLCBARADADAOGQ-IACUBPJLSA-N 1 2 234.343 2.180 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715417511 712518243 /nfs/dbraw/zinc/51/82/43/712518243.db2.gz YLCBARADADAOGQ-IACUBPJLSA-N 1 2 234.343 2.180 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715417514 712518357 /nfs/dbraw/zinc/51/83/57/712518357.db2.gz YLCBARADADAOGQ-YUTCNCBUSA-N 1 2 234.343 2.180 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715417514 712518358 /nfs/dbraw/zinc/51/83/58/712518358.db2.gz YLCBARADADAOGQ-YUTCNCBUSA-N 1 2 234.343 2.180 20 30 BEEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccns1 ZINC000715932664 712543735 /nfs/dbraw/zinc/54/37/35/712543735.db2.gz PJUMJXDHVSNUFB-QMMMGPOBSA-N 1 2 209.318 2.343 20 30 BEEDLO Cc1cccc([C@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932147431 712715181 /nfs/dbraw/zinc/71/51/81/712715181.db2.gz CZQPJHRTZVVGQQ-DZGCQCFKSA-N 1 2 244.338 2.264 20 30 BEEDLO Cc1cccc([C@H](O)C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932147431 712715183 /nfs/dbraw/zinc/71/51/83/712715183.db2.gz CZQPJHRTZVVGQQ-DZGCQCFKSA-N 1 2 244.338 2.264 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1c(C)nn(C)c1C ZINC001203059084 960530437 /nfs/dbraw/zinc/53/04/37/960530437.db2.gz BXCINBGLRMEFES-UHFFFAOYSA-N 1 2 234.347 2.163 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1c(C)nn(C)c1C ZINC001203059084 960530449 /nfs/dbraw/zinc/53/04/49/960530449.db2.gz BXCINBGLRMEFES-UHFFFAOYSA-N 1 2 234.347 2.163 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](CC)CCC)C1 ZINC001268466637 961845961 /nfs/dbraw/zinc/84/59/61/961845961.db2.gz MHBRERYWJJWJEC-LBPRGKRZSA-N 1 2 238.375 2.189 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@@H](C)CC)C1 ZINC001483859938 966394104 /nfs/dbraw/zinc/39/41/04/966394104.db2.gz GZZBFZLPRILYBU-LBPRGKRZSA-N 1 2 238.375 2.141 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)C[C@H](C)CC)C1 ZINC001483859937 966395545 /nfs/dbraw/zinc/39/55/45/966395545.db2.gz GZZBFZLPRILYBU-GFCCVEGCSA-N 1 2 238.375 2.141 20 30 BEEDLO COC[C@@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC001255567086 970360191 /nfs/dbraw/zinc/36/01/91/970360191.db2.gz APEXGDMTXMQILT-CYBMUJFWSA-N 1 2 232.327 2.437 20 30 BEEDLO COC[C@@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001255567086 970360203 /nfs/dbraw/zinc/36/02/03/970360203.db2.gz APEXGDMTXMQILT-CYBMUJFWSA-N 1 2 232.327 2.437 20 30 BEEDLO C[C@H](CC(F)(F)F)[N@@H+]1CC[C@@H](C#N)C1 ZINC001255656624 970432233 /nfs/dbraw/zinc/43/22/33/970432233.db2.gz XXOQXZYYVORNMA-SFYZADRCSA-N 1 2 206.211 2.173 20 30 BEEDLO C[C@H](CC(F)(F)F)[N@H+]1CC[C@@H](C#N)C1 ZINC001255656624 970432238 /nfs/dbraw/zinc/43/22/38/970432238.db2.gz XXOQXZYYVORNMA-SFYZADRCSA-N 1 2 206.211 2.173 20 30 BEEDLO CCC[C@@](C)(C#N)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173170602 975063881 /nfs/dbraw/zinc/06/38/81/975063881.db2.gz TXYXNHBHELLIMU-TUAOUCFPSA-N 1 2 210.321 2.226 20 30 BEEDLO C=CCOC1CCC([N@@H+](C)[C@@H](C)C#N)CC1 ZINC001173322901 975270813 /nfs/dbraw/zinc/27/08/13/975270813.db2.gz PGPJIZPDUSLYLV-HIFPTAJRSA-N 1 2 222.332 2.344 20 30 BEEDLO C=CCOC1CCC([N@H+](C)[C@@H](C)C#N)CC1 ZINC001173322901 975270820 /nfs/dbraw/zinc/27/08/20/975270820.db2.gz PGPJIZPDUSLYLV-HIFPTAJRSA-N 1 2 222.332 2.344 20 30 BEEDLO C#CC[N@H+](CC1CC1)[C@H](C)C(=O)OC(C)(C)C ZINC000382472533 1167100587 /nfs/dbraw/zinc/10/05/87/1167100587.db2.gz DFEHAFVZUMWKLO-LLVKDONJSA-N 1 2 237.343 2.062 20 30 BEEDLO C#CC[N@@H+](CC1CC1)[C@H](C)C(=O)OC(C)(C)C ZINC000382472533 1167100589 /nfs/dbraw/zinc/10/05/89/1167100589.db2.gz DFEHAFVZUMWKLO-LLVKDONJSA-N 1 2 237.343 2.062 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1scnc1C1CC1 ZINC000308917388 1167219181 /nfs/dbraw/zinc/21/91/81/1167219181.db2.gz BLDIWMHVWAUGJC-MRVPVSSYSA-N 1 2 221.329 2.412 20 30 BEEDLO C=C[C@@H](COC)[NH2+]Cc1cccc(Cl)c1O ZINC000309503544 1167323293 /nfs/dbraw/zinc/32/32/93/1167323293.db2.gz AHBXIXMIOKQALD-JTQLQIEISA-N 1 2 241.718 2.336 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(CC)o1)CC1CC1 ZINC001335589621 977165160 /nfs/dbraw/zinc/16/51/60/977165160.db2.gz QHEYUGYTNYPJLP-UHFFFAOYSA-N 1 2 218.300 2.082 20 30 BEEDLO C#CC[N@H+](Cc1ncc(CC)o1)CC1CC1 ZINC001335589621 977165168 /nfs/dbraw/zinc/16/51/68/977165168.db2.gz QHEYUGYTNYPJLP-UHFFFAOYSA-N 1 2 218.300 2.082 20 30 BEEDLO C=C[C@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920568 977381267 /nfs/dbraw/zinc/38/12/67/977381267.db2.gz PGPLLLAKGBSRTM-VIFPVBQESA-N 1 2 217.268 2.321 20 30 BEEDLO Cc1[nH]cc(CN(CCC#N)C2CCCC2)[nH+]1 ZINC001232462482 978099249 /nfs/dbraw/zinc/09/92/49/978099249.db2.gz PUIIVNONWWYAEC-UHFFFAOYSA-N 1 2 232.331 2.376 20 30 BEEDLO Cc1nnn([NH+]=C[C@H]2CC[C@@H](C)C2)c1C ZINC001336980844 978107725 /nfs/dbraw/zinc/10/77/25/978107725.db2.gz IEAAHMGUXPSVCL-KCJUWKMLSA-N 1 2 206.293 2.165 20 30 BEEDLO C#CC1CCN(c2cc(F)cc(C)[nH+]2)CC1 ZINC001337203267 978214730 /nfs/dbraw/zinc/21/47/30/978214730.db2.gz OEVRHFAVKQVVCU-UHFFFAOYSA-N 1 2 218.275 2.379 20 30 BEEDLO C#CCNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001163371826 1168410015 /nfs/dbraw/zinc/41/00/15/1168410015.db2.gz AAEPUVHFZLFJTB-UHFFFAOYSA-N 1 2 215.231 2.057 20 30 BEEDLO C#C[C@@H]1CCCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001348237533 981313749 /nfs/dbraw/zinc/31/37/49/981313749.db2.gz YOJNNBJMHPIXFD-LLVKDONJSA-N 1 2 218.275 2.379 20 30 BEEDLO CCCC[C@H](CC)CN1CC[NH2+]C[C@H]1C#N ZINC000252562054 1168972514 /nfs/dbraw/zinc/97/25/14/1168972514.db2.gz WSHPJNQPRRGNPL-QWHCGFSZSA-N 1 2 223.364 2.000 20 30 BEEDLO C[C@H](C#C[Si](C)(C)C)OCc1c[nH+]cn1C ZINC001222599750 972597335 /nfs/dbraw/zinc/59/73/35/972597335.db2.gz FCEBUQYIJWZPJD-LLVKDONJSA-N 1 2 236.391 2.206 20 30 BEEDLO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001139878309 1169367582 /nfs/dbraw/zinc/36/75/82/1169367582.db2.gz HNILVDGUGAVEGN-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1cc(F)cc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC001139878309 1169367590 /nfs/dbraw/zinc/36/75/90/1169367590.db2.gz HNILVDGUGAVEGN-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO N#CCc1cc(-c2ccc[nH+]c2N)ccc1C#N ZINC001243474088 970765919 /nfs/dbraw/zinc/76/59/19/970765919.db2.gz JEWWHTXOVHLJML-UHFFFAOYSA-N 1 2 234.262 2.269 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC001204056502 1169471598 /nfs/dbraw/zinc/47/15/98/1169471598.db2.gz QDGQGEHJGPOSGF-CQSZACIVSA-N 1 2 244.294 2.151 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC001204056502 1169471600 /nfs/dbraw/zinc/47/16/00/1169471600.db2.gz QDGQGEHJGPOSGF-CQSZACIVSA-N 1 2 244.294 2.151 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+]1CC1CCSCC1 ZINC001207693328 1169497575 /nfs/dbraw/zinc/49/75/75/1169497575.db2.gz RHFVKVJJNICOFJ-NSHDSACASA-N 1 2 210.346 2.118 20 30 BEEDLO N#C[C@@H]1CCC[N@H+]1CC1CCSCC1 ZINC001207693328 1169497577 /nfs/dbraw/zinc/49/75/77/1169497577.db2.gz RHFVKVJJNICOFJ-NSHDSACASA-N 1 2 210.346 2.118 20 30 BEEDLO COC(=O)CC1CCC([NH2+]C(C)(C)C#N)CC1 ZINC001256974237 971054788 /nfs/dbraw/zinc/05/47/88/971054788.db2.gz QIDQAURAQIYHFC-UHFFFAOYSA-N 1 2 238.331 2.000 20 30 BEEDLO C#Cc1cc(Nc2cccc(OC)c2C#N)cc[nH+]1 ZINC001210122347 1169518005 /nfs/dbraw/zinc/51/80/05/1169518005.db2.gz SYLLOVAAIPIQBR-UHFFFAOYSA-N 1 2 249.273 2.109 20 30 BEEDLO N#CC1([NH2+][C@H]2CCCOCC2)CCCCC1 ZINC001170776742 971804567 /nfs/dbraw/zinc/80/45/67/971804567.db2.gz STZBATWHRROMCL-LBPRGKRZSA-N 1 2 222.332 2.372 20 30 BEEDLO C#Cc1cccc(C[N@H+]2CCC(=O)C[C@@H]2C)c1 ZINC001231657643 1169677833 /nfs/dbraw/zinc/67/78/33/1169677833.db2.gz LARLTBILMWZLLT-LBPRGKRZSA-N 1 2 227.307 2.221 20 30 BEEDLO C#Cc1cccc(C[N@@H+]2CCC(=O)C[C@@H]2C)c1 ZINC001231657643 1169677839 /nfs/dbraw/zinc/67/78/39/1169677839.db2.gz LARLTBILMWZLLT-LBPRGKRZSA-N 1 2 227.307 2.221 20 30 BEEDLO COc1c[nH+]c(NCCCS)c2[nH]ccc21 ZINC001171000777 972225345 /nfs/dbraw/zinc/22/53/45/972225345.db2.gz HAGOQGVPJLAVGH-UHFFFAOYSA-N 1 2 237.328 2.303 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](CCOCC2CCCC2)C1 ZINC000693121609 957683858 /nfs/dbraw/zinc/68/38/58/957683858.db2.gz RCRVUAAWUWUJNI-AWEZNQCLSA-N 1 2 236.359 2.429 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](CCOCC2CCCC2)C1 ZINC000693121609 957683875 /nfs/dbraw/zinc/68/38/75/957683875.db2.gz RCRVUAAWUWUJNI-AWEZNQCLSA-N 1 2 236.359 2.429 20 30 BEEDLO C#C[C@H](CCCCC)OCCn1cc[nH+]c1 ZINC001222134644 972380972 /nfs/dbraw/zinc/38/09/72/972380972.db2.gz IXGHMBHZKIXPLW-CYBMUJFWSA-N 1 2 220.316 2.482 20 30 BEEDLO N#C[C@@H](OCCn1cc[nH+]c1)c1cccc(F)c1 ZINC001222138950 972388337 /nfs/dbraw/zinc/38/83/37/972388337.db2.gz MMGPGFLVNFBSIW-CYBMUJFWSA-N 1 2 245.257 2.304 20 30 BEEDLO C#Cc1cc(Nc2ccc(CO)c(C)c2)cc[nH+]1 ZINC001211570811 959251729 /nfs/dbraw/zinc/25/17/29/959251729.db2.gz RTRFWNFNAAJUSY-UHFFFAOYSA-N 1 2 238.290 2.029 20 30 BEEDLO C=C(C)C(=O)NCCCNc1c[nH+]c(C)c(C)c1 ZINC001167670007 959345786 /nfs/dbraw/zinc/34/57/86/959345786.db2.gz XUAZQJMVPJOUGN-UHFFFAOYSA-N 1 2 247.342 2.193 20 30 BEEDLO C=CC[C@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001144017359 972482064 /nfs/dbraw/zinc/48/20/64/972482064.db2.gz KRTPGHMLBKZFOX-NWDGAFQWSA-N 1 2 247.342 2.328 20 30 BEEDLO CCN(CCC#N)Cc1ccn2cc[nH+]c2c1 ZINC001141044193 960249639 /nfs/dbraw/zinc/24/96/39/960249639.db2.gz AOBIYQKSWWQAOI-UHFFFAOYSA-N 1 2 228.299 2.070 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccn2ccnc2c1 ZINC001141044193 960249644 /nfs/dbraw/zinc/24/96/44/960249644.db2.gz AOBIYQKSWWQAOI-UHFFFAOYSA-N 1 2 228.299 2.070 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccn2ccnc2c1 ZINC001141044193 960249646 /nfs/dbraw/zinc/24/96/46/960249646.db2.gz AOBIYQKSWWQAOI-UHFFFAOYSA-N 1 2 228.299 2.070 20 30 BEEDLO C=C[C@H]([NH2+]CC1CCC2(CC2)CC1)C(=O)OC ZINC000695664235 960332784 /nfs/dbraw/zinc/33/27/84/960332784.db2.gz CIYXGIWCBIPQEN-LBPRGKRZSA-N 1 2 237.343 2.274 20 30 BEEDLO N#Cc1ccc(Cl)c(C[NH+]2CCC2)c1 ZINC001140599431 960450234 /nfs/dbraw/zinc/45/02/34/960450234.db2.gz CADDVYPMAQBQJF-UHFFFAOYSA-N 1 2 206.676 2.417 20 30 BEEDLO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)ccc1O ZINC001140577334 960439997 /nfs/dbraw/zinc/43/99/97/960439997.db2.gz FXQRLYAOCARJNC-CYBMUJFWSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)ccc1O ZINC001140577334 960440011 /nfs/dbraw/zinc/44/00/11/960440011.db2.gz FXQRLYAOCARJNC-CYBMUJFWSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@@H](C#N)C2)cc(C)c1O ZINC001140659315 960479592 /nfs/dbraw/zinc/47/95/92/960479592.db2.gz ZYBMIJGJNHEAGR-LBPRGKRZSA-N 1 2 230.311 2.355 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@@H](C#N)C2)cc(C)c1O ZINC001140659315 960479603 /nfs/dbraw/zinc/47/96/03/960479603.db2.gz ZYBMIJGJNHEAGR-LBPRGKRZSA-N 1 2 230.311 2.355 20 30 BEEDLO C[N@H+](CCF)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755518 960556053 /nfs/dbraw/zinc/55/60/53/960556053.db2.gz IVDBRXGDLVALLN-UHFFFAOYSA-N 1 2 228.217 2.238 20 30 BEEDLO C[N@@H+](CCF)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755518 960556065 /nfs/dbraw/zinc/55/60/65/960556065.db2.gz IVDBRXGDLVALLN-UHFFFAOYSA-N 1 2 228.217 2.238 20 30 BEEDLO N#C[C@@H]1CCCN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141045940 960837296 /nfs/dbraw/zinc/83/72/96/960837296.db2.gz GNDRZLYZHBYAEN-ZDUSSCGKSA-N 1 2 240.310 2.070 20 30 BEEDLO CO[C@H](C)C1C[NH+](Cc2ccc(F)cc2C#N)C1 ZINC001141167331 960898797 /nfs/dbraw/zinc/89/87/97/960898797.db2.gz HKEWFELTQPOCII-SNVBAGLBSA-N 1 2 248.301 2.164 20 30 BEEDLO CC1C[NH+](Cc2ccc(F)cc2C#N)C1 ZINC001141164240 960901884 /nfs/dbraw/zinc/90/18/84/960901884.db2.gz RRBCGOORDHLRAI-UHFFFAOYSA-N 1 2 204.248 2.149 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142689260 961619820 /nfs/dbraw/zinc/61/98/20/961619820.db2.gz BQYAXTRCDBBADK-LLVKDONJSA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc3nc[nH]c32)C1 ZINC001142689260 961619831 /nfs/dbraw/zinc/61/98/31/961619831.db2.gz BQYAXTRCDBBADK-LLVKDONJSA-N 1 2 240.310 2.298 20 30 BEEDLO CCCCN(CC#N)Cc1cccn2cc[nH+]c12 ZINC001142961675 961859070 /nfs/dbraw/zinc/85/90/70/961859070.db2.gz OSFLLJZEXHZZFV-UHFFFAOYSA-N 1 2 242.326 2.460 20 30 BEEDLO CCCn1c[nH+]cc1CN1CCC[C@](C)(C#N)C1 ZINC001204945857 962128535 /nfs/dbraw/zinc/12/85/35/962128535.db2.gz IFBNAPHMZICWJJ-CQSZACIVSA-N 1 2 246.358 2.419 20 30 BEEDLO N#Cc1ccc2cc[nH+]c(NCC3COC3)c2c1 ZINC001154634418 962820771 /nfs/dbraw/zinc/82/07/71/962820771.db2.gz SFLCLHXXXBXWAU-UHFFFAOYSA-N 1 2 239.278 2.165 20 30 BEEDLO Cc1c[nH+]c(NC2=CC(=O)CCC2)c(N)c1 ZINC001155709793 963163283 /nfs/dbraw/zinc/16/32/83/963163283.db2.gz BDROSJSFRKUXLQ-UHFFFAOYSA-N 1 2 217.272 2.021 20 30 BEEDLO CCOc1cc[nH+]c(NC(C)=CC(C)=O)c1 ZINC001155890119 963193907 /nfs/dbraw/zinc/19/39/07/963193907.db2.gz DLZSOYAPDZMJJR-CLFYSBASSA-N 1 2 220.272 2.385 20 30 BEEDLO N#CCc1cc[nH+]c(N2CCC[C@H]3C[C@H]32)c1 ZINC001157142711 963542779 /nfs/dbraw/zinc/54/27/79/963542779.db2.gz FHKVFVINGZEYSA-NWDGAFQWSA-N 1 2 213.284 2.136 20 30 BEEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@@H]4C[C@@H]43)c12 ZINC001157143297 963545146 /nfs/dbraw/zinc/54/51/46/963545146.db2.gz HGXYVAYDLLHOAF-SKDRFNHKSA-N 1 2 238.294 2.423 20 30 BEEDLO Cc1cc2[nH]ccc2c(N2C[C@@H](F)C[C@H]2C#N)[nH+]1 ZINC001157479958 963628408 /nfs/dbraw/zinc/62/84/08/963628408.db2.gz RDQPEUYDHBKLHP-UWVGGRQHSA-N 1 2 244.273 2.312 20 30 BEEDLO CC1CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001168204158 963979977 /nfs/dbraw/zinc/97/99/77/963979977.db2.gz AYXJERCZYVDMJN-UHFFFAOYSA-N 1 2 222.332 2.227 20 30 BEEDLO CC(C)[C@H](CO)Nc1cc(C2(C#N)CC2)cc[nH+]1 ZINC001161740667 964726987 /nfs/dbraw/zinc/72/69/87/964726987.db2.gz OXXIFWBTDQJVEF-LBPRGKRZSA-N 1 2 245.326 2.066 20 30 BEEDLO N#CCc1ccc(NCCC2CCOCC2)[nH+]c1 ZINC001162217306 964875359 /nfs/dbraw/zinc/87/53/59/964875359.db2.gz OTQRIHUCGGLWJN-UHFFFAOYSA-N 1 2 245.326 2.376 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001030366115 965244507 /nfs/dbraw/zinc/24/45/07/965244507.db2.gz PISZJHASDDHGHJ-HNNXBMFYSA-N 1 2 248.370 2.109 20 30 BEEDLO Cn1c[nH+]cc1-c1cccc(NCC#N)c1 ZINC001163186564 965289189 /nfs/dbraw/zinc/28/91/89/965289189.db2.gz GBKRMCFILGNJMM-UHFFFAOYSA-N 1 2 212.256 2.023 20 30 BEEDLO C#CCNc1cc(CCC)[nH+]c(CCC)n1 ZINC001163362433 965365183 /nfs/dbraw/zinc/36/51/83/965365183.db2.gz VLBGSOZFCRDAJS-UHFFFAOYSA-N 1 2 217.316 2.427 20 30 BEEDLO C#CCNc1cc2cc(F)ccc2c[nH+]1 ZINC001163362913 965365215 /nfs/dbraw/zinc/36/52/15/965365215.db2.gz BRNFYPKDUZASKS-UHFFFAOYSA-N 1 2 200.216 2.419 20 30 BEEDLO C#CCNc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001163368093 965371390 /nfs/dbraw/zinc/37/13/90/965371390.db2.gz PKKICRFYIJPZBV-UHFFFAOYSA-N 1 2 226.323 2.431 20 30 BEEDLO CNc1ccc(Nc2cc(C#N)cnc2C)c[nH+]1 ZINC001203449859 965497932 /nfs/dbraw/zinc/49/79/32/965497932.db2.gz NPOIHZQCZRAXHI-UHFFFAOYSA-N 1 2 239.282 2.442 20 30 BEEDLO C[C@@H]1CCN(c2cc(CC#N)cc[nH+]2)C[C@H]1F ZINC001164177305 965778979 /nfs/dbraw/zinc/77/89/79/965778979.db2.gz HMEPBPCKRJTGHK-ZYHUDNBSSA-N 1 2 233.290 2.332 20 30 BEEDLO COCC#CCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919143571 966295728 /nfs/dbraw/zinc/29/57/28/966295728.db2.gz KYOWZSJNCULCPN-UHFFFAOYSA-N 1 2 240.306 2.124 20 30 BEEDLO C#C[C@@H]1CCCN(c2ccc(Cl)c(N)[nH+]2)C1 ZINC001167008228 966520344 /nfs/dbraw/zinc/52/03/44/966520344.db2.gz VIHUGKIECYJPGF-SECBINFHSA-N 1 2 235.718 2.167 20 30 BEEDLO CNc1ccc(Nc2onc(C)c2C#N)c[nH+]1 ZINC001203448338 966650639 /nfs/dbraw/zinc/65/06/39/966650639.db2.gz XWQMGAPCJYSUII-UHFFFAOYSA-N 1 2 229.243 2.035 20 30 BEEDLO Cc1c[nH+]c(C)c(Nc2c(C#N)ncn2C)c1 ZINC001203656928 966723094 /nfs/dbraw/zinc/72/30/94/966723094.db2.gz DDTLSFSHRIXPAB-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO N#C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664010 966729041 /nfs/dbraw/zinc/72/90/41/966729041.db2.gz LDMIDGNGGJKSKN-SECBINFHSA-N 1 2 236.702 2.391 20 30 BEEDLO N#C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203664010 966729054 /nfs/dbraw/zinc/72/90/54/966729054.db2.gz LDMIDGNGGJKSKN-SECBINFHSA-N 1 2 236.702 2.391 20 30 BEEDLO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001203899838 966817529 /nfs/dbraw/zinc/81/75/29/966817529.db2.gz DLIZFXHXPBXBKV-NSHDSACASA-N 1 2 228.295 2.112 20 30 BEEDLO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001203899838 966817532 /nfs/dbraw/zinc/81/75/32/966817532.db2.gz DLIZFXHXPBXBKV-NSHDSACASA-N 1 2 228.295 2.112 20 30 BEEDLO C=CCOc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001204303687 966966059 /nfs/dbraw/zinc/96/60/59/966966059.db2.gz QCZHYTJERCBUQQ-GASCZTMLSA-N 1 2 245.322 2.225 20 30 BEEDLO C=CCOc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001204303687 966966068 /nfs/dbraw/zinc/96/60/68/966966068.db2.gz QCZHYTJERCBUQQ-GASCZTMLSA-N 1 2 245.322 2.225 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1F ZINC001204368362 966979056 /nfs/dbraw/zinc/97/90/56/966979056.db2.gz OKRBYXIZYMNENU-MFKMUULPSA-N 1 2 218.275 2.348 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1F ZINC001204368362 966979063 /nfs/dbraw/zinc/97/90/63/966979063.db2.gz OKRBYXIZYMNENU-MFKMUULPSA-N 1 2 218.275 2.348 20 30 BEEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccs1 ZINC001204548113 967047669 /nfs/dbraw/zinc/04/76/69/967047669.db2.gz YGLHZMARCSKSGS-RTCCRHLQSA-N 1 2 233.340 2.410 20 30 BEEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccs1 ZINC001204548113 967047682 /nfs/dbraw/zinc/04/76/82/967047682.db2.gz YGLHZMARCSKSGS-RTCCRHLQSA-N 1 2 233.340 2.410 20 30 BEEDLO N#Cc1cc(Nc2ccc[nH+]c2N)c(O)cc1F ZINC001212406326 967072447 /nfs/dbraw/zinc/07/24/47/967072447.db2.gz ZPIPEVLRCGJCJX-UHFFFAOYSA-N 1 2 244.229 2.124 20 30 BEEDLO N#CCc1ccncc1-c1ccc2[nH+]ccn2c1 ZINC001240218953 967427044 /nfs/dbraw/zinc/42/70/44/967427044.db2.gz RAMRWRIBTDWFML-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(C)cc1OCC ZINC001250186075 967495064 /nfs/dbraw/zinc/49/50/64/967495064.db2.gz FDOCYSYJIFOYTA-UHFFFAOYSA-N 1 2 241.334 2.462 20 30 BEEDLO C[N@H+](Cc1ccno1)Cc1ccc(F)c(C#N)c1 ZINC001205496602 967645347 /nfs/dbraw/zinc/64/53/47/967645347.db2.gz GXSDLHZUZNIOEU-UHFFFAOYSA-N 1 2 245.257 2.317 20 30 BEEDLO C[N@@H+](Cc1ccno1)Cc1ccc(F)c(C#N)c1 ZINC001205496602 967645358 /nfs/dbraw/zinc/64/53/58/967645358.db2.gz GXSDLHZUZNIOEU-UHFFFAOYSA-N 1 2 245.257 2.317 20 30 BEEDLO Cc1cc(CCn2cc[nH+]c2)ccc1C#N ZINC001250318634 967687495 /nfs/dbraw/zinc/68/74/95/967687495.db2.gz HSKFYFGDKWCNFZ-UHFFFAOYSA-N 1 2 211.268 2.306 20 30 BEEDLO C=CCN1CC[NH+](Cc2cc(C)ccc2F)CC1 ZINC001205648961 967740652 /nfs/dbraw/zinc/74/06/52/967740652.db2.gz XBKHSGPOPAGNTF-UHFFFAOYSA-N 1 2 248.345 2.438 20 30 BEEDLO COC(=O)C1(C)CCC([NH2+]C(C)(C)C#N)CC1 ZINC001168750984 967767455 /nfs/dbraw/zinc/76/74/55/967767455.db2.gz OVMFTZAWYALAQI-UHFFFAOYSA-N 1 2 238.331 2.000 20 30 BEEDLO N#Cc1cc(F)cc(C[NH+]2CCSCC2)c1 ZINC000163537268 967812341 /nfs/dbraw/zinc/81/23/41/967812341.db2.gz JDURUOFXDOQCMG-UHFFFAOYSA-N 1 2 236.315 2.246 20 30 BEEDLO C#CCNc1cc[nH+]c2c(OC)cccc12 ZINC001163367931 968027183 /nfs/dbraw/zinc/02/71/83/968027183.db2.gz KYSFRXCRJJGOKR-UHFFFAOYSA-N 1 2 212.252 2.289 20 30 BEEDLO C#CCNc1cc[nH+]c(OCC(C)C)c1 ZINC001163368311 968028785 /nfs/dbraw/zinc/02/87/85/968028785.db2.gz VKQPPPYVBOJPJX-UHFFFAOYSA-N 1 2 204.273 2.162 20 30 BEEDLO Cc1cc(C#N)cc(NCc2ccc[nH+]c2N)c1 ZINC001206270523 968186680 /nfs/dbraw/zinc/18/66/80/968186680.db2.gz NYCWVXGRCDCXRA-UHFFFAOYSA-N 1 2 238.294 2.456 20 30 BEEDLO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)no1 ZINC001206819828 968488328 /nfs/dbraw/zinc/48/83/28/968488328.db2.gz RREYEEXWOPJKMG-UOJUARBOSA-N 1 2 231.299 2.250 20 30 BEEDLO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)no1 ZINC001206819828 968488332 /nfs/dbraw/zinc/48/83/32/968488332.db2.gz RREYEEXWOPJKMG-UOJUARBOSA-N 1 2 231.299 2.250 20 30 BEEDLO N#CCC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086036513 968513124 /nfs/dbraw/zinc/51/31/24/968513124.db2.gz MHNQAXFDZRZPKL-UHFFFAOYSA-N 1 2 225.295 2.114 20 30 BEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2ncccc2F)C1 ZINC001207032662 968564016 /nfs/dbraw/zinc/56/40/16/968564016.db2.gz LBHAMKRAURYTHR-NSHDSACASA-N 1 2 233.290 2.346 20 30 BEEDLO N#CC[C@@H]1CCC[N@H+](Cc2ncccc2F)C1 ZINC001207032662 968564022 /nfs/dbraw/zinc/56/40/22/968564022.db2.gz LBHAMKRAURYTHR-NSHDSACASA-N 1 2 233.290 2.346 20 30 BEEDLO N#CCC[N@@H+](Cc1cccc(=O)[nH]1)C1CCCC1 ZINC001207068717 968601221 /nfs/dbraw/zinc/60/12/21/968601221.db2.gz CQBKHXNSAFMSKJ-UHFFFAOYSA-N 1 2 245.326 2.445 20 30 BEEDLO N#CCC[N@H+](Cc1cccc(=O)[nH]1)C1CCCC1 ZINC001207068717 968601226 /nfs/dbraw/zinc/60/12/26/968601226.db2.gz CQBKHXNSAFMSKJ-UHFFFAOYSA-N 1 2 245.326 2.445 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207097423 968629671 /nfs/dbraw/zinc/62/96/71/968629671.db2.gz QGYNACOKGAYBQX-JTQLQIEISA-N 1 2 236.265 2.205 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207097423 968629676 /nfs/dbraw/zinc/62/96/76/968629676.db2.gz QGYNACOKGAYBQX-JTQLQIEISA-N 1 2 236.265 2.205 20 30 BEEDLO Cc1nccc(C[N@H+](CCC#N)C2CCCC2)n1 ZINC001207165797 968674682 /nfs/dbraw/zinc/67/46/82/968674682.db2.gz HUMNFQDCNHOABD-UHFFFAOYSA-N 1 2 244.342 2.443 20 30 BEEDLO Cc1nccc(C[N@@H+](CCC#N)C2CCCC2)n1 ZINC001207165797 968674688 /nfs/dbraw/zinc/67/46/88/968674688.db2.gz HUMNFQDCNHOABD-UHFFFAOYSA-N 1 2 244.342 2.443 20 30 BEEDLO C=CC[NH+]1CCN(CCc2cccc(C)c2)CC1 ZINC001207538358 968818007 /nfs/dbraw/zinc/81/80/07/968818007.db2.gz FAIPLNCYIBITGS-UHFFFAOYSA-N 1 2 244.382 2.341 20 30 BEEDLO C=CCC[C@H](O)CNc1cc[nH+]c(OCC)c1 ZINC001252591696 968848921 /nfs/dbraw/zinc/84/89/21/968848921.db2.gz ZQOPNUDHYCWCII-LBPRGKRZSA-N 1 2 236.315 2.219 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168999771 969326216 /nfs/dbraw/zinc/32/62/16/969326216.db2.gz VMMLCFZCEXOFHT-QJPTWQEYSA-N 1 2 239.319 2.104 20 30 BEEDLO C[C@@H]1C[C@@H](C[NH+]2CC(C)(C#N)C2)C[C@H](C)O1 ZINC001209377419 969453284 /nfs/dbraw/zinc/45/32/84/969453284.db2.gz BKFADMRCLREYLL-ZSBIGDGJSA-N 1 2 222.332 2.035 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)[nH]1 ZINC001209576621 969562467 /nfs/dbraw/zinc/56/24/67/969562467.db2.gz ZYSFWLFZJAHEIE-GFCCVEGCSA-N 1 2 203.289 2.059 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)[nH]1 ZINC001209576621 969562471 /nfs/dbraw/zinc/56/24/71/969562471.db2.gz ZYSFWLFZJAHEIE-GFCCVEGCSA-N 1 2 203.289 2.059 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)[nH]1 ZINC001209576625 969562654 /nfs/dbraw/zinc/56/26/54/969562654.db2.gz ZYSFWLFZJAHEIE-LBPRGKRZSA-N 1 2 203.289 2.059 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)[nH]1 ZINC001209576625 969562658 /nfs/dbraw/zinc/56/26/58/969562658.db2.gz ZYSFWLFZJAHEIE-LBPRGKRZSA-N 1 2 203.289 2.059 20 30 BEEDLO COc1cc[nH+]c(Nc2cncc(C#N)c2)c1 ZINC001210083683 969792368 /nfs/dbraw/zinc/79/23/68/969792368.db2.gz UCFQDZSKMXTUCH-UHFFFAOYSA-N 1 2 226.239 2.100 20 30 BEEDLO C#C[C@](C)(CC)Nc1nc(N(C)CC)c(C)c[nH+]1 ZINC001169689572 969811929 /nfs/dbraw/zinc/81/19/29/969811929.db2.gz LMCIQCQKHSIFJG-CQSZACIVSA-N 1 2 246.358 2.455 20 30 BEEDLO C#C[C@](C)(CC)Nc1cc(N2CCCC2)nc[nH+]1 ZINC001169692150 969814163 /nfs/dbraw/zinc/81/41/63/969814163.db2.gz KVSROMQOLPRYGD-CQSZACIVSA-N 1 2 244.342 2.291 20 30 BEEDLO C#C[C@](C)(CC)Nc1cc(N2CCCC2)[nH+]cn1 ZINC001169692150 969814168 /nfs/dbraw/zinc/81/41/68/969814168.db2.gz KVSROMQOLPRYGD-CQSZACIVSA-N 1 2 244.342 2.291 20 30 BEEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](C=C)CO ZINC001169779312 969851356 /nfs/dbraw/zinc/85/13/56/969851356.db2.gz DFNHUBOGJMQDTD-LBPRGKRZSA-N 1 2 218.300 2.077 20 30 BEEDLO C=C[C@@H](CO)Nc1cc(C)c(C(F)(F)F)c[nH+]1 ZINC001169780236 969854612 /nfs/dbraw/zinc/85/46/12/969854612.db2.gz OIHNGCUJPYAGRJ-QMMMGPOBSA-N 1 2 246.232 2.368 20 30 BEEDLO Cc1[nH+]cc(Nc2ccc(O)c(C#N)c2)cc1N ZINC001210289489 969856498 /nfs/dbraw/zinc/85/64/98/969856498.db2.gz NUSOHLMYYKDHAS-UHFFFAOYSA-N 1 2 240.266 2.293 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCSCC1 ZINC001255080789 969873840 /nfs/dbraw/zinc/87/38/40/969873840.db2.gz DFRMOEXULOUBBB-LLVKDONJSA-N 1 2 212.362 2.410 20 30 BEEDLO C#Cc1cc(Nc2cccc([C@@H](C)O)c2)cc[nH+]1 ZINC001210503772 969914201 /nfs/dbraw/zinc/91/42/01/969914201.db2.gz OAPKWMPIVWSUMI-LLVKDONJSA-N 1 2 238.290 2.282 20 30 BEEDLO Cc1cc(O)c[nH+]c1Nc1ccc(O)c(C#N)c1 ZINC001210527602 969927812 /nfs/dbraw/zinc/92/78/12/969927812.db2.gz NQWFYRFSTFMORJ-UHFFFAOYSA-N 1 2 241.250 2.417 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H](CO)c1ccc(OC)cc1 ZINC001255156330 969965093 /nfs/dbraw/zinc/96/50/93/969965093.db2.gz ZXYPANOAMBJBDV-GXTWGEPZSA-N 1 2 248.326 2.010 20 30 BEEDLO CC[C@@H](CC#N)[N@H+](C)C1CC(F)(F)C1 ZINC001255163693 969972858 /nfs/dbraw/zinc/97/28/58/969972858.db2.gz CFYLDZMRLFLZRE-QMMMGPOBSA-N 1 2 202.248 2.408 20 30 BEEDLO CC[C@@H](CC#N)[N@@H+](C)C1CC(F)(F)C1 ZINC001255163693 969972868 /nfs/dbraw/zinc/97/28/68/969972868.db2.gz CFYLDZMRLFLZRE-QMMMGPOBSA-N 1 2 202.248 2.408 20 30 BEEDLO CC[C@](C)(C#N)[NH2+]C1CCC(OC)CC1 ZINC001255450251 970184345 /nfs/dbraw/zinc/18/43/45/970184345.db2.gz PDGVMTQANNVGAD-HTAVTVPLSA-N 1 2 210.321 2.226 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)CCCC)CC1 ZINC001112818307 970189095 /nfs/dbraw/zinc/18/90/95/970189095.db2.gz ACKMMKIZWPDVNG-ZDUSSCGKSA-N 1 2 238.375 2.143 20 30 BEEDLO N#CCc1cc[nH+]c(NCCOC(F)(F)F)c1 ZINC001157391346 970234971 /nfs/dbraw/zinc/23/49/71/970234971.db2.gz XZQPMFPFKPGYKV-UHFFFAOYSA-N 1 2 245.204 2.096 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc(C#N)c2[nH]ccc21 ZINC001243069790 970259935 /nfs/dbraw/zinc/25/99/35/970259935.db2.gz AKHJNXCMTQBBLZ-UHFFFAOYSA-N 1 2 222.251 2.440 20 30 BEEDLO N#Cc1ccn(-c2ccc(-c3[nH]cc[nH+]3)cc2)c1N ZINC001213087000 970274929 /nfs/dbraw/zinc/27/49/29/970274929.db2.gz GPPWLLQHKZGYQF-UHFFFAOYSA-N 1 2 249.277 2.321 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)C2(CC=C)CCC2)CC1 ZINC001113312588 970406722 /nfs/dbraw/zinc/40/67/22/970406722.db2.gz CUIBJKMTYJSFIR-UHFFFAOYSA-N 1 2 248.370 2.063 20 30 BEEDLO CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2C#N)CCO1 ZINC001170226265 970627578 /nfs/dbraw/zinc/62/75/78/970627578.db2.gz IDWBCQQANHZGFB-YNEHKIRRSA-N 1 2 222.332 2.322 20 30 BEEDLO CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C#N)CCO1 ZINC001170226265 970627583 /nfs/dbraw/zinc/62/75/83/970627583.db2.gz IDWBCQQANHZGFB-YNEHKIRRSA-N 1 2 222.332 2.322 20 30 BEEDLO C=CCCCNc1cc(N(C)CC)nc[nH+]1 ZINC001170298473 970675564 /nfs/dbraw/zinc/67/55/64/970675564.db2.gz CKMCFCJMAACSLE-UHFFFAOYSA-N 1 2 220.320 2.311 20 30 BEEDLO C=CCCCNc1cc(N(C)CC)[nH+]cn1 ZINC001170298473 970675571 /nfs/dbraw/zinc/67/55/71/970675571.db2.gz CKMCFCJMAACSLE-UHFFFAOYSA-N 1 2 220.320 2.311 20 30 BEEDLO C#C[C@H](OCc1c[nH+]cn1C)c1ccccc1 ZINC001222595242 972591973 /nfs/dbraw/zinc/59/19/73/972591973.db2.gz UVEWQPTVOFVHPT-AWEZNQCLSA-N 1 2 226.279 2.311 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc2cc[nH]c2n1 ZINC001144179741 972654458 /nfs/dbraw/zinc/65/44/58/972654458.db2.gz RIGFTTQQSMMDGE-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc2cc[nH]c2n1 ZINC001144179741 972654460 /nfs/dbraw/zinc/65/44/60/972654460.db2.gz RIGFTTQQSMMDGE-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO C#Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)cc1 ZINC001144568581 972877723 /nfs/dbraw/zinc/87/77/23/972877723.db2.gz YXAWWIPLQLWMAY-LBPRGKRZSA-N 1 2 227.307 2.079 20 30 BEEDLO C#Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C2)cc1 ZINC001144568581 972877727 /nfs/dbraw/zinc/87/77/27/972877727.db2.gz YXAWWIPLQLWMAY-LBPRGKRZSA-N 1 2 227.307 2.079 20 30 BEEDLO C#Cc1ccc(C[N@@H+]2CCC(=O)[C@H](F)CC2)cc1 ZINC001144568459 972878318 /nfs/dbraw/zinc/87/83/18/972878318.db2.gz VRTPZSOQZRNBCC-CQSZACIVSA-N 1 2 245.297 2.171 20 30 BEEDLO C#Cc1ccc(C[N@H+]2CCC(=O)[C@H](F)CC2)cc1 ZINC001144568459 972878322 /nfs/dbraw/zinc/87/83/22/972878322.db2.gz VRTPZSOQZRNBCC-CQSZACIVSA-N 1 2 245.297 2.171 20 30 BEEDLO C=CC[N@@H+](C)Cc1cc(F)c(O)cc1F ZINC001144658428 972921890 /nfs/dbraw/zinc/92/18/90/972921890.db2.gz WDEYJYVPVFBDLQ-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO C=CC[N@H+](C)Cc1cc(F)c(O)cc1F ZINC001144658428 972921900 /nfs/dbraw/zinc/92/19/00/972921900.db2.gz WDEYJYVPVFBDLQ-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO CC(C)C[C@H](C)C[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246590880 972991117 /nfs/dbraw/zinc/99/11/17/972991117.db2.gz DMEKIPWYMPSDIQ-MJBXVCDLSA-N 1 2 237.391 2.245 20 30 BEEDLO CCC[C@H](C)CC[C@H](C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246836103 973132566 /nfs/dbraw/zinc/13/25/66/973132566.db2.gz MUJXVXGJFBJIDU-MELADBBJSA-N 1 2 237.391 2.389 20 30 BEEDLO CCC[C@H](C)CC[C@H](C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246836103 973132584 /nfs/dbraw/zinc/13/25/84/973132584.db2.gz MUJXVXGJFBJIDU-MELADBBJSA-N 1 2 237.391 2.389 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)CC2=CCCCC2)CC1 ZINC001146736055 973244435 /nfs/dbraw/zinc/24/44/35/973244435.db2.gz WHWKIWFOIBDXDL-UHFFFAOYSA-N 1 2 248.370 2.207 20 30 BEEDLO Cc1nnn([NH+]=C[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1C ZINC001331336408 974688268 /nfs/dbraw/zinc/68/82/68/974688268.db2.gz QEKOKBLWYNEOSP-AGIUHOORSA-N 1 2 230.315 2.331 20 30 BEEDLO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001172491581 974836830 /nfs/dbraw/zinc/83/68/30/974836830.db2.gz FHSGQGRVIJUUAO-WDEREUQCSA-N 1 2 226.295 2.072 20 30 BEEDLO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001172491581 974836832 /nfs/dbraw/zinc/83/68/32/974836832.db2.gz FHSGQGRVIJUUAO-WDEREUQCSA-N 1 2 226.295 2.072 20 30 BEEDLO Cc1nnn([NH+]=CC2(C(C)C)CC2)c1C ZINC001331982664 974905746 /nfs/dbraw/zinc/90/57/46/974905746.db2.gz FRTSWHGNAHCXAE-UHFFFAOYSA-N 1 2 206.293 2.165 20 30 BEEDLO CC[C@](C)(C#N)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC001172916673 974965950 /nfs/dbraw/zinc/96/59/50/974965950.db2.gz CMTJNQVDGLIVNS-GRYCIOLGSA-N 1 2 210.321 2.226 20 30 BEEDLO CO[C@H]1CCC[C@H]([NH2+]C2(C#N)CCCC2)C1 ZINC001172918831 974968559 /nfs/dbraw/zinc/96/85/59/974968559.db2.gz NALNUCVTIOKWRN-RYUDHWBXSA-N 1 2 222.332 2.370 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001173169408 975059460 /nfs/dbraw/zinc/05/94/60/975059460.db2.gz BMQGJHYYUTWLBI-QJPTWQEYSA-N 1 2 210.321 2.082 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CC[C@H](CC)C1 ZINC001173264149 975120699 /nfs/dbraw/zinc/12/06/99/975120699.db2.gz LXZAXVUREBCOEE-AXFHLTTASA-N 1 2 245.388 2.016 20 30 BEEDLO C[C@@H](c1ncccn1)[NH+]1CCC(C)(C#N)CC1 ZINC001332743657 975277569 /nfs/dbraw/zinc/27/75/69/975277569.db2.gz JICWQTGTUDMLIQ-NSHDSACASA-N 1 2 230.315 2.163 20 30 BEEDLO CC(C)(C#N)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173584696 975423684 /nfs/dbraw/zinc/42/36/84/975423684.db2.gz GZKQFRZUMDYIFV-UHFFFAOYSA-N 1 2 205.305 2.351 20 30 BEEDLO CC1(C#N)CCC([NH2+]C2(C#N)CCOCC2)CC1 ZINC001173590564 975443890 /nfs/dbraw/zinc/44/38/90/975443890.db2.gz BTJJEUHIUBXPAB-UHFFFAOYSA-N 1 2 247.342 2.121 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1cn(C(C)C)nn1 ZINC001333937403 976171910 /nfs/dbraw/zinc/17/19/10/976171910.db2.gz APRIFZFDRVCXKA-LBPRGKRZSA-N 1 2 220.320 2.009 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1cn(C(C)C)nn1 ZINC001333937403 976171917 /nfs/dbraw/zinc/17/19/17/976171917.db2.gz APRIFZFDRVCXKA-LBPRGKRZSA-N 1 2 220.320 2.009 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1noc2c1COCC2 ZINC001334887953 976772716 /nfs/dbraw/zinc/77/27/16/976772716.db2.gz KCBNYSNAKCCVFV-NSHDSACASA-N 1 2 248.326 2.288 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1noc2c1COCC2 ZINC001334887953 976772727 /nfs/dbraw/zinc/77/27/27/976772727.db2.gz KCBNYSNAKCCVFV-NSHDSACASA-N 1 2 248.326 2.288 20 30 BEEDLO C=CCc1ccc(O)c(OC2C[NH+](CC)C2)c1 ZINC001229342375 976841420 /nfs/dbraw/zinc/84/14/20/976841420.db2.gz QVCXDJDCIQWZLP-UHFFFAOYSA-N 1 2 233.311 2.204 20 30 BEEDLO C#CC1(F)CN(c2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC001335074307 976843541 /nfs/dbraw/zinc/84/35/41/976843541.db2.gz XEMJGFBDWWUFSS-UHFFFAOYSA-N 1 2 245.301 2.214 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cnccc23)C1 ZINC001231521090 977631427 /nfs/dbraw/zinc/63/14/27/977631427.db2.gz HQQLHWQHXZNWBU-NSHDSACASA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cnccc23)C1 ZINC001231521090 977631436 /nfs/dbraw/zinc/63/14/36/977631436.db2.gz HQQLHWQHXZNWBU-NSHDSACASA-N 1 2 240.310 2.298 20 30 BEEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001231617104 977645911 /nfs/dbraw/zinc/64/59/11/977645911.db2.gz WBYOLZZPYJVESJ-ZWNOBZJWSA-N 1 2 248.301 2.499 20 30 BEEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](F)C[C@H]1C ZINC001231617104 977645916 /nfs/dbraw/zinc/64/59/16/977645916.db2.gz WBYOLZZPYJVESJ-ZWNOBZJWSA-N 1 2 248.301 2.499 20 30 BEEDLO C#Cc1cc(Nc2cc(F)cc(C#N)c2)cc[nH+]1 ZINC001175679517 977652576 /nfs/dbraw/zinc/65/25/76/977652576.db2.gz MTDTTWINZIEZRQ-UHFFFAOYSA-N 1 2 237.237 2.239 20 30 BEEDLO C=C(C)CCC(=O)N(C)CCCn1cc[nH+]c1 ZINC001336405456 977663771 /nfs/dbraw/zinc/66/37/71/977663771.db2.gz SAKLMAJFRSWUCV-UHFFFAOYSA-N 1 2 235.331 2.088 20 30 BEEDLO CC(=O)Nc1ccc(C[N@H+](C)CCC#N)c(C)c1 ZINC001232184661 977908565 /nfs/dbraw/zinc/90/85/65/977908565.db2.gz QVMVTRHRIDGTEL-UHFFFAOYSA-N 1 2 245.326 2.299 20 30 BEEDLO CC(=O)Nc1ccc(C[N@@H+](C)CCC#N)c(C)c1 ZINC001232184661 977908576 /nfs/dbraw/zinc/90/85/76/977908576.db2.gz QVMVTRHRIDGTEL-UHFFFAOYSA-N 1 2 245.326 2.299 20 30 BEEDLO COc1cc[nH+]cc1Nc1cncc(C#N)c1 ZINC001176116861 977947514 /nfs/dbraw/zinc/94/75/14/977947514.db2.gz NNMLXLVYIDIBEC-UHFFFAOYSA-N 1 2 226.239 2.100 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(C(F)(F)F)o1 ZINC001232445353 978080148 /nfs/dbraw/zinc/08/01/48/978080148.db2.gz PBNWXQFPPLHPRH-UHFFFAOYSA-N 1 2 217.190 2.363 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(C(F)(F)F)o1 ZINC001232445353 978080159 /nfs/dbraw/zinc/08/01/59/978080159.db2.gz PBNWXQFPPLHPRH-UHFFFAOYSA-N 1 2 217.190 2.363 20 30 BEEDLO Cc1[nH]c(CN(CCC#N)C2CCCC2)c[nH+]1 ZINC001232462482 978099232 /nfs/dbraw/zinc/09/92/32/978099232.db2.gz PUIIVNONWWYAEC-UHFFFAOYSA-N 1 2 232.331 2.376 20 30 BEEDLO Cc1nnn([NH+]=C[C@@H]2CC[C@@H](C)C2)c1C ZINC001336980846 978103719 /nfs/dbraw/zinc/10/37/19/978103719.db2.gz IEAAHMGUXPSVCL-LDYMZIIASA-N 1 2 206.293 2.165 20 30 BEEDLO Cc1nnn([NH+]=C[C@@H]2CC=CCC2)c1C ZINC001336995999 978117219 /nfs/dbraw/zinc/11/72/19/978117219.db2.gz VPJFOCPMYHEBNP-LLVKDONJSA-N 1 2 204.277 2.085 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001232479030 978130959 /nfs/dbraw/zinc/13/09/59/978130959.db2.gz LZZPIQMYSUSYKO-UHFFFAOYSA-N 1 2 240.310 2.079 20 30 BEEDLO C#Cc1cc(Nc2ccc(F)c(C#N)c2)cc[nH+]1 ZINC001176610774 978136035 /nfs/dbraw/zinc/13/60/35/978136035.db2.gz HAAQVZTVKVKNNK-UHFFFAOYSA-N 1 2 237.237 2.239 20 30 BEEDLO CCOc1ccnc(C[NH+]2CCC(C#N)CC2)c1 ZINC001232579661 978185002 /nfs/dbraw/zinc/18/50/02/978185002.db2.gz PTEDGFMTMCFIIS-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1cccc(C)c1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001232625014 978200878 /nfs/dbraw/zinc/20/08/78/978200878.db2.gz JTEGUIHMCZJKRE-LBPRGKRZSA-N 1 2 230.311 2.349 20 30 BEEDLO COc1cccc(C)c1C[N@H+]1CC[C@@H](C#N)C1 ZINC001232625014 978200886 /nfs/dbraw/zinc/20/08/86/978200886.db2.gz JTEGUIHMCZJKRE-LBPRGKRZSA-N 1 2 230.311 2.349 20 30 BEEDLO CC1CC([N@H+](C)Cc2cc(C#N)ccc2O)C1 ZINC001232673697 978233429 /nfs/dbraw/zinc/23/34/29/978233429.db2.gz LGKPOXNKAHPSPZ-UHFFFAOYSA-N 1 2 230.311 2.494 20 30 BEEDLO CC1CC([N@@H+](C)Cc2cc(C#N)ccc2O)C1 ZINC001232673697 978233441 /nfs/dbraw/zinc/23/34/41/978233441.db2.gz LGKPOXNKAHPSPZ-UHFFFAOYSA-N 1 2 230.311 2.494 20 30 BEEDLO C[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232673419 978233875 /nfs/dbraw/zinc/23/38/75/978233875.db2.gz FTUYMJGOORNQIA-JTQLQIEISA-N 1 2 216.284 2.248 20 30 BEEDLO C[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1O ZINC001232673419 978233885 /nfs/dbraw/zinc/23/38/85/978233885.db2.gz FTUYMJGOORNQIA-JTQLQIEISA-N 1 2 216.284 2.248 20 30 BEEDLO CC[N@H+](Cc1cc(C#N)ccc1O)C1CC1 ZINC001232673205 978235215 /nfs/dbraw/zinc/23/52/15/978235215.db2.gz CMNYBFCFPHXEPN-UHFFFAOYSA-N 1 2 216.284 2.248 20 30 BEEDLO CC[N@@H+](Cc1cc(C#N)ccc1O)C1CC1 ZINC001232673205 978235226 /nfs/dbraw/zinc/23/52/26/978235226.db2.gz CMNYBFCFPHXEPN-UHFFFAOYSA-N 1 2 216.284 2.248 20 30 BEEDLO CCCC[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232674357 978239982 /nfs/dbraw/zinc/23/99/82/978239982.db2.gz XVJZDRQBJMLMGJ-UHFFFAOYSA-N 1 2 218.300 2.496 20 30 BEEDLO CCCC[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232674357 978239993 /nfs/dbraw/zinc/23/99/93/978239993.db2.gz XVJZDRQBJMLMGJ-UHFFFAOYSA-N 1 2 218.300 2.496 20 30 BEEDLO N#Cc1ccc(O)c(C[NH+]2CCC(S)CC2)c1 ZINC001232678706 978241691 /nfs/dbraw/zinc/24/16/91/978241691.db2.gz MUVKNDPYRZKPGD-UHFFFAOYSA-N 1 2 248.351 2.158 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC001232676223 978241721 /nfs/dbraw/zinc/24/17/21/978241721.db2.gz GZGXZXASLOAXJC-LBPRGKRZSA-N 1 2 234.274 2.198 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@H](F)C2)c1 ZINC001232676223 978241735 /nfs/dbraw/zinc/24/17/35/978241735.db2.gz GZGXZXASLOAXJC-LBPRGKRZSA-N 1 2 234.274 2.198 20 30 BEEDLO CSCC[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232677282 978242383 /nfs/dbraw/zinc/24/23/83/978242383.db2.gz APZWESJXTWEROJ-UHFFFAOYSA-N 1 2 236.340 2.059 20 30 BEEDLO CSCC[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232677282 978242391 /nfs/dbraw/zinc/24/23/91/978242391.db2.gz APZWESJXTWEROJ-UHFFFAOYSA-N 1 2 236.340 2.059 20 30 BEEDLO C[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674299 978244406 /nfs/dbraw/zinc/24/44/06/978244406.db2.gz VKHNLEGESGOIGN-NSHDSACASA-N 1 2 230.311 2.496 20 30 BEEDLO C[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674299 978244420 /nfs/dbraw/zinc/24/44/20/978244420.db2.gz VKHNLEGESGOIGN-NSHDSACASA-N 1 2 230.311 2.496 20 30 BEEDLO CC1(C)CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680097 978250036 /nfs/dbraw/zinc/25/00/36/978250036.db2.gz XWSYZCLGDNWSRG-UHFFFAOYSA-N 1 2 230.311 2.496 20 30 BEEDLO CC1(C)CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232680097 978250048 /nfs/dbraw/zinc/25/00/48/978250048.db2.gz XWSYZCLGDNWSRG-UHFFFAOYSA-N 1 2 230.311 2.496 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCCC1=O ZINC001232841918 978309996 /nfs/dbraw/zinc/30/99/96/978309996.db2.gz GDFVLGFLASPRQF-SNVBAGLBSA-N 1 2 248.351 2.421 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCCC1=O ZINC001232841918 978310005 /nfs/dbraw/zinc/31/00/05/978310005.db2.gz GDFVLGFLASPRQF-SNVBAGLBSA-N 1 2 248.351 2.421 20 30 BEEDLO Cc1cc(O)cc(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001232886741 978324888 /nfs/dbraw/zinc/32/48/88/978324888.db2.gz WLNUHYUXEIUDTM-NSHDSACASA-N 1 2 216.284 2.046 20 30 BEEDLO Cc1cc(O)cc(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001232886741 978324896 /nfs/dbraw/zinc/32/48/96/978324896.db2.gz WLNUHYUXEIUDTM-NSHDSACASA-N 1 2 216.284 2.046 20 30 BEEDLO C=CCC[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001337489607 978369927 /nfs/dbraw/zinc/36/99/27/978369927.db2.gz WWWKHEOMQONXCI-CYBMUJFWSA-N 1 2 247.342 2.300 20 30 BEEDLO C=CCC[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001337489607 978369939 /nfs/dbraw/zinc/36/99/39/978369939.db2.gz WWWKHEOMQONXCI-CYBMUJFWSA-N 1 2 247.342 2.300 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1cnn2ccccc12 ZINC001233236972 978510217 /nfs/dbraw/zinc/51/02/17/978510217.db2.gz HPOFMKUDYFYAKT-UHFFFAOYSA-N 1 2 242.326 2.460 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1cnn2ccccc12 ZINC001233236972 978510219 /nfs/dbraw/zinc/51/02/19/978510219.db2.gz HPOFMKUDYFYAKT-UHFFFAOYSA-N 1 2 242.326 2.460 20 30 BEEDLO CCCCN(CCC#N)Cc1cccc(N)[nH+]1 ZINC001233371609 978582728 /nfs/dbraw/zinc/58/27/28/978582728.db2.gz ZESRLGWHHIGXPC-UHFFFAOYSA-N 1 2 232.331 2.180 20 30 BEEDLO C=CCc1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1 ZINC001233593855 978640591 /nfs/dbraw/zinc/64/05/91/978640591.db2.gz FDSWNSIJUCOSOC-OAHLLOKOSA-N 1 2 247.338 2.125 20 30 BEEDLO C=CCc1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001233593855 978640594 /nfs/dbraw/zinc/64/05/94/978640594.db2.gz FDSWNSIJUCOSOC-OAHLLOKOSA-N 1 2 247.338 2.125 20 30 BEEDLO C=CCCO[C@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001339102945 978795644 /nfs/dbraw/zinc/79/56/44/978795644.db2.gz KCJWRZHZZSUQAT-GFCCVEGCSA-N 1 2 248.326 2.040 20 30 BEEDLO N#CCc1cc(-c2ccc(N)[nH+]c2)ccc1C#N ZINC001236313361 979521103 /nfs/dbraw/zinc/52/11/03/979521103.db2.gz PEDHGRRUUQKWLG-UHFFFAOYSA-N 1 2 234.262 2.269 20 30 BEEDLO COc1ccc(C)c(C[N@H+](C)CCC#N)c1 ZINC001237713321 980034162 /nfs/dbraw/zinc/03/41/62/980034162.db2.gz KZEGCPZFMQAMDW-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO COc1ccc(C)c(C[N@@H+](C)CCC#N)c1 ZINC001237713321 980034169 /nfs/dbraw/zinc/03/41/69/980034169.db2.gz KZEGCPZFMQAMDW-UHFFFAOYSA-N 1 2 218.300 2.349 20 30 BEEDLO C=CC[N@@H+](C)Cc1ccc(OC)nc1Cl ZINC001237797468 980050676 /nfs/dbraw/zinc/05/06/76/980050676.db2.gz LLJIBNQJAVFIFP-UHFFFAOYSA-N 1 2 226.707 2.361 20 30 BEEDLO C=CC[N@H+](C)Cc1ccc(OC)nc1Cl ZINC001237797468 980050681 /nfs/dbraw/zinc/05/06/81/980050681.db2.gz LLJIBNQJAVFIFP-UHFFFAOYSA-N 1 2 226.707 2.361 20 30 BEEDLO C=C1CC(C)(C(=O)Nc2cc[nH+]c3c2CCC3)C1 ZINC001184780184 980131990 /nfs/dbraw/zinc/13/19/90/980131990.db2.gz JWTPLEIMPYUULO-UHFFFAOYSA-N 1 2 242.322 2.287 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(F)c(F)cc1OCC ZINC001238653772 980307632 /nfs/dbraw/zinc/30/76/32/980307632.db2.gz POJKZCADFNBZTO-UHFFFAOYSA-N 1 2 239.265 2.429 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(F)c(F)cc1OCC ZINC001238653772 980307638 /nfs/dbraw/zinc/30/76/38/980307638.db2.gz POJKZCADFNBZTO-UHFFFAOYSA-N 1 2 239.265 2.429 20 30 BEEDLO C=CC[C@@H]([NH2+]C1CC2(CCC2)C1)C(=O)OCC ZINC001344570455 980432691 /nfs/dbraw/zinc/43/26/91/980432691.db2.gz UWFGEXPBDGFWIO-GFCCVEGCSA-N 1 2 237.343 2.417 20 30 BEEDLO CCn1c[nH+]cc1COC(=O)CCCCCC#N ZINC001346748821 980898239 /nfs/dbraw/zinc/89/82/39/980898239.db2.gz ZORVRVJUGAMCLA-UHFFFAOYSA-N 1 2 249.314 2.420 20 30 BEEDLO N#CCc1cccnc1-c1ccc2[nH+]ccn2c1 ZINC001240214194 981162399 /nfs/dbraw/zinc/16/23/99/981162399.db2.gz KUKXCTHNANSFQX-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO N#Cc1cccnc1-c1ccc2[nH+]ccn2c1 ZINC001240214901 981163890 /nfs/dbraw/zinc/16/38/90/981163890.db2.gz VJSSUVTUKBDOFB-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1cccnc1 ZINC001193308791 981290282 /nfs/dbraw/zinc/29/02/82/981290282.db2.gz HWEBYKKAUOCZHJ-NSHDSACASA-N 1 2 238.294 2.199 20 30 BEEDLO C=CCO[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001349637654 981603365 /nfs/dbraw/zinc/60/33/65/981603365.db2.gz XCOFBDFQHGOMJF-ZDUSSCGKSA-N 1 2 248.326 2.329 20 30 BEEDLO C=CCO[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001349637654 981603369 /nfs/dbraw/zinc/60/33/69/981603369.db2.gz XCOFBDFQHGOMJF-ZDUSSCGKSA-N 1 2 248.326 2.329 20 30 BEEDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(C#N)s1 ZINC001349676645 981633535 /nfs/dbraw/zinc/63/35/35/981633535.db2.gz QDVWOFUKZKEYOA-UHFFFAOYSA-N 1 2 246.339 2.283 20 30 BEEDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001349676645 981633540 /nfs/dbraw/zinc/63/35/40/981633540.db2.gz QDVWOFUKZKEYOA-UHFFFAOYSA-N 1 2 246.339 2.283 20 30 BEEDLO C=CCOC(=O)NCc1c[nH+]c2c(C)cccn12 ZINC001194327888 981674578 /nfs/dbraw/zinc/67/45/78/981674578.db2.gz BRKOJRFNGHNZLV-UHFFFAOYSA-N 1 2 245.282 2.055 20 30 BEEDLO N#CCc1ccccc1-c1cc[nH+]c(N)c1 ZINC001241163588 982305922 /nfs/dbraw/zinc/30/59/22/982305922.db2.gz WMTKGHWDHFYVCT-UHFFFAOYSA-N 1 2 209.252 2.397 20 30 BEEDLO Nc1cc(-c2ccc3c(c2)CC/C3=N/O)cc[nH+]1 ZINC001241170127 982316444 /nfs/dbraw/zinc/31/64/44/982316444.db2.gz JNMGDCVMHGKMLX-LGMDPLHJSA-N 1 2 239.278 2.455 20 30 BEEDLO N#Cc1nc2[nH]ccc2cc1-c1cc[nH+]c(N)c1 ZINC001241171198 982322988 /nfs/dbraw/zinc/32/29/88/982322988.db2.gz XTRJLWLNWYBWBU-UHFFFAOYSA-N 1 2 235.250 2.030 20 30 BEEDLO Nc1cc(-c2ccccc2C=NO)cc[nH+]1 ZINC001241175657 982324134 /nfs/dbraw/zinc/32/41/34/982324134.db2.gz JBBXEYYDQOCOOW-UHFFFAOYSA-N 1 2 213.240 2.139 20 30 BEEDLO CNc1cc(-c2ccnc(C#N)c2)cc[nH+]1 ZINC001241201437 982330417 /nfs/dbraw/zinc/33/04/17/982330417.db2.gz QDZOCFCQXIJVKR-UHFFFAOYSA-N 1 2 210.240 2.057 20 30 BEEDLO N#Cc1cccc(F)c1Nc1ccc(N)[nH+]c1 ZINC001201284559 983158130 /nfs/dbraw/zinc/15/81/30/983158130.db2.gz SNMVYONDTJWJOZ-UHFFFAOYSA-N 1 2 228.230 2.418 20 30 BEEDLO C#Cc1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC001201292160 983168973 /nfs/dbraw/zinc/16/89/73/983168973.db2.gz KPQWTIPVVQSWGM-UHFFFAOYSA-N 1 2 209.252 2.389 20 30 BEEDLO COc1cccc(Nc2ccc(N)[nH+]c2)c1C#N ZINC001201292901 983172757 /nfs/dbraw/zinc/17/27/57/983172757.db2.gz UIQVMHZVGPTNEJ-UHFFFAOYSA-N 1 2 240.266 2.288 20 30 BEEDLO N#Cc1nc(Cl)ccc1Nc1ccc(N)[nH+]c1 ZINC001201272110 983174372 /nfs/dbraw/zinc/17/43/72/983174372.db2.gz JDJIXHVGMFPINC-UHFFFAOYSA-N 1 2 245.673 2.327 20 30 BEEDLO Cc1cc(N)[nH+]cc1-c1ncc(C#N)cc1F ZINC001242072785 983311526 /nfs/dbraw/zinc/31/15/26/983311526.db2.gz PXGFZERKPVKMSL-UHFFFAOYSA-N 1 2 228.230 2.045 20 30 BEEDLO O=C1C=C2C[N@@H+](CC3CCCC3)CC[C@@H]2S1 ZINC001202139029 983571725 /nfs/dbraw/zinc/57/17/25/983571725.db2.gz LLDFESKJWHZPGG-LBPRGKRZSA-N 1 2 237.368 2.451 20 30 BEEDLO O=C1C=C2C[N@H+](CC3CCCC3)CC[C@@H]2S1 ZINC001202139029 983571742 /nfs/dbraw/zinc/57/17/42/983571742.db2.gz LLDFESKJWHZPGG-LBPRGKRZSA-N 1 2 237.368 2.451 20 30 BEEDLO C=C[C@](C)(O)CNc1ccc[nH+]c1N1CCCC1 ZINC001252542810 983809041 /nfs/dbraw/zinc/80/90/41/983809041.db2.gz JEJIYBVTZWTTHS-AWEZNQCLSA-N 1 2 247.342 2.031 20 30 BEEDLO O=C1C=C2C[N@@H+](CC3CCC3)CC[C@H]2S1 ZINC001202706093 984159515 /nfs/dbraw/zinc/15/95/15/984159515.db2.gz OSSCPMADVDNBPH-LLVKDONJSA-N 1 2 223.341 2.061 20 30 BEEDLO O=C1C=C2C[N@H+](CC3CCC3)CC[C@H]2S1 ZINC001202706093 984159532 /nfs/dbraw/zinc/15/95/32/984159532.db2.gz OSSCPMADVDNBPH-LLVKDONJSA-N 1 2 223.341 2.061 20 30 BEEDLO C=C(CC)CNC(=O)c1cccc2[nH+]ccn21 ZINC001436737606 984340096 /nfs/dbraw/zinc/34/00/96/984340096.db2.gz WQMDCXRQXXCPPM-UHFFFAOYSA-N 1 2 229.283 2.030 20 30 BEEDLO Cn1c[nH+]cc1-c1ccc2c(c1)CC/C2=N/O ZINC001243069475 984487724 /nfs/dbraw/zinc/48/77/24/984487724.db2.gz GUEJSDWWYFTIDL-QINSGFPZSA-N 1 2 227.267 2.212 20 30 BEEDLO Cc1cc(CC#N)ccc1-c1c[nH+]cn1C ZINC001243071526 984501260 /nfs/dbraw/zinc/50/12/60/984501260.db2.gz UVKNWUXACVGJBM-UHFFFAOYSA-N 1 2 211.268 2.462 20 30 BEEDLO COc1cc(-c2c[nH+]cn2C)cc(F)c1C#N ZINC001243071825 984506037 /nfs/dbraw/zinc/50/60/37/984506037.db2.gz GSVQFCFEYLWFJZ-UHFFFAOYSA-N 1 2 231.230 2.106 20 30 BEEDLO C#CCCC[NH+]1CC2(CCN2C2CCCC2)C1 ZINC001275976024 984758812 /nfs/dbraw/zinc/75/88/12/984758812.db2.gz WNDWAWNCQVFUGE-UHFFFAOYSA-N 1 2 232.371 2.103 20 30 BEEDLO N#CCOc1cc(F)ccc1-c1ccc[nH+]c1N ZINC001243473433 985024036 /nfs/dbraw/zinc/02/40/36/985024036.db2.gz AUUQXWAPEPCFPJ-UHFFFAOYSA-N 1 2 243.241 2.372 20 30 BEEDLO Nc1[nH+]cccc1-c1ccc(/C=N/O)c(F)c1 ZINC001243477223 985034619 /nfs/dbraw/zinc/03/46/19/985034619.db2.gz NBSMJJVOAJKVEQ-FRKPEAEDSA-N 1 2 231.230 2.278 20 30 BEEDLO C/C(=C\C=C\[NH3+])c1ccc(OCC#N)cc1 ZINC001243592277 985145861 /nfs/dbraw/zinc/14/58/61/985145861.db2.gz MFWNCEUQBSAWLV-GGBREQKCSA-N 1 2 214.268 2.465 20 30 BEEDLO Cc1ccc(-c2ccc(N)c(C#N)c2)[nH+]c1N ZINC001244111987 985822492 /nfs/dbraw/zinc/82/24/92/985822492.db2.gz HAVLFZWAOMILEO-UHFFFAOYSA-N 1 2 224.267 2.093 20 30 BEEDLO C#CC[N@H+](C(C)C)[C@H](C)C(=O)OCCCC ZINC001460811720 985900110 /nfs/dbraw/zinc/90/01/10/985900110.db2.gz BEUDAICVYYOAEZ-GFCCVEGCSA-N 1 2 225.332 2.062 20 30 BEEDLO C#CC[N@@H+](C(C)C)[C@H](C)C(=O)OCCCC ZINC001460811720 985900121 /nfs/dbraw/zinc/90/01/21/985900121.db2.gz BEUDAICVYYOAEZ-GFCCVEGCSA-N 1 2 225.332 2.062 20 30 BEEDLO C#CC[N@H+](C(C)C)[C@@H](C)C(=O)OCCCC ZINC001460811726 985903346 /nfs/dbraw/zinc/90/33/46/985903346.db2.gz BEUDAICVYYOAEZ-LBPRGKRZSA-N 1 2 225.332 2.062 20 30 BEEDLO C#CC[N@@H+](C(C)C)[C@@H](C)C(=O)OCCCC ZINC001460811726 985903361 /nfs/dbraw/zinc/90/33/61/985903361.db2.gz BEUDAICVYYOAEZ-LBPRGKRZSA-N 1 2 225.332 2.062 20 30 BEEDLO CC[C@H](CC#N)[NH2+]C1(c2ccncc2)CC1 ZINC001255154628 986824543 /nfs/dbraw/zinc/82/45/43/986824543.db2.gz DZRNDNVINVOSHO-GFCCVEGCSA-N 1 2 215.300 2.353 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]C1(c2ccccn2)CC1 ZINC001255156954 986828582 /nfs/dbraw/zinc/82/85/82/986828582.db2.gz UYKXGWZGFGSWPS-NSHDSACASA-N 1 2 215.300 2.353 20 30 BEEDLO CC[C@H](CC#N)[NH+]1CCC(c2nc(C)no2)CC1 ZINC001255174725 986871550 /nfs/dbraw/zinc/87/15/50/986871550.db2.gz JBPRUPAVBVSREC-GFCCVEGCSA-N 1 2 248.330 2.250 20 30 BEEDLO CC[C@@H](CC#N)[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001255176262 986871596 /nfs/dbraw/zinc/87/15/96/986871596.db2.gz YUIBDEASRRDARS-ZJUUUORDSA-N 1 2 228.336 2.208 20 30 BEEDLO Cc1ccc(-c2c[nH+]c(N)c(C)c2)nc1C#N ZINC001245535280 986911211 /nfs/dbraw/zinc/91/12/11/986911211.db2.gz HIPGJLNBZHADHN-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO Cc1cc(-c2ncc(F)cc2C#N)c[nH+]c1N ZINC001245536247 986913467 /nfs/dbraw/zinc/91/34/67/986913467.db2.gz NKPFJGNQADZQLH-UHFFFAOYSA-N 1 2 228.230 2.045 20 30 BEEDLO Cc1cc(-c2cc3cc[nH]c3nc2C#N)c[nH+]c1N ZINC001245539182 986925453 /nfs/dbraw/zinc/92/54/53/986925453.db2.gz TYJUGPHDHFMSAB-UHFFFAOYSA-N 1 2 249.277 2.339 20 30 BEEDLO C#C[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001476697618 987847810 /nfs/dbraw/zinc/84/78/10/987847810.db2.gz COXVZGCSFDFSCD-SECBINFHSA-N 1 2 231.299 2.150 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC001480369512 987967513 /nfs/dbraw/zinc/96/75/13/987967513.db2.gz IVXMKJYQCMVPIG-AWEZNQCLSA-N 1 2 248.370 2.063 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)CCCCCC)C1 ZINC001499779346 988557186 /nfs/dbraw/zinc/55/71/86/988557186.db2.gz BAFKHOWSNXQIBD-UHFFFAOYSA-N 1 2 238.375 2.285 20 30 BEEDLO C#CCO[NH+]=Cc1c(Cl)cccc1N(C)C ZINC001324013561 988668389 /nfs/dbraw/zinc/66/83/89/988668389.db2.gz BIAIHWGJXPWXFS-UHFFFAOYSA-N 1 2 236.702 2.390 20 30 BEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)C ZINC001506045402 988761378 /nfs/dbraw/zinc/76/13/78/988761378.db2.gz VJOOOTNIAIVXCR-SNVBAGLBSA-N 1 2 246.782 2.222 20 30 BEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C ZINC001506045402 988761390 /nfs/dbraw/zinc/76/13/90/988761390.db2.gz VJOOOTNIAIVXCR-SNVBAGLBSA-N 1 2 246.782 2.222 20 30 BEEDLO C#CC[N@@H+](Cc1cc(F)ncc1F)CC1CC1 ZINC001324365493 988815480 /nfs/dbraw/zinc/81/54/80/988815480.db2.gz RMBBRBHBNFRWEF-UHFFFAOYSA-N 1 2 236.265 2.205 20 30 BEEDLO C#CC[N@H+](Cc1cc(F)ncc1F)CC1CC1 ZINC001324365493 988815483 /nfs/dbraw/zinc/81/54/83/988815483.db2.gz RMBBRBHBNFRWEF-UHFFFAOYSA-N 1 2 236.265 2.205 20 30 BEEDLO Cc1cc(C)nc(C[N@@H+]2CCC[C@@H](C#N)CC2)n1 ZINC001248972601 989230712 /nfs/dbraw/zinc/23/07/12/989230712.db2.gz MPYLMWJSJVLIST-CYBMUJFWSA-N 1 2 244.342 2.219 20 30 BEEDLO Cc1cc(C)nc(C[N@H+]2CCC[C@@H](C#N)CC2)n1 ZINC001248972601 989230720 /nfs/dbraw/zinc/23/07/20/989230720.db2.gz MPYLMWJSJVLIST-CYBMUJFWSA-N 1 2 244.342 2.219 20 30 BEEDLO N#Cc1cccc(C[NH+]2CC3(CSC3)C2)c1F ZINC001249692969 989339986 /nfs/dbraw/zinc/33/99/86/989339986.db2.gz FTCGIQJNZGILKP-UHFFFAOYSA-N 1 2 248.326 2.246 20 30 BEEDLO C=C1CCC(CNC(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001119973012 989528234 /nfs/dbraw/zinc/52/82/34/989528234.db2.gz LKWRPSPBOAGXAV-GFCCVEGCSA-N 1 2 247.342 2.307 20 30 BEEDLO C=C(CC)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001521539283 989733242 /nfs/dbraw/zinc/73/32/42/989733242.db2.gz RNGMGAMOYGTBLI-CYBMUJFWSA-N 1 2 246.310 2.028 20 30 BEEDLO C=C(CC(C)C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC001521736619 989792928 /nfs/dbraw/zinc/79/29/28/989792928.db2.gz CWBJGIOPHVQHPQ-LLVKDONJSA-N 1 2 233.315 2.046 20 30 BEEDLO Cc1c[nH+]cc(C)c1NC(=O)CCCCC#N ZINC001121230870 990053736 /nfs/dbraw/zinc/05/37/36/990053736.db2.gz DKJSFIANYLKVSM-UHFFFAOYSA-N 1 2 231.299 2.143 20 30 BEEDLO N#CCC[N@H+](Cc1cncnc1)C1CCCC1 ZINC001137667212 990836359 /nfs/dbraw/zinc/83/63/59/990836359.db2.gz IJIIWNSTACHPOE-UHFFFAOYSA-N 1 2 230.315 2.135 20 30 BEEDLO N#CCC[N@@H+](Cc1cncnc1)C1CCCC1 ZINC001137667212 990836361 /nfs/dbraw/zinc/83/63/61/990836361.db2.gz IJIIWNSTACHPOE-UHFFFAOYSA-N 1 2 230.315 2.135 20 30 BEEDLO CCCC[N@H+](CCC#N)Cc1ncccc1O ZINC001138393481 990928604 /nfs/dbraw/zinc/92/86/04/990928604.db2.gz OODKXTSAWCYZHU-UHFFFAOYSA-N 1 2 233.315 2.303 20 30 BEEDLO CCCC[N@@H+](CCC#N)Cc1ncccc1O ZINC001138393481 990928610 /nfs/dbraw/zinc/92/86/10/990928610.db2.gz OODKXTSAWCYZHU-UHFFFAOYSA-N 1 2 233.315 2.303 20 30 BEEDLO CCCn1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1C ZINC001138640969 990992025 /nfs/dbraw/zinc/99/20/25/990992025.db2.gz AQDLBLLWPJMFGN-AWEZNQCLSA-N 1 2 246.358 2.337 20 30 BEEDLO CCCn1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)c1C ZINC001138640969 990992031 /nfs/dbraw/zinc/99/20/31/990992031.db2.gz AQDLBLLWPJMFGN-AWEZNQCLSA-N 1 2 246.358 2.337 20 30 BEEDLO C=C(C)COc1ccccc1C[NH+]1CC(C)(O)C1 ZINC001138663202 991000074 /nfs/dbraw/zinc/00/00/74/991000074.db2.gz QKWGPKIVEIXCCF-UHFFFAOYSA-N 1 2 247.338 2.208 20 30 BEEDLO N#Cc1cccc(C#N)c1NCc1ccc[nH+]c1N ZINC001559193161 991049645 /nfs/dbraw/zinc/04/96/45/991049645.db2.gz SQQYJUXZZVODRE-UHFFFAOYSA-N 1 2 249.277 2.019 20 30 BEEDLO C#C[C@H](CC)[NH2+]Cc1c(Cl)ccnc1F ZINC001308751176 991121082 /nfs/dbraw/zinc/12/10/82/991121082.db2.gz PZVPSXZLPWLMJL-MRVPVSSYSA-N 1 2 226.682 2.376 20 30 BEEDLO CCC(CC)C[N@H+](CCC#N)CC1=NOCC1 ZINC001559578491 991164573 /nfs/dbraw/zinc/16/45/73/991164573.db2.gz MIZPNQIOKFPUSZ-UHFFFAOYSA-N 1 2 237.347 2.415 20 30 BEEDLO CCC(CC)C[N@@H+](CCC#N)CC1=NOCC1 ZINC001559578491 991164581 /nfs/dbraw/zinc/16/45/81/991164581.db2.gz MIZPNQIOKFPUSZ-UHFFFAOYSA-N 1 2 237.347 2.415 20 30 BEEDLO COC(=O)[C@H](CS)[NH2+]C1CCCCCCC1 ZINC001258232680 991167611 /nfs/dbraw/zinc/16/76/11/991167611.db2.gz AIACIPYJZTWMHG-NSHDSACASA-N 1 2 245.388 2.160 20 30 BEEDLO Cc1cc(O)cc(C)c1C[N@H+](C)CCC#N ZINC001139711072 991330791 /nfs/dbraw/zinc/33/07/91/991330791.db2.gz GAWQUYNTXOBISR-UHFFFAOYSA-N 1 2 218.300 2.355 20 30 BEEDLO Cc1cc(O)cc(C)c1C[N@@H+](C)CCC#N ZINC001139711072 991330803 /nfs/dbraw/zinc/33/08/03/991330803.db2.gz GAWQUYNTXOBISR-UHFFFAOYSA-N 1 2 218.300 2.355 20 30 BEEDLO CO[C@@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)C[C@@H]1F ZINC001139722800 991338954 /nfs/dbraw/zinc/33/89/54/991338954.db2.gz GQIWSLFRIHRQSB-UONOGXRCSA-N 1 2 248.301 2.035 20 30 BEEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)C[C@@H]1F ZINC001139722800 991338960 /nfs/dbraw/zinc/33/89/60/991338960.db2.gz GQIWSLFRIHRQSB-UONOGXRCSA-N 1 2 248.301 2.035 20 30 BEEDLO C=CCn1cc(C[N@H+]2CCCC[C@@H]2C(C)=O)cn1 ZINC001139771294 991362966 /nfs/dbraw/zinc/36/29/66/991362966.db2.gz WGQKJAKKERSYNC-CQSZACIVSA-N 1 2 247.342 2.013 20 30 BEEDLO C=CCn1cc(C[N@@H+]2CCCC[C@@H]2C(C)=O)cn1 ZINC001139771294 991362975 /nfs/dbraw/zinc/36/29/75/991362975.db2.gz WGQKJAKKERSYNC-CQSZACIVSA-N 1 2 247.342 2.013 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](CC)CCCCC)C(=O)OC ZINC001258433998 991369529 /nfs/dbraw/zinc/36/95/29/991369529.db2.gz DAIRRBWJAXUVHI-STQMWFEESA-N 1 2 239.359 2.500 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](F)C2)cn1 ZINC001140540526 991665388 /nfs/dbraw/zinc/66/53/88/991665388.db2.gz ZNCZCNWFDRYZAU-LBPRGKRZSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](F)C2)cn1 ZINC001140540526 991665389 /nfs/dbraw/zinc/66/53/89/991665389.db2.gz ZNCZCNWFDRYZAU-LBPRGKRZSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2ccc(C#N)nc2)C[C@H]1F ZINC001140540062 991666372 /nfs/dbraw/zinc/66/63/72/991666372.db2.gz IATQYXDBRUZDDD-ZWNOBZJWSA-N 1 2 233.290 2.133 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)nc2)C[C@H]1F ZINC001140540062 991666378 /nfs/dbraw/zinc/66/63/78/991666378.db2.gz IATQYXDBRUZDDD-ZWNOBZJWSA-N 1 2 233.290 2.133 20 30 BEEDLO C=CCC[C@@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC001258734932 991685110 /nfs/dbraw/zinc/68/51/10/991685110.db2.gz KSYVXLYFFGKTIN-ZJUUUORDSA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCC[C@@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC001258734932 991685117 /nfs/dbraw/zinc/68/51/17/991685117.db2.gz KSYVXLYFFGKTIN-ZJUUUORDSA-N 1 2 219.275 2.043 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](CCC)CCCC)C(=O)OC ZINC001258756972 991700513 /nfs/dbraw/zinc/70/05/13/991700513.db2.gz DDDTWODMCTWTKG-STQMWFEESA-N 1 2 239.359 2.500 20 30 BEEDLO C=CC(C)(C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001563091520 991747270 /nfs/dbraw/zinc/74/72/70/991747270.db2.gz JLYPVDMKPKYYOI-UHFFFAOYSA-N 1 2 244.298 2.420 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC001258808655 991813344 /nfs/dbraw/zinc/81/33/44/991813344.db2.gz PITBKVUQBJIUIJ-MXWKQRLJSA-N 1 2 245.388 2.016 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001321087357 992451707 /nfs/dbraw/zinc/45/17/07/992451707.db2.gz NYSSYGTYLNOSIV-NEPJUHHUSA-N 1 2 233.315 2.011 20 30 BEEDLO CSc1ccc(C[NH2+]CC2(C#N)CC2)o1 ZINC001262110512 992679896 /nfs/dbraw/zinc/67/98/96/992679896.db2.gz GMOBGDCYXOQCPB-UHFFFAOYSA-N 1 2 222.313 2.395 20 30 BEEDLO C[C@@H]1C[C@@H]([NH2+]CCC#N)CN1Cc1ccccc1 ZINC000382033250 993437644 /nfs/dbraw/zinc/43/76/44/993437644.db2.gz FJEQORJUTKQDOC-UKRRQHHQSA-N 1 2 243.354 2.153 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCN(C(=O)CC)C(C)C ZINC001284519828 994346907 /nfs/dbraw/zinc/34/69/07/994346907.db2.gz LQTUCUFTTKEWAX-UHFFFAOYSA-N 1 2 246.782 2.318 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCN(C(=O)CC)C(C)C ZINC001284519828 994346913 /nfs/dbraw/zinc/34/69/13/994346913.db2.gz LQTUCUFTTKEWAX-UHFFFAOYSA-N 1 2 246.782 2.318 20 30 BEEDLO C=C(C)CCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC001335821392 994869719 /nfs/dbraw/zinc/86/97/19/994869719.db2.gz XQGQUIJRYMDOBR-UHFFFAOYSA-N 1 2 243.310 2.307 20 30 BEEDLO N#Cc1ccc(F)cc1NCCCn1cc[nH+]c1 ZINC001306915789 995274354 /nfs/dbraw/zinc/27/43/54/995274354.db2.gz NDODZCURHPCRFW-UHFFFAOYSA-N 1 2 244.273 2.396 20 30 BEEDLO C=CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001634249696 1171634017 /nfs/dbraw/zinc/63/40/17/1171634017.db2.gz IBEZKJDEYUWXBT-UHFFFAOYSA-N 1 2 229.283 2.211 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1nccn1-c1ccccc1 ZINC000191479415 398156221 /nfs/dbraw/zinc/15/62/21/398156221.db2.gz BDUGPQDPQRMLAU-GFCCVEGCSA-N 1 2 240.310 2.122 20 30 BEEDLO Cc1cc(C[NH2+]Cc2cccc(C#N)c2)no1 ZINC000044412177 178027124 /nfs/dbraw/zinc/02/71/24/178027124.db2.gz BKNIVKSZSYLNTJ-UHFFFAOYSA-N 1 2 227.267 2.145 20 30 BEEDLO C=C[C@H]([NH2+][C@@H](CC)C1CCCC1)C(=O)OC ZINC000382805319 398202420 /nfs/dbraw/zinc/20/24/20/398202420.db2.gz BICQOUCXYGFGGO-RYUDHWBXSA-N 1 2 225.332 2.272 20 30 BEEDLO Cc1ccc(NC(=O)c2ccc(C#N)[nH]2)c(C)[nH+]1 ZINC000334233414 136224540 /nfs/dbraw/zinc/22/45/40/136224540.db2.gz OIUNGQJMUBQJLS-UHFFFAOYSA-N 1 2 240.266 2.151 20 30 BEEDLO C#CC[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000185248136 136230081 /nfs/dbraw/zinc/23/00/81/136230081.db2.gz UEZMCDOCYDGWFA-SNVBAGLBSA-N 1 2 233.315 2.401 20 30 BEEDLO CC(C)N(CCC#N)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602448783 349549482 /nfs/dbraw/zinc/54/94/82/349549482.db2.gz PMYAKRHBKXUCBP-ZDUSSCGKSA-N 1 2 246.358 2.495 20 30 BEEDLO COCC[N@H+](CC(F)F)C[C@@H](C)CCC#N ZINC000602457719 349554324 /nfs/dbraw/zinc/55/43/24/349554324.db2.gz JRESCSGKLRIRPI-JTQLQIEISA-N 1 2 234.290 2.140 20 30 BEEDLO COCC[N@@H+](CC(F)F)C[C@@H](C)CCC#N ZINC000602457719 349554325 /nfs/dbraw/zinc/55/43/25/349554325.db2.gz JRESCSGKLRIRPI-JTQLQIEISA-N 1 2 234.290 2.140 20 30 BEEDLO Cc1cc(NCCCC2CC2)c(C#N)c[nH+]1 ZINC000399462450 342682627 /nfs/dbraw/zinc/68/26/27/342682627.db2.gz QLYGUSGLDRGBKS-UHFFFAOYSA-N 1 2 215.300 2.286 20 30 BEEDLO C[C@@]1(C[N@@H+]2CC[C@](F)(C#N)C2)CCCS1 ZINC000600150190 342691205 /nfs/dbraw/zinc/69/12/05/342691205.db2.gz AYXRQYPZQRFKDJ-QWRGUYRKSA-N 1 2 228.336 2.210 20 30 BEEDLO C[C@@]1(C[N@H+]2CC[C@](F)(C#N)C2)CCCS1 ZINC000600150190 342691206 /nfs/dbraw/zinc/69/12/06/342691206.db2.gz AYXRQYPZQRFKDJ-QWRGUYRKSA-N 1 2 228.336 2.210 20 30 BEEDLO C[C@]1(C[N@@H+]2CC[C@@](F)(C#N)C2)CCCS1 ZINC000600150186 342691395 /nfs/dbraw/zinc/69/13/95/342691395.db2.gz AYXRQYPZQRFKDJ-GHMZBOCLSA-N 1 2 228.336 2.210 20 30 BEEDLO C[C@]1(C[N@H+]2CC[C@@](F)(C#N)C2)CCCS1 ZINC000600150186 342691397 /nfs/dbraw/zinc/69/13/97/342691397.db2.gz AYXRQYPZQRFKDJ-GHMZBOCLSA-N 1 2 228.336 2.210 20 30 BEEDLO N#CC1(C[NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000600154022 342691925 /nfs/dbraw/zinc/69/19/25/342691925.db2.gz UEJXMKBKZCGTFV-UHFFFAOYSA-N 1 2 238.294 2.023 20 30 BEEDLO COc1ccc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000085821752 398290373 /nfs/dbraw/zinc/29/03/73/398290373.db2.gz BNHUGNKPPCQAKU-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1ccc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000085821752 398290377 /nfs/dbraw/zinc/29/03/77/398290377.db2.gz BNHUGNKPPCQAKU-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(Cl)cn1 ZINC000562263943 323014207 /nfs/dbraw/zinc/01/42/07/323014207.db2.gz QBYJXSLMEGFFBL-VIFPVBQESA-N 1 2 223.707 2.469 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000562263943 323014208 /nfs/dbraw/zinc/01/42/08/323014208.db2.gz QBYJXSLMEGFFBL-VIFPVBQESA-N 1 2 223.707 2.469 20 30 BEEDLO CCC#C[C@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000381575586 539004133 /nfs/dbraw/zinc/00/41/33/539004133.db2.gz YGIBOKBLEOZUIX-VIFPVBQESA-N 1 2 235.356 2.346 20 30 BEEDLO CCC#C[C@@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000381575583 539004403 /nfs/dbraw/zinc/00/44/03/539004403.db2.gz YGIBOKBLEOZUIX-SECBINFHSA-N 1 2 235.356 2.346 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1ccc(C(F)F)nc1 ZINC000602606748 349628890 /nfs/dbraw/zinc/62/88/90/349628890.db2.gz DBDQGLSESBCFPV-MRVPVSSYSA-N 1 2 225.242 2.268 20 30 BEEDLO Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C1CC1 ZINC000602607510 349630008 /nfs/dbraw/zinc/63/00/08/349630008.db2.gz LVMADYOZFTZIOU-RWMBFGLXSA-N 1 2 244.342 2.153 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnn1CC1CCC1 ZINC000602609480 349633790 /nfs/dbraw/zinc/63/37/90/349633790.db2.gz CIZAJQRMXSYXEH-ZDUSSCGKSA-N 1 2 246.358 2.465 20 30 BEEDLO Cc1cc(N2CC[C@H](C)[C@H]2C)c(C#N)c[nH+]1 ZINC000335508753 398341612 /nfs/dbraw/zinc/34/16/12/398341612.db2.gz BUNPHGJSRIBIJW-GXSJLCMTSA-N 1 2 215.300 2.496 20 30 BEEDLO COc1cncc(C[N@@H+]2CC[C@](C)(C#N)C2)c1C ZINC000602718689 349687528 /nfs/dbraw/zinc/68/75/28/349687528.db2.gz PVCPKKPNHPITHH-CQSZACIVSA-N 1 2 245.326 2.134 20 30 BEEDLO COc1cncc(C[N@H+]2CC[C@](C)(C#N)C2)c1C ZINC000602718689 349687531 /nfs/dbraw/zinc/68/75/31/349687531.db2.gz PVCPKKPNHPITHH-CQSZACIVSA-N 1 2 245.326 2.134 20 30 BEEDLO C[C@@H]([NH2+]C[C@@H](C)CCC#N)C(F)(F)F ZINC000602661467 349681225 /nfs/dbraw/zinc/68/12/25/349681225.db2.gz FVRMXEKSBITESL-JGVFFNPUSA-N 1 2 208.227 2.467 20 30 BEEDLO COC[C@H](C)C[N@H+](CCC#N)Cc1ccco1 ZINC000189537848 346896882 /nfs/dbraw/zinc/89/68/82/346896882.db2.gz KQIADXXSXBXVMP-GFCCVEGCSA-N 1 2 236.315 2.278 20 30 BEEDLO COC[C@H](C)C[N@@H+](CCC#N)Cc1ccco1 ZINC000189537848 346896885 /nfs/dbraw/zinc/89/68/85/346896885.db2.gz KQIADXXSXBXVMP-GFCCVEGCSA-N 1 2 236.315 2.278 20 30 BEEDLO N#Cc1cccc(C[NH2+]CC2(C#N)CCCC2)n1 ZINC000602699258 349695213 /nfs/dbraw/zinc/69/52/13/349695213.db2.gz LNSFEWCWAQYULR-UHFFFAOYSA-N 1 2 240.310 2.127 20 30 BEEDLO Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000602717633 349708421 /nfs/dbraw/zinc/70/84/21/349708421.db2.gz IDBQQAVBVPNMEV-TZMCWYRMSA-N 1 2 244.342 2.107 20 30 BEEDLO Cn1ccnc1[C@@H](C1CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000602717633 349708424 /nfs/dbraw/zinc/70/84/24/349708424.db2.gz IDBQQAVBVPNMEV-TZMCWYRMSA-N 1 2 244.342 2.107 20 30 BEEDLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CC[C@](C)(C#N)C1 ZINC000602717633 349708427 /nfs/dbraw/zinc/70/84/27/349708427.db2.gz IDBQQAVBVPNMEV-TZMCWYRMSA-N 1 2 244.342 2.107 20 30 BEEDLO C=C(C)C[C@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC ZINC000602734597 349719798 /nfs/dbraw/zinc/71/97/98/349719798.db2.gz PSXJONHQBPEKKI-LBPRGKRZSA-N 1 2 237.343 2.417 20 30 BEEDLO C=C(C)C[C@@H]([NH2+]Cc1ccccc1)C(=O)OC ZINC000602734485 349719911 /nfs/dbraw/zinc/71/99/11/349719911.db2.gz ZUYGZJHENWNMBL-CYBMUJFWSA-N 1 2 233.311 2.284 20 30 BEEDLO C[C@H](CCC#N)CNc1c[nH+]cc(N(C)C)c1 ZINC000602724442 349714394 /nfs/dbraw/zinc/71/43/94/349714394.db2.gz MPQRQHOWIFZXSG-LLVKDONJSA-N 1 2 232.331 2.499 20 30 BEEDLO N#CCC1(C[N@@H+]2CCO[C@@H](c3ccco3)C2)CC1 ZINC000602789388 349752330 /nfs/dbraw/zinc/75/23/30/349752330.db2.gz VMWZNAQCYYLUKC-CYBMUJFWSA-N 1 2 246.310 2.347 20 30 BEEDLO N#CCC1(C[N@H+]2CCO[C@@H](c3ccco3)C2)CC1 ZINC000602789388 349752331 /nfs/dbraw/zinc/75/23/31/349752331.db2.gz VMWZNAQCYYLUKC-CYBMUJFWSA-N 1 2 246.310 2.347 20 30 BEEDLO C=C[C@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000301600427 136264817 /nfs/dbraw/zinc/26/48/17/136264817.db2.gz ILVGZPIDWCIIKW-NSHDSACASA-N 1 2 232.331 2.453 20 30 BEEDLO C=C[C@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000301600427 136264818 /nfs/dbraw/zinc/26/48/18/136264818.db2.gz ILVGZPIDWCIIKW-NSHDSACASA-N 1 2 232.331 2.453 20 30 BEEDLO Cc1cc(C)cc(NC(=O)C[NH2+][C@@H](C)CC#N)c1 ZINC000602868158 349798746 /nfs/dbraw/zinc/79/87/46/349798746.db2.gz HLXRWVIZLTWHQE-LBPRGKRZSA-N 1 2 245.326 2.134 20 30 BEEDLO Cc1cc(C)cc(NC(=O)C[NH2+][C@H](C)CC#N)c1 ZINC000602868157 349798804 /nfs/dbraw/zinc/79/88/04/349798804.db2.gz HLXRWVIZLTWHQE-GFCCVEGCSA-N 1 2 245.326 2.134 20 30 BEEDLO CC(C)CO[NH+]=C(N)COc1ccccc1F ZINC000186864029 136275542 /nfs/dbraw/zinc/27/55/42/136275542.db2.gz DCWFIVGCXLFTMM-UHFFFAOYSA-N 1 2 240.278 2.149 20 30 BEEDLO N#CCC[C@H](C#N)C[N@@H+]1CCc2ccccc2C1 ZINC000032514620 343237057 /nfs/dbraw/zinc/23/70/57/343237057.db2.gz KUNSMZWKQGNLNV-CYBMUJFWSA-N 1 2 239.322 2.488 20 30 BEEDLO N#CCC[C@H](C#N)C[N@H+]1CCc2ccccc2C1 ZINC000032514620 343237059 /nfs/dbraw/zinc/23/70/59/343237059.db2.gz KUNSMZWKQGNLNV-CYBMUJFWSA-N 1 2 239.322 2.488 20 30 BEEDLO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC#N ZINC000177544851 346932061 /nfs/dbraw/zinc/93/20/61/346932061.db2.gz HRPCVPIOJUTDLF-AAEUAGOBSA-N 1 2 200.285 2.388 20 30 BEEDLO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC#N ZINC000177544851 346932064 /nfs/dbraw/zinc/93/20/64/346932064.db2.gz HRPCVPIOJUTDLF-AAEUAGOBSA-N 1 2 200.285 2.388 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCCC(=O)CC ZINC000295148554 136290418 /nfs/dbraw/zinc/29/04/18/136290418.db2.gz BFYAUKXUVWHPGL-UHFFFAOYSA-N 1 2 208.305 2.147 20 30 BEEDLO C=CC[N@H+](CCC#N)CCCC(=O)CC ZINC000295148554 136290419 /nfs/dbraw/zinc/29/04/19/136290419.db2.gz BFYAUKXUVWHPGL-UHFFFAOYSA-N 1 2 208.305 2.147 20 30 BEEDLO Cc1nsc(C)c1C[NH2+][C@@H](C)CC#N ZINC000602871819 349803233 /nfs/dbraw/zinc/80/32/33/349803233.db2.gz XSAOBQCMOYMYKD-ZETCQYMHSA-N 1 2 209.318 2.152 20 30 BEEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccsc2)o1 ZINC000349600701 136352496 /nfs/dbraw/zinc/35/24/96/136352496.db2.gz QXLNLXLDZKJINM-LBPRGKRZSA-N 1 2 248.307 2.036 20 30 BEEDLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000335719821 136340640 /nfs/dbraw/zinc/34/06/40/136340640.db2.gz TZYQACKZTUSHLE-WDEREUQCSA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1cc(C#N)cs1 ZINC000335719821 136340641 /nfs/dbraw/zinc/34/06/41/136340641.db2.gz TZYQACKZTUSHLE-WDEREUQCSA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@H]1C[N@H+](Cc2cccc(F)c2C#N)CCCO1 ZINC000335879612 136357184 /nfs/dbraw/zinc/35/71/84/136357184.db2.gz JYWQETMQBTUGGR-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)CCCO1 ZINC000335879612 136357185 /nfs/dbraw/zinc/35/71/85/136357185.db2.gz JYWQETMQBTUGGR-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C=C(C)C[N@@H+](C)[C@H](C)c1nnc(CC)o1 ZINC000351097971 136367669 /nfs/dbraw/zinc/36/76/69/136367669.db2.gz JUOQOIBSWRTINO-SECBINFHSA-N 1 2 209.293 2.201 20 30 BEEDLO C=C(C)C[N@H+](C)[C@H](C)c1nnc(CC)o1 ZINC000351097971 136367670 /nfs/dbraw/zinc/36/76/70/136367670.db2.gz JUOQOIBSWRTINO-SECBINFHSA-N 1 2 209.293 2.201 20 30 BEEDLO C#CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000274197818 136375332 /nfs/dbraw/zinc/37/53/32/136375332.db2.gz RDFAARUJZWHTCL-UHFFFAOYSA-N 1 2 248.257 2.332 20 30 BEEDLO C#CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000274197818 136375333 /nfs/dbraw/zinc/37/53/33/136375333.db2.gz RDFAARUJZWHTCL-UHFFFAOYSA-N 1 2 248.257 2.332 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000044389188 343499275 /nfs/dbraw/zinc/49/92/75/343499275.db2.gz UDFNJXIQVPNWFI-SNVBAGLBSA-N 1 2 233.271 2.186 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000044389188 343499278 /nfs/dbraw/zinc/49/92/78/343499278.db2.gz UDFNJXIQVPNWFI-SNVBAGLBSA-N 1 2 233.271 2.186 20 30 BEEDLO C[C@]1(C(F)F)C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602899861 349815745 /nfs/dbraw/zinc/81/57/45/349815745.db2.gz BFYABNDSYNKGHB-LLVKDONJSA-N 1 2 244.285 2.036 20 30 BEEDLO C[C@]1(C(F)F)C[N@@H+](CC2(CC#N)CC2)CCO1 ZINC000602899861 349815749 /nfs/dbraw/zinc/81/57/49/349815749.db2.gz BFYABNDSYNKGHB-LLVKDONJSA-N 1 2 244.285 2.036 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccccc1 ZINC000047979696 343569643 /nfs/dbraw/zinc/56/96/43/343569643.db2.gz NBNKCMKWPDEDCH-LBPRGKRZSA-N 1 2 218.300 2.157 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccccc1 ZINC000047979696 343569646 /nfs/dbraw/zinc/56/96/46/343569646.db2.gz NBNKCMKWPDEDCH-LBPRGKRZSA-N 1 2 218.300 2.157 20 30 BEEDLO C=C[C@@H]([NH2+][C@H](C)CCc1ccccc1)C(=O)OC ZINC000302445248 343587136 /nfs/dbraw/zinc/58/71/36/343587136.db2.gz UNWHPRWTALDADB-TZMCWYRMSA-N 1 2 247.338 2.325 20 30 BEEDLO C=C[C@H]([NH2+][C@@H](C)CCc1ccccc1)C(=O)OC ZINC000302445243 343587428 /nfs/dbraw/zinc/58/74/28/343587428.db2.gz UNWHPRWTALDADB-JSGCOSHPSA-N 1 2 247.338 2.325 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc(CC)no1 ZINC000683793209 488224264 /nfs/dbraw/zinc/22/42/64/488224264.db2.gz UPRODSNPDFEMAJ-JTQLQIEISA-N 1 2 221.304 2.173 20 30 BEEDLO C=C(CC)C[NH2+][C@H](C(=O)OC)C(C)(C)C ZINC000379963592 343660352 /nfs/dbraw/zinc/66/03/52/343660352.db2.gz XXLYATBHIIPSRQ-SNVBAGLBSA-N 1 2 213.321 2.130 20 30 BEEDLO Cc1noc(C)c1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602976171 349841376 /nfs/dbraw/zinc/84/13/76/349841376.db2.gz MDNRXUKBQLKIRR-YPMHNXCESA-N 1 2 233.315 2.416 20 30 BEEDLO Cc1noc(C)c1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602976171 349841379 /nfs/dbraw/zinc/84/13/79/349841379.db2.gz MDNRXUKBQLKIRR-YPMHNXCESA-N 1 2 233.315 2.416 20 30 BEEDLO Cn1cc[nH+]c1[C@H](NCCC#N)c1ccccc1 ZINC000028657312 343683513 /nfs/dbraw/zinc/68/35/13/343683513.db2.gz GJUJXYBUMWDTOQ-CYBMUJFWSA-N 1 2 240.310 2.013 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)nc1 ZINC000602980061 349845496 /nfs/dbraw/zinc/84/54/96/349845496.db2.gz LAIYKHWHCKQXFM-BXUZGUMPSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)nc1 ZINC000602980061 349845499 /nfs/dbraw/zinc/84/54/99/349845499.db2.gz LAIYKHWHCKQXFM-BXUZGUMPSA-N 1 2 245.326 2.214 20 30 BEEDLO C[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CCC[C@H]1C#N ZINC000602980638 349846001 /nfs/dbraw/zinc/84/60/01/349846001.db2.gz SPNKAJFUQMWKJB-GXTWGEPZSA-N 1 2 240.310 2.077 20 30 BEEDLO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCC[C@H]1C#N ZINC000602980638 349846003 /nfs/dbraw/zinc/84/60/03/349846003.db2.gz SPNKAJFUQMWKJB-GXTWGEPZSA-N 1 2 240.310 2.077 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnn2ccccc12 ZINC000179452882 346985707 /nfs/dbraw/zinc/98/57/07/346985707.db2.gz FRXUDIOYPVXKPI-NSHDSACASA-N 1 2 228.299 2.068 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnn2ccccc12 ZINC000179452882 346985709 /nfs/dbraw/zinc/98/57/09/346985709.db2.gz FRXUDIOYPVXKPI-NSHDSACASA-N 1 2 228.299 2.068 20 30 BEEDLO C#CC[N@@H+](Cc1nc(C)no1)C1CCCCC1 ZINC000065960341 343836699 /nfs/dbraw/zinc/83/66/99/343836699.db2.gz GLKXHQWNCJALGV-UHFFFAOYSA-N 1 2 233.315 2.146 20 30 BEEDLO C#CC[N@H+](Cc1nc(C)no1)C1CCCCC1 ZINC000065960341 343836701 /nfs/dbraw/zinc/83/67/01/343836701.db2.gz GLKXHQWNCJALGV-UHFFFAOYSA-N 1 2 233.315 2.146 20 30 BEEDLO Cc1ccc(C[N@H+](C)CCC#N)cc1F ZINC000157820506 343923966 /nfs/dbraw/zinc/92/39/66/343923966.db2.gz MUCOIIHTAOKPTH-UHFFFAOYSA-N 1 2 206.264 2.480 20 30 BEEDLO Cc1ccc(C[N@@H+](C)CCC#N)cc1F ZINC000157820506 343923969 /nfs/dbraw/zinc/92/39/69/343923969.db2.gz MUCOIIHTAOKPTH-UHFFFAOYSA-N 1 2 206.264 2.480 20 30 BEEDLO C=CCCC[C@@H](C)n1cc(C[NH2+]CC#CC)nn1 ZINC000641232598 362283391 /nfs/dbraw/zinc/28/33/91/362283391.db2.gz HFGRLQYGOVMUIN-CYBMUJFWSA-N 1 2 246.358 2.308 20 30 BEEDLO CCc1c[nH+]ccc1NC(=O)CCCCCC#N ZINC000588927321 344209915 /nfs/dbraw/zinc/20/99/15/344209915.db2.gz SFHHEEVEFGWZJM-UHFFFAOYSA-N 1 2 245.326 2.478 20 30 BEEDLO CCc1nocc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000590359995 347031899 /nfs/dbraw/zinc/03/18/99/347031899.db2.gz JGXJDHAOCWRDFU-ZDUSSCGKSA-N 1 2 233.315 2.363 20 30 BEEDLO CCc1nocc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000590359995 347031901 /nfs/dbraw/zinc/03/19/01/347031901.db2.gz JGXJDHAOCWRDFU-ZDUSSCGKSA-N 1 2 233.315 2.363 20 30 BEEDLO C=C[C@H]1CCCCN1c1nc[nH+]c(N)c1Cl ZINC000381205540 344191383 /nfs/dbraw/zinc/19/13/83/344191383.db2.gz GESUYYZNCXURKP-QMMMGPOBSA-N 1 2 238.722 2.257 20 30 BEEDLO CCc1cc(NCC(C)(C)CCC#N)nc[nH+]1 ZINC000588844934 344194645 /nfs/dbraw/zinc/19/46/45/344194645.db2.gz PSOQVRSIKWYTFT-UHFFFAOYSA-N 1 2 232.331 2.203 20 30 BEEDLO C=C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)C(=O)OC ZINC000600613314 344336660 /nfs/dbraw/zinc/33/66/60/344336660.db2.gz HLSMTIQHOURLAZ-VXGBXAGGSA-N 1 2 223.316 2.050 20 30 BEEDLO C=C[C@H]([NH2+]CC[C@H]1CC=CCC1)C(=O)OC ZINC000600613313 344336699 /nfs/dbraw/zinc/33/66/99/344336699.db2.gz HLSMTIQHOURLAZ-RYUDHWBXSA-N 1 2 223.316 2.050 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](CC)Cc1ccccc1 ZINC000306712656 344412540 /nfs/dbraw/zinc/41/25/40/344412540.db2.gz OWKYWIQVGACMHR-CYBMUJFWSA-N 1 2 233.311 2.236 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)Cc1ccccc1 ZINC000306712656 344412541 /nfs/dbraw/zinc/41/25/41/344412541.db2.gz OWKYWIQVGACMHR-CYBMUJFWSA-N 1 2 233.311 2.236 20 30 BEEDLO CC[N@@H+](Cc1ccccn1)C[C@@H](C)C#N ZINC000042449601 344454606 /nfs/dbraw/zinc/45/46/06/344454606.db2.gz VTXHDIJGSFVXOD-NSHDSACASA-N 1 2 203.289 2.063 20 30 BEEDLO CC[N@H+](Cc1ccccn1)C[C@@H](C)C#N ZINC000042449601 344454609 /nfs/dbraw/zinc/45/46/09/344454609.db2.gz VTXHDIJGSFVXOD-NSHDSACASA-N 1 2 203.289 2.063 20 30 BEEDLO N#Cc1ccc(C[NH2+]Cc2cscn2)s1 ZINC000135498469 344484426 /nfs/dbraw/zinc/48/44/26/344484426.db2.gz NUURBFSADZUJBE-UHFFFAOYSA-N 1 2 235.337 2.366 20 30 BEEDLO C=C[C@@H]([NH2+]CC1(CCC)CCC1)C(=O)OC ZINC000381378603 344499688 /nfs/dbraw/zinc/49/96/88/344499688.db2.gz KOYDGMSZFIATKA-LLVKDONJSA-N 1 2 225.332 2.274 20 30 BEEDLO CC#CCC[N@@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018708 344674471 /nfs/dbraw/zinc/67/44/71/344674471.db2.gz TYWSUGHSQPYHSW-UWVGGRQHSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CCC[N@H+]1CCO[C@H](C(F)(F)F)[C@@H]1C ZINC000626018708 344674473 /nfs/dbraw/zinc/67/44/73/344674473.db2.gz TYWSUGHSQPYHSW-UWVGGRQHSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CC[N@@H+]1Cc2cccc(OC)c2C1 ZINC000626021841 344677879 /nfs/dbraw/zinc/67/78/79/344677879.db2.gz RVBKKFVZMZORQB-UHFFFAOYSA-N 1 2 201.269 2.034 20 30 BEEDLO CC#CC[N@H+]1Cc2cccc(OC)c2C1 ZINC000626021841 344677881 /nfs/dbraw/zinc/67/78/81/344677881.db2.gz RVBKKFVZMZORQB-UHFFFAOYSA-N 1 2 201.269 2.034 20 30 BEEDLO CC[N@H+](CCc1ccccc1)[C@@H](C)C#N ZINC000181558694 347064036 /nfs/dbraw/zinc/06/40/36/347064036.db2.gz DNRYRMDLTUEZHR-LBPRGKRZSA-N 1 2 202.301 2.463 20 30 BEEDLO CC[N@@H+](CCc1ccccc1)[C@@H](C)C#N ZINC000181558694 347064039 /nfs/dbraw/zinc/06/40/39/347064039.db2.gz DNRYRMDLTUEZHR-LBPRGKRZSA-N 1 2 202.301 2.463 20 30 BEEDLO C#CC[N@@H+](Cc1cc(C(C)=O)no1)C1CCCC1 ZINC000491814171 259379442 /nfs/dbraw/zinc/37/94/42/259379442.db2.gz MJSMZQOYJWKNSU-UHFFFAOYSA-N 1 2 246.310 2.255 20 30 BEEDLO C#CC[N@H+](Cc1cc(C(C)=O)no1)C1CCCC1 ZINC000491814171 259379444 /nfs/dbraw/zinc/37/94/44/259379444.db2.gz MJSMZQOYJWKNSU-UHFFFAOYSA-N 1 2 246.310 2.255 20 30 BEEDLO C=CCC[N@@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000075886966 344786387 /nfs/dbraw/zinc/78/63/87/344786387.db2.gz APJWURWGGWMWPJ-SNVBAGLBSA-N 1 2 239.319 2.175 20 30 BEEDLO C=CCC[N@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000075886966 344786388 /nfs/dbraw/zinc/78/63/88/344786388.db2.gz APJWURWGGWMWPJ-SNVBAGLBSA-N 1 2 239.319 2.175 20 30 BEEDLO C=CC[N@@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000121635046 344931805 /nfs/dbraw/zinc/93/18/05/344931805.db2.gz NCWZIOVTNGJULP-UHFFFAOYSA-N 1 2 232.331 2.108 20 30 BEEDLO C=CC[N@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000121635046 344931806 /nfs/dbraw/zinc/93/18/06/344931806.db2.gz NCWZIOVTNGJULP-UHFFFAOYSA-N 1 2 232.331 2.108 20 30 BEEDLO NC(=[NH+]OCC1CC1)c1cccc(Cl)c1 ZINC000123914409 345021465 /nfs/dbraw/zinc/02/14/65/345021465.db2.gz GCEIPUPHJFHUSF-UHFFFAOYSA-N 1 2 224.691 2.387 20 30 BEEDLO CC[N@@H+](Cc1c(C)nn(C)c1C)C[C@H](C)C#N ZINC000154956143 345061322 /nfs/dbraw/zinc/06/13/22/345061322.db2.gz ZGCITQSMSVPGJX-SNVBAGLBSA-N 1 2 234.347 2.019 20 30 BEEDLO CC[N@H+](Cc1c(C)nn(C)c1C)C[C@H](C)C#N ZINC000154956143 345061324 /nfs/dbraw/zinc/06/13/24/345061324.db2.gz ZGCITQSMSVPGJX-SNVBAGLBSA-N 1 2 234.347 2.019 20 30 BEEDLO CO[C@H]1CCN(c2cc(C)[nH+]cc2C#N)C[C@H]1C ZINC000425266466 192085958 /nfs/dbraw/zinc/08/59/58/192085958.db2.gz IDBRRCVPYIVULB-YGRLFVJLSA-N 1 2 245.326 2.123 20 30 BEEDLO Cc1cc(NCCC2(C)CC2)c(C#N)c[nH+]1 ZINC000425258775 192086415 /nfs/dbraw/zinc/08/64/15/192086415.db2.gz KZHOULDEDCXJLH-UHFFFAOYSA-N 1 2 215.300 2.286 20 30 BEEDLO CO[C@@H]1CCN(c2cc(C)[nH+]cc2C#N)C[C@H]1C ZINC000425266465 192086475 /nfs/dbraw/zinc/08/64/75/192086475.db2.gz IDBRRCVPYIVULB-QMTHXVAHSA-N 1 2 245.326 2.123 20 30 BEEDLO Cc1cc(N[C@@H]2C[C@H]2C2CCC2)c(C#N)c[nH+]1 ZINC000425272909 192087542 /nfs/dbraw/zinc/08/75/42/192087542.db2.gz MVPQSVDHEHMKET-GXTWGEPZSA-N 1 2 227.311 2.284 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(COC)o1 ZINC000135041170 345430374 /nfs/dbraw/zinc/43/03/74/345430374.db2.gz AUIWYEQOWDQKIQ-JTQLQIEISA-N 1 2 222.288 2.208 20 30 BEEDLO N#CCC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000084134253 345511259 /nfs/dbraw/zinc/51/12/59/345511259.db2.gz QDNACWLCUCHQSZ-HNNXBMFYSA-N 1 2 244.338 2.234 20 30 BEEDLO N#CCC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000084134253 345511260 /nfs/dbraw/zinc/51/12/60/345511260.db2.gz QDNACWLCUCHQSZ-HNNXBMFYSA-N 1 2 244.338 2.234 20 30 BEEDLO CC[N@@H+](CCC#N)CCOc1ccc(F)cc1 ZINC000081040713 345459581 /nfs/dbraw/zinc/45/95/81/345459581.db2.gz SRZCHGXSBXVYBM-UHFFFAOYSA-N 1 2 236.290 2.440 20 30 BEEDLO CC[N@H+](CCC#N)CCOc1ccc(F)cc1 ZINC000081040713 345459582 /nfs/dbraw/zinc/45/95/82/345459582.db2.gz SRZCHGXSBXVYBM-UHFFFAOYSA-N 1 2 236.290 2.440 20 30 BEEDLO CC[N@H+](CCC#N)C[C@@H](O)c1ccccc1F ZINC000081514161 345482620 /nfs/dbraw/zinc/48/26/20/345482620.db2.gz QYDMMPFQJINSMI-CYBMUJFWSA-N 1 2 236.290 2.095 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@@H](O)c1ccccc1F ZINC000081514161 345482621 /nfs/dbraw/zinc/48/26/21/345482621.db2.gz QYDMMPFQJINSMI-CYBMUJFWSA-N 1 2 236.290 2.095 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCOCC23CCCC3)o1 ZINC000093840598 345665432 /nfs/dbraw/zinc/66/54/32/345665432.db2.gz NKVFYQAPBMDLCP-UHFFFAOYSA-N 1 2 246.310 2.296 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCOCC23CCCC3)o1 ZINC000093840598 345665434 /nfs/dbraw/zinc/66/54/34/345665434.db2.gz NKVFYQAPBMDLCP-UHFFFAOYSA-N 1 2 246.310 2.296 20 30 BEEDLO Cc1nc(NCc2ccc(C#N)cc2)cc[nH+]1 ZINC000054935930 345773110 /nfs/dbraw/zinc/77/31/10/345773110.db2.gz BKOMVLLUBLOSNJ-UHFFFAOYSA-N 1 2 224.267 2.269 20 30 BEEDLO C=CC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000626151487 345778100 /nfs/dbraw/zinc/77/81/00/345778100.db2.gz KRNVVQYZMRQKCH-UHFFFAOYSA-N 1 2 207.248 2.206 20 30 BEEDLO C=CC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000626151487 345778104 /nfs/dbraw/zinc/77/81/04/345778104.db2.gz KRNVVQYZMRQKCH-UHFFFAOYSA-N 1 2 207.248 2.206 20 30 BEEDLO C=C(C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC000381456357 345937868 /nfs/dbraw/zinc/93/78/68/345937868.db2.gz IMWNEBQXOTWSGV-UHFFFAOYSA-N 1 2 217.316 2.074 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635867185 346097669 /nfs/dbraw/zinc/09/76/69/346097669.db2.gz OIUUNANSWWOTFL-GFCCVEGCSA-N 1 2 247.342 2.082 20 30 BEEDLO C=CC(C)(C)CCNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000636250266 346367772 /nfs/dbraw/zinc/36/77/72/346367772.db2.gz WSWWXBIKNLQFGS-UHFFFAOYSA-N 1 2 249.358 2.233 20 30 BEEDLO C=CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000636168949 346342255 /nfs/dbraw/zinc/34/22/55/346342255.db2.gz FKDMCBJPVJUWCZ-LBPRGKRZSA-N 1 2 235.331 2.163 20 30 BEEDLO C=CCCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563383190 323122095 /nfs/dbraw/zinc/12/20/95/323122095.db2.gz KQZHSMNLYYFTSA-NSHDSACASA-N 1 2 235.331 2.013 20 30 BEEDLO C=CCCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563383190 323122096 /nfs/dbraw/zinc/12/20/96/323122096.db2.gz KQZHSMNLYYFTSA-NSHDSACASA-N 1 2 235.331 2.013 20 30 BEEDLO C=C(C)C[N@@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000679219775 488318614 /nfs/dbraw/zinc/31/86/14/488318614.db2.gz ULFZRXBFUIOUCJ-UHFFFAOYSA-N 1 2 234.343 2.333 20 30 BEEDLO C=C(C)C[N@H+](C)CC(=O)c1cc(C)n(C)c1C ZINC000679219775 488318615 /nfs/dbraw/zinc/31/86/15/488318615.db2.gz ULFZRXBFUIOUCJ-UHFFFAOYSA-N 1 2 234.343 2.333 20 30 BEEDLO COC[C@@H](C)C[N@H+](CCC#N)Cc1ccccn1 ZINC000187181894 346559911 /nfs/dbraw/zinc/55/99/11/346559911.db2.gz MJCYBFRLAAMZGF-ZDUSSCGKSA-N 1 2 247.342 2.080 20 30 BEEDLO COC[C@@H](C)C[N@@H+](CCC#N)Cc1ccccn1 ZINC000187181894 346559914 /nfs/dbraw/zinc/55/99/14/346559914.db2.gz MJCYBFRLAAMZGF-ZDUSSCGKSA-N 1 2 247.342 2.080 20 30 BEEDLO Cc1cn(Cc2ccc[nH+]c2C)cc1C#N ZINC000589266286 346681926 /nfs/dbraw/zinc/68/19/26/346681926.db2.gz QWBMXIDLGNSRGL-UHFFFAOYSA-N 1 2 211.268 2.420 20 30 BEEDLO Cc1nc(C)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000589257102 346682936 /nfs/dbraw/zinc/68/29/36/346682936.db2.gz REFIIBBRUUMTOK-VIFPVBQESA-N 1 2 233.315 2.416 20 30 BEEDLO Cc1nc(C)c(C[N@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000589257102 346682939 /nfs/dbraw/zinc/68/29/39/346682939.db2.gz REFIIBBRUUMTOK-VIFPVBQESA-N 1 2 233.315 2.416 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000183817112 347137049 /nfs/dbraw/zinc/13/70/49/347137049.db2.gz VLPHLCDURMCFOD-NSHDSACASA-N 1 2 240.310 2.326 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000590959823 347594654 /nfs/dbraw/zinc/59/46/54/347594654.db2.gz PJKKIGGINZTPAU-UHFFFAOYSA-N 1 2 229.327 2.210 20 30 BEEDLO C=CCC1(C[NH2+][C@@H](C=C)C(=O)OC)CCCC1 ZINC000591374767 347649921 /nfs/dbraw/zinc/64/99/21/347649921.db2.gz BFGVZXXOHICTMZ-LBPRGKRZSA-N 1 2 237.343 2.440 20 30 BEEDLO N#Cc1csc(C[NH+]2CCC3(CC3)CC2)n1 ZINC000591375673 347650463 /nfs/dbraw/zinc/65/04/63/347650463.db2.gz QFRKLUCMEOJVDM-UHFFFAOYSA-N 1 2 233.340 2.391 20 30 BEEDLO N#CCC[NH2+][C@H]1COc2c1cccc2Cl ZINC000591753851 347690764 /nfs/dbraw/zinc/69/07/64/347690764.db2.gz NCYDJHVHMCHBGE-JTQLQIEISA-N 1 2 222.675 2.277 20 30 BEEDLO CCC[C@@H]([NH2+]CCC#N)c1ccccn1 ZINC000591734544 347693868 /nfs/dbraw/zinc/69/38/68/347693868.db2.gz NXCFUCWUQPZVLP-LLVKDONJSA-N 1 2 203.289 2.426 20 30 BEEDLO Cc1cc(N2CC(C3CC3)C2)c(C#N)c[nH+]1 ZINC000591825132 347701984 /nfs/dbraw/zinc/70/19/84/347701984.db2.gz KZJJDZLQFSSJBO-UHFFFAOYSA-N 1 2 213.284 2.108 20 30 BEEDLO Cc1cc(N2CC[C@H](C(F)F)C2)c(C#N)c[nH+]1 ZINC000591824769 347702162 /nfs/dbraw/zinc/70/21/62/347702162.db2.gz XQXWDTXRQAHMFH-VIFPVBQESA-N 1 2 237.253 2.353 20 30 BEEDLO C[C@@H]1SCC[N@H+](Cc2ccncc2C#N)[C@H]1C ZINC000592069900 347727141 /nfs/dbraw/zinc/72/71/41/347727141.db2.gz YNDUXDOAXXNNDR-QWRGUYRKSA-N 1 2 247.367 2.279 20 30 BEEDLO C[C@@H]1SCC[N@@H+](Cc2ccncc2C#N)[C@H]1C ZINC000592069900 347727143 /nfs/dbraw/zinc/72/71/43/347727143.db2.gz YNDUXDOAXXNNDR-QWRGUYRKSA-N 1 2 247.367 2.279 20 30 BEEDLO CC[C@@H]1C[N@H+](Cc2ccncc2C#N)CCS1 ZINC000592070019 347727206 /nfs/dbraw/zinc/72/72/06/347727206.db2.gz BKOUYGOFHCGNNO-CYBMUJFWSA-N 1 2 247.367 2.281 20 30 BEEDLO CC[C@@H]1C[N@@H+](Cc2ccncc2C#N)CCS1 ZINC000592070019 347727209 /nfs/dbraw/zinc/72/72/09/347727209.db2.gz BKOUYGOFHCGNNO-CYBMUJFWSA-N 1 2 247.367 2.281 20 30 BEEDLO CC1(C)C[N@H+](Cc2ccncc2C#N)CCS1 ZINC000592071039 347727419 /nfs/dbraw/zinc/72/74/19/347727419.db2.gz CPYQAFFQTUWVNM-UHFFFAOYSA-N 1 2 247.367 2.281 20 30 BEEDLO CC1(C)C[N@@H+](Cc2ccncc2C#N)CCS1 ZINC000592071039 347727422 /nfs/dbraw/zinc/72/74/22/347727422.db2.gz CPYQAFFQTUWVNM-UHFFFAOYSA-N 1 2 247.367 2.281 20 30 BEEDLO C[C@H]1SCC[N@H+](Cc2ccncc2C#N)[C@H]1C ZINC000592069901 347727570 /nfs/dbraw/zinc/72/75/70/347727570.db2.gz YNDUXDOAXXNNDR-WDEREUQCSA-N 1 2 247.367 2.279 20 30 BEEDLO C[C@H]1SCC[N@@H+](Cc2ccncc2C#N)[C@H]1C ZINC000592069901 347727571 /nfs/dbraw/zinc/72/75/71/347727571.db2.gz YNDUXDOAXXNNDR-WDEREUQCSA-N 1 2 247.367 2.279 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)C[C@H](C)S1 ZINC000592072387 347727954 /nfs/dbraw/zinc/72/79/54/347727954.db2.gz JUNDHEVAMKWMCY-PHIMTYICSA-N 1 2 247.367 2.279 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccncc2C#N)C[C@H](C)S1 ZINC000592072387 347727956 /nfs/dbraw/zinc/72/79/56/347727956.db2.gz JUNDHEVAMKWMCY-PHIMTYICSA-N 1 2 247.367 2.279 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccncc1C#N ZINC000592116243 347735695 /nfs/dbraw/zinc/73/56/95/347735695.db2.gz GFUNWRDJSWYLQO-AWEZNQCLSA-N 1 2 227.311 2.494 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccncc1C#N ZINC000592116243 347735696 /nfs/dbraw/zinc/73/56/96/347735696.db2.gz GFUNWRDJSWYLQO-AWEZNQCLSA-N 1 2 227.311 2.494 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C(=O)OC ZINC000592446140 347780285 /nfs/dbraw/zinc/78/02/85/347780285.db2.gz WRHZWZHHTOXWKV-MCIONIFRSA-N 1 2 245.322 2.107 20 30 BEEDLO N#CC1(C[NH2+][C@@H](CCO)c2ccccc2F)CC1 ZINC000592159132 347746051 /nfs/dbraw/zinc/74/60/51/347746051.db2.gz CYRWIBNMOZTTGC-ZDUSSCGKSA-N 1 2 248.301 2.143 20 30 BEEDLO COc1ccccc1C1([NH2+]CCC#N)CC1 ZINC000592143083 347747924 /nfs/dbraw/zinc/74/79/24/347747924.db2.gz MWFLRCYGMLRRIM-UHFFFAOYSA-N 1 2 216.284 2.188 20 30 BEEDLO CC(C)Oc1cc[nH+]c(CN(C)CCC#N)c1 ZINC000593014909 347844743 /nfs/dbraw/zinc/84/47/43/347844743.db2.gz KDTGTUJIOSAINN-UHFFFAOYSA-N 1 2 233.315 2.214 20 30 BEEDLO Cc1cc(N2CC[C@@]3(CC3(F)F)C2)c(C#N)c[nH+]1 ZINC000593521163 347904116 /nfs/dbraw/zinc/90/41/16/347904116.db2.gz LOPZJWPVHPWYMV-GFCCVEGCSA-N 1 2 249.264 2.497 20 30 BEEDLO COCc1cc[nH+]c(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000593698518 347930561 /nfs/dbraw/zinc/93/05/61/347930561.db2.gz RIJGGWQEEVREEK-CMPLNLGQSA-N 1 2 231.299 2.332 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc2cnccc2o1 ZINC000593570056 347912556 /nfs/dbraw/zinc/91/25/56/347912556.db2.gz TVDHQOXJRPFNCP-JTQLQIEISA-N 1 2 229.283 2.419 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc2cnccc2o1 ZINC000593570056 347912558 /nfs/dbraw/zinc/91/25/58/347912558.db2.gz TVDHQOXJRPFNCP-JTQLQIEISA-N 1 2 229.283 2.419 20 30 BEEDLO C=CCCCCC[NH2+][C@H](C=C)C(=O)OC ZINC000594557061 348071282 /nfs/dbraw/zinc/07/12/82/348071282.db2.gz XCIXKANGUUPXTN-LLVKDONJSA-N 1 2 211.305 2.050 20 30 BEEDLO C[C@@H](NC(=O)CCCCCC#N)c1[nH]cc[nH+]1 ZINC000594421238 348050631 /nfs/dbraw/zinc/05/06/31/348050631.db2.gz QDBSPINKIFFJGT-SNVBAGLBSA-N 1 2 234.303 2.061 20 30 BEEDLO C=CCC[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000594714370 348105708 /nfs/dbraw/zinc/10/57/08/348105708.db2.gz YKPUUBQBJJFQBX-ZDUSSCGKSA-N 1 2 233.311 2.375 20 30 BEEDLO CC[N@@H+](Cc1cc(C)nc(C)n1)C[C@@H](C)C#N ZINC000595297962 348216803 /nfs/dbraw/zinc/21/68/03/348216803.db2.gz LNRKKKIUCCNOEA-JTQLQIEISA-N 1 2 232.331 2.075 20 30 BEEDLO CC[N@H+](Cc1cc(C)nc(C)n1)C[C@@H](C)C#N ZINC000595297962 348216805 /nfs/dbraw/zinc/21/68/05/348216805.db2.gz LNRKKKIUCCNOEA-JTQLQIEISA-N 1 2 232.331 2.075 20 30 BEEDLO C=CCCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178349005 187390708 /nfs/dbraw/zinc/39/07/08/187390708.db2.gz NAZHEQRHRCNICV-UHFFFAOYSA-N 1 2 243.310 2.307 20 30 BEEDLO Cc1cccnc1C[N@@H+](C)[C@H](C)CC#N ZINC000093189576 179373666 /nfs/dbraw/zinc/37/36/66/179373666.db2.gz VKDOMEBHBVLTPW-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1cccnc1C[N@H+](C)[C@H](C)CC#N ZINC000093189576 179373668 /nfs/dbraw/zinc/37/36/68/179373668.db2.gz VKDOMEBHBVLTPW-LLVKDONJSA-N 1 2 203.289 2.124 20 30 BEEDLO C=CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595413323 348241738 /nfs/dbraw/zinc/24/17/38/348241738.db2.gz YNNLFCXNSZOUGP-UHFFFAOYSA-N 1 2 237.259 2.042 20 30 BEEDLO C=CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595413323 348241742 /nfs/dbraw/zinc/24/17/42/348241742.db2.gz YNNLFCXNSZOUGP-UHFFFAOYSA-N 1 2 237.259 2.042 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595500432 348262727 /nfs/dbraw/zinc/26/27/27/348262727.db2.gz JKLVYHNRQYMRCU-LBPRGKRZSA-N 1 2 215.300 2.175 20 30 BEEDLO N#CCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595500432 348262728 /nfs/dbraw/zinc/26/27/28/348262728.db2.gz JKLVYHNRQYMRCU-LBPRGKRZSA-N 1 2 215.300 2.175 20 30 BEEDLO CCc1cnc(C[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595615777 348289084 /nfs/dbraw/zinc/28/90/84/348289084.db2.gz SVDYDRUZUQGPLW-LLVKDONJSA-N 1 2 233.315 2.363 20 30 BEEDLO CCc1cnc(C[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595615777 348289086 /nfs/dbraw/zinc/28/90/86/348289086.db2.gz SVDYDRUZUQGPLW-LLVKDONJSA-N 1 2 233.315 2.363 20 30 BEEDLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC000595615137 348289119 /nfs/dbraw/zinc/28/91/19/348289119.db2.gz GRWKULBUBNFSIX-QWRGUYRKSA-N 1 2 247.346 2.054 20 30 BEEDLO CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC000595615137 348289122 /nfs/dbraw/zinc/28/91/22/348289122.db2.gz GRWKULBUBNFSIX-QWRGUYRKSA-N 1 2 247.346 2.054 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCc2ccc(C)cc2C1 ZINC000595657178 348298134 /nfs/dbraw/zinc/29/81/34/348298134.db2.gz JZJFTUCXUAYSOZ-AWEZNQCLSA-N 1 2 245.322 2.081 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCc2ccc(C)cc2C1 ZINC000595657178 348298137 /nfs/dbraw/zinc/29/81/37/348298137.db2.gz JZJFTUCXUAYSOZ-AWEZNQCLSA-N 1 2 245.322 2.081 20 30 BEEDLO COC1(CC[N@H+]([C@@H](C)C#N)C2CC2)CCC1 ZINC000595710137 348322132 /nfs/dbraw/zinc/32/21/32/348322132.db2.gz NEEYEMFOMDHFIN-NSHDSACASA-N 1 2 222.332 2.322 20 30 BEEDLO COC1(CC[N@@H+]([C@@H](C)C#N)C2CC2)CCC1 ZINC000595710137 348322135 /nfs/dbraw/zinc/32/21/35/348322135.db2.gz NEEYEMFOMDHFIN-NSHDSACASA-N 1 2 222.332 2.322 20 30 BEEDLO Cc1c[nH+]ccc1CCN([C@H](C)C#N)C1CC1 ZINC000595709285 348320673 /nfs/dbraw/zinc/32/06/73/348320673.db2.gz DLRWFCPDNYGCJS-GFCCVEGCSA-N 1 2 229.327 2.309 20 30 BEEDLO C[C@H](C#N)[N@H+](CCCSCC#N)C1CC1 ZINC000595719957 348327019 /nfs/dbraw/zinc/32/70/19/348327019.db2.gz BZCBMXILDJZGSH-SNVBAGLBSA-N 1 2 223.345 2.010 20 30 BEEDLO C[C@H](C#N)[N@@H+](CCCSCC#N)C1CC1 ZINC000595719957 348327024 /nfs/dbraw/zinc/32/70/24/348327024.db2.gz BZCBMXILDJZGSH-SNVBAGLBSA-N 1 2 223.345 2.010 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000595835221 348369042 /nfs/dbraw/zinc/36/90/42/348369042.db2.gz PUYBNWSDVFMQFS-AWEZNQCLSA-N 1 2 248.301 2.440 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000595835221 348369043 /nfs/dbraw/zinc/36/90/43/348369043.db2.gz PUYBNWSDVFMQFS-AWEZNQCLSA-N 1 2 248.301 2.440 20 30 BEEDLO CCc1noc(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838442 348372103 /nfs/dbraw/zinc/37/21/03/348372103.db2.gz UISIXFVMCTZOER-CYBMUJFWSA-N 1 2 233.315 2.281 20 30 BEEDLO CCc1noc(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595838442 348372105 /nfs/dbraw/zinc/37/21/05/348372105.db2.gz UISIXFVMCTZOER-CYBMUJFWSA-N 1 2 233.315 2.281 20 30 BEEDLO C[C@@H](c1ccncc1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840650 348374513 /nfs/dbraw/zinc/37/45/13/348374513.db2.gz QXNDJQQHUPBJFC-WCQYABFASA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1ccncc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840650 348374515 /nfs/dbraw/zinc/37/45/15/348374515.db2.gz QXNDJQQHUPBJFC-WCQYABFASA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000595841082 348374991 /nfs/dbraw/zinc/37/49/91/348374991.db2.gz HIHNGAKJHZHJJZ-LBPRGKRZSA-N 1 2 231.324 2.355 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000595841082 348374994 /nfs/dbraw/zinc/37/49/94/348374994.db2.gz HIHNGAKJHZHJJZ-LBPRGKRZSA-N 1 2 231.324 2.355 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595840786 348375426 /nfs/dbraw/zinc/37/54/26/348375426.db2.gz FLWRYDIBRNEIRD-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595840786 348375427 /nfs/dbraw/zinc/37/54/27/348375427.db2.gz FLWRYDIBRNEIRD-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595841743 348377323 /nfs/dbraw/zinc/37/73/23/348377323.db2.gz NTBDYTNYVVFGRR-WCQYABFASA-N 1 2 230.315 2.082 20 30 BEEDLO Cc1cnc([C@H](C)[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595841743 348377324 /nfs/dbraw/zinc/37/73/24/348377324.db2.gz NTBDYTNYVVFGRR-WCQYABFASA-N 1 2 230.315 2.082 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000595843624 348381304 /nfs/dbraw/zinc/38/13/04/348381304.db2.gz LPWMGLDAHGBGRX-OAHLLOKOSA-N 1 2 242.297 2.413 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000595843624 348381307 /nfs/dbraw/zinc/38/13/07/348381307.db2.gz LPWMGLDAHGBGRX-OAHLLOKOSA-N 1 2 242.297 2.413 20 30 BEEDLO CC[N@H+](C[C@H](OC)C1CCCC1)[C@H](C)C#N ZINC000595818961 348359309 /nfs/dbraw/zinc/35/93/09/348359309.db2.gz QMINNSLHVTWHBC-YPMHNXCESA-N 1 2 224.348 2.426 20 30 BEEDLO CC[N@@H+](C[C@H](OC)C1CCCC1)[C@H](C)C#N ZINC000595818961 348359312 /nfs/dbraw/zinc/35/93/12/348359312.db2.gz QMINNSLHVTWHBC-YPMHNXCESA-N 1 2 224.348 2.426 20 30 BEEDLO CC[N@H+](CCC[C@H]1CCOC1)[C@H](C)C#N ZINC000595818948 348359359 /nfs/dbraw/zinc/35/93/59/348359359.db2.gz QIGHKPZBLMAKMO-NEPJUHHUSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[N@@H+](CCC[C@H]1CCOC1)[C@H](C)C#N ZINC000595818948 348359363 /nfs/dbraw/zinc/35/93/63/348359363.db2.gz QIGHKPZBLMAKMO-NEPJUHHUSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[N@H+](C[C@H](O)[C@H](C)c1ccccc1)[C@H](C)C#N ZINC000595818919 348359663 /nfs/dbraw/zinc/35/96/63/348359663.db2.gz PTSKIMVTRIYPOJ-NFAWXSAZSA-N 1 2 246.354 2.385 20 30 BEEDLO CC[N@@H+](C[C@H](O)[C@H](C)c1ccccc1)[C@H](C)C#N ZINC000595818919 348359665 /nfs/dbraw/zinc/35/96/65/348359665.db2.gz PTSKIMVTRIYPOJ-NFAWXSAZSA-N 1 2 246.354 2.385 20 30 BEEDLO CC[N@H+](C[C@@H](O)CCC(C)C)[C@@H](C)C#N ZINC000595820093 348360955 /nfs/dbraw/zinc/36/09/55/348360955.db2.gz JEQKGKKDMKRMFC-RYUDHWBXSA-N 1 2 212.337 2.017 20 30 BEEDLO CC[N@@H+](C[C@@H](O)CCC(C)C)[C@@H](C)C#N ZINC000595820093 348360960 /nfs/dbraw/zinc/36/09/60/348360960.db2.gz JEQKGKKDMKRMFC-RYUDHWBXSA-N 1 2 212.337 2.017 20 30 BEEDLO CC[N@H+](C[C@@H](O)CC1CCCC1)[C@H](C)C#N ZINC000595820680 348362291 /nfs/dbraw/zinc/36/22/91/348362291.db2.gz OXGVXOOAFUKZCC-YPMHNXCESA-N 1 2 224.348 2.162 20 30 BEEDLO CC[N@@H+](C[C@@H](O)CC1CCCC1)[C@H](C)C#N ZINC000595820680 348362293 /nfs/dbraw/zinc/36/22/93/348362293.db2.gz OXGVXOOAFUKZCC-YPMHNXCESA-N 1 2 224.348 2.162 20 30 BEEDLO CC[N@H+](C[C@H](OC)C1CCC1)[C@@H](C)C#N ZINC000595820970 348362752 /nfs/dbraw/zinc/36/27/52/348362752.db2.gz ZEXLBVNUEZPANW-JQWIXIFHSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@@H+](C[C@H](OC)C1CCC1)[C@@H](C)C#N ZINC000595820970 348362754 /nfs/dbraw/zinc/36/27/54/348362754.db2.gz ZEXLBVNUEZPANW-JQWIXIFHSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@H+](C[C@@H](O)C1CCCCC1)[C@H](C)C#N ZINC000595821435 348363622 /nfs/dbraw/zinc/36/36/22/348363622.db2.gz WFNVTOFXCWVZME-DGCLKSJQSA-N 1 2 224.348 2.162 20 30 BEEDLO CC[N@@H+](C[C@@H](O)C1CCCCC1)[C@H](C)C#N ZINC000595821435 348363626 /nfs/dbraw/zinc/36/36/26/348363626.db2.gz WFNVTOFXCWVZME-DGCLKSJQSA-N 1 2 224.348 2.162 20 30 BEEDLO C=C1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000264498653 187397538 /nfs/dbraw/zinc/39/75/38/187397538.db2.gz UZUHRJXVWZZQBN-UHFFFAOYSA-N 1 2 245.282 2.482 20 30 BEEDLO C=C1CC[NH+](Cc2ccoc2C(=O)OC)CC1 ZINC000264504238 187398028 /nfs/dbraw/zinc/39/80/28/187398028.db2.gz WBOQJQIOQFJPAI-UHFFFAOYSA-N 1 2 235.283 2.218 20 30 BEEDLO C[C@@H]1C[N@H+](CCCC#N)C[C@](C)(C(F)F)O1 ZINC000595922340 348401926 /nfs/dbraw/zinc/40/19/26/348401926.db2.gz OWFUKQPKWWLNQZ-MWLCHTKSSA-N 1 2 232.274 2.035 20 30 BEEDLO C[C@@H]1C[N@@H+](CCCC#N)C[C@](C)(C(F)F)O1 ZINC000595922340 348401929 /nfs/dbraw/zinc/40/19/29/348401929.db2.gz OWFUKQPKWWLNQZ-MWLCHTKSSA-N 1 2 232.274 2.035 20 30 BEEDLO C#CCCCCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001639427177 1172105332 /nfs/dbraw/zinc/10/53/32/1172105332.db2.gz BHRRXFVLHXGBSV-UHFFFAOYSA-N 1 2 247.342 2.343 20 30 BEEDLO C#CCCCCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001639427177 1172105336 /nfs/dbraw/zinc/10/53/36/1172105336.db2.gz BHRRXFVLHXGBSV-UHFFFAOYSA-N 1 2 247.342 2.343 20 30 BEEDLO N#CC[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000596321362 348506596 /nfs/dbraw/zinc/50/65/96/348506596.db2.gz HDDFPMLVPINHER-NSHDSACASA-N 1 2 201.273 2.212 20 30 BEEDLO Cc1ccc(C#N)c(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000596542204 348583736 /nfs/dbraw/zinc/58/37/36/348583736.db2.gz KVBWCKWLDLWZGY-SNVBAGLBSA-N 1 2 241.298 2.168 20 30 BEEDLO Cc1cc(NC[C@@H]2CCC[C@H](C)O2)c(C#N)c[nH+]1 ZINC000596479905 348556193 /nfs/dbraw/zinc/55/61/93/348556193.db2.gz WSHIWZUDUGIVFA-AAEUAGOBSA-N 1 2 245.326 2.053 20 30 BEEDLO COc1ccc(C[NH+]2CC(CC#N)C2)cc1F ZINC000597193524 348671383 /nfs/dbraw/zinc/67/13/83/348671383.db2.gz GIIOAEFWBCUDPT-UHFFFAOYSA-N 1 2 234.274 2.180 20 30 BEEDLO C[N@H+](Cc1ccnn1CC1CC1)CC(C)(C)C#N ZINC000597135202 348660680 /nfs/dbraw/zinc/66/06/80/348660680.db2.gz ISOTUVPFKYRWGC-UHFFFAOYSA-N 1 2 246.358 2.275 20 30 BEEDLO C[N@@H+](Cc1ccnn1CC1CC1)CC(C)(C)C#N ZINC000597135202 348660683 /nfs/dbraw/zinc/66/06/83/348660683.db2.gz ISOTUVPFKYRWGC-UHFFFAOYSA-N 1 2 246.358 2.275 20 30 BEEDLO COCc1csc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000596989842 348643369 /nfs/dbraw/zinc/64/33/69/348643369.db2.gz BCGUPIOMOIOQKD-JTQLQIEISA-N 1 2 238.356 2.486 20 30 BEEDLO COCc1csc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000596989842 348643370 /nfs/dbraw/zinc/64/33/70/348643370.db2.gz BCGUPIOMOIOQKD-JTQLQIEISA-N 1 2 238.356 2.486 20 30 BEEDLO N#CCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000597202731 348676175 /nfs/dbraw/zinc/67/61/75/348676175.db2.gz BEOQWRZVYOFLJR-UHFFFAOYSA-N 1 2 229.258 2.043 20 30 BEEDLO CC(C)(C)c1ncc(C[NH+]2CC(CC#N)C2)cn1 ZINC000597202710 348676402 /nfs/dbraw/zinc/67/64/02/348676402.db2.gz AFASDPJEFPCOPM-UHFFFAOYSA-N 1 2 244.342 2.120 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2[nH]nc3ccccc32)C1 ZINC000597229100 348697068 /nfs/dbraw/zinc/69/70/68/348697068.db2.gz JAKSNQWOXWXUSM-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2[nH]nc3ccccc32)C1 ZINC000597229100 348697069 /nfs/dbraw/zinc/69/70/69/348697069.db2.gz JAKSNQWOXWXUSM-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000597229100 348697070 /nfs/dbraw/zinc/69/70/70/348697070.db2.gz JAKSNQWOXWXUSM-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000597229100 348697071 /nfs/dbraw/zinc/69/70/71/348697071.db2.gz JAKSNQWOXWXUSM-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO Cc1ccoc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597228661 348697107 /nfs/dbraw/zinc/69/71/07/348697107.db2.gz FNWKVTLNXMONNB-LBPRGKRZSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1ccoc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597228661 348697109 /nfs/dbraw/zinc/69/71/09/348697109.db2.gz FNWKVTLNXMONNB-LBPRGKRZSA-N 1 2 204.273 2.324 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000597232379 348699700 /nfs/dbraw/zinc/69/97/00/348699700.db2.gz UAZFZSAPHMFKIX-AWEZNQCLSA-N 1 2 242.326 2.090 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000597232379 348699704 /nfs/dbraw/zinc/69/97/04/348699704.db2.gz UAZFZSAPHMFKIX-AWEZNQCLSA-N 1 2 242.326 2.090 20 30 BEEDLO C=C1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000264491470 192373464 /nfs/dbraw/zinc/37/34/64/192373464.db2.gz SUIIBQLZQVTLGE-UHFFFAOYSA-N 1 2 245.282 2.482 20 30 BEEDLO CCOc1ccccc1C[NH2+]C[C@@H](C)C#N ZINC000054179264 348891133 /nfs/dbraw/zinc/89/11/33/348891133.db2.gz JAUDKYLQHLZYNT-NSHDSACASA-N 1 2 218.300 2.335 20 30 BEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000598621569 349003043 /nfs/dbraw/zinc/00/30/43/349003043.db2.gz AGYZKTFTZUGFIM-SNVBAGLBSA-N 1 2 246.301 2.018 20 30 BEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000598621569 349003046 /nfs/dbraw/zinc/00/30/46/349003046.db2.gz AGYZKTFTZUGFIM-SNVBAGLBSA-N 1 2 246.301 2.018 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)CC#N ZINC000598848638 349048699 /nfs/dbraw/zinc/04/86/99/349048699.db2.gz XETZCFNLMVAKLO-VIFPVBQESA-N 1 2 217.272 2.187 20 30 BEEDLO Cc1ccc(CN(C)Cc2[nH]cc[nH+]2)cc1C#N ZINC000599337985 349151332 /nfs/dbraw/zinc/15/13/32/349151332.db2.gz NXRFDFWBGVIZRG-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1ccc(C[N@H+](C)Cc2ncc[nH]2)cc1C#N ZINC000599337985 349151334 /nfs/dbraw/zinc/15/13/34/349151334.db2.gz NXRFDFWBGVIZRG-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1ccc(C[N@@H+](C)Cc2ncc[nH]2)cc1C#N ZINC000599337985 349151336 /nfs/dbraw/zinc/15/13/36/349151336.db2.gz NXRFDFWBGVIZRG-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599641364 349238834 /nfs/dbraw/zinc/23/88/34/349238834.db2.gz GRDNEJWTXDKUPT-AWEZNQCLSA-N 1 2 248.301 2.119 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000599641364 349238835 /nfs/dbraw/zinc/23/88/35/349238835.db2.gz GRDNEJWTXDKUPT-AWEZNQCLSA-N 1 2 248.301 2.119 20 30 BEEDLO C[C@@H]1C[NH+](CCC#N)C[C@@H](C)C1(F)F ZINC000599514218 349204290 /nfs/dbraw/zinc/20/42/90/349204290.db2.gz VMQVYPCXUVOWOR-RKDXNWHRSA-N 1 2 202.248 2.123 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccon2)CCCCC1 ZINC000602027958 349420866 /nfs/dbraw/zinc/42/08/66/349420866.db2.gz KDGOIRKCKNGECM-UHFFFAOYSA-N 1 2 219.288 2.238 20 30 BEEDLO CC#CC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000409444865 191012180 /nfs/dbraw/zinc/01/21/80/191012180.db2.gz YFWCWXOLIPIYAW-UHFFFAOYSA-N 1 2 248.757 2.485 20 30 BEEDLO C=CCN(C)C(=O)Nc1cc[nH+]cc1C ZINC000157700467 166318703 /nfs/dbraw/zinc/31/87/03/166318703.db2.gz BCEWVGZLWZYKTI-UHFFFAOYSA-N 1 2 205.261 2.040 20 30 BEEDLO COCC[N@H+](Cc1cccc(F)c1C#N)C1CC1 ZINC000428421563 191054365 /nfs/dbraw/zinc/05/43/65/191054365.db2.gz JMTJNPMVWHHTOR-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO COCC[N@@H+](Cc1cccc(F)c1C#N)C1CC1 ZINC000428421563 191054367 /nfs/dbraw/zinc/05/43/67/191054367.db2.gz JMTJNPMVWHHTOR-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cn[nH]c1 ZINC000428430506 191058524 /nfs/dbraw/zinc/05/85/24/191058524.db2.gz NCACLSWVSLFMJE-SECBINFHSA-N 1 2 244.273 2.271 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCc1cccc(C)n1 ZINC000563954530 323334678 /nfs/dbraw/zinc/33/46/78/323334678.db2.gz PNAJEKOBUQZMQK-UHFFFAOYSA-N 1 2 229.327 2.334 20 30 BEEDLO C=CC[N@H+](CCC#N)CCc1cccc(C)n1 ZINC000563954530 323334683 /nfs/dbraw/zinc/33/46/83/323334683.db2.gz PNAJEKOBUQZMQK-UHFFFAOYSA-N 1 2 229.327 2.334 20 30 BEEDLO CC#CC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000336686579 350443319 /nfs/dbraw/zinc/44/33/19/350443319.db2.gz WSHFPBJFBSATOB-UHFFFAOYSA-N 1 2 221.250 2.346 20 30 BEEDLO CC#CC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000336686579 350443321 /nfs/dbraw/zinc/44/33/21/350443321.db2.gz WSHFPBJFBSATOB-UHFFFAOYSA-N 1 2 221.250 2.346 20 30 BEEDLO C[C@@H](O)CCC[N@H+](CCC#N)Cc1ccco1 ZINC000336726379 350482976 /nfs/dbraw/zinc/48/29/76/350482976.db2.gz VLYYKJULTJCOFG-GFCCVEGCSA-N 1 2 236.315 2.156 20 30 BEEDLO C[C@@H](O)CCC[N@@H+](CCC#N)Cc1ccco1 ZINC000336726379 350482979 /nfs/dbraw/zinc/48/29/79/350482979.db2.gz VLYYKJULTJCOFG-GFCCVEGCSA-N 1 2 236.315 2.156 20 30 BEEDLO Cc1cnc(CC[N@H+](C)CCC#N)c(C)c1 ZINC000401175736 362974371 /nfs/dbraw/zinc/97/43/71/362974371.db2.gz QRVCPSKTUBQGDM-UHFFFAOYSA-N 1 2 217.316 2.086 20 30 BEEDLO Cc1cnc(CC[N@@H+](C)CCC#N)c(C)c1 ZINC000401175736 362974378 /nfs/dbraw/zinc/97/43/78/362974378.db2.gz QRVCPSKTUBQGDM-UHFFFAOYSA-N 1 2 217.316 2.086 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc2cccnc2s1 ZINC000339757060 350817535 /nfs/dbraw/zinc/81/75/35/350817535.db2.gz HEUAIRUGPADOFF-UHFFFAOYSA-N 1 2 231.324 2.146 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc2cccnc2s1 ZINC000339757060 350817537 /nfs/dbraw/zinc/81/75/37/350817537.db2.gz HEUAIRUGPADOFF-UHFFFAOYSA-N 1 2 231.324 2.146 20 30 BEEDLO C=CCCSc1nc(N)cc(CC)[nH+]1 ZINC000336683647 350911135 /nfs/dbraw/zinc/91/11/35/350911135.db2.gz JGLRVXCCAFIEGL-UHFFFAOYSA-N 1 2 209.318 2.120 20 30 BEEDLO CCc1ccc(C[N@H+](C)C[C@@H](C)C#N)o1 ZINC000271145921 351405036 /nfs/dbraw/zinc/40/50/36/351405036.db2.gz YFLPOLWLINQSTD-JTQLQIEISA-N 1 2 206.289 2.433 20 30 BEEDLO CCc1ccc(C[N@@H+](C)C[C@@H](C)C#N)o1 ZINC000271145921 351405041 /nfs/dbraw/zinc/40/50/41/351405041.db2.gz YFLPOLWLINQSTD-JTQLQIEISA-N 1 2 206.289 2.433 20 30 BEEDLO Cn1cc[nH+]c1CNc1c(F)cc(C#N)cc1F ZINC000133616482 351399379 /nfs/dbraw/zinc/39/93/79/351399379.db2.gz JAZXROFVBSPHQX-UHFFFAOYSA-N 1 2 248.236 2.182 20 30 BEEDLO C#CCOc1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC000271137061 351403999 /nfs/dbraw/zinc/40/39/99/351403999.db2.gz SJTCHZZKTXXUBD-CYBMUJFWSA-N 1 2 242.322 2.290 20 30 BEEDLO C#CCOc1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC000271137061 351404003 /nfs/dbraw/zinc/40/40/03/351404003.db2.gz SJTCHZZKTXXUBD-CYBMUJFWSA-N 1 2 242.322 2.290 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000271707913 351428726 /nfs/dbraw/zinc/42/87/26/351428726.db2.gz GBFLIYQUCIPUJU-LLVKDONJSA-N 1 2 242.326 2.307 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000271707913 351428729 /nfs/dbraw/zinc/42/87/29/351428729.db2.gz GBFLIYQUCIPUJU-LLVKDONJSA-N 1 2 242.326 2.307 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(C)cn1 ZINC000088135351 351625081 /nfs/dbraw/zinc/62/50/81/351625081.db2.gz DKRRZLVLYOYRJY-NSHDSACASA-N 1 2 203.289 2.172 20 30 BEEDLO C[C@H]1COCC[C@@H]1/[NH+]=C/c1ccccc1O ZINC000277281177 351695647 /nfs/dbraw/zinc/69/56/47/351695647.db2.gz IVQVCXLWCLOCDJ-ACULBNTFSA-N 1 2 219.284 2.236 20 30 BEEDLO C[C@@H](O)CCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405124649 351855349 /nfs/dbraw/zinc/85/53/49/351855349.db2.gz NBWQODXUJCVTNV-LLVKDONJSA-N 1 2 230.311 2.035 20 30 BEEDLO C[C@@H](O)CCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405124649 351855352 /nfs/dbraw/zinc/85/53/52/351855352.db2.gz NBWQODXUJCVTNV-LLVKDONJSA-N 1 2 230.311 2.035 20 30 BEEDLO C[C@@H](/[NH+]=C/c1ccccc1O)[C@@H]1CCOC1 ZINC000281039510 351873246 /nfs/dbraw/zinc/87/32/46/351873246.db2.gz PGNHAEGWARCDMR-HVBAWBJTSA-N 1 2 219.284 2.236 20 30 BEEDLO Cc1nn(C(C)C)cc1C[N@H+](C)C[C@H](C)C#N ZINC000281507371 351895510 /nfs/dbraw/zinc/89/55/10/351895510.db2.gz HCRNGQQXSHQTOV-LLVKDONJSA-N 1 2 234.347 2.364 20 30 BEEDLO Cc1nn(C(C)C)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000281507371 351895514 /nfs/dbraw/zinc/89/55/14/351895514.db2.gz HCRNGQQXSHQTOV-LLVKDONJSA-N 1 2 234.347 2.364 20 30 BEEDLO Cc1cccc(C)c1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000283863919 351985487 /nfs/dbraw/zinc/98/54/87/351985487.db2.gz CHVMYVPLTIZAIQ-CYBMUJFWSA-N 1 2 248.326 2.271 20 30 BEEDLO COC(=O)C(C)(C)CC/[NH+]=C/c1ccccc1O ZINC000285216158 352029090 /nfs/dbraw/zinc/02/90/90/352029090.db2.gz FHFZRYXGKKIRGP-XNTDXEJSSA-N 1 2 249.310 2.400 20 30 BEEDLO CC(C)=CCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000288599914 352156678 /nfs/dbraw/zinc/15/66/78/352156678.db2.gz MOTAPXNVNNQIBI-LLVKDONJSA-N 1 2 228.336 2.303 20 30 BEEDLO Cc1cnn(C)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000289333261 352180646 /nfs/dbraw/zinc/18/06/46/352180646.db2.gz LBJIUGUZNYXZIW-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO Cc1cnn(C)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000289333261 352180649 /nfs/dbraw/zinc/18/06/49/352180649.db2.gz LBJIUGUZNYXZIW-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO C=CC[N@H+](CCC#N)CCc1ccncc1 ZINC000292218041 352307979 /nfs/dbraw/zinc/30/79/79/352307979.db2.gz OVOZEPAFHKUMOT-UHFFFAOYSA-N 1 2 215.300 2.026 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCc1ccncc1 ZINC000292218041 352307983 /nfs/dbraw/zinc/30/79/83/352307983.db2.gz OVOZEPAFHKUMOT-UHFFFAOYSA-N 1 2 215.300 2.026 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCC(=O)C(C)C ZINC000292274930 352311301 /nfs/dbraw/zinc/31/13/01/352311301.db2.gz SLZQAIIAVBKECR-UHFFFAOYSA-N 1 2 208.305 2.003 20 30 BEEDLO C=CC[N@H+](CCC#N)CCC(=O)C(C)C ZINC000292274930 352311304 /nfs/dbraw/zinc/31/13/04/352311304.db2.gz SLZQAIIAVBKECR-UHFFFAOYSA-N 1 2 208.305 2.003 20 30 BEEDLO C[C@@H]1C[N@H+](CCC#N)Cc2ccccc2O1 ZINC000292539491 352324711 /nfs/dbraw/zinc/32/47/11/352324711.db2.gz XPCRZHNSRFFTIH-LLVKDONJSA-N 1 2 216.284 2.183 20 30 BEEDLO C[C@@H]1C[N@@H+](CCC#N)Cc2ccccc2O1 ZINC000292539491 352324712 /nfs/dbraw/zinc/32/47/12/352324712.db2.gz XPCRZHNSRFFTIH-LLVKDONJSA-N 1 2 216.284 2.183 20 30 BEEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000411328796 191177821 /nfs/dbraw/zinc/17/78/21/191177821.db2.gz JNYWJPOFKPHGOI-DGCLKSJQSA-N 1 2 234.299 2.345 20 30 BEEDLO C[C@H](CCC#N)[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000411328796 191177823 /nfs/dbraw/zinc/17/78/23/191177823.db2.gz JNYWJPOFKPHGOI-DGCLKSJQSA-N 1 2 234.299 2.345 20 30 BEEDLO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000411328785 191178018 /nfs/dbraw/zinc/17/80/18/191178018.db2.gz JNYWJPOFKPHGOI-AAEUAGOBSA-N 1 2 234.299 2.345 20 30 BEEDLO C[C@@H](CCC#N)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000411328785 191178021 /nfs/dbraw/zinc/17/80/21/191178021.db2.gz JNYWJPOFKPHGOI-AAEUAGOBSA-N 1 2 234.299 2.345 20 30 BEEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1CCC#N ZINC000411677397 191205342 /nfs/dbraw/zinc/20/53/42/191205342.db2.gz KYTKJJOGFKENCR-LBPRGKRZSA-N 1 2 232.331 2.344 20 30 BEEDLO N#CCC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000298337155 352500020 /nfs/dbraw/zinc/50/00/20/352500020.db2.gz BHBCVIDLHWNIIY-UHFFFAOYSA-N 1 2 233.290 2.256 20 30 BEEDLO C=C(Br)C[N@H+]1CCSC[C@@H]1C ZINC000172436416 188079874 /nfs/dbraw/zinc/07/98/74/188079874.db2.gz JXHMHACARHCWNW-QMMMGPOBSA-N 1 2 236.178 2.332 20 30 BEEDLO C=C(Br)C[N@@H+]1CCSC[C@@H]1C ZINC000172436416 188079875 /nfs/dbraw/zinc/07/98/75/188079875.db2.gz JXHMHACARHCWNW-QMMMGPOBSA-N 1 2 236.178 2.332 20 30 BEEDLO C#CCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000270609329 188089476 /nfs/dbraw/zinc/08/94/76/188089476.db2.gz NATTULLPTFMUML-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO C#CCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000270609329 188089478 /nfs/dbraw/zinc/08/94/78/188089478.db2.gz NATTULLPTFMUML-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO C=CC[C@@H](C)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000271204299 188090435 /nfs/dbraw/zinc/09/04/35/188090435.db2.gz QUNWBWYSWPWQNR-SNVBAGLBSA-N 1 2 249.362 2.438 20 30 BEEDLO C=CC[C@@H](C)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000271204299 188090437 /nfs/dbraw/zinc/09/04/37/188090437.db2.gz QUNWBWYSWPWQNR-SNVBAGLBSA-N 1 2 249.362 2.438 20 30 BEEDLO C#CC[N@@H+](CC(=O)Nc1cccc(C)c1)C1CC1 ZINC000274158953 188091868 /nfs/dbraw/zinc/09/18/68/188091868.db2.gz LYZZXRIESDAAMH-UHFFFAOYSA-N 1 2 242.322 2.031 20 30 BEEDLO C#CC[N@H+](CC(=O)Nc1cccc(C)c1)C1CC1 ZINC000274158953 188091869 /nfs/dbraw/zinc/09/18/69/188091869.db2.gz LYZZXRIESDAAMH-UHFFFAOYSA-N 1 2 242.322 2.031 20 30 BEEDLO C=C1CC[NH+](Cc2occc2C(=O)OC)CC1 ZINC000264477512 188086965 /nfs/dbraw/zinc/08/69/65/188086965.db2.gz PDYUWWIGCQRQBV-UHFFFAOYSA-N 1 2 235.283 2.218 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000266939789 188088149 /nfs/dbraw/zinc/08/81/49/188088149.db2.gz RAPBWWZAUAHAEA-UHFFFAOYSA-N 1 2 248.282 2.059 20 30 BEEDLO C#CC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000266939789 188088150 /nfs/dbraw/zinc/08/81/50/188088150.db2.gz RAPBWWZAUAHAEA-UHFFFAOYSA-N 1 2 248.282 2.059 20 30 BEEDLO CC[C@@]1(C)C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000191153156 188172870 /nfs/dbraw/zinc/17/28/70/188172870.db2.gz ICMBHKUBPOKUIG-ZDUSSCGKSA-N 1 2 234.299 2.152 20 30 BEEDLO CC[C@@]1(C)C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000191153156 188172872 /nfs/dbraw/zinc/17/28/72/188172872.db2.gz ICMBHKUBPOKUIG-ZDUSSCGKSA-N 1 2 234.299 2.152 20 30 BEEDLO C=CCCC[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000071275479 353264370 /nfs/dbraw/zinc/26/43/70/353264370.db2.gz JVYKANBLBTXVGI-ZDUSSCGKSA-N 1 2 233.311 2.457 20 30 BEEDLO C=CCCC[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000071275478 353264568 /nfs/dbraw/zinc/26/45/68/353264568.db2.gz JVYKANBLBTXVGI-CYBMUJFWSA-N 1 2 233.311 2.457 20 30 BEEDLO C=CCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000160565167 353266081 /nfs/dbraw/zinc/26/60/81/353266081.db2.gz FBONYAIUKFWZRH-UHFFFAOYSA-N 1 2 217.316 2.286 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000191197384 353446242 /nfs/dbraw/zinc/44/62/42/353446242.db2.gz IVMGXPZBCWBTMK-MXWKQRLJSA-N 1 2 243.734 2.012 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000191197384 353446244 /nfs/dbraw/zinc/44/62/44/353446244.db2.gz IVMGXPZBCWBTMK-MXWKQRLJSA-N 1 2 243.734 2.012 20 30 BEEDLO C#CC[NH+](CC#C)CC1=Cc2ccccc2OC1 ZINC000093461486 353487481 /nfs/dbraw/zinc/48/74/81/353487481.db2.gz QRRHFLCBMCXMJK-UHFFFAOYSA-N 1 2 237.302 2.031 20 30 BEEDLO C=CC[N@@H+](Cc1ncnn1C(C)(C)C)C1CC1 ZINC000283175735 353491852 /nfs/dbraw/zinc/49/18/52/353491852.db2.gz PTTXKCLMDIJHQL-UHFFFAOYSA-N 1 2 234.347 2.184 20 30 BEEDLO C=CC[N@H+](Cc1ncnn1C(C)(C)C)C1CC1 ZINC000283175735 353491853 /nfs/dbraw/zinc/49/18/53/353491853.db2.gz PTTXKCLMDIJHQL-UHFFFAOYSA-N 1 2 234.347 2.184 20 30 BEEDLO C=CC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000287556227 353578889 /nfs/dbraw/zinc/57/88/89/353578889.db2.gz WRTRBHLSUSAUDK-LLVKDONJSA-N 1 2 246.358 2.498 20 30 BEEDLO C=CC[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000287556227 353578892 /nfs/dbraw/zinc/57/88/92/353578892.db2.gz WRTRBHLSUSAUDK-LLVKDONJSA-N 1 2 246.358 2.498 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1nc2ccccc2n1C ZINC000135835700 353585034 /nfs/dbraw/zinc/58/50/34/353585034.db2.gz MTBUQZWXSMQGCO-UHFFFAOYSA-N 1 2 235.718 2.415 20 30 BEEDLO C#CC[N@@H+](Cc1c(C)cc(C)nc1OC)C1CC1 ZINC000287969257 353594330 /nfs/dbraw/zinc/59/43/30/353594330.db2.gz ZEVAOWDYBFCDBC-UHFFFAOYSA-N 1 2 244.338 2.305 20 30 BEEDLO C#CC[N@H+](Cc1c(C)cc(C)nc1OC)C1CC1 ZINC000287969257 353594333 /nfs/dbraw/zinc/59/43/33/353594333.db2.gz ZEVAOWDYBFCDBC-UHFFFAOYSA-N 1 2 244.338 2.305 20 30 BEEDLO Cc1ccnc([C@@H](C)[NH2+]C[C@H](C)C#N)c1 ZINC000308829430 353552320 /nfs/dbraw/zinc/55/23/20/353552320.db2.gz FQWQONFAANLTBV-GHMZBOCLSA-N 1 2 203.289 2.200 20 30 BEEDLO C#CCCCCC(=O)OCc1c[nH+]ccc1OC ZINC000287203662 353573326 /nfs/dbraw/zinc/57/33/26/353573326.db2.gz NDSFCIARABFEFY-UHFFFAOYSA-N 1 2 247.294 2.327 20 30 BEEDLO C#CC[N@H+](CC(=O)OC)[C@@H](CC)c1ccccc1 ZINC000136115023 353609947 /nfs/dbraw/zinc/60/99/47/353609947.db2.gz AJYDFDDARXVTHF-AWEZNQCLSA-N 1 2 245.322 2.246 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC)[C@@H](CC)c1ccccc1 ZINC000136115023 353609949 /nfs/dbraw/zinc/60/99/49/353609949.db2.gz AJYDFDDARXVTHF-AWEZNQCLSA-N 1 2 245.322 2.246 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cnc([C@H](C)O)s1 ZINC000289025893 353616927 /nfs/dbraw/zinc/61/69/27/353616927.db2.gz GPJNJIJCBHIBJV-JTQLQIEISA-N 1 2 238.356 2.370 20 30 BEEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1cnccn1 ZINC000184491375 353671030 /nfs/dbraw/zinc/67/10/30/353671030.db2.gz VOQXHDGHKCAPHO-MNOVXSKESA-N 1 2 218.304 2.019 20 30 BEEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1cnccn1 ZINC000184491375 353671034 /nfs/dbraw/zinc/67/10/34/353671034.db2.gz VOQXHDGHKCAPHO-MNOVXSKESA-N 1 2 218.304 2.019 20 30 BEEDLO C=CC[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000184585999 353684552 /nfs/dbraw/zinc/68/45/52/353684552.db2.gz XBADFKGVIKJEGG-LLVKDONJSA-N 1 2 237.372 2.008 20 30 BEEDLO CC#CC[N@H+](C)Cc1nccn1-c1ccccc1 ZINC000293199111 353735219 /nfs/dbraw/zinc/73/52/19/353735219.db2.gz QSIQZFUHOOBPNC-UHFFFAOYSA-N 1 2 239.322 2.327 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nccn1-c1ccccc1 ZINC000293199111 353735222 /nfs/dbraw/zinc/73/52/22/353735222.db2.gz QSIQZFUHOOBPNC-UHFFFAOYSA-N 1 2 239.322 2.327 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)C1CC1 ZINC000293035029 353736121 /nfs/dbraw/zinc/73/61/21/353736121.db2.gz WPFRWFQYUFAOOT-UHFFFAOYSA-N 1 2 234.347 2.253 20 30 BEEDLO C=CC[N@H+](Cc1nnc(C(C)(C)C)[nH]1)C1CC1 ZINC000293035029 353736123 /nfs/dbraw/zinc/73/61/23/353736123.db2.gz WPFRWFQYUFAOOT-UHFFFAOYSA-N 1 2 234.347 2.253 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000293056387 353736911 /nfs/dbraw/zinc/73/69/11/353736911.db2.gz IFQLTABMWXCUBI-UHFFFAOYSA-N 1 2 241.294 2.192 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000293056387 353736915 /nfs/dbraw/zinc/73/69/15/353736915.db2.gz IFQLTABMWXCUBI-UHFFFAOYSA-N 1 2 241.294 2.192 20 30 BEEDLO C#CCC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293239870 353742498 /nfs/dbraw/zinc/74/24/98/353742498.db2.gz SSFRCNQLZRCMMM-UHFFFAOYSA-N 1 2 237.306 2.211 20 30 BEEDLO C#CCC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293239870 353742501 /nfs/dbraw/zinc/74/25/01/353742501.db2.gz SSFRCNQLZRCMMM-UHFFFAOYSA-N 1 2 237.306 2.211 20 30 BEEDLO CC#CC[N@H+](C)Cc1cccc(F)c1F ZINC000293348617 353746315 /nfs/dbraw/zinc/74/63/15/353746315.db2.gz ZECSNUCHKWKLDT-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cccc(F)c1F ZINC000293348617 353746318 /nfs/dbraw/zinc/74/63/18/353746318.db2.gz ZECSNUCHKWKLDT-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccsc1C ZINC000295427350 353807289 /nfs/dbraw/zinc/80/72/89/353807289.db2.gz SSYPWXVAYMWDAP-UHFFFAOYSA-N 1 2 203.310 2.125 20 30 BEEDLO CC(C)[N@H+](CC#Cc1ccccc1)C1COC1 ZINC000295586387 353809944 /nfs/dbraw/zinc/80/99/44/353809944.db2.gz ZWXLTCXVDHLISC-UHFFFAOYSA-N 1 2 229.323 2.147 20 30 BEEDLO CC(C)[N@@H+](CC#Cc1ccccc1)C1COC1 ZINC000295586387 353809947 /nfs/dbraw/zinc/80/99/47/353809947.db2.gz ZWXLTCXVDHLISC-UHFFFAOYSA-N 1 2 229.323 2.147 20 30 BEEDLO C#CC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000066853192 353818016 /nfs/dbraw/zinc/81/80/16/353818016.db2.gz JMCQWDPUVKAQDS-OCCSQVGLSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000066853192 353818019 /nfs/dbraw/zinc/81/80/19/353818019.db2.gz JMCQWDPUVKAQDS-OCCSQVGLSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CCN(C(=O)Nc1c(C)cc[nH+]c1C)C1CC1 ZINC000297019605 353838581 /nfs/dbraw/zinc/83/85/81/353838581.db2.gz LKWPRRUZCLQMLN-UHFFFAOYSA-N 1 2 243.310 2.328 20 30 BEEDLO N#CCCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157764238 181035911 /nfs/dbraw/zinc/03/59/11/181035911.db2.gz GPMYOSWVPJMOBT-LLVKDONJSA-N 1 2 236.340 2.425 20 30 BEEDLO N#CCCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157764238 181035914 /nfs/dbraw/zinc/03/59/14/181035914.db2.gz GPMYOSWVPJMOBT-LLVKDONJSA-N 1 2 236.340 2.425 20 30 BEEDLO N#Cc1cccc(C2([NH2+]Cc3ncc[nH]3)CC2)c1 ZINC000269593650 181136421 /nfs/dbraw/zinc/13/64/21/181136421.db2.gz FHCAOFOUQIDPKX-UHFFFAOYSA-N 1 2 238.294 2.060 20 30 BEEDLO CC[C@@]1(C)COCC[N@@H+]1CC1(C#N)CCC1 ZINC000334798013 354552659 /nfs/dbraw/zinc/55/26/59/354552659.db2.gz OXWZALHWSILZKJ-LBPRGKRZSA-N 1 2 222.332 2.181 20 30 BEEDLO CC[C@@]1(C)COCC[N@H+]1CC1(C#N)CCC1 ZINC000334798013 354552660 /nfs/dbraw/zinc/55/26/60/354552660.db2.gz OXWZALHWSILZKJ-LBPRGKRZSA-N 1 2 222.332 2.181 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000226925252 181145943 /nfs/dbraw/zinc/14/59/43/181145943.db2.gz NVHAGPJIFNQDST-CABCVRRESA-N 1 2 242.322 2.312 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000226925252 181145944 /nfs/dbraw/zinc/14/59/44/181145944.db2.gz NVHAGPJIFNQDST-CABCVRRESA-N 1 2 242.322 2.312 20 30 BEEDLO C=C[C@H]([NH2+][C@H](C)C1CCCCC1)C(=O)OC ZINC000301053044 363395228 /nfs/dbraw/zinc/39/52/28/363395228.db2.gz XJGXWOCKMIEKKQ-PWSUYJOCSA-N 1 2 225.332 2.272 20 30 BEEDLO N#Cc1ccnc(NCc2cn3ccccc3[nH+]2)c1 ZINC000341349963 181157530 /nfs/dbraw/zinc/15/75/30/181157530.db2.gz BSYXLLFTLIQDFD-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO CCC[N@H+](CC#N)C[C@H]1CCO[C@H](CC)C1 ZINC000357000964 535272872 /nfs/dbraw/zinc/27/28/72/535272872.db2.gz XEXBOCVATDHBCH-QWHCGFSZSA-N 1 2 224.348 2.427 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@H]1CCO[C@H](CC)C1 ZINC000357000964 535272876 /nfs/dbraw/zinc/27/28/76/535272876.db2.gz XEXBOCVATDHBCH-QWHCGFSZSA-N 1 2 224.348 2.427 20 30 BEEDLO CCC[N@H+](CC#N)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000246987512 535274489 /nfs/dbraw/zinc/27/44/89/535274489.db2.gz MHNLRWBIQIKDSP-VXGBXAGGSA-N 1 2 224.348 2.426 20 30 BEEDLO CCC[N@@H+](CC#N)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000246987512 535274494 /nfs/dbraw/zinc/27/44/94/535274494.db2.gz MHNLRWBIQIKDSP-VXGBXAGGSA-N 1 2 224.348 2.426 20 30 BEEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cn2ccsc2n1 ZINC000335184011 355082300 /nfs/dbraw/zinc/08/23/00/355082300.db2.gz GYZWSDQDSUDWNR-KOLCDFICSA-N 1 2 246.339 2.178 20 30 BEEDLO C=CCCOCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413211970 191363280 /nfs/dbraw/zinc/36/32/80/191363280.db2.gz QRLMVNIVVINCRL-UHFFFAOYSA-N 1 2 248.330 2.056 20 30 BEEDLO C=CCCOCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413211970 191363283 /nfs/dbraw/zinc/36/32/83/191363283.db2.gz QRLMVNIVVINCRL-UHFFFAOYSA-N 1 2 248.330 2.056 20 30 BEEDLO CC(C)(CC#N)CNc1cc[nH+]c2ccncc12 ZINC000413399422 191376324 /nfs/dbraw/zinc/37/63/24/191376324.db2.gz BKXPFGLSHQRUPM-UHFFFAOYSA-N 1 2 240.310 2.403 20 30 BEEDLO CCN(CCC#N)Cc1c[nH+]c2cccc(C)n12 ZINC000349839183 355490730 /nfs/dbraw/zinc/49/07/30/355490730.db2.gz LAGYZMWYMLHFPT-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO C[C@@H]1c2cccn2CC[N@H+]1CC1(C#N)CC1 ZINC000335813447 355501244 /nfs/dbraw/zinc/50/12/44/355501244.db2.gz CVUQHLTTXDDHPS-LLVKDONJSA-N 1 2 215.300 2.168 20 30 BEEDLO C[C@@H]1c2cccn2CC[N@@H+]1CC1(C#N)CC1 ZINC000335813447 355501247 /nfs/dbraw/zinc/50/12/47/355501247.db2.gz CVUQHLTTXDDHPS-LLVKDONJSA-N 1 2 215.300 2.168 20 30 BEEDLO N#CCCC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000335873828 355641477 /nfs/dbraw/zinc/64/14/77/355641477.db2.gz JDYFFIZQCFNODU-UHFFFAOYSA-N 1 2 234.274 2.324 20 30 BEEDLO N#CCCC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000335873828 355641481 /nfs/dbraw/zinc/64/14/81/355641481.db2.gz JDYFFIZQCFNODU-UHFFFAOYSA-N 1 2 234.274 2.324 20 30 BEEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000583626252 355935016 /nfs/dbraw/zinc/93/50/16/355935016.db2.gz KAETZKUNPXLUDD-JTQLQIEISA-N 1 2 244.298 2.085 20 30 BEEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000583626253 355935341 /nfs/dbraw/zinc/93/53/41/355935341.db2.gz KAETZKUNPXLUDD-SNVBAGLBSA-N 1 2 244.298 2.085 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192070715 355952346 /nfs/dbraw/zinc/95/23/46/355952346.db2.gz XFACAJLIPULXHF-JTQLQIEISA-N 1 2 231.274 2.431 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192070715 355952347 /nfs/dbraw/zinc/95/23/47/355952347.db2.gz XFACAJLIPULXHF-JTQLQIEISA-N 1 2 231.274 2.431 20 30 BEEDLO CC(C)[C@@H](O)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000336136840 134096504 /nfs/dbraw/zinc/09/65/04/134096504.db2.gz SPCMRDVMQJSFEW-NWDGAFQWSA-N 1 2 224.348 2.017 20 30 BEEDLO CC(C)[C@@H](O)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000336136840 134096505 /nfs/dbraw/zinc/09/65/05/134096505.db2.gz SPCMRDVMQJSFEW-NWDGAFQWSA-N 1 2 224.348 2.017 20 30 BEEDLO C=CC[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000617779622 356351966 /nfs/dbraw/zinc/35/19/66/356351966.db2.gz FEWOWTKOLHZMJJ-LBPRGKRZSA-N 1 2 247.342 2.157 20 30 BEEDLO C=CC[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000617779622 356351967 /nfs/dbraw/zinc/35/19/67/356351967.db2.gz FEWOWTKOLHZMJJ-LBPRGKRZSA-N 1 2 247.342 2.157 20 30 BEEDLO C=CC[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000617779621 356351996 /nfs/dbraw/zinc/35/19/96/356351996.db2.gz FEWOWTKOLHZMJJ-GFCCVEGCSA-N 1 2 247.342 2.157 20 30 BEEDLO C=CC[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000617779621 356352000 /nfs/dbraw/zinc/35/20/00/356352000.db2.gz FEWOWTKOLHZMJJ-GFCCVEGCSA-N 1 2 247.342 2.157 20 30 BEEDLO C=CC[N@@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623289095 356497278 /nfs/dbraw/zinc/49/72/78/356497278.db2.gz MFQSVXVWTUTANT-JTQLQIEISA-N 1 2 216.284 2.015 20 30 BEEDLO C=CC[N@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623289095 356497281 /nfs/dbraw/zinc/49/72/81/356497281.db2.gz MFQSVXVWTUTANT-JTQLQIEISA-N 1 2 216.284 2.015 20 30 BEEDLO N#Cc1cc(C[N@@H+]2CC[C@@]23CCOC3)ccc1F ZINC000421011277 192299790 /nfs/dbraw/zinc/29/97/90/192299790.db2.gz DHYNUXLJCOVHHD-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1cc(C[N@H+]2CC[C@@]23CCOC3)ccc1F ZINC000421011277 192299793 /nfs/dbraw/zinc/29/97/93/192299793.db2.gz DHYNUXLJCOVHHD-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421009563 192300319 /nfs/dbraw/zinc/30/03/19/192300319.db2.gz BSCXKNLBULNWGQ-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421009563 192300321 /nfs/dbraw/zinc/30/03/21/192300321.db2.gz BSCXKNLBULNWGQ-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1cc(C[N@@H+]2CC[C@]23CCOC3)ccc1F ZINC000421011282 192300704 /nfs/dbraw/zinc/30/07/04/192300704.db2.gz DHYNUXLJCOVHHD-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1cc(C[N@H+]2CC[C@]23CCOC3)ccc1F ZINC000421011282 192300705 /nfs/dbraw/zinc/30/07/05/192300705.db2.gz DHYNUXLJCOVHHD-CQSZACIVSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@]23CCOC3)c(F)c1 ZINC000421029220 192309762 /nfs/dbraw/zinc/30/97/62/192309762.db2.gz IMKMFROEIGLCIL-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CC[C@@]23CCOC3)c(F)c1 ZINC000421029220 192309765 /nfs/dbraw/zinc/30/97/65/192309765.db2.gz IMKMFROEIGLCIL-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO C=CCCC[N@@H+](C)[C@@H](C)c1csnn1 ZINC000450427737 202155817 /nfs/dbraw/zinc/15/58/17/202155817.db2.gz ZOUMVJHHBQBFGO-VIFPVBQESA-N 1 2 211.334 2.497 20 30 BEEDLO C=CCCC[N@H+](C)[C@@H](C)c1csnn1 ZINC000450427737 202155820 /nfs/dbraw/zinc/15/58/20/202155820.db2.gz ZOUMVJHHBQBFGO-VIFPVBQESA-N 1 2 211.334 2.497 20 30 BEEDLO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)no1 ZINC000026326433 357140800 /nfs/dbraw/zinc/14/08/00/357140800.db2.gz CGAQVCDGKUFOME-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)no1 ZINC000026326433 357140804 /nfs/dbraw/zinc/14/08/04/357140804.db2.gz CGAQVCDGKUFOME-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000355776713 538803963 /nfs/dbraw/zinc/80/39/63/538803963.db2.gz JRXOPVQXKDPQCR-LLVKDONJSA-N 1 2 235.331 2.203 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000355776713 538803970 /nfs/dbraw/zinc/80/39/70/538803970.db2.gz JRXOPVQXKDPQCR-LLVKDONJSA-N 1 2 235.331 2.203 20 30 BEEDLO CC#CCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631183771 357246202 /nfs/dbraw/zinc/24/62/02/357246202.db2.gz CBVWUYMMSPYKEX-UHFFFAOYSA-N 1 2 226.283 2.222 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(C)nc1C ZINC000359888694 134197797 /nfs/dbraw/zinc/19/77/97/134197797.db2.gz VHAKGGMTEOCUPW-UHFFFAOYSA-N 1 2 217.316 2.434 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(C)nc1C ZINC000359888694 134197798 /nfs/dbraw/zinc/19/77/98/134197798.db2.gz VHAKGGMTEOCUPW-UHFFFAOYSA-N 1 2 217.316 2.434 20 30 BEEDLO CCC[N@H+](CC#N)C[C@@H](O)CC1CCCC1 ZINC000188632252 357569542 /nfs/dbraw/zinc/56/95/42/357569542.db2.gz OUBDPBWUKCEARZ-ZDUSSCGKSA-N 1 2 224.348 2.163 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@@H](O)CC1CCCC1 ZINC000188632252 357569545 /nfs/dbraw/zinc/56/95/45/357569545.db2.gz OUBDPBWUKCEARZ-ZDUSSCGKSA-N 1 2 224.348 2.163 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)CC#Cc1ccccc1 ZINC000063095336 357524484 /nfs/dbraw/zinc/52/44/84/357524484.db2.gz QRGAGWIFMREVHY-CYBMUJFWSA-N 1 2 212.296 2.272 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)CC#Cc1ccccc1 ZINC000063095336 357524488 /nfs/dbraw/zinc/52/44/88/357524488.db2.gz QRGAGWIFMREVHY-CYBMUJFWSA-N 1 2 212.296 2.272 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2cncc(F)c2)CC1 ZINC000230955287 357585913 /nfs/dbraw/zinc/58/59/13/357585913.db2.gz LGYRPFUJDJAQGI-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO CCCN(CC#N)CCc1cc[nH+]cc1C ZINC000397645853 357618637 /nfs/dbraw/zinc/61/86/37/357618637.db2.gz UTPCKWPFMBKWSA-UHFFFAOYSA-N 1 2 217.316 2.168 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1cc(C#N)ccc1F ZINC000191105246 357750805 /nfs/dbraw/zinc/75/08/05/357750805.db2.gz UWFGTRNWQLOGFF-UHFFFAOYSA-N 1 2 248.301 2.332 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1cc(C#N)ccc1F ZINC000191105246 357750810 /nfs/dbraw/zinc/75/08/10/357750810.db2.gz UWFGTRNWQLOGFF-UHFFFAOYSA-N 1 2 248.301 2.332 20 30 BEEDLO N#CCCCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000375789541 134240586 /nfs/dbraw/zinc/24/05/86/134240586.db2.gz IABSJWBVOWJDKV-GFCCVEGCSA-N 1 2 234.299 2.347 20 30 BEEDLO N#CCCCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000375789541 134240587 /nfs/dbraw/zinc/24/05/87/134240587.db2.gz IABSJWBVOWJDKV-GFCCVEGCSA-N 1 2 234.299 2.347 20 30 BEEDLO C=C(Br)C[N@@H+]1CCCO[C@H](C)C1 ZINC000171240038 134255928 /nfs/dbraw/zinc/25/59/28/134255928.db2.gz RIRRJAKUZMRCAZ-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO C=C(Br)C[N@H+]1CCCO[C@H](C)C1 ZINC000171240038 134255929 /nfs/dbraw/zinc/25/59/29/134255929.db2.gz RIRRJAKUZMRCAZ-SECBINFHSA-N 1 2 234.137 2.006 20 30 BEEDLO C=CCOc1ccccc1-n1cc[nH+]c1 ZINC000039239581 358224492 /nfs/dbraw/zinc/22/44/92/358224492.db2.gz QXFYCSJOHZVODK-UHFFFAOYSA-N 1 2 200.241 2.437 20 30 BEEDLO N#CC1(C[NH2+][C@H](CO)c2cccc(F)c2)CCC1 ZINC000450706889 202239902 /nfs/dbraw/zinc/23/99/02/202239902.db2.gz GTXIHFMTOJTAPX-CYBMUJFWSA-N 1 2 248.301 2.143 20 30 BEEDLO C=C(C)CCNc1cc[nH+]c(C2CC2)n1 ZINC000450717543 202244085 /nfs/dbraw/zinc/24/40/85/202244085.db2.gz PZHZMZHHQJAKAW-UHFFFAOYSA-N 1 2 203.289 2.154 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000042324828 358521395 /nfs/dbraw/zinc/52/13/95/358521395.db2.gz HWZOEKWSQXHSBI-SNVBAGLBSA-N 1 2 233.271 2.186 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000042324828 358521396 /nfs/dbraw/zinc/52/13/96/358521396.db2.gz HWZOEKWSQXHSBI-SNVBAGLBSA-N 1 2 233.271 2.186 20 30 BEEDLO CC#CC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640153121 358431419 /nfs/dbraw/zinc/43/14/19/358431419.db2.gz LDXCIAINLXMBMJ-LBPRGKRZSA-N 1 2 209.239 2.449 20 30 BEEDLO COCC#CC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640155089 358438213 /nfs/dbraw/zinc/43/82/13/358438213.db2.gz QKMRXYBAYRPWAQ-ZDUSSCGKSA-N 1 2 239.265 2.076 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126205344 358547217 /nfs/dbraw/zinc/54/72/17/358547217.db2.gz MRAIGXCGDJMXLJ-HNNXBMFYSA-N 1 2 229.323 2.392 20 30 BEEDLO CC#CC[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126205344 358547220 /nfs/dbraw/zinc/54/72/20/358547220.db2.gz MRAIGXCGDJMXLJ-HNNXBMFYSA-N 1 2 229.323 2.392 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000044389213 358548878 /nfs/dbraw/zinc/54/88/78/358548878.db2.gz DIWQZABFGCULPI-LLVKDONJSA-N 1 2 213.284 2.150 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000044389213 358548884 /nfs/dbraw/zinc/54/88/84/358548884.db2.gz DIWQZABFGCULPI-LLVKDONJSA-N 1 2 213.284 2.150 20 30 BEEDLO Cc1nc(N2CCC(C#N)CC2)c(C)c(C)[nH+]1 ZINC000177822046 134300272 /nfs/dbraw/zinc/30/02/72/134300272.db2.gz PJLHALHJSGQTMW-UHFFFAOYSA-N 1 2 230.315 2.142 20 30 BEEDLO C=C1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068425083 359027536 /nfs/dbraw/zinc/02/75/36/359027536.db2.gz MZFBPKQEGOKNMQ-UHFFFAOYSA-N 1 2 241.294 2.127 20 30 BEEDLO CC#CC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000246599115 359149995 /nfs/dbraw/zinc/14/99/95/359149995.db2.gz GCZJRWMZCIWKFN-DZGCQCFKSA-N 1 2 229.323 2.472 20 30 BEEDLO CC#CC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000246599115 359149998 /nfs/dbraw/zinc/14/99/98/359149998.db2.gz GCZJRWMZCIWKFN-DZGCQCFKSA-N 1 2 229.323 2.472 20 30 BEEDLO C=C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C(=O)OC ZINC000619701949 363632041 /nfs/dbraw/zinc/63/20/41/363632041.db2.gz ATHUSHCDLBDTKS-DYEKYZERSA-N 1 2 247.338 2.496 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1[nH]nc2ccccc21 ZINC000611268609 359284269 /nfs/dbraw/zinc/28/42/69/359284269.db2.gz RKFMKKNVUVWQHT-SNVBAGLBSA-N 1 2 228.299 2.297 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC000611268609 359284275 /nfs/dbraw/zinc/28/42/75/359284275.db2.gz RKFMKKNVUVWQHT-SNVBAGLBSA-N 1 2 228.299 2.297 20 30 BEEDLO N#CC1(C[NH+]2CC3(C2)CC(F)(F)C3)CC1 ZINC000611432808 359365322 /nfs/dbraw/zinc/36/53/22/359365322.db2.gz REPKFSMRBAONMP-UHFFFAOYSA-N 1 2 212.243 2.021 20 30 BEEDLO C=CCC(C)(C)CNc1[nH+]cnc2c1cnn2C ZINC000292916665 359332715 /nfs/dbraw/zinc/33/27/15/359332715.db2.gz CTCRLGGAGLHHMW-UHFFFAOYSA-N 1 2 245.330 2.378 20 30 BEEDLO C[N@H+](Cc1cn[nH]c1)Cc1cccc(C#N)c1F ZINC000611372998 359351657 /nfs/dbraw/zinc/35/16/57/359351657.db2.gz OEAXCCJVRRMHKX-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C[N@@H+](Cc1cn[nH]c1)Cc1cccc(C#N)c1F ZINC000611372998 359351661 /nfs/dbraw/zinc/35/16/61/359351661.db2.gz OEAXCCJVRRMHKX-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C#CC[N@@H+](Cc1nc2ccccc2n1C)C1CC1 ZINC000274169511 359511929 /nfs/dbraw/zinc/51/19/29/359511929.db2.gz NIYFYRCFSCVLEV-UHFFFAOYSA-N 1 2 239.322 2.171 20 30 BEEDLO C#CC[N@H+](Cc1nc2ccccc2n1C)C1CC1 ZINC000274169511 359511931 /nfs/dbraw/zinc/51/19/31/359511931.db2.gz NIYFYRCFSCVLEV-UHFFFAOYSA-N 1 2 239.322 2.171 20 30 BEEDLO C=CC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000628493702 359669616 /nfs/dbraw/zinc/66/96/16/359669616.db2.gz VQESBJOPPVGZCE-NEPJUHHUSA-N 1 2 247.342 2.013 20 30 BEEDLO C=CC[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000628493702 359669619 /nfs/dbraw/zinc/66/96/19/359669619.db2.gz VQESBJOPPVGZCE-NEPJUHHUSA-N 1 2 247.342 2.013 20 30 BEEDLO C=C(CC)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000450916497 202308020 /nfs/dbraw/zinc/30/80/20/202308020.db2.gz VRQOPKABIUQHOW-UHFFFAOYSA-N 1 2 232.331 2.455 20 30 BEEDLO C=C(CC)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000450916497 202308024 /nfs/dbraw/zinc/30/80/24/202308024.db2.gz VRQOPKABIUQHOW-UHFFFAOYSA-N 1 2 232.331 2.455 20 30 BEEDLO CCc1cc(N)nc(SCC2(C#N)CCC2)[nH+]1 ZINC000450936351 202313974 /nfs/dbraw/zinc/31/39/74/202313974.db2.gz VISSBZZFLRVQIH-UHFFFAOYSA-N 1 2 248.355 2.238 20 30 BEEDLO Cc1ccc(O)c(C[N@@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000612406536 359833208 /nfs/dbraw/zinc/83/32/08/359833208.db2.gz PCMROPATSWQEEJ-CQSZACIVSA-N 1 2 245.326 2.221 20 30 BEEDLO Cc1ccc(O)c(C[N@H+]2CCC[C@](C)(C#N)C2)n1 ZINC000612406536 359833212 /nfs/dbraw/zinc/83/32/12/359833212.db2.gz PCMROPATSWQEEJ-CQSZACIVSA-N 1 2 245.326 2.221 20 30 BEEDLO C[C@]1(C#N)CCC[N@H+](Cc2cncs2)C1 ZINC000612406553 359833452 /nfs/dbraw/zinc/83/34/52/359833452.db2.gz PRCFUIFSQWLUCN-LLVKDONJSA-N 1 2 221.329 2.269 20 30 BEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cncs2)C1 ZINC000612406553 359833457 /nfs/dbraw/zinc/83/34/57/359833457.db2.gz PRCFUIFSQWLUCN-LLVKDONJSA-N 1 2 221.329 2.269 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@@H](C)c1ccc(C)cc1)C(=O)OC ZINC000619702717 363679663 /nfs/dbraw/zinc/67/96/63/363679663.db2.gz QDNIHLCBKQITFE-TZMCWYRMSA-N 1 2 247.338 2.416 20 30 BEEDLO N#Cc1ccc(F)c(C[NH+]2CCC(C#N)CC2)c1 ZINC000057879736 359987665 /nfs/dbraw/zinc/98/76/65/359987665.db2.gz QMABNIVHDAQQBS-UHFFFAOYSA-N 1 2 243.285 2.433 20 30 BEEDLO CC[N@@H+](Cc1ccc(COC)o1)C[C@@H](C)C#N ZINC000091982406 360141502 /nfs/dbraw/zinc/14/15/02/360141502.db2.gz BDTWYIIFIRVJLB-NSHDSACASA-N 1 2 236.315 2.408 20 30 BEEDLO CC[N@H+](Cc1ccc(COC)o1)C[C@@H](C)C#N ZINC000091982406 360141505 /nfs/dbraw/zinc/14/15/05/360141505.db2.gz BDTWYIIFIRVJLB-NSHDSACASA-N 1 2 236.315 2.408 20 30 BEEDLO Cc1occc1C[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001641642310 1172277331 /nfs/dbraw/zinc/27/73/31/1172277331.db2.gz XSWFKEMTCQNRGA-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1occc1C[N@H+](C)Cc1cc(C#N)ccn1 ZINC001641642310 1172277340 /nfs/dbraw/zinc/27/73/40/1172277340.db2.gz XSWFKEMTCQNRGA-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO COc1cccc(C[N@H+](C)[C@H](C)CC#N)c1OC ZINC000097078784 360360321 /nfs/dbraw/zinc/36/03/21/360360321.db2.gz YVQPXPXHSSRRDL-LLVKDONJSA-N 1 2 248.326 2.438 20 30 BEEDLO COc1cccc(C[N@@H+](C)[C@H](C)CC#N)c1OC ZINC000097078784 360360328 /nfs/dbraw/zinc/36/03/28/360360328.db2.gz YVQPXPXHSSRRDL-LLVKDONJSA-N 1 2 248.326 2.438 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cc2cccnc2o1 ZINC000579194758 366731610 /nfs/dbraw/zinc/73/16/10/366731610.db2.gz RLXWRBBUTCBPMT-VIFPVBQESA-N 1 2 215.256 2.077 20 30 BEEDLO CC#CCC[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428939165 201049199 /nfs/dbraw/zinc/04/91/99/201049199.db2.gz LUZGTPMLSVXBKD-JTQLQIEISA-N 1 2 249.276 2.442 20 30 BEEDLO CC#CCC[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428939165 201049203 /nfs/dbraw/zinc/04/92/03/201049203.db2.gz LUZGTPMLSVXBKD-JTQLQIEISA-N 1 2 249.276 2.442 20 30 BEEDLO COc1cc(C[N@H+](C)CC(C)(C)C#N)ccn1 ZINC000433314326 201179350 /nfs/dbraw/zinc/17/93/50/201179350.db2.gz YZDCGYDTPFDGRI-UHFFFAOYSA-N 1 2 233.315 2.072 20 30 BEEDLO COc1cc(C[N@@H+](C)CC(C)(C)C#N)ccn1 ZINC000433314326 201179352 /nfs/dbraw/zinc/17/93/52/201179352.db2.gz YZDCGYDTPFDGRI-UHFFFAOYSA-N 1 2 233.315 2.072 20 30 BEEDLO COc1cncc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000433314743 201177897 /nfs/dbraw/zinc/17/78/97/201177897.db2.gz WASIBJNBGOYUPC-UHFFFAOYSA-N 1 2 233.315 2.072 20 30 BEEDLO COc1cncc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433314743 201177900 /nfs/dbraw/zinc/17/79/00/201177900.db2.gz WASIBJNBGOYUPC-UHFFFAOYSA-N 1 2 233.315 2.072 20 30 BEEDLO C=CCCN(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000433792758 201194877 /nfs/dbraw/zinc/19/48/77/201194877.db2.gz JNUAWBNJPIFNIS-UHFFFAOYSA-N 1 2 232.331 2.089 20 30 BEEDLO C=CCCN(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000433792758 201194881 /nfs/dbraw/zinc/19/48/81/201194881.db2.gz JNUAWBNJPIFNIS-UHFFFAOYSA-N 1 2 232.331 2.089 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000434984372 201248784 /nfs/dbraw/zinc/24/87/84/201248784.db2.gz WZRQWASOGNKNFB-SNVBAGLBSA-N 1 2 244.298 2.452 20 30 BEEDLO C=C(C)c1ccc(NCCCCOC)[nH+]c1 ZINC000629729735 361668142 /nfs/dbraw/zinc/66/81/42/361668142.db2.gz BFKGLPFWWXJYNQ-UHFFFAOYSA-N 1 2 220.316 2.375 20 30 BEEDLO C=C(C)c1ccc(NCCCOCC)[nH+]c1 ZINC000629729975 361669138 /nfs/dbraw/zinc/66/91/38/361669138.db2.gz LWQGBDKQGWMETD-UHFFFAOYSA-N 1 2 220.316 2.375 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cc[nH]n1 ZINC000614400857 363804987 /nfs/dbraw/zinc/80/49/87/363804987.db2.gz KBOHIRDAEVQJIL-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000614400857 363804991 /nfs/dbraw/zinc/80/49/91/363804991.db2.gz KBOHIRDAEVQJIL-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000619718680 363917549 /nfs/dbraw/zinc/91/75/49/363917549.db2.gz UVJMPFHEKFNNBT-BNOWGMLFSA-N 1 2 245.322 2.407 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000619718680 363917555 /nfs/dbraw/zinc/91/75/55/363917555.db2.gz UVJMPFHEKFNNBT-BNOWGMLFSA-N 1 2 245.322 2.407 20 30 BEEDLO CC#CC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000135264348 364433541 /nfs/dbraw/zinc/43/35/41/364433541.db2.gz AOVLRPFBSMTPRA-VIFPVBQESA-N 1 2 221.304 2.041 20 30 BEEDLO C[C@@H](C#N)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000573604799 364872922 /nfs/dbraw/zinc/87/29/22/364872922.db2.gz IBWSMSCJFWYUKO-VIFPVBQESA-N 1 2 240.266 2.175 20 30 BEEDLO COc1cccc(C[NH2+]CC2(C#N)CC2)c1OC ZINC000574137500 364993635 /nfs/dbraw/zinc/99/36/35/364993635.db2.gz BREIEKJFMTUVEW-UHFFFAOYSA-N 1 2 246.310 2.097 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000183822330 367050402 /nfs/dbraw/zinc/05/04/02/367050402.db2.gz UAAWINZTWRIUIR-LLVKDONJSA-N 1 2 240.310 2.326 20 30 BEEDLO C=C(C)C(C)(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000579972147 367109399 /nfs/dbraw/zinc/10/93/99/367109399.db2.gz OOBFYODOQQQXQV-SECBINFHSA-N 1 2 221.304 2.189 20 30 BEEDLO Cc1[nH+]ccc(NCC2(C#N)CC2)c1Cl ZINC000380356052 367190211 /nfs/dbraw/zinc/19/02/11/367190211.db2.gz WVCRIFKWTXUBTC-UHFFFAOYSA-N 1 2 221.691 2.181 20 30 BEEDLO C[N@H+](Cc1ccoc1)Cc1ccnc(C#N)c1 ZINC000068766000 370844546 /nfs/dbraw/zinc/84/45/46/370844546.db2.gz UJIHTWRZPJOLOL-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C[N@@H+](Cc1ccoc1)Cc1ccnc(C#N)c1 ZINC000068766000 370844548 /nfs/dbraw/zinc/84/45/48/370844548.db2.gz UJIHTWRZPJOLOL-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO CC[C@@H]([NH2+]CCC#N)c1c(C)noc1C ZINC000581066591 367251050 /nfs/dbraw/zinc/25/10/50/367251050.db2.gz DXLNLLKDCIZCFV-SNVBAGLBSA-N 1 2 207.277 2.246 20 30 BEEDLO Cc1ccnc([C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000381348635 367385639 /nfs/dbraw/zinc/38/56/39/367385639.db2.gz ZTUJPXUMPWQGEQ-LLVKDONJSA-N 1 2 215.300 2.344 20 30 BEEDLO C=CC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000382504507 367531250 /nfs/dbraw/zinc/53/12/50/367531250.db2.gz UNAAHERNTBRKTR-JTQLQIEISA-N 1 2 225.332 2.367 20 30 BEEDLO C=CC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000382504507 367531254 /nfs/dbraw/zinc/53/12/54/367531254.db2.gz UNAAHERNTBRKTR-JTQLQIEISA-N 1 2 225.332 2.367 20 30 BEEDLO C=CCCCN(C)c1nc(C)[nH+]cc1C ZINC000581834976 367838876 /nfs/dbraw/zinc/83/88/76/367838876.db2.gz IBDAKYDBJYSHST-UHFFFAOYSA-N 1 2 205.305 2.496 20 30 BEEDLO C=C(Cl)C[N@@H+](CCOC)Cc1ccco1 ZINC000046062374 368436603 /nfs/dbraw/zinc/43/66/03/368436603.db2.gz APYUKTRBSBBKCE-UHFFFAOYSA-N 1 2 229.707 2.481 20 30 BEEDLO C=C(Cl)C[N@H+](CCOC)Cc1ccco1 ZINC000046062374 368436605 /nfs/dbraw/zinc/43/66/05/368436605.db2.gz APYUKTRBSBBKCE-UHFFFAOYSA-N 1 2 229.707 2.481 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)CCOc1cccc(F)c1 ZINC000064798485 368614605 /nfs/dbraw/zinc/61/46/05/368614605.db2.gz PUQFOFQFYRJUHX-NSHDSACASA-N 1 2 236.290 2.296 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1cccc(F)c1 ZINC000064798485 368614612 /nfs/dbraw/zinc/61/46/12/368614612.db2.gz PUQFOFQFYRJUHX-NSHDSACASA-N 1 2 236.290 2.296 20 30 BEEDLO C[N@H+](CCC(F)(F)F)C[C@@H](C#N)CCC#N ZINC000066484186 368649801 /nfs/dbraw/zinc/64/98/01/368649801.db2.gz SAFFYOXWVXDMQM-SECBINFHSA-N 1 2 233.237 2.314 20 30 BEEDLO C[N@@H+](CCC(F)(F)F)C[C@@H](C#N)CCC#N ZINC000066484186 368649803 /nfs/dbraw/zinc/64/98/03/368649803.db2.gz SAFFYOXWVXDMQM-SECBINFHSA-N 1 2 233.237 2.314 20 30 BEEDLO C[N@H+](CC#N)C1CCN(c2cccc(F)c2)CC1 ZINC000072826188 368781194 /nfs/dbraw/zinc/78/11/94/368781194.db2.gz QRFAONIJMOCKOK-UHFFFAOYSA-N 1 2 247.317 2.250 20 30 BEEDLO C[N@@H+](CC#N)C1CCN(c2cccc(F)c2)CC1 ZINC000072826188 368781195 /nfs/dbraw/zinc/78/11/95/368781195.db2.gz QRFAONIJMOCKOK-UHFFFAOYSA-N 1 2 247.317 2.250 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1cccnc1 ZINC001642538719 1172372393 /nfs/dbraw/zinc/37/23/93/1172372393.db2.gz HWEBYKKAUOCZHJ-LLVKDONJSA-N 1 2 238.294 2.199 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cn2ccccc2n1 ZINC000088627216 368920744 /nfs/dbraw/zinc/92/07/44/368920744.db2.gz HVBGYGVVDXKXAL-NSHDSACASA-N 1 2 228.299 2.116 20 30 BEEDLO Cc1cc(COCc2[nH]cc[nH+]2)ccc1C#N ZINC000618649340 369191978 /nfs/dbraw/zinc/19/19/78/369191978.db2.gz RXXIUFMVBSIFAW-UHFFFAOYSA-N 1 2 227.267 2.307 20 30 BEEDLO N#CCSCCC[N@@H+]1Cc2cccnc2C1 ZINC000567725031 326252038 /nfs/dbraw/zinc/25/20/38/326252038.db2.gz NETGROXZWCMJJH-UHFFFAOYSA-N 1 2 233.340 2.044 20 30 BEEDLO N#CCSCCC[N@H+]1Cc2cccnc2C1 ZINC000567725031 326252039 /nfs/dbraw/zinc/25/20/39/326252039.db2.gz NETGROXZWCMJJH-UHFFFAOYSA-N 1 2 233.340 2.044 20 30 BEEDLO C=CCOc1cccc(C[NH+]2CC(OC)C2)c1 ZINC000459574923 203305506 /nfs/dbraw/zinc/30/55/06/203305506.db2.gz DKTJBFCHFOVTMZ-UHFFFAOYSA-N 1 2 233.311 2.082 20 30 BEEDLO N#Cc1cccc2c1C[N@H+](C[C@@H]1CCCCO1)C2 ZINC000405072678 369444756 /nfs/dbraw/zinc/44/47/56/369444756.db2.gz JBDLOYHUNYWSAM-AWEZNQCLSA-N 1 2 242.322 2.443 20 30 BEEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000405072678 369444762 /nfs/dbraw/zinc/44/47/62/369444762.db2.gz JBDLOYHUNYWSAM-AWEZNQCLSA-N 1 2 242.322 2.443 20 30 BEEDLO CCOC1(C)C[NH+](Cc2cc(C#N)cs2)C1 ZINC000459622187 203320202 /nfs/dbraw/zinc/32/02/02/203320202.db2.gz NSGMHCVHMSHKIC-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404106063 369420268 /nfs/dbraw/zinc/42/02/68/369420268.db2.gz GQMABSQSXUYYBB-VIFPVBQESA-N 1 2 217.247 2.089 20 30 BEEDLO Cc1c[nH]c(C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000600110028 369507948 /nfs/dbraw/zinc/50/79/48/369507948.db2.gz VXWPCFHJTUKIGK-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1c[nH]c(C[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC000600110028 369507952 /nfs/dbraw/zinc/50/79/52/369507952.db2.gz VXWPCFHJTUKIGK-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)OC ZINC000619704282 369536896 /nfs/dbraw/zinc/53/68/96/369536896.db2.gz APYFBSPAPYALMF-NDBYEHHHSA-N 1 2 239.359 2.376 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)OC ZINC000619704610 369536906 /nfs/dbraw/zinc/53/69/06/369536906.db2.gz VEZHGPOHEBASCK-ZJUUUORDSA-N 1 2 247.285 2.129 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCCc1ccccc1 ZINC000619716212 369545944 /nfs/dbraw/zinc/54/59/44/369545944.db2.gz AWUNHDPZIQDBNN-CQSZACIVSA-N 1 2 247.338 2.279 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCCc1ccccc1 ZINC000619716212 369545946 /nfs/dbraw/zinc/54/59/46/369545946.db2.gz AWUNHDPZIQDBNN-CQSZACIVSA-N 1 2 247.338 2.279 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000619722066 369552427 /nfs/dbraw/zinc/55/24/27/369552427.db2.gz XATSJKIXDMXMBO-CQSZACIVSA-N 1 2 245.322 2.081 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1CCc2cc(C)ccc2C1 ZINC000619722066 369552432 /nfs/dbraw/zinc/55/24/32/369552432.db2.gz XATSJKIXDMXMBO-CQSZACIVSA-N 1 2 245.322 2.081 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nnc(C)n1C1CC1 ZINC000157573202 326284204 /nfs/dbraw/zinc/28/42/04/326284204.db2.gz FZIQHPRWQWQMEJ-UHFFFAOYSA-N 1 2 234.347 2.319 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nnc(C)n1C1CC1 ZINC000157573202 326284206 /nfs/dbraw/zinc/28/42/06/326284206.db2.gz FZIQHPRWQWQMEJ-UHFFFAOYSA-N 1 2 234.347 2.319 20 30 BEEDLO Cc1cnc(C[NH2+]Cc2cccc(C#N)n2)s1 ZINC000602545564 369810163 /nfs/dbraw/zinc/81/01/63/369810163.db2.gz FVJYANBBWXWWSB-UHFFFAOYSA-N 1 2 244.323 2.008 20 30 BEEDLO Cc1ccoc1C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602674562 369836978 /nfs/dbraw/zinc/83/69/78/369836978.db2.gz VZMNQBCQYJTMPS-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO Cc1ccoc1C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602674562 369836982 /nfs/dbraw/zinc/83/69/82/369836982.db2.gz VZMNQBCQYJTMPS-UHFFFAOYSA-N 1 2 241.294 2.487 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620604608 369953451 /nfs/dbraw/zinc/95/34/51/369953451.db2.gz TZUAERARADZETJ-GHMZBOCLSA-N 1 2 235.331 2.200 20 30 BEEDLO C=CCC1(C(=O)N[C@H](C)c2[nH+]ccn2C)CCC1 ZINC000620605842 369954326 /nfs/dbraw/zinc/95/43/26/369954326.db2.gz KXMXNXXRHQFRTD-LLVKDONJSA-N 1 2 247.342 2.344 20 30 BEEDLO C=C[C@](C)(CC)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000620606099 369954429 /nfs/dbraw/zinc/95/44/29/369954429.db2.gz OCYSKWXIQDJTNI-ZWNOBZJWSA-N 1 2 235.331 2.200 20 30 BEEDLO CC(C)(Nc1ncc(C#N)cc1F)c1[nH]cc[nH+]1 ZINC000603406085 369954681 /nfs/dbraw/zinc/95/46/81/369954681.db2.gz FGJJSVKESMCUES-UHFFFAOYSA-N 1 2 245.261 2.163 20 30 BEEDLO CC1(C)COCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000130908214 370149698 /nfs/dbraw/zinc/14/96/98/370149698.db2.gz HPQALXSWKMZHSO-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO CC1(C)COCC[N@H+]1Cc1cc(C#N)cs1 ZINC000130908214 370149703 /nfs/dbraw/zinc/14/97/03/370149703.db2.gz HPQALXSWKMZHSO-UHFFFAOYSA-N 1 2 236.340 2.231 20 30 BEEDLO CC(F)(F)C[NH2+]Cc1cccc(C#N)c1 ZINC000378750122 371018913 /nfs/dbraw/zinc/01/89/13/371018913.db2.gz OBLSVDXVNLUEHD-UHFFFAOYSA-N 1 2 210.227 2.303 20 30 BEEDLO Cc1ccc(C#N)c(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000139909601 372275158 /nfs/dbraw/zinc/27/51/58/372275158.db2.gz BAIDJVANVSRDNN-SECBINFHSA-N 1 2 227.271 2.158 20 30 BEEDLO C=CCCC(C)(C)CNC(=O)CCn1cc[nH+]c1 ZINC000633964346 373862200 /nfs/dbraw/zinc/86/22/00/373862200.db2.gz LWOSUAUWDGTTQS-UHFFFAOYSA-N 1 2 249.358 2.382 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nc([C@@H](C)OC)no1 ZINC000175063290 206007037 /nfs/dbraw/zinc/00/70/37/206007037.db2.gz IQKNOOWAOIOFRY-SNVBAGLBSA-N 1 2 239.319 2.175 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nc([C@@H](C)OC)no1 ZINC000175063290 206007041 /nfs/dbraw/zinc/00/70/41/206007041.db2.gz IQKNOOWAOIOFRY-SNVBAGLBSA-N 1 2 239.319 2.175 20 30 BEEDLO C=CC[N@@H+](CCC#N)C1CC(OC(C)C)C1 ZINC000459493260 206132166 /nfs/dbraw/zinc/13/21/66/206132166.db2.gz OYQCVCDDUNHUOE-UHFFFAOYSA-N 1 2 222.332 2.344 20 30 BEEDLO C=CC[N@H+](CCC#N)C1CC(OC(C)C)C1 ZINC000459493260 206132168 /nfs/dbraw/zinc/13/21/68/206132168.db2.gz OYQCVCDDUNHUOE-UHFFFAOYSA-N 1 2 222.332 2.344 20 30 BEEDLO CCC[N@H+](CC#N)CC1(OC)CCCC1 ZINC000361577090 169091468 /nfs/dbraw/zinc/09/14/68/169091468.db2.gz JMHSJULBFXVOJR-UHFFFAOYSA-N 1 2 210.321 2.181 20 30 BEEDLO CCC[N@@H+](CC#N)CC1(OC)CCCC1 ZINC000361577090 169091469 /nfs/dbraw/zinc/09/14/69/169091469.db2.gz JMHSJULBFXVOJR-UHFFFAOYSA-N 1 2 210.321 2.181 20 30 BEEDLO N#Cc1cc(Cl)cc(Cn2cc[nH+]c2)c1 ZINC001644813388 1172612256 /nfs/dbraw/zinc/61/22/56/1172612256.db2.gz JSEFNLHMSHTONY-UHFFFAOYSA-N 1 2 217.659 2.456 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)o1 ZINC000334861961 383970194 /nfs/dbraw/zinc/97/01/94/383970194.db2.gz HOTJNLZUVMIXRH-CQSZACIVSA-N 1 2 246.310 2.152 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)o1 ZINC000334861961 383970198 /nfs/dbraw/zinc/97/01/98/383970198.db2.gz HOTJNLZUVMIXRH-CQSZACIVSA-N 1 2 246.310 2.152 20 30 BEEDLO C=CCCCC[N@H+]1CCOCC(F)(F)C1 ZINC000560245501 384013132 /nfs/dbraw/zinc/01/31/32/384013132.db2.gz IUNHEZVBRGIOAB-UHFFFAOYSA-N 1 2 219.275 2.310 20 30 BEEDLO C=CCCCC[N@@H+]1CCOCC(F)(F)C1 ZINC000560245501 384013137 /nfs/dbraw/zinc/01/31/37/384013137.db2.gz IUNHEZVBRGIOAB-UHFFFAOYSA-N 1 2 219.275 2.310 20 30 BEEDLO C=CC[NH+](CC=C)CC(=O)OCCCC ZINC000049750617 384034173 /nfs/dbraw/zinc/03/41/73/384034173.db2.gz RKNMYMATLOVBLB-UHFFFAOYSA-N 1 2 211.305 2.004 20 30 BEEDLO C[N@H+](Cc1cnns1)Cc1ccc(C#N)cc1 ZINC000289377479 384084340 /nfs/dbraw/zinc/08/43/40/384084340.db2.gz PSCMTDPPPLBECF-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C[N@@H+](Cc1cnns1)Cc1ccc(C#N)cc1 ZINC000289377479 384084348 /nfs/dbraw/zinc/08/43/48/384084348.db2.gz PSCMTDPPPLBECF-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C#CCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000363461384 384063475 /nfs/dbraw/zinc/06/34/75/384063475.db2.gz PNQODYLYXANQGH-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO C#CCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000363461384 384063482 /nfs/dbraw/zinc/06/34/82/384063482.db2.gz PNQODYLYXANQGH-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000560615784 384157994 /nfs/dbraw/zinc/15/79/94/384157994.db2.gz QNPRTRFWFOEPNM-NSHDSACASA-N 1 2 249.383 2.146 20 30 BEEDLO CC[C@H]1CN(C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000560615784 384157999 /nfs/dbraw/zinc/15/79/99/384157999.db2.gz QNPRTRFWFOEPNM-NSHDSACASA-N 1 2 249.383 2.146 20 30 BEEDLO C[N@H+](CCC#N)C[C@@H]1OCCc2ccccc21 ZINC000070937735 384141280 /nfs/dbraw/zinc/14/12/80/384141280.db2.gz OXQLLBUNYATFHT-AWEZNQCLSA-N 1 2 230.311 2.146 20 30 BEEDLO C[N@@H+](CCC#N)C[C@@H]1OCCc2ccccc21 ZINC000070937735 384141282 /nfs/dbraw/zinc/14/12/82/384141282.db2.gz OXQLLBUNYATFHT-AWEZNQCLSA-N 1 2 230.311 2.146 20 30 BEEDLO Cc1nc(C[NH+]2CCC(C#N)CC2)cs1 ZINC000080692514 384172975 /nfs/dbraw/zinc/17/29/75/384172975.db2.gz ISZVWHNCAQHJGK-UHFFFAOYSA-N 1 2 221.329 2.187 20 30 BEEDLO CC(C)OCC[N@H+](CC#N)C1CCCC1 ZINC000080215508 384163289 /nfs/dbraw/zinc/16/32/89/384163289.db2.gz DLRQQERQLAUFOZ-UHFFFAOYSA-N 1 2 210.321 2.180 20 30 BEEDLO CC(C)OCC[N@@H+](CC#N)C1CCCC1 ZINC000080215508 384163296 /nfs/dbraw/zinc/16/32/96/384163296.db2.gz DLRQQERQLAUFOZ-UHFFFAOYSA-N 1 2 210.321 2.180 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093091082 384210649 /nfs/dbraw/zinc/21/06/49/384210649.db2.gz DEZDHOBJWFHSTK-VIFPVBQESA-N 1 2 219.313 2.354 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093091082 384210652 /nfs/dbraw/zinc/21/06/52/384210652.db2.gz DEZDHOBJWFHSTK-VIFPVBQESA-N 1 2 219.313 2.354 20 30 BEEDLO C#C[C@H](CC)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000309714267 384214875 /nfs/dbraw/zinc/21/48/75/384214875.db2.gz SARSFLYDUNUZLN-SECBINFHSA-N 1 2 214.272 2.090 20 30 BEEDLO Cn1cc(C[N@H+](C)C(C)(C)C)cc1C#N ZINC000335449768 384290910 /nfs/dbraw/zinc/29/09/10/384290910.db2.gz PCUGYTJKZDDTHF-UHFFFAOYSA-N 1 2 205.305 2.127 20 30 BEEDLO Cn1cc(C[N@@H+](C)C(C)(C)C)cc1C#N ZINC000335449768 384290913 /nfs/dbraw/zinc/29/09/13/384290913.db2.gz PCUGYTJKZDDTHF-UHFFFAOYSA-N 1 2 205.305 2.127 20 30 BEEDLO Cc1cc(N(C)CC(C)C)c(C#N)c[nH+]1 ZINC000335513754 384294958 /nfs/dbraw/zinc/29/49/58/384294958.db2.gz UOZGOZTYXQZFNK-UHFFFAOYSA-N 1 2 203.289 2.354 20 30 BEEDLO Cc1cc(N2C[C@H](C)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000335513524 384302820 /nfs/dbraw/zinc/30/28/20/384302820.db2.gz SXHQBGGOVFTRQC-AOOOYVTPSA-N 1 2 215.300 2.354 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccccc1[N+](=O)[O-] ZINC000490700343 384343065 /nfs/dbraw/zinc/34/30/65/384343065.db2.gz SCVWFOJWTUWQPS-UHFFFAOYSA-N 1 2 242.278 2.053 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccccc1[N+](=O)[O-] ZINC000490700343 384343070 /nfs/dbraw/zinc/34/30/70/384343070.db2.gz SCVWFOJWTUWQPS-UHFFFAOYSA-N 1 2 242.278 2.053 20 30 BEEDLO Cc1nonc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000070261689 384511652 /nfs/dbraw/zinc/51/16/52/384511652.db2.gz NVFLVUDYSNLHGG-SECBINFHSA-N 1 2 242.282 2.101 20 30 BEEDLO C=CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000569608706 384535516 /nfs/dbraw/zinc/53/55/16/384535516.db2.gz GGAVCHQLRLSZPC-LBPRGKRZSA-N 1 2 247.342 2.259 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(OC)c(OC)c1 ZINC000049899931 384574381 /nfs/dbraw/zinc/57/43/81/384574381.db2.gz HFRBVYNWPCYDSW-UHFFFAOYSA-N 1 2 248.326 2.439 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(OC)c(OC)c1 ZINC000049899931 384574384 /nfs/dbraw/zinc/57/43/84/384574384.db2.gz HFRBVYNWPCYDSW-UHFFFAOYSA-N 1 2 248.326 2.439 20 30 BEEDLO C[C@H]([NH2+]CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000020200203 384595925 /nfs/dbraw/zinc/59/59/25/384595925.db2.gz JLGBDSZWFAHTMH-VIFPVBQESA-N 1 2 219.244 2.159 20 30 BEEDLO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2)no1 ZINC000044692297 384661842 /nfs/dbraw/zinc/66/18/42/384661842.db2.gz FCPRERQAVLWUBP-UHFFFAOYSA-N 1 2 227.267 2.145 20 30 BEEDLO C=C(CC)C[NH2+][C@H](CCC)C(=O)OCC ZINC000313499676 384681979 /nfs/dbraw/zinc/68/19/79/384681979.db2.gz IDDZYMLBYOFELV-LLVKDONJSA-N 1 2 213.321 2.274 20 30 BEEDLO CN(Cc1[nH+]ccn1C)c1ccc(F)cc1C#N ZINC000111036714 384809963 /nfs/dbraw/zinc/80/99/63/384809963.db2.gz KDBCDDLWSKLELH-UHFFFAOYSA-N 1 2 244.273 2.067 20 30 BEEDLO C=C[C@@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301830033 384927873 /nfs/dbraw/zinc/92/78/73/384927873.db2.gz PJTHJPQLRRADBO-SECBINFHSA-N 1 2 218.304 2.285 20 30 BEEDLO C=C[C@@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301830033 384927881 /nfs/dbraw/zinc/92/78/81/384927881.db2.gz PJTHJPQLRRADBO-SECBINFHSA-N 1 2 218.304 2.285 20 30 BEEDLO CCOCCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000127756224 384943002 /nfs/dbraw/zinc/94/30/02/384943002.db2.gz CYNZGPIWKNYNAC-UHFFFAOYSA-N 1 2 242.706 2.013 20 30 BEEDLO C=C[C@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301909799 384945485 /nfs/dbraw/zinc/94/54/85/384945485.db2.gz RYWMABBCPIBCCT-QMMMGPOBSA-N 1 2 214.272 2.198 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1nc2ccccc2n1C ZINC000107914220 385007703 /nfs/dbraw/zinc/00/77/03/385007703.db2.gz XOXHZIGAZHZHEQ-LLVKDONJSA-N 1 2 242.326 2.355 20 30 BEEDLO C[N@H+](Cc1ccc(C#N)s1)Cc1cnccn1 ZINC000179660236 385018060 /nfs/dbraw/zinc/01/80/60/385018060.db2.gz PNUYHOFKGKGVKA-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C[N@@H+](Cc1ccc(C#N)s1)Cc1cnccn1 ZINC000179660236 385018068 /nfs/dbraw/zinc/01/80/68/385018068.db2.gz PNUYHOFKGKGVKA-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C=CC[N@H+](CCc1ccccc1)[C@@H]1CCOC1=O ZINC000298094781 385113188 /nfs/dbraw/zinc/11/31/88/385113188.db2.gz KZONKJFCLMOENL-CQSZACIVSA-N 1 2 245.322 2.033 20 30 BEEDLO C=CC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1=O ZINC000298094781 385113198 /nfs/dbraw/zinc/11/31/98/385113198.db2.gz KZONKJFCLMOENL-CQSZACIVSA-N 1 2 245.322 2.033 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)CCC(=O)c1ccccc1 ZINC000165474646 385133104 /nfs/dbraw/zinc/13/31/04/385133104.db2.gz LDLLXOAMPSNQNX-LBPRGKRZSA-N 1 2 230.311 2.351 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)CCC(=O)c1ccccc1 ZINC000165474646 385133108 /nfs/dbraw/zinc/13/31/08/385133108.db2.gz LDLLXOAMPSNQNX-LBPRGKRZSA-N 1 2 230.311 2.351 20 30 BEEDLO C=C(C[NH2+]Cc1csnn1)c1ccccc1 ZINC000336691561 385099999 /nfs/dbraw/zinc/09/99/99/385099999.db2.gz WXQRMSVFJBHWKH-UHFFFAOYSA-N 1 2 231.324 2.341 20 30 BEEDLO CC#CCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000165934402 385206768 /nfs/dbraw/zinc/20/67/68/385206768.db2.gz IBRIAWYWYKGBMF-UHFFFAOYSA-N 1 2 236.702 2.195 20 30 BEEDLO CC(C)C1C[NH+](Cc2nc(C#N)cs2)C1 ZINC000589514284 385320932 /nfs/dbraw/zinc/32/09/32/385320932.db2.gz RUZBIXJMYCQHIC-UHFFFAOYSA-N 1 2 221.329 2.103 20 30 BEEDLO CC(C)([NH2+]CC1(C#N)CC1)c1nccs1 ZINC000309068091 385392728 /nfs/dbraw/zinc/39/27/28/385392728.db2.gz BEEJEUZDECAURF-UHFFFAOYSA-N 1 2 221.329 2.272 20 30 BEEDLO CO[C@@H](C)C[N@H+](CCC#N)Cc1ccco1 ZINC000182210222 385433843 /nfs/dbraw/zinc/43/38/43/385433843.db2.gz ZYAGOQQFEMBLNK-NSHDSACASA-N 1 2 222.288 2.030 20 30 BEEDLO CO[C@@H](C)C[N@@H+](CCC#N)Cc1ccco1 ZINC000182210222 385433848 /nfs/dbraw/zinc/43/38/48/385433848.db2.gz ZYAGOQQFEMBLNK-NSHDSACASA-N 1 2 222.288 2.030 20 30 BEEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC1(C#N)CCC1 ZINC000336197393 385472981 /nfs/dbraw/zinc/47/29/81/385472981.db2.gz BZLHYQOSJYKOTQ-NEPJUHHUSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC1(C#N)CCC1 ZINC000336197393 385472985 /nfs/dbraw/zinc/47/29/85/385472985.db2.gz BZLHYQOSJYKOTQ-NEPJUHHUSA-N 1 2 222.332 2.180 20 30 BEEDLO Cc1c[nH+]c(CNc2cccc(C#N)c2)n1C ZINC000341293193 385488221 /nfs/dbraw/zinc/48/82/21/385488221.db2.gz UZNAQVJGPPMJOK-UHFFFAOYSA-N 1 2 226.283 2.212 20 30 BEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000491373685 385483152 /nfs/dbraw/zinc/48/31/52/385483152.db2.gz NXGATAHUEPOADO-NSHDSACASA-N 1 2 248.301 2.026 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000491373685 385483158 /nfs/dbraw/zinc/48/31/58/385483158.db2.gz NXGATAHUEPOADO-NSHDSACASA-N 1 2 248.301 2.026 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000491373684 385483580 /nfs/dbraw/zinc/48/35/80/385483580.db2.gz NXGATAHUEPOADO-LLVKDONJSA-N 1 2 248.301 2.026 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000491373684 385483585 /nfs/dbraw/zinc/48/35/85/385483585.db2.gz NXGATAHUEPOADO-LLVKDONJSA-N 1 2 248.301 2.026 20 30 BEEDLO COCCCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000157198194 385489488 /nfs/dbraw/zinc/48/94/88/385489488.db2.gz LHEJGJRUUGXIOC-UHFFFAOYSA-N 1 2 242.706 2.013 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000491376255 385543207 /nfs/dbraw/zinc/54/32/07/385543207.db2.gz ZFJARJGJUPSGMW-SECBINFHSA-N 1 2 239.750 2.089 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000491376255 385543211 /nfs/dbraw/zinc/54/32/11/385543211.db2.gz ZFJARJGJUPSGMW-SECBINFHSA-N 1 2 239.750 2.089 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cc(F)ccc1F ZINC000054180573 385599684 /nfs/dbraw/zinc/59/96/84/385599684.db2.gz FLOPTGASTBUOAU-QMMMGPOBSA-N 1 2 210.227 2.214 20 30 BEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCO1 ZINC000159579204 385635019 /nfs/dbraw/zinc/63/50/19/385635019.db2.gz VOJIEFPSCVXMGT-CQSZACIVSA-N 1 2 248.301 2.308 20 30 BEEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCO1 ZINC000159579204 385635024 /nfs/dbraw/zinc/63/50/24/385635024.db2.gz VOJIEFPSCVXMGT-CQSZACIVSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccccn1 ZINC001645254210 1172648793 /nfs/dbraw/zinc/64/87/93/1172648793.db2.gz HJLGIALLILJIIN-LLVKDONJSA-N 1 2 238.294 2.199 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)C2)C1 ZINC000335016802 385973866 /nfs/dbraw/zinc/97/38/66/385973866.db2.gz YFRANTIYVLZENA-BDAKNGLRSA-N 1 2 200.232 2.020 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)C2)C1 ZINC000335016802 385973868 /nfs/dbraw/zinc/97/38/68/385973868.db2.gz YFRANTIYVLZENA-BDAKNGLRSA-N 1 2 200.232 2.020 20 30 BEEDLO CO[C@@H](C[N@H+](CCC#N)Cc1ccco1)C1CC1 ZINC000425426289 386046966 /nfs/dbraw/zinc/04/69/66/386046966.db2.gz RPWBYEIQXZFVPV-AWEZNQCLSA-N 1 2 248.326 2.420 20 30 BEEDLO CO[C@@H](C[N@@H+](CCC#N)Cc1ccco1)C1CC1 ZINC000425426289 386046972 /nfs/dbraw/zinc/04/69/72/386046972.db2.gz RPWBYEIQXZFVPV-AWEZNQCLSA-N 1 2 248.326 2.420 20 30 BEEDLO Cc1ccc(C[NH2+]CC(C)(C)C#N)nc1 ZINC000164671545 386164251 /nfs/dbraw/zinc/16/42/51/386164251.db2.gz MLDUDSYPPCLESU-UHFFFAOYSA-N 1 2 203.289 2.029 20 30 BEEDLO Cc1cc(N2CCC[C@@H]2C[C@H](C)O)c(C#N)c[nH+]1 ZINC000398996102 386410987 /nfs/dbraw/zinc/41/09/87/386410987.db2.gz PIYPGUXRAGPFJL-WCQYABFASA-N 1 2 245.326 2.001 20 30 BEEDLO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCO[C@H](C#N)C1 ZINC000191066318 386473017 /nfs/dbraw/zinc/47/30/17/386473017.db2.gz YKFNYEXNZRUEBU-MJBXVCDLSA-N 1 2 234.343 2.203 20 30 BEEDLO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCO[C@H](C#N)C1 ZINC000191066318 386473020 /nfs/dbraw/zinc/47/30/20/386473020.db2.gz YKFNYEXNZRUEBU-MJBXVCDLSA-N 1 2 234.343 2.203 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(C(C)=O)ccc1OCC ZINC000192232580 386488465 /nfs/dbraw/zinc/48/84/65/386488465.db2.gz WNIFBLHCACEQCJ-UHFFFAOYSA-N 1 2 245.322 2.353 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(C(C)=O)ccc1OCC ZINC000192232580 386488472 /nfs/dbraw/zinc/48/84/72/386488472.db2.gz WNIFBLHCACEQCJ-UHFFFAOYSA-N 1 2 245.322 2.353 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1F ZINC000267320969 386526208 /nfs/dbraw/zinc/52/62/08/386526208.db2.gz ONFVSPBVQRNLGT-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO C#CC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1F ZINC000267320969 386526213 /nfs/dbraw/zinc/52/62/13/386526213.db2.gz ONFVSPBVQRNLGT-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc(C)sc1C ZINC000339759030 386593302 /nfs/dbraw/zinc/59/33/02/386593302.db2.gz WDUKAMVTMYUZAL-UHFFFAOYSA-N 1 2 208.330 2.215 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc(C)sc1C ZINC000339759030 386593305 /nfs/dbraw/zinc/59/33/05/386593305.db2.gz WDUKAMVTMYUZAL-UHFFFAOYSA-N 1 2 208.330 2.215 20 30 BEEDLO C=CCC(C)(C)C(=O)NCc1c[nH+]ccc1OC ZINC000294651206 386684325 /nfs/dbraw/zinc/68/43/25/386684325.db2.gz QVZCCBLWPYIVGS-UHFFFAOYSA-N 1 2 248.326 2.309 20 30 BEEDLO Cc1[nH]c(C(=O)NCCC(C)(C)C)c[nH+]1 ZINC000330460472 386721676 /nfs/dbraw/zinc/72/16/76/386721676.db2.gz QWAKIIUSPITECB-UHFFFAOYSA-N 1 2 209.293 2.459 20 30 BEEDLO C[N@H+](Cc1nccs1)[C@H]1CC[C@H](C#N)C1 ZINC000292916353 386749273 /nfs/dbraw/zinc/74/92/73/386749273.db2.gz XPANSIBIAUGXQB-UWVGGRQHSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1nccs1)[C@H]1CC[C@H](C#N)C1 ZINC000292916353 386749280 /nfs/dbraw/zinc/74/92/80/386749280.db2.gz XPANSIBIAUGXQB-UWVGGRQHSA-N 1 2 221.329 2.267 20 30 BEEDLO CC(C)n1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)n1 ZINC000330645361 386810420 /nfs/dbraw/zinc/81/04/20/386810420.db2.gz FAQDPGBEMLBAJQ-AAEUAGOBSA-N 1 2 232.331 2.246 20 30 BEEDLO CCCCOCCCNc1cc(C)[nH+]cc1C#N ZINC000399528881 386976235 /nfs/dbraw/zinc/97/62/35/386976235.db2.gz TVJAQBMNEBPCQG-UHFFFAOYSA-N 1 2 247.342 2.302 20 30 BEEDLO Cc1cc(N(C)CCOCC2CC2)c(C#N)c[nH+]1 ZINC000399529110 386977000 /nfs/dbraw/zinc/97/70/00/386977000.db2.gz REQXQSRWIRQISB-UHFFFAOYSA-N 1 2 245.326 2.125 20 30 BEEDLO Cc1ccoc1C[NH2+]CC1(C#N)CCC1 ZINC000418140629 387164195 /nfs/dbraw/zinc/16/41/95/387164195.db2.gz JULYBTQCDIEFGO-UHFFFAOYSA-N 1 2 204.273 2.372 20 30 BEEDLO Cc1nc(C[NH2+]CC2(C#N)CCC2)cs1 ZINC000418144686 387166366 /nfs/dbraw/zinc/16/63/66/387166366.db2.gz UPTHZXHLWAANPL-UHFFFAOYSA-N 1 2 221.329 2.235 20 30 BEEDLO Cc1cnc(C[NH2+]CC2(C#N)CCC2)s1 ZINC000418145910 387169369 /nfs/dbraw/zinc/16/93/69/387169369.db2.gz ZJGAFSHPDUXBKT-UHFFFAOYSA-N 1 2 221.329 2.235 20 30 BEEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)c(C)n1 ZINC000187163264 387173777 /nfs/dbraw/zinc/17/37/77/387173777.db2.gz SINSFJWHBZGEHT-NSHDSACASA-N 1 2 217.316 2.432 20 30 BEEDLO Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)c(C)n1 ZINC000187163264 387173783 /nfs/dbraw/zinc/17/37/83/387173783.db2.gz SINSFJWHBZGEHT-NSHDSACASA-N 1 2 217.316 2.432 20 30 BEEDLO C=C(C)C(C)(C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000424677620 387245986 /nfs/dbraw/zinc/24/59/86/387245986.db2.gz HSXAOIGBYZKSKW-LBPRGKRZSA-N 1 2 249.358 2.238 20 30 BEEDLO C#CC[N@@H+](CC)Cc1c(F)cccc1F ZINC000263652434 387384281 /nfs/dbraw/zinc/38/42/81/387384281.db2.gz BRASOQMGIKWNJW-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO C#CC[N@H+](CC)Cc1c(F)cccc1F ZINC000263652434 387384288 /nfs/dbraw/zinc/38/42/88/387384288.db2.gz BRASOQMGIKWNJW-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO Cn1cc(C[NH+]2Cc3ccccc3C2)cc1C#N ZINC000191332169 387384362 /nfs/dbraw/zinc/38/43/62/387384362.db2.gz SAUSPRRHYGGPNK-UHFFFAOYSA-N 1 2 237.306 2.413 20 30 BEEDLO C#CC[N@@H+](CC)Cc1c(Cl)nc2ccccn21 ZINC000271115992 387439921 /nfs/dbraw/zinc/43/99/21/387439921.db2.gz BWCBKASNMSWRRR-UHFFFAOYSA-N 1 2 247.729 2.443 20 30 BEEDLO C#CC[N@H+](CC)Cc1c(Cl)nc2ccccn21 ZINC000271115992 387439925 /nfs/dbraw/zinc/43/99/25/387439925.db2.gz BWCBKASNMSWRRR-UHFFFAOYSA-N 1 2 247.729 2.443 20 30 BEEDLO C#CC[C@H]([NH2+]Cc1nonc1C)c1ccccc1 ZINC000271708781 387448044 /nfs/dbraw/zinc/44/80/44/387448044.db2.gz NYCAUGSGLIQEKU-ZDUSSCGKSA-N 1 2 241.294 2.232 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)NCCNc1cccc[nH+]1 ZINC000276091112 387518204 /nfs/dbraw/zinc/51/82/04/387518204.db2.gz HWAWAUZGJXIFAN-AWEZNQCLSA-N 1 2 247.342 2.212 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1CNc1cccc[nH+]1 ZINC000425280633 387522660 /nfs/dbraw/zinc/52/26/60/387522660.db2.gz KUKBOJCAXVHAKR-QWRGUYRKSA-N 1 2 204.273 2.085 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(C)s1)C1CC1 ZINC000274035299 387464439 /nfs/dbraw/zinc/46/44/39/387464439.db2.gz DUAKXLQFDOEUAN-UHFFFAOYSA-N 1 2 206.314 2.049 20 30 BEEDLO C#CC[N@H+](Cc1ncc(C)s1)C1CC1 ZINC000274035299 387464442 /nfs/dbraw/zinc/46/44/42/387464442.db2.gz DUAKXLQFDOEUAN-UHFFFAOYSA-N 1 2 206.314 2.049 20 30 BEEDLO C#CCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000274554075 387482653 /nfs/dbraw/zinc/48/26/53/387482653.db2.gz VPVCNJUOCJBBHV-JTQLQIEISA-N 1 2 238.381 2.256 20 30 BEEDLO C#CCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000274554075 387482660 /nfs/dbraw/zinc/48/26/60/387482660.db2.gz VPVCNJUOCJBBHV-JTQLQIEISA-N 1 2 238.381 2.256 20 30 BEEDLO CC#CCOc1ccccc1-n1cc[nH+]c1 ZINC000527489690 387581198 /nfs/dbraw/zinc/58/11/98/387581198.db2.gz WOPISASIDQKFSV-UHFFFAOYSA-N 1 2 212.252 2.274 20 30 BEEDLO C=C(CC)C[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426206835 387549174 /nfs/dbraw/zinc/54/91/74/387549174.db2.gz GSGXWGVEUISPFV-CYBMUJFWSA-N 1 2 238.375 2.141 20 30 BEEDLO C=C(CC)C[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000426206835 387549179 /nfs/dbraw/zinc/54/91/79/387549179.db2.gz GSGXWGVEUISPFV-CYBMUJFWSA-N 1 2 238.375 2.141 20 30 BEEDLO C=CCSCCNc1cc(C)[nH+]cc1C#N ZINC000399604905 387559650 /nfs/dbraw/zinc/55/96/50/387559650.db2.gz UVUNPBWYINAEPX-UHFFFAOYSA-N 1 2 233.340 2.015 20 30 BEEDLO CO[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441161331 387729635 /nfs/dbraw/zinc/72/96/35/387729635.db2.gz ZFARZFDAYOVXIX-ZDUSSCGKSA-N 1 2 249.741 2.412 20 30 BEEDLO CO[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441161331 387729641 /nfs/dbraw/zinc/72/96/41/387729641.db2.gz ZFARZFDAYOVXIX-ZDUSSCGKSA-N 1 2 249.741 2.412 20 30 BEEDLO CCCN(CC#N)Cc1cn2c(cccc2C)[nH+]1 ZINC000194970668 387903081 /nfs/dbraw/zinc/90/30/81/387903081.db2.gz IPIXNESAQPRCPT-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc2ccccc2n1C ZINC000177203006 387914001 /nfs/dbraw/zinc/91/40/01/387914001.db2.gz RPCVBCIHFYTUKA-UHFFFAOYSA-N 1 2 227.311 2.028 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000177203006 387914007 /nfs/dbraw/zinc/91/40/07/387914007.db2.gz RPCVBCIHFYTUKA-UHFFFAOYSA-N 1 2 227.311 2.028 20 30 BEEDLO C=CCC[C@H](O)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444726022 387916984 /nfs/dbraw/zinc/91/69/84/387916984.db2.gz IBYFECROQAAAPQ-STQMWFEESA-N 1 2 236.359 2.328 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444726022 387916988 /nfs/dbraw/zinc/91/69/88/387916988.db2.gz IBYFECROQAAAPQ-STQMWFEESA-N 1 2 236.359 2.328 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444726019 387917442 /nfs/dbraw/zinc/91/74/42/387917442.db2.gz IBYFECROQAAAPQ-CHWSQXEVSA-N 1 2 236.359 2.328 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444726019 387917446 /nfs/dbraw/zinc/91/74/46/387917446.db2.gz IBYFECROQAAAPQ-CHWSQXEVSA-N 1 2 236.359 2.328 20 30 BEEDLO C=CC[C@@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420925994 388016691 /nfs/dbraw/zinc/01/66/91/388016691.db2.gz YYTAIFUQJOXUAH-SNVBAGLBSA-N 1 2 247.342 2.462 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(C2CC2)nn1C ZINC000645893940 388031445 /nfs/dbraw/zinc/03/14/45/388031445.db2.gz NYYGFJJMTBWGIC-GFCCVEGCSA-N 1 2 246.358 2.233 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(C2CC2)nn1C ZINC000645893940 388031447 /nfs/dbraw/zinc/03/14/47/388031447.db2.gz NYYGFJJMTBWGIC-GFCCVEGCSA-N 1 2 246.358 2.233 20 30 BEEDLO C=Cn1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000447734514 388089362 /nfs/dbraw/zinc/08/93/62/388089362.db2.gz WPYAPBHFYDOSAB-NSHDSACASA-N 1 2 230.315 2.108 20 30 BEEDLO C=Cn1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000447734514 388089363 /nfs/dbraw/zinc/08/93/63/388089363.db2.gz WPYAPBHFYDOSAB-NSHDSACASA-N 1 2 230.315 2.108 20 30 BEEDLO COCC[N@H+](CC#N)CC1CCCCCC1 ZINC000453603700 388090900 /nfs/dbraw/zinc/09/09/00/388090900.db2.gz YKPAISXVHWYQRH-UHFFFAOYSA-N 1 2 224.348 2.429 20 30 BEEDLO COCC[N@@H+](CC#N)CC1CCCCCC1 ZINC000453603700 388090901 /nfs/dbraw/zinc/09/09/01/388090901.db2.gz YKPAISXVHWYQRH-UHFFFAOYSA-N 1 2 224.348 2.429 20 30 BEEDLO C=C(C)CCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455328155 388156135 /nfs/dbraw/zinc/15/61/35/388156135.db2.gz QVXKNHHVCZSVNY-MNOVXSKESA-N 1 2 248.330 2.154 20 30 BEEDLO C=C(C)CCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455328154 388156275 /nfs/dbraw/zinc/15/62/75/388156275.db2.gz QVXKNHHVCZSVNY-GHMZBOCLSA-N 1 2 248.330 2.154 20 30 BEEDLO C=CC(C)(C)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000456116497 388179438 /nfs/dbraw/zinc/17/94/38/388179438.db2.gz MRUSUBILYAVKTC-UHFFFAOYSA-N 1 2 235.331 2.016 20 30 BEEDLO C=C[C@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454678669 388129153 /nfs/dbraw/zinc/12/91/53/388129153.db2.gz QTBGVIXUGOUZJZ-JTQLQIEISA-N 1 2 233.315 2.072 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cc2cccnc2o1 ZINC000449014202 388129984 /nfs/dbraw/zinc/12/99/84/388129984.db2.gz HDGYWWHWSWWIRP-SNVBAGLBSA-N 1 2 229.283 2.419 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc2cccnc2o1 ZINC000449014202 388129986 /nfs/dbraw/zinc/12/99/86/388129986.db2.gz HDGYWWHWSWWIRP-SNVBAGLBSA-N 1 2 229.283 2.419 20 30 BEEDLO C=CC(C)(C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000455038024 388146523 /nfs/dbraw/zinc/14/65/23/388146523.db2.gz JXTIOHZLSXFERI-UHFFFAOYSA-N 1 2 233.315 2.146 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ccncc1Cl ZINC000490840204 388256467 /nfs/dbraw/zinc/25/64/67/388256467.db2.gz MPWFLDDTNIHVKY-UHFFFAOYSA-N 1 2 208.692 2.190 20 30 BEEDLO C#CC[N@H+](CC)Cc1ccncc1Cl ZINC000490840204 388256468 /nfs/dbraw/zinc/25/64/68/388256468.db2.gz MPWFLDDTNIHVKY-UHFFFAOYSA-N 1 2 208.692 2.190 20 30 BEEDLO C#CC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000490865350 388257045 /nfs/dbraw/zinc/25/70/45/388257045.db2.gz BIWIHYXUCHPETB-UHFFFAOYSA-N 1 2 225.295 2.142 20 30 BEEDLO C#CC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000490865350 388257047 /nfs/dbraw/zinc/25/70/47/388257047.db2.gz BIWIHYXUCHPETB-UHFFFAOYSA-N 1 2 225.295 2.142 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)OC(C)(C)C ZINC000489430973 388210578 /nfs/dbraw/zinc/21/05/78/388210578.db2.gz HRCMNZYNJAGGPM-LLVKDONJSA-N 1 2 225.332 2.369 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000489430973 388210579 /nfs/dbraw/zinc/21/05/79/388210579.db2.gz HRCMNZYNJAGGPM-LLVKDONJSA-N 1 2 225.332 2.369 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)OC(C)(C)C ZINC000489430975 388211661 /nfs/dbraw/zinc/21/16/61/388211661.db2.gz HRCMNZYNJAGGPM-NSHDSACASA-N 1 2 225.332 2.369 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000489430975 388211664 /nfs/dbraw/zinc/21/16/64/388211664.db2.gz HRCMNZYNJAGGPM-NSHDSACASA-N 1 2 225.332 2.369 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(CC)cc(=O)[nH]1 ZINC000489428888 388212458 /nfs/dbraw/zinc/21/24/58/388212458.db2.gz FOLBDWVMOKPCHP-GFCCVEGCSA-N 1 2 247.342 2.285 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cnn(C(C)(C)C)c1 ZINC000490924203 388260472 /nfs/dbraw/zinc/26/04/72/388260472.db2.gz OFGUFNOCFDOFOF-UHFFFAOYSA-N 1 2 243.354 2.097 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cnn(C(C)(C)C)c1 ZINC000490924203 388260473 /nfs/dbraw/zinc/26/04/73/388260473.db2.gz OFGUFNOCFDOFOF-UHFFFAOYSA-N 1 2 243.354 2.097 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000491287700 388282469 /nfs/dbraw/zinc/28/24/69/388282469.db2.gz NRVJLGPPUSPZJB-GFCCVEGCSA-N 1 2 244.338 2.141 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000491287700 388282471 /nfs/dbraw/zinc/28/24/71/388282471.db2.gz NRVJLGPPUSPZJB-GFCCVEGCSA-N 1 2 244.338 2.141 20 30 BEEDLO C#CC[N@@H+](Cc1ccc(C(=O)OC)s1)C1CC1 ZINC000491350512 388287770 /nfs/dbraw/zinc/28/77/70/388287770.db2.gz OETIRAUPNCGHTC-UHFFFAOYSA-N 1 2 249.335 2.132 20 30 BEEDLO C#CC[N@H+](Cc1ccc(C(=O)OC)s1)C1CC1 ZINC000491350512 388287772 /nfs/dbraw/zinc/28/77/72/388287772.db2.gz OETIRAUPNCGHTC-UHFFFAOYSA-N 1 2 249.335 2.132 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1nn(C)c(C)c1Cl)C(C)C ZINC000491384276 388290925 /nfs/dbraw/zinc/29/09/25/388290925.db2.gz OHHFCCCBMGTUTN-SNVBAGLBSA-N 1 2 239.750 2.129 20 30 BEEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@H](F)CC)n1 ZINC000491483985 388297681 /nfs/dbraw/zinc/29/76/81/388297681.db2.gz GHNHBKYGWSGSGJ-LBPRGKRZSA-N 1 2 237.322 2.086 20 30 BEEDLO C#CCn1ccc(C[N@H+](CC)C[C@@H](F)CC)n1 ZINC000491483985 388297683 /nfs/dbraw/zinc/29/76/83/388297683.db2.gz GHNHBKYGWSGSGJ-LBPRGKRZSA-N 1 2 237.322 2.086 20 30 BEEDLO C#CC[NH+](CC#C)[C@@H](C)c1nc2ccccc2o1 ZINC000491536175 388301805 /nfs/dbraw/zinc/30/18/05/388301805.db2.gz IFOZEILNWYDXQF-LBPRGKRZSA-N 1 2 238.290 2.457 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cccnc1Cl ZINC000491555063 388303729 /nfs/dbraw/zinc/30/37/29/388303729.db2.gz OJINCIPFWTUTGE-SECBINFHSA-N 1 2 208.692 2.189 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cccnc1Cl ZINC000491555063 388303730 /nfs/dbraw/zinc/30/37/30/388303730.db2.gz OJINCIPFWTUTGE-SECBINFHSA-N 1 2 208.692 2.189 20 30 BEEDLO C#CC[N@@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000491700714 388312574 /nfs/dbraw/zinc/31/25/74/388312574.db2.gz OXOFKZLHZNSNRC-UHFFFAOYSA-N 1 2 245.282 2.011 20 30 BEEDLO C#CC[N@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000491700714 388312575 /nfs/dbraw/zinc/31/25/75/388312575.db2.gz OXOFKZLHZNSNRC-UHFFFAOYSA-N 1 2 245.282 2.011 20 30 BEEDLO C#CC[N@@H+](C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000491717270 388314310 /nfs/dbraw/zinc/31/43/10/388314310.db2.gz VYYWLOAVKLKRBQ-UHFFFAOYSA-N 1 2 241.294 2.110 20 30 BEEDLO C#CC[N@H+](C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000491717270 388314311 /nfs/dbraw/zinc/31/43/11/388314311.db2.gz VYYWLOAVKLKRBQ-UHFFFAOYSA-N 1 2 241.294 2.110 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000491808723 388322427 /nfs/dbraw/zinc/32/24/27/388322427.db2.gz WDHNSXCJAYTHBY-AWEZNQCLSA-N 1 2 240.306 2.002 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc2cc[nH]c21 ZINC000491808723 388322428 /nfs/dbraw/zinc/32/24/28/388322428.db2.gz WDHNSXCJAYTHBY-AWEZNQCLSA-N 1 2 240.306 2.002 20 30 BEEDLO C=CCCCN(C)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492452403 388344460 /nfs/dbraw/zinc/34/44/60/388344460.db2.gz CYBOMWCSMUJVFR-HJWRWDBZSA-N 1 2 247.342 2.341 20 30 BEEDLO CC(C)(C#N)[NH+]1CCC(C2CCOCC2)CC1 ZINC000162040728 388346144 /nfs/dbraw/zinc/34/61/44/388346144.db2.gz PWPPWICGVVABNG-UHFFFAOYSA-N 1 2 236.359 2.427 20 30 BEEDLO C=CCC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CCC1 ZINC000572788287 388377087 /nfs/dbraw/zinc/37/70/87/388377087.db2.gz SSYOOAVONIHTIY-SNVBAGLBSA-N 1 2 233.315 2.333 20 30 BEEDLO C=C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000335511923 388450806 /nfs/dbraw/zinc/45/08/06/388450806.db2.gz PAFIGMMPEQFPSP-UHFFFAOYSA-N 1 2 213.284 2.418 20 30 BEEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1csc(CC)n1 ZINC000649256224 388472378 /nfs/dbraw/zinc/47/23/78/388472378.db2.gz XASKSZPOGJBYRV-NSHDSACASA-N 1 2 240.372 2.074 20 30 BEEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1csc(CC)n1 ZINC000649256224 388472381 /nfs/dbraw/zinc/47/23/81/388472381.db2.gz XASKSZPOGJBYRV-NSHDSACASA-N 1 2 240.372 2.074 20 30 BEEDLO C=C(C)CCNc1nc(C2CC2)[nH+]c(C)c1OC ZINC000564346894 388529784 /nfs/dbraw/zinc/52/97/84/388529784.db2.gz GJKODSTZFVMWHQ-UHFFFAOYSA-N 1 2 247.342 2.471 20 30 BEEDLO N#CCCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528736549 388565239 /nfs/dbraw/zinc/56/52/39/388565239.db2.gz DTEPCNSMPQSQDG-UHFFFAOYSA-N 1 2 242.326 2.016 20 30 BEEDLO N#CCCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528736549 388565241 /nfs/dbraw/zinc/56/52/41/388565241.db2.gz DTEPCNSMPQSQDG-UHFFFAOYSA-N 1 2 242.326 2.016 20 30 BEEDLO CC[C@H]1CN(C)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000552136156 388575167 /nfs/dbraw/zinc/57/51/67/388575167.db2.gz YNVLZXOZJCDPCC-LBPRGKRZSA-N 1 2 249.383 2.146 20 30 BEEDLO CC[C@H]1CN(C)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000552136156 388575170 /nfs/dbraw/zinc/57/51/70/388575170.db2.gz YNVLZXOZJCDPCC-LBPRGKRZSA-N 1 2 249.383 2.146 20 30 BEEDLO Cc1ccc(NCc2nc(C#N)cs2)c[nH+]1 ZINC000309846246 388665942 /nfs/dbraw/zinc/66/59/42/388665942.db2.gz GSNTYGXEKQTIIK-UHFFFAOYSA-N 1 2 230.296 2.330 20 30 BEEDLO C#CC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000192224859 388677514 /nfs/dbraw/zinc/67/75/14/388677514.db2.gz QVCUUUQCDKMPCT-UHFFFAOYSA-N 1 2 226.279 2.407 20 30 BEEDLO C#CC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000192224859 388677515 /nfs/dbraw/zinc/67/75/15/388677515.db2.gz QVCUUUQCDKMPCT-UHFFFAOYSA-N 1 2 226.279 2.407 20 30 BEEDLO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@@H](C#N)C1 ZINC000248500946 388682548 /nfs/dbraw/zinc/68/25/48/388682548.db2.gz SYEQLWJCPUELCR-AGIUHOORSA-N 1 2 222.332 2.037 20 30 BEEDLO C[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@@H](C#N)C1 ZINC000248500946 388682551 /nfs/dbraw/zinc/68/25/51/388682551.db2.gz SYEQLWJCPUELCR-AGIUHOORSA-N 1 2 222.332 2.037 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cn[nH]c1 ZINC000358815140 388627565 /nfs/dbraw/zinc/62/75/65/388627565.db2.gz VOJYBAQRBXBGNP-SECBINFHSA-N 1 2 244.273 2.271 20 30 BEEDLO CO[C@@H](C[N@@H+]1Cc2cccc(C#N)c2C1)C1CC1 ZINC000405105727 388637443 /nfs/dbraw/zinc/63/74/43/388637443.db2.gz KLRJFNDDRQNSPH-HNNXBMFYSA-N 1 2 242.322 2.299 20 30 BEEDLO CO[C@@H](C[N@H+]1Cc2cccc(C#N)c2C1)C1CC1 ZINC000405105727 388637446 /nfs/dbraw/zinc/63/74/46/388637446.db2.gz KLRJFNDDRQNSPH-HNNXBMFYSA-N 1 2 242.322 2.299 20 30 BEEDLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(C#N)c(F)c1 ZINC000361837351 388638696 /nfs/dbraw/zinc/63/86/96/388638696.db2.gz LDTSSNRCCFUDET-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(C#N)c(F)c1 ZINC000361837351 388638699 /nfs/dbraw/zinc/63/86/99/388638699.db2.gz LDTSSNRCCFUDET-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2cc(C#N)cs2)[C@H]1C ZINC000093418635 388742938 /nfs/dbraw/zinc/74/29/38/388742938.db2.gz DMHBIPHRVHSTIY-VHSXEESVSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2cc(C#N)cs2)[C@H]1C ZINC000093418635 388742942 /nfs/dbraw/zinc/74/29/42/388742942.db2.gz DMHBIPHRVHSTIY-VHSXEESVSA-N 1 2 236.340 2.229 20 30 BEEDLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037886431 388744080 /nfs/dbraw/zinc/74/40/80/388744080.db2.gz HEHQFXRPAYJOSZ-JTQLQIEISA-N 1 2 240.310 2.441 20 30 BEEDLO N#Cc1ccc(C[NH2+]C(CF)CF)s1 ZINC000449377701 388748496 /nfs/dbraw/zinc/74/84/96/388748496.db2.gz BLPJSVWZDPUVHH-UHFFFAOYSA-N 1 2 216.256 2.017 20 30 BEEDLO C=CC[N@@H+](CCc1ccccc1)CC(=O)OCC ZINC000065684784 388697167 /nfs/dbraw/zinc/69/71/67/388697167.db2.gz NRRALMVLNSCKAD-UHFFFAOYSA-N 1 2 247.338 2.280 20 30 BEEDLO C=CC[N@H+](CCc1ccccc1)CC(=O)OCC ZINC000065684784 388697170 /nfs/dbraw/zinc/69/71/70/388697170.db2.gz NRRALMVLNSCKAD-UHFFFAOYSA-N 1 2 247.338 2.280 20 30 BEEDLO CCC(O)(CC)CCNc1cc(C)[nH+]cc1C#N ZINC000425252036 388702394 /nfs/dbraw/zinc/70/23/94/388702394.db2.gz GJDJBVBOOUJLBZ-UHFFFAOYSA-N 1 2 247.342 2.037 20 30 BEEDLO CCC[C@@H](CNc1cc(C)[nH+]cc1C#N)OCC ZINC000528079529 388703037 /nfs/dbraw/zinc/70/30/37/388703037.db2.gz FCDYHLDUBFGJBB-ZDUSSCGKSA-N 1 2 247.342 2.301 20 30 BEEDLO CC(C)n1ccnc1C[NH+]1CCC(C#N)CC1 ZINC000195515439 388711358 /nfs/dbraw/zinc/71/13/58/388711358.db2.gz DSUMPNHBZPRHAU-UHFFFAOYSA-N 1 2 232.331 2.200 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc(C#N)cs1 ZINC000127672299 388730540 /nfs/dbraw/zinc/73/05/40/388730540.db2.gz BLTZMPOIKQSMST-UHFFFAOYSA-N 1 2 219.313 2.355 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc(C#N)cs1 ZINC000127672299 388730542 /nfs/dbraw/zinc/73/05/42/388730542.db2.gz BLTZMPOIKQSMST-UHFFFAOYSA-N 1 2 219.313 2.355 20 30 BEEDLO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000123453876 388732150 /nfs/dbraw/zinc/73/21/50/388732150.db2.gz GGGTWSQHLWJDCV-VXGBXAGGSA-N 1 2 232.327 2.055 20 30 BEEDLO C#C[C@@H](CC)[NH2+]Cc1ncc(Cl)s1 ZINC000229902187 388805275 /nfs/dbraw/zinc/80/52/75/388805275.db2.gz WAAVKJOWJPHZJH-ZETCQYMHSA-N 1 2 214.721 2.298 20 30 BEEDLO C#C[C@@H](C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000302465224 533235398 /nfs/dbraw/zinc/23/53/98/533235398.db2.gz VUWQGLLDZOXKSU-SECBINFHSA-N 1 2 243.314 2.015 20 30 BEEDLO Cc1cn2c([nH+]1)CN(c1ccc(C#N)cc1)CC2 ZINC000371709783 132285208 /nfs/dbraw/zinc/28/52/08/132285208.db2.gz WLZVAVUTYGIHND-UHFFFAOYSA-N 1 2 238.294 2.083 20 30 BEEDLO Cc1cc(NC(=O)CC(C)(C)C#N)cc[nH+]1 ZINC000278745283 133553518 /nfs/dbraw/zinc/55/35/18/133553518.db2.gz MBYIVILFNBVZCW-UHFFFAOYSA-N 1 2 217.272 2.268 20 30 BEEDLO Cc1cccc2[nH+]cc(CN(C)C[C@H](C)C#N)n21 ZINC000352096886 134063641 /nfs/dbraw/zinc/06/36/41/134063641.db2.gz LJUAQFUSKAJPSD-LLVKDONJSA-N 1 2 242.326 2.234 20 30 BEEDLO CC(C)(C)[C@H]1C[N@H+](CC2(C#N)CC2)CCO1 ZINC000336349160 134144252 /nfs/dbraw/zinc/14/42/52/134144252.db2.gz NACWFJJGVPNEHP-LLVKDONJSA-N 1 2 222.332 2.037 20 30 BEEDLO CC(C)(C)[C@H]1C[N@@H+](CC2(C#N)CC2)CCO1 ZINC000336349160 134144253 /nfs/dbraw/zinc/14/42/53/134144253.db2.gz NACWFJJGVPNEHP-LLVKDONJSA-N 1 2 222.332 2.037 20 30 BEEDLO N#CC1(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)CC1 ZINC000336471548 134148225 /nfs/dbraw/zinc/14/82/25/134148225.db2.gz RNJUCUVPSBWXDQ-GFCCVEGCSA-N 1 2 230.315 2.240 20 30 BEEDLO N#CC1(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)CC1 ZINC000336471548 134148226 /nfs/dbraw/zinc/14/82/26/134148226.db2.gz RNJUCUVPSBWXDQ-GFCCVEGCSA-N 1 2 230.315 2.240 20 30 BEEDLO CC(C)n1cc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000354017014 134165756 /nfs/dbraw/zinc/16/57/56/134165756.db2.gz GGZFPMFMFYPWKA-UHFFFAOYSA-N 1 2 234.347 2.446 20 30 BEEDLO CC(C)n1cc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000354017014 134165757 /nfs/dbraw/zinc/16/57/57/134165757.db2.gz GGZFPMFMFYPWKA-UHFFFAOYSA-N 1 2 234.347 2.446 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000354043945 134166585 /nfs/dbraw/zinc/16/65/85/134166585.db2.gz CVPXHLONTFAONE-VIFPVBQESA-N 1 2 232.331 2.151 20 30 BEEDLO Cc1n[nH]c(C)c1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000354043945 134166586 /nfs/dbraw/zinc/16/65/86/134166586.db2.gz CVPXHLONTFAONE-VIFPVBQESA-N 1 2 232.331 2.151 20 30 BEEDLO C=CCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000114158735 134174860 /nfs/dbraw/zinc/17/48/60/134174860.db2.gz UMMBYXNQIMKNSA-UHFFFAOYSA-N 1 2 241.294 2.097 20 30 BEEDLO CC[C@@H]1C[C@@H](C[N@H+](CC#N)C2CC2)CCO1 ZINC000356971813 134181381 /nfs/dbraw/zinc/18/13/81/134181381.db2.gz AQWCLEZJDJYIOY-WCQYABFASA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@@H]1C[C@@H](C[N@@H+](CC#N)C2CC2)CCO1 ZINC000356971813 134181382 /nfs/dbraw/zinc/18/13/82/134181382.db2.gz AQWCLEZJDJYIOY-WCQYABFASA-N 1 2 222.332 2.180 20 30 BEEDLO C=CC[N@@H+](Cc1csc(COC)n1)C1CC1 ZINC000357552337 134183925 /nfs/dbraw/zinc/18/39/25/134183925.db2.gz MDYQUGOPSMXJGC-UHFFFAOYSA-N 1 2 238.356 2.440 20 30 BEEDLO C=CC[N@H+](Cc1csc(COC)n1)C1CC1 ZINC000357552337 134183926 /nfs/dbraw/zinc/18/39/26/134183926.db2.gz MDYQUGOPSMXJGC-UHFFFAOYSA-N 1 2 238.356 2.440 20 30 BEEDLO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CCC#N ZINC000358777329 134192476 /nfs/dbraw/zinc/19/24/76/134192476.db2.gz FTXSDAJMYFGSBO-STQMWFEESA-N 1 2 224.348 2.427 20 30 BEEDLO C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)CCC#N ZINC000358777329 134192477 /nfs/dbraw/zinc/19/24/77/134192477.db2.gz FTXSDAJMYFGSBO-STQMWFEESA-N 1 2 224.348 2.427 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(C2CCC2)n1C)C1CC1 ZINC000361096389 134203139 /nfs/dbraw/zinc/20/31/39/134203139.db2.gz LSPMEFWJOXKJMJ-UHFFFAOYSA-N 1 2 246.358 2.233 20 30 BEEDLO C=CC[N@H+](Cc1nnc(C2CCC2)n1C)C1CC1 ZINC000361096389 134203140 /nfs/dbraw/zinc/20/31/40/134203140.db2.gz LSPMEFWJOXKJMJ-UHFFFAOYSA-N 1 2 246.358 2.233 20 30 BEEDLO C=CCCC[N@@H+](CCOC)CC(F)F ZINC000117879147 134221866 /nfs/dbraw/zinc/22/18/66/134221866.db2.gz JUDIVPNIXLNNBN-UHFFFAOYSA-N 1 2 207.264 2.166 20 30 BEEDLO C=CCCC[N@H+](CCOC)CC(F)F ZINC000117879147 134221867 /nfs/dbraw/zinc/22/18/67/134221867.db2.gz JUDIVPNIXLNNBN-UHFFFAOYSA-N 1 2 207.264 2.166 20 30 BEEDLO C#CC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000369804384 134223220 /nfs/dbraw/zinc/22/32/20/134223220.db2.gz UBGPYKKQGNESDL-CABCVRRESA-N 1 2 224.307 2.391 20 30 BEEDLO C#CC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000369804384 134223221 /nfs/dbraw/zinc/22/32/21/134223221.db2.gz UBGPYKKQGNESDL-CABCVRRESA-N 1 2 224.307 2.391 20 30 BEEDLO C=C(C)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000370072558 134224226 /nfs/dbraw/zinc/22/42/26/134224226.db2.gz LVGSVYMKFGZTGM-GFCCVEGCSA-N 1 2 228.299 2.060 20 30 BEEDLO C=C(C)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000370072566 134224269 /nfs/dbraw/zinc/22/42/69/134224269.db2.gz LVGSVYMKFGZTGM-LBPRGKRZSA-N 1 2 228.299 2.060 20 30 BEEDLO N#C[C@@H]1C[N@H+](C[C@H]2CC=CCC2)CCN1C1CC1 ZINC000371328317 134228196 /nfs/dbraw/zinc/22/81/96/134228196.db2.gz UKMJOQVJPJIJRS-DZGCQCFKSA-N 1 2 245.370 2.015 20 30 BEEDLO N#C[C@@H]1C[N@@H+](C[C@H]2CC=CCC2)CCN1C1CC1 ZINC000371328317 134228197 /nfs/dbraw/zinc/22/81/97/134228197.db2.gz UKMJOQVJPJIJRS-DZGCQCFKSA-N 1 2 245.370 2.015 20 30 BEEDLO C=C(Cl)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000375664547 134240423 /nfs/dbraw/zinc/24/04/23/134240423.db2.gz IZKDXCKMIQZAKN-UHFFFAOYSA-N 1 2 237.734 2.262 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000375664547 134240424 /nfs/dbraw/zinc/24/04/24/134240424.db2.gz IZKDXCKMIQZAKN-UHFFFAOYSA-N 1 2 237.734 2.262 20 30 BEEDLO C#CC[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000377579638 134244198 /nfs/dbraw/zinc/24/41/98/134244198.db2.gz FVKBEJCANATQTM-UHFFFAOYSA-N 1 2 224.307 2.468 20 30 BEEDLO C#CC[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000377579638 134244199 /nfs/dbraw/zinc/24/41/99/134244199.db2.gz FVKBEJCANATQTM-UHFFFAOYSA-N 1 2 224.307 2.468 20 30 BEEDLO C=C(Cl)C[N@H+]1CCCCC[C@@H]1C(=O)OC ZINC000378579874 134246383 /nfs/dbraw/zinc/24/63/83/134246383.db2.gz RBXVBJQHNZAQCN-SNVBAGLBSA-N 1 2 231.723 2.157 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1C(=O)OC ZINC000378579874 134246384 /nfs/dbraw/zinc/24/63/84/134246384.db2.gz RBXVBJQHNZAQCN-SNVBAGLBSA-N 1 2 231.723 2.157 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000181255871 134334429 /nfs/dbraw/zinc/33/44/29/134334429.db2.gz YXWVRVNZUOMXFY-UHFFFAOYSA-N 1 2 209.293 2.201 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000181255871 134334430 /nfs/dbraw/zinc/33/44/30/134334430.db2.gz YXWVRVNZUOMXFY-UHFFFAOYSA-N 1 2 209.293 2.201 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000181281103 134335422 /nfs/dbraw/zinc/33/54/22/134335422.db2.gz LAQBRRVIDWZHAZ-UHFFFAOYSA-N 1 2 223.320 2.375 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000181281103 134335423 /nfs/dbraw/zinc/33/54/23/134335423.db2.gz LAQBRRVIDWZHAZ-UHFFFAOYSA-N 1 2 223.320 2.375 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000181767660 134339545 /nfs/dbraw/zinc/33/95/45/134339545.db2.gz RLTVCXMQNSKTBR-UHFFFAOYSA-N 1 2 246.358 2.498 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000181767660 134339546 /nfs/dbraw/zinc/33/95/46/134339546.db2.gz RLTVCXMQNSKTBR-UHFFFAOYSA-N 1 2 246.358 2.498 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1cccc(C#N)c1 ZINC000063300887 134396570 /nfs/dbraw/zinc/39/65/70/134396570.db2.gz RUCKEQCXWLIKTI-UHFFFAOYSA-N 1 2 225.295 2.460 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1cccc(C#N)c1 ZINC000063300887 134396571 /nfs/dbraw/zinc/39/65/71/134396571.db2.gz RUCKEQCXWLIKTI-UHFFFAOYSA-N 1 2 225.295 2.460 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)c(OC)c1 ZINC000097078780 134453221 /nfs/dbraw/zinc/45/32/21/134453221.db2.gz GZVBPUNLHPDXKE-NSHDSACASA-N 1 2 248.326 2.438 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)c(OC)c1 ZINC000097078780 134453222 /nfs/dbraw/zinc/45/32/22/134453222.db2.gz GZVBPUNLHPDXKE-NSHDSACASA-N 1 2 248.326 2.438 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337416165 135015500 /nfs/dbraw/zinc/01/55/00/135015500.db2.gz ROKLEFJSIWSZOQ-WDEREUQCSA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000337416165 135015502 /nfs/dbraw/zinc/01/55/02/135015502.db2.gz ROKLEFJSIWSZOQ-WDEREUQCSA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000337416163 135015959 /nfs/dbraw/zinc/01/59/59/135015959.db2.gz ROKLEFJSIWSZOQ-MNOVXSKESA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1C(F)F ZINC000337416163 135015961 /nfs/dbraw/zinc/01/59/61/135015961.db2.gz ROKLEFJSIWSZOQ-MNOVXSKESA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000338569082 135040515 /nfs/dbraw/zinc/04/05/15/135040515.db2.gz PRRQLAADPYRBOI-GFCCVEGCSA-N 1 2 228.299 2.060 20 30 BEEDLO C=CCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339118158 135061721 /nfs/dbraw/zinc/06/17/21/135061721.db2.gz YDHCKLFYEFULGN-UHFFFAOYSA-N 1 2 236.271 2.308 20 30 BEEDLO C=CCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339118158 135061723 /nfs/dbraw/zinc/06/17/23/135061723.db2.gz YDHCKLFYEFULGN-UHFFFAOYSA-N 1 2 236.271 2.308 20 30 BEEDLO N#CCCOCC[N@H+]1CCCC[C@H]1C(F)F ZINC000339154486 135063007 /nfs/dbraw/zinc/06/30/07/135063007.db2.gz HJEGVKAWMNAAGO-JTQLQIEISA-N 1 2 232.274 2.036 20 30 BEEDLO N#CCCOCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000339154486 135063010 /nfs/dbraw/zinc/06/30/10/135063010.db2.gz HJEGVKAWMNAAGO-JTQLQIEISA-N 1 2 232.274 2.036 20 30 BEEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366543518 135089266 /nfs/dbraw/zinc/08/92/66/135089266.db2.gz IAGLOLIENNYMLT-CABCVRRESA-N 1 2 245.322 2.225 20 30 BEEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366543518 135089267 /nfs/dbraw/zinc/08/92/67/135089267.db2.gz IAGLOLIENNYMLT-CABCVRRESA-N 1 2 245.322 2.225 20 30 BEEDLO Cc1cnn(CCCCC[N@H+](CC#N)C2CC2)c1 ZINC000264140308 135134930 /nfs/dbraw/zinc/13/49/30/135134930.db2.gz OGXNMHQWOKSBEP-UHFFFAOYSA-N 1 2 246.358 2.350 20 30 BEEDLO Cc1cnn(CCCCC[N@@H+](CC#N)C2CC2)c1 ZINC000264140308 135134931 /nfs/dbraw/zinc/13/49/31/135134931.db2.gz OGXNMHQWOKSBEP-UHFFFAOYSA-N 1 2 246.358 2.350 20 30 BEEDLO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CC#N ZINC000266906175 135150627 /nfs/dbraw/zinc/15/06/27/135150627.db2.gz BKDGTXDKQGBHDT-GXTWGEPZSA-N 1 2 214.312 2.463 20 30 BEEDLO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC#N ZINC000266906175 135150629 /nfs/dbraw/zinc/15/06/29/135150629.db2.gz BKDGTXDKQGBHDT-GXTWGEPZSA-N 1 2 214.312 2.463 20 30 BEEDLO CC[N@H+](CCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000267027628 135151218 /nfs/dbraw/zinc/15/12/18/135151218.db2.gz AFFNYIZGIPYGQQ-ZDUSSCGKSA-N 1 2 236.290 2.095 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000267027628 135151219 /nfs/dbraw/zinc/15/12/19/135151219.db2.gz AFFNYIZGIPYGQQ-ZDUSSCGKSA-N 1 2 236.290 2.095 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000268326087 135159276 /nfs/dbraw/zinc/15/92/76/135159276.db2.gz VSUCPPZZFRZBNE-GFCCVEGCSA-N 1 2 243.310 2.323 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000268326087 135159278 /nfs/dbraw/zinc/15/92/78/135159278.db2.gz VSUCPPZZFRZBNE-GFCCVEGCSA-N 1 2 243.310 2.323 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1ccccc1O ZINC000292843074 135178245 /nfs/dbraw/zinc/17/82/45/135178245.db2.gz SKPOJJSCDILRSR-UHFFFAOYSA-N 1 2 216.284 2.294 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1ccccc1O ZINC000292843074 135178246 /nfs/dbraw/zinc/17/82/46/135178246.db2.gz SKPOJJSCDILRSR-UHFFFAOYSA-N 1 2 216.284 2.294 20 30 BEEDLO C=CC[N@@H+](CCC#N)Cc1cccc(F)c1O ZINC000292767380 135178324 /nfs/dbraw/zinc/17/83/24/135178324.db2.gz KBWRTKGKULETDH-UHFFFAOYSA-N 1 2 234.274 2.433 20 30 BEEDLO C=CC[N@H+](CCC#N)Cc1cccc(F)c1O ZINC000292767380 135178326 /nfs/dbraw/zinc/17/83/26/135178326.db2.gz KBWRTKGKULETDH-UHFFFAOYSA-N 1 2 234.274 2.433 20 30 BEEDLO C=CC[N@H+](CCC#N)[C@@H]1CC[C@@H](C#N)C1 ZINC000293507759 135181215 /nfs/dbraw/zinc/18/12/15/135181215.db2.gz HWHRGAMVWHAGOG-VXGBXAGGSA-N 1 2 203.289 2.080 20 30 BEEDLO C=CC[N@@H+](CCC#N)[C@@H]1CC[C@@H](C#N)C1 ZINC000293507759 135181217 /nfs/dbraw/zinc/18/12/17/135181217.db2.gz HWHRGAMVWHAGOG-VXGBXAGGSA-N 1 2 203.289 2.080 20 30 BEEDLO CC(=O)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000297229948 135195309 /nfs/dbraw/zinc/19/53/09/135195309.db2.gz UAWCUVKXXUBTDV-NSHDSACASA-N 1 2 230.311 2.481 20 30 BEEDLO CC(=O)c1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000297229948 135195311 /nfs/dbraw/zinc/19/53/11/135195311.db2.gz UAWCUVKXXUBTDV-NSHDSACASA-N 1 2 230.311 2.481 20 30 BEEDLO Cc1ncc(CO)c(/C=[NH+]/CC(C)(C)C)c1O ZINC000299175169 135202331 /nfs/dbraw/zinc/20/23/31/135202331.db2.gz WOACFQFHIVRSPO-MKMNVTDBSA-N 1 2 236.315 2.053 20 30 BEEDLO CC(C)n1cc[nH+]c1CN(C)C[C@H](C)C#N ZINC000299558752 135205404 /nfs/dbraw/zinc/20/54/04/135205404.db2.gz DUENZFQALFDLPR-LLVKDONJSA-N 1 2 220.320 2.055 20 30 BEEDLO C=CC[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000121141300 135221108 /nfs/dbraw/zinc/22/11/08/135221108.db2.gz VAFIMXFRDXAGMQ-UHFFFAOYSA-N 1 2 235.312 2.416 20 30 BEEDLO C=CC[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000121141300 135221109 /nfs/dbraw/zinc/22/11/09/135221109.db2.gz VAFIMXFRDXAGMQ-UHFFFAOYSA-N 1 2 235.312 2.416 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000121378458 135224399 /nfs/dbraw/zinc/22/43/99/135224399.db2.gz JGDVJINHRZRDSD-UHFFFAOYSA-N 1 2 235.312 2.416 20 30 BEEDLO C=CC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000121378458 135224400 /nfs/dbraw/zinc/22/44/00/135224400.db2.gz JGDVJINHRZRDSD-UHFFFAOYSA-N 1 2 235.312 2.416 20 30 BEEDLO Cc1c[nH+]c(CNc2ccc(CC#N)cc2)n1C ZINC000341154063 135234638 /nfs/dbraw/zinc/23/46/38/135234638.db2.gz TXSYJUYDLCSVNE-UHFFFAOYSA-N 1 2 240.310 2.407 20 30 BEEDLO C=C1CC[NH+](Cc2nnc(C(C)C)o2)CC1 ZINC000334326141 135353821 /nfs/dbraw/zinc/35/38/21/135353821.db2.gz LBHLYTGYPCSRAM-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO C[C@]1(F)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000334358719 135370926 /nfs/dbraw/zinc/37/09/26/135370926.db2.gz UAUPTCOLRDEWDC-NSHDSACASA-N 1 2 208.236 2.085 20 30 BEEDLO C[C@]1(F)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000334358719 135370928 /nfs/dbraw/zinc/37/09/28/135370928.db2.gz UAUPTCOLRDEWDC-NSHDSACASA-N 1 2 208.236 2.085 20 30 BEEDLO O=C(NCCc1[nH]cc[nH+]1)C1CCSCC1 ZINC000329879833 135393098 /nfs/dbraw/zinc/39/30/98/135393098.db2.gz MUGDKEFTUSFTQA-UHFFFAOYSA-N 1 2 239.344 2.052 20 30 BEEDLO CCN(CC#N)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346136590 135914967 /nfs/dbraw/zinc/91/49/67/135914967.db2.gz HZLSLEINGICMPP-UHFFFAOYSA-N 1 2 246.339 2.279 20 30 BEEDLO CCc1ccc([C@H](COC)[NH2+]CC2(C#N)CC2)o1 ZINC000347843054 136011811 /nfs/dbraw/zinc/01/18/11/136011811.db2.gz IOKOIWALMXNONS-LBPRGKRZSA-N 1 2 248.326 2.423 20 30 BEEDLO CC1(C(N)=O)C[NH+](Cc2cccc(F)c2C#N)C1 ZINC000335393933 136091712 /nfs/dbraw/zinc/09/17/12/136091712.db2.gz FGDQWAQQDWEUMJ-UHFFFAOYSA-N 1 2 247.273 2.055 20 30 BEEDLO N#CC1(F)CC[NH+](Cc2ccco2)CC1 ZINC000348707984 136117087 /nfs/dbraw/zinc/11/70/87/136117087.db2.gz JXDPKMKZFFPNHC-UHFFFAOYSA-N 1 2 208.236 2.107 20 30 BEEDLO C=CC(C)(C)CC(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001646324882 1172729227 /nfs/dbraw/zinc/72/92/27/1172729227.db2.gz DYADGJJFFOHKHF-UHFFFAOYSA-N 1 2 235.331 2.191 20 30 BEEDLO C=CC(C)(C)CC(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001646324882 1172729229 /nfs/dbraw/zinc/72/92/29/1172729229.db2.gz DYADGJJFFOHKHF-UHFFFAOYSA-N 1 2 235.331 2.191 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)CCC(=O)c1ccccc1 ZINC000165508055 397796932 /nfs/dbraw/zinc/79/69/32/397796932.db2.gz BCPAHIJAKYTSSS-GFCCVEGCSA-N 1 2 230.311 2.493 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)CCC(=O)c1ccccc1 ZINC000165508055 397796935 /nfs/dbraw/zinc/79/69/35/397796935.db2.gz BCPAHIJAKYTSSS-GFCCVEGCSA-N 1 2 230.311 2.493 20 30 BEEDLO CCc1noc([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595611833 397992275 /nfs/dbraw/zinc/99/22/75/397992275.db2.gz NWJCAQFWLDXPHY-GHMZBOCLSA-N 1 2 248.330 2.319 20 30 BEEDLO CCc1noc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595611833 397992278 /nfs/dbraw/zinc/99/22/78/397992278.db2.gz NWJCAQFWLDXPHY-GHMZBOCLSA-N 1 2 248.330 2.319 20 30 BEEDLO Cc1nc(C[N@@H+]2CCC[C@H](CC#N)C2)co1 ZINC000595623315 397993611 /nfs/dbraw/zinc/99/36/11/397993611.db2.gz MIPRUUGENMGTTP-LLVKDONJSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1nc(C[N@H+]2CCC[C@H](CC#N)C2)co1 ZINC000595623315 397993614 /nfs/dbraw/zinc/99/36/14/397993614.db2.gz MIPRUUGENMGTTP-LLVKDONJSA-N 1 2 219.288 2.109 20 30 BEEDLO CC[C@H](C#N)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000598264702 398029911 /nfs/dbraw/zinc/02/99/11/398029911.db2.gz ZVVHOJFIGLDQPX-SNVBAGLBSA-N 1 2 242.282 2.131 20 30 BEEDLO C#CC[N@@H+](Cc1ccncc1Cl)C1CC1 ZINC000491229223 398033253 /nfs/dbraw/zinc/03/32/53/398033253.db2.gz FYVFGRLSQLXGQN-UHFFFAOYSA-N 1 2 220.703 2.333 20 30 BEEDLO C#CC[N@H+](Cc1ccncc1Cl)C1CC1 ZINC000491229223 398033255 /nfs/dbraw/zinc/03/32/55/398033255.db2.gz FYVFGRLSQLXGQN-UHFFFAOYSA-N 1 2 220.703 2.333 20 30 BEEDLO CCOc1cncc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000598669823 398035498 /nfs/dbraw/zinc/03/54/98/398035498.db2.gz FPZYYNAWGAFYBN-NSHDSACASA-N 1 2 233.315 2.214 20 30 BEEDLO CCOc1cncc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000598669823 398035503 /nfs/dbraw/zinc/03/55/03/398035503.db2.gz FPZYYNAWGAFYBN-NSHDSACASA-N 1 2 233.315 2.214 20 30 BEEDLO Cc1cccc2c1OCC[C@H]2[NH2+]CCC#N ZINC000517556349 398040139 /nfs/dbraw/zinc/04/01/39/398040139.db2.gz KYJFCQOLMALDOG-GFCCVEGCSA-N 1 2 216.284 2.322 20 30 BEEDLO Cc1ccc(C[NH+]2CC(CC#N)C2)c(F)c1 ZINC000602709470 398078937 /nfs/dbraw/zinc/07/89/37/398078937.db2.gz SAJAVMHLMLVTCR-UHFFFAOYSA-N 1 2 218.275 2.480 20 30 BEEDLO Cc1ccoc1C[N@H+](C)C[C@H](C#N)CCC#N ZINC000292084345 398099690 /nfs/dbraw/zinc/09/96/90/398099690.db2.gz DQLPVUZWSMMLGP-LBPRGKRZSA-N 1 2 231.299 2.463 20 30 BEEDLO Cc1ccoc1C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000292084345 398099693 /nfs/dbraw/zinc/09/96/93/398099693.db2.gz DQLPVUZWSMMLGP-LBPRGKRZSA-N 1 2 231.299 2.463 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000293056281 398111688 /nfs/dbraw/zinc/11/16/88/398111688.db2.gz IEUOEZSTFRVTQB-UHFFFAOYSA-N 1 2 220.316 2.427 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000293056281 398111690 /nfs/dbraw/zinc/11/16/90/398111690.db2.gz IEUOEZSTFRVTQB-UHFFFAOYSA-N 1 2 220.316 2.427 20 30 BEEDLO C#C[C@H](C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001650997092 1172914636 /nfs/dbraw/zinc/91/46/36/1172914636.db2.gz RNVYNRXIRDYEKE-JTQLQIEISA-N 1 2 236.278 2.316 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC001651494164 1172954603 /nfs/dbraw/zinc/95/46/03/1172954603.db2.gz DPWLOADHSUYUAC-SNVBAGLBSA-N 1 2 232.331 2.166 20 30 BEEDLO Cc1c[nH+]c(Nc2c(C#N)cccc2C#N)[nH]1 ZINC001651627412 1172966567 /nfs/dbraw/zinc/96/65/67/1172966567.db2.gz FVYUCKRZKHIUSI-UHFFFAOYSA-N 1 2 223.239 2.205 20 30 BEEDLO CCCn1c[nH+]cc1CN(C)[C@H](C)CC#N ZINC001651830533 1172993361 /nfs/dbraw/zinc/99/33/61/1172993361.db2.gz CBGILNOXWPNTFV-LLVKDONJSA-N 1 2 220.320 2.027 20 30 BEEDLO Cn1cccc1C[N@H+](CCC#N)CC1CC1 ZINC000093091585 410102464 /nfs/dbraw/zinc/10/24/64/410102464.db2.gz HUPBBFCXYSZWJD-UHFFFAOYSA-N 1 2 217.316 2.151 20 30 BEEDLO Cn1cccc1C[N@@H+](CCC#N)CC1CC1 ZINC000093091585 410102469 /nfs/dbraw/zinc/10/24/69/410102469.db2.gz HUPBBFCXYSZWJD-UHFFFAOYSA-N 1 2 217.316 2.151 20 30 BEEDLO C=CC[N@H+](Cc1nc(C)oc1C)[C@@H](C)COC ZINC000661241478 410404538 /nfs/dbraw/zinc/40/45/38/410404538.db2.gz YZGBDOAUEMEVAF-JTQLQIEISA-N 1 2 238.331 2.314 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C)oc1C)[C@@H](C)COC ZINC000661241478 410404542 /nfs/dbraw/zinc/40/45/42/410404542.db2.gz YZGBDOAUEMEVAF-JTQLQIEISA-N 1 2 238.331 2.314 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000192227691 166161386 /nfs/dbraw/zinc/16/13/86/166161386.db2.gz YEXUXTDPWMJSAD-LLVKDONJSA-N 1 2 248.301 2.026 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000192227691 166161388 /nfs/dbraw/zinc/16/13/88/166161388.db2.gz YEXUXTDPWMJSAD-LLVKDONJSA-N 1 2 248.301 2.026 20 30 BEEDLO C#C[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000166418126 166217630 /nfs/dbraw/zinc/21/76/30/166217630.db2.gz JJIUHRQNWXMHGX-QMMMGPOBSA-N 1 2 209.676 2.157 20 30 BEEDLO C=CCCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000279632710 166240815 /nfs/dbraw/zinc/24/08/15/166240815.db2.gz UWSXNMXUXMETDF-UHFFFAOYSA-N 1 2 219.288 2.478 20 30 BEEDLO C=CCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000275892190 166244105 /nfs/dbraw/zinc/24/41/05/166244105.db2.gz SFKIAULKJLPWIH-ZDUSSCGKSA-N 1 2 242.326 2.450 20 30 BEEDLO C=CCCN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000276179108 166253666 /nfs/dbraw/zinc/25/36/66/166253666.db2.gz VEHUMGHUUOMCNW-UHFFFAOYSA-N 1 2 219.288 2.430 20 30 BEEDLO C=CCC[N@H+](C)Cc1csc(NC(C)=O)n1 ZINC000276359891 166260643 /nfs/dbraw/zinc/26/06/43/166260643.db2.gz FTAIZQVALGOZJY-UHFFFAOYSA-N 1 2 239.344 2.109 20 30 BEEDLO C=CCC[N@@H+](C)Cc1csc(NC(C)=O)n1 ZINC000276359891 166260640 /nfs/dbraw/zinc/26/06/40/166260640.db2.gz FTAIZQVALGOZJY-UHFFFAOYSA-N 1 2 239.344 2.109 20 30 BEEDLO C=CCN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000157697282 166319566 /nfs/dbraw/zinc/31/95/66/166319566.db2.gz YVPLLLQSVIIKIO-UHFFFAOYSA-N 1 2 205.261 2.040 20 30 BEEDLO C=CC[N@@H+](CCOC)[C@H](C)c1ncc(C)o1 ZINC000362045000 166342590 /nfs/dbraw/zinc/34/25/90/166342590.db2.gz DXDKAOLCZUDARP-LLVKDONJSA-N 1 2 224.304 2.178 20 30 BEEDLO C=CC[N@H+](CCOC)[C@H](C)c1ncc(C)o1 ZINC000362045000 166342591 /nfs/dbraw/zinc/34/25/91/166342591.db2.gz DXDKAOLCZUDARP-LLVKDONJSA-N 1 2 224.304 2.178 20 30 BEEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(C)no1 ZINC000272286009 166344345 /nfs/dbraw/zinc/34/43/45/166344345.db2.gz NJRZEIZCCFVYEM-UHFFFAOYSA-N 1 2 247.298 2.202 20 30 BEEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(C)no1 ZINC000272286009 166344349 /nfs/dbraw/zinc/34/43/49/166344349.db2.gz NJRZEIZCCFVYEM-UHFFFAOYSA-N 1 2 247.298 2.202 20 30 BEEDLO C=CC[N@H+](Cc1nnc2n1CCCCC2)C1CC1 ZINC000271540584 166349208 /nfs/dbraw/zinc/34/92/08/166349208.db2.gz YXYKFHVJJAMEMG-UHFFFAOYSA-N 1 2 246.358 2.155 20 30 BEEDLO C=CC[N@@H+](Cc1nnc2n1CCCCC2)C1CC1 ZINC000271540584 166349211 /nfs/dbraw/zinc/34/92/11/166349211.db2.gz YXYKFHVJJAMEMG-UHFFFAOYSA-N 1 2 246.358 2.155 20 30 BEEDLO C=CC[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000661384232 410601012 /nfs/dbraw/zinc/60/10/12/410601012.db2.gz HVAUPDFXRJMALT-SNVBAGLBSA-N 1 2 223.345 2.326 20 30 BEEDLO C=CC[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000661384232 410601017 /nfs/dbraw/zinc/60/10/17/410601017.db2.gz HVAUPDFXRJMALT-SNVBAGLBSA-N 1 2 223.345 2.326 20 30 BEEDLO C=CC[N@@H+](Cc1cc(OC)ns1)C1CC1 ZINC000660169461 411277371 /nfs/dbraw/zinc/27/73/71/411277371.db2.gz IIGLTZMZXTXHCA-UHFFFAOYSA-N 1 2 224.329 2.302 20 30 BEEDLO C=CC[N@H+](Cc1cc(OC)ns1)C1CC1 ZINC000660169461 411277376 /nfs/dbraw/zinc/27/73/76/411277376.db2.gz IIGLTZMZXTXHCA-UHFFFAOYSA-N 1 2 224.329 2.302 20 30 BEEDLO C=CCCn1cc(CNc2ccc[nH+]c2C)nn1 ZINC000656768930 411363037 /nfs/dbraw/zinc/36/30/37/411363037.db2.gz PPFXVVNEZPFMKP-UHFFFAOYSA-N 1 2 243.314 2.170 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCC(=O)OCCCC ZINC000292058823 411468840 /nfs/dbraw/zinc/46/88/40/411468840.db2.gz BUPAAXULXQYHQX-UHFFFAOYSA-N 1 2 238.331 2.121 20 30 BEEDLO C=CC[N@H+](CCC#N)CCC(=O)OCCCC ZINC000292058823 411468843 /nfs/dbraw/zinc/46/88/43/411468843.db2.gz BUPAAXULXQYHQX-UHFFFAOYSA-N 1 2 238.331 2.121 20 30 BEEDLO C=CC[C@H]1CCC[N@@H+](Cc2noc(CC)n2)C1 ZINC000661378689 411760790 /nfs/dbraw/zinc/76/07/90/411760790.db2.gz KKQXYMDETRXHSN-NSHDSACASA-N 1 2 235.331 2.420 20 30 BEEDLO C=CC[C@H]1CCC[N@H+](Cc2noc(CC)n2)C1 ZINC000661378689 411760793 /nfs/dbraw/zinc/76/07/93/411760793.db2.gz KKQXYMDETRXHSN-NSHDSACASA-N 1 2 235.331 2.420 20 30 BEEDLO C=CCOCCCNc1cc(CC)[nH+]cn1 ZINC000664385817 411936654 /nfs/dbraw/zinc/93/66/54/411936654.db2.gz KUBSWOPALVJOOK-UHFFFAOYSA-N 1 2 221.304 2.044 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c(C)n1 ZINC000664571405 411989431 /nfs/dbraw/zinc/98/94/31/411989431.db2.gz GLHXBRDITJKNKM-TXEJJXNPSA-N 1 2 215.300 2.472 20 30 BEEDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000120450710 171106167 /nfs/dbraw/zinc/10/61/67/171106167.db2.gz OIZBBICPWQOZHN-SNVBAGLBSA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(C#N)s1 ZINC000120450710 171106170 /nfs/dbraw/zinc/10/61/70/171106170.db2.gz OIZBBICPWQOZHN-SNVBAGLBSA-N 1 2 236.340 2.231 20 30 BEEDLO CCn1cc[nH+]c1CNc1snc(C)c1C#N ZINC000295093636 172226774 /nfs/dbraw/zinc/22/67/74/172226774.db2.gz ZNNVBAGYCYRHQZ-UHFFFAOYSA-N 1 2 247.327 2.152 20 30 BEEDLO CC#CCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662225795 487626566 /nfs/dbraw/zinc/62/65/66/487626566.db2.gz ALHNSSTZXPWWPT-SNVBAGLBSA-N 1 2 235.249 2.053 20 30 BEEDLO CC#CCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662225795 487626577 /nfs/dbraw/zinc/62/65/77/487626577.db2.gz ALHNSSTZXPWWPT-SNVBAGLBSA-N 1 2 235.249 2.053 20 30 BEEDLO COc1cc[nH+]cc1NCc1nc(C#N)cs1 ZINC000352804293 175376104 /nfs/dbraw/zinc/37/61/04/175376104.db2.gz WGIQUFWBYOCIIR-UHFFFAOYSA-N 1 2 246.295 2.030 20 30 BEEDLO C[C@@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000082687932 176074013 /nfs/dbraw/zinc/07/40/13/176074013.db2.gz UVQVVZCMXWWHTC-SECBINFHSA-N 1 2 221.329 2.389 20 30 BEEDLO C[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000082687932 176074014 /nfs/dbraw/zinc/07/40/14/176074014.db2.gz UVQVVZCMXWWHTC-SECBINFHSA-N 1 2 221.329 2.389 20 30 BEEDLO C[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000082687998 176101877 /nfs/dbraw/zinc/10/18/77/176101877.db2.gz PGKZCEUHDAGLTI-SECBINFHSA-N 1 2 221.329 2.247 20 30 BEEDLO C[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000082687998 176101879 /nfs/dbraw/zinc/10/18/79/176101879.db2.gz PGKZCEUHDAGLTI-SECBINFHSA-N 1 2 221.329 2.247 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CCCO1 ZINC000177296826 176301398 /nfs/dbraw/zinc/30/13/98/176301398.db2.gz UGKPNCBTASGQQK-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CCCO1 ZINC000177296826 176301399 /nfs/dbraw/zinc/30/13/99/176301399.db2.gz UGKPNCBTASGQQK-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@@H](C)O1 ZINC000160462606 176305124 /nfs/dbraw/zinc/30/51/24/176305124.db2.gz UHNQKPOFNUKMEV-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H](C2CC2)O1 ZINC000280538642 177262710 /nfs/dbraw/zinc/26/27/10/177262710.db2.gz JBNGMOXCOHATGM-IINYFYTJSA-N 1 2 246.310 2.151 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)C[C@H](C2CC2)O1 ZINC000280538642 177262712 /nfs/dbraw/zinc/26/27/12/177262712.db2.gz JBNGMOXCOHATGM-IINYFYTJSA-N 1 2 246.310 2.151 20 30 BEEDLO C[C@H]1C[C@@H]1C[N@H+](CCC#N)Cc1cccnc1 ZINC000488336569 225377401 /nfs/dbraw/zinc/37/74/01/225377401.db2.gz ZOQKQJXLOJKJER-GXTWGEPZSA-N 1 2 229.327 2.453 20 30 BEEDLO C[C@H]1C[C@@H]1C[N@@H+](CCC#N)Cc1cccnc1 ZINC000488336569 225377406 /nfs/dbraw/zinc/37/74/06/225377406.db2.gz ZOQKQJXLOJKJER-GXTWGEPZSA-N 1 2 229.327 2.453 20 30 BEEDLO Cc1cc(C[N@H+](C)CCC#N)ccc1C#N ZINC000488236222 225355315 /nfs/dbraw/zinc/35/53/15/225355315.db2.gz WKXJNXAHIKEDRD-UHFFFAOYSA-N 1 2 213.284 2.212 20 30 BEEDLO Cc1cc(C[N@@H+](C)CCC#N)ccc1C#N ZINC000488236222 225355318 /nfs/dbraw/zinc/35/53/18/225355318.db2.gz WKXJNXAHIKEDRD-UHFFFAOYSA-N 1 2 213.284 2.212 20 30 BEEDLO CC#CCC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000680884704 487668766 /nfs/dbraw/zinc/66/87/66/487668766.db2.gz PBVVSHCMCUXMSB-ZJUUUORDSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CCC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000680884704 487668772 /nfs/dbraw/zinc/66/87/72/487668772.db2.gz PBVVSHCMCUXMSB-ZJUUUORDSA-N 1 2 235.249 2.051 20 30 BEEDLO CC[C@H]1CN(c2cc(C)[nH+]cc2C#N)CCCO1 ZINC000399466488 262784263 /nfs/dbraw/zinc/78/42/63/262784263.db2.gz XHPXAEZDRLCDDC-ZDUSSCGKSA-N 1 2 245.326 2.267 20 30 BEEDLO C=CCCCNc1cc(C)[nH+]cc1C#N ZINC000399519511 262837448 /nfs/dbraw/zinc/83/74/48/262837448.db2.gz ODXQZMJDJFAZEV-UHFFFAOYSA-N 1 2 201.273 2.062 20 30 BEEDLO CC#CCC[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671715680 487704079 /nfs/dbraw/zinc/70/40/79/487704079.db2.gz SSGBDMZFNGGPDM-VHSXEESVSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CCC[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671715680 487704085 /nfs/dbraw/zinc/70/40/85/487704085.db2.gz SSGBDMZFNGGPDM-VHSXEESVSA-N 1 2 235.249 2.051 20 30 BEEDLO CC(C)=CCCNc1cc(C)[nH+]cc1C#N ZINC000399459062 265776688 /nfs/dbraw/zinc/77/66/88/265776688.db2.gz UOZVBRFTJJATMI-UHFFFAOYSA-N 1 2 215.300 2.452 20 30 BEEDLO C=C(Br)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201873 585099474 /nfs/dbraw/zinc/09/94/74/585099474.db2.gz UIAHRLIUFPATBG-YUMQZZPRSA-N 1 2 234.162 2.085 20 30 BEEDLO C=C(Br)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201873 585099475 /nfs/dbraw/zinc/09/94/75/585099475.db2.gz UIAHRLIUFPATBG-YUMQZZPRSA-N 1 2 234.162 2.085 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000790429833 585964740 /nfs/dbraw/zinc/96/47/40/585964740.db2.gz GHRWMRKGODINFO-JTQLQIEISA-N 1 2 217.740 2.486 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000790429833 585964741 /nfs/dbraw/zinc/96/47/41/585964741.db2.gz GHRWMRKGODINFO-JTQLQIEISA-N 1 2 217.740 2.486 20 30 BEEDLO CC[N@H+](C/C=C/c1ccncc1)CCC#N ZINC000495094312 527872082 /nfs/dbraw/zinc/87/20/82/527872082.db2.gz PPNLOVOTTZCFJH-HWKANZROSA-N 1 2 215.300 2.330 20 30 BEEDLO C[C@@H](CF)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877548835 590353876 /nfs/dbraw/zinc/35/38/76/590353876.db2.gz SXWUMAFTLGZKEP-ZETCQYMHSA-N 1 2 227.670 2.054 20 30 BEEDLO N#CCCOCC[N@@H+](CC(F)F)C1CCC1 ZINC000887102142 592443673 /nfs/dbraw/zinc/44/36/73/592443673.db2.gz DPJCUYQJNSOMFD-UHFFFAOYSA-N 1 2 232.274 2.036 20 30 BEEDLO N#CCCOCC[N@H+](CC(F)F)C1CCC1 ZINC000887102142 592443677 /nfs/dbraw/zinc/44/36/77/592443677.db2.gz DPJCUYQJNSOMFD-UHFFFAOYSA-N 1 2 232.274 2.036 20 30 BEEDLO CC(C)c1noc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595610394 487872937 /nfs/dbraw/zinc/87/29/37/487872937.db2.gz XTMNJPSXIMEFLE-LLVKDONJSA-N 1 2 248.330 2.319 20 30 BEEDLO CC(C)c1noc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595610394 487872941 /nfs/dbraw/zinc/87/29/41/487872941.db2.gz XTMNJPSXIMEFLE-LLVKDONJSA-N 1 2 248.330 2.319 20 30 BEEDLO N#CC[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000595610196 487873035 /nfs/dbraw/zinc/87/30/35/487873035.db2.gz SZUHKGHOTIIGKG-JTQLQIEISA-N 1 2 246.314 2.073 20 30 BEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000595610196 487873042 /nfs/dbraw/zinc/87/30/42/487873042.db2.gz SZUHKGHOTIIGKG-JTQLQIEISA-N 1 2 246.314 2.073 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000306332081 643316443 /nfs/dbraw/zinc/31/64/43/643316443.db2.gz DJTHYADQJHSZJV-IVZWLZJFSA-N 1 2 203.713 2.237 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000306332081 643316449 /nfs/dbraw/zinc/31/64/49/643316449.db2.gz DJTHYADQJHSZJV-IVZWLZJFSA-N 1 2 203.713 2.237 20 30 BEEDLO C#CC[N@@H+](Cc1nc(CCC)no1)C1CCCC1 ZINC000155896372 323002754 /nfs/dbraw/zinc/00/27/54/323002754.db2.gz ZOXAOBBOXPBIQU-UHFFFAOYSA-N 1 2 247.342 2.400 20 30 BEEDLO C#CC[N@H+](Cc1nc(CCC)no1)C1CCCC1 ZINC000155896372 323002755 /nfs/dbraw/zinc/00/27/55/323002755.db2.gz ZOXAOBBOXPBIQU-UHFFFAOYSA-N 1 2 247.342 2.400 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000563284764 323108408 /nfs/dbraw/zinc/10/84/08/323108408.db2.gz JFNJLLNZLKTTLD-JTQLQIEISA-N 1 2 235.331 2.363 20 30 BEEDLO C=CC[C@@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000535059288 323164805 /nfs/dbraw/zinc/16/48/05/323164805.db2.gz BYHRVFOOPDWPOS-SNVBAGLBSA-N 1 2 233.315 2.206 20 30 BEEDLO C=CCN(CC=C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535773123 323190834 /nfs/dbraw/zinc/19/08/34/323190834.db2.gz RXBIRDQHESOORS-UHFFFAOYSA-N 1 2 245.326 2.326 20 30 BEEDLO CC1(C)CCC[C@@H](C[N@@H+]2CCO[C@@H](C#N)C2)C1 ZINC000535834020 323193146 /nfs/dbraw/zinc/19/31/46/323193146.db2.gz VVAKVLBIWWZONQ-OLZOCXBDSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCC[C@@H](C[N@H+]2CCO[C@@H](C#N)C2)C1 ZINC000535834020 323193147 /nfs/dbraw/zinc/19/31/47/323193147.db2.gz VVAKVLBIWWZONQ-OLZOCXBDSA-N 1 2 236.359 2.427 20 30 BEEDLO C=CCCO[C@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536575599 323198063 /nfs/dbraw/zinc/19/80/63/323198063.db2.gz XAIYNRWHQMJFDK-GFCCVEGCSA-N 1 2 248.326 2.040 20 30 BEEDLO CC#CC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000076148194 487958982 /nfs/dbraw/zinc/95/89/82/487958982.db2.gz IJYUQPRKLUJSNO-UKRRQHHQSA-N 1 2 229.323 2.472 20 30 BEEDLO CC#CC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000076148194 487958984 /nfs/dbraw/zinc/95/89/84/487958984.db2.gz IJYUQPRKLUJSNO-UKRRQHHQSA-N 1 2 229.323 2.472 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000059639077 324016385 /nfs/dbraw/zinc/01/63/85/324016385.db2.gz MSZWSLJSBYYPBQ-JTQLQIEISA-N 1 2 233.271 2.329 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000059639077 324016388 /nfs/dbraw/zinc/01/63/88/324016388.db2.gz MSZWSLJSBYYPBQ-JTQLQIEISA-N 1 2 233.271 2.329 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccc(F)cn2)CCC1 ZINC000529610494 324363921 /nfs/dbraw/zinc/36/39/21/324363921.db2.gz GENQWJXAVLMBPG-UHFFFAOYSA-N 1 2 219.263 2.004 20 30 BEEDLO CC(C)N(CCC#N)Cc1cccc2[nH+]ccn21 ZINC000538307988 324668502 /nfs/dbraw/zinc/66/85/02/324668502.db2.gz NBZRDKZZUIPRDR-UHFFFAOYSA-N 1 2 242.326 2.458 20 30 BEEDLO C=CCCCN(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000076487618 325346299 /nfs/dbraw/zinc/34/62/99/325346299.db2.gz NLUDPDMWNMESIB-UHFFFAOYSA-N 1 2 243.310 2.373 20 30 BEEDLO CCn1nc(C[NH2+]C[C@H](C)C#N)c2ccccc21 ZINC000547449031 325355986 /nfs/dbraw/zinc/35/59/86/325355986.db2.gz OKYUJVRCXIPUAT-LLVKDONJSA-N 1 2 242.326 2.305 20 30 BEEDLO CCn1nc(C[NH2+]C[C@@H](C)C#N)c2ccccc21 ZINC000547449032 325356170 /nfs/dbraw/zinc/35/61/70/325356170.db2.gz OKYUJVRCXIPUAT-NSHDSACASA-N 1 2 242.326 2.305 20 30 BEEDLO CC(C)(C)c1ncc(C[NH2+]CC2(C#N)CC2)cn1 ZINC000551823651 325571024 /nfs/dbraw/zinc/57/10/24/325571024.db2.gz NWSZWCHOWDHGLE-UHFFFAOYSA-N 1 2 244.342 2.167 20 30 BEEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C ZINC000566428820 326045764 /nfs/dbraw/zinc/04/57/64/326045764.db2.gz KYGIWTJGFDTBTI-GFCCVEGCSA-N 1 2 245.326 2.215 20 30 BEEDLO Cc1ccnc([C@H]2CC[N@H+](CCC#N)C2)c1 ZINC000568181862 326321992 /nfs/dbraw/zinc/32/19/92/326321992.db2.gz BKQBYTMMMCAUGV-LBPRGKRZSA-N 1 2 215.300 2.093 20 30 BEEDLO Cc1ccnc([C@H]2CC[N@@H+](CCC#N)C2)c1 ZINC000568181862 326321994 /nfs/dbraw/zinc/32/19/94/326321994.db2.gz BKQBYTMMMCAUGV-LBPRGKRZSA-N 1 2 215.300 2.093 20 30 BEEDLO C=CCC(C)(C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000293256073 488012077 /nfs/dbraw/zinc/01/20/77/488012077.db2.gz VBXREKSPXUQTHJ-LBPRGKRZSA-N 1 2 249.358 2.238 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc2c(n1)CCC2 ZINC000491703992 488037520 /nfs/dbraw/zinc/03/75/20/488037520.db2.gz OCVHUDXSTVHFED-UHFFFAOYSA-N 1 2 238.334 2.029 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc2c(n1)CCC2 ZINC000491703992 488037525 /nfs/dbraw/zinc/03/75/25/488037525.db2.gz OCVHUDXSTVHFED-UHFFFAOYSA-N 1 2 238.334 2.029 20 30 BEEDLO C=CC[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000668010970 488184047 /nfs/dbraw/zinc/18/40/47/488184047.db2.gz ONRZECXZGUPOIA-UHFFFAOYSA-N 1 2 233.237 2.057 20 30 BEEDLO C=CC[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000668010970 488184053 /nfs/dbraw/zinc/18/40/53/488184053.db2.gz ONRZECXZGUPOIA-UHFFFAOYSA-N 1 2 233.237 2.057 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc(CC)no1 ZINC000683793209 488224261 /nfs/dbraw/zinc/22/42/61/488224261.db2.gz UPRODSNPDFEMAJ-JTQLQIEISA-N 1 2 221.304 2.173 20 30 BEEDLO C#C[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000491793170 490119633 /nfs/dbraw/zinc/11/96/33/490119633.db2.gz JPAZHABEBMUGRZ-SNVBAGLBSA-N 1 2 215.300 2.120 20 30 BEEDLO C#CC[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000192238428 491121017 /nfs/dbraw/zinc/12/10/17/491121017.db2.gz BHTODKBZTLRJBP-UHFFFAOYSA-N 1 2 232.308 2.468 20 30 BEEDLO C#CC[N@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000192238428 491121018 /nfs/dbraw/zinc/12/10/18/491121018.db2.gz BHTODKBZTLRJBP-UHFFFAOYSA-N 1 2 232.308 2.468 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cn(C)nc1C1CC1 ZINC000891579462 582699018 /nfs/dbraw/zinc/69/90/18/582699018.db2.gz ZJKKMCWEBNPHMI-UHFFFAOYSA-N 1 2 232.331 2.033 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cn(C)nc1C1CC1 ZINC000891579462 582699019 /nfs/dbraw/zinc/69/90/19/582699019.db2.gz ZJKKMCWEBNPHMI-UHFFFAOYSA-N 1 2 232.331 2.033 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccnn1C(C)C ZINC000280076248 536058034 /nfs/dbraw/zinc/05/80/34/536058034.db2.gz ZMXSTQJCMHOLQL-LLVKDONJSA-N 1 2 220.320 2.246 20 30 BEEDLO C=CC[C@H](CO)CNc1ccc2ccccc2[nH+]1 ZINC000340906580 534383407 /nfs/dbraw/zinc/38/34/07/534383407.db2.gz ZUWKJQKQGGRLFA-LBPRGKRZSA-N 1 2 242.322 2.253 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000368756720 534436580 /nfs/dbraw/zinc/43/65/80/534436580.db2.gz VLHJFKYZNNSRAW-NSHDSACASA-N 1 2 237.734 2.409 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000368756720 534436588 /nfs/dbraw/zinc/43/65/88/534436588.db2.gz VLHJFKYZNNSRAW-NSHDSACASA-N 1 2 237.734 2.409 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000369135193 534442351 /nfs/dbraw/zinc/44/23/51/534442351.db2.gz TWUMAWUVHPYLOC-NSHDSACASA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000369135193 534442358 /nfs/dbraw/zinc/44/23/58/534442358.db2.gz TWUMAWUVHPYLOC-NSHDSACASA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000366567323 534443168 /nfs/dbraw/zinc/44/31/68/534443168.db2.gz CEXISCQJOBTUNS-NEPJUHHUSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000366567323 534443173 /nfs/dbraw/zinc/44/31/73/534443173.db2.gz CEXISCQJOBTUNS-NEPJUHHUSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)Nc1cc[nH+]cc1C ZINC000335389014 534546812 /nfs/dbraw/zinc/54/68/12/534546812.db2.gz KZIZHKHRLVDWCQ-GFCCVEGCSA-N 1 2 245.326 2.384 20 30 BEEDLO C=CCC(CC=C)C(=O)NCCCn1cc[nH+]c1 ZINC000120925150 534564728 /nfs/dbraw/zinc/56/47/28/534564728.db2.gz VSSDKBBDEJBFTI-UHFFFAOYSA-N 1 2 247.342 2.158 20 30 BEEDLO C=CCOCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000339153601 534878084 /nfs/dbraw/zinc/87/80/84/534878084.db2.gz BFTDPJVIFDDLJO-SNVBAGLBSA-N 1 2 219.275 2.309 20 30 BEEDLO C=CCOCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000339153601 534878086 /nfs/dbraw/zinc/87/80/86/534878086.db2.gz BFTDPJVIFDDLJO-SNVBAGLBSA-N 1 2 219.275 2.309 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc2ccccc2[nH]1 ZINC000491268206 526896961 /nfs/dbraw/zinc/89/69/61/526896961.db2.gz YHMPGBCMNURPJN-UHFFFAOYSA-N 1 2 213.284 2.018 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc2ccccc2[nH]1 ZINC000491268206 526896965 /nfs/dbraw/zinc/89/69/65/526896965.db2.gz YHMPGBCMNURPJN-UHFFFAOYSA-N 1 2 213.284 2.018 20 30 BEEDLO C=CCCCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493477774 527136134 /nfs/dbraw/zinc/13/61/34/527136134.db2.gz GSTAOGGZGNNHEP-BQYQJAHWSA-N 1 2 233.315 2.286 20 30 BEEDLO C=CCN(CC=C)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492254026 527598433 /nfs/dbraw/zinc/59/84/33/527598433.db2.gz VJAAPDOGXYBYKB-FPLPWBNLSA-N 1 2 245.326 2.117 20 30 BEEDLO CC[N@@H+](C/C=C\c1ccncc1)CCC#N ZINC000495094313 527872036 /nfs/dbraw/zinc/87/20/36/527872036.db2.gz PPNLOVOTTZCFJH-HYXAFXHYSA-N 1 2 215.300 2.330 20 30 BEEDLO CC[N@H+](C/C=C\c1ccncc1)CCC#N ZINC000495094313 527872041 /nfs/dbraw/zinc/87/20/41/527872041.db2.gz PPNLOVOTTZCFJH-HYXAFXHYSA-N 1 2 215.300 2.330 20 30 BEEDLO CC[N@@H+](C/C=C/c1ccncc1)CCC#N ZINC000495094312 527872078 /nfs/dbraw/zinc/87/20/78/527872078.db2.gz PPNLOVOTTZCFJH-HWKANZROSA-N 1 2 215.300 2.330 20 30 BEEDLO CO[C@@H](Cc1ccccc1)C[N@H+](C)CCC#N ZINC000295137435 536522723 /nfs/dbraw/zinc/52/27/23/536522723.db2.gz ZBEQVPFOXYUJRN-AWEZNQCLSA-N 1 2 232.327 2.090 20 30 BEEDLO CO[C@@H](Cc1ccccc1)C[N@@H+](C)CCC#N ZINC000295137435 536522729 /nfs/dbraw/zinc/52/27/29/536522729.db2.gz ZBEQVPFOXYUJRN-AWEZNQCLSA-N 1 2 232.327 2.090 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(SC)o1 ZINC000894035278 583279374 /nfs/dbraw/zinc/27/93/74/583279374.db2.gz XOCGJUDPYMITEX-UHFFFAOYSA-N 1 2 233.336 2.460 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(SC)o1 ZINC000894035278 583279377 /nfs/dbraw/zinc/27/93/77/583279377.db2.gz XOCGJUDPYMITEX-UHFFFAOYSA-N 1 2 233.336 2.460 20 30 BEEDLO C=CCCn1nc(C)c([C@@H]2COCC[N@H+]2C)c1C ZINC000852963234 588714675 /nfs/dbraw/zinc/71/46/75/588714675.db2.gz PXCIBLPYVPGBLV-ZDUSSCGKSA-N 1 2 249.358 2.079 20 30 BEEDLO C=CCCn1nc(C)c([C@@H]2COCC[N@@H+]2C)c1C ZINC000852963234 588714676 /nfs/dbraw/zinc/71/46/76/588714676.db2.gz PXCIBLPYVPGBLV-ZDUSSCGKSA-N 1 2 249.358 2.079 20 30 BEEDLO CC1(C)OCC[C@@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000852998618 588715001 /nfs/dbraw/zinc/71/50/01/588715001.db2.gz PWPGPMNWXLGURX-OXFWXOROSA-N 1 2 249.310 2.332 20 30 BEEDLO Cc1[nH+]cc(C=NN[C@H](C)C(C)(C)C)n1C ZINC000853349501 588736596 /nfs/dbraw/zinc/73/65/96/588736596.db2.gz ACPWCYPRAJWKOL-SECBINFHSA-N 1 2 222.336 2.087 20 30 BEEDLO C#Cc1cccnc1NCCCCn1cc[nH+]c1 ZINC000853468489 588744760 /nfs/dbraw/zinc/74/47/60/588744760.db2.gz WFIRBAWXSUXDJT-UHFFFAOYSA-N 1 2 240.310 2.152 20 30 BEEDLO C=CC[N@H+](Cn1cc(Cl)cn1)[C@H](C)COC ZINC000853532541 588747872 /nfs/dbraw/zinc/74/78/72/588747872.db2.gz GNENDMALHDEAHL-SNVBAGLBSA-N 1 2 243.738 2.017 20 30 BEEDLO C=CC[N@@H+](Cn1cc(Cl)cn1)[C@H](C)COC ZINC000853532541 588747873 /nfs/dbraw/zinc/74/78/73/588747873.db2.gz GNENDMALHDEAHL-SNVBAGLBSA-N 1 2 243.738 2.017 20 30 BEEDLO C=C(Cl)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000853656449 588752880 /nfs/dbraw/zinc/75/28/80/588752880.db2.gz OJNVEAKLWVSPAW-UHFFFAOYSA-N 1 2 245.735 2.245 20 30 BEEDLO C=C1CCC(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000885652452 588771592 /nfs/dbraw/zinc/77/15/92/588771592.db2.gz XMIMYJQQCLLLTM-UHFFFAOYSA-N 1 2 234.299 2.173 20 30 BEEDLO C#CC[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000854039388 588772327 /nfs/dbraw/zinc/77/23/27/588772327.db2.gz ILOJEJPTVMBLLM-LBPRGKRZSA-N 1 2 200.285 2.098 20 30 BEEDLO C#CC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000854039388 588772328 /nfs/dbraw/zinc/77/23/28/588772328.db2.gz ILOJEJPTVMBLLM-LBPRGKRZSA-N 1 2 200.285 2.098 20 30 BEEDLO CC[NH2+]Cc1noc(CC2(C#N)CCCCC2)n1 ZINC000854131880 588775938 /nfs/dbraw/zinc/77/59/38/588775938.db2.gz ARTYDQRXQQEXJT-UHFFFAOYSA-N 1 2 248.330 2.196 20 30 BEEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000855174951 588825460 /nfs/dbraw/zinc/82/54/60/588825460.db2.gz YMHHIYJJRUYBAQ-VXGBXAGGSA-N 1 2 247.342 2.203 20 30 BEEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000855174949 588825470 /nfs/dbraw/zinc/82/54/70/588825470.db2.gz YMHHIYJJRUYBAQ-NWDGAFQWSA-N 1 2 247.342 2.203 20 30 BEEDLO C=C1CCC(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000891257536 582642348 /nfs/dbraw/zinc/64/23/48/582642348.db2.gz RAQRCKNQTKXWLV-GFCCVEGCSA-N 1 2 245.326 2.191 20 30 BEEDLO C=C1CCC(C(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000891257538 582642544 /nfs/dbraw/zinc/64/25/44/582642544.db2.gz RAQRCKNQTKXWLV-LBPRGKRZSA-N 1 2 245.326 2.191 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnc(F)cc1C ZINC000891577937 582698229 /nfs/dbraw/zinc/69/82/29/582698229.db2.gz HKKQAGBPBIWHMB-UHFFFAOYSA-N 1 2 221.279 2.265 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnc(F)cc1C ZINC000891577937 582698230 /nfs/dbraw/zinc/69/82/30/582698230.db2.gz HKKQAGBPBIWHMB-UHFFFAOYSA-N 1 2 221.279 2.265 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc2c1OCC2 ZINC000891579221 582698953 /nfs/dbraw/zinc/69/89/53/582698953.db2.gz ULKALDRXBGCQHV-UHFFFAOYSA-N 1 2 230.311 2.357 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc2c1OCC2 ZINC000891579221 582698954 /nfs/dbraw/zinc/69/89/54/582698954.db2.gz ULKALDRXBGCQHV-UHFFFAOYSA-N 1 2 230.311 2.357 20 30 BEEDLO CCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)o1 ZINC000891715615 582713053 /nfs/dbraw/zinc/71/30/53/582713053.db2.gz GKPPSVZSAHDPSX-JTQLQIEISA-N 1 2 222.288 2.270 20 30 BEEDLO CCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)o1 ZINC000891715615 582713055 /nfs/dbraw/zinc/71/30/55/582713055.db2.gz GKPPSVZSAHDPSX-JTQLQIEISA-N 1 2 222.288 2.270 20 30 BEEDLO CC[N@@H+](Cc1ccc(OC)o1)C[C@@H](C)C#N ZINC000891715855 582713240 /nfs/dbraw/zinc/71/32/40/582713240.db2.gz IXBPDIYGJCYLEX-JTQLQIEISA-N 1 2 222.288 2.270 20 30 BEEDLO CC[N@H+](Cc1ccc(OC)o1)C[C@@H](C)C#N ZINC000891715855 582713243 /nfs/dbraw/zinc/71/32/43/582713243.db2.gz IXBPDIYGJCYLEX-JTQLQIEISA-N 1 2 222.288 2.270 20 30 BEEDLO COC1CCC(C[N@H+](CC#N)C2CC2)CC1 ZINC000891795107 582722525 /nfs/dbraw/zinc/72/25/25/582722525.db2.gz ARORBNMDXKQLHI-UHFFFAOYSA-N 1 2 222.332 2.180 20 30 BEEDLO COC1CCC(C[N@@H+](CC#N)C2CC2)CC1 ZINC000891795107 582722530 /nfs/dbraw/zinc/72/25/30/582722530.db2.gz ARORBNMDXKQLHI-UHFFFAOYSA-N 1 2 222.332 2.180 20 30 BEEDLO N#Cc1cc(C[N@@H+]2CCOCC23CCC3)cs1 ZINC000892068611 582784181 /nfs/dbraw/zinc/78/41/81/582784181.db2.gz QLIOYLCNQJGUTG-UHFFFAOYSA-N 1 2 248.351 2.375 20 30 BEEDLO N#Cc1cc(C[N@H+]2CCOCC23CCC3)cs1 ZINC000892068611 582784182 /nfs/dbraw/zinc/78/41/82/582784182.db2.gz QLIOYLCNQJGUTG-UHFFFAOYSA-N 1 2 248.351 2.375 20 30 BEEDLO Cc1cccn2c(NC(=O)C#CC(C)C)c[nH+]c12 ZINC000855902817 588853242 /nfs/dbraw/zinc/85/32/42/588853242.db2.gz MSLSZNQYSQJNJJ-UHFFFAOYSA-N 1 2 241.294 2.241 20 30 BEEDLO C#CCCNc1cc(CC)[nH+]c(CC)n1 ZINC000892526401 582906434 /nfs/dbraw/zinc/90/64/34/582906434.db2.gz JRKNHMUIJFCLPD-UHFFFAOYSA-N 1 2 203.289 2.037 20 30 BEEDLO C#CCOCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893145575 583056757 /nfs/dbraw/zinc/05/67/57/583056757.db2.gz ZMXWQJNLNWCKET-UHFFFAOYSA-N 1 2 245.326 2.114 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1ccc(OC)o1 ZINC000893351074 583118862 /nfs/dbraw/zinc/11/88/62/583118862.db2.gz ONIBESWHYWHXAG-UHFFFAOYSA-N 1 2 201.653 2.130 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1ccnn1C1CCC1 ZINC000893993086 583267386 /nfs/dbraw/zinc/26/73/86/583267386.db2.gz RCFMTAJMSJXILQ-UHFFFAOYSA-N 1 2 249.358 2.243 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1ccnn1C1CCC1 ZINC000893993086 583267388 /nfs/dbraw/zinc/26/73/88/583267388.db2.gz RCFMTAJMSJXILQ-UHFFFAOYSA-N 1 2 249.358 2.243 20 30 BEEDLO CC(C)c1c[nH]c(CN(C)[C@@H](C)CC#N)[nH+]1 ZINC000894002644 583272170 /nfs/dbraw/zinc/27/21/70/583272170.db2.gz UOEOBBXWXYFBCM-JTQLQIEISA-N 1 2 220.320 2.267 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1c(Cl)n[nH]c1C1CC1 ZINC000894060740 583292428 /nfs/dbraw/zinc/29/24/28/583292428.db2.gz XJLMFEVUZLVDMN-MRVPVSSYSA-N 1 2 237.734 2.394 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(Cl)n[nH]c1C1CC1 ZINC000894060740 583292431 /nfs/dbraw/zinc/29/24/31/583292431.db2.gz XJLMFEVUZLVDMN-MRVPVSSYSA-N 1 2 237.734 2.394 20 30 BEEDLO COc1cccc(/C=[NH+]/CC[C@H](C)OC)c1O ZINC000726429852 583353428 /nfs/dbraw/zinc/35/34/28/583353428.db2.gz SBLIAVSWQZQJPS-RSYJBZMQSA-N 1 2 237.299 2.245 20 30 BEEDLO C#CC[C@H]1CCCN(c2cccc([C@@H](C)O)[nH+]2)C1 ZINC000894348634 583432078 /nfs/dbraw/zinc/43/20/78/583432078.db2.gz DPTRRBORDVCRFG-OLZOCXBDSA-N 1 2 244.338 2.375 20 30 BEEDLO Cc1ncoc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000894446288 583460557 /nfs/dbraw/zinc/46/05/57/583460557.db2.gz USXTZXODKXBPAN-LBPRGKRZSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1ncoc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000894446288 583460559 /nfs/dbraw/zinc/46/05/59/583460559.db2.gz USXTZXODKXBPAN-LBPRGKRZSA-N 1 2 219.288 2.109 20 30 BEEDLO C=CC[C@@H]1CCCN(c2cc(NC)[nH+]cn2)C1 ZINC000894523554 583477735 /nfs/dbraw/zinc/47/77/35/583477735.db2.gz ZNEZHBMIJTTYBW-LLVKDONJSA-N 1 2 232.331 2.311 20 30 BEEDLO C=CC[C@@H]1CCCN(c2cc(NC)nc[nH+]2)C1 ZINC000894523554 583477737 /nfs/dbraw/zinc/47/77/37/583477737.db2.gz ZNEZHBMIJTTYBW-LLVKDONJSA-N 1 2 232.331 2.311 20 30 BEEDLO C=C[C@H](CO)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000894624260 583496521 /nfs/dbraw/zinc/49/65/21/583496521.db2.gz NMBDVQWVZCZDMX-LLVKDONJSA-N 1 2 233.315 2.011 20 30 BEEDLO C=C(C)C[C@H](CO)Nc1cc(CC)[nH+]c(CC)n1 ZINC000895171704 583612799 /nfs/dbraw/zinc/61/27/99/583612799.db2.gz FSLTZKIPQRSZGO-GFCCVEGCSA-N 1 2 249.358 2.340 20 30 BEEDLO CSc1ccc(C[NH+]2CC(CC#N)C2)o1 ZINC000895255033 583634357 /nfs/dbraw/zinc/63/43/57/583634357.db2.gz YMIZKOJNMMSKPI-UHFFFAOYSA-N 1 2 222.313 2.347 20 30 BEEDLO Cc1cnc(Cl)c(C[NH+]2CC(CC#N)C2)c1 ZINC000895344945 583655041 /nfs/dbraw/zinc/65/50/41/583655041.db2.gz UKSZQXKVYGDALR-UHFFFAOYSA-N 1 2 235.718 2.389 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895450563 583675641 /nfs/dbraw/zinc/67/56/41/583675641.db2.gz KNJIOEARXQBFTD-CQSZACIVSA-N 1 2 244.342 2.344 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895450563 583675644 /nfs/dbraw/zinc/67/56/44/583675644.db2.gz KNJIOEARXQBFTD-CQSZACIVSA-N 1 2 244.342 2.344 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccnn2C2CCC2)C1 ZINC000895450721 583676345 /nfs/dbraw/zinc/67/63/45/583676345.db2.gz MBQNIVSRTUUNIG-AWEZNQCLSA-N 1 2 244.342 2.344 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccnn2C2CCC2)C1 ZINC000895450721 583676346 /nfs/dbraw/zinc/67/63/46/583676346.db2.gz MBQNIVSRTUUNIG-AWEZNQCLSA-N 1 2 244.342 2.344 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cn3ccnc3s2)C1 ZINC000895450774 583676607 /nfs/dbraw/zinc/67/66/07/583676607.db2.gz NEIGTZLUILCGNZ-GFCCVEGCSA-N 1 2 246.339 2.131 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cn3ccnc3s2)C1 ZINC000895450774 583676608 /nfs/dbraw/zinc/67/66/08/583676608.db2.gz NEIGTZLUILCGNZ-GFCCVEGCSA-N 1 2 246.339 2.131 20 30 BEEDLO N#C[C@H]1CCCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000895650281 583699851 /nfs/dbraw/zinc/69/98/51/583699851.db2.gz UYMBMVCCNXNZDA-MRVPVSSYSA-N 1 2 236.706 2.057 20 30 BEEDLO C#CC[N@@H+](Cc1ccoc1C)C1CSC1 ZINC000895814232 583733981 /nfs/dbraw/zinc/73/39/81/583733981.db2.gz OVKSODXMKFUDLG-UHFFFAOYSA-N 1 2 221.325 2.139 20 30 BEEDLO C#CC[N@H+](Cc1ccoc1C)C1CSC1 ZINC000895814232 583733982 /nfs/dbraw/zinc/73/39/82/583733982.db2.gz OVKSODXMKFUDLG-UHFFFAOYSA-N 1 2 221.325 2.139 20 30 BEEDLO C#CC[N@@H+](Cc1cc(C)oc1C)C1CSC1 ZINC000895813795 583734188 /nfs/dbraw/zinc/73/41/88/583734188.db2.gz HYQXMPDLWPFXHO-UHFFFAOYSA-N 1 2 235.352 2.447 20 30 BEEDLO C#CC[N@H+](Cc1cc(C)oc1C)C1CSC1 ZINC000895813795 583734190 /nfs/dbraw/zinc/73/41/90/583734190.db2.gz HYQXMPDLWPFXHO-UHFFFAOYSA-N 1 2 235.352 2.447 20 30 BEEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979460 588927568 /nfs/dbraw/zinc/92/75/68/588927568.db2.gz PBIXUQXDLSJIGV-GXFFZTMASA-N 1 2 233.315 2.046 20 30 BEEDLO Cn1ncc(C2CC2)c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896500399 583807073 /nfs/dbraw/zinc/80/70/73/583807073.db2.gz DNKOKDHWICHTLQ-NSHDSACASA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1ncc(C2CC2)c1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896500399 583807074 /nfs/dbraw/zinc/80/70/74/583807074.db2.gz DNKOKDHWICHTLQ-NSHDSACASA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1cc(C[N@@H+]2CCC[C@@H](C#N)C2)c(C2CC2)n1 ZINC000896500242 583807092 /nfs/dbraw/zinc/80/70/92/583807092.db2.gz BEJMXYMYXQHPDJ-NSHDSACASA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1cc(C[N@H+]2CCC[C@@H](C#N)C2)c(C2CC2)n1 ZINC000896500242 583807093 /nfs/dbraw/zinc/80/70/93/583807093.db2.gz BEJMXYMYXQHPDJ-NSHDSACASA-N 1 2 244.342 2.033 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000896501514 583807439 /nfs/dbraw/zinc/80/74/39/583807439.db2.gz ARCYUDODNYWCIX-SNVBAGLBSA-N 1 2 234.274 2.267 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000896501514 583807441 /nfs/dbraw/zinc/80/74/41/583807441.db2.gz ARCYUDODNYWCIX-SNVBAGLBSA-N 1 2 234.274 2.267 20 30 BEEDLO C=CCN(CC=C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896826686 583837205 /nfs/dbraw/zinc/83/72/05/583837205.db2.gz AFGQBAZKFLAGOU-UHFFFAOYSA-N 1 2 247.342 2.127 20 30 BEEDLO C=C1CC(c2noc(C3([NH+](C)C)CC3)n2)C1 ZINC000896875670 583843662 /nfs/dbraw/zinc/84/36/62/583843662.db2.gz KNYWEPQHDHZXFZ-UHFFFAOYSA-N 1 2 219.288 2.054 20 30 BEEDLO C=C1CC(c2noc([C@H](C)[NH+](C)C)n2)C1 ZINC000896883900 583846667 /nfs/dbraw/zinc/84/66/67/583846667.db2.gz MPWQWXZTBHTHEE-QMMMGPOBSA-N 1 2 207.277 2.126 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896911494 583853238 /nfs/dbraw/zinc/85/32/38/583853238.db2.gz VYSRWRGEMVCGKS-ZDUSSCGKSA-N 1 2 235.331 2.245 20 30 BEEDLO C=CCC(CC=C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896917013 583855592 /nfs/dbraw/zinc/85/55/92/583855592.db2.gz OAQIWWROVCVBKT-UHFFFAOYSA-N 1 2 247.342 2.411 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccnn1-c1ccccc1 ZINC000897167933 583887190 /nfs/dbraw/zinc/88/71/90/583887190.db2.gz XAAMXLDFZPLNNK-UHFFFAOYSA-N 1 2 239.322 2.327 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccnn1-c1ccccc1 ZINC000897167933 583887191 /nfs/dbraw/zinc/88/71/91/583887191.db2.gz XAAMXLDFZPLNNK-UHFFFAOYSA-N 1 2 239.322 2.327 20 30 BEEDLO C#CC[C@@H](COC)Nc1cc[nH+]c(C(C)C)n1 ZINC000858860057 588979865 /nfs/dbraw/zinc/97/98/65/588979865.db2.gz YGVRMFMAFWBKEP-NSHDSACASA-N 1 2 233.315 2.050 20 30 BEEDLO Cc1cc(C=NN2CCC2)c2c([nH+]1)CCCC2 ZINC000901271005 584419094 /nfs/dbraw/zinc/41/90/94/584419094.db2.gz GBAFPZVOHRIWPB-UHFFFAOYSA-N 1 2 229.327 2.308 20 30 BEEDLO C(=[NH+]n1nnc2c1CCCC2)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000901329245 584423876 /nfs/dbraw/zinc/42/38/76/584423876.db2.gz UPOYGBRNFWALED-GRYCIOLGSA-N 1 2 244.342 2.427 20 30 BEEDLO CCC[C@@H](C)C=[NH+]n1nnc2c1CCCC2 ZINC000901330967 584424678 /nfs/dbraw/zinc/42/46/78/584424678.db2.gz GTLOEAIUBUQRLU-SNVBAGLBSA-N 1 2 220.320 2.427 20 30 BEEDLO CC(C)CC=[NH+]n1nnc2c1CCCC2 ZINC000901334140 584425622 /nfs/dbraw/zinc/42/56/22/584425622.db2.gz QMSORLZYLYBMIR-UHFFFAOYSA-N 1 2 206.293 2.037 20 30 BEEDLO CC(C)c1nc(C(=O)/C=C\c2c[nH+]cn2C)co1 ZINC000901503692 584454984 /nfs/dbraw/zinc/45/49/84/584454984.db2.gz FWZDYDDUJGZWNE-PLNGDYQASA-N 1 2 245.282 2.428 20 30 BEEDLO CC(C)c1c[nH]c(C=CC(=O)c2ccn(C)n2)[nH+]1 ZINC000901542476 584461018 /nfs/dbraw/zinc/46/10/18/584461018.db2.gz FHCUYEHQGKSKGI-PLNGDYQASA-N 1 2 244.298 2.163 20 30 BEEDLO CC(C)n1c[nH+]cc1CNc1cc(C#N)ccn1 ZINC000902109367 584524774 /nfs/dbraw/zinc/52/47/74/584524774.db2.gz KWCZPQVPLZKLLF-UHFFFAOYSA-N 1 2 241.298 2.343 20 30 BEEDLO C=C(C)CO[NH+]=C(N)Cc1ccccc1F ZINC000902622186 584645425 /nfs/dbraw/zinc/64/54/25/584645425.db2.gz BFDKPEPOJOUUKE-UHFFFAOYSA-N 1 2 222.263 2.443 20 30 BEEDLO C#CCCCCCCO[NH+]=C(N)COC(C)C ZINC000902702758 584658780 /nfs/dbraw/zinc/65/87/80/584658780.db2.gz ZOLZEQIMCUYCLX-UHFFFAOYSA-N 1 2 240.347 2.494 20 30 BEEDLO Cc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)nn1C ZINC000903031101 584718173 /nfs/dbraw/zinc/71/81/73/584718173.db2.gz BIHFYADKJYIMRL-NSHDSACASA-N 1 2 232.331 2.073 20 30 BEEDLO CC[C@H]([NH2+]CC1(C#N)CCC1)c1nccn1C ZINC000903032954 584718319 /nfs/dbraw/zinc/71/83/19/584718319.db2.gz NDAQAKMJNJGSKA-NSHDSACASA-N 1 2 232.331 2.155 20 30 BEEDLO C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)c2nccn21 ZINC000903035414 584718868 /nfs/dbraw/zinc/71/88/68/584718868.db2.gz OTDSQDVQUQKOHS-MNOVXSKESA-N 1 2 230.315 2.172 20 30 BEEDLO N#CC1(C[NH2+][C@H]2CCCc3cn[nH]c32)CCC1 ZINC000903035884 584719565 /nfs/dbraw/zinc/71/95/65/584719565.db2.gz VQGDQVQXFKWVSM-NSHDSACASA-N 1 2 230.315 2.071 20 30 BEEDLO N#CC1(C[NH2+][C@H]2CCCc3c[nH]nc32)CCC1 ZINC000903035884 584719566 /nfs/dbraw/zinc/71/95/66/584719566.db2.gz VQGDQVQXFKWVSM-NSHDSACASA-N 1 2 230.315 2.071 20 30 BEEDLO N#CC1(C[NH2+][C@@H]2CCn3ccnc32)CCCC1 ZINC000903108359 584728853 /nfs/dbraw/zinc/72/88/53/584728853.db2.gz ALFMNXWDTAMDAN-LLVKDONJSA-N 1 2 230.315 2.001 20 30 BEEDLO C#CC[NH+](CC#C)C[C@@H](OC)c1ccc(F)cc1 ZINC000859153758 589010443 /nfs/dbraw/zinc/01/04/43/589010443.db2.gz XSRUHNAPEVOYDA-OAHLLOKOSA-N 1 2 245.297 2.082 20 30 BEEDLO C=C[C@H](CC)Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000904033801 584838497 /nfs/dbraw/zinc/83/84/97/584838497.db2.gz PWEIHNWLZHBRRH-SNVBAGLBSA-N 1 2 246.314 2.149 20 30 BEEDLO Cc1cc(C)c(C(=O)N[C@H](C#N)C2CC2)c(C)[nH+]1 ZINC000904114288 584843107 /nfs/dbraw/zinc/84/31/07/584843107.db2.gz ZDGZRNSOIABHJF-GFCCVEGCSA-N 1 2 243.310 2.039 20 30 BEEDLO C[C@@H](C=[NH+]n1ccnn1)C1CCCCC1 ZINC000835012226 584918036 /nfs/dbraw/zinc/91/80/36/584918036.db2.gz UPPRXLCCGGYGAW-JTQLQIEISA-N 1 2 206.293 2.328 20 30 BEEDLO c1c[nH+]c(CN=Nc2nccc3sccc32)[nH]1 ZINC000731151839 584922464 /nfs/dbraw/zinc/92/24/64/584922464.db2.gz PRKIJRYDGBGFGY-UHFFFAOYSA-N 1 2 243.295 2.465 20 30 BEEDLO O=C1c2cccc(F)c2C/C1=C\c1[nH]cc[nH+]1 ZINC000731158485 584923130 /nfs/dbraw/zinc/92/31/30/584923130.db2.gz AYVVSWGCZKHKOZ-BQYQJAHWSA-N 1 2 228.226 2.371 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000731484248 584926724 /nfs/dbraw/zinc/92/67/24/584926724.db2.gz ILIUVYSETAIPSO-QMMMGPOBSA-N 1 2 237.234 2.126 20 30 BEEDLO C=CCCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000735537218 584978972 /nfs/dbraw/zinc/97/89/72/584978972.db2.gz XAKJDMANGQWMKF-UHFFFAOYSA-N 1 2 230.267 2.457 20 30 BEEDLO C#CC[C@H]([NH2+]CC(CC)(CC)CC)C(=O)OC ZINC000839167858 585095587 /nfs/dbraw/zinc/09/55/87/585095587.db2.gz HDMFMVKXHKDDHU-LBPRGKRZSA-N 1 2 239.359 2.357 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](CC)C1)C(=O)OC ZINC000839168310 585095745 /nfs/dbraw/zinc/09/57/45/585095745.db2.gz JNDPHHMLDPBATK-XQQFMLRXSA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](CC)C[C@@H](C)CC)C(=O)OC ZINC000839168834 585095747 /nfs/dbraw/zinc/09/57/47/585095747.db2.gz NDNGVKJPDFGWOH-XQQFMLRXSA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)C(=O)OC ZINC000839169937 585095969 /nfs/dbraw/zinc/09/59/69/585095969.db2.gz VSRMVYYUYWYXOJ-STQMWFEESA-N 1 2 237.343 2.276 20 30 BEEDLO C#CC[C@@H]([NH2+][C@@H](C)CC1CCCC1)C(=O)OC ZINC000839169703 585096036 /nfs/dbraw/zinc/09/60/36/585096036.db2.gz UWOBUEOTBLETHT-WCQYABFASA-N 1 2 237.343 2.110 20 30 BEEDLO C#CC[C@@H]([NH2+][C@@H]1CCCC12CCCC2)C(=O)OC ZINC000839169341 585096182 /nfs/dbraw/zinc/09/61/82/585096182.db2.gz RMWZLROGZFWZOD-CHWSQXEVSA-N 1 2 249.354 2.254 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1ccnc(F)c1)C1CC1 ZINC000859207614 589018843 /nfs/dbraw/zinc/01/88/43/589018843.db2.gz UMLSAGKCQQYMEB-JTQLQIEISA-N 1 2 233.290 2.345 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1ccnc(F)c1)C1CC1 ZINC000859207614 589018845 /nfs/dbraw/zinc/01/88/45/589018845.db2.gz UMLSAGKCQQYMEB-JTQLQIEISA-N 1 2 233.290 2.345 20 30 BEEDLO O=C1c2ccccc2O/C1=C\c1[nH]cc[nH+]1 ZINC000742437131 585126253 /nfs/dbraw/zinc/12/62/53/585126253.db2.gz QZQBODBQVSASHP-YFHOEESVSA-N 1 2 212.208 2.026 20 30 BEEDLO Oc1cccc(/C=[NH+]\CCC2CC2)c1O ZINC000743044069 585133461 /nfs/dbraw/zinc/13/34/61/585133461.db2.gz DLTVQWQRHPQIQL-JYRVWZFOSA-N 1 2 205.257 2.317 20 30 BEEDLO C#CC[C@H]1CC[N@@H+](Cc2noc(CCCC)n2)C1 ZINC000886355939 585134224 /nfs/dbraw/zinc/13/42/24/585134224.db2.gz QMOVTQDVVCZFOI-LBPRGKRZSA-N 1 2 247.342 2.257 20 30 BEEDLO C#CC[C@H]1CC[N@H+](Cc2noc(CCCC)n2)C1 ZINC000886355939 585134225 /nfs/dbraw/zinc/13/42/25/585134225.db2.gz QMOVTQDVVCZFOI-LBPRGKRZSA-N 1 2 247.342 2.257 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cccc(F)c1 ZINC000743852313 585140921 /nfs/dbraw/zinc/14/09/21/585140921.db2.gz LRTUTVMOSSJTQO-UHFFFAOYSA-N 1 2 215.271 2.284 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cccc(F)c1 ZINC000743852313 585140922 /nfs/dbraw/zinc/14/09/22/585140922.db2.gz LRTUTVMOSSJTQO-UHFFFAOYSA-N 1 2 215.271 2.284 20 30 BEEDLO C=C(Cl)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000839529000 585154280 /nfs/dbraw/zinc/15/42/80/585154280.db2.gz WLUNWDFVXYFOKV-UHFFFAOYSA-N 1 2 226.707 2.275 20 30 BEEDLO C=C(Cl)C[N@H+](C)Cc1ccc(OC)nc1 ZINC000839529000 585154281 /nfs/dbraw/zinc/15/42/81/585154281.db2.gz WLUNWDFVXYFOKV-UHFFFAOYSA-N 1 2 226.707 2.275 20 30 BEEDLO C[C@H]1COCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000749509220 585203174 /nfs/dbraw/zinc/20/31/74/585203174.db2.gz FZMOKGDHHRQXNT-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H]1COCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000749509220 585203175 /nfs/dbraw/zinc/20/31/75/585203175.db2.gz FZMOKGDHHRQXNT-NSHDSACASA-N 1 2 248.301 2.308 20 30 BEEDLO C1CC2(C1)CC(N=NC1=[NH+][C@@H]3CCCC[C@H]3N1)C2 ZINC000753928819 585272110 /nfs/dbraw/zinc/27/21/10/585272110.db2.gz MYQNUUMSBSTOAV-VXGBXAGGSA-N 1 2 246.358 2.167 20 30 BEEDLO C[C@@H]1CCCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)C1 ZINC000753935388 585272483 /nfs/dbraw/zinc/27/24/83/585272483.db2.gz ODZNDVWVERPQHI-RAIGVLPGSA-N 1 2 248.374 2.413 20 30 BEEDLO C[C@H](C#N)C[N@H+](C[C@H](O)c1ccccc1)C1CC1 ZINC000754375324 585283464 /nfs/dbraw/zinc/28/34/64/585283464.db2.gz YBOJXZGPRMLUKM-DOMZBBRYSA-N 1 2 244.338 2.344 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C[C@H](O)c1ccccc1)C1CC1 ZINC000754375324 585283465 /nfs/dbraw/zinc/28/34/65/585283465.db2.gz YBOJXZGPRMLUKM-DOMZBBRYSA-N 1 2 244.338 2.344 20 30 BEEDLO COc1ccc(C[N@H+](CCC#N)CC(C)C)cn1 ZINC000754660183 585288769 /nfs/dbraw/zinc/28/87/69/585288769.db2.gz RMGYEOSUBBYSGF-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO COc1ccc(C[N@@H+](CCC#N)CC(C)C)cn1 ZINC000754660183 585288770 /nfs/dbraw/zinc/28/87/70/585288770.db2.gz RMGYEOSUBBYSGF-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO Cc1ccc(NN=Cc2c[nH+]cn2C)cc1 ZINC000755466034 585300261 /nfs/dbraw/zinc/30/02/61/585300261.db2.gz SPZDFLBMWVSRDO-UHFFFAOYSA-N 1 2 214.272 2.175 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNCc1cccc(C)c1 ZINC000755773213 585306924 /nfs/dbraw/zinc/30/69/24/585306924.db2.gz DUWNBVSCXUIQEC-UHFFFAOYSA-N 1 2 228.299 2.150 20 30 BEEDLO C[C@H](C[C@@H]1CCOC1)/[NH+]=C\c1cccc(O)c1O ZINC000759645090 585377896 /nfs/dbraw/zinc/37/78/96/585377896.db2.gz XQUWAIINGRJZTE-NLQHLNQPSA-N 1 2 249.310 2.332 20 30 BEEDLO Cc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790301129 585402963 /nfs/dbraw/zinc/40/29/63/585402963.db2.gz CGVINTXMQZLHTN-UHFFFAOYSA-N 1 2 214.272 2.175 20 30 BEEDLO Cc1ccc(C=[NH+][N-]c2[nH+]ccn2C)cc1 ZINC000790301129 585402964 /nfs/dbraw/zinc/40/29/64/585402964.db2.gz CGVINTXMQZLHTN-UHFFFAOYSA-N 1 2 214.272 2.175 20 30 BEEDLO CCC(CC)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761836827 585419693 /nfs/dbraw/zinc/41/96/93/585419693.db2.gz BPFWYJCAGTVELV-UHFFFAOYSA-N 1 2 244.302 2.250 20 30 BEEDLO C#CC[N@@H+](Cc1cn2cccc(F)c2n1)C1CC1 ZINC000764681661 585470877 /nfs/dbraw/zinc/47/08/77/585470877.db2.gz GVVXWUJZUHIKEA-UHFFFAOYSA-N 1 2 243.285 2.071 20 30 BEEDLO C#CC[N@H+](Cc1cn2cccc(F)c2n1)C1CC1 ZINC000764681661 585470878 /nfs/dbraw/zinc/47/08/78/585470878.db2.gz GVVXWUJZUHIKEA-UHFFFAOYSA-N 1 2 243.285 2.071 20 30 BEEDLO C#CC[N@@H+](Cc1nn(C)c2ccccc12)C1CC1 ZINC000764681118 585471037 /nfs/dbraw/zinc/47/10/37/585471037.db2.gz FIPJURDRCIAPCM-UHFFFAOYSA-N 1 2 239.322 2.171 20 30 BEEDLO C#CC[N@H+](Cc1nn(C)c2ccccc12)C1CC1 ZINC000764681118 585471038 /nfs/dbraw/zinc/47/10/38/585471038.db2.gz FIPJURDRCIAPCM-UHFFFAOYSA-N 1 2 239.322 2.171 20 30 BEEDLO CC#CCCO[NH+]=C(N)Cc1cccs1 ZINC000764936555 585477559 /nfs/dbraw/zinc/47/75/59/585477559.db2.gz BVLCUZGXMBWJSQ-UHFFFAOYSA-N 1 2 222.313 2.202 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)OCCn1cc[nH+]c1 ZINC000767699305 585525109 /nfs/dbraw/zinc/52/51/09/585525109.db2.gz YDPPBMLLUIJMRZ-NSHDSACASA-N 1 2 222.288 2.029 20 30 BEEDLO C=CC[N@@H+](Cn1cc(Cl)cn1)C1CC1 ZINC000771641933 585598133 /nfs/dbraw/zinc/59/81/33/585598133.db2.gz NVWOCQCBEQSOGF-UHFFFAOYSA-N 1 2 211.696 2.144 20 30 BEEDLO C=CC[N@H+](Cn1cc(Cl)cn1)C1CC1 ZINC000771641933 585598134 /nfs/dbraw/zinc/59/81/34/585598134.db2.gz NVWOCQCBEQSOGF-UHFFFAOYSA-N 1 2 211.696 2.144 20 30 BEEDLO C=CC[N@H+](Cn1cccnc1=S)C1CC1 ZINC000771640596 585598316 /nfs/dbraw/zinc/59/83/16/585598316.db2.gz PCYNXUZRDYCMLV-UHFFFAOYSA-N 1 2 221.329 2.220 20 30 BEEDLO C=CC[N@@H+](Cn1cccnc1=S)C1CC1 ZINC000771640596 585598317 /nfs/dbraw/zinc/59/83/17/585598317.db2.gz PCYNXUZRDYCMLV-UHFFFAOYSA-N 1 2 221.329 2.220 20 30 BEEDLO C=CC[N@H+](CN1C(=O)[C@@H]2CCCCC[C@H]21)C1CC1 ZINC000771641746 585598346 /nfs/dbraw/zinc/59/83/46/585598346.db2.gz ZHUSBKSLMWUODN-ZIAGYGMSSA-N 1 2 248.370 2.385 20 30 BEEDLO C=CC[N@@H+](CN1C(=O)[C@@H]2CCCCC[C@H]21)C1CC1 ZINC000771641746 585598347 /nfs/dbraw/zinc/59/83/47/585598347.db2.gz ZHUSBKSLMWUODN-ZIAGYGMSSA-N 1 2 248.370 2.385 20 30 BEEDLO Cc1ccc(CCCN=Nc2cnccn2)c[nH+]1 ZINC000774365050 585657091 /nfs/dbraw/zinc/65/70/91/585657091.db2.gz YTKLUFZIBLMKHB-UHFFFAOYSA-N 1 2 241.298 2.211 20 30 BEEDLO Cc1ccc(CCCN=Nc2ccncc2)c[nH+]1 ZINC000774398442 585657387 /nfs/dbraw/zinc/65/73/87/585657387.db2.gz DWYZKDULNPQXOV-UHFFFAOYSA-N 1 2 240.310 2.237 20 30 BEEDLO CCC(CC)CNN=Cc1[nH+]c[nH]c1C ZINC000774470386 585659872 /nfs/dbraw/zinc/65/98/72/585659872.db2.gz HWAIDMCQLRKERN-UHFFFAOYSA-N 1 2 208.309 2.078 20 30 BEEDLO C#CC[N@@H+](Cc1ncccc1Cl)C1CC1 ZINC000859251685 589024526 /nfs/dbraw/zinc/02/45/26/589024526.db2.gz BQRRNZHOYORHDB-UHFFFAOYSA-N 1 2 220.703 2.333 20 30 BEEDLO C#CC[N@H+](Cc1ncccc1Cl)C1CC1 ZINC000859251685 589024529 /nfs/dbraw/zinc/02/45/29/589024529.db2.gz BQRRNZHOYORHDB-UHFFFAOYSA-N 1 2 220.703 2.333 20 30 BEEDLO C=CC[N@@H+](Cc1ccccc1F)Cn1cnnc1 ZINC000776757499 585704192 /nfs/dbraw/zinc/70/41/92/585704192.db2.gz RVCDMTGNMUBHHM-UHFFFAOYSA-N 1 2 246.289 2.063 20 30 BEEDLO C=CC[N@H+](Cc1ccccc1F)Cn1cnnc1 ZINC000776757499 585704193 /nfs/dbraw/zinc/70/41/93/585704193.db2.gz RVCDMTGNMUBHHM-UHFFFAOYSA-N 1 2 246.289 2.063 20 30 BEEDLO N#Cc1cc(F)ccc1C[N@H+]1CC=CCC1 ZINC000778966379 585742906 /nfs/dbraw/zinc/74/29/06/585742906.db2.gz JULJTOJRRWUHNQ-UHFFFAOYSA-N 1 2 216.259 2.459 20 30 BEEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC=CCC1 ZINC000778966379 585742907 /nfs/dbraw/zinc/74/29/07/585742907.db2.gz JULJTOJRRWUHNQ-UHFFFAOYSA-N 1 2 216.259 2.459 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccccc1SC ZINC000781332327 585794661 /nfs/dbraw/zinc/79/46/61/585794661.db2.gz TVCIXTNSUAVHAK-UHFFFAOYSA-N 1 2 229.348 2.477 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)OCCCC ZINC000785996586 585884831 /nfs/dbraw/zinc/88/48/31/585884831.db2.gz FJIRBVDYQDKHEI-LBPRGKRZSA-N 1 2 225.332 2.370 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)OCCCC ZINC000785996586 585884832 /nfs/dbraw/zinc/88/48/32/585884832.db2.gz FJIRBVDYQDKHEI-LBPRGKRZSA-N 1 2 225.332 2.370 20 30 BEEDLO C=CC[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000787690995 585914011 /nfs/dbraw/zinc/91/40/11/585914011.db2.gz PPIUNLUXCNPQQO-UHFFFAOYSA-N 1 2 223.703 2.029 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1ccccc1 ZINC000790299571 585962560 /nfs/dbraw/zinc/96/25/60/585962560.db2.gz FWISFRCUIIPQPR-UHFFFAOYSA-N 1 2 214.272 2.256 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1ccc(F)cc1 ZINC000790299628 585962832 /nfs/dbraw/zinc/96/28/32/585962832.db2.gz GNAWJMWSLRUVPZ-UHFFFAOYSA-N 1 2 232.262 2.395 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000790306519 585963213 /nfs/dbraw/zinc/96/32/13/585963213.db2.gz ZTLIQCYETMJVMZ-UHFFFAOYSA-N 1 2 239.282 2.128 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1cc(C)ccc1O ZINC000790303742 585963491 /nfs/dbraw/zinc/96/34/91/585963491.db2.gz XPVURGALFQCHNU-UHFFFAOYSA-N 1 2 244.298 2.270 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000792305059 585999335 /nfs/dbraw/zinc/99/93/35/585999335.db2.gz CGZQEONLRVELGN-UHFFFAOYSA-N 1 2 243.285 2.076 20 30 BEEDLO C#CC[N@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000792305059 585999336 /nfs/dbraw/zinc/99/93/36/585999336.db2.gz CGZQEONLRVELGN-UHFFFAOYSA-N 1 2 243.285 2.076 20 30 BEEDLO CC(C)O[C@@H](C=[NH+]n1cnnc1)c1ccccc1 ZINC000792868443 586006227 /nfs/dbraw/zinc/00/62/27/586006227.db2.gz DRVLBIBKHHWRSI-ZDUSSCGKSA-N 1 2 244.298 2.278 20 30 BEEDLO CC(=NN[C@H](C)C(C)(C)C)c1cn(C)c(C)[nH+]1 ZINC000793110915 586010468 /nfs/dbraw/zinc/01/04/68/586010468.db2.gz CSJIDHWCEFRXJM-SNVBAGLBSA-N 1 2 236.363 2.477 20 30 BEEDLO C=C(C)C[N@@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000796088895 586097319 /nfs/dbraw/zinc/09/73/19/586097319.db2.gz WEFQIGHMZAFZBI-UHFFFAOYSA-N 1 2 244.338 2.220 20 30 BEEDLO C=C(C)C[N@H+]1CCN(c2ccc(C)cc2)C(=O)C1 ZINC000796088895 586097320 /nfs/dbraw/zinc/09/73/20/586097320.db2.gz WEFQIGHMZAFZBI-UHFFFAOYSA-N 1 2 244.338 2.220 20 30 BEEDLO C=C(C)C[N@H+](CCF)Cc1ccc(CO)o1 ZINC000796383761 586102014 /nfs/dbraw/zinc/10/20/14/586102014.db2.gz IBWCKZQDBFUJDH-UHFFFAOYSA-N 1 2 227.279 2.120 20 30 BEEDLO C=C(C)C[N@@H+](CCF)Cc1ccc(CO)o1 ZINC000796383761 586102015 /nfs/dbraw/zinc/10/20/15/586102015.db2.gz IBWCKZQDBFUJDH-UHFFFAOYSA-N 1 2 227.279 2.120 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000800329340 586212541 /nfs/dbraw/zinc/21/25/41/586212541.db2.gz IWBKGXJDRZJCPE-FZMZJTMJSA-N 1 2 245.322 2.333 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000800329340 586212543 /nfs/dbraw/zinc/21/25/43/586212543.db2.gz IWBKGXJDRZJCPE-FZMZJTMJSA-N 1 2 245.322 2.333 20 30 BEEDLO Cc1ccoc1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000800795017 586229023 /nfs/dbraw/zinc/22/90/23/586229023.db2.gz WRHJIPGANTWUIC-ARJAWSKDSA-N 1 2 216.240 2.218 20 30 BEEDLO Cc1[nH+]c(C(C)N=Nc2cc(C)ccn2)cn1C ZINC000800813927 586231564 /nfs/dbraw/zinc/23/15/64/586231564.db2.gz MPBCZSGTYLDRHE-UHFFFAOYSA-N 1 2 243.314 2.268 20 30 BEEDLO C#CCOc1ccccc1NCc1cn(C)c[nH+]1 ZINC000808406471 586471753 /nfs/dbraw/zinc/47/17/53/586471753.db2.gz JFEKOHOGQTVHKZ-UHFFFAOYSA-N 1 2 241.294 2.044 20 30 BEEDLO C[N@@H+](Cc1ccccc1Cl)C[C@H](O)CC#N ZINC000809570342 586506944 /nfs/dbraw/zinc/50/69/44/586506944.db2.gz NIPHBRKJRYRAFB-LLVKDONJSA-N 1 2 238.718 2.046 20 30 BEEDLO C[N@H+](Cc1ccccc1Cl)C[C@H](O)CC#N ZINC000809570342 586506946 /nfs/dbraw/zinc/50/69/46/586506946.db2.gz NIPHBRKJRYRAFB-LLVKDONJSA-N 1 2 238.718 2.046 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2Cc3ccncc3C2)cc1 ZINC000809565564 586507107 /nfs/dbraw/zinc/50/71/07/586507107.db2.gz LDYBQVKDKSTBBD-UHFFFAOYSA-N 1 2 235.290 2.469 20 30 BEEDLO N#Cc1ccc(C[N@H+]2Cc3ccncc3C2)cc1 ZINC000809565564 586507108 /nfs/dbraw/zinc/50/71/08/586507108.db2.gz LDYBQVKDKSTBBD-UHFFFAOYSA-N 1 2 235.290 2.469 20 30 BEEDLO COc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1O ZINC000811699659 586565799 /nfs/dbraw/zinc/56/57/99/586565799.db2.gz XXHWRXUGCOIOKU-HWKANZROSA-N 1 2 244.250 2.020 20 30 BEEDLO CCOCCON=C(C)c1ccc(C)[nH+]c1C ZINC000814907507 586648120 /nfs/dbraw/zinc/64/81/20/586648120.db2.gz MNCSIHMMDAGXDC-UHFFFAOYSA-N 1 2 236.315 2.476 20 30 BEEDLO CCOCCO[NH+]=C(C)c1cc(N)ccc1F ZINC000814907779 586648505 /nfs/dbraw/zinc/64/85/05/586648505.db2.gz ZQVZPAAERNCMAQ-UHFFFAOYSA-N 1 2 240.278 2.185 20 30 BEEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](C)CCCCC ZINC000815281868 586676583 /nfs/dbraw/zinc/67/65/83/586676583.db2.gz JVYLXLAKMVWFIT-ZDUSSCGKSA-N 1 2 238.375 2.027 20 30 BEEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](C)CCCCC ZINC000815281868 586676584 /nfs/dbraw/zinc/67/65/84/586676584.db2.gz JVYLXLAKMVWFIT-ZDUSSCGKSA-N 1 2 238.375 2.027 20 30 BEEDLO C=C1CC[NH+](Cc2cnn(C)c2Cl)CC1 ZINC000816505303 586737575 /nfs/dbraw/zinc/73/75/75/586737575.db2.gz SGHFMKFMPULZPI-UHFFFAOYSA-N 1 2 225.723 2.226 20 30 BEEDLO C=CC[N@@H+](C)CN1CCC(CC)(CC)C1=O ZINC000817362320 586798903 /nfs/dbraw/zinc/79/89/03/586798903.db2.gz TVANBBUDNPHIQK-UHFFFAOYSA-N 1 2 224.348 2.100 20 30 BEEDLO C=CC[N@H+](C)CN1CCC(CC)(CC)C1=O ZINC000817362320 586798905 /nfs/dbraw/zinc/79/89/05/586798905.db2.gz TVANBBUDNPHIQK-UHFFFAOYSA-N 1 2 224.348 2.100 20 30 BEEDLO Cc1cc(CNC(=O)C#CC(C)(C)C)cc(C)[nH+]1 ZINC000817621217 586814415 /nfs/dbraw/zinc/81/44/15/586814415.db2.gz OWHMHQZIBFXUEH-UHFFFAOYSA-N 1 2 244.338 2.364 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000818992219 586920502 /nfs/dbraw/zinc/92/05/02/586920502.db2.gz OKFOIXDJDXXILE-UXVYAQNPSA-N 1 2 247.294 2.108 20 30 BEEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000819543729 586976276 /nfs/dbraw/zinc/97/62/76/586976276.db2.gz IEEKDOMEICTQCK-JTQLQIEISA-N 1 2 233.315 2.046 20 30 BEEDLO C=C(C)C(C)(C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819783102 586994513 /nfs/dbraw/zinc/99/45/13/586994513.db2.gz GCXSFODDHBRYCY-MRVPVSSYSA-N 1 2 226.345 2.196 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819782570 586994992 /nfs/dbraw/zinc/99/49/92/586994992.db2.gz OKWWVCJXOMNLNN-KCJUWKMLSA-N 1 2 226.345 2.196 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1NCCOCC ZINC000820630502 587059963 /nfs/dbraw/zinc/05/99/63/587059963.db2.gz VAJRJIYOCFRPLC-UHFFFAOYSA-N 1 2 248.326 2.322 20 30 BEEDLO Nc1ccc(/C=C2/Cc3ccccc3C2=O)c[nH+]1 ZINC000821027524 587089297 /nfs/dbraw/zinc/08/92/97/587089297.db2.gz HZNHYDDFGUBJDO-GHXNOFRVSA-N 1 2 236.274 2.486 20 30 BEEDLO C=C[C@H](CC)CC(=O)NCc1[nH+]ccn1CC ZINC000821240062 587103148 /nfs/dbraw/zinc/10/31/48/587103148.db2.gz YXFPLHWTLYUFQD-LLVKDONJSA-N 1 2 235.331 2.122 20 30 BEEDLO C=CCCC(=O)OCc1ccc[nH+]c1N(C)C ZINC000821607735 587132278 /nfs/dbraw/zinc/13/22/78/587132278.db2.gz CIYODMSSQBLOCA-UHFFFAOYSA-N 1 2 234.299 2.157 20 30 BEEDLO CCC(C#N)(CC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000860200650 589088965 /nfs/dbraw/zinc/08/89/65/589088965.db2.gz XQLCQZPDLMUZRD-UHFFFAOYSA-N 1 2 247.298 2.037 20 30 BEEDLO C#CCOc1ccccc1C[NH2+]C(CF)CF ZINC000824549049 587275384 /nfs/dbraw/zinc/27/53/84/587275384.db2.gz XQJFYABTJXGTLS-UHFFFAOYSA-N 1 2 239.265 2.096 20 30 BEEDLO Cc1cn2cc(NC(=O)C#CC(C)C)ccc2[nH+]1 ZINC000825265566 587311886 /nfs/dbraw/zinc/31/18/86/587311886.db2.gz CNVSKGOTYACLAC-UHFFFAOYSA-N 1 2 241.294 2.241 20 30 BEEDLO C#CC[N@@H+](Cc1c(C2CCC2)cnn1C)C1CC1 ZINC000825520225 587322611 /nfs/dbraw/zinc/32/26/11/587322611.db2.gz XCDDQSGVEPFNST-UHFFFAOYSA-N 1 2 243.354 2.285 20 30 BEEDLO C#CC[N@H+](Cc1c(C2CCC2)cnn1C)C1CC1 ZINC000825520225 587322613 /nfs/dbraw/zinc/32/26/13/587322613.db2.gz XCDDQSGVEPFNST-UHFFFAOYSA-N 1 2 243.354 2.285 20 30 BEEDLO C=C[C@@H](CC)CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000825531895 587323843 /nfs/dbraw/zinc/32/38/43/587323843.db2.gz PDTSPXDNDJRYHT-LBPRGKRZSA-N 1 2 249.358 2.337 20 30 BEEDLO C#C[C@H](C)N(C)c1nc(NC)c2ccccc2[nH+]1 ZINC000828036759 587417119 /nfs/dbraw/zinc/41/71/19/587417119.db2.gz OJBQVJMYVJBYCW-JTQLQIEISA-N 1 2 240.310 2.129 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829163719 587486025 /nfs/dbraw/zinc/48/60/25/587486025.db2.gz VTZKDDGUZLVDLK-JTQLQIEISA-N 1 2 249.745 2.290 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829163719 587486026 /nfs/dbraw/zinc/48/60/26/587486026.db2.gz VTZKDDGUZLVDLK-JTQLQIEISA-N 1 2 249.745 2.290 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000830240395 587543360 /nfs/dbraw/zinc/54/33/60/587543360.db2.gz SXNDLFFNDUUNIM-LLVKDONJSA-N 1 2 215.724 2.240 20 30 BEEDLO C=C(Cl)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000830240395 587543361 /nfs/dbraw/zinc/54/33/61/587543361.db2.gz SXNDLFFNDUUNIM-LLVKDONJSA-N 1 2 215.724 2.240 20 30 BEEDLO C=C1CCC(CNC(=O)Cc2[nH+]c[nH]c2C)CC1 ZINC000830990542 587580559 /nfs/dbraw/zinc/58/05/59/587580559.db2.gz DAEZXPWEIVUNMV-UHFFFAOYSA-N 1 2 247.342 2.123 20 30 BEEDLO C=CC(C)(C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000832718701 587678977 /nfs/dbraw/zinc/67/89/77/587678977.db2.gz ONMCUGRSOGJBLK-UHFFFAOYSA-N 1 2 249.358 2.369 20 30 BEEDLO C=CC(C)(C)CCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000832718701 587678978 /nfs/dbraw/zinc/67/89/78/587678978.db2.gz ONMCUGRSOGJBLK-UHFFFAOYSA-N 1 2 249.358 2.369 20 30 BEEDLO C=CCC(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833271083 587704153 /nfs/dbraw/zinc/70/41/53/587704153.db2.gz FFYBPWZKBVHBNZ-JTQLQIEISA-N 1 2 233.315 2.046 20 30 BEEDLO C=CCC1(C(=O)N[C@@H]2CCn3cc[nH+]c32)CCC1 ZINC000833278018 587704270 /nfs/dbraw/zinc/70/42/70/587704270.db2.gz LURVXUUPADGCNQ-LLVKDONJSA-N 1 2 245.326 2.191 20 30 BEEDLO FC1(F)CC1=C[NH2+]Nc1ccncc1Cl ZINC000834962140 587773052 /nfs/dbraw/zinc/77/30/52/587773052.db2.gz VDEDOGKIMBEWEQ-LURJTMIESA-N 1 2 231.633 2.210 20 30 BEEDLO CC(C)ON=Cc1cccc2[nH+]ccn21 ZINC000835001105 587776782 /nfs/dbraw/zinc/77/67/82/587776782.db2.gz UNMZKCFGHDMELV-UHFFFAOYSA-N 1 2 203.245 2.093 20 30 BEEDLO C#CCCCCC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836953840 587843402 /nfs/dbraw/zinc/84/34/02/587843402.db2.gz IDEJWDGUSHOPFF-NWDGAFQWSA-N 1 2 245.326 2.199 20 30 BEEDLO CCn1c[nH+]cc1C=NNCC1(C)CCCC1 ZINC000841642437 587966019 /nfs/dbraw/zinc/96/60/19/587966019.db2.gz QPPXTDVPZMZXFW-UHFFFAOYSA-N 1 2 234.347 2.407 20 30 BEEDLO C=CCCCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000842046381 587992466 /nfs/dbraw/zinc/99/24/66/587992466.db2.gz CKBFDQUPPFUIER-JTQLQIEISA-N 1 2 212.293 2.020 20 30 BEEDLO COCC1(CC/[NH+]=C\c2cccc(O)c2O)CC1 ZINC000843266994 588096446 /nfs/dbraw/zinc/09/64/46/588096446.db2.gz RLTSSVWFHZVDPZ-DHDCSXOGSA-N 1 2 249.310 2.333 20 30 BEEDLO C=CC[C@@H]1CC[C@]2(C1)[NH2+]C1(CCCC1)C(=O)N2C ZINC000844276500 588179540 /nfs/dbraw/zinc/17/95/40/588179540.db2.gz DXILHLOYBJKHLR-DOMZBBRYSA-N 1 2 248.370 2.433 20 30 BEEDLO CCC(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000844471704 588197936 /nfs/dbraw/zinc/19/79/36/588197936.db2.gz DMHILQKGPSBVPV-UHFFFAOYSA-N 1 2 228.295 2.243 20 30 BEEDLO CCC(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000844471704 588197938 /nfs/dbraw/zinc/19/79/38/588197938.db2.gz DMHILQKGPSBVPV-UHFFFAOYSA-N 1 2 228.295 2.243 20 30 BEEDLO C=C(CC)COC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845584512 588234050 /nfs/dbraw/zinc/23/40/50/588234050.db2.gz UROIBBOURIQFQI-UHFFFAOYSA-N 1 2 248.326 2.271 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)CC1(Br)CC1 ZINC000846816427 588291010 /nfs/dbraw/zinc/29/10/10/588291010.db2.gz WMHLOVAUFMZSFK-MRVPVSSYSA-N 1 2 231.137 2.148 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)CC1(Br)CC1 ZINC000846816427 588291011 /nfs/dbraw/zinc/29/10/11/588291011.db2.gz WMHLOVAUFMZSFK-MRVPVSSYSA-N 1 2 231.137 2.148 20 30 BEEDLO CC1(C#N)C[NH+](CCc2cccs2)C1 ZINC000846889552 588295413 /nfs/dbraw/zinc/29/54/13/588295413.db2.gz UWLNHFNSEUZTFR-UHFFFAOYSA-N 1 2 206.314 2.136 20 30 BEEDLO c1cn(CCCNN=C2CCC[C@H]3C[C@@H]23)c[nH+]1 ZINC000848417291 588381396 /nfs/dbraw/zinc/38/13/96/588381396.db2.gz SUQUDOWFGZNMHI-NWDGAFQWSA-N 1 2 232.331 2.039 20 30 BEEDLO Cc1sccc1C=NNCCCn1cc[nH+]c1 ZINC000848416260 588381772 /nfs/dbraw/zinc/38/17/72/588381772.db2.gz FDARHBMBHIRKNQ-UHFFFAOYSA-N 1 2 248.355 2.267 20 30 BEEDLO Cc1ccsc1C=NNCCCn1cc[nH+]c1 ZINC000848417930 588382200 /nfs/dbraw/zinc/38/22/00/588382200.db2.gz HBEGPMNANCTSCV-UHFFFAOYSA-N 1 2 248.355 2.267 20 30 BEEDLO C#C[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000848750601 588411323 /nfs/dbraw/zinc/41/13/23/588411323.db2.gz SJZNCIRNGZIEEW-CYBMUJFWSA-N 1 2 229.327 2.251 20 30 BEEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cscn1 ZINC000849324173 588472637 /nfs/dbraw/zinc/47/26/37/588472637.db2.gz YSIFWKCUHNJOKV-ZJUUUORDSA-N 1 2 234.328 2.237 20 30 BEEDLO N#CC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000851739941 588621587 /nfs/dbraw/zinc/62/15/87/588621587.db2.gz IXDJXDKFADJMAG-UHFFFAOYSA-N 1 2 231.299 2.288 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(CCCC)no1 ZINC000852096662 588661665 /nfs/dbraw/zinc/66/16/65/588661665.db2.gz FAYHLARGAIFBFW-ZDUSSCGKSA-N 1 2 235.331 2.304 20 30 BEEDLO C#C[C@](C)(CC)[NH2+][C@@H](CC)C(=O)OC(C)(C)C ZINC000852103213 588663299 /nfs/dbraw/zinc/66/32/99/588663299.db2.gz AKVGQYINSRIDJQ-SMDDNHRTSA-N 1 2 239.359 2.498 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(C2CC2)s1 ZINC000852103290 588663308 /nfs/dbraw/zinc/66/33/08/588663308.db2.gz CUEPWNDLTOYWPS-GFCCVEGCSA-N 1 2 235.356 2.307 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnon1 ZINC000852192038 588670957 /nfs/dbraw/zinc/67/09/57/588670957.db2.gz MNAHJNCQTFEYNG-SNVBAGLBSA-N 1 2 242.282 2.134 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnon1 ZINC000852192038 588670958 /nfs/dbraw/zinc/67/09/58/588670958.db2.gz MNAHJNCQTFEYNG-SNVBAGLBSA-N 1 2 242.282 2.134 20 30 BEEDLO C=CC[N@H+](Cc1cscn1)[C@@H](C)COC ZINC000852358362 588679031 /nfs/dbraw/zinc/67/90/31/588679031.db2.gz RBJQLGUEDJWZHJ-JTQLQIEISA-N 1 2 226.345 2.166 20 30 BEEDLO C=CC[N@@H+](Cc1cscn1)[C@@H](C)COC ZINC000852358362 588679032 /nfs/dbraw/zinc/67/90/32/588679032.db2.gz RBJQLGUEDJWZHJ-JTQLQIEISA-N 1 2 226.345 2.166 20 30 BEEDLO C[C@@H](C#N)[N@H+](CC1CC(F)(F)C1)C1CC1 ZINC000852479115 588683105 /nfs/dbraw/zinc/68/31/05/588683105.db2.gz CESVFGCBSRZYDT-QMMMGPOBSA-N 1 2 214.259 2.408 20 30 BEEDLO C[C@@H](C#N)[N@@H+](CC1CC(F)(F)C1)C1CC1 ZINC000852479115 588683106 /nfs/dbraw/zinc/68/31/06/588683106.db2.gz CESVFGCBSRZYDT-QMMMGPOBSA-N 1 2 214.259 2.408 20 30 BEEDLO C#CCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000852541921 588689283 /nfs/dbraw/zinc/68/92/83/588689283.db2.gz FGCPXJXRWRXBFQ-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO C#CCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000852541921 588689284 /nfs/dbraw/zinc/68/92/84/588689284.db2.gz FGCPXJXRWRXBFQ-CQSZACIVSA-N 1 2 233.286 2.222 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000852685029 588695815 /nfs/dbraw/zinc/69/58/15/588695815.db2.gz SXNPRHUMQUCNKD-UONOGXRCSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000852685029 588695816 /nfs/dbraw/zinc/69/58/16/588695816.db2.gz SXNPRHUMQUCNKD-UONOGXRCSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000852685027 588695973 /nfs/dbraw/zinc/69/59/73/588695973.db2.gz SXNPRHUMQUCNKD-KBPBESRZSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000852685027 588695974 /nfs/dbraw/zinc/69/59/74/588695974.db2.gz SXNPRHUMQUCNKD-KBPBESRZSA-N 1 2 248.301 2.095 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000862392505 589207778 /nfs/dbraw/zinc/20/77/78/589207778.db2.gz KUMOKORROQBBEU-AWEZNQCLSA-N 1 2 240.306 2.002 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000862392505 589207779 /nfs/dbraw/zinc/20/77/79/589207779.db2.gz KUMOKORROQBBEU-AWEZNQCLSA-N 1 2 240.306 2.002 20 30 BEEDLO C=CCN[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863111470 589257848 /nfs/dbraw/zinc/25/78/48/589257848.db2.gz ABNGYBSKRNDNHQ-UHFFFAOYSA-N 1 2 239.269 2.140 20 30 BEEDLO C#CCO[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863113297 589258684 /nfs/dbraw/zinc/25/86/84/589258684.db2.gz SYBWCCVKYDKLGA-UHFFFAOYSA-N 1 2 238.237 2.015 20 30 BEEDLO Cc1cc(C(N)=[NH+]OC[C@@H]2C[C@H]2C)ccc1F ZINC000863455427 589289152 /nfs/dbraw/zinc/28/91/52/589289152.db2.gz HMAQQCWFGHQISW-KCJUWKMLSA-N 1 2 236.290 2.427 20 30 BEEDLO Oc1cccc(/C=[NH+]/CC2CC=CC2)c1O ZINC000864345336 589353863 /nfs/dbraw/zinc/35/38/63/589353863.db2.gz TXDSLSWFYVUHEC-NTEUORMPSA-N 1 2 217.268 2.483 20 30 BEEDLO Oc1cccc(/C=[NH+]/CC[C@@H]2CCCOC2)c1O ZINC000864344694 589354010 /nfs/dbraw/zinc/35/40/10/589354010.db2.gz FFDCGDYDLBWVMP-ZRRZQRFHSA-N 1 2 249.310 2.333 20 30 BEEDLO Oc1cccc(/C=[NH+]\CC2CC=CC2)c1O ZINC000864345337 589354214 /nfs/dbraw/zinc/35/42/14/589354214.db2.gz TXDSLSWFYVUHEC-ZROIWOOFSA-N 1 2 217.268 2.483 20 30 BEEDLO C[C@H](O)c1ccc(NCCCCC#N)[nH+]c1 ZINC000865509938 589442196 /nfs/dbraw/zinc/44/21/96/589442196.db2.gz PFKXQVTWCQTCJI-JTQLQIEISA-N 1 2 219.288 2.241 20 30 BEEDLO C#CCCNc1cc(CCCC)[nH+]cn1 ZINC000865539638 589444710 /nfs/dbraw/zinc/44/47/10/589444710.db2.gz XOWLCUJIPLFMAF-UHFFFAOYSA-N 1 2 203.289 2.254 20 30 BEEDLO C[C@H](C#N)CNc1cc[nH+]cc1C(F)(F)F ZINC000865568346 589447381 /nfs/dbraw/zinc/44/73/81/589447381.db2.gz MTFCUXSDUOFWQC-SSDOTTSWSA-N 1 2 229.205 2.094 20 30 BEEDLO C=C[C@H](C)Nc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865607469 589450505 /nfs/dbraw/zinc/45/05/05/589450505.db2.gz SUZOWOREQJFWSN-QMMMGPOBSA-N 1 2 233.319 2.098 20 30 BEEDLO C=C[C@H](C)Nc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865607469 589450506 /nfs/dbraw/zinc/45/05/06/589450506.db2.gz SUZOWOREQJFWSN-QMMMGPOBSA-N 1 2 233.319 2.098 20 30 BEEDLO CCCCNc1cc(C)[nH+]c(NCCC#N)n1 ZINC000865733474 589459271 /nfs/dbraw/zinc/45/92/71/589459271.db2.gz YDFPXDQOPFACEX-UHFFFAOYSA-N 1 2 233.319 2.323 20 30 BEEDLO C#C[C@H]1CCCN(c2cc(NCCC)[nH+]cn2)C1 ZINC000865915587 589468485 /nfs/dbraw/zinc/46/84/85/589468485.db2.gz FHMDMDFILUBERD-LBPRGKRZSA-N 1 2 244.342 2.148 20 30 BEEDLO C#C[C@H]1CCCN(c2cc(NCCC)nc[nH+]2)C1 ZINC000865915587 589468486 /nfs/dbraw/zinc/46/84/86/589468486.db2.gz FHMDMDFILUBERD-LBPRGKRZSA-N 1 2 244.342 2.148 20 30 BEEDLO CC[C@H](O)CC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866287873 589484298 /nfs/dbraw/zinc/48/42/98/589484298.db2.gz RLRSZQSDNFUNRT-JQWIXIFHSA-N 1 2 248.326 2.075 20 30 BEEDLO C=CCOCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866337103 589486740 /nfs/dbraw/zinc/48/67/40/589486740.db2.gz OOWUSAVCKJVWDW-LLVKDONJSA-N 1 2 246.310 2.117 20 30 BEEDLO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866335331 589486771 /nfs/dbraw/zinc/48/67/71/589486771.db2.gz IGRCZLBQLIYFKG-OUAUKWLOSA-N 1 2 248.326 2.074 20 30 BEEDLO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866361627 589487912 /nfs/dbraw/zinc/48/79/12/589487912.db2.gz QXDJLDFVKIRRRI-OUAUKWLOSA-N 1 2 248.326 2.338 20 30 BEEDLO CC[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)OC ZINC000866360968 589488054 /nfs/dbraw/zinc/48/80/54/589488054.db2.gz IRZYMRCIAABEDG-PWSUYJOCSA-N 1 2 248.326 2.339 20 30 BEEDLO C[C@@H](NN=Cc1c[nH]c2nc[nH+]cc12)C(C)(C)C ZINC000872376154 589925457 /nfs/dbraw/zinc/92/54/57/589925457.db2.gz FZIWMGCAOXPDIL-SECBINFHSA-N 1 2 245.330 2.268 20 30 BEEDLO CN(C)c1cc(F)c(C=[NH+]N2CCC2)cc1F ZINC000872398736 589934915 /nfs/dbraw/zinc/93/49/15/589934915.db2.gz FYULYMKXGAOOMU-UHFFFAOYSA-N 1 2 239.269 2.070 20 30 BEEDLO Cc1cc(C=NNc2cc(C)[nH+]c(N)n2)c(C)o1 ZINC000872420233 589937125 /nfs/dbraw/zinc/93/71/25/589937125.db2.gz AVUPIYDGPRLPIB-UHFFFAOYSA-N 1 2 245.286 2.023 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cc(F)ccc1N(C)C ZINC000877320963 590312694 /nfs/dbraw/zinc/31/26/94/590312694.db2.gz CHGHPHLTCFWTCF-SNVBAGLBSA-N 1 2 235.306 2.141 20 30 BEEDLO C=CC[N@H+](C)Cc1cccnc1Br ZINC000877426872 590325152 /nfs/dbraw/zinc/32/51/52/590325152.db2.gz RYDCKMJGPNVLOR-UHFFFAOYSA-N 1 2 241.132 2.462 20 30 BEEDLO C=CC[N@@H+](C)Cc1cccnc1Br ZINC000877426872 590325150 /nfs/dbraw/zinc/32/51/50/590325150.db2.gz RYDCKMJGPNVLOR-UHFFFAOYSA-N 1 2 241.132 2.462 20 30 BEEDLO CSC(C)(C)CC[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000877463921 590332255 /nfs/dbraw/zinc/33/22/55/590332255.db2.gz FTOOOIQIAJSHNT-LLVKDONJSA-N 1 2 230.352 2.456 20 30 BEEDLO CSC(C)(C)CC[N@H+]1CC[C@@](F)(C#N)C1 ZINC000877463921 590332258 /nfs/dbraw/zinc/33/22/58/590332258.db2.gz FTOOOIQIAJSHNT-LLVKDONJSA-N 1 2 230.352 2.456 20 30 BEEDLO C#CCCCCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000877468077 590333777 /nfs/dbraw/zinc/33/37/77/590333777.db2.gz YESQHFLSRCHYGA-GFCCVEGCSA-N 1 2 245.313 2.272 20 30 BEEDLO C#CCCCCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000877468077 590333779 /nfs/dbraw/zinc/33/37/79/590333779.db2.gz YESQHFLSRCHYGA-GFCCVEGCSA-N 1 2 245.313 2.272 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccc(F)c(F)c2O)CC1 ZINC000877493324 590340830 /nfs/dbraw/zinc/34/08/30/590340830.db2.gz CCHXRSLDZYGECZ-UHFFFAOYSA-N 1 2 238.237 2.064 20 30 BEEDLO C=C(Cl)C[C@H]([NH2+]C[C@H]1C[C@@H]1C)C(=O)OCC ZINC000877672079 590389193 /nfs/dbraw/zinc/38/91/93/590389193.db2.gz VXFFIFRKPPCVMI-GDPRMGEGSA-N 1 2 245.750 2.306 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccoc1C ZINC000877991379 590467515 /nfs/dbraw/zinc/46/75/15/590467515.db2.gz JGJSWONNYBVOOK-LBPRGKRZSA-N 1 2 237.299 2.138 20 30 BEEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccoc1C ZINC000877991379 590467516 /nfs/dbraw/zinc/46/75/16/590467516.db2.gz JGJSWONNYBVOOK-LBPRGKRZSA-N 1 2 237.299 2.138 20 30 BEEDLO C=CC[C@H]([NH2+][C@H](C)c1ccccc1)C(=O)OC ZINC000878345046 590552876 /nfs/dbraw/zinc/55/28/76/590552876.db2.gz KZXYLIZYECEKGI-YPMHNXCESA-N 1 2 233.311 2.455 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nccn1CC(F)F ZINC000878383221 590558214 /nfs/dbraw/zinc/55/82/14/590558214.db2.gz LRSKSXHLEVLWGH-UHFFFAOYSA-N 1 2 229.274 2.156 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nccn1CC(F)F ZINC000878383221 590558216 /nfs/dbraw/zinc/55/82/16/590558216.db2.gz LRSKSXHLEVLWGH-UHFFFAOYSA-N 1 2 229.274 2.156 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)o1 ZINC000878524386 590586718 /nfs/dbraw/zinc/58/67/18/590586718.db2.gz OPBCFLINRLLPPM-ZDUSSCGKSA-N 1 2 242.282 2.211 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)o1 ZINC000878524386 590586720 /nfs/dbraw/zinc/58/67/20/590586720.db2.gz OPBCFLINRLLPPM-ZDUSSCGKSA-N 1 2 242.282 2.211 20 30 BEEDLO C#CCCCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000878684100 590609375 /nfs/dbraw/zinc/60/93/75/590609375.db2.gz OEBKGSMNJYZNCC-LLVKDONJSA-N 1 2 233.302 2.128 20 30 BEEDLO C#CCCCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000878684100 590609376 /nfs/dbraw/zinc/60/93/76/590609376.db2.gz OEBKGSMNJYZNCC-LLVKDONJSA-N 1 2 233.302 2.128 20 30 BEEDLO C#CC1CC[NH+](CC(=O)c2ccccc2F)CC1 ZINC000878763903 590619939 /nfs/dbraw/zinc/61/99/39/590619939.db2.gz PJJYKSDILYJHPL-UHFFFAOYSA-N 1 2 245.297 2.354 20 30 BEEDLO Cc1ccc(C[NH2+][C@@H](C)CC#N)c(Cl)n1 ZINC000878821467 590627926 /nfs/dbraw/zinc/62/79/26/590627926.db2.gz YQUQCCBXEVIMHP-QMMMGPOBSA-N 1 2 223.707 2.435 20 30 BEEDLO Cc1ccc(C[NH2+][C@H](C)CC#N)c(Cl)n1 ZINC000878821466 590628038 /nfs/dbraw/zinc/62/80/38/590628038.db2.gz YQUQCCBXEVIMHP-MRVPVSSYSA-N 1 2 223.707 2.435 20 30 BEEDLO C#CC[N@@H+](Cc1cnc(C)s1)C1CSC1 ZINC000878911387 590636264 /nfs/dbraw/zinc/63/62/64/590636264.db2.gz KPXYBUMAPOWJHT-UHFFFAOYSA-N 1 2 238.381 2.002 20 30 BEEDLO C#CC[N@H+](Cc1cnc(C)s1)C1CSC1 ZINC000878911387 590636266 /nfs/dbraw/zinc/63/62/66/590636266.db2.gz KPXYBUMAPOWJHT-UHFFFAOYSA-N 1 2 238.381 2.002 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878876377 590638555 /nfs/dbraw/zinc/63/85/55/590638555.db2.gz LOJSLEBDVKGSCM-JTQLQIEISA-N 1 2 211.696 2.299 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878876377 590638558 /nfs/dbraw/zinc/63/85/58/590638558.db2.gz LOJSLEBDVKGSCM-JTQLQIEISA-N 1 2 211.696 2.299 20 30 BEEDLO C#CC[N@@H+](Cc1scnc1C)C1CSC1 ZINC000878909968 590646563 /nfs/dbraw/zinc/64/65/63/590646563.db2.gz FWCWWZBXQNLDSL-UHFFFAOYSA-N 1 2 238.381 2.002 20 30 BEEDLO C#CC[N@H+](Cc1scnc1C)C1CSC1 ZINC000878909968 590646566 /nfs/dbraw/zinc/64/65/66/590646566.db2.gz FWCWWZBXQNLDSL-UHFFFAOYSA-N 1 2 238.381 2.002 20 30 BEEDLO C=C[C@H](CO)[NH2+]Cc1c(Cl)cncc1Cl ZINC000878994892 590672850 /nfs/dbraw/zinc/67/28/50/590672850.db2.gz DEOIMOQRXYUTNR-SSDOTTSWSA-N 1 2 247.125 2.025 20 30 BEEDLO C[N@H+](Cc1cccc(F)n1)[C@@H]1CCC[C@@H]1C#N ZINC000879308580 590734668 /nfs/dbraw/zinc/73/46/68/590734668.db2.gz CYUJDKJRDFSVOZ-ZYHUDNBSSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1cccc(F)n1)[C@@H]1CCC[C@@H]1C#N ZINC000879308580 590734670 /nfs/dbraw/zinc/73/46/70/590734670.db2.gz CYUJDKJRDFSVOZ-ZYHUDNBSSA-N 1 2 233.290 2.345 20 30 BEEDLO C=CC[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879634643 590839289 /nfs/dbraw/zinc/83/92/89/590839289.db2.gz ZQXMBGBSIAVZIV-AWEZNQCLSA-N 1 2 233.311 2.255 20 30 BEEDLO C=CC[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879634643 590839293 /nfs/dbraw/zinc/83/92/93/590839293.db2.gz ZQXMBGBSIAVZIV-AWEZNQCLSA-N 1 2 233.311 2.255 20 30 BEEDLO C#CCC[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879630562 590840499 /nfs/dbraw/zinc/84/04/99/590840499.db2.gz KIPJAXZLMCITSK-HNNXBMFYSA-N 1 2 245.322 2.092 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879628871 590840434 /nfs/dbraw/zinc/84/04/34/590840434.db2.gz BLCBLJKNANSUPI-HNNXBMFYSA-N 1 2 245.322 2.092 20 30 BEEDLO CC#CC[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879628871 590840438 /nfs/dbraw/zinc/84/04/38/590840438.db2.gz BLCBLJKNANSUPI-HNNXBMFYSA-N 1 2 245.322 2.092 20 30 BEEDLO C#CCC[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879630562 590840494 /nfs/dbraw/zinc/84/04/94/590840494.db2.gz KIPJAXZLMCITSK-HNNXBMFYSA-N 1 2 245.322 2.092 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879634470 590840524 /nfs/dbraw/zinc/84/05/24/590840524.db2.gz SBMDYECPZAXPLJ-HNNXBMFYSA-N 1 2 245.322 2.092 20 30 BEEDLO CC#CC[N@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879634470 590840528 /nfs/dbraw/zinc/84/05/28/590840528.db2.gz SBMDYECPZAXPLJ-HNNXBMFYSA-N 1 2 245.322 2.092 20 30 BEEDLO Cc1cncc([C@H]2CCC[N@@H+]2CCC#N)c1 ZINC000879749614 590857948 /nfs/dbraw/zinc/85/79/48/590857948.db2.gz ZVEFTXMGLGGBCM-CYBMUJFWSA-N 1 2 215.300 2.441 20 30 BEEDLO Cc1cncc([C@H]2CCC[N@H+]2CCC#N)c1 ZINC000879749614 590857951 /nfs/dbraw/zinc/85/79/51/590857951.db2.gz ZVEFTXMGLGGBCM-CYBMUJFWSA-N 1 2 215.300 2.441 20 30 BEEDLO C=C(Cl)C[N@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880302479 590998853 /nfs/dbraw/zinc/99/88/53/590998853.db2.gz HUTRYJIRBZHCHZ-QMMMGPOBSA-N 1 2 243.656 2.392 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880302479 590998855 /nfs/dbraw/zinc/99/88/55/590998855.db2.gz HUTRYJIRBZHCHZ-QMMMGPOBSA-N 1 2 243.656 2.392 20 30 BEEDLO C#C[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000882543647 591390205 /nfs/dbraw/zinc/39/02/05/591390205.db2.gz JGGIAILRUIFOKP-JTQLQIEISA-N 1 2 204.248 2.070 20 30 BEEDLO C#CC1(Nc2cc[nH+]c(C)n2)CCCC1 ZINC000882972409 591488726 /nfs/dbraw/zinc/48/87/26/591488726.db2.gz LTZAADWSYZSNDG-UHFFFAOYSA-N 1 2 201.273 2.143 20 30 BEEDLO C=C(C)C[C@@H](CO)Nc1cc[nH+]c(C(C)C)n1 ZINC000883007497 591508392 /nfs/dbraw/zinc/50/83/92/591508392.db2.gz XTSFIWWJXHDPFQ-NSHDSACASA-N 1 2 235.331 2.339 20 30 BEEDLO C#CCCCC[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000130782676 591519971 /nfs/dbraw/zinc/51/99/71/591519971.db2.gz BIHXFLPPJVSRHH-AWEZNQCLSA-N 1 2 245.322 2.294 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1nn(C)c2ccccc12 ZINC000131658115 591636914 /nfs/dbraw/zinc/63/69/14/591636914.db2.gz BPONWAZUMWUFMG-UHFFFAOYSA-N 1 2 235.718 2.415 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@H](CCC)C1 ZINC000131779652 591656197 /nfs/dbraw/zinc/65/61/97/591656197.db2.gz RUSCVLTYOXNZSR-SNVBAGLBSA-N 1 2 203.713 2.240 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@H](CCC)C1 ZINC000131779652 591656200 /nfs/dbraw/zinc/65/62/00/591656200.db2.gz RUSCVLTYOXNZSR-SNVBAGLBSA-N 1 2 203.713 2.240 20 30 BEEDLO C#CCSCC(=O)OCc1ccc(C)[nH+]c1C ZINC000885898544 592106606 /nfs/dbraw/zinc/10/66/06/592106606.db2.gz MUUYPXLJIYPRFP-UHFFFAOYSA-N 1 2 249.335 2.108 20 30 BEEDLO C=CCC[C@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887100498 592441622 /nfs/dbraw/zinc/44/16/22/592441622.db2.gz DCMLNOGJAFZXLW-NSHDSACASA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887100498 592441625 /nfs/dbraw/zinc/44/16/25/592441625.db2.gz DCMLNOGJAFZXLW-NSHDSACASA-N 1 2 233.302 2.433 20 30 BEEDLO C#CCC[N@@H+](C)Cc1csc(CC)n1 ZINC000308423107 631328248 /nfs/dbraw/zinc/32/82/48/631328248.db2.gz PCVPAPZLEJSGCG-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO C#CCC[N@H+](C)Cc1csc(CC)n1 ZINC000308423107 631328252 /nfs/dbraw/zinc/32/82/52/631328252.db2.gz PCVPAPZLEJSGCG-UHFFFAOYSA-N 1 2 208.330 2.161 20 30 BEEDLO CCCCCCC[NH+]1CCS(=O)CC1 ZINC000157907457 631347579 /nfs/dbraw/zinc/34/75/79/631347579.db2.gz DJLNIDXQCDRNOQ-UHFFFAOYSA-N 1 2 217.378 2.021 20 30 BEEDLO N#CCC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000308855816 631695110 /nfs/dbraw/zinc/69/51/10/631695110.db2.gz NVRKVORAKPCQOJ-UHFFFAOYSA-N 1 2 221.329 2.414 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1ccc(Cl)nn1 ZINC000934458926 631849081 /nfs/dbraw/zinc/84/90/81/631849081.db2.gz GBELQVOWRQCWRA-JTQLQIEISA-N 1 2 223.707 2.280 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1ccc(Cl)nn1 ZINC000934458926 631849083 /nfs/dbraw/zinc/84/90/83/631849083.db2.gz GBELQVOWRQCWRA-JTQLQIEISA-N 1 2 223.707 2.280 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1ncnn1C(C)(C)C ZINC000934464034 631858249 /nfs/dbraw/zinc/85/82/49/631858249.db2.gz LRFWDPGQVYNGOR-NSHDSACASA-N 1 2 234.347 2.184 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1ncnn1C(C)(C)C ZINC000934464034 631858252 /nfs/dbraw/zinc/85/82/52/631858252.db2.gz LRFWDPGQVYNGOR-NSHDSACASA-N 1 2 234.347 2.184 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1ncnn1C(C)(C)C ZINC000934464033 631858336 /nfs/dbraw/zinc/85/83/36/631858336.db2.gz LRFWDPGQVYNGOR-LLVKDONJSA-N 1 2 234.347 2.184 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1ncnn1C(C)(C)C ZINC000934464033 631858340 /nfs/dbraw/zinc/85/83/40/631858340.db2.gz LRFWDPGQVYNGOR-LLVKDONJSA-N 1 2 234.347 2.184 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1ncnn1C(C)C ZINC000934464501 631861248 /nfs/dbraw/zinc/86/12/48/631861248.db2.gz PEXWHZYZXRNQDQ-NSHDSACASA-N 1 2 220.320 2.009 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1ncnn1C(C)C ZINC000934464501 631861253 /nfs/dbraw/zinc/86/12/53/631861253.db2.gz PEXWHZYZXRNQDQ-NSHDSACASA-N 1 2 220.320 2.009 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1 ZINC000934511457 631892603 /nfs/dbraw/zinc/89/26/03/631892603.db2.gz ODMFEFTUWKWHGA-CQSZACIVSA-N 1 2 242.322 2.113 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000934511457 631892606 /nfs/dbraw/zinc/89/26/06/631892606.db2.gz ODMFEFTUWKWHGA-CQSZACIVSA-N 1 2 242.322 2.113 20 30 BEEDLO CCOc1ccc(C[NH2+]CC2(C#N)CC2)o1 ZINC000894202860 635746222 /nfs/dbraw/zinc/74/62/22/635746222.db2.gz AGGKICYTCLGQBT-UHFFFAOYSA-N 1 2 220.272 2.072 20 30 BEEDLO CCOc1cccc(/C=[NH+]\CCCOC)c1O ZINC000255573695 632420337 /nfs/dbraw/zinc/42/03/37/632420337.db2.gz CVSRMOZJMUINTF-UVTDQMKNSA-N 1 2 237.299 2.246 20 30 BEEDLO CC[C@H](C)CO[NH+]=C(N)c1ccccc1 ZINC000178124187 632948540 /nfs/dbraw/zinc/94/85/40/632948540.db2.gz NSVOOTAFZOFLRG-JTQLQIEISA-N 1 2 206.289 2.370 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc2c1OCO2 ZINC000926873627 633758823 /nfs/dbraw/zinc/75/88/23/633758823.db2.gz HYVOBFSYQRDYEQ-JTQLQIEISA-N 1 2 244.294 2.370 20 30 BEEDLO CCOC(C[N@H+](CCC#N)CC1CC1)OCC ZINC000184977623 634028767 /nfs/dbraw/zinc/02/87/67/634028767.db2.gz HGYYPHNQPBHRFX-UHFFFAOYSA-N 1 2 240.347 2.011 20 30 BEEDLO CCOC(C[N@@H+](CCC#N)CC1CC1)OCC ZINC000184977623 634028769 /nfs/dbraw/zinc/02/87/69/634028769.db2.gz HGYYPHNQPBHRFX-UHFFFAOYSA-N 1 2 240.347 2.011 20 30 BEEDLO C=C[C@H]1CCCCN1c1cc(N(C)C)[nH+]cn1 ZINC000893552692 635152560 /nfs/dbraw/zinc/15/25/60/635152560.db2.gz XEMGCTFCFOEWTF-NSHDSACASA-N 1 2 232.331 2.088 20 30 BEEDLO C=C[C@H]1CCCCN1c1cc(N(C)C)nc[nH+]1 ZINC000893552692 635152572 /nfs/dbraw/zinc/15/25/72/635152572.db2.gz XEMGCTFCFOEWTF-NSHDSACASA-N 1 2 232.331 2.088 20 30 BEEDLO C=C(CC)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897932687 636846887 /nfs/dbraw/zinc/84/68/87/636846887.db2.gz LZHNHUHRTRVVFJ-UHFFFAOYSA-N 1 2 235.331 2.009 20 30 BEEDLO C#CC[N@H+](CN1C(=O)[C@@H]2CCCCC[C@H]21)C(C)C ZINC000905747823 637897865 /nfs/dbraw/zinc/89/78/65/637897865.db2.gz DRNQIECHXYTFRL-ZIAGYGMSSA-N 1 2 248.370 2.079 20 30 BEEDLO C#CC[N@@H+](CN1C(=O)[C@@H]2CCCCC[C@H]21)C(C)C ZINC000905747823 637897868 /nfs/dbraw/zinc/89/78/68/637897868.db2.gz DRNQIECHXYTFRL-ZIAGYGMSSA-N 1 2 248.370 2.079 20 30 BEEDLO C=CC[C@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC ZINC000905781816 637910768 /nfs/dbraw/zinc/91/07/68/637910768.db2.gz ZQDDUHCOZDXXDO-NSHDSACASA-N 1 2 223.316 2.026 20 30 BEEDLO C=C(C)c1cc(C)c2[nH+]cc(CO)n2c1 ZINC000906169470 638083376 /nfs/dbraw/zinc/08/33/76/638083376.db2.gz VEWFUNHNJWSPAP-UHFFFAOYSA-N 1 2 202.257 2.168 20 30 BEEDLO Cc1cc(C)c(C(=O)N(C)C[C@H](C)C#N)c(C)[nH+]1 ZINC000906380074 638150116 /nfs/dbraw/zinc/15/01/16/638150116.db2.gz LMIZHAQOTYIALB-SECBINFHSA-N 1 2 245.326 2.239 20 30 BEEDLO C=CC[C@@H](CC)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000907963882 638525288 /nfs/dbraw/zinc/52/52/88/638525288.db2.gz XYXZZHHBSATBNG-GFCCVEGCSA-N 1 2 249.358 2.398 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C)cc(C)n1 ZINC000930694085 639865035 /nfs/dbraw/zinc/86/50/35/639865035.db2.gz XEHRLQHPAHGJKS-GFCCVEGCSA-N 1 2 217.316 2.480 20 30 BEEDLO C[C@@H]([NH2+][C@@H](C)CC#N)c1ccc(F)nc1 ZINC000930866556 639960815 /nfs/dbraw/zinc/96/08/15/639960815.db2.gz COERDBAOINMTRN-DTWKUNHWSA-N 1 2 207.252 2.173 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000930887456 639973974 /nfs/dbraw/zinc/97/39/74/639973974.db2.gz XUGUISFABLTOMH-JTQLQIEISA-N 1 2 236.265 2.205 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2c(F)cncc2F)C1 ZINC000930887456 639973979 /nfs/dbraw/zinc/97/39/79/639973979.db2.gz XUGUISFABLTOMH-JTQLQIEISA-N 1 2 236.265 2.205 20 30 BEEDLO CC[N@H+](C[C@@H](COC)C(C)C)[C@H](C)C#N ZINC000931057126 640045546 /nfs/dbraw/zinc/04/55/46/640045546.db2.gz VJIKCDAPSVVWQB-NEPJUHHUSA-N 1 2 212.337 2.139 20 30 BEEDLO CC[N@@H+](C[C@@H](COC)C(C)C)[C@H](C)C#N ZINC000931057126 640045550 /nfs/dbraw/zinc/04/55/50/640045550.db2.gz VJIKCDAPSVVWQB-NEPJUHHUSA-N 1 2 212.337 2.139 20 30 BEEDLO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932156939 640445061 /nfs/dbraw/zinc/44/50/61/640445061.db2.gz TXUCKMWCWZFSJP-ZFWWWQNUSA-N 1 2 244.338 2.264 20 30 BEEDLO Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932156939 640445064 /nfs/dbraw/zinc/44/50/64/640445064.db2.gz TXUCKMWCWZFSJP-ZFWWWQNUSA-N 1 2 244.338 2.264 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932207852 640452478 /nfs/dbraw/zinc/45/24/78/640452478.db2.gz UGHWKHYBMIVFAM-LLVKDONJSA-N 1 2 235.356 2.311 20 30 BEEDLO N#CCC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932207852 640452482 /nfs/dbraw/zinc/45/24/82/640452482.db2.gz UGHWKHYBMIVFAM-LLVKDONJSA-N 1 2 235.356 2.311 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(C)s1)C(C)C ZINC000932388890 640516516 /nfs/dbraw/zinc/51/65/16/640516516.db2.gz ZILMCRYBUCPKRW-UHFFFAOYSA-N 1 2 208.330 2.295 20 30 BEEDLO C#CC[N@H+](Cc1ncc(C)s1)C(C)C ZINC000932388890 640516512 /nfs/dbraw/zinc/51/65/12/640516512.db2.gz ZILMCRYBUCPKRW-UHFFFAOYSA-N 1 2 208.330 2.295 20 30 BEEDLO C=CCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000156953867 640520330 /nfs/dbraw/zinc/52/03/30/640520330.db2.gz WXDXEBKLLNIMCU-UHFFFAOYSA-N 1 2 222.263 2.347 20 30 BEEDLO C#CC[N@@H+](Cc1nnc(C(C)C)o1)C(C)(C)C ZINC000932465009 640538948 /nfs/dbraw/zinc/53/89/48/640538948.db2.gz WQKFYCHHASQJDS-UHFFFAOYSA-N 1 2 235.331 2.427 20 30 BEEDLO C#CC[N@H+](Cc1nnc(C(C)C)o1)C(C)(C)C ZINC000932465009 640538954 /nfs/dbraw/zinc/53/89/54/640538954.db2.gz WQKFYCHHASQJDS-UHFFFAOYSA-N 1 2 235.331 2.427 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cccc(Cl)c1O ZINC000165161096 640539647 /nfs/dbraw/zinc/53/96/47/640539647.db2.gz VZDTVHLWSLXARD-MRVPVSSYSA-N 1 2 224.691 2.295 20 30 BEEDLO C=C[C@H](CC)CC(=O)NCCCCn1cc[nH+]c1 ZINC000932717873 640603885 /nfs/dbraw/zinc/60/38/85/640603885.db2.gz HOHVDSOJSMDHEK-CYBMUJFWSA-N 1 2 249.358 2.382 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)=C2CCCC2)C1 ZINC001030205367 640681114 /nfs/dbraw/zinc/68/11/14/640681114.db2.gz CIZIKGKUCBOIQQ-UHFFFAOYSA-N 1 2 248.370 2.253 20 30 BEEDLO C#CCC1([NH2+][C@H](C)C(=O)OC(C)(C)C)CCC1 ZINC000933299612 640702745 /nfs/dbraw/zinc/70/27/45/640702745.db2.gz YPZNQMTZYNUVMC-LLVKDONJSA-N 1 2 237.343 2.252 20 30 BEEDLO C#CCCCCNc1[nH+]cccc1OC ZINC000229732799 640975207 /nfs/dbraw/zinc/97/52/07/640975207.db2.gz XKADTSUNRIPRAQ-UHFFFAOYSA-N 1 2 204.273 2.306 20 30 BEEDLO C=C(Cl)C[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000934475762 641168217 /nfs/dbraw/zinc/16/82/17/641168217.db2.gz PLOBTXINQDFQSY-LLVKDONJSA-N 1 2 215.724 2.240 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC000934475762 641168220 /nfs/dbraw/zinc/16/82/20/641168220.db2.gz PLOBTXINQDFQSY-LLVKDONJSA-N 1 2 215.724 2.240 20 30 BEEDLO C[C@@H]([NH2+]CCC#N)c1cnn(CC2CCC2)c1 ZINC000934554619 641192975 /nfs/dbraw/zinc/19/29/75/641192975.db2.gz VATIAPSTMRKYPP-LLVKDONJSA-N 1 2 232.331 2.247 20 30 BEEDLO C=C[C@@H](CC)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000934913790 641300966 /nfs/dbraw/zinc/30/09/66/641300966.db2.gz LAAKXKIEZMBRBP-ZDUSSCGKSA-N 1 2 249.358 2.334 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C1CCCC1 ZINC000155730965 641581140 /nfs/dbraw/zinc/58/11/40/641581140.db2.gz RIJARFARQPJIJN-UHFFFAOYSA-N 1 2 237.343 2.206 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C1CCCC1 ZINC000155730965 641581150 /nfs/dbraw/zinc/58/11/50/641581150.db2.gz RIJARFARQPJIJN-UHFFFAOYSA-N 1 2 237.343 2.206 20 30 BEEDLO C[N@H+](CCC#N)C[C@@H]1CCCC2(CCC2)O1 ZINC000929808976 641636437 /nfs/dbraw/zinc/63/64/37/641636437.db2.gz MMPQUTIESWSTGM-LBPRGKRZSA-N 1 2 222.332 2.324 20 30 BEEDLO C[N@@H+](CCC#N)C[C@@H]1CCCC2(CCC2)O1 ZINC000929808976 641636440 /nfs/dbraw/zinc/63/64/40/641636440.db2.gz MMPQUTIESWSTGM-LBPRGKRZSA-N 1 2 222.332 2.324 20 30 BEEDLO C=CC(C)(C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000832718554 641680090 /nfs/dbraw/zinc/68/00/90/641680090.db2.gz KHEILMQLKYDCTJ-UHFFFAOYSA-N 1 2 249.358 2.451 20 30 BEEDLO C=CC(C)(C)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000832718554 641680097 /nfs/dbraw/zinc/68/00/97/641680097.db2.gz KHEILMQLKYDCTJ-UHFFFAOYSA-N 1 2 249.358 2.451 20 30 BEEDLO C=CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC000949666198 641853152 /nfs/dbraw/zinc/85/31/52/641853152.db2.gz SHGIKLZVWYVPCI-CYBMUJFWSA-N 1 2 248.370 2.061 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000949689035 641854636 /nfs/dbraw/zinc/85/46/36/641854636.db2.gz JBYYEGZKIKOKEC-CQSZACIVSA-N 1 2 248.370 2.063 20 30 BEEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)C2=CCCC2)C1 ZINC000949874393 641868208 /nfs/dbraw/zinc/86/82/08/641868208.db2.gz JNEQHICHPASOAC-UHFFFAOYSA-N 1 2 248.370 2.206 20 30 BEEDLO N#CCC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000916832099 641978971 /nfs/dbraw/zinc/97/89/71/641978971.db2.gz PCPBDMDKLCMHGN-UHFFFAOYSA-N 1 2 238.294 2.147 20 30 BEEDLO C=C(Cl)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000073167355 642007459 /nfs/dbraw/zinc/00/74/59/642007459.db2.gz BSRQVVVFWAZBGE-NSHDSACASA-N 1 2 217.740 2.486 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000073167355 642007463 /nfs/dbraw/zinc/00/74/63/642007463.db2.gz BSRQVVVFWAZBGE-NSHDSACASA-N 1 2 217.740 2.486 20 30 BEEDLO Cc1cc(C(N)=[NH+]OCC(C)C)ccc1F ZINC000154513419 642118937 /nfs/dbraw/zinc/11/89/37/642118937.db2.gz GTAVJTWZOAUMFC-UHFFFAOYSA-N 1 2 224.279 2.427 20 30 BEEDLO C#CCOCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919151260 642304744 /nfs/dbraw/zinc/30/47/44/642304744.db2.gz QMGQPYOHGLNBPJ-UHFFFAOYSA-N 1 2 240.306 2.124 20 30 BEEDLO C=CC[N@@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000154994300 642347586 /nfs/dbraw/zinc/34/75/86/642347586.db2.gz OGIXDYKRWFJAHD-CYBMUJFWSA-N 1 2 230.311 2.035 20 30 BEEDLO C=CC[N@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000154994300 642347591 /nfs/dbraw/zinc/34/75/91/642347591.db2.gz OGIXDYKRWFJAHD-CYBMUJFWSA-N 1 2 230.311 2.035 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000070663238 642439352 /nfs/dbraw/zinc/43/93/52/642439352.db2.gz ZYEGAUSHTFNAMH-SNVBAGLBSA-N 1 2 206.314 2.484 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000070663238 642439360 /nfs/dbraw/zinc/43/93/60/642439360.db2.gz ZYEGAUSHTFNAMH-SNVBAGLBSA-N 1 2 206.314 2.484 20 30 BEEDLO O=C1c2ccccc2OC/C1=C/c1[nH]cc[nH+]1 ZINC000920241266 642464278 /nfs/dbraw/zinc/46/42/78/642464278.db2.gz PVMOLDJCCQLOPM-CLFYSBASSA-N 1 2 226.235 2.068 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1c(Cl)n[nH]c1CC ZINC000921756304 643774649 /nfs/dbraw/zinc/77/46/49/643774649.db2.gz IWZABZTUFFPXFY-UHFFFAOYSA-N 1 2 234.130 2.468 20 30 BEEDLO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccon1 ZINC000921809057 643800892 /nfs/dbraw/zinc/80/08/92/643800892.db2.gz GXJSGQRMZJAVGL-UHFFFAOYSA-N 1 2 241.294 2.453 20 30 BEEDLO CCCCCCCC(=O)NCCn1cc[nH+]c1 ZINC000192572140 644165458 /nfs/dbraw/zinc/16/54/58/644165458.db2.gz JDRFFIXTKYWCSG-UHFFFAOYSA-N 1 2 237.347 2.360 20 30 BEEDLO CCCCOCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000079829340 644214277 /nfs/dbraw/zinc/21/42/77/644214277.db2.gz CAIRMOGRQXEVFF-LBPRGKRZSA-N 1 2 210.321 2.039 20 30 BEEDLO CCCCOCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000079829340 644214270 /nfs/dbraw/zinc/21/42/70/644214270.db2.gz CAIRMOGRQXEVFF-LBPRGKRZSA-N 1 2 210.321 2.039 20 30 BEEDLO CC(C)(C)CCO[NH+]=C(N)Cc1cccnc1 ZINC000187183342 644477960 /nfs/dbraw/zinc/47/79/60/644477960.db2.gz BOYVRLMKXAZQAK-UHFFFAOYSA-N 1 2 235.331 2.349 20 30 BEEDLO C=C(Br)C[N@H+](C)CCOCC1CC1 ZINC000088616442 644524148 /nfs/dbraw/zinc/52/41/48/644524148.db2.gz ALBDBMYWBLZYCA-UHFFFAOYSA-N 1 2 248.164 2.253 20 30 BEEDLO C=C(Br)C[N@@H+](C)CCOCC1CC1 ZINC000088616442 644524150 /nfs/dbraw/zinc/52/41/50/644524150.db2.gz ALBDBMYWBLZYCA-UHFFFAOYSA-N 1 2 248.164 2.253 20 30 BEEDLO C=C(C)[C@H]1CC=C(C)C(=NNC2=[NH+][C@@H](C)CN2)C1 ZINC000779797749 644715405 /nfs/dbraw/zinc/71/54/05/644715405.db2.gz JAKJPZUOYWMGGZ-RYUDHWBXSA-N 1 2 246.358 2.212 20 30 BEEDLO C=C(C)[C@H]1CC=C(C)C(=NNC2=[NH+][C@H](C)CN2)C1 ZINC000779797746 644715779 /nfs/dbraw/zinc/71/57/79/644715779.db2.gz JAKJPZUOYWMGGZ-NEPJUHHUSA-N 1 2 246.358 2.212 20 30 BEEDLO C#CCCCCCC(=O)OCc1c[nH+]cn1C ZINC000780401927 644730284 /nfs/dbraw/zinc/73/02/84/644730284.db2.gz UPVDGQIWANTXDY-UHFFFAOYSA-N 1 2 234.299 2.047 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cnn3ccccc23)C1 ZINC000827650502 645083209 /nfs/dbraw/zinc/08/32/09/645083209.db2.gz QXNZZCUFSSKSMO-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000827650502 645083213 /nfs/dbraw/zinc/08/32/13/645083213.db2.gz QXNZZCUFSSKSMO-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO C#Cc1cccc(C[NH2+][C@@H](C)c2nonc2C)c1 ZINC000926551257 645273458 /nfs/dbraw/zinc/27/34/58/645273458.db2.gz RQYKUWJBGRHONN-JTQLQIEISA-N 1 2 241.294 2.210 20 30 BEEDLO COc1ccnc([C@@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000926626512 645320841 /nfs/dbraw/zinc/32/08/41/645320841.db2.gz IUUPSVSQDUDSPR-LLVKDONJSA-N 1 2 245.326 2.435 20 30 BEEDLO CC[C@@H](O)C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000926700012 645366969 /nfs/dbraw/zinc/36/69/69/645366969.db2.gz BXZBLSCNASQXNQ-DGCLKSJQSA-N 1 2 248.326 2.075 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000847018268 645415478 /nfs/dbraw/zinc/41/54/78/645415478.db2.gz IRDZCUCJWCIBLL-SNVBAGLBSA-N 1 2 247.367 2.261 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000847018268 645415480 /nfs/dbraw/zinc/41/54/80/645415480.db2.gz IRDZCUCJWCIBLL-SNVBAGLBSA-N 1 2 247.367 2.261 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)CCC ZINC000852425658 645478724 /nfs/dbraw/zinc/47/87/24/645478724.db2.gz XPKHJISBONBZTR-GFCCVEGCSA-N 1 2 239.359 2.452 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)CCC ZINC000852425658 645478733 /nfs/dbraw/zinc/47/87/33/645478733.db2.gz XPKHJISBONBZTR-GFCCVEGCSA-N 1 2 239.359 2.452 20 30 BEEDLO C#CCCCCCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000877459039 645796939 /nfs/dbraw/zinc/79/69/39/645796939.db2.gz GCPXAPUKEAXHHN-GFCCVEGCSA-N 1 2 245.313 2.272 20 30 BEEDLO C#CCCCCCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000877459039 645796946 /nfs/dbraw/zinc/79/69/46/645796946.db2.gz GCPXAPUKEAXHHN-GFCCVEGCSA-N 1 2 245.313 2.272 20 30 BEEDLO Cc1nonc1[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000924638908 646078287 /nfs/dbraw/zinc/07/82/87/646078287.db2.gz GYIQPMCCXGZTHV-VIFPVBQESA-N 1 2 242.282 2.101 20 30 BEEDLO Cc1cccc([C@@H](O)C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000929472716 646129998 /nfs/dbraw/zinc/12/99/98/646129998.db2.gz RGUNQROPEHPPPT-JSGCOSHPSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1cccc([C@@H](O)C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000929472716 646130002 /nfs/dbraw/zinc/13/00/02/646130002.db2.gz RGUNQROPEHPPPT-JSGCOSHPSA-N 1 2 232.327 2.120 20 30 BEEDLO C[C@@H](C#N)C[N@H+](CCc1ccns1)C1CC1 ZINC000930086305 646425681 /nfs/dbraw/zinc/42/56/81/646425681.db2.gz GXTNJVRJWWMLHZ-JTQLQIEISA-N 1 2 235.356 2.310 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](CCc1ccns1)C1CC1 ZINC000930086305 646425687 /nfs/dbraw/zinc/42/56/87/646425687.db2.gz GXTNJVRJWWMLHZ-JTQLQIEISA-N 1 2 235.356 2.310 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(C(C)C)o1 ZINC000700358839 711990873 /nfs/dbraw/zinc/99/08/73/711990873.db2.gz CACZENRMKJGYMT-GFCCVEGCSA-N 1 2 221.304 2.085 20 30 BEEDLO CC(=[NH+]NC1CC1)c1cc(F)c(N)c(F)c1 ZINC000378847503 712366122 /nfs/dbraw/zinc/36/61/22/712366122.db2.gz AWZNFDHGINOHKB-UHFFFAOYSA-N 1 2 225.242 2.023 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000847026825 712608278 /nfs/dbraw/zinc/60/82/78/712608278.db2.gz HNXXQQWGJIUCHO-NSHDSACASA-N 1 2 233.315 2.038 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000847026825 712608279 /nfs/dbraw/zinc/60/82/79/712608279.db2.gz HNXXQQWGJIUCHO-NSHDSACASA-N 1 2 233.315 2.038 20 30 BEEDLO C=CCC[N@@H+](C)Cc1c(F)cncc1F ZINC000930252714 712615980 /nfs/dbraw/zinc/61/59/80/712615980.db2.gz CKCUBRUCXJDSGD-UHFFFAOYSA-N 1 2 212.243 2.368 20 30 BEEDLO C=CCC[N@H+](C)Cc1c(F)cncc1F ZINC000930252714 712615983 /nfs/dbraw/zinc/61/59/83/712615983.db2.gz CKCUBRUCXJDSGD-UHFFFAOYSA-N 1 2 212.243 2.368 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC=CCC2)C1 ZINC001042466021 710784789 /nfs/dbraw/zinc/78/47/89/710784789.db2.gz FIFNTKUXVZXHSN-CYBMUJFWSA-N 1 2 248.370 2.061 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)C=C2CCCCC2)C1 ZINC001042516086 710789287 /nfs/dbraw/zinc/78/92/87/710789287.db2.gz FQGIOWYAGCSENB-UHFFFAOYSA-N 1 2 248.370 2.206 20 30 BEEDLO CC(C)C[N@H+](CCC#N)Cc1cncc(C#N)c1 ZINC000721596025 711656367 /nfs/dbraw/zinc/65/63/67/711656367.db2.gz GZSHTSJOOLWLLB-UHFFFAOYSA-N 1 2 242.326 2.325 20 30 BEEDLO CC(C)C[N@@H+](CCC#N)Cc1cncc(C#N)c1 ZINC000721596025 711656369 /nfs/dbraw/zinc/65/63/69/711656369.db2.gz GZSHTSJOOLWLLB-UHFFFAOYSA-N 1 2 242.326 2.325 20 30 BEEDLO CCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000082550696 711718659 /nfs/dbraw/zinc/71/86/59/711718659.db2.gz PGTWNPYRWQTUHV-UHFFFAOYSA-N 1 2 243.104 2.106 20 30 BEEDLO N#CCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000425959360 711763447 /nfs/dbraw/zinc/76/34/47/711763447.db2.gz JXQYRAIQCWBYKL-UHFFFAOYSA-N 1 2 244.273 2.015 20 30 BEEDLO CC#CCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000180090829 711886155 /nfs/dbraw/zinc/88/61/55/711886155.db2.gz DCAHIEICESHGHY-UHFFFAOYSA-N 1 2 243.314 2.017 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1ncc(CC)o1 ZINC000700348127 711990084 /nfs/dbraw/zinc/99/00/84/711990084.db2.gz WHNVXOUININWIC-GFCCVEGCSA-N 1 2 206.289 2.129 20 30 BEEDLO CCCN[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000378864227 712364764 /nfs/dbraw/zinc/36/47/64/712364764.db2.gz XBUKTOSXPWLVKW-UHFFFAOYSA-N 1 2 227.258 2.271 20 30 BEEDLO C[N@H+](CCC#N)C[C@H]1CCCC(C)(C)O1 ZINC000714357777 712484143 /nfs/dbraw/zinc/48/41/43/712484143.db2.gz QVQGQTPRQRIKHS-LLVKDONJSA-N 1 2 210.321 2.180 20 30 BEEDLO C[N@@H+](CCC#N)C[C@H]1CCCC(C)(C)O1 ZINC000714357777 712484144 /nfs/dbraw/zinc/48/41/44/712484144.db2.gz QVQGQTPRQRIKHS-LLVKDONJSA-N 1 2 210.321 2.180 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1ccc(Cl)cn1 ZINC000715832298 712533996 /nfs/dbraw/zinc/53/39/96/712533996.db2.gz YAPDWTFVYBFNSV-UHFFFAOYSA-N 1 2 223.707 2.374 20 30 BEEDLO C#CCON=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000812234791 712585763 /nfs/dbraw/zinc/58/57/63/712585763.db2.gz WBLWULHWYDSATM-UHFFFAOYSA-N 1 2 239.278 2.246 20 30 BEEDLO C#C[C@H](CC)Nc1nc(C)[nH+]c(C)c1C ZINC000380166133 712705025 /nfs/dbraw/zinc/70/50/25/712705025.db2.gz DRXSKNOQRDOPKB-LLVKDONJSA-N 1 2 203.289 2.226 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000932159963 712716748 /nfs/dbraw/zinc/71/67/48/712716748.db2.gz SYBHJMKDNZGKAP-GFCCVEGCSA-N 1 2 248.301 2.440 20 30 BEEDLO N#C[C@H]1CCC[N@H+](CCOc2cccc(F)c2)C1 ZINC000932159963 712716750 /nfs/dbraw/zinc/71/67/50/712716750.db2.gz SYBHJMKDNZGKAP-GFCCVEGCSA-N 1 2 248.301 2.440 20 30 BEEDLO CC[N@H+](CCc1ccns1)C[C@@H](C)C#N ZINC000719853260 712826201 /nfs/dbraw/zinc/82/62/01/712826201.db2.gz AFGNYAOCJVZNNN-JTQLQIEISA-N 1 2 223.345 2.167 20 30 BEEDLO CC[N@@H+](CCc1ccns1)C[C@@H](C)C#N ZINC000719853260 712826203 /nfs/dbraw/zinc/82/62/03/712826203.db2.gz AFGNYAOCJVZNNN-JTQLQIEISA-N 1 2 223.345 2.167 20 30 BEEDLO CCCCc1[nH]cc(CN2CC(CC#N)C2)[nH+]1 ZINC001141067022 960852425 /nfs/dbraw/zinc/85/24/25/960852425.db2.gz OUJRJCMSPXQZNM-UHFFFAOYSA-N 1 2 232.331 2.098 20 30 BEEDLO CCCCc1[nH]c(CN2CC(CC#N)C2)c[nH+]1 ZINC001141067022 960852433 /nfs/dbraw/zinc/85/24/33/960852433.db2.gz OUJRJCMSPXQZNM-UHFFFAOYSA-N 1 2 232.331 2.098 20 30 BEEDLO COc1cc(C[NH+]2CC(CC#N)C2)ccc1F ZINC001204554844 967045987 /nfs/dbraw/zinc/04/59/87/967045987.db2.gz KNIQCNHNGNZRRN-UHFFFAOYSA-N 1 2 234.274 2.180 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H]1COc2ccccc21 ZINC000070068967 1165912374 /nfs/dbraw/zinc/91/23/74/1165912374.db2.gz NXHIWEIXQNOCDW-JQWIXIFHSA-N 1 2 216.284 2.402 20 30 BEEDLO C[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000706740193 1166008139 /nfs/dbraw/zinc/00/81/39/1166008139.db2.gz WGDCLLOPMDOEBW-SECBINFHSA-N 1 2 204.248 2.292 20 30 BEEDLO C[C@@H]1CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000706740193 1166008148 /nfs/dbraw/zinc/00/81/48/1166008148.db2.gz WGDCLLOPMDOEBW-SECBINFHSA-N 1 2 204.248 2.292 20 30 BEEDLO C=CCC[C@@H](O)CNc1[nH+]cccc1OCC ZINC001252587802 968843440 /nfs/dbraw/zinc/84/34/40/968843440.db2.gz HRLBZHLQKIXGAG-LLVKDONJSA-N 1 2 236.315 2.219 20 30 BEEDLO CCCC[N@H+](CC#N)CC1(C)CCOCC1 ZINC001208076559 968981587 /nfs/dbraw/zinc/98/15/87/968981587.db2.gz JONFMXQBGOSHQM-UHFFFAOYSA-N 1 2 224.348 2.429 20 30 BEEDLO CCCC[N@@H+](CC#N)CC1(C)CCOCC1 ZINC001208076559 968981600 /nfs/dbraw/zinc/98/16/00/968981600.db2.gz JONFMXQBGOSHQM-UHFFFAOYSA-N 1 2 224.348 2.429 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@H](F)C2)C1 ZINC001254660223 969772079 /nfs/dbraw/zinc/77/20/79/969772079.db2.gz GTLKRZADEJZHMY-KXUCPTDWSA-N 1 2 232.249 2.358 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)[C@H](F)C2)C1 ZINC001254660223 969772084 /nfs/dbraw/zinc/77/20/84/969772084.db2.gz GTLKRZADEJZHMY-KXUCPTDWSA-N 1 2 232.249 2.358 20 30 BEEDLO C[C@H](C#N)[N@H+](C)CC1C[C@@H](C)O[C@H](C)C1 ZINC000724864657 1166535790 /nfs/dbraw/zinc/53/57/90/1166535790.db2.gz UCXDEOSBXSVFBN-GMTAPVOTSA-N 1 2 210.321 2.034 20 30 BEEDLO C[C@H](C#N)[N@@H+](C)CC1C[C@@H](C)O[C@H](C)C1 ZINC000724864657 1166535799 /nfs/dbraw/zinc/53/57/99/1166535799.db2.gz UCXDEOSBXSVFBN-GMTAPVOTSA-N 1 2 210.321 2.034 20 30 BEEDLO C[C@@H](CC(F)(F)F)[N@@H+]1CC[C@H](C#N)C1 ZINC001255656623 970433583 /nfs/dbraw/zinc/43/35/83/970433583.db2.gz XXOQXZYYVORNMA-JGVFFNPUSA-N 1 2 206.211 2.173 20 30 BEEDLO C[C@@H](CC(F)(F)F)[N@H+]1CC[C@H](C#N)C1 ZINC001255656623 970433590 /nfs/dbraw/zinc/43/35/90/970433590.db2.gz XXOQXZYYVORNMA-JGVFFNPUSA-N 1 2 206.211 2.173 20 30 BEEDLO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C(C)(C)C#N)C1 ZINC001173625716 975485580 /nfs/dbraw/zinc/48/55/80/975485580.db2.gz DYCROXWVCMCGNH-WDEREUQCSA-N 1 2 238.331 2.000 20 30 BEEDLO C=CC[C@@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC001333366468 975713273 /nfs/dbraw/zinc/71/32/73/975713273.db2.gz ZABCNEGTJCYZEO-SNVBAGLBSA-N 1 2 234.299 2.104 20 30 BEEDLO C#CC[N@@H+](Cc1occc1C)C1CSC1 ZINC000895813547 1167257338 /nfs/dbraw/zinc/25/73/38/1167257338.db2.gz CHWHNQDANQTLCT-UHFFFAOYSA-N 1 2 221.325 2.139 20 30 BEEDLO C#CC[N@H+](Cc1occc1C)C1CSC1 ZINC000895813547 1167257344 /nfs/dbraw/zinc/25/73/44/1167257344.db2.gz CHWHNQDANQTLCT-UHFFFAOYSA-N 1 2 221.325 2.139 20 30 BEEDLO C=CCC[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001120734230 1167694884 /nfs/dbraw/zinc/69/48/84/1167694884.db2.gz VGTQCHFQAUBIJX-ZDUSSCGKSA-N 1 2 247.342 2.230 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(C)c(O)c1 ZINC001233233874 1167709230 /nfs/dbraw/zinc/70/92/30/1167709230.db2.gz TVSNUDXTRMBSIH-UHFFFAOYSA-N 1 2 218.300 2.436 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(C)c(O)c1 ZINC001233233874 1167709234 /nfs/dbraw/zinc/70/92/34/1167709234.db2.gz TVSNUDXTRMBSIH-UHFFFAOYSA-N 1 2 218.300 2.436 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cc2cnccc2o1 ZINC001179479691 978709957 /nfs/dbraw/zinc/70/99/57/978709957.db2.gz QKPFOZOOFUQTRK-VIFPVBQESA-N 1 2 215.256 2.220 20 30 BEEDLO Cc1cc(F)cc(C[N@H+](C)CCC#N)c1O ZINC001238056316 980132077 /nfs/dbraw/zinc/13/20/77/980132077.db2.gz GVSLFHWGCDJMII-UHFFFAOYSA-N 1 2 222.263 2.185 20 30 BEEDLO Cc1cc(F)cc(C[N@@H+](C)CCC#N)c1O ZINC001238056316 980132084 /nfs/dbraw/zinc/13/20/84/980132084.db2.gz GVSLFHWGCDJMII-UHFFFAOYSA-N 1 2 222.263 2.185 20 30 BEEDLO Cc1ccc(O)cc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001238107028 980149148 /nfs/dbraw/zinc/14/91/48/980149148.db2.gz PIXPGWBHBDOSKJ-LLVKDONJSA-N 1 2 216.284 2.046 20 30 BEEDLO Cc1ccc(O)cc1C[N@H+]1CC[C@H](C#N)C1 ZINC001238107028 980149154 /nfs/dbraw/zinc/14/91/54/980149154.db2.gz PIXPGWBHBDOSKJ-LLVKDONJSA-N 1 2 216.284 2.046 20 30 BEEDLO C=CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001136802377 1168631658 /nfs/dbraw/zinc/63/16/58/1168631658.db2.gz UBDSSAQAVYUHLU-VIFPVBQESA-N 1 2 229.283 2.257 20 30 BEEDLO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1noc(C)n1 ZINC001193238287 981277536 /nfs/dbraw/zinc/27/75/36/981277536.db2.gz IJNYFVXYFPLDDD-MXWKQRLJSA-N 1 2 234.303 2.111 20 30 BEEDLO CC[C@@H](C)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201503207 983270521 /nfs/dbraw/zinc/27/05/21/983270521.db2.gz QVNGWPWQOZXDKT-KOLCDFICSA-N 1 2 225.357 2.307 20 30 BEEDLO CC[C@@H](C)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201503207 983270529 /nfs/dbraw/zinc/27/05/29/983270529.db2.gz QVNGWPWQOZXDKT-KOLCDFICSA-N 1 2 225.357 2.307 20 30 BEEDLO CC[C@@H](C)C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201503208 983273903 /nfs/dbraw/zinc/27/39/03/983273903.db2.gz QVNGWPWQOZXDKT-MWLCHTKSSA-N 1 2 225.357 2.307 20 30 BEEDLO CC[C@@H](C)C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201503208 983273913 /nfs/dbraw/zinc/27/39/13/983273913.db2.gz QVNGWPWQOZXDKT-MWLCHTKSSA-N 1 2 225.357 2.307 20 30 BEEDLO CC[C@@H](CC(C)C)[NH2+]C1(C#N)CCOCC1 ZINC001172394253 974746589 /nfs/dbraw/zinc/74/65/89/974746589.db2.gz PONGAFGHONTHMO-LBPRGKRZSA-N 1 2 224.348 2.473 20 30 BEEDLO C[N@H+](Cc1ccno1)Cc1cc(F)cc(C#N)c1 ZINC001139878442 1169367318 /nfs/dbraw/zinc/36/73/18/1169367318.db2.gz LNUTYENEGUIWHI-UHFFFAOYSA-N 1 2 245.257 2.317 20 30 BEEDLO C[N@@H+](Cc1ccno1)Cc1cc(F)cc(C#N)c1 ZINC001139878442 1169367321 /nfs/dbraw/zinc/36/73/21/1169367321.db2.gz LNUTYENEGUIWHI-UHFFFAOYSA-N 1 2 245.257 2.317 20 30 BEEDLO N#Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001139877557 1169367547 /nfs/dbraw/zinc/36/75/47/1169367547.db2.gz NYJZCBQHWMFOLH-UBHSHLNASA-N 1 2 248.276 2.487 20 30 BEEDLO N#Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001139877557 1169367554 /nfs/dbraw/zinc/36/75/54/1169367554.db2.gz NYJZCBQHWMFOLH-UBHSHLNASA-N 1 2 248.276 2.487 20 30 BEEDLO C=C[C@H](OC1C[NH+](C)C1)c1ccccc1 ZINC001223308931 972930069 /nfs/dbraw/zinc/93/00/69/972930069.db2.gz MSGDAKBHBHYAMR-ZDUSSCGKSA-N 1 2 203.285 2.244 20 30 BEEDLO Cc1nc(NCC#Cc2ccccc2)cc[nH+]1 ZINC001170427226 970792280 /nfs/dbraw/zinc/79/22/80/970792280.db2.gz IKRGWHPCRXPDME-UHFFFAOYSA-N 1 2 223.279 2.249 20 30 BEEDLO CC1=CC[C@@H](CCN2CC[NH2+]C[C@@H]2C#N)C1(C)C ZINC001210123104 1169518459 /nfs/dbraw/zinc/51/84/59/1169518459.db2.gz YUNNANLJPVHRMQ-KBPBESRZSA-N 1 2 247.386 2.166 20 30 BEEDLO CCC[C@H](CC)[NH2+][C@@H](CS)C(=O)OCC ZINC001257244540 971139261 /nfs/dbraw/zinc/13/92/61/971139261.db2.gz QTOOVCCQMKQWCP-UWVGGRQHSA-N 1 2 233.377 2.016 20 30 BEEDLO Cc1c[nH+]c(C)c(Nc2nnccc2C#N)c1 ZINC000404497988 971172497 /nfs/dbraw/zinc/17/24/97/971172497.db2.gz WSENVHZGKBDFEV-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCCCC1)C(=O)OCC ZINC001257452346 971370624 /nfs/dbraw/zinc/37/06/24/971370624.db2.gz QZYZUYORHRERPH-BXUZGUMPSA-N 1 2 237.343 2.417 20 30 BEEDLO CCCCC[C@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001257500164 971417588 /nfs/dbraw/zinc/41/75/88/971417588.db2.gz LOYGDDMIKAHPNP-QWRGUYRKSA-N 1 2 247.404 2.406 20 30 BEEDLO COc1cc2c(cc1C[NH2+]CCC#N)O[C@@H](C)C2 ZINC000105772545 971491468 /nfs/dbraw/zinc/49/14/68/971491468.db2.gz HOEMSNRWXJGFNL-JTQLQIEISA-N 1 2 246.310 2.022 20 30 BEEDLO C=C1C[C@@H]2CC([NH+]3CC(F)(CO)C3)C[C@H](C1)C2 ZINC001257891758 971522310 /nfs/dbraw/zinc/52/23/10/971522310.db2.gz OFPBLRDTGAUNMO-FUNVUKJBSA-N 1 2 239.334 2.138 20 30 BEEDLO Cn1ncc(C=[NH+]Nc2ccc(Cl)cc2)c1N ZINC000814683832 971730980 /nfs/dbraw/zinc/73/09/80/971730980.db2.gz RMXWYNWMPCLLOW-UHFFFAOYSA-N 1 2 249.705 2.102 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1CCCOCC1 ZINC001170775601 971799122 /nfs/dbraw/zinc/79/91/22/971799122.db2.gz LZUIQPIFXVSTRW-RYUDHWBXSA-N 1 2 210.321 2.083 20 30 BEEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@H]1CCCOCC1 ZINC001170801506 971845876 /nfs/dbraw/zinc/84/58/76/971845876.db2.gz WLUVRUUKPCQLLD-STQMWFEESA-N 1 2 224.348 2.473 20 30 BEEDLO COc1c[nH+]c(NCCCS)c(C)c1 ZINC001159870235 972157826 /nfs/dbraw/zinc/15/78/26/972157826.db2.gz ONWRBBLIBQCETM-UHFFFAOYSA-N 1 2 212.318 2.130 20 30 BEEDLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000705284467 957074633 /nfs/dbraw/zinc/07/46/33/957074633.db2.gz CCXILWNJJAXNEC-IINYFYTJSA-N 1 2 248.301 2.043 20 30 BEEDLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000705284467 957074655 /nfs/dbraw/zinc/07/46/55/957074655.db2.gz CCXILWNJJAXNEC-IINYFYTJSA-N 1 2 248.301 2.043 20 30 BEEDLO CCCCCCCN1CC[NH2+]CC(F)(F)C1 ZINC001210814813 957911362 /nfs/dbraw/zinc/91/13/62/957911362.db2.gz KLLQWDNOFSVVBD-UHFFFAOYSA-N 1 2 234.334 2.497 20 30 BEEDLO Cc1ccc([NH+]=C(NO)c2ccccc2N)nc1 ZINC001211012570 957986930 /nfs/dbraw/zinc/98/69/30/957986930.db2.gz JQSNXZWBRSWIRG-UHFFFAOYSA-N 1 2 242.282 2.029 20 30 BEEDLO C#CCC1([NH2+][C@@H](CCCC)C(=O)OC)CCC1 ZINC000933300712 958346790 /nfs/dbraw/zinc/34/67/90/958346790.db2.gz CENANBXLBUCMRY-LBPRGKRZSA-N 1 2 237.343 2.254 20 30 BEEDLO C=CCCCC(=O)NCC[N@@H+](C)CC(=C)Cl ZINC001480905965 958659166 /nfs/dbraw/zinc/65/91/66/958659166.db2.gz HBGGJBVIYQHZIP-UHFFFAOYSA-N 1 2 244.766 2.143 20 30 BEEDLO C=CCCCC(=O)NCC[N@H+](C)CC(=C)Cl ZINC001480905965 958659183 /nfs/dbraw/zinc/65/91/83/958659183.db2.gz HBGGJBVIYQHZIP-UHFFFAOYSA-N 1 2 244.766 2.143 20 30 BEEDLO C[C@@H]([NH2+]C#C[Si](C)(C)C)c1ncc(F)cn1 ZINC001171114402 972373485 /nfs/dbraw/zinc/37/34/85/972373485.db2.gz QUHCDKAJFMAUJS-SECBINFHSA-N 1 2 237.354 2.105 20 30 BEEDLO N#C[C@H](OCCn1cc[nH+]c1)c1ccccc1 ZINC001222134865 972383165 /nfs/dbraw/zinc/38/31/65/972383165.db2.gz QNFANCQLLKHVHK-ZDUSSCGKSA-N 1 2 227.267 2.165 20 30 BEEDLO C=CC[N@@H+](C)Cc1c(O)cc(F)cc1F ZINC001140583509 959015239 /nfs/dbraw/zinc/01/52/39/959015239.db2.gz JDEJOSQZCKMEJD-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO C=CC[N@H+](C)Cc1c(O)cc(F)cc1F ZINC001140583509 959015259 /nfs/dbraw/zinc/01/52/59/959015259.db2.gz JDEJOSQZCKMEJD-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(OC)c(F)c1F ZINC001143914956 972409109 /nfs/dbraw/zinc/40/91/09/972409109.db2.gz NTIYGPUDQLGCEW-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(OC)c(F)c1F ZINC001143914956 972409120 /nfs/dbraw/zinc/40/91/20/972409120.db2.gz NTIYGPUDQLGCEW-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO C=CC[C@@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001144017366 972481797 /nfs/dbraw/zinc/48/17/97/972481797.db2.gz KVNXTHIBKHIHPC-LLVKDONJSA-N 1 2 247.342 2.328 20 30 BEEDLO C=CC[C@@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001144017366 972481799 /nfs/dbraw/zinc/48/17/99/972481799.db2.gz KVNXTHIBKHIHPC-LLVKDONJSA-N 1 2 247.342 2.328 20 30 BEEDLO CCCCN(CC#N)Cc1ccn2cc[nH+]c2c1 ZINC001141046811 960836372 /nfs/dbraw/zinc/83/63/72/960836372.db2.gz QETVTSAQVBZOON-UHFFFAOYSA-N 1 2 242.326 2.460 20 30 BEEDLO C[C@@]1(C#N)CCN(Cc2ccn3cc[nH+]c3c2)C1 ZINC001141049981 960841028 /nfs/dbraw/zinc/84/10/28/960841028.db2.gz VUFNBYXUCILKGU-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccn3ccnc3c2)C1 ZINC001141049981 960841031 /nfs/dbraw/zinc/84/10/31/960841031.db2.gz VUFNBYXUCILKGU-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccn3ccnc3c2)C1 ZINC001141049981 960841041 /nfs/dbraw/zinc/84/10/41/960841041.db2.gz VUFNBYXUCILKGU-AWEZNQCLSA-N 1 2 240.310 2.070 20 30 BEEDLO CO[C@@H](C)C1C[NH+](Cc2ccc(F)cc2C#N)C1 ZINC001141167330 960904089 /nfs/dbraw/zinc/90/40/89/960904089.db2.gz HKEWFELTQPOCII-JTQLQIEISA-N 1 2 248.301 2.164 20 30 BEEDLO N#Cc1ccnc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204951750 962169402 /nfs/dbraw/zinc/16/94/02/962169402.db2.gz ZDJHHRNUKQBLJN-UHFFFAOYSA-N 1 2 235.250 2.345 20 30 BEEDLO N#CCc1cc[nH+]c(NCC2(F)CCOCC2)c1 ZINC001157351583 963578365 /nfs/dbraw/zinc/57/83/65/963578365.db2.gz WOSDNEBRZJGUBD-UHFFFAOYSA-N 1 2 249.289 2.078 20 30 BEEDLO C[C@H]1C[C@@H]([NH2+]C2(C#N)CCCCC2)CCO1 ZINC001168078223 963621735 /nfs/dbraw/zinc/62/17/35/963621735.db2.gz LUBKKIFFILVSGR-RYUDHWBXSA-N 1 2 222.332 2.370 20 30 BEEDLO C#CCN(CC#C)c1ccc(C(C)(C)C)c[nH+]1 ZINC001157564481 963665168 /nfs/dbraw/zinc/66/51/68/963665168.db2.gz ZRTHWJBAFZDJNR-UHFFFAOYSA-N 1 2 226.323 2.452 20 30 BEEDLO CC1(C)C[C@H](CNc2cc(CC#N)cc[nH+]2)O1 ZINC001157660662 963695673 /nfs/dbraw/zinc/69/56/73/963695673.db2.gz MLSRZOJJSIZZLU-LLVKDONJSA-N 1 2 231.299 2.127 20 30 BEEDLO CCCC[N@H+](CC#N)[C@@H]1CCO[C@H](C)C1 ZINC001168139636 963841306 /nfs/dbraw/zinc/84/13/06/963841306.db2.gz UXHZRFGXGYJETA-VXGBXAGGSA-N 1 2 210.321 2.180 20 30 BEEDLO CCCC[N@@H+](CC#N)[C@@H]1CCO[C@H](C)C1 ZINC001168139636 963841309 /nfs/dbraw/zinc/84/13/09/963841309.db2.gz UXHZRFGXGYJETA-VXGBXAGGSA-N 1 2 210.321 2.180 20 30 BEEDLO C=C[C@@H](CO)Nc1cc(C)[nH+]c(C(C)(C)C)n1 ZINC001158817976 963933820 /nfs/dbraw/zinc/93/38/20/963933820.db2.gz PLSICZIDPRGVSX-JTQLQIEISA-N 1 2 235.331 2.041 20 30 BEEDLO Cc1cc(C)c(Nc2ccncc2C#N)c[nH+]1 ZINC001214004636 964921070 /nfs/dbraw/zinc/92/10/70/964921070.db2.gz LOGWIWFFVFSGFW-UHFFFAOYSA-N 1 2 224.267 2.131 20 30 BEEDLO C#Cc1cc(Nc2ccncc2Cl)cc[nH+]1 ZINC001212147102 965075718 /nfs/dbraw/zinc/07/57/18/965075718.db2.gz ZBHODCXUDHUYCX-UHFFFAOYSA-N 1 2 229.670 2.277 20 30 BEEDLO CC#CCNc1cc(CC)[nH+]c(CC)n1 ZINC001162960577 965216058 /nfs/dbraw/zinc/21/60/58/965216058.db2.gz UCCRXKZZKVDKPS-UHFFFAOYSA-N 1 2 203.289 2.037 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001030366116 965243905 /nfs/dbraw/zinc/24/39/05/965243905.db2.gz PISZJHASDDHGHJ-OAHLLOKOSA-N 1 2 248.370 2.109 20 30 BEEDLO N#Cc1cccnc1NCc1ccc2[nH+]ccn2c1 ZINC001163136425 965261562 /nfs/dbraw/zinc/26/15/62/965261562.db2.gz GUECPLRBYVWHLW-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO C[C@H](Nc1cc(CC#N)cc[nH+]1)c1ccno1 ZINC001163212635 965303815 /nfs/dbraw/zinc/30/38/15/965303815.db2.gz IFULBWJNRAZFPV-VIFPVBQESA-N 1 2 228.255 2.309 20 30 BEEDLO C#CCNc1cc2ccc(OC)cc2c[nH+]1 ZINC001163362901 965366370 /nfs/dbraw/zinc/36/63/70/965366370.db2.gz BNVTZEHBJWTEPV-UHFFFAOYSA-N 1 2 212.252 2.289 20 30 BEEDLO O=C1C=C(Nc2ccn3cc[nH+]c3c2)CCC1 ZINC001163454056 965407613 /nfs/dbraw/zinc/40/76/13/965407613.db2.gz HLNYCCAGWRIEKW-UHFFFAOYSA-N 1 2 227.267 2.383 20 30 BEEDLO Cc1nc2c(ccn2C)c(NCCCCC#N)[nH+]1 ZINC001168426828 965448215 /nfs/dbraw/zinc/44/82/15/965448215.db2.gz FFBNQRVLZHADEK-UHFFFAOYSA-N 1 2 243.314 2.383 20 30 BEEDLO Cc1[nH+]c(N2CCCC(=O)CC2)ccc1CC#N ZINC001165465466 966102948 /nfs/dbraw/zinc/10/29/48/966102948.db2.gz LRYOJQDBFHWLHA-UHFFFAOYSA-N 1 2 243.310 2.016 20 30 BEEDLO CC1=CC[C@H](CC[N@@H+]2CCN[C@H](C#N)C2)C1(C)C ZINC001235914383 966166275 /nfs/dbraw/zinc/16/62/75/966166275.db2.gz UIJZNAYRIRYWIN-ZIAGYGMSSA-N 1 2 247.386 2.166 20 30 BEEDLO CC1=CC[C@H](CC[N@H+]2CCN[C@H](C#N)C2)C1(C)C ZINC001235914383 966166294 /nfs/dbraw/zinc/16/62/94/966166294.db2.gz UIJZNAYRIRYWIN-ZIAGYGMSSA-N 1 2 247.386 2.166 20 30 BEEDLO C#C[C@H]1CCCN(c2cc(COC)cc[nH+]2)C1 ZINC001167005659 966516472 /nfs/dbraw/zinc/51/64/72/966516472.db2.gz FMQWWNMUDRRQFJ-LBPRGKRZSA-N 1 2 230.311 2.078 20 30 BEEDLO C#Cc1cc(Nc2ccc(C)[nH+]c2C)ccn1 ZINC001203363574 966614616 /nfs/dbraw/zinc/61/46/16/966614616.db2.gz VUEKSTPTLONARW-UHFFFAOYSA-N 1 2 223.279 2.240 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cccc(Cl)c1N ZINC001203521543 966673404 /nfs/dbraw/zinc/67/34/04/966673404.db2.gz HADYRLHEDYLUDR-MRVPVSSYSA-N 1 2 223.707 2.314 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCC(=O)[C@H](F)CC2)cc1 ZINC001203899778 966817790 /nfs/dbraw/zinc/81/77/90/966817790.db2.gz BFRHCYWTTMNHOK-CYBMUJFWSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCC(=O)[C@H](F)CC2)cc1 ZINC001203899778 966817796 /nfs/dbraw/zinc/81/77/96/966817796.db2.gz BFRHCYWTTMNHOK-CYBMUJFWSA-N 1 2 246.285 2.061 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001204368187 966982184 /nfs/dbraw/zinc/98/21/84/966982184.db2.gz KSBGXPVXXCMPJF-MELADBBJSA-N 1 2 230.286 2.348 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001204368187 966982174 /nfs/dbraw/zinc/98/21/74/966982174.db2.gz KSBGXPVXXCMPJF-MELADBBJSA-N 1 2 230.286 2.348 20 30 BEEDLO C#Cc1cc(Nc2ccc(N)cc2Cl)cc[nH+]1 ZINC001249729572 967040569 /nfs/dbraw/zinc/04/05/69/967040569.db2.gz SJSRULWKMNSLRJ-UHFFFAOYSA-N 1 2 243.697 2.464 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2nccs2)CC1 ZINC001204548111 967051163 /nfs/dbraw/zinc/05/11/63/967051163.db2.gz YBBRDKVNDVJYBI-JTQLQIEISA-N 1 2 221.329 2.269 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2nccs2)CC1 ZINC001204548111 967051176 /nfs/dbraw/zinc/05/11/76/967051176.db2.gz YBBRDKVNDVJYBI-JTQLQIEISA-N 1 2 221.329 2.269 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000094680085 967065359 /nfs/dbraw/zinc/06/53/59/967065359.db2.gz SXRSWRPPHUVFNV-LBPRGKRZSA-N 1 2 216.284 2.128 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000094680085 967065370 /nfs/dbraw/zinc/06/53/70/967065370.db2.gz SXRSWRPPHUVFNV-LBPRGKRZSA-N 1 2 216.284 2.128 20 30 BEEDLO Cc1[nH+]c[nH]c1CN(CC#N)Cc1ccccc1 ZINC001204590109 967079767 /nfs/dbraw/zinc/07/97/67/967079767.db2.gz NOZHRBNFURBRDK-UHFFFAOYSA-N 1 2 240.310 2.244 20 30 BEEDLO C#Cc1cccnc1Nc1ccn2cc[nH+]c2c1 ZINC001204951481 967250770 /nfs/dbraw/zinc/25/07/70/967250770.db2.gz UGKXBFOZNAWNSK-UHFFFAOYSA-N 1 2 234.262 2.454 20 30 BEEDLO N#Cc1ccncc1Nc1ccn2cc[nH+]c2c1 ZINC001204959680 967259597 /nfs/dbraw/zinc/25/95/97/967259597.db2.gz UBTLGUBLCLSPHM-UHFFFAOYSA-N 1 2 235.250 2.345 20 30 BEEDLO C=CCN1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC001205187082 967416384 /nfs/dbraw/zinc/41/63/84/967416384.db2.gz MGDPIPFONNFRAR-UHFFFAOYSA-N 1 2 248.345 2.438 20 30 BEEDLO N#CCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001143189032 967811505 /nfs/dbraw/zinc/81/15/05/967811505.db2.gz YWYRTDYNLWCOQQ-UHFFFAOYSA-N 1 2 240.266 2.115 20 30 BEEDLO C#Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205831076 967842151 /nfs/dbraw/zinc/84/21/51/967842151.db2.gz WEZHZHNVCQESLI-XJKSGUPXSA-N 1 2 242.366 2.227 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207097432 968630193 /nfs/dbraw/zinc/63/01/93/968630193.db2.gz QGYNACOKGAYBQX-SNVBAGLBSA-N 1 2 236.265 2.205 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207097432 968630196 /nfs/dbraw/zinc/63/01/96/968630196.db2.gz QGYNACOKGAYBQX-SNVBAGLBSA-N 1 2 236.265 2.205 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1cc(C#N)n(C)c1 ZINC001207106609 968634071 /nfs/dbraw/zinc/63/40/71/968634071.db2.gz OHTKRAARUSKSJH-UHFFFAOYSA-N 1 2 230.315 2.022 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1cc(C#N)n(C)c1 ZINC001207106609 968634075 /nfs/dbraw/zinc/63/40/75/968634075.db2.gz OHTKRAARUSKSJH-UHFFFAOYSA-N 1 2 230.315 2.022 20 30 BEEDLO CC(F)(F)CNc1cc(CC#N)cc[nH+]1 ZINC001154857991 968697508 /nfs/dbraw/zinc/69/75/08/968697508.db2.gz DHJJOULOYJHEEY-UHFFFAOYSA-N 1 2 211.215 2.215 20 30 BEEDLO C[C@@H](C#N)[N@H+](C)C[C@@H]1CCOC(C)(C)C1 ZINC001207365547 968740187 /nfs/dbraw/zinc/74/01/87/968740187.db2.gz MAGIVTKFJFWIPN-WDEREUQCSA-N 1 2 210.321 2.035 20 30 BEEDLO C[C@@H](C#N)[N@@H+](C)C[C@@H]1CCOC(C)(C)C1 ZINC001207365547 968740198 /nfs/dbraw/zinc/74/01/98/968740198.db2.gz MAGIVTKFJFWIPN-WDEREUQCSA-N 1 2 210.321 2.035 20 30 BEEDLO C=C[C@H](O)CNc1ccc([NH+]2CCCC2)cc1 ZINC001253565702 969238075 /nfs/dbraw/zinc/23/80/75/969238075.db2.gz RXDHXVWMLNHOAB-AWEZNQCLSA-N 1 2 232.327 2.246 20 30 BEEDLO C=C[C@H](O)CNc1cc[nH+]c(OCCCC)c1 ZINC001253574153 969247365 /nfs/dbraw/zinc/24/73/65/969247365.db2.gz UREXKVOQHNLTNF-LBPRGKRZSA-N 1 2 236.315 2.219 20 30 BEEDLO N#C[C@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC001209244140 969415290 /nfs/dbraw/zinc/41/52/90/969415290.db2.gz QHFBZJDSQULXFV-LLVKDONJSA-N 1 2 236.265 2.353 20 30 BEEDLO N#C[C@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC001209244140 969415291 /nfs/dbraw/zinc/41/52/91/969415291.db2.gz QHFBZJDSQULXFV-LLVKDONJSA-N 1 2 236.265 2.353 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+]1CC1Cc2ccccc2C1 ZINC001209319488 969442593 /nfs/dbraw/zinc/44/25/93/969442593.db2.gz HJKHLUXURRAIDG-HNNXBMFYSA-N 1 2 226.323 2.389 20 30 BEEDLO N#C[C@@H]1CCC[N@H+]1CC1Cc2ccccc2C1 ZINC001209319488 969442595 /nfs/dbraw/zinc/44/25/95/969442595.db2.gz HJKHLUXURRAIDG-HNNXBMFYSA-N 1 2 226.323 2.389 20 30 BEEDLO C[C@H](C#N)[N@H+](C)CC1Cc2ccccc2C1 ZINC001209323034 969444764 /nfs/dbraw/zinc/44/47/64/969444764.db2.gz LDCACYPHVKOPID-LLVKDONJSA-N 1 2 214.312 2.245 20 30 BEEDLO C[C@H](C#N)[N@@H+](C)CC1Cc2ccccc2C1 ZINC001209323034 969444768 /nfs/dbraw/zinc/44/47/68/969444768.db2.gz LDCACYPHVKOPID-LLVKDONJSA-N 1 2 214.312 2.245 20 30 BEEDLO CCCC[N@H+](CCC#N)Cc1c[nH]nc1C ZINC001209555929 969543449 /nfs/dbraw/zinc/54/34/49/969543449.db2.gz MYHFFXVHNQKXCZ-UHFFFAOYSA-N 1 2 220.320 2.234 20 30 BEEDLO CCCC[N@@H+](CCC#N)Cc1c[nH]nc1C ZINC001209555929 969543454 /nfs/dbraw/zinc/54/34/54/969543454.db2.gz MYHFFXVHNQKXCZ-UHFFFAOYSA-N 1 2 220.320 2.234 20 30 BEEDLO N#CCc1cc[nH+]c(NCCn2cccc2)c1 ZINC001156299880 969615499 /nfs/dbraw/zinc/61/54/99/969615499.db2.gz VUJYIIZGKIBDAT-UHFFFAOYSA-N 1 2 226.283 2.061 20 30 BEEDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCC#N ZINC001254550383 969736407 /nfs/dbraw/zinc/73/64/07/969736407.db2.gz IQAHVZLWWVGDHJ-NSHDSACASA-N 1 2 247.298 2.371 20 30 BEEDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCC#N ZINC001254550383 969736412 /nfs/dbraw/zinc/73/64/12/969736412.db2.gz IQAHVZLWWVGDHJ-NSHDSACASA-N 1 2 247.298 2.371 20 30 BEEDLO C#Cc1cc(Nc2ccc(O)c(C)c2)cc[nH+]1 ZINC001209975424 969743732 /nfs/dbraw/zinc/74/37/32/969743732.db2.gz UNANFYNVWWUOCI-UHFFFAOYSA-N 1 2 224.263 2.242 20 30 BEEDLO Cc1cc(-n2ccc(C#N)c2N)ccc1[NH+](C)C ZINC001210041984 969774039 /nfs/dbraw/zinc/77/40/39/969774039.db2.gz BBPDVBGCRGTYLI-UHFFFAOYSA-N 1 2 240.310 2.306 20 30 BEEDLO COc1cc(Nc2cncc(C#N)c2)cc(C)[nH+]1 ZINC001210084476 969791977 /nfs/dbraw/zinc/79/19/77/969791977.db2.gz HHFGLSRPHUBCGN-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO C#C[C@](C)(CC)Nc1ccn2cc(N)[nH+]c2c1 ZINC001169697931 969816434 /nfs/dbraw/zinc/81/64/34/969816434.db2.gz OOVINSKMQDBKLE-CYBMUJFWSA-N 1 2 228.299 2.130 20 30 BEEDLO COc1cc[nH+]c(Nc2cnc(C#N)c(C)c2)c1 ZINC001210200955 969830146 /nfs/dbraw/zinc/83/01/46/969830146.db2.gz HAQAWNNHSRLCRD-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO C=C1CC=C(F)C=C1[NH2+]C1CCOCC1 ZINC001255036127 969850250 /nfs/dbraw/zinc/85/02/50/969850250.db2.gz UTJBJIJDNUYEJP-UHFFFAOYSA-N 1 2 209.264 2.452 20 30 BEEDLO C=C[C@@H](CO)Nc1cc(-c2ccncc2)cc[nH+]1 ZINC001169780091 969853903 /nfs/dbraw/zinc/85/39/03/969853903.db2.gz LKFBYSXJSOXICK-ZDUSSCGKSA-N 1 2 241.294 2.102 20 30 BEEDLO Cc1ncc(C#N)cc1Nc1c[nH+]c(C)c(N)c1 ZINC001210286846 969854890 /nfs/dbraw/zinc/85/48/90/969854890.db2.gz DBIRNCGLIMLYBQ-UHFFFAOYSA-N 1 2 239.282 2.291 20 30 BEEDLO Cc1[nH+]cc(Nc2c(C#N)cccc2C#N)cc1N ZINC001210288936 969857370 /nfs/dbraw/zinc/85/73/70/969857370.db2.gz XJDNJMLLBDZENQ-UHFFFAOYSA-N 1 2 249.277 2.459 20 30 BEEDLO Cc1cc(Nc2c[nH+]c(C)c(N)c2)cnc1C#N ZINC001210289019 969857859 /nfs/dbraw/zinc/85/78/59/969857859.db2.gz QPORXZIBODDOSL-UHFFFAOYSA-N 1 2 239.282 2.291 20 30 BEEDLO CC1(C)CC(=O)C=C(Nc2ccc(N)[nH+]c2)C1 ZINC001169951629 969890578 /nfs/dbraw/zinc/89/05/78/969890578.db2.gz OCKIVARMHHTEQA-UHFFFAOYSA-N 1 2 231.299 2.349 20 30 BEEDLO C#Cc1cc(Nc2ccc3ocnc3c2)cc[nH+]1 ZINC001210570099 969943324 /nfs/dbraw/zinc/94/33/24/969943324.db2.gz LUBHWQVRADHMIV-UHFFFAOYSA-N 1 2 235.246 2.370 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H](CO)c1ccc(F)cc1 ZINC001255152503 969955407 /nfs/dbraw/zinc/95/54/07/969955407.db2.gz VJDGAOKOQGRGJW-QWHCGFSZSA-N 1 2 236.290 2.141 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cncn1C1CCC1 ZINC001255162181 969969554 /nfs/dbraw/zinc/96/95/54/969969554.db2.gz JLIOCDXLXXBPJJ-LLVKDONJSA-N 1 2 232.331 2.390 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@@H]1COc2c1cccc2OC ZINC001255163019 969974700 /nfs/dbraw/zinc/97/47/00/969974700.db2.gz BDQCOKCOMOFRPL-CMPLNLGQSA-N 1 2 246.310 2.411 20 30 BEEDLO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC001255165819 969975623 /nfs/dbraw/zinc/97/56/23/969975623.db2.gz DNRWEQQVROACFV-RYUDHWBXSA-N 1 2 248.330 2.250 20 30 BEEDLO CC[C@@H](CC#N)[N@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC001255165819 969975628 /nfs/dbraw/zinc/97/56/28/969975628.db2.gz DNRWEQQVROACFV-RYUDHWBXSA-N 1 2 248.330 2.250 20 30 BEEDLO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC001255165820 969977288 /nfs/dbraw/zinc/97/72/88/969977288.db2.gz DNRWEQQVROACFV-VXGBXAGGSA-N 1 2 248.330 2.250 20 30 BEEDLO CC[C@H](CC#N)[N@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC001255165820 969977293 /nfs/dbraw/zinc/97/72/93/969977293.db2.gz DNRWEQQVROACFV-VXGBXAGGSA-N 1 2 248.330 2.250 20 30 BEEDLO CC[C@@H](CC#N)[N@@H+]1CCc2c(O)cccc2C1 ZINC001255167259 969982158 /nfs/dbraw/zinc/98/21/58/969982158.db2.gz WRYLPRLNDOLIHR-LBPRGKRZSA-N 1 2 230.311 2.443 20 30 BEEDLO CC[C@@H](CC#N)[N@H+]1CCc2c(O)cccc2C1 ZINC001255167259 969982164 /nfs/dbraw/zinc/98/21/64/969982164.db2.gz WRYLPRLNDOLIHR-LBPRGKRZSA-N 1 2 230.311 2.443 20 30 BEEDLO CCOC(=O)C1CCC([NH2+][C@@H](C#N)CC)CC1 ZINC001255253203 970016738 /nfs/dbraw/zinc/01/67/38/970016738.db2.gz GCFGULGHCNVUBH-MOENNCHZSA-N 1 2 238.331 2.000 20 30 BEEDLO CCCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OCC ZINC001255309345 970077040 /nfs/dbraw/zinc/07/70/40/970077040.db2.gz DTRDYFWRKIDZIB-ZJUUUORDSA-N 1 2 233.377 2.016 20 30 BEEDLO COC1CCC([NH2+][C@@](C)(C#N)C(C)C)CC1 ZINC001255448613 970179881 /nfs/dbraw/zinc/17/98/81/970179881.db2.gz YUJCLIFMJMRXDG-BPCQOVAHSA-N 1 2 224.348 2.472 20 30 BEEDLO CC[C@@](C)(C#N)[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255528751 970291397 /nfs/dbraw/zinc/29/13/97/970291397.db2.gz RWGGZBSUHTZSNA-JQWIXIFHSA-N 1 2 210.321 2.226 20 30 BEEDLO C#Cc1cnc(Nc2c[nH+]c(C)cc2C)c(C#C)n1 ZINC001213507870 970330212 /nfs/dbraw/zinc/33/02/12/970330212.db2.gz HCDJFLVIIDERRL-UHFFFAOYSA-N 1 2 248.289 2.195 20 30 BEEDLO Cc1c[nH+]cc(Nc2cn(C)nc2C#N)c1C ZINC001213527511 970344708 /nfs/dbraw/zinc/34/47/08/970344708.db2.gz PSSUDUWULOWASD-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO C#Cc1nccnc1Nc1c[nH+]cc(C)c1C ZINC001213525413 970349449 /nfs/dbraw/zinc/34/94/49/970349449.db2.gz VGNRXESYVYCRRD-UHFFFAOYSA-N 1 2 224.267 2.213 20 30 BEEDLO Cc1c[nH+]cc(Nc2ncn(C)c2C#N)c1C ZINC001213527445 970350189 /nfs/dbraw/zinc/35/01/89/970350189.db2.gz LLTIPTCVGFVUQX-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO Cc1cc2[nH]ccc2c(N(C)[C@@H](C)C#N)[nH+]1 ZINC001157490318 970377738 /nfs/dbraw/zinc/37/77/38/970377738.db2.gz KXSLRPZEGBGKKU-VIFPVBQESA-N 1 2 214.272 2.220 20 30 BEEDLO Cc1[nH+]c(N(C)[C@@H](C)C#N)cc2[nH]ccc21 ZINC001157491045 970381154 /nfs/dbraw/zinc/38/11/54/970381154.db2.gz QZAIJMBXWRLGGP-QMMMGPOBSA-N 1 2 214.272 2.220 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)CCCC(C)C)CC1 ZINC001113372516 970417309 /nfs/dbraw/zinc/41/73/09/970417309.db2.gz IGMSSZRRKGOSRM-UHFFFAOYSA-N 1 2 238.375 2.143 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)CC(CC)CC)CC1 ZINC001113461359 970438186 /nfs/dbraw/zinc/43/81/86/970438186.db2.gz HXXJAKKHBLBYCV-UHFFFAOYSA-N 1 2 238.375 2.143 20 30 BEEDLO CC(C)(S)CNc1ccn2cc(N)[nH+]c2c1 ZINC001170305928 970699529 /nfs/dbraw/zinc/69/95/29/970699529.db2.gz HZXOXIBNXMWMPG-UHFFFAOYSA-N 1 2 236.344 2.037 20 30 BEEDLO C=C(C)CO[NH+]=C1CCCc2nc(N)sc21 ZINC000844619985 972583102 /nfs/dbraw/zinc/58/31/02/972583102.db2.gz PINIUHLIAAWMFA-UHFFFAOYSA-N 1 2 237.328 2.358 20 30 BEEDLO C[C@@H](CC(C)(C)S)OCc1c[nH+]cn1C ZINC001222600964 972596232 /nfs/dbraw/zinc/59/62/32/972596232.db2.gz WTNQUCPGBYEKRL-VIFPVBQESA-N 1 2 228.361 2.424 20 30 BEEDLO C#CCOCC[N@@H+](C)Cc1ccsc1Cl ZINC001327884856 972785941 /nfs/dbraw/zinc/78/59/41/972785941.db2.gz RPEMHHPYLVTXIN-UHFFFAOYSA-N 1 2 243.759 2.483 20 30 BEEDLO C#CCOCC[N@H+](C)Cc1ccsc1Cl ZINC001327884856 972785949 /nfs/dbraw/zinc/78/59/49/972785949.db2.gz RPEMHHPYLVTXIN-UHFFFAOYSA-N 1 2 243.759 2.483 20 30 BEEDLO CCC[C@@H](C)CC[C@H](C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246836098 973130506 /nfs/dbraw/zinc/13/05/06/973130506.db2.gz MUJXVXGJFBJIDU-HZSPNIEDSA-N 1 2 237.391 2.389 20 30 BEEDLO CCC[C@@H](C)CC[C@H](C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246836098 973130520 /nfs/dbraw/zinc/13/05/20/973130520.db2.gz MUJXVXGJFBJIDU-HZSPNIEDSA-N 1 2 237.391 2.389 20 30 BEEDLO C#Cc1cc(Nc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001206140015 974110738 /nfs/dbraw/zinc/11/07/38/974110738.db2.gz FAEONRDBBJVDRN-UHFFFAOYSA-N 1 2 239.234 2.137 20 30 BEEDLO CCC[C@@](C)(C#N)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172236256 974496071 /nfs/dbraw/zinc/49/60/71/974496071.db2.gz PRFJAXMBYCJVDU-WVMKXHBISA-N 1 2 220.316 2.144 20 30 BEEDLO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC1(F)F ZINC001172292429 974559060 /nfs/dbraw/zinc/55/90/60/974559060.db2.gz PBZKPNIEBQABOL-JOYOIKCWSA-N 1 2 236.265 2.486 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@H](CC)CC(C)C ZINC001172384832 974729931 /nfs/dbraw/zinc/72/99/31/974729931.db2.gz JWSSIIJNQTYLRP-MNOVXSKESA-N 1 2 247.404 2.262 20 30 BEEDLO C[C@H](CCCC#N)[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001172491042 974836302 /nfs/dbraw/zinc/83/63/02/974836302.db2.gz CCVJGAUNMKDNQN-MNOVXSKESA-N 1 2 246.301 2.018 20 30 BEEDLO C[C@H](CCCC#N)[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001172491042 974836308 /nfs/dbraw/zinc/83/63/08/974836308.db2.gz CCVJGAUNMKDNQN-MNOVXSKESA-N 1 2 246.301 2.018 20 30 BEEDLO COc1cccc(C#N)c1OC1C[NH+](C(C)C)C1 ZINC001226247155 974837976 /nfs/dbraw/zinc/83/79/76/974837976.db2.gz JRHOUZWAHHLBEL-UHFFFAOYSA-N 1 2 246.310 2.038 20 30 BEEDLO N#C[C@H]1C[NH2+]CCN1C1CCC2(CCCC2)CC1 ZINC001172726310 974909900 /nfs/dbraw/zinc/90/99/00/974909900.db2.gz FTFWRZVXJSPZBJ-AWEZNQCLSA-N 1 2 247.386 2.287 20 30 BEEDLO Cc1ccc(C#N)c(OC2C[NH+](C(C)C)C2)c1 ZINC001226754690 975058999 /nfs/dbraw/zinc/05/89/99/975058999.db2.gz VBGZEEGULMQTAL-UHFFFAOYSA-N 1 2 230.311 2.338 20 30 BEEDLO CCC[C@@](C)(C#N)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001173170601 975063283 /nfs/dbraw/zinc/06/32/83/975063283.db2.gz TXYXNHBHELLIMU-SRVKXCTJSA-N 1 2 210.321 2.226 20 30 BEEDLO CC1(C#N)CCC([N@@H+]2CCC[C@H]2C#N)CC1 ZINC001173592570 975444451 /nfs/dbraw/zinc/44/44/51/975444451.db2.gz UDEPVEZGMWUTLA-CPCZMJQVSA-N 1 2 217.316 2.447 20 30 BEEDLO CC1(C#N)CCC([N@H+]2CCC[C@H]2C#N)CC1 ZINC001173592570 975444474 /nfs/dbraw/zinc/44/44/74/975444474.db2.gz UDEPVEZGMWUTLA-CPCZMJQVSA-N 1 2 217.316 2.447 20 30 BEEDLO Cc1[nH]c2ccc(O[C@@H]3C=CC(=O)C3)cc2[nH+]1 ZINC001228329931 976129414 /nfs/dbraw/zinc/12/94/14/976129414.db2.gz SGHDJMXAVLHDSD-SNVBAGLBSA-N 1 2 228.251 2.148 20 30 BEEDLO Cc1ccc([C@H](C)C[NH+]2CC(O)(CC#N)C2)cc1 ZINC001335313020 976949640 /nfs/dbraw/zinc/94/96/40/976949640.db2.gz GKISEBJYTMBQPX-CYBMUJFWSA-N 1 2 244.338 2.059 20 30 BEEDLO C#Cc1cc(Nc2c(F)ccc(O)c2F)cc[nH+]1 ZINC001175261200 977358910 /nfs/dbraw/zinc/35/89/10/977358910.db2.gz GGLNFHYDYUXIDF-UHFFFAOYSA-N 1 2 246.216 2.212 20 30 BEEDLO C#C[C@@H](CC)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230919548 977383589 /nfs/dbraw/zinc/38/35/89/977383589.db2.gz DRDAVCRGKRHQPY-LBPRGKRZSA-N 1 2 229.279 2.158 20 30 BEEDLO N#CC1CC(Oc2cc3c(cc2O)C=[NH+]CC3)C1 ZINC001230920671 977384757 /nfs/dbraw/zinc/38/47/57/977384757.db2.gz QBTQZJTVZFEIMG-UHFFFAOYSA-N 1 2 242.278 2.048 20 30 BEEDLO C[C@H](CS)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230922046 977385093 /nfs/dbraw/zinc/38/50/93/977385093.db2.gz YJMIGFGNJIBLKD-MRVPVSSYSA-N 1 2 237.324 2.064 20 30 BEEDLO C#Cc1cc(Nc2ccc3c(cnn3C)c2)cc[nH+]1 ZINC001175417937 977425451 /nfs/dbraw/zinc/42/54/51/977425451.db2.gz SIAJXRBZIUORQW-UHFFFAOYSA-N 1 2 248.289 2.115 20 30 BEEDLO C#Cc1cc(Nc2cccc3c2cnn3C)cc[nH+]1 ZINC001175432654 977429055 /nfs/dbraw/zinc/42/90/55/977429055.db2.gz SARVUMXHGSWLTJ-UHFFFAOYSA-N 1 2 248.289 2.115 20 30 BEEDLO O=C1C=C[C@H](Oc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC001231085473 977471512 /nfs/dbraw/zinc/47/15/12/977471512.db2.gz ULGBVLNQLLXYMX-ZDUSSCGKSA-N 1 2 240.262 2.353 20 30 BEEDLO C#Cc1cc(Nc2cc3c[nH]nc3c(C)c2)cc[nH+]1 ZINC001175515935 977498775 /nfs/dbraw/zinc/49/87/75/977498775.db2.gz JRXOKBMWGRFVEE-UHFFFAOYSA-N 1 2 248.289 2.413 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@H](C#N)C2)cc(C)n1 ZINC001232001176 977833505 /nfs/dbraw/zinc/83/35/05/977833505.db2.gz MRBHJUGYJGOFNQ-GFCCVEGCSA-N 1 2 215.300 2.044 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@H](C#N)C2)cc(C)n1 ZINC001232001176 977833510 /nfs/dbraw/zinc/83/35/10/977833510.db2.gz MRBHJUGYJGOFNQ-GFCCVEGCSA-N 1 2 215.300 2.044 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc2ccncc2[nH]1 ZINC001232092782 977893140 /nfs/dbraw/zinc/89/31/40/977893140.db2.gz ROGRFJYQJCBMQW-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc2ccncc2[nH]1 ZINC001232092782 977893144 /nfs/dbraw/zinc/89/31/44/977893144.db2.gz ROGRFJYQJCBMQW-UHFFFAOYSA-N 1 2 228.299 2.298 20 30 BEEDLO C=CCC[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001336759036 977927574 /nfs/dbraw/zinc/92/75/74/977927574.db2.gz KMJOSZSFUCLANW-GFCCVEGCSA-N 1 2 247.342 2.218 20 30 BEEDLO CCCC[N@H+](CCC#N)Cc1ccc(N)nc1C ZINC001232344103 978026912 /nfs/dbraw/zinc/02/69/12/978026912.db2.gz JIIDMLKUOILJCD-UHFFFAOYSA-N 1 2 246.358 2.488 20 30 BEEDLO CCCC[N@@H+](CCC#N)Cc1ccc(N)nc1C ZINC001232344103 978026924 /nfs/dbraw/zinc/02/69/24/978026924.db2.gz JIIDMLKUOILJCD-UHFFFAOYSA-N 1 2 246.358 2.488 20 30 BEEDLO C=CCn1cc(Nc2cccc3[nH+]ccn32)cn1 ZINC001176542372 978100062 /nfs/dbraw/zinc/10/00/62/978100062.db2.gz UMPHOFXZWYQEOF-UHFFFAOYSA-N 1 2 239.282 2.460 20 30 BEEDLO Cc1[nH]c(CN(CC#N)Cc2ccccc2)c[nH+]1 ZINC001232462948 978103397 /nfs/dbraw/zinc/10/33/97/978103397.db2.gz AFRUJCKTCZXGSX-UHFFFAOYSA-N 1 2 240.310 2.244 20 30 BEEDLO Cc1[nH]cc(CN(CC#N)Cc2ccccc2)[nH+]1 ZINC001232462948 978103417 /nfs/dbraw/zinc/10/34/17/978103417.db2.gz AFRUJCKTCZXGSX-UHFFFAOYSA-N 1 2 240.310 2.244 20 30 BEEDLO CC[C@H](C)[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232675096 978239397 /nfs/dbraw/zinc/23/93/97/978239397.db2.gz LVJQITBOIIMKHR-JTQLQIEISA-N 1 2 218.300 2.494 20 30 BEEDLO CC[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232675096 978239405 /nfs/dbraw/zinc/23/94/05/978239405.db2.gz LVJQITBOIIMKHR-JTQLQIEISA-N 1 2 218.300 2.494 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001232674833 978239626 /nfs/dbraw/zinc/23/96/26/978239626.db2.gz FPGNIQHTGAFLIE-WCFLWFBJSA-N 1 2 246.285 2.054 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001232674833 978239633 /nfs/dbraw/zinc/23/96/33/978239633.db2.gz FPGNIQHTGAFLIE-WCFLWFBJSA-N 1 2 246.285 2.054 20 30 BEEDLO N#Cc1ccc(O)c(C[NH+]2CCC(F)CC2)c1 ZINC001232674300 978243232 /nfs/dbraw/zinc/24/32/32/978243232.db2.gz VLFZHNBAPTXXNJ-UHFFFAOYSA-N 1 2 234.274 2.198 20 30 BEEDLO N#Cc1cc[nH]c1C[NH+]1CC(c2ccccc2)C1 ZINC001233048132 978436770 /nfs/dbraw/zinc/43/67/70/978436770.db2.gz WZLXTQOIAKADTB-UHFFFAOYSA-N 1 2 237.306 2.486 20 30 BEEDLO COCOc1cccc(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001233282060 978529603 /nfs/dbraw/zinc/52/96/03/978529603.db2.gz AQSDFCLNHRVZBJ-CYBMUJFWSA-N 1 2 246.310 2.015 20 30 BEEDLO COCOc1cccc(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001233282060 978529610 /nfs/dbraw/zinc/52/96/10/978529610.db2.gz AQSDFCLNHRVZBJ-CYBMUJFWSA-N 1 2 246.310 2.015 20 30 BEEDLO C=CCc1ccc(OC2C[NH+](C)C2)cc1 ZINC001233595608 978640770 /nfs/dbraw/zinc/64/07/70/978640770.db2.gz RPNDFLCXYGGADV-UHFFFAOYSA-N 1 2 203.285 2.108 20 30 BEEDLO C=CCCO[C@@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001339102948 978795586 /nfs/dbraw/zinc/79/55/86/978795586.db2.gz KCJWRZHZZSUQAT-LBPRGKRZSA-N 1 2 248.326 2.040 20 30 BEEDLO C[N@H+](CCC#N)Cc1ccccc1CC#N ZINC001235511430 979060983 /nfs/dbraw/zinc/06/09/83/979060983.db2.gz HCBWYJKNQNQGQS-UHFFFAOYSA-N 1 2 213.284 2.098 20 30 BEEDLO C[N@@H+](CCC#N)Cc1ccccc1CC#N ZINC001235511430 979060993 /nfs/dbraw/zinc/06/09/93/979060993.db2.gz HCBWYJKNQNQGQS-UHFFFAOYSA-N 1 2 213.284 2.098 20 30 BEEDLO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccccc1CC#N ZINC001235512889 979062883 /nfs/dbraw/zinc/06/28/83/979062883.db2.gz XENQYJPQWPNBRY-LBPRGKRZSA-N 1 2 242.322 2.306 20 30 BEEDLO C[C@H]1CC(=O)CC[N@H+]1Cc1ccccc1CC#N ZINC001235512889 979062890 /nfs/dbraw/zinc/06/28/90/979062890.db2.gz XENQYJPQWPNBRY-LBPRGKRZSA-N 1 2 242.322 2.306 20 30 BEEDLO C#CC[N@@H+](C)Cc1cccn1C(=O)OC(C)(C)C ZINC001235627861 979104063 /nfs/dbraw/zinc/10/40/63/979104063.db2.gz DCZMBZFBVZUBNW-UHFFFAOYSA-N 1 2 248.326 2.336 20 30 BEEDLO C#CC[N@H+](C)Cc1cccn1C(=O)OC(C)(C)C ZINC001235627861 979104071 /nfs/dbraw/zinc/10/40/71/979104071.db2.gz DCZMBZFBVZUBNW-UHFFFAOYSA-N 1 2 248.326 2.336 20 30 BEEDLO C=CCN(CCC#N)Cc1c[nH+]cn1CCC ZINC001182009028 979417777 /nfs/dbraw/zinc/41/77/77/979417777.db2.gz YBYNGJYYWBYLHS-UHFFFAOYSA-N 1 2 232.331 2.195 20 30 BEEDLO Cc1ccc(Nc2cn(C)nc2C#N)c(C)[nH+]1 ZINC001203369794 979463236 /nfs/dbraw/zinc/46/32/36/979463236.db2.gz CHCSSPWRMSTJNL-UHFFFAOYSA-N 1 2 227.271 2.047 20 30 BEEDLO COc1ccc(-c2ccc(N)[nH+]c2)cc1CC#N ZINC001236313712 979526446 /nfs/dbraw/zinc/52/64/46/979526446.db2.gz XZEZRXATCFFEMH-UHFFFAOYSA-N 1 2 239.278 2.405 20 30 BEEDLO COc1c(C)cccc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001237512369 979926253 /nfs/dbraw/zinc/92/62/53/979926253.db2.gz CYFCZRXDQBPXBJ-GFCCVEGCSA-N 1 2 230.311 2.349 20 30 BEEDLO COc1c(C)cccc1C[N@H+]1CC[C@H](C#N)C1 ZINC001237512369 979926258 /nfs/dbraw/zinc/92/62/58/979926258.db2.gz CYFCZRXDQBPXBJ-GFCCVEGCSA-N 1 2 230.311 2.349 20 30 BEEDLO CCc1[nH]ncc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001237652981 980004221 /nfs/dbraw/zinc/00/42/21/980004221.db2.gz AOLZHNPYKXHPKY-LLVKDONJSA-N 1 2 232.331 2.098 20 30 BEEDLO CCc1[nH]ncc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001237652981 980004225 /nfs/dbraw/zinc/00/42/25/980004225.db2.gz AOLZHNPYKXHPKY-LLVKDONJSA-N 1 2 232.331 2.098 20 30 BEEDLO CCc1[nH]ncc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001237650483 980004900 /nfs/dbraw/zinc/00/49/00/980004900.db2.gz HPAAQDGNXZUQRN-NSHDSACASA-N 1 2 232.331 2.098 20 30 BEEDLO CCc1[nH]ncc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001237650483 980004906 /nfs/dbraw/zinc/00/49/06/980004906.db2.gz HPAAQDGNXZUQRN-NSHDSACASA-N 1 2 232.331 2.098 20 30 BEEDLO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C#N)C2)c1O ZINC001238066084 980137626 /nfs/dbraw/zinc/13/76/26/980137626.db2.gz FBHCWZYOLWGRPY-JTQLQIEISA-N 1 2 234.274 2.185 20 30 BEEDLO Cc1cc(F)cc(C[N@H+]2CC[C@@H](C#N)C2)c1O ZINC001238066084 980137627 /nfs/dbraw/zinc/13/76/27/980137627.db2.gz FBHCWZYOLWGRPY-JTQLQIEISA-N 1 2 234.274 2.185 20 30 BEEDLO Cc1ncncc1C[N@H+](CCC#N)C1CCCC1 ZINC001238168191 980200083 /nfs/dbraw/zinc/20/00/83/980200083.db2.gz GAUOOSACSNOUSZ-UHFFFAOYSA-N 1 2 244.342 2.443 20 30 BEEDLO Cc1ncncc1C[N@@H+](CCC#N)C1CCCC1 ZINC001238168191 980200088 /nfs/dbraw/zinc/20/00/88/980200088.db2.gz GAUOOSACSNOUSZ-UHFFFAOYSA-N 1 2 244.342 2.443 20 30 BEEDLO CCOC1C[NH+](Cc2ccc(C#N)c(CC)c2)C1 ZINC001238765631 980320719 /nfs/dbraw/zinc/32/07/19/980320719.db2.gz GUFCCFZZEHZDQZ-UHFFFAOYSA-N 1 2 244.338 2.341 20 30 BEEDLO Cc1c[nH+]c(C)c(Nc2cnc(C#N)nc2)c1 ZINC001203656186 980494389 /nfs/dbraw/zinc/49/43/89/980494389.db2.gz LJLRWNURXIZXBT-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO C#Cc1cnc(Nc2cc(C)c[nH+]c2C)c(C#C)n1 ZINC001203657192 980494602 /nfs/dbraw/zinc/49/46/02/980494602.db2.gz KPEYQUDPUCHCKU-UHFFFAOYSA-N 1 2 248.289 2.195 20 30 BEEDLO Cc1cc(C#N)ccc1CCn1cc[nH+]c1 ZINC001250318906 980757250 /nfs/dbraw/zinc/75/72/50/980757250.db2.gz LPBUUWBRZWQUFF-UHFFFAOYSA-N 1 2 211.268 2.306 20 30 BEEDLO N#Cc1ccc(-c2ccc3[nH+]ccn3c2)nc1F ZINC001240216147 981163661 /nfs/dbraw/zinc/16/36/61/981163661.db2.gz DAPNGIQGCLSBQG-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO N#CCc1cncc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240219839 981170523 /nfs/dbraw/zinc/17/05/23/981170523.db2.gz WPLYOHUQDWTKBA-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO N#CCc1ccc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240509367 981432920 /nfs/dbraw/zinc/43/29/20/981432920.db2.gz XRKDUQXNBDCDMY-UHFFFAOYSA-N 1 2 234.262 2.462 20 30 BEEDLO C=C(CC)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001349312853 981530112 /nfs/dbraw/zinc/53/01/12/981530112.db2.gz XHTPYEXBGSIHRJ-CHWSQXEVSA-N 1 2 247.342 2.259 20 30 BEEDLO C=C[C@@H](COC)[NH2+]Cc1nc(Cl)cs1 ZINC001349620697 981596315 /nfs/dbraw/zinc/59/63/15/981596315.db2.gz KMYXHSNVWMDBHA-ZETCQYMHSA-N 1 2 232.736 2.087 20 30 BEEDLO COc1cc(-c2cc[nH+]c(N)c2)ccc1CC#N ZINC001241163265 982301926 /nfs/dbraw/zinc/30/19/26/982301926.db2.gz SDWSRTYXRVZMER-UHFFFAOYSA-N 1 2 239.278 2.405 20 30 BEEDLO COc1ccc(Nc2ccc(N)[nH+]c2)c(C#N)c1 ZINC001201284106 983155707 /nfs/dbraw/zinc/15/57/07/983155707.db2.gz JJVSAKVDFLSELF-UHFFFAOYSA-N 1 2 240.266 2.288 20 30 BEEDLO N#Cc1cn(-c2ccc(N)[nH+]c2)c2cc(N)ccc12 ZINC001201292396 983169351 /nfs/dbraw/zinc/16/93/51/983169351.db2.gz XVSHDVUUCGYQDZ-UHFFFAOYSA-N 1 2 249.277 2.062 20 30 BEEDLO COc1cc(C#N)cc(Nc2ccc(N)[nH+]c2)c1 ZINC001201294524 983182332 /nfs/dbraw/zinc/18/23/32/983182332.db2.gz CSNWDQGZMTWJGW-UHFFFAOYSA-N 1 2 240.266 2.288 20 30 BEEDLO C=CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001472641773 983303085 /nfs/dbraw/zinc/30/30/85/983303085.db2.gz HKCQIHYDGKPOJD-UHFFFAOYSA-N 1 2 224.267 2.480 20 30 BEEDLO Cc1ccnc(-c2c[nH+]c(N)cc2C)c1C#N ZINC001242070558 983304643 /nfs/dbraw/zinc/30/46/43/983304643.db2.gz CFDYEPLMHALCGT-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO CCCCC[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201727203 983433467 /nfs/dbraw/zinc/43/34/67/983433467.db2.gz NUHZIRIFKNRHQT-NSHDSACASA-N 1 2 225.357 2.451 20 30 BEEDLO CCCCC[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201727203 983433471 /nfs/dbraw/zinc/43/34/71/983433471.db2.gz NUHZIRIFKNRHQT-NSHDSACASA-N 1 2 225.357 2.451 20 30 BEEDLO COc1cccc(/C(C)=C/C=C/[NH3+])c1C#N ZINC001242298988 983526587 /nfs/dbraw/zinc/52/65/87/983526587.db2.gz XPMRPYMKIREPBH-DXNUHORPSA-N 1 2 214.268 2.443 20 30 BEEDLO Cc1cc(-c2ccn3cc(N)[nH+]c3c2)cnc1C#N ZINC001242356641 983642060 /nfs/dbraw/zinc/64/20/60/983642060.db2.gz IJMRHUIKOACMKN-UHFFFAOYSA-N 1 2 249.277 2.159 20 30 BEEDLO C=C[C@](C)(O)CNc1ccc([NH+](C)C)cc1 ZINC001252538100 983805178 /nfs/dbraw/zinc/80/51/78/983805178.db2.gz BINFGMOUHIRQKF-ZDUSSCGKSA-N 1 2 220.316 2.102 20 30 BEEDLO C#Cc1cc(Nc2ccnc(F)c2C)cc[nH+]1 ZINC001212839090 984273300 /nfs/dbraw/zinc/27/33/00/984273300.db2.gz ORWMOFJBBCRIKI-UHFFFAOYSA-N 1 2 227.242 2.071 20 30 BEEDLO COc1ccc(-c2c[nH+]cn2C)c(CC#N)c1 ZINC001243066964 984478476 /nfs/dbraw/zinc/47/84/76/984478476.db2.gz DUTIPOGKOQKMDH-UHFFFAOYSA-N 1 2 227.267 2.162 20 30 BEEDLO CCCCCCCN1CC2(CC[N@@H+]2C)C1 ZINC001275126522 984498093 /nfs/dbraw/zinc/49/80/93/984498093.db2.gz KIMIQERAQVEWFE-UHFFFAOYSA-N 1 2 210.365 2.347 20 30 BEEDLO CCCCCCCN1CC2(CC[N@H+]2C)C1 ZINC001275126522 984498102 /nfs/dbraw/zinc/49/81/02/984498102.db2.gz KIMIQERAQVEWFE-UHFFFAOYSA-N 1 2 210.365 2.347 20 30 BEEDLO N#Cc1c[nH]c2cc(-c3ccc[nH+]c3N)cnc12 ZINC001243473305 985022188 /nfs/dbraw/zinc/02/21/88/985022188.db2.gz KHJYYZJFZRUMNJ-UHFFFAOYSA-N 1 2 235.250 2.079 20 30 BEEDLO COc1cc(-c2ccc[nH+]c2N)ccc1CC#N ZINC001243475369 985027502 /nfs/dbraw/zinc/02/75/02/985027502.db2.gz XOAPLWNLIJUUEM-UHFFFAOYSA-N 1 2 239.278 2.405 20 30 BEEDLO Nc1[nH+]cccc1-c1cccc(/C=N/O)c1 ZINC001243476117 985027625 /nfs/dbraw/zinc/02/76/25/985027625.db2.gz OTMDFMPWKVXUHD-OVCLIPMQSA-N 1 2 213.240 2.139 20 30 BEEDLO Cc1c(C[N@@H+](CCC#N)CC(C)C)cnn1C ZINC000685995817 985032177 /nfs/dbraw/zinc/03/21/77/985032177.db2.gz WHQNFPWXNFFMMG-UHFFFAOYSA-N 1 2 234.347 2.100 20 30 BEEDLO Cc1c(C[N@H+](CCC#N)CC(C)C)cnn1C ZINC000685995817 985032195 /nfs/dbraw/zinc/03/21/95/985032195.db2.gz WHQNFPWXNFFMMG-UHFFFAOYSA-N 1 2 234.347 2.100 20 30 BEEDLO Nc1[nH+]cccc1-c1ccc2c(c1)CC/C2=N/O ZINC001243477233 985035676 /nfs/dbraw/zinc/03/56/76/985035676.db2.gz NKMXVPDZEBKCNH-LGMDPLHJSA-N 1 2 239.278 2.455 20 30 BEEDLO C=C[C@H]1C[C@]1([NH2+]C1CCCCC1)C(=O)OCC ZINC001257452351 985051007 /nfs/dbraw/zinc/05/10/07/985051007.db2.gz QZYZUYORHRERPH-SMDDNHRTSA-N 1 2 237.343 2.417 20 30 BEEDLO COc1ccc(-c2cc[nH+]c(N)c2)c(C#N)c1 ZINC001243731605 985251838 /nfs/dbraw/zinc/25/18/38/985251838.db2.gz DOGSDIAKMQIWFB-UHFFFAOYSA-N 1 2 225.251 2.211 20 30 BEEDLO Cn1c[nH+]c(CCNc2cc(F)ccc2C#N)c1 ZINC001458430207 985311888 /nfs/dbraw/zinc/31/18/88/985311888.db2.gz MOFWPMJJBMIJIX-UHFFFAOYSA-N 1 2 244.273 2.085 20 30 BEEDLO C#CC[N@@H+](Cc1csnc1OC)C(C)(C)C ZINC001460808479 985899147 /nfs/dbraw/zinc/89/91/47/985899147.db2.gz SBKYPROEGCTRJL-UHFFFAOYSA-N 1 2 238.356 2.385 20 30 BEEDLO C#CC[N@H+](Cc1csnc1OC)C(C)(C)C ZINC001460808479 985899154 /nfs/dbraw/zinc/89/91/54/985899154.db2.gz SBKYPROEGCTRJL-UHFFFAOYSA-N 1 2 238.356 2.385 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccnn1-c1ccccc1 ZINC001461725126 986124843 /nfs/dbraw/zinc/12/48/43/986124843.db2.gz TWTLRSHNSKJBNM-LBPRGKRZSA-N 1 2 240.310 2.264 20 30 BEEDLO N#C[C@@H]1CC[C@H]([NH+]2CC(Oc3ccccc3)C2)C1 ZINC001254667287 986715788 /nfs/dbraw/zinc/71/57/88/986715788.db2.gz BROIDAMTHXRNGX-OLZOCXBDSA-N 1 2 242.322 2.442 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254930335 986748581 /nfs/dbraw/zinc/74/85/81/986748581.db2.gz GATYUWIQAXNXEZ-MJVIPROJSA-N 1 2 234.343 2.272 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254930341 986749523 /nfs/dbraw/zinc/74/95/23/986749523.db2.gz GATYUWIQAXNXEZ-SFTQSGBHSA-N 1 2 234.343 2.272 20 30 BEEDLO CC[N@H+](CCC#N)Cc1[nH]c(C)cc1C ZINC001137328048 986783843 /nfs/dbraw/zinc/78/38/43/986783843.db2.gz PTVBFFZYMSQXOO-UHFFFAOYSA-N 1 2 205.305 2.367 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1[nH]c(C)cc1C ZINC001137328048 986783852 /nfs/dbraw/zinc/78/38/52/986783852.db2.gz PTVBFFZYMSQXOO-UHFFFAOYSA-N 1 2 205.305 2.367 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H](CO)c1cccc(F)c1 ZINC001255154508 986827274 /nfs/dbraw/zinc/82/72/74/986827274.db2.gz IOIFPPOLEXLELX-CHWSQXEVSA-N 1 2 236.290 2.141 20 30 BEEDLO Cc1cc(-c2ncccc2CC#N)c[nH+]c1N ZINC001245537054 986918449 /nfs/dbraw/zinc/91/84/49/986918449.db2.gz WTYIAPPHTVYFAF-UHFFFAOYSA-N 1 2 224.267 2.100 20 30 BEEDLO Cc1cc(-c2ccnc(CC#N)c2)c[nH+]c1N ZINC001245539557 986927605 /nfs/dbraw/zinc/92/76/05/986927605.db2.gz NOQZUIAVRNGLAW-UHFFFAOYSA-N 1 2 224.267 2.100 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)C2=CCCCCC2)CC1 ZINC001472953597 987303797 /nfs/dbraw/zinc/30/37/97/987303797.db2.gz WLUTZJULYFFFTN-UHFFFAOYSA-N 1 2 248.370 2.207 20 30 BEEDLO N#Cc1ccc(C[NH2+]Cc2ccon2)cc1Cl ZINC001474125745 987647699 /nfs/dbraw/zinc/64/76/99/987647699.db2.gz VZWYKFZELTWIFR-UHFFFAOYSA-N 1 2 247.685 2.489 20 30 BEEDLO CCCC[C@H](CCC)N1CC[NH2+]C[C@H]1C#N ZINC001246594055 988190454 /nfs/dbraw/zinc/19/04/54/988190454.db2.gz ORPCFFLCLMHADL-QWHCGFSZSA-N 1 2 223.364 2.143 20 30 BEEDLO CCC[C@H](C)CC[C@@H](C)N1CC[NH2+]C[C@@H]1C#N ZINC001246594052 988192041 /nfs/dbraw/zinc/19/20/41/988192041.db2.gz OQGGGFNQHKUVPI-MJBXVCDLSA-N 1 2 237.391 2.389 20 30 BEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)C ZINC001506045401 988758582 /nfs/dbraw/zinc/75/85/82/988758582.db2.gz VJOOOTNIAIVXCR-JTQLQIEISA-N 1 2 246.782 2.222 20 30 BEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C ZINC001506045401 988758608 /nfs/dbraw/zinc/75/86/08/988758608.db2.gz VJOOOTNIAIVXCR-JTQLQIEISA-N 1 2 246.782 2.222 20 30 BEEDLO COc1cc(C=NNc2[nH+]ccn2C)ccc1F ZINC001324883910 989012573 /nfs/dbraw/zinc/01/25/73/989012573.db2.gz SBDJXQIIHKIZNM-UHFFFAOYSA-N 1 2 248.261 2.014 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@@H]1F ZINC001249672005 989338170 /nfs/dbraw/zinc/33/81/70/989338170.db2.gz JTEXPLBALXOSFK-SKDRFNHKSA-N 1 2 236.265 2.487 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@@H]1F ZINC001249672005 989338180 /nfs/dbraw/zinc/33/81/80/989338180.db2.gz JTEXPLBALXOSFK-SKDRFNHKSA-N 1 2 236.265 2.487 20 30 BEEDLO C=C1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC001120814743 989897033 /nfs/dbraw/zinc/89/70/33/989897033.db2.gz GPOZHMINRACNPS-UHFFFAOYSA-N 1 2 244.342 2.455 20 30 BEEDLO C=C1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC001120814743 989897034 /nfs/dbraw/zinc/89/70/34/989897034.db2.gz GPOZHMINRACNPS-UHFFFAOYSA-N 1 2 244.342 2.455 20 30 BEEDLO C=CC(C)(C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001544622078 990731119 /nfs/dbraw/zinc/73/11/19/990731119.db2.gz YVSIKBQQRLMZCK-UHFFFAOYSA-N 1 2 247.342 2.259 20 30 BEEDLO C=CCN1CC[NH+](Cc2cccc(C)c2F)CC1 ZINC001137676045 990837909 /nfs/dbraw/zinc/83/79/09/990837909.db2.gz HKDINDZZIBDJET-UHFFFAOYSA-N 1 2 248.345 2.438 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1c(C)n[nH]c1C ZINC001139099017 991140706 /nfs/dbraw/zinc/14/07/06/991140706.db2.gz GVGPAHGUCGBKOJ-UHFFFAOYSA-N 1 2 220.320 2.152 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1c(C)n[nH]c1C ZINC001139099017 991140724 /nfs/dbraw/zinc/14/07/24/991140724.db2.gz GVGPAHGUCGBKOJ-UHFFFAOYSA-N 1 2 220.320 2.152 20 30 BEEDLO C[C@H](C#N)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361469 991229878 /nfs/dbraw/zinc/22/98/78/991229878.db2.gz QZFWUBDWPYTGSC-GFCCVEGCSA-N 1 2 240.310 2.216 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1F ZINC001139647274 991304855 /nfs/dbraw/zinc/30/48/55/991304855.db2.gz UXZHFDYTCPQSAR-RNCFNFMXSA-N 1 2 236.265 2.487 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1F ZINC001139647274 991304872 /nfs/dbraw/zinc/30/48/72/991304872.db2.gz UXZHFDYTCPQSAR-RNCFNFMXSA-N 1 2 236.265 2.487 20 30 BEEDLO C=CCn1cc(C[N@H+]2CCCC[C@H]2C(C)=O)cn1 ZINC001139771293 991363798 /nfs/dbraw/zinc/36/37/98/991363798.db2.gz WGQKJAKKERSYNC-AWEZNQCLSA-N 1 2 247.342 2.013 20 30 BEEDLO C=CCn1cc(C[N@@H+]2CCCC[C@H]2C(C)=O)cn1 ZINC001139771293 991363803 /nfs/dbraw/zinc/36/38/03/991363803.db2.gz WGQKJAKKERSYNC-AWEZNQCLSA-N 1 2 247.342 2.013 20 30 BEEDLO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2C#N)c1O ZINC001140178251 991552504 /nfs/dbraw/zinc/55/25/04/991552504.db2.gz FMUIDIPKTVRLMQ-LBPRGKRZSA-N 1 2 230.311 2.497 20 30 BEEDLO Cc1ccc(C)c(C[N@H+]2CCC[C@H]2C#N)c1O ZINC001140178251 991552514 /nfs/dbraw/zinc/55/25/14/991552514.db2.gz FMUIDIPKTVRLMQ-LBPRGKRZSA-N 1 2 230.311 2.497 20 30 BEEDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(C#N)nc2)C1 ZINC001140539815 991665028 /nfs/dbraw/zinc/66/50/28/991665028.db2.gz AEBNDGGGLZFJKW-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(C#N)nc2)C1 ZINC001140539815 991665031 /nfs/dbraw/zinc/66/50/31/991665031.db2.gz AEBNDGGGLZFJKW-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](F)C2)cn1 ZINC001140540525 991665962 /nfs/dbraw/zinc/66/59/62/991665962.db2.gz ZNCZCNWFDRYZAU-GFCCVEGCSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)cn1 ZINC001140540525 991665964 /nfs/dbraw/zinc/66/59/64/991665964.db2.gz ZNCZCNWFDRYZAU-GFCCVEGCSA-N 1 2 233.290 2.277 20 30 BEEDLO C=C1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC001562323617 991740811 /nfs/dbraw/zinc/74/08/11/991740811.db2.gz NSQSFWSLJUGCKP-UHFFFAOYSA-N 1 2 242.282 2.046 20 30 BEEDLO CC[C@H](Cc1ccccc1)[NH+]1CC(C#N)C1 ZINC001258845362 991880920 /nfs/dbraw/zinc/88/09/20/991880920.db2.gz ZTRLUGAGRNADDO-CQSZACIVSA-N 1 2 214.312 2.463 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(F)c(OC)c1 ZINC001319823272 991993918 /nfs/dbraw/zinc/99/39/18/991993918.db2.gz KVGFJORYLKLAQQ-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(F)c(OC)c1 ZINC001319823272 991993935 /nfs/dbraw/zinc/99/39/35/991993935.db2.gz KVGFJORYLKLAQQ-UHFFFAOYSA-N 1 2 245.297 2.293 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)CCC ZINC001567274629 991999667 /nfs/dbraw/zinc/99/96/67/991999667.db2.gz DMTKXSJVYWTKBR-JTQLQIEISA-N 1 2 246.782 2.223 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)CCC ZINC001567274629 991999684 /nfs/dbraw/zinc/99/96/84/991999684.db2.gz DMTKXSJVYWTKBR-JTQLQIEISA-N 1 2 246.782 2.223 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)CCCC)C1 ZINC001567791560 992095132 /nfs/dbraw/zinc/09/51/32/992095132.db2.gz NTIXNEPTDDUISG-LBPRGKRZSA-N 1 2 238.375 2.189 20 30 BEEDLO C=CCC1(C(=O)NC2C[NH+](CC(=C)C)C2)CCC1 ZINC001567805976 992098450 /nfs/dbraw/zinc/09/84/50/992098450.db2.gz RFADKDAVCSQELP-UHFFFAOYSA-N 1 2 248.370 2.109 20 30 BEEDLO C=C/C(C)=C\CC(=O)N(C)C1C[NH+](CC(=C)C)C1 ZINC001569497323 992401354 /nfs/dbraw/zinc/40/13/54/992401354.db2.gz AHEHDTUNYLXXEC-QPEQYQDCSA-N 1 2 248.370 2.228 20 30 BEEDLO C=CCCC(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001263966955 993634280 /nfs/dbraw/zinc/63/42/80/993634280.db2.gz BBYAYKNKSXRWRY-UHFFFAOYSA-N 1 2 247.342 2.157 20 30 BEEDLO Cc1cc(C)nc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000700498897 993839321 /nfs/dbraw/zinc/83/93/21/993839321.db2.gz QJYJRKNJPZGUPE-CYBMUJFWSA-N 1 2 244.342 2.219 20 30 BEEDLO Cc1cc(C)nc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000700498897 993839324 /nfs/dbraw/zinc/83/93/24/993839324.db2.gz QJYJRKNJPZGUPE-CYBMUJFWSA-N 1 2 244.342 2.219 20 30 BEEDLO C=C(CC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001297439884 994865917 /nfs/dbraw/zinc/86/59/17/994865917.db2.gz KYTJYRKYDUQERR-UHFFFAOYSA-N 1 2 215.256 2.239 20 30 BEEDLO CC[C@H](C)[C@H](C)[N@@H+]1CCO[C@](C)(C#N)C1 ZINC001308113419 995558432 /nfs/dbraw/zinc/55/84/32/995558432.db2.gz DVCUDXHZZWARNN-SDDRHHMPSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[C@H](C)[C@H](C)[N@H+]1CCO[C@](C)(C#N)C1 ZINC001308113419 995558440 /nfs/dbraw/zinc/55/84/40/995558440.db2.gz DVCUDXHZZWARNN-SDDRHHMPSA-N 1 2 210.321 2.035 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC001621051221 1170189126 /nfs/dbraw/zinc/18/91/26/1170189126.db2.gz UKHZYNYAVFEGGX-VIFPVBQESA-N 1 2 230.271 2.061 20 30 BEEDLO CC[N@H+](CC#N)C[C@@H]1CCCC12CCOCC2 ZINC001615354078 1170513819 /nfs/dbraw/zinc/51/38/19/1170513819.db2.gz DKNFTBNOSMZKRJ-ZDUSSCGKSA-N 1 2 236.359 2.429 20 30 BEEDLO CC[N@@H+](CC#N)C[C@@H]1CCCC12CCOCC2 ZINC001615354078 1170513823 /nfs/dbraw/zinc/51/38/23/1170513823.db2.gz DKNFTBNOSMZKRJ-ZDUSSCGKSA-N 1 2 236.359 2.429 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@]1(C)CCCCO1 ZINC001621354742 1170763269 /nfs/dbraw/zinc/76/32/69/1170763269.db2.gz AQKDHUTXLKDYSH-ZDUSSCGKSA-N 1 2 222.332 2.347 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@]1(C)CCCCO1 ZINC001621354742 1170763279 /nfs/dbraw/zinc/76/32/79/1170763279.db2.gz AQKDHUTXLKDYSH-ZDUSSCGKSA-N 1 2 222.332 2.347 20 30 BEEDLO C=C(C)CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001624425818 1171039672 /nfs/dbraw/zinc/03/96/72/1171039672.db2.gz FYWQMZZORNTRRX-UHFFFAOYSA-N 1 2 244.298 2.422 20 30 BEEDLO Cc1noc(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000081062815 136211146 /nfs/dbraw/zinc/21/11/46/136211146.db2.gz ZNXXLNRGGSSBDT-UHFFFAOYSA-N 1 2 233.315 2.417 20 30 BEEDLO Cc1noc(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000081062815 136211147 /nfs/dbraw/zinc/21/11/47/136211147.db2.gz ZNXXLNRGGSSBDT-UHFFFAOYSA-N 1 2 233.315 2.417 20 30 BEEDLO CC(C)CCN(CCC#N)Cc1c[nH+]cn1C ZINC000177156516 136216697 /nfs/dbraw/zinc/21/66/97/136216697.db2.gz UDKWDEJYENBOCY-UHFFFAOYSA-N 1 2 234.347 2.182 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000339755980 398162926 /nfs/dbraw/zinc/16/29/26/398162926.db2.gz KPUUUSZSMQRJOG-UHFFFAOYSA-N 1 2 249.285 2.067 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000339755980 398162929 /nfs/dbraw/zinc/16/29/29/398162929.db2.gz KPUUUSZSMQRJOG-UHFFFAOYSA-N 1 2 249.285 2.067 20 30 BEEDLO CC#CC[N@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000339760774 398166947 /nfs/dbraw/zinc/16/69/47/398166947.db2.gz MSRKZJLJHRJXBB-UHFFFAOYSA-N 1 2 248.301 2.028 20 30 BEEDLO CC#CC[N@@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000339760774 398166949 /nfs/dbraw/zinc/16/69/49/398166949.db2.gz MSRKZJLJHRJXBB-UHFFFAOYSA-N 1 2 248.301 2.028 20 30 BEEDLO C=CCCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000336750912 136219989 /nfs/dbraw/zinc/21/99/89/136219989.db2.gz GASBSQJNYQZMPU-SNVBAGLBSA-N 1 2 205.305 2.364 20 30 BEEDLO CCC[C@H]([NH2+]CC1(CC#N)CC1)C(=O)OCC ZINC000429783493 398225088 /nfs/dbraw/zinc/22/50/88/398225088.db2.gz LFGCUTRXVZKUEG-NSHDSACASA-N 1 2 238.331 2.002 20 30 BEEDLO CCN(CCC#N)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602438961 349525528 /nfs/dbraw/zinc/52/55/28/349525528.db2.gz SXWUSZKBGGWIAP-LBPRGKRZSA-N 1 2 232.331 2.107 20 30 BEEDLO Cc1cccc(C[N@@H+](C)CC2(C#N)CC2)n1 ZINC000343294966 136227361 /nfs/dbraw/zinc/22/73/61/136227361.db2.gz BSFGFWHRWRWUTF-UHFFFAOYSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cccc(C[N@H+](C)CC2(C#N)CC2)n1 ZINC000343294966 136227362 /nfs/dbraw/zinc/22/73/62/136227362.db2.gz BSFGFWHRWRWUTF-UHFFFAOYSA-N 1 2 215.300 2.126 20 30 BEEDLO COc1cncc(C[N@H+](C)[C@H](C)CC#N)c1C ZINC000602464451 349557212 /nfs/dbraw/zinc/55/72/12/349557212.db2.gz XIEPQAUNRKQUME-SNVBAGLBSA-N 1 2 233.315 2.133 20 30 BEEDLO COc1cncc(C[N@@H+](C)[C@H](C)CC#N)c1C ZINC000602464451 349557216 /nfs/dbraw/zinc/55/72/16/349557216.db2.gz XIEPQAUNRKQUME-SNVBAGLBSA-N 1 2 233.315 2.133 20 30 BEEDLO COc1cncc(C[N@H+](C)[C@@H](C)CC#N)c1C ZINC000602464450 349557763 /nfs/dbraw/zinc/55/77/63/349557763.db2.gz XIEPQAUNRKQUME-JTQLQIEISA-N 1 2 233.315 2.133 20 30 BEEDLO COc1cncc(C[N@@H+](C)[C@@H](C)CC#N)c1C ZINC000602464450 349557767 /nfs/dbraw/zinc/55/77/67/349557767.db2.gz XIEPQAUNRKQUME-JTQLQIEISA-N 1 2 233.315 2.133 20 30 BEEDLO Cc1nc(NCc2ccc(C#N)s2)c(C)c[nH+]1 ZINC000576767926 365682328 /nfs/dbraw/zinc/68/23/28/365682328.db2.gz SYGPMLDHJKQUTN-UHFFFAOYSA-N 1 2 244.323 2.061 20 30 BEEDLO N#CC[N@@H+](Cc1ccc(=O)[nH]c1)C1CCCC1 ZINC000602478672 349564175 /nfs/dbraw/zinc/56/41/75/349564175.db2.gz RYGLDWRITXRLPY-UHFFFAOYSA-N 1 2 231.299 2.055 20 30 BEEDLO N#CC[N@H+](Cc1ccc(=O)[nH]c1)C1CCCC1 ZINC000602478672 349564178 /nfs/dbraw/zinc/56/41/78/349564178.db2.gz RYGLDWRITXRLPY-UHFFFAOYSA-N 1 2 231.299 2.055 20 30 BEEDLO Cc1[nH]c(CN(CCC#N)CC2CC2)[nH+]c1C ZINC000600117278 342674095 /nfs/dbraw/zinc/67/40/95/342674095.db2.gz KPEXHNVCXIFJOC-UHFFFAOYSA-N 1 2 232.331 2.152 20 30 BEEDLO C[C@]1(C[N@@H+]2CC[C@](F)(C#N)C2)CCCS1 ZINC000600150189 342691253 /nfs/dbraw/zinc/69/12/53/342691253.db2.gz AYXRQYPZQRFKDJ-MNOVXSKESA-N 1 2 228.336 2.210 20 30 BEEDLO C[C@]1(C[N@H+]2CC[C@](F)(C#N)C2)CCCS1 ZINC000600150189 342691254 /nfs/dbraw/zinc/69/12/54/342691254.db2.gz AYXRQYPZQRFKDJ-MNOVXSKESA-N 1 2 228.336 2.210 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H]1CC2CCC1CC2)C(=O)OC ZINC000400053077 398287511 /nfs/dbraw/zinc/28/75/11/398287511.db2.gz KOEPYFAERSCWBI-TUUUFIMRSA-N 1 2 237.343 2.130 20 30 BEEDLO CCC#C[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000389645631 539016861 /nfs/dbraw/zinc/01/68/61/539016861.db2.gz SQNBDJBPCWOVRU-SECBINFHSA-N 1 2 221.329 2.092 20 30 BEEDLO COc1cccc(OC)c1C[NH2+]CC(C)(C)C#N ZINC000602608847 349632841 /nfs/dbraw/zinc/63/28/41/349632841.db2.gz XKANIFCTSCVLKF-UHFFFAOYSA-N 1 2 248.326 2.343 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1cc(C2CC2)no1 ZINC000602614220 349637251 /nfs/dbraw/zinc/63/72/51/349637251.db2.gz MYCZUCHULAQARJ-UHFFFAOYSA-N 1 2 219.288 2.191 20 30 BEEDLO Cc1cccn2cc(CN(C)C[C@H](C)C#N)[nH+]c12 ZINC000608784488 342924890 /nfs/dbraw/zinc/92/48/90/342924890.db2.gz ATEAAJLSWKNTMH-LLVKDONJSA-N 1 2 242.326 2.234 20 30 BEEDLO COc1cncc(C[N@H+](C)CC(C)(C)C#N)c1C ZINC000602676650 349670176 /nfs/dbraw/zinc/67/01/76/349670176.db2.gz UWHNBESJPFLISH-UHFFFAOYSA-N 1 2 247.342 2.380 20 30 BEEDLO COc1cncc(C[N@@H+](C)CC(C)(C)C#N)c1C ZINC000602676650 349670177 /nfs/dbraw/zinc/67/01/77/349670177.db2.gz UWHNBESJPFLISH-UHFFFAOYSA-N 1 2 247.342 2.380 20 30 BEEDLO Cn1ncc2c1C[N@H+](CC(C)(C)CCC#N)C2 ZINC000602718713 349687759 /nfs/dbraw/zinc/68/77/59/349687759.db2.gz JXFYOVTVSIGWSO-UHFFFAOYSA-N 1 2 232.331 2.066 20 30 BEEDLO Cn1ncc2c1C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000602718713 349687762 /nfs/dbraw/zinc/68/77/62/349687762.db2.gz JXFYOVTVSIGWSO-UHFFFAOYSA-N 1 2 232.331 2.066 20 30 BEEDLO N#CC1(C[NH2+]Cc2cc(C3CC3)no2)CCC1 ZINC000602697742 349693193 /nfs/dbraw/zinc/69/31/93/349693193.db2.gz LQUNVPIQVQHCPL-UHFFFAOYSA-N 1 2 231.299 2.335 20 30 BEEDLO Cc1ncc([C@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000602717340 349707105 /nfs/dbraw/zinc/70/71/05/349707105.db2.gz GAWSERPAEAKYDJ-FZMZJTMJSA-N 1 2 244.342 2.390 20 30 BEEDLO Cc1ncc([C@H](C)[N@H+]2CC[C@@](C)(C#N)C2)c(C)n1 ZINC000602717340 349707107 /nfs/dbraw/zinc/70/71/07/349707107.db2.gz GAWSERPAEAKYDJ-FZMZJTMJSA-N 1 2 244.342 2.390 20 30 BEEDLO Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000602717631 349707902 /nfs/dbraw/zinc/70/79/02/349707902.db2.gz IDBQQAVBVPNMEV-OCCSQVGLSA-N 1 2 244.342 2.107 20 30 BEEDLO Cn1ccnc1[C@@H](C1CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000602717631 349707904 /nfs/dbraw/zinc/70/79/04/349707904.db2.gz IDBQQAVBVPNMEV-OCCSQVGLSA-N 1 2 244.342 2.107 20 30 BEEDLO Cn1cc[nH+]c1[C@@H](C1CC1)N1CC[C@@](C)(C#N)C1 ZINC000602717631 349707905 /nfs/dbraw/zinc/70/79/05/349707905.db2.gz IDBQQAVBVPNMEV-OCCSQVGLSA-N 1 2 244.342 2.107 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(F)c2N)C1 ZINC000602717517 349707909 /nfs/dbraw/zinc/70/79/09/349707909.db2.gz GWBBINXCLHUCMO-ZDUSSCGKSA-N 1 2 233.290 2.143 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000602717517 349707910 /nfs/dbraw/zinc/70/79/10/349707910.db2.gz GWBBINXCLHUCMO-ZDUSSCGKSA-N 1 2 233.290 2.143 20 30 BEEDLO Cc1noc([C@H]2CCC[N@@H+]2CC2(CC#N)CC2)n1 ZINC000602827600 349765507 /nfs/dbraw/zinc/76/55/07/349765507.db2.gz LCYUUVMWAHZGDP-LLVKDONJSA-N 1 2 246.314 2.209 20 30 BEEDLO Cc1noc([C@H]2CCC[N@H+]2CC2(CC#N)CC2)n1 ZINC000602827600 349765511 /nfs/dbraw/zinc/76/55/11/349765511.db2.gz LCYUUVMWAHZGDP-LLVKDONJSA-N 1 2 246.314 2.209 20 30 BEEDLO Cc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)CC#N ZINC000602861581 349772440 /nfs/dbraw/zinc/77/24/40/349772440.db2.gz GDTGXNMWIGJRDC-NWDGAFQWSA-N 1 2 245.326 2.214 20 30 BEEDLO CSCC[N@H+](CCC#N)Cc1ccco1 ZINC000176838670 346918135 /nfs/dbraw/zinc/91/81/35/346918135.db2.gz CRAWQUKNRCJEBP-UHFFFAOYSA-N 1 2 224.329 2.358 20 30 BEEDLO CSCC[N@@H+](CCC#N)Cc1ccco1 ZINC000176838670 346918138 /nfs/dbraw/zinc/91/81/38/346918138.db2.gz CRAWQUKNRCJEBP-UHFFFAOYSA-N 1 2 224.329 2.358 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000602859838 349770510 /nfs/dbraw/zinc/77/05/10/349770510.db2.gz AYKQVOPJQKKXDY-JTQLQIEISA-N 1 2 241.294 2.332 20 30 BEEDLO COc1ccc(C)cc1C[NH2+][C@@H](C)CC#N ZINC000309913611 343094808 /nfs/dbraw/zinc/09/48/08/343094808.db2.gz ODWGXOSBGBNYFE-NSHDSACASA-N 1 2 218.300 2.395 20 30 BEEDLO N#CC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000123750469 136271042 /nfs/dbraw/zinc/27/10/42/136271042.db2.gz SIUMDHHOAOAIRV-UHFFFAOYSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000124903498 343165564 /nfs/dbraw/zinc/16/55/64/343165564.db2.gz SGMSRYWTQGLAPD-GFCCVEGCSA-N 1 2 240.310 2.122 20 30 BEEDLO C=C(C)CO[NH+]=C(N)COc1ccccc1F ZINC000186862601 136275529 /nfs/dbraw/zinc/27/55/29/136275529.db2.gz DEFMITPQUAQXEA-UHFFFAOYSA-N 1 2 238.262 2.069 20 30 BEEDLO C=CCSCC/[NH+]=C/c1cccc(O)c1O ZINC000272634392 136282608 /nfs/dbraw/zinc/28/26/08/136282608.db2.gz MLJIARPFVSMMAE-UKTHLTGXSA-N 1 2 237.324 2.436 20 30 BEEDLO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)cc1C#N ZINC000625332447 343237418 /nfs/dbraw/zinc/23/74/18/343237418.db2.gz GKYSEZFSSLDFAF-LBPRGKRZSA-N 1 2 242.322 2.278 20 30 BEEDLO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C2)cc1C#N ZINC000625332447 343237420 /nfs/dbraw/zinc/23/74/20/343237420.db2.gz GKYSEZFSSLDFAF-LBPRGKRZSA-N 1 2 242.322 2.278 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)N(C)C[C@@H](C)C#N ZINC000287567646 136287903 /nfs/dbraw/zinc/28/79/03/136287903.db2.gz PYJUGYGVKBJBHM-VIFPVBQESA-N 1 2 246.314 2.322 20 30 BEEDLO C=CCC[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625364260 343258893 /nfs/dbraw/zinc/25/88/93/343258893.db2.gz GFJGIZLDPUIKCR-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO C=CCC[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625364260 343258894 /nfs/dbraw/zinc/25/88/94/343258894.db2.gz GFJGIZLDPUIKCR-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO CCOc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1O ZINC000297941007 136291376 /nfs/dbraw/zinc/29/13/76/136291376.db2.gz VDRNVDJNOGUWFB-LLVKDONJSA-N 1 2 248.326 2.382 20 30 BEEDLO CCOc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1O ZINC000297941007 136291377 /nfs/dbraw/zinc/29/13/77/136291377.db2.gz VDRNVDJNOGUWFB-LLVKDONJSA-N 1 2 248.326 2.382 20 30 BEEDLO C=CCCOCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119949506 136292089 /nfs/dbraw/zinc/29/20/89/136292089.db2.gz YPSZSXNGCHIALR-UHFFFAOYSA-N 1 2 249.314 2.104 20 30 BEEDLO Cc1nsc(C)c1C[NH2+][C@H](C)CC#N ZINC000602871818 349803267 /nfs/dbraw/zinc/80/32/67/349803267.db2.gz XSAOBQCMOYMYKD-SSDOTTSWSA-N 1 2 209.318 2.152 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@H](C)C#N ZINC000165423685 343312134 /nfs/dbraw/zinc/31/21/34/343312134.db2.gz VILZJGJIKOWXFQ-LLVKDONJSA-N 1 2 227.311 2.458 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@H+](C)C[C@H](C)C#N ZINC000165423685 343312137 /nfs/dbraw/zinc/31/21/37/343312137.db2.gz VILZJGJIKOWXFQ-LLVKDONJSA-N 1 2 227.311 2.458 20 30 BEEDLO C=CC[N@@H+](CC(=O)c1cc(C)[nH]c1C)C1CC1 ZINC000348916332 136307767 /nfs/dbraw/zinc/30/77/67/136307767.db2.gz DQRYYGGSUAKISH-UHFFFAOYSA-N 1 2 232.327 2.465 20 30 BEEDLO C=CC[N@H+](CC(=O)c1cc(C)[nH]c1C)C1CC1 ZINC000348916332 136307768 /nfs/dbraw/zinc/30/77/68/136307768.db2.gz DQRYYGGSUAKISH-UHFFFAOYSA-N 1 2 232.327 2.465 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000310215593 343393174 /nfs/dbraw/zinc/39/31/74/343393174.db2.gz IQRGWAZLKNJPSU-SNVBAGLBSA-N 1 2 232.331 2.023 20 30 BEEDLO C#CC[NH+](CC#C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000299228443 343398511 /nfs/dbraw/zinc/39/85/11/343398511.db2.gz JCCNJHGPVHNFFN-LBPRGKRZSA-N 1 2 242.278 2.224 20 30 BEEDLO C=CCCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000102344592 136331689 /nfs/dbraw/zinc/33/16/89/136331689.db2.gz REZWOIFWMJMQOK-LLVKDONJSA-N 1 2 233.315 2.430 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)CCOc1cccc(C#N)c1 ZINC000042324860 343434930 /nfs/dbraw/zinc/43/49/30/343434930.db2.gz ZTYZVIMEZWAEDP-LBPRGKRZSA-N 1 2 243.310 2.029 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000042324860 343434933 /nfs/dbraw/zinc/43/49/33/343434933.db2.gz ZTYZVIMEZWAEDP-LBPRGKRZSA-N 1 2 243.310 2.029 20 30 BEEDLO Cc1c(C[N@@H+](C)C[C@@H](C)C#N)cccc1[N+](=O)[O-] ZINC000042324904 343435231 /nfs/dbraw/zinc/43/52/31/343435231.db2.gz OVXWSRWZXMPQEN-JTQLQIEISA-N 1 2 247.298 2.495 20 30 BEEDLO Cc1c(C[N@H+](C)C[C@@H](C)C#N)cccc1[N+](=O)[O-] ZINC000042324904 343435234 /nfs/dbraw/zinc/43/52/34/343435234.db2.gz OVXWSRWZXMPQEN-JTQLQIEISA-N 1 2 247.298 2.495 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)[C@@H](C)CN1C ZINC000335719819 136340612 /nfs/dbraw/zinc/34/06/12/136340612.db2.gz TZYQACKZTUSHLE-MNOVXSKESA-N 1 2 249.383 2.144 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@@H](C)CN1C ZINC000335719819 136340613 /nfs/dbraw/zinc/34/06/13/136340613.db2.gz TZYQACKZTUSHLE-MNOVXSKESA-N 1 2 249.383 2.144 20 30 BEEDLO C[N@H+](Cc1cccs1)CC1(C#N)CC1 ZINC000259009983 136373948 /nfs/dbraw/zinc/37/39/48/136373948.db2.gz XHKPWEVMTXDHDB-UHFFFAOYSA-N 1 2 206.314 2.484 20 30 BEEDLO C[N@@H+](Cc1cccs1)CC1(C#N)CC1 ZINC000259009983 136373949 /nfs/dbraw/zinc/37/39/49/136373949.db2.gz XHKPWEVMTXDHDB-UHFFFAOYSA-N 1 2 206.314 2.484 20 30 BEEDLO Cc1cc([NH+](C)C)ccc1N[C@H](C)C#N ZINC000274300241 136375394 /nfs/dbraw/zinc/37/53/94/136375394.db2.gz BQBULMBEOLCVSQ-SNVBAGLBSA-N 1 2 203.289 2.385 20 30 BEEDLO N#CCC[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602903656 349817385 /nfs/dbraw/zinc/81/73/85/349817385.db2.gz KBRURYAKGQOHLG-UHFFFAOYSA-N 1 2 233.290 2.314 20 30 BEEDLO Cc1[nH]ncc1C[N@H+](C)CCCC(C)(C)C#N ZINC000602942186 349825592 /nfs/dbraw/zinc/82/55/92/349825592.db2.gz LIGCHJYXYHBTFN-UHFFFAOYSA-N 1 2 234.347 2.480 20 30 BEEDLO Cc1[nH]ncc1C[N@@H+](C)CCCC(C)(C)C#N ZINC000602942186 349825593 /nfs/dbraw/zinc/82/55/93/349825593.db2.gz LIGCHJYXYHBTFN-UHFFFAOYSA-N 1 2 234.347 2.480 20 30 BEEDLO CC[C@@](C)(C#N)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421573991 192364394 /nfs/dbraw/zinc/36/43/94/192364394.db2.gz CXPJXBCNLDSWOR-AWEZNQCLSA-N 1 2 245.326 2.255 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000576050918 343700548 /nfs/dbraw/zinc/70/05/48/343700548.db2.gz WCSPJGWXGLBRBJ-VXGBXAGGSA-N 1 2 245.326 2.295 20 30 BEEDLO Cc1noc(C)c1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602976169 349840562 /nfs/dbraw/zinc/84/05/62/349840562.db2.gz MDNRXUKBQLKIRR-DGCLKSJQSA-N 1 2 233.315 2.416 20 30 BEEDLO Cc1noc(C)c1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602976169 349840564 /nfs/dbraw/zinc/84/05/64/349840564.db2.gz MDNRXUKBQLKIRR-DGCLKSJQSA-N 1 2 233.315 2.416 20 30 BEEDLO C=C[C@H]([NH2+]CC1CCCCCC1)C(=O)OC ZINC000389264275 343685654 /nfs/dbraw/zinc/68/56/54/343685654.db2.gz IZJNDOGIYOOWDX-LBPRGKRZSA-N 1 2 225.332 2.274 20 30 BEEDLO C[N@H+](Cc1cncc(F)c1)[C@H]1CCC[C@H]1C#N ZINC000602979362 349844390 /nfs/dbraw/zinc/84/43/90/349844390.db2.gz CKKOQUATPGJMIL-AAEUAGOBSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1cncc(F)c1)[C@H]1CCC[C@H]1C#N ZINC000602979362 349844393 /nfs/dbraw/zinc/84/43/93/349844393.db2.gz CKKOQUATPGJMIL-AAEUAGOBSA-N 1 2 233.290 2.345 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)nc1 ZINC000602980062 349845361 /nfs/dbraw/zinc/84/53/61/349845361.db2.gz LAIYKHWHCKQXFM-FZMZJTMJSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)nc1 ZINC000602980062 349845362 /nfs/dbraw/zinc/84/53/62/349845362.db2.gz LAIYKHWHCKQXFM-FZMZJTMJSA-N 1 2 245.326 2.214 20 30 BEEDLO N#CCSCCC[N@@H+]1OC2CCC1CC2 ZINC000603030118 349859818 /nfs/dbraw/zinc/85/98/18/349859818.db2.gz BXDQQCQREIHPKD-UHFFFAOYSA-N 1 2 226.345 2.192 20 30 BEEDLO N#CCSCCC[N@H+]1OC2CCC1CC2 ZINC000603030118 349859823 /nfs/dbraw/zinc/85/98/23/349859823.db2.gz BXDQQCQREIHPKD-UHFFFAOYSA-N 1 2 226.345 2.192 20 30 BEEDLO C=CCCC[C@H](C)n1cc(Cn2cc[nH+]c2)nn1 ZINC000641235201 362288577 /nfs/dbraw/zinc/28/85/77/362288577.db2.gz NDLCTXJFZDVYQG-LBPRGKRZSA-N 1 2 245.330 2.440 20 30 BEEDLO CN(C)c1ccc(CSCCC#N)c[nH+]1 ZINC000600553852 344267238 /nfs/dbraw/zinc/26/72/38/344267238.db2.gz ALKMXLKXEKZSQD-UHFFFAOYSA-N 1 2 221.329 2.294 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)on1 ZINC000600859968 344383282 /nfs/dbraw/zinc/38/32/82/344383282.db2.gz ORHWMNCRHIGGCR-ZYHUDNBSSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)on1 ZINC000600859968 344383284 /nfs/dbraw/zinc/38/32/84/344383284.db2.gz ORHWMNCRHIGGCR-ZYHUDNBSSA-N 1 2 219.288 2.107 20 30 BEEDLO CC[N@@H+](Cc1cccnc1)C[C@H](C)C#N ZINC000042449607 344454724 /nfs/dbraw/zinc/45/47/24/344454724.db2.gz NEWBEXCVGXOYTQ-LLVKDONJSA-N 1 2 203.289 2.063 20 30 BEEDLO CC[N@H+](Cc1cccnc1)C[C@H](C)C#N ZINC000042449607 344454725 /nfs/dbraw/zinc/45/47/25/344454725.db2.gz NEWBEXCVGXOYTQ-LLVKDONJSA-N 1 2 203.289 2.063 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(O)cc1 ZINC000084881546 344481717 /nfs/dbraw/zinc/48/17/17/344481717.db2.gz YHOVGJLTCBQWRV-UHFFFAOYSA-N 1 2 204.273 2.128 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(O)cc1 ZINC000084881546 344481719 /nfs/dbraw/zinc/48/17/19/344481719.db2.gz YHOVGJLTCBQWRV-UHFFFAOYSA-N 1 2 204.273 2.128 20 30 BEEDLO CCCCCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000112536856 344644955 /nfs/dbraw/zinc/64/49/55/344644955.db2.gz OPOIRBOGHYDLLC-UHFFFAOYSA-N 1 2 223.320 2.386 20 30 BEEDLO C=CCCC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000370952302 344649159 /nfs/dbraw/zinc/64/91/59/344649159.db2.gz FFXZFBIKBCRGGR-LBPRGKRZSA-N 1 2 247.342 2.151 20 30 BEEDLO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC#N ZINC000115552678 344711600 /nfs/dbraw/zinc/71/16/00/344711600.db2.gz RWPJFCWCNFDCGP-YPMHNXCESA-N 1 2 200.285 2.388 20 30 BEEDLO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC#N ZINC000115552678 344711603 /nfs/dbraw/zinc/71/16/03/344711603.db2.gz RWPJFCWCNFDCGP-YPMHNXCESA-N 1 2 200.285 2.388 20 30 BEEDLO Cc1noc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)n1 ZINC000075732292 344778497 /nfs/dbraw/zinc/77/84/97/344778497.db2.gz VMYGGZXXZVNSFY-SECBINFHSA-N 1 2 242.282 2.101 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1N(C)C ZINC000075682746 344784571 /nfs/dbraw/zinc/78/45/71/344784571.db2.gz VMTJQOIQCBUIMU-LBPRGKRZSA-N 1 2 231.343 2.344 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1N(C)C ZINC000075682746 344784572 /nfs/dbraw/zinc/78/45/72/344784572.db2.gz VMTJQOIQCBUIMU-LBPRGKRZSA-N 1 2 231.343 2.344 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC000121394827 344923627 /nfs/dbraw/zinc/92/36/27/344923627.db2.gz BVHSTCQXULKFCG-UHFFFAOYSA-N 1 2 231.274 2.433 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC000121394827 344923628 /nfs/dbraw/zinc/92/36/28/344923628.db2.gz BVHSTCQXULKFCG-UHFFFAOYSA-N 1 2 231.274 2.433 20 30 BEEDLO N#CCC[NH2+][C@H]1CSc2ccccc21 ZINC000123344377 344996248 /nfs/dbraw/zinc/99/62/48/344996248.db2.gz PTTDMIUGUCGHOF-JTQLQIEISA-N 1 2 204.298 2.337 20 30 BEEDLO NC(=[NH+]OCC1CC1)c1ccc(F)c(F)c1 ZINC000124114280 345028723 /nfs/dbraw/zinc/02/87/23/345028723.db2.gz CTCJBWFHBXNTKY-UHFFFAOYSA-N 1 2 226.226 2.012 20 30 BEEDLO CC[N@H+](CCC#N)CCc1csc(C)n1 ZINC000124931032 345058963 /nfs/dbraw/zinc/05/89/63/345058963.db2.gz DLSPRGJKVPCKOL-UHFFFAOYSA-N 1 2 223.345 2.230 20 30 BEEDLO CC[N@@H+](CCC#N)CCc1csc(C)n1 ZINC000124931032 345058964 /nfs/dbraw/zinc/05/89/64/345058964.db2.gz DLSPRGJKVPCKOL-UHFFFAOYSA-N 1 2 223.345 2.230 20 30 BEEDLO CC#CCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000156016149 345121534 /nfs/dbraw/zinc/12/15/34/345121534.db2.gz WSXUMIWHZNDDHO-CYBMUJFWSA-N 1 2 219.284 2.066 20 30 BEEDLO CC#CCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000156016149 345121536 /nfs/dbraw/zinc/12/15/36/345121536.db2.gz WSXUMIWHZNDDHO-CYBMUJFWSA-N 1 2 219.284 2.066 20 30 BEEDLO C=CC[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641657494 362581495 /nfs/dbraw/zinc/58/14/95/362581495.db2.gz VOADDRUJEDJYPY-GFCCVEGCSA-N 1 2 232.327 2.366 20 30 BEEDLO CC[C@@H]1C[C@H](Nc2cc(C)[nH+]cc2C#N)CCO1 ZINC000425278100 192086850 /nfs/dbraw/zinc/08/68/50/192086850.db2.gz GIPLIBWDICALBQ-CHWSQXEVSA-N 1 2 245.326 2.053 20 30 BEEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1cnccn1 ZINC000248636182 345438557 /nfs/dbraw/zinc/43/85/57/345438557.db2.gz VOQXHDGHKCAPHO-WDEREUQCSA-N 1 2 218.304 2.019 20 30 BEEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1cnccn1 ZINC000248636182 345438561 /nfs/dbraw/zinc/43/85/61/345438561.db2.gz VOQXHDGHKCAPHO-WDEREUQCSA-N 1 2 218.304 2.019 20 30 BEEDLO CC[C@](C)(C#N)C(=O)Nc1cc[nH+]cc1C ZINC000136252242 345493342 /nfs/dbraw/zinc/49/33/42/345493342.db2.gz KBFOBWLKTUWHHW-GFCCVEGCSA-N 1 2 217.272 2.268 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000531440381 323089729 /nfs/dbraw/zinc/08/97/29/323089729.db2.gz OCWBPSAGHGKUAI-LBPRGKRZSA-N 1 2 201.273 2.132 20 30 BEEDLO N#CCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000531440381 323089730 /nfs/dbraw/zinc/08/97/30/323089730.db2.gz OCWBPSAGHGKUAI-LBPRGKRZSA-N 1 2 201.273 2.132 20 30 BEEDLO CCOC(=O)C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000128195289 345571046 /nfs/dbraw/zinc/57/10/46/345571046.db2.gz UNWWWMZGZFSLNU-LLVKDONJSA-N 1 2 246.310 2.114 20 30 BEEDLO CCOC(=O)C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000128195289 345571051 /nfs/dbraw/zinc/57/10/51/345571051.db2.gz UNWWWMZGZFSLNU-LLVKDONJSA-N 1 2 246.310 2.114 20 30 BEEDLO C=CC[C@@H](C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635576062 345846666 /nfs/dbraw/zinc/84/66/66/345846666.db2.gz KOTYTBZWYQYENT-SNVBAGLBSA-N 1 2 243.310 2.337 20 30 BEEDLO COc1cncc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000588967056 345836556 /nfs/dbraw/zinc/83/65/56/345836556.db2.gz FPHNFVMLHFHVAG-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1cncc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000588967056 345836558 /nfs/dbraw/zinc/83/65/58/345836558.db2.gz FPHNFVMLHFHVAG-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO C=C[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635676877 345971043 /nfs/dbraw/zinc/97/10/43/345971043.db2.gz ZGKNJMANXQFLST-VXGBXAGGSA-N 1 2 235.331 2.161 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635770372 346059794 /nfs/dbraw/zinc/05/97/94/346059794.db2.gz MGAFCRJRBDTSRM-QJPTWQEYSA-N 1 2 247.342 2.374 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635770372 346059796 /nfs/dbraw/zinc/05/97/96/346059796.db2.gz MGAFCRJRBDTSRM-QJPTWQEYSA-N 1 2 247.342 2.374 20 30 BEEDLO C=C(C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635820305 346076054 /nfs/dbraw/zinc/07/60/54/346076054.db2.gz NNSYBHHNGCIDMA-GFCCVEGCSA-N 1 2 235.331 2.163 20 30 BEEDLO CCCCc1cc(NCCCCC#N)nc[nH+]1 ZINC000601115002 346152106 /nfs/dbraw/zinc/15/21/06/346152106.db2.gz WXSSDGRISHEJFR-UHFFFAOYSA-N 1 2 232.331 2.347 20 30 BEEDLO CCC[N@H+](CC#N)CC1CC(F)(F)C1 ZINC000394758601 323107791 /nfs/dbraw/zinc/10/77/91/323107791.db2.gz CLCHJYWHGYDJBH-UHFFFAOYSA-N 1 2 202.248 2.267 20 30 BEEDLO CCC[N@@H+](CC#N)CC1CC(F)(F)C1 ZINC000394758601 323107792 /nfs/dbraw/zinc/10/77/92/323107792.db2.gz CLCHJYWHGYDJBH-UHFFFAOYSA-N 1 2 202.248 2.267 20 30 BEEDLO C#C[C@H](C)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000289637333 346207333 /nfs/dbraw/zinc/20/73/33/346207333.db2.gz XIIXZLPIWAIDLA-LURJTMIESA-N 1 2 234.246 2.273 20 30 BEEDLO C=CCCC(C)(C)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000636240117 346365872 /nfs/dbraw/zinc/36/58/72/346365872.db2.gz JNHLQRXPCJPRJC-UHFFFAOYSA-N 1 2 249.358 2.376 20 30 BEEDLO C=CCCSCCNc1cc(CO)cc[nH+]1 ZINC000603409414 349958985 /nfs/dbraw/zinc/95/89/85/349958985.db2.gz WUAAPABYUSTELO-UHFFFAOYSA-N 1 2 238.356 2.295 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CC[C@H](C)C[C@@H]1C)C(=O)OC ZINC000300768425 346502435 /nfs/dbraw/zinc/50/24/35/346502435.db2.gz AHLMAIZNYHNSDO-FIQHERPVSA-N 1 2 225.332 2.128 20 30 BEEDLO C=CC[C@@H](CC)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000580094312 346520163 /nfs/dbraw/zinc/52/01/63/346520163.db2.gz NHLMCVZWIMDNOL-WDEREUQCSA-N 1 2 235.331 2.059 20 30 BEEDLO C=CC[C@@H](CC)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580094312 346520166 /nfs/dbraw/zinc/52/01/66/346520166.db2.gz NHLMCVZWIMDNOL-WDEREUQCSA-N 1 2 235.331 2.059 20 30 BEEDLO C=CC[C@H](CC)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000580094311 346520517 /nfs/dbraw/zinc/52/05/17/346520517.db2.gz NHLMCVZWIMDNOL-QWRGUYRKSA-N 1 2 235.331 2.059 20 30 BEEDLO C=CC[C@H](CC)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000580094311 346520521 /nfs/dbraw/zinc/52/05/21/346520521.db2.gz NHLMCVZWIMDNOL-QWRGUYRKSA-N 1 2 235.331 2.059 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1cccc(C)c1C ZINC000589999025 346761318 /nfs/dbraw/zinc/76/13/18/346761318.db2.gz PUCNYHVQRGBXMV-AWEZNQCLSA-N 1 2 247.338 2.463 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1cccc(C)c1C ZINC000589999025 346761320 /nfs/dbraw/zinc/76/13/20/346761320.db2.gz PUCNYHVQRGBXMV-AWEZNQCLSA-N 1 2 247.338 2.463 20 30 BEEDLO N#Cc1ccc(CNc2c[nH]c[nH+]2)c(F)c1 ZINC000309572443 347105528 /nfs/dbraw/zinc/10/55/28/347105528.db2.gz NLHMIABVSHXIBV-UHFFFAOYSA-N 1 2 216.219 2.033 20 30 BEEDLO CC[C@@H](CC#N)NCc1[nH+]ccn1C(C)C ZINC000571294996 323140645 /nfs/dbraw/zinc/14/06/45/323140645.db2.gz LXUVUWKLMDRQPI-NSHDSACASA-N 1 2 220.320 2.246 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1nccn1C(C)C ZINC000571294996 323140646 /nfs/dbraw/zinc/14/06/46/323140646.db2.gz LXUVUWKLMDRQPI-NSHDSACASA-N 1 2 220.320 2.246 20 30 BEEDLO C#CCCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000190541562 347331908 /nfs/dbraw/zinc/33/19/08/347331908.db2.gz ZZEDNMVMCHVNTM-UHFFFAOYSA-N 1 2 202.257 2.132 20 30 BEEDLO CCc1noc(C)c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000582117895 347383528 /nfs/dbraw/zinc/38/35/28/347383528.db2.gz NDWIQPLBBPJMHX-LLVKDONJSA-N 1 2 246.314 2.079 20 30 BEEDLO C[C@H]1C[C@@H](Nc2ncccc2C#N)c2[nH+]ccn21 ZINC000590723744 347494072 /nfs/dbraw/zinc/49/40/72/347494072.db2.gz ZACQZIOVHRRWFH-GXSJLCMTSA-N 1 2 239.282 2.268 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000590760493 347522976 /nfs/dbraw/zinc/52/29/76/347522976.db2.gz CRXFCNRBAVYUQQ-BLLLJJGKSA-N 1 2 241.400 2.021 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000590760493 347522978 /nfs/dbraw/zinc/52/29/78/347522978.db2.gz CRXFCNRBAVYUQQ-BLLLJJGKSA-N 1 2 241.400 2.021 20 30 BEEDLO Cc1nc(C[NH2+]C[C@H](C#N)CCC#N)sc1C ZINC000591745656 347695208 /nfs/dbraw/zinc/69/52/08/347695208.db2.gz PXWVKOACCBNWFE-NSHDSACASA-N 1 2 248.355 2.293 20 30 BEEDLO COc1ccc2c(c1)OCC[C@@H]2[NH2+]CCC#N ZINC000591745303 347695308 /nfs/dbraw/zinc/69/53/08/347695308.db2.gz KNUDYZFRZQNDTJ-LBPRGKRZSA-N 1 2 232.283 2.022 20 30 BEEDLO Cc1cc(N2CC(C(C)C)C2)c(C#N)c[nH+]1 ZINC000591822230 347701291 /nfs/dbraw/zinc/70/12/91/347701291.db2.gz KXTNJUSCHXPFMQ-UHFFFAOYSA-N 1 2 215.300 2.354 20 30 BEEDLO C=C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592070146 347727710 /nfs/dbraw/zinc/72/77/10/347727710.db2.gz GKUIKZWTDUHDER-UHFFFAOYSA-N 1 2 213.284 2.105 20 30 BEEDLO CC1=CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592120927 347736423 /nfs/dbraw/zinc/73/64/23/347736423.db2.gz KWPOZPPYHMOBSE-UHFFFAOYSA-N 1 2 213.284 2.105 20 30 BEEDLO CC1=CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592120927 347736425 /nfs/dbraw/zinc/73/64/25/347736425.db2.gz KWPOZPPYHMOBSE-UHFFFAOYSA-N 1 2 213.284 2.105 20 30 BEEDLO N#C[C@H]1CC[C@@H]([N@@H+]2CCCC(F)(F)C2)C1 ZINC000593052205 347853115 /nfs/dbraw/zinc/85/31/15/347853115.db2.gz HCESHYQOVQEKDL-VHSXEESVSA-N 1 2 214.259 2.410 20 30 BEEDLO N#C[C@H]1CC[C@@H]([N@H+]2CCCC(F)(F)C2)C1 ZINC000593052205 347853116 /nfs/dbraw/zinc/85/31/16/347853116.db2.gz HCESHYQOVQEKDL-VHSXEESVSA-N 1 2 214.259 2.410 20 30 BEEDLO C=CCN(Cc1[nH+]ccn1CC)CC(F)(F)F ZINC000535084255 323165985 /nfs/dbraw/zinc/16/59/85/323165985.db2.gz YYVVBJKLKFQWFU-UHFFFAOYSA-N 1 2 247.264 2.453 20 30 BEEDLO Cn1ccc(C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593696225 347929969 /nfs/dbraw/zinc/92/99/69/347929969.db2.gz GAUAHEZLNCVTEL-UHFFFAOYSA-N 1 2 237.306 2.413 20 30 BEEDLO Cn1ccc(C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593696225 347929971 /nfs/dbraw/zinc/92/99/71/347929971.db2.gz GAUAHEZLNCVTEL-UHFFFAOYSA-N 1 2 237.306 2.413 20 30 BEEDLO Cc1cc(NC2C[C@@H](C)O[C@H](C)C2)c(C#N)c[nH+]1 ZINC000577366730 365934990 /nfs/dbraw/zinc/93/49/90/365934990.db2.gz DQEMJWCEXPLPCW-GHMZBOCLSA-N 1 2 245.326 2.052 20 30 BEEDLO N#Cc1csc(C[NH2+]CC2(C#N)CCCC2)n1 ZINC000593654610 347922362 /nfs/dbraw/zinc/92/23/62/347922362.db2.gz KMQFRCOQVOPSQU-UHFFFAOYSA-N 1 2 246.339 2.188 20 30 BEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCCCC#N ZINC000594043940 347987616 /nfs/dbraw/zinc/98/76/16/347987616.db2.gz NHSCNEZBGVSDST-LLVKDONJSA-N 1 2 248.330 2.164 20 30 BEEDLO Cc1n[nH]cc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594615034 348083374 /nfs/dbraw/zinc/08/33/74/348083374.db2.gz QZDSGEPKHWKMIW-UHFFFAOYSA-N 1 2 238.294 2.106 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnc2ccccc2n1 ZINC000595335170 348220906 /nfs/dbraw/zinc/22/09/06/348220906.db2.gz VTEXIBAYUNRYKP-UHFFFAOYSA-N 1 2 240.310 2.365 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnc2ccccc2n1 ZINC000595335170 348220910 /nfs/dbraw/zinc/22/09/10/348220910.db2.gz VTEXIBAYUNRYKP-UHFFFAOYSA-N 1 2 240.310 2.365 20 30 BEEDLO N#CC[N@@H+](CCO[C@@H]1CC1(F)F)C1CCCC1 ZINC000595329441 348227509 /nfs/dbraw/zinc/22/75/09/348227509.db2.gz SMFKQZVSVLNSLQ-LLVKDONJSA-N 1 2 244.285 2.179 20 30 BEEDLO N#CC[N@H+](CCO[C@@H]1CC1(F)F)C1CCCC1 ZINC000595329441 348227512 /nfs/dbraw/zinc/22/75/12/348227512.db2.gz SMFKQZVSVLNSLQ-LLVKDONJSA-N 1 2 244.285 2.179 20 30 BEEDLO C=CCNC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119231198 348206274 /nfs/dbraw/zinc/20/62/74/348206274.db2.gz WCRZJGDNIFFIBY-NSHDSACASA-N 1 2 248.326 2.107 20 30 BEEDLO C=CCNC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119231198 348206276 /nfs/dbraw/zinc/20/62/76/348206276.db2.gz WCRZJGDNIFFIBY-NSHDSACASA-N 1 2 248.326 2.107 20 30 BEEDLO C[C@]1(C#N)CCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000595424467 348246121 /nfs/dbraw/zinc/24/61/21/348246121.db2.gz IQFCKDJCAYJDMV-WDEREUQCSA-N 1 2 244.285 2.036 20 30 BEEDLO C[C@]1(C#N)CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000595424467 348246123 /nfs/dbraw/zinc/24/61/23/348246123.db2.gz IQFCKDJCAYJDMV-WDEREUQCSA-N 1 2 244.285 2.036 20 30 BEEDLO Cc1cc(C[N@H+](CCC#N)CC2CC2)nc(C)n1 ZINC000595332198 348228136 /nfs/dbraw/zinc/22/81/36/348228136.db2.gz GRBKKIZGDGBEKG-UHFFFAOYSA-N 1 2 244.342 2.219 20 30 BEEDLO Cc1cc(C[N@@H+](CCC#N)CC2CC2)nc(C)n1 ZINC000595332198 348228138 /nfs/dbraw/zinc/22/81/38/348228138.db2.gz GRBKKIZGDGBEKG-UHFFFAOYSA-N 1 2 244.342 2.219 20 30 BEEDLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595613299 348288419 /nfs/dbraw/zinc/28/84/19/348288419.db2.gz ACWALERPRBTFFZ-ONGXEEELSA-N 1 2 234.303 2.065 20 30 BEEDLO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595613299 348288420 /nfs/dbraw/zinc/28/84/20/348288420.db2.gz ACWALERPRBTFFZ-ONGXEEELSA-N 1 2 234.303 2.065 20 30 BEEDLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC000595615138 348289076 /nfs/dbraw/zinc/28/90/76/348289076.db2.gz GRWKULBUBNFSIX-WDEREUQCSA-N 1 2 247.346 2.054 20 30 BEEDLO CCc1nnc([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC000595615138 348289078 /nfs/dbraw/zinc/28/90/78/348289078.db2.gz GRWKULBUBNFSIX-WDEREUQCSA-N 1 2 247.346 2.054 20 30 BEEDLO C[C@@H](C#N)[N@H+](CCC[C@H]1CCOC1)C1CC1 ZINC000595709294 348320940 /nfs/dbraw/zinc/32/09/40/348320940.db2.gz DSVDDWAUTSAURV-RYUDHWBXSA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@@H](C#N)[N@@H+](CCC[C@H]1CCOC1)C1CC1 ZINC000595709294 348320942 /nfs/dbraw/zinc/32/09/42/348320942.db2.gz DSVDDWAUTSAURV-RYUDHWBXSA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@@H](C#N)[N@H+](C[C@@H]1CCO[C@H](C)C1)C1CC1 ZINC000595709917 348321372 /nfs/dbraw/zinc/32/13/72/348321372.db2.gz KJXSRNJDNCYFTA-QJPTWQEYSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@@H](C#N)[N@@H+](C[C@@H]1CCO[C@H](C)C1)C1CC1 ZINC000595709917 348321376 /nfs/dbraw/zinc/32/13/76/348321376.db2.gz KJXSRNJDNCYFTA-QJPTWQEYSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1cscn1 ZINC000595668935 348302685 /nfs/dbraw/zinc/30/26/85/348302685.db2.gz RQCGHHUIFUNIND-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO C[C@H](C#N)[N@H+](CCC1CCOCC1)C1CC1 ZINC000595710953 348323371 /nfs/dbraw/zinc/32/33/71/348323371.db2.gz XUGYWYYGXCQWSB-LLVKDONJSA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@H](C#N)[N@@H+](CCC1CCOCC1)C1CC1 ZINC000595710953 348323374 /nfs/dbraw/zinc/32/33/74/348323374.db2.gz XUGYWYYGXCQWSB-LLVKDONJSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[N@H+](CCc1ccc(OC)cc1)[C@@H](C)C#N ZINC000595811320 348351224 /nfs/dbraw/zinc/35/12/24/348351224.db2.gz APVAIDDFZHDFAS-LBPRGKRZSA-N 1 2 232.327 2.472 20 30 BEEDLO CC[N@@H+](CCc1ccc(OC)cc1)[C@@H](C)C#N ZINC000595811320 348351225 /nfs/dbraw/zinc/35/12/25/348351225.db2.gz APVAIDDFZHDFAS-LBPRGKRZSA-N 1 2 232.327 2.472 20 30 BEEDLO C[C@H](C#N)N(Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000595714637 348325719 /nfs/dbraw/zinc/32/57/19/348325719.db2.gz XMEQTZBYSRABJB-LLVKDONJSA-N 1 2 240.310 2.211 20 30 BEEDLO C[C@]1(C#N)CCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000595833954 348367559 /nfs/dbraw/zinc/36/75/59/348367559.db2.gz JDOBSQVAPRPTNJ-CQSZACIVSA-N 1 2 240.310 2.070 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000595834735 348367965 /nfs/dbraw/zinc/36/79/65/348367965.db2.gz LKPUQYGTXIKBDK-AWEZNQCLSA-N 1 2 225.295 2.294 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000595834735 348367966 /nfs/dbraw/zinc/36/79/66/348367966.db2.gz LKPUQYGTXIKBDK-AWEZNQCLSA-N 1 2 225.295 2.294 20 30 BEEDLO CCOc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)nc1 ZINC000595836940 348371100 /nfs/dbraw/zinc/37/11/00/348371100.db2.gz BSASLUWAWJJFBY-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO CCOc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)nc1 ZINC000595836940 348371102 /nfs/dbraw/zinc/37/11/02/348371102.db2.gz BSASLUWAWJJFBY-CQSZACIVSA-N 1 2 245.326 2.216 20 30 BEEDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595841742 348377305 /nfs/dbraw/zinc/37/73/05/348377305.db2.gz NTBDYTNYVVFGRR-DGCLKSJQSA-N 1 2 230.315 2.082 20 30 BEEDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@](C)(C#N)C2)cn1 ZINC000595841742 348377306 /nfs/dbraw/zinc/37/73/06/348377306.db2.gz NTBDYTNYVVFGRR-DGCLKSJQSA-N 1 2 230.315 2.082 20 30 BEEDLO CC(C)(C)n1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595841898 348377379 /nfs/dbraw/zinc/37/73/79/348377379.db2.gz PHDMXGFBYRSAMC-AWEZNQCLSA-N 1 2 246.358 2.374 20 30 BEEDLO CC(C)(C)n1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000595841898 348377382 /nfs/dbraw/zinc/37/73/82/348377382.db2.gz PHDMXGFBYRSAMC-AWEZNQCLSA-N 1 2 246.358 2.374 20 30 BEEDLO Cc1noc(C)c1CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842411 348377840 /nfs/dbraw/zinc/37/78/40/348377840.db2.gz FBUZTPPCKVWLJL-CYBMUJFWSA-N 1 2 233.315 2.070 20 30 BEEDLO Cc1noc(C)c1CC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842411 348377844 /nfs/dbraw/zinc/37/78/44/348377844.db2.gz FBUZTPPCKVWLJL-CYBMUJFWSA-N 1 2 233.315 2.070 20 30 BEEDLO CC(C)n1nccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842680 348379372 /nfs/dbraw/zinc/37/93/72/348379372.db2.gz GRWUFEXQZHDGPU-CYBMUJFWSA-N 1 2 232.331 2.200 20 30 BEEDLO CC(C)n1nccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842680 348379374 /nfs/dbraw/zinc/37/93/74/348379374.db2.gz GRWUFEXQZHDGPU-CYBMUJFWSA-N 1 2 232.331 2.200 20 30 BEEDLO Cc1ccncc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844012 348381012 /nfs/dbraw/zinc/38/10/12/348381012.db2.gz OLIKEWAPLATJQF-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ccncc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595844012 348381015 /nfs/dbraw/zinc/38/10/15/348381015.db2.gz OLIKEWAPLATJQF-ZDUSSCGKSA-N 1 2 215.300 2.126 20 30 BEEDLO CC[N@H+](C[C@H](CC(C)C)OC)[C@H](C)C#N ZINC000595818469 348358471 /nfs/dbraw/zinc/35/84/71/348358471.db2.gz NUHJECQPSROQKL-NEPJUHHUSA-N 1 2 212.337 2.281 20 30 BEEDLO CC[N@@H+](C[C@H](CC(C)C)OC)[C@H](C)C#N ZINC000595818469 348358472 /nfs/dbraw/zinc/35/84/72/348358472.db2.gz NUHJECQPSROQKL-NEPJUHHUSA-N 1 2 212.337 2.281 20 30 BEEDLO CC[N@H+](CCC1(OC)CCC1)[C@@H](C)C#N ZINC000595820126 348360788 /nfs/dbraw/zinc/36/07/88/348360788.db2.gz JYOZWNQBCAKLOB-NSHDSACASA-N 1 2 210.321 2.180 20 30 BEEDLO CC[N@@H+](CCC1(OC)CCC1)[C@@H](C)C#N ZINC000595820126 348360791 /nfs/dbraw/zinc/36/07/91/348360791.db2.gz JYOZWNQBCAKLOB-NSHDSACASA-N 1 2 210.321 2.180 20 30 BEEDLO CC[N@H+](CCCC1CCOCC1)[C@@H](C)C#N ZINC000595820660 348362730 /nfs/dbraw/zinc/36/27/30/348362730.db2.gz OQFVZMADPSBSDH-LBPRGKRZSA-N 1 2 224.348 2.427 20 30 BEEDLO CC[N@@H+](CCCC1CCOCC1)[C@@H](C)C#N ZINC000595820660 348362733 /nfs/dbraw/zinc/36/27/33/348362733.db2.gz OQFVZMADPSBSDH-LBPRGKRZSA-N 1 2 224.348 2.427 20 30 BEEDLO C=CCCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000264800031 187397294 /nfs/dbraw/zinc/39/72/94/187397294.db2.gz UAZWHCQTORTGDT-UHFFFAOYSA-N 1 2 243.310 2.225 20 30 BEEDLO C#Cc1cccc(N(CC)Cc2c[nH+]cn2C)c1 ZINC000267654419 187398223 /nfs/dbraw/zinc/39/82/23/187398223.db2.gz YLYNMMSEQOGLGH-UHFFFAOYSA-N 1 2 239.322 2.428 20 30 BEEDLO N#CC1(CSCCn2cc[nH+]c2)CCC1 ZINC000419576478 192142426 /nfs/dbraw/zinc/14/24/26/192142426.db2.gz FZBQZJOISFOWMF-UHFFFAOYSA-N 1 2 221.329 2.310 20 30 BEEDLO Cc1cc(N(C)CC2=CCCOC2)c(C#N)c[nH+]1 ZINC000596465176 348544435 /nfs/dbraw/zinc/54/44/35/348544435.db2.gz JAZQSTSSQHELTB-UHFFFAOYSA-N 1 2 243.310 2.045 20 30 BEEDLO Cc1cc(N2CCC[C@@H](CC#N)C2)c(C#N)c[nH+]1 ZINC000596326319 348508205 /nfs/dbraw/zinc/50/82/05/348508205.db2.gz RNZHRZBABYMKFH-LBPRGKRZSA-N 1 2 240.310 2.392 20 30 BEEDLO Cc1ccnc(N[C@H](C)c2[nH+]ccn2C)c1C#N ZINC000596539773 348583016 /nfs/dbraw/zinc/58/30/16/348583016.db2.gz BRGITBUPPSUSJM-SNVBAGLBSA-N 1 2 241.298 2.168 20 30 BEEDLO Cc1ccc(Cc2noc([C@H](C)CC#N)n2)c[nH+]1 ZINC000596585625 348592673 /nfs/dbraw/zinc/59/26/73/348592673.db2.gz OWDGMTLXVPKKFS-SECBINFHSA-N 1 2 242.282 2.381 20 30 BEEDLO Cc1cc[nH+]cc1Cc1noc([C@H](C)CC#N)n1 ZINC000596617549 348594215 /nfs/dbraw/zinc/59/42/15/348594215.db2.gz UGKVYAZQIMTVEA-SNVBAGLBSA-N 1 2 242.282 2.381 20 30 BEEDLO Cc1cc(NC[C@@]2(C)CC2(F)F)c(C#N)c[nH+]1 ZINC000596478806 348556339 /nfs/dbraw/zinc/55/63/39/348556339.db2.gz SEYQPNLCUFNLRF-LLVKDONJSA-N 1 2 237.253 2.141 20 30 BEEDLO C[C@H](CC#N)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000597010860 348649906 /nfs/dbraw/zinc/64/99/06/348649906.db2.gz XTTYKCJOVDTMDL-MNOVXSKESA-N 1 2 246.314 2.013 20 30 BEEDLO Cc1cn2cc(NC(=O)[C@@H](C)CC#N)ccc2[nH+]1 ZINC000597056989 348654081 /nfs/dbraw/zinc/65/40/81/348654081.db2.gz BIODUYKGVFSURP-VIFPVBQESA-N 1 2 242.282 2.131 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccnn1CC1CC1 ZINC000597087639 348656742 /nfs/dbraw/zinc/65/67/42/348656742.db2.gz VCXCKHVHPOBCND-GFCCVEGCSA-N 1 2 232.331 2.075 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000597121729 348663834 /nfs/dbraw/zinc/66/38/34/348663834.db2.gz SSHOSHIHAOLHIL-UHFFFAOYSA-N 1 2 240.228 2.497 20 30 BEEDLO CC(C)n1ccnc1C[NH2+]CC1(C#N)CCC1 ZINC000597152461 348665115 /nfs/dbraw/zinc/66/51/15/348665115.db2.gz BABHQGPHMXTUEC-UHFFFAOYSA-N 1 2 232.331 2.247 20 30 BEEDLO CC(C)n1cc[nH+]c1CNCC1(C#N)CCC1 ZINC000597152461 348665118 /nfs/dbraw/zinc/66/51/18/348665118.db2.gz BABHQGPHMXTUEC-UHFFFAOYSA-N 1 2 232.331 2.247 20 30 BEEDLO CC[N@@H+](Cc1c(C2CC2)cnn1C)C[C@@H](C)C#N ZINC000596990488 348643438 /nfs/dbraw/zinc/64/34/38/348643438.db2.gz CVIJNEAZLPIDFH-NSHDSACASA-N 1 2 246.358 2.279 20 30 BEEDLO CC[N@H+](Cc1c(C2CC2)cnn1C)C[C@@H](C)C#N ZINC000596990488 348643440 /nfs/dbraw/zinc/64/34/40/348643440.db2.gz CVIJNEAZLPIDFH-NSHDSACASA-N 1 2 246.358 2.279 20 30 BEEDLO COCc1csc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000596989862 348643454 /nfs/dbraw/zinc/64/34/54/348643454.db2.gz BCGUPIOMOIOQKD-SNVBAGLBSA-N 1 2 238.356 2.486 20 30 BEEDLO COCc1csc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000596989862 348643456 /nfs/dbraw/zinc/64/34/56/348643456.db2.gz BCGUPIOMOIOQKD-SNVBAGLBSA-N 1 2 238.356 2.486 20 30 BEEDLO Cc1ccc(NC(=O)[C@@H](C)CC#N)c(C)[nH+]1 ZINC000597369045 348724462 /nfs/dbraw/zinc/72/44/62/348724462.db2.gz IPYMRGDBYOXMRS-QMMMGPOBSA-N 1 2 217.272 2.187 20 30 BEEDLO Cn1ncc(C2CCC2)c1C[NH+]1CC(CC#N)C1 ZINC000597203568 348677227 /nfs/dbraw/zinc/67/72/27/348677227.db2.gz LAGRQWLLBHLYMH-UHFFFAOYSA-N 1 2 244.342 2.033 20 30 BEEDLO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000597186499 348683720 /nfs/dbraw/zinc/68/37/20/348683720.db2.gz GYSZOHSHBZLHDN-SNVBAGLBSA-N 1 2 246.301 2.018 20 30 BEEDLO CC(C)(CCC#N)C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000597186499 348683723 /nfs/dbraw/zinc/68/37/23/348683723.db2.gz GYSZOHSHBZLHDN-SNVBAGLBSA-N 1 2 246.301 2.018 20 30 BEEDLO CC(C)n1c[nH+]cc1CN1CC[C@@](C)(C#N)C1 ZINC000597231391 348699216 /nfs/dbraw/zinc/69/92/16/348699216.db2.gz NBHKFFAVRRIJEP-ZDUSSCGKSA-N 1 2 232.331 2.200 20 30 BEEDLO Cn1ncc(C2CC2)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597232319 348699740 /nfs/dbraw/zinc/69/97/40/348699740.db2.gz SXOYTYGZMIMVHU-AWEZNQCLSA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1ncc(C2CC2)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232319 348699744 /nfs/dbraw/zinc/69/97/44/348699744.db2.gz SXOYTYGZMIMVHU-AWEZNQCLSA-N 1 2 244.342 2.033 20 30 BEEDLO Cc1cccnc1C[N@@H+](C)CC(C)(C)C#N ZINC000354017526 348780687 /nfs/dbraw/zinc/78/06/87/348780687.db2.gz KOZOLUJWNPFHSA-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO Cc1cccnc1C[N@H+](C)CC(C)(C)C#N ZINC000354017526 348780691 /nfs/dbraw/zinc/78/06/91/348780691.db2.gz KOZOLUJWNPFHSA-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO Cc1c[nH+]cc(NCc2ccc(C#N)o2)c1 ZINC000119616654 179681361 /nfs/dbraw/zinc/68/13/61/179681361.db2.gz DSNJMMQQIISOPC-UHFFFAOYSA-N 1 2 213.240 2.467 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000054179078 348889944 /nfs/dbraw/zinc/88/99/44/348889944.db2.gz IWAITLPBNGRXIS-GFCCVEGCSA-N 1 2 240.310 2.122 20 30 BEEDLO CC(C)(C#N)C[C@H](O)C[N@H+](CC(F)F)C1CC1 ZINC000598588777 348996737 /nfs/dbraw/zinc/99/67/37/348996737.db2.gz NZDAIAGJRWPVMK-JTQLQIEISA-N 1 2 246.301 2.017 20 30 BEEDLO CC(C)(C#N)C[C@H](O)C[N@@H+](CC(F)F)C1CC1 ZINC000598588777 348996740 /nfs/dbraw/zinc/99/67/40/348996740.db2.gz NZDAIAGJRWPVMK-JTQLQIEISA-N 1 2 246.301 2.017 20 30 BEEDLO N#CCC[NH+]1CC(Cc2ccsc2)C1 ZINC000598706064 349022882 /nfs/dbraw/zinc/02/28/82/349022882.db2.gz PIXLTBZKLCBSSR-UHFFFAOYSA-N 1 2 206.314 2.136 20 30 BEEDLO N#CCC[C@@H](C#N)C[NH+]1CC(Cc2ccco2)C1 ZINC000601965342 349404088 /nfs/dbraw/zinc/40/40/88/349404088.db2.gz UISUZLYNULSUFI-LBPRGKRZSA-N 1 2 243.310 2.197 20 30 BEEDLO C=C[C@H]([NH2+][C@H]1CC[C@H](CC)CC1)C(=O)OC ZINC000390778390 350081506 /nfs/dbraw/zinc/08/15/06/350081506.db2.gz HGCYYBZCGWLZQF-SRVKXCTJSA-N 1 2 225.332 2.272 20 30 BEEDLO C=C[C@@H](C)Nc1cc(N[C@H](C)C=C)[nH+]cn1 ZINC000126910811 191007743 /nfs/dbraw/zinc/00/77/43/191007743.db2.gz LTOHAIZRVPAWIX-NXEZZACHSA-N 1 2 218.304 2.449 20 30 BEEDLO Cc1noc(C)c1CC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000336707362 350460192 /nfs/dbraw/zinc/46/01/92/350460192.db2.gz KMZPMLGPPPWMKT-JTQLQIEISA-N 1 2 247.342 2.458 20 30 BEEDLO Cc1noc(C)c1CC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000336707362 350460197 /nfs/dbraw/zinc/46/01/97/350460197.db2.gz KMZPMLGPPPWMKT-JTQLQIEISA-N 1 2 247.342 2.458 20 30 BEEDLO N#CCC[N@@H+](Cc1ccco1)C[C@H]1CCCOC1 ZINC000336709549 350461738 /nfs/dbraw/zinc/46/17/38/350461738.db2.gz LZOCCJKWBCIRTL-CYBMUJFWSA-N 1 2 248.326 2.422 20 30 BEEDLO N#CCC[N@H+](Cc1ccco1)C[C@H]1CCCOC1 ZINC000336709549 350461742 /nfs/dbraw/zinc/46/17/42/350461742.db2.gz LZOCCJKWBCIRTL-CYBMUJFWSA-N 1 2 248.326 2.422 20 30 BEEDLO CC(C)(C)c1nc(NCCCC#N)cc[nH+]1 ZINC000309523091 350701136 /nfs/dbraw/zinc/70/11/36/350701136.db2.gz ARDUTUNRDOMTJM-UHFFFAOYSA-N 1 2 218.304 2.490 20 30 BEEDLO C=CC(C)(C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000628316296 351048492 /nfs/dbraw/zinc/04/84/92/351048492.db2.gz QALDCGKMUQXMBH-UHFFFAOYSA-N 1 2 221.304 2.050 20 30 BEEDLO Cc1cccc(OCC[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000070869806 351074416 /nfs/dbraw/zinc/07/44/16/351074416.db2.gz KFZQWGZDHOQENN-ZDUSSCGKSA-N 1 2 232.327 2.465 20 30 BEEDLO Cc1cccc(OCC[N@H+](C)C[C@@H](C)C#N)c1 ZINC000070869806 351074418 /nfs/dbraw/zinc/07/44/18/351074418.db2.gz KFZQWGZDHOQENN-ZDUSSCGKSA-N 1 2 232.327 2.465 20 30 BEEDLO C=CC[C@H](CC)Nc1nc[nH+]c(N)c1Cl ZINC000336715354 351098601 /nfs/dbraw/zinc/09/86/01/351098601.db2.gz WOFBGIWFWYCWDE-ZETCQYMHSA-N 1 2 226.711 2.479 20 30 BEEDLO C=CC[C@H](CC)Nc1[nH+]cnc(N)c1Cl ZINC000336715354 351098603 /nfs/dbraw/zinc/09/86/03/351098603.db2.gz WOFBGIWFWYCWDE-ZETCQYMHSA-N 1 2 226.711 2.479 20 30 BEEDLO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)(F)F ZINC000389459023 351170680 /nfs/dbraw/zinc/17/06/80/351170680.db2.gz AVNPAJZZAXIVKZ-MRVPVSSYSA-N 1 2 227.258 2.030 20 30 BEEDLO Cc1ccc(C#N)cc1NCc1c[nH+]cn1C ZINC000090167159 363018437 /nfs/dbraw/zinc/01/84/37/363018437.db2.gz KICDGEVXIIZINH-UHFFFAOYSA-N 1 2 226.283 2.212 20 30 BEEDLO C=CC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000072577102 351278967 /nfs/dbraw/zinc/27/89/67/351278967.db2.gz JWSDUDYCKUKBAG-UHFFFAOYSA-N 1 2 238.718 2.396 20 30 BEEDLO C=CC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000072577102 351278970 /nfs/dbraw/zinc/27/89/70/351278970.db2.gz JWSDUDYCKUKBAG-UHFFFAOYSA-N 1 2 238.718 2.396 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc2c1OCO2 ZINC000271124643 351403287 /nfs/dbraw/zinc/40/32/87/351403287.db2.gz KBBZHTDCHGYINV-SNVBAGLBSA-N 1 2 232.283 2.007 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc2c1OCO2 ZINC000271124643 351403292 /nfs/dbraw/zinc/40/32/92/351403292.db2.gz KBBZHTDCHGYINV-SNVBAGLBSA-N 1 2 232.283 2.007 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc(F)c1O ZINC000272246368 351465813 /nfs/dbraw/zinc/46/58/13/351465813.db2.gz HMYBPEBZZQJWIZ-UHFFFAOYSA-N 1 2 222.263 2.267 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc(F)c1O ZINC000272246368 351465816 /nfs/dbraw/zinc/46/58/16/351465816.db2.gz HMYBPEBZZQJWIZ-UHFFFAOYSA-N 1 2 222.263 2.267 20 30 BEEDLO CCC[N@@H+](CC#N)CCC1CCOCC1 ZINC000336727679 351529705 /nfs/dbraw/zinc/52/97/05/351529705.db2.gz HPNUEVAYCMOOFE-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO CCC[N@H+](CC#N)CCC1CCOCC1 ZINC000336727679 351529710 /nfs/dbraw/zinc/52/97/10/351529710.db2.gz HPNUEVAYCMOOFE-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO C[C@@H](CCC#N)[N@H+](C)Cc1nccs1 ZINC000276361067 351618272 /nfs/dbraw/zinc/61/82/72/351618272.db2.gz YOYBJVPQDGLIRU-VIFPVBQESA-N 1 2 209.318 2.267 20 30 BEEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1nccs1 ZINC000276361067 351618276 /nfs/dbraw/zinc/61/82/76/351618276.db2.gz YOYBJVPQDGLIRU-VIFPVBQESA-N 1 2 209.318 2.267 20 30 BEEDLO C[N@H+](Cc1cscn1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278651270 351774941 /nfs/dbraw/zinc/77/49/41/351774941.db2.gz PVTCSNBMZBWRHG-MWLCHTKSSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1cscn1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278651270 351774945 /nfs/dbraw/zinc/77/49/45/351774945.db2.gz PVTCSNBMZBWRHG-MWLCHTKSSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@H+](Cc1cscn1)[C@H]1CC[C@H](C#N)C1 ZINC000278651274 351774654 /nfs/dbraw/zinc/77/46/54/351774654.db2.gz PVTCSNBMZBWRHG-ONGXEEELSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1cscn1)[C@H]1CC[C@H](C#N)C1 ZINC000278651274 351774658 /nfs/dbraw/zinc/77/46/58/351774658.db2.gz PVTCSNBMZBWRHG-ONGXEEELSA-N 1 2 221.329 2.267 20 30 BEEDLO C[C@H](/[NH+]=C/c1ccccc1O)[C@@H]1CCOC1 ZINC000281039507 351873201 /nfs/dbraw/zinc/87/32/01/351873201.db2.gz PGNHAEGWARCDMR-CRDGFYCKSA-N 1 2 219.284 2.236 20 30 BEEDLO Cc1noc([C@@H]2CCCC[N@@H+]2CCCC#N)n1 ZINC000285516761 352047064 /nfs/dbraw/zinc/04/70/64/352047064.db2.gz DQCNYMAPYQUAGD-NSHDSACASA-N 1 2 234.303 2.209 20 30 BEEDLO Cc1noc([C@@H]2CCCC[N@H+]2CCCC#N)n1 ZINC000285516761 352047071 /nfs/dbraw/zinc/04/70/71/352047071.db2.gz DQCNYMAPYQUAGD-NSHDSACASA-N 1 2 234.303 2.209 20 30 BEEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000339761186 191147817 /nfs/dbraw/zinc/14/78/17/191147817.db2.gz NYTUHGDYXLNTHL-CYBMUJFWSA-N 1 2 244.338 2.277 20 30 BEEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000339761186 191147819 /nfs/dbraw/zinc/14/78/19/191147819.db2.gz NYTUHGDYXLNTHL-CYBMUJFWSA-N 1 2 244.338 2.277 20 30 BEEDLO N#CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285981540 352069034 /nfs/dbraw/zinc/06/90/34/352069034.db2.gz NZWBVSPEOSSNLQ-ILXRZTDVSA-N 1 2 242.322 2.014 20 30 BEEDLO N#CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285981540 352069040 /nfs/dbraw/zinc/06/90/40/352069040.db2.gz NZWBVSPEOSSNLQ-ILXRZTDVSA-N 1 2 242.322 2.014 20 30 BEEDLO C[C@@H]1COCC[C@@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000285380468 352040758 /nfs/dbraw/zinc/04/07/58/352040758.db2.gz OPWXBCKVBIZRJO-VTVUARRKSA-N 1 2 249.310 2.189 20 30 BEEDLO CC[C@@](C)(C#N)C(=O)Nc1cccc2[nH+]ccn21 ZINC000288492728 352153364 /nfs/dbraw/zinc/15/33/64/352153364.db2.gz HKUNATULRIJQAZ-ZDUSSCGKSA-N 1 2 242.282 2.213 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1csc(C)n1 ZINC000189419965 166342535 /nfs/dbraw/zinc/34/25/35/166342535.db2.gz KKEDGBJMHPDXET-UHFFFAOYSA-N 1 2 226.345 2.086 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1csc(C)n1 ZINC000189419965 166342537 /nfs/dbraw/zinc/34/25/37/166342537.db2.gz KKEDGBJMHPDXET-UHFFFAOYSA-N 1 2 226.345 2.086 20 30 BEEDLO CCc1c[nH+]ccc1NC(=O)CCCC#N ZINC000292077298 352301475 /nfs/dbraw/zinc/30/14/75/352301475.db2.gz PIJDXLGBCNQVKQ-UHFFFAOYSA-N 1 2 217.272 2.276 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@](C)(O)c1ccccc1 ZINC000292239396 352308921 /nfs/dbraw/zinc/30/89/21/352308921.db2.gz QEMWUQZLAJVBTN-OAHLLOKOSA-N 1 2 244.338 2.296 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@](C)(O)c1ccccc1 ZINC000292239396 352308923 /nfs/dbraw/zinc/30/89/23/352308923.db2.gz QEMWUQZLAJVBTN-OAHLLOKOSA-N 1 2 244.338 2.296 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)c1ccccc1 ZINC000292294364 352313084 /nfs/dbraw/zinc/31/30/84/352313084.db2.gz UMGGRAZVLRVGMT-CQSZACIVSA-N 1 2 230.311 2.122 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)c1ccccc1 ZINC000292294364 352313088 /nfs/dbraw/zinc/31/30/88/352313088.db2.gz UMGGRAZVLRVGMT-CQSZACIVSA-N 1 2 230.311 2.122 20 30 BEEDLO COC[C@@H]([NH2+]CCC#N)c1ccc(F)cc1 ZINC000411472790 191187053 /nfs/dbraw/zinc/18/70/53/191187053.db2.gz IGFYMLBTXNACTI-GFCCVEGCSA-N 1 2 222.263 2.016 20 30 BEEDLO CC(C)(C)c1nc(NCC2(CC#N)CC2)cc[nH+]1 ZINC000619527648 352369930 /nfs/dbraw/zinc/36/99/30/352369930.db2.gz BLGABECMTBOGCU-UHFFFAOYSA-N 1 2 244.342 2.302 20 30 BEEDLO C[C@@H](CCC#N)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000411633358 191200095 /nfs/dbraw/zinc/20/00/95/191200095.db2.gz IYKHHNIWLBSITE-LBPRGKRZSA-N 1 2 246.358 2.343 20 30 BEEDLO N#CC1(C[N@H+]2CCc3ccc(F)cc3C2)CC1 ZINC000334176698 352761833 /nfs/dbraw/zinc/76/18/33/352761833.db2.gz CEBFFTUATFMSEE-UHFFFAOYSA-N 1 2 230.286 2.488 20 30 BEEDLO N#CC1(C[N@@H+]2CCc3ccc(F)cc3C2)CC1 ZINC000334176698 352761837 /nfs/dbraw/zinc/76/18/37/352761837.db2.gz CEBFFTUATFMSEE-UHFFFAOYSA-N 1 2 230.286 2.488 20 30 BEEDLO C=C[C@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000334272551 352909880 /nfs/dbraw/zinc/90/98/80/352909880.db2.gz IWOURKDWKLSXFF-VIFPVBQESA-N 1 2 219.288 2.394 20 30 BEEDLO C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000176841510 188079447 /nfs/dbraw/zinc/07/94/47/188079447.db2.gz IZEPWKNZBNMKMK-AWEZNQCLSA-N 1 2 245.322 2.162 20 30 BEEDLO C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000176841510 188079448 /nfs/dbraw/zinc/07/94/48/188079448.db2.gz IZEPWKNZBNMKMK-AWEZNQCLSA-N 1 2 245.322 2.162 20 30 BEEDLO C#CC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000174460505 188079995 /nfs/dbraw/zinc/07/99/95/188079995.db2.gz PSQQVYPLXKJPEQ-OCCSQVGLSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000174460505 188079996 /nfs/dbraw/zinc/07/99/96/188079996.db2.gz PSQQVYPLXKJPEQ-OCCSQVGLSA-N 1 2 215.296 2.082 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000276036656 188093875 /nfs/dbraw/zinc/09/38/75/188093875.db2.gz VHIWULHGDUTTTC-JSGCOSHPSA-N 1 2 249.358 2.238 20 30 BEEDLO C=C1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC000264440468 188087113 /nfs/dbraw/zinc/08/71/13/188087113.db2.gz FSORUURTSNGJQO-SECBINFHSA-N 1 2 207.277 2.091 20 30 BEEDLO N#CCC[NH2+]Cc1ccc(Br)o1 ZINC000020199468 188175522 /nfs/dbraw/zinc/17/55/22/188175522.db2.gz DTGNSDOHYUUPGO-UHFFFAOYSA-N 1 2 229.077 2.045 20 30 BEEDLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(F)F ZINC000331289267 353242452 /nfs/dbraw/zinc/24/24/52/353242452.db2.gz AUJZFAAKPFQSER-LURJTMIESA-N 1 2 217.219 2.066 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000059639236 324015972 /nfs/dbraw/zinc/01/59/72/324015972.db2.gz SWJQTTJZPPWJAB-JTQLQIEISA-N 1 2 233.271 2.329 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000059639236 324015976 /nfs/dbraw/zinc/01/59/76/324015976.db2.gz SWJQTTJZPPWJAB-JTQLQIEISA-N 1 2 233.271 2.329 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000192219036 353536751 /nfs/dbraw/zinc/53/67/51/353536751.db2.gz PZVKHYSTSPONEN-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000192219036 353536752 /nfs/dbraw/zinc/53/67/52/353536752.db2.gz PZVKHYSTSPONEN-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000192222431 353538319 /nfs/dbraw/zinc/53/83/19/353538319.db2.gz NZKGQVADRJDSHZ-UHFFFAOYSA-N 1 2 249.264 2.496 20 30 BEEDLO C#CC[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000192222431 353538322 /nfs/dbraw/zinc/53/83/22/353538322.db2.gz NZKGQVADRJDSHZ-UHFFFAOYSA-N 1 2 249.264 2.496 20 30 BEEDLO Cc1ccnc([C@@H](C)[NH2+]C[C@@H](C)C#N)c1 ZINC000308829438 353551993 /nfs/dbraw/zinc/55/19/93/353551993.db2.gz FQWQONFAANLTBV-WDEREUQCSA-N 1 2 203.289 2.200 20 30 BEEDLO C=C(C)C[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000289691258 353637690 /nfs/dbraw/zinc/63/76/90/353637690.db2.gz XNERRHCGAAYABU-JTQLQIEISA-N 1 2 239.319 2.221 20 30 BEEDLO C=CC[N@@H+](Cc1cnn(C)n1)Cc1ccccc1 ZINC000290043716 353647505 /nfs/dbraw/zinc/64/75/05/353647505.db2.gz RCVZLHFLBZKZTF-UHFFFAOYSA-N 1 2 242.326 2.003 20 30 BEEDLO C=CC[N@H+](Cc1cnn(C)n1)Cc1ccccc1 ZINC000290043716 353647507 /nfs/dbraw/zinc/64/75/07/353647507.db2.gz RCVZLHFLBZKZTF-UHFFFAOYSA-N 1 2 242.326 2.003 20 30 BEEDLO CCc1nc(C[N@H+](C)CCCC#N)cs1 ZINC000063593626 353611121 /nfs/dbraw/zinc/61/11/21/353611121.db2.gz YFLNKANJVWUWKZ-UHFFFAOYSA-N 1 2 223.345 2.441 20 30 BEEDLO CCc1nc(C[N@@H+](C)CCCC#N)cs1 ZINC000063593626 353611125 /nfs/dbraw/zinc/61/11/25/353611125.db2.gz YFLNKANJVWUWKZ-UHFFFAOYSA-N 1 2 223.345 2.441 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000293086685 353732716 /nfs/dbraw/zinc/73/27/16/353732716.db2.gz KCJSKAHRDDHPCM-UHFFFAOYSA-N 1 2 247.323 2.253 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000293086685 353732719 /nfs/dbraw/zinc/73/27/19/353732719.db2.gz KCJSKAHRDDHPCM-UHFFFAOYSA-N 1 2 247.323 2.253 20 30 BEEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000294040649 353767109 /nfs/dbraw/zinc/76/71/09/353767109.db2.gz IPFMAXAZTLMCJP-IUCAKERBSA-N 1 2 211.696 2.231 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(C(C)C)[nH]1)C1CC1 ZINC000293318785 353740536 /nfs/dbraw/zinc/74/05/36/353740536.db2.gz VYYZDTIHNWSJCA-UHFFFAOYSA-N 1 2 220.320 2.079 20 30 BEEDLO C=CC[N@H+](Cc1nnc(C(C)C)[nH]1)C1CC1 ZINC000293318785 353740537 /nfs/dbraw/zinc/74/05/37/353740537.db2.gz VYYZDTIHNWSJCA-UHFFFAOYSA-N 1 2 220.320 2.079 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)NCc1[nH+]ccn1CC ZINC000295697128 353811943 /nfs/dbraw/zinc/81/19/43/353811943.db2.gz ITBAQJGNELMVEC-ZDUSSCGKSA-N 1 2 235.331 2.122 20 30 BEEDLO C=C[C@](C)(CC)C(=O)NCc1[nH+]ccn1CC ZINC000295697126 353812015 /nfs/dbraw/zinc/81/20/15/353812015.db2.gz ITBAQJGNELMVEC-CYBMUJFWSA-N 1 2 235.331 2.122 20 30 BEEDLO COc1cncc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000343720381 353958750 /nfs/dbraw/zinc/95/87/50/353958750.db2.gz VBUOHNOHHRNEIU-LLVKDONJSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cncc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000343720381 353958752 /nfs/dbraw/zinc/95/87/52/353958752.db2.gz VBUOHNOHHRNEIU-LLVKDONJSA-N 1 2 245.326 2.214 20 30 BEEDLO N#CCc1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000054764716 181048628 /nfs/dbraw/zinc/04/86/28/181048628.db2.gz URKYYPMHSAIUDB-UHFFFAOYSA-N 1 2 212.256 2.088 20 30 BEEDLO N#CCc1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000054764716 181048630 /nfs/dbraw/zinc/04/86/30/181048630.db2.gz URKYYPMHSAIUDB-UHFFFAOYSA-N 1 2 212.256 2.088 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](CC)Cc1cccs1 ZINC000301021180 363333809 /nfs/dbraw/zinc/33/38/09/363333809.db2.gz KIHQSARWGJCMFZ-LLVKDONJSA-N 1 2 239.340 2.298 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](CC)Cc1cccs1 ZINC000301021180 363333814 /nfs/dbraw/zinc/33/38/14/363333814.db2.gz KIHQSARWGJCMFZ-LLVKDONJSA-N 1 2 239.340 2.298 20 30 BEEDLO N#Cc1ccc(C[NH2+]Cc2nccs2)c(F)c1 ZINC000336648669 181109470 /nfs/dbraw/zinc/10/94/70/181109470.db2.gz QSWHTSSHLAELIA-UHFFFAOYSA-N 1 2 247.298 2.444 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)s1 ZINC000130696985 181103758 /nfs/dbraw/zinc/10/37/58/181103758.db2.gz NXUKFCADECINIR-ZDUSSCGKSA-N 1 2 248.351 2.231 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)s1 ZINC000130696985 181103759 /nfs/dbraw/zinc/10/37/59/181103759.db2.gz NXUKFCADECINIR-ZDUSSCGKSA-N 1 2 248.351 2.231 20 30 BEEDLO C=CCC(C)(C)c1noc(Cn2cc[nH+]c2)n1 ZINC000349722681 366219627 /nfs/dbraw/zinc/21/96/27/366219627.db2.gz GYAXTXXPDWHWFU-UHFFFAOYSA-N 1 2 232.287 2.168 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000334735230 354535979 /nfs/dbraw/zinc/53/59/79/354535979.db2.gz GPLJAVJBEZVVEY-SNVBAGLBSA-N 1 2 221.329 2.236 20 30 BEEDLO N#CCC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000334735230 354535982 /nfs/dbraw/zinc/53/59/82/354535982.db2.gz GPLJAVJBEZVVEY-SNVBAGLBSA-N 1 2 221.329 2.236 20 30 BEEDLO N#Cc1cccnc1N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374783462 181151699 /nfs/dbraw/zinc/15/16/99/181151699.db2.gz QVYAJZLPRVZJSR-LLVKDONJSA-N 1 2 239.282 2.018 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C(=O)OC ZINC000301047801 363380219 /nfs/dbraw/zinc/38/02/19/363380219.db2.gz PVRMYMZHILZWLZ-WOPDTQHZSA-N 1 2 225.332 2.130 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C(=O)OC ZINC000301052775 363392915 /nfs/dbraw/zinc/39/29/15/363392915.db2.gz WVHPGWLIGHDNRX-WOPDTQHZSA-N 1 2 225.332 2.130 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)OC ZINC000301051892 363396354 /nfs/dbraw/zinc/39/63/54/363396354.db2.gz VAPBKORMMBFNSW-WISYIIOYSA-N 1 2 225.332 2.128 20 30 BEEDLO N#Cc1ccnc(SCCCn2cc[nH+]c2)c1 ZINC000180435535 181158035 /nfs/dbraw/zinc/15/80/35/181158035.db2.gz QUIRXRSJRFRFHY-UHFFFAOYSA-N 1 2 244.323 2.332 20 30 BEEDLO C=CC[N@@H+](C)[C@H](C)c1nnnn1C1CCCCC1 ZINC000346559310 354968662 /nfs/dbraw/zinc/96/86/62/354968662.db2.gz FMRTVKUSYJTVCP-LLVKDONJSA-N 1 2 249.362 2.357 20 30 BEEDLO C=CC[N@H+](C)[C@H](C)c1nnnn1C1CCCCC1 ZINC000346559310 354968664 /nfs/dbraw/zinc/96/86/64/354968664.db2.gz FMRTVKUSYJTVCP-LLVKDONJSA-N 1 2 249.362 2.357 20 30 BEEDLO N#Cc1csc(CNc2cccc[nH+]2)n1 ZINC000336726634 181166860 /nfs/dbraw/zinc/16/68/60/181166860.db2.gz GUCUVLLMVJBGIX-UHFFFAOYSA-N 1 2 216.269 2.022 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1cncc(F)c1)C1CC1 ZINC000346968662 355175007 /nfs/dbraw/zinc/17/50/07/355175007.db2.gz LLYVNQVFESBJHO-JTQLQIEISA-N 1 2 233.290 2.345 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1cncc(F)c1)C1CC1 ZINC000346968662 355175009 /nfs/dbraw/zinc/17/50/09/355175009.db2.gz LLYVNQVFESBJHO-JTQLQIEISA-N 1 2 233.290 2.345 20 30 BEEDLO C=CCCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413263085 191367278 /nfs/dbraw/zinc/36/72/78/191367278.db2.gz IAPJFUPMUINMJD-UHFFFAOYSA-N 1 2 218.304 2.429 20 30 BEEDLO C=CCCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413263085 191367281 /nfs/dbraw/zinc/36/72/81/191367281.db2.gz IAPJFUPMUINMJD-UHFFFAOYSA-N 1 2 218.304 2.429 20 30 BEEDLO C=C(C)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000413316681 191371441 /nfs/dbraw/zinc/37/14/41/191371441.db2.gz PZGDFLVUTVYSNQ-UHFFFAOYSA-N 1 2 218.304 2.429 20 30 BEEDLO C=C(C)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000413316681 191371443 /nfs/dbraw/zinc/37/14/43/191371443.db2.gz PZGDFLVUTVYSNQ-UHFFFAOYSA-N 1 2 218.304 2.429 20 30 BEEDLO C=C(CC)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413328569 191374886 /nfs/dbraw/zinc/37/48/86/191374886.db2.gz WWKZBGQKKCAJTI-UHFFFAOYSA-N 1 2 218.304 2.429 20 30 BEEDLO C=C(CC)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413328569 191374889 /nfs/dbraw/zinc/37/48/89/191374889.db2.gz WWKZBGQKKCAJTI-UHFFFAOYSA-N 1 2 218.304 2.429 20 30 BEEDLO Cc1nc2[nH]ccc2c(NCC(C)(C)CC#N)[nH+]1 ZINC000413413882 191380998 /nfs/dbraw/zinc/38/09/98/191380998.db2.gz UJIISYGRYFLXSB-UHFFFAOYSA-N 1 2 243.314 2.040 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C#N)ccc1OC ZINC000583508500 355345705 /nfs/dbraw/zinc/34/57/05/355345705.db2.gz MEYXTKRVYTTXFJ-ZDUSSCGKSA-N 1 2 243.310 2.349 20 30 BEEDLO C[C@@H]1C[C@@H](Nc2cccc(C#N)n2)c2[nH+]ccn21 ZINC000582162859 355349514 /nfs/dbraw/zinc/34/95/14/355349514.db2.gz UJXFAKKVSUSNNU-MWLCHTKSSA-N 1 2 239.282 2.268 20 30 BEEDLO Cc1noc(C)c1CC[N@@H+](C)[C@H](C)CC#N ZINC000166408492 355402973 /nfs/dbraw/zinc/40/29/73/355402973.db2.gz MHWQKYSECGXAKA-SECBINFHSA-N 1 2 221.304 2.068 20 30 BEEDLO Cc1noc(C)c1CC[N@H+](C)[C@H](C)CC#N ZINC000166408492 355402976 /nfs/dbraw/zinc/40/29/76/355402976.db2.gz MHWQKYSECGXAKA-SECBINFHSA-N 1 2 221.304 2.068 20 30 BEEDLO C=C(C)C(C)(C)C(=O)NCc1[nH+]ccn1CC ZINC000424868488 191839178 /nfs/dbraw/zinc/83/91/78/191839178.db2.gz QIZAWQZERNXPSM-UHFFFAOYSA-N 1 2 235.331 2.122 20 30 BEEDLO C[N@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC000192063024 355952263 /nfs/dbraw/zinc/95/22/63/355952263.db2.gz IGAPGKMSLLZDCP-UHFFFAOYSA-N 1 2 217.247 2.043 20 30 BEEDLO C[N@@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC000192063024 355952266 /nfs/dbraw/zinc/95/22/66/355952266.db2.gz IGAPGKMSLLZDCP-UHFFFAOYSA-N 1 2 217.247 2.043 20 30 BEEDLO C[N@H+](CC#N)C[C@H]1CCc2ccccc2C1 ZINC000335906245 356105876 /nfs/dbraw/zinc/10/58/76/356105876.db2.gz DFBQWOYCIRUDDU-LBPRGKRZSA-N 1 2 214.312 2.247 20 30 BEEDLO C[N@@H+](CC#N)C[C@H]1CCc2ccccc2C1 ZINC000335906245 356105879 /nfs/dbraw/zinc/10/58/79/356105879.db2.gz DFBQWOYCIRUDDU-LBPRGKRZSA-N 1 2 214.312 2.247 20 30 BEEDLO CC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000639554365 356456227 /nfs/dbraw/zinc/45/62/27/356456227.db2.gz LSKCBYQRVRVAIE-UHFFFAOYSA-N 1 2 240.306 2.236 20 30 BEEDLO CC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000639554365 356456230 /nfs/dbraw/zinc/45/62/30/356456230.db2.gz LSKCBYQRVRVAIE-UHFFFAOYSA-N 1 2 240.306 2.236 20 30 BEEDLO N#Cc1ccc(Cn2cc[nH+]c2)c(OC(F)F)c1 ZINC000346621074 356491651 /nfs/dbraw/zinc/49/16/51/356491651.db2.gz PETXLNSFKQUSLY-UHFFFAOYSA-N 1 2 249.220 2.404 20 30 BEEDLO Cc1cc(N[C@H]2CCOC(C)(C)C2)c(C#N)c[nH+]1 ZINC000399378042 356477247 /nfs/dbraw/zinc/47/72/47/356477247.db2.gz MTXMWZKZZDKZDQ-LBPRGKRZSA-N 1 2 245.326 2.053 20 30 BEEDLO C=CCCN(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420845956 192266723 /nfs/dbraw/zinc/26/67/23/192266723.db2.gz ISYDDGHVMGDYEK-UHFFFAOYSA-N 1 2 247.342 2.416 20 30 BEEDLO CC[C@@H]1C[NH+](CC2(C#N)CC2)C[C@@H](CC)O1 ZINC000420959252 192281250 /nfs/dbraw/zinc/28/12/50/192281250.db2.gz QDFJEODKLFESMX-VXGBXAGGSA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@@H]1[N@H+](CC2(C#N)CCC2)CCOC1(C)C ZINC000336186615 134121806 /nfs/dbraw/zinc/12/18/06/134121806.db2.gz MJEBMNGEENLBMW-NSHDSACASA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@@H]1[N@@H+](CC2(C#N)CCC2)CCOC1(C)C ZINC000336186615 134121807 /nfs/dbraw/zinc/12/18/07/134121807.db2.gz MJEBMNGEENLBMW-NSHDSACASA-N 1 2 222.332 2.180 20 30 BEEDLO N#CC1(C[N@H+]2CCCC[C@H]2C(N)=O)CCC1 ZINC000336196449 134126215 /nfs/dbraw/zinc/12/62/15/134126215.db2.gz MEIWCBWFXXYDDA-JTQLQIEISA-N 1 2 221.304 2.070 20 30 BEEDLO N#CC1(C[N@@H+]2CCCC[C@H]2C(N)=O)CCC1 ZINC000336196449 134126216 /nfs/dbraw/zinc/12/62/16/134126216.db2.gz MEIWCBWFXXYDDA-JTQLQIEISA-N 1 2 221.304 2.070 20 30 BEEDLO N#CC1(C[N@@H+]2CCOCC23CCCC3)CCC1 ZINC000336199028 134127958 /nfs/dbraw/zinc/12/79/58/134127958.db2.gz WEDMMHUTYGRIHP-UHFFFAOYSA-N 1 2 234.343 2.325 20 30 BEEDLO N#CC1(C[N@H+]2CCOCC23CCCC3)CCC1 ZINC000336199028 134127959 /nfs/dbraw/zinc/12/79/59/134127959.db2.gz WEDMMHUTYGRIHP-UHFFFAOYSA-N 1 2 234.343 2.325 20 30 BEEDLO CC1(C)CCCN1CC[NH2+]Cc1ccc(C#N)o1 ZINC000449780235 202031773 /nfs/dbraw/zinc/03/17/73/202031773.db2.gz FVVWZFWOQQSKPP-UHFFFAOYSA-N 1 2 247.342 2.115 20 30 BEEDLO C=CCC1(C(=O)NCc2[nH+]ccn2C)CCCC1 ZINC000449840804 202043607 /nfs/dbraw/zinc/04/36/07/202043607.db2.gz RYFLJPRCSRQBRQ-UHFFFAOYSA-N 1 2 247.342 2.173 20 30 BEEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421026536 192308330 /nfs/dbraw/zinc/30/83/30/192308330.db2.gz FMPFVRFDVYBOEO-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421026536 192308333 /nfs/dbraw/zinc/30/83/33/192308333.db2.gz FMPFVRFDVYBOEO-AWEZNQCLSA-N 1 2 246.285 2.062 20 30 BEEDLO C=C(C)C[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451587488 538459186 /nfs/dbraw/zinc/45/91/86/538459186.db2.gz FTDWGACBUCTIKJ-NSHDSACASA-N 1 2 213.321 2.128 20 30 BEEDLO Fc1ccc(C#CC[N@H+]2CC[C@H](F)C2)cc1 ZINC000336262826 134141345 /nfs/dbraw/zinc/14/13/45/134141345.db2.gz WLCXSTNDQRIAPS-ZDUSSCGKSA-N 1 2 221.250 2.221 20 30 BEEDLO Fc1ccc(C#CC[N@@H+]2CC[C@H](F)C2)cc1 ZINC000336262826 134141346 /nfs/dbraw/zinc/14/13/46/134141346.db2.gz WLCXSTNDQRIAPS-ZDUSSCGKSA-N 1 2 221.250 2.221 20 30 BEEDLO N#CC1(F)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000352451366 134145605 /nfs/dbraw/zinc/14/56/05/134145605.db2.gz WHSLIYBFVCBFII-UHFFFAOYSA-N 1 2 242.297 2.366 20 30 BEEDLO N#CC1(F)CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000352449810 134145648 /nfs/dbraw/zinc/14/56/48/134145648.db2.gz OWOCAXPPHBJITB-UHFFFAOYSA-N 1 2 237.253 2.048 20 30 BEEDLO N#C[C@@H]1[N@H+](CC2CC2)CCC[C@]12CCCCO2 ZINC000336551077 134149535 /nfs/dbraw/zinc/14/95/35/134149535.db2.gz IGUUJQPHJUYLCG-UONOGXRCSA-N 1 2 234.343 2.324 20 30 BEEDLO N#C[C@@H]1[N@@H+](CC2CC2)CCC[C@]12CCCCO2 ZINC000336551077 134149536 /nfs/dbraw/zinc/14/95/36/134149536.db2.gz IGUUJQPHJUYLCG-UONOGXRCSA-N 1 2 234.343 2.324 20 30 BEEDLO C=C[C@H](C)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450378706 202145918 /nfs/dbraw/zinc/14/59/18/202145918.db2.gz LRFZQIQBYJZDMO-JTQLQIEISA-N 1 2 242.326 2.104 20 30 BEEDLO Cc1ccc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000354034821 134165984 /nfs/dbraw/zinc/16/59/84/134165984.db2.gz CVYQTOFOEVETQP-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1ccn(C)c1)C1CC1 ZINC000354035419 134165818 /nfs/dbraw/zinc/16/58/18/134165818.db2.gz YGQZKULCMQRSSG-LLVKDONJSA-N 1 2 217.316 2.149 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1ccn(C)c1)C1CC1 ZINC000354035419 134165819 /nfs/dbraw/zinc/16/58/19/134165819.db2.gz YGQZKULCMQRSSG-LLVKDONJSA-N 1 2 217.316 2.149 20 30 BEEDLO Cc1ccc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000354034821 134165985 /nfs/dbraw/zinc/16/59/85/134165985.db2.gz CVYQTOFOEVETQP-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO CCC#C[C@@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000380147004 538673782 /nfs/dbraw/zinc/67/37/82/538673782.db2.gz WXVWJIVDKGWSHY-RKDXNWHRSA-N 1 2 223.345 2.299 20 30 BEEDLO C=CC[N@H+](Cc1nnc(-c2ccco2)o1)C1CC1 ZINC000357554961 134184085 /nfs/dbraw/zinc/18/40/85/134184085.db2.gz RIKRXJYYDYJNHP-UHFFFAOYSA-N 1 2 245.282 2.480 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(-c2ccco2)o1)C1CC1 ZINC000357554961 134184086 /nfs/dbraw/zinc/18/40/86/134184086.db2.gz RIKRXJYYDYJNHP-UHFFFAOYSA-N 1 2 245.282 2.480 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(C)n1C1CC1)C1CC1 ZINC000357554892 134184129 /nfs/dbraw/zinc/18/41/29/134184129.db2.gz RAVHJMRNVYYQMM-UHFFFAOYSA-N 1 2 232.331 2.072 20 30 BEEDLO C=CC[N@H+](Cc1nnc(C)n1C1CC1)C1CC1 ZINC000357554892 134184130 /nfs/dbraw/zinc/18/41/30/134184130.db2.gz RAVHJMRNVYYQMM-UHFFFAOYSA-N 1 2 232.331 2.072 20 30 BEEDLO C=CC[C@@H]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000626467915 357004309 /nfs/dbraw/zinc/00/43/09/357004309.db2.gz LDQZPJJVDVERIF-GFCCVEGCSA-N 1 2 245.326 2.242 20 30 BEEDLO C[C@H]1CCCC[C@H]1OCC[N@H+](C)CCC#N ZINC000358777328 134192448 /nfs/dbraw/zinc/19/24/48/134192448.db2.gz FTXSDAJMYFGSBO-QWHCGFSZSA-N 1 2 224.348 2.427 20 30 BEEDLO C[C@H]1CCCC[C@H]1OCC[N@@H+](C)CCC#N ZINC000358777328 134192449 /nfs/dbraw/zinc/19/24/49/134192449.db2.gz FTXSDAJMYFGSBO-QWHCGFSZSA-N 1 2 224.348 2.427 20 30 BEEDLO CC#CC[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC000360150407 134198868 /nfs/dbraw/zinc/19/88/68/134198868.db2.gz RJOOEIYGVGAXHN-UHFFFAOYSA-N 1 2 237.343 2.111 20 30 BEEDLO CCC[N@H+](CC#N)C[C@@H](O)CCC(C)C ZINC000361268052 134204343 /nfs/dbraw/zinc/20/43/43/134204343.db2.gz TWCLAHCQNUUUPQ-LBPRGKRZSA-N 1 2 212.337 2.019 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@@H](O)CCC(C)C ZINC000361268052 134204344 /nfs/dbraw/zinc/20/43/44/134204344.db2.gz TWCLAHCQNUUUPQ-LBPRGKRZSA-N 1 2 212.337 2.019 20 30 BEEDLO CCC[N@H+](CC#N)C[C@H](O)CC1CCCC1 ZINC000188632227 357569133 /nfs/dbraw/zinc/56/91/33/357569133.db2.gz OUBDPBWUKCEARZ-CYBMUJFWSA-N 1 2 224.348 2.163 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@H](O)CC1CCCC1 ZINC000188632227 357569139 /nfs/dbraw/zinc/56/91/39/357569139.db2.gz OUBDPBWUKCEARZ-CYBMUJFWSA-N 1 2 224.348 2.163 20 30 BEEDLO C=CCN(c1cc(NCC2CC2)[nH+]cn1)C1CC1 ZINC000362635707 134213592 /nfs/dbraw/zinc/21/35/92/134213592.db2.gz KTZRMGBTBQDUBP-UHFFFAOYSA-N 1 2 244.342 2.453 20 30 BEEDLO C=CCN(c1cc(NCC2CC2)nc[nH+]1)C1CC1 ZINC000362635707 134213593 /nfs/dbraw/zinc/21/35/93/134213593.db2.gz KTZRMGBTBQDUBP-UHFFFAOYSA-N 1 2 244.342 2.453 20 30 BEEDLO CC[C@@H]1COCC[N@@H+]1CC#Cc1ccccc1 ZINC000192028528 357814078 /nfs/dbraw/zinc/81/40/78/357814078.db2.gz BYCPSPWKSDAEEN-OAHLLOKOSA-N 1 2 229.323 2.149 20 30 BEEDLO CC[C@@H]1COCC[N@H+]1CC#Cc1ccccc1 ZINC000192028528 357814080 /nfs/dbraw/zinc/81/40/80/357814080.db2.gz BYCPSPWKSDAEEN-OAHLLOKOSA-N 1 2 229.323 2.149 20 30 BEEDLO CCN(CCC#N)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119359639 134226350 /nfs/dbraw/zinc/22/63/50/134226350.db2.gz BQRBXPBDFUELKE-UHFFFAOYSA-N 1 2 232.287 2.158 20 30 BEEDLO CC[N@@H+](Cc1c(C)n[nH]c1C)C[C@@H](C)C#N ZINC000120529728 134229992 /nfs/dbraw/zinc/22/99/92/134229992.db2.gz WIZTXGZJSNEZJN-VIFPVBQESA-N 1 2 220.320 2.008 20 30 BEEDLO CC[N@H+](Cc1c(C)n[nH]c1C)C[C@@H](C)C#N ZINC000120529728 134229993 /nfs/dbraw/zinc/22/99/93/134229993.db2.gz WIZTXGZJSNEZJN-VIFPVBQESA-N 1 2 220.320 2.008 20 30 BEEDLO C=C(C)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121168540 134232013 /nfs/dbraw/zinc/23/20/13/134232013.db2.gz WAZSUWCKNYJVNB-GFCCVEGCSA-N 1 2 207.273 2.229 20 30 BEEDLO C=C(C)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121168540 134232014 /nfs/dbraw/zinc/23/20/14/134232014.db2.gz WAZSUWCKNYJVNB-GFCCVEGCSA-N 1 2 207.273 2.229 20 30 BEEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccon1 ZINC000349242253 357941797 /nfs/dbraw/zinc/94/17/97/357941797.db2.gz OQAFPQSGZQZTRO-JTQLQIEISA-N 1 2 227.267 2.397 20 30 BEEDLO Cc1n[nH]cc1C[N@H+](C)CC#Cc1ccccc1 ZINC000639970478 358023082 /nfs/dbraw/zinc/02/30/82/358023082.db2.gz GPPFEEXWWWBTAZ-UHFFFAOYSA-N 1 2 239.322 2.202 20 30 BEEDLO Cc1n[nH]cc1C[N@@H+](C)CC#Cc1ccccc1 ZINC000639970478 358023085 /nfs/dbraw/zinc/02/30/85/358023085.db2.gz GPPFEEXWWWBTAZ-UHFFFAOYSA-N 1 2 239.322 2.202 20 30 BEEDLO Cc1[nH+]cccc1Cc1noc(C(C)(C)C#N)n1 ZINC000351239639 366457127 /nfs/dbraw/zinc/45/71/27/366457127.db2.gz VSHRGYNQIIQAES-UHFFFAOYSA-N 1 2 242.282 2.165 20 30 BEEDLO C=CCC[C@H](O)C[N@H+](CCC)CC(F)F ZINC000124861829 358528074 /nfs/dbraw/zinc/52/80/74/358528074.db2.gz BJIKGUSMNDXMOU-JTQLQIEISA-N 1 2 221.291 2.291 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+](CCC)CC(F)F ZINC000124861829 358528077 /nfs/dbraw/zinc/52/80/77/358528077.db2.gz BJIKGUSMNDXMOU-JTQLQIEISA-N 1 2 221.291 2.291 20 30 BEEDLO C=CCCc1nc(Cc2ccc[nH+]c2C)no1 ZINC000351242773 366458712 /nfs/dbraw/zinc/45/87/12/366458712.db2.gz SVEUIMBVIFPTLI-UHFFFAOYSA-N 1 2 229.283 2.482 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000135389846 358835619 /nfs/dbraw/zinc/83/56/19/358835619.db2.gz WMWFPHLJJXFIPG-SNVBAGLBSA-N 1 2 221.291 2.289 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+](CC(F)F)C(C)C ZINC000135389846 358835622 /nfs/dbraw/zinc/83/56/22/358835622.db2.gz WMWFPHLJJXFIPG-SNVBAGLBSA-N 1 2 221.291 2.289 20 30 BEEDLO C=CCCc1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000351443396 366527847 /nfs/dbraw/zinc/52/78/47/366527847.db2.gz FBECALOYOMNVHH-JTQLQIEISA-N 1 2 232.287 2.188 20 30 BEEDLO CC#CC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000247461305 359221851 /nfs/dbraw/zinc/22/18/51/359221851.db2.gz IJYUQPRKLUJSNO-ZFWWWQNUSA-N 1 2 229.323 2.472 20 30 BEEDLO CC#CC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000247461305 359221855 /nfs/dbraw/zinc/22/18/55/359221855.db2.gz IJYUQPRKLUJSNO-ZFWWWQNUSA-N 1 2 229.323 2.472 20 30 BEEDLO Cc1nc(NCc2cc(C#N)ccc2F)cc[nH+]1 ZINC000078474713 359327099 /nfs/dbraw/zinc/32/70/99/359327099.db2.gz FDYYWPGVEYSAER-UHFFFAOYSA-N 1 2 242.257 2.408 20 30 BEEDLO C[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C[C@H]1F ZINC000611501382 359383052 /nfs/dbraw/zinc/38/30/52/359383052.db2.gz BGBVKFMLEHLSQU-GRYCIOLGSA-N 1 2 223.295 2.110 20 30 BEEDLO C[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1F ZINC000611501382 359383057 /nfs/dbraw/zinc/38/30/57/359383057.db2.gz BGBVKFMLEHLSQU-GRYCIOLGSA-N 1 2 223.295 2.110 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Cl)cn1 ZINC000611500775 359383093 /nfs/dbraw/zinc/38/30/93/359383093.db2.gz GEAZCYSETFOONK-VIFPVBQESA-N 1 2 223.707 2.326 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000611500775 359383098 /nfs/dbraw/zinc/38/30/98/359383098.db2.gz GEAZCYSETFOONK-VIFPVBQESA-N 1 2 223.707 2.326 20 30 BEEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccccn2)C1 ZINC000612161283 359711108 /nfs/dbraw/zinc/71/11/08/359711108.db2.gz BYSQMBQSRDIXHX-CYBMUJFWSA-N 1 2 215.300 2.207 20 30 BEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccccn2)C1 ZINC000612161283 359711111 /nfs/dbraw/zinc/71/11/11/359711111.db2.gz BYSQMBQSRDIXHX-CYBMUJFWSA-N 1 2 215.300 2.207 20 30 BEEDLO C[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@@H](C)[C@H](C)O1 ZINC000450823777 202276620 /nfs/dbraw/zinc/27/66/20/202276620.db2.gz DDKRDACWKIJFMG-WOPDTQHZSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@@H]1C[N@@H+](CC2(C#N)CCC2)[C@@H](C)[C@H](C)O1 ZINC000450823777 202276624 /nfs/dbraw/zinc/27/66/24/202276624.db2.gz DDKRDACWKIJFMG-WOPDTQHZSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@]1(C#N)CCC[N@H+](Cc2cccnc2)C1 ZINC000612166157 359720901 /nfs/dbraw/zinc/72/09/01/359720901.db2.gz PTQDDBBRCLDMKO-CYBMUJFWSA-N 1 2 215.300 2.207 20 30 BEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cccnc2)C1 ZINC000612166157 359720907 /nfs/dbraw/zinc/72/09/07/359720907.db2.gz PTQDDBBRCLDMKO-CYBMUJFWSA-N 1 2 215.300 2.207 20 30 BEEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccco2)C1 ZINC000612406721 359833796 /nfs/dbraw/zinc/83/37/96/359833796.db2.gz ROJZMACCRGVULN-LBPRGKRZSA-N 1 2 204.273 2.405 20 30 BEEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccco2)C1 ZINC000612406721 359833799 /nfs/dbraw/zinc/83/37/99/359833799.db2.gz ROJZMACCRGVULN-LBPRGKRZSA-N 1 2 204.273 2.405 20 30 BEEDLO C[C@@]1(F)CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000451114290 202350695 /nfs/dbraw/zinc/35/06/95/202350695.db2.gz CZJWHZIGVFZJDF-VXGBXAGGSA-N 1 2 223.295 2.254 20 30 BEEDLO C[C@@]1(F)CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000451114290 202350700 /nfs/dbraw/zinc/35/07/00/202350700.db2.gz CZJWHZIGVFZJDF-VXGBXAGGSA-N 1 2 223.295 2.254 20 30 BEEDLO C[C@]1(F)CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000451114289 202351509 /nfs/dbraw/zinc/35/15/09/202351509.db2.gz CZJWHZIGVFZJDF-RYUDHWBXSA-N 1 2 223.295 2.254 20 30 BEEDLO C[C@]1(F)CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000451114289 202351511 /nfs/dbraw/zinc/35/15/11/202351511.db2.gz CZJWHZIGVFZJDF-RYUDHWBXSA-N 1 2 223.295 2.254 20 30 BEEDLO N#CCC[C@@H](C#N)C[NH+]1CC(CC(F)(F)F)C1 ZINC000612681119 359988584 /nfs/dbraw/zinc/98/85/84/359988584.db2.gz VBTIGJRLSWEQJZ-VIFPVBQESA-N 1 2 245.248 2.314 20 30 BEEDLO N#CCC[C@H](C#N)C[NH+]1CC(CC(F)(F)F)C1 ZINC000612681118 359988706 /nfs/dbraw/zinc/98/87/06/359988706.db2.gz VBTIGJRLSWEQJZ-SECBINFHSA-N 1 2 245.248 2.314 20 30 BEEDLO C=CCNc1nc(C)[nH+]c(C)c1Br ZINC000306491908 360210071 /nfs/dbraw/zinc/21/00/71/360210071.db2.gz PBKJWNMEJZZNIW-UHFFFAOYSA-N 1 2 242.120 2.454 20 30 BEEDLO Cc1ccn2c(CN(C)[C@H](C)CC#N)c[nH+]c2c1 ZINC000093090683 360218154 /nfs/dbraw/zinc/21/81/54/360218154.db2.gz XXRFOUDNRJQBRT-GFCCVEGCSA-N 1 2 242.326 2.377 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)CC1CCCC1 ZINC000428872888 201047127 /nfs/dbraw/zinc/04/71/27/201047127.db2.gz SXUDFOQMIMLKGO-CQSZACIVSA-N 1 2 236.359 2.329 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H](O)CC1CCCC1 ZINC000428872888 201047130 /nfs/dbraw/zinc/04/71/30/201047130.db2.gz SXUDFOQMIMLKGO-CQSZACIVSA-N 1 2 236.359 2.329 20 30 BEEDLO N#CCC[N@H+](CC[C@@H]1CCOC1)Cc1ccco1 ZINC000437591563 201359006 /nfs/dbraw/zinc/35/90/06/201359006.db2.gz PCNUPFGDWXSIBU-CYBMUJFWSA-N 1 2 248.326 2.422 20 30 BEEDLO N#CCC[N@@H+](CC[C@@H]1CCOC1)Cc1ccco1 ZINC000437591563 201359010 /nfs/dbraw/zinc/35/90/10/201359010.db2.gz PCNUPFGDWXSIBU-CYBMUJFWSA-N 1 2 248.326 2.422 20 30 BEEDLO N#CCC[N@H+](CC[C@H]1CCOC1)Cc1ccco1 ZINC000437591570 201360131 /nfs/dbraw/zinc/36/01/31/201360131.db2.gz PCNUPFGDWXSIBU-ZDUSSCGKSA-N 1 2 248.326 2.422 20 30 BEEDLO N#CCC[N@@H+](CC[C@H]1CCOC1)Cc1ccco1 ZINC000437591570 201360134 /nfs/dbraw/zinc/36/01/34/201360134.db2.gz PCNUPFGDWXSIBU-ZDUSSCGKSA-N 1 2 248.326 2.422 20 30 BEEDLO CC#CC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000135264371 364433691 /nfs/dbraw/zinc/43/36/91/364433691.db2.gz AOVLRPFBSMTPRA-SECBINFHSA-N 1 2 221.304 2.041 20 30 BEEDLO CCc1nc(C[NH2+][C@@H](CC)CC#N)cs1 ZINC000135040601 364423460 /nfs/dbraw/zinc/42/34/60/364423460.db2.gz XCFCMXAFXAZELP-VIFPVBQESA-N 1 2 223.345 2.487 20 30 BEEDLO Cc1oncc1C[N@H+](CCC#N)CC1CC1 ZINC000181730079 366842571 /nfs/dbraw/zinc/84/25/71/366842571.db2.gz BREGSSFFBLRWFE-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1oncc1C[N@@H+](CCC#N)CC1CC1 ZINC000181730079 366842578 /nfs/dbraw/zinc/84/25/78/366842578.db2.gz BREGSSFFBLRWFE-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO C=C[C@@H](CO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000291197893 364771567 /nfs/dbraw/zinc/77/15/67/364771567.db2.gz UBUSLAMZMAUDKL-QMMMGPOBSA-N 1 2 232.205 2.059 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573695353 364895309 /nfs/dbraw/zinc/89/53/09/364895309.db2.gz GGUHDIUJUNVYPC-WCQYABFASA-N 1 2 247.342 2.155 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573695353 364895313 /nfs/dbraw/zinc/89/53/13/364895313.db2.gz GGUHDIUJUNVYPC-WCQYABFASA-N 1 2 247.342 2.155 20 30 BEEDLO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C#N)C1CCCCC1 ZINC000191711148 541422945 /nfs/dbraw/zinc/42/29/45/541422945.db2.gz DBHCKMIOKFJZKD-GVXVVHGQSA-N 1 2 224.348 2.472 20 30 BEEDLO CCc1noc(C)c1C(=O)NCc1[nH]c[nH+]c1C ZINC000331131642 365153799 /nfs/dbraw/zinc/15/37/99/365153799.db2.gz BJNZVEPRUMEVCA-UHFFFAOYSA-N 1 2 248.286 2.082 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC000192075490 365273250 /nfs/dbraw/zinc/27/32/50/365273250.db2.gz TZAPCWQYESXIKX-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC000192075490 365273255 /nfs/dbraw/zinc/27/32/55/365273255.db2.gz TZAPCWQYESXIKX-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1CCN(C(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000336138168 365310842 /nfs/dbraw/zinc/31/08/42/365310842.db2.gz DXWOYRAGHZUKQX-NWDGAFQWSA-N 1 2 232.331 2.068 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2c(n1)CCC2 ZINC000575967423 365427371 /nfs/dbraw/zinc/42/73/71/365427371.db2.gz UDOSKGGBUMOHDV-LLVKDONJSA-N 1 2 229.327 2.162 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000575967423 365427378 /nfs/dbraw/zinc/42/73/78/365427378.db2.gz UDOSKGGBUMOHDV-LLVKDONJSA-N 1 2 229.327 2.162 20 30 BEEDLO N#Cc1ccc(C[NH2+]CC2(C#N)CC2)c(F)c1 ZINC000576178563 365512077 /nfs/dbraw/zinc/51/20/77/365512077.db2.gz KCQHJGUTJCTXCP-UHFFFAOYSA-N 1 2 229.258 2.091 20 30 BEEDLO Cc1ccc2[nH+]c(CN[C@@H](C)CC#N)cn2c1 ZINC000068612435 370820496 /nfs/dbraw/zinc/82/04/96/370820496.db2.gz MCOVRFXOAALURI-NSHDSACASA-N 1 2 228.299 2.035 20 30 BEEDLO Cc1ccc2nc(C[NH2+][C@@H](C)CC#N)cn2c1 ZINC000068612435 370820498 /nfs/dbraw/zinc/82/04/98/370820498.db2.gz MCOVRFXOAALURI-NSHDSACASA-N 1 2 228.299 2.035 20 30 BEEDLO COc1c(C)c[nH+]c(CN[C@H](C)CC#N)c1C ZINC000068614731 370820812 /nfs/dbraw/zinc/82/08/12/370820812.db2.gz IXRZDDUSENPIFX-SNVBAGLBSA-N 1 2 233.315 2.099 20 30 BEEDLO COc1c(C)cnc(C[NH2+][C@H](C)CC#N)c1C ZINC000068614731 370820817 /nfs/dbraw/zinc/82/08/17/370820817.db2.gz IXRZDDUSENPIFX-SNVBAGLBSA-N 1 2 233.315 2.099 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(O)cc1 ZINC000068611740 370821077 /nfs/dbraw/zinc/82/10/77/370821077.db2.gz LTPVOGDHIKUCDP-JTQLQIEISA-N 1 2 204.273 2.126 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(O)cc1 ZINC000068611740 370821082 /nfs/dbraw/zinc/82/10/82/370821082.db2.gz LTPVOGDHIKUCDP-JTQLQIEISA-N 1 2 204.273 2.126 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cn2c(cccc2C)n1 ZINC000581437620 367471226 /nfs/dbraw/zinc/47/12/26/367471226.db2.gz RDEPYMBQBKGBSW-LBPRGKRZSA-N 1 2 242.326 2.425 20 30 BEEDLO CC1(C#N)C[NH+](CCc2ccccc2)C1 ZINC000619569387 368103916 /nfs/dbraw/zinc/10/39/16/368103916.db2.gz NWTKLKZRNFZGPZ-UHFFFAOYSA-N 1 2 200.285 2.075 20 30 BEEDLO C=CCC1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC1 ZINC000619111156 369286795 /nfs/dbraw/zinc/28/67/95/369286795.db2.gz QENPEQMOHRJSIN-UHFFFAOYSA-N 1 2 247.342 2.266 20 30 BEEDLO C=CCC1(NC(=O)Cc2[nH+]c[nH]c2C)CCCC1 ZINC000619111156 369286802 /nfs/dbraw/zinc/28/68/02/369286802.db2.gz QENPEQMOHRJSIN-UHFFFAOYSA-N 1 2 247.342 2.266 20 30 BEEDLO CCC[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459321710 203255210 /nfs/dbraw/zinc/25/52/10/203255210.db2.gz HCPVMSLGTFCLKI-UHFFFAOYSA-N 1 2 233.271 2.308 20 30 BEEDLO CCC[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459321710 203255213 /nfs/dbraw/zinc/25/52/13/203255213.db2.gz HCPVMSLGTFCLKI-UHFFFAOYSA-N 1 2 233.271 2.308 20 30 BEEDLO C=CCOc1ccccc1C[NH+]1CC(OC)C1 ZINC000459574858 203305234 /nfs/dbraw/zinc/30/52/34/203305234.db2.gz DEKJBULLXHRKLZ-UHFFFAOYSA-N 1 2 233.311 2.082 20 30 BEEDLO C[C@H]1C[N@H+](CC#N)CCc2ccccc21 ZINC000404726323 369434170 /nfs/dbraw/zinc/43/41/70/369434170.db2.gz YUTVFQZWRSMQRO-NSHDSACASA-N 1 2 200.285 2.172 20 30 BEEDLO C[C@H]1C[N@@H+](CC#N)CCc2ccccc21 ZINC000404726323 369434172 /nfs/dbraw/zinc/43/41/72/369434172.db2.gz YUTVFQZWRSMQRO-NSHDSACASA-N 1 2 200.285 2.172 20 30 BEEDLO CCC#C[C@@H](C)[N@H+](C)CC(=O)OC(C)(C)C ZINC000619532189 369464370 /nfs/dbraw/zinc/46/43/70/369464370.db2.gz KRNNQJJQMVHRMP-LLVKDONJSA-N 1 2 225.332 2.062 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000619532189 369464376 /nfs/dbraw/zinc/46/43/76/369464376.db2.gz KRNNQJJQMVHRMP-LLVKDONJSA-N 1 2 225.332 2.062 20 30 BEEDLO CCC#C[C@H](C)[N@H+](C)CC(=O)OC(C)(C)C ZINC000619532190 369464606 /nfs/dbraw/zinc/46/46/06/369464606.db2.gz KRNNQJJQMVHRMP-NSHDSACASA-N 1 2 225.332 2.062 20 30 BEEDLO CCC#C[C@H](C)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000619532190 369464608 /nfs/dbraw/zinc/46/46/08/369464608.db2.gz KRNNQJJQMVHRMP-NSHDSACASA-N 1 2 225.332 2.062 20 30 BEEDLO Cc1nc(C[N@@H+]2CCC[C@H](CC#N)C2)oc1C ZINC000259906615 370954838 /nfs/dbraw/zinc/95/48/38/370954838.db2.gz GEFMMLCGYKLICT-GFCCVEGCSA-N 1 2 233.315 2.417 20 30 BEEDLO Cc1nc(C[N@H+]2CCC[C@H](CC#N)C2)oc1C ZINC000259906615 370954839 /nfs/dbraw/zinc/95/48/39/370954839.db2.gz GEFMMLCGYKLICT-GFCCVEGCSA-N 1 2 233.315 2.417 20 30 BEEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccn(C)n1 ZINC000459738532 203348823 /nfs/dbraw/zinc/34/88/23/203348823.db2.gz CZIQBNHANHTUQM-NSHDSACASA-N 1 2 240.310 2.143 20 30 BEEDLO C=C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)OC ZINC000619704607 369536903 /nfs/dbraw/zinc/53/69/03/369536903.db2.gz VEZHGPOHEBASCK-NXEZZACHSA-N 1 2 247.285 2.129 20 30 BEEDLO Cc1c[nH]c(CN2Cc3cccc(C#N)c3C2)[nH+]1 ZINC000600174590 369512397 /nfs/dbraw/zinc/51/23/97/369512397.db2.gz DAFPKADRCQFMPC-UHFFFAOYSA-N 1 2 238.294 2.106 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000619722526 369554676 /nfs/dbraw/zinc/55/46/76/369554676.db2.gz GVXFLAUKYRDABB-AWEZNQCLSA-N 1 2 247.338 2.463 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000619722526 369554680 /nfs/dbraw/zinc/55/46/80/369554680.db2.gz GVXFLAUKYRDABB-AWEZNQCLSA-N 1 2 247.338 2.463 20 30 BEEDLO CC[C@@]1(O)CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000601232682 369612315 /nfs/dbraw/zinc/61/23/15/369612315.db2.gz FWAQFUADKMCEOZ-CQSZACIVSA-N 1 2 245.326 2.003 20 30 BEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000620602916 369950326 /nfs/dbraw/zinc/95/03/26/369950326.db2.gz FWSNOXIBVSTEQD-NSHDSACASA-N 1 2 247.342 2.366 20 30 BEEDLO Cc1nc(C#N)n(Cc2c[nH+]ccc2C)c1C ZINC000603427916 369963158 /nfs/dbraw/zinc/96/31/58/369963158.db2.gz ZDVTUQIFCHGVFF-UHFFFAOYSA-N 1 2 226.283 2.123 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1ccccc1C ZINC000070142975 371009559 /nfs/dbraw/zinc/00/95/59/371009559.db2.gz MKYOVEOSRMWWSA-UHFFFAOYSA-N 1 2 232.327 2.357 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1ccccc1C ZINC000070142975 371009562 /nfs/dbraw/zinc/00/95/62/371009562.db2.gz MKYOVEOSRMWWSA-UHFFFAOYSA-N 1 2 232.327 2.357 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1cccc(F)c1 ZINC000070144685 371009681 /nfs/dbraw/zinc/00/96/81/371009681.db2.gz FMLMIPCCNQVOOH-UHFFFAOYSA-N 1 2 236.290 2.188 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1cccc(F)c1 ZINC000070144685 371009683 /nfs/dbraw/zinc/00/96/83/371009683.db2.gz FMLMIPCCNQVOOH-UHFFFAOYSA-N 1 2 236.290 2.188 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1ccc(C)s1 ZINC000093099981 371137591 /nfs/dbraw/zinc/13/75/91/371137591.db2.gz CQCPYDCHZUROMC-UHFFFAOYSA-N 1 2 238.356 2.419 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1ccc(C)s1 ZINC000093099981 371137596 /nfs/dbraw/zinc/13/75/96/371137596.db2.gz CQCPYDCHZUROMC-UHFFFAOYSA-N 1 2 238.356 2.419 20 30 BEEDLO CCCCCCCC[NH+]1CC(O)(CC#N)C1 ZINC001642833893 1172408660 /nfs/dbraw/zinc/40/86/60/1172408660.db2.gz FALKPLRJLWZNIL-UHFFFAOYSA-N 1 2 224.348 2.307 20 30 BEEDLO CC[C@H](c1ccccc1)[NH+]1CC(O)(CC#N)C1 ZINC001642834754 1172409454 /nfs/dbraw/zinc/40/94/54/1172409454.db2.gz WVAVAPCGKQMUFE-CYBMUJFWSA-N 1 2 230.311 2.098 20 30 BEEDLO C[C@@H]([NH2+]Cc1cccc(C#N)c1)C(F)F ZINC000228505127 372039114 /nfs/dbraw/zinc/03/91/14/372039114.db2.gz KMCCIFKNUXJBFG-MRVPVSSYSA-N 1 2 210.227 2.301 20 30 BEEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000633335434 373481548 /nfs/dbraw/zinc/48/15/48/373481548.db2.gz YCZBRLQNNRVUMS-QWRGUYRKSA-N 1 2 245.326 2.361 20 30 BEEDLO CC(C)c1ncc(C[N@H+](C)CC2(C#N)CC2)cn1 ZINC000440480886 206076496 /nfs/dbraw/zinc/07/64/96/206076496.db2.gz XNKKXPVWYDSYTQ-UHFFFAOYSA-N 1 2 244.342 2.336 20 30 BEEDLO CC(C)c1ncc(C[N@@H+](C)CC2(C#N)CC2)cn1 ZINC000440480886 206076500 /nfs/dbraw/zinc/07/65/00/206076500.db2.gz XNKKXPVWYDSYTQ-UHFFFAOYSA-N 1 2 244.342 2.336 20 30 BEEDLO CCC[N@H+](C)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000177027767 169085878 /nfs/dbraw/zinc/08/58/78/169085878.db2.gz ZQGDDXFQFAVEHL-ZDUSSCGKSA-N 1 2 246.310 2.114 20 30 BEEDLO CCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000177027767 169085882 /nfs/dbraw/zinc/08/58/82/169085882.db2.gz ZQGDDXFQFAVEHL-ZDUSSCGKSA-N 1 2 246.310 2.114 20 30 BEEDLO C=C(C)C[NH2+][C@H](C(=O)OCC)[C@H](C)CC ZINC000181630730 134338229 /nfs/dbraw/zinc/33/82/29/134338229.db2.gz BROITGCFWPTBCW-MNOVXSKESA-N 1 2 213.321 2.130 20 30 BEEDLO N#Cc1cccc(NCc2ccn3cc[nH+]c3c2)n1 ZINC000339218749 383925614 /nfs/dbraw/zinc/92/56/14/383925614.db2.gz XTVJECKYDBWRBB-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO CN(C)c1ccc(Nc2cccc(C#N)n2)c[nH+]1 ZINC000339217837 383927246 /nfs/dbraw/zinc/92/72/46/383927246.db2.gz KVRAWUAOINOTCE-UHFFFAOYSA-N 1 2 239.282 2.158 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(Cl)cn1 ZINC000558406446 383984425 /nfs/dbraw/zinc/98/44/25/383984425.db2.gz LJAUNDGHODHGJB-UHFFFAOYSA-N 1 2 223.707 2.471 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(Cl)cn1 ZINC000558406446 383984427 /nfs/dbraw/zinc/98/44/27/383984427.db2.gz LJAUNDGHODHGJB-UHFFFAOYSA-N 1 2 223.707 2.471 20 30 BEEDLO C[C@H]([NH2+]CCC#N)c1ccc([N+](=O)[O-])cc1 ZINC000037177163 383954788 /nfs/dbraw/zinc/95/47/88/383954788.db2.gz IKPMOWRAJZKPJH-VIFPVBQESA-N 1 2 219.244 2.159 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000298626381 383964928 /nfs/dbraw/zinc/96/49/28/383964928.db2.gz VKMQUPKUMSKQMD-SNVBAGLBSA-N 1 2 211.696 2.299 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000298626381 383964936 /nfs/dbraw/zinc/96/49/36/383964936.db2.gz VKMQUPKUMSKQMD-SNVBAGLBSA-N 1 2 211.696 2.299 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ncccc1C ZINC000093178334 384165254 /nfs/dbraw/zinc/16/52/54/384165254.db2.gz INQWKCBNQJMVTG-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ncccc1C ZINC000093178334 384165261 /nfs/dbraw/zinc/16/52/61/384165261.db2.gz INQWKCBNQJMVTG-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)CCOc1cccc(C#N)c1 ZINC000042324857 384215221 /nfs/dbraw/zinc/21/52/21/384215221.db2.gz ZTYZVIMEZWAEDP-GFCCVEGCSA-N 1 2 243.310 2.029 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000042324857 384215225 /nfs/dbraw/zinc/21/52/25/384215225.db2.gz ZTYZVIMEZWAEDP-GFCCVEGCSA-N 1 2 243.310 2.029 20 30 BEEDLO CN(Cc1[nH]cc[nH+]1)c1c(F)cc(C#N)cc1F ZINC000336599189 384244712 /nfs/dbraw/zinc/24/47/12/384244712.db2.gz SVMPXKZLTUTZBY-UHFFFAOYSA-N 1 2 248.236 2.196 20 30 BEEDLO Cc1ccoc1C[NH2+]Cc1nc(C#N)cs1 ZINC000336673898 384251195 /nfs/dbraw/zinc/25/11/95/384251195.db2.gz BAVVANYUEFLYDH-UHFFFAOYSA-N 1 2 233.296 2.206 20 30 BEEDLO Cc1cc(N[C@H]2CC=CCC2)c(C#N)c[nH+]1 ZINC000335513652 384295924 /nfs/dbraw/zinc/29/59/24/384295924.db2.gz UDAUYKUCISEDEF-LBPRGKRZSA-N 1 2 213.284 2.204 20 30 BEEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)[C@@H](C)CO1 ZINC000248841035 384382412 /nfs/dbraw/zinc/38/24/12/384382412.db2.gz LMCYHJLTBBRYIO-UONOGXRCSA-N 1 2 229.323 2.147 20 30 BEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)[C@@H](C)CO1 ZINC000248841035 384382418 /nfs/dbraw/zinc/38/24/18/384382418.db2.gz LMCYHJLTBBRYIO-UONOGXRCSA-N 1 2 229.323 2.147 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000079601460 384505553 /nfs/dbraw/zinc/50/55/53/384505553.db2.gz SCJVHTOVDRQBEC-NSHDSACASA-N 1 2 246.310 2.192 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000079601460 384505559 /nfs/dbraw/zinc/50/55/59/384505559.db2.gz SCJVHTOVDRQBEC-NSHDSACASA-N 1 2 246.310 2.192 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc(F)cc1 ZINC000079601622 384507022 /nfs/dbraw/zinc/50/70/22/384507022.db2.gz FERCUMWWRALITJ-LLVKDONJSA-N 1 2 236.290 2.438 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000079601622 384507026 /nfs/dbraw/zinc/50/70/26/384507026.db2.gz FERCUMWWRALITJ-LLVKDONJSA-N 1 2 236.290 2.438 20 30 BEEDLO Cc1ccc2[nH+]c(CN(C)[C@@H](C)CC#N)cn2c1 ZINC000161922986 384544433 /nfs/dbraw/zinc/54/44/33/384544433.db2.gz OZSGSYXKOXWNQU-LBPRGKRZSA-N 1 2 242.326 2.377 20 30 BEEDLO N#CC[N@H+](CCc1ccncc1)C1CCCC1 ZINC000080214934 384538154 /nfs/dbraw/zinc/53/81/54/384538154.db2.gz BQDYBECVNCGMKO-UHFFFAOYSA-N 1 2 229.327 2.392 20 30 BEEDLO N#CC[N@@H+](CCc1ccncc1)C1CCCC1 ZINC000080214934 384538157 /nfs/dbraw/zinc/53/81/57/384538157.db2.gz BQDYBECVNCGMKO-UHFFFAOYSA-N 1 2 229.327 2.392 20 30 BEEDLO C=CC[NH+](CC=C)CC(=O)OCc1ccccc1 ZINC000108491973 384647573 /nfs/dbraw/zinc/64/75/73/384647573.db2.gz AIDFFXVHDKKUFW-UHFFFAOYSA-N 1 2 245.322 2.404 20 30 BEEDLO CC[C@H](CC#N)[NH2+]CC#Cc1ccccc1 ZINC000521063429 384656318 /nfs/dbraw/zinc/65/63/18/384656318.db2.gz USVXMWBDBJVUCI-CQSZACIVSA-N 1 2 212.296 2.320 20 30 BEEDLO C=C(C)CC[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000160209326 384659288 /nfs/dbraw/zinc/65/92/88/384659288.db2.gz GSBFKGUCIVDZSR-CYBMUJFWSA-N 1 2 233.311 2.457 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000101733706 384684842 /nfs/dbraw/zinc/68/48/42/384684842.db2.gz CWUQGGYHLODQCZ-LLVKDONJSA-N 1 2 244.766 2.120 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000101733706 384684846 /nfs/dbraw/zinc/68/48/46/384684846.db2.gz CWUQGGYHLODQCZ-LLVKDONJSA-N 1 2 244.766 2.120 20 30 BEEDLO Cc1nsc(N[C@@H](C)Cn2cc[nH+]c2)c1C#N ZINC000092912543 384715608 /nfs/dbraw/zinc/71/56/08/384715608.db2.gz XCNYGZBRUCKJEP-QMMMGPOBSA-N 1 2 247.327 2.020 20 30 BEEDLO C=C(C)CSc1nc(N)cc(CC)[nH+]1 ZINC000279082406 384790918 /nfs/dbraw/zinc/79/09/18/384790918.db2.gz MAEVVYXHLYZXJK-UHFFFAOYSA-N 1 2 209.318 2.289 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000297458145 384811662 /nfs/dbraw/zinc/81/16/62/384811662.db2.gz PTKGZKIBEYBDRJ-UHFFFAOYSA-N 1 2 248.754 2.195 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000297458145 384811669 /nfs/dbraw/zinc/81/16/69/384811669.db2.gz PTKGZKIBEYBDRJ-UHFFFAOYSA-N 1 2 248.754 2.195 20 30 BEEDLO C#C[C@@H](CC)[NH2+]Cc1c(F)ccc(O)c1F ZINC000491072984 384814022 /nfs/dbraw/zinc/81/40/22/384814022.db2.gz WSEKGWBZTGYNOX-QMMMGPOBSA-N 1 2 225.238 2.172 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000192218625 384915048 /nfs/dbraw/zinc/91/50/48/384915048.db2.gz RVDJKVALDDYGKH-GFCCVEGCSA-N 1 2 244.338 2.141 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000192218625 384915053 /nfs/dbraw/zinc/91/50/53/384915053.db2.gz RVDJKVALDDYGKH-GFCCVEGCSA-N 1 2 244.338 2.141 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1CC ZINC000192238133 384916112 /nfs/dbraw/zinc/91/61/12/384916112.db2.gz XQVBMPXRECIIGQ-GFCCVEGCSA-N 1 2 244.338 2.141 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1CC ZINC000192238133 384916119 /nfs/dbraw/zinc/91/61/19/384916119.db2.gz XQVBMPXRECIIGQ-GFCCVEGCSA-N 1 2 244.338 2.141 20 30 BEEDLO CCCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000085260784 384930437 /nfs/dbraw/zinc/93/04/37/384930437.db2.gz QTMFLHFQMMSAEC-UHFFFAOYSA-N 1 2 210.252 2.181 20 30 BEEDLO CCn1cc[nH+]c1[C@H](C)Nc1ncccc1C#N ZINC000450830932 384942823 /nfs/dbraw/zinc/94/28/23/384942823.db2.gz OSOZNHPIKZKYDB-JTQLQIEISA-N 1 2 241.298 2.343 20 30 BEEDLO C=CC[C@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000302129732 384960347 /nfs/dbraw/zinc/96/03/47/384960347.db2.gz JSQRJADDOXFRLK-LLVKDONJSA-N 1 2 235.331 2.257 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cccc(C#N)c1 ZINC000058575425 385015428 /nfs/dbraw/zinc/01/54/28/385015428.db2.gz CKVAJJOSOBXFDJ-NSHDSACASA-N 1 2 213.284 2.292 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000058575425 385015434 /nfs/dbraw/zinc/01/54/34/385015434.db2.gz CKVAJJOSOBXFDJ-NSHDSACASA-N 1 2 213.284 2.292 20 30 BEEDLO C=CCSCC[NH2+][C@H](CCC)C(=O)OCC ZINC000227692048 385198463 /nfs/dbraw/zinc/19/84/63/385198463.db2.gz BLPSJMPLDHVSGC-LLVKDONJSA-N 1 2 245.388 2.227 20 30 BEEDLO CC(=O)Nc1cccc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000129679573 385173657 /nfs/dbraw/zinc/17/36/57/385173657.db2.gz NOPAMDKJJMHZMY-LLVKDONJSA-N 1 2 245.326 2.379 20 30 BEEDLO CC(=O)Nc1cccc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000129679573 385173663 /nfs/dbraw/zinc/17/36/63/385173663.db2.gz NOPAMDKJJMHZMY-LLVKDONJSA-N 1 2 245.326 2.379 20 30 BEEDLO C=C(C)CNC(=O)Nc1cc[nH+]cc1C ZINC000157700613 385256962 /nfs/dbraw/zinc/25/69/62/385256962.db2.gz SSJNHQVROUJCGV-UHFFFAOYSA-N 1 2 205.261 2.088 20 30 BEEDLO CC[N@@H+](Cc1ccc(C)cn1)C[C@H](C)C#N ZINC000157748179 385273606 /nfs/dbraw/zinc/27/36/06/385273606.db2.gz OUDDYFNGFYQWNH-GFCCVEGCSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1ccc(C)cn1)C[C@H](C)C#N ZINC000157748179 385273614 /nfs/dbraw/zinc/27/36/14/385273614.db2.gz OUDDYFNGFYQWNH-GFCCVEGCSA-N 1 2 217.316 2.372 20 30 BEEDLO CC(C)c1nc(NCCCC#N)cc[nH+]1 ZINC000308974237 385327709 /nfs/dbraw/zinc/32/77/09/385327709.db2.gz GDDBGFCLZCQLDV-UHFFFAOYSA-N 1 2 204.277 2.316 20 30 BEEDLO Cc1cn[nH]c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000290404854 385409374 /nfs/dbraw/zinc/40/93/74/385409374.db2.gz KTUKLJOYPLGNNI-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cn[nH]c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000290404854 385409378 /nfs/dbraw/zinc/40/93/78/385409378.db2.gz KTUKLJOYPLGNNI-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1c[nH]nc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000290404854 385409383 /nfs/dbraw/zinc/40/93/83/385409383.db2.gz KTUKLJOYPLGNNI-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1c[nH]nc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000290404854 385409385 /nfs/dbraw/zinc/40/93/85/385409385.db2.gz KTUKLJOYPLGNNI-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO C=C(CC)C[NH2+]C1(C(=O)OC)CCCC1 ZINC000309092463 385414070 /nfs/dbraw/zinc/41/40/70/385414070.db2.gz BOZOVEBPVIKTJC-UHFFFAOYSA-N 1 2 211.305 2.028 20 30 BEEDLO COc1ccc(C)cc1C[NH2+]C[C@H](C)C#N ZINC000054180731 385600035 /nfs/dbraw/zinc/60/00/35/385600035.db2.gz MRZPVAVAEVMDBG-LLVKDONJSA-N 1 2 218.300 2.253 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cc(F)ccc1F ZINC000054180571 385600166 /nfs/dbraw/zinc/60/01/66/385600166.db2.gz FLOPTGASTBUOAU-MRVPVSSYSA-N 1 2 210.227 2.214 20 30 BEEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCO1 ZINC000159579043 385635403 /nfs/dbraw/zinc/63/54/03/385635403.db2.gz VOJIEFPSCVXMGT-AWEZNQCLSA-N 1 2 248.301 2.308 20 30 BEEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCO1 ZINC000159579043 385635407 /nfs/dbraw/zinc/63/54/07/385635407.db2.gz VOJIEFPSCVXMGT-AWEZNQCLSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@@H](C[N@H+](CCC#N)Cc1ccccn1)OC ZINC000412977276 385824918 /nfs/dbraw/zinc/82/49/18/385824918.db2.gz LLAQYGSNFBZHJW-AWEZNQCLSA-N 1 2 247.342 2.222 20 30 BEEDLO CC[C@@H](C[N@@H+](CCC#N)Cc1ccccn1)OC ZINC000412977276 385824924 /nfs/dbraw/zinc/82/49/24/385824924.db2.gz LLAQYGSNFBZHJW-AWEZNQCLSA-N 1 2 247.342 2.222 20 30 BEEDLO C=CCC[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000335058232 385959415 /nfs/dbraw/zinc/95/94/15/385959415.db2.gz UAEHWANQTFGVQW-KGLIPLIRSA-N 1 2 234.343 2.490 20 30 BEEDLO C=CCC[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000335058232 385959419 /nfs/dbraw/zinc/95/94/19/385959419.db2.gz UAEHWANQTFGVQW-KGLIPLIRSA-N 1 2 234.343 2.490 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H](C)[C@@H](C)O1 ZINC000438355023 385972526 /nfs/dbraw/zinc/97/25/26/385972526.db2.gz QXHLNPPPMOROCE-OUAUKWLOSA-N 1 2 234.299 2.149 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H](C)[C@@H](C)O1 ZINC000438355023 385972531 /nfs/dbraw/zinc/97/25/31/385972531.db2.gz QXHLNPPPMOROCE-OUAUKWLOSA-N 1 2 234.299 2.149 20 30 BEEDLO CCCCCSC[C@H](O)C[N@H+](C)CCC#N ZINC000414154339 386004972 /nfs/dbraw/zinc/00/49/72/386004972.db2.gz TUFJPUSTNCRELA-GFCCVEGCSA-N 1 2 244.404 2.116 20 30 BEEDLO CCCCCSC[C@H](O)C[N@@H+](C)CCC#N ZINC000414154339 386004980 /nfs/dbraw/zinc/00/49/80/386004980.db2.gz TUFJPUSTNCRELA-GFCCVEGCSA-N 1 2 244.404 2.116 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ncc(COC)s1 ZINC000336727851 386038453 /nfs/dbraw/zinc/03/84/53/386038453.db2.gz GWHHIYUWKHKOLI-VIFPVBQESA-N 1 2 239.344 2.071 20 30 BEEDLO CO[C@@H](C)C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000334454112 386103101 /nfs/dbraw/zinc/10/31/01/386103101.db2.gz UYFHXMJIFPPJLS-QWRGUYRKSA-N 1 2 210.321 2.035 20 30 BEEDLO CO[C@@H](C)C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000334454112 386103109 /nfs/dbraw/zinc/10/31/09/386103109.db2.gz UYFHXMJIFPPJLS-QWRGUYRKSA-N 1 2 210.321 2.035 20 30 BEEDLO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(COC)no1 ZINC000181529662 386358714 /nfs/dbraw/zinc/35/87/14/386358714.db2.gz MLTRDXKCIOHDDB-SNVBAGLBSA-N 1 2 239.319 2.175 20 30 BEEDLO C=C(C)C[N@H+](CC)[C@H](C)c1nc(COC)no1 ZINC000181529662 386358718 /nfs/dbraw/zinc/35/87/18/386358718.db2.gz MLTRDXKCIOHDDB-SNVBAGLBSA-N 1 2 239.319 2.175 20 30 BEEDLO Cc1cc(N2CCC[C@H]2C[C@@H](C)O)c(C#N)c[nH+]1 ZINC000398996103 386410890 /nfs/dbraw/zinc/41/08/90/386410890.db2.gz PIYPGUXRAGPFJL-YPMHNXCESA-N 1 2 245.326 2.001 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](F)C1 ZINC000335406088 386562389 /nfs/dbraw/zinc/56/23/89/386562389.db2.gz GDFGMWHAONYUOM-GFCCVEGCSA-N 1 2 204.248 2.102 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000335406088 386562396 /nfs/dbraw/zinc/56/23/96/386562396.db2.gz GDFGMWHAONYUOM-GFCCVEGCSA-N 1 2 204.248 2.102 20 30 BEEDLO CCc1nocc1CNc1cc(CC#N)cc[nH+]1 ZINC000520343235 386652847 /nfs/dbraw/zinc/65/28/47/386652847.db2.gz HCXMJOXAGBEXFP-UHFFFAOYSA-N 1 2 242.282 2.310 20 30 BEEDLO CC(C)n1c[nH+]cc1CN(C)C[C@H](C)C#N ZINC000425328474 386660731 /nfs/dbraw/zinc/66/07/31/386660731.db2.gz RLHLUJSRWPFTNM-LLVKDONJSA-N 1 2 220.320 2.055 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093475638 386834550 /nfs/dbraw/zinc/83/45/50/386834550.db2.gz SVWAJNNNGOVPAQ-UHFFFAOYSA-N 1 2 249.317 2.145 20 30 BEEDLO N#Cc1cccc([C@@H]2C[N@H+](CCCF)CCO2)c1 ZINC000367141869 386957200 /nfs/dbraw/zinc/95/72/00/386957200.db2.gz SBBQPQSDMWWBJN-AWEZNQCLSA-N 1 2 248.301 2.291 20 30 BEEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCCF)CCO2)c1 ZINC000367141869 386957206 /nfs/dbraw/zinc/95/72/06/386957206.db2.gz SBBQPQSDMWWBJN-AWEZNQCLSA-N 1 2 248.301 2.291 20 30 BEEDLO C[C@H]([NH2+]Cc1cocn1)c1ccc(C#N)cc1 ZINC000346864625 387003736 /nfs/dbraw/zinc/00/37/36/387003736.db2.gz UWVHIFXDUNKJKV-JTQLQIEISA-N 1 2 227.267 2.397 20 30 BEEDLO Cc1cc(N[C@@H]2CCC2(C)C)c(C#N)c[nH+]1 ZINC000399413626 387060155 /nfs/dbraw/zinc/06/01/55/387060155.db2.gz CRLYUXBRTAQNGI-GFCCVEGCSA-N 1 2 215.300 2.284 20 30 BEEDLO COC[C@@H]1CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399484019 387013906 /nfs/dbraw/zinc/01/39/06/387013906.db2.gz CXSDIONMZCJHFI-GFCCVEGCSA-N 1 2 245.326 2.125 20 30 BEEDLO CO[C@H]1CN(c2cc(C)[nH+]cc2C#N)CC[C@H]1C ZINC000399423751 387091553 /nfs/dbraw/zinc/09/15/53/387091553.db2.gz CFNDWPINAYAHKO-YGRLFVJLSA-N 1 2 245.326 2.123 20 30 BEEDLO N#Cc1ccc(C[NH2+]CC2(C#N)CCC2)c(F)c1 ZINC000418141315 387164980 /nfs/dbraw/zinc/16/49/80/387164980.db2.gz KXFQAMQPNALYRG-UHFFFAOYSA-N 1 2 243.285 2.481 20 30 BEEDLO N#CC1(C[NH2+]Cc2cccc3c2OCO3)CCC1 ZINC000418144307 387166650 /nfs/dbraw/zinc/16/66/50/387166650.db2.gz SNCPRXJYDFBYEB-UHFFFAOYSA-N 1 2 244.294 2.199 20 30 BEEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000424677619 387244779 /nfs/dbraw/zinc/24/47/79/387244779.db2.gz HSXAOIGBYZKSKW-GFCCVEGCSA-N 1 2 249.358 2.238 20 30 BEEDLO CC(C)(C#N)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000161767168 387264528 /nfs/dbraw/zinc/26/45/28/387264528.db2.gz QWEIHPURRGEPIJ-CYBMUJFWSA-N 1 2 229.327 2.475 20 30 BEEDLO CC(C)(C#N)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000161767168 387264532 /nfs/dbraw/zinc/26/45/32/387264532.db2.gz QWEIHPURRGEPIJ-CYBMUJFWSA-N 1 2 229.327 2.475 20 30 BEEDLO CC(C)(C#N)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000161767035 387265775 /nfs/dbraw/zinc/26/57/75/387265775.db2.gz QWEIHPURRGEPIJ-ZDUSSCGKSA-N 1 2 229.327 2.475 20 30 BEEDLO CC(C)(C#N)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000161767035 387265783 /nfs/dbraw/zinc/26/57/83/387265783.db2.gz QWEIHPURRGEPIJ-ZDUSSCGKSA-N 1 2 229.327 2.475 20 30 BEEDLO COc1ccc(C[NH2+]CC(C)(C)C#N)c(OC)c1 ZINC000168930536 387372834 /nfs/dbraw/zinc/37/28/34/387372834.db2.gz NVTJVSXERAJWTG-UHFFFAOYSA-N 1 2 248.326 2.343 20 30 BEEDLO CCc1nn(C)cc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000611416567 387330204 /nfs/dbraw/zinc/33/02/04/387330204.db2.gz MVFLBZKDEQZBEI-NSHDSACASA-N 1 2 246.358 2.107 20 30 BEEDLO CCc1nn(C)cc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000611416567 387330207 /nfs/dbraw/zinc/33/02/07/387330207.db2.gz MVFLBZKDEQZBEI-NSHDSACASA-N 1 2 246.358 2.107 20 30 BEEDLO CC[C@]1(C)C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000191153138 387350213 /nfs/dbraw/zinc/35/02/13/387350213.db2.gz ICMBHKUBPOKUIG-CYBMUJFWSA-N 1 2 234.299 2.152 20 30 BEEDLO CC[C@]1(C)C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000191153138 387350216 /nfs/dbraw/zinc/35/02/16/387350216.db2.gz ICMBHKUBPOKUIG-CYBMUJFWSA-N 1 2 234.299 2.152 20 30 BEEDLO C#CCC[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000270607962 387433077 /nfs/dbraw/zinc/43/30/77/387433077.db2.gz MUVBEHKAJOWYIB-OAHLLOKOSA-N 1 2 245.322 2.092 20 30 BEEDLO C#CCC[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000270607962 387433083 /nfs/dbraw/zinc/43/30/83/387433083.db2.gz MUVBEHKAJOWYIB-OAHLLOKOSA-N 1 2 245.322 2.092 20 30 BEEDLO C=CCCCCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000265738527 387400558 /nfs/dbraw/zinc/40/05/58/387400558.db2.gz UXBOXLLIHHCVCC-UHFFFAOYSA-N 1 2 249.358 2.478 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccc(F)cc1F ZINC000266023291 387403135 /nfs/dbraw/zinc/40/31/35/387403135.db2.gz QDFOAITXNOGELD-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccc(F)cc1F ZINC000266023291 387403142 /nfs/dbraw/zinc/40/31/42/387403142.db2.gz QDFOAITXNOGELD-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1cncs1 ZINC000162704917 387498911 /nfs/dbraw/zinc/49/89/11/387498911.db2.gz KUZREPLZLJXYIU-UHFFFAOYSA-N 1 2 209.318 2.267 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1cncs1 ZINC000162704917 387498914 /nfs/dbraw/zinc/49/89/14/387498914.db2.gz KUZREPLZLJXYIU-UHFFFAOYSA-N 1 2 209.318 2.267 20 30 BEEDLO C[N@@H+](Cc1ccoc1)Cc1ccc(C#N)o1 ZINC000352655865 387511714 /nfs/dbraw/zinc/51/17/14/387511714.db2.gz XHVBHKCRHYWGOK-UHFFFAOYSA-N 1 2 216.240 2.376 20 30 BEEDLO C[N@H+](Cc1ccoc1)Cc1ccc(C#N)o1 ZINC000352655865 387511720 /nfs/dbraw/zinc/51/17/20/387511720.db2.gz XHVBHKCRHYWGOK-UHFFFAOYSA-N 1 2 216.240 2.376 20 30 BEEDLO N#Cc1csc(C[NH2+]Cc2ccc(F)cc2)n1 ZINC000352852901 387512823 /nfs/dbraw/zinc/51/28/23/387512823.db2.gz LQBZWDKLNGOTOX-UHFFFAOYSA-N 1 2 247.298 2.444 20 30 BEEDLO C#CCCCC(=O)Nc1cc[nH+]cc1CC ZINC000276949462 387526441 /nfs/dbraw/zinc/52/64/41/387526441.db2.gz BSSXFQVURJWKPY-UHFFFAOYSA-N 1 2 216.284 2.386 20 30 BEEDLO C#CCn1ccc(C[N@H+](CC)C/C=C/Cl)n1 ZINC000279802236 387570750 /nfs/dbraw/zinc/57/07/50/387570750.db2.gz WTKHDRPNRAVCNX-FNORWQNLSA-N 1 2 237.734 2.091 20 30 BEEDLO C#CCn1ccc(C[N@@H+](CC)C/C=C/Cl)n1 ZINC000279802236 387570755 /nfs/dbraw/zinc/57/07/55/387570755.db2.gz WTKHDRPNRAVCNX-FNORWQNLSA-N 1 2 237.734 2.091 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cc(OC)cc(OC)c1 ZINC000123335535 387683067 /nfs/dbraw/zinc/68/30/67/387683067.db2.gz ZKMKMSOEBRHMRX-UHFFFAOYSA-N 1 2 248.326 2.439 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cc(OC)cc(OC)c1 ZINC000123335535 387683071 /nfs/dbraw/zinc/68/30/71/387683071.db2.gz ZKMKMSOEBRHMRX-UHFFFAOYSA-N 1 2 248.326 2.439 20 30 BEEDLO CCCCN(C)c1cc(C)[nH+]cc1C#N ZINC000399490739 387744462 /nfs/dbraw/zinc/74/44/62/387744462.db2.gz GSFKHHCUJGFYQO-UHFFFAOYSA-N 1 2 203.289 2.498 20 30 BEEDLO N#Cc1ccccc1OCCOc1cc[nH+]cc1 ZINC000431504931 387714142 /nfs/dbraw/zinc/71/41/42/387714142.db2.gz HUEGEGIHEFDRQH-UHFFFAOYSA-N 1 2 240.262 2.411 20 30 BEEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1[nH+]cccc1OC ZINC000527992232 387806083 /nfs/dbraw/zinc/80/60/83/387806083.db2.gz CNZBMKOHBHPAOU-AAEUAGOBSA-N 1 2 248.326 2.483 20 30 BEEDLO C=C(Br)C[N@@H+]1CCS[C@H](C)C1 ZINC000170901330 387825760 /nfs/dbraw/zinc/82/57/60/387825760.db2.gz UACLPWKJNNWVFU-MRVPVSSYSA-N 1 2 236.178 2.332 20 30 BEEDLO C=C(Br)C[N@H+]1CCS[C@H](C)C1 ZINC000170901330 387825763 /nfs/dbraw/zinc/82/57/63/387825763.db2.gz UACLPWKJNNWVFU-MRVPVSSYSA-N 1 2 236.178 2.332 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432853306 387834426 /nfs/dbraw/zinc/83/44/26/387834426.db2.gz JUVCDRLZABUSOO-UHFFFAOYSA-N 1 2 222.336 2.110 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432853306 387834432 /nfs/dbraw/zinc/83/44/32/387834432.db2.gz JUVCDRLZABUSOO-UHFFFAOYSA-N 1 2 222.336 2.110 20 30 BEEDLO Cc1noc(C)c1CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166892 387949336 /nfs/dbraw/zinc/94/93/36/387949336.db2.gz SUSXCOBJEYRJBY-CQSZACIVSA-N 1 2 247.342 2.460 20 30 BEEDLO Cc1noc(C)c1CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166892 387949339 /nfs/dbraw/zinc/94/93/39/387949339.db2.gz SUSXCOBJEYRJBY-CQSZACIVSA-N 1 2 247.342 2.460 20 30 BEEDLO C=C(CC)C[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000453356646 388058836 /nfs/dbraw/zinc/05/88/36/388058836.db2.gz LABKCDNZBFWYJD-ZDUSSCGKSA-N 1 2 242.326 2.450 20 30 BEEDLO C=CCCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000447814962 388094913 /nfs/dbraw/zinc/09/49/13/388094913.db2.gz CEARMFRHTFPRRT-UHFFFAOYSA-N 1 2 232.331 2.099 20 30 BEEDLO C=CCCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000447814962 388094917 /nfs/dbraw/zinc/09/49/17/388094917.db2.gz CEARMFRHTFPRRT-UHFFFAOYSA-N 1 2 232.331 2.099 20 30 BEEDLO C=C(C)CCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455328157 388156476 /nfs/dbraw/zinc/15/64/76/388156476.db2.gz QVXKNHHVCZSVNY-WDEREUQCSA-N 1 2 248.330 2.154 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccncc1F ZINC000449242091 388160833 /nfs/dbraw/zinc/16/08/33/388160833.db2.gz DMFINRKHYKWONI-SNVBAGLBSA-N 1 2 207.252 2.003 20 30 BEEDLO C#C[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000164858984 388249383 /nfs/dbraw/zinc/24/93/83/388249383.db2.gz YASCXKGFEWXZLJ-VIFPVBQESA-N 1 2 203.289 2.342 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cnc(C2CC2)s1 ZINC000490916768 388259594 /nfs/dbraw/zinc/25/95/94/388259594.db2.gz VEFCETZWBVROID-UHFFFAOYSA-N 1 2 244.363 2.479 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cnc(C2CC2)s1 ZINC000490916768 388259596 /nfs/dbraw/zinc/25/95/96/388259596.db2.gz VEFCETZWBVROID-UHFFFAOYSA-N 1 2 244.363 2.479 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1nc(C2CC2)cs1 ZINC000491287982 388282315 /nfs/dbraw/zinc/28/23/15/388282315.db2.gz OYMMKFJPRNIBEB-SECBINFHSA-N 1 2 220.341 2.474 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1nc(C2CC2)cs1 ZINC000491287982 388282316 /nfs/dbraw/zinc/28/23/16/388282316.db2.gz OYMMKFJPRNIBEB-SECBINFHSA-N 1 2 220.341 2.474 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cccc(F)c1C#N ZINC000491315578 388284693 /nfs/dbraw/zinc/28/46/93/388284693.db2.gz OEHKZWBIAIAFLO-UHFFFAOYSA-N 1 2 216.259 2.152 20 30 BEEDLO C#CC[N@H+](CC)Cc1cccc(F)c1C#N ZINC000491315578 388284695 /nfs/dbraw/zinc/28/46/95/388284695.db2.gz OEHKZWBIAIAFLO-UHFFFAOYSA-N 1 2 216.259 2.152 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1ccncc1F ZINC000491338381 388286565 /nfs/dbraw/zinc/28/65/65/388286565.db2.gz IAZPMFUYLQPPIW-UHFFFAOYSA-N 1 2 206.264 2.064 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1ccncc1F ZINC000491338381 388286567 /nfs/dbraw/zinc/28/65/67/388286567.db2.gz IAZPMFUYLQPPIW-UHFFFAOYSA-N 1 2 206.264 2.064 20 30 BEEDLO C#CC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000491462756 388295987 /nfs/dbraw/zinc/29/59/87/388295987.db2.gz KEUIEEFCDGKLMU-SNVBAGLBSA-N 1 2 235.249 2.051 20 30 BEEDLO C#CC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000491462756 388295989 /nfs/dbraw/zinc/29/59/89/388295989.db2.gz KEUIEEFCDGKLMU-SNVBAGLBSA-N 1 2 235.249 2.051 20 30 BEEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H](F)CC)n1 ZINC000491483984 388297888 /nfs/dbraw/zinc/29/78/88/388297888.db2.gz GHNHBKYGWSGSGJ-GFCCVEGCSA-N 1 2 237.322 2.086 20 30 BEEDLO C#CCn1ccc(C[N@H+](CC)C[C@H](F)CC)n1 ZINC000491483984 388297890 /nfs/dbraw/zinc/29/78/90/388297890.db2.gz GHNHBKYGWSGSGJ-GFCCVEGCSA-N 1 2 237.322 2.086 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000491536960 388302022 /nfs/dbraw/zinc/30/20/22/388302022.db2.gz NHFILBSPXIHGNH-SNVBAGLBSA-N 1 2 216.259 2.151 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000491536960 388302023 /nfs/dbraw/zinc/30/20/23/388302023.db2.gz NHFILBSPXIHGNH-SNVBAGLBSA-N 1 2 216.259 2.151 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1c(C)nsc1C ZINC000491699303 388312473 /nfs/dbraw/zinc/31/24/73/388312473.db2.gz UQGYOHMHZVPDRE-UHFFFAOYSA-N 1 2 232.352 2.218 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1c(C)nsc1C ZINC000491699303 388312474 /nfs/dbraw/zinc/31/24/74/388312474.db2.gz UQGYOHMHZVPDRE-UHFFFAOYSA-N 1 2 232.352 2.218 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccnc(Cl)c1F ZINC000491703414 388312774 /nfs/dbraw/zinc/31/27/74/388312774.db2.gz NOMYDNLMBIMPPH-MRVPVSSYSA-N 1 2 226.682 2.328 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccnc(Cl)c1F ZINC000491703414 388312775 /nfs/dbraw/zinc/31/27/75/388312775.db2.gz NOMYDNLMBIMPPH-MRVPVSSYSA-N 1 2 226.682 2.328 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1csc([C@H](C)OC)n1 ZINC000491718955 388314623 /nfs/dbraw/zinc/31/46/23/388314623.db2.gz XHQLYFYMCVQNDW-UWVGGRQHSA-N 1 2 238.356 2.304 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1csc([C@H](C)OC)n1 ZINC000491718955 388314624 /nfs/dbraw/zinc/31/46/24/388314624.db2.gz XHQLYFYMCVQNDW-UWVGGRQHSA-N 1 2 238.356 2.304 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC000491769519 388318929 /nfs/dbraw/zinc/31/89/29/388318929.db2.gz MOHJNSKZDQAARG-UHFFFAOYSA-N 1 2 216.259 2.152 20 30 BEEDLO C#CC[N@H+](CC)Cc1cc(F)ccc1C#N ZINC000491769519 388318930 /nfs/dbraw/zinc/31/89/30/388318930.db2.gz MOHJNSKZDQAARG-UHFFFAOYSA-N 1 2 216.259 2.152 20 30 BEEDLO C#CCN(CC)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491779974 388320497 /nfs/dbraw/zinc/32/04/97/388320497.db2.gz JSPCXDJTNHQBFO-UHFFFAOYSA-N 1 2 245.326 2.494 20 30 BEEDLO C#C[C@@H](C)N(C)c1[nH+]c2ccc(F)cc2n1C ZINC000491785344 388321073 /nfs/dbraw/zinc/32/10/73/388321073.db2.gz UPNLARZBRHBNHS-SECBINFHSA-N 1 2 231.274 2.170 20 30 BEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc[nH]n1 ZINC000442668837 388359762 /nfs/dbraw/zinc/35/97/62/388359762.db2.gz BJWKGHNDGPUVGY-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc[nH]n1 ZINC000442668837 388359765 /nfs/dbraw/zinc/35/97/65/388359765.db2.gz BJWKGHNDGPUVGY-NSHDSACASA-N 1 2 240.310 2.474 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1nc2ccccc2[nH]1 ZINC000573147189 388425127 /nfs/dbraw/zinc/42/51/27/388425127.db2.gz STGVKFOKELPUHY-SNVBAGLBSA-N 1 2 228.299 2.345 20 30 BEEDLO Cc1c[nH+]ccc1CCNc1ccc(C#N)nc1 ZINC000166699000 388430680 /nfs/dbraw/zinc/43/06/80/388430680.db2.gz PDBJBHZTJOCUGR-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(CO)ccc1F ZINC000528518116 388541342 /nfs/dbraw/zinc/54/13/42/388541342.db2.gz GEQFGEATYUFKSC-LBPRGKRZSA-N 1 2 236.290 2.100 20 30 BEEDLO CC#CC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)CC ZINC000136765110 388548709 /nfs/dbraw/zinc/54/87/09/388548709.db2.gz IQYJATQARXJOOG-GFCCVEGCSA-N 1 2 239.359 2.452 20 30 BEEDLO CC#CC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)CC ZINC000136765110 388548711 /nfs/dbraw/zinc/54/87/11/388548711.db2.gz IQYJATQARXJOOG-GFCCVEGCSA-N 1 2 239.359 2.452 20 30 BEEDLO Cc1cc(C#N)cc(C)c1OCc1c[nH+]cn1C ZINC000091278505 388608435 /nfs/dbraw/zinc/60/84/35/388608435.db2.gz XABOPSYRWLQLIR-UHFFFAOYSA-N 1 2 241.294 2.488 20 30 BEEDLO Cc1c[nH+]ccc1CCNc1cccnc1C#N ZINC000357449131 388615333 /nfs/dbraw/zinc/61/53/33/388615333.db2.gz BSGBUPHLTWLNQZ-UHFFFAOYSA-N 1 2 238.294 2.311 20 30 BEEDLO N#CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528653722 388555509 /nfs/dbraw/zinc/55/55/09/388555509.db2.gz WXZNYLGHCLVLID-ZDUSSCGKSA-N 1 2 215.300 2.426 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000192221603 388676205 /nfs/dbraw/zinc/67/62/05/388676205.db2.gz PIJQTAMVFBLRJW-UHFFFAOYSA-N 1 2 243.285 2.076 20 30 BEEDLO C#CC[N@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000192221603 388676207 /nfs/dbraw/zinc/67/62/07/388676207.db2.gz PIJQTAMVFBLRJW-UHFFFAOYSA-N 1 2 243.285 2.076 20 30 BEEDLO C#CCN(c1cc[nH+]c(C)n1)C1CCCC1 ZINC000192556819 388679705 /nfs/dbraw/zinc/67/97/05/388679705.db2.gz VHECXJSZSNSUMO-UHFFFAOYSA-N 1 2 215.300 2.167 20 30 BEEDLO Cc1noc([C@H](C)[NH2+]Cc2cc(C#N)cs2)n1 ZINC000359722596 388630643 /nfs/dbraw/zinc/63/06/43/388630643.db2.gz UAAGDEKWNVUTGM-ZETCQYMHSA-N 1 2 248.311 2.162 20 30 BEEDLO CCn1cc[nH+]c1CNc1cc(C)nc(C#N)c1 ZINC000308275150 388658460 /nfs/dbraw/zinc/65/84/60/388658460.db2.gz LINRIAGGMLFVHI-UHFFFAOYSA-N 1 2 241.298 2.090 20 30 BEEDLO COc1ccc(C[C@@H](C)C[N@H+](C)CC#N)cc1 ZINC000090617015 388749211 /nfs/dbraw/zinc/74/92/11/388749211.db2.gz JLMVLJRNGTZDMD-GFCCVEGCSA-N 1 2 232.327 2.329 20 30 BEEDLO COc1ccc(C[C@@H](C)C[N@@H+](C)CC#N)cc1 ZINC000090617015 388749215 /nfs/dbraw/zinc/74/92/15/388749215.db2.gz JLMVLJRNGTZDMD-GFCCVEGCSA-N 1 2 232.327 2.329 20 30 BEEDLO COc1ccc(C[C@H](C)C[N@H+](C)CC#N)cc1 ZINC000090617013 388749334 /nfs/dbraw/zinc/74/93/34/388749334.db2.gz JLMVLJRNGTZDMD-LBPRGKRZSA-N 1 2 232.327 2.329 20 30 BEEDLO COc1ccc(C[C@H](C)C[N@@H+](C)CC#N)cc1 ZINC000090617013 388749335 /nfs/dbraw/zinc/74/93/35/388749335.db2.gz JLMVLJRNGTZDMD-LBPRGKRZSA-N 1 2 232.327 2.329 20 30 BEEDLO CCCn1cc(C[N@H+](CC)CCC#N)cn1 ZINC000127630502 388728814 /nfs/dbraw/zinc/72/88/14/388728814.db2.gz GCOBGBJSMLZJNU-UHFFFAOYSA-N 1 2 220.320 2.029 20 30 BEEDLO CCCn1cc(C[N@@H+](CC)CCC#N)cn1 ZINC000127630502 388728818 /nfs/dbraw/zinc/72/88/18/388728818.db2.gz GCOBGBJSMLZJNU-UHFFFAOYSA-N 1 2 220.320 2.029 20 30 BEEDLO CC[N@H+](CCC#N)Cc1scnc1C ZINC000127670604 388729360 /nfs/dbraw/zinc/72/93/60/388729360.db2.gz JSSWAIDSXYGLNR-UHFFFAOYSA-N 1 2 209.318 2.187 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1scnc1C ZINC000127670604 388729362 /nfs/dbraw/zinc/72/93/62/388729362.db2.gz JSSWAIDSXYGLNR-UHFFFAOYSA-N 1 2 209.318 2.187 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC000156134919 388790280 /nfs/dbraw/zinc/79/02/80/388790280.db2.gz ITBVALCRUZKNOW-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC000156134919 388790284 /nfs/dbraw/zinc/79/02/84/388790284.db2.gz ITBVALCRUZKNOW-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccn[nH]1)c1ccc(C#N)cc1 ZINC000037508479 388885959 /nfs/dbraw/zinc/88/59/59/388885959.db2.gz XOHPNNMMKUHIJC-SNVBAGLBSA-N 1 2 226.283 2.132 20 30 BEEDLO C[C@H]([NH2+]Cc1csnn1)c1ccc(C#N)cc1 ZINC000037508480 388886039 /nfs/dbraw/zinc/88/60/39/388886039.db2.gz JDPFOWFQLHWJCT-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]CCC#N ZINC000565771053 388967496 /nfs/dbraw/zinc/96/74/96/388967496.db2.gz VMMJPSLIBXRVPE-BXKDBHETSA-N 1 2 202.257 2.012 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CCc1ccc(CC)cc1 ZINC001646112607 1172712671 /nfs/dbraw/zinc/71/26/71/1172712671.db2.gz JWTLMGWGGBRALR-MRXNPFEDSA-N 1 2 243.350 2.126 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CCc1ccc(CC)cc1 ZINC001646112607 1172712676 /nfs/dbraw/zinc/71/26/76/1172712676.db2.gz JWTLMGWGGBRALR-MRXNPFEDSA-N 1 2 243.350 2.126 20 30 BEEDLO C[N@H+](Cc1ccc(C#N)cc1)CC1(C#N)CC1 ZINC000332176296 134004548 /nfs/dbraw/zinc/00/45/48/134004548.db2.gz VMQDUEJQOIBZRR-UHFFFAOYSA-N 1 2 225.295 2.294 20 30 BEEDLO C[N@@H+](Cc1ccc(C#N)cc1)CC1(C#N)CC1 ZINC000332176296 134004549 /nfs/dbraw/zinc/00/45/49/134004549.db2.gz VMQDUEJQOIBZRR-UHFFFAOYSA-N 1 2 225.295 2.294 20 30 BEEDLO N#CC1(C[N@@H+]2CCc3cc(F)ccc3C2)CC1 ZINC000335954734 134022761 /nfs/dbraw/zinc/02/27/61/134022761.db2.gz ANQAODLSUGYPOH-UHFFFAOYSA-N 1 2 230.286 2.488 20 30 BEEDLO N#CC1(C[N@H+]2CCc3cc(F)ccc3C2)CC1 ZINC000335954734 134022762 /nfs/dbraw/zinc/02/27/62/134022762.db2.gz ANQAODLSUGYPOH-UHFFFAOYSA-N 1 2 230.286 2.488 20 30 BEEDLO C=C(C)CC[N@@H+](CCOC)CC(F)F ZINC000352051406 134048104 /nfs/dbraw/zinc/04/81/04/134048104.db2.gz ZSTUKISEXBBPKP-UHFFFAOYSA-N 1 2 207.264 2.166 20 30 BEEDLO C=C(C)CC[N@H+](CCOC)CC(F)F ZINC000352051406 134048105 /nfs/dbraw/zinc/04/81/05/134048105.db2.gz ZSTUKISEXBBPKP-UHFFFAOYSA-N 1 2 207.264 2.166 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000336077644 134073759 /nfs/dbraw/zinc/07/37/59/134073759.db2.gz PDOPAGZHCZFJFT-OAHLLOKOSA-N 1 2 242.322 2.422 20 30 BEEDLO N#CCC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000336077644 134073760 /nfs/dbraw/zinc/07/37/60/134073760.db2.gz PDOPAGZHCZFJFT-OAHLLOKOSA-N 1 2 242.322 2.422 20 30 BEEDLO C=C(C[NH2+][C@H](C(=O)OC)C1CC1)c1ccccc1 ZINC000352266766 134128753 /nfs/dbraw/zinc/12/87/53/134128753.db2.gz XSRNCWDYMXDXED-AWEZNQCLSA-N 1 2 245.322 2.241 20 30 BEEDLO C=C(C)C[N@@H+]1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000336236285 134140190 /nfs/dbraw/zinc/14/01/90/134140190.db2.gz ZYXLDTDAQWBDHV-LLVKDONJSA-N 1 2 220.320 2.216 20 30 BEEDLO C=C(C)C[N@H+]1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000336236285 134140191 /nfs/dbraw/zinc/14/01/91/134140191.db2.gz ZYXLDTDAQWBDHV-LLVKDONJSA-N 1 2 220.320 2.216 20 30 BEEDLO C=C1CC[NH+](Cc2nnc(C)n2C2CC2)CC1 ZINC000336319746 134143485 /nfs/dbraw/zinc/14/34/85/134143485.db2.gz TWGFFRLAJMNDKY-UHFFFAOYSA-N 1 2 232.331 2.073 20 30 BEEDLO N#CC1(F)CC[NH+](Cc2cncc(F)c2)CC1 ZINC000352458546 134146060 /nfs/dbraw/zinc/14/60/60/134146060.db2.gz LWGFWDFPRNWMPJ-UHFFFAOYSA-N 1 2 237.253 2.048 20 30 BEEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC#N ZINC000336422278 134146837 /nfs/dbraw/zinc/14/68/37/134146837.db2.gz GFWXJTFLNJAZIX-YUMQZZPRSA-N 1 2 206.211 2.173 20 30 BEEDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCC#N ZINC000336422278 134146838 /nfs/dbraw/zinc/14/68/38/134146838.db2.gz GFWXJTFLNJAZIX-YUMQZZPRSA-N 1 2 206.211 2.173 20 30 BEEDLO CC1(C)CCC[N@H+](C[C@H]2CCOC2)[C@@H]1C#N ZINC000336461037 134147968 /nfs/dbraw/zinc/14/79/68/134147968.db2.gz DPVUGSSFFCOGBM-VXGBXAGGSA-N 1 2 222.332 2.037 20 30 BEEDLO CC1(C)CCC[N@@H+](C[C@H]2CCOC2)[C@@H]1C#N ZINC000336461037 134147969 /nfs/dbraw/zinc/14/79/69/134147969.db2.gz DPVUGSSFFCOGBM-VXGBXAGGSA-N 1 2 222.332 2.037 20 30 BEEDLO CC1(C)CCC[N@H+](C[C@@H]2CCOC2)[C@@H]1C#N ZINC000336461035 134148060 /nfs/dbraw/zinc/14/80/60/134148060.db2.gz DPVUGSSFFCOGBM-NWDGAFQWSA-N 1 2 222.332 2.037 20 30 BEEDLO CC1(C)CCC[N@@H+](C[C@@H]2CCOC2)[C@@H]1C#N ZINC000336461035 134148061 /nfs/dbraw/zinc/14/80/61/134148061.db2.gz DPVUGSSFFCOGBM-NWDGAFQWSA-N 1 2 222.332 2.037 20 30 BEEDLO CC[N@@H+](Cc1cccc(O)c1OC)C[C@@H](C)C#N ZINC000352695339 134150999 /nfs/dbraw/zinc/15/09/99/134150999.db2.gz YSYCXXTVAPMBAA-NSHDSACASA-N 1 2 248.326 2.382 20 30 BEEDLO CC[N@H+](Cc1cccc(O)c1OC)C[C@@H](C)C#N ZINC000352695339 134151000 /nfs/dbraw/zinc/15/10/00/134151000.db2.gz YSYCXXTVAPMBAA-NSHDSACASA-N 1 2 248.326 2.382 20 30 BEEDLO N#CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000336618860 134151385 /nfs/dbraw/zinc/15/13/85/134151385.db2.gz FXQDECPGPGZHHN-CQSZACIVSA-N 1 2 214.312 2.465 20 30 BEEDLO N#CC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000336618860 134151386 /nfs/dbraw/zinc/15/13/86/134151386.db2.gz FXQDECPGPGZHHN-CQSZACIVSA-N 1 2 214.312 2.465 20 30 BEEDLO Cc1[nH+]c2ccccn2c1CN(CC#N)C1CC1 ZINC000352741776 134151956 /nfs/dbraw/zinc/15/19/56/134151956.db2.gz IQCXFMTYIPAFCO-UHFFFAOYSA-N 1 2 240.310 2.131 20 30 BEEDLO C=CC[NH+](CC=C)[C@H](CCC)C(=O)OCC ZINC000167915834 134154508 /nfs/dbraw/zinc/15/45/08/134154508.db2.gz FLZHUEAVQFWFGR-GFCCVEGCSA-N 1 2 225.332 2.392 20 30 BEEDLO C#CCOCCNc1ccc2ccccc2[nH+]1 ZINC000302129320 134157427 /nfs/dbraw/zinc/15/74/27/134157427.db2.gz GHBFXTAOYUZJKQ-UHFFFAOYSA-N 1 2 226.279 2.297 20 30 BEEDLO C=CCO[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000302139221 134157557 /nfs/dbraw/zinc/15/75/57/134157557.db2.gz IWCJDNACEATRKT-GFCCVEGCSA-N 1 2 247.342 2.381 20 30 BEEDLO C=CCO[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000302142993 134157700 /nfs/dbraw/zinc/15/77/00/134157700.db2.gz JYLJMLPZCSPHHU-ZDUSSCGKSA-N 1 2 247.342 2.183 20 30 BEEDLO C[N@H+](Cc1cccc2c1OCO2)CC(C)(C)C#N ZINC000354041030 134166494 /nfs/dbraw/zinc/16/64/94/134166494.db2.gz QMTRNDROJAFEBD-UHFFFAOYSA-N 1 2 246.310 2.397 20 30 BEEDLO C[N@@H+](Cc1cccc2c1OCO2)CC(C)(C)C#N ZINC000354041030 134166495 /nfs/dbraw/zinc/16/64/95/134166495.db2.gz QMTRNDROJAFEBD-UHFFFAOYSA-N 1 2 246.310 2.397 20 30 BEEDLO CC#CC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000357582370 134183935 /nfs/dbraw/zinc/18/39/35/134183935.db2.gz PAEWBESSEXYFGT-UHFFFAOYSA-N 1 2 239.322 2.435 20 30 BEEDLO CC#CC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000357582370 134183936 /nfs/dbraw/zinc/18/39/36/134183936.db2.gz PAEWBESSEXYFGT-UHFFFAOYSA-N 1 2 239.322 2.435 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)cc(C)n1 ZINC000358286646 134187411 /nfs/dbraw/zinc/18/74/11/134187411.db2.gz KRAVKDZKRWBBNA-NSHDSACASA-N 1 2 233.315 2.181 20 30 BEEDLO CC[C@@H](CC#N)NCc1cc(OC)cc(C)[nH+]1 ZINC000358286646 134187412 /nfs/dbraw/zinc/18/74/12/134187412.db2.gz KRAVKDZKRWBBNA-NSHDSACASA-N 1 2 233.315 2.181 20 30 BEEDLO CC[N@H+](CCC#N)Cc1c(C)cc(OC)nc1C ZINC000359233494 134194391 /nfs/dbraw/zinc/19/43/91/134194391.db2.gz XFFIBMLLHNXODR-UHFFFAOYSA-N 1 2 247.342 2.443 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1c(C)cc(OC)nc1C ZINC000359233494 134194392 /nfs/dbraw/zinc/19/43/92/134194392.db2.gz XFFIBMLLHNXODR-UHFFFAOYSA-N 1 2 247.342 2.443 20 30 BEEDLO CCC[N@H+](CC#N)C[C@H](O)CCC(C)C ZINC000361268051 134204062 /nfs/dbraw/zinc/20/40/62/134204062.db2.gz TWCLAHCQNUUUPQ-GFCCVEGCSA-N 1 2 212.337 2.019 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@H](O)CCC(C)C ZINC000361268051 134204063 /nfs/dbraw/zinc/20/40/63/134204063.db2.gz TWCLAHCQNUUUPQ-GFCCVEGCSA-N 1 2 212.337 2.019 20 30 BEEDLO C=C(C)C[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000361984956 134208511 /nfs/dbraw/zinc/20/85/11/134208511.db2.gz MHCKTRFWHAMNKP-HNNXBMFYSA-N 1 2 247.338 2.342 20 30 BEEDLO C=C(C)C[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000361984956 134208512 /nfs/dbraw/zinc/20/85/12/134208512.db2.gz MHCKTRFWHAMNKP-HNNXBMFYSA-N 1 2 247.338 2.342 20 30 BEEDLO Cc1cc(NCC2(CC#N)CC2)nc(C(C)C)[nH+]1 ZINC000362357976 134209944 /nfs/dbraw/zinc/20/99/44/134209944.db2.gz HWVAADGYXSWCFS-UHFFFAOYSA-N 1 2 244.342 2.436 20 30 BEEDLO CCC(CC)C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000363111137 134215077 /nfs/dbraw/zinc/21/50/77/134215077.db2.gz PULJUIYGSDFOMM-CQSZACIVSA-N 1 2 235.375 2.095 20 30 BEEDLO CCC(CC)C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000363111137 134215078 /nfs/dbraw/zinc/21/50/78/134215078.db2.gz PULJUIYGSDFOMM-CQSZACIVSA-N 1 2 235.375 2.095 20 30 BEEDLO CC[N@@H+](Cc1cnn2ccccc12)C[C@@H](C)C#N ZINC000179818483 134324407 /nfs/dbraw/zinc/32/44/07/134324407.db2.gz APSNYPZCAOZFOD-LBPRGKRZSA-N 1 2 242.326 2.316 20 30 BEEDLO CC[N@H+](Cc1cnn2ccccc12)C[C@@H](C)C#N ZINC000179818483 134324408 /nfs/dbraw/zinc/32/44/08/134324408.db2.gz APSNYPZCAOZFOD-LBPRGKRZSA-N 1 2 242.326 2.316 20 30 BEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000223127734 134337073 /nfs/dbraw/zinc/33/70/73/134337073.db2.gz OUWQQHFMVGEIAI-GWCFXTLKSA-N 1 2 234.274 2.313 20 30 BEEDLO C=C(Br)C[NH+]1CCC(C#N)CC1 ZINC000061040312 134392177 /nfs/dbraw/zinc/39/21/77/134392177.db2.gz ZUDFMJCHISMISW-UHFFFAOYSA-N 1 2 229.121 2.131 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccnc(Cl)c1 ZINC000063086160 134396016 /nfs/dbraw/zinc/39/60/16/134396016.db2.gz IFYICZSAZJHZQY-VIFPVBQESA-N 1 2 223.707 2.469 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccnc(Cl)c1 ZINC000063086160 134396017 /nfs/dbraw/zinc/39/60/17/134396017.db2.gz IFYICZSAZJHZQY-VIFPVBQESA-N 1 2 223.707 2.469 20 30 BEEDLO N#CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000133844088 134694550 /nfs/dbraw/zinc/69/45/50/134694550.db2.gz UORJHCJTJPSSRV-OLZOCXBDSA-N 1 2 200.285 2.436 20 30 BEEDLO C=C[C@@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301909798 134855218 /nfs/dbraw/zinc/85/52/18/134855218.db2.gz RYWMABBCPIBCCT-MRVPVSSYSA-N 1 2 214.272 2.198 20 30 BEEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)[C@@H](C)CO1 ZINC000248841030 135022376 /nfs/dbraw/zinc/02/23/76/135022376.db2.gz LMCYHJLTBBRYIO-KBPBESRZSA-N 1 2 229.323 2.147 20 30 BEEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)[C@@H](C)CO1 ZINC000248841030 135022378 /nfs/dbraw/zinc/02/23/78/135022378.db2.gz LMCYHJLTBBRYIO-KBPBESRZSA-N 1 2 229.323 2.147 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1cccnc1)C1CC1 ZINC000338350902 135034361 /nfs/dbraw/zinc/03/43/61/135034361.db2.gz KSLABIFOGJRZKS-LLVKDONJSA-N 1 2 215.300 2.206 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000338350902 135034363 /nfs/dbraw/zinc/03/43/63/135034363.db2.gz KSLABIFOGJRZKS-LLVKDONJSA-N 1 2 215.300 2.206 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077381817 135062705 /nfs/dbraw/zinc/06/27/05/135062705.db2.gz VCKTVLGCYQVJIC-LBPRGKRZSA-N 1 2 244.294 2.466 20 30 BEEDLO N#CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077381817 135062707 /nfs/dbraw/zinc/06/27/07/135062707.db2.gz VCKTVLGCYQVJIC-LBPRGKRZSA-N 1 2 244.294 2.466 20 30 BEEDLO Cc1ccc2[nH+]c(CN(C)C[C@H](C)C#N)cn2c1 ZINC000263738595 135128069 /nfs/dbraw/zinc/12/80/69/135128069.db2.gz UDXYNBPRFDRUDE-GFCCVEGCSA-N 1 2 242.326 2.234 20 30 BEEDLO Cc1ccc2[nH+]c(CN(CC#N)C3CC3)cn2c1 ZINC000264284225 135137110 /nfs/dbraw/zinc/13/71/10/135137110.db2.gz POQIJIYSRXTVQB-UHFFFAOYSA-N 1 2 240.310 2.131 20 30 BEEDLO COc1cccc(/C=[NH+]/C2CCC2)c1O ZINC000264334933 135138379 /nfs/dbraw/zinc/13/83/79/135138379.db2.gz BUPVYKXLDGJSRK-MDWZMJQESA-N 1 2 205.257 2.372 20 30 BEEDLO C=CCCCO[NH+]=C(N)COc1ccccc1 ZINC000265857192 135146133 /nfs/dbraw/zinc/14/61/33/135146133.db2.gz REYIVQJBYBOWSI-UHFFFAOYSA-N 1 2 234.299 2.320 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc2c(c1)CCO2 ZINC000267119423 135151587 /nfs/dbraw/zinc/15/15/87/135151587.db2.gz ZSNQPEAEEORWNB-UHFFFAOYSA-N 1 2 230.311 2.357 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc2c(c1)CCO2 ZINC000267119423 135151588 /nfs/dbraw/zinc/15/15/88/135151588.db2.gz ZSNQPEAEEORWNB-UHFFFAOYSA-N 1 2 230.311 2.357 20 30 BEEDLO Cc1ccc(NC(=O)N(C)C[C@H](C)C#N)c(C)[nH+]1 ZINC000268014986 135157709 /nfs/dbraw/zinc/15/77/09/135157709.db2.gz IPASOQMZOUTPBI-SECBINFHSA-N 1 2 246.314 2.322 20 30 BEEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H]2CCOC2)c1 ZINC000298423655 135199120 /nfs/dbraw/zinc/19/91/20/135199120.db2.gz OUPFNSFZTIQYJJ-BTAWCLGRSA-N 1 2 249.310 2.246 20 30 BEEDLO COc1cccc(C[N@H+](C)C[C@H](C)C#N)c1OC ZINC000298660996 135200589 /nfs/dbraw/zinc/20/05/89/135200589.db2.gz DSPCRXVKYMCAMT-LLVKDONJSA-N 1 2 248.326 2.295 20 30 BEEDLO COc1cccc(C[N@@H+](C)C[C@H](C)C#N)c1OC ZINC000298660996 135200591 /nfs/dbraw/zinc/20/05/91/135200591.db2.gz DSPCRXVKYMCAMT-LLVKDONJSA-N 1 2 248.326 2.295 20 30 BEEDLO CC[C@H]([NH2+]CCC#N)c1nc(C)cs1 ZINC000298885396 135200801 /nfs/dbraw/zinc/20/08/01/135200801.db2.gz KPTYVBVHRYSDIB-VIFPVBQESA-N 1 2 209.318 2.406 20 30 BEEDLO COc1cc[nH+]cc1NC(=O)C1(C#N)CCCC1 ZINC000299456766 135204491 /nfs/dbraw/zinc/20/44/91/135204491.db2.gz BGKFJWOICBPTOO-UHFFFAOYSA-N 1 2 245.282 2.113 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000121575642 135224589 /nfs/dbraw/zinc/22/45/89/135224589.db2.gz XAJPURONWWKUQR-UHFFFAOYSA-N 1 2 235.312 2.416 20 30 BEEDLO C=CC[N@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000121575642 135224591 /nfs/dbraw/zinc/22/45/91/135224591.db2.gz XAJPURONWWKUQR-UHFFFAOYSA-N 1 2 235.312 2.416 20 30 BEEDLO Cc1ccc2nc(C[NH2+]CC(C)(C)C#N)cn2c1 ZINC000342770430 135326131 /nfs/dbraw/zinc/32/61/31/135326131.db2.gz XMOPRNYUQMTPDL-UHFFFAOYSA-N 1 2 242.326 2.282 20 30 BEEDLO CO[C@@H](C[N@H+](C)CCC#N)c1ccccc1 ZINC000284330755 135372156 /nfs/dbraw/zinc/37/21/56/135372156.db2.gz IRKYHMNYLAPSDB-ZDUSSCGKSA-N 1 2 218.300 2.220 20 30 BEEDLO CO[C@@H](C[N@@H+](C)CCC#N)c1ccccc1 ZINC000284330755 135372157 /nfs/dbraw/zinc/37/21/57/135372157.db2.gz IRKYHMNYLAPSDB-ZDUSSCGKSA-N 1 2 218.300 2.220 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1ncc(C)s1 ZINC000294954638 135378761 /nfs/dbraw/zinc/37/87/61/135378761.db2.gz DNLPNDATSFMZOS-UHFFFAOYSA-N 1 2 202.710 2.294 20 30 BEEDLO N#C[C@H]1CC[C@@H]([NH2+]C2(C(F)F)CC2)C1 ZINC000307320155 135387099 /nfs/dbraw/zinc/38/70/99/135387099.db2.gz URVXPZNDURPDNI-JGVFFNPUSA-N 1 2 200.232 2.066 20 30 BEEDLO Cc1nc(C[NH+]2CCC(C#N)CC2)c(C)s1 ZINC000335389981 136090620 /nfs/dbraw/zinc/09/06/20/136090620.db2.gz ZWJYKTWOMHFLLX-UHFFFAOYSA-N 1 2 235.356 2.496 20 30 BEEDLO CCc1ncc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000414452563 397947943 /nfs/dbraw/zinc/94/79/43/397947943.db2.gz NICCVCFXHCZHFI-UHFFFAOYSA-N 1 2 232.331 2.021 20 30 BEEDLO CCc1ncc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000414452563 397947948 /nfs/dbraw/zinc/94/79/48/397947948.db2.gz NICCVCFXHCZHFI-UHFFFAOYSA-N 1 2 232.331 2.021 20 30 BEEDLO CC(C)n1cc(C[N@H+](C)C[C@@H](C)C#N)cn1 ZINC000271130776 397962718 /nfs/dbraw/zinc/96/27/18/397962718.db2.gz OINQNVUHCFWWQL-NSHDSACASA-N 1 2 220.320 2.055 20 30 BEEDLO CC(C)n1cc(C[N@@H+](C)C[C@@H](C)C#N)cn1 ZINC000271130776 397962721 /nfs/dbraw/zinc/96/27/21/397962721.db2.gz OINQNVUHCFWWQL-NSHDSACASA-N 1 2 220.320 2.055 20 30 BEEDLO N#CC1(C[NH2+]Cc2cccc(F)c2F)CC1 ZINC000309609072 397922202 /nfs/dbraw/zinc/92/22/02/397922202.db2.gz YVLFKMCIPHHKAD-UHFFFAOYSA-N 1 2 222.238 2.358 20 30 BEEDLO CCc1noc([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595611839 397992244 /nfs/dbraw/zinc/99/22/44/397992244.db2.gz NWJCAQFWLDXPHY-WDEREUQCSA-N 1 2 248.330 2.319 20 30 BEEDLO CCc1noc([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595611839 397992249 /nfs/dbraw/zinc/99/22/49/397992249.db2.gz NWJCAQFWLDXPHY-WDEREUQCSA-N 1 2 248.330 2.319 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(OC(C)C)ccn1 ZINC000649618926 398001501 /nfs/dbraw/zinc/00/15/01/398001501.db2.gz RNTASROTJKIOFE-UHFFFAOYSA-N 1 2 232.327 2.324 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(OC(C)C)ccn1 ZINC000649618926 398001504 /nfs/dbraw/zinc/00/15/04/398001504.db2.gz RNTASROTJKIOFE-UHFFFAOYSA-N 1 2 232.327 2.324 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)N1CC(CC#N)C1 ZINC000596907607 398009865 /nfs/dbraw/zinc/00/98/65/398009865.db2.gz XSTXWUFHWUQVLG-UHFFFAOYSA-N 1 2 244.298 2.076 20 30 BEEDLO CC#CC[N@@H+]1CCCC[C@@H]1c1ncccn1 ZINC001648212225 1172812451 /nfs/dbraw/zinc/81/24/51/1172812451.db2.gz JBBCTGGGVGYFAZ-GFCCVEGCSA-N 1 2 215.300 2.027 20 30 BEEDLO CC#CC[N@H+]1CCCC[C@@H]1c1ncccn1 ZINC001648212225 1172812456 /nfs/dbraw/zinc/81/24/56/1172812456.db2.gz JBBCTGGGVGYFAZ-GFCCVEGCSA-N 1 2 215.300 2.027 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC001651494163 1172953922 /nfs/dbraw/zinc/95/39/22/1172953922.db2.gz DPWLOADHSUYUAC-JTQLQIEISA-N 1 2 232.331 2.166 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000279270622 166110788 /nfs/dbraw/zinc/11/07/88/166110788.db2.gz NJNHTBVUSDLTGB-UHFFFAOYSA-N 1 2 221.304 2.037 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nc(C(C)C)no1 ZINC000279270622 166110790 /nfs/dbraw/zinc/11/07/90/166110790.db2.gz NJNHTBVUSDLTGB-UHFFFAOYSA-N 1 2 221.304 2.037 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000653829997 487594859 /nfs/dbraw/zinc/59/48/59/487594859.db2.gz UQRFCZVGVBHKOT-GFCCVEGCSA-N 1 2 242.322 2.243 20 30 BEEDLO CCC#C[C@@H](C)[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000653829997 487594862 /nfs/dbraw/zinc/59/48/62/487594862.db2.gz UQRFCZVGVBHKOT-GFCCVEGCSA-N 1 2 242.322 2.243 20 30 BEEDLO C#CCCCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375066989 166121431 /nfs/dbraw/zinc/12/14/31/166121431.db2.gz VENFFOUGBRXKED-GFCCVEGCSA-N 1 2 245.326 2.267 20 30 BEEDLO C#CC(C)(C)[N@H+](C)CC(=C)Br ZINC000279338129 166108395 /nfs/dbraw/zinc/10/83/95/166108395.db2.gz UNBOHVHTHCSUCB-UHFFFAOYSA-N 1 2 216.122 2.239 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)CC(=C)Br ZINC000279338129 166108398 /nfs/dbraw/zinc/10/83/98/166108398.db2.gz UNBOHVHTHCSUCB-UHFFFAOYSA-N 1 2 216.122 2.239 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000192232425 166161604 /nfs/dbraw/zinc/16/16/04/166161604.db2.gz ROMKJRIFTJCVME-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000192232425 166161609 /nfs/dbraw/zinc/16/16/09/166161609.db2.gz ROMKJRIFTJCVME-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000192235510 166161642 /nfs/dbraw/zinc/16/16/42/166161642.db2.gz YHAZVSOPSOUAFF-LLVKDONJSA-N 1 2 248.301 2.026 20 30 BEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000192235510 166161645 /nfs/dbraw/zinc/16/16/45/166161645.db2.gz YHAZVSOPSOUAFF-LLVKDONJSA-N 1 2 248.301 2.026 20 30 BEEDLO C#CCN(CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000268033603 166164180 /nfs/dbraw/zinc/16/41/80/166164180.db2.gz PFVIJMBIUBEBDS-UHFFFAOYSA-N 1 2 231.299 2.185 20 30 BEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(C)cc1C ZINC000266951771 166167764 /nfs/dbraw/zinc/16/77/64/166167764.db2.gz UOGXZFAROIAJDP-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(C)cc1C ZINC000266951771 166167766 /nfs/dbraw/zinc/16/77/66/166167766.db2.gz UOGXZFAROIAJDP-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nccn1-c1ccccc1 ZINC000276776453 166169292 /nfs/dbraw/zinc/16/92/92/166169292.db2.gz PWPIXMMKKJJNQG-UHFFFAOYSA-N 1 2 239.322 2.327 20 30 BEEDLO C#CC[N@H+](CC)Cc1nccn1-c1ccccc1 ZINC000276776453 166169295 /nfs/dbraw/zinc/16/92/95/166169295.db2.gz PWPIXMMKKJJNQG-UHFFFAOYSA-N 1 2 239.322 2.327 20 30 BEEDLO C=CCCCN(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000277888121 166234237 /nfs/dbraw/zinc/23/42/37/166234237.db2.gz SRUBXTSPALBOPZ-UHFFFAOYSA-N 1 2 246.358 2.479 20 30 BEEDLO C=CCCCN(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000277888121 166234238 /nfs/dbraw/zinc/23/42/38/166234238.db2.gz SRUBXTSPALBOPZ-UHFFFAOYSA-N 1 2 246.358 2.479 20 30 BEEDLO C=CCCCNc1[nH+]cnc(N)c1Cl ZINC000279426169 166243316 /nfs/dbraw/zinc/24/33/16/166243316.db2.gz KNQSEHHBRFIEHB-UHFFFAOYSA-N 1 2 212.684 2.090 20 30 BEEDLO C=CCCCNc1nc[nH+]c(N)c1Cl ZINC000279426169 166243312 /nfs/dbraw/zinc/24/33/12/166243312.db2.gz KNQSEHHBRFIEHB-UHFFFAOYSA-N 1 2 212.684 2.090 20 30 BEEDLO C=CC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000171932284 166322658 /nfs/dbraw/zinc/32/26/58/166322658.db2.gz GWOHDPOCJCPMTC-AWEZNQCLSA-N 1 2 247.338 2.279 20 30 BEEDLO C=CC[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000171932284 166322659 /nfs/dbraw/zinc/32/26/59/166322659.db2.gz GWOHDPOCJCPMTC-AWEZNQCLSA-N 1 2 247.338 2.279 20 30 BEEDLO C=CC[N@@H+](C)[C@@H](C(=O)OCC)c1ccccc1 ZINC000275147028 166325072 /nfs/dbraw/zinc/32/50/72/166325072.db2.gz FXBXBRSNFNRJAL-CYBMUJFWSA-N 1 2 233.311 2.409 20 30 BEEDLO C=CC[N@H+](C)[C@@H](C(=O)OCC)c1ccccc1 ZINC000275147028 166325074 /nfs/dbraw/zinc/32/50/74/166325074.db2.gz FXBXBRSNFNRJAL-CYBMUJFWSA-N 1 2 233.311 2.409 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(C(C)C)o1)C1CC1 ZINC000271536963 166349936 /nfs/dbraw/zinc/34/99/36/166349936.db2.gz YDVVVTWTNMCNLE-UHFFFAOYSA-N 1 2 221.304 2.343 20 30 BEEDLO C=CC[N@H+](Cc1nnc(C(C)C)o1)C1CC1 ZINC000271536963 166349938 /nfs/dbraw/zinc/34/99/38/166349938.db2.gz YDVVVTWTNMCNLE-UHFFFAOYSA-N 1 2 221.304 2.343 20 30 BEEDLO C=CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178777428 166355461 /nfs/dbraw/zinc/35/54/61/166355461.db2.gz JMULIKBZSSGWGY-UHFFFAOYSA-N 1 2 234.318 2.129 20 30 BEEDLO CC(C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000082533734 167151541 /nfs/dbraw/zinc/15/15/41/167151541.db2.gz JSSRRXGGOIQJJL-UHFFFAOYSA-N 1 2 212.680 2.385 20 30 BEEDLO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cn[nH]c1C ZINC000651452885 411036216 /nfs/dbraw/zinc/03/62/16/411036216.db2.gz YYDGHGNJBFNQGL-BIMULSAOSA-N 1 2 235.331 2.102 20 30 BEEDLO C=CCCc1noc(Cc2ccc(C)[nH+]c2)n1 ZINC000296636305 411197249 /nfs/dbraw/zinc/19/72/49/411197249.db2.gz BSSVWLNUKJZQMF-UHFFFAOYSA-N 1 2 229.283 2.482 20 30 BEEDLO C=C(CC)CNc1nc[nH+]c(C)c1OC ZINC000656198176 411202746 /nfs/dbraw/zinc/20/27/46/411202746.db2.gz JOZKMNWWQXPPQF-UHFFFAOYSA-N 1 2 207.277 2.172 20 30 BEEDLO C=CCCn1cc(CNc2ccc(C)[nH+]c2)nn1 ZINC000656770168 411363390 /nfs/dbraw/zinc/36/33/90/411363390.db2.gz QPDDKDCVZKJMGL-UHFFFAOYSA-N 1 2 243.314 2.170 20 30 BEEDLO C=CCCn1cc(C[N@H+]2CC=C(C)CC2)nn1 ZINC000653590266 411426307 /nfs/dbraw/zinc/42/63/07/411426307.db2.gz WUCCKOVISQTIGH-UHFFFAOYSA-N 1 2 232.331 2.006 20 30 BEEDLO C=CCCn1cc(C[N@@H+]2CC=C(C)CC2)nn1 ZINC000653590266 411426310 /nfs/dbraw/zinc/42/63/10/411426310.db2.gz WUCCKOVISQTIGH-UHFFFAOYSA-N 1 2 232.331 2.006 20 30 BEEDLO Cc1c(C[NH2+][C@@H](C)CC#N)cccc1[N+](=O)[O-] ZINC000231885470 411432509 /nfs/dbraw/zinc/43/25/09/411432509.db2.gz XLBGAYNMYUTPAK-VIFPVBQESA-N 1 2 233.271 2.295 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cc(OC)ns1 ZINC000659839498 411472220 /nfs/dbraw/zinc/47/22/20/411472220.db2.gz WLOAPOBTSDKQQL-UHFFFAOYSA-N 1 2 224.329 2.326 20 30 BEEDLO C=CCC(C)(C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000655108826 411495805 /nfs/dbraw/zinc/49/58/05/411495805.db2.gz BHQBQKOJXVIAMY-UHFFFAOYSA-N 1 2 238.375 2.047 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(C2CC2)no1 ZINC000660643646 411610955 /nfs/dbraw/zinc/61/09/55/411610955.db2.gz BMDNLPRSOYSYSQ-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000660643646 411610957 /nfs/dbraw/zinc/61/09/57/411610957.db2.gz BMDNLPRSOYSYSQ-UHFFFAOYSA-N 1 2 204.273 2.007 20 30 BEEDLO C=CCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000661334526 411751160 /nfs/dbraw/zinc/75/11/60/411751160.db2.gz UAEPQKBKRIUGFD-UHFFFAOYSA-N 1 2 233.315 2.074 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](CCC(=O)c2ccccc2)C1 ZINC000662079993 411979442 /nfs/dbraw/zinc/97/94/42/411979442.db2.gz FLUPHPHODCDCGD-HNNXBMFYSA-N 1 2 242.322 2.495 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](CCC(=O)c2ccccc2)C1 ZINC000662079993 411979447 /nfs/dbraw/zinc/97/94/47/411979447.db2.gz FLUPHPHODCDCGD-HNNXBMFYSA-N 1 2 242.322 2.495 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](CCC(=O)c2ccccc2)C1 ZINC000662079994 411980011 /nfs/dbraw/zinc/98/00/11/411980011.db2.gz FLUPHPHODCDCGD-OAHLLOKOSA-N 1 2 242.322 2.495 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](CCC(=O)c2ccccc2)C1 ZINC000662079994 411980017 /nfs/dbraw/zinc/98/00/17/411980017.db2.gz FLUPHPHODCDCGD-OAHLLOKOSA-N 1 2 242.322 2.495 20 30 BEEDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000336497938 171205247 /nfs/dbraw/zinc/20/52/47/171205247.db2.gz QJQMTGYKZMSRRE-ZDUSSCGKSA-N 1 2 234.299 2.152 20 30 BEEDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(C#N)o1 ZINC000336497938 171205250 /nfs/dbraw/zinc/20/52/50/171205250.db2.gz QJQMTGYKZMSRRE-ZDUSSCGKSA-N 1 2 234.299 2.152 20 30 BEEDLO C[C@@H]1CCOCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000362238446 176189580 /nfs/dbraw/zinc/18/95/80/176189580.db2.gz QOMCYVQPRHWNQZ-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1CCOCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000362238446 176189581 /nfs/dbraw/zinc/18/95/81/176189581.db2.gz QOMCYVQPRHWNQZ-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@@H](C)O1 ZINC000126934596 176303439 /nfs/dbraw/zinc/30/34/39/176303439.db2.gz HKBYAOBDIALSLU-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H]1OCC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC000156024848 177398162 /nfs/dbraw/zinc/39/81/62/177398162.db2.gz DGPDAVVMCOEFLM-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1OCC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC000156024848 177398164 /nfs/dbraw/zinc/39/81/64/177398164.db2.gz DGPDAVVMCOEFLM-GHMZBOCLSA-N 1 2 248.301 2.307 20 30 BEEDLO CSC1(C[N@@H+]2CC[C@](F)(C#N)C2)CCC1 ZINC000589513700 487640628 /nfs/dbraw/zinc/64/06/28/487640628.db2.gz UWARBDNDMPQNDW-JTQLQIEISA-N 1 2 228.336 2.210 20 30 BEEDLO CSC1(C[N@H+]2CC[C@](F)(C#N)C2)CCC1 ZINC000589513700 487640634 /nfs/dbraw/zinc/64/06/34/487640634.db2.gz UWARBDNDMPQNDW-JTQLQIEISA-N 1 2 228.336 2.210 20 30 BEEDLO CO[C@H](C[N@H+](CC#N)C1CCCC1)C1CC1 ZINC000400193077 226335505 /nfs/dbraw/zinc/33/55/05/226335505.db2.gz WHELROBVHXLFFC-CYBMUJFWSA-N 1 2 222.332 2.180 20 30 BEEDLO CO[C@H](C[N@@H+](CC#N)C1CCCC1)C1CC1 ZINC000400193077 226335506 /nfs/dbraw/zinc/33/55/06/226335506.db2.gz WHELROBVHXLFFC-CYBMUJFWSA-N 1 2 222.332 2.180 20 30 BEEDLO C#CCC(C)(C)C(=O)Nc1cc[nH+]cc1C ZINC000274318059 487661114 /nfs/dbraw/zinc/66/11/14/487661114.db2.gz FMTDSEFFWYRYBL-UHFFFAOYSA-N 1 2 216.284 2.378 20 30 BEEDLO Cc1cc(N[C@H]2CCC[C@H]2C)c(C#N)c[nH+]1 ZINC000399457296 267301845 /nfs/dbraw/zinc/30/18/45/267301845.db2.gz OXIUTMWUJBPWOH-SKDRFNHKSA-N 1 2 215.300 2.284 20 30 BEEDLO C=CCCCCO[NH+]=C(N)COC(C)C ZINC000842024556 587989762 /nfs/dbraw/zinc/98/97/62/587989762.db2.gz HCDGDRAEXLXMNF-UHFFFAOYSA-N 1 2 214.309 2.266 20 30 BEEDLO C=C(Cl)C[N@@H+](CC)CC(OCC)OCC ZINC000846970655 588299158 /nfs/dbraw/zinc/29/91/58/588299158.db2.gz SIILOKWNWQBQAA-UHFFFAOYSA-N 1 2 235.755 2.460 20 30 BEEDLO C=C(Cl)C[N@H+](CC)CC(OCC)OCC ZINC000846970655 588299159 /nfs/dbraw/zinc/29/91/59/588299159.db2.gz SIILOKWNWQBQAA-UHFFFAOYSA-N 1 2 235.755 2.460 20 30 BEEDLO Cc1cc(C[NH2+]CCC#N)cnc1Cl ZINC000308714590 631358396 /nfs/dbraw/zinc/35/83/96/631358396.db2.gz APZMDOWEKVMIET-UHFFFAOYSA-N 1 2 209.680 2.047 20 30 BEEDLO N#CCC[NH2+]Cc1cnc(C2CC2)s1 ZINC000308524287 631420969 /nfs/dbraw/zinc/42/09/69/631420969.db2.gz WGSYEMOSJLAIAQ-UHFFFAOYSA-N 1 2 207.302 2.024 20 30 BEEDLO Cc1nc(N[C@H](C)c2cccc(C#N)c2)cc[nH+]1 ZINC000610340264 487952030 /nfs/dbraw/zinc/95/20/30/487952030.db2.gz HAKFQJWMLSOJDH-SNVBAGLBSA-N 1 2 238.294 2.252 20 30 BEEDLO COc1ccc(C[NH2+]CC2(C#N)CC2)c(OC)c1 ZINC000258841170 323004554 /nfs/dbraw/zinc/00/45/54/323004554.db2.gz FCLSJXRFSXXOBM-UHFFFAOYSA-N 1 2 246.310 2.097 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000562353644 323017578 /nfs/dbraw/zinc/01/75/78/323017578.db2.gz VDGRYEPNKOWSCD-LLVKDONJSA-N 1 2 233.315 2.488 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000562353644 323017579 /nfs/dbraw/zinc/01/75/79/323017579.db2.gz VDGRYEPNKOWSCD-LLVKDONJSA-N 1 2 233.315 2.488 20 30 BEEDLO C=CCN(c1nc(N)c2ccccc2[nH+]1)C1CC1 ZINC000570876536 323073199 /nfs/dbraw/zinc/07/31/99/323073199.db2.gz MTCWOCLTYIGEPI-UHFFFAOYSA-N 1 2 240.310 2.197 20 30 BEEDLO C=C(C)C[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000572662443 323081428 /nfs/dbraw/zinc/08/14/28/323081428.db2.gz NBFMFEZETGRCFE-CQSZACIVSA-N 1 2 244.338 2.044 20 30 BEEDLO C=C(C)C[N@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000572662443 323081429 /nfs/dbraw/zinc/08/14/29/323081429.db2.gz NBFMFEZETGRCFE-CQSZACIVSA-N 1 2 244.338 2.044 20 30 BEEDLO Cc1cc(NC(=O)C2(C#N)CCCC2)c(C)c[nH+]1 ZINC000535035240 323164119 /nfs/dbraw/zinc/16/41/19/323164119.db2.gz PXDNZHTWAUZIMG-UHFFFAOYSA-N 1 2 243.310 2.143 20 30 BEEDLO CC(C)[N@H+](CCC#N)Cc1cnn2ccccc12 ZINC000535072581 323165478 /nfs/dbraw/zinc/16/54/78/323165478.db2.gz RGDHYGQMRFNABL-UHFFFAOYSA-N 1 2 242.326 2.458 20 30 BEEDLO CC(C)[N@@H+](CCC#N)Cc1cnn2ccccc12 ZINC000535072581 323165479 /nfs/dbraw/zinc/16/54/79/323165479.db2.gz RGDHYGQMRFNABL-UHFFFAOYSA-N 1 2 242.326 2.458 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000536683681 323200846 /nfs/dbraw/zinc/20/08/46/323200846.db2.gz SQKQFRXJDHCMGQ-JTQLQIEISA-N 1 2 228.299 2.297 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000536683681 323200847 /nfs/dbraw/zinc/20/08/47/323200847.db2.gz SQKQFRXJDHCMGQ-JTQLQIEISA-N 1 2 228.299 2.297 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000536683681 323200848 /nfs/dbraw/zinc/20/08/48/323200848.db2.gz SQKQFRXJDHCMGQ-JTQLQIEISA-N 1 2 228.299 2.297 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000536683681 323200849 /nfs/dbraw/zinc/20/08/49/323200849.db2.gz SQKQFRXJDHCMGQ-JTQLQIEISA-N 1 2 228.299 2.297 20 30 BEEDLO COc1cc(C)ccc1C[NH2+]C[C@H](C)C#N ZINC000564041631 323416664 /nfs/dbraw/zinc/41/66/64/323416664.db2.gz YRJJXBPHNBMUAK-LLVKDONJSA-N 1 2 218.300 2.253 20 30 BEEDLO C[C@H]([NH2+]CCC#N)c1nc2ccccc2[nH]1 ZINC000309602392 323431701 /nfs/dbraw/zinc/43/17/01/323431701.db2.gz XXHWYZMRIMSIPY-VIFPVBQESA-N 1 2 214.272 2.127 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000121456996 324013815 /nfs/dbraw/zinc/01/38/15/324013815.db2.gz MNVLLJFHVXYUEI-UHFFFAOYSA-N 1 2 247.273 2.494 20 30 BEEDLO C=CC[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000121456996 324013818 /nfs/dbraw/zinc/01/38/18/324013818.db2.gz MNVLLJFHVXYUEI-UHFFFAOYSA-N 1 2 247.273 2.494 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000059639240 324015755 /nfs/dbraw/zinc/01/57/55/324015755.db2.gz SWJQTTJZPPWJAB-SNVBAGLBSA-N 1 2 233.271 2.329 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000059639240 324015759 /nfs/dbraw/zinc/01/57/59/324015759.db2.gz SWJQTTJZPPWJAB-SNVBAGLBSA-N 1 2 233.271 2.329 20 30 BEEDLO N#CC1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000061040345 324055592 /nfs/dbraw/zinc/05/55/92/324055592.db2.gz UOPZJCDXAPWOHX-UHFFFAOYSA-N 1 2 240.310 2.070 20 30 BEEDLO CC(C)c1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000541951516 325000944 /nfs/dbraw/zinc/00/09/44/325000944.db2.gz GSUQUICEVBRECR-UHFFFAOYSA-N 1 2 248.330 2.319 20 30 BEEDLO Cc1c[nH+]c(C)nc1N1CCC(C)(C#N)CC1 ZINC000573020882 326425327 /nfs/dbraw/zinc/42/53/27/326425327.db2.gz YKZSWWPVNHJTRE-UHFFFAOYSA-N 1 2 230.315 2.224 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000677133265 487980827 /nfs/dbraw/zinc/98/08/27/487980827.db2.gz PJPSXDJXQVYXLY-CHWSQXEVSA-N 1 2 231.343 2.391 20 30 BEEDLO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000677133265 487980829 /nfs/dbraw/zinc/98/08/29/487980829.db2.gz PJPSXDJXQVYXLY-CHWSQXEVSA-N 1 2 231.343 2.391 20 30 BEEDLO C=CCCC[C@H](C)[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682548639 487986186 /nfs/dbraw/zinc/98/61/86/487986186.db2.gz YUNXYFYELFKBGY-QWRGUYRKSA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCCC[C@H](C)[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682548639 487986192 /nfs/dbraw/zinc/98/61/92/487986192.db2.gz YUNXYFYELFKBGY-QWRGUYRKSA-N 1 2 233.302 2.433 20 30 BEEDLO C[C@@H]1C[C@@H]1C[N@H+](CCC#N)Cc1cccnc1 ZINC000488336572 533716839 /nfs/dbraw/zinc/71/68/39/533716839.db2.gz ZOQKQJXLOJKJER-TZMCWYRMSA-N 1 2 229.327 2.453 20 30 BEEDLO C[C@@H]1C[C@@H]1C[N@@H+](CCC#N)Cc1cccnc1 ZINC000488336572 533716842 /nfs/dbraw/zinc/71/68/42/533716842.db2.gz ZOQKQJXLOJKJER-TZMCWYRMSA-N 1 2 229.327 2.453 20 30 BEEDLO COCC#CC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000677816886 488129913 /nfs/dbraw/zinc/12/99/13/488129913.db2.gz COCSFJKSEJXGDU-UHFFFAOYSA-N 1 2 249.741 2.348 20 30 BEEDLO COCC#CC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000677816886 488129917 /nfs/dbraw/zinc/12/99/17/488129917.db2.gz COCSFJKSEJXGDU-UHFFFAOYSA-N 1 2 249.741 2.348 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ccn(C2CCCC2)n1 ZINC000268739913 487502015 /nfs/dbraw/zinc/50/20/15/487502015.db2.gz ZFDGJPHQXVSRRM-UHFFFAOYSA-N 1 2 231.343 2.453 20 30 BEEDLO C#CC[N@H+](CC)Cc1ccn(C2CCCC2)n1 ZINC000268739913 487502020 /nfs/dbraw/zinc/50/20/20/487502020.db2.gz ZFDGJPHQXVSRRM-UHFFFAOYSA-N 1 2 231.343 2.453 20 30 BEEDLO CCC#C[C@@H](C)[N@H+](C)Cc1nccs1 ZINC000678714649 488276767 /nfs/dbraw/zinc/27/67/67/488276767.db2.gz HNSJHWUKGQZIKH-SNVBAGLBSA-N 1 2 208.330 2.377 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+](C)Cc1nccs1 ZINC000678714649 488276768 /nfs/dbraw/zinc/27/67/68/488276768.db2.gz HNSJHWUKGQZIKH-SNVBAGLBSA-N 1 2 208.330 2.377 20 30 BEEDLO C=C(C)COCCNc1cc(CC)[nH+]cn1 ZINC000131356971 490633434 /nfs/dbraw/zinc/63/34/34/490633434.db2.gz NAGWUBDFYBNNHQ-UHFFFAOYSA-N 1 2 221.304 2.044 20 30 BEEDLO C[C@@H]1C[C@H]1C[N@H+](CCC#N)Cc1cccnc1 ZINC000488336571 534018961 /nfs/dbraw/zinc/01/89/61/534018961.db2.gz ZOQKQJXLOJKJER-OCCSQVGLSA-N 1 2 229.327 2.453 20 30 BEEDLO C[C@@H]1C[C@H]1C[N@@H+](CCC#N)Cc1cccnc1 ZINC000488336571 534018971 /nfs/dbraw/zinc/01/89/71/534018971.db2.gz ZOQKQJXLOJKJER-OCCSQVGLSA-N 1 2 229.327 2.453 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cnn(C2CCC2)c1 ZINC000891716287 582713459 /nfs/dbraw/zinc/71/34/59/582713459.db2.gz NLMUFEPAEWMYII-LLVKDONJSA-N 1 2 232.331 2.200 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cnn(C2CCC2)c1 ZINC000891716287 582713463 /nfs/dbraw/zinc/71/34/63/582713463.db2.gz NLMUFEPAEWMYII-LLVKDONJSA-N 1 2 232.331 2.200 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000373795924 534443016 /nfs/dbraw/zinc/44/30/16/534443016.db2.gz GUXMJNNRNKOLHL-NWDGAFQWSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000373795924 534443025 /nfs/dbraw/zinc/44/30/25/534443025.db2.gz GUXMJNNRNKOLHL-NWDGAFQWSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000366375648 534443123 /nfs/dbraw/zinc/44/31/23/534443123.db2.gz KVSVWKWLJVHONY-KOLCDFICSA-N 1 2 215.724 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000366375648 534443128 /nfs/dbraw/zinc/44/31/28/534443128.db2.gz KVSVWKWLJVHONY-KOLCDFICSA-N 1 2 215.724 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000366375650 534443348 /nfs/dbraw/zinc/44/33/48/534443348.db2.gz KVSVWKWLJVHONY-ONGXEEELSA-N 1 2 215.724 2.238 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000366375650 534443354 /nfs/dbraw/zinc/44/33/54/534443354.db2.gz KVSVWKWLJVHONY-ONGXEEELSA-N 1 2 215.724 2.238 20 30 BEEDLO C=CCn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000303098110 534451536 /nfs/dbraw/zinc/45/15/36/534451536.db2.gz WNBMAZRMHLVRHP-SNVBAGLBSA-N 1 2 231.299 2.015 20 30 BEEDLO C=C1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000334170844 534464798 /nfs/dbraw/zinc/46/47/98/534464798.db2.gz AZGLDTBYEDVHQD-UHFFFAOYSA-N 1 2 248.301 2.416 20 30 BEEDLO C=C[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119321908 534493699 /nfs/dbraw/zinc/49/36/99/534493699.db2.gz ZEMVFYZGZQIXDH-MRVPVSSYSA-N 1 2 205.261 2.086 20 30 BEEDLO C=C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000362613764 534499408 /nfs/dbraw/zinc/49/94/08/534499408.db2.gz LUBXQURJJKTISE-LLVKDONJSA-N 1 2 241.294 2.177 20 30 BEEDLO C=CCCC1(C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000353675535 534629539 /nfs/dbraw/zinc/62/95/39/534629539.db2.gz LXIOIFOHDDQXMJ-UHFFFAOYSA-N 1 2 247.342 2.125 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(C)s1 ZINC000336600495 534697494 /nfs/dbraw/zinc/69/74/94/534697494.db2.gz DSGKUINNVDHXLF-JTQLQIEISA-N 1 2 223.345 2.387 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(C)s1 ZINC000336600495 534697500 /nfs/dbraw/zinc/69/75/00/534697500.db2.gz DSGKUINNVDHXLF-JTQLQIEISA-N 1 2 223.345 2.387 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1cn(C(C)C)nn1 ZINC000348351061 534697664 /nfs/dbraw/zinc/69/76/64/534697664.db2.gz CWDYAGGGVLVVLV-ZDUSSCGKSA-N 1 2 234.347 2.400 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cn(C(C)C)nn1 ZINC000348351061 534697670 /nfs/dbraw/zinc/69/76/70/534697670.db2.gz CWDYAGGGVLVVLV-ZDUSSCGKSA-N 1 2 234.347 2.400 20 30 BEEDLO C=CCCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000336750910 534757643 /nfs/dbraw/zinc/75/76/43/534757643.db2.gz GASBSQJNYQZMPU-JTQLQIEISA-N 1 2 205.305 2.364 20 30 BEEDLO C=CCOCC[N@@H+](CCC)CC(F)F ZINC000338953908 534876400 /nfs/dbraw/zinc/87/64/00/534876400.db2.gz WCMHDMWQAKVFKS-UHFFFAOYSA-N 1 2 207.264 2.166 20 30 BEEDLO C=CCOCC[N@H+](CCC)CC(F)F ZINC000338953908 534876402 /nfs/dbraw/zinc/87/64/02/534876402.db2.gz WCMHDMWQAKVFKS-UHFFFAOYSA-N 1 2 207.264 2.166 20 30 BEEDLO C=CC[C@@H](CC)Nc1[nH+]cnc2c1cnn2C ZINC000280959227 534888631 /nfs/dbraw/zinc/88/86/31/534888631.db2.gz IEKATORQDAPAAD-SECBINFHSA-N 1 2 231.303 2.130 20 30 BEEDLO CC(C)(C)c1ncc(C[NH2+]CCC#N)s1 ZINC000059180706 534915047 /nfs/dbraw/zinc/91/50/47/534915047.db2.gz PIGAWADRBBLUBQ-UHFFFAOYSA-N 1 2 223.345 2.444 20 30 BEEDLO C#CCN(Cc1ccccc1)c1cc[nH+]c(C)n1 ZINC000491304210 526911981 /nfs/dbraw/zinc/91/19/81/526911981.db2.gz FACXFHDBYYDTIA-UHFFFAOYSA-N 1 2 237.306 2.425 20 30 BEEDLO C=CC(C)(C)CNC(=O)/C=C\c1[nH+]ccn1CC ZINC000493859227 526951324 /nfs/dbraw/zinc/95/13/24/526951324.db2.gz SWILWAIMORFUKY-FPLPWBNLSA-N 1 2 247.342 2.245 20 30 BEEDLO C=CCCCCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492592470 527139241 /nfs/dbraw/zinc/13/92/41/527139241.db2.gz IEMRIEYYCBFWOP-HJWRWDBZSA-N 1 2 247.342 2.389 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000491670126 527213272 /nfs/dbraw/zinc/21/32/72/527213272.db2.gz DBOPMVIGRRFZDR-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000491670126 527213275 /nfs/dbraw/zinc/21/32/75/527213275.db2.gz DBOPMVIGRRFZDR-CYBMUJFWSA-N 1 2 244.338 2.195 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861958 527251153 /nfs/dbraw/zinc/25/11/53/527251153.db2.gz KGADLZQRXOASNG-WSKFYRRCSA-N 1 2 233.315 2.284 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492861957 527275757 /nfs/dbraw/zinc/27/57/57/527275757.db2.gz KGADLZQRXOASNG-TVRMLOFPSA-N 1 2 233.315 2.284 20 30 BEEDLO C#Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492772910 527442474 /nfs/dbraw/zinc/44/24/74/527442474.db2.gz ITIZEYJWSZCSSG-SREVYHEPSA-N 1 2 237.262 2.043 20 30 BEEDLO C=CC[N@@H+](C)CC(=O)c1c[nH]c2ccccc21 ZINC000494703285 527571959 /nfs/dbraw/zinc/57/19/59/527571959.db2.gz NYQXKDJCMZYQMB-UHFFFAOYSA-N 1 2 228.295 2.468 20 30 BEEDLO C=CC[N@H+](C)CC(=O)c1c[nH]c2ccccc21 ZINC000494703285 527571964 /nfs/dbraw/zinc/57/19/64/527571964.db2.gz NYQXKDJCMZYQMB-UHFFFAOYSA-N 1 2 228.295 2.468 20 30 BEEDLO CCC[C@@H](C)C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000378442937 535326904 /nfs/dbraw/zinc/32/69/04/535326904.db2.gz LQTKHWJPBBGJTD-OCCSQVGLSA-N 1 2 235.375 2.095 20 30 BEEDLO CCC[C@@H](C)C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000378442937 535326906 /nfs/dbraw/zinc/32/69/06/535326906.db2.gz LQTKHWJPBBGJTD-OCCSQVGLSA-N 1 2 235.375 2.095 20 30 BEEDLO CCCn1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000354035519 535608031 /nfs/dbraw/zinc/60/80/31/535608031.db2.gz YTVIZSAWNXFGAO-GFCCVEGCSA-N 1 2 246.358 2.417 20 30 BEEDLO CCCn1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000354035519 535608037 /nfs/dbraw/zinc/60/80/37/535608037.db2.gz YTVIZSAWNXFGAO-GFCCVEGCSA-N 1 2 246.358 2.417 20 30 BEEDLO C[N@H+](CCC#N)Cc1cccc2nsnc21 ZINC000269039521 536300043 /nfs/dbraw/zinc/30/00/43/536300043.db2.gz UVKFKKGVHJOGPD-UHFFFAOYSA-N 1 2 232.312 2.037 20 30 BEEDLO C[N@@H+](CCC#N)Cc1cccc2nsnc21 ZINC000269039521 536300044 /nfs/dbraw/zinc/30/00/44/536300044.db2.gz UVKFKKGVHJOGPD-UHFFFAOYSA-N 1 2 232.312 2.037 20 30 BEEDLO CO[C@H](C[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000284245717 536555274 /nfs/dbraw/zinc/55/52/74/536555274.db2.gz CJXSSWAFRBBCFO-TZMCWYRMSA-N 1 2 232.327 2.466 20 30 BEEDLO CO[C@H](C[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000284245717 536555280 /nfs/dbraw/zinc/55/52/80/536555280.db2.gz CJXSSWAFRBBCFO-TZMCWYRMSA-N 1 2 232.327 2.466 20 30 BEEDLO COc1cc[nH+]cc1NC(=O)C1=CCOCC1 ZINC000330827832 537120926 /nfs/dbraw/zinc/12/09/26/537120926.db2.gz SPQZYWMHQSKCRV-UHFFFAOYSA-N 1 2 234.255 2.025 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(C)cnc1Cl ZINC000894060168 583291769 /nfs/dbraw/zinc/29/17/69/583291769.db2.gz PLKHSCCEABGCGD-JTQLQIEISA-N 1 2 222.719 2.497 20 30 BEEDLO Cc1ccc(N=NCc2[nH+]ccn2C(C)C)nn1 ZINC000853304333 588731630 /nfs/dbraw/zinc/73/16/30/588731630.db2.gz JSOCCWAZJRYIQE-UHFFFAOYSA-N 1 2 244.302 2.008 20 30 BEEDLO Cc1[nH+]cc(C=NNCC2(C)CCCC2)n1C ZINC000853348132 588736406 /nfs/dbraw/zinc/73/64/06/588736406.db2.gz AODMOJXLQPVTEV-UHFFFAOYSA-N 1 2 234.347 2.232 20 30 BEEDLO CC[C@H](C)CON=Cc1c[nH+]c2n1CCC2 ZINC000853349635 588736675 /nfs/dbraw/zinc/73/66/75/588736675.db2.gz CYDNPCGEJFZDOF-JTQLQIEISA-N 1 2 221.304 2.226 20 30 BEEDLO Cc1[nH+]cc(C=NN[C@@H](C)C(C)(C)C)n1C ZINC000853349502 588736739 /nfs/dbraw/zinc/73/67/39/588736739.db2.gz ACPWCYPRAJWKOL-VIFPVBQESA-N 1 2 222.336 2.087 20 30 BEEDLO CC[C@@H](C)CON=Cc1c[nH+]c(C)n1C ZINC000853349843 588736883 /nfs/dbraw/zinc/73/68/83/588736883.db2.gz JSHOOHRHQXZBQA-SECBINFHSA-N 1 2 209.293 2.125 20 30 BEEDLO COc1cc[nH+]cc1CON=CC1CC1 ZINC000853735866 588760459 /nfs/dbraw/zinc/76/04/59/588760459.db2.gz CIJQNFQVUJJIGB-UHFFFAOYSA-N 1 2 206.245 2.003 20 30 BEEDLO C=CC[C@H]1CCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000890551231 582471117 /nfs/dbraw/zinc/47/11/17/582471117.db2.gz YNFBONMNWDZHNP-NEPJUHHUSA-N 1 2 233.315 2.011 20 30 BEEDLO C=CCCCN(CC)C(=O)CNc1cccc[nH+]1 ZINC000890808917 582571402 /nfs/dbraw/zinc/57/14/02/582571402.db2.gz HKXZSGAKIGRHBL-UHFFFAOYSA-N 1 2 247.342 2.308 20 30 BEEDLO C=CCCCN(CC)C(=O)CCCn1cc[nH+]c1 ZINC000890813499 582574539 /nfs/dbraw/zinc/57/45/39/582574539.db2.gz JZYYKSBZQMIGLQ-UHFFFAOYSA-N 1 2 249.358 2.478 20 30 BEEDLO CC[C@@H]1CCC1N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000807979171 582616659 /nfs/dbraw/zinc/61/66/59/582616659.db2.gz NHZHYIBKWMTBQX-YUSALJHKSA-N 1 2 234.347 2.022 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2csc(C#N)c2)CCO1 ZINC000891561358 582697448 /nfs/dbraw/zinc/69/74/48/582697448.db2.gz AGIOEWXILWRSQW-NSHDSACASA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2csc(C#N)c2)CCO1 ZINC000891561358 582697449 /nfs/dbraw/zinc/69/74/49/582697449.db2.gz AGIOEWXILWRSQW-NSHDSACASA-N 1 2 236.340 2.231 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc2[nH]c(=O)oc21 ZINC000891716310 582713638 /nfs/dbraw/zinc/71/36/38/582713638.db2.gz NYKMEMAFUHZJFP-SECBINFHSA-N 1 2 245.282 2.125 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc2[nH]c(=O)oc21 ZINC000891716310 582713639 /nfs/dbraw/zinc/71/36/39/582713639.db2.gz NYKMEMAFUHZJFP-SECBINFHSA-N 1 2 245.282 2.125 20 30 BEEDLO CC(C)CCCC[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000892039115 582770215 /nfs/dbraw/zinc/77/02/15/582770215.db2.gz MABIEQBMKGTSIA-HNNXBMFYSA-N 1 2 249.402 2.485 20 30 BEEDLO CC(C)CCCC[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000892039115 582770217 /nfs/dbraw/zinc/77/02/17/582770217.db2.gz MABIEQBMKGTSIA-HNNXBMFYSA-N 1 2 249.402 2.485 20 30 BEEDLO C[C@H]1CCC(=NNCCCn2cc[nH+]c2)C1 ZINC000848417222 582774248 /nfs/dbraw/zinc/77/42/48/582774248.db2.gz PXEXBYREQFTXNV-NSHDSACASA-N 1 2 220.320 2.039 20 30 BEEDLO N#Cc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)cs1 ZINC000892110058 582793528 /nfs/dbraw/zinc/79/35/28/582793528.db2.gz IXNHQYQAFBKQEO-ZDUSSCGKSA-N 1 2 248.351 2.231 20 30 BEEDLO N#Cc1cc(C[N@H+]2CCOC[C@H]2C2CC2)cs1 ZINC000892110058 582793531 /nfs/dbraw/zinc/79/35/31/582793531.db2.gz IXNHQYQAFBKQEO-ZDUSSCGKSA-N 1 2 248.351 2.231 20 30 BEEDLO C#CCCCNc1cc(CC)[nH+]c(CC)n1 ZINC000892704292 582961351 /nfs/dbraw/zinc/96/13/51/582961351.db2.gz QCCGJRIGQYIXFW-UHFFFAOYSA-N 1 2 217.316 2.427 20 30 BEEDLO COc1ccc2[nH+]ccc(NC[C@@H](C)C#N)c2c1 ZINC000892726687 582970392 /nfs/dbraw/zinc/97/03/92/582970392.db2.gz AUKIJLPWMPVHNH-JTQLQIEISA-N 1 2 241.294 2.237 20 30 BEEDLO C[C@@H](NN=Cc1c[nH+]c2n1CCC2)C(C)(C)C ZINC000853348393 583038611 /nfs/dbraw/zinc/03/86/11/583038611.db2.gz GYHNWJANRQUSDN-SNVBAGLBSA-N 1 2 234.347 2.187 20 30 BEEDLO C[C@@H](O)c1cccc(N2CCC(C)(C#N)CC2)[nH+]1 ZINC000893111359 583051149 /nfs/dbraw/zinc/05/11/49/583051149.db2.gz QZEIWDGHAMDVOY-LLVKDONJSA-N 1 2 245.326 2.265 20 30 BEEDLO C=CCN(CCOC)c1cc(CC)[nH+]c(CC)n1 ZINC000893458651 583146675 /nfs/dbraw/zinc/14/66/75/583146675.db2.gz ONEZZGWCBXCXLD-UHFFFAOYSA-N 1 2 249.358 2.240 20 30 BEEDLO CCOc1ccc(C[NH2+]CC(C)(C)C#N)o1 ZINC000893552099 583162657 /nfs/dbraw/zinc/16/26/57/583162657.db2.gz POPUXLRRVKOPAE-UHFFFAOYSA-N 1 2 222.288 2.318 20 30 BEEDLO Cc1nn(C)c(C[NH2+]CC(C)(C)C#N)c1Cl ZINC000893551459 583163011 /nfs/dbraw/zinc/16/30/11/583163011.db2.gz MYUHUYMBZVTWGW-UHFFFAOYSA-N 1 2 240.738 2.021 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1c(Cl)c(C)nn1C ZINC000893607568 583172562 /nfs/dbraw/zinc/17/25/62/583172562.db2.gz XYZFJQJUONEXRC-SECBINFHSA-N 1 2 240.738 2.164 20 30 BEEDLO C=C1CC[NH+](Cc2cn(C)nc2Cl)CC1 ZINC000857017613 588882089 /nfs/dbraw/zinc/88/20/89/588882089.db2.gz QHCQKDHCMAVSDE-UHFFFAOYSA-N 1 2 225.723 2.226 20 30 BEEDLO Cc1ncoc1C[N@@H+](CCC#N)CC(C)C ZINC000893883220 583241092 /nfs/dbraw/zinc/24/10/92/583241092.db2.gz WMYYNDFIZUVCIX-UHFFFAOYSA-N 1 2 221.304 2.355 20 30 BEEDLO Cc1ncoc1C[N@H+](CCC#N)CC(C)C ZINC000893883220 583241093 /nfs/dbraw/zinc/24/10/93/583241093.db2.gz WMYYNDFIZUVCIX-UHFFFAOYSA-N 1 2 221.304 2.355 20 30 BEEDLO CCN(CCC#N)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000893922439 583248371 /nfs/dbraw/zinc/24/83/71/583248371.db2.gz DQSQTTSTFOHDRW-UHFFFAOYSA-N 1 2 220.320 2.269 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893925055 583249687 /nfs/dbraw/zinc/24/96/87/583249687.db2.gz UQPFLOJPSUDUDG-UHFFFAOYSA-N 1 2 244.298 2.004 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893925055 583249688 /nfs/dbraw/zinc/24/96/88/583249688.db2.gz UQPFLOJPSUDUDG-UHFFFAOYSA-N 1 2 244.298 2.004 20 30 BEEDLO Cc1noc([C@@H](C)[NH2+]Cc2csc(C#N)c2)n1 ZINC000893973728 583265287 /nfs/dbraw/zinc/26/52/87/583265287.db2.gz QNKPMBMNKQRVKE-SSDOTTSWSA-N 1 2 248.311 2.162 20 30 BEEDLO CC(C)c1c[nH]c(CN(C)C[C@@H](C)C#N)[nH+]1 ZINC000893995894 583268298 /nfs/dbraw/zinc/26/82/98/583268298.db2.gz VLBOGTLBKFIQGS-JTQLQIEISA-N 1 2 220.320 2.125 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2oc(=O)oc2c1 ZINC000894002104 583272053 /nfs/dbraw/zinc/27/20/53/583272053.db2.gz MXLBCPCGIXYGLW-VIFPVBQESA-N 1 2 246.266 2.120 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2oc(=O)oc2c1 ZINC000894002104 583272055 /nfs/dbraw/zinc/27/20/55/583272055.db2.gz MXLBCPCGIXYGLW-VIFPVBQESA-N 1 2 246.266 2.120 20 30 BEEDLO Cc1cc[nH+]c(N)c1CN(CCC#N)CC1CC1 ZINC000894004131 583272596 /nfs/dbraw/zinc/27/25/96/583272596.db2.gz YKSRGRHLESZQAB-UHFFFAOYSA-N 1 2 244.342 2.098 20 30 BEEDLO Cc1ccnc(N)c1C[N@H+](CCC#N)CC1CC1 ZINC000894004131 583272597 /nfs/dbraw/zinc/27/25/97/583272597.db2.gz YKSRGRHLESZQAB-UHFFFAOYSA-N 1 2 244.342 2.098 20 30 BEEDLO Cc1ccnc(N)c1C[N@@H+](CCC#N)CC1CC1 ZINC000894004131 583272599 /nfs/dbraw/zinc/27/25/99/583272599.db2.gz YKSRGRHLESZQAB-UHFFFAOYSA-N 1 2 244.342 2.098 20 30 BEEDLO Cc1n[nH]c(C[N@H+](CCC#N)CC2CC2)c1C ZINC000894003006 583272917 /nfs/dbraw/zinc/27/29/17/583272917.db2.gz BVGHVDJPZUIZDU-UHFFFAOYSA-N 1 2 232.331 2.152 20 30 BEEDLO Cc1n[nH]c(C[N@@H+](CCC#N)CC2CC2)c1C ZINC000894003006 583272920 /nfs/dbraw/zinc/27/29/20/583272920.db2.gz BVGHVDJPZUIZDU-UHFFFAOYSA-N 1 2 232.331 2.152 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cc(C)cnc1Cl ZINC000894060168 583291767 /nfs/dbraw/zinc/29/17/67/583291767.db2.gz PLKHSCCEABGCGD-JTQLQIEISA-N 1 2 222.719 2.497 20 30 BEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cccc([C@@H](C)O)[nH+]1 ZINC000894079966 583298245 /nfs/dbraw/zinc/29/82/45/583298245.db2.gz UFXFOPGKPZRVNI-RTXFEEFZSA-N 1 2 248.326 2.280 20 30 BEEDLO C=CCC[C@H](CO)Nc1cc(CC)[nH+]c(CC)n1 ZINC000894112448 583309030 /nfs/dbraw/zinc/30/90/30/583309030.db2.gz GSKCTRAVTBELCJ-GFCCVEGCSA-N 1 2 249.358 2.340 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]\CC[C@H](C)OC ZINC000726429233 583353101 /nfs/dbraw/zinc/35/31/01/583353101.db2.gz LSXOUNHZMMQLFO-ADVUTCEVSA-N 1 2 237.299 2.245 20 30 BEEDLO Cc1nc(C)c(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)o1 ZINC000879311071 583422998 /nfs/dbraw/zinc/42/29/98/583422998.db2.gz NMRBZOHOADBNGH-VXGBXAGGSA-N 1 2 233.315 2.416 20 30 BEEDLO Cc1nc(C)c(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)o1 ZINC000879311071 583423000 /nfs/dbraw/zinc/42/30/00/583423000.db2.gz NMRBZOHOADBNGH-VXGBXAGGSA-N 1 2 233.315 2.416 20 30 BEEDLO N#CC1(C[NH2+]CC#Cc2ccccc2)CCC1 ZINC000894967163 583559737 /nfs/dbraw/zinc/55/97/37/583559737.db2.gz QGQSYTQOJSOARQ-UHFFFAOYSA-N 1 2 224.307 2.322 20 30 BEEDLO CCOc1ccc(C[NH2+]CC2(C#N)CCC2)o1 ZINC000894968095 583560666 /nfs/dbraw/zinc/56/06/66/583560666.db2.gz YVQLCYKFBMDGAN-UHFFFAOYSA-N 1 2 234.299 2.462 20 30 BEEDLO N#CCSCCC[N@@H+]1Cc2ccncc2C1 ZINC000857875847 588913514 /nfs/dbraw/zinc/91/35/14/588913514.db2.gz DSRWEDPCCFIURV-UHFFFAOYSA-N 1 2 233.340 2.044 20 30 BEEDLO N#CCSCCC[N@H+]1Cc2ccncc2C1 ZINC000857875847 588913516 /nfs/dbraw/zinc/91/35/16/588913516.db2.gz DSRWEDPCCFIURV-UHFFFAOYSA-N 1 2 233.340 2.044 20 30 BEEDLO C#CC[N@@H+](CC)Cc1noc2c1CCCC2 ZINC000749155570 583582143 /nfs/dbraw/zinc/58/21/43/583582143.db2.gz VMQVIHHZGWCZQT-UHFFFAOYSA-N 1 2 218.300 2.009 20 30 BEEDLO C#CC[N@H+](CC)Cc1noc2c1CCCC2 ZINC000749155570 583582144 /nfs/dbraw/zinc/58/21/44/583582144.db2.gz VMQVIHHZGWCZQT-UHFFFAOYSA-N 1 2 218.300 2.009 20 30 BEEDLO C=CC(C)(C)NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000895213856 583628409 /nfs/dbraw/zinc/62/84/09/583628409.db2.gz FARCBURELZOBKT-NXEZZACHSA-N 1 2 248.330 2.153 20 30 BEEDLO COCC[N@H+](CCF)Cc1csc(C#N)c1 ZINC000895356580 583658743 /nfs/dbraw/zinc/65/87/43/583658743.db2.gz YTZLATCYFPMXAD-UHFFFAOYSA-N 1 2 242.319 2.038 20 30 BEEDLO COCC[N@@H+](CCF)Cc1csc(C#N)c1 ZINC000895356580 583658746 /nfs/dbraw/zinc/65/87/46/583658746.db2.gz YTZLATCYFPMXAD-UHFFFAOYSA-N 1 2 242.319 2.038 20 30 BEEDLO CC(C)(C#N)CC[N@@H+]1Cc2ccncc2C1 ZINC000857878921 588919689 /nfs/dbraw/zinc/91/96/89/588919689.db2.gz OTPSIUHJUWEYRJ-UHFFFAOYSA-N 1 2 215.300 2.337 20 30 BEEDLO CC(C)(C#N)CC[N@H+]1Cc2ccncc2C1 ZINC000857878921 588919690 /nfs/dbraw/zinc/91/96/90/588919690.db2.gz OTPSIUHJUWEYRJ-UHFFFAOYSA-N 1 2 215.300 2.337 20 30 BEEDLO C[C@@H](CCC#N)C[N@@H+]1CC[C@H]1C(F)F ZINC000895433160 583672003 /nfs/dbraw/zinc/67/20/03/583672003.db2.gz UEGVWIMDYFCMRK-IUCAKERBSA-N 1 2 202.248 2.266 20 30 BEEDLO C[C@@H](CCC#N)C[N@H+]1CC[C@H]1C(F)F ZINC000895433160 583672004 /nfs/dbraw/zinc/67/20/04/583672004.db2.gz UEGVWIMDYFCMRK-IUCAKERBSA-N 1 2 202.248 2.266 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccnn2C2CCC2)C1 ZINC000895450723 583676717 /nfs/dbraw/zinc/67/67/17/583676717.db2.gz MBQNIVSRTUUNIG-CQSZACIVSA-N 1 2 244.342 2.344 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccnn2C2CCC2)C1 ZINC000895450723 583676719 /nfs/dbraw/zinc/67/67/19/583676719.db2.gz MBQNIVSRTUUNIG-CQSZACIVSA-N 1 2 244.342 2.344 20 30 BEEDLO CC(C)OC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000895952844 583751771 /nfs/dbraw/zinc/75/17/71/583751771.db2.gz QHHNONSGOZGDQD-UHFFFAOYSA-N 1 2 230.311 2.167 20 30 BEEDLO C#CC1([NH2+]Cc2nnc(C3CC3)s2)CCCC1 ZINC000896027472 583764956 /nfs/dbraw/zinc/76/49/56/583764956.db2.gz YDVXFATXHQCBPF-UHFFFAOYSA-N 1 2 247.367 2.451 20 30 BEEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982687 588927785 /nfs/dbraw/zinc/92/77/85/588927785.db2.gz LMTBTJBXVQEAHG-GFCCVEGCSA-N 1 2 245.326 2.213 20 30 BEEDLO Cc1coc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896500831 583807117 /nfs/dbraw/zinc/80/71/17/583807117.db2.gz LACSWLYCBFCROY-NSHDSACASA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1coc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896500831 583807118 /nfs/dbraw/zinc/80/71/18/583807118.db2.gz LACSWLYCBFCROY-NSHDSACASA-N 1 2 204.273 2.324 20 30 BEEDLO C[C@H](F)CC/[NH+]=C/c1cccc(O)c1O ZINC000840707604 583849256 /nfs/dbraw/zinc/84/92/56/583849256.db2.gz WVZCKUMPMWLHLV-MTDSNMTDSA-N 1 2 211.236 2.265 20 30 BEEDLO COCC[C@H](C)C/[NH+]=C/c1cccc(O)c1O ZINC000840711049 583877397 /nfs/dbraw/zinc/87/73/97/583877397.db2.gz OIHMIIRXASEANR-RSYJBZMQSA-N 1 2 237.299 2.189 20 30 BEEDLO CC#CC[N@H+](C)Cc1cnc(C2CC2)s1 ZINC000897167394 583887595 /nfs/dbraw/zinc/88/75/95/583887595.db2.gz JVHQWDPXZZKMFY-UHFFFAOYSA-N 1 2 220.341 2.476 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000897167394 583887596 /nfs/dbraw/zinc/88/75/96/583887596.db2.gz JVHQWDPXZZKMFY-UHFFFAOYSA-N 1 2 220.341 2.476 20 30 BEEDLO C#CCCCCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000218083318 583943971 /nfs/dbraw/zinc/94/39/71/583943971.db2.gz WAUNKZCYOXZDGB-NSHDSACASA-N 1 2 233.315 2.171 20 30 BEEDLO CC(C)C1(C[N@@H+]2CCO[C@@](C)(C#N)C2)CC1 ZINC000897588614 584023090 /nfs/dbraw/zinc/02/30/90/584023090.db2.gz IDQYJILXSZBLQN-LBPRGKRZSA-N 1 2 222.332 2.037 20 30 BEEDLO CC(C)C1(C[N@H+]2CCO[C@@](C)(C#N)C2)CC1 ZINC000897588614 584023092 /nfs/dbraw/zinc/02/30/92/584023092.db2.gz IDQYJILXSZBLQN-LBPRGKRZSA-N 1 2 222.332 2.037 20 30 BEEDLO Cc1c[nH]c(CN(C)Cc2cc(C#N)cs2)[nH+]1 ZINC000897624793 584032484 /nfs/dbraw/zinc/03/24/84/584032484.db2.gz YANZWGMVWBYEBE-UHFFFAOYSA-N 1 2 246.339 2.283 20 30 BEEDLO CCC[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(=O)OC ZINC000897835502 584053516 /nfs/dbraw/zinc/05/35/16/584053516.db2.gz KQUSMZAXLTUFCC-SDDRHHMPSA-N 1 2 238.331 2.000 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898906391 584165331 /nfs/dbraw/zinc/16/53/31/584165331.db2.gz MYQXFBHYGWIFKL-AWEZNQCLSA-N 1 2 249.358 2.337 20 30 BEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccnn1C1CCC1 ZINC000899396860 584209782 /nfs/dbraw/zinc/20/97/82/584209782.db2.gz IQTULYRGRJWMNY-SNAWJCMRSA-N 1 2 242.282 2.227 20 30 BEEDLO C=CC[C@@H](C)NC(=O)c1ccc(C)[nH+]c1NC ZINC000900742233 584348062 /nfs/dbraw/zinc/34/80/62/584348062.db2.gz OAVINMQSGNEIPV-SECBINFHSA-N 1 2 233.315 2.126 20 30 BEEDLO C#CC[C@H](CCOC)Nc1cc[nH+]c(C(C)C)n1 ZINC000858856636 588979181 /nfs/dbraw/zinc/97/91/81/588979181.db2.gz GMJBPGKUTDSKNW-GFCCVEGCSA-N 1 2 247.342 2.440 20 30 BEEDLO C=C[C@@H]([NH2+]CC[C@H]1CCC(F)(F)C1)C(=O)OC ZINC000901674050 584475502 /nfs/dbraw/zinc/47/55/02/584475502.db2.gz QMVMGEDMTLAYSO-NXEZZACHSA-N 1 2 247.285 2.129 20 30 BEEDLO CC(C)n1cc[nH+]c1CNc1cc(C#N)ccn1 ZINC000902108626 584523955 /nfs/dbraw/zinc/52/39/55/584523955.db2.gz GHJGHMTWKKOYQW-UHFFFAOYSA-N 1 2 241.298 2.343 20 30 BEEDLO Cn1cc[nH+]c1CNc1ccc(CCC#N)cc1 ZINC000902227521 584541454 /nfs/dbraw/zinc/54/14/54/584541454.db2.gz RZMSMNYVTVIPIN-UHFFFAOYSA-N 1 2 240.310 2.488 20 30 BEEDLO CC#CCCO[NH+]=C(N)Cc1ccccc1F ZINC000902622168 584645390 /nfs/dbraw/zinc/64/53/90/584645390.db2.gz AKOZHUHAIRCTLV-UHFFFAOYSA-N 1 2 234.274 2.280 20 30 BEEDLO CCCn1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)nn1 ZINC000903035431 584719133 /nfs/dbraw/zinc/71/91/33/584719133.db2.gz PFRMSCBDHWCVGH-LLVKDONJSA-N 1 2 247.346 2.033 20 30 BEEDLO Cc1cc([C@@H](C)[NH2+]CC(C)(C)C#N)no1 ZINC000903101328 584727057 /nfs/dbraw/zinc/72/70/57/584727057.db2.gz DVDBAEUHIXQNAG-SECBINFHSA-N 1 2 207.277 2.183 20 30 BEEDLO CCC[C@@H](C#N)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000904060675 584839258 /nfs/dbraw/zinc/83/92/58/584839258.db2.gz SHZVZZMCMNUWGI-LBPRGKRZSA-N 1 2 245.326 2.429 20 30 BEEDLO CC[C@H]1CCC[C@@H](C=[NH+]n2ccnn2)C1 ZINC000835011905 584918020 /nfs/dbraw/zinc/91/80/20/584918020.db2.gz RFAFHHGFOVKUJB-WDEREUQCSA-N 1 2 206.293 2.328 20 30 BEEDLO O=C1c2cc(F)ccc2OC/C1=C/c1[nH]cc[nH+]1 ZINC000731564848 584926926 /nfs/dbraw/zinc/92/69/26/584926926.db2.gz AVNSMXSYGQGNLX-YVMONPNESA-N 1 2 244.225 2.208 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]\C[C@]2(C)CCOC2)c1 ZINC000733080795 584943023 /nfs/dbraw/zinc/94/30/23/584943023.db2.gz BMQVGQKAHCTWNJ-QDECMSLZSA-N 1 2 249.310 2.246 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]\C[C@@]2(C)CCOC2)c1 ZINC000733080796 584943043 /nfs/dbraw/zinc/94/30/43/584943043.db2.gz BMQVGQKAHCTWNJ-QVTJDRNWSA-N 1 2 249.310 2.246 20 30 BEEDLO COc1cccc(/C=[NH+]/C[C@@]2(C)CCOC2)c1O ZINC000733081348 584943085 /nfs/dbraw/zinc/94/30/85/584943085.db2.gz VXOVACBTCVYIIB-VLHYRRCOSA-N 1 2 249.310 2.246 20 30 BEEDLO Cc1ccc(COC(=O)C#CC2CC2)c(C)[nH+]1 ZINC000838366850 585054810 /nfs/dbraw/zinc/05/48/10/585054810.db2.gz SDADPBCKIQYUBT-UHFFFAOYSA-N 1 2 229.279 2.155 20 30 BEEDLO Cc1ncc(C[N@@H+](CCC#N)CC(C)C)cn1 ZINC000739915674 585085658 /nfs/dbraw/zinc/08/56/58/585085658.db2.gz RBAQGLGSKULWAA-UHFFFAOYSA-N 1 2 232.331 2.157 20 30 BEEDLO Cc1ncc(C[N@H+](CCC#N)CC(C)C)cn1 ZINC000739915674 585085659 /nfs/dbraw/zinc/08/56/59/585085659.db2.gz RBAQGLGSKULWAA-UHFFFAOYSA-N 1 2 232.331 2.157 20 30 BEEDLO C#Cc1ccc(C[NH+]2CC(OC(F)F)C2)cc1 ZINC000839145936 585092523 /nfs/dbraw/zinc/09/25/23/585092523.db2.gz XPZDJTFZVULMQJ-UHFFFAOYSA-N 1 2 237.249 2.091 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](C)CCCCC)C(=O)OC ZINC000839167435 585095354 /nfs/dbraw/zinc/09/53/54/585095354.db2.gz DHUQADOFFXKWFB-NEPJUHHUSA-N 1 2 225.332 2.110 20 30 BEEDLO C#CC[C@H]([NH2+]C[C@H]1CC(C)=C[C@@H](C)C1)C(=O)OC ZINC000839167627 585095369 /nfs/dbraw/zinc/09/53/69/585095369.db2.gz HFGYSPOSJFPOHK-BNOWGMLFSA-N 1 2 249.354 2.133 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](C)CCCCC=C)C(=O)OC ZINC000839167602 585095453 /nfs/dbraw/zinc/09/54/53/585095453.db2.gz GQSMHRMZEGDONH-OLZOCXBDSA-N 1 2 237.343 2.276 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H](C)[C@H](C)CCCC)C(=O)OC ZINC000839168483 585095729 /nfs/dbraw/zinc/09/57/29/585095729.db2.gz MCUGOPKJGVHPBV-AGIUHOORSA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@@H]([NH2+][C@H]1CCCC12CCCC2)C(=O)OC ZINC000839169343 585095914 /nfs/dbraw/zinc/09/59/14/585095914.db2.gz RMWZLROGZFWZOD-OLZOCXBDSA-N 1 2 249.354 2.254 20 30 BEEDLO C#CC[C@@H]([NH2+][C@H](C)CCC(C)(C)C)C(=O)OC ZINC000839170084 585096199 /nfs/dbraw/zinc/09/61/99/585096199.db2.gz WCTKLWFYCNQDHX-VXGBXAGGSA-N 1 2 239.359 2.356 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1c(C)cccc1C ZINC000839196355 585098861 /nfs/dbraw/zinc/09/88/61/585098861.db2.gz FDFSZLVHIPRSLN-AWEZNQCLSA-N 1 2 229.323 2.137 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1c(C)cccc1C ZINC000839196355 585098862 /nfs/dbraw/zinc/09/88/62/585098862.db2.gz FDFSZLVHIPRSLN-AWEZNQCLSA-N 1 2 229.323 2.137 20 30 BEEDLO C=C1CC[NH+]([C@H](C)C(=O)OCCCC)CC1 ZINC000741786006 585119104 /nfs/dbraw/zinc/11/91/04/585119104.db2.gz SMLLEYZYDORMMU-GFCCVEGCSA-N 1 2 225.332 2.370 20 30 BEEDLO N#Cc1ccc2c(c1)CC/C(=C/c1[nH]cc[nH+]1)C2=O ZINC000742437132 585126408 /nfs/dbraw/zinc/12/64/08/585126408.db2.gz RAHLLHLBXAZYKW-WQLSENKSSA-N 1 2 249.273 2.494 20 30 BEEDLO C#CC[C@H]1CC[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000886356295 585134332 /nfs/dbraw/zinc/13/43/32/585134332.db2.gz XNXXRIAQPRZBIY-NSHDSACASA-N 1 2 247.342 2.212 20 30 BEEDLO C#CC[C@H]1CC[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000886356295 585134333 /nfs/dbraw/zinc/13/43/33/585134333.db2.gz XNXXRIAQPRZBIY-NSHDSACASA-N 1 2 247.342 2.212 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]/CC1CCOCC1 ZINC000749103851 585199475 /nfs/dbraw/zinc/19/94/75/585199475.db2.gz DGCAQGHXRSVUCC-XNTDXEJSSA-N 1 2 249.310 2.246 20 30 BEEDLO C#CCOc1ccccc1OCc1c[nH+]cn1C ZINC000753119420 585253713 /nfs/dbraw/zinc/25/37/13/585253713.db2.gz WESAFKIAFPJNFA-UHFFFAOYSA-N 1 2 242.278 2.011 20 30 BEEDLO C#CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000753957361 585273260 /nfs/dbraw/zinc/27/32/60/585273260.db2.gz PYCSBNKLASEVNR-UHFFFAOYSA-N 1 2 239.278 2.265 20 30 BEEDLO Cn1c[nH+]cc1C=NNc1ccc(F)cc1F ZINC000755464926 585299984 /nfs/dbraw/zinc/29/99/84/585299984.db2.gz SRIVXAXSGQFHAO-UHFFFAOYSA-N 1 2 236.225 2.144 20 30 BEEDLO Cn1c[nH+]cc1C=NNc1cc(F)cc(F)c1 ZINC000755660227 585303816 /nfs/dbraw/zinc/30/38/16/585303816.db2.gz FKYQFCYFFZQSEC-UHFFFAOYSA-N 1 2 236.225 2.144 20 30 BEEDLO CCn1cc[nH+]c1CN=Nc1ccc(C)cn1 ZINC000755688583 585304278 /nfs/dbraw/zinc/30/42/78/585304278.db2.gz BMCMNFNOQQRAMN-UHFFFAOYSA-N 1 2 229.287 2.052 20 30 BEEDLO CC(C)CO[NH+]=Cc1cnc(N(C)C)s1 ZINC000755803053 585307660 /nfs/dbraw/zinc/30/76/60/585307660.db2.gz XXXJKLWQMZKHGD-UHFFFAOYSA-N 1 2 227.333 2.216 20 30 BEEDLO C=C(Cl)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000839534343 585329337 /nfs/dbraw/zinc/32/93/37/585329337.db2.gz AZGOBKMOAWRFET-SECBINFHSA-N 1 2 211.696 2.299 20 30 BEEDLO Cc1ccc2[nH+]cc(C=NOCC(F)F)n2c1 ZINC000758899278 585361834 /nfs/dbraw/zinc/36/18/34/585361834.db2.gz HZKJLCQQTSSUTL-UHFFFAOYSA-N 1 2 239.225 2.258 20 30 BEEDLO C#CCCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000760346374 585391025 /nfs/dbraw/zinc/39/10/25/585391025.db2.gz JSQIVJVRDXLQAD-UHFFFAOYSA-N 1 2 222.675 2.210 20 30 BEEDLO Cc1cc(O)c(C=NNc2[nH+]ccn2C)cc1C ZINC000790301171 585402901 /nfs/dbraw/zinc/40/29/01/585402901.db2.gz DLQJQGGTVVAYBI-UHFFFAOYSA-N 1 2 244.298 2.189 20 30 BEEDLO C#CC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000762229396 585429474 /nfs/dbraw/zinc/42/94/74/585429474.db2.gz GBZRIJBRYZMADC-UHFFFAOYSA-N 1 2 239.278 2.022 20 30 BEEDLO COc1cc(C[N@H+](CCC#N)CC(C)C)ccn1 ZINC000762925936 585439697 /nfs/dbraw/zinc/43/96/97/585439697.db2.gz JUQXEUHXKJZADH-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO COc1cc(C[N@@H+](CCC#N)CC(C)C)ccn1 ZINC000762925936 585439698 /nfs/dbraw/zinc/43/96/98/585439698.db2.gz JUQXEUHXKJZADH-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO CC#CCCO[NH+]=C(N)c1cccc(F)c1 ZINC000764937086 585478033 /nfs/dbraw/zinc/47/80/33/585478033.db2.gz OFYYMHILVCCOCL-UHFFFAOYSA-N 1 2 220.247 2.086 20 30 BEEDLO CC#CCCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000765516819 585488931 /nfs/dbraw/zinc/48/89/31/585488931.db2.gz XOTLZMIEXGPJJI-CQSZACIVSA-N 1 2 245.322 2.246 20 30 BEEDLO C#CCC(C)(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000767095682 585514079 /nfs/dbraw/zinc/51/40/79/585514079.db2.gz DERUFBHTARFFFH-UHFFFAOYSA-N 1 2 230.311 2.108 20 30 BEEDLO C[N@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC000768138397 585532916 /nfs/dbraw/zinc/53/29/16/585532916.db2.gz UHISZQKMHFZEEF-UHFFFAOYSA-N 1 2 216.284 2.062 20 30 BEEDLO C[N@@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC000768138397 585532917 /nfs/dbraw/zinc/53/29/17/585532917.db2.gz UHISZQKMHFZEEF-UHFFFAOYSA-N 1 2 216.284 2.062 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000768877317 585545344 /nfs/dbraw/zinc/54/53/44/585545344.db2.gz JFISWTAPTZMLIJ-LLVKDONJSA-N 1 2 230.311 2.308 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000768877317 585545345 /nfs/dbraw/zinc/54/53/45/585545345.db2.gz JFISWTAPTZMLIJ-LLVKDONJSA-N 1 2 230.311 2.308 20 30 BEEDLO C#CC[N@@H+](CC)Cc1n[nH]c2ccccc21 ZINC000769110986 585549332 /nfs/dbraw/zinc/54/93/32/585549332.db2.gz LDAXTRSDOLJJSP-UHFFFAOYSA-N 1 2 213.284 2.018 20 30 BEEDLO C#CC[N@H+](CC)Cc1n[nH]c2ccccc21 ZINC000769110986 585549333 /nfs/dbraw/zinc/54/93/33/585549333.db2.gz LDAXTRSDOLJJSP-UHFFFAOYSA-N 1 2 213.284 2.018 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000769977614 585568134 /nfs/dbraw/zinc/56/81/34/585568134.db2.gz MPCUBDKUZYVKPS-SNVBAGLBSA-N 1 2 206.289 2.252 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000769977614 585568135 /nfs/dbraw/zinc/56/81/35/585568135.db2.gz MPCUBDKUZYVKPS-SNVBAGLBSA-N 1 2 206.289 2.252 20 30 BEEDLO C=CCN(CC=C)C(=O)c1cccc2[nH+]ccn21 ZINC000770064433 585570458 /nfs/dbraw/zinc/57/04/58/585570458.db2.gz GCOBABZHWROGRZ-UHFFFAOYSA-N 1 2 241.294 2.149 20 30 BEEDLO C#C[C@H](Nc1cc[nH+]c(C(C)C)n1)[C@@H]1CCCO1 ZINC000772252716 585611044 /nfs/dbraw/zinc/61/10/44/585611044.db2.gz BZOXWNOJAPWZOG-RYUDHWBXSA-N 1 2 245.326 2.193 20 30 BEEDLO C=C(CC)CO[NH+]=C(N)c1ccccc1 ZINC000773179838 585633209 /nfs/dbraw/zinc/63/32/09/585633209.db2.gz BDZZUABVZBUDOH-UHFFFAOYSA-N 1 2 204.273 2.499 20 30 BEEDLO CO[C@@H]1CCC[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000774541818 585660845 /nfs/dbraw/zinc/66/08/45/585660845.db2.gz LGHRGHNDOQRKKL-BSRRMSHZSA-N 1 2 249.310 2.332 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000778230863 585728377 /nfs/dbraw/zinc/72/83/77/585728377.db2.gz GTCOOAMTUPNLBN-UHFFFAOYSA-N 1 2 223.320 2.375 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nnc(C(C)(C)C)o1 ZINC000778230863 585728378 /nfs/dbraw/zinc/72/83/78/585728378.db2.gz GTCOOAMTUPNLBN-UHFFFAOYSA-N 1 2 223.320 2.375 20 30 BEEDLO C[C@H](/[NH+]=C/c1cccc(O)c1O)[C@@H]1CCCOC1 ZINC000779707248 585759274 /nfs/dbraw/zinc/75/92/74/585759274.db2.gz LNWHDVQUFLZCAZ-JNHRFPILSA-N 1 2 249.310 2.332 20 30 BEEDLO C=CCOCC/[NH+]=C/c1ccccc1O ZINC000779706842 585759319 /nfs/dbraw/zinc/75/93/19/585759319.db2.gz IUFWSFGPWNOTOM-JLHYYAGUSA-N 1 2 205.257 2.014 20 30 BEEDLO C=CCCO[NH+]=C(N)COc1ccccc1F ZINC000780136269 585773230 /nfs/dbraw/zinc/77/32/30/585773230.db2.gz UEFMDCZDQOOSME-UHFFFAOYSA-N 1 2 238.262 2.279 20 30 BEEDLO CC[C@@H](C#N)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000781204904 585793085 /nfs/dbraw/zinc/79/30/85/585793085.db2.gz FJKJUAWAXRDCGD-STQMWFEESA-N 1 2 246.310 2.135 20 30 BEEDLO CO[C@H](C)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000782312726 585814854 /nfs/dbraw/zinc/81/48/54/585814854.db2.gz HCFWUIJCTPZEJM-MRVPVSSYSA-N 1 2 242.706 2.012 20 30 BEEDLO COc1cccc(/C=[NH+]/CC[C@H]2CCOC2)c1O ZINC000783684380 585839942 /nfs/dbraw/zinc/83/99/42/585839942.db2.gz FLMHWQQYAJXEPQ-ZRRZQRFHSA-N 1 2 249.310 2.246 20 30 BEEDLO C#CC[N@@H+](Cc1nnc(CC)s1)C1CCCC1 ZINC000784165540 585852410 /nfs/dbraw/zinc/85/24/10/585852410.db2.gz SINDMJUWHZAELG-UHFFFAOYSA-N 1 2 249.383 2.478 20 30 BEEDLO C#CC[N@H+](Cc1nnc(CC)s1)C1CCCC1 ZINC000784165540 585852411 /nfs/dbraw/zinc/85/24/11/585852411.db2.gz SINDMJUWHZAELG-UHFFFAOYSA-N 1 2 249.383 2.478 20 30 BEEDLO CC#CCCCC(=O)OCCCn1cc[nH+]c1 ZINC000784754283 585865950 /nfs/dbraw/zinc/86/59/50/585865950.db2.gz DNDVMAJMVKRPMS-UHFFFAOYSA-N 1 2 234.299 2.010 20 30 BEEDLO CC[C@H](C)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000790189487 585960767 /nfs/dbraw/zinc/96/07/67/585960767.db2.gz OAENFUBTVQVDLM-LBPRGKRZSA-N 1 2 246.358 2.426 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1cc(F)ccc1O ZINC000790299305 585962503 /nfs/dbraw/zinc/96/25/03/585962503.db2.gz BEIBEYUJCCNYRF-UHFFFAOYSA-N 1 2 248.261 2.101 20 30 BEEDLO CCOc1ccccc1C=NNc1[nH+]ccn1C ZINC000790305582 585963313 /nfs/dbraw/zinc/96/33/13/585963313.db2.gz KJWRJFBAGGKCQF-UHFFFAOYSA-N 1 2 244.298 2.265 20 30 BEEDLO Cn1cc[nH+]c1NN=C1CCc2cc(F)ccc21 ZINC000790306270 585963435 /nfs/dbraw/zinc/96/34/35/585963435.db2.gz GDGIILRBAZXLLR-UHFFFAOYSA-N 1 2 244.273 2.322 20 30 BEEDLO C#CCCCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000792119118 585996097 /nfs/dbraw/zinc/99/60/97/585996097.db2.gz RCFOESWDGOJSBU-UHFFFAOYSA-N 1 2 246.310 2.291 20 30 BEEDLO CON=C(C)C[NH+]1Cc2ccccc2C1 ZINC000792629894 586003510 /nfs/dbraw/zinc/00/35/10/586003510.db2.gz BTEMQYDSCIVPDA-UHFFFAOYSA-N 1 2 204.273 2.025 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(O)ccc1Cl ZINC000859275951 589027554 /nfs/dbraw/zinc/02/75/54/589027554.db2.gz UERLCJGFUGFVFL-UHFFFAOYSA-N 1 2 209.676 2.111 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(O)ccc1Cl ZINC000859275951 589027555 /nfs/dbraw/zinc/02/75/55/589027555.db2.gz UERLCJGFUGFVFL-UHFFFAOYSA-N 1 2 209.676 2.111 20 30 BEEDLO C=CCNN=C(C)C[NH+]1Cc2ccccc2C1 ZINC000795004174 586064046 /nfs/dbraw/zinc/06/40/46/586064046.db2.gz WAJAYZZBHJRRDS-UHFFFAOYSA-N 1 2 229.327 2.154 20 30 BEEDLO C=C(C)CCO[NH+]=C(N)c1ccccc1 ZINC000795196241 586071111 /nfs/dbraw/zinc/07/11/11/586071111.db2.gz BTWNRVCJAIWLIV-UHFFFAOYSA-N 1 2 204.273 2.499 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]\[C@H](C)[C@@H]2CCOC2)c1 ZINC000798343805 586142796 /nfs/dbraw/zinc/14/27/96/586142796.db2.gz RFHGMTNYFJFHHH-UFCGYKGRSA-N 1 2 249.310 2.245 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1noc(C2CCC2)n1 ZINC000859318501 589031096 /nfs/dbraw/zinc/03/10/96/589031096.db2.gz DGHDPIJEDBYOAA-CYBMUJFWSA-N 1 2 233.315 2.229 20 30 BEEDLO CCc1cnccc1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000800794407 586229118 /nfs/dbraw/zinc/22/91/18/586229118.db2.gz FPAQKOHSECBOAI-SNAWJCMRSA-N 1 2 241.294 2.274 20 30 BEEDLO Cn1c[nH+]c(/C=C2\Cc3c(cccc3F)C2=O)c1 ZINC000800793594 586229151 /nfs/dbraw/zinc/22/91/51/586229151.db2.gz NBUIKIKCPRHTLI-WEVVVXLNSA-N 1 2 242.253 2.382 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2cc(F)ccc2O)c1 ZINC000800794289 586229308 /nfs/dbraw/zinc/22/93/08/586229308.db2.gz BEXXDIZZCXQTSP-HWKANZROSA-N 1 2 246.241 2.161 20 30 BEEDLO C[C@H](C#N)OCC[N@H+](CC(F)F)CC1CCC1 ZINC000801935564 586278233 /nfs/dbraw/zinc/27/82/33/586278233.db2.gz HJHPCCZQRYOMOC-SNVBAGLBSA-N 1 2 246.301 2.282 20 30 BEEDLO C[C@H](C#N)OCC[N@@H+](CC(F)F)CC1CCC1 ZINC000801935564 586278234 /nfs/dbraw/zinc/27/82/34/586278234.db2.gz HJHPCCZQRYOMOC-SNVBAGLBSA-N 1 2 246.301 2.282 20 30 BEEDLO COc1cncc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000808728685 586485438 /nfs/dbraw/zinc/48/54/38/586485438.db2.gz RERBZVMJPQGRSC-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO COc1cncc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000808728685 586485439 /nfs/dbraw/zinc/48/54/39/586485439.db2.gz RERBZVMJPQGRSC-UHFFFAOYSA-N 1 2 247.342 2.462 20 30 BEEDLO C#CC[N@H+](Cc1cn[nH]c1)Cc1ccccc1 ZINC000809717954 586514814 /nfs/dbraw/zinc/51/48/14/586514814.db2.gz OYMPNLHBIOTDFT-UHFFFAOYSA-N 1 2 225.295 2.045 20 30 BEEDLO C#CC[N@@H+](Cc1cn[nH]c1)Cc1ccccc1 ZINC000809717954 586514815 /nfs/dbraw/zinc/51/48/15/586514815.db2.gz OYMPNLHBIOTDFT-UHFFFAOYSA-N 1 2 225.295 2.045 20 30 BEEDLO Cc1cn[nH]c1C[NH2+]Cc1cc(C#N)ccc1F ZINC000810146262 586535513 /nfs/dbraw/zinc/53/55/13/586535513.db2.gz OTONJJBREQXQBN-UHFFFAOYSA-N 1 2 244.273 2.019 20 30 BEEDLO Cc1c[nH]nc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000810146262 586535515 /nfs/dbraw/zinc/53/55/15/586535515.db2.gz OTONJJBREQXQBN-UHFFFAOYSA-N 1 2 244.273 2.019 20 30 BEEDLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)no1 ZINC000810239736 586537515 /nfs/dbraw/zinc/53/75/15/586537515.db2.gz YXYQQPCMGFCHEJ-SNVBAGLBSA-N 1 2 242.282 2.101 20 30 BEEDLO C=CC[N@H+](Cc1nnc(C(C)(C)C)[nH]1)C(C)C ZINC000814619594 586627133 /nfs/dbraw/zinc/62/71/33/586627133.db2.gz PJVFFWMCNREGCK-UHFFFAOYSA-N 1 2 236.363 2.499 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)C(C)C ZINC000814619594 586627134 /nfs/dbraw/zinc/62/71/34/586627134.db2.gz PJVFFWMCNREGCK-UHFFFAOYSA-N 1 2 236.363 2.499 20 30 BEEDLO CC(=NOC[C@H]1CCOC1)c1ccc(C)[nH+]c1C ZINC000814911870 586649169 /nfs/dbraw/zinc/64/91/69/586649169.db2.gz FWRFCHANBMCYKF-ZDUSSCGKSA-N 1 2 248.326 2.476 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1cccc2cc[nH]c21 ZINC000814918261 586650510 /nfs/dbraw/zinc/65/05/10/586650510.db2.gz JBKGRJDKEHUPKE-UHFFFAOYSA-N 1 2 239.282 2.347 20 30 BEEDLO CC(=[NH+]Nc1cccc(F)n1)c1ccc(N)nc1 ZINC000814928123 586652950 /nfs/dbraw/zinc/65/29/50/586652950.db2.gz XMGGOILQCBCFGJ-UHFFFAOYSA-N 1 2 245.261 2.034 20 30 BEEDLO CC(N=Nc1cccc(F)n1)c1ccc(N)[nH+]c1 ZINC000814928123 586652951 /nfs/dbraw/zinc/65/29/51/586652951.db2.gz XMGGOILQCBCFGJ-UHFFFAOYSA-N 1 2 245.261 2.034 20 30 BEEDLO C#CC[C@@H]([NH2+]C1CC2(C1)CCCCC2)C(=O)OC ZINC000817409406 586800820 /nfs/dbraw/zinc/80/08/20/586800820.db2.gz KPEDRDJSLCVXKP-CYBMUJFWSA-N 1 2 249.354 2.254 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000817409239 586801094 /nfs/dbraw/zinc/80/10/94/586801094.db2.gz FJUTWIAUPIOFDU-INIZCTEOSA-N 1 2 241.334 2.398 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000817409239 586801097 /nfs/dbraw/zinc/80/10/97/586801097.db2.gz FJUTWIAUPIOFDU-INIZCTEOSA-N 1 2 241.334 2.398 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000817409240 586801229 /nfs/dbraw/zinc/80/12/29/586801229.db2.gz FJUTWIAUPIOFDU-MRXNPFEDSA-N 1 2 241.334 2.398 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000817409240 586801231 /nfs/dbraw/zinc/80/12/31/586801231.db2.gz FJUTWIAUPIOFDU-MRXNPFEDSA-N 1 2 241.334 2.398 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000859886976 589068603 /nfs/dbraw/zinc/06/86/03/589068603.db2.gz BJDQUWCIDZLCPV-JTQLQIEISA-N 1 2 239.706 2.072 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000859886976 589068605 /nfs/dbraw/zinc/06/86/05/589068605.db2.gz BJDQUWCIDZLCPV-JTQLQIEISA-N 1 2 239.706 2.072 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1C/[NH+]=C/c1ccccc1O ZINC000818991269 586920636 /nfs/dbraw/zinc/92/06/36/586920636.db2.gz BBPPZEIDOBWFJL-YJCJMUBCSA-N 1 2 231.295 2.402 20 30 BEEDLO CC(C)n1cc2c(n1)[C@H]([NH2+]CCC#N)CCC2 ZINC000819219044 586939981 /nfs/dbraw/zinc/93/99/81/586939981.db2.gz BEJZTJCZEGUAQK-GFCCVEGCSA-N 1 2 232.331 2.345 20 30 BEEDLO Cc1ccc(N=NCc2c[nH+]cn2C(C)C)nn1 ZINC000819807267 586995812 /nfs/dbraw/zinc/99/58/12/586995812.db2.gz DRBKHUKDMKXBGX-UHFFFAOYSA-N 1 2 244.302 2.008 20 30 BEEDLO C=C(C)C(C)(C)C(=O)OCCc1c[nH+]cn1C ZINC000820687429 587066352 /nfs/dbraw/zinc/06/63/52/587066352.db2.gz WCOZJYZGGZIBJR-UHFFFAOYSA-N 1 2 236.315 2.108 20 30 BEEDLO C=C(C)C(C)(C)C(=O)OCCn1cc[nH+]c1 ZINC000820858040 587077303 /nfs/dbraw/zinc/07/73/03/587077303.db2.gz KQQLFMOOFPOAPA-UHFFFAOYSA-N 1 2 222.288 2.029 20 30 BEEDLO Nc1ccc(/C=C/C(=O)c2ccc(O)cc2)c[nH+]1 ZINC000821021223 587088875 /nfs/dbraw/zinc/08/88/75/587088875.db2.gz DPESXUKFTDWEPS-LREOWRDNSA-N 1 2 240.262 2.266 20 30 BEEDLO Cc1ccnc(N[C@@H]2CCn3cc[nH+]c32)c1C#N ZINC000828357490 587437969 /nfs/dbraw/zinc/43/79/69/587437969.db2.gz IWWITGRUKNXBRU-LLVKDONJSA-N 1 2 239.282 2.015 20 30 BEEDLO N#Cc1cnccc1C[NH+]1CCC(F)(F)CC1 ZINC000828456618 587443587 /nfs/dbraw/zinc/44/35/87/587443587.db2.gz GMKZQSGJQAGZFR-UHFFFAOYSA-N 1 2 237.253 2.184 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCC(=O)CC(C)C ZINC000828565325 587450674 /nfs/dbraw/zinc/45/06/74/587450674.db2.gz AECVJIRGVYIRQO-UHFFFAOYSA-N 1 2 222.332 2.393 20 30 BEEDLO C=CC[N@H+](CCC#N)CCC(=O)CC(C)C ZINC000828565325 587450676 /nfs/dbraw/zinc/45/06/76/587450676.db2.gz AECVJIRGVYIRQO-UHFFFAOYSA-N 1 2 222.332 2.393 20 30 BEEDLO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)no1 ZINC000829489231 587500412 /nfs/dbraw/zinc/50/04/12/587500412.db2.gz VXYZZKSEVCZKJC-SNVBAGLBSA-N 1 2 219.288 2.328 20 30 BEEDLO C#CC[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000829778405 587515363 /nfs/dbraw/zinc/51/53/63/587515363.db2.gz BSLCWTVYLXIMAR-LLVKDONJSA-N 1 2 245.326 2.182 20 30 BEEDLO C#CC[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000829778405 587515364 /nfs/dbraw/zinc/51/53/64/587515364.db2.gz BSLCWTVYLXIMAR-LLVKDONJSA-N 1 2 245.326 2.182 20 30 BEEDLO CC(C)(C)C#CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000834837903 587768567 /nfs/dbraw/zinc/76/85/67/587768567.db2.gz ZGRIZDWKMPRZMC-UHFFFAOYSA-N 1 2 241.294 2.322 20 30 BEEDLO CC(C)O[NH+]=C1CCCc2nc(N)sc21 ZINC000834999408 587776698 /nfs/dbraw/zinc/77/66/98/587776698.db2.gz AOOVYKRKTUQGTB-UHFFFAOYSA-N 1 2 225.317 2.191 20 30 BEEDLO CC1=C[C@@H](C)C[C@H](C=[NH+]n2ccnn2)C1 ZINC000835012366 587777936 /nfs/dbraw/zinc/77/79/36/587777936.db2.gz WZRRWOGLTXWLLI-KOLCDFICSA-N 1 2 204.277 2.104 20 30 BEEDLO NC(CCO)=[NH+]OCc1ccc2ccccc2c1 ZINC000121404303 587798363 /nfs/dbraw/zinc/79/83/63/587798363.db2.gz SNGBCZPKMCGOBU-UHFFFAOYSA-N 1 2 244.294 2.011 20 30 BEEDLO C=CCONC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000836631719 587835612 /nfs/dbraw/zinc/83/56/12/587835612.db2.gz GDOJRHINAJVMBH-UHFFFAOYSA-N 1 2 235.287 2.246 20 30 BEEDLO Cc1[nH]c2ccc(NC(=O)C#CC3CC3)cc2[nH+]1 ZINC000837323197 587866449 /nfs/dbraw/zinc/86/64/49/587866449.db2.gz ZMBPAAAHZYNITF-UHFFFAOYSA-N 1 2 239.278 2.223 20 30 BEEDLO Oc1ccccc1/C=[NH+]/CC1=CCOCC1 ZINC000840707755 587916907 /nfs/dbraw/zinc/91/69/07/587916907.db2.gz RXAORXRHYUBLOD-GXDHUFHOSA-N 1 2 217.268 2.158 20 30 BEEDLO C=CC(C)(C)C/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000840711271 587917881 /nfs/dbraw/zinc/91/78/81/587917881.db2.gz XOEFWHRRZSZMAV-VIZOYTHASA-N 1 2 248.326 2.219 20 30 BEEDLO CCn1c[nH+]cc1C=NNC1CCCCC1 ZINC000841636483 587963865 /nfs/dbraw/zinc/96/38/65/587963865.db2.gz BUIZZELXQCASTF-UHFFFAOYSA-N 1 2 220.320 2.159 20 30 BEEDLO CC(C)Cn1nccc1C[NH+]1CCC(C#N)CC1 ZINC000843393349 588106403 /nfs/dbraw/zinc/10/64/03/588106403.db2.gz ZXUNQYSUPMDASD-UHFFFAOYSA-N 1 2 246.358 2.275 20 30 BEEDLO C=CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC000844323768 588184937 /nfs/dbraw/zinc/18/49/37/588184937.db2.gz PTLFNSRZBSQPBO-LBPRGKRZSA-N 1 2 235.331 2.257 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000844389495 588188926 /nfs/dbraw/zinc/18/89/26/588188926.db2.gz KKBQFLPXKFTJKJ-VHSXEESVSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000844389495 588188927 /nfs/dbraw/zinc/18/89/27/588188927.db2.gz KKBQFLPXKFTJKJ-VHSXEESVSA-N 1 2 203.713 2.238 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000844421969 588191852 /nfs/dbraw/zinc/19/18/52/588191852.db2.gz JFPQSBPKVHENCE-JTQLQIEISA-N 1 2 215.724 2.382 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000844421969 588191854 /nfs/dbraw/zinc/19/18/54/588191854.db2.gz JFPQSBPKVHENCE-JTQLQIEISA-N 1 2 215.724 2.382 20 30 BEEDLO C=C[C@@H](C)O[NH+]=Cc1cnc(N(C)C)s1 ZINC000844622168 588209943 /nfs/dbraw/zinc/20/99/43/588209943.db2.gz VWHNYLUOSCRVTN-MRVPVSSYSA-N 1 2 225.317 2.134 20 30 BEEDLO C=C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)C(=O)OC ZINC000844630405 588211472 /nfs/dbraw/zinc/21/14/72/588211472.db2.gz HHOQVUNSVXNMIS-GDPRMGEGSA-N 1 2 249.713 2.008 20 30 BEEDLO C[C@H](CC(=O)OCCC(C)(C)C#N)n1cc[nH+]c1 ZINC000845283496 588225682 /nfs/dbraw/zinc/22/56/82/588225682.db2.gz DLIVKPWTGPLIFA-LLVKDONJSA-N 1 2 249.314 2.317 20 30 BEEDLO C=C(C)[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845514223 588231621 /nfs/dbraw/zinc/23/16/21/588231621.db2.gz LCCOIYZCHMZDNP-GHMZBOCLSA-N 1 2 222.288 2.342 20 30 BEEDLO COCC1(C/[NH+]=C/c2ccccc2O)CC1 ZINC000846757201 588286161 /nfs/dbraw/zinc/28/61/61/588286161.db2.gz VODKMYKLBQRKDL-RIYZIHGNSA-N 1 2 219.284 2.238 20 30 BEEDLO C#CC[N@H+](Cc1cnsn1)C1CCCCC1 ZINC000846782259 588287872 /nfs/dbraw/zinc/28/78/72/588287872.db2.gz PAQIOXJDISAHCD-UHFFFAOYSA-N 1 2 235.356 2.306 20 30 BEEDLO C#CC[N@@H+](Cc1cnsn1)C1CCCCC1 ZINC000846782259 588287873 /nfs/dbraw/zinc/28/78/73/588287873.db2.gz PAQIOXJDISAHCD-UHFFFAOYSA-N 1 2 235.356 2.306 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)CC1(Br)CC1 ZINC000846816428 588290857 /nfs/dbraw/zinc/29/08/57/588290857.db2.gz WMHLOVAUFMZSFK-QMMMGPOBSA-N 1 2 231.137 2.148 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)CC1(Br)CC1 ZINC000846816428 588290858 /nfs/dbraw/zinc/29/08/58/588290858.db2.gz WMHLOVAUFMZSFK-QMMMGPOBSA-N 1 2 231.137 2.148 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC000847026463 588303902 /nfs/dbraw/zinc/30/39/02/588303902.db2.gz FFMRDPHXVADUCI-NSHDSACASA-N 1 2 247.342 2.212 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC000847026463 588303903 /nfs/dbraw/zinc/30/39/03/588303903.db2.gz FFMRDPHXVADUCI-NSHDSACASA-N 1 2 247.342 2.212 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000847032932 588304471 /nfs/dbraw/zinc/30/44/71/588304471.db2.gz ZDNLJFMHJBNIBU-NSHDSACASA-N 1 2 247.342 2.212 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000847032932 588304472 /nfs/dbraw/zinc/30/44/72/588304472.db2.gz ZDNLJFMHJBNIBU-NSHDSACASA-N 1 2 247.342 2.212 20 30 BEEDLO CCCCOC(=O)C(C)(C)[NH2+]CCCC#N ZINC000847058092 588305208 /nfs/dbraw/zinc/30/52/08/588305208.db2.gz NPFLZONBKSBHKF-UHFFFAOYSA-N 1 2 226.320 2.002 20 30 BEEDLO CCC(=NNCCCn1cc[nH+]c1)c1ccco1 ZINC000848416538 588381418 /nfs/dbraw/zinc/38/14/18/588381418.db2.gz OMJHIWIWLWQMOL-UHFFFAOYSA-N 1 2 246.314 2.270 20 30 BEEDLO C[C@H]1CCCCC1=NNCCCn1cc[nH+]c1 ZINC000848417684 588382449 /nfs/dbraw/zinc/38/24/49/588382449.db2.gz CYAAWXWXHRRURG-LBPRGKRZSA-N 1 2 234.347 2.429 20 30 BEEDLO CC(CC1CC1)=NNCCCn1cc[nH+]c1 ZINC000848419492 588382830 /nfs/dbraw/zinc/38/28/30/588382830.db2.gz YEZCFHOUKCIOOE-UHFFFAOYSA-N 1 2 220.320 2.039 20 30 BEEDLO CCO[C@H]1C[C@H](/[NH+]=C/c2ccccc2O)C1 ZINC000849169286 588459227 /nfs/dbraw/zinc/45/92/27/588459227.db2.gz ARKXUIKOEAZLEJ-LVAQNMCJSA-N 1 2 219.284 2.379 20 30 BEEDLO C=CCOCCC/[NH+]=C/c1c(O)cccc1OC ZINC000849172760 588459875 /nfs/dbraw/zinc/45/98/75/588459875.db2.gz ZKZHNHAWQZADBV-RVDMUPIBSA-N 1 2 249.310 2.412 20 30 BEEDLO COC(CC[N@@H+]1CCCC(C)(C)[C@H]1C#N)OC ZINC000851989332 588652247 /nfs/dbraw/zinc/65/22/47/588652247.db2.gz ULCFBVCMUVWIRQ-LLVKDONJSA-N 1 2 240.347 2.010 20 30 BEEDLO COC(CC[N@H+]1CCCC(C)(C)[C@H]1C#N)OC ZINC000851989332 588652248 /nfs/dbraw/zinc/65/22/48/588652248.db2.gz ULCFBVCMUVWIRQ-LLVKDONJSA-N 1 2 240.347 2.010 20 30 BEEDLO C#CCOCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000852048809 588657455 /nfs/dbraw/zinc/65/74/55/588657455.db2.gz BAKADTDKZUYPSM-UHFFFAOYSA-N 1 2 235.714 2.305 20 30 BEEDLO C#CCOCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000852048809 588657456 /nfs/dbraw/zinc/65/74/56/588657456.db2.gz BAKADTDKZUYPSM-UHFFFAOYSA-N 1 2 235.714 2.305 20 30 BEEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(CC)no1 ZINC000852098972 588662218 /nfs/dbraw/zinc/66/22/18/588662218.db2.gz AGEWHJXYCQZDLB-BXKDBHETSA-N 1 2 221.304 2.085 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1ncc(C2CC2)o1 ZINC000852100807 588662793 /nfs/dbraw/zinc/66/27/93/588662793.db2.gz JGINRTFRAXSQQL-CYBMUJFWSA-N 1 2 218.300 2.444 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1noc(C(C)C)n1 ZINC000852099888 588662894 /nfs/dbraw/zinc/66/28/94/588662894.db2.gz QYLXBSFPRGDKEY-LBPRGKRZSA-N 1 2 221.304 2.085 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+][C@@H](CC)C(=O)OC(C)(C)C ZINC000852103211 588663475 /nfs/dbraw/zinc/66/34/75/588663475.db2.gz AKVGQYINSRIDJQ-FZMZJTMJSA-N 1 2 239.359 2.498 20 30 BEEDLO C=CC[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000860900074 589128258 /nfs/dbraw/zinc/12/82/58/589128258.db2.gz XEHXLHOCDPFTOJ-WDEREUQCSA-N 1 2 222.288 2.342 20 30 BEEDLO C#CCN(Cc1[nH]cc(C)[nH+]1)Cc1ccccc1 ZINC000862366694 589204347 /nfs/dbraw/zinc/20/43/47/589204347.db2.gz VWZLHAUVLJZBJF-UHFFFAOYSA-N 1 2 239.322 2.354 20 30 BEEDLO CCO[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863077672 589254931 /nfs/dbraw/zinc/25/49/31/589254931.db2.gz UFXWOMGONSSULD-UHFFFAOYSA-N 1 2 228.242 2.401 20 30 BEEDLO C[C@H]1C[C@@H]1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000863453529 589288597 /nfs/dbraw/zinc/28/85/97/589288597.db2.gz ANSBPXKDNBVILM-WCBMZHEXSA-N 1 2 222.263 2.119 20 30 BEEDLO COC(C)(C)CC/[NH+]=C/c1cccc(O)c1O ZINC000864347699 589354845 /nfs/dbraw/zinc/35/48/45/589354845.db2.gz WGKOSYPQWHGZPI-NTEUORMPSA-N 1 2 237.299 2.332 20 30 BEEDLO C[C@@H](C#N)OCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376384 589428505 /nfs/dbraw/zinc/42/85/05/589428505.db2.gz LHSNTOBYFRDQTM-JTQLQIEISA-N 1 2 221.304 2.109 20 30 BEEDLO C#CCC[C@@H](O)CNc1cc(CCCC)[nH+]cn1 ZINC000865755640 589460991 /nfs/dbraw/zinc/46/09/91/589460991.db2.gz ACKOWJQIKARHJO-CYBMUJFWSA-N 1 2 247.342 2.005 20 30 BEEDLO CC#CCN(C)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865837511 589464218 /nfs/dbraw/zinc/46/42/18/589464218.db2.gz HHSQUYBJDNYUNE-UHFFFAOYSA-N 1 2 234.690 2.022 20 30 BEEDLO C[C@H](O)c1ccc(NCC(C)(C)CC#N)[nH+]c1 ZINC000865870711 589466082 /nfs/dbraw/zinc/46/60/82/589466082.db2.gz YGTQYQRVUZQDDW-JTQLQIEISA-N 1 2 233.315 2.487 20 30 BEEDLO C#CC[C@@H]1CCCN(c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000865900216 589467696 /nfs/dbraw/zinc/46/76/96/589467696.db2.gz WXEVHNVWWNRTJD-QWHCGFSZSA-N 1 2 244.338 2.375 20 30 BEEDLO COCCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866234031 589481922 /nfs/dbraw/zinc/48/19/22/589481922.db2.gz JZWKZEZARPGOGV-NSHDSACASA-N 1 2 248.326 2.341 20 30 BEEDLO C[C@@H]([NH2+]C1CCOCC1)c1cccc(C#N)c1O ZINC000866238077 589482273 /nfs/dbraw/zinc/48/22/73/589482273.db2.gz INUQCFBHMVSYTB-SNVBAGLBSA-N 1 2 246.310 2.093 20 30 BEEDLO COC[C@@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866243358 589482372 /nfs/dbraw/zinc/48/23/72/589482372.db2.gz YLYPHQFGSZXBOK-WDEREUQCSA-N 1 2 248.326 2.197 20 30 BEEDLO CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866262648 589483488 /nfs/dbraw/zinc/48/34/88/589483488.db2.gz DQAGIEGICLQMKL-QMTHXVAHSA-N 1 2 248.326 2.075 20 30 BEEDLO C[C@H](CCCO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866282259 589484050 /nfs/dbraw/zinc/48/40/50/589484050.db2.gz GZACMRDUNGKWQE-GHMZBOCLSA-N 1 2 248.326 2.075 20 30 BEEDLO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cccc(C#N)c1O ZINC000866318413 589486201 /nfs/dbraw/zinc/48/62/01/589486201.db2.gz YDQSOWBJDFVDDQ-NXEZZACHSA-N 1 2 248.326 2.074 20 30 BEEDLO CC(C)OCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866338519 589486972 /nfs/dbraw/zinc/48/69/72/589486972.db2.gz SPIKWCYGAZOKSU-NSHDSACASA-N 1 2 248.326 2.339 20 30 BEEDLO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc(C#N)c1O ZINC000866380796 589489112 /nfs/dbraw/zinc/48/91/12/589489112.db2.gz DSHBORHAJTVZPE-FOGDFJRCSA-N 1 2 246.310 2.092 20 30 BEEDLO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866397761 589490215 /nfs/dbraw/zinc/49/02/15/589490215.db2.gz JKDWUYQSDHTSIT-DLOVCJGASA-N 1 2 246.310 2.092 20 30 BEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1csc(C)c1 ZINC000871117545 589730255 /nfs/dbraw/zinc/73/02/55/589730255.db2.gz QWPXLWUSLVWUFF-LBPRGKRZSA-N 1 2 248.351 2.093 20 30 BEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1csc(C)c1 ZINC000871117545 589730258 /nfs/dbraw/zinc/73/02/58/589730258.db2.gz QWPXLWUSLVWUFF-LBPRGKRZSA-N 1 2 248.351 2.093 20 30 BEEDLO C#CCc1c(C)nn(-c2cc(C)[nH+]c(C)n2)c1C ZINC000871943972 589837727 /nfs/dbraw/zinc/83/77/27/589837727.db2.gz DNDCFPAKHLAYLA-UHFFFAOYSA-N 1 2 240.310 2.072 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872269399 589902910 /nfs/dbraw/zinc/90/29/10/589902910.db2.gz XXGMIEWFVBGXBB-MRVPVSSYSA-N 1 2 225.666 2.095 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872269399 589902911 /nfs/dbraw/zinc/90/29/11/589902911.db2.gz XXGMIEWFVBGXBB-MRVPVSSYSA-N 1 2 225.666 2.095 20 30 BEEDLO Cc1ccnc(N=NCc2cn(C3CC3)c[nH+]2)c1 ZINC000872356475 589917415 /nfs/dbraw/zinc/91/74/15/589917415.db2.gz PBVOFSUNBVQGJU-UHFFFAOYSA-N 1 2 241.298 2.367 20 30 BEEDLO CC[C@@H](C)CON=Cc1c(C)cc[nH+]c1N ZINC000872376430 589925787 /nfs/dbraw/zinc/92/57/87/589925787.db2.gz GOEXESADSDKTFS-SECBINFHSA-N 1 2 221.304 2.369 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNC[C@@H]1CCCC1(F)F ZINC000872405342 589935253 /nfs/dbraw/zinc/93/52/53/589935253.db2.gz IFWFREKVRPZTRJ-VIFPVBQESA-N 1 2 242.273 2.077 20 30 BEEDLO C=CC[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000125233504 590157478 /nfs/dbraw/zinc/15/74/78/590157478.db2.gz ZAKMQEYCGYYFCO-UWVGGRQHSA-N 1 2 213.321 2.271 20 30 BEEDLO C#CCCCCCCN1CC[NH+](C2CC2)CC1 ZINC000876563405 590216360 /nfs/dbraw/zinc/21/63/60/590216360.db2.gz GEVYWXMQXADDRT-UHFFFAOYSA-N 1 2 234.387 2.350 20 30 BEEDLO CC[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876562265 590216687 /nfs/dbraw/zinc/21/66/87/590216687.db2.gz XSYACKKWURDGPA-UHFFFAOYSA-N 1 2 209.680 2.058 20 30 BEEDLO CC[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876562265 590216689 /nfs/dbraw/zinc/21/66/89/590216689.db2.gz XSYACKKWURDGPA-UHFFFAOYSA-N 1 2 209.680 2.058 20 30 BEEDLO CC1(C[N@@H+]2CCN(C3CC3)[C@H](C#N)C2)CCCC1 ZINC000876734024 590234369 /nfs/dbraw/zinc/23/43/69/590234369.db2.gz NQAROULQVHBXQG-CQSZACIVSA-N 1 2 247.386 2.239 20 30 BEEDLO CC1(C[N@H+]2CCN(C3CC3)[C@H](C#N)C2)CCCC1 ZINC000876734024 590234370 /nfs/dbraw/zinc/23/43/70/590234370.db2.gz NQAROULQVHBXQG-CQSZACIVSA-N 1 2 247.386 2.239 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(C(F)F)nc1 ZINC000876750551 590237645 /nfs/dbraw/zinc/23/76/45/590237645.db2.gz VIYMTPIMJBYRHL-UHFFFAOYSA-N 1 2 248.276 2.478 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(C(F)F)nc1 ZINC000876750551 590237646 /nfs/dbraw/zinc/23/76/46/590237646.db2.gz VIYMTPIMJBYRHL-UHFFFAOYSA-N 1 2 248.276 2.478 20 30 BEEDLO C=CC[N@@H+](Cc1cc(OC)cnc1F)C1CC1 ZINC000877328179 590317648 /nfs/dbraw/zinc/31/76/48/590317648.db2.gz CGXZWBDMPBYIMP-UHFFFAOYSA-N 1 2 236.290 2.380 20 30 BEEDLO C=CC[N@H+](Cc1cc(OC)cnc1F)C1CC1 ZINC000877328179 590317651 /nfs/dbraw/zinc/31/76/51/590317651.db2.gz CGXZWBDMPBYIMP-UHFFFAOYSA-N 1 2 236.290 2.380 20 30 BEEDLO N#CCC[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877483816 590337751 /nfs/dbraw/zinc/33/77/51/590337751.db2.gz QDOIESKNIVSBSQ-UHFFFAOYSA-N 1 2 235.674 2.484 20 30 BEEDLO COc1cnc(F)c(C[NH2+]CC2(C#N)CCC2)c1 ZINC000877594283 590370195 /nfs/dbraw/zinc/37/01/95/590370195.db2.gz DJETXTLWTXDNCH-UHFFFAOYSA-N 1 2 249.289 2.013 20 30 BEEDLO C=CC[NH+](CC=C)CC(=O)Nc1ncccc1C ZINC000877959520 590458386 /nfs/dbraw/zinc/45/83/86/590458386.db2.gz YLMWBOQISCLYNW-UHFFFAOYSA-N 1 2 245.326 2.003 20 30 BEEDLO CC(C)[C@H](O)CC[N@H+](CC#N)C1CCCC1 ZINC000878120441 590499226 /nfs/dbraw/zinc/49/92/26/590499226.db2.gz LIEZYHZGRICOCM-CYBMUJFWSA-N 1 2 224.348 2.162 20 30 BEEDLO CC(C)[C@H](O)CC[N@@H+](CC#N)C1CCCC1 ZINC000878120441 590499228 /nfs/dbraw/zinc/49/92/28/590499228.db2.gz LIEZYHZGRICOCM-CYBMUJFWSA-N 1 2 224.348 2.162 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(C(F)(F)F)co1 ZINC000878152561 590508142 /nfs/dbraw/zinc/50/81/42/590508142.db2.gz KNDZQKTZVWJUKU-UHFFFAOYSA-N 1 2 241.212 2.367 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@H+](CC)Cc1ccncc1 ZINC000878331253 590548479 /nfs/dbraw/zinc/54/84/79/590548479.db2.gz UBJMKUPTZKEYLT-CYBMUJFWSA-N 1 2 248.326 2.021 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@@H+](CC)Cc1ccncc1 ZINC000878331253 590548480 /nfs/dbraw/zinc/54/84/80/590548480.db2.gz UBJMKUPTZKEYLT-CYBMUJFWSA-N 1 2 248.326 2.021 20 30 BEEDLO C=CC[N@@H+](Cc1nccn1CC(F)F)C1CC1 ZINC000878341573 590552268 /nfs/dbraw/zinc/55/22/68/590552268.db2.gz BYWLTIWPFJOIPU-UHFFFAOYSA-N 1 2 241.285 2.299 20 30 BEEDLO C=CC[N@H+](Cc1nccn1CC(F)F)C1CC1 ZINC000878341573 590552270 /nfs/dbraw/zinc/55/22/70/590552270.db2.gz BYWLTIWPFJOIPU-UHFFFAOYSA-N 1 2 241.285 2.299 20 30 BEEDLO Cc1conc1C[NH+]1CCC(C)(C#N)CC1 ZINC000878389302 590558534 /nfs/dbraw/zinc/55/85/34/590558534.db2.gz CRSOEUIKMALVRS-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO CO[C@H]1C[C@@H](C[N@@H+]2CCCC(C)(C)[C@@H]2C#N)C1 ZINC000878517232 590585794 /nfs/dbraw/zinc/58/57/94/590585794.db2.gz KQRMWHUNNBAJKP-XQQFMLRXSA-N 1 2 236.359 2.426 20 30 BEEDLO CO[C@H]1C[C@@H](C[N@H+]2CCCC(C)(C)[C@@H]2C#N)C1 ZINC000878517232 590585795 /nfs/dbraw/zinc/58/57/95/590585795.db2.gz KQRMWHUNNBAJKP-XQQFMLRXSA-N 1 2 236.359 2.426 20 30 BEEDLO N#CCC[NH2+]Cc1c(O)cccc1Cl ZINC000127242974 590599640 /nfs/dbraw/zinc/59/96/40/590599640.db2.gz BJOYHXZMMBLDEP-UHFFFAOYSA-N 1 2 210.664 2.049 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1occc1C ZINC000878643270 590600675 /nfs/dbraw/zinc/60/06/75/590600675.db2.gz JXZKOFVVRIRHPM-LLVKDONJSA-N 1 2 237.299 2.138 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1occc1C ZINC000878643270 590600676 /nfs/dbraw/zinc/60/06/76/590600676.db2.gz JXZKOFVVRIRHPM-LLVKDONJSA-N 1 2 237.299 2.138 20 30 BEEDLO COCC[N@H+](CC#N)CC1CC2(CCC2)C1 ZINC000878696641 590611284 /nfs/dbraw/zinc/61/12/84/590611284.db2.gz PRPZNFCPQXRMAX-UHFFFAOYSA-N 1 2 222.332 2.039 20 30 BEEDLO COCC[N@@H+](CC#N)CC1CC2(CCC2)C1 ZINC000878696641 590611285 /nfs/dbraw/zinc/61/12/85/590611285.db2.gz PRPZNFCPQXRMAX-UHFFFAOYSA-N 1 2 222.332 2.039 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000878705534 590612942 /nfs/dbraw/zinc/61/29/42/590612942.db2.gz ZNFVIEADKMUZPK-RYUDHWBXSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000878705534 590612944 /nfs/dbraw/zinc/61/29/44/590612944.db2.gz ZNFVIEADKMUZPK-RYUDHWBXSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@H]1CCC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000878843387 590631727 /nfs/dbraw/zinc/63/17/27/590631727.db2.gz BVLXTZQPKSHSBH-NSHDSACASA-N 1 2 245.326 2.182 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000878843387 590631730 /nfs/dbraw/zinc/63/17/30/590631730.db2.gz BVLXTZQPKSHSBH-NSHDSACASA-N 1 2 245.326 2.182 20 30 BEEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1ccns1 ZINC000878899636 590643030 /nfs/dbraw/zinc/64/30/30/590643030.db2.gz NARCQDVOKPMIRU-UHFFFAOYSA-N 1 2 233.296 2.240 20 30 BEEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccns1 ZINC000878899636 590643034 /nfs/dbraw/zinc/64/30/34/590643034.db2.gz NARCQDVOKPMIRU-UHFFFAOYSA-N 1 2 233.296 2.240 20 30 BEEDLO C=CC[N@@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879634645 590839549 /nfs/dbraw/zinc/83/95/49/590839549.db2.gz ZQXMBGBSIAVZIV-CQSZACIVSA-N 1 2 233.311 2.255 20 30 BEEDLO C=CC[N@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879634645 590839550 /nfs/dbraw/zinc/83/95/50/590839550.db2.gz ZQXMBGBSIAVZIV-CQSZACIVSA-N 1 2 233.311 2.255 20 30 BEEDLO CCOC(=O)[C@@H](CC1CC1)[NH2+][C@H](C)CCC#N ZINC000879982879 590903796 /nfs/dbraw/zinc/90/37/96/590903796.db2.gz OISBQRGFDRGQNQ-ZYHUDNBSSA-N 1 2 238.331 2.000 20 30 BEEDLO C=CC(C)(C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000880086331 590922980 /nfs/dbraw/zinc/92/29/80/590922980.db2.gz NEPYZFQJQVYAJB-SECBINFHSA-N 1 2 221.304 2.189 20 30 BEEDLO C#CCC1(O)CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000880481534 591055668 /nfs/dbraw/zinc/05/56/68/591055668.db2.gz VWFUJOPMTNQIJW-NTMALXAHSA-N 1 2 248.153 2.156 20 30 BEEDLO C=C(C)C[C@H](CO)Nc1[nH+]c2ccccc2n1C ZINC000883006183 591507337 /nfs/dbraw/zinc/50/73/37/591507337.db2.gz LRHADBMOMJDDGS-LLVKDONJSA-N 1 2 245.326 2.312 20 30 BEEDLO C=C(C)C[C@@H](CO)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000883006132 591507490 /nfs/dbraw/zinc/50/74/90/591507490.db2.gz KDEOXWBRVAXLGG-JTQLQIEISA-N 1 2 246.314 2.005 20 30 BEEDLO Cc1[nH]nc(NCc2[nH]cc(C(C)C)[nH+]2)c1C#N ZINC000883142145 591550376 /nfs/dbraw/zinc/55/03/76/591550376.db2.gz ZRZVMZHDHRNHRX-UHFFFAOYSA-N 1 2 244.302 2.048 20 30 BEEDLO C=CCC[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCO1 ZINC000883187447 591567088 /nfs/dbraw/zinc/56/70/88/591567088.db2.gz OHOGFKZMODVYER-OLZOCXBDSA-N 1 2 235.331 2.013 20 30 BEEDLO C=CCO[NH+]=C(N)Cc1ccccc1Cl ZINC000131612830 591629296 /nfs/dbraw/zinc/62/92/96/591629296.db2.gz RRZMCLJEBABNLG-UHFFFAOYSA-N 1 2 224.691 2.357 20 30 BEEDLO Cc1[nH]c(CNc2cccc(CC#N)n2)[nH+]c1C ZINC000883357804 591629501 /nfs/dbraw/zinc/62/95/01/591629501.db2.gz UZTBNSMMPNEODO-UHFFFAOYSA-N 1 2 241.298 2.100 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@@H](CCC)C1 ZINC000131779895 591656156 /nfs/dbraw/zinc/65/61/56/591656156.db2.gz RUSCVLTYOXNZSR-JTQLQIEISA-N 1 2 203.713 2.240 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@@H](CCC)C1 ZINC000131779895 591656153 /nfs/dbraw/zinc/65/61/53/591656153.db2.gz RUSCVLTYOXNZSR-JTQLQIEISA-N 1 2 203.713 2.240 20 30 BEEDLO C=CCOC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000132222765 591694182 /nfs/dbraw/zinc/69/41/82/591694182.db2.gz GUEMELFUKMYXAX-LBPRGKRZSA-N 1 2 245.322 2.162 20 30 BEEDLO C=CCOC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000132222765 591694185 /nfs/dbraw/zinc/69/41/85/591694185.db2.gz GUEMELFUKMYXAX-LBPRGKRZSA-N 1 2 245.322 2.162 20 30 BEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc[nH+]c(CC)n1 ZINC000884494889 591955709 /nfs/dbraw/zinc/95/57/09/591955709.db2.gz FXBGVTUZCBZSPJ-SMDDNHRTSA-N 1 2 247.342 2.432 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cccnc1Cl ZINC000134969932 591966796 /nfs/dbraw/zinc/96/67/96/591966796.db2.gz MZHVVUNJQQAWJC-MRVPVSSYSA-N 1 2 209.680 2.127 20 30 BEEDLO NC(Cc1cccnc1)=[NH+]OCc1ccccc1 ZINC000137636947 592206384 /nfs/dbraw/zinc/20/63/84/592206384.db2.gz USUUYTVYZIEDID-UHFFFAOYSA-N 1 2 241.294 2.113 20 30 BEEDLO C[C@H]([NH2+]CC1(CC#N)CC1)c1ncco1 ZINC000886540889 592254094 /nfs/dbraw/zinc/25/40/94/592254094.db2.gz MKZLEAQPTJDJES-VIFPVBQESA-N 1 2 205.261 2.019 20 30 BEEDLO C#CCC1(NC(=O)c2c[nH+]c(C)[nH]2)CCCCC1 ZINC000886653178 592291056 /nfs/dbraw/zinc/29/10/56/592291056.db2.gz BCPAMAVWLGALPK-UHFFFAOYSA-N 1 2 245.326 2.174 20 30 BEEDLO C[C@H](C#N)OCC[N@H+](CC(F)F)C1CCC1 ZINC000887102555 592442768 /nfs/dbraw/zinc/44/27/68/592442768.db2.gz UJJYOBJJCXBAII-SECBINFHSA-N 1 2 232.274 2.035 20 30 BEEDLO C[C@H](C#N)OCC[N@@H+](CC(F)F)C1CCC1 ZINC000887102555 592442771 /nfs/dbraw/zinc/44/27/71/592442771.db2.gz UJJYOBJJCXBAII-SECBINFHSA-N 1 2 232.274 2.035 20 30 BEEDLO CO[C@H]1C[C@H](C/[NH+]=C/c2ccccc2O)C1 ZINC000887268154 592472852 /nfs/dbraw/zinc/47/28/52/592472852.db2.gz DFGOAOMFYUDBMJ-VAZAZWCSSA-N 1 2 219.284 2.236 20 30 BEEDLO Oc1cccc(/C=[NH+]\C[C@H]2C=CCC2)c1O ZINC000887268607 592473394 /nfs/dbraw/zinc/47/33/94/592473394.db2.gz PVJNDLNVZWTYQO-ADVUTCEVSA-N 1 2 217.268 2.483 20 30 BEEDLO C=C1CCC(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000889792551 592653574 /nfs/dbraw/zinc/65/35/74/592653574.db2.gz CEEAPXMATRDZRU-UHFFFAOYSA-N 1 2 230.311 2.497 20 30 BEEDLO CCOc1ccc(C[NH2+][C@H](CC)CC#N)o1 ZINC000893606402 635226693 /nfs/dbraw/zinc/22/66/93/635226693.db2.gz OMPYJUPCGCJRHX-SNVBAGLBSA-N 1 2 222.288 2.460 20 30 BEEDLO C=CC[C@@H](CC)Nc1cc(NC)nc[nH+]1 ZINC000893683870 635447356 /nfs/dbraw/zinc/44/73/56/635447356.db2.gz MCIOYSPIRFZSBN-SECBINFHSA-N 1 2 206.293 2.285 20 30 BEEDLO C[C@@H](C[N@@H+]1CCO[C@](C)(C#N)C1)C(C)(C)C ZINC000933611592 631460262 /nfs/dbraw/zinc/46/02/62/631460262.db2.gz QZUNCTYJUWLXGA-WCQYABFASA-N 1 2 224.348 2.283 20 30 BEEDLO C[C@@H](C[N@H+]1CCO[C@](C)(C#N)C1)C(C)(C)C ZINC000933611592 631460266 /nfs/dbraw/zinc/46/02/66/631460266.db2.gz QZUNCTYJUWLXGA-WCQYABFASA-N 1 2 224.348 2.283 20 30 BEEDLO Cc1cc(C[NH+]2CCC(C#N)CC2)cnc1F ZINC000891851932 631520181 /nfs/dbraw/zinc/52/01/81/631520181.db2.gz DMBUVADARIKBNF-UHFFFAOYSA-N 1 2 233.290 2.265 20 30 BEEDLO COc1cc2c(c(C[NH2+]CCC#N)c1)O[C@@H](C)C2 ZINC000425958512 635654365 /nfs/dbraw/zinc/65/43/65/635654365.db2.gz GQVSGLYVJNTJFJ-JTQLQIEISA-N 1 2 246.310 2.022 20 30 BEEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1cncs1 ZINC000934194504 631725413 /nfs/dbraw/zinc/72/54/13/631725413.db2.gz XOUJKFIQKSUGCE-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc(C)n1C1CC1 ZINC000934459695 631850229 /nfs/dbraw/zinc/85/02/29/631850229.db2.gz HAXVDQCUCMPNDC-LLVKDONJSA-N 1 2 232.331 2.072 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(C)n1C1CC1 ZINC000934459695 631850234 /nfs/dbraw/zinc/85/02/34/631850234.db2.gz HAXVDQCUCMPNDC-LLVKDONJSA-N 1 2 232.331 2.072 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nnc(CC)[nH]1 ZINC000934459940 631851814 /nfs/dbraw/zinc/85/18/14/631851814.db2.gz NTKWGHCKXDCUPK-UWVGGRQHSA-N 1 2 220.320 2.079 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nnc(CC)[nH]1 ZINC000934459940 631851817 /nfs/dbraw/zinc/85/18/17/631851817.db2.gz NTKWGHCKXDCUPK-UWVGGRQHSA-N 1 2 220.320 2.079 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000934460203 631852335 /nfs/dbraw/zinc/85/23/35/631852335.db2.gz OODWFSHHJSYFNY-SNVBAGLBSA-N 1 2 219.313 2.165 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(C#N)cs1 ZINC000934460203 631852337 /nfs/dbraw/zinc/85/23/37/631852337.db2.gz OODWFSHHJSYFNY-SNVBAGLBSA-N 1 2 219.313 2.165 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc(C)n1CCC ZINC000934460343 631853802 /nfs/dbraw/zinc/85/38/02/631853802.db2.gz LKIHVOSOAYVIQY-LBPRGKRZSA-N 1 2 234.347 2.147 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc(C)n1CCC ZINC000934460343 631853807 /nfs/dbraw/zinc/85/38/07/631853807.db2.gz LKIHVOSOAYVIQY-LBPRGKRZSA-N 1 2 234.347 2.147 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1[C@H](C(N)=O)c1ccc(F)cc1 ZINC000934467646 631860092 /nfs/dbraw/zinc/86/00/92/631860092.db2.gz PJJGOSCDDYOQCN-STQMWFEESA-N 1 2 248.301 2.003 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C(N)=O)c1ccc(F)cc1 ZINC000934467646 631860094 /nfs/dbraw/zinc/86/00/94/631860094.db2.gz PJJGOSCDDYOQCN-STQMWFEESA-N 1 2 248.301 2.003 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(CCC)no1 ZINC000934472256 631865850 /nfs/dbraw/zinc/86/58/50/631865850.db2.gz QEONUXNTUYXTMF-SNVBAGLBSA-N 1 2 221.304 2.173 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(CCC)no1 ZINC000934472256 631865852 /nfs/dbraw/zinc/86/58/52/631865852.db2.gz QEONUXNTUYXTMF-SNVBAGLBSA-N 1 2 221.304 2.173 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(CC(C)C)no1 ZINC000934471803 631866768 /nfs/dbraw/zinc/86/67/68/631866768.db2.gz NYJUGWCVVIVTJQ-LLVKDONJSA-N 1 2 235.331 2.419 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(CC(C)C)no1 ZINC000934471803 631866773 /nfs/dbraw/zinc/86/67/73/631866773.db2.gz NYJUGWCVVIVTJQ-LLVKDONJSA-N 1 2 235.331 2.419 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccn(C(C)C)n1 ZINC000934512218 631894209 /nfs/dbraw/zinc/89/42/09/631894209.db2.gz HASQVOPBWMVGMX-AWEZNQCLSA-N 1 2 231.343 2.452 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccn(C(C)C)n1 ZINC000934512218 631894217 /nfs/dbraw/zinc/89/42/17/631894217.db2.gz HASQVOPBWMVGMX-AWEZNQCLSA-N 1 2 231.343 2.452 20 30 BEEDLO C=CC[N@@H+](CC(=O)OCC)[C@H]1C=CCCC1 ZINC000169230834 632525701 /nfs/dbraw/zinc/52/57/01/632525701.db2.gz JBYHFQPLFAITNT-LBPRGKRZSA-N 1 2 223.316 2.146 20 30 BEEDLO C=CC[N@H+](CC(=O)OCC)[C@H]1C=CCCC1 ZINC000169230834 632525705 /nfs/dbraw/zinc/52/57/05/632525705.db2.gz JBYHFQPLFAITNT-LBPRGKRZSA-N 1 2 223.316 2.146 20 30 BEEDLO CCCCCCCC(=O)NCc1c[nH+]cn1C ZINC000291244733 632652440 /nfs/dbraw/zinc/65/24/40/632652440.db2.gz OKXNJOQGKHKYSE-UHFFFAOYSA-N 1 2 237.347 2.397 20 30 BEEDLO C#CCCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180776266 633052276 /nfs/dbraw/zinc/05/22/76/633052276.db2.gz WUYMNXITBZFVNW-UHFFFAOYSA-N 1 2 240.262 2.052 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]\CC[C@@H]2CCOC2)c1 ZINC000783686035 633156376 /nfs/dbraw/zinc/15/63/76/633156376.db2.gz VLYIGZBBLNZGFC-PDICVPPASA-N 1 2 249.310 2.246 20 30 BEEDLO CCOCCC/[NH+]=C/c1ccccc1O ZINC000126767765 636025519 /nfs/dbraw/zinc/02/55/19/636025519.db2.gz YIOADLXQODAOHT-JLHYYAGUSA-N 1 2 207.273 2.238 20 30 BEEDLO CC[C@H]([NH2+][C@H]1CCOC1)c1cccc(C#N)c1O ZINC000925619003 634172270 /nfs/dbraw/zinc/17/22/70/634172270.db2.gz ZGIRMEQFQBSEOO-AAEUAGOBSA-N 1 2 246.310 2.093 20 30 BEEDLO Cc1conc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000259871457 635263325 /nfs/dbraw/zinc/26/33/25/635263325.db2.gz CQMRUTZPUAVWAB-NSHDSACASA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1conc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000259871457 635263330 /nfs/dbraw/zinc/26/33/30/635263330.db2.gz CQMRUTZPUAVWAB-NSHDSACASA-N 1 2 219.288 2.109 20 30 BEEDLO C=CCC(C)(C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896910775 636252986 /nfs/dbraw/zinc/25/29/86/636252986.db2.gz WYNOAUYSHWGBJV-UHFFFAOYSA-N 1 2 235.331 2.245 20 30 BEEDLO N#C[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000079829308 636859922 /nfs/dbraw/zinc/85/99/22/636859922.db2.gz AVJXNKKYIWWXDF-CYBMUJFWSA-N 1 2 230.311 2.301 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000079829308 636859927 /nfs/dbraw/zinc/85/99/27/636859927.db2.gz AVJXNKKYIWWXDF-CYBMUJFWSA-N 1 2 230.311 2.301 20 30 BEEDLO C=CCC(C)(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898908848 637065054 /nfs/dbraw/zinc/06/50/54/637065054.db2.gz CINCVPGESGVWCK-UHFFFAOYSA-N 1 2 249.358 2.337 20 30 BEEDLO Cc1[nH]c(/C=C2/C(=O)c3nccn3[C@@H]2C)[nH+]c1C ZINC000901566531 637261564 /nfs/dbraw/zinc/26/15/64/637261564.db2.gz UVQRWTJBFKKHEY-ZFZMKPAXSA-N 1 2 242.282 2.064 20 30 BEEDLO COc1cccc2c1OCCC[C@@H]2[NH2+]CCC#N ZINC000905436055 637814556 /nfs/dbraw/zinc/81/45/56/637814556.db2.gz VZNJNWAZYLWXPR-LBPRGKRZSA-N 1 2 246.310 2.412 20 30 BEEDLO CC[C@H](C)[C@H]([NH2+]CC(C)(C)CC#N)C(=O)OC ZINC000905772493 637927291 /nfs/dbraw/zinc/92/72/91/637927291.db2.gz OYRVKLQNXLNKGB-QWRGUYRKSA-N 1 2 240.347 2.104 20 30 BEEDLO C=CC[C@@H]([NH2+]C[C@H]1CCCC1(F)F)C(=O)OC ZINC000905771663 637927800 /nfs/dbraw/zinc/92/78/00/637927800.db2.gz VQBLOXDXDXPPGF-NXEZZACHSA-N 1 2 247.285 2.129 20 30 BEEDLO C#CCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906395687 638154296 /nfs/dbraw/zinc/15/42/96/638154296.db2.gz UWMHUKSVACGXBP-UHFFFAOYSA-N 1 2 230.311 2.102 20 30 BEEDLO Cc1cc(C)c(C(=O)NCCCC#N)c(C)[nH+]1 ZINC000907321065 638355268 /nfs/dbraw/zinc/35/52/68/638355268.db2.gz ODFLODCKIXHSBM-UHFFFAOYSA-N 1 2 231.299 2.040 20 30 BEEDLO C=C(C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907520915 638396748 /nfs/dbraw/zinc/39/67/48/638396748.db2.gz LYSYNROOJAHWKV-UHFFFAOYSA-N 1 2 218.300 2.313 20 30 BEEDLO C#C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC000907966840 638528672 /nfs/dbraw/zinc/52/86/72/638528672.db2.gz OXGAIDRCJVONIC-CYBMUJFWSA-N 1 2 244.338 2.394 20 30 BEEDLO C[C@@H]([NH2+]Cc1nncs1)c1cccc(C#N)c1 ZINC000930214797 639638025 /nfs/dbraw/zinc/63/80/25/639638025.db2.gz XCIVVYTWNIAKPJ-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)c1snnc1C ZINC000930693758 639864707 /nfs/dbraw/zinc/86/47/07/639864707.db2.gz TWKRURYNENHTHL-CBAPKCEASA-N 1 2 224.333 2.189 20 30 BEEDLO C#C[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000382438418 711478635 /nfs/dbraw/zinc/47/86/35/711478635.db2.gz QXOLSNDQLJATAX-SSDOTTSWSA-N 1 2 227.666 2.296 20 30 BEEDLO CC[N@H+](C[C@H](COC)C(C)C)[C@H](C)C#N ZINC000931057130 640035441 /nfs/dbraw/zinc/03/54/41/640035441.db2.gz VJIKCDAPSVVWQB-VXGBXAGGSA-N 1 2 212.337 2.139 20 30 BEEDLO CC[N@@H+](C[C@H](COC)C(C)C)[C@H](C)C#N ZINC000931057130 640035446 /nfs/dbraw/zinc/03/54/46/640035446.db2.gz VJIKCDAPSVVWQB-VXGBXAGGSA-N 1 2 212.337 2.139 20 30 BEEDLO CC[N@H+](C[C@H](COC)C(C)C)[C@@H](C)C#N ZINC000931057127 640046171 /nfs/dbraw/zinc/04/61/71/640046171.db2.gz VJIKCDAPSVVWQB-NWDGAFQWSA-N 1 2 212.337 2.139 20 30 BEEDLO CC[N@@H+](C[C@H](COC)C(C)C)[C@@H](C)C#N ZINC000931057127 640046174 /nfs/dbraw/zinc/04/61/74/640046174.db2.gz VJIKCDAPSVVWQB-NWDGAFQWSA-N 1 2 212.337 2.139 20 30 BEEDLO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932156937 640444780 /nfs/dbraw/zinc/44/47/80/640444780.db2.gz TXUCKMWCWZFSJP-HIFRSBDPSA-N 1 2 244.338 2.264 20 30 BEEDLO Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932156937 640444784 /nfs/dbraw/zinc/44/47/84/640444784.db2.gz TXUCKMWCWZFSJP-HIFRSBDPSA-N 1 2 244.338 2.264 20 30 BEEDLO C#CC[N@H+](Cc1ncc(C2CC2)o1)C(C)C ZINC000932388876 640517622 /nfs/dbraw/zinc/51/76/22/640517622.db2.gz YYCNKVYPAWBBRC-UHFFFAOYSA-N 1 2 218.300 2.396 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(C2CC2)o1)C(C)C ZINC000932388876 640517626 /nfs/dbraw/zinc/51/76/26/640517626.db2.gz YYCNKVYPAWBBRC-UHFFFAOYSA-N 1 2 218.300 2.396 20 30 BEEDLO C#CC[N@H+](CC(=O)c1cc(C)[nH]c1C)C(C)C ZINC000932395871 640518853 /nfs/dbraw/zinc/51/88/53/640518853.db2.gz KBYCTUIKINREJW-UHFFFAOYSA-N 1 2 232.327 2.158 20 30 BEEDLO C#CC[N@@H+](CC(=O)c1cc(C)[nH]c1C)C(C)C ZINC000932395871 640518857 /nfs/dbraw/zinc/51/88/57/640518857.db2.gz KBYCTUIKINREJW-UHFFFAOYSA-N 1 2 232.327 2.158 20 30 BEEDLO C#CC[N@H+](Cc1nc(CC2CC2)no1)C(C)(C)C ZINC000932462154 640535408 /nfs/dbraw/zinc/53/54/08/640535408.db2.gz PPGFUVYAPILXMW-UHFFFAOYSA-N 1 2 247.342 2.256 20 30 BEEDLO C#CC[N@@H+](Cc1nc(CC2CC2)no1)C(C)(C)C ZINC000932462154 640535413 /nfs/dbraw/zinc/53/54/13/640535413.db2.gz PPGFUVYAPILXMW-UHFFFAOYSA-N 1 2 247.342 2.256 20 30 BEEDLO C[C@]1([NH2+]CCC#N)CCOc2ccccc21 ZINC000933368249 640710157 /nfs/dbraw/zinc/71/01/57/640710157.db2.gz ZWNNJQYHNZKAOD-ZDUSSCGKSA-N 1 2 216.284 2.188 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1c(Cl)c(C)nn1C ZINC000167899824 640757657 /nfs/dbraw/zinc/75/76/57/640757657.db2.gz RPCRIWQKWRKGBA-UHFFFAOYSA-N 1 2 234.130 2.224 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)co1 ZINC000934510567 641178795 /nfs/dbraw/zinc/17/87/95/641178795.db2.gz AIHCUTBCFYSPDB-LBPRGKRZSA-N 1 2 247.294 2.054 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)co1 ZINC000934510567 641178798 /nfs/dbraw/zinc/17/87/98/641178798.db2.gz AIHCUTBCFYSPDB-LBPRGKRZSA-N 1 2 247.294 2.054 20 30 BEEDLO C#CCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934598937 641211321 /nfs/dbraw/zinc/21/13/21/641211321.db2.gz WYASYXOKSAMWRM-UHFFFAOYSA-N 1 2 241.294 2.096 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)C2CCC(=C)CC2)C1 ZINC001030900614 641410045 /nfs/dbraw/zinc/41/00/45/641410045.db2.gz UXMOAWVHGSJFNU-UHFFFAOYSA-N 1 2 248.370 2.109 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC)[C@H]1C ZINC000992930865 641679483 /nfs/dbraw/zinc/67/94/83/641679483.db2.gz JFJSJUNYIFSXDJ-GHMZBOCLSA-N 1 2 244.766 2.118 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC)[C@H]1C ZINC000992930865 641679488 /nfs/dbraw/zinc/67/94/88/641679488.db2.gz JFJSJUNYIFSXDJ-GHMZBOCLSA-N 1 2 244.766 2.118 20 30 BEEDLO NC(Cc1ccccc1)=[NH+]OCC[C@@H]1CCCO1 ZINC000189247668 641795556 /nfs/dbraw/zinc/79/55/56/641795556.db2.gz VULLIXHAYQRWMU-ZDUSSCGKSA-N 1 2 248.326 2.087 20 30 BEEDLO CC(C)CO[NH+]=C(N)Cc1ccccc1 ZINC000154505815 642112610 /nfs/dbraw/zinc/11/26/10/642112610.db2.gz CAWSIRQHZVRPLY-UHFFFAOYSA-N 1 2 206.289 2.174 20 30 BEEDLO CC#CCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000154862435 642288866 /nfs/dbraw/zinc/28/88/66/642288866.db2.gz JWSUUHSSXWUZIC-UHFFFAOYSA-N 1 2 234.274 2.184 20 30 BEEDLO C#C[C@@H](C)[NH2+]Cc1ncc(Br)s1 ZINC000307125068 642366566 /nfs/dbraw/zinc/36/65/66/642366566.db2.gz ZKVJUHYGESXEJJ-ZCFIWIBFSA-N 1 2 245.145 2.017 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC2CC2)o1 ZINC000933205473 642388206 /nfs/dbraw/zinc/38/82/06/642388206.db2.gz YNBVLRRRIZWEDB-LBPRGKRZSA-N 1 2 246.310 2.152 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2CC2CC2)o1 ZINC000933205473 642388217 /nfs/dbraw/zinc/38/82/17/642388217.db2.gz YNBVLRRRIZWEDB-LBPRGKRZSA-N 1 2 246.310 2.152 20 30 BEEDLO C#CCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000180446164 642799561 /nfs/dbraw/zinc/79/95/61/642799561.db2.gz CFPSMNZNSFSRAQ-UHFFFAOYSA-N 1 2 229.327 2.489 20 30 BEEDLO C=C(C)C[N@H+](C)Cn1c2ccccc2oc1=O ZINC000182629860 643046828 /nfs/dbraw/zinc/04/68/28/643046828.db2.gz ZKKGDPPMHKNUCN-UHFFFAOYSA-N 1 2 232.283 2.060 20 30 BEEDLO C=C(C)C[N@@H+](C)Cn1c2ccccc2oc1=O ZINC000182629860 643046833 /nfs/dbraw/zinc/04/68/33/643046833.db2.gz ZKKGDPPMHKNUCN-UHFFFAOYSA-N 1 2 232.283 2.060 20 30 BEEDLO C=C(Br)C[NH+]1CCC(C(C)=O)CC1 ZINC000082644746 643361310 /nfs/dbraw/zinc/36/13/10/643361310.db2.gz DFQQNOACGKKQOA-UHFFFAOYSA-N 1 2 246.148 2.196 20 30 BEEDLO C=CCCCC(=O)OCc1ccc[nH+]c1N ZINC000922505536 644006638 /nfs/dbraw/zinc/00/66/38/644006638.db2.gz QDBNARMVTUJBTC-UHFFFAOYSA-N 1 2 220.272 2.063 20 30 BEEDLO C#CCCCCCC(=O)OCc1ccc[nH+]c1N ZINC000922594857 644039036 /nfs/dbraw/zinc/03/90/36/644039036.db2.gz GEJCQZJZRSCVKX-UHFFFAOYSA-N 1 2 246.310 2.291 20 30 BEEDLO C=C[C@](C)(CC)C(=O)OCc1ccc[nH+]c1N ZINC000922633992 644046735 /nfs/dbraw/zinc/04/67/35/644046735.db2.gz BDHSHNSKYLICPV-CYBMUJFWSA-N 1 2 234.299 2.309 20 30 BEEDLO N#CCCCCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922733402 644082678 /nfs/dbraw/zinc/08/26/78/644082678.db2.gz PMUGGFZHSNAKNA-UHFFFAOYSA-N 1 2 247.298 2.181 20 30 BEEDLO CCc1onc(C)c1C[NH2+]Cc1ccc(C#N)o1 ZINC000922983829 644211066 /nfs/dbraw/zinc/21/10/66/644211066.db2.gz SBXQHBUWBWKKJK-UHFFFAOYSA-N 1 2 245.282 2.300 20 30 BEEDLO COc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000079828909 644213992 /nfs/dbraw/zinc/21/39/92/644213992.db2.gz NNGDQPIWVYGYKE-CYBMUJFWSA-N 1 2 230.311 2.431 20 30 BEEDLO COc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000079828909 644213996 /nfs/dbraw/zinc/21/39/96/644213996.db2.gz NNGDQPIWVYGYKE-CYBMUJFWSA-N 1 2 230.311 2.431 20 30 BEEDLO COC[C@@H](C)C/[NH+]=C/c1ccccc1O ZINC000194469127 644321828 /nfs/dbraw/zinc/32/18/28/644321828.db2.gz AWSZKVBZLWFKQP-XNFYSYIQSA-N 1 2 207.273 2.094 20 30 BEEDLO Cc1ncc(CO[NH+]=C(N)c2ccccc2)s1 ZINC000195166306 644363340 /nfs/dbraw/zinc/36/33/40/644363340.db2.gz DOQKQXWITDDBGW-UHFFFAOYSA-N 1 2 247.323 2.289 20 30 BEEDLO CCC(CC)C[N@H+](CCC#N)CC[S@](C)=O ZINC000827968755 645090177 /nfs/dbraw/zinc/09/01/77/645090177.db2.gz KEKQFESEEUWQBM-INIZCTEOSA-N 1 2 244.404 2.017 20 30 BEEDLO CCC(CC)C[N@@H+](CCC#N)CC[S@](C)=O ZINC000827968755 645090178 /nfs/dbraw/zinc/09/01/78/645090178.db2.gz KEKQFESEEUWQBM-INIZCTEOSA-N 1 2 244.404 2.017 20 30 BEEDLO C#CC1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000830301347 645118502 /nfs/dbraw/zinc/11/85/02/645118502.db2.gz JWDDLWMNLQIOFX-UHFFFAOYSA-N 1 2 233.315 2.038 20 30 BEEDLO COc1ccnc([C@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000926874806 645469429 /nfs/dbraw/zinc/46/94/29/645469429.db2.gz UKLPLJFNUYRKDR-JTQLQIEISA-N 1 2 233.315 2.291 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnc(F)c1 ZINC000859329288 645681991 /nfs/dbraw/zinc/68/19/91/645681991.db2.gz NNNMVIWRGQESPB-JTQLQIEISA-N 1 2 207.252 2.003 20 30 BEEDLO C#CC[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)C1CC1 ZINC000877371509 645792939 /nfs/dbraw/zinc/79/29/39/645792939.db2.gz ISXKHYQXMNIOFY-UHFFFAOYSA-N 1 2 242.278 2.131 20 30 BEEDLO C#CC[N@H+](Cc1cc2c(cc[nH]c2=O)o1)C1CC1 ZINC000877371509 645792942 /nfs/dbraw/zinc/79/29/42/645792942.db2.gz ISXKHYQXMNIOFY-UHFFFAOYSA-N 1 2 242.278 2.131 20 30 BEEDLO C#CC[N@H+](Cc1ccnn1CC1CCC1)C1CC1 ZINC000877371896 645793700 /nfs/dbraw/zinc/79/37/00/645793700.db2.gz PRYROPNAPUQKFN-UHFFFAOYSA-N 1 2 243.354 2.281 20 30 BEEDLO C#CC[N@@H+](Cc1ccnn1CC1CCC1)C1CC1 ZINC000877371896 645793712 /nfs/dbraw/zinc/79/37/12/645793712.db2.gz PRYROPNAPUQKFN-UHFFFAOYSA-N 1 2 243.354 2.281 20 30 BEEDLO C#CC1CCN(c2cc[nH+]cc2F)CC1 ZINC000882516422 645842875 /nfs/dbraw/zinc/84/28/75/645842875.db2.gz CPEMMARRAPXPBS-UHFFFAOYSA-N 1 2 204.248 2.070 20 30 BEEDLO C=C1CC(c2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)C1 ZINC000924122479 645987389 /nfs/dbraw/zinc/98/73/89/645987389.db2.gz JOVMPXOXKWEPKQ-NXEZZACHSA-N 1 2 242.282 2.497 20 30 BEEDLO CC[C@H]([NH2+]CCCOC)c1cccc(C#N)c1O ZINC000924536026 646054043 /nfs/dbraw/zinc/05/40/43/646054043.db2.gz LAGIHIDEJUPMTA-ZDUSSCGKSA-N 1 2 248.326 2.341 20 30 BEEDLO Cc1cccc([C@H](O)C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000929830260 646347271 /nfs/dbraw/zinc/34/72/71/646347271.db2.gz CSURFGPHVOPPSN-GXTWGEPZSA-N 1 2 232.327 2.262 20 30 BEEDLO Cc1cccc([C@H](O)C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000929830260 646347273 /nfs/dbraw/zinc/34/72/73/646347273.db2.gz CSURFGPHVOPPSN-GXTWGEPZSA-N 1 2 232.327 2.262 20 30 BEEDLO C#C[C@H](CC)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724359270 710739033 /nfs/dbraw/zinc/73/90/33/710739033.db2.gz VWRZSOLWBWZKFL-SNVBAGLBSA-N 1 2 220.316 2.474 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC)CC[C@H]1C ZINC001071278744 711183180 /nfs/dbraw/zinc/18/31/80/711183180.db2.gz IPNJQGBVRZGONC-GHMZBOCLSA-N 1 2 244.766 2.118 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC)CC[C@H]1C ZINC001071278744 711183182 /nfs/dbraw/zinc/18/31/82/711183182.db2.gz IPNJQGBVRZGONC-GHMZBOCLSA-N 1 2 244.766 2.118 20 30 BEEDLO C#C[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724437531 711580249 /nfs/dbraw/zinc/58/02/49/711580249.db2.gz IZWBQBYDLIYTNU-SECBINFHSA-N 1 2 206.289 2.083 20 30 BEEDLO C#C[C@H](C)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724437533 711580323 /nfs/dbraw/zinc/58/03/23/711580323.db2.gz IZWBQBYDLIYTNU-VIFPVBQESA-N 1 2 206.289 2.083 20 30 BEEDLO CCO[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000701699114 712027919 /nfs/dbraw/zinc/02/79/19/712027919.db2.gz HONHNVCWPYAJKM-AWEZNQCLSA-N 1 2 248.301 2.308 20 30 BEEDLO CCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000701699114 712027920 /nfs/dbraw/zinc/02/79/20/712027920.db2.gz HONHNVCWPYAJKM-AWEZNQCLSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@]1(C(F)(F)F)CC[N@H+](CCC#N)C1 ZINC000708707533 712197597 /nfs/dbraw/zinc/19/75/97/712197597.db2.gz QQLMKVFIFSEUJO-MRVPVSSYSA-N 1 2 206.211 2.174 20 30 BEEDLO C[C@@]1(C(F)(F)F)CC[N@@H+](CCC#N)C1 ZINC000708707533 712197599 /nfs/dbraw/zinc/19/75/99/712197599.db2.gz QQLMKVFIFSEUJO-MRVPVSSYSA-N 1 2 206.211 2.174 20 30 BEEDLO C=CC[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000715023480 712503864 /nfs/dbraw/zinc/50/38/64/712503864.db2.gz MXVVWCJRIZQPAZ-QMMMGPOBSA-N 1 2 209.318 2.424 20 30 BEEDLO C[C@H](CC(=O)OC1(CC#N)CCC1)n1cc[nH+]c1 ZINC000845555776 712607002 /nfs/dbraw/zinc/60/70/02/712607002.db2.gz LAKKYILZPCFVGK-LLVKDONJSA-N 1 2 247.298 2.214 20 30 BEEDLO C#C[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000848923657 712610007 /nfs/dbraw/zinc/61/00/07/712610007.db2.gz HXURPJROFOFPDT-LLVKDONJSA-N 1 2 230.311 2.397 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000848923657 712610008 /nfs/dbraw/zinc/61/00/08/712610008.db2.gz HXURPJROFOFPDT-LLVKDONJSA-N 1 2 230.311 2.397 20 30 BEEDLO C#C[C@@H](CC)Nc1nc(C)[nH+]c(C)c1C ZINC000380166150 712704958 /nfs/dbraw/zinc/70/49/58/712704958.db2.gz DRXSKNOQRDOPKB-NSHDSACASA-N 1 2 203.289 2.226 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000932152322 712715541 /nfs/dbraw/zinc/71/55/41/712715541.db2.gz PDEGHDFNVQIZTG-GFCCVEGCSA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000932152322 712715542 /nfs/dbraw/zinc/71/55/42/712715542.db2.gz PDEGHDFNVQIZTG-GFCCVEGCSA-N 1 2 240.310 2.298 20 30 BEEDLO Cc1ncsc1CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932154861 712716185 /nfs/dbraw/zinc/71/61/85/712716185.db2.gz PNIWTKVUAMKQKI-NSHDSACASA-N 1 2 235.356 2.230 20 30 BEEDLO Cc1ncsc1CC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932154861 712716186 /nfs/dbraw/zinc/71/61/86/712716186.db2.gz PNIWTKVUAMKQKI-NSHDSACASA-N 1 2 235.356 2.230 20 30 BEEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)CCC)C1 ZINC001269209794 962541746 /nfs/dbraw/zinc/54/17/46/962541746.db2.gz YRLMHFXJNUWDGC-NSHDSACASA-N 1 2 244.766 2.072 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)CCC)C1 ZINC001269209794 962541765 /nfs/dbraw/zinc/54/17/65/962541765.db2.gz YRLMHFXJNUWDGC-NSHDSACASA-N 1 2 244.766 2.072 20 30 BEEDLO CC(=O)C=C(C)Nc1cccc(N(C)C)[nH+]1 ZINC001155887887 963195060 /nfs/dbraw/zinc/19/50/60/963195060.db2.gz TULYZCATHKYJMN-HJWRWDBZSA-N 1 2 219.288 2.052 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1ccc(O)c(O)c1 ZINC001203882499 966808585 /nfs/dbraw/zinc/80/85/85/966808585.db2.gz JKHVVTXLVOCCDL-UHFFFAOYSA-N 1 2 234.299 2.223 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1ccc(O)c(O)c1 ZINC001203882499 966808593 /nfs/dbraw/zinc/80/85/93/966808593.db2.gz JKHVVTXLVOCCDL-UHFFFAOYSA-N 1 2 234.299 2.223 20 30 BEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)/C(C)=C/C ZINC001691014228 1165822617 /nfs/dbraw/zinc/82/26/17/1165822617.db2.gz NEUQOIKWEMERPT-BJMVGYQFSA-N 1 2 244.766 2.143 20 30 BEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)/C(C)=C/C ZINC001691014228 1165822625 /nfs/dbraw/zinc/82/26/25/1165822625.db2.gz NEUQOIKWEMERPT-BJMVGYQFSA-N 1 2 244.766 2.143 20 30 BEEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)/C(C)=C\C ZINC001691014229 1165824119 /nfs/dbraw/zinc/82/41/19/1165824119.db2.gz NEUQOIKWEMERPT-YHYXMXQVSA-N 1 2 244.766 2.143 20 30 BEEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)/C(C)=C\C ZINC001691014229 1165824122 /nfs/dbraw/zinc/82/41/22/1165824122.db2.gz NEUQOIKWEMERPT-YHYXMXQVSA-N 1 2 244.766 2.143 20 30 BEEDLO Cc1[nH+]cc(Nc2ccc(O)cc2C#N)cc1N ZINC001210289348 1165866294 /nfs/dbraw/zinc/86/62/94/1165866294.db2.gz HILXJNNWLRYQJD-UHFFFAOYSA-N 1 2 240.266 2.293 20 30 BEEDLO C[C@H]1CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000706740194 1166006370 /nfs/dbraw/zinc/00/63/70/1166006370.db2.gz WGDCLLOPMDOEBW-VIFPVBQESA-N 1 2 204.248 2.292 20 30 BEEDLO C[C@H]1CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000706740194 1166006376 /nfs/dbraw/zinc/00/63/76/1166006376.db2.gz WGDCLLOPMDOEBW-VIFPVBQESA-N 1 2 204.248 2.292 20 30 BEEDLO Cc1c[nH+]c(C)c(Nc2cncc(C#N)n2)c1 ZINC000404689955 1166375302 /nfs/dbraw/zinc/37/53/02/1166375302.db2.gz IODGZRQNYINAJS-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO CO[C@@H]1CCC[C@@H]([N@@H+]2CCCC[C@H]2C#N)C1 ZINC000250486531 1166404313 /nfs/dbraw/zinc/40/43/13/1166404313.db2.gz ZHBXISSUZHHCQI-FRRDWIJNSA-N 1 2 222.332 2.322 20 30 BEEDLO CO[C@@H]1CCC[C@@H]([N@H+]2CCCC[C@H]2C#N)C1 ZINC000250486531 1166404317 /nfs/dbraw/zinc/40/43/17/1166404317.db2.gz ZHBXISSUZHHCQI-FRRDWIJNSA-N 1 2 222.332 2.322 20 30 BEEDLO C=CCCCCC[N@@H+]1Cc2cnn(C)c2C1 ZINC001209427175 969494939 /nfs/dbraw/zinc/49/49/39/969494939.db2.gz IQIXVFJIIPZZDZ-UHFFFAOYSA-N 1 2 219.332 2.482 20 30 BEEDLO C=CCCCCC[N@H+]1Cc2cnn(C)c2C1 ZINC001209427175 969494950 /nfs/dbraw/zinc/49/49/50/969494950.db2.gz IQIXVFJIIPZZDZ-UHFFFAOYSA-N 1 2 219.332 2.482 20 30 BEEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC)C1 ZINC001731370181 1166431067 /nfs/dbraw/zinc/43/10/67/1166431067.db2.gz GDXQCYUITGKQDG-LLVKDONJSA-N 1 2 244.766 2.120 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC)C1 ZINC001731370181 1166431070 /nfs/dbraw/zinc/43/10/70/1166431070.db2.gz GDXQCYUITGKQDG-LLVKDONJSA-N 1 2 244.766 2.120 20 30 BEEDLO CCC(CC)([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OC ZINC001254655307 969766557 /nfs/dbraw/zinc/76/65/57/969766557.db2.gz ZZCPMIADJSFPRN-QWRGUYRKSA-N 1 2 238.331 2.000 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC001255152504 969955767 /nfs/dbraw/zinc/95/57/67/969955767.db2.gz VJDGAOKOQGRGJW-STQMWFEESA-N 1 2 236.290 2.141 20 30 BEEDLO CC[C@H](C#N)[NH2+][C@H](C)CCCCC(=O)OC ZINC001173442139 975378010 /nfs/dbraw/zinc/37/80/10/975378010.db2.gz GYUALSZYKLXGID-GHMZBOCLSA-N 1 2 226.320 2.000 20 30 BEEDLO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C(C)(C)C#N)C1 ZINC001173625712 975486313 /nfs/dbraw/zinc/48/63/13/975486313.db2.gz DYCROXWVCMCGNH-GHMZBOCLSA-N 1 2 238.331 2.000 20 30 BEEDLO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C#N)CC)C1 ZINC001173652287 975515903 /nfs/dbraw/zinc/51/59/03/975515903.db2.gz PYWPREIQABFMRL-GRYCIOLGSA-N 1 2 238.331 2.000 20 30 BEEDLO Cc1cc(C[NH2+][C@@H](C)CC#N)cnc1Cl ZINC000309017601 1167238127 /nfs/dbraw/zinc/23/81/27/1167238127.db2.gz VEHMBCRROBIDGF-VIFPVBQESA-N 1 2 223.707 2.435 20 30 BEEDLO Cc1[nH]c(CNC(=O)CCCCCC#N)[nH+]c1C ZINC000896910309 1167333850 /nfs/dbraw/zinc/33/38/50/1167333850.db2.gz PWLMHJWPMCENGN-UHFFFAOYSA-N 1 2 248.330 2.117 20 30 BEEDLO CCc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)n1 ZINC001235261907 1167784329 /nfs/dbraw/zinc/78/43/29/1167784329.db2.gz CLBDFKSRQJMBBA-CQSZACIVSA-N 1 2 229.327 2.380 20 30 BEEDLO CCc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)n1 ZINC001235261907 1167784339 /nfs/dbraw/zinc/78/43/39/1167784339.db2.gz CLBDFKSRQJMBBA-CQSZACIVSA-N 1 2 229.327 2.380 20 30 BEEDLO SC1CC[NH+](Cc2cncc(Cl)n2)CC1 ZINC001233449532 978607290 /nfs/dbraw/zinc/60/72/90/978607290.db2.gz HYBMSGNYBABWIN-UHFFFAOYSA-N 1 2 243.763 2.024 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccc(F)c(F)c1OC ZINC001238473459 980274363 /nfs/dbraw/zinc/27/43/63/980274363.db2.gz QOPTYSIMVMMCQO-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO C#CC[N@H+](C)Cc1ccc(F)c(F)c1OC ZINC001238473459 980274368 /nfs/dbraw/zinc/27/43/68/980274368.db2.gz QOPTYSIMVMMCQO-UHFFFAOYSA-N 1 2 225.238 2.038 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)OCCCCC)CC1 ZINC001193755408 981445239 /nfs/dbraw/zinc/44/52/39/981445239.db2.gz BFMWRAZKTHFDOK-UHFFFAOYSA-N 1 2 240.347 2.117 20 30 BEEDLO C=CCNN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000794998593 1168899096 /nfs/dbraw/zinc/89/90/96/1168899096.db2.gz NTNLTLKVMVZEQH-UHFFFAOYSA-N 1 2 240.310 2.372 20 30 BEEDLO C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)C=C(C)C ZINC001570696485 984025837 /nfs/dbraw/zinc/02/58/37/984025837.db2.gz ZVSWMSANQUKGQN-LLVKDONJSA-N 1 2 244.766 2.142 20 30 BEEDLO C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)C=C(C)C ZINC001570696485 984025850 /nfs/dbraw/zinc/02/58/50/984025850.db2.gz ZVSWMSANQUKGQN-LLVKDONJSA-N 1 2 244.766 2.142 20 30 BEEDLO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC1(F)F ZINC001171175438 972803611 /nfs/dbraw/zinc/80/36/11/972803611.db2.gz LCOOLPMMMDKUGD-BXKDBHETSA-N 1 2 236.265 2.486 20 30 BEEDLO N#Cc1c[nH]c2nccc(-c3ccc[nH+]c3N)c12 ZINC001243476357 970772640 /nfs/dbraw/zinc/77/26/40/970772640.db2.gz QFOQZTHSEGTCFC-UHFFFAOYSA-N 1 2 235.250 2.030 20 30 BEEDLO CCOC1CCC([N@H+](C)[C@@H](C)C#N)CC1 ZINC001256447479 970844228 /nfs/dbraw/zinc/84/42/28/970844228.db2.gz OMARGFLSPIZDSR-UNXYVOJBSA-N 1 2 210.321 2.178 20 30 BEEDLO CCOC1CCC([N@@H+](C)[C@@H](C)C#N)CC1 ZINC001256447479 970844234 /nfs/dbraw/zinc/84/42/34/970844234.db2.gz OMARGFLSPIZDSR-UNXYVOJBSA-N 1 2 210.321 2.178 20 30 BEEDLO C#Cc1cc(Nc2ccc(N)c(CC)c2)cc[nH+]1 ZINC001216037400 970910045 /nfs/dbraw/zinc/91/00/45/970910045.db2.gz ZYBMBGBHMKTVMZ-UHFFFAOYSA-N 1 2 237.306 2.373 20 30 BEEDLO C#CCCCNc1cc(N)cc(Cl)[nH+]1 ZINC000306485598 970933571 /nfs/dbraw/zinc/93/35/71/970933571.db2.gz NXAQFRWWJOKPJF-UHFFFAOYSA-N 1 2 209.680 2.143 20 30 BEEDLO C#Cc1cc(Nc2cc(C)cc(C)c2N)cc[nH+]1 ZINC001216095819 970939126 /nfs/dbraw/zinc/93/91/26/970939126.db2.gz PILKQKCDNLHSGN-UHFFFAOYSA-N 1 2 237.306 2.427 20 30 BEEDLO CC(C)[C@@](C)(C#N)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001257074667 971090723 /nfs/dbraw/zinc/09/07/23/971090723.db2.gz SDVSPWJZVDEKON-NQBHXWOUSA-N 1 2 224.348 2.470 20 30 BEEDLO C[Si](C)(C)C#C[NH2+]Cc1nccc(Cl)n1 ZINC001170545679 971147108 /nfs/dbraw/zinc/14/71/08/971147108.db2.gz GJWIAWPYEALTEK-UHFFFAOYSA-N 1 2 239.782 2.058 20 30 BEEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H](C)CCC)C(=O)OCC ZINC001257310010 971202955 /nfs/dbraw/zinc/20/29/55/971202955.db2.gz OOCFHFKGZDDKPJ-WZRBSPASSA-N 1 2 225.332 2.272 20 30 BEEDLO CCCC(CCC)[NH2+][C@@H](CS)C(=O)OCC ZINC001257327741 971232833 /nfs/dbraw/zinc/23/28/33/971232833.db2.gz AOHKOTXXEQWZBN-NSHDSACASA-N 1 2 247.404 2.406 20 30 BEEDLO N#CCOc1ccc(Nc2[nH+]cccc2N)cc1 ZINC001212604950 971251021 /nfs/dbraw/zinc/25/10/21/971251021.db2.gz DFTNFERHJRMXCA-UHFFFAOYSA-N 1 2 240.266 2.310 20 30 BEEDLO O=C1C=C2C[N@H+](C3CCCC3)CCC2S1 ZINC001257351218 971260400 /nfs/dbraw/zinc/26/04/00/971260400.db2.gz XRMUCWIPPXRYPI-LLVKDONJSA-N 1 2 223.341 2.203 20 30 BEEDLO O=C1C=C2C[N@@H+](C3CCCC3)CCC2S1 ZINC001257351218 971260405 /nfs/dbraw/zinc/26/04/05/971260405.db2.gz XRMUCWIPPXRYPI-LLVKDONJSA-N 1 2 223.341 2.203 20 30 BEEDLO O=C1C=C2C[N@H+](C3CCCC3)CC[C@H]2S1 ZINC001257351218 971260410 /nfs/dbraw/zinc/26/04/10/971260410.db2.gz XRMUCWIPPXRYPI-LLVKDONJSA-N 1 2 223.341 2.203 20 30 BEEDLO O=C1C=C2C[N@@H+](C3CCCC3)CC[C@H]2S1 ZINC001257351218 971260416 /nfs/dbraw/zinc/26/04/16/971260416.db2.gz XRMUCWIPPXRYPI-LLVKDONJSA-N 1 2 223.341 2.203 20 30 BEEDLO CCCCC[C@@H](C)[NH2+][C@@H](CS)C(=O)OC ZINC001257501687 971419765 /nfs/dbraw/zinc/41/97/65/971419765.db2.gz KTHSSCFUXLWRQY-ZJUUUORDSA-N 1 2 233.377 2.016 20 30 BEEDLO C=C[C@@H](CO)Nc1[nH+]c(C)cc(Cl)c1C ZINC001158814336 971472727 /nfs/dbraw/zinc/47/27/27/971472727.db2.gz DRIKCYQILAVGAV-VIFPVBQESA-N 1 2 226.707 2.311 20 30 BEEDLO N#CCCCC(=O)OCc1cccc2[nH+]ccn21 ZINC000813078710 971574930 /nfs/dbraw/zinc/57/49/30/971574930.db2.gz PLMFTKJFMIJLJU-UHFFFAOYSA-N 1 2 243.266 2.071 20 30 BEEDLO C#C[C@@H](CC(C)C)Oc1cc(N)cc[nH+]1 ZINC001218355753 971727258 /nfs/dbraw/zinc/72/72/58/971727258.db2.gz LVCMNJPDELHVCI-NSHDSACASA-N 1 2 204.273 2.091 20 30 BEEDLO CC(C)(S)CNc1cc(N)cc(Cl)[nH+]1 ZINC001159266182 971796865 /nfs/dbraw/zinc/79/68/65/971796865.db2.gz DYXZEHPPFFFCRW-UHFFFAOYSA-N 1 2 231.752 2.438 20 30 BEEDLO CC(C)C[C@@H](C#N)[NH2+][C@@H]1CCCOCC1 ZINC001170792431 971832959 /nfs/dbraw/zinc/83/29/59/971832959.db2.gz NKJMZZRCZHMAKE-NEPJUHHUSA-N 1 2 210.321 2.083 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+][C@H]1CCCOCC1 ZINC001170800312 971844400 /nfs/dbraw/zinc/84/44/00/971844400.db2.gz YEFTVJJRPZJMIH-NWDGAFQWSA-N 1 2 210.321 2.227 20 30 BEEDLO CC(C)C[C@](C)(C#N)[NH2+][C@@H]1CCCOCC1 ZINC001170801503 971847655 /nfs/dbraw/zinc/84/76/55/971847655.db2.gz WLUVRUUKPCQLLD-CHWSQXEVSA-N 1 2 224.348 2.473 20 30 BEEDLO N#Cc1cncc(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001144074634 972546096 /nfs/dbraw/zinc/54/60/96/972546096.db2.gz XJGMYMRGAKVFHH-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1cncc(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001144074634 972546105 /nfs/dbraw/zinc/54/61/05/972546105.db2.gz XJGMYMRGAKVFHH-ZDUSSCGKSA-N 1 2 233.290 2.277 20 30 BEEDLO N#CCc1cccc(Nc2ccc(N)[nH+]c2)c1 ZINC000313414314 972082106 /nfs/dbraw/zinc/08/21/06/972082106.db2.gz XUYRLFHEFCALDV-UHFFFAOYSA-N 1 2 224.267 2.473 20 30 BEEDLO Cc1nc2c(ccn2C)c(NCCCS)[nH+]1 ZINC001171001211 972221234 /nfs/dbraw/zinc/22/12/34/972221234.db2.gz UNPIUHZOVMFSHS-UHFFFAOYSA-N 1 2 236.344 2.009 20 30 BEEDLO SCCCNc1ccn2cc[nH+]c2c1 ZINC001171003534 972230531 /nfs/dbraw/zinc/23/05/31/972230531.db2.gz DKUWZKQJKGDPRA-UHFFFAOYSA-N 1 2 207.302 2.066 20 30 BEEDLO C#Cc1nccnc1Nc1c[nH+]c(C)cc1C ZINC001213505542 957002016 /nfs/dbraw/zinc/00/20/16/957002016.db2.gz IKDWKDXSBAYMSK-UHFFFAOYSA-N 1 2 224.267 2.213 20 30 BEEDLO C#Cc1cc(Nc2cccc(F)c2O)cc[nH+]1 ZINC001210195928 957661871 /nfs/dbraw/zinc/66/18/71/957661871.db2.gz MUJIZXKDEJELTA-UHFFFAOYSA-N 1 2 228.226 2.073 20 30 BEEDLO Cc1ccnc(C#N)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210288693 957716725 /nfs/dbraw/zinc/71/67/25/957716725.db2.gz SJRXLOZSEJNZSQ-UHFFFAOYSA-N 1 2 239.282 2.291 20 30 BEEDLO C#Cc1cc(Nc2ccc([C@H](C)O)cc2)cc[nH+]1 ZINC001210641765 957838201 /nfs/dbraw/zinc/83/82/01/957838201.db2.gz WNAZOEOWBUIZMS-NSHDSACASA-N 1 2 238.290 2.282 20 30 BEEDLO Cc1cccn2c(CN3CCC[C@H]3C#N)c[nH+]c12 ZINC001136958395 972306219 /nfs/dbraw/zinc/30/62/19/972306219.db2.gz PPMGWWDSOCIVKW-LBPRGKRZSA-N 1 2 240.310 2.131 20 30 BEEDLO Cc1c[nH+]cc(Nc2ncc(C#N)nc2C)c1C ZINC001213525424 958205816 /nfs/dbraw/zinc/20/58/16/958205816.db2.gz WGMFFTPNYUIMJT-UHFFFAOYSA-N 1 2 239.282 2.412 20 30 BEEDLO C=CC[NH+]1CC(NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001267667232 960184342 /nfs/dbraw/zinc/18/43/42/960184342.db2.gz QFRIZTPOTVDNCQ-GFCCVEGCSA-N 1 2 238.375 2.045 20 30 BEEDLO C=CC[NH+]1CC(NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001267667267 960185421 /nfs/dbraw/zinc/18/54/21/960185421.db2.gz QWLUQABCTOHUIW-LBPRGKRZSA-N 1 2 238.375 2.045 20 30 BEEDLO C=CC[NH+]1CC(NC(=O)C[C@H](CC)C(C)C)C1 ZINC001267667233 960186466 /nfs/dbraw/zinc/18/64/66/960186466.db2.gz QFRIZTPOTVDNCQ-LBPRGKRZSA-N 1 2 238.375 2.045 20 30 BEEDLO Cc1c[nH]c(C[N@@H+]2CC[C@](C)(C#N)C2)c1C ZINC001140864468 960650481 /nfs/dbraw/zinc/65/04/81/960650481.db2.gz SXLYQNOOMDRUJS-CYBMUJFWSA-N 1 2 217.316 2.367 20 30 BEEDLO Cc1c[nH]c(C[N@H+]2CC[C@](C)(C#N)C2)c1C ZINC001140864468 960650492 /nfs/dbraw/zinc/65/04/92/960650492.db2.gz SXLYQNOOMDRUJS-CYBMUJFWSA-N 1 2 217.316 2.367 20 30 BEEDLO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)[nH]n1 ZINC001203080690 960712391 /nfs/dbraw/zinc/71/23/91/960712391.db2.gz BMLKVGGXAHEIPJ-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)[nH]n1 ZINC001203080690 960712402 /nfs/dbraw/zinc/71/24/02/960712402.db2.gz BMLKVGGXAHEIPJ-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1nccnc1C[N@H+](CCC#N)C1CCCC1 ZINC001140937398 960729633 /nfs/dbraw/zinc/72/96/33/960729633.db2.gz CUDFULKWAWOMRA-UHFFFAOYSA-N 1 2 244.342 2.443 20 30 BEEDLO Cc1nccnc1C[N@@H+](CCC#N)C1CCCC1 ZINC001140937398 960729647 /nfs/dbraw/zinc/72/96/47/960729647.db2.gz CUDFULKWAWOMRA-UHFFFAOYSA-N 1 2 244.342 2.443 20 30 BEEDLO C[C@@H](C#N)N(C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243780 961020301 /nfs/dbraw/zinc/02/03/01/961020301.db2.gz WKDOYLAGFFFVAT-LBPRGKRZSA-N 1 2 240.310 2.216 20 30 BEEDLO N#CCc1cc2ccccc2nc1NC=[NH2+] ZINC001167865795 961345080 /nfs/dbraw/zinc/34/50/80/961345080.db2.gz ZKLCKIYMRKQRIF-UHFFFAOYSA-N 1 2 210.240 2.320 20 30 BEEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1F ZINC001143166485 961905715 /nfs/dbraw/zinc/90/57/15/961905715.db2.gz JCKYTPBCSHBYJO-AOOOYVTPSA-N 1 2 234.249 2.288 20 30 BEEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1F ZINC001143166485 961905723 /nfs/dbraw/zinc/90/57/23/961905723.db2.gz JCKYTPBCSHBYJO-AOOOYVTPSA-N 1 2 234.249 2.288 20 30 BEEDLO O=C1C=C2C[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)CCC2S1 ZINC001167928061 962029183 /nfs/dbraw/zinc/02/91/83/962029183.db2.gz PCOVNGDYOWFPEP-QCMRWSPLSA-N 1 2 235.352 2.059 20 30 BEEDLO O=C1C=C2C[N@@H+]([C@@H]3C[C@H]4C[C@H]4C3)CCC2S1 ZINC001167928061 962029204 /nfs/dbraw/zinc/02/92/04/962029204.db2.gz PCOVNGDYOWFPEP-QCMRWSPLSA-N 1 2 235.352 2.059 20 30 BEEDLO O=C1C=C2C[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)CC[C@@H]2S1 ZINC001167928061 962029227 /nfs/dbraw/zinc/02/92/27/962029227.db2.gz PCOVNGDYOWFPEP-QCMRWSPLSA-N 1 2 235.352 2.059 20 30 BEEDLO O=C1C=C2C[N@@H+]([C@@H]3C[C@H]4C[C@H]4C3)CC[C@@H]2S1 ZINC001167928061 962029245 /nfs/dbraw/zinc/02/92/45/962029245.db2.gz PCOVNGDYOWFPEP-QCMRWSPLSA-N 1 2 235.352 2.059 20 30 BEEDLO N#Cc1ccc(Nc2ccc(N)[nH+]c2)c(F)c1 ZINC000168230535 962839516 /nfs/dbraw/zinc/83/95/16/962839516.db2.gz FKVAQZVIBDDBAD-UHFFFAOYSA-N 1 2 228.230 2.418 20 30 BEEDLO N#CCc1cc[nH+]c(NCc2ccccc2N)c1 ZINC001155984869 963226068 /nfs/dbraw/zinc/22/60/68/963226068.db2.gz VFZMBZDDLKLBAM-UHFFFAOYSA-N 1 2 238.294 2.342 20 30 BEEDLO N#CCc1cc[nH+]c(NC[C@H]2CCCCO2)c1 ZINC001156378430 963325800 /nfs/dbraw/zinc/32/58/00/963325800.db2.gz ZUAHDCYUHRWQEM-GFCCVEGCSA-N 1 2 231.299 2.129 20 30 BEEDLO N#CCc1cc[nH+]c(NC[C@@H]2CCCCO2)c1 ZINC001156378431 963327215 /nfs/dbraw/zinc/32/72/15/963327215.db2.gz ZUAHDCYUHRWQEM-LBPRGKRZSA-N 1 2 231.299 2.129 20 30 BEEDLO C=C(C)C(=O)OCCNc1ccc(C2CC2)c[nH+]1 ZINC001168073536 963606852 /nfs/dbraw/zinc/60/68/52/963606852.db2.gz LQCAHXBICSTMNI-UHFFFAOYSA-N 1 2 246.310 2.490 20 30 BEEDLO C#CCN(CC#C)c1cccc(C2CC2)[nH+]1 ZINC001157564359 963667336 /nfs/dbraw/zinc/66/73/36/963667336.db2.gz WGTZKKWHPKVOCU-UHFFFAOYSA-N 1 2 210.280 2.032 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168103933 963718552 /nfs/dbraw/zinc/71/85/52/963718552.db2.gz TXYXNHBHELLIMU-SDDRHHMPSA-N 1 2 210.321 2.226 20 30 BEEDLO C=CCCC(=O)N(C)CC[N@H+](C)CC(=C)Cl ZINC001271977379 963725699 /nfs/dbraw/zinc/72/56/99/963725699.db2.gz NYHCCNCEDIQQFO-UHFFFAOYSA-N 1 2 244.766 2.095 20 30 BEEDLO C=CCCC(=O)N(C)CC[N@@H+](C)CC(=C)Cl ZINC001271977379 963725704 /nfs/dbraw/zinc/72/57/04/963725704.db2.gz NYHCCNCEDIQQFO-UHFFFAOYSA-N 1 2 244.766 2.095 20 30 BEEDLO C=C[C@@H](CO)Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001158814997 963933013 /nfs/dbraw/zinc/93/30/13/963933013.db2.gz YPSYDGXACOFNAL-LBPRGKRZSA-N 1 2 239.278 2.065 20 30 BEEDLO Nc1[nH+]c(NCCCS)ccc1Cl ZINC001159871628 964210078 /nfs/dbraw/zinc/21/00/78/964210078.db2.gz MVJLTWADIIEEBK-UHFFFAOYSA-N 1 2 217.725 2.049 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)[C@]2(C)CC=CCC2)CC1 ZINC001142545270 964377166 /nfs/dbraw/zinc/37/71/66/964377166.db2.gz XVFWYXXSFGEZJJ-OAHLLOKOSA-N 1 2 248.370 2.063 20 30 BEEDLO CC#Cc1cncc(NCCCn2cc[nH+]c2)c1 ZINC001161688299 964687691 /nfs/dbraw/zinc/68/76/91/964687691.db2.gz OGFHSSIQDFZQFI-UHFFFAOYSA-N 1 2 240.310 2.152 20 30 BEEDLO Cc1oncc1CNc1[nH+]cccc1CC#N ZINC001162266315 964896630 /nfs/dbraw/zinc/89/66/30/964896630.db2.gz FJOZKMJWAQOMFV-UHFFFAOYSA-N 1 2 228.255 2.056 20 30 BEEDLO C#CCNc1cccc(Cc2ccncc2)[nH+]1 ZINC001163362165 965359957 /nfs/dbraw/zinc/35/99/57/965359957.db2.gz MNAYDKZHBISLSN-UHFFFAOYSA-N 1 2 223.279 2.113 20 30 BEEDLO N#CCc1ccc[nH+]c1NCCn1cccc1 ZINC001164439439 965883462 /nfs/dbraw/zinc/88/34/62/965883462.db2.gz TWSPLNHVFIJETR-UHFFFAOYSA-N 1 2 226.283 2.061 20 30 BEEDLO N#CCc1ccc[nH+]c1NC[C@@H]1CCCCO1 ZINC001164655866 965941543 /nfs/dbraw/zinc/94/15/43/965941543.db2.gz HATHIZQFLJIUOZ-LBPRGKRZSA-N 1 2 231.299 2.129 20 30 BEEDLO CCc1cn(Cc2cc(C#N)ccc2OC)c[nH+]1 ZINC001166823516 966426927 /nfs/dbraw/zinc/42/69/27/966426927.db2.gz VQSHQFXBAIFQRK-UHFFFAOYSA-N 1 2 241.294 2.374 20 30 BEEDLO C#C[C@H]1CCCN(c2[nH+]c(C)ccc2OC)C1 ZINC001167005917 966516213 /nfs/dbraw/zinc/51/62/13/966516213.db2.gz NIDZJNZHWKXFAJ-LBPRGKRZSA-N 1 2 230.311 2.248 20 30 BEEDLO Cc1ccc(Nc2oncc2C#N)c(C)[nH+]1 ZINC001203366768 966608846 /nfs/dbraw/zinc/60/88/46/966608846.db2.gz DFYFFCIZTJFXHS-UHFFFAOYSA-N 1 2 214.228 2.302 20 30 BEEDLO Cc1ccc(Nc2cnc(C#N)nc2)c(C)[nH+]1 ZINC001203370836 966618656 /nfs/dbraw/zinc/61/86/56/966618656.db2.gz WHIDQARYOYSGHU-UHFFFAOYSA-N 1 2 225.255 2.104 20 30 BEEDLO CCc1cc(C[NH+]2CC(C)(OC)C2)ccc1C#N ZINC001238766475 966780493 /nfs/dbraw/zinc/78/04/93/966780493.db2.gz MEWHZRYDTUZSMP-UHFFFAOYSA-N 1 2 244.338 2.341 20 30 BEEDLO CCOc1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001203968898 966831571 /nfs/dbraw/zinc/83/15/71/966831571.db2.gz PTZYMDUSGVHBBA-CYBMUJFWSA-N 1 2 230.311 2.431 20 30 BEEDLO CCOc1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001203968898 966831578 /nfs/dbraw/zinc/83/15/78/966831578.db2.gz PTZYMDUSGVHBBA-CYBMUJFWSA-N 1 2 230.311 2.431 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(O)c(OC)c1 ZINC001204114974 966895744 /nfs/dbraw/zinc/89/57/44/966895744.db2.gz CBFNMLHGYVHMAI-UHFFFAOYSA-N 1 2 234.299 2.136 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(O)c(OC)c1 ZINC001204114974 966895748 /nfs/dbraw/zinc/89/57/48/966895748.db2.gz CBFNMLHGYVHMAI-UHFFFAOYSA-N 1 2 234.299 2.136 20 30 BEEDLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccccc1C#N ZINC001204366772 966978877 /nfs/dbraw/zinc/97/88/77/966978877.db2.gz RXKVVPUDXVAMCF-ZWNOBZJWSA-N 1 2 218.275 2.491 20 30 BEEDLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccccc1C#N ZINC001204366772 966978882 /nfs/dbraw/zinc/97/88/82/966978882.db2.gz RXKVVPUDXVAMCF-ZWNOBZJWSA-N 1 2 218.275 2.491 20 30 BEEDLO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccccc1C#N ZINC001204371570 966985017 /nfs/dbraw/zinc/98/50/17/966985017.db2.gz LFHNVEBFRZIMIC-HNNXBMFYSA-N 1 2 244.338 2.415 20 30 BEEDLO CC(C)[C@@H]1COCC[N@H+]1Cc1ccccc1C#N ZINC001204371570 966985028 /nfs/dbraw/zinc/98/50/28/966985028.db2.gz LFHNVEBFRZIMIC-HNNXBMFYSA-N 1 2 244.338 2.415 20 30 BEEDLO C#Cc1cc(Nc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001204407826 966990999 /nfs/dbraw/zinc/99/09/99/966990999.db2.gz SYSWSEJPAJBQHV-UHFFFAOYSA-N 1 2 239.234 2.137 20 30 BEEDLO N#Cc1ccc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001204959116 967257616 /nfs/dbraw/zinc/25/76/16/967257616.db2.gz FUYWZNFCLAOGOO-UHFFFAOYSA-N 1 2 235.250 2.345 20 30 BEEDLO COc1cc(C)cc(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001143157066 967664911 /nfs/dbraw/zinc/66/49/11/967664911.db2.gz YHECKCZNTZIHGO-GFCCVEGCSA-N 1 2 230.311 2.349 20 30 BEEDLO COc1cc(C)cc(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001143157066 967664921 /nfs/dbraw/zinc/66/49/21/967664921.db2.gz YHECKCZNTZIHGO-GFCCVEGCSA-N 1 2 230.311 2.349 20 30 BEEDLO CC(F)(F)CNc1[nH+]cccc1CC#N ZINC001162225828 967762505 /nfs/dbraw/zinc/76/25/05/967762505.db2.gz HNUNBFQTZWCWNW-UHFFFAOYSA-N 1 2 211.215 2.215 20 30 BEEDLO C#Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205831073 967841389 /nfs/dbraw/zinc/84/13/89/967841389.db2.gz WEZHZHNVCQESLI-CZUORRHYSA-N 1 2 242.366 2.227 20 30 BEEDLO C#Cc1cc(Nc2cnn(CC(C)C)c2)cc[nH+]1 ZINC001205836814 967844342 /nfs/dbraw/zinc/84/43/42/967844342.db2.gz AXMVWCXHLWPSBP-UHFFFAOYSA-N 1 2 240.310 2.081 20 30 BEEDLO CSCCCNc1[nH+]cccc1CC#N ZINC001163869274 968125736 /nfs/dbraw/zinc/12/57/36/968125736.db2.gz RFCNKVQBIBEZIW-UHFFFAOYSA-N 1 2 221.329 2.313 20 30 BEEDLO C#CCCc1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC001250604871 968150316 /nfs/dbraw/zinc/15/03/16/968150316.db2.gz BUCQFGNQDLMWDJ-UHFFFAOYSA-N 1 2 206.195 2.407 20 30 BEEDLO CCc1ccc(C)[nH+]c1Nc1ccnc(C#N)c1 ZINC001206584243 968401110 /nfs/dbraw/zinc/40/11/10/968401110.db2.gz GPHOGIDCBIIEHY-UHFFFAOYSA-N 1 2 238.294 2.385 20 30 BEEDLO CCc1[nH+]ccc(C)c1Nc1ccnc(C#N)c1 ZINC001206607106 968416369 /nfs/dbraw/zinc/41/63/69/968416369.db2.gz LGHHMZLLKVASFN-UHFFFAOYSA-N 1 2 238.294 2.385 20 30 BEEDLO Fc1cncc(F)c1C[NH+]1CCC(S)CC1 ZINC001206862867 968502634 /nfs/dbraw/zinc/50/26/34/968502634.db2.gz RKHKJJHTXBHIRC-UHFFFAOYSA-N 1 2 244.310 2.254 20 30 BEEDLO C=C[C@@](C)(O)CNc1c(C)cc[nH+]c1CC ZINC001252546894 968784343 /nfs/dbraw/zinc/78/43/43/968784343.db2.gz CRXKUJDBXFOMIE-CYBMUJFWSA-N 1 2 220.316 2.301 20 30 BEEDLO C=C[C@](C)(O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001252565864 968815731 /nfs/dbraw/zinc/81/57/31/968815731.db2.gz YOSSDDLNYSMIRE-AWEZNQCLSA-N 1 2 243.310 2.426 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001252590007 968845674 /nfs/dbraw/zinc/84/56/74/968845674.db2.gz WPBRPKUANYAOIR-NSHDSACASA-N 1 2 233.302 2.435 20 30 BEEDLO C=CCC[C@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001252590007 968845681 /nfs/dbraw/zinc/84/56/81/968845681.db2.gz WPBRPKUANYAOIR-NSHDSACASA-N 1 2 233.302 2.435 20 30 BEEDLO C[C@@H]1CCCN(c2cc(CC#N)cc[nH+]2)C1 ZINC001155208543 968926663 /nfs/dbraw/zinc/92/66/63/968926663.db2.gz UDIYOYLAZIVSJU-LLVKDONJSA-N 1 2 215.300 2.384 20 30 BEEDLO Nc1cc(-c2cccc(/C=N/O)c2)cc[nH+]1 ZINC001241169931 968943890 /nfs/dbraw/zinc/94/38/90/968943890.db2.gz RLJRQCPFMZJSME-OVCLIPMQSA-N 1 2 213.240 2.139 20 30 BEEDLO CC1(C[N@@H+]2CCCC[C@H]2C#N)CCOCC1 ZINC001207968528 968963805 /nfs/dbraw/zinc/96/38/05/968963805.db2.gz ALAJIASHCKIIRO-LBPRGKRZSA-N 1 2 222.332 2.181 20 30 BEEDLO CC1(C[N@H+]2CCCC[C@H]2C#N)CCOCC1 ZINC001207968528 968963814 /nfs/dbraw/zinc/96/38/14/968963814.db2.gz ALAJIASHCKIIRO-LBPRGKRZSA-N 1 2 222.332 2.181 20 30 BEEDLO C=C[C@@H](O)CNc1ccc([NH+]2CCCC2)cc1 ZINC001253565703 969236845 /nfs/dbraw/zinc/23/68/45/969236845.db2.gz RXDHXVWMLNHOAB-CQSZACIVSA-N 1 2 232.327 2.246 20 30 BEEDLO C=C[C@H](O)CNc1ccc(N2CCCCC2)[nH+]c1 ZINC001253569093 969238985 /nfs/dbraw/zinc/23/89/85/969238985.db2.gz SEDLBUFOZVHDNK-ZDUSSCGKSA-N 1 2 247.342 2.031 20 30 BEEDLO C[C@H](C[N@@H+]1CC[C@H](C#N)C1)C(F)(F)F ZINC001208905329 969297590 /nfs/dbraw/zinc/29/75/90/969297590.db2.gz NOCHKKTVKOUYCE-HTQZYQBOSA-N 1 2 206.211 2.030 20 30 BEEDLO C[C@H](C[N@H+]1CC[C@H](C#N)C1)C(F)(F)F ZINC001208905329 969297597 /nfs/dbraw/zinc/29/75/97/969297597.db2.gz NOCHKKTVKOUYCE-HTQZYQBOSA-N 1 2 206.211 2.030 20 30 BEEDLO COc1cc(Nc2ccc(C#N)nc2)cc(C)[nH+]1 ZINC001209544566 969535822 /nfs/dbraw/zinc/53/58/22/969535822.db2.gz MXGDJEDAAYVSFJ-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO C#Cc1nccnc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209842320 969657037 /nfs/dbraw/zinc/65/70/37/969657037.db2.gz HOFPKLUVUZRYKS-UHFFFAOYSA-N 1 2 235.250 2.078 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([NH+]2CC(Oc3ccccc3)C2)C1 ZINC001254667273 969774744 /nfs/dbraw/zinc/77/47/44/969774744.db2.gz BROIDAMTHXRNGX-CHWSQXEVSA-N 1 2 242.322 2.442 20 30 BEEDLO CCC[C@H](C)CCC[NH+]1CC(O)(CC#N)C1 ZINC001169629245 969788154 /nfs/dbraw/zinc/78/81/54/969788154.db2.gz PAASQKZNXPWMCZ-LBPRGKRZSA-N 1 2 224.348 2.163 20 30 BEEDLO Cc1cccc([C@H](C)[NH+]2CC(O)(CC#N)C2)c1 ZINC001169626434 969790362 /nfs/dbraw/zinc/79/03/62/969790362.db2.gz CFTXEJBYEQXMQE-LBPRGKRZSA-N 1 2 230.311 2.016 20 30 BEEDLO Cc1[nH+]cc(Nc2cc(F)cnc2C#N)cc1N ZINC001210288141 969857202 /nfs/dbraw/zinc/85/72/02/969857202.db2.gz BJDMTEXAQUEVPP-UHFFFAOYSA-N 1 2 243.245 2.122 20 30 BEEDLO C=C[C@@H](CO)Nc1cc[nH+]c(OCC(C)C)c1 ZINC001169784345 969858284 /nfs/dbraw/zinc/85/82/84/969858284.db2.gz FXNZGWHOAVAUHE-NSHDSACASA-N 1 2 236.315 2.075 20 30 BEEDLO CC[C@@H](CC#N)[N@@H+]1CCc2cc(O)ccc2C1 ZINC001255167319 969978795 /nfs/dbraw/zinc/97/87/95/969978795.db2.gz YINMPPIVRGNVRS-ZDUSSCGKSA-N 1 2 230.311 2.443 20 30 BEEDLO CC[C@@H](CC#N)[N@H+]1CCc2cc(O)ccc2C1 ZINC001255167319 969978800 /nfs/dbraw/zinc/97/88/00/969978800.db2.gz YINMPPIVRGNVRS-ZDUSSCGKSA-N 1 2 230.311 2.443 20 30 BEEDLO CC[C@H](CC#N)[N@@H+]1CCOC[C@H]1C(C)C ZINC001255173328 969985717 /nfs/dbraw/zinc/98/57/17/969985717.db2.gz KLSOIUTVDWJHOW-NEPJUHHUSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[C@H](CC#N)[N@H+]1CCOC[C@H]1C(C)C ZINC001255173328 969985726 /nfs/dbraw/zinc/98/57/26/969985726.db2.gz KLSOIUTVDWJHOW-NEPJUHHUSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[C@@H](CC#N)[N@H+](CCO)Cc1cccs1 ZINC001255171734 969986215 /nfs/dbraw/zinc/98/62/15/969986215.db2.gz ABZFHLABSPRCBP-NSHDSACASA-N 1 2 238.356 2.235 20 30 BEEDLO CC[C@@H](CC#N)[N@@H+](CCO)Cc1cccs1 ZINC001255171734 969986220 /nfs/dbraw/zinc/98/62/20/969986220.db2.gz ABZFHLABSPRCBP-NSHDSACASA-N 1 2 238.356 2.235 20 30 BEEDLO CC[C@H](CC#N)[NH+]1CCC(c2noc(C)n2)CC1 ZINC001255174270 969987727 /nfs/dbraw/zinc/98/77/27/969987727.db2.gz VNZUDZYQDFMLQX-GFCCVEGCSA-N 1 2 248.330 2.250 20 30 BEEDLO CCc1cc(NC2=CC(=O)C[C@H](C)C2)cc[nH+]1 ZINC001210771399 970023190 /nfs/dbraw/zinc/02/31/90/970023190.db2.gz NARGKIMTKWDERG-SNVBAGLBSA-N 1 2 230.311 2.361 20 30 BEEDLO COc1cc(Nc2ncccc2C#N)cc(C)[nH+]1 ZINC001210774841 970023424 /nfs/dbraw/zinc/02/34/24/970023424.db2.gz CJEKLTYIVRESRG-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)CCCC)CC1 ZINC001112818306 970186051 /nfs/dbraw/zinc/18/60/51/970186051.db2.gz ACKMMKIZWPDVNG-CYBMUJFWSA-N 1 2 238.375 2.143 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255526718 970290970 /nfs/dbraw/zinc/29/09/70/970290970.db2.gz YSKHNMHPMJVCFT-AAEUAGOBSA-N 1 2 224.348 2.472 20 30 BEEDLO CC1(C)C[C@H]([NH2+]C2(C#N)CCCC2)CCO1 ZINC001255526813 970292809 /nfs/dbraw/zinc/29/28/09/970292809.db2.gz GVNBAQOBUKDSRN-LLVKDONJSA-N 1 2 222.332 2.370 20 30 BEEDLO Cc1cc(Nc2ccc(N)c(C#N)c2)nc(C)[nH+]1 ZINC001213426852 970312428 /nfs/dbraw/zinc/31/24/28/970312428.db2.gz ATOUHEOAUMAMCH-UHFFFAOYSA-N 1 2 239.282 2.291 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)CC(C)=C(C)C)CC1 ZINC001113207115 970385198 /nfs/dbraw/zinc/38/51/98/970385198.db2.gz CDCGWBCIXAJRPJ-UHFFFAOYSA-N 1 2 236.359 2.063 20 30 BEEDLO C#Cc1cc(Nc2ccc(OC)c(C#N)c2)cc[nH+]1 ZINC001214993777 970596098 /nfs/dbraw/zinc/59/60/98/970596098.db2.gz VZBNXMVENDMYOE-UHFFFAOYSA-N 1 2 249.273 2.109 20 30 BEEDLO C#C[C@@H](CCCC)OCc1c[nH+]cn1C ZINC001222599478 972597003 /nfs/dbraw/zinc/59/70/03/972597003.db2.gz CESXACFZEDZWKU-LBPRGKRZSA-N 1 2 206.289 2.129 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144179597 972650086 /nfs/dbraw/zinc/65/00/86/972650086.db2.gz KUXCHQKQZCFHHG-LLVKDONJSA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144179597 972650091 /nfs/dbraw/zinc/65/00/91/972650091.db2.gz KUXCHQKQZCFHHG-LLVKDONJSA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144179598 972650766 /nfs/dbraw/zinc/65/07/66/972650766.db2.gz KUXCHQKQZCFHHG-NSHDSACASA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144179598 972650769 /nfs/dbraw/zinc/65/07/69/972650769.db2.gz KUXCHQKQZCFHHG-NSHDSACASA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144188304 972677270 /nfs/dbraw/zinc/67/72/70/972677270.db2.gz VRNYSAXRMQCJST-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144188304 972677276 /nfs/dbraw/zinc/67/72/76/972677276.db2.gz VRNYSAXRMQCJST-AWEZNQCLSA-N 1 2 240.310 2.298 20 30 BEEDLO C#Cc1ccc(C[NH+]2CC(OCCC)C2)cc1 ZINC001144573898 972878095 /nfs/dbraw/zinc/87/80/95/972878095.db2.gz SNAQXPJTBFPDHP-UHFFFAOYSA-N 1 2 229.323 2.279 20 30 BEEDLO C#C[C@H]1CCCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144624871 972891704 /nfs/dbraw/zinc/89/17/04/972891704.db2.gz UQHYLXKCQIBHNA-ZDUSSCGKSA-N 1 2 239.322 2.180 20 30 BEEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CCCC ZINC001329385962 973725581 /nfs/dbraw/zinc/72/55/81/973725581.db2.gz KPXFUQNBYLCNEC-NSHDSACASA-N 1 2 246.782 2.366 20 30 BEEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CCCC ZINC001329385962 973725596 /nfs/dbraw/zinc/72/55/96/973725596.db2.gz KPXFUQNBYLCNEC-NSHDSACASA-N 1 2 246.782 2.366 20 30 BEEDLO COc1cc(C#N)ccc1OC1C[NH+](C(C)C)C1 ZINC001225192775 974209739 /nfs/dbraw/zinc/20/97/39/974209739.db2.gz AXEWGRXUJOTQNU-UHFFFAOYSA-N 1 2 246.310 2.038 20 30 BEEDLO C#CC[N@@H+](Cc1coc(C2CC2)n1)CC1CC1 ZINC001330637569 974375895 /nfs/dbraw/zinc/37/58/95/974375895.db2.gz IPJPKMFKSGTEIY-UHFFFAOYSA-N 1 2 230.311 2.397 20 30 BEEDLO C#CC[N@H+](Cc1coc(C2CC2)n1)CC1CC1 ZINC001330637569 974375910 /nfs/dbraw/zinc/37/59/10/974375910.db2.gz IPJPKMFKSGTEIY-UHFFFAOYSA-N 1 2 230.311 2.397 20 30 BEEDLO CCCC[N@H+](CC#N)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172244910 974510232 /nfs/dbraw/zinc/51/02/32/974510232.db2.gz TZEIQTGTVZZNLN-YHWZYXNKSA-N 1 2 220.316 2.098 20 30 BEEDLO CCCC[N@@H+](CC#N)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172244910 974510239 /nfs/dbraw/zinc/51/02/39/974510239.db2.gz TZEIQTGTVZZNLN-YHWZYXNKSA-N 1 2 220.316 2.098 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001330969239 974545664 /nfs/dbraw/zinc/54/56/64/974545664.db2.gz GCSXQGUXNGCOET-UPJWGTAASA-N 1 2 245.326 2.154 20 30 BEEDLO CCOCC[C@H](C)[NH2+][C@@](C)(C#N)C(C)C ZINC001172409650 974670521 /nfs/dbraw/zinc/67/05/21/974670521.db2.gz ANGWELHAMCLREQ-RYUDHWBXSA-N 1 2 212.337 2.329 20 30 BEEDLO N#C[C@@H]1C[NH2+]CCN1C1CCC2(CCCC2)CC1 ZINC001172726311 974908007 /nfs/dbraw/zinc/90/80/07/974908007.db2.gz FTFWRZVXJSPZBJ-CQSZACIVSA-N 1 2 247.386 2.287 20 30 BEEDLO CC[C@H](C#N)[NH2+][C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172801274 974951798 /nfs/dbraw/zinc/95/17/98/974951798.db2.gz UGUGDLCECMCBNN-IJLUTSLNSA-N 1 2 238.331 2.000 20 30 BEEDLO CC[C@H](C#N)[NH2+][C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172801275 974955572 /nfs/dbraw/zinc/95/55/72/974955572.db2.gz UGUGDLCECMCBNN-QJPTWQEYSA-N 1 2 238.331 2.000 20 30 BEEDLO CO[C@H]1CCC[C@@H]([NH2+]C2(C#N)CCCC2)C1 ZINC001172918817 974968162 /nfs/dbraw/zinc/96/81/62/974968162.db2.gz NALNUCVTIOKWRN-NEPJUHHUSA-N 1 2 222.332 2.370 20 30 BEEDLO C=CC[C@@](C)([NH2+][C@H](C)CSCC)C(=O)OC ZINC001173297108 975185088 /nfs/dbraw/zinc/18/50/88/975185088.db2.gz BXXPCDNBHIVNBD-ZYHUDNBSSA-N 1 2 245.388 2.225 20 30 BEEDLO C=CCOC1CCC([NH2+]C(C)(C)C#N)CC1 ZINC001173311887 975224214 /nfs/dbraw/zinc/22/42/14/975224214.db2.gz QMFSYLURNCQYPI-UHFFFAOYSA-N 1 2 222.332 2.392 20 30 BEEDLO Cc1nnn([NH+]=C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1C ZINC001333198958 975547502 /nfs/dbraw/zinc/54/75/02/975547502.db2.gz AIZFFDNCPOAWCV-UTUOFQBUSA-N 1 2 218.304 2.165 20 30 BEEDLO C=CC[C@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC001333366466 975715486 /nfs/dbraw/zinc/71/54/86/975715486.db2.gz ZABCNEGTJCYZEO-JTQLQIEISA-N 1 2 234.299 2.104 20 30 BEEDLO C#Cc1cc(Nc2cccc(OC)c2)cc[nH+]1 ZINC001173825135 975840788 /nfs/dbraw/zinc/84/07/88/975840788.db2.gz WWIYFSIEBYZBNT-UHFFFAOYSA-N 1 2 224.263 2.237 20 30 BEEDLO C#C[C@@H](CC)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228086774 975896307 /nfs/dbraw/zinc/89/63/07/975896307.db2.gz APJSGYSFHLBRMJ-ZDUSSCGKSA-N 1 2 243.306 2.461 20 30 BEEDLO C#Cc1cc(Nc2cccc(OC)c2F)cc[nH+]1 ZINC001173972051 976188651 /nfs/dbraw/zinc/18/86/51/976188651.db2.gz YRRLCKJHSAPKFL-UHFFFAOYSA-N 1 2 242.253 2.376 20 30 BEEDLO C#Cc1cc(Nc2cnc3[nH]ccc3c2)cc[nH+]1 ZINC001174394246 976586994 /nfs/dbraw/zinc/58/69/94/976586994.db2.gz HGPISGFXDWQDLA-UHFFFAOYSA-N 1 2 234.262 2.056 20 30 BEEDLO C#Cc1cc(Nc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC001174475385 976792026 /nfs/dbraw/zinc/79/20/26/976792026.db2.gz KBWPAYALJCLSJG-UHFFFAOYSA-N 1 2 239.234 2.137 20 30 BEEDLO C#C[C@H](C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229950803 977030889 /nfs/dbraw/zinc/03/08/89/977030889.db2.gz NKLVSKGLHLJRBY-NSHDSACASA-N 1 2 212.252 2.273 20 30 BEEDLO C#C[C@@H](C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229950792 977031479 /nfs/dbraw/zinc/03/14/79/977031479.db2.gz NKLVSKGLHLJRBY-LLVKDONJSA-N 1 2 212.252 2.273 20 30 BEEDLO C#Cc1cc(Nc2ccc(COC)cc2)cc[nH+]1 ZINC001174916867 977165999 /nfs/dbraw/zinc/16/59/99/977165999.db2.gz IMURDFJDRHWHIM-UHFFFAOYSA-N 1 2 238.290 2.375 20 30 BEEDLO C#Cc1cc(Nc2ccc3n[nH]cc3c2C)cc[nH+]1 ZINC001175466581 977433208 /nfs/dbraw/zinc/43/32/08/977433208.db2.gz UTXZMAJBBKBMRW-UHFFFAOYSA-N 1 2 248.289 2.413 20 30 BEEDLO Cc1oc(N=C2CCC[N@@H+](C)C2)c(C#N)c1C ZINC001175575457 977583159 /nfs/dbraw/zinc/58/31/59/977583159.db2.gz WFHJALSLLYKMTQ-UHFFFAOYSA-N 1 2 231.299 2.399 20 30 BEEDLO Cc1oc(N=C2CCC[N@H+](C)C2)c(C#N)c1C ZINC001175575457 977583168 /nfs/dbraw/zinc/58/31/68/977583168.db2.gz WFHJALSLLYKMTQ-UHFFFAOYSA-N 1 2 231.299 2.399 20 30 BEEDLO CCOc1ncccc1C[NH+]1CCC(C#N)CC1 ZINC001231758605 977733194 /nfs/dbraw/zinc/73/31/94/977733194.db2.gz AVKMMYPPNPSYRL-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cc(C)n1 ZINC001232004092 977834225 /nfs/dbraw/zinc/83/42/25/977834225.db2.gz KCYVDWIZQNBNCI-CQSZACIVSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)cc(C)n1 ZINC001232004092 977834229 /nfs/dbraw/zinc/83/42/29/977834229.db2.gz KCYVDWIZQNBNCI-CQSZACIVSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cccnc1[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC001336748966 977909191 /nfs/dbraw/zinc/90/91/91/977909191.db2.gz LMAWZNOHBUDCCI-QWHCGFSZSA-N 1 2 242.326 2.484 20 30 BEEDLO COc1cc[nH+]cc1Nc1c(C)ccnc1C#N ZINC001176120988 977949625 /nfs/dbraw/zinc/94/96/25/977949625.db2.gz CXRLFRSDGPMXPC-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO COc1cc[nH+]cc1Nc1ncc(C)cc1C#N ZINC001176119457 977953140 /nfs/dbraw/zinc/95/31/40/977953140.db2.gz TUUXCKPGXHMSRJ-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO COc1cc[nH+]cc1Nc1ccc(N)cc1C#N ZINC001176124482 977959012 /nfs/dbraw/zinc/95/90/12/977959012.db2.gz OYEOXONZHOYAKF-UHFFFAOYSA-N 1 2 240.266 2.288 20 30 BEEDLO COc1cc[nH+]cc1Nc1ccc(O)c(C#N)c1 ZINC001176124909 977959122 /nfs/dbraw/zinc/95/91/22/977959122.db2.gz RNDIQSCCIHNTPH-UHFFFAOYSA-N 1 2 241.250 2.411 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2cnsc2)CC1 ZINC001232230158 977962583 /nfs/dbraw/zinc/96/25/83/977962583.db2.gz FXHNFCFETNMHTK-UHFFFAOYSA-N 1 2 221.329 2.269 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1ccc(N)nc1C ZINC001232344836 978029398 /nfs/dbraw/zinc/02/93/98/978029398.db2.gz VBMJKSNQSUYVDK-UHFFFAOYSA-N 1 2 232.331 2.098 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1ccc(N)nc1C ZINC001232344836 978029406 /nfs/dbraw/zinc/02/94/06/978029406.db2.gz VBMJKSNQSUYVDK-UHFFFAOYSA-N 1 2 232.331 2.098 20 30 BEEDLO Cc1nnn([NH+]=C[C@@H]2CC[C@H](C)C2)c1C ZINC001336980813 978104577 /nfs/dbraw/zinc/10/45/77/978104577.db2.gz IEAAHMGUXPSVCL-GZMMTYOYSA-N 1 2 206.293 2.165 20 30 BEEDLO C=C(C)CCC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001337114237 978172124 /nfs/dbraw/zinc/17/21/24/978172124.db2.gz KTHKUKQPKGGWNS-UHFFFAOYSA-N 1 2 246.310 2.028 20 30 BEEDLO C#CC[NH+](CC#C)Cc1c(C)cccc1OC ZINC001232623302 978199585 /nfs/dbraw/zinc/19/95/85/978199585.db2.gz NGCRZKIRWFAEHT-UHFFFAOYSA-N 1 2 227.307 2.072 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cncc2cnccc21 ZINC001232650750 978212618 /nfs/dbraw/zinc/21/26/18/978212618.db2.gz GCHCQRVOPLNYDE-UHFFFAOYSA-N 1 2 240.310 2.365 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cncc2cnccc21 ZINC001232650750 978212627 /nfs/dbraw/zinc/21/26/27/978212627.db2.gz GCHCQRVOPLNYDE-UHFFFAOYSA-N 1 2 240.310 2.365 20 30 BEEDLO CCC[N@H+](CCOC)Cc1cc(C#N)ccc1O ZINC001232673437 978230407 /nfs/dbraw/zinc/23/04/07/978230407.db2.gz GKBYEDQQGRYSNF-UHFFFAOYSA-N 1 2 248.326 2.122 20 30 BEEDLO CCC[N@@H+](CCOC)Cc1cc(C#N)ccc1O ZINC001232673437 978230414 /nfs/dbraw/zinc/23/04/14/978230414.db2.gz GKBYEDQQGRYSNF-UHFFFAOYSA-N 1 2 248.326 2.122 20 30 BEEDLO CCC[N@H+](CCC#N)Cc1cc(C#N)ccc1O ZINC001232679678 978238363 /nfs/dbraw/zinc/23/83/63/978238363.db2.gz QWVGDNGQTOHZLY-UHFFFAOYSA-N 1 2 243.310 2.390 20 30 BEEDLO CCC[N@@H+](CCC#N)Cc1cc(C#N)ccc1O ZINC001232679678 978238377 /nfs/dbraw/zinc/23/83/77/978238377.db2.gz QWVGDNGQTOHZLY-UHFFFAOYSA-N 1 2 243.310 2.390 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC001232676221 978243379 /nfs/dbraw/zinc/24/33/79/978243379.db2.gz GZGXZXASLOAXJC-GFCCVEGCSA-N 1 2 234.274 2.198 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC001232676221 978243395 /nfs/dbraw/zinc/24/33/95/978243395.db2.gz GZGXZXASLOAXJC-GFCCVEGCSA-N 1 2 234.274 2.198 20 30 BEEDLO Cc1cc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC001233009190 978407392 /nfs/dbraw/zinc/40/73/92/978407392.db2.gz MSAFDIHDCGAJPR-AWEZNQCLSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC001233009190 978407403 /nfs/dbraw/zinc/40/74/03/978407403.db2.gz MSAFDIHDCGAJPR-AWEZNQCLSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC(=O)C[C@@H]1C ZINC001233080332 978464465 /nfs/dbraw/zinc/46/44/65/978464465.db2.gz JBRBVEXQJGQZIC-LBPRGKRZSA-N 1 2 242.322 2.420 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC(=O)C[C@@H]1C ZINC001233080332 978464469 /nfs/dbraw/zinc/46/44/69/978464469.db2.gz JBRBVEXQJGQZIC-LBPRGKRZSA-N 1 2 242.322 2.420 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cnc1C ZINC001233163048 978481077 /nfs/dbraw/zinc/48/10/77/978481077.db2.gz PTWFKQFWVNMARB-AWEZNQCLSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cnc1C ZINC001233163048 978481080 /nfs/dbraw/zinc/48/10/80/978481080.db2.gz PTWFKQFWVNMARB-AWEZNQCLSA-N 1 2 229.327 2.434 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1O ZINC001233234845 978507433 /nfs/dbraw/zinc/50/74/33/978507433.db2.gz FVUNQCSKOWPCGO-CQSZACIVSA-N 1 2 230.311 2.436 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1O ZINC001233234845 978507436 /nfs/dbraw/zinc/50/74/36/978507436.db2.gz FVUNQCSKOWPCGO-CQSZACIVSA-N 1 2 230.311 2.436 20 30 BEEDLO N#CC1(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC001338261449 978647427 /nfs/dbraw/zinc/64/74/27/978647427.db2.gz AMGLUULXRDSRHH-UHFFFAOYSA-N 1 2 238.237 2.064 20 30 BEEDLO Cc1[nH]c(CN2CCC(C)(C#N)CC2)c(C)[nH+]1 ZINC001234645136 978884164 /nfs/dbraw/zinc/88/41/64/978884164.db2.gz LZOLLXQVDSAKNE-UHFFFAOYSA-N 1 2 232.331 2.152 20 30 BEEDLO C[C@H](C(=O)Nc1ccsc1C#N)[NH+]1CCCC1 ZINC001180575160 978896041 /nfs/dbraw/zinc/89/60/41/978896041.db2.gz HJVUJJNBMAPRNO-SECBINFHSA-N 1 2 249.339 2.043 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccccc2CC#N)CCC1=O ZINC001235510345 979059845 /nfs/dbraw/zinc/05/98/45/979059845.db2.gz AIFXBOHWVWURLE-GFCCVEGCSA-N 1 2 242.322 2.164 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2CC#N)CCC1=O ZINC001235510345 979059853 /nfs/dbraw/zinc/05/98/53/979059853.db2.gz AIFXBOHWVWURLE-GFCCVEGCSA-N 1 2 242.322 2.164 20 30 BEEDLO CC(C)OC1C[NH+](Cc2ccccc2CC#N)C1 ZINC001235524267 979065875 /nfs/dbraw/zinc/06/58/75/979065875.db2.gz DIEABFVXYKGVKU-UHFFFAOYSA-N 1 2 244.338 2.362 20 30 BEEDLO CO[NH+]=Cc1c(Cl)cccc1N(C)C ZINC001341342620 979344625 /nfs/dbraw/zinc/34/46/25/979344625.db2.gz QSOXUHLYLZFLKX-UHFFFAOYSA-N 1 2 212.680 2.386 20 30 BEEDLO N#CCc1ccccc1-c1ccc(N)[nH+]c1 ZINC001236313386 979521943 /nfs/dbraw/zinc/52/19/43/979521943.db2.gz PSBBDNRRWRSZKB-UHFFFAOYSA-N 1 2 209.252 2.397 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cccc(C)c1OC ZINC001237502982 979924090 /nfs/dbraw/zinc/92/40/90/979924090.db2.gz BXIJUYIJVGJOMS-UHFFFAOYSA-N 1 2 227.307 2.072 20 30 BEEDLO CCc1[nH]ncc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001237652983 980007514 /nfs/dbraw/zinc/00/75/14/980007514.db2.gz AOLZHNPYKXHPKY-NSHDSACASA-N 1 2 232.331 2.098 20 30 BEEDLO CCc1[nH]ncc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001237652983 980007519 /nfs/dbraw/zinc/00/75/19/980007519.db2.gz AOLZHNPYKXHPKY-NSHDSACASA-N 1 2 232.331 2.098 20 30 BEEDLO Cc1coc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)n1 ZINC001237651035 980007896 /nfs/dbraw/zinc/00/78/96/980007896.db2.gz YYWYPBUBAUJBHI-CNDDSTCGSA-N 1 2 231.299 2.250 20 30 BEEDLO Cc1coc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)n1 ZINC001237651035 980007907 /nfs/dbraw/zinc/00/79/07/980007907.db2.gz YYWYPBUBAUJBHI-CNDDSTCGSA-N 1 2 231.299 2.250 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1cn[nH]c1CC ZINC001237660194 980021019 /nfs/dbraw/zinc/02/10/19/980021019.db2.gz WHKIRZYMTGWBRV-UHFFFAOYSA-N 1 2 207.321 2.370 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1cn[nH]c1CC ZINC001237660194 980021030 /nfs/dbraw/zinc/02/10/30/980021030.db2.gz WHKIRZYMTGWBRV-UHFFFAOYSA-N 1 2 207.321 2.370 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(F)cc(Cl)c1O ZINC001237800148 980048918 /nfs/dbraw/zinc/04/89/18/980048918.db2.gz XYYKOKIXFZGASV-UHFFFAOYSA-N 1 2 227.666 2.250 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(F)cc(Cl)c1O ZINC001237800148 980048923 /nfs/dbraw/zinc/04/89/23/980048923.db2.gz XYYKOKIXFZGASV-UHFFFAOYSA-N 1 2 227.666 2.250 20 30 BEEDLO CCc1cc(C[N@H+](C)CCC#N)ccc1C#N ZINC001238764822 980317524 /nfs/dbraw/zinc/31/75/24/980317524.db2.gz BQFJDJDNUPMTPK-UHFFFAOYSA-N 1 2 227.311 2.466 20 30 BEEDLO CCc1cc(C[N@@H+](C)CCC#N)ccc1C#N ZINC001238764822 980317529 /nfs/dbraw/zinc/31/75/29/980317529.db2.gz BQFJDJDNUPMTPK-UHFFFAOYSA-N 1 2 227.311 2.466 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(C)c(C)cc1OC ZINC001238770604 980320614 /nfs/dbraw/zinc/32/06/14/980320614.db2.gz ORSOSQCGEXORLX-UHFFFAOYSA-N 1 2 241.334 2.380 20 30 BEEDLO CCC#CCOC(=O)C[N@H+](C)Cc1ccccc1 ZINC001345180301 980577022 /nfs/dbraw/zinc/57/70/22/980577022.db2.gz QVSWIDGVLIUPBE-UHFFFAOYSA-N 1 2 245.322 2.075 20 30 BEEDLO CCC#CCOC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001345180301 980577030 /nfs/dbraw/zinc/57/70/30/980577030.db2.gz QVSWIDGVLIUPBE-UHFFFAOYSA-N 1 2 245.322 2.075 20 30 BEEDLO C=C(CC)C(=O)NCCCCNc1cccc[nH+]1 ZINC001346410183 980830694 /nfs/dbraw/zinc/83/06/94/980830694.db2.gz KXJDJGYWXSRWEQ-UHFFFAOYSA-N 1 2 247.342 2.356 20 30 BEEDLO Cc1nc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)no1 ZINC001347237413 981017439 /nfs/dbraw/zinc/01/74/39/981017439.db2.gz FSQMMCGNQSLWBJ-LSJOCFKGSA-N 1 2 234.303 2.111 20 30 BEEDLO N#Cc1cnc(-c2ccn3cc[nH+]c3c2)c(C#N)c1 ZINC001240496006 981415378 /nfs/dbraw/zinc/41/53/78/981415378.db2.gz CDWUVASODRYPAC-UHFFFAOYSA-N 1 2 245.245 2.140 20 30 BEEDLO N#Cc1ccnc(-c2ccn3cc[nH+]c3c2)c1F ZINC001240496752 981417924 /nfs/dbraw/zinc/41/79/24/981417924.db2.gz SAOZPVWUSNYHSK-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO N#Cc1ccc(-c2ccn3cc[nH+]c3c2)nc1F ZINC001240497778 981418841 /nfs/dbraw/zinc/41/88/41/981418841.db2.gz ZJNUGXBDBZYAPM-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO C=C(CC)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001348737572 981432389 /nfs/dbraw/zinc/43/23/89/981432389.db2.gz GLIRXATXQSHXQF-UHFFFAOYSA-N 1 2 233.315 2.013 20 30 BEEDLO C=CCOC(=O)Nc1cccc2[nH+]ccn21 ZINC001194281204 981610333 /nfs/dbraw/zinc/61/03/33/981610333.db2.gz NKIPSDAOVJTSQI-UHFFFAOYSA-N 1 2 217.228 2.069 20 30 BEEDLO C=CCOC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001194346371 981784668 /nfs/dbraw/zinc/78/46/68/981784668.db2.gz AQJDATALSKHACM-UHFFFAOYSA-N 1 2 235.287 2.020 20 30 BEEDLO COc1ccc(CC#N)cc1-c1cc[nH+]c(N)c1 ZINC001241161989 982297721 /nfs/dbraw/zinc/29/77/21/982297721.db2.gz DSLXSLSTGDTHOF-UHFFFAOYSA-N 1 2 239.278 2.405 20 30 BEEDLO N#CCc1cc(-c2cc[nH+]c(N)c2)ccc1C#N ZINC001241163503 982307689 /nfs/dbraw/zinc/30/76/89/982307689.db2.gz VGVBMWHHFJRQSL-UHFFFAOYSA-N 1 2 234.262 2.269 20 30 BEEDLO N#Cc1ccc(-c2cc[nH+]c(N)c2)c(C#N)c1 ZINC001241170267 982311480 /nfs/dbraw/zinc/31/14/80/982311480.db2.gz FESCONQJTOLEJP-UHFFFAOYSA-N 1 2 220.235 2.074 20 30 BEEDLO CC#Cc1cncc(-c2cc[nH+]c(N)c2)c1 ZINC001241170182 982316692 /nfs/dbraw/zinc/31/66/92/982316692.db2.gz WEHCZJVZFKLNPX-UHFFFAOYSA-N 1 2 209.252 2.097 20 30 BEEDLO COc1cc(-c2cc[nH+]c(N)c2)cc(F)c1C#N ZINC001241176090 982328155 /nfs/dbraw/zinc/32/81/55/982328155.db2.gz UQWBLZVKGOQZHZ-UHFFFAOYSA-N 1 2 243.241 2.350 20 30 BEEDLO C=CCNC(=S)Nc1ccc2[nH+]c(C)cn2c1 ZINC001200279381 982793252 /nfs/dbraw/zinc/79/32/52/982793252.db2.gz JDFIFDPVGZHHJV-UHFFFAOYSA-N 1 2 246.339 2.115 20 30 BEEDLO C=C(C)CCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001353565609 982895768 /nfs/dbraw/zinc/89/57/68/982895768.db2.gz RBTSPNCHUHDUDI-ZDUSSCGKSA-N 1 2 247.342 2.403 20 30 BEEDLO N#Cc1ncc(Nc2ccc(N)[nH+]c2)cc1Cl ZINC001201279596 983157261 /nfs/dbraw/zinc/15/72/61/983157261.db2.gz XWMOEICCXARDPO-UHFFFAOYSA-N 1 2 245.673 2.327 20 30 BEEDLO N#CCc1ccccc1Nc1ccc(N)[nH+]c1 ZINC001201285706 983161660 /nfs/dbraw/zinc/16/16/60/983161660.db2.gz MZSCRRBFNIXFNJ-UHFFFAOYSA-N 1 2 224.267 2.473 20 30 BEEDLO COc1ccc(C#N)cc1Nc1ccc(N)[nH+]c1 ZINC001201292261 983169838 /nfs/dbraw/zinc/16/98/38/983169838.db2.gz MNULYGIPAWOMPW-UHFFFAOYSA-N 1 2 240.266 2.288 20 30 BEEDLO N#Cc1ccsc1Nc1ccc(N)[nH+]c1 ZINC001201272874 983176482 /nfs/dbraw/zinc/17/64/82/983176482.db2.gz VMVCOROICIUEJI-UHFFFAOYSA-N 1 2 216.269 2.341 20 30 BEEDLO C#C[C@H]1CCCN(c2ccc(CC)c[nH+]2)C1 ZINC001354226884 983208583 /nfs/dbraw/zinc/20/85/83/983208583.db2.gz JTZURZJNMHEYSI-ZDUSSCGKSA-N 1 2 214.312 2.494 20 30 BEEDLO CC(C)(C)C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001201433451 983237303 /nfs/dbraw/zinc/23/73/03/983237303.db2.gz ZQRLOYTVBPDJQE-JTQLQIEISA-N 1 2 225.357 2.307 20 30 BEEDLO CC(C)(C)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001201433451 983237314 /nfs/dbraw/zinc/23/73/14/983237314.db2.gz ZQRLOYTVBPDJQE-JTQLQIEISA-N 1 2 225.357 2.307 20 30 BEEDLO CC(C)(C)C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201433451 983237320 /nfs/dbraw/zinc/23/73/20/983237320.db2.gz ZQRLOYTVBPDJQE-JTQLQIEISA-N 1 2 225.357 2.307 20 30 BEEDLO CC(C)(C)C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001201433451 983237325 /nfs/dbraw/zinc/23/73/25/983237325.db2.gz ZQRLOYTVBPDJQE-JTQLQIEISA-N 1 2 225.357 2.307 20 30 BEEDLO Cc1cc(N)[nH+]cc1-c1nccc(F)c1C#N ZINC001242073142 983310811 /nfs/dbraw/zinc/31/08/11/983310811.db2.gz ZCOWPQXLGMKXNR-UHFFFAOYSA-N 1 2 228.230 2.045 20 30 BEEDLO O=C1C=C2C[N@@H+](CC3CCCC3)CC[C@H]2S1 ZINC001202139016 983572116 /nfs/dbraw/zinc/57/21/16/983572116.db2.gz LLDFESKJWHZPGG-GFCCVEGCSA-N 1 2 237.368 2.451 20 30 BEEDLO O=C1C=C2C[N@H+](CC3CCCC3)CC[C@H]2S1 ZINC001202139016 983572121 /nfs/dbraw/zinc/57/21/21/983572121.db2.gz LLDFESKJWHZPGG-GFCCVEGCSA-N 1 2 237.368 2.451 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc2ccccc2nc1OC ZINC001137206688 984165220 /nfs/dbraw/zinc/16/52/20/984165220.db2.gz DMYZECDMUMJCHO-UHFFFAOYSA-N 1 2 240.306 2.308 20 30 BEEDLO C#CC[N@H+](C)Cc1cc2ccccc2nc1OC ZINC001137206688 984165239 /nfs/dbraw/zinc/16/52/39/984165239.db2.gz DMYZECDMUMJCHO-UHFFFAOYSA-N 1 2 240.306 2.308 20 30 BEEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)CCCC ZINC001275505744 984586224 /nfs/dbraw/zinc/58/62/24/984586224.db2.gz JHGYWTNANFUJGB-NSHDSACASA-N 1 2 246.782 2.366 20 30 BEEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)CCCC ZINC001275505744 984586229 /nfs/dbraw/zinc/58/62/29/984586229.db2.gz JHGYWTNANFUJGB-NSHDSACASA-N 1 2 246.782 2.366 20 30 BEEDLO CCCC[C@@H](CC)[NH2+][C@@H](CS)C(=O)OC ZINC001257411702 984962051 /nfs/dbraw/zinc/96/20/51/984962051.db2.gz YJSNRWFXUGCVFL-ZJUUUORDSA-N 1 2 233.377 2.016 20 30 BEEDLO N#CCc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243472348 985015825 /nfs/dbraw/zinc/01/58/25/985015825.db2.gz IPXBLXORHVKDIU-UHFFFAOYSA-N 1 2 209.252 2.397 20 30 BEEDLO N#Cc1c(F)ccc(-c2ccc[nH+]c2N)c1F ZINC001243478006 985041569 /nfs/dbraw/zinc/04/15/69/985041569.db2.gz WKRLSBDPPXGQHK-UHFFFAOYSA-N 1 2 231.205 2.481 20 30 BEEDLO Cc1cc(C)c(Nc2ccnc(C#N)c2)c[nH+]1 ZINC001206594986 985625704 /nfs/dbraw/zinc/62/57/04/985625704.db2.gz XYCUCFUWZFAHSO-UHFFFAOYSA-N 1 2 224.267 2.131 20 30 BEEDLO Cn1ccc2c[nH+]c(-c3ccc(N)c(C#N)c3)nc21 ZINC001244112626 985820304 /nfs/dbraw/zinc/82/03/04/985820304.db2.gz LGAMEHGEYVBNMQ-UHFFFAOYSA-N 1 2 249.277 2.089 20 30 BEEDLO C=C[C@H](O)CNc1c(C)cc[nH+]c1C(C)C ZINC001253572055 986093080 /nfs/dbraw/zinc/09/30/80/986093080.db2.gz LAVCKERBTGDQQS-NSHDSACASA-N 1 2 220.316 2.472 20 30 BEEDLO COc1ccc(-c2ccc[nH+]c2N)cc1C#N ZINC001244709055 986316729 /nfs/dbraw/zinc/31/67/29/986316729.db2.gz KZKJUAUURLDKSX-UHFFFAOYSA-N 1 2 225.251 2.211 20 30 BEEDLO Cc1cnc(C[NH2+]C[C@@H](C#N)CCC#N)c(C)c1 ZINC000901588141 986364402 /nfs/dbraw/zinc/36/44/02/986364402.db2.gz RHMYLZOEKUFJPS-CYBMUJFWSA-N 1 2 242.326 2.232 20 30 BEEDLO C=CCC1(O)C[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC001462665281 986498830 /nfs/dbraw/zinc/49/88/30/986498830.db2.gz SITUDBCLCQMPQD-UHFFFAOYSA-N 1 2 247.338 2.126 20 30 BEEDLO CNc1cc(-c2cnc(F)c(C#N)c2)cc[nH+]1 ZINC001244972239 986549925 /nfs/dbraw/zinc/54/99/25/986549925.db2.gz LFRSGFNFXSERSG-UHFFFAOYSA-N 1 2 228.230 2.196 20 30 BEEDLO N#C[C@H]1CC[C@@H]([NH+]2CC(Oc3ccccc3)C2)C1 ZINC001254667288 986716515 /nfs/dbraw/zinc/71/65/15/986716515.db2.gz BROIDAMTHXRNGX-QWHCGFSZSA-N 1 2 242.322 2.442 20 30 BEEDLO CC[C@@H](CC#N)[NH+]1CCC(c2nnc(C)o2)CC1 ZINC001255175615 986870032 /nfs/dbraw/zinc/87/00/32/986870032.db2.gz RZWUIEXHFYQZSJ-LBPRGKRZSA-N 1 2 248.330 2.250 20 30 BEEDLO Cc1ccc(C#N)nc1-c1c[nH+]c(N)c(C)c1 ZINC001245535791 986911541 /nfs/dbraw/zinc/91/15/41/986911541.db2.gz PHIGYEKSBVUYQK-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO Cc1cc(C#N)cc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245537226 986914844 /nfs/dbraw/zinc/91/48/44/986914844.db2.gz GDYHZLYNWVARID-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO Cc1cc(-c2cnc3c(C#N)c[nH]c3c2)c[nH+]c1N ZINC001245539565 986927707 /nfs/dbraw/zinc/92/77/07/986927707.db2.gz NTVHGLGUIJGOHK-UHFFFAOYSA-N 1 2 249.277 2.387 20 30 BEEDLO C=CCn1cnn(C[N@@H+](CC)CCC)c1=S ZINC001115968165 987420788 /nfs/dbraw/zinc/42/07/88/987420788.db2.gz SXXWEOSUQVAISR-UHFFFAOYSA-N 1 2 240.376 2.289 20 30 BEEDLO C=CCn1cnn(C[N@H+](CC)CCC)c1=S ZINC001115968165 987420806 /nfs/dbraw/zinc/42/08/06/987420806.db2.gz SXXWEOSUQVAISR-UHFFFAOYSA-N 1 2 240.376 2.289 20 30 BEEDLO C=CCO[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001116541581 987622576 /nfs/dbraw/zinc/62/25/76/987622576.db2.gz JCYNTIZKTCBVSQ-LBPRGKRZSA-N 1 2 248.326 2.329 20 30 BEEDLO C=CCO[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001116541581 987622585 /nfs/dbraw/zinc/62/25/85/987622585.db2.gz JCYNTIZKTCBVSQ-LBPRGKRZSA-N 1 2 248.326 2.329 20 30 BEEDLO C#Cc1ccc(NCc2ccc[nH+]c2N)cc1 ZINC001474743913 987816783 /nfs/dbraw/zinc/81/67/83/987816783.db2.gz ZKSDWNYHOAAYBH-UHFFFAOYSA-N 1 2 223.279 2.257 20 30 BEEDLO CCCC[C@@H](CCC)N1CC[NH2+]C[C@@H]1C#N ZINC001246594054 988187522 /nfs/dbraw/zinc/18/75/22/988187522.db2.gz ORPCFFLCLMHADL-OLZOCXBDSA-N 1 2 223.364 2.143 20 30 BEEDLO CCC[C@H](C)CC[C@H](C)N1CC[NH2+]C[C@H]1C#N ZINC001246594051 988189594 /nfs/dbraw/zinc/18/95/94/988189594.db2.gz OQGGGFNQHKUVPI-MELADBBJSA-N 1 2 237.391 2.389 20 30 BEEDLO CCCCC[C@@H](CC)N1CC[NH2+]C[C@H]1C#N ZINC001246596413 988199164 /nfs/dbraw/zinc/19/91/64/988199164.db2.gz XRANMZXBNAUKLK-CHWSQXEVSA-N 1 2 223.364 2.143 20 30 BEEDLO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246837959 988541677 /nfs/dbraw/zinc/54/16/77/988541677.db2.gz RWNXQVHTVPZHAO-MELADBBJSA-N 1 2 237.391 2.245 20 30 BEEDLO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246837959 988541690 /nfs/dbraw/zinc/54/16/90/988541690.db2.gz RWNXQVHTVPZHAO-MELADBBJSA-N 1 2 237.391 2.245 20 30 BEEDLO CN(C)c1ncccc1C=[NH+]OC/C=C/Cl ZINC001324221366 988758908 /nfs/dbraw/zinc/75/89/08/988758908.db2.gz VCHCKSKRBHPKLG-DZGNXPIOSA-N 1 2 239.706 2.251 20 30 BEEDLO C=CCCNC(=S)Nc1ccc2[nH+]ccn2c1 ZINC001247599222 988941815 /nfs/dbraw/zinc/94/18/15/988941815.db2.gz BDCJXRIJGKYSII-UHFFFAOYSA-N 1 2 246.339 2.197 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccc3n2CCC3)C1 ZINC001248825277 989193521 /nfs/dbraw/zinc/19/35/21/989193521.db2.gz XLHSAWZQQRYAOJ-CQSZACIVSA-N 1 2 229.327 2.170 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccc3n2CCC3)C1 ZINC001248825277 989193539 /nfs/dbraw/zinc/19/35/39/989193539.db2.gz XLHSAWZQQRYAOJ-CQSZACIVSA-N 1 2 229.327 2.170 20 30 BEEDLO CC[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC001119690883 989339812 /nfs/dbraw/zinc/33/98/12/989339812.db2.gz VREHBRVPYOIGAS-LLVKDONJSA-N 1 2 204.273 2.324 20 30 BEEDLO C=C(CC)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001519020761 989371213 /nfs/dbraw/zinc/37/12/13/989371213.db2.gz OQSPFWDQVUIIEI-LBPRGKRZSA-N 1 2 249.358 2.380 20 30 BEEDLO C=CCO[C@@H]1CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001120833388 989910117 /nfs/dbraw/zinc/91/01/17/989910117.db2.gz NQOWDJCYYRGNCZ-GFCCVEGCSA-N 1 2 236.290 2.310 20 30 BEEDLO Cc1[nH]c(CNc2nccc(C)c2C#N)[nH+]c1C ZINC001120958988 989990293 /nfs/dbraw/zinc/99/02/93/989990293.db2.gz DHNWOFLBOLEYLE-UHFFFAOYSA-N 1 2 241.298 2.214 20 30 BEEDLO C[C@H](CC(=O)O[C@@H]1CC[C@H](C#N)C1)n1cc[nH+]c1 ZINC001122732140 990439380 /nfs/dbraw/zinc/43/93/80/990439380.db2.gz RVRCDBDHXVRGAH-GRYCIOLGSA-N 1 2 247.298 2.070 20 30 BEEDLO C[C@H](CC(=O)O[C@@H]1CC[C@@H](C#N)C1)n1cc[nH+]c1 ZINC001122732141 990440154 /nfs/dbraw/zinc/44/01/54/990440154.db2.gz RVRCDBDHXVRGAH-IJLUTSLNSA-N 1 2 247.298 2.070 20 30 BEEDLO C=CC(C)(C)C(=O)Nc1cccc2[nH+]ccn21 ZINC001538058495 990522099 /nfs/dbraw/zinc/52/20/99/990522099.db2.gz OSCHLJGHMZEIAQ-UHFFFAOYSA-N 1 2 229.283 2.485 20 30 BEEDLO C=C(C)CCC(=O)OCc1c[nH+]cn1CC ZINC001123473765 990590449 /nfs/dbraw/zinc/59/04/49/990590449.db2.gz UCXCUEBVLYRMFI-UHFFFAOYSA-N 1 2 222.288 2.303 20 30 BEEDLO C=CC(C)(C)CCNC(=O)CCc1[nH+]ccn1C ZINC001123930383 990706533 /nfs/dbraw/zinc/70/65/33/990706533.db2.gz GLFUARSYLKJBQH-UHFFFAOYSA-N 1 2 249.358 2.071 20 30 BEEDLO COc1ccc(C[NH+]2CCSCC2)c(C#N)c1 ZINC001137699691 990842727 /nfs/dbraw/zinc/84/27/27/990842727.db2.gz QGDWESNJSGCNPX-UHFFFAOYSA-N 1 2 248.351 2.116 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc2c(cc1Cl)OCO2 ZINC001138244909 990900154 /nfs/dbraw/zinc/90/01/54/990900154.db2.gz OGIKLHHEWQODCR-UHFFFAOYSA-N 1 2 237.686 2.134 20 30 BEEDLO C#CC[N@H+](C)Cc1cc2c(cc1Cl)OCO2 ZINC001138244909 990900165 /nfs/dbraw/zinc/90/01/65/990900165.db2.gz OGIKLHHEWQODCR-UHFFFAOYSA-N 1 2 237.686 2.134 20 30 BEEDLO CN(C)c1ccc(C[N@H+](C)CCC#N)s1 ZINC001138489552 990958924 /nfs/dbraw/zinc/95/89/24/990958924.db2.gz UKLOJXLEZBLBRS-UHFFFAOYSA-N 1 2 223.345 2.160 20 30 BEEDLO CN(C)c1ccc(C[N@@H+](C)CCC#N)s1 ZINC001138489552 990958934 /nfs/dbraw/zinc/95/89/34/990958934.db2.gz UKLOJXLEZBLBRS-UHFFFAOYSA-N 1 2 223.345 2.160 20 30 BEEDLO C=C(C)COc1ccccc1C[N@@H+](C)C1COC1 ZINC001138665143 991002243 /nfs/dbraw/zinc/00/22/43/991002243.db2.gz HCKNQNFSAJWYAX-UHFFFAOYSA-N 1 2 247.338 2.472 20 30 BEEDLO C=C(C)COc1ccccc1C[N@H+](C)C1COC1 ZINC001138665143 991002254 /nfs/dbraw/zinc/00/22/54/991002254.db2.gz HCKNQNFSAJWYAX-UHFFFAOYSA-N 1 2 247.338 2.472 20 30 BEEDLO CCOC(=O)CCC[C@@H](C)[NH2+][C@](C)(C#N)CC ZINC001258106521 991016257 /nfs/dbraw/zinc/01/62/57/991016257.db2.gz DIAYDIYGIHPKIT-YPMHNXCESA-N 1 2 240.347 2.390 20 30 BEEDLO C[C@H]1CC([NH2+]C2(C#N)CCOCC2)C[C@H](C)C1 ZINC001258156141 991042369 /nfs/dbraw/zinc/04/23/69/991042369.db2.gz NAYVHIZIYMXKES-VXGBXAGGSA-N 1 2 236.359 2.473 20 30 BEEDLO C#Cc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC001559194699 991049123 /nfs/dbraw/zinc/04/91/23/991049123.db2.gz BROJXCXKHLGUGO-UHFFFAOYSA-N 1 2 223.279 2.378 20 30 BEEDLO N#CCC[N@H+](Cc1cccnn1)C1CCCC1 ZINC001139971650 991445312 /nfs/dbraw/zinc/44/53/12/991445312.db2.gz FACGZZYWYTWROH-UHFFFAOYSA-N 1 2 230.315 2.135 20 30 BEEDLO N#CCC[N@@H+](Cc1cccnn1)C1CCCC1 ZINC001139971650 991445319 /nfs/dbraw/zinc/44/53/19/991445319.db2.gz FACGZZYWYTWROH-UHFFFAOYSA-N 1 2 230.315 2.135 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc2ccccc2cn1 ZINC001140001208 991474202 /nfs/dbraw/zinc/47/42/02/991474202.db2.gz YUFCZNZNMSQRQS-UHFFFAOYSA-N 1 2 234.302 2.303 20 30 BEEDLO N#CC1CC[NH+](Cc2cc(O)ccc2F)CC1 ZINC001140050131 991503682 /nfs/dbraw/zinc/50/36/82/991503682.db2.gz IXFDOPHKMDBHMO-UHFFFAOYSA-N 1 2 234.274 2.267 20 30 BEEDLO C[N@H+](CCC#N)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110299 991520221 /nfs/dbraw/zinc/52/02/21/991520221.db2.gz DMONPBNVBYVDGE-UHFFFAOYSA-N 1 2 238.294 2.385 20 30 BEEDLO C[N@@H+](CCC#N)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110299 991520232 /nfs/dbraw/zinc/52/02/32/991520232.db2.gz DMONPBNVBYVDGE-UHFFFAOYSA-N 1 2 238.294 2.385 20 30 BEEDLO COc1cc(C[N@@H+]2CC[C@H](C#N)C2)ccc1C ZINC001140160084 991547037 /nfs/dbraw/zinc/54/70/37/991547037.db2.gz LWFDHDXMTGIHRA-CYBMUJFWSA-N 1 2 230.311 2.349 20 30 BEEDLO COc1cc(C[N@H+]2CC[C@H](C#N)C2)ccc1C ZINC001140160084 991547046 /nfs/dbraw/zinc/54/70/46/991547046.db2.gz LWFDHDXMTGIHRA-CYBMUJFWSA-N 1 2 230.311 2.349 20 30 BEEDLO Cc1cc(C[N@H+](C)CCC#N)c(C)cc1O ZINC001140196146 991554805 /nfs/dbraw/zinc/55/48/05/991554805.db2.gz INWVLMSAVHZXQW-UHFFFAOYSA-N 1 2 218.300 2.355 20 30 BEEDLO Cc1cc(C[N@@H+](C)CCC#N)c(C)cc1O ZINC001140196146 991554816 /nfs/dbraw/zinc/55/48/16/991554816.db2.gz INWVLMSAVHZXQW-UHFFFAOYSA-N 1 2 218.300 2.355 20 30 BEEDLO CCCC[N@@H+](CCC#N)Cc1ccncc1O ZINC001140278744 991573289 /nfs/dbraw/zinc/57/32/89/991573289.db2.gz VDQINKKCPHVJKW-UHFFFAOYSA-N 1 2 233.315 2.303 20 30 BEEDLO C=CCC[C@@H](C)[NH2+]C1(C(=O)OCC)CC1 ZINC001258717958 991646149 /nfs/dbraw/zinc/64/61/49/991646149.db2.gz ACPKLJYBRBCNFX-SNVBAGLBSA-N 1 2 211.305 2.026 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001258808652 991814020 /nfs/dbraw/zinc/81/40/20/991814020.db2.gz PITBKVUQBJIUIJ-AXFHLTTASA-N 1 2 245.388 2.016 20 30 BEEDLO C#C[C@@H]1CCCCN1Cc1[nH]c(C)c(C)[nH+]1 ZINC001308139724 995571935 /nfs/dbraw/zinc/57/19/35/995571935.db2.gz BFRRRIVHTSDJFO-GFCCVEGCSA-N 1 2 217.316 2.014 20 30 BEEDLO C=CCC1(O)C[NH+](C/C=C/c2cccc(F)c2)C1 ZINC001621566228 1170164329 /nfs/dbraw/zinc/16/43/29/1170164329.db2.gz FBFQZBYNUPFMBN-GQCTYLIASA-N 1 2 247.313 2.462 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2cn(C3CC3)cn2)CC1 ZINC001621199854 1170738390 /nfs/dbraw/zinc/73/83/90/1170738390.db2.gz UZLALDQBEPCEHS-UHFFFAOYSA-N 1 2 244.342 2.344 20 30 BEEDLO C#C[C@H]([NH2+]Cc1nn(C)cc1Cl)C(C)(C)C ZINC001621366676 1170781629 /nfs/dbraw/zinc/78/16/29/1170781629.db2.gz WYFJDPSBGRSNHN-NSHDSACASA-N 1 2 239.750 2.211 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccnn1-c1ccc(F)cc1 ZINC001621549185 1170844426 /nfs/dbraw/zinc/84/44/26/1170844426.db2.gz GFIIKDZBFKDEMK-UHFFFAOYSA-N 1 2 243.285 2.076 20 30 BEEDLO C#CC[N@H+](C)Cc1ccnn1-c1ccc(F)cc1 ZINC001621549185 1170844433 /nfs/dbraw/zinc/84/44/33/1170844433.db2.gz GFIIKDZBFKDEMK-UHFFFAOYSA-N 1 2 243.285 2.076 20 30 BEEDLO CC[C@H](CC#N)[N@H+](C)Cc1ccncc1 ZINC000036776152 1170916042 /nfs/dbraw/zinc/91/60/42/1170916042.db2.gz SSWPPOMIIRLNHZ-GFCCVEGCSA-N 1 2 203.289 2.206 20 30 BEEDLO CC[C@H](CC#N)[N@@H+](C)Cc1ccncc1 ZINC000036776152 1170916049 /nfs/dbraw/zinc/91/60/49/1170916049.db2.gz SSWPPOMIIRLNHZ-GFCCVEGCSA-N 1 2 203.289 2.206 20 30 BEEDLO N#CCc1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC000051601312 1171904679 /nfs/dbraw/zinc/90/46/79/1171904679.db2.gz RNRQQLCZVNKQNZ-UHFFFAOYSA-N 1 2 224.267 2.473 20 30 BEEDLO N#Cc1cc(Nc2[nH+]cccc2N)ccc1F ZINC000051636044 1171904758 /nfs/dbraw/zinc/90/47/58/1171904758.db2.gz DIIZODITRKCENT-UHFFFAOYSA-N 1 2 228.230 2.418 20 30 BEEDLO C#CC[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000274190418 398150111 /nfs/dbraw/zinc/15/01/11/398150111.db2.gz QDAXFXIQZBVQJM-UHFFFAOYSA-N 1 2 228.270 2.295 20 30 BEEDLO C#CC[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000274190418 398150113 /nfs/dbraw/zinc/15/01/13/398150113.db2.gz QDAXFXIQZBVQJM-UHFFFAOYSA-N 1 2 228.270 2.295 20 30 BEEDLO C#CCCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000277829020 398153793 /nfs/dbraw/zinc/15/37/93/398153793.db2.gz PKQSPFBSKXMOOM-UHFFFAOYSA-N 1 2 244.342 2.292 20 30 BEEDLO C#CCCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000277829020 398153800 /nfs/dbraw/zinc/15/38/00/398153800.db2.gz PKQSPFBSKXMOOM-UHFFFAOYSA-N 1 2 244.342 2.292 20 30 BEEDLO C=C1CC[NH+]([C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000382474527 398172148 /nfs/dbraw/zinc/17/21/48/398172148.db2.gz GTQTXGVZSBBZAW-LLVKDONJSA-N 1 2 225.332 2.369 20 30 BEEDLO CCOc1cc(C)ccc1C[NH2+]CCC#N ZINC000576220260 365525703 /nfs/dbraw/zinc/52/57/03/365525703.db2.gz JGBNCPRAOHRHES-UHFFFAOYSA-N 1 2 218.300 2.397 20 30 BEEDLO Cc1[nH+]cccc1N[C@H]1CC[C@H](C#N)C1 ZINC000309175762 136217729 /nfs/dbraw/zinc/21/77/29/136217729.db2.gz MREQDBXOJQDIAP-QWRGUYRKSA-N 1 2 201.273 2.494 20 30 BEEDLO C=CCCCC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649885295 398163747 /nfs/dbraw/zinc/16/37/47/398163747.db2.gz NGMRILWTCFJXTE-AWEZNQCLSA-N 1 2 249.358 2.150 20 30 BEEDLO C=CCCCC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649885295 398163750 /nfs/dbraw/zinc/16/37/50/398163750.db2.gz NGMRILWTCFJXTE-AWEZNQCLSA-N 1 2 249.358 2.150 20 30 BEEDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000120450859 398166231 /nfs/dbraw/zinc/16/62/31/398166231.db2.gz OIZBBICPWQOZHN-JTQLQIEISA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@H]1COCC[N@H+]1Cc1ccc(C#N)s1 ZINC000120450859 398166234 /nfs/dbraw/zinc/16/62/34/398166234.db2.gz OIZBBICPWQOZHN-JTQLQIEISA-N 1 2 236.340 2.231 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](F)C2)c(F)c1 ZINC000335408261 398202354 /nfs/dbraw/zinc/20/23/54/398202354.db2.gz YTZMYFRSKORXAN-NSHDSACASA-N 1 2 222.238 2.241 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](F)C2)c(F)c1 ZINC000335408261 398202358 /nfs/dbraw/zinc/20/23/58/398202358.db2.gz YTZMYFRSKORXAN-NSHDSACASA-N 1 2 222.238 2.241 20 30 BEEDLO Cc1c(C#N)cccc1NCc1[nH]cc[nH+]1 ZINC000335622440 398217896 /nfs/dbraw/zinc/21/78/96/398217896.db2.gz MIMNAYIFMWHIQD-UHFFFAOYSA-N 1 2 212.256 2.202 20 30 BEEDLO COc1cc[nH+]cc1CSCCC#N ZINC000413014761 398211686 /nfs/dbraw/zinc/21/16/86/398211686.db2.gz IZLIYOKEKMDIGQ-UHFFFAOYSA-N 1 2 208.286 2.237 20 30 BEEDLO COc1ccccc1C[NH2+]CC1(C#N)CC1 ZINC000258900207 349520199 /nfs/dbraw/zinc/52/01/99/349520199.db2.gz KYSRLMRHZACLQV-UHFFFAOYSA-N 1 2 216.284 2.089 20 30 BEEDLO Cc1cc(NCc2cc(C#N)ccc2F)nc[nH+]1 ZINC000301472815 178171613 /nfs/dbraw/zinc/17/16/13/178171613.db2.gz QMBORPAPUQVXSL-UHFFFAOYSA-N 1 2 242.257 2.408 20 30 BEEDLO C=CCC1(C(=O)NCc2[nH+]ccn2CC)CCC1 ZINC000295761899 136230429 /nfs/dbraw/zinc/23/04/29/136230429.db2.gz OKLHUYDJDJAICK-UHFFFAOYSA-N 1 2 247.342 2.266 20 30 BEEDLO CCn1c[nH+]cc1CN(CCC#N)CC1CC1 ZINC000417758201 398258987 /nfs/dbraw/zinc/25/89/87/398258987.db2.gz CCWJPDHILQIZIR-UHFFFAOYSA-N 1 2 232.331 2.029 20 30 BEEDLO CC[N@@H+](Cc1cc(C)ns1)C[C@H](C)C#N ZINC000602446475 349546344 /nfs/dbraw/zinc/54/63/44/349546344.db2.gz DNEGQUYFHTYOFT-SECBINFHSA-N 1 2 223.345 2.433 20 30 BEEDLO CC[N@H+](Cc1cc(C)ns1)C[C@H](C)C#N ZINC000602446475 349546346 /nfs/dbraw/zinc/54/63/46/349546346.db2.gz DNEGQUYFHTYOFT-SECBINFHSA-N 1 2 223.345 2.433 20 30 BEEDLO CC[N@@H+](Cc1cc(C)ns1)C[C@@H](C)C#N ZINC000602446478 349546545 /nfs/dbraw/zinc/54/65/45/349546545.db2.gz DNEGQUYFHTYOFT-VIFPVBQESA-N 1 2 223.345 2.433 20 30 BEEDLO CC[N@H+](Cc1cc(C)ns1)C[C@@H](C)C#N ZINC000602446478 349546548 /nfs/dbraw/zinc/54/65/48/349546548.db2.gz DNEGQUYFHTYOFT-VIFPVBQESA-N 1 2 223.345 2.433 20 30 BEEDLO CC(C)N(CCC#N)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602448781 349549672 /nfs/dbraw/zinc/54/96/72/349549672.db2.gz PMYAKRHBKXUCBP-CYBMUJFWSA-N 1 2 246.358 2.495 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2nccnc2c1 ZINC000602463249 349557350 /nfs/dbraw/zinc/55/73/50/349557350.db2.gz TXOAKVOVPJTXIH-NSHDSACASA-N 1 2 240.310 2.364 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000602463249 349557355 /nfs/dbraw/zinc/55/73/55/349557355.db2.gz TXOAKVOVPJTXIH-NSHDSACASA-N 1 2 240.310 2.364 20 30 BEEDLO Cc1ccc(C(N)=[NH+]OCC2CC2)cc1F ZINC000124071269 178351908 /nfs/dbraw/zinc/35/19/08/178351908.db2.gz MEQVJBXTBMGFDN-UHFFFAOYSA-N 1 2 222.263 2.181 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccncc1Cl ZINC000600144731 342689839 /nfs/dbraw/zinc/68/98/39/342689839.db2.gz NLQPHSBUGYYJEH-QMMMGPOBSA-N 1 2 209.680 2.127 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000600175295 342696261 /nfs/dbraw/zinc/69/62/61/342696261.db2.gz UGXDWEKUPVNENH-ZDUSSCGKSA-N 1 2 231.299 2.288 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cnc(C3CC3)o2)C1 ZINC000600175295 342696262 /nfs/dbraw/zinc/69/62/62/342696262.db2.gz UGXDWEKUPVNENH-ZDUSSCGKSA-N 1 2 231.299 2.288 20 30 BEEDLO Cc1ccc(C[N@H+](CCC#N)C2CC2)o1 ZINC000042251193 342766675 /nfs/dbraw/zinc/76/66/75/342766675.db2.gz PGZBTHUJSJEZCP-UHFFFAOYSA-N 1 2 204.273 2.466 20 30 BEEDLO Cc1ccc(C[N@@H+](CCC#N)C2CC2)o1 ZINC000042251193 342766676 /nfs/dbraw/zinc/76/66/76/342766676.db2.gz PGZBTHUJSJEZCP-UHFFFAOYSA-N 1 2 204.273 2.466 20 30 BEEDLO CCCn1nccc1C[NH2+][C@@H](CC)CC#N ZINC000164842419 342834794 /nfs/dbraw/zinc/83/47/94/342834794.db2.gz IBEOMCZAYTZCLJ-NSHDSACASA-N 1 2 220.320 2.075 20 30 BEEDLO CCC#C[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000380146981 538986508 /nfs/dbraw/zinc/98/65/08/538986508.db2.gz WXVWJIVDKGWSHY-BDAKNGLRSA-N 1 2 223.345 2.299 20 30 BEEDLO CCC#C[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000389645632 539016632 /nfs/dbraw/zinc/01/66/32/539016632.db2.gz SQNBDJBPCWOVRU-VIFPVBQESA-N 1 2 221.329 2.092 20 30 BEEDLO C#CC[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000159494961 398314352 /nfs/dbraw/zinc/31/43/52/398314352.db2.gz JENCQPOUCFNGKJ-ZDUSSCGKSA-N 1 2 246.329 2.138 20 30 BEEDLO Cn1ccnc1[C@H]([NH2+]CC(C)(C)C#N)C1CC1 ZINC000602615632 349638300 /nfs/dbraw/zinc/63/83/00/349638300.db2.gz QNADBZRYPOHYJQ-LLVKDONJSA-N 1 2 232.331 2.011 20 30 BEEDLO COC[C@H](C)C[N@H+](CCC#N)Cc1cccnc1 ZINC000189533911 346895880 /nfs/dbraw/zinc/89/58/80/346895880.db2.gz SHLQDCOINPHPNE-CYBMUJFWSA-N 1 2 247.342 2.080 20 30 BEEDLO COC[C@H](C)C[N@@H+](CCC#N)Cc1cccnc1 ZINC000189533911 346895883 /nfs/dbraw/zinc/89/58/83/346895883.db2.gz SHLQDCOINPHPNE-CYBMUJFWSA-N 1 2 247.342 2.080 20 30 BEEDLO Cc1noc([C@@H]2CCC[N@@H+]2CC2(CC#N)CC2)n1 ZINC000602827602 349765447 /nfs/dbraw/zinc/76/54/47/349765447.db2.gz LCYUUVMWAHZGDP-NSHDSACASA-N 1 2 246.314 2.209 20 30 BEEDLO Cc1noc([C@@H]2CCC[N@H+]2CC2(CC#N)CC2)n1 ZINC000602827602 349765449 /nfs/dbraw/zinc/76/54/49/349765449.db2.gz LCYUUVMWAHZGDP-NSHDSACASA-N 1 2 246.314 2.209 20 30 BEEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000602861765 349773377 /nfs/dbraw/zinc/77/33/77/349773377.db2.gz ISEZXIZEXZCDLN-ZJUUUORDSA-N 1 2 249.289 2.044 20 30 BEEDLO Cc1ccc(C[N@@H+](C)C[C@@H](C)C#N)c(C)n1 ZINC000360063678 136268273 /nfs/dbraw/zinc/26/82/73/136268273.db2.gz MYHYAUCCPBSZDY-JTQLQIEISA-N 1 2 217.316 2.290 20 30 BEEDLO Cc1ccc(C[N@H+](C)C[C@@H](C)C#N)c(C)n1 ZINC000360063678 136268274 /nfs/dbraw/zinc/26/82/74/136268274.db2.gz MYHYAUCCPBSZDY-JTQLQIEISA-N 1 2 217.316 2.290 20 30 BEEDLO CCc1ccc(C[N@H+](C)[C@H](C)CC#N)nc1 ZINC000339018877 136271403 /nfs/dbraw/zinc/27/14/03/136271403.db2.gz JPTVQNOLEKVALG-LLVKDONJSA-N 1 2 217.316 2.378 20 30 BEEDLO CCc1ccc(C[N@@H+](C)[C@H](C)CC#N)nc1 ZINC000339018877 136271404 /nfs/dbraw/zinc/27/14/04/136271404.db2.gz JPTVQNOLEKVALG-LLVKDONJSA-N 1 2 217.316 2.378 20 30 BEEDLO CCc1ccc(C[NH2+][C@@H](C)CC#N)nc1 ZINC000602868446 349799180 /nfs/dbraw/zinc/79/91/80/349799180.db2.gz BMHMLTLNIADILX-JTQLQIEISA-N 1 2 203.289 2.036 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000042324411 136272786 /nfs/dbraw/zinc/27/27/86/136272786.db2.gz KTSVQPPGDHNUOA-NSHDSACASA-N 1 2 213.284 2.150 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000042324411 136272787 /nfs/dbraw/zinc/27/27/87/136272787.db2.gz KTSVQPPGDHNUOA-NSHDSACASA-N 1 2 213.284 2.150 20 30 BEEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(F)c1 ZINC000046438318 343210964 /nfs/dbraw/zinc/21/09/64/343210964.db2.gz WDBRRSULXXORHV-UHFFFAOYSA-N 1 2 248.301 2.438 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc2cc(F)ccc2o1 ZINC000339766444 136280883 /nfs/dbraw/zinc/28/08/83/136280883.db2.gz OQKBPVMMFACXTA-UHFFFAOYSA-N 1 2 232.258 2.422 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc2cc(F)ccc2o1 ZINC000339766444 136280884 /nfs/dbraw/zinc/28/08/84/136280884.db2.gz OQKBPVMMFACXTA-UHFFFAOYSA-N 1 2 232.258 2.422 20 30 BEEDLO C[C@@H](C[N@H+](C)CCC#N)c1nccs1 ZINC000273066863 136283238 /nfs/dbraw/zinc/28/32/38/136283238.db2.gz NSAPVUXUOWHMPF-VIFPVBQESA-N 1 2 209.318 2.092 20 30 BEEDLO C[C@@H](C[N@@H+](C)CCC#N)c1nccs1 ZINC000273066863 136283239 /nfs/dbraw/zinc/28/32/39/136283239.db2.gz NSAPVUXUOWHMPF-VIFPVBQESA-N 1 2 209.318 2.092 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)NCCCC#N ZINC000287660454 136287845 /nfs/dbraw/zinc/28/78/45/136287845.db2.gz WXVBDJZYZQNGPE-UHFFFAOYSA-N 1 2 232.287 2.124 20 30 BEEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)OCCC ZINC000120091796 136292151 /nfs/dbraw/zinc/29/21/51/136292151.db2.gz PGIZKEWWWJIFNL-LLVKDONJSA-N 1 2 211.305 2.002 20 30 BEEDLO C=CCCCCCn1cc(Cn2cc[nH+]c2)nn1 ZINC000641044241 362153129 /nfs/dbraw/zinc/15/31/29/362153129.db2.gz IKHKGYMPGUHREV-UHFFFAOYSA-N 1 2 245.330 2.269 20 30 BEEDLO Cc1noc([C@@H](C)[N@H+](C)CC2(CC#N)CC2)n1 ZINC000602872117 349804276 /nfs/dbraw/zinc/80/42/76/349804276.db2.gz CWPFESJYKMLWSL-SECBINFHSA-N 1 2 234.303 2.065 20 30 BEEDLO Cc1noc([C@@H](C)[N@@H+](C)CC2(CC#N)CC2)n1 ZINC000602872117 349804278 /nfs/dbraw/zinc/80/42/78/349804278.db2.gz CWPFESJYKMLWSL-SECBINFHSA-N 1 2 234.303 2.065 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(F)c1F ZINC000134970509 343325390 /nfs/dbraw/zinc/32/53/90/343325390.db2.gz OSLNWYMPUQBWSP-QMMMGPOBSA-N 1 2 210.227 2.357 20 30 BEEDLO N#Cc1csc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000348714083 136294507 /nfs/dbraw/zinc/29/45/07/136294507.db2.gz XWJORQMIZTVGFG-UHFFFAOYSA-N 1 2 249.314 2.447 20 30 BEEDLO CC#CC[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348789309 136301231 /nfs/dbraw/zinc/30/12/31/136301231.db2.gz CGBOJHSWKZZZAW-UHFFFAOYSA-N 1 2 233.286 2.216 20 30 BEEDLO CC#CC[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348789309 136301232 /nfs/dbraw/zinc/30/12/32/136301232.db2.gz CGBOJHSWKZZZAW-UHFFFAOYSA-N 1 2 233.286 2.216 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C)noc1C ZINC000070797211 343340996 /nfs/dbraw/zinc/34/09/96/343340996.db2.gz UBBORIQMWHKDET-JTQLQIEISA-N 1 2 207.277 2.073 20 30 BEEDLO N#CCC[N@@H+]1CCCc2sccc2C1 ZINC000609322819 343415978 /nfs/dbraw/zinc/41/59/78/343415978.db2.gz MNEUKYJOKOTJQG-UHFFFAOYSA-N 1 2 206.314 2.410 20 30 BEEDLO N#CCC[N@H+]1CCCc2sccc2C1 ZINC000609322819 343415981 /nfs/dbraw/zinc/41/59/81/343415981.db2.gz MNEUKYJOKOTJQG-UHFFFAOYSA-N 1 2 206.314 2.410 20 30 BEEDLO N#CCC1(C[N@H+]2Cc3ccc(O)cc3C2)CC1 ZINC000602916244 349808553 /nfs/dbraw/zinc/80/85/53/349808553.db2.gz MKLVQCDFJBCSND-UHFFFAOYSA-N 1 2 228.295 2.402 20 30 BEEDLO N#CCC1(C[N@@H+]2Cc3ccc(O)cc3C2)CC1 ZINC000602916244 349808556 /nfs/dbraw/zinc/80/85/56/349808556.db2.gz MKLVQCDFJBCSND-UHFFFAOYSA-N 1 2 228.295 2.402 20 30 BEEDLO C=CCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000102344821 136331972 /nfs/dbraw/zinc/33/19/72/136331972.db2.gz OOBGJDGOOIZJMF-UHFFFAOYSA-N 1 2 233.315 2.013 20 30 BEEDLO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccon1 ZINC000349250726 136332910 /nfs/dbraw/zinc/33/29/10/136332910.db2.gz ZCNFKZNKEDNXIJ-JTQLQIEISA-N 1 2 227.267 2.397 20 30 BEEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](F)C1 ZINC000330187392 136362524 /nfs/dbraw/zinc/36/25/24/136362524.db2.gz KJTROTALFYFNCV-DTWKUNHWSA-N 1 2 225.267 2.108 20 30 BEEDLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CC[C@H](F)C1 ZINC000330187392 136362525 /nfs/dbraw/zinc/36/25/25/136362525.db2.gz KJTROTALFYFNCV-DTWKUNHWSA-N 1 2 225.267 2.108 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1nccn1-c1ccccc1 ZINC000616731807 343554752 /nfs/dbraw/zinc/55/47/52/343554752.db2.gz XFJGPASMMDQPTF-GFCCVEGCSA-N 1 2 240.310 2.264 20 30 BEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCCC#N ZINC000167631735 534943997 /nfs/dbraw/zinc/94/39/97/534943997.db2.gz GGHFUWWADWLING-LLVKDONJSA-N 1 2 238.331 2.096 20 30 BEEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCCC#N ZINC000167631735 534944003 /nfs/dbraw/zinc/94/40/03/534944003.db2.gz GGHFUWWADWLING-LLVKDONJSA-N 1 2 238.331 2.096 20 30 BEEDLO N#CCC[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000572751662 323052440 /nfs/dbraw/zinc/05/24/40/323052440.db2.gz PWOIADFUMGPMNH-LLVKDONJSA-N 1 2 220.247 2.153 20 30 BEEDLO CCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)nc1 ZINC000083596381 343639243 /nfs/dbraw/zinc/63/92/43/343639243.db2.gz HXOYCIMSGPIANY-GFCCVEGCSA-N 1 2 247.342 2.462 20 30 BEEDLO CCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)nc1 ZINC000083596381 343639245 /nfs/dbraw/zinc/63/92/45/343639245.db2.gz HXOYCIMSGPIANY-GFCCVEGCSA-N 1 2 247.342 2.462 20 30 BEEDLO CCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)nc1 ZINC000083596379 343639459 /nfs/dbraw/zinc/63/94/59/343639459.db2.gz HXOYCIMSGPIANY-LBPRGKRZSA-N 1 2 247.342 2.462 20 30 BEEDLO CCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)nc1 ZINC000083596379 343639463 /nfs/dbraw/zinc/63/94/63/343639463.db2.gz HXOYCIMSGPIANY-LBPRGKRZSA-N 1 2 247.342 2.462 20 30 BEEDLO COc1cc[nH+]c(CN(C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602975973 349839880 /nfs/dbraw/zinc/83/98/80/349839880.db2.gz JIQNDTJOMPKGGA-FZMZJTMJSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccnc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602975973 349839881 /nfs/dbraw/zinc/83/98/81/349839881.db2.gz JIQNDTJOMPKGGA-FZMZJTMJSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccnc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602975973 349839883 /nfs/dbraw/zinc/83/98/83/349839883.db2.gz JIQNDTJOMPKGGA-FZMZJTMJSA-N 1 2 245.326 2.214 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(C)cn1 ZINC000088135354 343707570 /nfs/dbraw/zinc/70/75/70/343707570.db2.gz DKRRZLVLYOYRJY-LLVKDONJSA-N 1 2 203.289 2.172 20 30 BEEDLO COc1cc[nH+]c(CN(C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602975974 349840271 /nfs/dbraw/zinc/84/02/71/349840271.db2.gz JIQNDTJOMPKGGA-RISCZKNCSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccnc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602975974 349840276 /nfs/dbraw/zinc/84/02/76/349840276.db2.gz JIQNDTJOMPKGGA-RISCZKNCSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccnc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602975974 349840279 /nfs/dbraw/zinc/84/02/79/349840279.db2.gz JIQNDTJOMPKGGA-RISCZKNCSA-N 1 2 245.326 2.214 20 30 BEEDLO C[N@H+](Cc1cncc(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602979364 349844351 /nfs/dbraw/zinc/84/43/51/349844351.db2.gz CKKOQUATPGJMIL-WCQYABFASA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1cncc(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602979364 349844354 /nfs/dbraw/zinc/84/43/54/349844354.db2.gz CKKOQUATPGJMIL-WCQYABFASA-N 1 2 233.290 2.345 20 30 BEEDLO CCOCCC[N@H+](CC#N)C1CCCC1 ZINC000088218865 343713708 /nfs/dbraw/zinc/71/37/08/343713708.db2.gz SUKCQXDGDSTYFE-UHFFFAOYSA-N 1 2 210.321 2.181 20 30 BEEDLO CCOCCC[N@@H+](CC#N)C1CCCC1 ZINC000088218865 343713709 /nfs/dbraw/zinc/71/37/09/343713709.db2.gz SUKCQXDGDSTYFE-UHFFFAOYSA-N 1 2 210.321 2.181 20 30 BEEDLO CC(C)n1cc(C[N@H+](C)[C@H](C)CC#N)cn1 ZINC000179452743 346985237 /nfs/dbraw/zinc/98/52/37/346985237.db2.gz XCFJUXLLFREQNV-LLVKDONJSA-N 1 2 220.320 2.198 20 30 BEEDLO CC(C)n1cc(C[N@@H+](C)[C@H](C)CC#N)cn1 ZINC000179452743 346985240 /nfs/dbraw/zinc/98/52/40/346985240.db2.gz XCFJUXLLFREQNV-LLVKDONJSA-N 1 2 220.320 2.198 20 30 BEEDLO C=CC(C)(C)CCNc1nc[nH+]c(C)c1OC ZINC000624432748 343851199 /nfs/dbraw/zinc/85/11/99/343851199.db2.gz ZEDVAOWEQCOSMJ-UHFFFAOYSA-N 1 2 235.331 2.230 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(F)ccc1O ZINC000180075776 347012742 /nfs/dbraw/zinc/01/27/42/347012742.db2.gz GICFAJWLCGZPQS-VIFPVBQESA-N 1 2 222.263 2.265 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180075776 347012744 /nfs/dbraw/zinc/01/27/44/347012744.db2.gz GICFAJWLCGZPQS-VIFPVBQESA-N 1 2 222.263 2.265 20 30 BEEDLO N#CCc1cc[nH+]c(NCc2nccs2)c1 ZINC000393790345 343928087 /nfs/dbraw/zinc/92/80/87/343928087.db2.gz YJNILFLYZVXMHJ-UHFFFAOYSA-N 1 2 230.296 2.216 20 30 BEEDLO C=CC[C@H]1CC[N@@H+](Cc2noc(CC)n2)C1 ZINC000625703175 344046978 /nfs/dbraw/zinc/04/69/78/344046978.db2.gz LYYUKMWFIVHVJL-JTQLQIEISA-N 1 2 221.304 2.030 20 30 BEEDLO C=CC[C@H]1CC[N@H+](Cc2noc(CC)n2)C1 ZINC000625703175 344046979 /nfs/dbraw/zinc/04/69/79/344046979.db2.gz LYYUKMWFIVHVJL-JTQLQIEISA-N 1 2 221.304 2.030 20 30 BEEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000130067562 344110527 /nfs/dbraw/zinc/11/05/27/344110527.db2.gz MCRBPBYUULYOPE-UHFFFAOYSA-N 1 2 247.313 2.288 20 30 BEEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC000130067562 344110531 /nfs/dbraw/zinc/11/05/31/344110531.db2.gz MCRBPBYUULYOPE-UHFFFAOYSA-N 1 2 247.313 2.288 20 30 BEEDLO N#Cc1ccc(Nc2[nH+]cccc2N)cc1F ZINC000218464589 344239073 /nfs/dbraw/zinc/23/90/73/344239073.db2.gz KJFFIIALZFMTPX-UHFFFAOYSA-N 1 2 228.230 2.418 20 30 BEEDLO Cc1ccc(F)cc1C[N@H+](C)CCC#N ZINC000129152046 344211452 /nfs/dbraw/zinc/21/14/52/344211452.db2.gz IJBUBPKWVMEIJC-UHFFFAOYSA-N 1 2 206.264 2.480 20 30 BEEDLO Cc1ccc(F)cc1C[N@@H+](C)CCC#N ZINC000129152046 344211454 /nfs/dbraw/zinc/21/14/54/344211454.db2.gz IJBUBPKWVMEIJC-UHFFFAOYSA-N 1 2 206.264 2.480 20 30 BEEDLO CCc1nocc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590359990 347031795 /nfs/dbraw/zinc/03/17/95/347031795.db2.gz JGXJDHAOCWRDFU-CYBMUJFWSA-N 1 2 233.315 2.363 20 30 BEEDLO CCc1nocc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590359990 347031797 /nfs/dbraw/zinc/03/17/97/347031797.db2.gz JGXJDHAOCWRDFU-CYBMUJFWSA-N 1 2 233.315 2.363 20 30 BEEDLO C[N@H+](CCC#N)Cc1cc(F)cc(F)c1 ZINC000127949302 344202660 /nfs/dbraw/zinc/20/26/60/344202660.db2.gz YKZWYLGJYWKEOR-UHFFFAOYSA-N 1 2 210.227 2.310 20 30 BEEDLO C[N@@H+](CCC#N)Cc1cc(F)cc(F)c1 ZINC000127949302 344202662 /nfs/dbraw/zinc/20/26/62/344202662.db2.gz YKZWYLGJYWKEOR-UHFFFAOYSA-N 1 2 210.227 2.310 20 30 BEEDLO C=C[C@@H]([NH2+]CC[C@@H](C)c1ccccc1)C(=O)OC ZINC000310696833 344261300 /nfs/dbraw/zinc/26/13/00/344261300.db2.gz VNCMZDSBEMNDFP-TZMCWYRMSA-N 1 2 247.338 2.497 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1c(F)cccc1F ZINC000166010482 344272794 /nfs/dbraw/zinc/27/27/94/344272794.db2.gz XZZVZDQHPNAMII-MRVPVSSYSA-N 1 2 210.227 2.357 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)on1 ZINC000600859965 344383173 /nfs/dbraw/zinc/38/31/73/344383173.db2.gz ORHWMNCRHIGGCR-CMPLNLGQSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)on1 ZINC000600859965 344383175 /nfs/dbraw/zinc/38/31/75/344383175.db2.gz ORHWMNCRHIGGCR-CMPLNLGQSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)on1 ZINC000600859966 344383378 /nfs/dbraw/zinc/38/33/78/344383378.db2.gz ORHWMNCRHIGGCR-JQWIXIFHSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)on1 ZINC000600859966 344383380 /nfs/dbraw/zinc/38/33/80/344383380.db2.gz ORHWMNCRHIGGCR-JQWIXIFHSA-N 1 2 219.288 2.107 20 30 BEEDLO N#CCC1(C[NH2+][C@@H]2CCCc3[nH]ncc32)CC1 ZINC000367613967 347048745 /nfs/dbraw/zinc/04/87/45/347048745.db2.gz GRTSWLGNFSWYKV-LLVKDONJSA-N 1 2 230.315 2.071 20 30 BEEDLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000381345407 344497439 /nfs/dbraw/zinc/49/74/39/344497439.db2.gz YVJZLGVLRCRHFA-INTQDDNPSA-N 1 2 218.304 2.061 20 30 BEEDLO N#C[C@@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC000119863435 344637297 /nfs/dbraw/zinc/63/72/97/344637297.db2.gz WIAZGPDAGOMGSS-CYBMUJFWSA-N 1 2 222.332 2.181 20 30 BEEDLO N#C[C@@H]1C[N@@H+](CC2CCCCCC2)CCO1 ZINC000119863435 344637298 /nfs/dbraw/zinc/63/72/98/344637298.db2.gz WIAZGPDAGOMGSS-CYBMUJFWSA-N 1 2 222.332 2.181 20 30 BEEDLO CCOc1ccc(O)c(/C=[NH+]/CC2(C)COC2)c1 ZINC000112561688 344646264 /nfs/dbraw/zinc/64/62/64/344646264.db2.gz CVIKHPFFUUFGBI-VIZOYTHASA-N 1 2 249.310 2.246 20 30 BEEDLO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC#N ZINC000115552683 344711789 /nfs/dbraw/zinc/71/17/89/344711789.db2.gz RWPJFCWCNFDCGP-WCQYABFASA-N 1 2 200.285 2.388 20 30 BEEDLO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC#N ZINC000115552683 344711792 /nfs/dbraw/zinc/71/17/92/344711792.db2.gz RWPJFCWCNFDCGP-WCQYABFASA-N 1 2 200.285 2.388 20 30 BEEDLO NC(COc1ccccc1)=[NH+]OC1CCCC1 ZINC000181873578 347076158 /nfs/dbraw/zinc/07/61/58/347076158.db2.gz LWGZKICPSPYJNV-UHFFFAOYSA-N 1 2 234.299 2.297 20 30 BEEDLO CCc1nc(C)c(C[NH2+]C[C@H](C#N)CCC#N)o1 ZINC000583417561 344926870 /nfs/dbraw/zinc/92/68/70/344926870.db2.gz AQEGPJKLLCZONC-NSHDSACASA-N 1 2 246.314 2.079 20 30 BEEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCC#N ZINC000122884810 344978614 /nfs/dbraw/zinc/97/86/14/344978614.db2.gz WWSIWUYKDCSDJL-LLVKDONJSA-N 1 2 213.284 2.465 20 30 BEEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCC#N ZINC000122884810 344978615 /nfs/dbraw/zinc/97/86/15/344978615.db2.gz WWSIWUYKDCSDJL-LLVKDONJSA-N 1 2 213.284 2.465 20 30 BEEDLO Cc1cc(N[C@H]2C=CCCC2)c(C#N)c[nH+]1 ZINC000425232707 192084496 /nfs/dbraw/zinc/08/44/96/192084496.db2.gz FQESPZNOLWUVGI-LBPRGKRZSA-N 1 2 213.284 2.204 20 30 BEEDLO Cc1cc(C(N)=[NH+]OCC2CC2)ccc1F ZINC000124091753 345028161 /nfs/dbraw/zinc/02/81/61/345028161.db2.gz DGLOJXUQNGWMKG-UHFFFAOYSA-N 1 2 222.263 2.181 20 30 BEEDLO C#C[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000166418234 166211284 /nfs/dbraw/zinc/21/12/84/166211284.db2.gz JJIUHRQNWXMHGX-MRVPVSSYSA-N 1 2 209.676 2.157 20 30 BEEDLO C=C1CN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000641658328 362582674 /nfs/dbraw/zinc/58/26/74/362582674.db2.gz GAJBIQWUWJHWOP-UHFFFAOYSA-N 1 2 201.273 2.039 20 30 BEEDLO C=CC(C)(C)CNc1cc(CO)cc[nH+]1 ZINC000641635032 362565193 /nfs/dbraw/zinc/56/51/93/362565193.db2.gz LQZFBMFHYGPINK-UHFFFAOYSA-N 1 2 206.289 2.198 20 30 BEEDLO CO[C@@H](CNc1cc(C)[nH+]cc1C#N)CC(C)C ZINC000425267263 192086896 /nfs/dbraw/zinc/08/68/96/192086896.db2.gz LGJSHMHWDUIVAH-CYBMUJFWSA-N 1 2 247.342 2.157 20 30 BEEDLO Cc1cc(NCC(C)(C)CC#N)c(C#N)c[nH+]1 ZINC000425271983 192087198 /nfs/dbraw/zinc/08/71/98/192087198.db2.gz WASYRYPFSJJNNX-UHFFFAOYSA-N 1 2 228.299 2.035 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+](CCC#N)Cc1ccco1 ZINC000133002454 345355706 /nfs/dbraw/zinc/35/57/06/345355706.db2.gz PQIORYPJPAREJH-CYBMUJFWSA-N 1 2 248.326 2.322 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+](CCC#N)Cc1ccco1 ZINC000133002454 345355708 /nfs/dbraw/zinc/35/57/08/345355708.db2.gz PQIORYPJPAREJH-CYBMUJFWSA-N 1 2 248.326 2.322 20 30 BEEDLO Oc1ccccc1/C=[NH+]/[C@H]1CC[C@H](O)CC1 ZINC000133111088 345361529 /nfs/dbraw/zinc/36/15/29/345361529.db2.gz FSGJJAWJKDYIEJ-BHZZPZCXSA-N 1 2 219.284 2.115 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccccc1N(C)C ZINC000081040379 345459365 /nfs/dbraw/zinc/45/93/65/345459365.db2.gz HEVSHVUIXCJBKA-UHFFFAOYSA-N 1 2 231.343 2.488 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccccc1N(C)C ZINC000081040379 345459369 /nfs/dbraw/zinc/45/93/69/345459369.db2.gz HEVSHVUIXCJBKA-UHFFFAOYSA-N 1 2 231.343 2.488 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(Cl)o1 ZINC000093461327 345672919 /nfs/dbraw/zinc/67/29/19/345672919.db2.gz WPUXOCOFINFVNC-UHFFFAOYSA-N 1 2 207.660 2.001 20 30 BEEDLO CC(C)(CCC#N)CNc1ccc(CO)c[nH+]1 ZINC000291003809 535006920 /nfs/dbraw/zinc/00/69/20/535006920.db2.gz BDGVFBDPHJOSTE-UHFFFAOYSA-N 1 2 233.315 2.316 20 30 BEEDLO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000191867843 346071980 /nfs/dbraw/zinc/07/19/80/346071980.db2.gz OORPHLJEFMIMAX-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000191867843 346071982 /nfs/dbraw/zinc/07/19/82/346071982.db2.gz OORPHLJEFMIMAX-UHFFFAOYSA-N 1 2 248.301 2.308 20 30 BEEDLO C=CC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000167800240 346717501 /nfs/dbraw/zinc/71/75/01/346717501.db2.gz HJMUXUMLNZXASP-UHFFFAOYSA-N 1 2 238.281 2.273 20 30 BEEDLO C[N@H+](Cc1cn[nH]c1)Cc1cccc(F)c1C#N ZINC000589990093 346759786 /nfs/dbraw/zinc/75/97/86/346759786.db2.gz KXNNHJWSKMJXOU-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C[N@@H+](Cc1cn[nH]c1)Cc1cccc(F)c1C#N ZINC000589990093 346759787 /nfs/dbraw/zinc/75/97/87/346759787.db2.gz KXNNHJWSKMJXOU-UHFFFAOYSA-N 1 2 244.273 2.052 20 30 BEEDLO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@H](C#N)C1 ZINC000183051540 347117558 /nfs/dbraw/zinc/11/75/58/347117558.db2.gz SYEQLWJCPUELCR-FRRDWIJNSA-N 1 2 222.332 2.037 20 30 BEEDLO C[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@H](C#N)C1 ZINC000183051540 347117561 /nfs/dbraw/zinc/11/75/61/347117561.db2.gz SYEQLWJCPUELCR-FRRDWIJNSA-N 1 2 222.332 2.037 20 30 BEEDLO COc1cccc(C(N)=[NH+]OC2CCCC2)c1 ZINC000183260600 347123093 /nfs/dbraw/zinc/12/30/93/347123093.db2.gz JHWYOWGVCKEILZ-UHFFFAOYSA-N 1 2 234.299 2.275 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cc(C#N)ccc1F ZINC000309741977 347152103 /nfs/dbraw/zinc/15/21/03/347152103.db2.gz HYSNDOOLUDJBSC-SECBINFHSA-N 1 2 217.247 2.089 20 30 BEEDLO C=C(CC)C[NH2+]C(C)(C)c1noc(CC)n1 ZINC000309754015 347154612 /nfs/dbraw/zinc/15/46/12/347154612.db2.gz HGQYHPTYYRSEKZ-UHFFFAOYSA-N 1 2 223.320 2.423 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000186214501 347227959 /nfs/dbraw/zinc/22/79/59/347227959.db2.gz SGZFYEGMFRINQA-SECBINFHSA-N 1 2 222.263 2.265 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000186214501 347227962 /nfs/dbraw/zinc/22/79/62/347227962.db2.gz SGZFYEGMFRINQA-SECBINFHSA-N 1 2 222.263 2.265 20 30 BEEDLO Cc1cc(N[C@H]2CC[C@@H](CC#N)C2)nc[nH+]1 ZINC000382376549 347298941 /nfs/dbraw/zinc/29/89/41/347298941.db2.gz ICRLBEJLKOHTMD-QWRGUYRKSA-N 1 2 216.288 2.279 20 30 BEEDLO CCc1cnc(C[NH2+][C@H](CC)CC#N)s1 ZINC000336762865 347302988 /nfs/dbraw/zinc/30/29/88/347302988.db2.gz OEVRLSAGWSQSBL-SECBINFHSA-N 1 2 223.345 2.487 20 30 BEEDLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCC#N)o1 ZINC000020199485 347412616 /nfs/dbraw/zinc/41/26/16/347412616.db2.gz VSAAKVVEWBDVCD-ONGXEEELSA-N 1 2 204.273 2.406 20 30 BEEDLO C[C@H]1C[C@H](Nc2ncccc2C#N)c2[nH+]ccn21 ZINC000590723747 347494180 /nfs/dbraw/zinc/49/41/80/347494180.db2.gz ZACQZIOVHRRWFH-ONGXEEELSA-N 1 2 239.282 2.268 20 30 BEEDLO C=CCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590728157 347497222 /nfs/dbraw/zinc/49/72/22/347497222.db2.gz RHPORABVPKONSO-GFCCVEGCSA-N 1 2 233.315 2.013 20 30 BEEDLO C=CCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590728158 347497339 /nfs/dbraw/zinc/49/73/39/347497339.db2.gz RHPORABVPKONSO-LBPRGKRZSA-N 1 2 233.315 2.013 20 30 BEEDLO Cc1[nH]ncc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000591243325 347633378 /nfs/dbraw/zinc/63/33/78/347633378.db2.gz LDTOXZSJMBZDSE-SECBINFHSA-N 1 2 220.320 2.309 20 30 BEEDLO C=C[C@H]([NH2+][C@H](C)CCC=C(C)C)C(=O)OC ZINC000591374973 347649476 /nfs/dbraw/zinc/64/94/76/347649476.db2.gz BWTSYWUUNJPOFW-NEPJUHHUSA-N 1 2 225.332 2.439 20 30 BEEDLO C=C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C1CC1)C(=O)OC ZINC000591377331 347651201 /nfs/dbraw/zinc/65/12/01/347651201.db2.gz LTHBDSKSRMRPBI-XQQFMLRXSA-N 1 2 237.343 2.130 20 30 BEEDLO CCOc1ccc2c(c1)[C@H]([NH2+]CCC#N)CCO2 ZINC000591761028 347692786 /nfs/dbraw/zinc/69/27/86/347692786.db2.gz CRSRJXJOUCRMDB-CYBMUJFWSA-N 1 2 246.310 2.412 20 30 BEEDLO N#Cc1cnccc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000592084270 347730473 /nfs/dbraw/zinc/73/04/73/347730473.db2.gz BAIOGQFGSMBGEA-SNVBAGLBSA-N 1 2 237.253 2.040 20 30 BEEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000592084270 347730478 /nfs/dbraw/zinc/73/04/78/347730478.db2.gz BAIOGQFGSMBGEA-SNVBAGLBSA-N 1 2 237.253 2.040 20 30 BEEDLO Cc1nc([C@H](C)[NH+]2CCC(CCC#N)CC2)no1 ZINC000592135179 347747462 /nfs/dbraw/zinc/74/74/62/347747462.db2.gz REIWBXSBJRQVDB-JTQLQIEISA-N 1 2 248.330 2.455 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000593030462 347841884 /nfs/dbraw/zinc/84/18/84/347841884.db2.gz OBZOMCLINLVBHK-NSHDSACASA-N 1 2 249.245 2.010 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000593030462 347841886 /nfs/dbraw/zinc/84/18/86/347841886.db2.gz OBZOMCLINLVBHK-NSHDSACASA-N 1 2 249.245 2.010 20 30 BEEDLO COc1ccc(C2CC[NH+](CCC#N)CC2)nc1 ZINC000593041444 347843936 /nfs/dbraw/zinc/84/39/36/347843936.db2.gz PAQZXQPPNZBFLX-UHFFFAOYSA-N 1 2 245.326 2.183 20 30 BEEDLO CC[C@@H]1C[N@H+](CC2(C#N)CC2)[C@@H](CC)CO1 ZINC000593058059 347847977 /nfs/dbraw/zinc/84/79/77/347847977.db2.gz ILXLVEBACLIBIL-NWDGAFQWSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@@H]1C[N@@H+](CC2(C#N)CC2)[C@@H](CC)CO1 ZINC000593058059 347847978 /nfs/dbraw/zinc/84/79/78/347847978.db2.gz ILXLVEBACLIBIL-NWDGAFQWSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCCC#N ZINC000593118122 347862901 /nfs/dbraw/zinc/86/29/01/347862901.db2.gz RJBJHPCUQZVAOL-LLVKDONJSA-N 1 2 240.347 2.342 20 30 BEEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCCC#N ZINC000593118122 347862903 /nfs/dbraw/zinc/86/29/03/347862903.db2.gz RJBJHPCUQZVAOL-LLVKDONJSA-N 1 2 240.347 2.342 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593119611 347862957 /nfs/dbraw/zinc/86/29/57/347862957.db2.gz CIJDJIVYEIDRFB-CQSZACIVSA-N 1 2 242.322 2.201 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593119611 347862958 /nfs/dbraw/zinc/86/29/58/347862958.db2.gz CIJDJIVYEIDRFB-CQSZACIVSA-N 1 2 242.322 2.201 20 30 BEEDLO CC[C@H](C#N)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000593442607 347891350 /nfs/dbraw/zinc/89/13/50/347891350.db2.gz VDIBZUQVGGWHKG-MNOVXSKESA-N 1 2 246.314 2.013 20 30 BEEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)C2(CCC2)CO1 ZINC000593679896 347932380 /nfs/dbraw/zinc/93/23/80/347932380.db2.gz QKGNXPUJIVEPAD-NSHDSACASA-N 1 2 246.310 2.295 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)C2(CCC2)CO1 ZINC000593679896 347932383 /nfs/dbraw/zinc/93/23/83/347932383.db2.gz QKGNXPUJIVEPAD-NSHDSACASA-N 1 2 246.310 2.295 20 30 BEEDLO COc1ccc(C[NH2+]CC2(C#N)CC2)c(F)c1 ZINC000593622652 347917182 /nfs/dbraw/zinc/91/71/82/347917182.db2.gz QJZIYEWZDNKRAY-UHFFFAOYSA-N 1 2 234.274 2.228 20 30 BEEDLO N#CC1(C[NH2+]Cc2nccs2)CCCC1 ZINC000593652759 347921554 /nfs/dbraw/zinc/92/15/54/347921554.db2.gz KMXVVZDWRIEDJX-UHFFFAOYSA-N 1 2 221.329 2.317 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)nc1 ZINC000593968384 347974137 /nfs/dbraw/zinc/97/41/37/347974137.db2.gz CWLRUMGAUVVUBJ-UHFFFAOYSA-N 1 2 249.264 2.184 20 30 BEEDLO C[C@H](C#N)C[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000593968624 347974477 /nfs/dbraw/zinc/97/44/77/347974477.db2.gz WCXVGLQBMLWVRR-LLVKDONJSA-N 1 2 240.310 2.077 20 30 BEEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000593968624 347974480 /nfs/dbraw/zinc/97/44/80/347974480.db2.gz WCXVGLQBMLWVRR-LLVKDONJSA-N 1 2 240.310 2.077 20 30 BEEDLO CCc1noc(C)c1C[NH2+][C@H](CC)CC#N ZINC000594008848 347984824 /nfs/dbraw/zinc/98/48/24/347984824.db2.gz AMBUUTUYTKVOPJ-SNVBAGLBSA-N 1 2 221.304 2.327 20 30 BEEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1nccs1 ZINC000594013096 347988914 /nfs/dbraw/zinc/98/89/14/347988914.db2.gz RSIQRKMNGVWMOK-VIFPVBQESA-N 1 2 244.323 2.261 20 30 BEEDLO N#Cc1csc(C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000594609494 348081134 /nfs/dbraw/zinc/08/11/34/348081134.db2.gz ZCUSUEMLOPIERM-UHFFFAOYSA-N 1 2 240.278 2.461 20 30 BEEDLO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cscn1 ZINC000594965716 348160504 /nfs/dbraw/zinc/16/05/04/348160504.db2.gz IHEQYBHJJBJNFU-SECBINFHSA-N 1 2 246.339 2.204 20 30 BEEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cscn1 ZINC000594966220 348160739 /nfs/dbraw/zinc/16/07/39/348160739.db2.gz QUXHXDQLEIMTEC-QMMMGPOBSA-N 1 2 233.296 2.459 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cnc2ccccc2n1 ZINC000595302536 348219634 /nfs/dbraw/zinc/21/96/34/348219634.db2.gz VJPFGTRKZLBGCO-NSHDSACASA-N 1 2 240.310 2.221 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cnc2ccccc2n1 ZINC000595302536 348219636 /nfs/dbraw/zinc/21/96/36/348219636.db2.gz VJPFGTRKZLBGCO-NSHDSACASA-N 1 2 240.310 2.221 20 30 BEEDLO C=CCCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000175486882 187390888 /nfs/dbraw/zinc/39/08/88/187390888.db2.gz CKUNGYVGXMACOC-UHFFFAOYSA-N 1 2 247.342 2.403 20 30 BEEDLO C[C@]1(C#N)CCC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000595424463 348246078 /nfs/dbraw/zinc/24/60/78/348246078.db2.gz IQFCKDJCAYJDMV-GHMZBOCLSA-N 1 2 244.285 2.036 20 30 BEEDLO C[C@]1(C#N)CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000595424463 348246079 /nfs/dbraw/zinc/24/60/79/348246079.db2.gz IQFCKDJCAYJDMV-GHMZBOCLSA-N 1 2 244.285 2.036 20 30 BEEDLO C=CCCCC(=O)NCCCNc1cccc[nH+]1 ZINC000175654755 187390998 /nfs/dbraw/zinc/39/09/98/187390998.db2.gz AJYUDQMIXIKBLV-UHFFFAOYSA-N 1 2 247.342 2.356 20 30 BEEDLO CO[C@@H](C[NH+]1CC(C)(C#N)C1)C1CCCC1 ZINC000595465273 348257634 /nfs/dbraw/zinc/25/76/34/348257634.db2.gz BGNGZZMYEBAQTK-LBPRGKRZSA-N 1 2 222.332 2.037 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cnc2ccccc2n1 ZINC000595345142 348235089 /nfs/dbraw/zinc/23/50/89/348235089.db2.gz PHHHINWBSUXPTH-LLVKDONJSA-N 1 2 240.310 2.364 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cnc2ccccc2n1 ZINC000595345142 348235092 /nfs/dbraw/zinc/23/50/92/348235092.db2.gz PHHHINWBSUXPTH-LLVKDONJSA-N 1 2 240.310 2.364 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cnc2ccccc2n1 ZINC000595345144 348235309 /nfs/dbraw/zinc/23/53/09/348235309.db2.gz PHHHINWBSUXPTH-NSHDSACASA-N 1 2 240.310 2.364 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cnc2ccccc2n1 ZINC000595345144 348235312 /nfs/dbraw/zinc/23/53/12/348235312.db2.gz PHHHINWBSUXPTH-NSHDSACASA-N 1 2 240.310 2.364 20 30 BEEDLO CC[C@@H](C[N@@H+]1CCCC(C)(C)[C@H]1C#N)OC ZINC000419303848 192120486 /nfs/dbraw/zinc/12/04/86/192120486.db2.gz INIDOORFHYZWEK-NWDGAFQWSA-N 1 2 224.348 2.426 20 30 BEEDLO CC[C@@H](C[N@H+]1CCCC(C)(C)[C@H]1C#N)OC ZINC000419303848 192120488 /nfs/dbraw/zinc/12/04/88/192120488.db2.gz INIDOORFHYZWEK-NWDGAFQWSA-N 1 2 224.348 2.426 20 30 BEEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C2CCC2)CC1 ZINC000595661035 348300255 /nfs/dbraw/zinc/30/02/55/348300255.db2.gz WPQQHKJPAQCRGY-ZDUSSCGKSA-N 1 2 237.343 2.226 20 30 BEEDLO C[C@H](C#N)[N@H+](C[C@H]1CCO[C@H](C)C1)C1CC1 ZINC000595709919 348321567 /nfs/dbraw/zinc/32/15/67/348321567.db2.gz KJXSRNJDNCYFTA-UTUOFQBUSA-N 1 2 222.332 2.178 20 30 BEEDLO C[C@H](C#N)[N@@H+](C[C@H]1CCO[C@H](C)C1)C1CC1 ZINC000595709919 348321573 /nfs/dbraw/zinc/32/15/73/348321573.db2.gz KJXSRNJDNCYFTA-UTUOFQBUSA-N 1 2 222.332 2.178 20 30 BEEDLO C=C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)C(=O)OC ZINC000595706149 348308311 /nfs/dbraw/zinc/30/83/11/348308311.db2.gz GWWQLGKJRQUYHK-ZLKJLUDKSA-N 1 2 245.322 2.032 20 30 BEEDLO CCN(Cc1cn2cc(C)ccc2[nH+]1)[C@@H](C)C#N ZINC000595811491 348351003 /nfs/dbraw/zinc/35/10/03/348351003.db2.gz CHVHOKFXXLSGIG-LBPRGKRZSA-N 1 2 242.326 2.377 20 30 BEEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1CC1(C#N)CC1 ZINC000595815360 348342779 /nfs/dbraw/zinc/34/27/79/348342779.db2.gz OMURDHROFDKNEB-LBPRGKRZSA-N 1 2 234.343 2.324 20 30 BEEDLO C[C@H]1COC2(CCCC2)C[N@H+]1CC1(C#N)CC1 ZINC000595815360 348342781 /nfs/dbraw/zinc/34/27/81/348342781.db2.gz OMURDHROFDKNEB-LBPRGKRZSA-N 1 2 234.343 2.324 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](CCOc2ccccc2F)C1 ZINC000595835965 348369738 /nfs/dbraw/zinc/36/97/38/348369738.db2.gz TZYGQHQXQQASBF-CQSZACIVSA-N 1 2 248.301 2.440 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](CCOc2ccccc2F)C1 ZINC000595835965 348369743 /nfs/dbraw/zinc/36/97/43/348369743.db2.gz TZYGQHQXQQASBF-CQSZACIVSA-N 1 2 248.301 2.440 20 30 BEEDLO Cc1nc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)s1 ZINC000595837773 348371745 /nfs/dbraw/zinc/37/17/45/348371745.db2.gz MGRPVCUEOUUCFP-GFCCVEGCSA-N 1 2 235.356 2.496 20 30 BEEDLO Cc1nc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)s1 ZINC000595837773 348371748 /nfs/dbraw/zinc/37/17/48/348371748.db2.gz MGRPVCUEOUUCFP-GFCCVEGCSA-N 1 2 235.356 2.496 20 30 BEEDLO C[C@@H](c1ccccn1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840338 348373790 /nfs/dbraw/zinc/37/37/90/348373790.db2.gz NTAVHSOQZGHXPD-WCQYABFASA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1ccccn1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840338 348373794 /nfs/dbraw/zinc/37/37/94/348373794.db2.gz NTAVHSOQZGHXPD-WCQYABFASA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1cccnc1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841407 348375964 /nfs/dbraw/zinc/37/59/64/348375964.db2.gz VPHZNAZBSIAQGA-YPMHNXCESA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H](c1cccnc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841407 348375966 /nfs/dbraw/zinc/37/59/66/348375966.db2.gz VPHZNAZBSIAQGA-YPMHNXCESA-N 1 2 215.300 2.378 20 30 BEEDLO C=C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)C(=O)OC ZINC000595818387 348358539 /nfs/dbraw/zinc/35/85/39/348358539.db2.gz HUUFGJVIQHQHAO-XKGSQUFQSA-N 1 2 243.322 2.220 20 30 BEEDLO CC[N@H+](C[C@@H]1CCO[C@H](C)C1)[C@@H](C)C#N ZINC000595819779 348360210 /nfs/dbraw/zinc/36/02/10/348360210.db2.gz DVEBBWMZAFKNKY-QJPTWQEYSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@@H+](C[C@@H]1CCO[C@H](C)C1)[C@@H](C)C#N ZINC000595819779 348360214 /nfs/dbraw/zinc/36/02/14/348360214.db2.gz DVEBBWMZAFKNKY-QJPTWQEYSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[N@H+](C[C@H](O)CCC(C)C)[C@@H](C)C#N ZINC000595820092 348360776 /nfs/dbraw/zinc/36/07/76/348360776.db2.gz JEQKGKKDMKRMFC-NWDGAFQWSA-N 1 2 212.337 2.017 20 30 BEEDLO CC[N@@H+](C[C@H](O)CCC(C)C)[C@@H](C)C#N ZINC000595820092 348360779 /nfs/dbraw/zinc/36/07/79/348360779.db2.gz JEQKGKKDMKRMFC-NWDGAFQWSA-N 1 2 212.337 2.017 20 30 BEEDLO CC[N@H+](CC[C@H]1CCCCO1)[C@H](C)C#N ZINC000595819932 348361196 /nfs/dbraw/zinc/36/11/96/348361196.db2.gz GVTRJWJDUPQDJM-VXGBXAGGSA-N 1 2 210.321 2.180 20 30 BEEDLO CC[N@@H+](CC[C@H]1CCCCO1)[C@H](C)C#N ZINC000595819932 348361201 /nfs/dbraw/zinc/36/12/01/348361201.db2.gz GVTRJWJDUPQDJM-VXGBXAGGSA-N 1 2 210.321 2.180 20 30 BEEDLO CCc1cc(CCC[N@@H+](CC)[C@@H](C)C#N)on1 ZINC000595820003 348361296 /nfs/dbraw/zinc/36/12/96/348361296.db2.gz HPMRLAIRPNIMSJ-NSHDSACASA-N 1 2 235.331 2.404 20 30 BEEDLO CCc1cc(CCC[N@H+](CC)[C@@H](C)C#N)on1 ZINC000595820003 348361298 /nfs/dbraw/zinc/36/12/98/348361298.db2.gz HPMRLAIRPNIMSJ-NSHDSACASA-N 1 2 235.331 2.404 20 30 BEEDLO CC[N@H+](CCC1CCOCC1)[C@H](C)C#N ZINC000595820571 348361731 /nfs/dbraw/zinc/36/17/31/348361731.db2.gz MPPKTYOPUSSNOO-LLVKDONJSA-N 1 2 210.321 2.037 20 30 BEEDLO CC[N@@H+](CCC1CCOCC1)[C@H](C)C#N ZINC000595820571 348361735 /nfs/dbraw/zinc/36/17/35/348361735.db2.gz MPPKTYOPUSSNOO-LLVKDONJSA-N 1 2 210.321 2.037 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000595833222 348366147 /nfs/dbraw/zinc/36/61/47/348366147.db2.gz BHLCMNHALKDHFU-CQSZACIVSA-N 1 2 225.295 2.294 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000595833222 348366150 /nfs/dbraw/zinc/36/61/50/348366150.db2.gz BHLCMNHALKDHFU-CQSZACIVSA-N 1 2 225.295 2.294 20 30 BEEDLO Cc1noc(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595833002 348366169 /nfs/dbraw/zinc/36/61/69/348366169.db2.gz DUVOCYYNAQURBO-GFCCVEGCSA-N 1 2 219.288 2.027 20 30 BEEDLO Cc1noc(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833002 348366170 /nfs/dbraw/zinc/36/61/70/348366170.db2.gz DUVOCYYNAQURBO-GFCCVEGCSA-N 1 2 219.288 2.027 20 30 BEEDLO Cc1noc(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595833004 348366262 /nfs/dbraw/zinc/36/62/62/348366262.db2.gz DUVOCYYNAQURBO-LBPRGKRZSA-N 1 2 219.288 2.027 20 30 BEEDLO Cc1noc(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833004 348366263 /nfs/dbraw/zinc/36/62/63/348366263.db2.gz DUVOCYYNAQURBO-LBPRGKRZSA-N 1 2 219.288 2.027 20 30 BEEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595919205 348401375 /nfs/dbraw/zinc/40/13/75/348401375.db2.gz UYBIDHBJGVZJFV-MWLCHTKSSA-N 1 2 232.274 2.035 20 30 BEEDLO C[C@H](CCC#N)[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595919205 348401379 /nfs/dbraw/zinc/40/13/79/348401379.db2.gz UYBIDHBJGVZJFV-MWLCHTKSSA-N 1 2 232.274 2.035 20 30 BEEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(CCCC)no1 ZINC000266899953 187398294 /nfs/dbraw/zinc/39/82/94/187398294.db2.gz GCZOFHSZCKVGKF-LLVKDONJSA-N 1 2 235.331 2.428 20 30 BEEDLO C#CC[N@H+](CC)[C@H](C)c1nc(CCCC)no1 ZINC000266899953 187398296 /nfs/dbraw/zinc/39/82/96/187398296.db2.gz GCZOFHSZCKVGKF-LLVKDONJSA-N 1 2 235.331 2.428 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc(-c2ccccc2)no1 ZINC000267374529 187398970 /nfs/dbraw/zinc/39/89/70/187398970.db2.gz YVPHZGRVLROLNP-UHFFFAOYSA-N 1 2 241.294 2.192 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc(-c2ccccc2)no1 ZINC000267374529 187398971 /nfs/dbraw/zinc/39/89/71/187398971.db2.gz YVPHZGRVLROLNP-UHFFFAOYSA-N 1 2 241.294 2.192 20 30 BEEDLO C=CCC(CC=C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000268128387 187398553 /nfs/dbraw/zinc/39/85/53/187398553.db2.gz DTFWFIKHOKJNDN-LBPRGKRZSA-N 1 2 247.342 2.156 20 30 BEEDLO N#CC[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000596330165 348509538 /nfs/dbraw/zinc/50/95/38/348509538.db2.gz JQXYKHLAOVCTDL-LLVKDONJSA-N 1 2 242.326 2.484 20 30 BEEDLO Cc1cc(NC[C@]2(C)CC2(F)F)c(C#N)c[nH+]1 ZINC000596478808 348556024 /nfs/dbraw/zinc/55/60/24/348556024.db2.gz SEYQPNLCUFNLRF-NSHDSACASA-N 1 2 237.253 2.141 20 30 BEEDLO Cc1[nH]c2ccc(NC(=O)[C@H](C)CC#N)cc2[nH+]1 ZINC000596693668 348608468 /nfs/dbraw/zinc/60/84/68/348608468.db2.gz APKDEUBNGIWZPU-MRVPVSSYSA-N 1 2 242.282 2.360 20 30 BEEDLO COc1ccc(C[NH+]2CC(CC#N)C2)cc1OC ZINC000597191774 348670858 /nfs/dbraw/zinc/67/08/58/348670858.db2.gz GYVPDCKMISVBOJ-UHFFFAOYSA-N 1 2 246.310 2.049 20 30 BEEDLO CCCn1nccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000597080902 348658076 /nfs/dbraw/zinc/65/80/76/348658076.db2.gz VWBOSJXPDFGWFO-CQSZACIVSA-N 1 2 246.358 2.419 20 30 BEEDLO CCCn1nccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000597080902 348658079 /nfs/dbraw/zinc/65/80/79/348658079.db2.gz VWBOSJXPDFGWFO-CQSZACIVSA-N 1 2 246.358 2.419 20 30 BEEDLO N#CCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC000597193254 348671397 /nfs/dbraw/zinc/67/13/97/348671397.db2.gz PABXPPZJNBDSHR-UHFFFAOYSA-N 1 2 222.238 2.310 20 30 BEEDLO N#CCC1C[NH+](Cc2ccc(Cl)o2)C1 ZINC000597193887 348671578 /nfs/dbraw/zinc/67/15/78/348671578.db2.gz KVPCDQJAWZJEGO-UHFFFAOYSA-N 1 2 210.664 2.278 20 30 BEEDLO COc1cc(F)cc(C[NH+]2CC(CC#N)C2)c1 ZINC000597202885 348676672 /nfs/dbraw/zinc/67/66/72/348676672.db2.gz DLKVDTRZCGWVKQ-UHFFFAOYSA-N 1 2 234.274 2.180 20 30 BEEDLO N#CCC1C[NH+](Cc2scnc2C2CC2)C1 ZINC000597204495 348678389 /nfs/dbraw/zinc/67/83/89/348678389.db2.gz XTQVQSPLKPRPOR-UHFFFAOYSA-N 1 2 233.340 2.366 20 30 BEEDLO CCCn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597230091 348697389 /nfs/dbraw/zinc/69/73/89/348697389.db2.gz PGOHPQPSAUTVHR-ZDUSSCGKSA-N 1 2 232.331 2.029 20 30 BEEDLO CCCn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cn1 ZINC000597230091 348697394 /nfs/dbraw/zinc/69/73/94/348697394.db2.gz PGOHPQPSAUTVHR-ZDUSSCGKSA-N 1 2 232.331 2.029 20 30 BEEDLO Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)o1 ZINC000597229603 348697738 /nfs/dbraw/zinc/69/77/38/348697738.db2.gz NCOZUAPQJRKYGF-GFCCVEGCSA-N 1 2 204.273 2.324 20 30 BEEDLO Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)o1 ZINC000597229603 348697740 /nfs/dbraw/zinc/69/77/40/348697740.db2.gz NCOZUAPQJRKYGF-GFCCVEGCSA-N 1 2 204.273 2.324 20 30 BEEDLO CCn1nc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1C ZINC000597230189 348697793 /nfs/dbraw/zinc/69/77/93/348697793.db2.gz QOAXCFAERSQLDB-AWEZNQCLSA-N 1 2 246.358 2.255 20 30 BEEDLO CCn1nc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1C ZINC000597230189 348697794 /nfs/dbraw/zinc/69/77/94/348697794.db2.gz QOAXCFAERSQLDB-AWEZNQCLSA-N 1 2 246.358 2.255 20 30 BEEDLO CCCn1nccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597232665 348699259 /nfs/dbraw/zinc/69/92/59/348699259.db2.gz VBBOYONAYMFATA-CYBMUJFWSA-N 1 2 232.331 2.029 20 30 BEEDLO CCCn1nccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597232665 348699260 /nfs/dbraw/zinc/69/92/60/348699260.db2.gz VBBOYONAYMFATA-CYBMUJFWSA-N 1 2 232.331 2.029 20 30 BEEDLO COc1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597231593 348699962 /nfs/dbraw/zinc/69/99/62/348699962.db2.gz ZLUOZSMKMQNUTD-CQSZACIVSA-N 1 2 230.311 2.431 20 30 BEEDLO COc1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597231593 348699964 /nfs/dbraw/zinc/69/99/64/348699964.db2.gz ZLUOZSMKMQNUTD-CQSZACIVSA-N 1 2 230.311 2.431 20 30 BEEDLO Cc1cn2ccc(NC(=O)CCCC#N)cc2[nH+]1 ZINC000598469327 348979995 /nfs/dbraw/zinc/97/99/95/348979995.db2.gz QDIITTNUAQFBBQ-UHFFFAOYSA-N 1 2 242.282 2.275 20 30 BEEDLO CC(C)(C#N)C[C@@H](O)C[N@H+](CC(F)F)C1CC1 ZINC000598588781 348996491 /nfs/dbraw/zinc/99/64/91/348996491.db2.gz NZDAIAGJRWPVMK-SNVBAGLBSA-N 1 2 246.301 2.017 20 30 BEEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+](CC(F)F)C1CC1 ZINC000598588781 348996496 /nfs/dbraw/zinc/99/64/96/348996496.db2.gz NZDAIAGJRWPVMK-SNVBAGLBSA-N 1 2 246.301 2.017 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cncc(Cl)c1 ZINC000598591272 348997229 /nfs/dbraw/zinc/99/72/29/348997229.db2.gz XZGVAJMOLBDIML-SECBINFHSA-N 1 2 223.707 2.326 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cncc(Cl)c1 ZINC000598591272 348997232 /nfs/dbraw/zinc/99/72/32/348997232.db2.gz XZGVAJMOLBDIML-SECBINFHSA-N 1 2 223.707 2.326 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cncc(Cl)c1 ZINC000598593348 348998406 /nfs/dbraw/zinc/99/84/06/348998406.db2.gz RHDLUUDYIHQUIO-SECBINFHSA-N 1 2 223.707 2.469 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cncc(Cl)c1 ZINC000598593348 348998408 /nfs/dbraw/zinc/99/84/08/348998408.db2.gz RHDLUUDYIHQUIO-SECBINFHSA-N 1 2 223.707 2.469 20 30 BEEDLO CCOc1cncc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000598674351 349019500 /nfs/dbraw/zinc/01/95/00/349019500.db2.gz RCPSXEGGJSBCIP-LBPRGKRZSA-N 1 2 233.315 2.262 20 30 BEEDLO CCOc1cncc(C[N@H+](CC)C[C@@H](C)C#N)c1 ZINC000598679610 349021910 /nfs/dbraw/zinc/02/19/10/349021910.db2.gz WMKYAEUOUDICEX-LBPRGKRZSA-N 1 2 247.342 2.462 20 30 BEEDLO CCOc1cncc(C[N@@H+](CC)C[C@@H](C)C#N)c1 ZINC000598679610 349021911 /nfs/dbraw/zinc/02/19/11/349021911.db2.gz WMKYAEUOUDICEX-LBPRGKRZSA-N 1 2 247.342 2.462 20 30 BEEDLO CC1(c2ccccc2)C[NH+](CCC#N)C1 ZINC000598705670 349023272 /nfs/dbraw/zinc/02/32/72/349023272.db2.gz LTRWRACLDZPVAN-UHFFFAOYSA-N 1 2 200.285 2.174 20 30 BEEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CC(C)(C)C#N ZINC000598738966 349035979 /nfs/dbraw/zinc/03/59/79/349035979.db2.gz RSCWBIKABYTTTA-SNVBAGLBSA-N 1 2 248.330 2.020 20 30 BEEDLO COc1ccc[nH+]c1N1CCC[C@@H](CC#N)C1 ZINC000599098114 349093161 /nfs/dbraw/zinc/09/31/61/349093161.db2.gz CGLCIGCIIGBWTA-NSHDSACASA-N 1 2 231.299 2.220 20 30 BEEDLO Cc1c[nH]c(CN(CCC#N)Cc2ccco2)[nH+]1 ZINC000600105575 349292685 /nfs/dbraw/zinc/29/26/85/349292685.db2.gz APTZRHKIGVZSMC-UHFFFAOYSA-N 1 2 244.298 2.227 20 30 BEEDLO Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)o1 ZINC000601941082 349392685 /nfs/dbraw/zinc/39/26/85/349392685.db2.gz OTHLYEKPQMDNHN-LLVKDONJSA-N 1 2 217.272 2.121 20 30 BEEDLO Cc1cnc(C[NH2+]CC(C)(C)C#N)s1 ZINC000394717068 350011533 /nfs/dbraw/zinc/01/15/33/350011533.db2.gz BLPDNCFDXQUHSR-UHFFFAOYSA-N 1 2 209.318 2.091 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1csc(C)n1 ZINC000041010918 191063021 /nfs/dbraw/zinc/06/30/21/191063021.db2.gz USQLYIWCZLKUQK-UHFFFAOYSA-N 1 2 202.710 2.294 20 30 BEEDLO C=CC(C)(C)C(=O)Nc1c[nH+]ccc1OC ZINC000294688748 490376359 /nfs/dbraw/zinc/37/63/59/490376359.db2.gz XGJSKXCXMQRFRP-UHFFFAOYSA-N 1 2 220.272 2.241 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+](C)Cc1ccccc1C ZINC000304195804 350238487 /nfs/dbraw/zinc/23/84/87/350238487.db2.gz AXSYTESICVMBPW-CYBMUJFWSA-N 1 2 233.311 2.154 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+](C)Cc1ccccc1C ZINC000304195804 350238490 /nfs/dbraw/zinc/23/84/90/350238490.db2.gz AXSYTESICVMBPW-CYBMUJFWSA-N 1 2 233.311 2.154 20 30 BEEDLO C=CC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000117942486 350304180 /nfs/dbraw/zinc/30/41/80/350304180.db2.gz PAEJZEXXELJQTF-DGCLKSJQSA-N 1 2 233.311 2.455 20 30 BEEDLO C=CC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000117942482 350304437 /nfs/dbraw/zinc/30/44/37/350304437.db2.gz PAEJZEXXELJQTF-YPMHNXCESA-N 1 2 233.311 2.455 20 30 BEEDLO C=CC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000117942479 350304476 /nfs/dbraw/zinc/30/44/76/350304476.db2.gz PAEJZEXXELJQTF-AAEUAGOBSA-N 1 2 233.311 2.455 20 30 BEEDLO C=CC1CC[NH+](Cc2nnc(C(C)C)[nH]2)CC1 ZINC000428213806 191098547 /nfs/dbraw/zinc/09/85/47/191098547.db2.gz WMJONWMUKQFWGS-UHFFFAOYSA-N 1 2 234.347 2.326 20 30 BEEDLO COc1ccc(F)cc1C[NH2+]C[C@H](C)C#N ZINC000309264222 323337602 /nfs/dbraw/zinc/33/76/02/323337602.db2.gz PUXIBEBPOVHCIQ-SECBINFHSA-N 1 2 222.263 2.084 20 30 BEEDLO N#CCC[N@@H+](Cc1ccco1)C[C@@H]1CCCOC1 ZINC000336709550 350461491 /nfs/dbraw/zinc/46/14/91/350461491.db2.gz LZOCCJKWBCIRTL-ZDUSSCGKSA-N 1 2 248.326 2.422 20 30 BEEDLO N#CCC[N@H+](Cc1ccco1)C[C@@H]1CCCOC1 ZINC000336709550 350461496 /nfs/dbraw/zinc/46/14/96/350461496.db2.gz LZOCCJKWBCIRTL-ZDUSSCGKSA-N 1 2 248.326 2.422 20 30 BEEDLO C[C@H](O)CCC[N@H+](CCC#N)Cc1ccco1 ZINC000336726384 350483456 /nfs/dbraw/zinc/48/34/56/350483456.db2.gz VLYYKJULTJCOFG-LBPRGKRZSA-N 1 2 236.315 2.156 20 30 BEEDLO C[C@H](O)CCC[N@@H+](CCC#N)Cc1ccco1 ZINC000336726384 350483459 /nfs/dbraw/zinc/48/34/59/350483459.db2.gz VLYYKJULTJCOFG-LBPRGKRZSA-N 1 2 236.315 2.156 20 30 BEEDLO C=CC[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000309400751 323372430 /nfs/dbraw/zinc/37/24/30/323372430.db2.gz WFYYXFDYQOZKJK-UHFFFAOYSA-N 1 2 225.332 2.417 20 30 BEEDLO C=CCCCSc1nc(N)cc(C)[nH+]1 ZINC000096686969 350682280 /nfs/dbraw/zinc/68/22/80/350682280.db2.gz YZABHEGWFJTZEI-UHFFFAOYSA-N 1 2 209.318 2.426 20 30 BEEDLO C=C1CC(C)(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000631275993 362986133 /nfs/dbraw/zinc/98/61/33/362986133.db2.gz KJZOEIMCSOPDCV-UHFFFAOYSA-N 1 2 247.342 2.136 20 30 BEEDLO Cc1ccc2[nH+]cc(CN(C)C[C@@H](C)C#N)n2c1 ZINC000271110224 351400953 /nfs/dbraw/zinc/40/09/53/351400953.db2.gz AXJXQKRIXMSPGS-LBPRGKRZSA-N 1 2 242.326 2.234 20 30 BEEDLO C[C@H]1C[C@H](/[NH+]=C/c2ccccc2O)CCO1 ZINC000271206811 351409066 /nfs/dbraw/zinc/40/90/66/351409066.db2.gz KNDNTSDBDJBXDW-SVWKEWQSSA-N 1 2 219.284 2.379 20 30 BEEDLO C[C@H]1COc2ccccc2C[N@@H+]1CCC#N ZINC000272882062 351500052 /nfs/dbraw/zinc/50/00/52/351500052.db2.gz CLZTUFPYCUIZFT-NSHDSACASA-N 1 2 216.284 2.183 20 30 BEEDLO C[C@H]1COc2ccccc2C[N@H+]1CCC#N ZINC000272882062 351500058 /nfs/dbraw/zinc/50/00/58/351500058.db2.gz CLZTUFPYCUIZFT-NSHDSACASA-N 1 2 216.284 2.183 20 30 BEEDLO Cn1cccc1[C@@H]1CCC[N@@H+]1CCC#N ZINC000272912138 351501999 /nfs/dbraw/zinc/50/19/99/351501999.db2.gz FENZOZRTZHXOPQ-LBPRGKRZSA-N 1 2 203.289 2.076 20 30 BEEDLO Cn1cccc1[C@@H]1CCC[N@H+]1CCC#N ZINC000272912138 351502000 /nfs/dbraw/zinc/50/20/00/351502000.db2.gz FENZOZRTZHXOPQ-LBPRGKRZSA-N 1 2 203.289 2.076 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000276187352 351612629 /nfs/dbraw/zinc/61/26/29/351612629.db2.gz HSPLAXNXVGATQE-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO C[C@@H](CCC#N)[N@H+](C)Cc1nccn1C(F)F ZINC000276262880 351613484 /nfs/dbraw/zinc/61/34/84/351613484.db2.gz BMJKQMLPFVPNEF-VIFPVBQESA-N 1 2 242.273 2.402 20 30 BEEDLO C[C@@H](CCC#N)[N@@H+](C)Cc1nccn1C(F)F ZINC000276262880 351613486 /nfs/dbraw/zinc/61/34/86/351613486.db2.gz BMJKQMLPFVPNEF-VIFPVBQESA-N 1 2 242.273 2.402 20 30 BEEDLO C[C@H]1COCC[C@H]1/[NH+]=C/c1ccccc1O ZINC000277281180 351695795 /nfs/dbraw/zinc/69/57/95/351695795.db2.gz IVQVCXLWCLOCDJ-CRDGFYCKSA-N 1 2 219.284 2.236 20 30 BEEDLO CC[C@H]([NH2+]CC1(C#N)CC1)c1nccs1 ZINC000336733386 351759950 /nfs/dbraw/zinc/75/99/50/351759950.db2.gz MHGZIMPUQIZGOV-VIFPVBQESA-N 1 2 221.329 2.488 20 30 BEEDLO Cc1nc(F)ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000278509665 351768138 /nfs/dbraw/zinc/76/81/38/351768138.db2.gz WQQRSAIAROZONP-VIFPVBQESA-N 1 2 221.279 2.121 20 30 BEEDLO Cc1nc(F)ccc1C[N@H+](C)C[C@@H](C)C#N ZINC000278509665 351768139 /nfs/dbraw/zinc/76/81/39/351768139.db2.gz WQQRSAIAROZONP-VIFPVBQESA-N 1 2 221.279 2.121 20 30 BEEDLO Cc1nc(F)ccc1C[N@@H+](C)C[C@H](C)C#N ZINC000278509662 351768155 /nfs/dbraw/zinc/76/81/55/351768155.db2.gz WQQRSAIAROZONP-SECBINFHSA-N 1 2 221.279 2.121 20 30 BEEDLO Cc1nc(F)ccc1C[N@H+](C)C[C@H](C)C#N ZINC000278509662 351768157 /nfs/dbraw/zinc/76/81/57/351768157.db2.gz WQQRSAIAROZONP-SECBINFHSA-N 1 2 221.279 2.121 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc2ccccc2n1 ZINC000054183665 351832893 /nfs/dbraw/zinc/83/28/93/351832893.db2.gz ZTPZYBYNEBOFCX-NSHDSACASA-N 1 2 240.310 2.412 20 30 BEEDLO Cc1cc(C)cc(CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284497236 351999082 /nfs/dbraw/zinc/99/90/82/351999082.db2.gz SPLCMYSCVOXDAY-CYBMUJFWSA-N 1 2 248.326 2.271 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCc1csc(C)n1 ZINC000292345909 352316126 /nfs/dbraw/zinc/31/61/26/352316126.db2.gz XFOONEXXPOPVRT-UHFFFAOYSA-N 1 2 235.356 2.396 20 30 BEEDLO C=CC[N@H+](CCC#N)CCc1csc(C)n1 ZINC000292345909 352316127 /nfs/dbraw/zinc/31/61/27/352316127.db2.gz XFOONEXXPOPVRT-UHFFFAOYSA-N 1 2 235.356 2.396 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCOc1ccccc1 ZINC000292065309 352300336 /nfs/dbraw/zinc/30/03/36/352300336.db2.gz CHEIVIGIPBNQCR-UHFFFAOYSA-N 1 2 230.311 2.467 20 30 BEEDLO C=CC[N@H+](CCC#N)CCOc1ccccc1 ZINC000292065309 352300339 /nfs/dbraw/zinc/30/03/39/352300339.db2.gz CHEIVIGIPBNQCR-UHFFFAOYSA-N 1 2 230.311 2.467 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@H](O)c1ccccc1 ZINC000292294361 352313651 /nfs/dbraw/zinc/31/36/51/352313651.db2.gz UMGGRAZVLRVGMT-AWEZNQCLSA-N 1 2 230.311 2.122 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@H](O)c1ccccc1 ZINC000292294361 352313654 /nfs/dbraw/zinc/31/36/54/352313654.db2.gz UMGGRAZVLRVGMT-AWEZNQCLSA-N 1 2 230.311 2.122 20 30 BEEDLO Cc1nc(C(C)(C)[NH2+]CCC#N)sc1C ZINC000411381557 191181382 /nfs/dbraw/zinc/18/13/82/191181382.db2.gz FBXIXAUCTSQCQQ-UHFFFAOYSA-N 1 2 223.345 2.498 20 30 BEEDLO C[C@@H](C#N)C[N@H+](CCc1cncs1)C1CC1 ZINC000411398615 191182086 /nfs/dbraw/zinc/18/20/86/191182086.db2.gz CTTJEOCSSMQVNA-JTQLQIEISA-N 1 2 235.356 2.310 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](CCc1cncs1)C1CC1 ZINC000411398615 191182089 /nfs/dbraw/zinc/18/20/89/191182089.db2.gz CTTJEOCSSMQVNA-JTQLQIEISA-N 1 2 235.356 2.310 20 30 BEEDLO Cn1cc(C[NH2+]CC2(C#N)CC2)c(C(C)(C)C)n1 ZINC000619534969 352414517 /nfs/dbraw/zinc/41/45/17/352414517.db2.gz AFVLYOMZJLEANK-UHFFFAOYSA-N 1 2 246.358 2.111 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cncc(F)c1 ZINC000336746520 352739666 /nfs/dbraw/zinc/73/96/66/352739666.db2.gz RKMAQJGQMCFDEJ-SECBINFHSA-N 1 2 219.263 2.175 20 30 BEEDLO C#CC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC000274230595 188091438 /nfs/dbraw/zinc/09/14/38/188091438.db2.gz WNAQHKYYSQOLLV-UHFFFAOYSA-N 1 2 228.270 2.295 20 30 BEEDLO C#CC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC000274230595 188091440 /nfs/dbraw/zinc/09/14/40/188091440.db2.gz WNAQHKYYSQOLLV-UHFFFAOYSA-N 1 2 228.270 2.295 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000274635823 188092415 /nfs/dbraw/zinc/09/24/15/188092415.db2.gz SIUDCCOLMSKHME-QWHCGFSZSA-N 1 2 249.358 2.238 20 30 BEEDLO C=C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000275151183 188093402 /nfs/dbraw/zinc/09/34/02/188093402.db2.gz SFRZQAZZJOJENY-UHFFFAOYSA-N 1 2 206.264 2.373 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000276908225 188094124 /nfs/dbraw/zinc/09/41/24/188094124.db2.gz FJCVHBMIURWIHQ-UHFFFAOYSA-N 1 2 238.674 2.313 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000276908225 188094126 /nfs/dbraw/zinc/09/41/26/188094126.db2.gz FJCVHBMIURWIHQ-UHFFFAOYSA-N 1 2 238.674 2.313 20 30 BEEDLO C=C1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000264429074 188087404 /nfs/dbraw/zinc/08/74/04/188087404.db2.gz BYPPHONIRIFGQH-ZDUSSCGKSA-N 1 2 248.301 2.004 20 30 BEEDLO C=CCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263844088 188087703 /nfs/dbraw/zinc/08/77/03/188087703.db2.gz TVWNTVOZUONVNT-UHFFFAOYSA-N 1 2 233.315 2.082 20 30 BEEDLO C=CCCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000267053334 188088246 /nfs/dbraw/zinc/08/82/46/188088246.db2.gz FQVNQNZHZNGEME-UHFFFAOYSA-N 1 2 243.310 2.307 20 30 BEEDLO C=CC[N@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000126151523 353218455 /nfs/dbraw/zinc/21/84/55/353218455.db2.gz MLSCXGSWGQSNED-LBPRGKRZSA-N 1 2 221.300 2.401 20 30 BEEDLO C=CC[N@@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000126151523 353218458 /nfs/dbraw/zinc/21/84/58/353218458.db2.gz MLSCXGSWGQSNED-LBPRGKRZSA-N 1 2 221.300 2.401 20 30 BEEDLO N#CCC[NH2+]Cc1ccccc1Br ZINC000020200009 188174736 /nfs/dbraw/zinc/17/47/36/188174736.db2.gz MGXUILMYULOUAY-UHFFFAOYSA-N 1 2 239.116 2.452 20 30 BEEDLO CC(C)n1ccnc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331303854 353243066 /nfs/dbraw/zinc/24/30/66/353243066.db2.gz ANAYPAHYEJSTED-NEPJUHHUSA-N 1 2 232.331 2.246 20 30 BEEDLO CC(C)n1cc[nH+]c1CN[C@H]1CCC[C@@H]1C#N ZINC000331303854 353243067 /nfs/dbraw/zinc/24/30/67/353243067.db2.gz ANAYPAHYEJSTED-NEPJUHHUSA-N 1 2 232.331 2.246 20 30 BEEDLO Cc1cncc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000189922961 353336974 /nfs/dbraw/zinc/33/69/74/353336974.db2.gz AOXUZPFCCMOXNT-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO Cc1cncc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000189922961 353336976 /nfs/dbraw/zinc/33/69/76/353336976.db2.gz AOXUZPFCCMOXNT-NSHDSACASA-N 1 2 203.289 2.124 20 30 BEEDLO C#CC[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000075785106 353323808 /nfs/dbraw/zinc/32/38/08/353323808.db2.gz YEGNYYIPECPPQE-HIFRSBDPSA-N 1 2 229.323 2.390 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000075785106 353323812 /nfs/dbraw/zinc/32/38/12/353323812.db2.gz YEGNYYIPECPPQE-HIFRSBDPSA-N 1 2 229.323 2.390 20 30 BEEDLO C=CC[N@@H+](Cc1cnc(OC)s1)C1CC1 ZINC000639064172 353374813 /nfs/dbraw/zinc/37/48/13/353374813.db2.gz YHTCYNDKQCAEEZ-UHFFFAOYSA-N 1 2 224.329 2.302 20 30 BEEDLO C=CC[N@H+](Cc1cnc(OC)s1)C1CC1 ZINC000639064172 353374815 /nfs/dbraw/zinc/37/48/15/353374815.db2.gz YHTCYNDKQCAEEZ-UHFFFAOYSA-N 1 2 224.329 2.302 20 30 BEEDLO C=CCC[C@H]([NH2+]CC(=O)OC)c1ccccc1 ZINC000180048516 353384580 /nfs/dbraw/zinc/38/45/80/353384580.db2.gz ICVAOOAKHUECNY-ZDUSSCGKSA-N 1 2 233.311 2.457 20 30 BEEDLO CC[N@@H+](Cc1c(C)noc1C)C[C@H](C)C#N ZINC000060569246 353481209 /nfs/dbraw/zinc/48/12/09/353481209.db2.gz VKMOTJDHVWWPHC-SECBINFHSA-N 1 2 221.304 2.273 20 30 BEEDLO CC[N@H+](Cc1c(C)noc1C)C[C@H](C)C#N ZINC000060569246 353481212 /nfs/dbraw/zinc/48/12/12/353481212.db2.gz VKMOTJDHVWWPHC-SECBINFHSA-N 1 2 221.304 2.273 20 30 BEEDLO C=CC[N@@H+](CCOC)[C@H](c1nccn1C)C1CC1 ZINC000639100532 353517542 /nfs/dbraw/zinc/51/75/42/353517542.db2.gz ONJOAIHBNAVZIM-ZDUSSCGKSA-N 1 2 249.358 2.006 20 30 BEEDLO C=CC[N@H+](CCOC)[C@H](c1nccn1C)C1CC1 ZINC000639100532 353517546 /nfs/dbraw/zinc/51/75/46/353517546.db2.gz ONJOAIHBNAVZIM-ZDUSSCGKSA-N 1 2 249.358 2.006 20 30 BEEDLO C=CCCCCC[N@@H+](C)Cc1ncnn1CC ZINC000193355583 353584452 /nfs/dbraw/zinc/58/44/52/353584452.db2.gz NCEDLDSXJFZGBA-UHFFFAOYSA-N 1 2 236.363 2.476 20 30 BEEDLO C=CCCCCC[N@H+](C)Cc1ncnn1CC ZINC000193355583 353584454 /nfs/dbraw/zinc/58/44/54/353584454.db2.gz NCEDLDSXJFZGBA-UHFFFAOYSA-N 1 2 236.363 2.476 20 30 BEEDLO C=CCC[C@@H]([NH2+]Cc1nncn1C)c1ccco1 ZINC000285786683 353551025 /nfs/dbraw/zinc/55/10/25/353551025.db2.gz UKQFJSWNUJDSQI-LLVKDONJSA-N 1 2 246.314 2.205 20 30 BEEDLO C=C(C)CN(CC)c1cc(N2CCCC2)[nH+]cn1 ZINC000286300941 353561155 /nfs/dbraw/zinc/56/11/55/353561155.db2.gz YJAONKGHZGBTCA-UHFFFAOYSA-N 1 2 246.358 2.479 20 30 BEEDLO C=C(C)CN(CC)c1cc(N2CCCC2)nc[nH+]1 ZINC000286300941 353561157 /nfs/dbraw/zinc/56/11/57/353561157.db2.gz YJAONKGHZGBTCA-UHFFFAOYSA-N 1 2 246.358 2.479 20 30 BEEDLO C=CC[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184585982 353684603 /nfs/dbraw/zinc/68/46/03/353684603.db2.gz XBADFKGVIKJEGG-NSHDSACASA-N 1 2 237.372 2.008 20 30 BEEDLO C=CC[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000294591164 353785311 /nfs/dbraw/zinc/78/53/11/353785311.db2.gz HJUCRTMUHHDBND-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO C=CC[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000294591164 353785314 /nfs/dbraw/zinc/78/53/14/353785314.db2.gz HJUCRTMUHHDBND-UHFFFAOYSA-N 1 2 213.227 2.288 20 30 BEEDLO C=CCC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000293868216 353762543 /nfs/dbraw/zinc/76/25/43/353762543.db2.gz WLLIEHSECLEUPS-AATRIKPKSA-N 1 2 233.315 2.141 20 30 BEEDLO CC#CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000293953266 353764702 /nfs/dbraw/zinc/76/47/02/353764702.db2.gz GQVUMQJTWZQIHF-UHFFFAOYSA-N 1 2 215.300 2.122 20 30 BEEDLO C=C(C)CN(CC)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366822661 353777536 /nfs/dbraw/zinc/77/75/36/353777536.db2.gz JEYVFUHBYIQDJY-NSHDSACASA-N 1 2 247.342 2.254 20 30 BEEDLO Fc1ccc(C#CC[N@H+](C2CC2)C2COC2)cc1 ZINC000295361799 353804556 /nfs/dbraw/zinc/80/45/56/353804556.db2.gz JGMFUMFZTYVGHO-UHFFFAOYSA-N 1 2 245.297 2.040 20 30 BEEDLO Fc1ccc(C#CC[N@@H+](C2CC2)C2COC2)cc1 ZINC000295361799 353804560 /nfs/dbraw/zinc/80/45/60/353804560.db2.gz JGMFUMFZTYVGHO-UHFFFAOYSA-N 1 2 245.297 2.040 20 30 BEEDLO CC(C)[N@H+](CC#Cc1ccc(F)cc1)C1COC1 ZINC000295292872 353806907 /nfs/dbraw/zinc/80/69/07/353806907.db2.gz DVACLPXSCYXYIF-UHFFFAOYSA-N 1 2 247.313 2.286 20 30 BEEDLO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)C1COC1 ZINC000295292872 353806911 /nfs/dbraw/zinc/80/69/11/353806911.db2.gz DVACLPXSCYXYIF-UHFFFAOYSA-N 1 2 247.313 2.286 20 30 BEEDLO C#CC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000066853195 353817983 /nfs/dbraw/zinc/81/79/83/353817983.db2.gz JMCQWDPUVKAQDS-GXTWGEPZSA-N 1 2 215.296 2.082 20 30 BEEDLO C#CC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000066853195 353817986 /nfs/dbraw/zinc/81/79/86/353817986.db2.gz JMCQWDPUVKAQDS-GXTWGEPZSA-N 1 2 215.296 2.082 20 30 BEEDLO CC[N@H+](Cc1ccncc1)CC1(C#N)CC1 ZINC000343567687 353936561 /nfs/dbraw/zinc/93/65/61/353936561.db2.gz WLRTXEDBJVUQSQ-UHFFFAOYSA-N 1 2 215.300 2.207 20 30 BEEDLO CC[N@@H+](Cc1ccncc1)CC1(C#N)CC1 ZINC000343567687 353936566 /nfs/dbraw/zinc/93/65/66/353936566.db2.gz WLRTXEDBJVUQSQ-UHFFFAOYSA-N 1 2 215.300 2.207 20 30 BEEDLO C[C@@H](c1cccnc1)[N@H+](C)CC1(C#N)CC1 ZINC000343648794 353953289 /nfs/dbraw/zinc/95/32/89/353953289.db2.gz YBQLHTXNPIFITA-NSHDSACASA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1cccnc1)[N@@H+](C)CC1(C#N)CC1 ZINC000343648794 353953291 /nfs/dbraw/zinc/95/32/91/353953291.db2.gz YBQLHTXNPIFITA-NSHDSACASA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1ccccn1)[N@H+](C)CC1(C#N)CC1 ZINC000343649950 353953368 /nfs/dbraw/zinc/95/33/68/353953368.db2.gz ZGOUKFJHEHNDAY-NSHDSACASA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1ccccn1)[N@@H+](C)CC1(C#N)CC1 ZINC000343649950 353953370 /nfs/dbraw/zinc/95/33/70/353953370.db2.gz ZGOUKFJHEHNDAY-NSHDSACASA-N 1 2 215.300 2.378 20 30 BEEDLO CCOC(=O)CCCCC[N@H+](CC#N)C1CC1 ZINC000344604591 354324234 /nfs/dbraw/zinc/32/42/34/354324234.db2.gz STWAQXVWAOOJQY-UHFFFAOYSA-N 1 2 238.331 2.098 20 30 BEEDLO CCOC(=O)CCCCC[N@@H+](CC#N)C1CC1 ZINC000344604591 354324235 /nfs/dbraw/zinc/32/42/35/354324235.db2.gz STWAQXVWAOOJQY-UHFFFAOYSA-N 1 2 238.331 2.098 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)o1 ZINC000093588990 181104210 /nfs/dbraw/zinc/10/42/10/181104210.db2.gz WOYJGWDTPWMCSC-UHFFFAOYSA-N 1 2 246.310 2.296 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCCC3)C2)o1 ZINC000093588990 181104212 /nfs/dbraw/zinc/10/42/12/181104212.db2.gz WOYJGWDTPWMCSC-UHFFFAOYSA-N 1 2 246.310 2.296 20 30 BEEDLO N#Cc1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000309602458 181106479 /nfs/dbraw/zinc/10/64/79/181106479.db2.gz WYOVRZQHEGBLDT-UHFFFAOYSA-N 1 2 222.238 2.446 20 30 BEEDLO N#Cc1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000364032935 181115745 /nfs/dbraw/zinc/11/57/45/181115745.db2.gz KAWQWZJGESJIOO-NSHDSACASA-N 1 2 239.282 2.018 20 30 BEEDLO N#CC1(C[N@@H+]2CCOCC23CCCCC3)CC1 ZINC000334686219 354432382 /nfs/dbraw/zinc/43/23/82/354432382.db2.gz FKZIGZXZEQRUGR-UHFFFAOYSA-N 1 2 234.343 2.325 20 30 BEEDLO N#CC1(C[N@H+]2CCOCC23CCCCC3)CC1 ZINC000334686219 354432385 /nfs/dbraw/zinc/43/23/85/354432385.db2.gz FKZIGZXZEQRUGR-UHFFFAOYSA-N 1 2 234.343 2.325 20 30 BEEDLO Cc1cc(C)c(NC(=O)NC[C@H](C)C#N)c(C)[nH+]1 ZINC000334714594 354512555 /nfs/dbraw/zinc/51/25/55/354512555.db2.gz YFZWFSYAKORROD-MRVPVSSYSA-N 1 2 246.314 2.288 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090007751 181145554 /nfs/dbraw/zinc/14/55/54/181145554.db2.gz JIHNFYRVJVJBBS-OAHLLOKOSA-N 1 2 242.322 2.169 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090007751 181145559 /nfs/dbraw/zinc/14/55/59/181145559.db2.gz JIHNFYRVJVJBBS-OAHLLOKOSA-N 1 2 242.322 2.169 20 30 BEEDLO N#Cc1ccccc1OCC[N@H+]1CCC=C(F)C1 ZINC000271643826 181149332 /nfs/dbraw/zinc/14/93/32/181149332.db2.gz QGPIDLZVSANIFC-UHFFFAOYSA-N 1 2 246.285 2.496 20 30 BEEDLO N#Cc1ccccc1OCC[N@@H+]1CCC=C(F)C1 ZINC000271643826 181149334 /nfs/dbraw/zinc/14/93/34/181149334.db2.gz QGPIDLZVSANIFC-UHFFFAOYSA-N 1 2 246.285 2.496 20 30 BEEDLO N#Cc1cccnc1NCc1cn2ccccc2[nH+]1 ZINC000025673934 181153379 /nfs/dbraw/zinc/15/33/79/181153379.db2.gz XOAOVCBJSRSLEF-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO N#CCC[N@@H+](Cc1ccc(F)cn1)CC1CC1 ZINC000346435508 354934837 /nfs/dbraw/zinc/93/48/37/354934837.db2.gz MSJUUYGMZAPXFO-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO N#CCC[N@H+](Cc1ccc(F)cn1)CC1CC1 ZINC000346435508 354934840 /nfs/dbraw/zinc/93/48/40/354934840.db2.gz MSJUUYGMZAPXFO-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO N#Cc1ccncc1NCc1ccn2cc[nH+]c2c1 ZINC000357445644 181160766 /nfs/dbraw/zinc/16/07/66/181160766.db2.gz ZWOLEZUNYJBEGK-UHFFFAOYSA-N 1 2 249.277 2.213 20 30 BEEDLO CC[N@@H+](CC#N)CCCC1CCOCC1 ZINC000346821325 355125069 /nfs/dbraw/zinc/12/50/69/355125069.db2.gz GDVNGWFJTLLKHM-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO CC[N@H+](CC#N)CCCC1CCOCC1 ZINC000346821325 355125072 /nfs/dbraw/zinc/12/50/72/355125072.db2.gz GDVNGWFJTLLKHM-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO N#CCCSCc1cn2ccccc2[nH+]1 ZINC000413011361 191339682 /nfs/dbraw/zinc/33/96/82/191339682.db2.gz JCHPCMBHBFIYPY-UHFFFAOYSA-N 1 2 217.297 2.481 20 30 BEEDLO C=C(C)CN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413241779 191363403 /nfs/dbraw/zinc/36/34/03/191363403.db2.gz TWLQYAYJIGSOJG-UHFFFAOYSA-N 1 2 218.304 2.063 20 30 BEEDLO C=C(C)CN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413241779 191363406 /nfs/dbraw/zinc/36/34/06/191363406.db2.gz TWLQYAYJIGSOJG-UHFFFAOYSA-N 1 2 218.304 2.063 20 30 BEEDLO CC#CCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000349725796 355420152 /nfs/dbraw/zinc/42/01/52/355420152.db2.gz XPHPVONLGAFJER-UHFFFAOYSA-N 1 2 231.299 2.233 20 30 BEEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn(C(F)F)n1 ZINC000350393201 355695269 /nfs/dbraw/zinc/69/52/69/355695269.db2.gz PKVGQZNOOCPILD-WPRPVWTQSA-N 1 2 240.257 2.060 20 30 BEEDLO CCc1nocc1C[N@H+](CCC#N)CC1CC1 ZINC000351402037 355984314 /nfs/dbraw/zinc/98/43/14/355984314.db2.gz WEZRLWFLKWOTSY-UHFFFAOYSA-N 1 2 233.315 2.363 20 30 BEEDLO CCc1nocc1C[N@@H+](CCC#N)CC1CC1 ZINC000351402037 355984317 /nfs/dbraw/zinc/98/43/17/355984317.db2.gz WEZRLWFLKWOTSY-UHFFFAOYSA-N 1 2 233.315 2.363 20 30 BEEDLO C=C(C)CN(C)Cc1cc(OC)cc(C)[nH+]1 ZINC000351107276 355948986 /nfs/dbraw/zinc/94/89/86/355948986.db2.gz YQOPXZMTUDCJEE-UHFFFAOYSA-N 1 2 220.316 2.407 20 30 BEEDLO N#CC1(C[NH2+]Cc2cnc(C3CC3)nc2)CCC1 ZINC000418145003 191987884 /nfs/dbraw/zinc/98/78/84/191987884.db2.gz WJGMSPKTPXRCBY-UHFFFAOYSA-N 1 2 242.326 2.137 20 30 BEEDLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC12CCCC2 ZINC000329990839 356156287 /nfs/dbraw/zinc/15/62/87/356156287.db2.gz JJAAHKMHSXHDDM-JTQLQIEISA-N 1 2 233.315 2.489 20 30 BEEDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C#N)cc1 ZINC000049236094 356389626 /nfs/dbraw/zinc/38/96/26/356389626.db2.gz WSGZCMJHKQCEDW-LLVKDONJSA-N 1 2 226.283 2.255 20 30 BEEDLO C=CCN(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420849181 192263283 /nfs/dbraw/zinc/26/32/83/192263283.db2.gz NHNBYCZGFDBIKZ-UHFFFAOYSA-N 1 2 233.315 2.026 20 30 BEEDLO C=CC[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623289096 356497151 /nfs/dbraw/zinc/49/71/51/356497151.db2.gz MFQSVXVWTUTANT-SNVBAGLBSA-N 1 2 216.284 2.015 20 30 BEEDLO C=CC[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623289096 356497152 /nfs/dbraw/zinc/49/71/52/356497152.db2.gz MFQSVXVWTUTANT-SNVBAGLBSA-N 1 2 216.284 2.015 20 30 BEEDLO N#CC1(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CCC1 ZINC000336187396 134122031 /nfs/dbraw/zinc/12/20/31/134122031.db2.gz ZNUBPCVBENFZDN-QWHCGFSZSA-N 1 2 234.343 2.324 20 30 BEEDLO N#CC1(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)CCC1 ZINC000336187396 134122032 /nfs/dbraw/zinc/12/20/32/134122032.db2.gz ZNUBPCVBENFZDN-QWHCGFSZSA-N 1 2 234.343 2.324 20 30 BEEDLO Cc1cc(N2CCC3(CCO3)CC2)c(C#N)c[nH+]1 ZINC000578128334 366288762 /nfs/dbraw/zinc/28/87/62/366288762.db2.gz FKYXUMLRMRRHAY-UHFFFAOYSA-N 1 2 243.310 2.021 20 30 BEEDLO C=C(C)C[N@H+](CC(C)=O)Cc1cnn(C(C)C)c1 ZINC000639643250 356556510 /nfs/dbraw/zinc/55/65/10/356556510.db2.gz FEVROSBTTKVRRP-UHFFFAOYSA-N 1 2 249.358 2.431 20 30 BEEDLO C=C(C)C[N@@H+](CC(C)=O)Cc1cnn(C(C)C)c1 ZINC000639643250 356556514 /nfs/dbraw/zinc/55/65/14/356556514.db2.gz FEVROSBTTKVRRP-UHFFFAOYSA-N 1 2 249.358 2.431 20 30 BEEDLO CC1(C)CCC[N@H+](C[C@@H]2CCCOC2)[C@@H]1C#N ZINC000336427639 134146900 /nfs/dbraw/zinc/14/69/00/134146900.db2.gz ZJZBLXAGKUEACG-QWHCGFSZSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCC[N@@H+](C[C@@H]2CCCOC2)[C@@H]1C#N ZINC000336427639 134146901 /nfs/dbraw/zinc/14/69/01/134146901.db2.gz ZJZBLXAGKUEACG-QWHCGFSZSA-N 1 2 236.359 2.427 20 30 BEEDLO C=CC[NH+](CC=C)[C@@H](CCC)C(=O)OCC ZINC000167915935 134154824 /nfs/dbraw/zinc/15/48/24/134154824.db2.gz FLZHUEAVQFWFGR-LBPRGKRZSA-N 1 2 225.332 2.392 20 30 BEEDLO C=C(C)CN(C)c1nc(C)[nH+]c(C)c1C ZINC000302020765 134157096 /nfs/dbraw/zinc/15/70/96/134157096.db2.gz FCZFYCWHLLARGN-UHFFFAOYSA-N 1 2 205.305 2.414 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353175513 134162497 /nfs/dbraw/zinc/16/24/97/134162497.db2.gz SDLXXATWAJJINS-UWVGGRQHSA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353175513 134162498 /nfs/dbraw/zinc/16/24/98/134162498.db2.gz SDLXXATWAJJINS-UWVGGRQHSA-N 1 2 219.275 2.043 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1cccn1C)C1CC1 ZINC000354026603 134165859 /nfs/dbraw/zinc/16/58/59/134165859.db2.gz WNTXCMIFRDEQOA-NSHDSACASA-N 1 2 217.316 2.149 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1cccn1C)C1CC1 ZINC000354026603 134165860 /nfs/dbraw/zinc/16/58/60/134165860.db2.gz WNTXCMIFRDEQOA-NSHDSACASA-N 1 2 217.316 2.149 20 30 BEEDLO CCc1nocc1C[N@H+](C)CC(C)(C)C#N ZINC000354009317 134166141 /nfs/dbraw/zinc/16/61/41/134166141.db2.gz ISCJOOWADZQFKA-UHFFFAOYSA-N 1 2 221.304 2.219 20 30 BEEDLO CCc1nocc1C[N@@H+](C)CC(C)(C)C#N ZINC000354009317 134166142 /nfs/dbraw/zinc/16/61/42/134166142.db2.gz ISCJOOWADZQFKA-UHFFFAOYSA-N 1 2 221.304 2.219 20 30 BEEDLO C[N@H+](Cc1cncs1)CC(C)(C)C#N ZINC000354019529 134166186 /nfs/dbraw/zinc/16/61/86/134166186.db2.gz ZGRBBGJMGAKEON-UHFFFAOYSA-N 1 2 209.318 2.125 20 30 BEEDLO C[N@@H+](Cc1cncs1)CC(C)(C)C#N ZINC000354019529 134166187 /nfs/dbraw/zinc/16/61/87/134166187.db2.gz ZGRBBGJMGAKEON-UHFFFAOYSA-N 1 2 209.318 2.125 20 30 BEEDLO Cc1ccc(C[N@@H+](C)CC(C)(C)C#N)nc1 ZINC000354017128 134166363 /nfs/dbraw/zinc/16/63/63/134166363.db2.gz HHRDRSCNTQGIKT-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO Cc1ccc(C[N@H+](C)CC(C)(C)C#N)nc1 ZINC000354017128 134166364 /nfs/dbraw/zinc/16/63/64/134166364.db2.gz HHRDRSCNTQGIKT-UHFFFAOYSA-N 1 2 217.316 2.372 20 30 BEEDLO Cc1nnc([C@H](C)[NH2+]CC#Cc2ccccc2)o1 ZINC000578191624 366376193 /nfs/dbraw/zinc/37/61/93/366376193.db2.gz PHFUOUONEBDSFQ-NSHDSACASA-N 1 2 241.294 2.080 20 30 BEEDLO N#CC1(C[NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000390748921 357114667 /nfs/dbraw/zinc/11/46/67/357114667.db2.gz BTPHWGYMBDTYER-UHFFFAOYSA-N 1 2 233.340 2.414 20 30 BEEDLO C=CCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000583703336 357283485 /nfs/dbraw/zinc/28/34/85/357283485.db2.gz UQUBELWHCARJFV-LLVKDONJSA-N 1 2 235.331 2.061 20 30 BEEDLO C=CCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000583703336 357283490 /nfs/dbraw/zinc/28/34/90/357283490.db2.gz UQUBELWHCARJFV-LLVKDONJSA-N 1 2 235.331 2.061 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(n1)CCC2 ZINC000582651600 357363670 /nfs/dbraw/zinc/36/36/70/357363670.db2.gz LPLBBUJLIJHBNW-NSHDSACASA-N 1 2 229.327 2.304 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000582651600 357363673 /nfs/dbraw/zinc/36/36/73/357363673.db2.gz LPLBBUJLIJHBNW-NSHDSACASA-N 1 2 229.327 2.304 20 30 BEEDLO Cc1ccncc1C[N@@H+](C)CC1(C#N)CC1 ZINC000361434360 134205053 /nfs/dbraw/zinc/20/50/53/134205053.db2.gz MUODDLCQYJGSSF-UHFFFAOYSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ccncc1C[N@H+](C)CC1(C#N)CC1 ZINC000361434360 134205054 /nfs/dbraw/zinc/20/50/54/134205054.db2.gz MUODDLCQYJGSSF-UHFFFAOYSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1noc([C@@H](C)[NH2+]CC#Cc2ccccc2)n1 ZINC000361772815 134207564 /nfs/dbraw/zinc/20/75/64/134207564.db2.gz YWDOKSKWJBUCAT-LLVKDONJSA-N 1 2 241.294 2.080 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1nccn1C(C)C ZINC000189424136 357641046 /nfs/dbraw/zinc/64/10/46/357641046.db2.gz FWSFMXJJGDNABK-UHFFFAOYSA-N 1 2 237.347 2.098 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1nccn1C(C)C ZINC000189424136 357641050 /nfs/dbraw/zinc/64/10/50/357641050.db2.gz FWSFMXJJGDNABK-UHFFFAOYSA-N 1 2 237.347 2.098 20 30 BEEDLO C=CCN(CCOC)Cc1[nH+]ccn1C(C)C ZINC000189424136 357641055 /nfs/dbraw/zinc/64/10/55/357641055.db2.gz FWSFMXJJGDNABK-UHFFFAOYSA-N 1 2 237.347 2.098 20 30 BEEDLO CC(C)COCC[N@H+](CC#N)C1CCCC1 ZINC000232642825 357669788 /nfs/dbraw/zinc/66/97/88/357669788.db2.gz WMFIFRBYQBRTBY-UHFFFAOYSA-N 1 2 224.348 2.427 20 30 BEEDLO CC(C)COCC[N@@H+](CC#N)C1CCCC1 ZINC000232642825 357669790 /nfs/dbraw/zinc/66/97/90/357669790.db2.gz WMFIFRBYQBRTBY-UHFFFAOYSA-N 1 2 224.348 2.427 20 30 BEEDLO CC[N@@H+](Cc1cncc(F)c1)C[C@H](C)C#N ZINC000231892302 357638026 /nfs/dbraw/zinc/63/80/26/357638026.db2.gz RNMOBNLRMCACFX-SNVBAGLBSA-N 1 2 221.279 2.202 20 30 BEEDLO CC[N@H+](Cc1cncc(F)c1)C[C@H](C)C#N ZINC000231892302 357638029 /nfs/dbraw/zinc/63/80/29/357638029.db2.gz RNMOBNLRMCACFX-SNVBAGLBSA-N 1 2 221.279 2.202 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1ccccc1C#N ZINC000191760439 357794832 /nfs/dbraw/zinc/79/48/32/357794832.db2.gz LATMWHKXMRHSCQ-UHFFFAOYSA-N 1 2 230.311 2.193 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1ccccc1C#N ZINC000191760439 357794835 /nfs/dbraw/zinc/79/48/35/357794835.db2.gz LATMWHKXMRHSCQ-UHFFFAOYSA-N 1 2 230.311 2.193 20 30 BEEDLO CC[C@H]1COCC[N@@H+]1CC#Cc1ccccc1 ZINC000192028532 357813744 /nfs/dbraw/zinc/81/37/44/357813744.db2.gz BYCPSPWKSDAEEN-HNNXBMFYSA-N 1 2 229.323 2.149 20 30 BEEDLO CC[C@H]1COCC[N@H+]1CC#Cc1ccccc1 ZINC000192028532 357813748 /nfs/dbraw/zinc/81/37/48/357813748.db2.gz BYCPSPWKSDAEEN-HNNXBMFYSA-N 1 2 229.323 2.149 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(F)cn1 ZINC000583271859 357780399 /nfs/dbraw/zinc/78/03/99/357780399.db2.gz RFWSQORBPYCRNY-SNVBAGLBSA-N 1 2 207.252 2.003 20 30 BEEDLO C=C(C)CCNc1cc(N2CCCC2)nc[nH+]1 ZINC000450719850 202244286 /nfs/dbraw/zinc/24/42/86/202244286.db2.gz XCFQVSFWVVNFAO-UHFFFAOYSA-N 1 2 232.331 2.455 20 30 BEEDLO C=C(C)CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000450719850 202244291 /nfs/dbraw/zinc/24/42/91/202244291.db2.gz XCFQVSFWVVNFAO-UHFFFAOYSA-N 1 2 232.331 2.455 20 30 BEEDLO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2F)no1 ZINC000044724904 358392339 /nfs/dbraw/zinc/39/23/39/358392339.db2.gz UPAYFFMIGPPZDH-UHFFFAOYSA-N 1 2 245.257 2.284 20 30 BEEDLO CCc1cn(Cc2ccccc2C#N)c[nH+]1 ZINC001641418771 1172247188 /nfs/dbraw/zinc/24/71/88/1172247188.db2.gz NFCUYLGYDXLNCD-UHFFFAOYSA-N 1 2 211.268 2.365 20 30 BEEDLO C[N@H+](CCC#N)C[C@H]1CCC2(CCCC2)O1 ZINC000229315630 358402439 /nfs/dbraw/zinc/40/24/39/358402439.db2.gz WGOOWASDEVSDEL-GFCCVEGCSA-N 1 2 222.332 2.324 20 30 BEEDLO C[N@@H+](CCC#N)C[C@H]1CCC2(CCCC2)O1 ZINC000229315630 358402440 /nfs/dbraw/zinc/40/24/40/358402440.db2.gz WGOOWASDEVSDEL-GFCCVEGCSA-N 1 2 222.332 2.324 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+](CCC)CC(F)F ZINC000124861650 358528263 /nfs/dbraw/zinc/52/82/63/358528263.db2.gz BJIKGUSMNDXMOU-SNVBAGLBSA-N 1 2 221.291 2.291 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+](CCC)CC(F)F ZINC000124861650 358528266 /nfs/dbraw/zinc/52/82/66/358528266.db2.gz BJIKGUSMNDXMOU-SNVBAGLBSA-N 1 2 221.291 2.291 20 30 BEEDLO CCn1cc[nH+]c1CNc1cccc(C#N)c1 ZINC000051920876 358767340 /nfs/dbraw/zinc/76/73/40/358767340.db2.gz ALBUEZNWEZUADE-UHFFFAOYSA-N 1 2 226.283 2.387 20 30 BEEDLO C=CCCc1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000351443397 366528319 /nfs/dbraw/zinc/52/83/19/366528319.db2.gz FBECALOYOMNVHH-SNVBAGLBSA-N 1 2 232.287 2.188 20 30 BEEDLO C=C[C@H]([NH2+][C@H](C)[C@H](C)c1ccccc1)C(=O)OC ZINC000619701955 363632191 /nfs/dbraw/zinc/63/21/91/363632191.db2.gz ATHUSHCDLBDTKS-SCRDCRAPSA-N 1 2 247.338 2.496 20 30 BEEDLO CC[N@H+](Cc1ccoc1)CC1(C#N)CC1 ZINC000611429350 359368099 /nfs/dbraw/zinc/36/80/99/359368099.db2.gz CIDKULBORSSMSO-UHFFFAOYSA-N 1 2 204.273 2.405 20 30 BEEDLO CC[N@@H+](Cc1ccoc1)CC1(C#N)CC1 ZINC000611429350 359368103 /nfs/dbraw/zinc/36/81/03/359368103.db2.gz CIDKULBORSSMSO-UHFFFAOYSA-N 1 2 204.273 2.405 20 30 BEEDLO Cc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)on1 ZINC000612159907 359710192 /nfs/dbraw/zinc/71/01/92/359710192.db2.gz ZGRCVHSRYAMOCQ-GFCCVEGCSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)on1 ZINC000612159907 359710197 /nfs/dbraw/zinc/71/01/97/359710197.db2.gz ZGRCVHSRYAMOCQ-GFCCVEGCSA-N 1 2 219.288 2.109 20 30 BEEDLO COc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccn1 ZINC000612159502 359710294 /nfs/dbraw/zinc/71/02/94/359710294.db2.gz CFVLAAASLMCYPX-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccn1 ZINC000612159502 359710299 /nfs/dbraw/zinc/71/02/99/359710299.db2.gz CFVLAAASLMCYPX-AWEZNQCLSA-N 1 2 245.326 2.216 20 30 BEEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccccn2)C1 ZINC000612161311 359711569 /nfs/dbraw/zinc/71/15/69/359711569.db2.gz BYSQMBQSRDIXHX-ZDUSSCGKSA-N 1 2 215.300 2.207 20 30 BEEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccccn2)C1 ZINC000612161311 359711575 /nfs/dbraw/zinc/71/15/75/359711575.db2.gz BYSQMBQSRDIXHX-ZDUSSCGKSA-N 1 2 215.300 2.207 20 30 BEEDLO CCn1cc[nH+]c1[C@H](C)Nc1cccc(C#N)n1 ZINC000450827210 202277899 /nfs/dbraw/zinc/27/78/99/202277899.db2.gz HOTFJLFKTGMCFD-JTQLQIEISA-N 1 2 241.298 2.343 20 30 BEEDLO C[C@]1(F)CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000451114287 202351262 /nfs/dbraw/zinc/35/12/62/202351262.db2.gz CZJWHZIGVFZJDF-NEPJUHHUSA-N 1 2 223.295 2.254 20 30 BEEDLO C[C@]1(F)CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000451114287 202351265 /nfs/dbraw/zinc/35/12/65/202351265.db2.gz CZJWHZIGVFZJDF-NEPJUHHUSA-N 1 2 223.295 2.254 20 30 BEEDLO CCOc1cccc(C[NH2+]CC(C)(C)C#N)n1 ZINC000612585665 359897743 /nfs/dbraw/zinc/89/77/43/359897743.db2.gz OOXCZNQCJIBIHS-UHFFFAOYSA-N 1 2 233.315 2.120 20 30 BEEDLO N#CC[N@H+](CC[C@H]1CCCO1)C1CCCC1 ZINC000087248395 359904166 /nfs/dbraw/zinc/90/41/66/359904166.db2.gz NZSUXNRERIEQSO-CYBMUJFWSA-N 1 2 222.332 2.324 20 30 BEEDLO N#CC[N@@H+](CC[C@H]1CCCO1)C1CCCC1 ZINC000087248395 359904170 /nfs/dbraw/zinc/90/41/70/359904170.db2.gz NZSUXNRERIEQSO-CYBMUJFWSA-N 1 2 222.332 2.324 20 30 BEEDLO COc1cc(C)nc(C[NH2+]CC(C)(C)C#N)c1 ZINC000612584865 359897143 /nfs/dbraw/zinc/89/71/43/359897143.db2.gz FOAQAJYBJBJREX-UHFFFAOYSA-N 1 2 233.315 2.038 20 30 BEEDLO COc1cc(C)[nH+]c(CNCC(C)(C)C#N)c1 ZINC000612584865 359897146 /nfs/dbraw/zinc/89/71/46/359897146.db2.gz FOAQAJYBJBJREX-UHFFFAOYSA-N 1 2 233.315 2.038 20 30 BEEDLO Cn1c[nH+]cc1CNc1ccc(CC#N)cc1 ZINC000090165977 360060366 /nfs/dbraw/zinc/06/03/66/360060366.db2.gz STCFHRHBPZRSHG-UHFFFAOYSA-N 1 2 226.283 2.098 20 30 BEEDLO CC[N@@H+](Cc1ccc(C#N)o1)C[C@H](C)C#N ZINC000091983006 360141262 /nfs/dbraw/zinc/14/12/62/360141262.db2.gz UNZBTAFSFDTVOP-SNVBAGLBSA-N 1 2 217.272 2.133 20 30 BEEDLO CC[N@H+](Cc1ccc(C#N)o1)C[C@H](C)C#N ZINC000091983006 360141266 /nfs/dbraw/zinc/14/12/66/360141266.db2.gz UNZBTAFSFDTVOP-SNVBAGLBSA-N 1 2 217.272 2.133 20 30 BEEDLO CC(C)CCN(CCC#N)Cc1c[nH+]c[nH]1 ZINC000093100853 360218925 /nfs/dbraw/zinc/21/89/25/360218925.db2.gz UJCJKZIUCWGCTD-UHFFFAOYSA-N 1 2 220.320 2.171 20 30 BEEDLO CC(C)CCN(CCC#N)Cc1c[nH]c[nH+]1 ZINC000093100853 360218927 /nfs/dbraw/zinc/21/89/27/360218927.db2.gz UJCJKZIUCWGCTD-UHFFFAOYSA-N 1 2 220.320 2.171 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1nn(C)c2ccccc12 ZINC000613044438 360297461 /nfs/dbraw/zinc/29/74/61/360297461.db2.gz JZLYAPJBALBUGS-LLVKDONJSA-N 1 2 242.326 2.355 20 30 BEEDLO CC[N@@H+](Cc1cccc(O)c1)C[C@H](C)C#N ZINC000094680039 360314738 /nfs/dbraw/zinc/31/47/38/360314738.db2.gz HKZLBXQTNLHTTK-LLVKDONJSA-N 1 2 218.300 2.374 20 30 BEEDLO CC[N@H+](Cc1cccc(O)c1)C[C@H](C)C#N ZINC000094680039 360314739 /nfs/dbraw/zinc/31/47/39/360314739.db2.gz HKZLBXQTNLHTTK-LLVKDONJSA-N 1 2 218.300 2.374 20 30 BEEDLO COc1ccccc1OCC[N@H+](C)[C@H](C)CC#N ZINC000097079157 360360367 /nfs/dbraw/zinc/36/03/67/360360367.db2.gz GSOPWOPSVRKUSD-GFCCVEGCSA-N 1 2 248.326 2.308 20 30 BEEDLO COc1ccccc1OCC[N@@H+](C)[C@H](C)CC#N ZINC000097079157 360360374 /nfs/dbraw/zinc/36/03/74/360360374.db2.gz GSOPWOPSVRKUSD-GFCCVEGCSA-N 1 2 248.326 2.308 20 30 BEEDLO CC(C)n1cnnc1C[N@H+](C)CCC(C)(C)C#N ZINC000429286915 201093010 /nfs/dbraw/zinc/09/30/10/201093010.db2.gz KTVQAELRHCHTEX-UHFFFAOYSA-N 1 2 249.362 2.231 20 30 BEEDLO CC(C)n1cnnc1C[N@@H+](C)CCC(C)(C)C#N ZINC000429286915 201093012 /nfs/dbraw/zinc/09/30/12/201093012.db2.gz KTVQAELRHCHTEX-UHFFFAOYSA-N 1 2 249.362 2.231 20 30 BEEDLO C[C@@H](c1cnccn1)[N@H+](C)CC(C)(C)C#N ZINC000433315173 201179878 /nfs/dbraw/zinc/17/98/78/201179878.db2.gz DCCHBGGHGJOYDO-JTQLQIEISA-N 1 2 218.304 2.019 20 30 BEEDLO C[C@@H](c1cnccn1)[N@@H+](C)CC(C)(C)C#N ZINC000433315173 201179881 /nfs/dbraw/zinc/17/98/81/201179881.db2.gz DCCHBGGHGJOYDO-JTQLQIEISA-N 1 2 218.304 2.019 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000619718646 363917125 /nfs/dbraw/zinc/91/71/25/363917125.db2.gz SFPLBMOKSRSRDD-STQMWFEESA-N 1 2 231.295 2.161 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H]1c1ccccc1 ZINC000619718646 363917128 /nfs/dbraw/zinc/91/71/28/363917128.db2.gz SFPLBMOKSRSRDD-STQMWFEESA-N 1 2 231.295 2.161 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000619718710 363917634 /nfs/dbraw/zinc/91/76/34/363917634.db2.gz UVJMPFHEKFNNBT-MRVWCRGKSA-N 1 2 245.322 2.407 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000619718710 363917638 /nfs/dbraw/zinc/91/76/38/363917638.db2.gz UVJMPFHEKFNNBT-MRVWCRGKSA-N 1 2 245.322 2.407 20 30 BEEDLO C[C@@H]([NH2+]Cc1csnn1)c1ccc(C#N)cc1 ZINC000037508481 364096687 /nfs/dbraw/zinc/09/66/87/364096687.db2.gz JDPFOWFQLHWJCT-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO CC(C)[C@H]1C[N@@H+](C(C)(C)C#N)CCS1 ZINC000161325045 364688880 /nfs/dbraw/zinc/68/88/80/364688880.db2.gz WJPKWRDUWKUCPQ-SNVBAGLBSA-N 1 2 212.362 2.362 20 30 BEEDLO CC(C)[C@H]1C[N@H+](C(C)(C)C#N)CCS1 ZINC000161325045 364688884 /nfs/dbraw/zinc/68/88/84/364688884.db2.gz WJPKWRDUWKUCPQ-SNVBAGLBSA-N 1 2 212.362 2.362 20 30 BEEDLO C=CCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000573328097 364800758 /nfs/dbraw/zinc/80/07/58/364800758.db2.gz ACEXMBVTDCDMDB-GFCCVEGCSA-N 1 2 235.331 2.307 20 30 BEEDLO C=C(C)C(C)(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000573558620 364860130 /nfs/dbraw/zinc/86/01/30/364860130.db2.gz XHFLSKLJLFWXHY-UHFFFAOYSA-N 1 2 249.358 2.382 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573695352 364894789 /nfs/dbraw/zinc/89/47/89/364894789.db2.gz GGUHDIUJUNVYPC-DGCLKSJQSA-N 1 2 247.342 2.155 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573695352 364894796 /nfs/dbraw/zinc/89/47/96/364894796.db2.gz GGUHDIUJUNVYPC-DGCLKSJQSA-N 1 2 247.342 2.155 20 30 BEEDLO CO[C@H](C)[C@H](C)[NH2+][C@H](C#N)C1CCCCC1 ZINC000191711159 541423057 /nfs/dbraw/zinc/42/30/57/541423057.db2.gz DBHCKMIOKFJZKD-DMDPSCGWSA-N 1 2 224.348 2.472 20 30 BEEDLO CO[C@@H](C)[C@H](C)[NH2+][C@H](C#N)C1CCCCC1 ZINC000191711172 541423139 /nfs/dbraw/zinc/42/31/39/541423139.db2.gz DBHCKMIOKFJZKD-GMXVVIOVSA-N 1 2 224.348 2.472 20 30 BEEDLO COc1c2ccccc2oc1C[NH2+]CCC#N ZINC000574446288 365063344 /nfs/dbraw/zinc/06/33/44/365063344.db2.gz XDLNJLGVUNYYFL-UHFFFAOYSA-N 1 2 230.267 2.445 20 30 BEEDLO C[N@H+](CCC(F)(F)F)CC(C)(C)C#N ZINC000359733034 366907256 /nfs/dbraw/zinc/90/72/56/366907256.db2.gz WEIYPQBGLRVCNY-UHFFFAOYSA-N 1 2 208.227 2.420 20 30 BEEDLO C[N@@H+](CCC(F)(F)F)CC(C)(C)C#N ZINC000359733034 366907263 /nfs/dbraw/zinc/90/72/63/366907263.db2.gz WEIYPQBGLRVCNY-UHFFFAOYSA-N 1 2 208.227 2.420 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cc(F)c(F)cc1F ZINC000183817430 367048947 /nfs/dbraw/zinc/04/89/47/367048947.db2.gz MCZAXCFBPWTDGU-ZETCQYMHSA-N 1 2 228.217 2.353 20 30 BEEDLO Cn1c[nH+]c2cc(Nc3ccncc3C#N)ccc21 ZINC000580024849 367135587 /nfs/dbraw/zinc/13/55/87/367135587.db2.gz OHFRNUSXKFDIKB-UHFFFAOYSA-N 1 2 249.277 2.005 20 30 BEEDLO CC[C@@H](C#N)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000258885827 370858379 /nfs/dbraw/zinc/85/83/79/370858379.db2.gz YBYFQUOOUWVJNA-VIFPVBQESA-N 1 2 242.282 2.360 20 30 BEEDLO CC[C@H]([NH2+]CCC#N)c1c(C)noc1C ZINC000581066587 367251722 /nfs/dbraw/zinc/25/17/22/367251722.db2.gz DXLNLLKDCIZCFV-JTQLQIEISA-N 1 2 207.277 2.246 20 30 BEEDLO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C#N)C1CCCCC1 ZINC000381437151 367403039 /nfs/dbraw/zinc/40/30/39/367403039.db2.gz DBHCKMIOKFJZKD-NTZNESFSSA-N 1 2 224.348 2.472 20 30 BEEDLO CCOc1ccc(C[N@H+](C)CCC#N)cc1 ZINC000046437786 368443574 /nfs/dbraw/zinc/44/35/74/368443574.db2.gz URJZTUYAYTUQKQ-UHFFFAOYSA-N 1 2 218.300 2.431 20 30 BEEDLO CCOc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000046437786 368443580 /nfs/dbraw/zinc/44/35/80/368443580.db2.gz URJZTUYAYTUQKQ-UHFFFAOYSA-N 1 2 218.300 2.431 20 30 BEEDLO C=CC[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454537509 202823730 /nfs/dbraw/zinc/82/37/30/202823730.db2.gz WSMIDQPSGPNHGP-HBNTYKKESA-N 1 2 248.330 2.153 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cccc2c1OCCO2 ZINC000058922447 368526321 /nfs/dbraw/zinc/52/63/21/368526321.db2.gz YMLWMBGXJVVEGZ-LLVKDONJSA-N 1 2 246.310 2.049 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000058922447 368526322 /nfs/dbraw/zinc/52/63/22/368526322.db2.gz YMLWMBGXJVVEGZ-LLVKDONJSA-N 1 2 246.310 2.049 20 30 BEEDLO C=CCCN(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455570274 202887674 /nfs/dbraw/zinc/88/76/74/202887674.db2.gz LLFIMIZCAWPCSG-UHFFFAOYSA-N 1 2 247.342 2.416 20 30 BEEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCCCC1 ZINC000459306487 203253347 /nfs/dbraw/zinc/25/33/47/203253347.db2.gz IQNSTWYLZPZITI-UHFFFAOYSA-N 1 2 245.282 2.452 20 30 BEEDLO Cc1cccc(CC[NH+]2CC(C)(C#N)C2)c1 ZINC000459594122 203309841 /nfs/dbraw/zinc/30/98/41/203309841.db2.gz PDFVNGNNVYIDKX-UHFFFAOYSA-N 1 2 214.312 2.383 20 30 BEEDLO C=CCOc1ccccc1C[NH+]1CC(OCC)C1 ZINC000459594693 203310619 /nfs/dbraw/zinc/31/06/19/203310619.db2.gz LCWOUJZKGLPGDG-UHFFFAOYSA-N 1 2 247.338 2.472 20 30 BEEDLO C[C@@H](CC1CCOCC1)C[NH+]1CC(C)(C#N)C1 ZINC000459587316 203304539 /nfs/dbraw/zinc/30/45/39/203304539.db2.gz FXTRUQSMXMKPJX-LBPRGKRZSA-N 1 2 236.359 2.285 20 30 BEEDLO Cc1cnc(C[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000259941181 370958544 /nfs/dbraw/zinc/95/85/44/370958544.db2.gz IFYPEGUEBVIUMA-LLVKDONJSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1cnc(C[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000259941181 370958548 /nfs/dbraw/zinc/95/85/48/370958548.db2.gz IFYPEGUEBVIUMA-LLVKDONJSA-N 1 2 219.288 2.109 20 30 BEEDLO C=C[C@H]([NH2+]CCCCc1ccccc1)C(=O)OC ZINC000619699658 369533349 /nfs/dbraw/zinc/53/33/49/369533349.db2.gz IZZZLMPIHMIEAG-AWEZNQCLSA-N 1 2 247.338 2.327 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)C(=O)OC ZINC000619703257 369535513 /nfs/dbraw/zinc/53/55/13/369535513.db2.gz YSURPBJTJICPBU-RVMXOQNASA-N 1 2 237.343 2.272 20 30 BEEDLO Cc1cc(C#N)cc(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000601199499 369604073 /nfs/dbraw/zinc/60/40/73/369604073.db2.gz WDWIJQFZTNJVRV-SNVBAGLBSA-N 1 2 241.298 2.168 20 30 BEEDLO Cc1cc(C#N)cc(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000601199498 369605109 /nfs/dbraw/zinc/60/51/09/369605109.db2.gz WDWIJQFZTNJVRV-JTQLQIEISA-N 1 2 241.298 2.168 20 30 BEEDLO C[C@@H](CF)[NH2+]Cc1cccc(F)c1C#N ZINC000602015366 369736486 /nfs/dbraw/zinc/73/64/86/369736486.db2.gz BLASSMGGDPBRRM-QMMMGPOBSA-N 1 2 210.227 2.145 20 30 BEEDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccccc1C#N ZINC000602938301 369865786 /nfs/dbraw/zinc/86/57/86/369865786.db2.gz ONUQBSGRGMHPDP-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccccc1C#N ZINC000602938301 369865791 /nfs/dbraw/zinc/86/57/91/369865791.db2.gz ONUQBSGRGMHPDP-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1nc(C#N)n(Cc2ccc(C)[nH+]c2)c1C ZINC000603425872 369963412 /nfs/dbraw/zinc/96/34/12/369963412.db2.gz ICWSEXKDVRMGNA-UHFFFAOYSA-N 1 2 226.283 2.123 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1cccc(C#N)c1F ZINC000309787304 370260966 /nfs/dbraw/zinc/26/09/66/370260966.db2.gz SWYIXRLMPASJSZ-VIFPVBQESA-N 1 2 217.247 2.089 20 30 BEEDLO C[N@@H+](Cc1ccco1)C[C@@H](C#N)CCC#N ZINC000078316022 370549644 /nfs/dbraw/zinc/54/96/44/370549644.db2.gz HERXKLJRGQZAMR-LLVKDONJSA-N 1 2 217.272 2.155 20 30 BEEDLO C[N@H+](Cc1ccco1)C[C@@H](C#N)CCC#N ZINC000078316022 370549648 /nfs/dbraw/zinc/54/96/48/370549648.db2.gz HERXKLJRGQZAMR-LLVKDONJSA-N 1 2 217.272 2.155 20 30 BEEDLO C=CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621864182 370570660 /nfs/dbraw/zinc/57/06/60/370570660.db2.gz VTIDJNWBGQZOBO-UHFFFAOYSA-N 1 2 247.342 2.112 20 30 BEEDLO C=CCCCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621957553 370620020 /nfs/dbraw/zinc/62/00/20/370620020.db2.gz YMQAAQSQGJPCFF-UHFFFAOYSA-N 1 2 235.331 2.160 20 30 BEEDLO CC[C@H]1COCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000091981918 371071423 /nfs/dbraw/zinc/07/14/23/371071423.db2.gz WBNLBSUORUJKFK-NSHDSACASA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@H]1COCC[N@H+]1Cc1cc(C#N)cs1 ZINC000091981918 371071428 /nfs/dbraw/zinc/07/14/28/371071428.db2.gz WBNLBSUORUJKFK-NSHDSACASA-N 1 2 236.340 2.231 20 30 BEEDLO C=CCCC[C@H](C)[NH2+][C@H](C=C)C(=O)OC ZINC000389965206 371182220 /nfs/dbraw/zinc/18/22/20/371182220.db2.gz XGLSAHLEMMIRSE-WDEREUQCSA-N 1 2 211.305 2.048 20 30 BEEDLO CO[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000171385446 372565115 /nfs/dbraw/zinc/56/51/15/372565115.db2.gz LVBGKEDYHPBYLC-CQSZACIVSA-N 1 2 248.301 2.308 20 30 BEEDLO CO[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000171385446 372565119 /nfs/dbraw/zinc/56/51/19/372565119.db2.gz LVBGKEDYHPBYLC-CQSZACIVSA-N 1 2 248.301 2.308 20 30 BEEDLO C=CCCC(C)(C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000633965154 373863864 /nfs/dbraw/zinc/86/38/64/373863864.db2.gz JFDLJMZHONYNDJ-UHFFFAOYSA-N 1 2 249.358 2.451 20 30 BEEDLO C[C@H]([NH2+]Cc1ccn[nH]1)c1cccc(C#N)c1 ZINC000041015580 374046112 /nfs/dbraw/zinc/04/61/12/374046112.db2.gz WONUYEVEHMMYMT-JTQLQIEISA-N 1 2 226.283 2.132 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nnc(C)n1CCC ZINC000181302356 134335314 /nfs/dbraw/zinc/33/53/14/134335314.db2.gz AGHGCYGCUAJIBH-UHFFFAOYSA-N 1 2 222.336 2.004 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nnc(C)n1CCC ZINC000181302356 134335315 /nfs/dbraw/zinc/33/53/15/134335315.db2.gz AGHGCYGCUAJIBH-UHFFFAOYSA-N 1 2 222.336 2.004 20 30 BEEDLO C=C(C)C[NH2+][C@@H](C(=O)OCC)[C@H](C)CC ZINC000181630772 134338177 /nfs/dbraw/zinc/33/81/77/134338177.db2.gz BROITGCFWPTBCW-GHMZBOCLSA-N 1 2 213.321 2.130 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nnc(C)n1CCC ZINC000152548662 383843982 /nfs/dbraw/zinc/84/39/82/383843982.db2.gz USSMJGFSBALTCD-UHFFFAOYSA-N 1 2 236.363 2.395 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nnc(C)n1CCC ZINC000152548662 383843991 /nfs/dbraw/zinc/84/39/91/383843991.db2.gz USSMJGFSBALTCD-UHFFFAOYSA-N 1 2 236.363 2.395 20 30 BEEDLO CC1(C#N)CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000560110491 383908774 /nfs/dbraw/zinc/90/87/74/383908774.db2.gz BMGOXMILDDTENX-UHFFFAOYSA-N 1 2 204.277 2.294 20 30 BEEDLO COCC[N@H+](CC#N)CC1CCC(C)CC1 ZINC000317141024 383884085 /nfs/dbraw/zinc/88/40/85/383884085.db2.gz KBTVOZBGWRSFTK-UHFFFAOYSA-N 1 2 224.348 2.285 20 30 BEEDLO COCC[N@@H+](CC#N)CC1CCC(C)CC1 ZINC000317141024 383884088 /nfs/dbraw/zinc/88/40/88/383884088.db2.gz KBTVOZBGWRSFTK-UHFFFAOYSA-N 1 2 224.348 2.285 20 30 BEEDLO C=C(C)C[N@@H+](CC)CC(=O)OC(C)(C)C ZINC000070947001 383972018 /nfs/dbraw/zinc/97/20/18/383972018.db2.gz KPIHXFHLVNQMQJ-UHFFFAOYSA-N 1 2 213.321 2.226 20 30 BEEDLO C=C(C)C[N@H+](CC)CC(=O)OC(C)(C)C ZINC000070947001 383972022 /nfs/dbraw/zinc/97/20/22/383972022.db2.gz KPIHXFHLVNQMQJ-UHFFFAOYSA-N 1 2 213.321 2.226 20 30 BEEDLO C#CCCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000270879572 533040872 /nfs/dbraw/zinc/04/08/72/533040872.db2.gz DWFGDRSKQXLNDS-UHFFFAOYSA-N 1 2 234.274 2.184 20 30 BEEDLO CCN(CCC#N)Cc1cn2ccccc2[nH+]1 ZINC000042454543 384222626 /nfs/dbraw/zinc/22/26/26/384222626.db2.gz CILPORZFFNFODL-UHFFFAOYSA-N 1 2 228.299 2.070 20 30 BEEDLO C#CCC[N@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000367006252 533048209 /nfs/dbraw/zinc/04/82/09/533048209.db2.gz ACTGGULPJLUASM-LLVKDONJSA-N 1 2 233.315 2.182 20 30 BEEDLO C#CCC[N@@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000367006252 533048213 /nfs/dbraw/zinc/04/82/13/533048213.db2.gz ACTGGULPJLUASM-LLVKDONJSA-N 1 2 233.315 2.182 20 30 BEEDLO Cc1cc(N2CCC(C)CC2)c(C#N)c[nH+]1 ZINC000335513653 384294857 /nfs/dbraw/zinc/29/48/57/384294857.db2.gz UDQYSXHBNHKEMJ-UHFFFAOYSA-N 1 2 215.300 2.498 20 30 BEEDLO Cc1cc(N2C[C@@H](C)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000335513544 384296453 /nfs/dbraw/zinc/29/64/53/384296453.db2.gz SXHQBGGOVFTRQC-NXEZZACHSA-N 1 2 215.300 2.354 20 30 BEEDLO CC(=C(O)NC1=[NH+]CCS1)c1cccs1 ZINC000078024697 384426378 /nfs/dbraw/zinc/42/63/78/384426378.db2.gz ISPFYZRLJCBMFS-SSDOTTSWSA-N 1 2 240.353 2.071 20 30 BEEDLO CCO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000122048638 384454183 /nfs/dbraw/zinc/45/41/83/384454183.db2.gz BRWMFBCHYUSJMU-UHFFFAOYSA-N 1 2 232.205 2.362 20 30 BEEDLO Cc1[nH+]c2ccccn2c1CN(C)[C@@H](C)CC#N ZINC000161891503 384536884 /nfs/dbraw/zinc/53/68/84/384536884.db2.gz CNQIXQSJIAONKG-NSHDSACASA-N 1 2 242.326 2.377 20 30 BEEDLO Cc1nc2ccccn2c1C[N@@H+](C)[C@@H](C)CC#N ZINC000161891503 384536889 /nfs/dbraw/zinc/53/68/89/384536889.db2.gz CNQIXQSJIAONKG-NSHDSACASA-N 1 2 242.326 2.377 20 30 BEEDLO Cc1nc2ccccn2c1C[N@H+](C)[C@@H](C)CC#N ZINC000161891503 384536894 /nfs/dbraw/zinc/53/68/94/384536894.db2.gz CNQIXQSJIAONKG-NSHDSACASA-N 1 2 242.326 2.377 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1OC ZINC000049836448 384574607 /nfs/dbraw/zinc/57/46/07/384574607.db2.gz KELVCSORBHDDIP-LLVKDONJSA-N 1 2 248.326 2.438 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1OC ZINC000049836448 384574614 /nfs/dbraw/zinc/57/46/14/384574614.db2.gz KELVCSORBHDDIP-LLVKDONJSA-N 1 2 248.326 2.438 20 30 BEEDLO C=C(Cl)C[N@H+](C)CCc1nccs1 ZINC000157839454 384580359 /nfs/dbraw/zinc/58/03/59/384580359.db2.gz DSCUEFVJQOZJRC-UHFFFAOYSA-N 1 2 216.737 2.370 20 30 BEEDLO C=C(Cl)C[N@@H+](C)CCc1nccs1 ZINC000157839454 384580367 /nfs/dbraw/zinc/58/03/67/384580367.db2.gz DSCUEFVJQOZJRC-UHFFFAOYSA-N 1 2 216.737 2.370 20 30 BEEDLO N#CCC[N@@H+](CCCF)Cc1ccco1 ZINC000151323075 384564492 /nfs/dbraw/zinc/56/44/92/384564492.db2.gz LOHBDRAFUJABHS-UHFFFAOYSA-N 1 2 210.252 2.355 20 30 BEEDLO N#CCC[N@H+](CCCF)Cc1ccco1 ZINC000151323075 384564498 /nfs/dbraw/zinc/56/44/98/384564498.db2.gz LOHBDRAFUJABHS-UHFFFAOYSA-N 1 2 210.252 2.355 20 30 BEEDLO COC(=O)[C@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000050509624 384627711 /nfs/dbraw/zinc/62/77/11/384627711.db2.gz GURITYMGKFZYKA-CYBMUJFWSA-N 1 2 246.310 2.184 20 30 BEEDLO CCN(CC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101546974 384675166 /nfs/dbraw/zinc/67/51/66/384675166.db2.gz CAAAGCGOMXOFFA-UHFFFAOYSA-N 1 2 240.310 2.218 20 30 BEEDLO Cc1nsc(N[C@H](C)Cn2cc[nH+]c2)c1C#N ZINC000092912544 384725706 /nfs/dbraw/zinc/72/57/06/384725706.db2.gz XCNYGZBRUCKJEP-MRVPVSSYSA-N 1 2 247.327 2.020 20 30 BEEDLO C#CC[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000101546211 384676963 /nfs/dbraw/zinc/67/69/63/384676963.db2.gz REIXRSDRALINKS-UHFFFAOYSA-N 1 2 233.315 2.150 20 30 BEEDLO N#CC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000173587268 384697039 /nfs/dbraw/zinc/69/70/39/384697039.db2.gz PXOPRULJOSZCMS-UHFFFAOYSA-N 1 2 235.718 2.471 20 30 BEEDLO Cn1cc(CCC/[NH+]=C/c2ccccc2O)cn1 ZINC000102598395 384719581 /nfs/dbraw/zinc/71/95/81/384719581.db2.gz QIQIMNYWNRVPTB-XNTDXEJSSA-N 1 2 243.310 2.177 20 30 BEEDLO CC#CCC[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000155730278 384755542 /nfs/dbraw/zinc/75/55/42/384755542.db2.gz SOCLZCDBHOFGMG-CYBMUJFWSA-N 1 2 233.311 2.375 20 30 BEEDLO CC#CCC[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000155730278 384755552 /nfs/dbraw/zinc/75/55/52/384755552.db2.gz SOCLZCDBHOFGMG-CYBMUJFWSA-N 1 2 233.311 2.375 20 30 BEEDLO N#Cc1ccc(COCc2[nH]cc[nH+]2)cc1F ZINC000188135230 384824612 /nfs/dbraw/zinc/82/46/12/384824612.db2.gz BTTUXGCNHPTQOM-UHFFFAOYSA-N 1 2 231.230 2.137 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc2ccccc2o1 ZINC000156245498 384827871 /nfs/dbraw/zinc/82/78/71/384827871.db2.gz NHEGJFYKUAJYDF-UHFFFAOYSA-N 1 2 214.268 2.283 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc2ccccc2o1 ZINC000156245498 384827882 /nfs/dbraw/zinc/82/78/82/384827882.db2.gz NHEGJFYKUAJYDF-UHFFFAOYSA-N 1 2 214.268 2.283 20 30 BEEDLO C#C[C@H](CC)[NH2+]Cc1c(F)ccc(O)c1F ZINC000491072983 384813142 /nfs/dbraw/zinc/81/31/42/384813142.db2.gz WSEKGWBZTGYNOX-MRVPVSSYSA-N 1 2 225.238 2.172 20 30 BEEDLO C[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@H](C#N)C2)C1 ZINC000092796339 384848104 /nfs/dbraw/zinc/84/81/04/384848104.db2.gz RZPVGPHMKOCXLX-JHJVBQTASA-N 1 2 222.332 2.037 20 30 BEEDLO C[C@@H]1CCC[C@@H](C[N@H+]2CCO[C@H](C#N)C2)C1 ZINC000092796339 384848109 /nfs/dbraw/zinc/84/81/09/384848109.db2.gz RZPVGPHMKOCXLX-JHJVBQTASA-N 1 2 222.332 2.037 20 30 BEEDLO C=C(CC)CNc1nc[nH+]c(N)c1Cl ZINC000307054663 384933041 /nfs/dbraw/zinc/93/30/41/384933041.db2.gz XUFOUNPJKQDDPZ-UHFFFAOYSA-N 1 2 212.684 2.090 20 30 BEEDLO C=C(CC)CNc1[nH+]cnc(N)c1Cl ZINC000307054663 384933048 /nfs/dbraw/zinc/93/30/48/384933048.db2.gz XUFOUNPJKQDDPZ-UHFFFAOYSA-N 1 2 212.684 2.090 20 30 BEEDLO Cc1ccc(C[NH2+]CC2(C#N)CCC2)o1 ZINC000258826772 384938964 /nfs/dbraw/zinc/93/89/64/384938964.db2.gz CWNJRUBGZKVHJZ-UHFFFAOYSA-N 1 2 204.273 2.372 20 30 BEEDLO C[C@@H]1OCC[N@H+](CC#Cc2ccc(F)cc2)[C@H]1C ZINC000157145496 385068916 /nfs/dbraw/zinc/06/89/16/385068916.db2.gz DBNIQLWUYJIHMI-STQMWFEESA-N 1 2 247.313 2.286 20 30 BEEDLO C[C@@H]1OCC[N@@H+](CC#Cc2ccc(F)cc2)[C@H]1C ZINC000157145496 385068924 /nfs/dbraw/zinc/06/89/24/385068924.db2.gz DBNIQLWUYJIHMI-STQMWFEESA-N 1 2 247.313 2.286 20 30 BEEDLO C#C[C@H](CCC)[NH2+][C@@H](CCC)C(=O)OCC ZINC000233358633 259662256 /nfs/dbraw/zinc/66/22/56/259662256.db2.gz KSVHZGBTOFQBSB-NEPJUHHUSA-N 1 2 225.332 2.110 20 30 BEEDLO CC(C)(C)Oc1ccc(C[NH2+]CCC#N)cn1 ZINC000564873463 385304391 /nfs/dbraw/zinc/30/43/91/385304391.db2.gz OOPNEDGTWPSZQH-UHFFFAOYSA-N 1 2 233.315 2.262 20 30 BEEDLO COc1ccc(C[N@H+](C)CCC#N)cc1 ZINC000019834137 385324157 /nfs/dbraw/zinc/32/41/57/385324157.db2.gz RFCMCNBMZRCYAV-UHFFFAOYSA-N 1 2 204.273 2.041 20 30 BEEDLO COc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000019834137 385324160 /nfs/dbraw/zinc/32/41/60/385324160.db2.gz RFCMCNBMZRCYAV-UHFFFAOYSA-N 1 2 204.273 2.041 20 30 BEEDLO Cc1ccc(C[S@@](=O)CCCC#N)c(C)[nH+]1 ZINC000190853657 385265392 /nfs/dbraw/zinc/26/53/92/385265392.db2.gz BJGIHSONFUPXAQ-INIZCTEOSA-N 1 2 236.340 2.251 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(CSC)s1 ZINC000491265029 385283439 /nfs/dbraw/zinc/28/34/39/385283439.db2.gz JGSBSSPSWFESEK-VIFPVBQESA-N 1 2 240.397 2.460 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(CSC)s1 ZINC000491265029 385283442 /nfs/dbraw/zinc/28/34/42/385283442.db2.gz JGSBSSPSWFESEK-VIFPVBQESA-N 1 2 240.397 2.460 20 30 BEEDLO Cc1c[nH+]cc(N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000309209903 385478495 /nfs/dbraw/zinc/47/84/95/385478495.db2.gz SPOQGMMEEBZEMH-MNOVXSKESA-N 1 2 201.273 2.494 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1Cc1ccccc1SC ZINC000491734101 385729430 /nfs/dbraw/zinc/72/94/30/385729430.db2.gz SHQIVHHGQRLDNR-ZDUSSCGKSA-N 1 2 247.363 2.243 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1Cc1ccccc1SC ZINC000491734101 385729435 /nfs/dbraw/zinc/72/94/35/385729435.db2.gz SHQIVHHGQRLDNR-ZDUSSCGKSA-N 1 2 247.363 2.243 20 30 BEEDLO Cc1cc(C)c(CN(CC#N)C2CC2)c(C)[nH+]1 ZINC000602772568 385819668 /nfs/dbraw/zinc/81/96/68/385819668.db2.gz UAHYUKYLSCYROT-UHFFFAOYSA-N 1 2 229.327 2.495 20 30 BEEDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C#N)s2)n1 ZINC000361608878 385975829 /nfs/dbraw/zinc/97/58/29/385975829.db2.gz HLVMXUXCDTYIPB-ZETCQYMHSA-N 1 2 248.311 2.162 20 30 BEEDLO C=CC1CC[NH+](Cc2nc(C(F)F)no2)CC1 ZINC000425403864 385967123 /nfs/dbraw/zinc/96/71/23/385967123.db2.gz KIVNNDJPWYLCRV-UHFFFAOYSA-N 1 2 243.257 2.405 20 30 BEEDLO CC(=O)c1ccc2c(c1)CC[N@@H+](CCC#N)CC2 ZINC000334423441 386032140 /nfs/dbraw/zinc/03/21/40/386032140.db2.gz SBKGFONMDNDLJZ-UHFFFAOYSA-N 1 2 242.322 2.203 20 30 BEEDLO CC(=O)c1ccc2c(c1)CC[N@H+](CCC#N)CC2 ZINC000334423441 386032146 /nfs/dbraw/zinc/03/21/46/386032146.db2.gz SBKGFONMDNDLJZ-UHFFFAOYSA-N 1 2 242.322 2.203 20 30 BEEDLO CC1(C)C[NH+](C[C@@H](C#N)CCC#N)CC(C)(C)O1 ZINC000190528547 386241247 /nfs/dbraw/zinc/24/12/47/386241247.db2.gz BAWSDJJPDDGOHD-GFCCVEGCSA-N 1 2 249.358 2.319 20 30 BEEDLO Cc1cc(N)nc(S[C@H](C)CCC#N)[nH+]1 ZINC000188264203 386337342 /nfs/dbraw/zinc/33/73/42/386337342.db2.gz YRIWWJVSEYMJTP-MRVPVSSYSA-N 1 2 222.317 2.152 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000519492549 386468394 /nfs/dbraw/zinc/46/83/94/386468394.db2.gz NOLMWIHDALYLQZ-SNVBAGLBSA-N 1 2 249.270 2.082 20 30 BEEDLO N#CC1(C[N@H+]2CCc3ccc(O)cc3C2)CC1 ZINC000335427353 386481421 /nfs/dbraw/zinc/48/14/21/386481421.db2.gz MJTXOZANRRKOJY-UHFFFAOYSA-N 1 2 228.295 2.054 20 30 BEEDLO N#CC1(C[N@@H+]2CCc3ccc(O)cc3C2)CC1 ZINC000335427353 386481427 /nfs/dbraw/zinc/48/14/27/386481427.db2.gz MJTXOZANRRKOJY-UHFFFAOYSA-N 1 2 228.295 2.054 20 30 BEEDLO N#CCCC1CC[NH+](Cc2csnn2)CC1 ZINC000399360363 386518885 /nfs/dbraw/zinc/51/88/85/386518885.db2.gz QBJDADYNGUYYSR-UHFFFAOYSA-N 1 2 236.344 2.054 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc(C2CC2)cs1 ZINC000339759608 386593527 /nfs/dbraw/zinc/59/35/27/386593527.db2.gz GQGGAZHAWMPOGK-UHFFFAOYSA-N 1 2 220.341 2.476 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc(C2CC2)cs1 ZINC000339759608 386593532 /nfs/dbraw/zinc/59/35/32/386593532.db2.gz GQGGAZHAWMPOGK-UHFFFAOYSA-N 1 2 220.341 2.476 20 30 BEEDLO C=C(CC)CNc1cc(C)[nH+]cc1C#N ZINC000399428410 386567650 /nfs/dbraw/zinc/56/76/50/386567650.db2.gz HQXONTJVEVAMHS-UHFFFAOYSA-N 1 2 201.273 2.062 20 30 BEEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000328934580 386648644 /nfs/dbraw/zinc/64/86/44/386648644.db2.gz IYSLMUBBYTTYID-WCBMZHEXSA-N 1 2 233.315 2.270 20 30 BEEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000328934580 386648648 /nfs/dbraw/zinc/64/86/48/386648648.db2.gz IYSLMUBBYTTYID-WCBMZHEXSA-N 1 2 233.315 2.270 20 30 BEEDLO CCn1c[nH+]cc1CN(C[C@H](C)C#N)C1CC1 ZINC000417778757 386713238 /nfs/dbraw/zinc/71/32/38/386713238.db2.gz GFDDTMPOMIGRJZ-LLVKDONJSA-N 1 2 232.331 2.027 20 30 BEEDLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)C ZINC000330468836 386725420 /nfs/dbraw/zinc/72/54/20/386725420.db2.gz YWVJNKXVOJEFPW-SECBINFHSA-N 1 2 209.293 2.457 20 30 BEEDLO C[N@H+](Cc1nccs1)[C@H]1CC[C@@H](C#N)C1 ZINC000292916360 386749676 /nfs/dbraw/zinc/74/96/76/386749676.db2.gz XPANSIBIAUGXQB-ZJUUUORDSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1nccs1)[C@H]1CC[C@@H](C#N)C1 ZINC000292916360 386749681 /nfs/dbraw/zinc/74/96/81/386749681.db2.gz XPANSIBIAUGXQB-ZJUUUORDSA-N 1 2 221.329 2.267 20 30 BEEDLO C=CC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000125116319 386754088 /nfs/dbraw/zinc/75/40/88/386754088.db2.gz WHLPLRMNOIIYNY-LBPRGKRZSA-N 1 2 219.284 2.019 20 30 BEEDLO C=CC[N@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000125116319 386754090 /nfs/dbraw/zinc/75/40/90/386754090.db2.gz WHLPLRMNOIIYNY-LBPRGKRZSA-N 1 2 219.284 2.019 20 30 BEEDLO Cc1cc(NCCOC2CCCC2)c(C#N)c[nH+]1 ZINC000399371772 386758496 /nfs/dbraw/zinc/75/84/96/386758496.db2.gz KTXMMHHEIUZFME-UHFFFAOYSA-N 1 2 245.326 2.055 20 30 BEEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1nccn1C(F)F ZINC000330666563 386817434 /nfs/dbraw/zinc/81/74/34/386817434.db2.gz SHGHMEKFCMCWRO-DTWKUNHWSA-N 1 2 240.257 2.060 20 30 BEEDLO C=CCCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125703908 386874704 /nfs/dbraw/zinc/87/47/04/386874704.db2.gz KDVYRRQCBMUACP-STQMWFEESA-N 1 2 247.342 2.259 20 30 BEEDLO CO[C@@]1(C)CCCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399502883 386911007 /nfs/dbraw/zinc/91/10/07/386911007.db2.gz JEQPGFDPMZLIFX-AWEZNQCLSA-N 1 2 245.326 2.267 20 30 BEEDLO Cc1cc(NC[C@@H](C)C(C)C)c(C#N)c[nH+]1 ZINC000399596581 387033296 /nfs/dbraw/zinc/03/32/96/387033296.db2.gz RNTXZEIPTYZKII-SNVBAGLBSA-N 1 2 217.316 2.388 20 30 BEEDLO Cc1cc(NCC2(C3CC3)CC2)c(C#N)c[nH+]1 ZINC000399632994 387061253 /nfs/dbraw/zinc/06/12/53/387061253.db2.gz GYONTHMGXFKIMX-UHFFFAOYSA-N 1 2 227.311 2.286 20 30 BEEDLO CCC(C)(C)OCCNc1cc(C)[nH+]cc1C#N ZINC000399424658 387092387 /nfs/dbraw/zinc/09/23/87/387092387.db2.gz GMEMTVLPRUWTFQ-UHFFFAOYSA-N 1 2 247.342 2.301 20 30 BEEDLO CCn1c[nH+]cc1CN1CCCC(C)(C)[C@H]1C#N ZINC000334950546 387115010 /nfs/dbraw/zinc/11/50/10/387115010.db2.gz ZXXGIGALRAAZBN-CYBMUJFWSA-N 1 2 246.358 2.417 20 30 BEEDLO CC[C@H](C)[C@@H](CNc1cc(C)[nH+]cc1C#N)OC ZINC000399466129 387123533 /nfs/dbraw/zinc/12/35/33/387123533.db2.gz RSFHFRRZUXTCIY-IINYFYTJSA-N 1 2 247.342 2.157 20 30 BEEDLO C=CC[N@@H+](C)Cc1csc(NCC)n1 ZINC001645354921 1172659913 /nfs/dbraw/zinc/65/99/13/1172659913.db2.gz ATPUYBMBHSAGPG-UHFFFAOYSA-N 1 2 211.334 2.193 20 30 BEEDLO C=CC[N@H+](C)Cc1csc(NCC)n1 ZINC001645354921 1172659917 /nfs/dbraw/zinc/65/99/17/1172659917.db2.gz ATPUYBMBHSAGPG-UHFFFAOYSA-N 1 2 211.334 2.193 20 30 BEEDLO Cc1ccc(C[NH2+]CC2(C#N)CCC2)nc1 ZINC000418145012 387166692 /nfs/dbraw/zinc/16/66/92/387166692.db2.gz WJVNKEKBFNEHDE-UHFFFAOYSA-N 1 2 215.300 2.174 20 30 BEEDLO CCc1cnc(C[NH2+]CC2(C#N)CCC2)s1 ZINC000418135313 387169975 /nfs/dbraw/zinc/16/99/75/387169975.db2.gz AJTYHAWXHVTTQO-UHFFFAOYSA-N 1 2 235.356 2.489 20 30 BEEDLO CC[C@H](C)CNc1cc(C)[nH+]cc1C#N ZINC000399756715 387188208 /nfs/dbraw/zinc/18/82/08/387188208.db2.gz WQHXBLPEJSNEAW-VIFPVBQESA-N 1 2 203.289 2.142 20 30 BEEDLO C[N@H+](Cc1cocn1)Cc1ccc(C#N)cc1 ZINC000191926729 387223955 /nfs/dbraw/zinc/22/39/55/387223955.db2.gz BXTZKOGOMHYFMM-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C[N@@H+](Cc1cocn1)Cc1ccc(C#N)cc1 ZINC000191926729 387223962 /nfs/dbraw/zinc/22/39/62/387223962.db2.gz BXTZKOGOMHYFMM-UHFFFAOYSA-N 1 2 227.267 2.178 20 30 BEEDLO C#CCC[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000270607961 387433261 /nfs/dbraw/zinc/43/32/61/387433261.db2.gz MUVBEHKAJOWYIB-HNNXBMFYSA-N 1 2 245.322 2.092 20 30 BEEDLO C#CCC[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000270607961 387433267 /nfs/dbraw/zinc/43/32/67/387433267.db2.gz MUVBEHKAJOWYIB-HNNXBMFYSA-N 1 2 245.322 2.092 20 30 BEEDLO C=CC[C@H](C)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000271204295 387442064 /nfs/dbraw/zinc/44/20/64/387442064.db2.gz QUNWBWYSWPWQNR-JTQLQIEISA-N 1 2 249.362 2.438 20 30 BEEDLO C=CC[C@H](C)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000271204295 387442069 /nfs/dbraw/zinc/44/20/69/387442069.db2.gz QUNWBWYSWPWQNR-JTQLQIEISA-N 1 2 249.362 2.438 20 30 BEEDLO C#CC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000273406961 387458797 /nfs/dbraw/zinc/45/87/97/387458797.db2.gz VPZBUYGEOPXFKG-GFCCVEGCSA-N 1 2 245.326 2.497 20 30 BEEDLO C#CC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000273406961 387458803 /nfs/dbraw/zinc/45/88/03/387458803.db2.gz VPZBUYGEOPXFKG-GFCCVEGCSA-N 1 2 245.326 2.497 20 30 BEEDLO C=C1CC[NH+](Cc2nc(CC(C)C)no2)CC1 ZINC000264434595 387391376 /nfs/dbraw/zinc/39/13/76/387391376.db2.gz DFLUROCIICDVEB-UHFFFAOYSA-N 1 2 235.331 2.420 20 30 BEEDLO C#CC[N@@H+](CC)Cc1cc(-c2ccco2)on1 ZINC000267367389 387409861 /nfs/dbraw/zinc/40/98/61/387409861.db2.gz XOLYBLNXDAYHRD-UHFFFAOYSA-N 1 2 230.267 2.390 20 30 BEEDLO C#CC[N@H+](CC)Cc1cc(-c2ccco2)on1 ZINC000267367389 387409863 /nfs/dbraw/zinc/40/98/63/387409863.db2.gz XOLYBLNXDAYHRD-UHFFFAOYSA-N 1 2 230.267 2.390 20 30 BEEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccn1 ZINC000352842611 387516777 /nfs/dbraw/zinc/51/67/77/387516777.db2.gz WISFEIDLNBPDJS-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO CC#CCCCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000278540795 387543983 /nfs/dbraw/zinc/54/39/83/387543983.db2.gz FJROINXKPNXPSV-ZDUSSCGKSA-N 1 2 247.342 2.417 20 30 BEEDLO C=CC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000192680112 387522944 /nfs/dbraw/zinc/52/29/44/387522944.db2.gz ZSQGBLSWPCKJPR-MRVPVSSYSA-N 1 2 209.293 2.204 20 30 BEEDLO C#CC[N@@H+](C)Cc1ccn(C(CC)CC)n1 ZINC000276916607 387525812 /nfs/dbraw/zinc/52/58/12/387525812.db2.gz GLYPYROMBJVRSJ-UHFFFAOYSA-N 1 2 219.332 2.309 20 30 BEEDLO C#CC[N@H+](C)Cc1ccn(C(CC)CC)n1 ZINC000276916607 387525818 /nfs/dbraw/zinc/52/58/18/387525818.db2.gz GLYPYROMBJVRSJ-UHFFFAOYSA-N 1 2 219.332 2.309 20 30 BEEDLO C#CC[N@@H+](Cc1cccnc1Cl)C1CC1 ZINC000274011110 387463405 /nfs/dbraw/zinc/46/34/05/387463405.db2.gz ARCRBMXCTDYJFC-UHFFFAOYSA-N 1 2 220.703 2.333 20 30 BEEDLO C#CC[N@H+](Cc1cccnc1Cl)C1CC1 ZINC000274011110 387463409 /nfs/dbraw/zinc/46/34/09/387463409.db2.gz ARCRBMXCTDYJFC-UHFFFAOYSA-N 1 2 220.703 2.333 20 30 BEEDLO C=CCCCN(C)c1[nH+]cccc1OC ZINC000527897340 387778603 /nfs/dbraw/zinc/77/86/03/387778603.db2.gz GIVMWURAFXKSSZ-UHFFFAOYSA-N 1 2 206.289 2.493 20 30 BEEDLO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442782952 387839043 /nfs/dbraw/zinc/83/90/43/387839043.db2.gz PEPPMYLQEMKHJI-BARDWOONSA-N 1 2 249.402 2.389 20 30 BEEDLO N#CCC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444707423 387912807 /nfs/dbraw/zinc/91/28/07/387912807.db2.gz PPVDCPSVMOUZAJ-QMMMGPOBSA-N 1 2 206.211 2.174 20 30 BEEDLO N#CCC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444707423 387912814 /nfs/dbraw/zinc/91/28/14/387912814.db2.gz PPVDCPSVMOUZAJ-QMMMGPOBSA-N 1 2 206.211 2.174 20 30 BEEDLO C[C@@H](O)CCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444725526 387916662 /nfs/dbraw/zinc/91/66/62/387916662.db2.gz NJTCHVAIQPZKTE-VXGBXAGGSA-N 1 2 224.348 2.162 20 30 BEEDLO C[C@@H](O)CCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444725526 387916667 /nfs/dbraw/zinc/91/66/67/387916667.db2.gz NJTCHVAIQPZKTE-VXGBXAGGSA-N 1 2 224.348 2.162 20 30 BEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCC#N ZINC000444785047 387933213 /nfs/dbraw/zinc/93/32/13/387933213.db2.gz XEPYKQOCNPQYLO-ZDUSSCGKSA-N 1 2 238.331 2.098 20 30 BEEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCC#N ZINC000444785047 387933219 /nfs/dbraw/zinc/93/32/19/387933219.db2.gz XEPYKQOCNPQYLO-ZDUSSCGKSA-N 1 2 238.331 2.098 20 30 BEEDLO C=C(CC)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000439454669 387998573 /nfs/dbraw/zinc/99/85/73/387998573.db2.gz OJOCQGLLINGWRQ-ZDUSSCGKSA-N 1 2 242.326 2.450 20 30 BEEDLO C=C(CC)C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000453356645 388058864 /nfs/dbraw/zinc/05/88/64/388058864.db2.gz LABKCDNZBFWYJD-CYBMUJFWSA-N 1 2 242.326 2.450 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ncnn1CCC ZINC000447881101 388098954 /nfs/dbraw/zinc/09/89/54/388098954.db2.gz XMWPQHXVXIDYOX-GFCCVEGCSA-N 1 2 234.347 2.229 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ncnn1CCC ZINC000447881101 388098958 /nfs/dbraw/zinc/09/89/58/388098958.db2.gz XMWPQHXVXIDYOX-GFCCVEGCSA-N 1 2 234.347 2.229 20 30 BEEDLO C=C(C)CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454833550 388136222 /nfs/dbraw/zinc/13/62/22/388136222.db2.gz JLCGDDOWKHHQDP-UHFFFAOYSA-N 1 2 233.315 2.074 20 30 BEEDLO C=CCCCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456351665 388196495 /nfs/dbraw/zinc/19/64/95/388196495.db2.gz KVQBZYSFVMFVDZ-LLVKDONJSA-N 1 2 235.331 2.437 20 30 BEEDLO C=CCCCC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456351667 388196561 /nfs/dbraw/zinc/19/65/61/388196561.db2.gz KVQBZYSFVMFVDZ-NSHDSACASA-N 1 2 235.331 2.437 20 30 BEEDLO C#CC[N@@H+](Cc1nnc(C)s1)C1CCCC1 ZINC000490897293 388258919 /nfs/dbraw/zinc/25/89/19/388258919.db2.gz AZWBUGSPWYJAPQ-UHFFFAOYSA-N 1 2 235.356 2.224 20 30 BEEDLO C#CC[N@H+](Cc1nnc(C)s1)C1CCCC1 ZINC000490897293 388258921 /nfs/dbraw/zinc/25/89/21/388258921.db2.gz AZWBUGSPWYJAPQ-UHFFFAOYSA-N 1 2 235.356 2.224 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cnc(CC)s1 ZINC000490915085 388259765 /nfs/dbraw/zinc/25/97/65/388259765.db2.gz LSUXGWMWKMIPJP-UHFFFAOYSA-N 1 2 232.352 2.164 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cnc(CC)s1 ZINC000490915085 388259766 /nfs/dbraw/zinc/25/97/66/388259766.db2.gz LSUXGWMWKMIPJP-UHFFFAOYSA-N 1 2 232.352 2.164 20 30 BEEDLO C[C@@H](O)C[N@H+](CC(F)F)CC(C)(C)CCC#N ZINC000449625603 388245147 /nfs/dbraw/zinc/24/51/47/388245147.db2.gz BPKMEMVLJRETMI-SNVBAGLBSA-N 1 2 248.317 2.264 20 30 BEEDLO C[C@@H](O)C[N@@H+](CC(F)F)CC(C)(C)CCC#N ZINC000449625603 388245149 /nfs/dbraw/zinc/24/51/49/388245149.db2.gz BPKMEMVLJRETMI-SNVBAGLBSA-N 1 2 248.317 2.264 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cccc(Cl)n1 ZINC000490690503 388247342 /nfs/dbraw/zinc/24/73/42/388247342.db2.gz SCYWQGCHYBJTPX-UHFFFAOYSA-N 1 2 232.714 2.194 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cccc(Cl)n1 ZINC000490690503 388247344 /nfs/dbraw/zinc/24/73/44/388247344.db2.gz SCYWQGCHYBJTPX-UHFFFAOYSA-N 1 2 232.714 2.194 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000491287650 388282426 /nfs/dbraw/zinc/28/24/26/388282426.db2.gz NNNXLZRNVULXKP-UHFFFAOYSA-N 1 2 221.304 2.037 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000491287650 388282427 /nfs/dbraw/zinc/28/24/27/388282427.db2.gz NNNXLZRNVULXKP-UHFFFAOYSA-N 1 2 221.304 2.037 20 30 BEEDLO C#CC[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000491465732 388296964 /nfs/dbraw/zinc/29/69/64/388296964.db2.gz XTIRWLOPXDIUPZ-UHFFFAOYSA-N 1 2 218.231 2.032 20 30 BEEDLO C#CC[N@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000491465732 388296965 /nfs/dbraw/zinc/29/69/65/388296965.db2.gz XTIRWLOPXDIUPZ-UHFFFAOYSA-N 1 2 218.231 2.032 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)c1cc(C)n(CC)c1C ZINC000491475154 388297258 /nfs/dbraw/zinc/29/72/58/388297258.db2.gz UHSANIXXOTZVSA-NSHDSACASA-N 1 2 246.354 2.261 20 30 BEEDLO C#C[C@H](C)[N@H+](C)CC(=O)c1cc(C)n(CC)c1C ZINC000491475154 388297261 /nfs/dbraw/zinc/29/72/61/388297261.db2.gz UHSANIXXOTZVSA-NSHDSACASA-N 1 2 246.354 2.261 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000491631145 388306669 /nfs/dbraw/zinc/30/66/69/388306669.db2.gz QAQHXUPCMFFXHF-JTQLQIEISA-N 1 2 220.316 2.426 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000491631145 388306670 /nfs/dbraw/zinc/30/66/70/388306670.db2.gz QAQHXUPCMFFXHF-JTQLQIEISA-N 1 2 220.316 2.426 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(C)c2ccccc2n1 ZINC000491659050 388308939 /nfs/dbraw/zinc/30/89/39/388308939.db2.gz MGRNPJVUDRLLCB-NSHDSACASA-N 1 2 239.322 2.392 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(C)c2ccccc2n1 ZINC000491659050 388308940 /nfs/dbraw/zinc/30/89/40/388308940.db2.gz MGRNPJVUDRLLCB-NSHDSACASA-N 1 2 239.322 2.392 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000491694856 388311655 /nfs/dbraw/zinc/31/16/55/388311655.db2.gz NMCBGMPYLWAVFQ-UHFFFAOYSA-N 1 2 248.282 2.059 20 30 BEEDLO C#CC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000491694856 388311656 /nfs/dbraw/zinc/31/16/56/388311656.db2.gz NMCBGMPYLWAVFQ-UHFFFAOYSA-N 1 2 248.282 2.059 20 30 BEEDLO C#C[C@H]([NH2+]Cc1cncn1C)c1ccc(F)cc1 ZINC000491747100 388317186 /nfs/dbraw/zinc/31/71/86/388317186.db2.gz PEWDHDHVUUDMOP-AWEZNQCLSA-N 1 2 243.285 2.023 20 30 BEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000491760676 388318713 /nfs/dbraw/zinc/31/87/13/388318713.db2.gz SBZIBHNSETYBPV-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000491760676 388318714 /nfs/dbraw/zinc/31/87/14/388318714.db2.gz SBZIBHNSETYBPV-ZDUSSCGKSA-N 1 2 244.338 2.195 20 30 BEEDLO C#C[C@@H](C)N(C)c1[nH+]c2ccccc2n1C ZINC000491770630 388318982 /nfs/dbraw/zinc/31/89/82/388318982.db2.gz PBRKHKZNIUAZHD-SNVBAGLBSA-N 1 2 213.284 2.031 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000491771754 388319430 /nfs/dbraw/zinc/31/94/30/388319430.db2.gz PGKOOSAQJTYGKP-SNVBAGLBSA-N 1 2 248.282 2.057 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000491771754 388319431 /nfs/dbraw/zinc/31/94/31/388319431.db2.gz PGKOOSAQJTYGKP-SNVBAGLBSA-N 1 2 248.282 2.057 20 30 BEEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)OCC ZINC000491812300 388322959 /nfs/dbraw/zinc/32/29/59/388322959.db2.gz NNTOZJQMYRVOJG-CYBMUJFWSA-N 1 2 245.322 2.073 20 30 BEEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)OCC ZINC000491812300 388322960 /nfs/dbraw/zinc/32/29/60/388322960.db2.gz NNTOZJQMYRVOJG-CYBMUJFWSA-N 1 2 245.322 2.073 20 30 BEEDLO N#CC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528368121 388452091 /nfs/dbraw/zinc/45/20/91/388452091.db2.gz UUFAZDUENRCTAT-UHFFFAOYSA-N 1 2 235.718 2.471 20 30 BEEDLO C=CC[N@@H+](C)Cc1ncc(Cl)s1 ZINC000336634778 388458977 /nfs/dbraw/zinc/45/89/77/388458977.db2.gz CYTKGCFBMYPYID-UHFFFAOYSA-N 1 2 202.710 2.414 20 30 BEEDLO C=CC[N@H+](C)Cc1ncc(Cl)s1 ZINC000336634778 388458979 /nfs/dbraw/zinc/45/89/79/388458979.db2.gz CYTKGCFBMYPYID-UHFFFAOYSA-N 1 2 202.710 2.414 20 30 BEEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1csc(CC)n1 ZINC000649256221 388472537 /nfs/dbraw/zinc/47/25/37/388472537.db2.gz XASKSZPOGJBYRV-LLVKDONJSA-N 1 2 240.372 2.074 20 30 BEEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1csc(CC)n1 ZINC000649256221 388472538 /nfs/dbraw/zinc/47/25/38/388472538.db2.gz XASKSZPOGJBYRV-LLVKDONJSA-N 1 2 240.372 2.074 20 30 BEEDLO CC[C@@H]1CN(C)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000552136155 388575346 /nfs/dbraw/zinc/57/53/46/388575346.db2.gz YNVLZXOZJCDPCC-GFCCVEGCSA-N 1 2 249.383 2.146 20 30 BEEDLO CC[C@@H]1CN(C)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000552136155 388575348 /nfs/dbraw/zinc/57/53/48/388575348.db2.gz YNVLZXOZJCDPCC-GFCCVEGCSA-N 1 2 249.383 2.146 20 30 BEEDLO C[C@H]([NH2+]CC(F)F)c1ccc(C#N)cc1 ZINC000037755953 388629942 /nfs/dbraw/zinc/62/99/42/388629942.db2.gz WZNYXFHSKJAXEX-QMMMGPOBSA-N 1 2 210.227 2.474 20 30 BEEDLO CC(C)C(C[N@@H+]1CCO[C@H](C#N)C1)C(C)C ZINC000551805210 388641621 /nfs/dbraw/zinc/64/16/21/388641621.db2.gz CCRUUEMZJWPMAL-GFCCVEGCSA-N 1 2 224.348 2.139 20 30 BEEDLO CC(C)C(C[N@H+]1CCO[C@H](C#N)C1)C(C)C ZINC000551805210 388641624 /nfs/dbraw/zinc/64/16/24/388641624.db2.gz CCRUUEMZJWPMAL-GFCCVEGCSA-N 1 2 224.348 2.139 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000093418632 388742544 /nfs/dbraw/zinc/74/25/44/388742544.db2.gz DMHBIPHRVHSTIY-ZJUUUORDSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cc(C#N)cs1 ZINC000093418632 388742548 /nfs/dbraw/zinc/74/25/48/388742548.db2.gz DMHBIPHRVHSTIY-ZJUUUORDSA-N 1 2 236.340 2.229 20 30 BEEDLO Cc1cc(NC[C@@H]2C[C@H]2C2CC2)c(C#N)c[nH+]1 ZINC000425269986 388701862 /nfs/dbraw/zinc/70/18/62/388701862.db2.gz RWPWUCKJVMLLEW-AAEUAGOBSA-N 1 2 227.311 2.142 20 30 BEEDLO COc1ncccc1C[N@H+](CCC#N)CC1CC1 ZINC000193368858 388702688 /nfs/dbraw/zinc/70/26/88/388702688.db2.gz GVCGXFCKITXAGT-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO COc1ncccc1C[N@@H+](CCC#N)CC1CC1 ZINC000193368858 388702690 /nfs/dbraw/zinc/70/26/90/388702690.db2.gz GVCGXFCKITXAGT-UHFFFAOYSA-N 1 2 245.326 2.216 20 30 BEEDLO Cc1cc(NCC2CC=CC2)c(C#N)c[nH+]1 ZINC000528113767 388703273 /nfs/dbraw/zinc/70/32/73/388703273.db2.gz JVESCBCLTIFZGH-UHFFFAOYSA-N 1 2 213.284 2.062 20 30 BEEDLO Cc1cc(N[C@@H]2C[C@]2(C)OC(C)C)c(C#N)c[nH+]1 ZINC000528207263 388705148 /nfs/dbraw/zinc/70/51/48/388705148.db2.gz PIPIPGDBGBSDEY-KGLIPLIRSA-N 1 2 245.326 2.052 20 30 BEEDLO Cc1ncsc1C[N@@H+](C)[C@H](C)CC#N ZINC000066565925 388719995 /nfs/dbraw/zinc/71/99/95/388719995.db2.gz PHVADPIQQRTIGA-MRVPVSSYSA-N 1 2 209.318 2.186 20 30 BEEDLO Cc1ncsc1C[N@H+](C)[C@H](C)CC#N ZINC000066565925 388719997 /nfs/dbraw/zinc/71/99/97/388719997.db2.gz PHVADPIQQRTIGA-MRVPVSSYSA-N 1 2 209.318 2.186 20 30 BEEDLO N#Cc1cc(F)ccc1COCc1[nH]cc[nH+]1 ZINC000123699065 388733595 /nfs/dbraw/zinc/73/35/95/388733595.db2.gz FOPZVCGWDQSTDT-UHFFFAOYSA-N 1 2 231.230 2.137 20 30 BEEDLO C[C@H](CCCC#N)[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001172494896 974845913 /nfs/dbraw/zinc/84/59/13/974845913.db2.gz ZJNPMVBWXAZUNT-OPRDCNLKSA-N 1 2 202.248 2.061 20 30 BEEDLO C#C[C@H](C)[NH2+]Cc1ncc(CSC)s1 ZINC000294743489 533297458 /nfs/dbraw/zinc/29/74/58/533297458.db2.gz QXKZXGNMWLTCGT-QMMMGPOBSA-N 1 2 226.370 2.117 20 30 BEEDLO Cc1cc(C[N@@H+]2CCC(=O)[C@H](C)C2)ccc1C#N ZINC000335926535 134009123 /nfs/dbraw/zinc/00/91/23/134009123.db2.gz JIZLAZZPRRHPCQ-GFCCVEGCSA-N 1 2 242.322 2.278 20 30 BEEDLO Cc1cc(C[N@H+]2CCC(=O)[C@H](C)C2)ccc1C#N ZINC000335926535 134009124 /nfs/dbraw/zinc/00/91/24/134009124.db2.gz JIZLAZZPRRHPCQ-GFCCVEGCSA-N 1 2 242.322 2.278 20 30 BEEDLO C=C(C)CC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000351992330 134031753 /nfs/dbraw/zinc/03/17/53/134031753.db2.gz CJUISMIOCMVPFY-UHFFFAOYSA-N 1 2 244.338 2.301 20 30 BEEDLO C=C(C)CC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000351992330 134031754 /nfs/dbraw/zinc/03/17/54/134031754.db2.gz CJUISMIOCMVPFY-UHFFFAOYSA-N 1 2 244.338 2.301 20 30 BEEDLO C[C@H]1C[N@H+](C[C@H](C#N)CCC#N)CCC1(F)F ZINC000352003770 134034281 /nfs/dbraw/zinc/03/42/81/134034281.db2.gz AJDSOMWKEGNEDQ-QWRGUYRKSA-N 1 2 241.285 2.407 20 30 BEEDLO C[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCC1(F)F ZINC000352003770 134034282 /nfs/dbraw/zinc/03/42/82/134034282.db2.gz AJDSOMWKEGNEDQ-QWRGUYRKSA-N 1 2 241.285 2.407 20 30 BEEDLO Cc1cccn2c(CN(C)C[C@H](C)C#N)c[nH+]c12 ZINC000352087878 134061562 /nfs/dbraw/zinc/06/15/62/134061562.db2.gz SJETWXWBGCVBJB-LLVKDONJSA-N 1 2 242.326 2.234 20 30 BEEDLO CC#CC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000336352700 134144526 /nfs/dbraw/zinc/14/45/26/134144526.db2.gz VUXGYMWLWDXDJW-CQSZACIVSA-N 1 2 215.296 2.083 20 30 BEEDLO CC#CC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000336352700 134144527 /nfs/dbraw/zinc/14/45/27/134144527.db2.gz VUXGYMWLWDXDJW-CQSZACIVSA-N 1 2 215.296 2.083 20 30 BEEDLO C=C(C)CN(C)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000302016072 134157367 /nfs/dbraw/zinc/15/73/67/134157367.db2.gz CGFVERRAFTUFEH-UHFFFAOYSA-N 1 2 249.362 2.073 20 30 BEEDLO C=C(C)CN(C)c1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000302016072 134157368 /nfs/dbraw/zinc/15/73/68/134157368.db2.gz CGFVERRAFTUFEH-UHFFFAOYSA-N 1 2 249.362 2.073 20 30 BEEDLO C=CCN(CCOC)c1[nH]c2ccccc2[nH+]1 ZINC000302653546 134157887 /nfs/dbraw/zinc/15/78/87/134157887.db2.gz CHAWWSKTBKAQBF-UHFFFAOYSA-N 1 2 231.299 2.202 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1c(F)cncc1F ZINC000353218373 134162364 /nfs/dbraw/zinc/16/23/64/134162364.db2.gz JSMFDXIANDEKMT-MRVPVSSYSA-N 1 2 237.253 2.314 20 30 BEEDLO COc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1O ZINC000354017149 134165956 /nfs/dbraw/zinc/16/59/56/134165956.db2.gz HLSCVYRKYCSJRY-UHFFFAOYSA-N 1 2 248.326 2.382 20 30 BEEDLO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1O ZINC000354017149 134165957 /nfs/dbraw/zinc/16/59/57/134165957.db2.gz HLSCVYRKYCSJRY-UHFFFAOYSA-N 1 2 248.326 2.382 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@H+](C)CC(C)(C)C#N ZINC000354036281 134166134 /nfs/dbraw/zinc/16/61/34/134166134.db2.gz GMIYNMSSPJRONV-UHFFFAOYSA-N 1 2 234.347 2.019 20 30 BEEDLO Cc1nn(C)c(C)c1C[N@@H+](C)CC(C)(C)C#N ZINC000354036281 134166135 /nfs/dbraw/zinc/16/61/35/134166135.db2.gz GMIYNMSSPJRONV-UHFFFAOYSA-N 1 2 234.347 2.019 20 30 BEEDLO CC[C@H]1C[C@H](C[N@H+](CC#N)C2CC2)CCO1 ZINC000356971815 134181156 /nfs/dbraw/zinc/18/11/56/134181156.db2.gz AQWCLEZJDJYIOY-YPMHNXCESA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@H]1C[C@H](C[N@@H+](CC#N)C2CC2)CCO1 ZINC000356971815 134181157 /nfs/dbraw/zinc/18/11/57/134181157.db2.gz AQWCLEZJDJYIOY-YPMHNXCESA-N 1 2 222.332 2.180 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC000361826978 134207804 /nfs/dbraw/zinc/20/78/04/134207804.db2.gz DYENPYSZDXCHHH-UHFFFAOYSA-N 1 2 231.274 2.433 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC000361826978 134207805 /nfs/dbraw/zinc/20/78/05/134207805.db2.gz DYENPYSZDXCHHH-UHFFFAOYSA-N 1 2 231.274 2.433 20 30 BEEDLO C=CCCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000367611843 134215678 /nfs/dbraw/zinc/21/56/78/134215678.db2.gz HBFRVTMMEKXXBY-LLVKDONJSA-N 1 2 233.315 2.430 20 30 BEEDLO CC(C)C[C@@H](C)C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369192706 134221759 /nfs/dbraw/zinc/22/17/59/134221759.db2.gz HRQNAZRVMJEROV-HIFRSBDPSA-N 1 2 249.402 2.341 20 30 BEEDLO CC(C)C[C@@H](C)C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369192706 134221760 /nfs/dbraw/zinc/22/17/60/134221760.db2.gz HRQNAZRVMJEROV-HIFRSBDPSA-N 1 2 249.402 2.341 20 30 BEEDLO C=CCCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373070614 134233536 /nfs/dbraw/zinc/23/35/36/134233536.db2.gz PBCMEQORMRGCFL-LBPRGKRZSA-N 1 2 247.342 2.092 20 30 BEEDLO C#CC[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185086421 134373407 /nfs/dbraw/zinc/37/34/07/134373407.db2.gz OHXPTXFFNCZJMD-VIFPVBQESA-N 1 2 245.257 2.160 20 30 BEEDLO C[C@H]1CC[C@H](C[N@H+](CC#N)C2CCCC2)O1 ZINC000188520493 134526919 /nfs/dbraw/zinc/52/69/19/134526919.db2.gz USQWHEBPPMQNNE-WCQYABFASA-N 1 2 222.332 2.322 20 30 BEEDLO C[C@H]1CC[C@H](C[N@@H+](CC#N)C2CCCC2)O1 ZINC000188520493 134526920 /nfs/dbraw/zinc/52/69/20/134526920.db2.gz USQWHEBPPMQNNE-WCQYABFASA-N 1 2 222.332 2.322 20 30 BEEDLO N#CCC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000363912660 134927821 /nfs/dbraw/zinc/92/78/21/134927821.db2.gz AJIIJRXQMFBXAO-UHFFFAOYSA-N 1 2 242.322 2.422 20 30 BEEDLO C[N@H+](CCCC1(C#N)CCOCC1)CC(F)F ZINC000337122773 135000044 /nfs/dbraw/zinc/00/00/44/135000044.db2.gz BOJFUDDYVRENEE-UHFFFAOYSA-N 1 2 246.301 2.284 20 30 BEEDLO C[N@@H+](CCCC1(C#N)CCOCC1)CC(F)F ZINC000337122773 135000046 /nfs/dbraw/zinc/00/00/46/135000046.db2.gz BOJFUDDYVRENEE-UHFFFAOYSA-N 1 2 246.301 2.284 20 30 BEEDLO COc1cc[nH+]c(CN(C[C@H](C)C#N)C2CC2)c1 ZINC000338353869 135035310 /nfs/dbraw/zinc/03/53/10/135035310.db2.gz OIVUHYHHMQFOLE-LLVKDONJSA-N 1 2 245.326 2.214 20 30 BEEDLO Cc1ccc(NC(=O)NCC(C)(C)C#N)c(C)[nH+]1 ZINC000336122009 135054668 /nfs/dbraw/zinc/05/46/68/135054668.db2.gz QTDXIBHRWATRDS-UHFFFAOYSA-N 1 2 246.314 2.370 20 30 BEEDLO N#CCCOCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000339154492 135062385 /nfs/dbraw/zinc/06/23/85/135062385.db2.gz HJEGVKAWMNAAGO-SNVBAGLBSA-N 1 2 232.274 2.036 20 30 BEEDLO N#CCCOCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000339154492 135062387 /nfs/dbraw/zinc/06/23/87/135062387.db2.gz HJEGVKAWMNAAGO-SNVBAGLBSA-N 1 2 232.274 2.036 20 30 BEEDLO C#CC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246626152 135083476 /nfs/dbraw/zinc/08/34/76/135083476.db2.gz VYDXYOAZTYGLEA-JQWIXIFHSA-N 1 2 221.325 2.143 20 30 BEEDLO C#CC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246626152 135083478 /nfs/dbraw/zinc/08/34/78/135083478.db2.gz VYDXYOAZTYGLEA-JQWIXIFHSA-N 1 2 221.325 2.143 20 30 BEEDLO C[C@H](c1ccccn1)[N@@H+](C)C[C@H](C)C#N ZINC000259831296 135105202 /nfs/dbraw/zinc/10/52/02/135105202.db2.gz DWPYECFUNDXNGZ-GHMZBOCLSA-N 1 2 203.289 2.234 20 30 BEEDLO C[C@H](c1ccccn1)[N@H+](C)C[C@H](C)C#N ZINC000259831296 135105204 /nfs/dbraw/zinc/10/52/04/135105204.db2.gz DWPYECFUNDXNGZ-GHMZBOCLSA-N 1 2 203.289 2.234 20 30 BEEDLO CC(=O)Nc1cccc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000263785236 135127449 /nfs/dbraw/zinc/12/74/49/135127449.db2.gz ZPXGDAABWNDUIJ-LLVKDONJSA-N 1 2 245.326 2.236 20 30 BEEDLO CC(=O)Nc1cccc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000263785236 135127450 /nfs/dbraw/zinc/12/74/50/135127450.db2.gz ZPXGDAABWNDUIJ-LLVKDONJSA-N 1 2 245.326 2.236 20 30 BEEDLO CC[N@H+](CCC#N)[C@H](C)c1ccccn1 ZINC000267336556 135153500 /nfs/dbraw/zinc/15/35/00/135153500.db2.gz BCSURVVBXHMUNJ-LLVKDONJSA-N 1 2 203.289 2.378 20 30 BEEDLO CC[N@@H+](CCC#N)[C@H](C)c1ccccn1 ZINC000267336556 135153501 /nfs/dbraw/zinc/15/35/01/135153501.db2.gz BCSURVVBXHMUNJ-LLVKDONJSA-N 1 2 203.289 2.378 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1ccccc1F ZINC000268289285 135158955 /nfs/dbraw/zinc/15/89/55/135158955.db2.gz IPBJERKGFVMHDG-GWCFXTLKSA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1ccccc1F ZINC000268289285 135158957 /nfs/dbraw/zinc/15/89/57/135158957.db2.gz IPBJERKGFVMHDG-GWCFXTLKSA-N 1 2 236.290 2.093 20 30 BEEDLO Cn1c2ccccc2[nH+]c1N1CCC(C#N)CC1 ZINC000270538460 135172207 /nfs/dbraw/zinc/17/22/07/135172207.db2.gz BBXOXYJWPLXGQL-UHFFFAOYSA-N 1 2 240.310 2.313 20 30 BEEDLO NC(COc1cccc(F)c1)=[NH+]OC1CCC1 ZINC000292845900 135178265 /nfs/dbraw/zinc/17/82/65/135178265.db2.gz VRRGXTMCEFDDJM-UHFFFAOYSA-N 1 2 238.262 2.046 20 30 BEEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccnc(N)c1 ZINC000298826924 135201200 /nfs/dbraw/zinc/20/12/00/135201200.db2.gz BNKAQGYJYLMJSE-UHFFFAOYSA-N 1 2 246.358 2.426 20 30 BEEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccnc(N)c1 ZINC000298826924 135201202 /nfs/dbraw/zinc/20/12/02/135201202.db2.gz BNKAQGYJYLMJSE-UHFFFAOYSA-N 1 2 246.358 2.426 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc(Cc2ccccc2)no1 ZINC000121540115 135224878 /nfs/dbraw/zinc/22/48/78/135224878.db2.gz KPHUGCNTGPKTPS-UHFFFAOYSA-N 1 2 243.310 2.278 20 30 BEEDLO C=CC[N@H+](C)Cc1nc(Cc2ccccc2)no1 ZINC000121540115 135224880 /nfs/dbraw/zinc/22/48/80/135224880.db2.gz KPHUGCNTGPKTPS-UHFFFAOYSA-N 1 2 243.310 2.278 20 30 BEEDLO C=CC[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC000045840902 135228084 /nfs/dbraw/zinc/22/80/84/135228084.db2.gz GYJVJCUDDZBIHZ-UHFFFAOYSA-N 1 2 233.311 2.238 20 30 BEEDLO C=CC[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC000045840902 135228085 /nfs/dbraw/zinc/22/80/85/135228085.db2.gz GYJVJCUDDZBIHZ-UHFFFAOYSA-N 1 2 233.311 2.238 20 30 BEEDLO N#CCC[N@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341916772 135244552 /nfs/dbraw/zinc/24/45/52/135244552.db2.gz PCWHSFFGQIYMKU-UHFFFAOYSA-N 1 2 244.338 2.175 20 30 BEEDLO N#CCC[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341916772 135244553 /nfs/dbraw/zinc/24/45/53/135244553.db2.gz PCWHSFFGQIYMKU-UHFFFAOYSA-N 1 2 244.338 2.175 20 30 BEEDLO C=C(C)CN(C)c1cc(NCCCC)[nH+]c(N)n1 ZINC000342939992 135338056 /nfs/dbraw/zinc/33/80/56/135338056.db2.gz RIHHNYUFTKXBEX-UHFFFAOYSA-N 1 2 249.362 2.113 20 30 BEEDLO C=C(C)CN(C)c1cc(NCCCC)nc(N)[nH+]1 ZINC000342939992 135338058 /nfs/dbraw/zinc/33/80/58/135338058.db2.gz RIHHNYUFTKXBEX-UHFFFAOYSA-N 1 2 249.362 2.113 20 30 BEEDLO CCc1cc(N)nc(SCCCCC#N)[nH+]1 ZINC000279133560 135369156 /nfs/dbraw/zinc/36/91/56/135369156.db2.gz WNRWDFGFHQZAFJ-UHFFFAOYSA-N 1 2 236.344 2.407 20 30 BEEDLO Cc1cc(N[C@H]2CCC[C@@H](F)C2)c(C#N)c[nH+]1 ZINC000335379750 136086732 /nfs/dbraw/zinc/08/67/32/136086732.db2.gz MNLWFGWPCNZUQI-NEPJUHHUSA-N 1 2 233.290 2.376 20 30 BEEDLO C[C@H]1CC[N@H+](CC2(C#N)CCC2)[C@H](C(N)=O)C1 ZINC000335586652 136102414 /nfs/dbraw/zinc/10/24/14/136102414.db2.gz RHVWZJVIWLTFKS-QWRGUYRKSA-N 1 2 235.331 2.316 20 30 BEEDLO C[C@H]1CC[N@@H+](CC2(C#N)CCC2)[C@H](C(N)=O)C1 ZINC000335586652 136102415 /nfs/dbraw/zinc/10/24/15/136102415.db2.gz RHVWZJVIWLTFKS-QWRGUYRKSA-N 1 2 235.331 2.316 20 30 BEEDLO COc1cc[nH+]c(CN(CC#N)C2CCCC2)c1 ZINC000151127073 397736868 /nfs/dbraw/zinc/73/68/68/397736868.db2.gz SGTUKHCVOFULHJ-UHFFFAOYSA-N 1 2 245.326 2.358 20 30 BEEDLO CC1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000029594182 397994195 /nfs/dbraw/zinc/99/41/95/397994195.db2.gz PKHDTDLLHJFDKS-UHFFFAOYSA-N 1 2 221.304 2.418 20 30 in-vitro BEEDLO CCc1ccc(C[NH+]2CC(CC#N)C2)o1 ZINC000597194693 398011577 /nfs/dbraw/zinc/01/15/77/398011577.db2.gz XORXEEFYRHLVGK-UHFFFAOYSA-N 1 2 204.273 2.187 20 30 BEEDLO C#C[C@@H](C)N(C)c1cc[nH+]c(C(C)C)n1 ZINC000491406915 398040251 /nfs/dbraw/zinc/04/02/51/398040251.db2.gz OZEGBCCZSQZHPX-SNVBAGLBSA-N 1 2 203.289 2.058 20 30 BEEDLO Cc1c(C[NH2+][C@H](C)CC#N)cccc1[N+](=O)[O-] ZINC000231885474 397974448 /nfs/dbraw/zinc/97/44/48/397974448.db2.gz XLBGAYNMYUTPAK-SECBINFHSA-N 1 2 233.271 2.295 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(F)ccc1O ZINC000272291454 397977418 /nfs/dbraw/zinc/97/74/18/397977418.db2.gz OGKBOIVZKZTKDP-VIFPVBQESA-N 1 2 222.263 2.123 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cn1nc(C(F)(F)F)cc1C ZINC000491800801 398074260 /nfs/dbraw/zinc/07/42/60/398074260.db2.gz ASIUPNMBBTWHHZ-MRVPVSSYSA-N 1 2 245.248 2.121 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cn1nc(C(F)(F)F)cc1C ZINC000491800801 398074262 /nfs/dbraw/zinc/07/42/62/398074262.db2.gz ASIUPNMBBTWHHZ-MRVPVSSYSA-N 1 2 245.248 2.121 20 30 BEEDLO C#CC[N@@H+](Cc1cccc(C#N)c1F)C1CC1 ZINC000491637943 398051653 /nfs/dbraw/zinc/05/16/53/398051653.db2.gz VEJHFIXLTOEYIN-UHFFFAOYSA-N 1 2 228.270 2.295 20 30 BEEDLO C#CC[N@H+](Cc1cccc(C#N)c1F)C1CC1 ZINC000491637943 398051658 /nfs/dbraw/zinc/05/16/58/398051658.db2.gz VEJHFIXLTOEYIN-UHFFFAOYSA-N 1 2 228.270 2.295 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(CC)s1)C1CC1 ZINC000491669419 398057702 /nfs/dbraw/zinc/05/77/02/398057702.db2.gz XNJJOCPCSVWMQM-UHFFFAOYSA-N 1 2 220.341 2.303 20 30 BEEDLO C#CC[N@H+](Cc1ncc(CC)s1)C1CC1 ZINC000491669419 398057707 /nfs/dbraw/zinc/05/77/07/398057707.db2.gz XNJJOCPCSVWMQM-UHFFFAOYSA-N 1 2 220.341 2.303 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCC(C)(C)C#N ZINC000292085055 398100260 /nfs/dbraw/zinc/10/02/60/398100260.db2.gz DWIVBOHQLYBATC-UHFFFAOYSA-N 1 2 205.305 2.328 20 30 BEEDLO C=CC[N@H+](CCC#N)CCC(C)(C)C#N ZINC000292085055 398100262 /nfs/dbraw/zinc/10/02/62/398100262.db2.gz DWIVBOHQLYBATC-UHFFFAOYSA-N 1 2 205.305 2.328 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000292152676 398101788 /nfs/dbraw/zinc/10/17/88/398101788.db2.gz KGQIZMLNQYWGMG-CQSZACIVSA-N 1 2 248.301 2.261 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000292152676 398101794 /nfs/dbraw/zinc/10/17/94/398101794.db2.gz KGQIZMLNQYWGMG-CQSZACIVSA-N 1 2 248.301 2.261 20 30 BEEDLO CC(C)[N@H+](Cc1cc(C#N)ccc1F)C1COC1 ZINC000295464553 398113801 /nfs/dbraw/zinc/11/38/01/398113801.db2.gz QHTNRDMPTOYCFQ-UHFFFAOYSA-N 1 2 248.301 2.307 20 30 BEEDLO CC(C)[N@@H+](Cc1cc(C#N)ccc1F)C1COC1 ZINC000295464553 398113806 /nfs/dbraw/zinc/11/38/06/398113806.db2.gz QHTNRDMPTOYCFQ-UHFFFAOYSA-N 1 2 248.301 2.307 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccncc1C ZINC000294628040 398128933 /nfs/dbraw/zinc/12/89/33/398128933.db2.gz ZXSGCIAGHSOKNS-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccncc1C ZINC000294628040 398128935 /nfs/dbraw/zinc/12/89/35/398128935.db2.gz ZXSGCIAGHSOKNS-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC#CC[N@@H+]1CCCC[C@H]1c1ncccn1 ZINC001648212226 1172812488 /nfs/dbraw/zinc/81/24/88/1172812488.db2.gz JBBCTGGGVGYFAZ-LBPRGKRZSA-N 1 2 215.300 2.027 20 30 BEEDLO CC#CC[N@H+]1CCCC[C@H]1c1ncccn1 ZINC001648212226 1172812493 /nfs/dbraw/zinc/81/24/93/1172812493.db2.gz JBBCTGGGVGYFAZ-LBPRGKRZSA-N 1 2 215.300 2.027 20 30 BEEDLO C=CC[C@@H]([NH2+]Cc1ccon1)c1ccncc1 ZINC001649805322 1172881295 /nfs/dbraw/zinc/88/12/95/1172881295.db2.gz BZZANFIHXWYJKC-CYBMUJFWSA-N 1 2 229.283 2.477 20 30 BEEDLO C=CC[C@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000680378994 487579862 /nfs/dbraw/zinc/57/98/62/487579862.db2.gz QNTQEMVMXFIQPU-SNVBAGLBSA-N 1 2 235.331 2.123 20 30 BEEDLO Cc1cc(F)c(C#N)c(-n2cc[nH+]c2)c1 ZINC001651313484 1172941523 /nfs/dbraw/zinc/94/15/23/1172941523.db2.gz OHYHMZLSKHGDPZ-UHFFFAOYSA-N 1 2 201.204 2.192 20 30 BEEDLO N#Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]2F)n1 ZINC001651400193 1172949384 /nfs/dbraw/zinc/94/93/84/1172949384.db2.gz IIEYSLHILBFXEX-VHSXEESVSA-N 1 2 239.319 2.385 20 30 BEEDLO CC(=O)c1cc(C[N@@H+]2CCC[C@H](CC#N)C2)on1 ZINC000661152719 410304024 /nfs/dbraw/zinc/30/40/24/410304024.db2.gz HCADQWQFLVBWSW-LLVKDONJSA-N 1 2 247.298 2.003 20 30 BEEDLO CC(=O)c1cc(C[N@H+]2CCC[C@H](CC#N)C2)on1 ZINC000661152719 410304029 /nfs/dbraw/zinc/30/40/29/410304029.db2.gz HCADQWQFLVBWSW-LLVKDONJSA-N 1 2 247.298 2.003 20 30 BEEDLO C=CC[N@H+](Cc1nc(C)oc1C)[C@H](C)COC ZINC000661241479 410404359 /nfs/dbraw/zinc/40/43/59/410404359.db2.gz YZGBDOAUEMEVAF-SNVBAGLBSA-N 1 2 238.331 2.314 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C)oc1C)[C@H](C)COC ZINC000661241479 410404365 /nfs/dbraw/zinc/40/43/65/410404365.db2.gz YZGBDOAUEMEVAF-SNVBAGLBSA-N 1 2 238.331 2.314 20 30 BEEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(C)ccc1C ZINC000266963144 166167914 /nfs/dbraw/zinc/16/79/14/166167914.db2.gz XMJDIHHGQZPUCR-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(C)ccc1C ZINC000266963144 166167917 /nfs/dbraw/zinc/16/79/17/166167917.db2.gz XMJDIHHGQZPUCR-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccco2)n1 ZINC000279494347 166207836 /nfs/dbraw/zinc/20/78/36/166207836.db2.gz YGMCAUGNWZUZPF-UHFFFAOYSA-N 1 2 243.310 2.131 20 30 BEEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccco2)n1 ZINC000279494347 166207838 /nfs/dbraw/zinc/20/78/38/166207838.db2.gz YGMCAUGNWZUZPF-UHFFFAOYSA-N 1 2 243.310 2.131 20 30 BEEDLO C=CCC[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000276512019 166259606 /nfs/dbraw/zinc/25/96/06/166259606.db2.gz XTUOPXPAVNOXPT-UHFFFAOYSA-N 1 2 209.293 2.201 20 30 BEEDLO C=CCC[N@H+](C)Cc1noc(C(C)C)n1 ZINC000276512019 166259609 /nfs/dbraw/zinc/25/96/09/166259609.db2.gz XTUOPXPAVNOXPT-UHFFFAOYSA-N 1 2 209.293 2.201 20 30 BEEDLO C=CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000306256491 166264904 /nfs/dbraw/zinc/26/49/04/166264904.db2.gz ODCLAQZZOWOLQC-UHFFFAOYSA-N 1 2 230.355 2.380 20 30 BEEDLO C=CC[N@@H+](Cc1occc1C(=O)OC)C1CC1 ZINC000271373755 166349543 /nfs/dbraw/zinc/34/95/43/166349543.db2.gz HIDUQIXCQMSLNA-UHFFFAOYSA-N 1 2 235.283 2.217 20 30 BEEDLO C=CC[N@H+](Cc1occc1C(=O)OC)C1CC1 ZINC000271373755 166349546 /nfs/dbraw/zinc/34/95/46/166349546.db2.gz HIDUQIXCQMSLNA-UHFFFAOYSA-N 1 2 235.283 2.217 20 30 BEEDLO C=CC[N@@H+](Cc1ccoc1C(=O)OC)C1CC1 ZINC000271362265 166349957 /nfs/dbraw/zinc/34/99/57/166349957.db2.gz FOKRPSMNDOHWMJ-UHFFFAOYSA-N 1 2 235.283 2.217 20 30 BEEDLO C=CC[N@H+](Cc1ccoc1C(=O)OC)C1CC1 ZINC000271362265 166349958 /nfs/dbraw/zinc/34/99/58/166349958.db2.gz FOKRPSMNDOHWMJ-UHFFFAOYSA-N 1 2 235.283 2.217 20 30 BEEDLO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCO[C@@H](C#N)C2)C1 ZINC000356193701 168127830 /nfs/dbraw/zinc/12/78/30/168127830.db2.gz NWQMRVZMFIULQQ-YUTCNCBUSA-N 1 2 234.343 2.203 20 30 BEEDLO CC1=C[C@H](C)C[C@@H](C[N@H+]2CCO[C@@H](C#N)C2)C1 ZINC000356193701 168127832 /nfs/dbraw/zinc/12/78/32/168127832.db2.gz NWQMRVZMFIULQQ-YUTCNCBUSA-N 1 2 234.343 2.203 20 30 BEEDLO C=C(C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000654986672 411472050 /nfs/dbraw/zinc/47/20/50/411472050.db2.gz PAKZDYUCUGWYQJ-UHFFFAOYSA-N 1 2 243.310 2.291 20 30 BEEDLO C=CCCn1cc(C[NH2+]Cc2occc2C)nn1 ZINC000657471751 411523305 /nfs/dbraw/zinc/52/33/05/411523305.db2.gz GYJOXOSMJJVJOW-UHFFFAOYSA-N 1 2 246.314 2.045 20 30 BEEDLO C=CCCn1cc(C[NH2+]Cc2ccoc2C)nn1 ZINC000657325437 411465096 /nfs/dbraw/zinc/46/50/96/411465096.db2.gz FSHKVXBZADEHQC-UHFFFAOYSA-N 1 2 246.314 2.045 20 30 BEEDLO C=CC[N@H+](Cc1nccs1)[C@H](C)COC ZINC000661242224 411743225 /nfs/dbraw/zinc/74/32/25/411743225.db2.gz LBFCYVRBRPPPEM-SNVBAGLBSA-N 1 2 226.345 2.166 20 30 BEEDLO C=CC[N@@H+](Cc1nccs1)[C@H](C)COC ZINC000661242224 411743228 /nfs/dbraw/zinc/74/32/28/411743228.db2.gz LBFCYVRBRPPPEM-SNVBAGLBSA-N 1 2 226.345 2.166 20 30 BEEDLO C=CCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000661291564 411747764 /nfs/dbraw/zinc/74/77/64/411747764.db2.gz IQZFFQDUJJUUAG-UHFFFAOYSA-N 1 2 233.315 2.074 20 30 BEEDLO C=CCCC[C@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661411278 411771187 /nfs/dbraw/zinc/77/11/87/411771187.db2.gz XTGIOEMITIRAOL-QWRGUYRKSA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCCC[C@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661411278 411771190 /nfs/dbraw/zinc/77/11/90/411771190.db2.gz XTGIOEMITIRAOL-QWRGUYRKSA-N 1 2 233.302 2.433 20 30 BEEDLO C=CC[N@@H+](Cc1nc(CC)no1)C(C)(C)C ZINC000661755394 411867281 /nfs/dbraw/zinc/86/72/81/411867281.db2.gz MCIYDHDKTUUHCD-UHFFFAOYSA-N 1 2 223.320 2.419 20 30 BEEDLO C=CC[N@H+](Cc1nc(CC)no1)C(C)(C)C ZINC000661755394 411867284 /nfs/dbraw/zinc/86/72/84/411867284.db2.gz MCIYDHDKTUUHCD-UHFFFAOYSA-N 1 2 223.320 2.419 20 30 BEEDLO C=CCOCCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000664384750 411937054 /nfs/dbraw/zinc/93/70/54/411937054.db2.gz DPUPACZCLGRIBU-UHFFFAOYSA-N 1 2 246.314 2.223 20 30 BEEDLO C=CC[N@@H+](Cc1ncnn1CCC)C(C)(C)C ZINC000661760499 411870897 /nfs/dbraw/zinc/87/08/97/411870897.db2.gz WIFCMQYXAHKLCC-UHFFFAOYSA-N 1 2 236.363 2.475 20 30 BEEDLO C=CC[N@H+](Cc1ncnn1CCC)C(C)(C)C ZINC000661760499 411870900 /nfs/dbraw/zinc/87/09/00/411870900.db2.gz WIFCMQYXAHKLCC-UHFFFAOYSA-N 1 2 236.363 2.475 20 30 BEEDLO C=C[C@H](CO)[NH2+]Cc1ncc(Cl)cc1Cl ZINC000662168408 412016775 /nfs/dbraw/zinc/01/67/75/412016775.db2.gz FFKLSRKWRMHTQH-MRVPVSSYSA-N 1 2 247.125 2.025 20 30 BEEDLO CC[C@H](C)[NH2+]C1(C#N)Cc2ccccc2C1 ZINC000038064511 171339202 /nfs/dbraw/zinc/33/92/02/171339202.db2.gz VXYZVHQGMWZLJS-NSHDSACASA-N 1 2 214.312 2.436 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662372757 412130090 /nfs/dbraw/zinc/13/00/90/412130090.db2.gz XMYUIGQZYNZZKL-JQWIXIFHSA-N 1 2 231.286 2.144 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662372757 412130092 /nfs/dbraw/zinc/13/00/92/412130092.db2.gz XMYUIGQZYNZZKL-JQWIXIFHSA-N 1 2 231.286 2.144 20 30 BEEDLO CCc1cn(Cc2ccc(C#N)s2)c[nH+]1 ZINC001652205429 1173045678 /nfs/dbraw/zinc/04/56/78/1173045678.db2.gz FMKDOYPWRHNNEH-UHFFFAOYSA-N 1 2 217.297 2.427 20 30 BEEDLO COCC[N@H+](CCC#N)Cc1cccc(C)c1 ZINC000070142979 174289278 /nfs/dbraw/zinc/28/92/78/174289278.db2.gz HXXCBLCYJQVLBK-UHFFFAOYSA-N 1 2 232.327 2.357 20 30 BEEDLO COCC[N@@H+](CCC#N)Cc1cccc(C)c1 ZINC000070142979 174289280 /nfs/dbraw/zinc/28/92/80/174289280.db2.gz HXXCBLCYJQVLBK-UHFFFAOYSA-N 1 2 232.327 2.357 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1OC ZINC000049836447 175096328 /nfs/dbraw/zinc/09/63/28/175096328.db2.gz KELVCSORBHDDIP-NSHDSACASA-N 1 2 248.326 2.438 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1OC ZINC000049836447 175096330 /nfs/dbraw/zinc/09/63/30/175096330.db2.gz KELVCSORBHDDIP-NSHDSACASA-N 1 2 248.326 2.438 20 30 BEEDLO COc1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC000042207274 175325006 /nfs/dbraw/zinc/32/50/06/175325006.db2.gz PSECASKRRJTOGH-LLVKDONJSA-N 1 2 218.300 2.287 20 30 BEEDLO COc1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC000042207274 175325008 /nfs/dbraw/zinc/32/50/08/175325008.db2.gz PSECASKRRJTOGH-LLVKDONJSA-N 1 2 218.300 2.287 20 30 BEEDLO C[C@@H]1COCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000267430213 176335684 /nfs/dbraw/zinc/33/56/84/176335684.db2.gz WMEQLOLVRCGBQI-GFCCVEGCSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@@H]1COCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000267430213 176335687 /nfs/dbraw/zinc/33/56/87/176335687.db2.gz WMEQLOLVRCGBQI-GFCCVEGCSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)[C@@H](C)CO1 ZINC000223517422 177301396 /nfs/dbraw/zinc/30/13/96/177301396.db2.gz RGUIVUBEARWDGN-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)[C@@H](C)CO1 ZINC000223517422 177301398 /nfs/dbraw/zinc/30/13/98/177301398.db2.gz RGUIVUBEARWDGN-WDEREUQCSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1C[C@@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000488342426 225381962 /nfs/dbraw/zinc/38/19/62/225381962.db2.gz XCUZSWKXRRLGGF-QWHCGFSZSA-N 1 2 229.327 2.453 20 30 BEEDLO C[C@H]1C[C@@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000488342426 225381966 /nfs/dbraw/zinc/38/19/66/225381966.db2.gz XCUZSWKXRRLGGF-QWHCGFSZSA-N 1 2 229.327 2.453 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)C/C=C/c1ccncc1 ZINC000495176161 226277769 /nfs/dbraw/zinc/27/77/69/226277769.db2.gz RRDPUIZAYBJVBO-AAOUONPWSA-N 1 2 215.300 2.186 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)C/C=C/c1ccncc1 ZINC000495176161 226277770 /nfs/dbraw/zinc/27/77/70/226277770.db2.gz RRDPUIZAYBJVBO-AAOUONPWSA-N 1 2 215.300 2.186 20 30 BEEDLO CC#CCC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000680884703 487668846 /nfs/dbraw/zinc/66/88/46/487668846.db2.gz PBVVSHCMCUXMSB-VHSXEESVSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CCC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000680884703 487668851 /nfs/dbraw/zinc/66/88/51/487668851.db2.gz PBVVSHCMCUXMSB-VHSXEESVSA-N 1 2 235.249 2.051 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000839621500 585332284 /nfs/dbraw/zinc/33/22/84/585332284.db2.gz AOUAEQLWJRSOSG-NSHDSACASA-N 1 2 215.724 2.240 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000839621500 585332285 /nfs/dbraw/zinc/33/22/85/585332285.db2.gz AOUAEQLWJRSOSG-NSHDSACASA-N 1 2 215.724 2.240 20 30 BEEDLO C=CCC[C@@H]([NH2+]Cc1cn(C)nn1)c1ccco1 ZINC000671760274 487828729 /nfs/dbraw/zinc/82/87/29/487828729.db2.gz POWDIKIYHIVPAK-GFCCVEGCSA-N 1 2 246.314 2.205 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000682362802 487939351 /nfs/dbraw/zinc/93/93/51/487939351.db2.gz UCDITACKOCXHPR-AWEZNQCLSA-N 1 2 247.342 2.136 20 30 BEEDLO N#CCC[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000566557415 323005125 /nfs/dbraw/zinc/00/51/25/323005125.db2.gz ZDXXGOPHLVJQCX-UHFFFAOYSA-N 1 2 245.326 2.406 20 30 BEEDLO COc1ccc[nH+]c1NCc1nc(C#N)cs1 ZINC000562071792 323011653 /nfs/dbraw/zinc/01/16/53/323011653.db2.gz RYGHCLANCMRYBX-UHFFFAOYSA-N 1 2 246.295 2.030 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(Cl)cn1 ZINC000562263942 323014222 /nfs/dbraw/zinc/01/42/22/323014222.db2.gz QBYJXSLMEGFFBL-SECBINFHSA-N 1 2 223.707 2.469 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000562263942 323014223 /nfs/dbraw/zinc/01/42/23/323014223.db2.gz QBYJXSLMEGFFBL-SECBINFHSA-N 1 2 223.707 2.469 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000562627233 323025832 /nfs/dbraw/zinc/02/58/32/323025832.db2.gz YIPAXVDMPUWQJW-GFCCVEGCSA-N 1 2 240.310 2.122 20 30 BEEDLO N#CCC[NH2+]Cc1cccnc1OC1CCCC1 ZINC000570156059 323051188 /nfs/dbraw/zinc/05/11/88/323051188.db2.gz WCIXIPBRSYRJFW-UHFFFAOYSA-N 1 2 245.326 2.406 20 30 BEEDLO N#Cc1ncccc1SCCCn1cc[nH+]c1 ZINC000572780938 323069516 /nfs/dbraw/zinc/06/95/16/323069516.db2.gz ZCMAAYMWEKHHHO-UHFFFAOYSA-N 1 2 244.323 2.332 20 30 BEEDLO Cc1ncsc1C[N@H+](C)[C@@H](C)CC#N ZINC000066565924 323100625 /nfs/dbraw/zinc/10/06/25/323100625.db2.gz PHVADPIQQRTIGA-QMMMGPOBSA-N 1 2 209.318 2.186 20 30 BEEDLO Cc1ncsc1C[N@@H+](C)[C@@H](C)CC#N ZINC000066565924 323100624 /nfs/dbraw/zinc/10/06/24/323100624.db2.gz PHVADPIQQRTIGA-QMMMGPOBSA-N 1 2 209.318 2.186 20 30 BEEDLO C=C(C)C[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000309975779 323122818 /nfs/dbraw/zinc/12/28/18/323122818.db2.gz SOCVPXBJWJMXIB-LBPRGKRZSA-N 1 2 225.332 2.274 20 30 BEEDLO C=CC[C@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000535059269 323164962 /nfs/dbraw/zinc/16/49/62/323164962.db2.gz BYHRVFOOPDWPOS-JTQLQIEISA-N 1 2 233.315 2.206 20 30 BEEDLO C[N@@H+](CCC#N)CCOc1ccccc1F ZINC000052815566 323195493 /nfs/dbraw/zinc/19/54/93/323195493.db2.gz LQTNZINAMQNDRJ-UHFFFAOYSA-N 1 2 222.263 2.050 20 30 BEEDLO C[N@H+](CCC#N)CCOc1ccccc1F ZINC000052815566 323195494 /nfs/dbraw/zinc/19/54/94/323195494.db2.gz LQTNZINAMQNDRJ-UHFFFAOYSA-N 1 2 222.263 2.050 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000536641610 323199460 /nfs/dbraw/zinc/19/94/60/323199460.db2.gz DCMOKKBCHMWVEV-SNVBAGLBSA-N 1 2 228.299 2.154 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000536641610 323199461 /nfs/dbraw/zinc/19/94/61/323199461.db2.gz DCMOKKBCHMWVEV-SNVBAGLBSA-N 1 2 228.299 2.154 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000536641610 323199462 /nfs/dbraw/zinc/19/94/62/323199462.db2.gz DCMOKKBCHMWVEV-SNVBAGLBSA-N 1 2 228.299 2.154 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000536641610 323199463 /nfs/dbraw/zinc/19/94/63/323199463.db2.gz DCMOKKBCHMWVEV-SNVBAGLBSA-N 1 2 228.299 2.154 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000536641609 323199503 /nfs/dbraw/zinc/19/95/03/323199503.db2.gz DCMOKKBCHMWVEV-JTQLQIEISA-N 1 2 228.299 2.154 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000536641609 323199504 /nfs/dbraw/zinc/19/95/04/323199504.db2.gz DCMOKKBCHMWVEV-JTQLQIEISA-N 1 2 228.299 2.154 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000536641609 323199505 /nfs/dbraw/zinc/19/95/05/323199505.db2.gz DCMOKKBCHMWVEV-JTQLQIEISA-N 1 2 228.299 2.154 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2nc[nH]c2c1 ZINC000536641609 323199506 /nfs/dbraw/zinc/19/95/06/323199506.db2.gz DCMOKKBCHMWVEV-JTQLQIEISA-N 1 2 228.299 2.154 20 30 BEEDLO CCSc1cc(C[NH2+]CCC#N)ccn1 ZINC000572276863 323584441 /nfs/dbraw/zinc/58/44/41/323584441.db2.gz POCHLJIYPSEAJH-UHFFFAOYSA-N 1 2 221.329 2.197 20 30 BEEDLO Cc1cc(NC(=O)C2(C#N)CC(C)C2)cc[nH+]1 ZINC000122376217 324042595 /nfs/dbraw/zinc/04/25/95/324042595.db2.gz SZUBLXCEFCCPCJ-UHFFFAOYSA-N 1 2 229.283 2.268 20 30 BEEDLO CCN(CCC#N)Cc1c[nH+]c2c(C)cccn12 ZINC000127645017 324780008 /nfs/dbraw/zinc/78/00/08/324780008.db2.gz VHQORXJGHMZJOE-UHFFFAOYSA-N 1 2 242.326 2.378 20 30 BEEDLO C=CC[N@@H+](C)CN1CC(CC)(CC)OC1=O ZINC000154969646 326170408 /nfs/dbraw/zinc/17/04/08/326170408.db2.gz XXFCEZYOWODQTQ-UHFFFAOYSA-N 1 2 226.320 2.073 20 30 BEEDLO C=CC[N@H+](C)CN1CC(CC)(CC)OC1=O ZINC000154969646 326170411 /nfs/dbraw/zinc/17/04/11/326170411.db2.gz XXFCEZYOWODQTQ-UHFFFAOYSA-N 1 2 226.320 2.073 20 30 BEEDLO CCC#C[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000677130329 487978227 /nfs/dbraw/zinc/97/82/27/487978227.db2.gz AJEIXMGFHOPRFW-SECBINFHSA-N 1 2 246.339 2.257 20 30 BEEDLO C=CC[N@@H+](CC#CCOC)Cc1ccccc1F ZINC000677133030 487979108 /nfs/dbraw/zinc/97/91/08/487979108.db2.gz DGNYNSXTFNESCU-UHFFFAOYSA-N 1 2 247.313 2.464 20 30 BEEDLO C=CC[N@H+](CC#CCOC)Cc1ccccc1F ZINC000677133030 487979111 /nfs/dbraw/zinc/97/91/11/487979111.db2.gz DGNYNSXTFNESCU-UHFFFAOYSA-N 1 2 247.313 2.464 20 30 BEEDLO C[C@H]([NH2+]CC(F)F)c1cccc(C#N)c1 ZINC000147396287 488013198 /nfs/dbraw/zinc/01/31/98/488013198.db2.gz CNWBNNDMYILWHX-QMMMGPOBSA-N 1 2 210.227 2.474 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cn(C2CCC2)nn1 ZINC000667472909 488018875 /nfs/dbraw/zinc/01/88/75/488018875.db2.gz VLDKSYQCBVZVSB-UHFFFAOYSA-N 1 2 232.331 2.177 20 30 BEEDLO CN(Cc1[nH+]ccn1C)c1ccc(C#N)cc1F ZINC000062255543 488067392 /nfs/dbraw/zinc/06/73/92/488067392.db2.gz MXVVMPWLHJGLGB-UHFFFAOYSA-N 1 2 244.273 2.067 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000168896036 487550456 /nfs/dbraw/zinc/55/04/56/487550456.db2.gz ADHVOCWYHRBSMV-LBPRGKRZSA-N 1 2 242.322 2.278 20 30 BEEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000168896036 487550460 /nfs/dbraw/zinc/55/04/60/487550460.db2.gz ADHVOCWYHRBSMV-LBPRGKRZSA-N 1 2 242.322 2.278 20 30 BEEDLO CC#CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000265970348 487500533 /nfs/dbraw/zinc/50/05/33/487500533.db2.gz BAJLRRMEBGQOCH-AWEZNQCLSA-N 1 2 215.296 2.083 20 30 BEEDLO CC#CC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000265970348 487500540 /nfs/dbraw/zinc/50/05/40/487500540.db2.gz BAJLRRMEBGQOCH-AWEZNQCLSA-N 1 2 215.296 2.083 20 30 BEEDLO C=CC[N@@H+](C)Cc1c(C(F)(F)F)cnn1C ZINC000668010999 488184611 /nfs/dbraw/zinc/18/46/11/488184611.db2.gz PSQFPFINCORRCM-UHFFFAOYSA-N 1 2 233.237 2.057 20 30 BEEDLO C=CC[N@H+](C)Cc1c(C(F)(F)F)cnn1C ZINC000668010999 488184618 /nfs/dbraw/zinc/18/46/18/488184618.db2.gz PSQFPFINCORRCM-UHFFFAOYSA-N 1 2 233.237 2.057 20 30 BEEDLO C=C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC000683787979 488221865 /nfs/dbraw/zinc/22/18/65/488221865.db2.gz BGHVADZOYQMZMN-CYBMUJFWSA-N 1 2 247.342 2.230 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC000683787980 488222327 /nfs/dbraw/zinc/22/23/27/488222327.db2.gz BGHVADZOYQMZMN-ZDUSSCGKSA-N 1 2 247.342 2.230 20 30 BEEDLO CN(CC#Cc1ccc(F)cc1)Cc1[nH]cc[nH+]1 ZINC000683896332 488238798 /nfs/dbraw/zinc/23/87/98/488238798.db2.gz VHCDBCLTCKTIHJ-UHFFFAOYSA-N 1 2 243.285 2.032 20 30 BEEDLO C=C(C)CN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000679233237 488322842 /nfs/dbraw/zinc/32/28/42/488322842.db2.gz FRBGESBQBXAFHD-UHFFFAOYSA-N 1 2 244.298 2.374 20 30 BEEDLO C=CCOCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000679471350 488353135 /nfs/dbraw/zinc/35/31/35/488353135.db2.gz GAVQEPMXGUGETQ-UHFFFAOYSA-N 1 2 235.331 2.389 20 30 BEEDLO C=CCOCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000679564786 488358312 /nfs/dbraw/zinc/35/83/12/488358312.db2.gz DPOMUUPNJBVIFF-UHFFFAOYSA-N 1 2 249.314 2.023 20 30 BEEDLO CC[C@H](CC#N)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845528648 582613613 /nfs/dbraw/zinc/61/36/13/582613613.db2.gz KHDKNULTIXKFJT-WDEREUQCSA-N 1 2 235.287 2.070 20 30 BEEDLO CC[N@H+](CCC#N)C[C@H]1C[C@]1(C)Br ZINC000891578987 582698988 /nfs/dbraw/zinc/69/89/88/582698988.db2.gz RXUDFDRQHQMONW-ZJUUUORDSA-N 1 2 245.164 2.395 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@H]1C[C@]1(C)Br ZINC000891578987 582698989 /nfs/dbraw/zinc/69/89/89/582698989.db2.gz RXUDFDRQHQMONW-ZJUUUORDSA-N 1 2 245.164 2.395 20 30 BEEDLO CC[C@H]1COCC[N@@H+]1Cc1csc(C#N)c1 ZINC000891716121 582712775 /nfs/dbraw/zinc/71/27/75/582712775.db2.gz LWSQGKVNDUGVGN-NSHDSACASA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@H]1COCC[N@H+]1Cc1csc(C#N)c1 ZINC000891716121 582712777 /nfs/dbraw/zinc/71/27/77/582712777.db2.gz LWSQGKVNDUGVGN-NSHDSACASA-N 1 2 236.340 2.231 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000054183900 536057823 /nfs/dbraw/zinc/05/78/23/536057823.db2.gz IRELZKHBTLGEHY-SECBINFHSA-N 1 2 239.300 2.438 20 30 BEEDLO C=C1CC[NH+](Cc2nccn2C2CC2)CC1 ZINC000891943261 582741625 /nfs/dbraw/zinc/74/16/25/582741625.db2.gz PFPOENDDSBCEQP-UHFFFAOYSA-N 1 2 217.316 2.370 20 30 BEEDLO CCc1ccc(C[N@H+](CC)CCC#N)nc1 ZINC000339011566 536173079 /nfs/dbraw/zinc/17/30/79/536173079.db2.gz QCVGXCUIEKNYQH-UHFFFAOYSA-N 1 2 217.316 2.380 20 30 BEEDLO CCc1ccc(C[N@@H+](CC)CCC#N)nc1 ZINC000339011566 536173082 /nfs/dbraw/zinc/17/30/82/536173082.db2.gz QCVGXCUIEKNYQH-UHFFFAOYSA-N 1 2 217.316 2.380 20 30 BEEDLO C=C(C)[C@H]1OCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC000280844121 534368900 /nfs/dbraw/zinc/36/89/00/534368900.db2.gz XQCJMXHNMXKGIB-WCQYABFASA-N 1 2 233.315 2.178 20 30 BEEDLO C=C(CC)C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360626389 534390577 /nfs/dbraw/zinc/39/05/77/534390577.db2.gz GELFCFUODRNDAT-UHFFFAOYSA-N 1 2 244.338 2.301 20 30 BEEDLO C=C(CC)C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360626389 534390585 /nfs/dbraw/zinc/39/05/85/534390585.db2.gz GELFCFUODRNDAT-UHFFFAOYSA-N 1 2 244.338 2.301 20 30 BEEDLO C=C(CC)CSc1[nH+]cnc2c1cnn2C ZINC000358557359 534423166 /nfs/dbraw/zinc/42/31/66/534423166.db2.gz IKTNHYIQBNTUGC-UHFFFAOYSA-N 1 2 234.328 2.422 20 30 BEEDLO C=C(CNc1cc(C)[nH+]cn1)c1ccccc1 ZINC000340984922 534427484 /nfs/dbraw/zinc/42/74/84/534427484.db2.gz XWYPOUOQKYINCE-UHFFFAOYSA-N 1 2 225.295 2.332 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373795928 534442886 /nfs/dbraw/zinc/44/28/86/534442886.db2.gz GUXMJNNRNKOLHL-VXGBXAGGSA-N 1 2 245.750 2.009 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373795928 534442897 /nfs/dbraw/zinc/44/28/97/534442897.db2.gz GUXMJNNRNKOLHL-VXGBXAGGSA-N 1 2 245.750 2.009 20 30 BEEDLO C=CC(C)(C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000336304792 534503807 /nfs/dbraw/zinc/50/38/07/534503807.db2.gz DACNXIRPPBIPCQ-UHFFFAOYSA-N 1 2 233.315 2.370 20 30 BEEDLO C=CCCC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000355832386 534628906 /nfs/dbraw/zinc/62/89/06/534628906.db2.gz RUYJYJBQLNAQRT-UHFFFAOYSA-N 1 2 233.315 2.115 20 30 BEEDLO C=CCOc1ccc(C[NH+]2CC(C)(OC)C2)cc1 ZINC000362309486 534882281 /nfs/dbraw/zinc/88/22/81/534882281.db2.gz QMYIUGOAGRWWMV-UHFFFAOYSA-N 1 2 247.338 2.472 20 30 BEEDLO CCC[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000336549374 534914453 /nfs/dbraw/zinc/91/44/53/534914453.db2.gz OSGRFGYNMRBJRF-CHWSQXEVSA-N 1 2 222.332 2.324 20 30 BEEDLO CCC[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000336549374 534914456 /nfs/dbraw/zinc/91/44/56/534914456.db2.gz OSGRFGYNMRBJRF-CHWSQXEVSA-N 1 2 222.332 2.324 20 30 BEEDLO CC#CCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494220346 526311338 /nfs/dbraw/zinc/31/13/38/526311338.db2.gz POYGIOLCTNZXDS-JTQLQIEISA-N 1 2 201.260 2.377 20 30 BEEDLO CC#CCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494220346 526311341 /nfs/dbraw/zinc/31/13/41/526311341.db2.gz POYGIOLCTNZXDS-JTQLQIEISA-N 1 2 201.260 2.377 20 30 BEEDLO C#CCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892526215 582906399 /nfs/dbraw/zinc/90/63/99/582906399.db2.gz DFADKWFTVWZGHD-UHFFFAOYSA-N 1 2 215.300 2.488 20 30 BEEDLO C=CCCCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000492592469 527139106 /nfs/dbraw/zinc/13/91/06/527139106.db2.gz IEMRIEYYCBFWOP-CMDGGOBGSA-N 1 2 247.342 2.389 20 30 BEEDLO C#C[C@H]([NH2+]Cc1nn(C)c(C)c1Cl)C(C)C ZINC000491384275 527411064 /nfs/dbraw/zinc/41/10/64/527411064.db2.gz OHHFCCCBMGTUTN-JTQLQIEISA-N 1 2 239.750 2.129 20 30 BEEDLO C=CCC[C@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494285956 527493474 /nfs/dbraw/zinc/49/34/74/527493474.db2.gz VGIHKSHNVWQBJR-QWRGUYRKSA-N 1 2 233.302 2.291 20 30 BEEDLO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494285956 527493476 /nfs/dbraw/zinc/49/34/76/527493476.db2.gz VGIHKSHNVWQBJR-QWRGUYRKSA-N 1 2 233.302 2.291 20 30 BEEDLO CC[N@@H+](Cc1scnc1C)C[C@H](C)C#N ZINC000091984003 535399835 /nfs/dbraw/zinc/39/98/35/535399835.db2.gz RXENUFQUBXUZFF-SECBINFHSA-N 1 2 223.345 2.433 20 30 BEEDLO CC[N@H+](Cc1scnc1C)C[C@H](C)C#N ZINC000091984003 535399839 /nfs/dbraw/zinc/39/98/39/535399839.db2.gz RXENUFQUBXUZFF-SECBINFHSA-N 1 2 223.345 2.433 20 30 BEEDLO CCc1c[nH+]ccc1NC(=O)C(C)(C)C#N ZINC000265213944 536089575 /nfs/dbraw/zinc/08/95/75/536089575.db2.gz MGAWCKQKJOEJNZ-UHFFFAOYSA-N 1 2 217.272 2.132 20 30 BEEDLO CCc1cc(N)nc(S[C@H]2CC[C@@H](C#N)C2)[nH+]1 ZINC000295314074 536143495 /nfs/dbraw/zinc/14/34/95/536143495.db2.gz LBPSYUPWGYLPLN-SCZZXKLOSA-N 1 2 248.355 2.406 20 30 BEEDLO CCc1cc(N)nc(S[C@@H]2CC[C@@H](C#N)C2)[nH+]1 ZINC000295314071 536143739 /nfs/dbraw/zinc/14/37/39/536143739.db2.gz LBPSYUPWGYLPLN-PSASIEDQSA-N 1 2 248.355 2.406 20 30 BEEDLO COc1ccc(F)cc1[C@H](C)[NH2+]CCC#N ZINC000299722368 536638477 /nfs/dbraw/zinc/63/84/77/536638477.db2.gz SRGOFYUARHRBHV-VIFPVBQESA-N 1 2 222.263 2.399 20 30 BEEDLO C#C[C@H](C)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893252191 583078588 /nfs/dbraw/zinc/07/85/88/583078588.db2.gz YALYDYYCJCMOTE-VIFPVBQESA-N 1 2 215.300 2.486 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1ccnc(OC)c1F ZINC000893350517 583118543 /nfs/dbraw/zinc/11/85/43/583118543.db2.gz IRIWFNSKBVGCHD-UHFFFAOYSA-N 1 2 230.670 2.071 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1NCCC#C ZINC000853331482 588733806 /nfs/dbraw/zinc/73/38/06/588733806.db2.gz UWGPPGZAVOHELH-UHFFFAOYSA-N 1 2 228.295 2.309 20 30 BEEDLO CCC(CC)CNN=Cc1c[nH+]c(C)n1C ZINC000853334872 588734560 /nfs/dbraw/zinc/73/45/60/588734560.db2.gz DRWBWWDZCGJYIM-UHFFFAOYSA-N 1 2 222.336 2.088 20 30 BEEDLO CC(=NN1CCCC[C@H]1C)c1cn(C)c(C)[nH+]1 ZINC000853381390 588739584 /nfs/dbraw/zinc/73/95/84/588739584.db2.gz BXAULSJRESUHRK-SNVBAGLBSA-N 1 2 234.347 2.327 20 30 BEEDLO C=C(Cl)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000853674198 588754860 /nfs/dbraw/zinc/75/48/60/588754860.db2.gz AEXBTWZIGKHMCB-SECBINFHSA-N 1 2 234.727 2.298 20 30 BEEDLO C=C(Cl)CSCCn1cc[nH+]c1 ZINC000853783757 588763082 /nfs/dbraw/zinc/76/30/82/588763082.db2.gz QMFLTNPBVLARFJ-UHFFFAOYSA-N 1 2 202.710 2.369 20 30 BEEDLO C=CCCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000854452441 588787316 /nfs/dbraw/zinc/78/73/16/588787316.db2.gz XTZPLKUZPLDDKW-UHFFFAOYSA-N 1 2 235.331 2.205 20 30 BEEDLO C=CCCCN(CC)C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000890810493 582572140 /nfs/dbraw/zinc/57/21/40/582572140.db2.gz WZKHWVVCYJTQOP-HJWRWDBZSA-N 1 2 247.342 2.248 20 30 BEEDLO C=CCCCN(CC)C(=O)CCc1c[nH+]c[nH]1 ZINC000890812452 582573757 /nfs/dbraw/zinc/57/37/57/582573757.db2.gz KWPYURYQRRBKHQ-UHFFFAOYSA-N 1 2 235.331 2.157 20 30 BEEDLO C=CCCCN(CC)C(=O)CCc1c[nH]c[nH+]1 ZINC000890812452 582573758 /nfs/dbraw/zinc/57/37/58/582573758.db2.gz KWPYURYQRRBKHQ-UHFFFAOYSA-N 1 2 235.331 2.157 20 30 BEEDLO C=CC[NH+](CC=C)Cc1ccnc(OC)c1F ZINC000891449094 582688438 /nfs/dbraw/zinc/68/84/38/582688438.db2.gz JRISNICEQKGBPV-UHFFFAOYSA-N 1 2 236.290 2.403 20 30 BEEDLO CC[N@@H+](Cc1cnn(C)c1C1CC1)C[C@@H](C)C#N ZINC000891716344 582713095 /nfs/dbraw/zinc/71/30/95/582713095.db2.gz OSSGJEGPCBGLNX-NSHDSACASA-N 1 2 246.358 2.279 20 30 BEEDLO CC[N@H+](Cc1cnn(C)c1C1CC1)C[C@@H](C)C#N ZINC000891716344 582713096 /nfs/dbraw/zinc/71/30/96/582713096.db2.gz OSSGJEGPCBGLNX-NSHDSACASA-N 1 2 246.358 2.279 20 30 BEEDLO C=C1CCC(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000893044749 583036345 /nfs/dbraw/zinc/03/63/45/583036345.db2.gz MKHVYZDOXXQMBS-NSHDSACASA-N 1 2 247.342 2.344 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000893543521 583159390 /nfs/dbraw/zinc/15/93/90/583159390.db2.gz DNAHAKOWJJJWRZ-NSHDSACASA-N 1 2 246.358 2.327 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)o1 ZINC000893604959 583171576 /nfs/dbraw/zinc/17/15/76/583171576.db2.gz BIZSSOSGBGRYCG-SECBINFHSA-N 1 2 208.261 2.070 20 30 BEEDLO CN(C)c1cc(NCC(C)(C)CCC#N)[nH+]cn1 ZINC000893866609 583234137 /nfs/dbraw/zinc/23/41/37/583234137.db2.gz JVSDQUOVKGZWCO-UHFFFAOYSA-N 1 2 247.346 2.284 20 30 BEEDLO CN(C)c1cc(NCC(C)(C)CCC#N)nc[nH+]1 ZINC000893866609 583234138 /nfs/dbraw/zinc/23/41/38/583234138.db2.gz JVSDQUOVKGZWCO-UHFFFAOYSA-N 1 2 247.346 2.284 20 30 BEEDLO CC[N@@H+](Cc1[nH]nc(C)c1C)C[C@@H](C)C#N ZINC000893994545 583268286 /nfs/dbraw/zinc/26/82/86/583268286.db2.gz HXADUIKGCWRJPD-VIFPVBQESA-N 1 2 220.320 2.008 20 30 BEEDLO CC[N@H+](Cc1[nH]nc(C)c1C)C[C@@H](C)C#N ZINC000893994545 583268287 /nfs/dbraw/zinc/26/82/87/583268287.db2.gz HXADUIKGCWRJPD-VIFPVBQESA-N 1 2 220.320 2.008 20 30 BEEDLO CC(C)c1c[nH]c(CN2CCC(C#N)CC2)[nH+]1 ZINC000893983649 583268920 /nfs/dbraw/zinc/26/89/20/583268920.db2.gz DTGRHXZWDKNCJO-UHFFFAOYSA-N 1 2 232.331 2.269 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894002569 583272501 /nfs/dbraw/zinc/27/25/01/583272501.db2.gz RYFVWKGNOQVQGC-SECBINFHSA-N 1 2 244.298 2.002 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894002569 583272505 /nfs/dbraw/zinc/27/25/05/583272505.db2.gz RYFVWKGNOQVQGC-SECBINFHSA-N 1 2 244.298 2.002 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894002570 583272687 /nfs/dbraw/zinc/27/26/87/583272687.db2.gz RYFVWKGNOQVQGC-VIFPVBQESA-N 1 2 244.298 2.002 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894002570 583272689 /nfs/dbraw/zinc/27/26/89/583272689.db2.gz RYFVWKGNOQVQGC-VIFPVBQESA-N 1 2 244.298 2.002 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000894060424 583293038 /nfs/dbraw/zinc/29/30/38/583293038.db2.gz RNLNOYDHZKZCHB-JTQLQIEISA-N 1 2 220.316 2.426 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(C(C)(C)C)co1 ZINC000894060424 583293040 /nfs/dbraw/zinc/29/30/40/583293040.db2.gz RNLNOYDHZKZCHB-JTQLQIEISA-N 1 2 220.316 2.426 20 30 BEEDLO CC(C)Cc1ccc(C[NH2+]CCC#N)cn1 ZINC000894081967 583294563 /nfs/dbraw/zinc/29/45/63/583294563.db2.gz LPYSYONDWZNHSI-UHFFFAOYSA-N 1 2 217.316 2.283 20 30 BEEDLO CCc1[nH]nc(Cl)c1C[NH2+]CC1(C#N)CC1 ZINC000894205979 583344765 /nfs/dbraw/zinc/34/47/65/583344765.db2.gz ZXMZGVKVBHDNGG-UHFFFAOYSA-N 1 2 238.722 2.019 20 30 BEEDLO C=CCCC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000726505304 583357666 /nfs/dbraw/zinc/35/76/66/583357666.db2.gz XGBXAJBUIQBZLH-UHFFFAOYSA-N 1 2 248.326 2.289 20 30 BEEDLO C#CC[C@@H]1CCCN(c2cccc([C@@H](C)O)[nH+]2)C1 ZINC000894348633 583432458 /nfs/dbraw/zinc/43/24/58/583432458.db2.gz DPTRRBORDVCRFG-CHWSQXEVSA-N 1 2 244.338 2.375 20 30 BEEDLO Cc1n[nH]c(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1C ZINC000894443386 583460301 /nfs/dbraw/zinc/46/03/01/583460301.db2.gz GFUQHDLFUDTDQU-ZDUSSCGKSA-N 1 2 232.331 2.152 20 30 BEEDLO Cc1n[nH]c(C[N@H+]2CCC[C@@](C)(C#N)C2)c1C ZINC000894443386 583460303 /nfs/dbraw/zinc/46/03/03/583460303.db2.gz GFUQHDLFUDTDQU-ZDUSSCGKSA-N 1 2 232.331 2.152 20 30 BEEDLO C#CC[C@@H](COC)Nc1cc(CC)[nH+]c(CC)n1 ZINC000894831147 583527721 /nfs/dbraw/zinc/52/77/21/583527721.db2.gz ZVJONPNYNDEJGP-LBPRGKRZSA-N 1 2 247.342 2.052 20 30 BEEDLO CCc1onc(C)c1C[NH2+]CC1(C#N)CCC1 ZINC000894965009 583560146 /nfs/dbraw/zinc/56/01/46/583560146.db2.gz ACBISONBCHZQON-UHFFFAOYSA-N 1 2 233.315 2.329 20 30 BEEDLO N#CC[C@H]1CCC[N@H+](Cc2nccn2C2CC2)C1 ZINC000895314346 583648091 /nfs/dbraw/zinc/64/80/91/583648091.db2.gz SWYXJKOQEUVLFB-GFCCVEGCSA-N 1 2 244.342 2.344 20 30 BEEDLO N#CC[C@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000895314346 583648092 /nfs/dbraw/zinc/64/80/92/583648092.db2.gz SWYXJKOQEUVLFB-GFCCVEGCSA-N 1 2 244.342 2.344 20 30 BEEDLO CC(C)c1c[nH]c(CN2CC[C@@](C)(C#N)C2)[nH+]1 ZINC000895334996 583652944 /nfs/dbraw/zinc/65/29/44/583652944.db2.gz MHSQLOFRTFBSKT-ZDUSSCGKSA-N 1 2 232.331 2.269 20 30 BEEDLO CCOc1ccc(C[NH+]2CC(CC#N)C2)o1 ZINC000895343589 583655185 /nfs/dbraw/zinc/65/51/85/583655185.db2.gz FNNRUGFKUPOBBD-UHFFFAOYSA-N 1 2 220.272 2.024 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc3c2OCC3)C1 ZINC000895450182 583676010 /nfs/dbraw/zinc/67/60/10/583676010.db2.gz CAEIFFOHIHZGMF-HNNXBMFYSA-N 1 2 242.322 2.357 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000895450182 583676012 /nfs/dbraw/zinc/67/60/12/583676012.db2.gz CAEIFFOHIHZGMF-HNNXBMFYSA-N 1 2 242.322 2.357 20 30 BEEDLO Cc1cc(NC[C@@]2(C)CCCCO2)c(C#N)c[nH+]1 ZINC000896179946 583779476 /nfs/dbraw/zinc/77/94/76/583779476.db2.gz BOTHFRYBUITAFJ-CQSZACIVSA-N 1 2 245.326 2.055 20 30 BEEDLO Cn1cc(C[N@@H+]2CCC[C@H](C#N)C2)c(C2CC2)n1 ZINC000896500241 583807042 /nfs/dbraw/zinc/80/70/42/583807042.db2.gz BEJMXYMYXQHPDJ-LLVKDONJSA-N 1 2 244.342 2.033 20 30 BEEDLO Cn1cc(C[N@H+]2CCC[C@H](C#N)C2)c(C2CC2)n1 ZINC000896500241 583807044 /nfs/dbraw/zinc/80/70/44/583807044.db2.gz BEJMXYMYXQHPDJ-LLVKDONJSA-N 1 2 244.342 2.033 20 30 BEEDLO CC#CC[N@@H+](C)Cc1c(Cl)n[nH]c1CC ZINC000897168982 583888310 /nfs/dbraw/zinc/88/83/10/583888310.db2.gz JQHIAGLCKOUXAK-UHFFFAOYSA-N 1 2 225.723 2.081 20 30 BEEDLO CC#CC[N@H+](C)Cc1c(Cl)n[nH]c1CC ZINC000897168982 583888312 /nfs/dbraw/zinc/88/83/12/583888312.db2.gz JQHIAGLCKOUXAK-UHFFFAOYSA-N 1 2 225.723 2.081 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000897169036 583888532 /nfs/dbraw/zinc/88/85/32/583888532.db2.gz KUUFQLYSLFWRNM-UHFFFAOYSA-N 1 2 225.238 2.126 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000897169036 583888534 /nfs/dbraw/zinc/88/85/34/583888534.db2.gz KUUFQLYSLFWRNM-UHFFFAOYSA-N 1 2 225.238 2.126 20 30 BEEDLO C#CC[N@H+](Cc1nc(C(C)C)c[nH]1)C(C)C ZINC000897171108 583889214 /nfs/dbraw/zinc/88/92/14/583889214.db2.gz QKRXCCGUJFVJMF-UHFFFAOYSA-N 1 2 219.332 2.377 20 30 BEEDLO C#CC[N@@H+](Cc1nc(C(C)C)c[nH]1)C(C)C ZINC000897171108 583889215 /nfs/dbraw/zinc/88/92/15/583889215.db2.gz QKRXCCGUJFVJMF-UHFFFAOYSA-N 1 2 219.332 2.377 20 30 BEEDLO Cc1cc(N[C@@H]2C[C@H]3CCC[C@@H]32)c(C#N)c[nH+]1 ZINC000897177474 583890704 /nfs/dbraw/zinc/89/07/04/583890704.db2.gz QFSHSJDMNDLOOW-SCDSUCTJSA-N 1 2 227.311 2.284 20 30 BEEDLO CCc1cc(NCC#C[C@@H]2CCCCO2)nc[nH+]1 ZINC000897454560 583987500 /nfs/dbraw/zinc/98/75/00/583987500.db2.gz GSDZSXGXFZOFJP-ZDUSSCGKSA-N 1 2 245.326 2.023 20 30 BEEDLO CCC[C@@H](C)C[N@@H+]1CCO[C@](C)(C#N)C1 ZINC000897584461 584022085 /nfs/dbraw/zinc/02/20/85/584022085.db2.gz HDTQNQQVJPRHDD-VXGBXAGGSA-N 1 2 210.321 2.037 20 30 BEEDLO CCC[C@@H](C)C[N@H+]1CCO[C@](C)(C#N)C1 ZINC000897584461 584022088 /nfs/dbraw/zinc/02/20/88/584022088.db2.gz HDTQNQQVJPRHDD-VXGBXAGGSA-N 1 2 210.321 2.037 20 30 BEEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1cncnc1 ZINC000897626020 584032205 /nfs/dbraw/zinc/03/22/05/584032205.db2.gz UAMATAIPGCKVFD-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1cncnc1 ZINC000897626020 584032206 /nfs/dbraw/zinc/03/22/06/584032206.db2.gz UAMATAIPGCKVFD-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO CO[C@@H](C)CC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866253589 584116917 /nfs/dbraw/zinc/11/69/17/584116917.db2.gz DFFIPUJGBIEVMG-WDEREUQCSA-N 1 2 248.326 2.339 20 30 BEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1C ZINC000730094579 584122934 /nfs/dbraw/zinc/12/29/34/584122934.db2.gz JGJYUCNHDNZAHE-AWEZNQCLSA-N 1 2 242.322 2.031 20 30 BEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1C ZINC000730094579 584122935 /nfs/dbraw/zinc/12/29/35/584122935.db2.gz JGJYUCNHDNZAHE-AWEZNQCLSA-N 1 2 242.322 2.031 20 30 BEEDLO Oc1ccccc1/C=[NH+]/C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000899226715 584182360 /nfs/dbraw/zinc/18/23/60/584182360.db2.gz XDDYXSDDKOBWRQ-ZGQOXUJLSA-N 1 2 243.306 2.402 20 30 BEEDLO CCn1c[nH+]c(CN=Nc2ccc(C)cn2)c1 ZINC000901183325 584392623 /nfs/dbraw/zinc/39/26/23/584392623.db2.gz MOZKUIUPZJVIOH-UHFFFAOYSA-N 1 2 229.287 2.052 20 30 BEEDLO CCNN=Cc1cc(C)[nH+]c2c1CCCC2 ZINC000901286448 584422027 /nfs/dbraw/zinc/42/20/27/584422027.db2.gz ROKGHDHLWDYXDD-UHFFFAOYSA-N 1 2 217.316 2.212 20 30 BEEDLO C=C(C)CN(C)C(=O)c1ccc(C)[nH+]c1NC ZINC000901350780 584431320 /nfs/dbraw/zinc/43/13/20/584431320.db2.gz UMKGYOGHCPAOSM-UHFFFAOYSA-N 1 2 233.315 2.080 20 30 BEEDLO CC(C)n1cc(C(=O)/C=C\c2c[nH+]cn2C)cn1 ZINC000901466538 584451527 /nfs/dbraw/zinc/45/15/27/584451527.db2.gz LAJMQUJBOJGTJS-PLNGDYQASA-N 1 2 244.298 2.094 20 30 BEEDLO CC(C)c1c[nH]c(C=CC(=O)c2c[nH]cn2)[nH+]1 ZINC000901539198 584460407 /nfs/dbraw/zinc/46/04/07/584460407.db2.gz HZCUNXXBXIUQLZ-ARJAWSKDSA-N 1 2 230.271 2.152 20 30 BEEDLO C=CCOCCOc1ccc2c(c1)[nH+]cn2C ZINC000902781528 584670113 /nfs/dbraw/zinc/67/01/13/584670113.db2.gz XRHFHFNSZFVONF-UHFFFAOYSA-N 1 2 232.283 2.155 20 30 BEEDLO N#CC1(C[NH2+][C@@H]2CCCc3cn[nH]c32)CCC1 ZINC000903035883 584719497 /nfs/dbraw/zinc/71/94/97/584719497.db2.gz VQGDQVQXFKWVSM-LLVKDONJSA-N 1 2 230.315 2.071 20 30 BEEDLO N#CC1(C[NH2+][C@@H]2CCCc3c[nH]nc32)CCC1 ZINC000903035883 584719498 /nfs/dbraw/zinc/71/94/98/584719498.db2.gz VQGDQVQXFKWVSM-LLVKDONJSA-N 1 2 230.315 2.071 20 30 BEEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1cc(C#N)ccn1 ZINC000903101536 584727168 /nfs/dbraw/zinc/72/71/68/584727168.db2.gz IFZNMFWBSJLVFJ-SNVBAGLBSA-N 1 2 228.299 2.154 20 30 BEEDLO CCCCCCN(O)C(=O)CCc1[nH]cc[nH+]1 ZINC000904204749 584852000 /nfs/dbraw/zinc/85/20/00/584852000.db2.gz TWXPVJUDKUDMSC-UHFFFAOYSA-N 1 2 239.319 2.140 20 30 BEEDLO O=C1c2cccc(F)c2C/C1=C/c1[nH]cc[nH+]1 ZINC000731158486 584923016 /nfs/dbraw/zinc/92/30/16/584923016.db2.gz AYVVSWGCZKHKOZ-FPLPWBNLSA-N 1 2 228.226 2.371 20 30 BEEDLO O=C1c2cc(F)ccc2O/C1=C\c1[nH]cc[nH+]1 ZINC000731158800 584923026 /nfs/dbraw/zinc/92/30/26/584923026.db2.gz JAOFCYPUGZZWEG-POHAHGRESA-N 1 2 230.198 2.165 20 30 BEEDLO C[C@]1(C/[NH+]=C/c2ccccc2O)CCOC1 ZINC000733081136 584943062 /nfs/dbraw/zinc/94/30/62/584943062.db2.gz OOBLRRYCGVDLMM-SJWLEHQBSA-N 1 2 219.284 2.238 20 30 BEEDLO C#CC[C@@H]([NH2+][C@@H](C)CCCCC=C)C(=O)OC ZINC000839167604 585095318 /nfs/dbraw/zinc/09/53/18/585095318.db2.gz GQSMHRMZEGDONH-QWHCGFSZSA-N 1 2 237.343 2.276 20 30 BEEDLO C#CC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000839166675 585095351 /nfs/dbraw/zinc/09/53/51/585095351.db2.gz AJKISHLSSYQINY-UHFFFAOYSA-N 1 2 205.688 2.331 20 30 BEEDLO C#CC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000839166675 585095352 /nfs/dbraw/zinc/09/53/52/585095352.db2.gz AJKISHLSSYQINY-UHFFFAOYSA-N 1 2 205.688 2.331 20 30 BEEDLO C#CC[C@H]([NH2+]C[C@H]1CC(C)=C[C@H](C)C1)C(=O)OC ZINC000839167630 585095776 /nfs/dbraw/zinc/09/57/76/585095776.db2.gz HFGYSPOSJFPOHK-YUTCNCBUSA-N 1 2 249.354 2.133 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](CC)C[C@H](C)CC)C(=O)OC ZINC000839168832 585095852 /nfs/dbraw/zinc/09/58/52/585095852.db2.gz NDNGVKJPDFGWOH-UPJWGTAASA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](C)CCC(C)(C)C)C(=O)OC ZINC000839170081 585095963 /nfs/dbraw/zinc/09/59/63/585095963.db2.gz WCTKLWFYCNQDHX-NEPJUHHUSA-N 1 2 239.359 2.356 20 30 BEEDLO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C(=O)OC ZINC000839170341 585096229 /nfs/dbraw/zinc/09/62/29/585096229.db2.gz ZVCJHYFADOHNKH-MCIONIFRSA-N 1 2 249.354 2.110 20 30 BEEDLO C#CC[C@@H]([NH2+][C@H](C)C1CCCCC1)C(=O)OC ZINC000839170481 585096398 /nfs/dbraw/zinc/09/63/98/585096398.db2.gz ZYGUKRWZJJFOSL-DGCLKSJQSA-N 1 2 237.343 2.110 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1C/C(C)=C\c1ccccc1 ZINC000839186649 585097021 /nfs/dbraw/zinc/09/70/21/585097021.db2.gz NHHNHUASMIQTJW-SYCZXOQXSA-N 1 2 241.334 2.424 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1C/C(C)=C\c1ccccc1 ZINC000839186649 585097022 /nfs/dbraw/zinc/09/70/22/585097022.db2.gz NHHNHUASMIQTJW-SYCZXOQXSA-N 1 2 241.334 2.424 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CCCc1cccc(F)c1 ZINC000839199365 585099062 /nfs/dbraw/zinc/09/90/62/585099062.db2.gz JGVQPGWJLKJZIC-HNNXBMFYSA-N 1 2 247.313 2.092 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CCCc1cccc(F)c1 ZINC000839199365 585099063 /nfs/dbraw/zinc/09/90/63/585099063.db2.gz JGVQPGWJLKJZIC-HNNXBMFYSA-N 1 2 247.313 2.092 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CCCSCC(C)C ZINC000839199183 585099214 /nfs/dbraw/zinc/09/92/14/585099214.db2.gz BWCXCPXBJODNNA-ZDUSSCGKSA-N 1 2 241.400 2.100 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CCCSCC(C)C ZINC000839199183 585099215 /nfs/dbraw/zinc/09/92/15/585099215.db2.gz BWCXCPXBJODNNA-ZDUSSCGKSA-N 1 2 241.400 2.100 20 30 BEEDLO C(=NNc1cc[nH+]c2ccccc12)c1cc[nH]c1 ZINC000745203574 585157925 /nfs/dbraw/zinc/15/79/25/585157925.db2.gz ICQFVUYVBCIDSY-UHFFFAOYSA-N 1 2 236.278 2.431 20 30 BEEDLO C#CC[N@@H+](CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000746457493 585168261 /nfs/dbraw/zinc/16/82/61/585168261.db2.gz GBSIIWZTPIUKFY-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO C#CC[N@H+](CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000746457493 585168262 /nfs/dbraw/zinc/16/82/62/585168262.db2.gz GBSIIWZTPIUKFY-UHFFFAOYSA-N 1 2 236.246 2.189 20 30 BEEDLO CC(=[NH+]OCc1cccnc1)c1csc(N)n1 ZINC000746587174 585170578 /nfs/dbraw/zinc/17/05/78/585170578.db2.gz HTCMDGBGFCJHPR-UHFFFAOYSA-N 1 2 248.311 2.061 20 30 BEEDLO C#CC[N@@H+](CC#CC)CC#Cc1ccc(F)cc1 ZINC000747613745 585181254 /nfs/dbraw/zinc/18/12/54/585181254.db2.gz FSOVIJFHRXNCAX-UHFFFAOYSA-N 1 2 239.293 2.136 20 30 BEEDLO C#CC[N@H+](CC#CC)CC#Cc1ccc(F)cc1 ZINC000747613745 585181255 /nfs/dbraw/zinc/18/12/55/585181255.db2.gz FSOVIJFHRXNCAX-UHFFFAOYSA-N 1 2 239.293 2.136 20 30 BEEDLO COC[C@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000748097196 585186905 /nfs/dbraw/zinc/18/69/05/585186905.db2.gz FXDUZGZULSGLLT-QMMMGPOBSA-N 1 2 242.706 2.012 20 30 BEEDLO C=CCCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000748310212 585190401 /nfs/dbraw/zinc/19/04/01/585190401.db2.gz LUFDPKAQQNYSIY-CYBMUJFWSA-N 1 2 247.342 2.403 20 30 BEEDLO C=C(Cl)C[N@H+]1CCOC[C@]1(C)CC ZINC000839531021 585210619 /nfs/dbraw/zinc/21/06/19/585210619.db2.gz BEMSLVDQUKQOQV-JTQLQIEISA-N 1 2 203.713 2.240 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCOC[C@]1(C)CC ZINC000839531021 585210620 /nfs/dbraw/zinc/21/06/20/585210620.db2.gz BEMSLVDQUKQOQV-JTQLQIEISA-N 1 2 203.713 2.240 20 30 BEEDLO C=CC[N@H+](Cc1nnc2n1CCCCC2)C(C)C ZINC000750517525 585216422 /nfs/dbraw/zinc/21/64/22/585216422.db2.gz KFGKXUJGVZTPLZ-UHFFFAOYSA-N 1 2 248.374 2.401 20 30 BEEDLO C=CC[N@@H+](Cc1nnc2n1CCCCC2)C(C)C ZINC000750517525 585216423 /nfs/dbraw/zinc/21/64/23/585216423.db2.gz KFGKXUJGVZTPLZ-UHFFFAOYSA-N 1 2 248.374 2.401 20 30 BEEDLO C=C(CC)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000751456387 585230532 /nfs/dbraw/zinc/23/05/32/585230532.db2.gz PZNWWUWPIXOKKD-UHFFFAOYSA-N 1 2 234.299 2.106 20 30 BEEDLO CC[C@@H]1CCCC1N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753940341 585272489 /nfs/dbraw/zinc/27/24/89/585272489.db2.gz UGFNCSVUMFULCH-WXHSDQCUSA-N 1 2 248.374 2.413 20 30 BEEDLO Oc1ccc(/C=[NH+]\CCC2CCC2)c(O)c1O ZINC000755032566 585293453 /nfs/dbraw/zinc/29/34/53/585293453.db2.gz XLIMAXBPCCFQHT-ZSOIEALJSA-N 1 2 235.283 2.413 20 30 BEEDLO CN(C)c1ncc(C=[NH+]Nc2ccccn2)s1 ZINC000755519335 585301222 /nfs/dbraw/zinc/30/12/22/585301222.db2.gz JIGYFZDQXUUMDD-UHFFFAOYSA-N 1 2 247.327 2.050 20 30 BEEDLO Cc1ccc(C)c(NN=Cc2c[nH+]cn2C)c1 ZINC000755566521 585301531 /nfs/dbraw/zinc/30/15/31/585301531.db2.gz VXCVMORSZINRFL-UHFFFAOYSA-N 1 2 228.299 2.483 20 30 BEEDLO CCON=Cc1c[nH+]c2ccc(C)cn12 ZINC000755628091 585302683 /nfs/dbraw/zinc/30/26/83/585302683.db2.gz PZFHNTXMUHGLNJ-UHFFFAOYSA-N 1 2 203.245 2.013 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NOCc1ccccc1 ZINC000755630843 585302894 /nfs/dbraw/zinc/30/28/94/585302894.db2.gz AHZDZDWDDRHFGQ-UHFFFAOYSA-N 1 2 215.256 2.269 20 30 BEEDLO CC(C)C[N@H+](CCC#N)Cc1ccno1 ZINC000755671624 585303807 /nfs/dbraw/zinc/30/38/07/585303807.db2.gz WWKDZCKRHDAUJF-UHFFFAOYSA-N 1 2 207.277 2.046 20 30 BEEDLO CC(C)C[N@@H+](CCC#N)Cc1ccno1 ZINC000755671624 585303808 /nfs/dbraw/zinc/30/38/08/585303808.db2.gz WWKDZCKRHDAUJF-UHFFFAOYSA-N 1 2 207.277 2.046 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNc1ccc(Cl)nc1 ZINC000755754973 585305760 /nfs/dbraw/zinc/30/57/60/585305760.db2.gz VPSASPUDCCYTIT-UHFFFAOYSA-N 1 2 235.678 2.213 20 30 BEEDLO COc1cc(F)cc(NN=Cc2[nH+]c[nH]c2C)c1 ZINC000755769671 585306378 /nfs/dbraw/zinc/30/63/78/585306378.db2.gz PUYATGVXSRZORY-UHFFFAOYSA-N 1 2 248.261 2.312 20 30 BEEDLO C=CC[C@@H]([NH2+]Cc1cocn1)c1ccncc1 ZINC000758339808 585354032 /nfs/dbraw/zinc/35/40/32/585354032.db2.gz ADHPDVJVFUKOHL-CYBMUJFWSA-N 1 2 229.283 2.477 20 30 BEEDLO C#CCC[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000760864256 585400355 /nfs/dbraw/zinc/40/03/55/585400355.db2.gz XTZWBUAUKUFNHJ-UHFFFAOYSA-N 1 2 237.343 2.254 20 30 BEEDLO CCc1ccc(C=[NH+][N-]c2[nH+]ccn2C)cc1 ZINC000790305737 585417682 /nfs/dbraw/zinc/41/76/82/585417682.db2.gz NTNXWHVEAVYRMH-UHFFFAOYSA-N 1 2 228.299 2.429 20 30 BEEDLO CCc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790305737 585417683 /nfs/dbraw/zinc/41/76/83/585417683.db2.gz NTNXWHVEAVYRMH-UHFFFAOYSA-N 1 2 228.299 2.429 20 30 BEEDLO CC[C@@H](C)CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761857701 585420613 /nfs/dbraw/zinc/42/06/13/585420613.db2.gz MLKFZSQSQWIGLP-SNVBAGLBSA-N 1 2 244.302 2.106 20 30 BEEDLO CC(C)C(C)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761856553 585420619 /nfs/dbraw/zinc/42/06/19/585420619.db2.gz AVUPVAGEKOIABW-UHFFFAOYSA-N 1 2 244.302 2.106 20 30 BEEDLO C=CC[N@@H+](Cc1cc(Cl)n(C)n1)C1CC1 ZINC000859226777 589022087 /nfs/dbraw/zinc/02/20/87/589022087.db2.gz VGANERGWAICNKJ-UHFFFAOYSA-N 1 2 225.723 2.224 20 30 BEEDLO C=CC[N@H+](Cc1cc(Cl)n(C)n1)C1CC1 ZINC000859226777 589022088 /nfs/dbraw/zinc/02/20/88/589022088.db2.gz VGANERGWAICNKJ-UHFFFAOYSA-N 1 2 225.723 2.224 20 30 BEEDLO CC#CCCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000765516814 585488942 /nfs/dbraw/zinc/48/89/42/585488942.db2.gz XOTLZMIEXGPJJI-AWEZNQCLSA-N 1 2 245.322 2.246 20 30 BEEDLO C#CCCCO[NH+]=C(N)Cc1cccs1 ZINC000766742811 585507819 /nfs/dbraw/zinc/50/78/19/585507819.db2.gz YOLYVXNBNDDCIE-UHFFFAOYSA-N 1 2 222.313 2.202 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000768877318 585545395 /nfs/dbraw/zinc/54/53/95/585545395.db2.gz JFISWTAPTZMLIJ-NSHDSACASA-N 1 2 230.311 2.308 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000768877318 585545396 /nfs/dbraw/zinc/54/53/96/585545396.db2.gz JFISWTAPTZMLIJ-NSHDSACASA-N 1 2 230.311 2.308 20 30 BEEDLO COc1cc(C)[nH+]c(CON=C2CCC2)c1 ZINC000769565566 585559891 /nfs/dbraw/zinc/55/98/91/585559891.db2.gz YVUPCNDTJZPARX-UHFFFAOYSA-N 1 2 220.272 2.455 20 30 BEEDLO C#CCCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000769892309 585566073 /nfs/dbraw/zinc/56/60/73/585566073.db2.gz IKSCSJFPYPGIJL-LBPRGKRZSA-N 1 2 204.317 2.414 20 30 BEEDLO C#CCCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000769892309 585566074 /nfs/dbraw/zinc/56/60/74/585566074.db2.gz IKSCSJFPYPGIJL-LBPRGKRZSA-N 1 2 204.317 2.414 20 30 BEEDLO O=C1c2ccc(F)cc2O/C1=C\c1[nH]cc[nH+]1 ZINC000773170964 585632953 /nfs/dbraw/zinc/63/29/53/585632953.db2.gz GNHCSTQAPSQWTO-POHAHGRESA-N 1 2 230.198 2.165 20 30 BEEDLO C=C(CC)CO[NH+]=C(N)Cc1cccnc1 ZINC000773178226 585633310 /nfs/dbraw/zinc/63/33/10/585633310.db2.gz VLSNGGUGMXQGRF-UHFFFAOYSA-N 1 2 219.288 2.089 20 30 BEEDLO C=CC[N@H+](Cc1nnc(C)s1)C(C)C ZINC000773417926 585636389 /nfs/dbraw/zinc/63/63/89/585636389.db2.gz BOERBDBHEBAXLG-UHFFFAOYSA-N 1 2 211.334 2.243 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(C)s1)C(C)C ZINC000773417926 585636390 /nfs/dbraw/zinc/63/63/90/585636390.db2.gz BOERBDBHEBAXLG-UHFFFAOYSA-N 1 2 211.334 2.243 20 30 BEEDLO CCOCCON=CCCc1ccc(C)[nH+]c1 ZINC000774433744 585658828 /nfs/dbraw/zinc/65/88/28/585658828.db2.gz MLFOENFXQBUTAA-UHFFFAOYSA-N 1 2 236.315 2.362 20 30 BEEDLO N#CC1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000775668085 585682708 /nfs/dbraw/zinc/68/27/08/585682708.db2.gz RBVDNVXGVRBXDM-UHFFFAOYSA-N 1 2 247.367 2.367 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc2c(s1)CCCC2 ZINC000776586203 585701769 /nfs/dbraw/zinc/70/17/69/585701769.db2.gz DFXCDRUZKKLQHA-UHFFFAOYSA-N 1 2 234.368 2.477 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc2c(s1)CCCC2 ZINC000776586203 585701770 /nfs/dbraw/zinc/70/17/70/585701770.db2.gz DFXCDRUZKKLQHA-UHFFFAOYSA-N 1 2 234.368 2.477 20 30 BEEDLO C=CCN(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC000776807617 585705983 /nfs/dbraw/zinc/70/59/83/585705983.db2.gz UWIOCLXQAYFQGX-UHFFFAOYSA-N 1 2 243.310 2.371 20 30 BEEDLO N#CCc1cc[nH+]c(NCc2ccc(F)nc2)c1 ZINC000777738640 585719428 /nfs/dbraw/zinc/71/94/28/585719428.db2.gz XFDYEYCTFKRAPZ-UHFFFAOYSA-N 1 2 242.257 2.294 20 30 BEEDLO Nc1ncccc1C=[NH+]Nc1cc(Cl)ccn1 ZINC000777913779 585723786 /nfs/dbraw/zinc/72/37/86/585723786.db2.gz RTTUFPWDKQNVRG-UHFFFAOYSA-N 1 2 247.689 2.158 20 30 BEEDLO C=CC[N@@H+](CCc1ccco1)Cc1nonc1C ZINC000778996602 585743664 /nfs/dbraw/zinc/74/36/64/585743664.db2.gz RRKBCZMMDKCWSJ-UHFFFAOYSA-N 1 2 247.298 2.202 20 30 BEEDLO C=CC[N@H+](CCc1ccco1)Cc1nonc1C ZINC000778996602 585743665 /nfs/dbraw/zinc/74/36/65/585743665.db2.gz RRKBCZMMDKCWSJ-UHFFFAOYSA-N 1 2 247.298 2.202 20 30 BEEDLO Oc1c(Cl)cccc1C=NNc1cc[nH+]cc1 ZINC000779808666 585765469 /nfs/dbraw/zinc/76/54/69/585765469.db2.gz GFAAHSOUFGIPJF-UHFFFAOYSA-N 1 2 247.685 2.309 20 30 BEEDLO C#CCCCCCC(=O)OCCn1cc[nH+]c1 ZINC000780257871 585775449 /nfs/dbraw/zinc/77/54/49/585775449.db2.gz VZOSHAFXHPOYTA-UHFFFAOYSA-N 1 2 234.299 2.010 20 30 BEEDLO Cc1ccc(C[NH2+]Cc2ccc(C#N)cn2)o1 ZINC000780555596 585781019 /nfs/dbraw/zinc/78/10/19/585781019.db2.gz PNJNKKUFHYWMSL-UHFFFAOYSA-N 1 2 227.267 2.145 20 30 BEEDLO N#CCC1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000781571642 585798994 /nfs/dbraw/zinc/79/89/94/585798994.db2.gz HZFFIHHNPVZESS-UHFFFAOYSA-N 1 2 238.722 2.120 20 30 BEEDLO Oc1ccccc1/C=[NH+]\CC[C@H]1CCOC1 ZINC000783686123 585840238 /nfs/dbraw/zinc/84/02/38/585840238.db2.gz XNQFVFDRYYAJHE-HOXUKUGESA-N 1 2 219.284 2.238 20 30 BEEDLO C=C[C@](C)(CC)C(=O)OCCn1cc[nH+]c1 ZINC000785762434 585880212 /nfs/dbraw/zinc/88/02/12/585880212.db2.gz TWCFFERPICEEQV-GFCCVEGCSA-N 1 2 222.288 2.029 20 30 BEEDLO C#Cc1cc(F)c(NCc2[nH+]ccn2C)c(F)c1 ZINC000787909552 585917368 /nfs/dbraw/zinc/91/73/68/585917368.db2.gz FZFAXJGNIVINHC-UHFFFAOYSA-N 1 2 247.248 2.292 20 30 BEEDLO Cc1nn(C)c(Cl)c1C[N@H+](C)CCCC#N ZINC000788007591 585918674 /nfs/dbraw/zinc/91/86/74/585918674.db2.gz AXYADTUWWYDXPW-UHFFFAOYSA-N 1 2 240.738 2.118 20 30 BEEDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)CCCC#N ZINC000788007591 585918675 /nfs/dbraw/zinc/91/86/75/585918675.db2.gz AXYADTUWWYDXPW-UHFFFAOYSA-N 1 2 240.738 2.118 20 30 BEEDLO CC(N=Nc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000790136364 585958502 /nfs/dbraw/zinc/95/85/02/585958502.db2.gz INEYEBGCRZPGOU-UHFFFAOYSA-N 1 2 245.242 2.154 20 30 BEEDLO CC(N=Nc1ncccc1Cl)c1[nH]cc[nH+]1 ZINC000790157743 585959000 /nfs/dbraw/zinc/95/90/00/585959000.db2.gz PKIACUMQPHKCHC-UHFFFAOYSA-N 1 2 235.678 2.294 20 30 BEEDLO CC(N=Nc1cc(Cl)ccn1)c1[nH]cc[nH+]1 ZINC000790174219 585959575 /nfs/dbraw/zinc/95/95/75/585959575.db2.gz QGQWBYNWTJNQDW-UHFFFAOYSA-N 1 2 235.678 2.294 20 30 BEEDLO CC(=[NH+]Nc1ncccc1C)c1csc(N)n1 ZINC000790185058 585960198 /nfs/dbraw/zinc/96/01/98/585960198.db2.gz FLCWWHGVTMDDAM-UHFFFAOYSA-N 1 2 247.327 2.265 20 30 BEEDLO COc1cccc(C(C)=NNc2[nH+]ccn2C)c1 ZINC000790299466 585962877 /nfs/dbraw/zinc/96/28/77/585962877.db2.gz CEXSMUDNHLQGOR-UHFFFAOYSA-N 1 2 244.298 2.265 20 30 BEEDLO CCOc1ccc(C=NNc2[nH+]ccn2C)cc1 ZINC000790302621 585962968 /nfs/dbraw/zinc/96/29/68/585962968.db2.gz WCBKBKSIWUZUBS-UHFFFAOYSA-N 1 2 244.298 2.265 20 30 BEEDLO Cc1ccccc1C=NNc1[nH+]ccn1C ZINC000790306014 585963319 /nfs/dbraw/zinc/96/33/19/585963319.db2.gz SSRRQYDKELSPCB-UHFFFAOYSA-N 1 2 214.272 2.175 20 30 BEEDLO Cc1ccccc1C=[NH+][N-]c1[nH+]ccn1C ZINC000790306014 585963320 /nfs/dbraw/zinc/96/33/20/585963320.db2.gz SSRRQYDKELSPCB-UHFFFAOYSA-N 1 2 214.272 2.175 20 30 BEEDLO Cc1ccc(F)c(C=NNc2[nH+]ccn2C)c1 ZINC000790305918 585963355 /nfs/dbraw/zinc/96/33/55/585963355.db2.gz QTMAXPFFQUYKRX-UHFFFAOYSA-N 1 2 232.262 2.314 20 30 BEEDLO C=CCC(CC=C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792026026 585994035 /nfs/dbraw/zinc/99/40/35/585994035.db2.gz XSYXZMSXMYWYCK-UHFFFAOYSA-N 1 2 246.310 2.475 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792133539 585996585 /nfs/dbraw/zinc/99/65/85/585996585.db2.gz ROWWTPSUSTWZJO-SNVBAGLBSA-N 1 2 234.299 2.309 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1coc(C2CC2)n1 ZINC000792192339 585997403 /nfs/dbraw/zinc/99/74/03/585997403.db2.gz ILMPXWCEGHSVSL-UHFFFAOYSA-N 1 2 236.315 2.186 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1coc(C2CC2)n1 ZINC000792192339 585997404 /nfs/dbraw/zinc/99/74/04/585997404.db2.gz ILMPXWCEGHSVSL-UHFFFAOYSA-N 1 2 236.315 2.186 20 30 BEEDLO CCn1cc[nH+]c1CN=Nc1cccc(Cl)n1 ZINC000793176118 586013014 /nfs/dbraw/zinc/01/30/14/586013014.db2.gz YJDLQEQGEBLUSP-UHFFFAOYSA-N 1 2 249.705 2.397 20 30 BEEDLO CSCCON=Cc1cccc2[nH+]ccn21 ZINC000794573788 586044449 /nfs/dbraw/zinc/04/44/49/586044449.db2.gz KJINHKVJIKXMDW-UHFFFAOYSA-N 1 2 235.312 2.048 20 30 BEEDLO C=CCNN=Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000795000020 586063787 /nfs/dbraw/zinc/06/37/87/586063787.db2.gz XAWMWQZMXOGBKI-UHFFFAOYSA-N 1 2 240.310 2.290 20 30 BEEDLO NC(=[NH+]OCCCCF)c1ccc(F)cc1 ZINC000795203524 586071902 /nfs/dbraw/zinc/07/19/02/586071902.db2.gz PQIRNVPPEKZSIU-UHFFFAOYSA-N 1 2 228.242 2.212 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccc(Cl)cc1OC ZINC000796444637 586102900 /nfs/dbraw/zinc/10/29/00/586102900.db2.gz HHOMCFALSSHYRR-UHFFFAOYSA-N 1 2 247.725 2.417 20 30 BEEDLO C=CCC(C)(C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000797187232 586122366 /nfs/dbraw/zinc/12/23/66/586122366.db2.gz RXYKJGJZQOETOR-LLVKDONJSA-N 1 2 243.322 2.176 20 30 BEEDLO C=CCC(C)(C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000797187232 586122367 /nfs/dbraw/zinc/12/23/67/586122367.db2.gz RXYKJGJZQOETOR-LLVKDONJSA-N 1 2 243.322 2.176 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccc(O)cc2)c1 ZINC000798231066 586141380 /nfs/dbraw/zinc/14/13/80/586141380.db2.gz DUBQSQLOVKFYKZ-QPJJXVBHSA-N 1 2 228.251 2.022 20 30 BEEDLO C=C(C)CNC(=S)NCc1c[nH+]c(C)cc1C ZINC000840826757 586142325 /nfs/dbraw/zinc/14/23/25/586142325.db2.gz VBZAPOQGVCIXBP-UHFFFAOYSA-N 1 2 249.383 2.239 20 30 BEEDLO C#C[C@@H]([NH2+][C@H](CC(C)C)C(=O)OCC)C(C)C ZINC000798398459 586143488 /nfs/dbraw/zinc/14/34/88/586143488.db2.gz QEPGKTKYLGWCFE-CHWSQXEVSA-N 1 2 239.359 2.212 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1noc(C2CCC2)n1 ZINC000859318502 589031026 /nfs/dbraw/zinc/03/10/26/589031026.db2.gz DGHDPIJEDBYOAA-ZDUSSCGKSA-N 1 2 233.315 2.229 20 30 BEEDLO Cc1cc(C(=O)/C=C\c2cn(C)c[nH+]2)ccc1O ZINC000800793552 586229347 /nfs/dbraw/zinc/22/93/47/586229347.db2.gz MDZCOANPNALYBV-XQRVVYSFSA-N 1 2 242.278 2.330 20 30 BEEDLO CC(=NOCc1cccnc1)c1cn(C)c(C)[nH+]1 ZINC000800814690 586231724 /nfs/dbraw/zinc/23/17/24/586231724.db2.gz URUDORHOOAMBAB-UHFFFAOYSA-N 1 2 244.298 2.064 20 30 BEEDLO C1[C@@H]2[C@H]1CCCC2N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000800815381 586232210 /nfs/dbraw/zinc/23/22/10/586232210.db2.gz WNEKFFQYZGOBJP-LFSVMHDDSA-N 1 2 246.358 2.022 20 30 BEEDLO Nc1ccc(C=[NH+]Nc2ccc(F)cc2F)cn1 ZINC000807943589 586452490 /nfs/dbraw/zinc/45/24/90/586452490.db2.gz NBHHISGHWGHPOO-UHFFFAOYSA-N 1 2 248.236 2.388 20 30 BEEDLO Cc1cnn(C)c1C[N@@H+](CCC#N)CC(C)C ZINC000809538177 586506256 /nfs/dbraw/zinc/50/62/56/586506256.db2.gz JMCZWBSSZSHTAG-UHFFFAOYSA-N 1 2 234.347 2.100 20 30 BEEDLO Cc1cnn(C)c1C[N@H+](CCC#N)CC(C)C ZINC000809538177 586506257 /nfs/dbraw/zinc/50/62/57/586506257.db2.gz JMCZWBSSZSHTAG-UHFFFAOYSA-N 1 2 234.347 2.100 20 30 BEEDLO Cc1cc[nH+]cc1CCCN1CC[C@](F)(C#N)C1 ZINC000809650704 586510868 /nfs/dbraw/zinc/51/08/68/586510868.db2.gz JYJUMUAJBVCTNT-AWEZNQCLSA-N 1 2 247.317 2.260 20 30 BEEDLO C=CC[N@H+](Cc1nc(C#N)cs1)C(C)C ZINC000811456268 586559221 /nfs/dbraw/zinc/55/92/21/586559221.db2.gz JUDNGVWHUVPUKJ-UHFFFAOYSA-N 1 2 221.329 2.411 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C#N)cs1)C(C)C ZINC000811456268 586559222 /nfs/dbraw/zinc/55/92/22/586559222.db2.gz JUDNGVWHUVPUKJ-UHFFFAOYSA-N 1 2 221.329 2.411 20 30 BEEDLO Oc1cccc(/C=[NH+]/CCCCF)c1O ZINC000812444357 586577302 /nfs/dbraw/zinc/57/73/02/586577302.db2.gz DSFXUMZUWAMXEM-MDWZMJQESA-N 1 2 211.236 2.266 20 30 BEEDLO C#CCCC[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000813858438 586608324 /nfs/dbraw/zinc/60/83/24/586608324.db2.gz ZOMGDSCRBOSIEI-ZDUSSCGKSA-N 1 2 246.358 2.429 20 30 BEEDLO Cc1ccc(C)c(N[NH+]=Cc2cn(C)[nH]c2=O)c1 ZINC000814215279 586617780 /nfs/dbraw/zinc/61/77/80/586617780.db2.gz NLNRUGMZPKKHKH-UHFFFAOYSA-N 1 2 244.298 2.189 20 30 BEEDLO Cc1cc(F)ccc1N[NH+]=Cc1cn(C)[nH]c1=O ZINC000814225079 586617951 /nfs/dbraw/zinc/61/79/51/586617951.db2.gz OXUSXKFRNGVUNF-UHFFFAOYSA-N 1 2 248.261 2.019 20 30 BEEDLO CC(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)[C@H]1CC1(C)C ZINC000814886217 586642876 /nfs/dbraw/zinc/64/28/76/586642876.db2.gz VICAGROHSUEJKI-IJLUTSLNSA-N 1 2 248.374 2.268 20 30 BEEDLO CC(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)[C@@H]1CC1(C)C ZINC000814886218 586643134 /nfs/dbraw/zinc/64/31/34/586643134.db2.gz VICAGROHSUEJKI-QJPTWQEYSA-N 1 2 248.374 2.268 20 30 BEEDLO C#CCC[N@@H+](C)Cc1c(F)cccc1F ZINC000815169939 586672258 /nfs/dbraw/zinc/67/22/58/586672258.db2.gz KVUMRZPZHIWSLE-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO C#CCC[N@H+](C)Cc1c(F)cccc1F ZINC000815169939 586672259 /nfs/dbraw/zinc/67/22/59/586672259.db2.gz KVUMRZPZHIWSLE-UHFFFAOYSA-N 1 2 209.239 2.420 20 30 BEEDLO C#CCCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000816480990 586735679 /nfs/dbraw/zinc/73/56/79/586735679.db2.gz DIPNDQARGWACQK-UHFFFAOYSA-N 1 2 227.267 2.076 20 30 BEEDLO C#CC[C@H]([NH2+]C1CC2(C1)CCCCC2)C(=O)OC ZINC000817409408 586801257 /nfs/dbraw/zinc/80/12/57/586801257.db2.gz KPEDRDJSLCVXKP-ZDUSSCGKSA-N 1 2 249.354 2.254 20 30 BEEDLO C=C[C@@H](CC)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000820191864 587033865 /nfs/dbraw/zinc/03/38/65/587033865.db2.gz SHZCEGXXLOQAMR-ZJUUUORDSA-N 1 2 221.304 2.189 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1NCC ZINC000820599086 587058191 /nfs/dbraw/zinc/05/81/91/587058191.db2.gz OKFBZFNAJXPJBE-UHFFFAOYSA-N 1 2 204.273 2.306 20 30 BEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000820947587 587083616 /nfs/dbraw/zinc/08/36/16/587083616.db2.gz FPTNYRALKCSIRK-MNOVXSKESA-N 1 2 233.315 2.046 20 30 BEEDLO C=C[C@H](CC)CC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000823307975 587215640 /nfs/dbraw/zinc/21/56/40/587215640.db2.gz YVGJAGMRPQISDS-RKDXNWHRSA-N 1 2 226.345 2.196 20 30 BEEDLO C#CC[N@H+]1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000823510083 587228688 /nfs/dbraw/zinc/22/86/88/587228688.db2.gz WDIZFJPYYJRNEG-NWDGAFQWSA-N 1 2 237.343 2.062 20 30 BEEDLO C#CC[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000823510083 587228689 /nfs/dbraw/zinc/22/86/89/587228689.db2.gz WDIZFJPYYJRNEG-NWDGAFQWSA-N 1 2 237.343 2.062 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1cc(F)ncc1F ZINC000824114429 587256605 /nfs/dbraw/zinc/25/66/05/587256605.db2.gz VNSJOBCMNQOHGX-UHFFFAOYSA-N 1 2 212.243 2.368 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1cc(F)ncc1F ZINC000824114429 587256607 /nfs/dbraw/zinc/25/66/07/587256607.db2.gz VNSJOBCMNQOHGX-UHFFFAOYSA-N 1 2 212.243 2.368 20 30 BEEDLO C=C[C@H]1CCCC[N@H+]1Cc1nn(CC)nc1C ZINC000824302033 587265348 /nfs/dbraw/zinc/26/53/48/587265348.db2.gz LQJZDFSZJUKHHY-LBPRGKRZSA-N 1 2 234.347 2.147 20 30 BEEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nn(CC)nc1C ZINC000824302033 587265349 /nfs/dbraw/zinc/26/53/49/587265349.db2.gz LQJZDFSZJUKHHY-LBPRGKRZSA-N 1 2 234.347 2.147 20 30 BEEDLO N#CCC[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000824302436 587265448 /nfs/dbraw/zinc/26/54/48/587265448.db2.gz VNMNVSMQXMJURN-UHFFFAOYSA-N 1 2 235.674 2.484 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nn(CC)nc1C ZINC000824302032 587265510 /nfs/dbraw/zinc/26/55/10/587265510.db2.gz LQJZDFSZJUKHHY-GFCCVEGCSA-N 1 2 234.347 2.147 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nn(CC)nc1C ZINC000824302032 587265511 /nfs/dbraw/zinc/26/55/11/587265511.db2.gz LQJZDFSZJUKHHY-GFCCVEGCSA-N 1 2 234.347 2.147 20 30 BEEDLO C=C[C@H](CC)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000825514190 587322348 /nfs/dbraw/zinc/32/23/48/587322348.db2.gz YVMFZLUMOXBUEE-GHMZBOCLSA-N 1 2 233.315 2.046 20 30 BEEDLO C=C[C@H](CC)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000825514192 587322505 /nfs/dbraw/zinc/32/25/05/587322505.db2.gz YVMFZLUMOXBUEE-MNOVXSKESA-N 1 2 233.315 2.046 20 30 BEEDLO CC(C)CC(=O)CC[N@H+](C)C[C@H](C)C#N ZINC000827853133 587405879 /nfs/dbraw/zinc/40/58/79/587405879.db2.gz XWXSLZSIUHRMQL-LLVKDONJSA-N 1 2 210.321 2.083 20 30 BEEDLO CC(C)CC(=O)CC[N@@H+](C)C[C@H](C)C#N ZINC000827853133 587405880 /nfs/dbraw/zinc/40/58/80/587405880.db2.gz XWXSLZSIUHRMQL-LLVKDONJSA-N 1 2 210.321 2.083 20 30 BEEDLO C#CC[N@H+](Cc1ccncc1C#N)C1CCCC1 ZINC000827989944 587415594 /nfs/dbraw/zinc/41/55/94/587415594.db2.gz DJANZMAZCIRVLA-UHFFFAOYSA-N 1 2 239.322 2.331 20 30 BEEDLO C#CC[N@@H+](Cc1ccncc1C#N)C1CCCC1 ZINC000827989944 587415596 /nfs/dbraw/zinc/41/55/96/587415596.db2.gz DJANZMAZCIRVLA-UHFFFAOYSA-N 1 2 239.322 2.331 20 30 BEEDLO C=C(C)C[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829110759 587483539 /nfs/dbraw/zinc/48/35/39/587483539.db2.gz JUUWYSMVKNEYMP-UHFFFAOYSA-N 1 2 223.707 2.064 20 30 BEEDLO C=C(C)C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829110759 587483541 /nfs/dbraw/zinc/48/35/41/587483541.db2.gz JUUWYSMVKNEYMP-UHFFFAOYSA-N 1 2 223.707 2.064 20 30 BEEDLO CCCCCC[C@H](O)C[NH+]1CC(C)(C#N)C1 ZINC000834374302 587753566 /nfs/dbraw/zinc/75/35/66/587753566.db2.gz PUTHWWXVBNEAPY-LBPRGKRZSA-N 1 2 224.348 2.163 20 30 BEEDLO C=CCCC[NH2+]c1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000834664273 587763279 /nfs/dbraw/zinc/76/32/79/587763279.db2.gz NOQAYNQMTNOMPD-AWEZNQCLSA-N 1 2 246.310 2.290 20 30 BEEDLO Nc1ccc2c(c1)CCC2=[NH+]OCC(F)(F)F ZINC000834964971 587773077 /nfs/dbraw/zinc/77/30/77/587773077.db2.gz IDCIOCJPRWIAOM-UHFFFAOYSA-N 1 2 244.216 2.498 20 30 BEEDLO CC1(C)CCC[C@@H](C=[NH+]n2ccnn2)C1 ZINC000835011839 587777876 /nfs/dbraw/zinc/77/78/76/587777876.db2.gz QSBHXORXBCWCTH-SNVBAGLBSA-N 1 2 206.293 2.328 20 30 BEEDLO C#CCCCCC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836953841 587843405 /nfs/dbraw/zinc/84/34/05/587843405.db2.gz IDEJWDGUSHOPFF-RYUDHWBXSA-N 1 2 245.326 2.199 20 30 BEEDLO C=C[C@](C)(CC)C(=O)OCCc1c[nH+]cn1C ZINC000837658550 587888452 /nfs/dbraw/zinc/88/84/52/587888452.db2.gz NRUHLJNOYWFVTE-CYBMUJFWSA-N 1 2 236.315 2.108 20 30 BEEDLO CCC1(C/[NH+]=C/c2cc(OC)ccc2O)COC1 ZINC000840707907 587917145 /nfs/dbraw/zinc/91/71/45/587917145.db2.gz BBYQZDAUJXIDMF-VIZOYTHASA-N 1 2 249.310 2.246 20 30 BEEDLO C[C@@H](Cc1cnn(C)c1)/[NH+]=C\c1ccccc1O ZINC000840711292 587917817 /nfs/dbraw/zinc/91/78/17/587917817.db2.gz YCZWRXIUGRUQEM-GPILYODUSA-N 1 2 243.310 2.176 20 30 BEEDLO Oc1ccccc1/C=[NH+]/[C@@H]1CC12CCOCC2 ZINC000840709892 587917830 /nfs/dbraw/zinc/91/78/30/587917830.db2.gz OMMVEJOMYNFLIC-QQFZQELXSA-N 1 2 231.295 2.380 20 30 BEEDLO N#CC1(CO[NH+]=C(N)Cc2cccs2)CCC1 ZINC000842028720 587990403 /nfs/dbraw/zinc/99/04/03/587990403.db2.gz VHXYXBHGTINNJS-UHFFFAOYSA-N 1 2 249.339 2.483 20 30 BEEDLO C=CCCCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000842046382 587991575 /nfs/dbraw/zinc/99/15/75/587991575.db2.gz CKBFDQUPPFUIER-SNVBAGLBSA-N 1 2 212.293 2.020 20 30 BEEDLO CC[C@@H]1CCCC[C@@H]1C=[NH+]n1ccnn1 ZINC000842535635 588035562 /nfs/dbraw/zinc/03/55/62/588035562.db2.gz HSOHKUPTWWMNAK-GHMZBOCLSA-N 1 2 206.293 2.328 20 30 BEEDLO C=CCC(CC=C)c1nc(C[NH2+]CC)no1 ZINC000843144823 588087018 /nfs/dbraw/zinc/08/70/18/588087018.db2.gz KYCDMVJJQMWUSC-UHFFFAOYSA-N 1 2 221.304 2.415 20 30 BEEDLO CC[C@@H](C/[NH+]=C\c1ccccc1O)C(=O)OC ZINC000843262920 588096224 /nfs/dbraw/zinc/09/62/24/588096224.db2.gz GBUVCSBWOLZTDP-ADVUTCEVSA-N 1 2 235.283 2.010 20 30 BEEDLO C=C(C)CO[NH+]=Cc1cnc(N(C)C)s1 ZINC000844618771 588208577 /nfs/dbraw/zinc/20/85/77/588208577.db2.gz HBFHDBQWMXQTQC-UHFFFAOYSA-N 1 2 225.317 2.136 20 30 BEEDLO C#CC[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC000845480368 588230268 /nfs/dbraw/zinc/23/02/68/588230268.db2.gz AHJAPISAHUYSOF-CHWSQXEVSA-N 1 2 248.326 2.425 20 30 BEEDLO C=C[C@H](CC)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845506766 588231201 /nfs/dbraw/zinc/23/12/01/588231201.db2.gz UURJFMZKWMDSJX-GFCCVEGCSA-N 1 2 248.326 2.270 20 30 BEEDLO C#CCC(C)(C)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845509059 588231286 /nfs/dbraw/zinc/23/12/86/588231286.db2.gz ZOXAFDGUNJRECY-LBPRGKRZSA-N 1 2 248.326 2.427 20 30 BEEDLO C[C@H](CC(=O)OCC#CC(C)(C)C)n1cc[nH+]c1 ZINC000845554537 588233341 /nfs/dbraw/zinc/23/33/41/588233341.db2.gz LZMRBFAFMBMXEC-GFCCVEGCSA-N 1 2 248.326 2.427 20 30 BEEDLO COCC1(C/[NH+]=C/c2cccc(OC)c2O)CC1 ZINC000846757204 588286197 /nfs/dbraw/zinc/28/61/97/588286197.db2.gz VORYQHHXTOEKJA-OVCLIPMQSA-N 1 2 249.310 2.246 20 30 BEEDLO CC[N@H+](C[C@H](C)C#N)CC1(Br)CC1 ZINC000846790311 588288324 /nfs/dbraw/zinc/28/83/24/588288324.db2.gz RSIHYUNQVJDMET-SECBINFHSA-N 1 2 245.164 2.395 20 30 BEEDLO CC[N@@H+](C[C@H](C)C#N)CC1(Br)CC1 ZINC000846790311 588288325 /nfs/dbraw/zinc/28/83/25/588288325.db2.gz RSIHYUNQVJDMET-SECBINFHSA-N 1 2 245.164 2.395 20 30 BEEDLO CC#CC[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846928026 588297050 /nfs/dbraw/zinc/29/70/50/588297050.db2.gz XYYLJKRSIMILKR-UHFFFAOYSA-N 1 2 226.682 2.329 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846928026 588297051 /nfs/dbraw/zinc/29/70/51/588297051.db2.gz XYYLJKRSIMILKR-UHFFFAOYSA-N 1 2 226.682 2.329 20 30 BEEDLO C=CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC000847438781 588313013 /nfs/dbraw/zinc/31/30/13/588313013.db2.gz ORMFPBMPYFSWFK-LLVKDONJSA-N 1 2 235.331 2.011 20 30 BEEDLO C=CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC000847438781 588313015 /nfs/dbraw/zinc/31/30/15/588313015.db2.gz ORMFPBMPYFSWFK-LLVKDONJSA-N 1 2 235.331 2.011 20 30 BEEDLO Cc1cc(C=NNCCCn2cc[nH+]c2)cs1 ZINC000848416177 588381526 /nfs/dbraw/zinc/38/15/26/588381526.db2.gz BJOCLLIGOPSSAN-UHFFFAOYSA-N 1 2 248.355 2.267 20 30 BEEDLO CCC(=NNCCCn1cc[nH+]c1)[C@H]1C[C@H]1C ZINC000848416605 588381788 /nfs/dbraw/zinc/38/17/88/588381788.db2.gz QYRHMTQBDFLWNK-NEPJUHHUSA-N 1 2 234.347 2.285 20 30 BEEDLO CC1(C)CCCC1N=NCCCn1cc[nH+]c1 ZINC000848419020 588382429 /nfs/dbraw/zinc/38/24/29/588382429.db2.gz XHXAUFLKQIUMFB-UHFFFAOYSA-N 1 2 234.347 2.429 20 30 BEEDLO CC1CCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000848420011 588382911 /nfs/dbraw/zinc/38/29/11/588382911.db2.gz MQZRZVKXRLOAPA-UHFFFAOYSA-N 1 2 234.347 2.429 20 30 BEEDLO C=C(Cl)C[NH2+][C@H]1CCCn2ccnc21 ZINC000848533700 588393840 /nfs/dbraw/zinc/39/38/40/588393840.db2.gz MQLFQPFKPPJLBL-VIFPVBQESA-N 1 2 211.696 2.060 20 30 BEEDLO CC(C)(F)CC/[NH+]=C/c1ccc(O)c(O)c1O ZINC000849171612 588459894 /nfs/dbraw/zinc/45/98/94/588459894.db2.gz AWBZKFIUMXRGSZ-VGOFMYFVSA-N 1 2 241.262 2.361 20 30 BEEDLO C=CCOCCC/[NH+]=C/c1cccc(OC)c1O ZINC000849171984 588459944 /nfs/dbraw/zinc/45/99/44/588459944.db2.gz JSMNDPHSUOTRBO-RVDMUPIBSA-N 1 2 249.310 2.412 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851989448 588652545 /nfs/dbraw/zinc/65/25/45/588652545.db2.gz IKKUOAVXPCXGBH-SECBINFHSA-N 1 2 236.246 2.187 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851989448 588652546 /nfs/dbraw/zinc/65/25/46/588652546.db2.gz IKKUOAVXPCXGBH-SECBINFHSA-N 1 2 236.246 2.187 20 30 BEEDLO COC(CC[N@@H+]1CCCC(C)(C)[C@@H]1C#N)OC ZINC000851989333 588652611 /nfs/dbraw/zinc/65/26/11/588652611.db2.gz ULCFBVCMUVWIRQ-NSHDSACASA-N 1 2 240.347 2.010 20 30 BEEDLO COC(CC[N@H+]1CCCC(C)(C)[C@@H]1C#N)OC ZINC000851989333 588652612 /nfs/dbraw/zinc/65/26/12/588652612.db2.gz ULCFBVCMUVWIRQ-NSHDSACASA-N 1 2 240.347 2.010 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(-c2ccco2)o1 ZINC000852096645 588661752 /nfs/dbraw/zinc/66/17/52/588661752.db2.gz DLFZDIZOICAEJB-ZDUSSCGKSA-N 1 2 245.282 2.221 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2ccco2)no1 ZINC000852097707 588662147 /nfs/dbraw/zinc/66/21/47/588662147.db2.gz UYLGTTORGFZSBY-CYBMUJFWSA-N 1 2 245.282 2.221 20 30 BEEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC000852100399 588662835 /nfs/dbraw/zinc/66/28/35/588662835.db2.gz XEFMPBFXYHRPGO-NOZJJQNGSA-N 1 2 233.315 2.400 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1noc(C(C)C)n1 ZINC000852099887 588662886 /nfs/dbraw/zinc/66/28/86/588662886.db2.gz QYLXBSFPRGDKEY-GFCCVEGCSA-N 1 2 221.304 2.085 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1ncc(C2CC2)o1 ZINC000852100808 588663050 /nfs/dbraw/zinc/66/30/50/588663050.db2.gz JGINRTFRAXSQQL-ZDUSSCGKSA-N 1 2 218.300 2.444 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC000852102567 588663146 /nfs/dbraw/zinc/66/31/46/588663146.db2.gz ZFPDGWLJGXRTQS-JSGCOSHPSA-N 1 2 239.359 2.356 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000852103008 588663493 /nfs/dbraw/zinc/66/34/93/588663493.db2.gz VXJQXFOSHJLWCX-CYBMUJFWSA-N 1 2 245.282 2.221 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc(F)n1 ZINC000852157495 588667875 /nfs/dbraw/zinc/66/78/75/588667875.db2.gz ZXFQEGQWIPJOFS-VIFPVBQESA-N 1 2 207.252 2.003 20 30 BEEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCCF)C1 ZINC000852331390 588678813 /nfs/dbraw/zinc/67/88/13/588678813.db2.gz YDSVVTODDOBUAV-CQSZACIVSA-N 1 2 247.317 2.298 20 30 BEEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCCF)C1 ZINC000852331390 588678814 /nfs/dbraw/zinc/67/88/14/588678814.db2.gz YDSVVTODDOBUAV-CQSZACIVSA-N 1 2 247.317 2.298 20 30 BEEDLO C=CC[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000852410685 588681488 /nfs/dbraw/zinc/68/14/88/588681488.db2.gz PJVNLDVWWXYSFD-SNVBAGLBSA-N 1 2 223.345 2.326 20 30 BEEDLO C=CC[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000852410685 588681489 /nfs/dbraw/zinc/68/14/89/588681489.db2.gz PJVNLDVWWXYSFD-SNVBAGLBSA-N 1 2 223.345 2.326 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000852684867 588695809 /nfs/dbraw/zinc/69/58/09/588695809.db2.gz PTHOOXSNSLYZBJ-UONOGXRCSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000852684867 588695810 /nfs/dbraw/zinc/69/58/10/588695810.db2.gz PTHOOXSNSLYZBJ-UONOGXRCSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000852684868 588695842 /nfs/dbraw/zinc/69/58/42/588695842.db2.gz PTHOOXSNSLYZBJ-ZIAGYGMSSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000852684868 588695843 /nfs/dbraw/zinc/69/58/43/588695843.db2.gz PTHOOXSNSLYZBJ-ZIAGYGMSSA-N 1 2 248.301 2.095 20 30 BEEDLO C=CC[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000860900073 589128388 /nfs/dbraw/zinc/12/83/88/589128388.db2.gz XEHXLHOCDPFTOJ-QWRGUYRKSA-N 1 2 222.288 2.342 20 30 BEEDLO Cc1c(F)nccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000862419239 589211816 /nfs/dbraw/zinc/21/18/16/589211816.db2.gz PIFIDECFWPGELJ-ZDUSSCGKSA-N 1 2 233.290 2.265 20 30 BEEDLO Cc1c(F)nccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000862419239 589211818 /nfs/dbraw/zinc/21/18/18/589211818.db2.gz PIFIDECFWPGELJ-ZDUSSCGKSA-N 1 2 233.290 2.265 20 30 BEEDLO C#Cc1ccc(C[NH+]2CC3(C2)CCCO3)cc1 ZINC000862484124 589217018 /nfs/dbraw/zinc/21/70/18/589217018.db2.gz DBGMZTUCVHSPGI-UHFFFAOYSA-N 1 2 227.307 2.033 20 30 BEEDLO COc1cccc2c1CCC(=[NH+]n1cccn1)C2 ZINC000863164400 589266792 /nfs/dbraw/zinc/26/67/92/589266792.db2.gz IZNCTMLTFBVNEA-UHFFFAOYSA-N 1 2 241.294 2.285 20 30 BEEDLO CC(C)[C@H]1CC(=[NH+]n2cccn2)CS1 ZINC000863164043 589266920 /nfs/dbraw/zinc/26/69/20/589266920.db2.gz XZAVYVPBAMBWPC-SNVBAGLBSA-N 1 2 209.318 2.249 20 30 BEEDLO C[N@H+](Cc1ccc(F)cn1)[C@H]1CCC[C@H]1C#N ZINC000864053256 589335948 /nfs/dbraw/zinc/33/59/48/589335948.db2.gz HQMHMBJMFOMBNQ-GWCFXTLKSA-N 1 2 233.290 2.345 20 30 BEEDLO C[N@@H+](Cc1ccc(F)cn1)[C@H]1CCC[C@H]1C#N ZINC000864053256 589335950 /nfs/dbraw/zinc/33/59/50/589335950.db2.gz HQMHMBJMFOMBNQ-GWCFXTLKSA-N 1 2 233.290 2.345 20 30 BEEDLO C=C[C@@H](C)Nc1cc(NCCC)[nH+]cn1 ZINC000865606856 589450119 /nfs/dbraw/zinc/45/01/19/589450119.db2.gz KOHFSJKZUXHAGM-SECBINFHSA-N 1 2 206.293 2.285 20 30 BEEDLO C=C[C@@H](C)Nc1cc(NCCC)nc[nH+]1 ZINC000865606856 589450121 /nfs/dbraw/zinc/45/01/21/589450121.db2.gz KOHFSJKZUXHAGM-SECBINFHSA-N 1 2 206.293 2.285 20 30 BEEDLO N#CCCCNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865671354 589455424 /nfs/dbraw/zinc/45/54/24/589455424.db2.gz ZMSKMEWRCIMAEY-UHFFFAOYSA-N 1 2 235.678 2.327 20 30 BEEDLO C=CCCCNc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865735462 589459417 /nfs/dbraw/zinc/45/94/17/589459417.db2.gz NJKXLNFFFUDJOF-UHFFFAOYSA-N 1 2 247.346 2.490 20 30 BEEDLO C=CCCCNc1nc(N)nc(C2CCCC2)[nH+]1 ZINC000865735462 589459418 /nfs/dbraw/zinc/45/94/18/589459418.db2.gz NJKXLNFFFUDJOF-UHFFFAOYSA-N 1 2 247.346 2.490 20 30 BEEDLO N#CC1(CNc2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865751851 589460746 /nfs/dbraw/zinc/46/07/46/589460746.db2.gz BRIRXBFREUSINW-UHFFFAOYSA-N 1 2 241.216 2.238 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1CNc1ccc([C@@H](C)O)c[nH+]1 ZINC000865890909 589467530 /nfs/dbraw/zinc/46/75/30/589467530.db2.gz ZPGKAXSUTRPGLD-WXHSDQCUSA-N 1 2 248.326 2.138 20 30 BEEDLO COCCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866234030 589481879 /nfs/dbraw/zinc/48/18/79/589481879.db2.gz JZWKZEZARPGOGV-LLVKDONJSA-N 1 2 248.326 2.341 20 30 BEEDLO C[C@@H]([NH2+]CCCF)c1cccc(C#N)c1O ZINC000866306524 589485387 /nfs/dbraw/zinc/48/53/87/589485387.db2.gz IRXUODYSKHUSQC-SECBINFHSA-N 1 2 222.263 2.274 20 30 BEEDLO C[C@H]([NH2+]CCCCCO)c1cccc(C#N)c1O ZINC000866351169 589487786 /nfs/dbraw/zinc/48/77/86/589487786.db2.gz GUUJRJFOMZETBA-NSHDSACASA-N 1 2 248.326 2.077 20 30 BEEDLO CC[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)OC ZINC000866360967 589487996 /nfs/dbraw/zinc/48/79/96/589487996.db2.gz IRZYMRCIAABEDG-JQWIXIFHSA-N 1 2 248.326 2.339 20 30 BEEDLO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866361626 589488128 /nfs/dbraw/zinc/48/81/28/589488128.db2.gz QXDJLDFVKIRRRI-MXWKQRLJSA-N 1 2 248.326 2.338 20 30 BEEDLO C[C@H]([NH2+][C@@H]1CC12CC2)c1cccc(C#N)c1O ZINC000866379735 589488951 /nfs/dbraw/zinc/48/89/51/589488951.db2.gz RRURETNWEGKFCX-JOYOIKCWSA-N 1 2 228.295 2.467 20 30 BEEDLO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc(C#N)c1O ZINC000866380797 589489066 /nfs/dbraw/zinc/48/90/66/589489066.db2.gz DSHBORHAJTVZPE-JFGNBEQYSA-N 1 2 246.310 2.092 20 30 BEEDLO C=CCCC(C)(C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000870282784 589655169 /nfs/dbraw/zinc/65/51/69/589655169.db2.gz ADKOYVHREHEANN-UHFFFAOYSA-N 1 2 235.331 2.061 20 30 BEEDLO C=C[C@H]([NH2+]CCC[C@@H]1C=CCC1)C(=O)OC ZINC000871931784 589833968 /nfs/dbraw/zinc/83/39/68/589833968.db2.gz KVQWKRYJNNSCFL-NEPJUHHUSA-N 1 2 223.316 2.050 20 30 BEEDLO c1cnn([NH+]=C(C2CCC2)[C@H]2CCCO2)c1 ZINC000872392892 589931616 /nfs/dbraw/zinc/93/16/16/589931616.db2.gz BTWGBHKZHYKXGJ-LLVKDONJSA-N 1 2 219.288 2.066 20 30 BEEDLO CN(C)c1c(C=[NH+]N2CCC2)ccc(F)c1F ZINC000872398806 589935022 /nfs/dbraw/zinc/93/50/22/589935022.db2.gz IPJCJHGLSAYFIU-UHFFFAOYSA-N 1 2 239.269 2.070 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(F)ccc1N(C)C ZINC000876617162 590222486 /nfs/dbraw/zinc/22/24/86/590222486.db2.gz GWIFEBLPCXOPGU-LLVKDONJSA-N 1 2 249.333 2.483 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(F)ccc1N(C)C ZINC000876617162 590222487 /nfs/dbraw/zinc/22/24/87/590222487.db2.gz GWIFEBLPCXOPGU-LLVKDONJSA-N 1 2 249.333 2.483 20 30 BEEDLO CC(C)C1(C[N@@H+]2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000876733968 590234044 /nfs/dbraw/zinc/23/40/44/590234044.db2.gz MDDLCTSJQZULGV-CQSZACIVSA-N 1 2 247.386 2.095 20 30 BEEDLO CC(C)C1(C[N@H+]2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000876733968 590234046 /nfs/dbraw/zinc/23/40/46/590234046.db2.gz MDDLCTSJQZULGV-CQSZACIVSA-N 1 2 247.386 2.095 20 30 BEEDLO CCOc1cccc(F)c1C[NH2+]C[C@@H](C)C#N ZINC000877321482 590315977 /nfs/dbraw/zinc/31/59/77/590315977.db2.gz MDHOONFWPRYJIF-JTQLQIEISA-N 1 2 236.290 2.474 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877322358 590316983 /nfs/dbraw/zinc/31/69/83/590316983.db2.gz DRMPPPFPCXBQBV-UHFFFAOYSA-N 1 2 248.717 2.246 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877363604 590318975 /nfs/dbraw/zinc/31/89/75/590318975.db2.gz GIKVGLPZTXWLPC-NSHDSACASA-N 1 2 248.717 2.389 20 30 BEEDLO CSC(C)(C)CC[N@H+]1CC[C@](F)(C#N)C1 ZINC000877463922 590332469 /nfs/dbraw/zinc/33/24/69/590332469.db2.gz FTOOOIQIAJSHNT-NSHDSACASA-N 1 2 230.352 2.456 20 30 BEEDLO CSC(C)(C)CC[N@@H+]1CC[C@](F)(C#N)C1 ZINC000877463922 590332467 /nfs/dbraw/zinc/33/24/67/590332467.db2.gz FTOOOIQIAJSHNT-NSHDSACASA-N 1 2 230.352 2.456 20 30 BEEDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC#N ZINC000877483080 590338094 /nfs/dbraw/zinc/33/80/94/590338094.db2.gz JMKHNKJKNYISIY-UHFFFAOYSA-N 1 2 233.271 2.215 20 30 BEEDLO COc1c(C)c[nH+]c(CNCC2(C#N)CC2)c1C ZINC000877493209 590340857 /nfs/dbraw/zinc/34/08/57/590340857.db2.gz ARQWGBLFCSVKTN-UHFFFAOYSA-N 1 2 245.326 2.100 20 30 BEEDLO COc1c(C)cnc(C[NH2+]CC2(C#N)CC2)c1C ZINC000877493209 590340859 /nfs/dbraw/zinc/34/08/59/590340859.db2.gz ARQWGBLFCSVKTN-UHFFFAOYSA-N 1 2 245.326 2.100 20 30 BEEDLO N#Cc1cnc(Cl)c(C[NH+]2CC(C3CC3)C2)c1 ZINC000877541353 590351771 /nfs/dbraw/zinc/35/17/71/590351771.db2.gz HIGKEOYPWIPQPA-UHFFFAOYSA-N 1 2 247.729 2.448 20 30 BEEDLO Cc1c(C[NH+]2CC(CC#N)C2)cccc1[N+](=O)[O-] ZINC000877624606 590376699 /nfs/dbraw/zinc/37/66/99/590376699.db2.gz FHESJTMPYLVPOK-UHFFFAOYSA-N 1 2 245.282 2.249 20 30 BEEDLO C#CCCCCCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000877625126 590377428 /nfs/dbraw/zinc/37/74/28/590377428.db2.gz WCOYEOOKXHJERR-GFCCVEGCSA-N 1 2 245.313 2.272 20 30 BEEDLO C#CCCCCCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000877625126 590377431 /nfs/dbraw/zinc/37/74/31/590377431.db2.gz WCOYEOOKXHJERR-GFCCVEGCSA-N 1 2 245.313 2.272 20 30 BEEDLO C#CC[N@@H+](CC(C)=O)[C@@H]1CCc2ccccc21 ZINC000877991499 590468134 /nfs/dbraw/zinc/46/81/34/590468134.db2.gz QUHCKYHABVJLFF-OAHLLOKOSA-N 1 2 227.307 2.198 20 30 BEEDLO C#CC[N@H+](CC(C)=O)[C@@H]1CCc2ccccc21 ZINC000877991499 590468136 /nfs/dbraw/zinc/46/81/36/590468136.db2.gz QUHCKYHABVJLFF-OAHLLOKOSA-N 1 2 227.307 2.198 20 30 BEEDLO C#CC[N@@H+](CC)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000878167868 590513761 /nfs/dbraw/zinc/51/37/61/590513761.db2.gz ZWEOWFPZQDUEAT-LBPRGKRZSA-N 1 2 237.343 2.062 20 30 BEEDLO C#CC[N@H+](CC)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000878167868 590513763 /nfs/dbraw/zinc/51/37/63/590513763.db2.gz ZWEOWFPZQDUEAT-LBPRGKRZSA-N 1 2 237.343 2.062 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1nc(C2CCC2)no1 ZINC000878660083 590604551 /nfs/dbraw/zinc/60/45/51/590604551.db2.gz DGNLQEDHCACNEE-ZDUSSCGKSA-N 1 2 233.315 2.229 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000878705533 590613057 /nfs/dbraw/zinc/61/30/57/590613057.db2.gz ZNFVIEADKMUZPK-NWDGAFQWSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000878705533 590613058 /nfs/dbraw/zinc/61/30/58/590613058.db2.gz ZNFVIEADKMUZPK-NWDGAFQWSA-N 1 2 243.297 2.146 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCC=C(Cl)C2)o1 ZINC000878789766 590621454 /nfs/dbraw/zinc/62/14/54/590621454.db2.gz CQKQTUUXUQFRDT-UHFFFAOYSA-N 1 2 222.675 2.480 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCC=C(Cl)C2)o1 ZINC000878789766 590621455 /nfs/dbraw/zinc/62/14/55/590621455.db2.gz CQKQTUUXUQFRDT-UHFFFAOYSA-N 1 2 222.675 2.480 20 30 BEEDLO C[C@@H](CC#N)[NH2+]Cc1ccnc(Cl)c1 ZINC000878816855 590627071 /nfs/dbraw/zinc/62/70/71/590627071.db2.gz MFUQOQBPQRIMLO-QMMMGPOBSA-N 1 2 209.680 2.127 20 30 BEEDLO C#C[C@H]1CCC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000878844229 590632000 /nfs/dbraw/zinc/63/20/00/590632000.db2.gz UFEAHUJULWUCER-LBPRGKRZSA-N 1 2 245.297 2.354 20 30 BEEDLO C#C[C@H]1CCC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000878844229 590632002 /nfs/dbraw/zinc/63/20/02/590632002.db2.gz UFEAHUJULWUCER-LBPRGKRZSA-N 1 2 245.297 2.354 20 30 BEEDLO C=CC[C@@H]([NH2+]C1(CC(C)C)CC1)C(=O)OC ZINC000878994551 590672673 /nfs/dbraw/zinc/67/26/73/590672673.db2.gz UDNSYPAYHMIVOI-LLVKDONJSA-N 1 2 225.332 2.272 20 30 BEEDLO C#CCCCCC[N@@H+](C)Cc1cn[nH]c1C ZINC000879188917 590712050 /nfs/dbraw/zinc/71/20/50/590712050.db2.gz SRWFQMHJVGJJNM-UHFFFAOYSA-N 1 2 219.332 2.344 20 30 BEEDLO C#CCCCCC[N@H+](C)Cc1cn[nH]c1C ZINC000879188917 590712053 /nfs/dbraw/zinc/71/20/53/590712053.db2.gz SRWFQMHJVGJJNM-UHFFFAOYSA-N 1 2 219.332 2.344 20 30 BEEDLO CC#CCC[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879500230 590782892 /nfs/dbraw/zinc/78/28/92/590782892.db2.gz ACZACGFAQQLNPB-SNVBAGLBSA-N 1 2 235.249 2.053 20 30 BEEDLO CC#CCC[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000879500230 590782900 /nfs/dbraw/zinc/78/29/00/590782900.db2.gz ACZACGFAQQLNPB-SNVBAGLBSA-N 1 2 235.249 2.053 20 30 BEEDLO C=CC[N@@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879630163 590839534 /nfs/dbraw/zinc/83/95/34/590839534.db2.gz BLCRKFFBDRDRIK-AWEZNQCLSA-N 1 2 233.311 2.255 20 30 BEEDLO C=CC[N@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879630163 590839536 /nfs/dbraw/zinc/83/95/36/590839536.db2.gz BLCRKFFBDRDRIK-AWEZNQCLSA-N 1 2 233.311 2.255 20 30 BEEDLO C=CC[N@@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879630164 590840217 /nfs/dbraw/zinc/84/02/17/590840217.db2.gz BLCRKFFBDRDRIK-CQSZACIVSA-N 1 2 233.311 2.255 20 30 BEEDLO C=CC[N@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879630164 590840220 /nfs/dbraw/zinc/84/02/20/590840220.db2.gz BLCRKFFBDRDRIK-CQSZACIVSA-N 1 2 233.311 2.255 20 30 BEEDLO CC#CC[N@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879735891 590857913 /nfs/dbraw/zinc/85/79/13/590857913.db2.gz CJSNBZMMTFBSGY-HNNXBMFYSA-N 1 2 245.322 2.092 20 30 BEEDLO CC#CC[N@@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879735891 590857916 /nfs/dbraw/zinc/85/79/16/590857916.db2.gz CJSNBZMMTFBSGY-HNNXBMFYSA-N 1 2 245.322 2.092 20 30 BEEDLO C=C(CC)C[NH2+][C@H](CC1CC1)C(=O)OCC ZINC000879983111 590903522 /nfs/dbraw/zinc/90/35/22/590903522.db2.gz UEQPWBUZVQKPEO-GFCCVEGCSA-N 1 2 225.332 2.274 20 30 BEEDLO C=C(CC)C[NH2+][C@@H](CC1CC1)C(=O)OCC ZINC000879983112 590904354 /nfs/dbraw/zinc/90/43/54/590904354.db2.gz UEQPWBUZVQKPEO-LBPRGKRZSA-N 1 2 225.332 2.274 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](CF)C2)n1 ZINC000880237301 590967958 /nfs/dbraw/zinc/96/79/58/590967958.db2.gz AOMXNNJYHJUGRS-VIFPVBQESA-N 1 2 239.319 2.196 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](CF)C2)n1 ZINC000880237301 590967960 /nfs/dbraw/zinc/96/79/60/590967960.db2.gz AOMXNNJYHJUGRS-VIFPVBQESA-N 1 2 239.319 2.196 20 30 BEEDLO C=CCSCCNc1nc[nH+]c(C)c1C ZINC000881859415 591275415 /nfs/dbraw/zinc/27/54/15/591275415.db2.gz WFYINATVBSABEV-UHFFFAOYSA-N 1 2 223.345 2.425 20 30 BEEDLO C#CC[C@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000884594213 591991025 /nfs/dbraw/zinc/99/10/25/591991025.db2.gz CGHCJENLOKSDAB-LBPRGKRZSA-N 1 2 239.322 2.423 20 30 BEEDLO N#CC[N@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000887037224 592428267 /nfs/dbraw/zinc/42/82/67/592428267.db2.gz XLOLPMAYMCPNFR-CYBMUJFWSA-N 1 2 236.359 2.450 20 30 BEEDLO N#CC[N@@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000887037224 592428272 /nfs/dbraw/zinc/42/82/72/592428272.db2.gz XLOLPMAYMCPNFR-CYBMUJFWSA-N 1 2 236.359 2.450 20 30 BEEDLO Oc1ccc(/C=[NH+]\C[C@H]2C=CCC2)c(O)c1O ZINC000887268326 592473482 /nfs/dbraw/zinc/47/34/82/592473482.db2.gz JADFVRIDGBVJAE-JNNKLVPLSA-N 1 2 233.267 2.189 20 30 BEEDLO Oc1ccc(/C=[NH+]/C[C@@H]2C=CCC2)c(O)c1O ZINC000887268327 592473626 /nfs/dbraw/zinc/47/36/26/592473626.db2.gz JADFVRIDGBVJAE-MBBDXHFBSA-N 1 2 233.267 2.189 20 30 BEEDLO COC[C@H]1C[C@@H](/[NH+]=C/c2cccc(OC)c2O)C1 ZINC000887271059 592474090 /nfs/dbraw/zinc/47/40/90/592474090.db2.gz ZCGOPSAQPFQQEO-MSTGYCADSA-N 1 2 249.310 2.245 20 30 BEEDLO CC(C)c1ncc(C[NH2+]CCC#N)s1 ZINC000336655491 635200197 /nfs/dbraw/zinc/20/01/97/635200197.db2.gz NYBXNDPADCSHSJ-UHFFFAOYSA-N 1 2 209.318 2.270 20 30 BEEDLO CC[C@H]([NH2+]C[C@@H](C)OC)c1cccc(C#N)c1O ZINC000926244349 631494227 /nfs/dbraw/zinc/49/42/27/631494227.db2.gz JCCIHIRJNGWJBF-MFKMUULPSA-N 1 2 248.326 2.339 20 30 BEEDLO N#CC1CC[NH+](Cc2ccnn2C2CCC2)CC1 ZINC000891851663 631522078 /nfs/dbraw/zinc/52/20/78/631522078.db2.gz AQPFIFHRXNSSKW-UHFFFAOYSA-N 1 2 244.342 2.344 20 30 BEEDLO COc1cc2c(c(C[NH2+]CCC#N)c1)O[C@H](C)C2 ZINC000425958513 635654900 /nfs/dbraw/zinc/65/49/00/635654900.db2.gz GQVSGLYVJNTJFJ-SNVBAGLBSA-N 1 2 246.310 2.022 20 30 BEEDLO CC(C)(C)OCCO[NH+]=C(N)c1ccccc1 ZINC000065233476 631671668 /nfs/dbraw/zinc/67/16/68/631671668.db2.gz VQUZOIYLMBAXSK-UHFFFAOYSA-N 1 2 236.315 2.139 20 30 BEEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1cncs1 ZINC000934194503 631725529 /nfs/dbraw/zinc/72/55/29/631725529.db2.gz XOUJKFIQKSUGCE-SECBINFHSA-N 1 2 244.323 2.261 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000934461162 631855978 /nfs/dbraw/zinc/85/59/78/631855978.db2.gz WCTGAQYAAOVDHW-GFCCVEGCSA-N 1 2 234.347 2.184 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000934461162 631855982 /nfs/dbraw/zinc/85/59/82/631855982.db2.gz WCTGAQYAAOVDHW-GFCCVEGCSA-N 1 2 234.347 2.184 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1ncc(C)s1 ZINC000934514568 631895736 /nfs/dbraw/zinc/89/57/36/631895736.db2.gz KCEHIDSIQUNARV-LLVKDONJSA-N 1 2 220.341 2.439 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1ncc(C)s1 ZINC000934514568 631895739 /nfs/dbraw/zinc/89/57/39/631895739.db2.gz KCEHIDSIQUNARV-LLVKDONJSA-N 1 2 220.341 2.439 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1ccc(F)cn1 ZINC000934516628 631896725 /nfs/dbraw/zinc/89/67/25/631896725.db2.gz NCTWRMWOULYPAV-ZDUSSCGKSA-N 1 2 218.275 2.208 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cn1 ZINC000934516628 631896726 /nfs/dbraw/zinc/89/67/26/631896726.db2.gz NCTWRMWOULYPAV-ZDUSSCGKSA-N 1 2 218.275 2.208 20 30 BEEDLO N#Cc1cc(C[NH2+]CC2(C#N)CC2)cs1 ZINC000894202945 635746824 /nfs/dbraw/zinc/74/68/24/635746824.db2.gz CLYZYIOJVNHJBN-UHFFFAOYSA-N 1 2 217.297 2.013 20 30 BEEDLO C#C[C@H](C)[NH2+]Cc1occc1Br ZINC000235517086 632775574 /nfs/dbraw/zinc/77/55/74/632775574.db2.gz BJUARYSJOOSASA-ZETCQYMHSA-N 1 2 228.089 2.153 20 30 BEEDLO C#C[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180779650 633051893 /nfs/dbraw/zinc/05/18/93/633051893.db2.gz XTMBAEDSHRIQDB-LLVKDONJSA-N 1 2 240.262 2.051 20 30 BEEDLO C=C1CCC(C(=O)OCc2c[nH+]cn2C)CC1 ZINC000892777155 633226394 /nfs/dbraw/zinc/22/63/94/633226394.db2.gz RKAHBCGGWJHIJN-UHFFFAOYSA-N 1 2 234.299 2.210 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cc(O)cc(F)c1 ZINC000926874335 633759741 /nfs/dbraw/zinc/75/97/41/633759741.db2.gz PBNUFVTVUUCMEN-VIFPVBQESA-N 1 2 234.274 2.486 20 30 BEEDLO CC[C@@H]([NH2+][C@@H]1CCOC1)c1cccc(C#N)c1O ZINC000925619004 634172027 /nfs/dbraw/zinc/17/20/27/634172027.db2.gz ZGIRMEQFQBSEOO-DGCLKSJQSA-N 1 2 246.310 2.093 20 30 BEEDLO N#CCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000336711196 635221169 /nfs/dbraw/zinc/22/11/69/635221169.db2.gz SCVJHIVKJCHQHM-UHFFFAOYSA-N 1 2 233.296 2.406 20 30 BEEDLO C=C(C)C[N@@H+](C)CC(=C)Br ZINC000181289197 636042886 /nfs/dbraw/zinc/04/28/86/636042886.db2.gz HRKCRYXLLGMREF-UHFFFAOYSA-N 1 2 204.111 2.403 20 30 BEEDLO C=C(C)C[N@H+](C)CC(=C)Br ZINC000181289197 636042888 /nfs/dbraw/zinc/04/28/88/636042888.db2.gz HRKCRYXLLGMREF-UHFFFAOYSA-N 1 2 204.111 2.403 20 30 BEEDLO C#C[C@H]1CCCCN1c1cc(CC)[nH+]c(C)n1 ZINC000897360578 636423092 /nfs/dbraw/zinc/42/30/92/636423092.db2.gz KORUBZSAKJDTNM-ZDUSSCGKSA-N 1 2 229.327 2.340 20 30 BEEDLO C=CC(C)(C)CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898912828 637065788 /nfs/dbraw/zinc/06/57/88/637065788.db2.gz QMFGVGIGQLWERZ-UHFFFAOYSA-N 1 2 249.358 2.337 20 30 BEEDLO Cc1cc(C)c(C(=O)N[C@@H](C#N)C(C)C)c(C)[nH+]1 ZINC000904525344 637430589 /nfs/dbraw/zinc/43/05/89/637430589.db2.gz WWODAKRWPXTFNP-LBPRGKRZSA-N 1 2 245.326 2.285 20 30 BEEDLO C=CC[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000905193597 637671079 /nfs/dbraw/zinc/67/10/79/637671079.db2.gz CMSJGNREEXZIFB-CQSZACIVSA-N 1 2 209.314 2.133 20 30 BEEDLO C=CC[C@@H]([NH2+]CCCc1ccccc1)C(=O)OC ZINC000905748672 637897723 /nfs/dbraw/zinc/89/77/23/637897723.db2.gz XQSQLYYXXNKZFP-CQSZACIVSA-N 1 2 247.338 2.327 20 30 BEEDLO C=CCSCC[NH2+][C@H](C(=O)OC)[C@H](C)CC ZINC000905761101 637916872 /nfs/dbraw/zinc/91/68/72/637916872.db2.gz DPFWXGYKNBPJGE-MNOVXSKESA-N 1 2 245.388 2.083 20 30 BEEDLO CC[C@@H](C#N)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906007336 638019953 /nfs/dbraw/zinc/01/99/53/638019953.db2.gz QKFAGHMTVDPEBA-LBPRGKRZSA-N 1 2 245.326 2.381 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(C2CC2)nn1 ZINC000906299670 638137502 /nfs/dbraw/zinc/13/75/02/638137502.db2.gz SOOMIDKUOGGLMY-GFCCVEGCSA-N 1 2 232.331 2.154 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cn(C2CC2)nn1 ZINC000906299670 638137506 /nfs/dbraw/zinc/13/75/06/638137506.db2.gz SOOMIDKUOGGLMY-GFCCVEGCSA-N 1 2 232.331 2.154 20 30 BEEDLO CC1(C#N)C[NH+](CC2CCC(C#N)CC2)C1 ZINC000930301451 639691104 /nfs/dbraw/zinc/69/11/04/639691104.db2.gz WDJNSKCHLVSPLZ-UHFFFAOYSA-N 1 2 217.316 2.162 20 30 BEEDLO C=CC[C@@H]1CCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC000930626644 639830473 /nfs/dbraw/zinc/83/04/73/639830473.db2.gz NTNWZLCQCWVZJR-GFCCVEGCSA-N 1 2 245.326 2.303 20 30 BEEDLO C=CC(C)(C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000930628481 639830780 /nfs/dbraw/zinc/83/07/80/639830780.db2.gz XIYIRWCVPPOMMR-UHFFFAOYSA-N 1 2 233.315 2.206 20 30 BEEDLO C[C@@H](c1ncccn1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000930922918 639990972 /nfs/dbraw/zinc/99/09/72/639990972.db2.gz LTOZAUNXVVJNSO-NWDGAFQWSA-N 1 2 230.315 2.163 20 30 BEEDLO C[C@@H](c1ncccn1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000930922918 639990976 /nfs/dbraw/zinc/99/09/76/639990976.db2.gz LTOZAUNXVVJNSO-NWDGAFQWSA-N 1 2 230.315 2.163 20 30 BEEDLO COC[C@H](C[N@H+]([C@H](C)C#N)C1CC1)C(C)C ZINC000930974347 640010496 /nfs/dbraw/zinc/01/04/96/640010496.db2.gz VNQIUYCUWAJSOB-NEPJUHHUSA-N 1 2 224.348 2.281 20 30 BEEDLO COC[C@H](C[N@@H+]([C@H](C)C#N)C1CC1)C(C)C ZINC000930974347 640010501 /nfs/dbraw/zinc/01/05/01/640010501.db2.gz VNQIUYCUWAJSOB-NEPJUHHUSA-N 1 2 224.348 2.281 20 30 BEEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000912281874 640015185 /nfs/dbraw/zinc/01/51/85/640015185.db2.gz RZGDFZGGJOYALR-YPMHNXCESA-N 1 2 247.342 2.203 20 30 BEEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000912281872 640015993 /nfs/dbraw/zinc/01/59/93/640015993.db2.gz RZGDFZGGJOYALR-DGCLKSJQSA-N 1 2 247.342 2.203 20 30 BEEDLO CC[N@H+](C[C@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)C#N ZINC000931055545 640043676 /nfs/dbraw/zinc/04/36/76/640043676.db2.gz CJEQADQLUWFCQB-WUHRBBMRSA-N 1 2 224.348 2.424 20 30 BEEDLO CC[N@@H+](C[C@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)C#N ZINC000931055545 640043681 /nfs/dbraw/zinc/04/36/81/640043681.db2.gz CJEQADQLUWFCQB-WUHRBBMRSA-N 1 2 224.348 2.424 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c(C)nn1 ZINC000931476821 640231774 /nfs/dbraw/zinc/23/17/74/640231774.db2.gz RQWSGGKMHPHAIT-OCCSQVGLSA-N 1 2 244.342 2.218 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c(C)nn1 ZINC000931476821 640231783 /nfs/dbraw/zinc/23/17/83/640231783.db2.gz RQWSGGKMHPHAIT-OCCSQVGLSA-N 1 2 244.342 2.218 20 30 BEEDLO CN(C)c1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000932148131 640440685 /nfs/dbraw/zinc/44/06/85/640440685.db2.gz KQWMMIYMFRGTTP-CQSZACIVSA-N 1 2 243.354 2.488 20 30 BEEDLO CN(C)c1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000932148131 640440688 /nfs/dbraw/zinc/44/06/88/640440688.db2.gz KQWMMIYMFRGTTP-CQSZACIVSA-N 1 2 243.354 2.488 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932259877 640459482 /nfs/dbraw/zinc/45/94/82/640459482.db2.gz BACMOVPCPYNLPZ-NSHDSACASA-N 1 2 225.723 2.310 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932259877 640459486 /nfs/dbraw/zinc/45/94/86/640459486.db2.gz BACMOVPCPYNLPZ-NSHDSACASA-N 1 2 225.723 2.310 20 30 BEEDLO C#CC[N@H+](Cc1coc(C2CC2)n1)C(C)C ZINC000932382853 640505272 /nfs/dbraw/zinc/50/52/72/640505272.db2.gz CFSXEWZBFRRWEO-UHFFFAOYSA-N 1 2 218.300 2.396 20 30 BEEDLO C#CC[N@@H+](Cc1coc(C2CC2)n1)C(C)C ZINC000932382853 640505282 /nfs/dbraw/zinc/50/52/82/640505282.db2.gz CFSXEWZBFRRWEO-UHFFFAOYSA-N 1 2 218.300 2.396 20 30 BEEDLO C#CC[N@H+](Cc1ccncc1F)C(C)C ZINC000932387299 640515878 /nfs/dbraw/zinc/51/58/78/640515878.db2.gz FUWFLSNLIWWSQU-UHFFFAOYSA-N 1 2 206.264 2.064 20 30 BEEDLO C#CC[N@@H+](Cc1ccncc1F)C(C)C ZINC000932387299 640515883 /nfs/dbraw/zinc/51/58/83/640515883.db2.gz FUWFLSNLIWWSQU-UHFFFAOYSA-N 1 2 206.264 2.064 20 30 BEEDLO C#CC[N@H+](CC(=O)c1cc(C)n(C)c1C)C(C)C ZINC000932391930 640518616 /nfs/dbraw/zinc/51/86/16/640518616.db2.gz SQOXZTZQWZDOAB-UHFFFAOYSA-N 1 2 246.354 2.168 20 30 BEEDLO C#CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)C(C)C ZINC000932391930 640518622 /nfs/dbraw/zinc/51/86/22/640518622.db2.gz SQOXZTZQWZDOAB-UHFFFAOYSA-N 1 2 246.354 2.168 20 30 BEEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932432920 640527741 /nfs/dbraw/zinc/52/77/41/640527741.db2.gz MMORGFXXGSMOCI-SNVBAGLBSA-N 1 2 244.766 2.118 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932432920 640527743 /nfs/dbraw/zinc/52/77/43/640527743.db2.gz MMORGFXXGSMOCI-SNVBAGLBSA-N 1 2 244.766 2.118 20 30 BEEDLO C#CC[N@@H+](Cc1nccc(C)n1)C(C)(C)C ZINC000932462715 640534685 /nfs/dbraw/zinc/53/46/85/640534685.db2.gz DAEMPXCRGGUFNG-UHFFFAOYSA-N 1 2 217.316 2.019 20 30 BEEDLO C#CC[N@H+](Cc1nccc(C)n1)C(C)(C)C ZINC000932462715 640534689 /nfs/dbraw/zinc/53/46/89/640534689.db2.gz DAEMPXCRGGUFNG-UHFFFAOYSA-N 1 2 217.316 2.019 20 30 BEEDLO CCO[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000932976702 640661192 /nfs/dbraw/zinc/66/11/92/640661192.db2.gz GBVNPCQYXFRORU-AWEZNQCLSA-N 1 2 248.301 2.308 20 30 BEEDLO CCO[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000932976702 640661197 /nfs/dbraw/zinc/66/11/97/640661197.db2.gz GBVNPCQYXFRORU-AWEZNQCLSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@]1([NH2+]CCC#N)CCOc2ccccc21 ZINC000933368240 640709774 /nfs/dbraw/zinc/70/97/74/640709774.db2.gz ZWNNJQYHNZKAOD-CYBMUJFWSA-N 1 2 216.284 2.188 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCc2cccnc21 ZINC000226819214 640793980 /nfs/dbraw/zinc/79/39/80/640793980.db2.gz HRMKYVRVSFPKJK-RYUDHWBXSA-N 1 2 215.300 2.351 20 30 BEEDLO CC(C)(C#N)C[NH2+][C@H]1CCc2cccnc21 ZINC000226830540 640800537 /nfs/dbraw/zinc/80/05/37/640800537.db2.gz MNFQELMYVIQGQI-NSHDSACASA-N 1 2 215.300 2.208 20 30 BEEDLO C=CC[C@H]([NH2+]C1(CCCC)CC1)C(=O)OC ZINC000934200963 641098863 /nfs/dbraw/zinc/09/88/63/641098863.db2.gz PWDVYRWWVYHSDE-NSHDSACASA-N 1 2 225.332 2.417 20 30 BEEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cncs1 ZINC000934201892 641101004 /nfs/dbraw/zinc/10/10/04/641101004.db2.gz WDZXHQILMZEDDM-UWVGGRQHSA-N 1 2 234.328 2.237 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(CC2CC2)no1 ZINC000934458890 641153891 /nfs/dbraw/zinc/15/38/91/641153891.db2.gz FIBJRGBBZKAUGX-LLVKDONJSA-N 1 2 233.315 2.173 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(CC2CC2)no1 ZINC000934458890 641153895 /nfs/dbraw/zinc/15/38/95/641153895.db2.gz FIBJRGBBZKAUGX-LLVKDONJSA-N 1 2 233.315 2.173 20 30 BEEDLO C#C[C@H]1CCCC[N@H+]1Cc1csc(C)n1 ZINC000934508633 641175384 /nfs/dbraw/zinc/17/53/84/641175384.db2.gz DYXKGNKIFOZGJD-LBPRGKRZSA-N 1 2 220.341 2.439 20 30 BEEDLO C#C[C@H]1CCCC[N@@H+]1Cc1csc(C)n1 ZINC000934508633 641175387 /nfs/dbraw/zinc/17/53/87/641175387.db2.gz DYXKGNKIFOZGJD-LBPRGKRZSA-N 1 2 220.341 2.439 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934570326 641198846 /nfs/dbraw/zinc/19/88/46/641198846.db2.gz DNAVQQYBLRUMGI-SWHYSGLUSA-N 1 2 248.301 2.024 20 30 BEEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934570326 641198854 /nfs/dbraw/zinc/19/88/54/641198854.db2.gz DNAVQQYBLRUMGI-SWHYSGLUSA-N 1 2 248.301 2.024 20 30 BEEDLO COc1ccc(O)c(C(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000077954390 641891255 /nfs/dbraw/zinc/89/12/55/641891255.db2.gz BWBRLTIWQZYZCB-SNAWJCMRSA-N 1 2 244.250 2.020 20 30 BEEDLO C=C(C)C[NH+]1CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC000950373113 641917338 /nfs/dbraw/zinc/91/73/38/641917338.db2.gz GKJPNQUNDPJXIT-UHFFFAOYSA-N 1 2 248.370 2.063 20 30 BEEDLO C=CC[N@@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000154994177 642348100 /nfs/dbraw/zinc/34/81/00/642348100.db2.gz OGIXDYKRWFJAHD-ZDUSSCGKSA-N 1 2 230.311 2.035 20 30 BEEDLO C=CC[N@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000154994177 642348104 /nfs/dbraw/zinc/34/81/04/642348104.db2.gz OGIXDYKRWFJAHD-ZDUSSCGKSA-N 1 2 230.311 2.035 20 30 BEEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(C)s2)C1 ZINC000847022871 642408651 /nfs/dbraw/zinc/40/86/51/642408651.db2.gz YRIQJIBDLHPUOY-MWLCHTKSSA-N 1 2 235.356 2.253 20 30 BEEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nnc(C)s2)C1 ZINC000847022871 642408655 /nfs/dbraw/zinc/40/86/55/642408655.db2.gz YRIQJIBDLHPUOY-MWLCHTKSSA-N 1 2 235.356 2.253 20 30 BEEDLO NC(=[NH+]OC1CCCC1)c1ccccc1 ZINC000183234900 643097772 /nfs/dbraw/zinc/09/77/72/643097772.db2.gz ATXPDOZVFGHERC-UHFFFAOYSA-N 1 2 204.273 2.266 20 30 BEEDLO C#CCOc1ccccc1NCc1c[nH+]cn1C ZINC000184619130 643223773 /nfs/dbraw/zinc/22/37/73/643223773.db2.gz NPNUXBJWCYPSGZ-UHFFFAOYSA-N 1 2 241.294 2.044 20 30 BEEDLO C#CC[N@@H+](Cc1cc(Cl)n(C)n1)C(C)(C)C ZINC000932462276 643269180 /nfs/dbraw/zinc/26/91/80/643269180.db2.gz UCBRNGIAYFAXMZ-UHFFFAOYSA-N 1 2 239.750 2.307 20 30 BEEDLO C#CC[N@H+](Cc1cc(Cl)n(C)n1)C(C)(C)C ZINC000932462276 643269191 /nfs/dbraw/zinc/26/91/91/643269191.db2.gz UCBRNGIAYFAXMZ-UHFFFAOYSA-N 1 2 239.750 2.307 20 30 BEEDLO C=CCC(CC=C)C(=O)OCc1ccc[nH+]c1N ZINC000922525804 644014800 /nfs/dbraw/zinc/01/48/00/644014800.db2.gz VDENQRAZQBEKOX-UHFFFAOYSA-N 1 2 246.310 2.475 20 30 BEEDLO C=CC(C)(C)CC(=O)OCc1ccc[nH+]c1N ZINC000922932952 644191042 /nfs/dbraw/zinc/19/10/42/644191042.db2.gz JDGJTDAVWXAINH-UHFFFAOYSA-N 1 2 234.299 2.309 20 30 BEEDLO C=CC[NH+]1CCN(C(=O)C2CCC=CCC2)CC1 ZINC000957681090 644747320 /nfs/dbraw/zinc/74/73/20/644747320.db2.gz YKUXVZJTCAZSSM-UHFFFAOYSA-N 1 2 248.370 2.063 20 30 BEEDLO CC(C)(CC#N)C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000414163956 644854316 /nfs/dbraw/zinc/85/43/16/644854316.db2.gz JOHYQBXNCFYEKB-LLVKDONJSA-N 1 2 232.331 2.317 20 30 BEEDLO C#Cc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1 ZINC000809574585 644893562 /nfs/dbraw/zinc/89/35/62/644893562.db2.gz QJRHSASDPIZKKH-UHFFFAOYSA-N 1 2 225.295 2.023 20 30 BEEDLO C#Cc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1 ZINC000809574585 644893564 /nfs/dbraw/zinc/89/35/64/644893564.db2.gz QJRHSASDPIZKKH-UHFFFAOYSA-N 1 2 225.295 2.023 20 30 BEEDLO C=C[C@H](C)ONC(=O)NCc1c[nH+]c(C)cc1C ZINC000845614324 645373034 /nfs/dbraw/zinc/37/30/34/645373034.db2.gz AWYQVURCOMDJQG-NSHDSACASA-N 1 2 249.314 2.004 20 30 BEEDLO C[C@@H](NCC1(C#N)CC1)c1cn2c([nH+]1)CCCC2 ZINC000926874649 645467882 /nfs/dbraw/zinc/46/78/82/645467882.db2.gz SFHMBNOOXFMKBQ-LLVKDONJSA-N 1 2 244.342 2.174 20 30 BEEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)CC1CCC1 ZINC000852426847 645479179 /nfs/dbraw/zinc/47/91/79/645479179.db2.gz PIWFZBCAUBMANI-UHFFFAOYSA-N 1 2 237.343 2.063 20 30 BEEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)CC1CCC1 ZINC000852426847 645479189 /nfs/dbraw/zinc/47/91/89/645479189.db2.gz PIWFZBCAUBMANI-UHFFFAOYSA-N 1 2 237.343 2.063 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1CCCSC(C)(C)C ZINC000878705043 645823176 /nfs/dbraw/zinc/82/31/76/645823176.db2.gz NMOHCWVKEXZZME-LBPRGKRZSA-N 1 2 241.400 2.242 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1CCCSC(C)(C)C ZINC000878705043 645823179 /nfs/dbraw/zinc/82/31/79/645823179.db2.gz NMOHCWVKEXZZME-LBPRGKRZSA-N 1 2 241.400 2.242 20 30 BEEDLO Cc1cccc([C@H](O)C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000929472715 646130756 /nfs/dbraw/zinc/13/07/56/646130756.db2.gz RGUNQROPEHPPPT-GXTWGEPZSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1cccc([C@H](O)C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000929472715 646130759 /nfs/dbraw/zinc/13/07/59/646130759.db2.gz RGUNQROPEHPPPT-GXTWGEPZSA-N 1 2 232.327 2.120 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000925437473 646283305 /nfs/dbraw/zinc/28/33/05/646283305.db2.gz NZMDTGHXDZANLJ-SECBINFHSA-N 1 2 226.707 2.493 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000925437474 646283617 /nfs/dbraw/zinc/28/36/17/646283617.db2.gz NZMDTGHXDZANLJ-VIFPVBQESA-N 1 2 226.707 2.493 20 30 BEEDLO C[N@H+](CCCCC1(C#N)CCC1)Cc1nnc[nH]1 ZINC000929811360 646330446 /nfs/dbraw/zinc/33/04/46/646330446.db2.gz OJOOYVSHNKXBEG-UHFFFAOYSA-N 1 2 247.346 2.101 20 30 BEEDLO C[N@@H+](CCCCC1(C#N)CCC1)Cc1nnc[nH]1 ZINC000929811360 646330450 /nfs/dbraw/zinc/33/04/50/646330450.db2.gz OJOOYVSHNKXBEG-UHFFFAOYSA-N 1 2 247.346 2.101 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000381268994 710615205 /nfs/dbraw/zinc/61/52/05/710615205.db2.gz UYVKIIIKXRJDMF-ZETCQYMHSA-N 1 2 242.681 2.434 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC)CC[C@H]1C ZINC001071278745 711183518 /nfs/dbraw/zinc/18/35/18/711183518.db2.gz IPNJQGBVRZGONC-MNOVXSKESA-N 1 2 244.766 2.118 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC)CC[C@H]1C ZINC001071278745 711183520 /nfs/dbraw/zinc/18/35/20/711183520.db2.gz IPNJQGBVRZGONC-MNOVXSKESA-N 1 2 244.766 2.118 20 30 BEEDLO Cc1cccc(CC[N@@H+]2CCC[C@H](C#N)C2)n1 ZINC000399724615 711433874 /nfs/dbraw/zinc/43/38/74/711433874.db2.gz NNKAGAZQGYWKOO-CYBMUJFWSA-N 1 2 229.327 2.168 20 30 BEEDLO Cc1cccc(CC[N@H+]2CCC[C@H](C#N)C2)n1 ZINC000399724615 711433877 /nfs/dbraw/zinc/43/38/77/711433877.db2.gz NNKAGAZQGYWKOO-CYBMUJFWSA-N 1 2 229.327 2.168 20 30 BEEDLO CCN(CCC#N)Cc1cc(C)cc(C)[nH+]1 ZINC000723613559 711525935 /nfs/dbraw/zinc/52/59/35/711525935.db2.gz CSIFLSUACWOGPY-UHFFFAOYSA-N 1 2 217.316 2.434 20 30 BEEDLO Cc1ccc(C[NH+]2CC(O)(C(C)C)C2)cc1C#N ZINC000701818308 712029997 /nfs/dbraw/zinc/02/99/97/712029997.db2.gz OHCFRNGHRPIVGG-UHFFFAOYSA-N 1 2 244.338 2.069 20 30 BEEDLO Cc1cc(C[NH2+]Cc2ccc(C)c(C#N)c2)no1 ZINC000701858441 712031301 /nfs/dbraw/zinc/03/13/01/712031301.db2.gz KMGOTMYSCOFWGI-UHFFFAOYSA-N 1 2 241.294 2.453 20 30 BEEDLO Cc1cnc(C[NH2+]Cc2ccc(C)c(C#N)c2)o1 ZINC000701858103 712031436 /nfs/dbraw/zinc/03/14/36/712031436.db2.gz FHJKJAWASVFXKP-UHFFFAOYSA-N 1 2 241.294 2.453 20 30 BEEDLO Cc1cnccc1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000707800728 712178674 /nfs/dbraw/zinc/17/86/74/712178674.db2.gz LXJBAOXWPYPQHT-GFCCVEGCSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1cnccc1C[N@H+]1CCC[C@H](C#N)C1 ZINC000707800728 712178676 /nfs/dbraw/zinc/17/86/76/712178676.db2.gz LXJBAOXWPYPQHT-GFCCVEGCSA-N 1 2 215.300 2.126 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708443582 712194888 /nfs/dbraw/zinc/19/48/88/712194888.db2.gz PJIDJRHKSWVXKM-UHFFFAOYSA-N 1 2 240.253 2.310 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708442612 712195137 /nfs/dbraw/zinc/19/51/37/712195137.db2.gz NQZLDJNUKBRLGF-SNVBAGLBSA-N 1 2 240.253 2.452 20 30 BEEDLO CC1(C)CC[C@@H](C[N@@H+]2CCC[C@@H](C#N)C2)OC1 ZINC000713619860 712467755 /nfs/dbraw/zinc/46/77/55/712467755.db2.gz OVCHBUSTBUFYLZ-STQMWFEESA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CC[C@@H](C[N@H+]2CCC[C@@H](C#N)C2)OC1 ZINC000713619860 712467757 /nfs/dbraw/zinc/46/77/57/712467757.db2.gz OVCHBUSTBUFYLZ-STQMWFEESA-N 1 2 236.359 2.427 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715417512 712518393 /nfs/dbraw/zinc/51/83/93/712518393.db2.gz YLCBARADADAOGQ-UBHSHLNASA-N 1 2 234.343 2.180 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715417512 712518394 /nfs/dbraw/zinc/51/83/94/712518394.db2.gz YLCBARADADAOGQ-UBHSHLNASA-N 1 2 234.343 2.180 20 30 BEEDLO C#CC[C@@H](COC)Nc1[nH+]c2ccccc2n1C ZINC000716415864 712559603 /nfs/dbraw/zinc/55/96/03/712559603.db2.gz AHOICSWROVKJHC-NSHDSACASA-N 1 2 243.310 2.024 20 30 BEEDLO C#CC[C@H]1CCN(c2cc(NCCC)[nH+]cn2)C1 ZINC000884596647 712647523 /nfs/dbraw/zinc/64/75/23/712647523.db2.gz IGVLEZKKCFRLPE-LBPRGKRZSA-N 1 2 244.342 2.148 20 30 BEEDLO C#CC[C@H]1CCN(c2cc(NCCC)nc[nH+]2)C1 ZINC000884596647 712647524 /nfs/dbraw/zinc/64/75/24/712647524.db2.gz IGVLEZKKCFRLPE-LBPRGKRZSA-N 1 2 244.342 2.148 20 30 BEEDLO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)CCO1 ZINC000720496722 712847334 /nfs/dbraw/zinc/84/73/34/712847334.db2.gz QVGLKPRTPRDLQT-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)CCO1 ZINC000720496722 712847335 /nfs/dbraw/zinc/84/73/35/712847335.db2.gz QVGLKPRTPRDLQT-LLVKDONJSA-N 1 2 248.301 2.308 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000308264530 958364130 /nfs/dbraw/zinc/36/41/30/958364130.db2.gz PEMAXQNVVHCWDC-HTQZYQBOSA-N 1 2 221.131 2.272 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000308264530 958364156 /nfs/dbraw/zinc/36/41/56/958364156.db2.gz PEMAXQNVVHCWDC-HTQZYQBOSA-N 1 2 221.131 2.272 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(C#N)ccc1Cl ZINC001140602274 960452206 /nfs/dbraw/zinc/45/22/06/960452206.db2.gz IRXRMAQOJDKBIE-UHFFFAOYSA-N 1 2 218.687 2.277 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(C#N)ccc1Cl ZINC001140602274 960452214 /nfs/dbraw/zinc/45/22/14/960452214.db2.gz IRXRMAQOJDKBIE-UHFFFAOYSA-N 1 2 218.687 2.277 20 30 BEEDLO C=CC[N@H+](Cc1cnn[nH]1)C1CCCCC1 ZINC001203211484 961297422 /nfs/dbraw/zinc/29/74/22/961297422.db2.gz FLGCEXUUTZAVJL-UHFFFAOYSA-N 1 2 220.320 2.125 20 30 BEEDLO C=CC[N@@H+](Cc1cnn[nH]1)C1CCCCC1 ZINC001203211484 961297454 /nfs/dbraw/zinc/29/74/54/961297454.db2.gz FLGCEXUUTZAVJL-UHFFFAOYSA-N 1 2 220.320 2.125 20 30 BEEDLO C=CC[N@H+](Cc1c[nH]nn1)C1CCCCC1 ZINC001203211484 961297493 /nfs/dbraw/zinc/29/74/93/961297493.db2.gz FLGCEXUUTZAVJL-UHFFFAOYSA-N 1 2 220.320 2.125 20 30 BEEDLO C=CC[N@@H+](Cc1c[nH]nn1)C1CCCCC1 ZINC001203211484 961297523 /nfs/dbraw/zinc/29/75/23/961297523.db2.gz FLGCEXUUTZAVJL-UHFFFAOYSA-N 1 2 220.320 2.125 20 30 BEEDLO C=CC[N@H+](Cc1cn[nH]n1)C1CCCCC1 ZINC001203211484 961297537 /nfs/dbraw/zinc/29/75/37/961297537.db2.gz FLGCEXUUTZAVJL-UHFFFAOYSA-N 1 2 220.320 2.125 20 30 BEEDLO C=CC[N@@H+](Cc1cn[nH]n1)C1CCCCC1 ZINC001203211484 961297577 /nfs/dbraw/zinc/29/75/77/961297577.db2.gz FLGCEXUUTZAVJL-UHFFFAOYSA-N 1 2 220.320 2.125 20 30 BEEDLO C=C[C@@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC001253586027 969267343 /nfs/dbraw/zinc/26/73/43/969267343.db2.gz IKHKXCNLQFEJGX-SNVBAGLBSA-N 1 2 223.703 2.203 20 30 BEEDLO C=C[C@@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC001253586027 969267352 /nfs/dbraw/zinc/26/73/52/969267352.db2.gz IKHKXCNLQFEJGX-SNVBAGLBSA-N 1 2 223.703 2.203 20 30 BEEDLO CCC(C#N)(CC)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006346 969329301 /nfs/dbraw/zinc/32/93/01/969329301.db2.gz XPVGQHGGWGBGKE-MNOVXSKESA-N 1 2 239.319 2.104 20 30 BEEDLO C=CCCCC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209201468 969387925 /nfs/dbraw/zinc/38/79/25/969387925.db2.gz MUZFVBFHKBVPIZ-LLVKDONJSA-N 1 2 233.302 2.292 20 30 BEEDLO C=CCCCC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001209201468 969387933 /nfs/dbraw/zinc/38/79/33/969387933.db2.gz MUZFVBFHKBVPIZ-LLVKDONJSA-N 1 2 233.302 2.292 20 30 BEEDLO C=CCCCC[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001209201486 969387974 /nfs/dbraw/zinc/38/79/74/969387974.db2.gz NIXKELVSIFMVCZ-NSHDSACASA-N 1 2 213.296 2.346 20 30 BEEDLO C=CCCCC[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001209201486 969387983 /nfs/dbraw/zinc/38/79/83/969387983.db2.gz NIXKELVSIFMVCZ-NSHDSACASA-N 1 2 213.296 2.346 20 30 BEEDLO C[N@H+](CCC#N)CCc1cc(F)c(F)cc1F ZINC001209248368 969416515 /nfs/dbraw/zinc/41/65/15/969416515.db2.gz VYZGHISWUWOIBL-UHFFFAOYSA-N 1 2 242.244 2.492 20 30 BEEDLO C[N@@H+](CCC#N)CCc1cc(F)c(F)cc1F ZINC001209248368 969416517 /nfs/dbraw/zinc/41/65/17/969416517.db2.gz VYZGHISWUWOIBL-UHFFFAOYSA-N 1 2 242.244 2.492 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@@H](F)C2)C1 ZINC001254660221 969770767 /nfs/dbraw/zinc/77/07/67/969770767.db2.gz GTLKRZADEJZHMY-BBBLOLIVSA-N 1 2 232.249 2.358 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)[C@@H](F)C2)C1 ZINC001254660221 969770771 /nfs/dbraw/zinc/77/07/71/969770771.db2.gz GTLKRZADEJZHMY-BBBLOLIVSA-N 1 2 232.249 2.358 20 30 BEEDLO CC[C@](C)(C#N)[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254934029 969828611 /nfs/dbraw/zinc/82/86/11/969828611.db2.gz HPCVADITXLOQJQ-GIPNMCIBSA-N 1 2 220.316 2.026 20 30 BEEDLO CCCC[C@@H](CC(C)C)N1CC[NH2+]C[C@@H]1C#N ZINC001173258446 975104186 /nfs/dbraw/zinc/10/41/86/975104186.db2.gz UXQCPJNNLLCRMA-KBPBESRZSA-N 1 2 237.391 2.389 20 30 BEEDLO C#Cc1cc(Nc2ccsc2)cc[nH+]1 ZINC001173819461 975592031 /nfs/dbraw/zinc/59/20/31/975592031.db2.gz CMUHLFICBUQJBZ-UHFFFAOYSA-N 1 2 200.266 2.290 20 30 BEEDLO C=C[C@H](COC)[NH2+]Cc1cccc(Cl)c1O ZINC000309503546 1167323180 /nfs/dbraw/zinc/32/31/80/1167323180.db2.gz AHBXIXMIOKQALD-SNVBAGLBSA-N 1 2 241.718 2.336 20 30 BEEDLO CC#CCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000175474366 1167399909 /nfs/dbraw/zinc/39/99/09/1167399909.db2.gz SREVTXIWPGOCTG-AWEZNQCLSA-N 1 2 245.322 2.246 20 30 BEEDLO CC#CCOC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000175474366 1167399915 /nfs/dbraw/zinc/39/99/15/1167399915.db2.gz SREVTXIWPGOCTG-AWEZNQCLSA-N 1 2 245.322 2.246 20 30 BEEDLO Cc1cccc(C#N)c1OC1C[NH+](C(C)C)C1 ZINC001229180089 1167448392 /nfs/dbraw/zinc/44/83/92/1167448392.db2.gz RUVDAEUYIYTEAA-UHFFFAOYSA-N 1 2 230.311 2.338 20 30 BEEDLO COc1ccsc1C[NH+]1CC(CC#N)C1 ZINC000597194724 1167664268 /nfs/dbraw/zinc/66/42/68/1167664268.db2.gz YVJNAYNDMDIGTC-UHFFFAOYSA-N 1 2 222.313 2.102 20 30 BEEDLO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674267 978245867 /nfs/dbraw/zinc/24/58/67/978245867.db2.gz UWBZPUREBRPEEV-JTQLQIEISA-N 1 2 216.284 2.106 20 30 BEEDLO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232674267 978245873 /nfs/dbraw/zinc/24/58/73/978245873.db2.gz UWBZPUREBRPEEV-JTQLQIEISA-N 1 2 216.284 2.106 20 30 BEEDLO Cc1cc(O)cc(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001232886740 978327358 /nfs/dbraw/zinc/32/73/58/978327358.db2.gz WLNUHYUXEIUDTM-LLVKDONJSA-N 1 2 216.284 2.046 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2[nH]ccc2C#N)CCC1(F)F ZINC001233046076 978432761 /nfs/dbraw/zinc/43/27/61/978432761.db2.gz LKYUITSHLKVUSN-SECBINFHSA-N 1 2 239.269 2.363 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2[nH]ccc2C#N)CCC1(F)F ZINC001233046076 978432764 /nfs/dbraw/zinc/43/27/64/978432764.db2.gz LKYUITSHLKVUSN-SECBINFHSA-N 1 2 239.269 2.363 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](CC2OC=CC2=S)C1 ZINC001237190260 979839644 /nfs/dbraw/zinc/83/96/44/979839644.db2.gz GSICXCLRTFDIOG-SECBINFHSA-N 1 2 222.313 2.304 20 30 BEEDLO N#C[C@H]1CCC[N@H+](CC2OC=CC2=S)C1 ZINC001237190260 979839653 /nfs/dbraw/zinc/83/96/53/979839653.db2.gz GSICXCLRTFDIOG-SECBINFHSA-N 1 2 222.313 2.304 20 30 BEEDLO C=CC[N@@H+](C)Cc1cc(OC)ncc1Cl ZINC001238361515 980243676 /nfs/dbraw/zinc/24/36/76/980243676.db2.gz WBEGUDGRXVGEAH-UHFFFAOYSA-N 1 2 226.707 2.361 20 30 BEEDLO C=CC[N@H+](C)Cc1cc(OC)ncc1Cl ZINC001238361515 980243682 /nfs/dbraw/zinc/24/36/82/980243682.db2.gz WBEGUDGRXVGEAH-UHFFFAOYSA-N 1 2 226.707 2.361 20 30 BEEDLO CCn1c[nH+]cc1COC(=O)CCCCC#N ZINC001346746427 980899189 /nfs/dbraw/zinc/89/91/89/980899189.db2.gz DDLQSZSYDNUHAP-UHFFFAOYSA-N 1 2 235.287 2.030 20 30 BEEDLO C=CCCCCCN1CC2(CC[N@H+]2C)C1 ZINC001276034775 1169064107 /nfs/dbraw/zinc/06/41/07/1169064107.db2.gz BWJRXOQCULJIAM-UHFFFAOYSA-N 1 2 208.349 2.123 20 30 BEEDLO C=CCCCCCN1CC2(CC[N@@H+]2C)C1 ZINC001276034775 1169064117 /nfs/dbraw/zinc/06/41/17/1169064117.db2.gz BWJRXOQCULJIAM-UHFFFAOYSA-N 1 2 208.349 2.123 20 30 BEEDLO C[N@H+](CCF)Cc1cc(F)cc(C#N)c1 ZINC001139879463 1169368031 /nfs/dbraw/zinc/36/80/31/1169368031.db2.gz MYJNEMHXIBPFIK-UHFFFAOYSA-N 1 2 210.227 2.099 20 30 BEEDLO C[N@@H+](CCF)Cc1cc(F)cc(C#N)c1 ZINC001139879463 1169368042 /nfs/dbraw/zinc/36/80/42/1169368042.db2.gz MYJNEMHXIBPFIK-UHFFFAOYSA-N 1 2 210.227 2.099 20 30 BEEDLO CCOC1CCC([NH2+]C(C)(C)C#N)CC1 ZINC001256424060 970829546 /nfs/dbraw/zinc/82/95/46/970829546.db2.gz CNEHXLASEZPRHY-UHFFFAOYSA-N 1 2 210.321 2.226 20 30 BEEDLO CCOC1CCC([NH+]2CC(C)(C#N)C2)CC1 ZINC001256436692 970840276 /nfs/dbraw/zinc/84/02/76/970840276.db2.gz OCKFVYCOZWKYOB-UHFFFAOYSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@@](C)(C#N)[NH2+]C1CCC(C#N)CC1 ZINC001256957710 971031053 /nfs/dbraw/zinc/03/10/53/971031053.db2.gz BBCYPJRWPUYLPR-MCIGGMRASA-N 1 2 205.305 2.351 20 30 BEEDLO N#CC1CCC([N@@H+]2CCCC[C@H]2C#N)CC1 ZINC001256970339 971053054 /nfs/dbraw/zinc/05/30/54/971053054.db2.gz YUPBZRBSRIPHRJ-BPCQOVAHSA-N 1 2 217.316 2.447 20 30 BEEDLO N#CC1CCC([N@H+]2CCCC[C@H]2C#N)CC1 ZINC001256970339 971053067 /nfs/dbraw/zinc/05/30/67/971053067.db2.gz YUPBZRBSRIPHRJ-BPCQOVAHSA-N 1 2 217.316 2.447 20 30 BEEDLO CC[C@](C)(C#N)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001257081487 971093463 /nfs/dbraw/zinc/09/34/63/971093463.db2.gz PQNPTDNLYHYGLY-CKYFFXLPSA-N 1 2 210.321 2.224 20 30 BEEDLO CC1=CC[C@H](CCN2CC[NH2+]C[C@@H]2C#N)C1(C)C ZINC001210123111 1169517451 /nfs/dbraw/zinc/51/74/51/1169517451.db2.gz YUNNANLJPVHRMQ-KGLIPLIRSA-N 1 2 247.386 2.166 20 30 BEEDLO C[C@H](CCN1CC[NH2+]C[C@H]1C#N)CC(C)(C)C ZINC001210120263 1169518281 /nfs/dbraw/zinc/51/82/81/1169518281.db2.gz BVLGSAMJNAYHIV-CHWSQXEVSA-N 1 2 237.391 2.246 20 30 BEEDLO CCC[C@@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001257316614 971213024 /nfs/dbraw/zinc/21/30/24/971213024.db2.gz GIZWAUZOKJEZIZ-KOLCDFICSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257316614 971213033 /nfs/dbraw/zinc/21/30/33/971213033.db2.gz GIZWAUZOKJEZIZ-KOLCDFICSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC[C@@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257316614 971213041 /nfs/dbraw/zinc/21/30/41/971213041.db2.gz GIZWAUZOKJEZIZ-KOLCDFICSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC[C@@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257316614 971213048 /nfs/dbraw/zinc/21/30/48/971213048.db2.gz GIZWAUZOKJEZIZ-KOLCDFICSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC[C@H](C)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001257316616 971213323 /nfs/dbraw/zinc/21/33/23/971213323.db2.gz GIZWAUZOKJEZIZ-ONGXEEELSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257316616 971213335 /nfs/dbraw/zinc/21/33/35/971213335.db2.gz GIZWAUZOKJEZIZ-ONGXEEELSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC[C@H](C)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257316616 971213343 /nfs/dbraw/zinc/21/33/43/971213343.db2.gz GIZWAUZOKJEZIZ-ONGXEEELSA-N 1 2 225.357 2.449 20 30 BEEDLO CCC[C@H](C)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001257316616 971213348 /nfs/dbraw/zinc/21/33/48/971213348.db2.gz GIZWAUZOKJEZIZ-ONGXEEELSA-N 1 2 225.357 2.449 20 30 BEEDLO C=C[C@H]1C[C@]1([NH2+]C1CCCC1)C(=O)OCC ZINC001257346074 971257809 /nfs/dbraw/zinc/25/78/09/971257809.db2.gz JRFSQNIHNXEJKK-GXFFZTMASA-N 1 2 223.316 2.026 20 30 BEEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCCC1)C(=O)OCC ZINC001257346075 971258560 /nfs/dbraw/zinc/25/85/60/971258560.db2.gz JRFSQNIHNXEJKK-MFKMUULPSA-N 1 2 223.316 2.026 20 30 BEEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCCCC1)C(=O)OCC ZINC001257452350 971374745 /nfs/dbraw/zinc/37/47/45/971374745.db2.gz QZYZUYORHRERPH-RISCZKNCSA-N 1 2 237.343 2.417 20 30 BEEDLO C=C1C[C@@H]2CC([NH2+]C3(C(=O)OC)CC3)C[C@H](C1)C2 ZINC001257887172 971519207 /nfs/dbraw/zinc/51/92/07/971519207.db2.gz JXHMPUAFORBUOU-FUNVUKJBSA-N 1 2 249.354 2.417 20 30 BEEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCC2(COC2)CC1 ZINC001257897503 971529286 /nfs/dbraw/zinc/52/92/86/971529286.db2.gz BIIDVADFGBKLGI-ZDUSSCGKSA-N 1 2 236.359 2.473 20 30 BEEDLO C=CCC(CC=C)c1nnc(C[NH+](C)C)o1 ZINC001257943750 971545500 /nfs/dbraw/zinc/54/55/00/971545500.db2.gz AWKASUMHLISJIH-UHFFFAOYSA-N 1 2 221.304 2.367 20 30 BEEDLO CC1(C)[C@@H]2C[C@H]([NH+]3CC(C)(C#N)C3)C[C@@H]21 ZINC001170738662 971691459 /nfs/dbraw/zinc/69/14/59/971691459.db2.gz JOCRKCCHWMYQHE-JGPRNRPPSA-N 1 2 204.317 2.266 20 30 BEEDLO C#C[C@H](CC(C)C)Oc1cc(N)cc[nH+]1 ZINC001218355752 971728608 /nfs/dbraw/zinc/72/86/08/971728608.db2.gz LVCMNJPDELHVCI-LLVKDONJSA-N 1 2 204.273 2.091 20 30 BEEDLO Cc1nc2[nH]ccc2c(NCC(C)(C)S)[nH+]1 ZINC001159266151 971794411 /nfs/dbraw/zinc/79/44/11/971794411.db2.gz CQLPUGRIQGGEGO-UHFFFAOYSA-N 1 2 236.344 2.387 20 30 BEEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@@H]1CCCOCC1 ZINC001170801504 971847402 /nfs/dbraw/zinc/84/74/02/971847402.db2.gz WLUVRUUKPCQLLD-OLZOCXBDSA-N 1 2 224.348 2.473 20 30 BEEDLO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC1(F)F ZINC001172292416 974558943 /nfs/dbraw/zinc/55/89/43/974558943.db2.gz PBZKPNIEBQABOL-BXKDBHETSA-N 1 2 236.265 2.486 20 30 BEEDLO C[C@@H](C[N@@H+]1CCC[C@@H](C#N)C1)C(F)(F)F ZINC001208906097 957238449 /nfs/dbraw/zinc/23/84/49/957238449.db2.gz SQKUPIXILOVUBF-IUCAKERBSA-N 1 2 220.238 2.420 20 30 BEEDLO C[C@@H](C[N@H+]1CCC[C@@H](C#N)C1)C(F)(F)F ZINC001208906097 957238470 /nfs/dbraw/zinc/23/84/70/957238470.db2.gz SQKUPIXILOVUBF-IUCAKERBSA-N 1 2 220.238 2.420 20 30 BEEDLO C=CCCCC[N@@H+]1Cc2cnn(C)c2C1 ZINC001209204402 957351927 /nfs/dbraw/zinc/35/19/27/957351927.db2.gz DIKXSRZTYKRZPC-UHFFFAOYSA-N 1 2 205.305 2.092 20 30 BEEDLO C=CCCCC[N@H+]1Cc2cnn(C)c2C1 ZINC001209204402 957351942 /nfs/dbraw/zinc/35/19/42/957351942.db2.gz DIKXSRZTYKRZPC-UHFFFAOYSA-N 1 2 205.305 2.092 20 30 BEEDLO COCCCC[N@H+](CCC#N)Cc1cccnc1 ZINC001209214063 957359841 /nfs/dbraw/zinc/35/98/41/957359841.db2.gz JQHUNNROACQYKA-UHFFFAOYSA-N 1 2 247.342 2.224 20 30 BEEDLO COCCCC[N@@H+](CCC#N)Cc1cccnc1 ZINC001209214063 957359854 /nfs/dbraw/zinc/35/98/54/957359854.db2.gz JQHUNNROACQYKA-UHFFFAOYSA-N 1 2 247.342 2.224 20 30 BEEDLO C#Cc1cc(Nc2c[nH+]cc(C)c2C)ccn1 ZINC001213522777 958197362 /nfs/dbraw/zinc/19/73/62/958197362.db2.gz GIIXEJJCTIFCLX-UHFFFAOYSA-N 1 2 223.279 2.240 20 30 BEEDLO C[C@@H]([NH2+]CCC(C)(C)C#N)c1csnn1 ZINC000398351106 958228027 /nfs/dbraw/zinc/22/80/27/958228027.db2.gz XMSGJDJVQZJTRV-MRVPVSSYSA-N 1 2 224.333 2.129 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc2ccccc2n1C ZINC000197391274 972354254 /nfs/dbraw/zinc/35/42/54/972354254.db2.gz JJWUPMPEKWOQIQ-UHFFFAOYSA-N 1 2 236.318 2.247 20 30 BEEDLO C=CC[N@@H+](CC/C=C\CC)CC(=O)OCC ZINC000588475819 958716642 /nfs/dbraw/zinc/71/66/42/958716642.db2.gz UQPKQQQHKCHACR-FPLPWBNLSA-N 1 2 225.332 2.394 20 30 BEEDLO C=CC[N@H+](CC/C=C\CC)CC(=O)OCC ZINC000588475819 958716656 /nfs/dbraw/zinc/71/66/56/958716656.db2.gz UQPKQQQHKCHACR-FPLPWBNLSA-N 1 2 225.332 2.394 20 30 BEEDLO N#C[C@@H](OCCn1cc[nH+]c1)c1ccccc1F ZINC001222139744 972385023 /nfs/dbraw/zinc/38/50/23/972385023.db2.gz VYLOJQBETRULBD-CYBMUJFWSA-N 1 2 245.257 2.304 20 30 BEEDLO C#Cc1cc(Nc2cc(F)c(O)c(F)c2)cc[nH+]1 ZINC001213370274 959004118 /nfs/dbraw/zinc/00/41/18/959004118.db2.gz BQQVKLLEXRJNJB-UHFFFAOYSA-N 1 2 246.216 2.212 20 30 BEEDLO C#CCOc1ccc(C[N@H+](C)CCC#N)cc1 ZINC000157798619 959382666 /nfs/dbraw/zinc/38/26/66/959382666.db2.gz XDPVKCJOHGCUCX-UHFFFAOYSA-N 1 2 228.295 2.044 20 30 BEEDLO C#CCOc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000157798619 959382695 /nfs/dbraw/zinc/38/26/95/959382695.db2.gz XDPVKCJOHGCUCX-UHFFFAOYSA-N 1 2 228.295 2.044 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000693920483 959534284 /nfs/dbraw/zinc/53/42/84/959534284.db2.gz PLYUZXHXONZPLM-GFCCVEGCSA-N 1 2 241.338 2.390 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000693920483 959534294 /nfs/dbraw/zinc/53/42/94/959534294.db2.gz PLYUZXHXONZPLM-GFCCVEGCSA-N 1 2 241.338 2.390 20 30 BEEDLO O=C(CCS)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001143979812 972453246 /nfs/dbraw/zinc/45/32/46/972453246.db2.gz MPTGIRICUWHVRT-UHFFFAOYSA-N 1 2 247.323 2.131 20 30 BEEDLO C=CCn1cc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001222391269 972453692 /nfs/dbraw/zinc/45/36/92/972453692.db2.gz JMOMMOIZAGWYSK-UHFFFAOYSA-N 1 2 224.267 2.384 20 30 BEEDLO COc1cc[nH+]cc1Nc1cnc(C#N)c(F)c1 ZINC001203049985 960449727 /nfs/dbraw/zinc/44/97/27/960449727.db2.gz FDWAPMFHZDPLEC-UHFFFAOYSA-N 1 2 244.229 2.240 20 30 BEEDLO N#CCC[N@@H+](Cc1ccc(CO)o1)C1CCCC1 ZINC001140681867 960492587 /nfs/dbraw/zinc/49/25/87/960492587.db2.gz NBSSYTSKGZJJJB-UHFFFAOYSA-N 1 2 248.326 2.430 20 30 BEEDLO N#CCC[N@H+](Cc1ccc(CO)o1)C1CCCC1 ZINC001140681867 960492602 /nfs/dbraw/zinc/49/26/02/960492602.db2.gz NBSSYTSKGZJJJB-UHFFFAOYSA-N 1 2 248.326 2.430 20 30 BEEDLO N#Cc1c(F)cc(C[NH+]2CC=CC2)cc1F ZINC001140751334 960553553 /nfs/dbraw/zinc/55/35/53/960553553.db2.gz SJRYYFDDKJPWDX-UHFFFAOYSA-N 1 2 220.222 2.208 20 30 BEEDLO CCCCc1[nH]c(CN(C)CCC#N)c[nH+]1 ZINC001141066991 960854249 /nfs/dbraw/zinc/85/42/49/960854249.db2.gz NLNOMJDDWBPCIA-UHFFFAOYSA-N 1 2 220.320 2.098 20 30 BEEDLO CCCCc1[nH]cc(CN(C)CCC#N)[nH+]1 ZINC001141066991 960854255 /nfs/dbraw/zinc/85/42/55/960854255.db2.gz NLNOMJDDWBPCIA-UHFFFAOYSA-N 1 2 220.320 2.098 20 30 BEEDLO CCCCc1[nH]c(CN2CC[C@](C)(C#N)C2)c[nH+]1 ZINC001141073576 960862907 /nfs/dbraw/zinc/86/29/07/960862907.db2.gz HYDMOPHVROHTPF-CQSZACIVSA-N 1 2 246.358 2.488 20 30 BEEDLO CCCCc1[nH]cc(CN2CC[C@](C)(C#N)C2)[nH+]1 ZINC001141073576 960862909 /nfs/dbraw/zinc/86/29/09/960862909.db2.gz HYDMOPHVROHTPF-CQSZACIVSA-N 1 2 246.358 2.488 20 30 BEEDLO CCO[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167303 960898915 /nfs/dbraw/zinc/89/89/15/960898915.db2.gz GBVNPCQYXFRORU-CQSZACIVSA-N 1 2 248.301 2.308 20 30 BEEDLO CCO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001141167303 960898918 /nfs/dbraw/zinc/89/89/18/960898918.db2.gz GBVNPCQYXFRORU-CQSZACIVSA-N 1 2 248.301 2.308 20 30 BEEDLO CSc1nc(C[N@@H+]2CC[C@H]2C)ccc1C#N ZINC001141931550 961179658 /nfs/dbraw/zinc/17/96/58/961179658.db2.gz CZSMLNWRLWWZBS-SECBINFHSA-N 1 2 233.340 2.269 20 30 BEEDLO CSc1nc(C[N@H+]2CC[C@H]2C)ccc1C#N ZINC001141931550 961179667 /nfs/dbraw/zinc/17/96/67/961179667.db2.gz CZSMLNWRLWWZBS-SECBINFHSA-N 1 2 233.340 2.269 20 30 BEEDLO CCC1(C/[NH+]=C/c2ccccc2O)COC1 ZINC000840708162 961190084 /nfs/dbraw/zinc/19/00/84/961190084.db2.gz DLDIVNKOMBPCQF-VGOFMYFVSA-N 1 2 219.284 2.238 20 30 BEEDLO C=C(C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001142507902 961455504 /nfs/dbraw/zinc/45/55/04/961455504.db2.gz WVQRMZYIIKYINS-UHFFFAOYSA-N 1 2 227.267 2.387 20 30 BEEDLO CCN(CCC#N)Cc1ccc2[nH+]ccn2c1 ZINC001143028863 961870306 /nfs/dbraw/zinc/87/03/06/961870306.db2.gz JWHLPHQZLCHRCF-UHFFFAOYSA-N 1 2 228.299 2.070 20 30 BEEDLO N#CCc1cc[nH+]c(NCCC2CCOCC2)c1 ZINC001154850490 962872124 /nfs/dbraw/zinc/87/21/24/962872124.db2.gz KELSZGSOZOJPPQ-UHFFFAOYSA-N 1 2 245.326 2.376 20 30 BEEDLO C#CCCCNc1nc(NC(C)C)c(OC)c[nH+]1 ZINC001155010777 962940834 /nfs/dbraw/zinc/94/08/34/962940834.db2.gz TUXIFURWUASQMT-UHFFFAOYSA-N 1 2 248.330 2.131 20 30 BEEDLO C#CCCCNc1[nH+]cccc1CC(=O)OCC ZINC001155010652 962941288 /nfs/dbraw/zinc/94/12/88/962941288.db2.gz KOBXWROVLGLGEB-UHFFFAOYSA-N 1 2 246.310 2.013 20 30 BEEDLO C=C(C)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC001155660304 963144913 /nfs/dbraw/zinc/14/49/13/963144913.db2.gz CHZNLGZSJOWVEY-UHFFFAOYSA-N 1 2 232.331 2.455 20 30 BEEDLO C=C(C)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC001155660304 963144922 /nfs/dbraw/zinc/14/49/22/963144922.db2.gz CHZNLGZSJOWVEY-UHFFFAOYSA-N 1 2 232.331 2.455 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCCc2nccnc21 ZINC001255160326 1169822966 /nfs/dbraw/zinc/82/29/66/1169822966.db2.gz ILGPDJAYBMNUES-ZYHUDNBSSA-N 1 2 230.315 2.136 20 30 BEEDLO Cc1c[nH+]c(NC[C@@H]2CCCCO2)c(/C=N/O)c1 ZINC001156378423 963325454 /nfs/dbraw/zinc/32/54/54/963325454.db2.gz ZLRYJFRQMOHFFD-WIJRQFRKSA-N 1 2 249.314 2.179 20 30 BEEDLO CCOc1ccnc(C[NH2+][C@@H](CC)CC#N)c1 ZINC001255160550 1169823808 /nfs/dbraw/zinc/82/38/08/1169823808.db2.gz LGVTYZDRYLQESB-NSHDSACASA-N 1 2 233.315 2.262 20 30 BEEDLO C[C@@H]1C[C@H]([NH2+]C2(C#N)CCCCC2)CCO1 ZINC001168078224 963621995 /nfs/dbraw/zinc/62/19/95/963621995.db2.gz LUBKKIFFILVSGR-VXGBXAGGSA-N 1 2 222.332 2.370 20 30 BEEDLO Cc1[nH+]c(N2C[C@@H](F)C[C@H]2C#N)cc2[nH]ccc21 ZINC001157479970 963627624 /nfs/dbraw/zinc/62/76/24/963627624.db2.gz RRDCUNYPYFQQBE-UWVGGRQHSA-N 1 2 244.273 2.312 20 30 BEEDLO CC(C)C[C@@H](C#N)Nc1cc(N)cc[nH+]1 ZINC001160356514 964288009 /nfs/dbraw/zinc/28/80/09/964288009.db2.gz XGNJHHFRXAZZBS-JTQLQIEISA-N 1 2 204.277 2.014 20 30 BEEDLO C/C(=C\C=C\[NH3+])N[C@@H](C#N)c1ccccc1 ZINC001161717814 964708983 /nfs/dbraw/zinc/70/89/83/964708983.db2.gz HVNOKARLGKSUBN-NVPMPCDHSA-N 1 2 213.284 2.217 20 30 BEEDLO C=CCc1cc(C)c[nH+]c1NCc1ncon1 ZINC001162275693 964903931 /nfs/dbraw/zinc/90/39/31/964903931.db2.gz DUSZTQCEADBLDQ-UHFFFAOYSA-N 1 2 230.271 2.114 20 30 BEEDLO C#CCCCNc1ccc2[nH+]cn(C)c2c1 ZINC001162445390 964978853 /nfs/dbraw/zinc/97/88/53/964978853.db2.gz GWUZIMSBYJLHBF-UHFFFAOYSA-N 1 2 213.284 2.399 20 30 BEEDLO C#CCCCNc1cc(C2(C)OCCO2)cc[nH+]1 ZINC001162440143 964979373 /nfs/dbraw/zinc/97/93/73/964979373.db2.gz PQJYCFFHNCCBRW-UHFFFAOYSA-N 1 2 246.310 2.126 20 30 BEEDLO Cn1cccc1CNc1[nH+]cccc1CC#N ZINC001162704331 965129678 /nfs/dbraw/zinc/12/96/78/965129678.db2.gz NVLNQMUVSOUDLH-UHFFFAOYSA-N 1 2 226.283 2.098 20 30 BEEDLO Cc1cnccc1CNc1[nH+]cccc1CC#N ZINC001162716258 965138570 /nfs/dbraw/zinc/13/85/70/965138570.db2.gz HRYYVWGEROQDBA-UHFFFAOYSA-N 1 2 238.294 2.463 20 30 BEEDLO C=C(C)C[NH+]1CC(N(C)C(=O)c2ccccc2)C1 ZINC001042420746 965190792 /nfs/dbraw/zinc/19/07/92/965190792.db2.gz QQJKVTCTUMXCJD-UHFFFAOYSA-N 1 2 244.338 2.019 20 30 BEEDLO C#C[C@H](C)Nc1[nH+]cc(C)cc1/C=C/C(=O)OC ZINC001163160942 965275008 /nfs/dbraw/zinc/27/50/08/965275008.db2.gz KONGGKZMNQCRIM-MLRMMBSGSA-N 1 2 244.294 2.010 20 30 BEEDLO C=C(C)CNc1cc(C2(C)OCCO2)cc[nH+]1 ZINC001163374415 965378202 /nfs/dbraw/zinc/37/82/02/965378202.db2.gz VCRWWSAYBWVARN-UHFFFAOYSA-N 1 2 234.299 2.289 20 30 BEEDLO Cc1cc2c[nH+]c(NC3=CC(=O)CCC3)nc2[nH]1 ZINC001163452093 965407084 /nfs/dbraw/zinc/40/70/84/965407084.db2.gz SQZPBBNVKVJCLV-UHFFFAOYSA-N 1 2 242.282 2.267 20 30 BEEDLO CC(=O)C=C(C)Nc1cccn2cc[nH+]c12 ZINC001163738196 965558514 /nfs/dbraw/zinc/55/85/14/965558514.db2.gz UPCBXNCCCFYZAG-HJWRWDBZSA-N 1 2 215.256 2.239 20 30 BEEDLO CC(=O)C=C(C)Nc1ccn2cc[nH+]c2c1 ZINC001163737450 965558704 /nfs/dbraw/zinc/55/87/04/965558704.db2.gz BIVRFTMTTKHHKR-CLFYSBASSA-N 1 2 215.256 2.239 20 30 BEEDLO CSCCCNc1ccc(CC#N)c[nH+]1 ZINC001163864583 965608588 /nfs/dbraw/zinc/60/85/88/965608588.db2.gz DUGBKYRPXNFKHS-UHFFFAOYSA-N 1 2 221.329 2.313 20 30 BEEDLO CNc1ccc(Nc2ncc(C)cc2C#N)c[nH+]1 ZINC001203453150 966654412 /nfs/dbraw/zinc/65/44/12/966654412.db2.gz WTZGOGHPXGCLLI-UHFFFAOYSA-N 1 2 239.282 2.442 20 30 BEEDLO CNc1ccc(Nc2c(C)ccnc2C#N)c[nH+]1 ZINC001203455595 966658679 /nfs/dbraw/zinc/65/86/79/966658679.db2.gz VIVSSWYVDGPKEJ-UHFFFAOYSA-N 1 2 239.282 2.442 20 30 BEEDLO C#Cc1cc(Nc2ccc3cncnc3c2)cc[nH+]1 ZINC001203695729 966736517 /nfs/dbraw/zinc/73/65/17/966736517.db2.gz FDYLNJNEVQMFAJ-UHFFFAOYSA-N 1 2 246.273 2.172 20 30 BEEDLO COc1cccc(N[NH+]=Cc2cccnc2N)c1 ZINC000764668821 966791849 /nfs/dbraw/zinc/79/18/49/966791849.db2.gz FFWHFDNMKHHDFG-UHFFFAOYSA-N 1 2 242.282 2.118 20 30 BEEDLO Cc1c(C[N@H+](CCC#N)C2CCCC2)cnn1C ZINC001204569919 967060736 /nfs/dbraw/zinc/06/07/36/967060736.db2.gz CPJSAAOKSNIOAN-UHFFFAOYSA-N 1 2 246.358 2.387 20 30 BEEDLO Cc1c(C[N@@H+](CCC#N)C2CCCC2)cnn1C ZINC001204569919 967060743 /nfs/dbraw/zinc/06/07/43/967060743.db2.gz CPJSAAOKSNIOAN-UHFFFAOYSA-N 1 2 246.358 2.387 20 30 BEEDLO N#C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000094680084 967061559 /nfs/dbraw/zinc/06/15/59/967061559.db2.gz SXRSWRPPHUVFNV-GFCCVEGCSA-N 1 2 216.284 2.128 20 30 BEEDLO N#C[C@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000094680084 967061575 /nfs/dbraw/zinc/06/15/75/967061575.db2.gz SXRSWRPPHUVFNV-GFCCVEGCSA-N 1 2 216.284 2.128 20 30 BEEDLO CN(C)c1cc(F)cc(C[NH+]2CC(CC#N)C2)c1 ZINC001249943208 967185170 /nfs/dbraw/zinc/18/51/70/967185170.db2.gz MJEZPFOBGWIPPQ-UHFFFAOYSA-N 1 2 247.317 2.237 20 30 BEEDLO C=CCc1cc(C[NH+]2CCOCC2)ccc1OC ZINC001249956713 967201143 /nfs/dbraw/zinc/20/11/43/967201143.db2.gz SUMGPHJSQDDOJD-UHFFFAOYSA-N 1 2 247.338 2.256 20 30 BEEDLO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001143157067 967669195 /nfs/dbraw/zinc/66/91/95/967669195.db2.gz YHECKCZNTZIHGO-LBPRGKRZSA-N 1 2 230.311 2.349 20 30 BEEDLO COc1cc(C)cc(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001143157067 967669230 /nfs/dbraw/zinc/66/92/30/967669230.db2.gz YHECKCZNTZIHGO-LBPRGKRZSA-N 1 2 230.311 2.349 20 30 BEEDLO N#Cc1cc(CCn2cc[nH+]c2)ccc1F ZINC001250316268 967681996 /nfs/dbraw/zinc/68/19/96/967681996.db2.gz FZVCFZJITRSFRN-UHFFFAOYSA-N 1 2 215.231 2.137 20 30 BEEDLO COc1ccc(CCn2cc[nH+]c2)c(C#N)c1 ZINC001250320105 967697740 /nfs/dbraw/zinc/69/77/40/967697740.db2.gz YGUYFUFNHSCQLV-UHFFFAOYSA-N 1 2 227.267 2.006 20 30 BEEDLO CC[C@@H](C#N)[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168761378 967959044 /nfs/dbraw/zinc/95/90/44/967959044.db2.gz BZVSFTRUXXMCAB-ZBOXLXRLSA-N 1 2 238.331 2.000 20 30 BEEDLO C#CCCc1[nH]c2cc(C)c(OC)cc2[nH+]1 ZINC001250606841 968155498 /nfs/dbraw/zinc/15/54/98/968155498.db2.gz YPTDDIUQCAHWQF-UHFFFAOYSA-N 1 2 214.268 2.446 20 30 BEEDLO Cc1ncc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)o1 ZINC001119607173 968430683 /nfs/dbraw/zinc/43/06/83/968430683.db2.gz YCSXJIUZUYDHHP-VIFPVBQESA-N 1 2 242.282 2.101 20 30 BEEDLO Cc1ncc(C[NH2+][C@H](C)c2cc(C#N)ccn2)o1 ZINC001119607171 968431324 /nfs/dbraw/zinc/43/13/24/968431324.db2.gz YCSXJIUZUYDHHP-SECBINFHSA-N 1 2 242.282 2.101 20 30 BEEDLO C=C(C)COC1C[NH+](Cc2ccccc2)C1 ZINC001206735236 968449275 /nfs/dbraw/zinc/44/92/75/968449275.db2.gz BPGMAWXFEDYGCS-UHFFFAOYSA-N 1 2 217.312 2.464 20 30 BEEDLO Cn1cc(C[N@@H+]2CCc3occc3C2)cc1C#N ZINC001207108687 968635238 /nfs/dbraw/zinc/63/52/38/968635238.db2.gz IHFOPMOQHZMLSE-UHFFFAOYSA-N 1 2 241.294 2.048 20 30 BEEDLO Cn1cc(C[N@H+]2CCc3occc3C2)cc1C#N ZINC001207108687 968635244 /nfs/dbraw/zinc/63/52/44/968635244.db2.gz IHFOPMOQHZMLSE-UHFFFAOYSA-N 1 2 241.294 2.048 20 30 BEEDLO C=C(C)c1[nH+]cc(C(=O)OC)c2c1ccn2C ZINC001240832991 968734352 /nfs/dbraw/zinc/73/43/52/968734352.db2.gz HFEHYRPIQPWDCR-UHFFFAOYSA-N 1 2 230.267 2.393 20 30 BEEDLO C=C[C@@](C)(O)CNc1ccc(C)[nH+]c1C ZINC001252538113 968769487 /nfs/dbraw/zinc/76/94/87/968769487.db2.gz BSJQVOAYZBCLBV-GFCCVEGCSA-N 1 2 206.289 2.047 20 30 BEEDLO C=C[C@@](C)(O)CNc1ccccc1-n1cc[nH+]c1 ZINC001252539071 968771960 /nfs/dbraw/zinc/77/19/60/968771960.db2.gz PAKGFLCXYJOZHM-CQSZACIVSA-N 1 2 243.310 2.221 20 30 BEEDLO C=C[C@](C)(O)CNc1c[nH+]c(C)cc1C ZINC001252542734 968779153 /nfs/dbraw/zinc/77/91/53/968779153.db2.gz JOZHHYJOAPGTPY-LBPRGKRZSA-N 1 2 206.289 2.047 20 30 BEEDLO C=C[C@@](C)(O)CNc1ccc(N2CCCC2)[nH+]c1 ZINC001252545323 968782538 /nfs/dbraw/zinc/78/25/38/968782538.db2.gz HVXRIFQWHUVVQZ-CQSZACIVSA-N 1 2 247.342 2.031 20 30 BEEDLO C=CCC[C@H](O)CNc1[nH+]cccc1OCC ZINC001252587804 968842414 /nfs/dbraw/zinc/84/24/14/968842414.db2.gz HRLBZHLQKIXGAG-NSHDSACASA-N 1 2 236.315 2.219 20 30 BEEDLO C=CCC[C@@H](O)CNc1ccc(N(C)CC)[nH+]c1 ZINC001252592437 968851132 /nfs/dbraw/zinc/85/11/32/968851132.db2.gz SWDNNQQSYXTBCX-CYBMUJFWSA-N 1 2 249.358 2.277 20 30 BEEDLO C#CC[N@@H+](C)Cc1cnc(CC(C)C)s1 ZINC001207712240 968863511 /nfs/dbraw/zinc/86/35/11/968863511.db2.gz YFBQQKHZANQJNK-UHFFFAOYSA-N 1 2 222.357 2.407 20 30 BEEDLO C#CC[N@H+](C)Cc1cnc(CC(C)C)s1 ZINC001207712240 968863515 /nfs/dbraw/zinc/86/35/15/968863515.db2.gz YFBQQKHZANQJNK-UHFFFAOYSA-N 1 2 222.357 2.407 20 30 BEEDLO C=CCC[C@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001252607186 968865628 /nfs/dbraw/zinc/86/56/28/968865628.db2.gz IOCHELWBMZIOAJ-LBPRGKRZSA-N 1 2 245.326 2.312 20 30 BEEDLO C#CCNc1[nH+]ccc2ccc(C(=O)OC)cc21 ZINC001155651061 969044292 /nfs/dbraw/zinc/04/42/92/969044292.db2.gz XQIFCHVSNWBYAN-UHFFFAOYSA-N 1 2 240.262 2.067 20 30 BEEDLO C=C[C@@H](COC)[NH2+]Cc1ncc(Cl)s1 ZINC000379563947 969146098 /nfs/dbraw/zinc/14/60/98/969146098.db2.gz ANLDTCYGZDNDBY-ZETCQYMHSA-N 1 2 232.736 2.087 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168999770 969327709 /nfs/dbraw/zinc/32/77/09/969327709.db2.gz VMMLCFZCEXOFHT-IJLUTSLNSA-N 1 2 239.319 2.104 20 30 BEEDLO COCC#CC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001253793901 969412348 /nfs/dbraw/zinc/41/23/48/969412348.db2.gz DSKQIXCPQUATDU-UHFFFAOYSA-N 1 2 249.741 2.348 20 30 BEEDLO COCC#CC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001253793901 969412355 /nfs/dbraw/zinc/41/23/55/969412355.db2.gz DSKQIXCPQUATDU-UHFFFAOYSA-N 1 2 249.741 2.348 20 30 BEEDLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C#N)nc1 ZINC001209568233 969550911 /nfs/dbraw/zinc/55/09/11/969550911.db2.gz DCDXPFXWXQETBV-UHFFFAOYSA-N 1 2 249.277 2.183 20 30 BEEDLO C#CC[N@@H+](CC(=O)c1cc(C)[nH]c1C)CC1CC1 ZINC001254255396 969552073 /nfs/dbraw/zinc/55/20/73/969552073.db2.gz NBPSCVJZLWBDCJ-UHFFFAOYSA-N 1 2 244.338 2.159 20 30 BEEDLO C#CC[N@H+](CC(=O)c1cc(C)[nH]c1C)CC1CC1 ZINC001254255396 969552075 /nfs/dbraw/zinc/55/20/75/969552075.db2.gz NBPSCVJZLWBDCJ-UHFFFAOYSA-N 1 2 244.338 2.159 20 30 BEEDLO Cc1c[nH+]c(NCCn2cccc2)c(/C=N/O)c1 ZINC001156299802 969617205 /nfs/dbraw/zinc/61/72/05/969617205.db2.gz QVYNGHBCJZCXHX-MHWRWJLKSA-N 1 2 244.298 2.112 20 30 BEEDLO CCc1cc(NC=CC(=O)C(F)(F)F)cc[nH+]1 ZINC001169480424 969651098 /nfs/dbraw/zinc/65/10/98/969651098.db2.gz HXXVXILHOZECRV-GQCTYLIASA-N 1 2 244.216 2.123 20 30 BEEDLO C#Cc1cc(Nc2ccc(F)cc2O)cc[nH+]1 ZINC001210014980 969756871 /nfs/dbraw/zinc/75/68/71/969756871.db2.gz RMWYTCMVLUENEA-UHFFFAOYSA-N 1 2 228.226 2.073 20 30 BEEDLO COc1cc(Nc2cccnc2C#N)[nH+]cc1C ZINC001210145551 969811555 /nfs/dbraw/zinc/81/15/55/969811555.db2.gz LSZPRECDYCQQNV-UHFFFAOYSA-N 1 2 240.266 2.409 20 30 BEEDLO CC(C)C[C@H](C#N)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254925344 969823799 /nfs/dbraw/zinc/82/37/99/969823799.db2.gz ANPIREQUKRQECZ-MROQNXINSA-N 1 2 234.343 2.272 20 30 BEEDLO C#C[C@@](C)(CC)Nc1ccc(NC)[nH+]c1 ZINC001169701111 969824730 /nfs/dbraw/zinc/82/47/30/969824730.db2.gz BDCMGPUZHCOJMB-LBPRGKRZSA-N 1 2 203.289 2.337 20 30 BEEDLO CCC[C@](C)(C#N)[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254938892 969829527 /nfs/dbraw/zinc/82/95/27/969829527.db2.gz LMHGUXPQOFQQCT-COPLHBTASA-N 1 2 234.343 2.416 20 30 BEEDLO Cc1nsc(Nc2c[nH+]c(C)c(N)c2)c1C#N ZINC001210285698 969852394 /nfs/dbraw/zinc/85/23/94/969852394.db2.gz PHPPPGRUJQQDLD-UHFFFAOYSA-N 1 2 245.311 2.352 20 30 BEEDLO Cc1[nH+]cc(Nc2cc(C#N)ccc2O)cc1N ZINC001210291264 969859573 /nfs/dbraw/zinc/85/95/73/969859573.db2.gz XMNFBYFHYSOZJI-UHFFFAOYSA-N 1 2 240.266 2.293 20 30 BEEDLO C#Cc1cc(Nc2ccc(F)cc2C#N)cc[nH+]1 ZINC001210552707 969937399 /nfs/dbraw/zinc/93/73/99/969937399.db2.gz QMERTOJTVJCQTP-UHFFFAOYSA-N 1 2 237.237 2.239 20 30 BEEDLO CC[C@H](CC#N)[NH2+]CC1(C#N)CCCC1 ZINC001255152240 969955775 /nfs/dbraw/zinc/95/57/75/969955775.db2.gz PANCQAWLYDZRBM-LLVKDONJSA-N 1 2 205.305 2.352 20 30 BEEDLO CCCCC(=O)[C@H](C)[NH2+][C@H](CC)CC#N ZINC001255156091 969965822 /nfs/dbraw/zinc/96/58/22/969965822.db2.gz WNNCACPTQRXWPI-WDEREUQCSA-N 1 2 210.321 2.416 20 30 BEEDLO C#Cc1cc(Nc2ccccc2C#N)cc[nH+]1 ZINC001210734354 970006918 /nfs/dbraw/zinc/00/69/18/970006918.db2.gz CMPLRWNGXSULPD-UHFFFAOYSA-N 1 2 219.247 2.100 20 30 BEEDLO Cc1c[nH+]ccc1NC1=CC(=O)C[C@@H](C)C1 ZINC001210765518 970015800 /nfs/dbraw/zinc/01/58/00/970015800.db2.gz DSNNYMZBLRRTHT-VIFPVBQESA-N 1 2 216.284 2.107 20 30 BEEDLO CC1=CC(=O)C[NH+]=C1NC1=CC(=O)C[C@@H](C)C1 ZINC001210767067 970016775 /nfs/dbraw/zinc/01/67/75/970016775.db2.gz SYGGCQOOEQHVBK-QMMMGPOBSA-N 1 2 232.283 2.390 20 30 BEEDLO COC(=O)[C@H](CS)[NH2+][C@H](C)CCCC(C)C ZINC001170061160 970120169 /nfs/dbraw/zinc/12/01/69/970120169.db2.gz JPYJYBNAXLGOOK-MNOVXSKESA-N 1 2 247.404 2.262 20 30 BEEDLO C#Cc1cc(Nc2ccc(F)c(O)c2)cc[nH+]1 ZINC001211214278 970175786 /nfs/dbraw/zinc/17/57/86/970175786.db2.gz NSSKHNRIRJCTBO-UHFFFAOYSA-N 1 2 228.226 2.073 20 30 BEEDLO CCc1ccc(C)[nH+]c1Nc1ccncc1C#N ZINC001214002306 970410274 /nfs/dbraw/zinc/41/02/74/970410274.db2.gz GVLPHNKAKUGWAP-UHFFFAOYSA-N 1 2 238.294 2.385 20 30 BEEDLO CCc1[nH+]ccc(C)c1Nc1ccncc1C#N ZINC001214011194 970415550 /nfs/dbraw/zinc/41/55/50/970415550.db2.gz HVOHJAZCMIFOIR-UHFFFAOYSA-N 1 2 238.294 2.385 20 30 BEEDLO CC[C@@H]1C[C@H]([NH2+][C@@](C)(C#N)C(C)C)CCO1 ZINC001170168595 970543971 /nfs/dbraw/zinc/54/39/71/970543971.db2.gz JHKCQIXWDICKGK-UPJWGTAASA-N 1 2 224.348 2.472 20 30 BEEDLO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CC1(F)F ZINC001171175440 972800911 /nfs/dbraw/zinc/80/09/11/972800911.db2.gz LCOOLPMMMDKUGD-JOYOIKCWSA-N 1 2 236.265 2.486 20 30 BEEDLO C#Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)cc1 ZINC001144568457 972878156 /nfs/dbraw/zinc/87/81/56/972878156.db2.gz VRTPZSOQZRNBCC-AWEZNQCLSA-N 1 2 245.297 2.171 20 30 BEEDLO C#Cc1ccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)cc1 ZINC001144568457 972878163 /nfs/dbraw/zinc/87/81/63/972878163.db2.gz VRTPZSOQZRNBCC-AWEZNQCLSA-N 1 2 245.297 2.171 20 30 BEEDLO N#CC1(COC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001224953074 974095357 /nfs/dbraw/zinc/09/53/57/974095357.db2.gz SELGNPUWXFJPEO-UHFFFAOYSA-N 1 2 242.322 2.191 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@@H](CC)CC(C)C ZINC001172384833 974728031 /nfs/dbraw/zinc/72/80/31/974728031.db2.gz JWSSIIJNQTYLRP-QWRGUYRKSA-N 1 2 247.404 2.262 20 30 BEEDLO C[C@@H](CCCC#N)[NH2+]CC(=O)OC(C)(C)C ZINC001172481482 974782593 /nfs/dbraw/zinc/78/25/93/974782593.db2.gz UUWYJISUBZPEAI-JTQLQIEISA-N 1 2 226.320 2.000 20 30 BEEDLO C[C@H](CCCC#N)[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001172492015 974840489 /nfs/dbraw/zinc/84/04/89/974840489.db2.gz ISPQJLOHQMELGD-GHMZBOCLSA-N 1 2 246.301 2.161 20 30 BEEDLO C[C@H](CCCC#N)[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001172492015 974840494 /nfs/dbraw/zinc/84/04/94/974840494.db2.gz ISPQJLOHQMELGD-GHMZBOCLSA-N 1 2 246.301 2.161 20 30 BEEDLO CC[C@H]1CC[C@H]([NH2+]C2(C#N)CCOCC2)C1 ZINC001173269128 975139928 /nfs/dbraw/zinc/13/99/28/975139928.db2.gz FTACEIUPAHLJGB-RYUDHWBXSA-N 1 2 222.332 2.227 20 30 BEEDLO Cc1cccc(OC2C[NH+](C(C)C)C2)c1C#N ZINC001226919882 975152215 /nfs/dbraw/zinc/15/22/15/975152215.db2.gz FCVVYOIGXSBBEZ-UHFFFAOYSA-N 1 2 230.311 2.338 20 30 BEEDLO CC[C@@H](C#CC(=O)OC)Oc1c(C)cc[nH+]c1C ZINC001227262552 975339446 /nfs/dbraw/zinc/33/94/46/975339446.db2.gz SCMRRJJKSTXXNH-LBPRGKRZSA-N 1 2 247.294 2.032 20 30 BEEDLO CC[C@@](C)(C#N)[NH2+][C@H](C)CCCCC(=O)OC ZINC001173454074 975396077 /nfs/dbraw/zinc/39/60/77/975396077.db2.gz PLYIUMVBDHZBGG-YPMHNXCESA-N 1 2 240.347 2.390 20 30 BEEDLO C=CC[C@H]([NH2+][C@@H]1CCC12CCC2)C(=O)OCC ZINC001330640093 975809550 /nfs/dbraw/zinc/80/95/50/975809550.db2.gz XWDZTZUOZROFAR-NWDGAFQWSA-N 1 2 237.343 2.417 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nccn1C1CC1 ZINC001333808796 976095880 /nfs/dbraw/zinc/09/58/80/976095880.db2.gz PJCXKKQDFCZWQK-UHFFFAOYSA-N 1 2 205.305 2.226 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nccn1C1CC1 ZINC001333808796 976095893 /nfs/dbraw/zinc/09/58/93/976095893.db2.gz PJCXKKQDFCZWQK-UHFFFAOYSA-N 1 2 205.305 2.226 20 30 BEEDLO C#C[C@@H](C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228326186 976124144 /nfs/dbraw/zinc/12/41/44/976124144.db2.gz GOUIWJIXUYMSHS-MRVPVSSYSA-N 1 2 200.241 2.272 20 30 BEEDLO C#Cc1cc(Nc2ccc(OC)cc2F)cc[nH+]1 ZINC001174142969 976371659 /nfs/dbraw/zinc/37/16/59/976371659.db2.gz QASWHCMMRBETLN-UHFFFAOYSA-N 1 2 242.253 2.376 20 30 BEEDLO O=C1C=C[C@@H](Oc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001229953934 977036050 /nfs/dbraw/zinc/03/60/50/977036050.db2.gz GCMOMLXUVZLAQS-CQSZACIVSA-N 1 2 240.262 2.149 20 30 BEEDLO C#Cc1cc(Nc2cccc3cn(C)nc32)cc[nH+]1 ZINC001175458224 977470736 /nfs/dbraw/zinc/47/07/36/977470736.db2.gz XBASYUKWAGXAJV-UHFFFAOYSA-N 1 2 248.289 2.115 20 30 BEEDLO C#CC(C#C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231084211 977471699 /nfs/dbraw/zinc/47/16/99/977471699.db2.gz ZWLVTBKRCLVQSO-UHFFFAOYSA-N 1 2 236.274 2.101 20 30 BEEDLO C[N@@H+]1CCC=C(Nc2cc(C#N)c(F)cc2O)C1 ZINC001175579059 977595630 /nfs/dbraw/zinc/59/56/30/977595630.db2.gz SNCYGJFAYXMAOV-UHFFFAOYSA-N 1 2 247.273 2.034 20 30 BEEDLO C[N@H+]1CCC=C(Nc2cc(C#N)c(F)cc2O)C1 ZINC001175579059 977595639 /nfs/dbraw/zinc/59/56/39/977595639.db2.gz SNCYGJFAYXMAOV-UHFFFAOYSA-N 1 2 247.273 2.034 20 30 BEEDLO C#Cc1cc(Nc2cccc3c[nH]nc32)cc[nH+]1 ZINC001175635898 977607110 /nfs/dbraw/zinc/60/71/10/977607110.db2.gz MUXOYSKJGVXDQK-UHFFFAOYSA-N 1 2 234.262 2.105 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)C[C@H](C)CCC)C1 ZINC001277570509 977755781 /nfs/dbraw/zinc/75/57/81/977755781.db2.gz KIPWDRCZSPEELH-GFCCVEGCSA-N 1 2 238.375 2.141 20 30 BEEDLO C=C(C)CCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC001336571635 977784131 /nfs/dbraw/zinc/78/41/31/977784131.db2.gz SGCMVGFQOFVWGJ-UHFFFAOYSA-N 1 2 235.331 2.091 20 30 BEEDLO C#CC1CCN(c2ccc(CC)c[nH+]2)CC1 ZINC001336680457 977850048 /nfs/dbraw/zinc/85/00/48/977850048.db2.gz UQSCFCUCMOVRRL-UHFFFAOYSA-N 1 2 214.312 2.494 20 30 BEEDLO COc1cc[nH+]cc1Nc1cccc(C#N)n1 ZINC001176118539 977954418 /nfs/dbraw/zinc/95/44/18/977954418.db2.gz NJKIQOJYEQKWFO-UHFFFAOYSA-N 1 2 226.239 2.100 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cc(F)c(C)c(F)c1 ZINC001232424095 978055447 /nfs/dbraw/zinc/05/54/47/978055447.db2.gz CKCQAVVUUKCBLP-UHFFFAOYSA-N 1 2 233.261 2.342 20 30 BEEDLO C=CCO[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC001336922746 978059569 /nfs/dbraw/zinc/05/95/69/978059569.db2.gz OFZYPKOTRCBLFB-SNVBAGLBSA-N 1 2 222.263 2.002 20 30 BEEDLO C#CC[N@@H+](Cc1cc(C)[nH]n1)C1CCCCC1 ZINC001337020622 978129538 /nfs/dbraw/zinc/12/95/38/978129538.db2.gz XUASUYGKVNDWCE-UHFFFAOYSA-N 1 2 231.343 2.486 20 30 BEEDLO C#CC[N@H+](Cc1cc(C)[nH]n1)C1CCCCC1 ZINC001337020622 978129544 /nfs/dbraw/zinc/12/95/44/978129544.db2.gz XUASUYGKVNDWCE-UHFFFAOYSA-N 1 2 231.343 2.486 20 30 BEEDLO C[N@@H+](Cc1cc(C#N)ccc1O)CC1CC1 ZINC001232673679 978233477 /nfs/dbraw/zinc/23/34/77/978233477.db2.gz KWCKCSOUJPGXSK-UHFFFAOYSA-N 1 2 216.284 2.106 20 30 BEEDLO C[N@H+](Cc1cc(C#N)ccc1O)CC1CC1 ZINC001232673679 978233489 /nfs/dbraw/zinc/23/34/89/978233489.db2.gz KWCKCSOUJPGXSK-UHFFFAOYSA-N 1 2 216.284 2.106 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)C[C@@H]1F ZINC001232674053 978237267 /nfs/dbraw/zinc/23/72/67/978237267.db2.gz RAGUIYPBAOYBDY-SKDRFNHKSA-N 1 2 234.274 2.054 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)C[C@@H]1F ZINC001232674053 978237289 /nfs/dbraw/zinc/23/72/89/978237289.db2.gz RAGUIYPBAOYBDY-SKDRFNHKSA-N 1 2 234.274 2.054 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001232676998 978238930 /nfs/dbraw/zinc/23/89/30/978238930.db2.gz WLLRYLHDVZQDIM-WCFLWFBJSA-N 1 2 246.285 2.196 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001232676998 978238942 /nfs/dbraw/zinc/23/89/42/978238942.db2.gz WLLRYLHDVZQDIM-WCFLWFBJSA-N 1 2 246.285 2.196 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC001232678644 978242178 /nfs/dbraw/zinc/24/21/78/978242178.db2.gz LIFGZWRXPNDJFZ-WCQYABFASA-N 1 2 228.295 2.248 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC001232678644 978242186 /nfs/dbraw/zinc/24/21/86/978242186.db2.gz LIFGZWRXPNDJFZ-WCQYABFASA-N 1 2 228.295 2.248 20 30 BEEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC001232679150 978245783 /nfs/dbraw/zinc/24/57/83/978245783.db2.gz FDRZWCMGTOFWEL-LBPRGKRZSA-N 1 2 248.301 2.445 20 30 BEEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CF)C2)c1 ZINC001232679150 978245789 /nfs/dbraw/zinc/24/57/89/978245789.db2.gz FDRZWCMGTOFWEL-LBPRGKRZSA-N 1 2 248.301 2.445 20 30 BEEDLO CC[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232681883 978247391 /nfs/dbraw/zinc/24/73/91/978247391.db2.gz XINPTSMCBUINCP-LLVKDONJSA-N 1 2 230.311 2.496 20 30 BEEDLO CC[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232681883 978247399 /nfs/dbraw/zinc/24/73/99/978247399.db2.gz XINPTSMCBUINCP-LLVKDONJSA-N 1 2 230.311 2.496 20 30 BEEDLO CCCn1cnc(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC001232798809 978280894 /nfs/dbraw/zinc/28/08/94/978280894.db2.gz MOXPNSMLAVYTGE-CYBMUJFWSA-N 1 2 246.358 2.419 20 30 BEEDLO CCCn1cnc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC001232798809 978280906 /nfs/dbraw/zinc/28/09/06/978280906.db2.gz MOXPNSMLAVYTGE-CYBMUJFWSA-N 1 2 246.358 2.419 20 30 BEEDLO Cc1cc(O)cc(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001232886740 978327352 /nfs/dbraw/zinc/32/73/52/978327352.db2.gz WLNUHYUXEIUDTM-LLVKDONJSA-N 1 2 216.284 2.046 20 30 BEEDLO CO[C@H](C)C1C[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001232892926 978331033 /nfs/dbraw/zinc/33/10/33/978331033.db2.gz BHBXZSPYLVUJNX-SNVBAGLBSA-N 1 2 248.301 2.164 20 30 BEEDLO N#Cc1cccc(C[N@H+]2CCCC[C@@H](F)C2)n1 ZINC001232921722 978337209 /nfs/dbraw/zinc/33/72/09/978337209.db2.gz FVYWVNHLKDBQMK-LLVKDONJSA-N 1 2 233.290 2.277 20 30 BEEDLO N#Cc1cccc(C[N@@H+]2CCCC[C@@H](F)C2)n1 ZINC001232921722 978337214 /nfs/dbraw/zinc/33/72/14/978337214.db2.gz FVYWVNHLKDBQMK-LLVKDONJSA-N 1 2 233.290 2.277 20 30 BEEDLO N#CC[C@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233047227 978438283 /nfs/dbraw/zinc/43/82/83/978438283.db2.gz SFTHFVIYCABCSX-LLVKDONJSA-N 1 2 228.299 2.012 20 30 BEEDLO N#CC[C@H]1CCC[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233047227 978438297 /nfs/dbraw/zinc/43/82/97/978438297.db2.gz SFTHFVIYCABCSX-LLVKDONJSA-N 1 2 228.299 2.012 20 30 BEEDLO C=CCN(CCOC)c1ccc(CC)c[nH+]1 ZINC001337847086 978522624 /nfs/dbraw/zinc/52/26/24/978522624.db2.gz REOVGUYSTDXGQF-UHFFFAOYSA-N 1 2 220.316 2.283 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc2c1CCO2 ZINC001233276487 978525045 /nfs/dbraw/zinc/52/50/45/978525045.db2.gz NNUJSPNAHYBRTO-UHFFFAOYSA-N 1 2 230.311 2.357 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc2c1CCO2 ZINC001233276487 978525052 /nfs/dbraw/zinc/52/50/52/978525052.db2.gz NNUJSPNAHYBRTO-UHFFFAOYSA-N 1 2 230.311 2.357 20 30 BEEDLO N#CCC[N@@H+](Cc1cccc(N)n1)C1CCCC1 ZINC001233371340 978583615 /nfs/dbraw/zinc/58/36/15/978583615.db2.gz LIWDJFRTPOECSH-UHFFFAOYSA-N 1 2 244.342 2.322 20 30 BEEDLO N#CCC[N@H+](Cc1cccc(N)n1)C1CCCC1 ZINC001233371340 978583621 /nfs/dbraw/zinc/58/36/21/978583621.db2.gz LIWDJFRTPOECSH-UHFFFAOYSA-N 1 2 244.342 2.322 20 30 BEEDLO N#CCCN(Cc1cccc(N)[nH+]1)C1CCCC1 ZINC001233371340 978583626 /nfs/dbraw/zinc/58/36/26/978583626.db2.gz LIWDJFRTPOECSH-UHFFFAOYSA-N 1 2 244.342 2.322 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1ccnn1CC1CCC1 ZINC001179479543 978710345 /nfs/dbraw/zinc/71/03/45/978710345.db2.gz OXBSJEFRJUVVMI-LLVKDONJSA-N 1 2 232.331 2.075 20 30 BEEDLO CC(C)(C)[NH+]1CC(Oc2ccccc2C=NO)C1 ZINC001234818505 978905958 /nfs/dbraw/zinc/90/59/58/978905958.db2.gz ACCJKXOJWZFPIZ-UHFFFAOYSA-N 1 2 248.326 2.356 20 30 BEEDLO C=CCSCC(=O)Nc1cccc2[nH+]ccn21 ZINC001180555795 978907144 /nfs/dbraw/zinc/90/71/44/978907144.db2.gz VWYXDMCBQWXIBR-UHFFFAOYSA-N 1 2 247.323 2.192 20 30 BEEDLO CCOc1cc(O)cc(C[NH+]2CC(CC#N)C2)c1 ZINC001235385000 979034318 /nfs/dbraw/zinc/03/43/18/979034318.db2.gz HIRQWJCSPVUIDC-UHFFFAOYSA-N 1 2 246.310 2.136 20 30 BEEDLO CC/C=C\CCCCC[N@@H+]1CCN[C@H](C#N)C1 ZINC001235913508 979202212 /nfs/dbraw/zinc/20/22/12/979202212.db2.gz NIXRLPIGUXEFFD-VQTKUKTRSA-N 1 2 235.375 2.310 20 30 BEEDLO CC/C=C\CCCCC[N@H+]1CCN[C@H](C#N)C1 ZINC001235913508 979202223 /nfs/dbraw/zinc/20/22/23/979202223.db2.gz NIXRLPIGUXEFFD-VQTKUKTRSA-N 1 2 235.375 2.310 20 30 BEEDLO C#CC[N@@H+](C)Cc1cc(C2CC2)cnc1OC ZINC001238029561 980128927 /nfs/dbraw/zinc/12/89/27/980128927.db2.gz VYPRABNYYLZHJQ-UHFFFAOYSA-N 1 2 230.311 2.033 20 30 BEEDLO C#CC[N@H+](C)Cc1cc(C2CC2)cnc1OC ZINC001238029561 980128932 /nfs/dbraw/zinc/12/89/32/980128932.db2.gz VYPRABNYYLZHJQ-UHFFFAOYSA-N 1 2 230.311 2.033 20 30 BEEDLO CCc1cc(C[N@@H+]2CC[C@H](C#N)C2)ccc1C#N ZINC001238778762 980320990 /nfs/dbraw/zinc/32/09/90/980320990.db2.gz QLBDJQKQPQRHPF-CYBMUJFWSA-N 1 2 239.322 2.466 20 30 BEEDLO CCc1cc(C[N@H+]2CC[C@H](C#N)C2)ccc1C#N ZINC001238778762 980320998 /nfs/dbraw/zinc/32/09/98/980320998.db2.gz QLBDJQKQPQRHPF-CYBMUJFWSA-N 1 2 239.322 2.466 20 30 BEEDLO CCc1cc(C[N@@H+]2CCOC[C@@H]2C)ccc1C#N ZINC001238767439 980323006 /nfs/dbraw/zinc/32/30/06/980323006.db2.gz VGAKKGIFARIMPK-LBPRGKRZSA-N 1 2 244.338 2.341 20 30 BEEDLO CCc1cc(C[N@H+]2CCOC[C@@H]2C)ccc1C#N ZINC001238767439 980323012 /nfs/dbraw/zinc/32/30/12/980323012.db2.gz VGAKKGIFARIMPK-LBPRGKRZSA-N 1 2 244.338 2.341 20 30 BEEDLO C=C(C)Cc1cc[nH+]c(N2CCOCC2)c1 ZINC001250246083 980394584 /nfs/dbraw/zinc/39/45/84/980394584.db2.gz HAPRLXQNRZHTRI-UHFFFAOYSA-N 1 2 218.300 2.037 20 30 BEEDLO N#Cc1ncc(-c2cccc3[nH+]ccn32)cc1F ZINC001238991807 980409507 /nfs/dbraw/zinc/40/95/07/980409507.db2.gz AIDYITNOMWGZJJ-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO Cc1cc(-c2cnc(C#N)c(F)c2)c[nH+]c1N ZINC001238991192 980410115 /nfs/dbraw/zinc/41/01/15/980410115.db2.gz IVALMGKLJFUPJG-UHFFFAOYSA-N 1 2 228.230 2.045 20 30 BEEDLO C#Cc1cc(Nc2cc(C)c[nH+]c2C)ccn1 ZINC001203654097 980475635 /nfs/dbraw/zinc/47/56/35/980475635.db2.gz CXNQVQZLVFHBSF-UHFFFAOYSA-N 1 2 223.279 2.240 20 30 BEEDLO C=C(CC)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001346403988 980827949 /nfs/dbraw/zinc/82/79/49/980827949.db2.gz NLOBKLPVFIOUJS-NSHDSACASA-N 1 2 233.315 2.082 20 30 BEEDLO C[C@H](CC(=O)O[C@@H](CC#N)C1CC1)n1cc[nH+]c1 ZINC001346708129 980889621 /nfs/dbraw/zinc/88/96/21/980889621.db2.gz YTUALYZCZMGZRC-PWSUYJOCSA-N 1 2 247.298 2.070 20 30 BEEDLO CCOc1cccc(C[N@H+](C)CCC#N)c1 ZINC000157759138 981000205 /nfs/dbraw/zinc/00/02/05/981000205.db2.gz MOWQNPPDBFURNN-UHFFFAOYSA-N 1 2 218.300 2.431 20 30 BEEDLO CCOc1cccc(C[N@@H+](C)CCC#N)c1 ZINC000157759138 981000212 /nfs/dbraw/zinc/00/02/12/981000212.db2.gz MOWQNPPDBFURNN-UHFFFAOYSA-N 1 2 218.300 2.431 20 30 BEEDLO N#Cc1ccc(-c2ccc[nH+]c2N)cc1F ZINC001240151646 981150157 /nfs/dbraw/zinc/15/01/57/981150157.db2.gz CROHSYGTQFPMFG-UHFFFAOYSA-N 1 2 213.215 2.342 20 30 BEEDLO N#Cc1cc(-c2ccc3[nH+]ccn3c2)ccn1 ZINC001240217935 981166082 /nfs/dbraw/zinc/16/60/82/981166082.db2.gz RRBACPDIVRPSOM-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO N#Cc1ncc(F)cc1-c1ccn2cc[nH+]c2c1 ZINC001240508523 981430743 /nfs/dbraw/zinc/43/07/43/981430743.db2.gz AVPDBQPVGJVNRM-UHFFFAOYSA-N 1 2 238.225 2.407 20 30 BEEDLO C=C(CC)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001349312858 981530871 /nfs/dbraw/zinc/53/08/71/981530871.db2.gz XHTPYEXBGSIHRJ-QWHCGFSZSA-N 1 2 247.342 2.259 20 30 BEEDLO C=CCO[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001349637652 981602089 /nfs/dbraw/zinc/60/20/89/981602089.db2.gz XCOFBDFQHGOMJF-CYBMUJFWSA-N 1 2 248.326 2.329 20 30 BEEDLO C=CCO[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001349637652 981602098 /nfs/dbraw/zinc/60/20/98/981602098.db2.gz XCOFBDFQHGOMJF-CYBMUJFWSA-N 1 2 248.326 2.329 20 30 BEEDLO CCCCCCCCOC(=O)NC1C[NH+](C)C1 ZINC001194747517 981863641 /nfs/dbraw/zinc/86/36/41/981863641.db2.gz DZDIOZNVIGOWSQ-UHFFFAOYSA-N 1 2 242.363 2.387 20 30 BEEDLO C=CC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001586201461 981979873 /nfs/dbraw/zinc/97/98/73/981979873.db2.gz WOKNLDONZZFKJN-JTQLQIEISA-N 1 2 229.283 2.029 20 30 BEEDLO N#CCc1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001241161902 982299251 /nfs/dbraw/zinc/29/92/51/982299251.db2.gz ASNDYLZTLMSFNE-UHFFFAOYSA-N 1 2 209.252 2.397 20 30 BEEDLO N#Cc1cccc(C#N)c1Nc1ccc(N)[nH+]c1 ZINC001201284231 983157660 /nfs/dbraw/zinc/15/76/60/983157660.db2.gz OMRQOJRNJCINSM-UHFFFAOYSA-N 1 2 235.250 2.151 20 30 BEEDLO C#Cc1ccccc1Nc1ccc(N)[nH+]c1 ZINC001201291868 983170210 /nfs/dbraw/zinc/17/02/10/983170210.db2.gz HCHKTZDARBEANY-UHFFFAOYSA-N 1 2 209.252 2.389 20 30 BEEDLO CC(C)[NH2+]c1ccc(-n2cnc(C#N)c2N)cc1 ZINC001201489958 983256777 /nfs/dbraw/zinc/25/67/77/983256777.db2.gz YMXUNWOZJWPVTM-UHFFFAOYSA-N 1 2 241.298 2.146 20 30 BEEDLO Cc1cnc(-c2c[nH+]c(N)cc2C)c(C#N)c1 ZINC001242070789 983304036 /nfs/dbraw/zinc/30/40/36/983304036.db2.gz LROLTQQQRNFDLF-UHFFFAOYSA-N 1 2 224.267 2.214 20 30 BEEDLO CCCCC[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201727202 983431914 /nfs/dbraw/zinc/43/19/14/983431914.db2.gz NUHZIRIFKNRHQT-LLVKDONJSA-N 1 2 225.357 2.451 20 30 BEEDLO CCCCC[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001201727202 983431917 /nfs/dbraw/zinc/43/19/17/983431917.db2.gz NUHZIRIFKNRHQT-LLVKDONJSA-N 1 2 225.357 2.451 20 30 BEEDLO C#Cc1ccc(-c2nc(NC3CC3)cc(C)[nH+]2)cc1 ZINC001242291979 983516522 /nfs/dbraw/zinc/51/65/22/983516522.db2.gz JAYGDIMFESOFLQ-UHFFFAOYSA-N 1 2 249.317 2.430 20 30 BEEDLO N#Cc1ncccc1-c1ccc2[nH+]ccn2c1 ZINC001242311100 983539377 /nfs/dbraw/zinc/53/93/77/983539377.db2.gz MCUJMHJVLKTBDE-UHFFFAOYSA-N 1 2 220.235 2.268 20 30 BEEDLO CC1(C)CC(=O)C=C(c2ccc(N)[nH+]c2)C1 ZINC001242316612 983551620 /nfs/dbraw/zinc/55/16/20/983551620.db2.gz OGIHAFRCNFASLZ-UHFFFAOYSA-N 1 2 216.284 2.436 20 30 BEEDLO C=CCC[C@@H](O)CNc1c[nH+]c(C)cc1C ZINC001252591687 983841845 /nfs/dbraw/zinc/84/18/45/983841845.db2.gz ZMRZWPCWIBQIFS-GFCCVEGCSA-N 1 2 220.316 2.437 20 30 BEEDLO N#Cc1cc(F)ccc1-c1cc[nH+]c(N)c1 ZINC001242581612 983894532 /nfs/dbraw/zinc/89/45/32/983894532.db2.gz FVEUOVIFBPBRLY-UHFFFAOYSA-N 1 2 213.215 2.342 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001446813446 984682571 /nfs/dbraw/zinc/68/25/71/984682571.db2.gz ZPVHVBOWHXJXPU-SNVBAGLBSA-N 1 2 235.331 2.122 20 30 BEEDLO C=C[C@@H]1C[C@@]1([NH2+]C(CC)CC)C(=O)OCC ZINC001257290904 984871423 /nfs/dbraw/zinc/87/14/23/984871423.db2.gz MWQBHNKSFQZDIT-MFKMUULPSA-N 1 2 225.332 2.272 20 30 BEEDLO CCCC[C@H](CC)[NH2+][C@@H](CS)C(=O)OC ZINC001257411700 984962600 /nfs/dbraw/zinc/96/26/00/984962600.db2.gz YJSNRWFXUGCVFL-UWVGGRQHSA-N 1 2 233.377 2.016 20 30 BEEDLO CO/N=C/c1cc(-c2ccc[nH+]c2N)ccc1F ZINC001243476989 985038051 /nfs/dbraw/zinc/03/80/51/985038051.db2.gz HOVRMHRRVGNEBH-CAOOACKPSA-N 1 2 245.257 2.450 20 30 BEEDLO N#Cc1ccc(-c2ccc[nH+]c2N)c(C#N)c1 ZINC001243476969 985040066 /nfs/dbraw/zinc/04/00/66/985040066.db2.gz XEVFHFXPEOXGKJ-UHFFFAOYSA-N 1 2 220.235 2.074 20 30 BEEDLO C#CCCCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000686684868 985204322 /nfs/dbraw/zinc/20/43/22/985204322.db2.gz MJNYCPKVKNMSRY-NSHDSACASA-N 1 2 249.276 2.443 20 30 BEEDLO C#CCCCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000686684868 985204344 /nfs/dbraw/zinc/20/43/44/985204344.db2.gz MJNYCPKVKNMSRY-NSHDSACASA-N 1 2 249.276 2.443 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1nc(C(C)C)no1 ZINC000692031360 985216632 /nfs/dbraw/zinc/21/66/32/985216632.db2.gz IFLXUPVQAZSFRU-GFCCVEGCSA-N 1 2 221.304 2.085 20 30 BEEDLO N#Cc1ccc2ncc(C3=C[NH2+]CCC3)nc2c1 ZINC001243948403 985628807 /nfs/dbraw/zinc/62/88/07/985628807.db2.gz FJMLINFAHWACIF-UHFFFAOYSA-N 1 2 236.278 2.226 20 30 BEEDLO CSC(C)(C)C[C@@H](C)[NH+]1CC(C#N)C1 ZINC001258332230 985810992 /nfs/dbraw/zinc/81/09/92/985810992.db2.gz VIEIUZZQCQQOTR-SECBINFHSA-N 1 2 212.362 2.362 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1c(C)cc(C)cc1C ZINC001460223965 985806546 /nfs/dbraw/zinc/80/65/46/985806546.db2.gz SVWTURXCRMOYCU-OAHLLOKOSA-N 1 2 243.350 2.446 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1c(C)cc(C)cc1C ZINC001460223965 985806547 /nfs/dbraw/zinc/80/65/47/985806547.db2.gz SVWTURXCRMOYCU-OAHLLOKOSA-N 1 2 243.350 2.446 20 30 BEEDLO N#Cc1cc(-c2ccn3cc[nH+]c3c2)ccc1N ZINC001244112068 985819667 /nfs/dbraw/zinc/81/96/67/985819667.db2.gz HOXAKHMWUSQXLA-UHFFFAOYSA-N 1 2 234.262 2.455 20 30 BEEDLO C=C[C@@H]1C[C@]1([NH2+][C@H](C)CC1CC1)C(=O)OCC ZINC001258453638 985897792 /nfs/dbraw/zinc/89/77/92/985897792.db2.gz BYXSXPBXYVPGKF-MPKXVKKWSA-N 1 2 237.343 2.272 20 30 BEEDLO Cc1[nH]nc(NCc2cc(C)[nH+]c(C)c2)c1C#N ZINC001461561149 986080708 /nfs/dbraw/zinc/08/07/08/986080708.db2.gz ZLNHUHKMSAIGIU-UHFFFAOYSA-N 1 2 241.298 2.214 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001461899325 986228028 /nfs/dbraw/zinc/22/80/28/986228028.db2.gz NYJXEGCWSDXLGJ-MRVPVSSYSA-N 1 2 240.253 2.404 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001461899325 986228039 /nfs/dbraw/zinc/22/80/39/986228039.db2.gz NYJXEGCWSDXLGJ-MRVPVSSYSA-N 1 2 240.253 2.404 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001461899336 986228443 /nfs/dbraw/zinc/22/84/43/986228443.db2.gz NYJXEGCWSDXLGJ-QMMMGPOBSA-N 1 2 240.253 2.404 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001461899336 986228463 /nfs/dbraw/zinc/22/84/63/986228463.db2.gz NYJXEGCWSDXLGJ-QMMMGPOBSA-N 1 2 240.253 2.404 20 30 BEEDLO CNc1ccccc1C[N@H+](C)C[C@@H](C)C#N ZINC001461967405 986252154 /nfs/dbraw/zinc/25/21/54/986252154.db2.gz ODXVNQDRLJRHGK-NSHDSACASA-N 1 2 217.316 2.320 20 30 BEEDLO CNc1ccccc1C[N@@H+](C)C[C@@H](C)C#N ZINC001461967405 986252163 /nfs/dbraw/zinc/25/21/63/986252163.db2.gz ODXVNQDRLJRHGK-NSHDSACASA-N 1 2 217.316 2.320 20 30 BEEDLO Cc1cc(C)c(C[N@@H+]2CCC[C@H](C#N)C2)[nH]1 ZINC001137329514 986782092 /nfs/dbraw/zinc/78/20/92/986782092.db2.gz CWCOAQZVIGAXJK-GFCCVEGCSA-N 1 2 217.316 2.367 20 30 BEEDLO Cc1cc(C)c(C[N@H+]2CCC[C@H](C#N)C2)[nH]1 ZINC001137329514 986782108 /nfs/dbraw/zinc/78/21/08/986782108.db2.gz CWCOAQZVIGAXJK-GFCCVEGCSA-N 1 2 217.316 2.367 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@@H](CO)c1cccc(F)c1 ZINC001255154513 986824495 /nfs/dbraw/zinc/82/44/95/986824495.db2.gz IOIFPPOLEXLELX-STQMWFEESA-N 1 2 236.290 2.141 20 30 BEEDLO CC[C@H](CC#N)[NH2+][C@@H](CO)c1cccc(F)c1 ZINC001255154510 986825432 /nfs/dbraw/zinc/82/54/32/986825432.db2.gz IOIFPPOLEXLELX-OLZOCXBDSA-N 1 2 236.290 2.141 20 30 BEEDLO CC[C@H](CC#N)[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001255176256 986870426 /nfs/dbraw/zinc/87/04/26/986870426.db2.gz YUIBDEASRRDARS-NXEZZACHSA-N 1 2 228.336 2.208 20 30 BEEDLO Cc1cc(-c2cc(C#N)cc(C#N)c2)c[nH+]c1N ZINC001245538492 986918061 /nfs/dbraw/zinc/91/80/61/986918061.db2.gz LTEWZLXFSITREX-UHFFFAOYSA-N 1 2 234.262 2.383 20 30 BEEDLO Cc1cc(-c2ccc3[nH]c(C#N)cc3n2)c[nH+]c1N ZINC001245538386 986921133 /nfs/dbraw/zinc/92/11/33/986921133.db2.gz NFRHOPFEKOQWPR-UHFFFAOYSA-N 1 2 249.277 2.387 20 30 BEEDLO Cc1cnc(-c2c[nH+]c(N)c(C)c2)c(/C=N/O)c1 ZINC001245539877 986927643 /nfs/dbraw/zinc/92/76/43/986927643.db2.gz YEPISTKBDXMMRL-REZTVBANSA-N 1 2 242.282 2.151 20 30 BEEDLO CC[C@@](C)(C#N)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001472094557 987177179 /nfs/dbraw/zinc/17/71/79/987177179.db2.gz BJPOTPZFXPCNFJ-ZDUSSCGKSA-N 1 2 248.330 2.089 20 30 BEEDLO CC[C@@](C)(C#N)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001472094557 987177187 /nfs/dbraw/zinc/17/71/87/987177187.db2.gz BJPOTPZFXPCNFJ-ZDUSSCGKSA-N 1 2 248.330 2.089 20 30 BEEDLO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)nc1 ZINC000780557745 987278072 /nfs/dbraw/zinc/27/80/72/987278072.db2.gz CHJLYRYABSYSNM-UHFFFAOYSA-N 1 2 247.685 2.489 20 30 BEEDLO N#Cc1cc(CNc2cc(CO)cc[nH+]2)cs1 ZINC001474188011 987659217 /nfs/dbraw/zinc/65/92/17/987659217.db2.gz DBTQRDYWRZGFCN-UHFFFAOYSA-N 1 2 245.307 2.119 20 30 BEEDLO C=CCC[N@@H+](C)Cc1c(Cl)nc(OC)n1C ZINC001116720839 987680089 /nfs/dbraw/zinc/68/00/89/987680089.db2.gz HPTLKFJZDJYHCY-UHFFFAOYSA-N 1 2 243.738 2.090 20 30 BEEDLO C=CCC[N@H+](C)Cc1c(Cl)nc(OC)n1C ZINC001116720839 987680094 /nfs/dbraw/zinc/68/00/94/987680094.db2.gz HPTLKFJZDJYHCY-UHFFFAOYSA-N 1 2 243.738 2.090 20 30 BEEDLO CC(C)(C)C1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001246596736 988198136 /nfs/dbraw/zinc/19/81/36/988198136.db2.gz YCAGLHBIFSXIBH-RUXDESIVSA-N 1 2 249.402 2.389 20 30 BEEDLO CCCCC[C@@H](CC)N1CC[NH2+]C[C@@H]1C#N ZINC001246596684 988199487 /nfs/dbraw/zinc/19/94/87/988199487.db2.gz XRANMZXBNAUKLK-OLZOCXBDSA-N 1 2 223.364 2.143 20 30 BEEDLO CCCCCC[C@H](C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246836085 988532061 /nfs/dbraw/zinc/53/20/61/988532061.db2.gz MSAVQCQLCPZUHO-QWHCGFSZSA-N 1 2 223.364 2.143 20 30 BEEDLO CCCCCC[C@H](C)[N@H+]1CCN[C@H](C#N)C1 ZINC001246836085 988532068 /nfs/dbraw/zinc/53/20/68/988532068.db2.gz MSAVQCQLCPZUHO-QWHCGFSZSA-N 1 2 223.364 2.143 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1ccc(F)cc1 ZINC001324270388 988775795 /nfs/dbraw/zinc/77/57/95/988775795.db2.gz QUTTUNUWLKUZPM-CQSZACIVSA-N 1 2 243.285 2.321 20 30 BEEDLO C=CCCCNC(=S)Nc1cc[nH+]c(C)c1 ZINC001247689671 988985818 /nfs/dbraw/zinc/98/58/18/988985818.db2.gz CRHWEAKMAMRQSO-UHFFFAOYSA-N 1 2 235.356 2.065 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001248751578 989141544 /nfs/dbraw/zinc/14/15/44/989141544.db2.gz BKSAZFVATPTGEN-GASCZTMLSA-N 1 2 242.322 2.094 20 30 BEEDLO CCc1cc(C#N)ccc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001248751578 989141548 /nfs/dbraw/zinc/14/15/48/989141548.db2.gz BKSAZFVATPTGEN-GASCZTMLSA-N 1 2 242.322 2.094 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3n2CCC3)C1 ZINC001248825276 989190846 /nfs/dbraw/zinc/19/08/46/989190846.db2.gz XLHSAWZQQRYAOJ-AWEZNQCLSA-N 1 2 229.327 2.170 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3n2CCC3)C1 ZINC001248825276 989190859 /nfs/dbraw/zinc/19/08/59/989190859.db2.gz XLHSAWZQQRYAOJ-AWEZNQCLSA-N 1 2 229.327 2.170 20 30 BEEDLO C#Cc1cc(Nc2ccc(F)c(N)c2C)cc[nH+]1 ZINC001249629515 989325518 /nfs/dbraw/zinc/32/55/18/989325518.db2.gz GNWRPZDUWMJYAF-UHFFFAOYSA-N 1 2 241.269 2.258 20 30 BEEDLO C=C[C@H](CC)CC(=O)NCCNc1cccc[nH+]1 ZINC001119936134 989492305 /nfs/dbraw/zinc/49/23/05/989492305.db2.gz DJEMVJVVZDXJQF-GFCCVEGCSA-N 1 2 247.342 2.212 20 30 BEEDLO C=CCO[C@H]1CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001120833391 989909925 /nfs/dbraw/zinc/90/99/25/989909925.db2.gz NQOWDJCYYRGNCZ-LBPRGKRZSA-N 1 2 236.290 2.310 20 30 BEEDLO CCOc1cccc(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001138101247 990882498 /nfs/dbraw/zinc/88/24/98/990882498.db2.gz SLURDXQLQLFNFU-ZDUSSCGKSA-N 1 2 230.311 2.431 20 30 BEEDLO CCOc1cccc(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001138101247 990882501 /nfs/dbraw/zinc/88/25/01/990882501.db2.gz SLURDXQLQLFNFU-ZDUSSCGKSA-N 1 2 230.311 2.431 20 30 BEEDLO CCCn1ncc(C[N@@H+]2CC[C@](C)(C#N)C2)c1C ZINC001138640971 990993931 /nfs/dbraw/zinc/99/39/31/990993931.db2.gz AQDLBLLWPJMFGN-CQSZACIVSA-N 1 2 246.358 2.337 20 30 BEEDLO CCCn1ncc(C[N@H+]2CC[C@](C)(C#N)C2)c1C ZINC001138640971 990993939 /nfs/dbraw/zinc/99/39/39/990993939.db2.gz AQDLBLLWPJMFGN-CQSZACIVSA-N 1 2 246.358 2.337 20 30 BEEDLO N#C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001138716720 991017955 /nfs/dbraw/zinc/01/79/55/991017955.db2.gz VOQPRAUXDGNFFW-CYBMUJFWSA-N 1 2 242.322 2.357 20 30 BEEDLO N#C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001138716720 991017964 /nfs/dbraw/zinc/01/79/64/991017964.db2.gz VOQPRAUXDGNFFW-CYBMUJFWSA-N 1 2 242.322 2.357 20 30 BEEDLO C[C@@H]1CC([NH2+]C2(C#N)CCOCC2)C[C@@H](C)C1 ZINC001258156140 991044023 /nfs/dbraw/zinc/04/40/23/991044023.db2.gz NAYVHIZIYMXKES-RYUDHWBXSA-N 1 2 236.359 2.473 20 30 BEEDLO C=CC[N@@H+](Cc1ccn(CC)n1)C1CC1 ZINC001308674019 991089512 /nfs/dbraw/zinc/08/95/12/991089512.db2.gz JQPNXIBNRUBCAE-UHFFFAOYSA-N 1 2 205.305 2.053 20 30 BEEDLO C=CC[N@H+](Cc1ccn(CC)n1)C1CC1 ZINC001308674019 991089523 /nfs/dbraw/zinc/08/95/23/991089523.db2.gz JQPNXIBNRUBCAE-UHFFFAOYSA-N 1 2 205.305 2.053 20 30 BEEDLO C=C(Br)Cn1c[nH+]c(CC)c1 ZINC001559466177 991112936 /nfs/dbraw/zinc/11/29/36/991112936.db2.gz NKLWPEZFOWDDQG-UHFFFAOYSA-N 1 2 215.094 2.354 20 30 BEEDLO C=CCOc1ccccc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001139030968 991128065 /nfs/dbraw/zinc/12/80/65/991128065.db2.gz ZXUUTNSFONUNID-OKILXGFUSA-N 1 2 245.322 2.225 20 30 BEEDLO C=CCOc1ccccc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001139030968 991128071 /nfs/dbraw/zinc/12/80/71/991128071.db2.gz ZXUUTNSFONUNID-OKILXGFUSA-N 1 2 245.322 2.225 20 30 BEEDLO N#Cc1ccc(F)c(C[NH+]2CC=CC2)c1 ZINC001139646671 991304310 /nfs/dbraw/zinc/30/43/10/991304310.db2.gz CRIIMOWXBRXVRL-UHFFFAOYSA-N 1 2 202.232 2.069 20 30 BEEDLO C=CCn1cc(C[N@@H+](C)Cc2cccnc2)cn1 ZINC001139766921 991362245 /nfs/dbraw/zinc/36/22/45/991362245.db2.gz YYJINUAYOGPZFV-UHFFFAOYSA-N 1 2 242.326 2.096 20 30 BEEDLO C=CCn1cc(C[N@H+](C)Cc2cccnc2)cn1 ZINC001139766921 991362248 /nfs/dbraw/zinc/36/22/48/991362248.db2.gz YYJINUAYOGPZFV-UHFFFAOYSA-N 1 2 242.326 2.096 20 30 BEEDLO C#CC[C@H]([NH2+][C@H](CC)CCCCC)C(=O)OC ZINC001258433996 991370178 /nfs/dbraw/zinc/37/01/78/991370178.db2.gz DAIRRBWJAXUVHI-OLZOCXBDSA-N 1 2 239.359 2.500 20 30 BEEDLO C#Cc1ccc(NCc2c[nH+]cn2C)cc1 ZINC001560613223 991517347 /nfs/dbraw/zinc/51/73/47/991517347.db2.gz OYLPOHLPHJGNBC-UHFFFAOYSA-N 1 2 211.268 2.014 20 30 BEEDLO C=C(C)C[NH+]1CC(NC(=O)C(C)(C)CCC)C1 ZINC001318059707 991617022 /nfs/dbraw/zinc/61/70/22/991617022.db2.gz UWLZOGSIXCFMEO-UHFFFAOYSA-N 1 2 238.375 2.189 20 30 BEEDLO C=CCC[C@@H](C)[NH2+]C1(C#N)CCOCC1 ZINC001258723187 991656293 /nfs/dbraw/zinc/65/62/93/991656293.db2.gz SWVHBVVOOAJMNG-LLVKDONJSA-N 1 2 208.305 2.003 20 30 BEEDLO CCOC(=O)[C@H](CS)[NH2+][C@H]1CCC[C@H](C)C1 ZINC001258808653 991814868 /nfs/dbraw/zinc/81/48/68/991814868.db2.gz PITBKVUQBJIUIJ-DCAQKATOSA-N 1 2 245.388 2.016 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001319829649 991996985 /nfs/dbraw/zinc/99/69/85/991996985.db2.gz SRPVLNVHXRHSBM-NWDGAFQWSA-N 1 2 235.331 2.305 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(C)s1)CC1CC1 ZINC001320557845 992248988 /nfs/dbraw/zinc/24/89/88/992248988.db2.gz GDCBICPKABAZGD-UHFFFAOYSA-N 1 2 220.341 2.297 20 30 BEEDLO C#CC[N@H+](Cc1ncc(C)s1)CC1CC1 ZINC001320557845 992249006 /nfs/dbraw/zinc/24/90/06/992249006.db2.gz GDCBICPKABAZGD-UHFFFAOYSA-N 1 2 220.341 2.297 20 30 BEEDLO C=CC(C)(C)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001261830398 992523830 /nfs/dbraw/zinc/52/38/30/992523830.db2.gz VIHFEQRXQUNWOK-NSHDSACASA-N 1 2 235.331 2.163 20 30 BEEDLO C=C(Br)C[NH2+]Cc1ccc(OC)o1 ZINC001262360459 992858045 /nfs/dbraw/zinc/85/80/45/992858045.db2.gz HGTGRWIMYPZWGP-UHFFFAOYSA-N 1 2 246.104 2.286 20 30 BEEDLO C=C(C)CCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC001262616746 992966334 /nfs/dbraw/zinc/96/63/34/992966334.db2.gz XZOLOLGQMUWCMA-GFCCVEGCSA-N 1 2 247.342 2.092 20 30 BEEDLO C[C@H]1C[C@@H]([NH2+]CCC#N)CN1Cc1ccccc1 ZINC000382033240 993437420 /nfs/dbraw/zinc/43/74/20/993437420.db2.gz FJEQORJUTKQDOC-DZGCQCFKSA-N 1 2 243.354 2.153 20 30 BEEDLO CC[C@H](C)[C@@H](C)[N@@H+]1CCO[C@](C)(C#N)C1 ZINC001308113418 995554850 /nfs/dbraw/zinc/55/48/50/995554850.db2.gz DVCUDXHZZWARNN-QJPTWQEYSA-N 1 2 210.321 2.035 20 30 BEEDLO CC[C@H](C)[C@@H](C)[N@H+]1CCO[C@](C)(C#N)C1 ZINC001308113418 995554862 /nfs/dbraw/zinc/55/48/62/995554862.db2.gz DVCUDXHZZWARNN-QJPTWQEYSA-N 1 2 210.321 2.035 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cccc2c1OCC2 ZINC001621174649 1170489571 /nfs/dbraw/zinc/48/95/71/1170489571.db2.gz GHSATMMBDZXKEL-UHFFFAOYSA-N 1 2 239.318 2.080 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cccc2c1OCC2 ZINC001621174649 1170489577 /nfs/dbraw/zinc/48/95/77/1170489577.db2.gz GHSATMMBDZXKEL-UHFFFAOYSA-N 1 2 239.318 2.080 20 30 BEEDLO C=CC[N@@H+](C)Cc1nnc(-c2cccc(O)c2)o1 ZINC001617359274 1170589896 /nfs/dbraw/zinc/58/98/96/1170589896.db2.gz FORDPNXXPFKZJJ-UHFFFAOYSA-N 1 2 245.282 2.060 20 30 BEEDLO C=CC[N@H+](C)Cc1nnc(-c2cccc(O)c2)o1 ZINC001617359274 1170589901 /nfs/dbraw/zinc/58/99/01/1170589901.db2.gz FORDPNXXPFKZJJ-UHFFFAOYSA-N 1 2 245.282 2.060 20 30 BEEDLO C=C1CC[NH+](Cc2cn(C3CC3)cn2)CC1 ZINC001621140931 1170723820 /nfs/dbraw/zinc/72/38/20/1170723820.db2.gz IJHLKXRVPQAZIF-UHFFFAOYSA-N 1 2 217.316 2.370 20 30 BEEDLO CCCn1c[nH+]cc1CN(C[C@@H](C)C#N)C1CC1 ZINC001621164901 1170731683 /nfs/dbraw/zinc/73/16/83/1170731683.db2.gz QCAUOPZRLDHZCU-LBPRGKRZSA-N 1 2 246.358 2.417 20 30 BEEDLO CC[C@H](CC#N)[N@H+](C)Cc1cccnc1 ZINC000036771283 1170915173 /nfs/dbraw/zinc/91/51/73/1170915173.db2.gz PUMGFCLYWIRYGB-GFCCVEGCSA-N 1 2 203.289 2.206 20 30 BEEDLO CC[C@H](CC#N)[N@@H+](C)Cc1cccnc1 ZINC000036771283 1170915182 /nfs/dbraw/zinc/91/51/82/1170915182.db2.gz PUMGFCLYWIRYGB-GFCCVEGCSA-N 1 2 203.289 2.206 20 30 BEEDLO COCCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000081159767 136211283 /nfs/dbraw/zinc/21/12/83/136211283.db2.gz GBQMRLLCYZXQOI-UHFFFAOYSA-N 1 2 247.342 2.224 20 30 BEEDLO COCCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000081159767 136211284 /nfs/dbraw/zinc/21/12/84/136211284.db2.gz GBQMRLLCYZXQOI-UHFFFAOYSA-N 1 2 247.342 2.224 20 30 BEEDLO Cc1cc(NC(=O)c2ccc(C#N)o2)cc[nH+]1 ZINC000310468331 178149786 /nfs/dbraw/zinc/14/97/86/178149786.db2.gz ANZIOEKGXSHYFW-UHFFFAOYSA-N 1 2 227.223 2.107 20 30 BEEDLO COCCOc1cc(C)ccc1C[NH2+]CCC#N ZINC000573199277 398212414 /nfs/dbraw/zinc/21/24/14/398212414.db2.gz RUKLOEKERMVWQL-UHFFFAOYSA-N 1 2 248.326 2.024 20 30 BEEDLO Cc1cc(NCc2ccc(C#N)cc2F)nc[nH+]1 ZINC000109542496 178171763 /nfs/dbraw/zinc/17/17/63/178171763.db2.gz PMWREQIQUVBFDY-UHFFFAOYSA-N 1 2 242.257 2.408 20 30 BEEDLO CC[N@H+](CCC#N)[C@@H](C)c1cnc(C)nc1C ZINC000602439351 349525622 /nfs/dbraw/zinc/52/56/22/349525622.db2.gz YWUBKJLSNDNLTI-NSHDSACASA-N 1 2 232.331 2.390 20 30 BEEDLO CC[N@@H+](CCC#N)[C@@H](C)c1cnc(C)nc1C ZINC000602439351 349525625 /nfs/dbraw/zinc/52/56/25/349525625.db2.gz YWUBKJLSNDNLTI-NSHDSACASA-N 1 2 232.331 2.390 20 30 BEEDLO COc1ccc(F)cc1C[NH2+]CC1(C#N)CC1 ZINC000258928471 349535865 /nfs/dbraw/zinc/53/58/65/349535865.db2.gz OELGRRVUKAWQCN-UHFFFAOYSA-N 1 2 234.274 2.228 20 30 BEEDLO CC#CC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000293274520 398257937 /nfs/dbraw/zinc/25/79/37/398257937.db2.gz VCKMKRWZIGSBJU-UHFFFAOYSA-N 1 2 249.285 2.189 20 30 BEEDLO CC#CC[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000293274520 398257939 /nfs/dbraw/zinc/25/79/39/398257939.db2.gz VCKMKRWZIGSBJU-UHFFFAOYSA-N 1 2 249.285 2.189 20 30 BEEDLO Cc1cc(C[N@H+](CCC#N)CC(C)(C)C)n(C)n1 ZINC000417761342 398262074 /nfs/dbraw/zinc/26/20/74/398262074.db2.gz HCXAVBCVPXHDQF-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO Cc1cc(C[N@@H+](CCC#N)CC(C)(C)C)n(C)n1 ZINC000417761342 398262078 /nfs/dbraw/zinc/26/20/78/398262078.db2.gz HCXAVBCVPXHDQF-UHFFFAOYSA-N 1 2 248.374 2.490 20 30 BEEDLO CCN(C[C@@H](C)C#N)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602449341 349550482 /nfs/dbraw/zinc/55/04/82/349550482.db2.gz ZFBJCYRAGDRWLW-AAEUAGOBSA-N 1 2 246.358 2.353 20 30 BEEDLO C=C[C@@H]1OCCC[C@H]1Nc1cc(CC)[nH+]cn1 ZINC000649465636 398265780 /nfs/dbraw/zinc/26/57/80/398265780.db2.gz LXNISUHFKBTJPE-NEPJUHHUSA-N 1 2 233.315 2.185 20 30 BEEDLO C=CCCCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000649473978 398272712 /nfs/dbraw/zinc/27/27/12/398272712.db2.gz WKVPZSZSQOZBNZ-SNVBAGLBSA-N 1 2 219.275 2.045 20 30 BEEDLO C=CCCCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000649473978 398272715 /nfs/dbraw/zinc/27/27/15/398272715.db2.gz WKVPZSZSQOZBNZ-SNVBAGLBSA-N 1 2 219.275 2.045 20 30 BEEDLO Cc1[nH]c(CN(CC#N)C2CCCC2)[nH+]c1C ZINC000600117941 342674525 /nfs/dbraw/zinc/67/45/25/342674525.db2.gz YAKQDYXFHDSYOW-UHFFFAOYSA-N 1 2 232.331 2.295 20 30 BEEDLO Cc1[nH]c(CN(C[C@H](C)C#N)C2CC2)[nH+]c1C ZINC000600121511 342679315 /nfs/dbraw/zinc/67/93/15/342679315.db2.gz VNQLCNLRNDLVAJ-SECBINFHSA-N 1 2 232.331 2.151 20 30 BEEDLO Cc1[nH]c(CN2CCC(C)(C#N)CC2)[nH+]c1C ZINC000600147078 342690414 /nfs/dbraw/zinc/69/04/14/342690414.db2.gz KRTOAIILGHIHHT-UHFFFAOYSA-N 1 2 232.331 2.152 20 30 BEEDLO Cc1nc(C[NH+]2CCC(C)(C#N)CC2)[nH]c1C ZINC000600147078 342690415 /nfs/dbraw/zinc/69/04/15/342690415.db2.gz KRTOAIILGHIHHT-UHFFFAOYSA-N 1 2 232.331 2.152 20 30 BEEDLO N#CC1(C[NH2+]Cc2ccncc2Cl)CC1 ZINC000600153648 342692169 /nfs/dbraw/zinc/69/21/69/342692169.db2.gz PDWSTVRGMMDMDM-UHFFFAOYSA-N 1 2 221.691 2.128 20 30 BEEDLO CC1(C#N)C[NH+](C[C@]2(C)CCCS2)C1 ZINC000600172809 342695537 /nfs/dbraw/zinc/69/55/37/342695537.db2.gz OBOQRIYXFIPJGI-NSHDSACASA-N 1 2 210.346 2.118 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000600175294 342696222 /nfs/dbraw/zinc/69/62/22/342696222.db2.gz UGXDWEKUPVNENH-CYBMUJFWSA-N 1 2 231.299 2.288 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cnc(C3CC3)o2)C1 ZINC000600175294 342696223 /nfs/dbraw/zinc/69/62/23/342696223.db2.gz UGXDWEKUPVNENH-CYBMUJFWSA-N 1 2 231.299 2.288 20 30 BEEDLO Cc1noc(C)c1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000309593039 342729078 /nfs/dbraw/zinc/72/90/78/342729078.db2.gz VHXGCKQITRAWCD-QMMMGPOBSA-N 1 2 219.288 2.246 20 30 BEEDLO C=CC[C@@H]1CC[C@@]2(C1)[NH2+]C(C)(C)C(=O)N2CC ZINC000649490322 398287937 /nfs/dbraw/zinc/28/79/37/398287937.db2.gz AGPQVPPGCWMWLM-BXUZGUMPSA-N 1 2 236.359 2.289 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000602606889 349628947 /nfs/dbraw/zinc/62/89/47/349628947.db2.gz FAPFONUOHSKMPB-QMMMGPOBSA-N 1 2 233.246 2.216 20 30 BEEDLO C=CCCCCNc1cc(C)[nH+]cc1C#N ZINC000399466840 398307901 /nfs/dbraw/zinc/30/79/01/398307901.db2.gz SDOCTULIPDILJF-UHFFFAOYSA-N 1 2 215.300 2.452 20 30 BEEDLO Cn1nccc1C[N@H+](CCC#N)CC(C)(C)C ZINC000093101231 398308531 /nfs/dbraw/zinc/30/85/31/398308531.db2.gz PXSYFUQBFRSLBL-UHFFFAOYSA-N 1 2 234.347 2.182 20 30 BEEDLO Cn1nccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000093101231 398308532 /nfs/dbraw/zinc/30/85/32/398308532.db2.gz PXSYFUQBFRSLBL-UHFFFAOYSA-N 1 2 234.347 2.182 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1nc2ccccc2o1 ZINC000602608175 349631133 /nfs/dbraw/zinc/63/11/33/349631133.db2.gz QHLXXABLEXSCOB-UHFFFAOYSA-N 1 2 229.283 2.467 20 30 BEEDLO CN(CCC#N)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000096969390 398314000 /nfs/dbraw/zinc/31/40/00/398314000.db2.gz CXKTZTLPTVRMMI-UHFFFAOYSA-N 1 2 248.717 2.333 20 30 BEEDLO COc1cccc(OC)c1C[NH2+]CC1(C#N)CC1 ZINC000602644292 349656647 /nfs/dbraw/zinc/65/66/47/349656647.db2.gz XDZMOGXFKRJXIH-UHFFFAOYSA-N 1 2 246.310 2.097 20 30 BEEDLO Cc1cc(N2CCC[C@H](C)C2)c(C#N)c[nH+]1 ZINC000335509511 398341657 /nfs/dbraw/zinc/34/16/57/398341657.db2.gz DZBDNRCATNXQRL-JTQLQIEISA-N 1 2 215.300 2.498 20 30 BEEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)sn1 ZINC000602718271 349686616 /nfs/dbraw/zinc/68/66/16/349686616.db2.gz MAVCDKIHEOLRJJ-LLVKDONJSA-N 1 2 221.329 2.187 20 30 BEEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)sn1 ZINC000602718271 349686620 /nfs/dbraw/zinc/68/66/20/349686620.db2.gz MAVCDKIHEOLRJJ-LLVKDONJSA-N 1 2 221.329 2.187 20 30 BEEDLO C=CC[NH+]1CC(N(C)C(=O)CC(CC)CC)C1 ZINC001671183056 1172019393 /nfs/dbraw/zinc/01/93/93/1172019393.db2.gz IXHXUYMETDFJDF-UHFFFAOYSA-N 1 2 238.375 2.141 20 30 BEEDLO CN(C)c1c[nH+]cc(N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000602723946 349714387 /nfs/dbraw/zinc/71/43/87/349714387.db2.gz JWCUDRNMYUIRAV-MNOVXSKESA-N 1 2 230.315 2.252 20 30 BEEDLO C[C@@H](CCC#N)CNc1c[nH+]cc(N(C)C)c1 ZINC000602724443 349714413 /nfs/dbraw/zinc/71/44/13/349714413.db2.gz MPQRQHOWIFZXSG-NSHDSACASA-N 1 2 232.331 2.499 20 30 BEEDLO Cc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602861580 349772654 /nfs/dbraw/zinc/77/26/54/349772654.db2.gz GDTGXNMWIGJRDC-NEPJUHHUSA-N 1 2 245.326 2.214 20 30 BEEDLO Cc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)c(C)c1 ZINC000602860597 349771607 /nfs/dbraw/zinc/77/16/07/349771607.db2.gz DOPSJMXPLQARLL-GFCCVEGCSA-N 1 2 245.326 2.134 20 30 BEEDLO Cc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)c(C)c1 ZINC000602860599 349771645 /nfs/dbraw/zinc/77/16/45/349771645.db2.gz DOPSJMXPLQARLL-LBPRGKRZSA-N 1 2 245.326 2.134 20 30 BEEDLO CC[N@@H+](Cc1cnccc1C)C[C@H](C)C#N ZINC000353440208 136265413 /nfs/dbraw/zinc/26/54/13/136265413.db2.gz PNJAZGGBMGABHA-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1cnccc1C)C[C@H](C)C#N ZINC000353440208 136265414 /nfs/dbraw/zinc/26/54/14/136265414.db2.gz PNJAZGGBMGABHA-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO CCC[N@H+](CC#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321943 343099351 /nfs/dbraw/zinc/09/93/51/343099351.db2.gz HQQPOBONEDLXTP-TUAOUCFPSA-N 1 2 222.332 2.035 20 30 BEEDLO CCC[N@@H+](CC#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321943 343099355 /nfs/dbraw/zinc/09/93/55/343099355.db2.gz HQQPOBONEDLXTP-TUAOUCFPSA-N 1 2 222.332 2.035 20 30 BEEDLO Cc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1C ZINC000602863820 349796005 /nfs/dbraw/zinc/79/60/05/349796005.db2.gz QCSPOXSAWZQBTL-GFCCVEGCSA-N 1 2 245.326 2.134 20 30 BEEDLO C[C@H](CC#N)[NH2+]Cc1cccnc1C(F)(F)F ZINC000602868384 349798653 /nfs/dbraw/zinc/79/86/53/349798653.db2.gz BBDGDPRZLSOBDO-MRVPVSSYSA-N 1 2 243.232 2.492 20 30 BEEDLO CCc1ccc(C[N@H+](C)[C@@H](C)CC#N)nc1 ZINC000339018878 136271357 /nfs/dbraw/zinc/27/13/57/136271357.db2.gz JPTVQNOLEKVALG-NSHDSACASA-N 1 2 217.316 2.378 20 30 BEEDLO CCc1ccc(C[N@@H+](C)[C@@H](C)CC#N)nc1 ZINC000339018878 136271358 /nfs/dbraw/zinc/27/13/58/136271358.db2.gz JPTVQNOLEKVALG-NSHDSACASA-N 1 2 217.316 2.378 20 30 BEEDLO Cc1[nH+]cccc1N[C@@H]1CC[C@H](C#N)C1 ZINC000309175766 136273225 /nfs/dbraw/zinc/27/32/25/136273225.db2.gz MREQDBXOJQDIAP-WDEREUQCSA-N 1 2 201.273 2.494 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cccc(OC)c1 ZINC000042454524 136272601 /nfs/dbraw/zinc/27/26/01/136272601.db2.gz QSMLMJKLMIQBEX-UHFFFAOYSA-N 1 2 218.300 2.431 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cccc(OC)c1 ZINC000042454524 136272602 /nfs/dbraw/zinc/27/26/02/136272602.db2.gz QSMLMJKLMIQBEX-UHFFFAOYSA-N 1 2 218.300 2.431 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1ccc(F)cc1F ZINC000051017413 343242892 /nfs/dbraw/zinc/24/28/92/343242892.db2.gz GWDIEBLWIQOQIO-MRVPVSSYSA-N 1 2 210.227 2.214 20 30 BEEDLO Cc1cc[nH+]c(C)c1NC(=O)N(C)C[C@H](C)C#N ZINC000287567642 136287878 /nfs/dbraw/zinc/28/78/78/136287878.db2.gz PYJUGYGVKBJBHM-SECBINFHSA-N 1 2 246.314 2.322 20 30 BEEDLO Cc1c[nH+]ccc1NC(=O)CCCC#N ZINC000291694149 136288736 /nfs/dbraw/zinc/28/87/36/136288736.db2.gz MWOWFYMQFORTSU-UHFFFAOYSA-N 1 2 203.245 2.022 20 30 BEEDLO C=CC[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119909606 136292194 /nfs/dbraw/zinc/29/21/94/136292194.db2.gz HDNNKWFBSJBELC-SECBINFHSA-N 1 2 219.288 2.476 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc(O)cc(F)c1 ZINC000274592514 136285289 /nfs/dbraw/zinc/28/52/89/136285289.db2.gz PPEHXTCWSGMZAL-VIFPVBQESA-N 1 2 222.263 2.123 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000274592514 136285290 /nfs/dbraw/zinc/28/52/90/136285290.db2.gz PPEHXTCWSGMZAL-VIFPVBQESA-N 1 2 222.263 2.123 20 30 BEEDLO N#CC1(C[N@@H+]2CCCc3occc3C2)CC1 ZINC000335843088 136354399 /nfs/dbraw/zinc/35/43/99/136354399.db2.gz FUMREJXNZFLFGH-UHFFFAOYSA-N 1 2 216.284 2.332 20 30 BEEDLO N#CC1(C[N@H+]2CCCc3occc3C2)CC1 ZINC000335843088 136354400 /nfs/dbraw/zinc/35/44/00/136354400.db2.gz FUMREJXNZFLFGH-UHFFFAOYSA-N 1 2 216.284 2.332 20 30 BEEDLO C#CC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000111278682 136372438 /nfs/dbraw/zinc/37/24/38/136372438.db2.gz YSXDPMBKHSKBLY-IPYPFGDCSA-N 1 2 229.323 2.470 20 30 BEEDLO C#CC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000111278682 136372439 /nfs/dbraw/zinc/37/24/39/136372439.db2.gz YSXDPMBKHSKBLY-IPYPFGDCSA-N 1 2 229.323 2.470 20 30 BEEDLO C#CC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000111278685 136372453 /nfs/dbraw/zinc/37/24/53/136372453.db2.gz YSXDPMBKHSKBLY-VNHYZAJKSA-N 1 2 229.323 2.470 20 30 BEEDLO C#CC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000111278685 136372454 /nfs/dbraw/zinc/37/24/54/136372454.db2.gz YSXDPMBKHSKBLY-VNHYZAJKSA-N 1 2 229.323 2.470 20 30 BEEDLO N#CCC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000046509690 343546317 /nfs/dbraw/zinc/54/63/17/343546317.db2.gz SUQOMFCAOHOFBC-HNNXBMFYSA-N 1 2 244.338 2.346 20 30 BEEDLO CCn1nc(C)c(C[N@H+](C)CC2(C#N)CC2)c1C ZINC000602925955 349820612 /nfs/dbraw/zinc/82/06/12/349820612.db2.gz MBJBWRKAFQRKBE-UHFFFAOYSA-N 1 2 246.358 2.255 20 30 BEEDLO CCn1nc(C)c(C[N@@H+](C)CC2(C#N)CC2)c1C ZINC000602925955 349820614 /nfs/dbraw/zinc/82/06/14/349820614.db2.gz MBJBWRKAFQRKBE-UHFFFAOYSA-N 1 2 246.358 2.255 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)nc(C)n1 ZINC000602981912 349832773 /nfs/dbraw/zinc/83/27/73/349832773.db2.gz LEUYLDQXLHBGPY-JSGCOSHPSA-N 1 2 244.342 2.218 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)nc(C)n1 ZINC000602981912 349832776 /nfs/dbraw/zinc/83/27/76/349832776.db2.gz LEUYLDQXLHBGPY-JSGCOSHPSA-N 1 2 244.342 2.218 20 30 BEEDLO COc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)ccn1 ZINC000602980431 349844913 /nfs/dbraw/zinc/84/49/13/349844913.db2.gz QBDZSJJJMNDUAT-QWHCGFSZSA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)ccn1 ZINC000602980431 349844919 /nfs/dbraw/zinc/84/49/19/349844919.db2.gz QBDZSJJJMNDUAT-QWHCGFSZSA-N 1 2 245.326 2.214 20 30 BEEDLO N#CC[N@@H+](C[C@H]1CCCC[C@H]1O)C1CCCC1 ZINC000393295928 343793184 /nfs/dbraw/zinc/79/31/84/343793184.db2.gz UULASHAFLVSSPI-TZMCWYRMSA-N 1 2 236.359 2.306 20 30 BEEDLO N#CC[N@H+](C[C@H]1CCCC[C@H]1O)C1CCCC1 ZINC000393295928 343793185 /nfs/dbraw/zinc/79/31/85/343793185.db2.gz UULASHAFLVSSPI-TZMCWYRMSA-N 1 2 236.359 2.306 20 30 BEEDLO C[C@@H](CC#N)N(C)Cc1cccc2[nH+]ccn21 ZINC000180056749 347010615 /nfs/dbraw/zinc/01/06/15/347010615.db2.gz OLLVVBJQRRJLTQ-NSHDSACASA-N 1 2 228.299 2.068 20 30 BEEDLO C=C1CC(C)(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000631141240 343939877 /nfs/dbraw/zinc/93/98/77/343939877.db2.gz SUAZZWQUQIINKJ-UHFFFAOYSA-N 1 2 216.284 2.107 20 30 BEEDLO Cc1cc(N2CCC[C@@H](F)C2)c(C#N)c[nH+]1 ZINC000335107829 343927749 /nfs/dbraw/zinc/92/77/49/343927749.db2.gz KQNZZTLWDJOYCI-LLVKDONJSA-N 1 2 219.263 2.200 20 30 BEEDLO CC[N@@H+](Cc1cncs1)C[C@H](C)C#N ZINC000091982640 343951603 /nfs/dbraw/zinc/95/16/03/343951603.db2.gz WTKSTRFDGBGBGN-SECBINFHSA-N 1 2 209.318 2.125 20 30 BEEDLO CC[N@H+](Cc1cncs1)C[C@H](C)C#N ZINC000091982640 343951606 /nfs/dbraw/zinc/95/16/06/343951606.db2.gz WTKSTRFDGBGBGN-SECBINFHSA-N 1 2 209.318 2.125 20 30 BEEDLO CC[N@@H+](Cc1cccnc1C)C[C@@H](C)C#N ZINC000091983991 343952027 /nfs/dbraw/zinc/95/20/27/343952027.db2.gz LGGPJVZYJOXPRH-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1cccnc1C)C[C@@H](C)C#N ZINC000091983991 343952029 /nfs/dbraw/zinc/95/20/29/343952029.db2.gz LGGPJVZYJOXPRH-NSHDSACASA-N 1 2 217.316 2.372 20 30 BEEDLO Cn1c[nH+]cc1CNc1ccc(C#N)cc1F ZINC000165827025 344153417 /nfs/dbraw/zinc/15/34/17/344153417.db2.gz DMHKLZXXVLYRIT-UHFFFAOYSA-N 1 2 230.246 2.043 20 30 BEEDLO N#CCC1C[NH+](Cc2ccc(C(F)F)nc2)C1 ZINC000600859834 344383339 /nfs/dbraw/zinc/38/33/39/344383339.db2.gz NGPRDXDAQXPJQJ-UHFFFAOYSA-N 1 2 237.253 2.365 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000491712986 259375958 /nfs/dbraw/zinc/37/59/58/259375958.db2.gz ZTTCAWDBSHLLBX-QMMMGPOBSA-N 1 2 224.285 2.110 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000491712986 259375960 /nfs/dbraw/zinc/37/59/60/259375960.db2.gz ZTTCAWDBSHLLBX-QMMMGPOBSA-N 1 2 224.285 2.110 20 30 BEEDLO COc1ccc(N[C@H]2CC[C@@H](C#N)C2)[nH+]c1 ZINC000381355476 344496846 /nfs/dbraw/zinc/49/68/46/344496846.db2.gz CZVUXQBXFXYEJQ-ZJUUUORDSA-N 1 2 217.272 2.194 20 30 BEEDLO N#CC1(C[NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC000381632157 344527684 /nfs/dbraw/zinc/52/76/84/344527684.db2.gz RKXGFKMZBCCQOE-UHFFFAOYSA-N 1 2 233.340 2.025 20 30 BEEDLO C=C[C@H]1CCCCN1c1cc(CO)cc[nH+]1 ZINC000641541867 362489823 /nfs/dbraw/zinc/48/98/23/362489823.db2.gz JQGAUSLDCBQBBI-LBPRGKRZSA-N 1 2 218.300 2.119 20 30 BEEDLO C=C[C@@H]1CCCCN1c1cc(CO)cc[nH+]1 ZINC000641541866 362490005 /nfs/dbraw/zinc/49/00/05/362490005.db2.gz JQGAUSLDCBQBBI-GFCCVEGCSA-N 1 2 218.300 2.119 20 30 BEEDLO CO[C@@H](C/[NH+]=C/c1ccccc1O)C(C)C ZINC000075078331 344764976 /nfs/dbraw/zinc/76/49/76/344764976.db2.gz RTXVFSQQJUTPHK-JGWKKKPCSA-N 1 2 221.300 2.482 20 30 BEEDLO C=C(C)C(C)(C)C(=O)NCCNc1cccc[nH+]1 ZINC000425138447 192076945 /nfs/dbraw/zinc/07/69/45/192076945.db2.gz ANCFGYJLEUEBGJ-UHFFFAOYSA-N 1 2 247.342 2.212 20 30 BEEDLO CCn1nccc1C[N@H+](CCC#N)CC1CC1 ZINC000119095615 344839433 /nfs/dbraw/zinc/83/94/33/344839433.db2.gz IVSAHYDLEPORLV-UHFFFAOYSA-N 1 2 232.331 2.029 20 30 BEEDLO CCn1nccc1C[N@@H+](CCC#N)CC1CC1 ZINC000119095615 344839435 /nfs/dbraw/zinc/83/94/35/344839435.db2.gz IVSAHYDLEPORLV-UHFFFAOYSA-N 1 2 232.331 2.029 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(C#N)cc1OC ZINC000121124505 344912911 /nfs/dbraw/zinc/91/29/11/344912911.db2.gz KMZRMYXCFNIWJT-UHFFFAOYSA-N 1 2 243.310 2.302 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(C#N)cc1OC ZINC000121124505 344912914 /nfs/dbraw/zinc/91/29/14/344912914.db2.gz KMZRMYXCFNIWJT-UHFFFAOYSA-N 1 2 243.310 2.302 20 30 BEEDLO C=CC[N@@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000121433512 344924542 /nfs/dbraw/zinc/92/45/42/344924542.db2.gz BDFYFQLCTGQWAB-SECBINFHSA-N 1 2 209.293 2.372 20 30 BEEDLO C=CC[N@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000121433512 344924544 /nfs/dbraw/zinc/92/45/44/344924544.db2.gz BDFYFQLCTGQWAB-SECBINFHSA-N 1 2 209.293 2.372 20 30 BEEDLO Cc1cc(N[C@@H](C)C[C@H]2CCCO2)c(C#N)c[nH+]1 ZINC000425230424 192085362 /nfs/dbraw/zinc/08/53/62/192085362.db2.gz SRGFBFVJHALYQD-WCQYABFASA-N 1 2 245.326 2.053 20 30 BEEDLO C=CCCCCCNc1cc(CO)cc[nH+]1 ZINC000641655232 362578633 /nfs/dbraw/zinc/57/86/33/362578633.db2.gz DMQPQICWNOOABZ-UHFFFAOYSA-N 1 2 220.316 2.154 20 30 BEEDLO CC[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2C#N)CCO1 ZINC000425278103 192086834 /nfs/dbraw/zinc/08/68/34/192086834.db2.gz GIPLIBWDICALBQ-STQMWFEESA-N 1 2 245.326 2.053 20 30 BEEDLO CC[N@H+](CC(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340351 345350607 /nfs/dbraw/zinc/35/06/07/345350607.db2.gz LRNWKNLGUVCYKD-NSHDSACASA-N 1 2 246.310 2.114 20 30 BEEDLO CC[N@@H+](CC(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340351 345350611 /nfs/dbraw/zinc/35/06/11/345350611.db2.gz LRNWKNLGUVCYKD-NSHDSACASA-N 1 2 246.310 2.114 20 30 BEEDLO CCOc1ccccc1C[NH2+]CC1(C#N)CC1 ZINC000562384421 345371920 /nfs/dbraw/zinc/37/19/20/345371920.db2.gz MSVXOZLWCOWMQP-UHFFFAOYSA-N 1 2 230.311 2.479 20 30 BEEDLO CN(C)c1cccc(C[N@H+](C)CCC#N)c1 ZINC000083217849 345505035 /nfs/dbraw/zinc/50/50/35/345505035.db2.gz SXNZKRSZGHVDCD-UHFFFAOYSA-N 1 2 217.316 2.098 20 30 BEEDLO CN(C)c1cccc(C[N@@H+](C)CCC#N)c1 ZINC000083217849 345505037 /nfs/dbraw/zinc/50/50/37/345505037.db2.gz SXNZKRSZGHVDCD-UHFFFAOYSA-N 1 2 217.316 2.098 20 30 BEEDLO Cc1cccc([C@@H]2CCC[N@@H+]2CCC#N)n1 ZINC000159881595 345581678 /nfs/dbraw/zinc/58/16/78/345581678.db2.gz WSINNJYMFIFTSP-ZDUSSCGKSA-N 1 2 215.300 2.441 20 30 BEEDLO Cc1cccc([C@@H]2CCC[N@H+]2CCC#N)n1 ZINC000159881595 345581681 /nfs/dbraw/zinc/58/16/81/345581681.db2.gz WSINNJYMFIFTSP-ZDUSSCGKSA-N 1 2 215.300 2.441 20 30 BEEDLO CC(C)([NH2+][C@@H]1CC[C@@H](C#N)C1)C(F)F ZINC000307654939 345877833 /nfs/dbraw/zinc/87/78/33/345877833.db2.gz WLYNAMSBLYAPIQ-HTQZYQBOSA-N 1 2 202.248 2.312 20 30 BEEDLO CCc1cc(N)nc(S[C@H](C#N)CC)[nH+]1 ZINC000279090660 345960571 /nfs/dbraw/zinc/96/05/71/345960571.db2.gz NJXPIBSCHUJHDN-QMMMGPOBSA-N 1 2 222.317 2.015 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000183830677 345939372 /nfs/dbraw/zinc/93/93/72/345939372.db2.gz VBERVWIQPZTNER-VIFPVBQESA-N 1 2 248.717 2.237 20 30 BEEDLO C=C(C)CN(C)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635774604 346061300 /nfs/dbraw/zinc/06/13/00/346061300.db2.gz JBNGYWIOXMQTKV-UHFFFAOYSA-N 1 2 243.310 2.291 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635769619 346059513 /nfs/dbraw/zinc/05/95/13/346059513.db2.gz DYEVBBCBUGBMJL-NSHDSACASA-N 1 2 249.358 2.376 20 30 BEEDLO C=CCCC[C@@H](C)NC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635769618 346059571 /nfs/dbraw/zinc/05/95/71/346059571.db2.gz DYEVBBCBUGBMJL-LLVKDONJSA-N 1 2 249.358 2.376 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635866579 346097697 /nfs/dbraw/zinc/09/76/97/346097697.db2.gz IJAGMAJSXPUBHS-QJPTWQEYSA-N 1 2 245.326 2.080 20 30 BEEDLO C=C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635866579 346097699 /nfs/dbraw/zinc/09/76/99/346097699.db2.gz IJAGMAJSXPUBHS-QJPTWQEYSA-N 1 2 245.326 2.080 20 30 BEEDLO CCC#C[C@H](C)[N@@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000586779087 346099496 /nfs/dbraw/zinc/09/94/96/346099496.db2.gz WWPBRTSLGHSZSD-WFGGJUAMSA-N 1 2 241.400 2.020 20 30 BEEDLO CCC#C[C@H](C)[N@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000586779087 346099497 /nfs/dbraw/zinc/09/94/97/346099497.db2.gz WWPBRTSLGHSZSD-WFGGJUAMSA-N 1 2 241.400 2.020 20 30 BEEDLO Cc1cnc(C[NH2+]Cc2ccc(C#N)cc2F)o1 ZINC000235955171 346175122 /nfs/dbraw/zinc/17/51/22/346175122.db2.gz MKZOJZKHWMNGFU-UHFFFAOYSA-N 1 2 245.257 2.284 20 30 BEEDLO CCC[N@H+](CC#N)C[C@@H](O)CCc1ccccc1 ZINC000182397786 347094020 /nfs/dbraw/zinc/09/40/20/347094020.db2.gz GAANRRACKIZHHQ-HNNXBMFYSA-N 1 2 246.354 2.216 20 30 BEEDLO CCC[N@@H+](CC#N)C[C@@H](O)CCc1ccccc1 ZINC000182397786 347094025 /nfs/dbraw/zinc/09/40/25/347094025.db2.gz GAANRRACKIZHHQ-HNNXBMFYSA-N 1 2 246.354 2.216 20 30 BEEDLO C=CC[C@H](CC)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000580094310 346520560 /nfs/dbraw/zinc/52/05/60/346520560.db2.gz NHLMCVZWIMDNOL-MNOVXSKESA-N 1 2 235.331 2.059 20 30 BEEDLO C=CC[C@H](CC)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000580094310 346520563 /nfs/dbraw/zinc/52/05/63/346520563.db2.gz NHLMCVZWIMDNOL-MNOVXSKESA-N 1 2 235.331 2.059 20 30 BEEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1nccs1 ZINC000381651344 346554568 /nfs/dbraw/zinc/55/45/68/346554568.db2.gz DEFQJNJVYKRHJN-VHSXEESVSA-N 1 2 234.328 2.237 20 30 BEEDLO N#Cc1cccc(CNc2cc3cc[nH]c3c[nH+]2)c1 ZINC000589572704 346713973 /nfs/dbraw/zinc/71/39/73/346713973.db2.gz QPUDUCFKIRZHMP-UHFFFAOYSA-N 1 2 248.289 2.469 20 30 BEEDLO Cc1nc(C)c(C[N@@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000589257101 346682790 /nfs/dbraw/zinc/68/27/90/346682790.db2.gz REFIIBBRUUMTOK-SECBINFHSA-N 1 2 233.315 2.416 20 30 BEEDLO Cc1nc(C)c(C[N@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000589257101 346682797 /nfs/dbraw/zinc/68/27/97/346682797.db2.gz REFIIBBRUUMTOK-SECBINFHSA-N 1 2 233.315 2.416 20 30 BEEDLO C=CCCCN(C)c1cc(CC)[nH+]cn1 ZINC000605698754 347418378 /nfs/dbraw/zinc/41/83/78/347418378.db2.gz QIHNJPVWBYHRLV-UHFFFAOYSA-N 1 2 205.305 2.441 20 30 BEEDLO C=CCC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCC1 ZINC000616928041 347466989 /nfs/dbraw/zinc/46/69/89/347466989.db2.gz WLAKKXZENZBLSZ-UHFFFAOYSA-N 1 2 233.315 2.115 20 30 BEEDLO C=CCC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCC1 ZINC000616928041 347466991 /nfs/dbraw/zinc/46/69/91/347466991.db2.gz WLAKKXZENZBLSZ-UHFFFAOYSA-N 1 2 233.315 2.115 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000590760496 347523171 /nfs/dbraw/zinc/52/31/71/347523171.db2.gz CRXFCNRBAVYUQQ-WBMJQRKESA-N 1 2 241.400 2.021 20 30 BEEDLO CCC#C[C@@H](C)[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000590760496 347523174 /nfs/dbraw/zinc/52/31/74/347523174.db2.gz CRXFCNRBAVYUQQ-WBMJQRKESA-N 1 2 241.400 2.021 20 30 BEEDLO CCn1c[nH+]cc1CN1CCC[C@](C)(C#N)C1 ZINC000591356393 347643983 /nfs/dbraw/zinc/64/39/83/347643983.db2.gz PJXREMWGBNIFNM-CYBMUJFWSA-N 1 2 232.331 2.029 20 30 BEEDLO C=C[C@@H]([NH2+]CC1(C2CCC2)CCC1)C(=O)OC ZINC000591376451 347650233 /nfs/dbraw/zinc/65/02/33/347650233.db2.gz HZNIHVQTSSUDQH-GFCCVEGCSA-N 1 2 237.343 2.274 20 30 BEEDLO N#CCC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000591018848 347607385 /nfs/dbraw/zinc/60/73/85/347607385.db2.gz SFDYVKLYTQSMSA-AWEZNQCLSA-N 1 2 240.310 2.128 20 30 BEEDLO N#CCC[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000591734196 347693755 /nfs/dbraw/zinc/69/37/55/347693755.db2.gz DXHWJBWPCBMYNG-ZIAGYGMSSA-N 1 2 230.311 2.410 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2ccncc2C#N)CCS1 ZINC000592070020 347727508 /nfs/dbraw/zinc/72/75/08/347727508.db2.gz BKOUYGOFHCGNNO-ZDUSSCGKSA-N 1 2 247.367 2.281 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2ccncc2C#N)CCS1 ZINC000592070020 347727511 /nfs/dbraw/zinc/72/75/11/347727511.db2.gz BKOUYGOFHCGNNO-ZDUSSCGKSA-N 1 2 247.367 2.281 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592101462 347734179 /nfs/dbraw/zinc/73/41/79/347734179.db2.gz MTJDBEPFYKGEMB-UHFFFAOYSA-N 1 2 240.310 2.079 20 30 BEEDLO Cc1nc([C@@H](C)[NH+]2CCC(CCC#N)CC2)no1 ZINC000592135180 347747502 /nfs/dbraw/zinc/74/75/02/347747502.db2.gz REIWBXSBJRQVDB-SNVBAGLBSA-N 1 2 248.330 2.455 20 30 BEEDLO C[C@@H]1C[N@H+](CC2(C#N)CC2)CC2(CCCC2)O1 ZINC000592192212 347748834 /nfs/dbraw/zinc/74/88/34/347748834.db2.gz GWTROBFAYGNUOR-GFCCVEGCSA-N 1 2 234.343 2.324 20 30 BEEDLO C[C@@H]1C[N@@H+](CC2(C#N)CC2)CC2(CCCC2)O1 ZINC000592192212 347748835 /nfs/dbraw/zinc/74/88/35/347748835.db2.gz GWTROBFAYGNUOR-GFCCVEGCSA-N 1 2 234.343 2.324 20 30 BEEDLO CC1(CC(F)F)C[NH+](C[C@H](C#N)CCC#N)C1 ZINC000592446511 347780535 /nfs/dbraw/zinc/78/05/35/347780535.db2.gz CEGJUDHPPDXNFI-JTQLQIEISA-N 1 2 241.285 2.407 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1ccnn1CC(C)C ZINC000592506901 347792371 /nfs/dbraw/zinc/79/23/71/347792371.db2.gz SHMIEJCOMUBAKD-GFCCVEGCSA-N 1 2 234.347 2.321 20 30 BEEDLO N#CCSCCC[N@H+]1CCCC(F)(F)C1 ZINC000593048028 347843961 /nfs/dbraw/zinc/84/39/61/347843961.db2.gz HTMHOFLYZJPZFT-UHFFFAOYSA-N 1 2 234.315 2.364 20 30 BEEDLO N#CCSCCC[N@@H+]1CCCC(F)(F)C1 ZINC000593048028 347843963 /nfs/dbraw/zinc/84/39/63/347843963.db2.gz HTMHOFLYZJPZFT-UHFFFAOYSA-N 1 2 234.315 2.364 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCCC(F)(F)C2)C1 ZINC000593052206 347852940 /nfs/dbraw/zinc/85/29/40/347852940.db2.gz HCESHYQOVQEKDL-ZJUUUORDSA-N 1 2 214.259 2.410 20 30 BEEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCCC(F)(F)C2)C1 ZINC000593052206 347852942 /nfs/dbraw/zinc/85/29/42/347852942.db2.gz HCESHYQOVQEKDL-ZJUUUORDSA-N 1 2 214.259 2.410 20 30 BEEDLO N#Cc1cccc2c1C[N@H+](CCOC1CCC1)C2 ZINC000593126889 347864984 /nfs/dbraw/zinc/86/49/84/347864984.db2.gz WWWBRHHMYVCGIK-UHFFFAOYSA-N 1 2 242.322 2.443 20 30 BEEDLO N#Cc1cccc2c1C[N@@H+](CCOC1CCC1)C2 ZINC000593126889 347864986 /nfs/dbraw/zinc/86/49/86/347864986.db2.gz WWWBRHHMYVCGIK-UHFFFAOYSA-N 1 2 242.322 2.443 20 30 BEEDLO CCc1nc(C[NH2+]C[C@H](C#N)CCC#N)cs1 ZINC000577366579 365935204 /nfs/dbraw/zinc/93/52/04/365935204.db2.gz ZRTNJCJPYJTWQT-JTQLQIEISA-N 1 2 248.355 2.239 20 30 BEEDLO N#Cc1ccc2c(c1)C[N@H+](CC1(F)CC1)C2 ZINC000594610925 348082452 /nfs/dbraw/zinc/08/24/52/348082452.db2.gz HQEVGWIRVSCNLG-UHFFFAOYSA-N 1 2 216.259 2.376 20 30 BEEDLO N#Cc1ccc2c(c1)C[N@@H+](CC1(F)CC1)C2 ZINC000594610925 348082455 /nfs/dbraw/zinc/08/24/55/348082455.db2.gz HQEVGWIRVSCNLG-UHFFFAOYSA-N 1 2 216.259 2.376 20 30 BEEDLO Cn1cccc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594613623 348083464 /nfs/dbraw/zinc/08/34/64/348083464.db2.gz PZWUQQZRBZLODH-UHFFFAOYSA-N 1 2 237.306 2.413 20 30 BEEDLO Cn1cccc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594613623 348083466 /nfs/dbraw/zinc/08/34/66/348083466.db2.gz PZWUQQZRBZLODH-UHFFFAOYSA-N 1 2 237.306 2.413 20 30 BEEDLO CC1(C)CCCC[C@H]1C[N@@H+]1CCO[C@@H](C#N)C1 ZINC000595318451 348226093 /nfs/dbraw/zinc/22/60/93/348226093.db2.gz SEERJIRVVBBZCH-STQMWFEESA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CCCC[C@H]1C[N@H+]1CCO[C@@H](C#N)C1 ZINC000595318451 348226097 /nfs/dbraw/zinc/22/60/97/348226097.db2.gz SEERJIRVVBBZCH-STQMWFEESA-N 1 2 236.359 2.427 20 30 BEEDLO Cc1cc(CN(C)Cc2[nH]cc[nH+]2)ccc1C#N ZINC000595402212 348238967 /nfs/dbraw/zinc/23/89/67/348238967.db2.gz VCWMEDBWWFLTOA-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(C[N@H+](C)Cc2ncc[nH]2)ccc1C#N ZINC000595402212 348238969 /nfs/dbraw/zinc/23/89/69/348238969.db2.gz VCWMEDBWWFLTOA-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1cc(C[N@@H+](C)Cc2ncc[nH]2)ccc1C#N ZINC000595402212 348238970 /nfs/dbraw/zinc/23/89/70/348238970.db2.gz VCWMEDBWWFLTOA-UHFFFAOYSA-N 1 2 240.310 2.222 20 30 BEEDLO Cc1nc(C[NH+]2CCC(C)(C#N)CC2)co1 ZINC000595430160 348248380 /nfs/dbraw/zinc/24/83/80/348248380.db2.gz LJYCOKBWWKHJII-UHFFFAOYSA-N 1 2 219.288 2.109 20 30 BEEDLO C[C@H](O)C[C@@H]1CCC[N@@H+]1[C@H](C#N)c1ccccc1 ZINC000595396423 348237605 /nfs/dbraw/zinc/23/76/05/348237605.db2.gz LRYFIRJQPIFRLZ-AEGPPILISA-N 1 2 244.338 2.487 20 30 BEEDLO C[C@H](O)C[C@@H]1CCC[N@H+]1[C@H](C#N)c1ccccc1 ZINC000595396423 348237606 /nfs/dbraw/zinc/23/76/06/348237606.db2.gz LRYFIRJQPIFRLZ-AEGPPILISA-N 1 2 244.338 2.487 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cc(C2CC2)no1 ZINC000595530205 348272553 /nfs/dbraw/zinc/27/25/53/348272553.db2.gz OVITZDPLTQWVDU-SNVBAGLBSA-N 1 2 219.288 2.334 20 30 BEEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000595617356 348290120 /nfs/dbraw/zinc/29/01/20/348290120.db2.gz YZKNRYZQWDSMPW-JTQLQIEISA-N 1 2 246.314 2.073 20 30 BEEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC000595617356 348290122 /nfs/dbraw/zinc/29/01/22/348290122.db2.gz YZKNRYZQWDSMPW-JTQLQIEISA-N 1 2 246.314 2.073 20 30 BEEDLO C[C@@H](C#N)[N@H+](CCCc1ccncc1)C1CC1 ZINC000595709639 348321051 /nfs/dbraw/zinc/32/10/51/348321051.db2.gz HIXVRWCELHVSBX-LBPRGKRZSA-N 1 2 229.327 2.391 20 30 BEEDLO C[C@@H](C#N)[N@@H+](CCCc1ccncc1)C1CC1 ZINC000595709639 348321054 /nfs/dbraw/zinc/32/10/54/348321054.db2.gz HIXVRWCELHVSBX-LBPRGKRZSA-N 1 2 229.327 2.391 20 30 BEEDLO Cc1c[nH+]ccc1CCN([C@@H](C)C#N)C1CC1 ZINC000595709286 348321079 /nfs/dbraw/zinc/32/10/79/348321079.db2.gz DLRWFCPDNYGCJS-LBPRGKRZSA-N 1 2 229.327 2.309 20 30 BEEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C2CCC2)CC1 ZINC000595661034 348300655 /nfs/dbraw/zinc/30/06/55/348300655.db2.gz WPQQHKJPAQCRGY-CYBMUJFWSA-N 1 2 237.343 2.226 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1cscn1 ZINC000595669725 348304385 /nfs/dbraw/zinc/30/43/85/348304385.db2.gz ZAAMORFXZVXPBC-MRVPVSSYSA-N 1 2 207.302 2.097 20 30 BEEDLO COC(=O)[C@@]1([NH2+]CCCC#N)CC[C@@H](C)CC1 ZINC000595704313 348308293 /nfs/dbraw/zinc/30/82/93/348308293.db2.gz LCLNWSMABNEESA-AULYBMBSSA-N 1 2 238.331 2.002 20 30 BEEDLO C[C@@H](C#N)[N@H+](CCC[C@@H]1CCOC1)C1CC1 ZINC000595709293 348320839 /nfs/dbraw/zinc/32/08/39/348320839.db2.gz DSVDDWAUTSAURV-NWDGAFQWSA-N 1 2 222.332 2.180 20 30 BEEDLO C[C@@H](C#N)[N@@H+](CCC[C@@H]1CCOC1)C1CC1 ZINC000595709293 348320842 /nfs/dbraw/zinc/32/08/42/348320842.db2.gz DSVDDWAUTSAURV-NWDGAFQWSA-N 1 2 222.332 2.180 20 30 BEEDLO CC(C)OCCC[N@H+]([C@@H](C)C#N)C1CC1 ZINC000595721074 348327533 /nfs/dbraw/zinc/32/75/33/348327533.db2.gz PMFAPTKONUPMDG-NSHDSACASA-N 1 2 210.321 2.178 20 30 BEEDLO CC(C)OCCC[N@@H+]([C@@H](C)C#N)C1CC1 ZINC000595721074 348327534 /nfs/dbraw/zinc/32/75/34/348327534.db2.gz PMFAPTKONUPMDG-NSHDSACASA-N 1 2 210.321 2.178 20 30 BEEDLO CC(C)OCCC[N@H+]([C@H](C)C#N)C1CC1 ZINC000595721073 348327537 /nfs/dbraw/zinc/32/75/37/348327537.db2.gz PMFAPTKONUPMDG-LLVKDONJSA-N 1 2 210.321 2.178 20 30 BEEDLO CC(C)OCCC[N@@H+]([C@H](C)C#N)C1CC1 ZINC000595721073 348327538 /nfs/dbraw/zinc/32/75/38/348327538.db2.gz PMFAPTKONUPMDG-LLVKDONJSA-N 1 2 210.321 2.178 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000595834700 348368387 /nfs/dbraw/zinc/36/83/87/348368387.db2.gz KVIMENAKOMMVPO-CQSZACIVSA-N 1 2 225.295 2.294 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000595834700 348368389 /nfs/dbraw/zinc/36/83/89/348368389.db2.gz KVIMENAKOMMVPO-CQSZACIVSA-N 1 2 225.295 2.294 20 30 BEEDLO CCc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)nc1 ZINC000595840797 348375411 /nfs/dbraw/zinc/37/54/11/348375411.db2.gz FMSRTEQXNXUMTJ-CQSZACIVSA-N 1 2 229.327 2.380 20 30 BEEDLO CCc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)nc1 ZINC000595840797 348375413 /nfs/dbraw/zinc/37/54/13/348375413.db2.gz FMSRTEQXNXUMTJ-CQSZACIVSA-N 1 2 229.327 2.380 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000595842670 348379182 /nfs/dbraw/zinc/37/91/82/348379182.db2.gz GOTLGNDJGQBUSC-OAHLLOKOSA-N 1 2 224.307 2.274 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000595842670 348379184 /nfs/dbraw/zinc/37/91/84/348379184.db2.gz GOTLGNDJGQBUSC-OAHLLOKOSA-N 1 2 224.307 2.274 20 30 BEEDLO Cc1ncccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595843071 348379902 /nfs/dbraw/zinc/37/99/02/348379902.db2.gz YCZFQCGYITWSDI-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO Cc1ncccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595843071 348379903 /nfs/dbraw/zinc/37/99/03/348379903.db2.gz YCZFQCGYITWSDI-CYBMUJFWSA-N 1 2 215.300 2.126 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000595843621 348381056 /nfs/dbraw/zinc/38/10/56/348381056.db2.gz LPWMGLDAHGBGRX-HNNXBMFYSA-N 1 2 242.297 2.413 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000595843621 348381060 /nfs/dbraw/zinc/38/10/60/348381060.db2.gz LPWMGLDAHGBGRX-HNNXBMFYSA-N 1 2 242.297 2.413 20 30 BEEDLO Cc1nc(CC[N@@H+]2CC[C@@](C)(C#N)C2)cs1 ZINC000595845030 348353790 /nfs/dbraw/zinc/35/37/90/348353790.db2.gz XPWSXNHHALHLLR-LBPRGKRZSA-N 1 2 235.356 2.230 20 30 BEEDLO Cc1nc(CC[N@H+]2CC[C@@](C)(C#N)C2)cs1 ZINC000595845030 348353791 /nfs/dbraw/zinc/35/37/91/348353791.db2.gz XPWSXNHHALHLLR-LBPRGKRZSA-N 1 2 235.356 2.230 20 30 BEEDLO C=C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)C(=O)OC ZINC000595818383 348358569 /nfs/dbraw/zinc/35/85/69/348358569.db2.gz HUUFGJVIQHQHAO-HBIQZDMRSA-N 1 2 243.322 2.220 20 30 BEEDLO CC[N@H+](CC[C@@H]1CCCCO1)[C@H](C)C#N ZINC000595819917 348360876 /nfs/dbraw/zinc/36/08/76/348360876.db2.gz GVTRJWJDUPQDJM-NEPJUHHUSA-N 1 2 210.321 2.180 20 30 BEEDLO CC[N@@H+](CC[C@@H]1CCCCO1)[C@H](C)C#N ZINC000595819917 348360879 /nfs/dbraw/zinc/36/08/79/348360879.db2.gz GVTRJWJDUPQDJM-NEPJUHHUSA-N 1 2 210.321 2.180 20 30 BEEDLO CC[N@H+](CCCC(=O)OC(C)(C)C)[C@@H](C)C#N ZINC000595820098 348361272 /nfs/dbraw/zinc/36/12/72/348361272.db2.gz JIADZIAHSJRJAK-NSHDSACASA-N 1 2 240.347 2.342 20 30 BEEDLO CC[N@@H+](CCCC(=O)OC(C)(C)C)[C@@H](C)C#N ZINC000595820098 348361275 /nfs/dbraw/zinc/36/12/75/348361275.db2.gz JIADZIAHSJRJAK-NSHDSACASA-N 1 2 240.347 2.342 20 30 BEEDLO C=C1CC[NH+](Cc2nnc3n2CCCCC3)CC1 ZINC000264460183 187397108 /nfs/dbraw/zinc/39/71/08/187397108.db2.gz KENRTMZEGMYVEJ-UHFFFAOYSA-N 1 2 246.358 2.157 20 30 BEEDLO C=CCCSCCNc1cc[nH+]c(C2CC2)n1 ZINC000596413700 348538682 /nfs/dbraw/zinc/53/86/82/348538682.db2.gz SHWDLPHXVOOQJC-UHFFFAOYSA-N 1 2 249.383 2.497 20 30 BEEDLO C=CCCSCCNc1cc(CC)[nH+]cn1 ZINC000596413886 348538718 /nfs/dbraw/zinc/53/87/18/348538718.db2.gz ZAYLCRIVRMQVTD-UHFFFAOYSA-N 1 2 237.372 2.182 20 30 BEEDLO Cc1nsc(N[C@@H](C)c2[nH+]ccn2C)c1C#N ZINC000596544128 348584319 /nfs/dbraw/zinc/58/43/19/348584319.db2.gz YYHYUIMSYJYDLR-QMMMGPOBSA-N 1 2 247.327 2.230 20 30 BEEDLO Cc1cc(NC[C@H]2CCC[C@H](C)O2)c(C#N)c[nH+]1 ZINC000596479908 348556089 /nfs/dbraw/zinc/55/60/89/348556089.db2.gz WSHIWZUDUGIVFA-WCQYABFASA-N 1 2 245.326 2.053 20 30 BEEDLO Cc1cn2cc(NC(=O)[C@H](C)CC#N)ccc2[nH+]1 ZINC000597056986 348654115 /nfs/dbraw/zinc/65/41/15/348654115.db2.gz BIODUYKGVFSURP-SECBINFHSA-N 1 2 242.282 2.131 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1c(C2CC2)cnn1C ZINC000597086345 348655844 /nfs/dbraw/zinc/65/58/44/348655844.db2.gz LCGRUTHWCUHURA-NSHDSACASA-N 1 2 232.331 2.079 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(O)c2)C1 ZINC000597229192 348696998 /nfs/dbraw/zinc/69/69/98/348696998.db2.gz JRERFKTVQMERHI-CYBMUJFWSA-N 1 2 216.284 2.128 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000597229192 348697000 /nfs/dbraw/zinc/69/70/00/348697000.db2.gz JRERFKTVQMERHI-CYBMUJFWSA-N 1 2 216.284 2.128 20 30 BEEDLO CC[C@@H](C#N)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000598470844 348980262 /nfs/dbraw/zinc/98/02/62/348980262.db2.gz ZBMIGOMFJDJINB-JTQLQIEISA-N 1 2 242.282 2.131 20 30 BEEDLO Cc1cc(C)c(NC(=O)[C@H](C)CC#N)c(C)[nH+]1 ZINC000598805251 349046785 /nfs/dbraw/zinc/04/67/85/349046785.db2.gz VRCSFMCATDPOOZ-MRVPVSSYSA-N 1 2 231.299 2.495 20 30 BEEDLO CC#CC[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000160512099 349019412 /nfs/dbraw/zinc/01/94/12/349019412.db2.gz BGGATIIGKNARMX-ZDUSSCGKSA-N 1 2 248.395 2.450 20 30 BEEDLO Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1C#N ZINC000599249389 349130858 /nfs/dbraw/zinc/13/08/58/349130858.db2.gz ATXHYOAHOROEIM-GFCCVEGCSA-N 1 2 230.311 2.087 20 30 BEEDLO Cc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1C#N ZINC000599249389 349130861 /nfs/dbraw/zinc/13/08/61/349130861.db2.gz ATXHYOAHOROEIM-GFCCVEGCSA-N 1 2 230.311 2.087 20 30 BEEDLO CC#CC[NH2+][C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000599557270 349216857 /nfs/dbraw/zinc/21/68/57/349216857.db2.gz BBKDHLGUGLSHDB-CQSZACIVSA-N 1 2 237.343 2.111 20 30 BEEDLO N#CC1(C[N@H+]2CCc3c(O)cccc3C2)CC1 ZINC000599646518 349240276 /nfs/dbraw/zinc/24/02/76/349240276.db2.gz LFOJXHQSZCTNCV-UHFFFAOYSA-N 1 2 228.295 2.054 20 30 BEEDLO N#CC1(C[N@@H+]2CCc3c(O)cccc3C2)CC1 ZINC000599646518 349240282 /nfs/dbraw/zinc/24/02/82/349240282.db2.gz LFOJXHQSZCTNCV-UHFFFAOYSA-N 1 2 228.295 2.054 20 30 BEEDLO N#Cc1csc(C[NH+](C2CC2)C2CC2)n1 ZINC000599600158 349231886 /nfs/dbraw/zinc/23/18/86/349231886.db2.gz OGVBQEKLZWWWBS-UHFFFAOYSA-N 1 2 219.313 2.142 20 30 BEEDLO C=CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000599677027 349243059 /nfs/dbraw/zinc/24/30/59/349243059.db2.gz IJQUDBYDTAPSQC-UHFFFAOYSA-N 1 2 247.342 2.088 20 30 BEEDLO C=CC(C)(C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000628313592 349261966 /nfs/dbraw/zinc/26/19/66/349261966.db2.gz UFZYPGIUYQZFCY-UHFFFAOYSA-N 1 2 235.331 2.061 20 30 BEEDLO C=CCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603809232 350036897 /nfs/dbraw/zinc/03/68/97/350036897.db2.gz VMCXOWQEIQGOGU-UHFFFAOYSA-N 1 2 215.256 2.239 20 30 BEEDLO CCc1nc(C)c(C[NH2+]Cc2ccc(C#N)o2)o1 ZINC000291725325 350129534 /nfs/dbraw/zinc/12/95/34/350129534.db2.gz NCFXLLFWWNGXNT-UHFFFAOYSA-N 1 2 245.282 2.300 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C)cc1 ZINC000304207559 350407161 /nfs/dbraw/zinc/40/71/61/350407161.db2.gz FYZZCVJSCSPBIE-ZDUSSCGKSA-N 1 2 233.311 2.154 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C)cc1 ZINC000304207559 350407164 /nfs/dbraw/zinc/40/71/64/350407164.db2.gz FYZZCVJSCSPBIE-ZDUSSCGKSA-N 1 2 233.311 2.154 20 30 BEEDLO C=CCC[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000336669068 350433254 /nfs/dbraw/zinc/43/32/54/350433254.db2.gz VNBZRXQQLCEBDC-UHFFFAOYSA-N 1 2 223.320 2.375 20 30 BEEDLO C=CCC[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000336669068 350433257 /nfs/dbraw/zinc/43/32/57/350433257.db2.gz VNBZRXQQLCEBDC-UHFFFAOYSA-N 1 2 223.320 2.375 20 30 BEEDLO C=C[C@H]([NH2+]CCCSCC(C)C)C(=O)OC ZINC000309466355 350538780 /nfs/dbraw/zinc/53/87/80/350538780.db2.gz PLAQQDHYIPHFFD-NSHDSACASA-N 1 2 245.388 2.083 20 30 BEEDLO C=C(Br)C[NH2+]Cc1csc(C)n1 ZINC000041010917 187458383 /nfs/dbraw/zinc/45/83/83/187458383.db2.gz YQXHUUOSKXDLLE-UHFFFAOYSA-N 1 2 247.161 2.450 20 30 BEEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1ccccn1 ZINC000129154422 351000347 /nfs/dbraw/zinc/00/03/47/351000347.db2.gz GGIXSCDKMOXIIB-JTQLQIEISA-N 1 2 203.289 2.282 20 30 BEEDLO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccccn1 ZINC000129154672 351000436 /nfs/dbraw/zinc/00/04/36/351000436.db2.gz GGIXSCDKMOXIIB-SNVBAGLBSA-N 1 2 203.289 2.282 20 30 BEEDLO COc1ccsc1C[N@H+](C)C[C@H](C)C#N ZINC000271147207 351405707 /nfs/dbraw/zinc/40/57/07/351405707.db2.gz ZHSHHPRLGMZUHQ-SECBINFHSA-N 1 2 224.329 2.348 20 30 BEEDLO COc1ccsc1C[N@@H+](C)C[C@H](C)C#N ZINC000271147207 351405711 /nfs/dbraw/zinc/40/57/11/351405711.db2.gz ZHSHHPRLGMZUHQ-SECBINFHSA-N 1 2 224.329 2.348 20 30 BEEDLO CC[N@H+](CCC#N)Cc1cnn2ccccc12 ZINC000271044429 351397522 /nfs/dbraw/zinc/39/75/22/351397522.db2.gz PHYNGPAZQCYMJJ-UHFFFAOYSA-N 1 2 228.299 2.070 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1cnn2ccccc12 ZINC000271044429 351397526 /nfs/dbraw/zinc/39/75/26/351397526.db2.gz PHYNGPAZQCYMJJ-UHFFFAOYSA-N 1 2 228.299 2.070 20 30 BEEDLO C=CCCOCCNc1[nH+]cccc1OC ZINC000231837653 351400139 /nfs/dbraw/zinc/40/01/39/351400139.db2.gz IEHJTYQCANLDNE-UHFFFAOYSA-N 1 2 222.288 2.095 20 30 BEEDLO CCc1nn(C)c(CC)c1C[N@H+](C)C[C@H](C)C#N ZINC000271120406 351402213 /nfs/dbraw/zinc/40/22/13/351402213.db2.gz HWIJZFVNQJDKEN-LLVKDONJSA-N 1 2 248.374 2.136 20 30 BEEDLO CCc1nn(C)c(CC)c1C[N@@H+](C)C[C@H](C)C#N ZINC000271120406 351402216 /nfs/dbraw/zinc/40/22/16/351402216.db2.gz HWIJZFVNQJDKEN-LLVKDONJSA-N 1 2 248.374 2.136 20 30 BEEDLO Cc1cc(NC(=O)N(C)C[C@H](C)C#N)cc[nH+]1 ZINC000271137762 351404254 /nfs/dbraw/zinc/40/42/54/351404254.db2.gz PBQAWCCYUNLPDW-SECBINFHSA-N 1 2 232.287 2.013 20 30 BEEDLO Cc1nc(CC[N@@H+](C)C[C@H](C)C#N)cs1 ZINC000271344903 351412564 /nfs/dbraw/zinc/41/25/64/351412564.db2.gz XQKROLRUUCRWQV-SECBINFHSA-N 1 2 223.345 2.086 20 30 BEEDLO Cc1nc(CC[N@H+](C)C[C@H](C)C#N)cs1 ZINC000271344903 351412568 /nfs/dbraw/zinc/41/25/68/351412568.db2.gz XQKROLRUUCRWQV-SECBINFHSA-N 1 2 223.345 2.086 20 30 BEEDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000273418519 351528664 /nfs/dbraw/zinc/52/86/64/351528664.db2.gz IXFYJRTVDNZDHS-JTQLQIEISA-N 1 2 247.298 2.495 20 30 BEEDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](C)C#N ZINC000273418519 351528668 /nfs/dbraw/zinc/52/86/68/351528668.db2.gz IXFYJRTVDNZDHS-JTQLQIEISA-N 1 2 247.298 2.495 20 30 BEEDLO N#Cc1cccc2c1C[N@H+](C[C@H]1CCCO1)C2 ZINC000405074156 351600905 /nfs/dbraw/zinc/60/09/05/351600905.db2.gz KPKZRWPDPBNVRM-CYBMUJFWSA-N 1 2 228.295 2.053 20 30 BEEDLO N#Cc1cccc2c1C[N@@H+](C[C@H]1CCCO1)C2 ZINC000405074156 351600909 /nfs/dbraw/zinc/60/09/09/351600909.db2.gz KPKZRWPDPBNVRM-CYBMUJFWSA-N 1 2 228.295 2.053 20 30 BEEDLO CC(C)=CCC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000276532940 351628648 /nfs/dbraw/zinc/62/86/48/351628648.db2.gz CUELFRRHAVBIDJ-OVCLIPMQSA-N 1 2 248.326 2.363 20 30 BEEDLO CCN(CC#N)CCCc1c[nH+]ccc1C ZINC000278843202 351787170 /nfs/dbraw/zinc/78/71/70/351787170.db2.gz DKSLGNDTBOTPPZ-UHFFFAOYSA-N 1 2 217.316 2.168 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cnc2ccccc2n1 ZINC000054183666 351833109 /nfs/dbraw/zinc/83/31/09/351833109.db2.gz ZTPZYBYNEBOFCX-LLVKDONJSA-N 1 2 240.310 2.412 20 30 BEEDLO C=CCCC/[NH+]=C/c1cccc(O)c1O ZINC000280640665 351854382 /nfs/dbraw/zinc/85/43/82/351854382.db2.gz MSFFWWLLXNCRAT-UKTHLTGXSA-N 1 2 205.257 2.483 20 30 BEEDLO CCc1cc(C#N)ccc1OCc1c[nH+]cn1C ZINC000282459988 187518477 /nfs/dbraw/zinc/51/84/77/187518477.db2.gz PZECZPXDBKHMDW-UHFFFAOYSA-N 1 2 241.294 2.433 20 30 BEEDLO N#CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285981545 352069356 /nfs/dbraw/zinc/06/93/56/352069356.db2.gz NZWBVSPEOSSNLQ-QLFBSQMISA-N 1 2 242.322 2.014 20 30 BEEDLO N#CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285981545 352069359 /nfs/dbraw/zinc/06/93/59/352069359.db2.gz NZWBVSPEOSSNLQ-QLFBSQMISA-N 1 2 242.322 2.014 20 30 BEEDLO C=C(C)C[N@@H+](CC)[C@H](C)c1nnc(C)[nH]1 ZINC000411158441 191162688 /nfs/dbraw/zinc/16/26/88/191162688.db2.gz TWLAGIQJGSPFSN-SECBINFHSA-N 1 2 208.309 2.072 20 30 BEEDLO C=C(C)C[N@H+](CC)[C@H](C)c1nnc(C)[nH]1 ZINC000411158441 191162690 /nfs/dbraw/zinc/16/26/90/191162690.db2.gz TWLAGIQJGSPFSN-SECBINFHSA-N 1 2 208.309 2.072 20 30 BEEDLO C=CC[NH+](CC=C)[C@H](C)c1nnc(CC)o1 ZINC000411167136 191166603 /nfs/dbraw/zinc/16/66/03/191166603.db2.gz VYZFTQJPHUMSLU-SNVBAGLBSA-N 1 2 221.304 2.367 20 30 BEEDLO CCC[C@@H]([NH2+]CCC#N)c1nnc2ccccn21 ZINC000411513134 191190765 /nfs/dbraw/zinc/19/07/65/191190765.db2.gz OELSRVRCYWHXHB-LLVKDONJSA-N 1 2 243.314 2.074 20 30 BEEDLO CCn1cc[nH+]c1[C@H]1CCCCN1CCC#N ZINC000411677390 191203940 /nfs/dbraw/zinc/20/39/40/191203940.db2.gz KYTKJJOGFKENCR-GFCCVEGCSA-N 1 2 232.331 2.344 20 30 BEEDLO CC#CC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411901898 191229813 /nfs/dbraw/zinc/22/98/13/191229813.db2.gz GAJZIOQYKRJXAU-NSHDSACASA-N 1 2 237.343 2.204 20 30 BEEDLO CC#CC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411901898 191229816 /nfs/dbraw/zinc/22/98/16/191229816.db2.gz GAJZIOQYKRJXAU-NSHDSACASA-N 1 2 237.343 2.204 20 30 BEEDLO Cc1c[nH+]c(CN2CCCC(C)(C)[C@H]2C#N)n1C ZINC000342848757 352874119 /nfs/dbraw/zinc/87/41/19/352874119.db2.gz FDMNPNIIAHKCBE-GFCCVEGCSA-N 1 2 246.358 2.243 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000274635821 188092611 /nfs/dbraw/zinc/09/26/11/188092611.db2.gz SIUDCCOLMSKHME-CHWSQXEVSA-N 1 2 249.358 2.238 20 30 BEEDLO C#CC[N@@H+](C)Cc1cn2cc(Cl)ccc2n1 ZINC000277020031 188094148 /nfs/dbraw/zinc/09/41/48/188094148.db2.gz QWBRSANOSUKBII-UHFFFAOYSA-N 1 2 233.702 2.053 20 30 BEEDLO C#CC[N@H+](C)Cc1cn2cc(Cl)ccc2n1 ZINC000277020031 188094150 /nfs/dbraw/zinc/09/41/50/188094150.db2.gz QWBRSANOSUKBII-UHFFFAOYSA-N 1 2 233.702 2.053 20 30 BEEDLO C=C1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000264429071 188086988 /nfs/dbraw/zinc/08/69/88/188086988.db2.gz BYPPHONIRIFGQH-CYBMUJFWSA-N 1 2 248.301 2.004 20 30 BEEDLO CC[N@H+](CCC#N)Cc1c[nH]nc1C(C)(C)C ZINC000127654216 353274236 /nfs/dbraw/zinc/27/42/36/353274236.db2.gz PPSWHQTZHYOPBP-UHFFFAOYSA-N 1 2 234.347 2.443 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1c[nH]nc1C(C)(C)C ZINC000127654216 353274240 /nfs/dbraw/zinc/27/42/40/353274240.db2.gz PPSWHQTZHYOPBP-UHFFFAOYSA-N 1 2 234.347 2.443 20 30 BEEDLO C=CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000160569891 353266989 /nfs/dbraw/zinc/26/69/89/353266989.db2.gz VZBNVWICJUDPPU-UHFFFAOYSA-N 1 2 203.289 2.285 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCC23CCC3)n1 ZINC000336625136 188231813 /nfs/dbraw/zinc/23/18/13/188231813.db2.gz TYENQINXPIFTDJ-UHFFFAOYSA-N 1 2 219.313 2.143 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCC23CCC3)n1 ZINC000336625136 188231814 /nfs/dbraw/zinc/23/18/14/188231814.db2.gz TYENQINXPIFTDJ-UHFFFAOYSA-N 1 2 219.313 2.143 20 30 BEEDLO CC(C)[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000336263518 188228453 /nfs/dbraw/zinc/22/84/53/188228453.db2.gz KEWFVBBKIHGGKL-ZDUSSCGKSA-N 1 2 234.299 2.008 20 30 BEEDLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000336263518 188228454 /nfs/dbraw/zinc/22/84/54/188228454.db2.gz KEWFVBBKIHGGKL-ZDUSSCGKSA-N 1 2 234.299 2.008 20 30 BEEDLO C=CC[NH+](CC=C)Cc1nccn1C(F)F ZINC000076649218 353343665 /nfs/dbraw/zinc/34/36/65/353343665.db2.gz DHTIDWCVRGDWEH-UHFFFAOYSA-N 1 2 227.258 2.452 20 30 BEEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000134076205 353457520 /nfs/dbraw/zinc/45/75/20/353457520.db2.gz HPGSOCHCPIQCKC-BETUJISGSA-N 1 2 247.313 2.286 20 30 BEEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000134076205 353457523 /nfs/dbraw/zinc/45/75/23/353457523.db2.gz HPGSOCHCPIQCKC-BETUJISGSA-N 1 2 247.313 2.286 20 30 BEEDLO C=CC[C@@H](CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000182664134 353488727 /nfs/dbraw/zinc/48/87/27/353488727.db2.gz DARICGCKMLERLK-NSHDSACASA-N 1 2 233.315 2.011 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC#Cc1ccccc1 ZINC000191894933 353520143 /nfs/dbraw/zinc/52/01/43/353520143.db2.gz LMCYHJLTBBRYIO-KGLIPLIRSA-N 1 2 229.323 2.147 20 30 BEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CC#Cc1ccccc1 ZINC000191894933 353520147 /nfs/dbraw/zinc/52/01/47/353520147.db2.gz LMCYHJLTBBRYIO-KGLIPLIRSA-N 1 2 229.323 2.147 20 30 BEEDLO C#CCCCC(=O)Nc1cc[nH+]cc1C ZINC000192287666 353549854 /nfs/dbraw/zinc/54/98/54/353549854.db2.gz PCJWKTOQKFIQBP-UHFFFAOYSA-N 1 2 202.257 2.132 20 30 BEEDLO CC#CC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000285359131 353534523 /nfs/dbraw/zinc/53/45/23/353534523.db2.gz QDEDVSDIPGAVBH-UHFFFAOYSA-N 1 2 247.323 2.253 20 30 BEEDLO CC#CC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000285359131 353534528 /nfs/dbraw/zinc/53/45/28/353534528.db2.gz QDEDVSDIPGAVBH-UHFFFAOYSA-N 1 2 247.323 2.253 20 30 BEEDLO CC(C)[C@H]1C[N@H+](CC#Cc2ccccc2)CCO1 ZINC000361861394 535234886 /nfs/dbraw/zinc/23/48/86/535234886.db2.gz AALGZUFPQKRIGF-MRXNPFEDSA-N 1 2 243.350 2.395 20 30 BEEDLO CC(C)[C@H]1C[N@@H+](CC#Cc2ccccc2)CCO1 ZINC000361861394 535234889 /nfs/dbraw/zinc/23/48/89/535234889.db2.gz AALGZUFPQKRIGF-MRXNPFEDSA-N 1 2 243.350 2.395 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1ncnn1C(C)(C)C ZINC000283607705 353502829 /nfs/dbraw/zinc/50/28/29/353502829.db2.gz QUOLDHATJKOESK-UHFFFAOYSA-N 1 2 236.363 2.431 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1ncnn1C(C)(C)C ZINC000283607705 353502832 /nfs/dbraw/zinc/50/28/32/353502832.db2.gz QUOLDHATJKOESK-UHFFFAOYSA-N 1 2 236.363 2.431 20 30 BEEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000293066916 353732012 /nfs/dbraw/zinc/73/20/12/353732012.db2.gz ISYJPNWXBFVZAG-NSHDSACASA-N 1 2 248.301 2.108 20 30 BEEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000293066916 353732016 /nfs/dbraw/zinc/73/20/16/353732016.db2.gz ISYJPNWXBFVZAG-NSHDSACASA-N 1 2 248.301 2.108 20 30 BEEDLO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000294040646 353767295 /nfs/dbraw/zinc/76/72/95/353767295.db2.gz IPFMAXAZTLMCJP-DTWKUNHWSA-N 1 2 211.696 2.231 20 30 BEEDLO CC#CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC000293058369 353737206 /nfs/dbraw/zinc/73/72/06/353737206.db2.gz IHHZXZGTRQAMQA-UHFFFAOYSA-N 1 2 216.259 2.152 20 30 BEEDLO CC#CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000293058369 353737208 /nfs/dbraw/zinc/73/72/08/353737208.db2.gz IHHZXZGTRQAMQA-UHFFFAOYSA-N 1 2 216.259 2.152 20 30 BEEDLO C=CCC(C)(C)C(=O)NCCNc1cccc[nH+]1 ZINC000295391586 353805398 /nfs/dbraw/zinc/80/53/98/353805398.db2.gz LHROMYCHBZFOCU-UHFFFAOYSA-N 1 2 247.342 2.212 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](C)c1nccn1CC ZINC000296753748 353832507 /nfs/dbraw/zinc/83/25/07/353832507.db2.gz JWMCHUYJAOTTJR-SECBINFHSA-N 1 2 213.712 2.306 20 30 BEEDLO C#CCC(C)(C)C(=O)Nc1c[nH+]ccc1OC ZINC000185353793 353794476 /nfs/dbraw/zinc/79/44/76/353794476.db2.gz PVNDEFKAMZQDDP-UHFFFAOYSA-N 1 2 232.283 2.078 20 30 BEEDLO N#CCCC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000157764085 181035774 /nfs/dbraw/zinc/03/57/74/181035774.db2.gz GPMYOSWVPJMOBT-NSHDSACASA-N 1 2 236.340 2.425 20 30 BEEDLO N#CCCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000157764085 181035776 /nfs/dbraw/zinc/03/57/76/181035776.db2.gz GPMYOSWVPJMOBT-NSHDSACASA-N 1 2 236.340 2.425 20 30 BEEDLO Cc1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)c(C)[nH+]1 ZINC000334540106 353973238 /nfs/dbraw/zinc/97/32/38/353973238.db2.gz GPUYAJMELDYNNT-AMIZOPFISA-N 1 2 229.283 2.187 20 30 BEEDLO C[C@@H](c1ccncc1)[N@H+](C)CC1(C#N)CC1 ZINC000343658647 353955903 /nfs/dbraw/zinc/95/59/03/353955903.db2.gz JRLSAPSRKUJGFH-NSHDSACASA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@@H](c1ccncc1)[N@@H+](C)CC1(C#N)CC1 ZINC000343658647 353955906 /nfs/dbraw/zinc/95/59/06/353955906.db2.gz JRLSAPSRKUJGFH-NSHDSACASA-N 1 2 215.300 2.378 20 30 BEEDLO C=C(Cl)CN1CC[NH+](Cc2ccco2)CC1 ZINC000053440945 363288610 /nfs/dbraw/zinc/28/86/10/363288610.db2.gz YOSXQJKRLJEWNP-UHFFFAOYSA-N 1 2 240.734 2.150 20 30 BEEDLO CC1(C)CCC[N@H+](CCC2(O)CCC2)[C@H]1C#N ZINC000334564435 354083610 /nfs/dbraw/zinc/08/36/10/354083610.db2.gz ZFJDDDONRODWMV-LBPRGKRZSA-N 1 2 236.359 2.306 20 30 BEEDLO CC1(C)CCC[N@@H+](CCC2(O)CCC2)[C@H]1C#N ZINC000334564435 354083613 /nfs/dbraw/zinc/08/36/13/354083613.db2.gz ZFJDDDONRODWMV-LBPRGKRZSA-N 1 2 236.359 2.306 20 30 BEEDLO C=C[C@H]([NH2+]CC1(CC)CCCC1)C(=O)OC ZINC000301044024 363367985 /nfs/dbraw/zinc/36/79/85/363367985.db2.gz LZDPDFCPFHMJIS-NSHDSACASA-N 1 2 225.332 2.274 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1F ZINC000336263101 181105387 /nfs/dbraw/zinc/10/53/87/181105387.db2.gz RJCXPLWWMWQWIT-LLVKDONJSA-N 1 2 222.238 2.241 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1F ZINC000336263101 181105389 /nfs/dbraw/zinc/10/53/89/181105389.db2.gz RJCXPLWWMWQWIT-LLVKDONJSA-N 1 2 222.238 2.241 20 30 BEEDLO N#Cc1ccc(C[NH+]2CCSCC2)c(F)c1 ZINC000020257270 181105918 /nfs/dbraw/zinc/10/59/18/181105918.db2.gz FVJGBBTVJFMTQF-UHFFFAOYSA-N 1 2 236.315 2.246 20 30 BEEDLO N#Cc1ccc(NCCCn2cc[nH+]c2)c(F)c1 ZINC000037412606 181121126 /nfs/dbraw/zinc/12/11/26/181121126.db2.gz ZSHZKIPBSNQYHM-UHFFFAOYSA-N 1 2 244.273 2.396 20 30 BEEDLO N#Cc1ccc(NCCn2cc[nH+]c2)c(F)c1 ZINC000042290268 181122638 /nfs/dbraw/zinc/12/26/38/181122638.db2.gz ZDUHDBLKZPLWSC-UHFFFAOYSA-N 1 2 230.246 2.006 20 30 BEEDLO CC1(C#N)CC[NH+](Cc2ccncc2F)CC1 ZINC000334651612 354444424 /nfs/dbraw/zinc/44/44/24/354444424.db2.gz BPERUNIFNMQRJV-UHFFFAOYSA-N 1 2 233.290 2.346 20 30 BEEDLO N#Cc1cccc(C[NH2+]Cc2cscn2)c1 ZINC000040505249 181138243 /nfs/dbraw/zinc/13/82/43/181138243.db2.gz OEQNOQQOCHVRQT-UHFFFAOYSA-N 1 2 229.308 2.305 20 30 BEEDLO N#Cc1cccc(N2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000329713845 181139079 /nfs/dbraw/zinc/13/90/79/181139079.db2.gz SBYWAOMVJZYZGV-NSHDSACASA-N 1 2 239.282 2.018 20 30 BEEDLO Cc1cc(C)c(NC(=O)NC[C@@H](C)C#N)c(C)[nH+]1 ZINC000334714596 354512385 /nfs/dbraw/zinc/51/23/85/354512385.db2.gz YFZWFSYAKORROD-QMMMGPOBSA-N 1 2 246.314 2.288 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000042292971 181144814 /nfs/dbraw/zinc/14/48/14/181144814.db2.gz NVHAGPJIFNQDST-LSDHHAIUSA-N 1 2 242.322 2.312 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000042292971 181144816 /nfs/dbraw/zinc/14/48/16/181144816.db2.gz NVHAGPJIFNQDST-LSDHHAIUSA-N 1 2 242.322 2.312 20 30 BEEDLO COC(=O)C1([NH2+]CCC(C)(C)C#N)CCCC1 ZINC000345757856 354752767 /nfs/dbraw/zinc/75/27/67/354752767.db2.gz SLBPSUQFZVRAMS-UHFFFAOYSA-N 1 2 238.331 2.002 20 30 BEEDLO C=C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C(=O)OC ZINC000301052773 363393830 /nfs/dbraw/zinc/39/38/30/363393830.db2.gz WVHPGWLIGHDNRX-TUAOUCFPSA-N 1 2 225.332 2.130 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C(=O)OC ZINC000301051479 363396220 /nfs/dbraw/zinc/39/62/20/363396220.db2.gz UPCMYSNRIPBDSN-KXNHARMFSA-N 1 2 225.332 2.128 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)OC ZINC000301051890 363396524 /nfs/dbraw/zinc/39/65/24/363396524.db2.gz VAPBKORMMBFNSW-NOOOWODRSA-N 1 2 225.332 2.128 20 30 BEEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CCC#N ZINC000335166232 354923805 /nfs/dbraw/zinc/92/38/05/354923805.db2.gz YGSSDUDJLLNEPX-LLVKDONJSA-N 1 2 200.285 2.347 20 30 BEEDLO C[C@@H]1Cc2ccccc2C[N@H+]1CCC#N ZINC000335166232 354923806 /nfs/dbraw/zinc/92/38/06/354923806.db2.gz YGSSDUDJLLNEPX-LLVKDONJSA-N 1 2 200.285 2.347 20 30 BEEDLO CC(C)c1nc(NCC(C)(C)CC#N)cc[nH+]1 ZINC000413400202 191375651 /nfs/dbraw/zinc/37/56/51/191375651.db2.gz CBHHQZZXYSPWAF-UHFFFAOYSA-N 1 2 232.331 2.374 20 30 BEEDLO C[C@H]1c2cccn2CC[N@H+]1CC1(C#N)CC1 ZINC000335813448 355501225 /nfs/dbraw/zinc/50/12/25/355501225.db2.gz CVUQHLTTXDDHPS-NSHDSACASA-N 1 2 215.300 2.168 20 30 BEEDLO C[C@H]1c2cccn2CC[N@@H+]1CC1(C#N)CC1 ZINC000335813448 355501227 /nfs/dbraw/zinc/50/12/27/355501227.db2.gz CVUQHLTTXDDHPS-NSHDSACASA-N 1 2 215.300 2.168 20 30 BEEDLO C=CCC[C@H](CCC)[NH2+]Cc1c[nH]nn1 ZINC000628363431 355848488 /nfs/dbraw/zinc/84/84/88/355848488.db2.gz JYULCJJIPSQKDI-JTQLQIEISA-N 1 2 208.309 2.029 20 30 BEEDLO C=CCC[C@H](CCC)[NH2+]Cc1cn[nH]n1 ZINC000628363431 355848490 /nfs/dbraw/zinc/84/84/90/355848490.db2.gz JYULCJJIPSQKDI-JTQLQIEISA-N 1 2 208.309 2.029 20 30 BEEDLO C=C[C@@](C)(CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000583641539 355946852 /nfs/dbraw/zinc/94/68/52/355946852.db2.gz TVQSQIZHPBXTMC-SKDRFNHKSA-N 1 2 221.304 2.189 20 30 BEEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCO1 ZINC000035216093 356312743 /nfs/dbraw/zinc/31/27/43/356312743.db2.gz TUBGRZHPBLWIHC-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCO1 ZINC000035216093 356312745 /nfs/dbraw/zinc/31/27/45/356312745.db2.gz TUBGRZHPBLWIHC-ZDUSSCGKSA-N 1 2 248.301 2.308 20 30 BEEDLO C=CC[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000617784218 356366835 /nfs/dbraw/zinc/36/68/35/356366835.db2.gz PBIDHFPGSSLLGE-ZDUSSCGKSA-N 1 2 247.342 2.088 20 30 BEEDLO C=CC[N@H+](Cc1nc(C2CCC2)no1)C1CC1 ZINC000639559526 356468257 /nfs/dbraw/zinc/46/82/57/356468257.db2.gz QVYRAKQORRZDTO-UHFFFAOYSA-N 1 2 233.315 2.488 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C2CCC2)no1)C1CC1 ZINC000639559526 356468260 /nfs/dbraw/zinc/46/82/60/356468260.db2.gz QVYRAKQORRZDTO-UHFFFAOYSA-N 1 2 233.315 2.488 20 30 BEEDLO C=CCCC[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420910096 192270166 /nfs/dbraw/zinc/27/01/66/192270166.db2.gz DOSYORFSUXZDND-UHFFFAOYSA-N 1 2 227.739 2.472 20 30 BEEDLO C=CCCC[N@H+](C)Cc1nn(C)cc1Cl ZINC000420910096 192270169 /nfs/dbraw/zinc/27/01/69/192270169.db2.gz DOSYORFSUXZDND-UHFFFAOYSA-N 1 2 227.739 2.472 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccn1 ZINC000639616019 356533844 /nfs/dbraw/zinc/53/38/44/356533844.db2.gz AQVUSOMTTVLWRS-GFCCVEGCSA-N 1 2 245.326 2.061 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccn1 ZINC000639616019 356533847 /nfs/dbraw/zinc/53/38/47/356533847.db2.gz AQVUSOMTTVLWRS-GFCCVEGCSA-N 1 2 245.326 2.061 20 30 BEEDLO CC[C@H]1C[NH+](CC2(C#N)CC2)C[C@H](CC)O1 ZINC000420959250 192281039 /nfs/dbraw/zinc/28/10/39/192281039.db2.gz QDFJEODKLFESMX-RYUDHWBXSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@@H]1C[NH+](C[C@@H](C#N)CCC#N)C[C@@H](CC)O1 ZINC000420940908 192289009 /nfs/dbraw/zinc/28/90/09/192289009.db2.gz DTMCYCDPXFQANC-MGPQQGTHSA-N 1 2 249.358 2.319 20 30 BEEDLO C=CCC1(C(=O)NCc2[nH]cc[nH+]2)CCCC1 ZINC000449854250 202045615 /nfs/dbraw/zinc/04/56/15/202045615.db2.gz INFTXGLHEXKVIP-UHFFFAOYSA-N 1 2 233.315 2.162 20 30 BEEDLO CCC[C@@H](C)C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000378442938 535326410 /nfs/dbraw/zinc/32/64/10/535326410.db2.gz LQTKHWJPBBGJTD-TZMCWYRMSA-N 1 2 235.375 2.095 20 30 BEEDLO CCC[C@@H](C)C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000378442938 535326414 /nfs/dbraw/zinc/32/64/14/535326414.db2.gz LQTKHWJPBBGJTD-TZMCWYRMSA-N 1 2 235.375 2.095 20 30 BEEDLO CCCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)OC ZINC000613647069 363553894 /nfs/dbraw/zinc/55/38/94/363553894.db2.gz OPRVMVUUXLFGNA-SRVKXCTJSA-N 1 2 238.331 2.000 20 30 BEEDLO CCC[N@@H+](CC#N)CCCc1cc(CC)no1 ZINC000450418701 202160053 /nfs/dbraw/zinc/16/00/53/202160053.db2.gz MTPDQAXKAASZKR-UHFFFAOYSA-N 1 2 235.331 2.405 20 30 BEEDLO CCC[N@H+](CC#N)CCCc1cc(CC)no1 ZINC000450418701 202160057 /nfs/dbraw/zinc/16/00/57/202160057.db2.gz MTPDQAXKAASZKR-UHFFFAOYSA-N 1 2 235.331 2.405 20 30 BEEDLO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353175516 134162261 /nfs/dbraw/zinc/16/22/61/134162261.db2.gz SDLXXATWAJJINS-ZJUUUORDSA-N 1 2 219.275 2.043 20 30 BEEDLO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353175516 134162262 /nfs/dbraw/zinc/16/22/62/134162262.db2.gz SDLXXATWAJJINS-ZJUUUORDSA-N 1 2 219.275 2.043 20 30 BEEDLO N#Cc1ncccc1NCCCCn1cc[nH+]c1 ZINC000129967069 357088668 /nfs/dbraw/zinc/08/86/68/357088668.db2.gz LZFXKZYHZGGYDV-UHFFFAOYSA-N 1 2 241.298 2.042 20 30 BEEDLO CC1(C#N)C[NH+](CC23CCC(CC2)C3)C1 ZINC000583031774 357464329 /nfs/dbraw/zinc/46/43/29/357464329.db2.gz BUXKAUDQJVBVSH-UHFFFAOYSA-N 1 2 204.317 2.412 20 30 BEEDLO CC1(C#N)C[NH+](CCCc2ccccc2)C1 ZINC000583122367 357489667 /nfs/dbraw/zinc/48/96/67/357489667.db2.gz UXYJRWPWTRVDAD-UHFFFAOYSA-N 1 2 214.312 2.465 20 30 BEEDLO CC#CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000159152550 538875412 /nfs/dbraw/zinc/87/54/12/538875412.db2.gz QKHSUHPWZYQCER-UHFFFAOYSA-N 1 2 203.289 2.209 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1ccn(C(C)C)n1 ZINC000189425218 357640824 /nfs/dbraw/zinc/64/08/24/357640824.db2.gz WYANXNSTCKNKAW-UHFFFAOYSA-N 1 2 237.347 2.098 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1ccn(C(C)C)n1 ZINC000189425218 357640828 /nfs/dbraw/zinc/64/08/28/357640828.db2.gz WYANXNSTCKNKAW-UHFFFAOYSA-N 1 2 237.347 2.098 20 30 BEEDLO C=CC[N@@H+](CCOC)Cc1nc2ccccc2[nH]1 ZINC000191757825 357794151 /nfs/dbraw/zinc/79/41/51/357794151.db2.gz XPGHJXKYTGDEFX-UHFFFAOYSA-N 1 2 245.326 2.197 20 30 BEEDLO C=CC[N@H+](CCOC)Cc1nc2ccccc2[nH]1 ZINC000191757825 357794156 /nfs/dbraw/zinc/79/41/56/357794156.db2.gz XPGHJXKYTGDEFX-UHFFFAOYSA-N 1 2 245.326 2.197 20 30 BEEDLO C=CC[N@@H+](C)Cc1nccn1-c1ccccc1 ZINC000191533924 357784130 /nfs/dbraw/zinc/78/41/30/357784130.db2.gz IKQAWHIWPCJODL-UHFFFAOYSA-N 1 2 227.311 2.490 20 30 BEEDLO C=CC[N@H+](C)Cc1nccn1-c1ccccc1 ZINC000191533924 357784132 /nfs/dbraw/zinc/78/41/32/357784132.db2.gz IKQAWHIWPCJODL-UHFFFAOYSA-N 1 2 227.311 2.490 20 30 BEEDLO C[N@H+](CC#N)C[C@@H]1CCCC(F)(F)C1 ZINC000300938443 134229469 /nfs/dbraw/zinc/22/94/69/134229469.db2.gz MYRDFCRJGITXCS-SECBINFHSA-N 1 2 202.248 2.267 20 30 BEEDLO C[N@@H+](CC#N)C[C@@H]1CCCC(F)(F)C1 ZINC000300938443 134229470 /nfs/dbraw/zinc/22/94/70/134229470.db2.gz MYRDFCRJGITXCS-SECBINFHSA-N 1 2 202.248 2.267 20 30 BEEDLO COc1ccc(F)c(C[NH2+]C[C@@H](C)C#N)c1 ZINC000584485470 358001868 /nfs/dbraw/zinc/00/18/68/358001868.db2.gz BZFAIHGCEIJRCK-VIFPVBQESA-N 1 2 222.263 2.084 20 30 BEEDLO COc1ccc2c(c1)[C@@H]([NH2+]CCC#N)CCO2 ZINC000037240347 358060838 /nfs/dbraw/zinc/06/08/38/358060838.db2.gz JHAUCPLOKDGASX-LBPRGKRZSA-N 1 2 232.283 2.022 20 30 BEEDLO CC[C@@H](C#N)[NH2+][C@H](CCOC)C(C)(C)C ZINC000336768429 535396751 /nfs/dbraw/zinc/39/67/51/535396751.db2.gz UDHLYSHKDJAFOY-WDEREUQCSA-N 1 2 212.337 2.329 20 30 BEEDLO CCOc1ccc(C[N@H+](C)[C@@H](C)CC#N)nc1 ZINC000610728955 358129096 /nfs/dbraw/zinc/12/90/96/358129096.db2.gz ZKUKMWAVBIALQG-NSHDSACASA-N 1 2 233.315 2.214 20 30 BEEDLO CCOc1ccc(C[N@@H+](C)[C@@H](C)CC#N)nc1 ZINC000610728955 358129099 /nfs/dbraw/zinc/12/90/99/358129099.db2.gz ZKUKMWAVBIALQG-NSHDSACASA-N 1 2 233.315 2.214 20 30 BEEDLO N#Cc1ccc(NCCCCn2cc[nH+]c2)nc1 ZINC000045108298 358401488 /nfs/dbraw/zinc/40/14/88/358401488.db2.gz XLIDJGGRPPNSDH-UHFFFAOYSA-N 1 2 241.298 2.042 20 30 BEEDLO C=C(C)C(C)(C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000351333665 366508380 /nfs/dbraw/zinc/50/83/80/366508380.db2.gz WOWPRQHLNWRPOG-UHFFFAOYSA-N 1 2 246.314 2.248 20 30 BEEDLO C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@@H]1F ZINC000611521418 359389003 /nfs/dbraw/zinc/38/90/03/359389003.db2.gz FTIOJKQGNCXOGH-CABZTGNLSA-N 1 2 222.263 2.331 20 30 BEEDLO C[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@@H]1F ZINC000611521418 359389007 /nfs/dbraw/zinc/38/90/07/359389007.db2.gz FTIOJKQGNCXOGH-CABZTGNLSA-N 1 2 222.263 2.331 20 30 BEEDLO C=CCCCNC(=O)c1cc(C)cn2cc[nH+]c12 ZINC000626710945 359522167 /nfs/dbraw/zinc/52/21/67/359522167.db2.gz WEDYRGKKTORGQT-UHFFFAOYSA-N 1 2 243.310 2.339 20 30 BEEDLO C=CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000628493705 359669492 /nfs/dbraw/zinc/66/94/92/359669492.db2.gz VQESBJOPPVGZCE-VXGBXAGGSA-N 1 2 247.342 2.013 20 30 BEEDLO C=CC[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000628493705 359669495 /nfs/dbraw/zinc/66/94/95/359669495.db2.gz VQESBJOPPVGZCE-VXGBXAGGSA-N 1 2 247.342 2.013 20 30 BEEDLO Cc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)on1 ZINC000612159909 359710496 /nfs/dbraw/zinc/71/04/96/359710496.db2.gz ZGRCVHSRYAMOCQ-LBPRGKRZSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)on1 ZINC000612159909 359710499 /nfs/dbraw/zinc/71/04/99/359710499.db2.gz ZGRCVHSRYAMOCQ-LBPRGKRZSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1ccc(C[N@H+](CCO)CC2(C#N)CCC2)o1 ZINC000450901391 202303285 /nfs/dbraw/zinc/30/32/85/202303285.db2.gz WGFXTIUYFVMXGZ-UHFFFAOYSA-N 1 2 248.326 2.076 20 30 BEEDLO Cc1ccc(C[N@@H+](CCO)CC2(C#N)CCC2)o1 ZINC000450901391 202303288 /nfs/dbraw/zinc/30/32/88/202303288.db2.gz WGFXTIUYFVMXGZ-UHFFFAOYSA-N 1 2 248.326 2.076 20 30 BEEDLO CCc1nn(C)cc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405894 359833537 /nfs/dbraw/zinc/83/35/37/359833537.db2.gz DPRZLXIBHYPROL-AWEZNQCLSA-N 1 2 246.358 2.108 20 30 BEEDLO CCc1nn(C)cc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405894 359833540 /nfs/dbraw/zinc/83/35/40/359833540.db2.gz DPRZLXIBHYPROL-AWEZNQCLSA-N 1 2 246.358 2.108 20 30 BEEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccco2)C1 ZINC000612406716 359833756 /nfs/dbraw/zinc/83/37/56/359833756.db2.gz ROJZMACCRGVULN-GFCCVEGCSA-N 1 2 204.273 2.405 20 30 BEEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccco2)C1 ZINC000612406716 359833759 /nfs/dbraw/zinc/83/37/59/359833759.db2.gz ROJZMACCRGVULN-GFCCVEGCSA-N 1 2 204.273 2.405 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1ncccc1C(F)(F)F ZINC000612586562 359899496 /nfs/dbraw/zinc/89/94/96/359899496.db2.gz OKKHNLGIOPTUJF-QMMMGPOBSA-N 1 2 243.232 2.350 20 30 BEEDLO C=CCCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000578753748 366638996 /nfs/dbraw/zinc/63/89/96/366638996.db2.gz DVDYDWSPTGISMN-GFCCVEGCSA-N 1 2 235.331 2.259 20 30 BEEDLO CC[C@@H]1COCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000119842291 359987310 /nfs/dbraw/zinc/98/73/10/359987310.db2.gz NZQNDHOIDIJOBO-OAHLLOKOSA-N 1 2 247.313 2.288 20 30 BEEDLO CC[C@@H]1COCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000119842291 359987315 /nfs/dbraw/zinc/98/73/15/359987315.db2.gz NZQNDHOIDIJOBO-OAHLLOKOSA-N 1 2 247.313 2.288 20 30 BEEDLO CC[N@@H+](Cc1cccc2c1OCO2)C[C@H](C)C#N ZINC000091982880 360140718 /nfs/dbraw/zinc/14/07/18/360140718.db2.gz GAJWEIWWVOGGLY-LLVKDONJSA-N 1 2 246.310 2.397 20 30 BEEDLO CC[N@H+](Cc1cccc2c1OCO2)C[C@H](C)C#N ZINC000091982880 360140722 /nfs/dbraw/zinc/14/07/22/360140722.db2.gz GAJWEIWWVOGGLY-LLVKDONJSA-N 1 2 246.310 2.397 20 30 BEEDLO N#CC[N@H+](CC1=CCCOC1)C1CCCC1 ZINC000093563377 360257594 /nfs/dbraw/zinc/25/75/94/360257594.db2.gz XDBZBAFPRUYESM-UHFFFAOYSA-N 1 2 220.316 2.101 20 30 BEEDLO N#CC[N@@H+](CC1=CCCOC1)C1CCCC1 ZINC000093563377 360257596 /nfs/dbraw/zinc/25/75/96/360257596.db2.gz XDBZBAFPRUYESM-UHFFFAOYSA-N 1 2 220.316 2.101 20 30 BEEDLO CCOc1ccc(C[NH2+][C@H](CC)CC#N)nc1 ZINC000613044461 360297835 /nfs/dbraw/zinc/29/78/35/360297835.db2.gz NFUQEVMSXGRXSW-LLVKDONJSA-N 1 2 233.315 2.262 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000306532959 360390793 /nfs/dbraw/zinc/39/07/93/360390793.db2.gz HEDXXYJHGBYQCD-SNVBAGLBSA-N 1 2 203.713 2.096 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000306532959 360390798 /nfs/dbraw/zinc/39/07/98/360390798.db2.gz HEDXXYJHGBYQCD-SNVBAGLBSA-N 1 2 203.713 2.096 20 30 BEEDLO C=C[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)C(=O)OC ZINC000300768426 360469560 /nfs/dbraw/zinc/46/95/60/360469560.db2.gz AHLMAIZNYHNSDO-NOOOWODRSA-N 1 2 225.332 2.128 20 30 BEEDLO C=C[C@H]([NH2+]CCCC1CCCC1)C(=O)OC ZINC000300771324 360487132 /nfs/dbraw/zinc/48/71/32/360487132.db2.gz BGQZINWRBIQDDD-LBPRGKRZSA-N 1 2 225.332 2.274 20 30 BEEDLO C=CC[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428437121 201016498 /nfs/dbraw/zinc/01/64/98/201016498.db2.gz KKLGFPYTLNPORN-UHFFFAOYSA-N 1 2 204.248 2.315 20 30 BEEDLO C=CC[N@H+](C)Cc1cccc(F)c1C#N ZINC000428437121 201016499 /nfs/dbraw/zinc/01/64/99/201016499.db2.gz KKLGFPYTLNPORN-UHFFFAOYSA-N 1 2 204.248 2.315 20 30 BEEDLO COc1cccc(CCC[NH+]2CC(C)(C#N)C2)c1 ZINC000579223464 366736695 /nfs/dbraw/zinc/73/66/95/366736695.db2.gz KVLZSMWEUYPYFL-UHFFFAOYSA-N 1 2 244.338 2.473 20 30 BEEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)C1CCCCC1 ZINC000428853607 201046036 /nfs/dbraw/zinc/04/60/36/201046036.db2.gz YYYRHNHBXOOLLU-CQSZACIVSA-N 1 2 236.359 2.329 20 30 BEEDLO C=CC[N@H+](CCC#N)C[C@@H](O)C1CCCCC1 ZINC000428853607 201046038 /nfs/dbraw/zinc/04/60/38/201046038.db2.gz YYYRHNHBXOOLLU-CQSZACIVSA-N 1 2 236.359 2.329 20 30 BEEDLO Cc1cnc([C@@H](C)[NH+]2CCC(F)(C#N)CC2)cn1 ZINC000428991946 201056837 /nfs/dbraw/zinc/05/68/37/201056837.db2.gz KUVMEDNCIKTZMZ-LLVKDONJSA-N 1 2 248.305 2.174 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579373080 366772633 /nfs/dbraw/zinc/77/26/33/366772633.db2.gz WMVYIYHPLHFPHC-NEPJUHHUSA-N 1 2 249.358 2.449 20 30 BEEDLO C=CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579373080 366772635 /nfs/dbraw/zinc/77/26/35/366772635.db2.gz WMVYIYHPLHFPHC-NEPJUHHUSA-N 1 2 249.358 2.449 20 30 BEEDLO C=CC[N@@H+](C/C=C/c1ccncc1)CCC#N ZINC000430096278 201143143 /nfs/dbraw/zinc/14/31/43/201143143.db2.gz FCWNPUCRMZVHIJ-HWKANZROSA-N 1 2 227.311 2.496 20 30 BEEDLO C=CC[N@H+](C/C=C/c1ccncc1)CCC#N ZINC000430096278 201143147 /nfs/dbraw/zinc/14/31/47/201143147.db2.gz FCWNPUCRMZVHIJ-HWKANZROSA-N 1 2 227.311 2.496 20 30 BEEDLO C=C(C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154266843 201274281 /nfs/dbraw/zinc/27/42/81/201274281.db2.gz MBWWFULBMVNMJK-UHFFFAOYSA-N 1 2 241.294 2.178 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000619718711 363917793 /nfs/dbraw/zinc/91/77/93/363917793.db2.gz UVJMPFHEKFNNBT-YUTCNCBUSA-N 1 2 245.322 2.407 20 30 BEEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000619718711 363917797 /nfs/dbraw/zinc/91/77/97/363917797.db2.gz UVJMPFHEKFNNBT-YUTCNCBUSA-N 1 2 245.322 2.407 20 30 BEEDLO C=CCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000573328098 364801154 /nfs/dbraw/zinc/80/11/54/364801154.db2.gz ACEXMBVTDCDMDB-LBPRGKRZSA-N 1 2 235.331 2.307 20 30 BEEDLO Cc1ccc([C@@H](C[NH2+]CCC#N)N2CCCC2)o1 ZINC000574445161 365061480 /nfs/dbraw/zinc/06/14/80/365061480.db2.gz RYIZYBACJJDXJG-CYBMUJFWSA-N 1 2 247.342 2.228 20 30 BEEDLO N#CC1(C[NH2+]Cc2cc3cccnc3o2)CC1 ZINC000574268240 365023028 /nfs/dbraw/zinc/02/30/28/365023028.db2.gz SLWRWBWBZQZZDM-UHFFFAOYSA-N 1 2 227.267 2.221 20 30 BEEDLO COc1cccc(OCC[N@H+](C)C[C@H](C)C#N)c1 ZINC000443626330 193026406 /nfs/dbraw/zinc/02/64/06/193026406.db2.gz VQUMNXWCOSRRKR-GFCCVEGCSA-N 1 2 248.326 2.165 20 30 BEEDLO COc1cccc(OCC[N@@H+](C)C[C@H](C)C#N)c1 ZINC000443626330 193026409 /nfs/dbraw/zinc/02/64/09/193026409.db2.gz VQUMNXWCOSRRKR-GFCCVEGCSA-N 1 2 248.326 2.165 20 30 BEEDLO C[C@@H]1OCC[N@H+](Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000192075484 365273198 /nfs/dbraw/zinc/27/31/98/365273198.db2.gz TZAPCWQYESXIKX-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1OCC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000192075484 365273206 /nfs/dbraw/zinc/27/32/06/365273206.db2.gz TZAPCWQYESXIKX-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@@H]1CCN(C(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000336138169 365311096 /nfs/dbraw/zinc/31/10/96/365311096.db2.gz DXWOYRAGHZUKQX-VXGBXAGGSA-N 1 2 232.331 2.068 20 30 BEEDLO C=CCCC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000576052734 365465663 /nfs/dbraw/zinc/46/56/63/365465663.db2.gz TWJWFSIBAQCASM-SNVBAGLBSA-N 1 2 233.315 2.333 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000183816947 367048274 /nfs/dbraw/zinc/04/82/74/367048274.db2.gz JNJBWYVUEIJIST-MRVPVSSYSA-N 1 2 210.227 2.214 20 30 BEEDLO COC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccco1 ZINC000184524908 367082763 /nfs/dbraw/zinc/08/27/63/367082763.db2.gz XMTDIQBBQBXJGG-VXGBXAGGSA-N 1 2 247.298 2.000 20 30 BEEDLO CC(=O)Nc1cccc(C[NH2+][C@H](C)CC#N)c1 ZINC000068609139 370819184 /nfs/dbraw/zinc/81/91/84/370819184.db2.gz SNZHTSRROAHJLQ-SNVBAGLBSA-N 1 2 231.299 2.037 20 30 BEEDLO C=CC(C)(C)CNc1nc(C)[nH+]cc1C ZINC000581262392 367313866 /nfs/dbraw/zinc/31/38/66/367313866.db2.gz WWGDKVYQUAFRIK-UHFFFAOYSA-N 1 2 205.305 2.139 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cn2c(cccc2C)n1 ZINC000581437619 367471863 /nfs/dbraw/zinc/47/18/63/367471863.db2.gz RDEPYMBQBKGBSW-GFCCVEGCSA-N 1 2 242.326 2.425 20 30 BEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)c1cnc(C)cn1 ZINC000566687902 326074446 /nfs/dbraw/zinc/07/44/46/326074446.db2.gz RUUXAFJUANJISS-MNOVXSKESA-N 1 2 218.304 2.128 20 30 BEEDLO N#CCC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000046509692 368445938 /nfs/dbraw/zinc/44/59/38/368445938.db2.gz SUQOMFCAOHOFBC-OAHLLOKOSA-N 1 2 244.338 2.346 20 30 BEEDLO CC[N@H+](CCC#N)C[C@H]1COc2ccccc2O1 ZINC000058013885 368505934 /nfs/dbraw/zinc/50/59/34/368505934.db2.gz AMLXKISBOBLVHD-LBPRGKRZSA-N 1 2 246.310 2.062 20 30 BEEDLO CC[N@@H+](CCC#N)C[C@H]1COc2ccccc2O1 ZINC000058013885 368505937 /nfs/dbraw/zinc/50/59/37/368505937.db2.gz AMLXKISBOBLVHD-LBPRGKRZSA-N 1 2 246.310 2.062 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccccc1F ZINC000072895234 368784302 /nfs/dbraw/zinc/78/43/02/368784302.db2.gz NTSZTHSUPWXHNY-NSHDSACASA-N 1 2 236.290 2.296 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccccc1F ZINC000072895234 368784305 /nfs/dbraw/zinc/78/43/05/368784305.db2.gz NTSZTHSUPWXHNY-NSHDSACASA-N 1 2 236.290 2.296 20 30 BEEDLO C=CCC1(NC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC000619111322 369286721 /nfs/dbraw/zinc/28/67/21/369286721.db2.gz URIFJLYTJIATBU-UHFFFAOYSA-N 1 2 247.342 2.347 20 30 BEEDLO C=CCC1(NC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC000619111322 369286726 /nfs/dbraw/zinc/28/67/26/369286726.db2.gz URIFJLYTJIATBU-UHFFFAOYSA-N 1 2 247.342 2.347 20 30 BEEDLO CC(C)(C#N)C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000619073547 369275094 /nfs/dbraw/zinc/27/50/94/369275094.db2.gz GTQLRWMNRSGUPQ-UHFFFAOYSA-N 1 2 244.298 2.309 20 30 BEEDLO C=CCOc1cccc(C[NH+]2CC(C)(OC)C2)c1 ZINC000459572881 203303404 /nfs/dbraw/zinc/30/34/04/203303404.db2.gz FEPBSABOVUWWAA-UHFFFAOYSA-N 1 2 247.338 2.472 20 30 BEEDLO C[N@H+](Cc1ccns1)Cc1ccnc(C#N)c1 ZINC000404463193 369429334 /nfs/dbraw/zinc/42/93/34/369429334.db2.gz VKLCTTIRLDBVHU-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C[N@@H+](Cc1ccns1)Cc1ccnc(C#N)c1 ZINC000404463193 369429338 /nfs/dbraw/zinc/42/93/38/369429338.db2.gz VKLCTTIRLDBVHU-UHFFFAOYSA-N 1 2 244.323 2.042 20 30 BEEDLO C[N@H+](Cc1ccns1)[C@@H]1CCC[C@@H]1C#N ZINC000404439648 369429522 /nfs/dbraw/zinc/42/95/22/369429522.db2.gz VOLFSFNLPMOLFC-MWLCHTKSSA-N 1 2 221.329 2.267 20 30 BEEDLO C[N@@H+](Cc1ccns1)[C@@H]1CCC[C@@H]1C#N ZINC000404439648 369429524 /nfs/dbraw/zinc/42/95/24/369429524.db2.gz VOLFSFNLPMOLFC-MWLCHTKSSA-N 1 2 221.329 2.267 20 30 BEEDLO N#Cc1cccc2c1C[N@H+](C[C@H]1CCCCO1)C2 ZINC000405072680 369444419 /nfs/dbraw/zinc/44/44/19/369444419.db2.gz JBDLOYHUNYWSAM-CQSZACIVSA-N 1 2 242.322 2.443 20 30 BEEDLO N#Cc1cccc2c1C[N@@H+](C[C@H]1CCCCO1)C2 ZINC000405072680 369444424 /nfs/dbraw/zinc/44/44/24/369444424.db2.gz JBDLOYHUNYWSAM-CQSZACIVSA-N 1 2 242.322 2.443 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(CC)cc1 ZINC000619716681 369545993 /nfs/dbraw/zinc/54/59/93/369545993.db2.gz UVIUZNYXWZTQBC-AWEZNQCLSA-N 1 2 247.338 2.408 20 30 BEEDLO C=C[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(CC)cc1 ZINC000619716681 369545995 /nfs/dbraw/zinc/54/59/95/369545995.db2.gz UVIUZNYXWZTQBC-AWEZNQCLSA-N 1 2 247.338 2.408 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC000620304117 369820764 /nfs/dbraw/zinc/82/07/64/369820764.db2.gz QMEIPUZWKUFUFP-TXEJJXNPSA-N 1 2 245.326 2.052 20 30 BEEDLO C=CCCC(C)(C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000620856896 370010007 /nfs/dbraw/zinc/01/00/07/370010007.db2.gz FCIXLIDCGWHSIJ-UHFFFAOYSA-N 1 2 235.331 2.203 20 30 BEEDLO C=CCCC(C)(C)NC(=O)CCn1cc[nH+]c1 ZINC000620859018 370012485 /nfs/dbraw/zinc/01/24/85/370012485.db2.gz UYKLWEQVKDCYAK-UHFFFAOYSA-N 1 2 235.331 2.134 20 30 BEEDLO C=C[C@@H]([NH2+]CC(C)(C)C(C)(C)C)C(=O)OC ZINC000309831362 370266067 /nfs/dbraw/zinc/26/60/67/370266067.db2.gz KIHINTDFWWGGTI-SNVBAGLBSA-N 1 2 227.348 2.376 20 30 BEEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000568406528 326354850 /nfs/dbraw/zinc/35/48/50/326354850.db2.gz NGXXBNUJSULUMJ-VIFPVBQESA-N 1 2 219.288 2.035 20 30 BEEDLO C=CCCC[C@@H](C)[NH2+][C@@H](C=C)C(=O)OC ZINC000389965202 371183592 /nfs/dbraw/zinc/18/35/92/371183592.db2.gz XGLSAHLEMMIRSE-MNOVXSKESA-N 1 2 211.305 2.048 20 30 BEEDLO CC[C@H](Nc1ncccc1C#N)c1[nH]cc[nH+]1 ZINC000139818355 371225709 /nfs/dbraw/zinc/22/57/09/371225709.db2.gz YIANLTYYCCWOBO-JTQLQIEISA-N 1 2 227.271 2.240 20 30 BEEDLO C[N@H+](Cc1nc(C#N)cs1)[C@H]1CC1(C)C ZINC000335179780 371529914 /nfs/dbraw/zinc/52/99/14/371529914.db2.gz SJGGUCUBYSSACM-VIFPVBQESA-N 1 2 221.329 2.245 20 30 BEEDLO C[N@@H+](Cc1nc(C#N)cs1)[C@H]1CC1(C)C ZINC000335179780 371529924 /nfs/dbraw/zinc/52/99/24/371529924.db2.gz SJGGUCUBYSSACM-VIFPVBQESA-N 1 2 221.329 2.245 20 30 BEEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000633335435 373481830 /nfs/dbraw/zinc/48/18/30/373481830.db2.gz YCZBRLQNNRVUMS-WDEREUQCSA-N 1 2 245.326 2.361 20 30 BEEDLO Cc1cc(N[C@@H](C)c2cncs2)c(C#N)c[nH+]1 ZINC000425265084 206021417 /nfs/dbraw/zinc/02/14/17/206021417.db2.gz YRIMDYMUZHHOEN-VIFPVBQESA-N 1 2 244.323 2.313 20 30 BEEDLO CCC[N@@H+](CC#N)CCc1ccccc1 ZINC000045092619 169091904 /nfs/dbraw/zinc/09/19/04/169091904.db2.gz XMFSNSLBBPCLME-UHFFFAOYSA-N 1 2 202.301 2.465 20 30 BEEDLO CCC[N@H+](CC#N)CCc1ccccc1 ZINC000045092619 169091906 /nfs/dbraw/zinc/09/19/06/169091906.db2.gz XMFSNSLBBPCLME-UHFFFAOYSA-N 1 2 202.301 2.465 20 30 BEEDLO C=CCSCC[NH2+][C@@H](CCCC)C(=O)OC ZINC000227691942 134383976 /nfs/dbraw/zinc/38/39/76/134383976.db2.gz KPPQDPJUKOZIDQ-NSHDSACASA-N 1 2 245.388 2.227 20 30 BEEDLO COc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1C#N ZINC000087829082 383871693 /nfs/dbraw/zinc/87/16/93/383871693.db2.gz FEWMPHYSWKPUCF-LLVKDONJSA-N 1 2 243.310 2.301 20 30 BEEDLO COc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1C#N ZINC000087829082 383871706 /nfs/dbraw/zinc/87/17/06/383871706.db2.gz FEWMPHYSWKPUCF-LLVKDONJSA-N 1 2 243.310 2.301 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)o1 ZINC000334861959 383970588 /nfs/dbraw/zinc/97/05/88/383970588.db2.gz HOTJNLZUVMIXRH-AWEZNQCLSA-N 1 2 246.310 2.152 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)o1 ZINC000334861959 383970597 /nfs/dbraw/zinc/97/05/97/383970597.db2.gz HOTJNLZUVMIXRH-AWEZNQCLSA-N 1 2 246.310 2.152 20 30 BEEDLO C=C(Cl)C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000298851811 384025452 /nfs/dbraw/zinc/02/54/52/384025452.db2.gz IQFCUQXEZNZFFE-SECBINFHSA-N 1 2 236.706 2.132 20 30 BEEDLO C[C@H]1COCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000335038430 384009267 /nfs/dbraw/zinc/00/92/67/384009267.db2.gz ZXRGSQCYRYGLPG-LLVKDONJSA-N 1 2 248.301 2.166 20 30 BEEDLO C[C@H]1COCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000335038430 384009274 /nfs/dbraw/zinc/00/92/74/384009274.db2.gz ZXRGSQCYRYGLPG-LLVKDONJSA-N 1 2 248.301 2.166 20 30 BEEDLO CC[N@@H+](Cc1cccn1C)C[C@@H](C)C#N ZINC000091984108 384156585 /nfs/dbraw/zinc/15/65/85/384156585.db2.gz DZIIAKXTRSRJQG-NSHDSACASA-N 1 2 205.305 2.007 20 30 BEEDLO CC[N@H+](Cc1cccn1C)C[C@@H](C)C#N ZINC000091984108 384156592 /nfs/dbraw/zinc/15/65/92/384156592.db2.gz DZIIAKXTRSRJQG-NSHDSACASA-N 1 2 205.305 2.007 20 30 BEEDLO C#CCC[N@@H+](CCC#N)Cc1ccco1 ZINC000299220121 533044585 /nfs/dbraw/zinc/04/45/85/533044585.db2.gz JWJFNAFUWGJFOG-UHFFFAOYSA-N 1 2 202.257 2.019 20 30 BEEDLO C#CCC[N@H+](CCC#N)Cc1ccco1 ZINC000299220121 533044580 /nfs/dbraw/zinc/04/45/80/533044580.db2.gz JWJFNAFUWGJFOG-UHFFFAOYSA-N 1 2 202.257 2.019 20 30 BEEDLO CC(C)[C@H]1C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000336263515 384187218 /nfs/dbraw/zinc/18/72/18/384187218.db2.gz KEWFVBBKIHGGKL-CYBMUJFWSA-N 1 2 234.299 2.008 20 30 BEEDLO CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000336263515 384187220 /nfs/dbraw/zinc/18/72/20/384187220.db2.gz KEWFVBBKIHGGKL-CYBMUJFWSA-N 1 2 234.299 2.008 20 30 BEEDLO N#CCC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000363408822 134399123 /nfs/dbraw/zinc/39/91/23/134399123.db2.gz IAKAPARKBRLVSK-CYBMUJFWSA-N 1 2 216.284 2.053 20 30 BEEDLO N#CCC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000363408822 134399125 /nfs/dbraw/zinc/39/91/25/134399125.db2.gz IAKAPARKBRLVSK-CYBMUJFWSA-N 1 2 216.284 2.053 20 30 BEEDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000336497937 384233040 /nfs/dbraw/zinc/23/30/40/384233040.db2.gz QJQMTGYKZMSRRE-CYBMUJFWSA-N 1 2 234.299 2.152 20 30 BEEDLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(C#N)o1 ZINC000336497937 384233048 /nfs/dbraw/zinc/23/30/48/384233048.db2.gz QJQMTGYKZMSRRE-CYBMUJFWSA-N 1 2 234.299 2.152 20 30 BEEDLO COC(=O)c1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000042324357 384213571 /nfs/dbraw/zinc/21/35/71/384213571.db2.gz RHSVUSDEPGXJMM-NSHDSACASA-N 1 2 246.310 2.065 20 30 BEEDLO COC(=O)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000042324357 384213575 /nfs/dbraw/zinc/21/35/75/384213575.db2.gz RHSVUSDEPGXJMM-NSHDSACASA-N 1 2 246.310 2.065 20 30 BEEDLO Cc1ccc(C[N@H+](C)C[C@@H](C#N)CCC#N)o1 ZINC000072589649 384226870 /nfs/dbraw/zinc/22/68/70/384226870.db2.gz GIPVNPLZNBDQFB-GFCCVEGCSA-N 1 2 231.299 2.463 20 30 BEEDLO Cc1ccc(C[N@@H+](C)C[C@@H](C#N)CCC#N)o1 ZINC000072589649 384226878 /nfs/dbraw/zinc/22/68/78/384226878.db2.gz GIPVNPLZNBDQFB-GFCCVEGCSA-N 1 2 231.299 2.463 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000127019439 384246666 /nfs/dbraw/zinc/24/66/66/384246666.db2.gz WTROGBXDDVESFF-AOOOYVTPSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000127019439 384246669 /nfs/dbraw/zinc/24/66/69/384246669.db2.gz WTROGBXDDVESFF-AOOOYVTPSA-N 1 2 236.340 2.229 20 30 BEEDLO CC[C@@H](CC#N)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000158603506 384265971 /nfs/dbraw/zinc/26/59/71/384265971.db2.gz SGJUCIWIRXCSKU-JTQLQIEISA-N 1 2 232.287 2.204 20 30 BEEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000335265856 384269933 /nfs/dbraw/zinc/26/99/33/384269933.db2.gz QNQUKTHHCORLEX-OAHLLOKOSA-N 1 2 242.322 2.169 20 30 BEEDLO N#Cc1ccccc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000335265856 384269939 /nfs/dbraw/zinc/26/99/39/384269939.db2.gz QNQUKTHHCORLEX-OAHLLOKOSA-N 1 2 242.322 2.169 20 30 BEEDLO Cc1cc(N2CCC(C)(C)C2)c(C#N)c[nH+]1 ZINC000335513326 384295226 /nfs/dbraw/zinc/29/52/26/384295226.db2.gz SDQNMBKTZRPRJP-UHFFFAOYSA-N 1 2 215.300 2.498 20 30 BEEDLO Cc1cc(NC[C@@H]2CCCSC2)c(C#N)c[nH+]1 ZINC000335513783 384296201 /nfs/dbraw/zinc/29/62/01/384296201.db2.gz UQVKWTAAAQZBHH-NSHDSACASA-N 1 2 247.367 2.239 20 30 BEEDLO Cc1cc(N2CC[C@@H](C)[C@H]2C)c(C#N)c[nH+]1 ZINC000335508755 384296247 /nfs/dbraw/zinc/29/62/47/384296247.db2.gz BUNPHGJSRIBIJW-MWLCHTKSSA-N 1 2 215.300 2.496 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc(C)c(C)s1 ZINC000490800545 384398953 /nfs/dbraw/zinc/39/89/53/384398953.db2.gz ULUKRPYHLXXSHC-UHFFFAOYSA-N 1 2 208.330 2.215 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc(C)c(C)s1 ZINC000490800545 384398958 /nfs/dbraw/zinc/39/89/58/384398958.db2.gz ULUKRPYHLXXSHC-UHFFFAOYSA-N 1 2 208.330 2.215 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000075886860 384388252 /nfs/dbraw/zinc/38/82/52/384388252.db2.gz SNTFGQBSBFYDQX-JTQLQIEISA-N 1 2 239.319 2.175 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000075886860 384388254 /nfs/dbraw/zinc/38/82/54/384388254.db2.gz SNTFGQBSBFYDQX-JTQLQIEISA-N 1 2 239.319 2.175 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cccc(F)c1F ZINC000082522980 384427748 /nfs/dbraw/zinc/42/77/48/384427748.db2.gz KUTGMSZGAYFWON-MRVPVSSYSA-N 1 2 210.227 2.214 20 30 BEEDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000340524037 384436402 /nfs/dbraw/zinc/43/64/02/384436402.db2.gz AXUPBDCUWHXHDX-SECBINFHSA-N 1 2 242.282 2.101 20 30 BEEDLO CC[N@@H+](CC#N)CCCc1cccc(OC)c1 ZINC000159735416 384484324 /nfs/dbraw/zinc/48/43/24/384484324.db2.gz IDEUQCMQBINKIO-UHFFFAOYSA-N 1 2 232.327 2.473 20 30 BEEDLO CC[N@H+](CC#N)CCCc1cccc(OC)c1 ZINC000159735416 384484327 /nfs/dbraw/zinc/48/43/27/384484327.db2.gz IDEUQCMQBINKIO-UHFFFAOYSA-N 1 2 232.327 2.473 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccccc1F ZINC000079601645 384505664 /nfs/dbraw/zinc/50/56/64/384505664.db2.gz GWUQOAOUYQHBJE-LLVKDONJSA-N 1 2 236.290 2.438 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccccc1F ZINC000079601645 384505672 /nfs/dbraw/zinc/50/56/72/384505672.db2.gz GWUQOAOUYQHBJE-LLVKDONJSA-N 1 2 236.290 2.438 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015772 384583354 /nfs/dbraw/zinc/58/33/54/384583354.db2.gz BDNSRQMKVOSFBV-NSHDSACASA-N 1 2 233.271 2.377 20 30 BEEDLO C#C[C@H](C)N(C)c1cc[nH+]c2ccncc21 ZINC000491766852 384604758 /nfs/dbraw/zinc/60/47/58/384604758.db2.gz HVDLMDJOWNYSOI-JTQLQIEISA-N 1 2 211.268 2.088 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]Cc1cnc(C)s1 ZINC000040998081 384633088 /nfs/dbraw/zinc/63/30/88/384633088.db2.gz IONRRRPYMXPYDR-VIFPVBQESA-N 1 2 209.318 2.233 20 30 BEEDLO CC(C)CC[N@H+](CCC#N)Cc1cnn(C)c1 ZINC000173541769 384694102 /nfs/dbraw/zinc/69/41/02/384694102.db2.gz KFJOHMWZYINAER-UHFFFAOYSA-N 1 2 234.347 2.182 20 30 BEEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnn(C)c1 ZINC000173541769 384694111 /nfs/dbraw/zinc/69/41/11/384694111.db2.gz KFJOHMWZYINAER-UHFFFAOYSA-N 1 2 234.347 2.182 20 30 BEEDLO C#CC[N@@H+](Cc1nnc(CC)[nH]1)C1CCCCC1 ZINC000491023520 384712248 /nfs/dbraw/zinc/71/22/48/384712248.db2.gz YCLLMJVSVNLTIA-UHFFFAOYSA-N 1 2 246.358 2.135 20 30 BEEDLO C#CC[N@H+](Cc1nnc(CC)[nH]1)C1CCCCC1 ZINC000491023520 384712255 /nfs/dbraw/zinc/71/22/55/384712255.db2.gz YCLLMJVSVNLTIA-UHFFFAOYSA-N 1 2 246.358 2.135 20 30 BEEDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000565901127 384722267 /nfs/dbraw/zinc/72/22/67/384722267.db2.gz YGKWOZKKHXENLJ-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000565901127 384722272 /nfs/dbraw/zinc/72/22/72/384722272.db2.gz YGKWOZKKHXENLJ-CYBMUJFWSA-N 1 2 233.290 2.277 20 30 BEEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1ccccc1 ZINC000103469471 384774876 /nfs/dbraw/zinc/77/48/76/384774876.db2.gz KVMYYLFQTAEMAP-UHFFFAOYSA-N 1 2 245.326 2.251 20 30 BEEDLO CCC[N@H+](CC#N)CCC(=O)Nc1ccccc1 ZINC000103469471 384774882 /nfs/dbraw/zinc/77/48/82/384774882.db2.gz KVMYYLFQTAEMAP-UHFFFAOYSA-N 1 2 245.326 2.251 20 30 BEEDLO CN(C)c1ccccc1C[N@H+](C)CCC#N ZINC000083222615 384754340 /nfs/dbraw/zinc/75/43/40/384754340.db2.gz RHJSQPNJOSPCIZ-UHFFFAOYSA-N 1 2 217.316 2.098 20 30 BEEDLO CN(C)c1ccccc1C[N@@H+](C)CCC#N ZINC000083222615 384754347 /nfs/dbraw/zinc/75/43/47/384754347.db2.gz RHJSQPNJOSPCIZ-UHFFFAOYSA-N 1 2 217.316 2.098 20 30 BEEDLO CC[N@H+](CC#N)C[C@H]1CCC(F)(F)C1 ZINC000300971461 384766353 /nfs/dbraw/zinc/76/63/53/384766353.db2.gz QSZMFWPXBSCNPB-VIFPVBQESA-N 1 2 202.248 2.267 20 30 BEEDLO CC[N@@H+](CC#N)C[C@H]1CCC(F)(F)C1 ZINC000300971461 384766363 /nfs/dbraw/zinc/76/63/63/384766363.db2.gz QSZMFWPXBSCNPB-VIFPVBQESA-N 1 2 202.248 2.267 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000246190073 384824317 /nfs/dbraw/zinc/82/43/17/384824317.db2.gz IQGJUWPNLAPUIR-RYUDHWBXSA-N 1 2 246.310 2.060 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000246190073 384824326 /nfs/dbraw/zinc/82/43/26/384824326.db2.gz IQGJUWPNLAPUIR-RYUDHWBXSA-N 1 2 246.310 2.060 20 30 BEEDLO C[N@H+](CCC#N)CCc1ccc(F)c(F)c1 ZINC000152152443 384797420 /nfs/dbraw/zinc/79/74/20/384797420.db2.gz QPLARASMDMAUTJ-UHFFFAOYSA-N 1 2 224.254 2.353 20 30 BEEDLO C[N@@H+](CCC#N)CCc1ccc(F)c(F)c1 ZINC000152152443 384797425 /nfs/dbraw/zinc/79/74/25/384797425.db2.gz QPLARASMDMAUTJ-UHFFFAOYSA-N 1 2 224.254 2.353 20 30 BEEDLO C=C(Cl)CSc1nc(N)cc(CC)[nH+]1 ZINC000279124290 384892236 /nfs/dbraw/zinc/89/22/36/384892236.db2.gz UXMIITRWXJGYKN-UHFFFAOYSA-N 1 2 229.736 2.466 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(COC)o1 ZINC000127588515 384920604 /nfs/dbraw/zinc/92/06/04/384920604.db2.gz HIMHPLRFYIXSPY-UHFFFAOYSA-N 1 2 222.288 2.162 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(COC)o1 ZINC000127588515 384920608 /nfs/dbraw/zinc/92/06/08/384920608.db2.gz HIMHPLRFYIXSPY-UHFFFAOYSA-N 1 2 222.288 2.162 20 30 BEEDLO CCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000085261385 384930196 /nfs/dbraw/zinc/93/01/96/384930196.db2.gz CWQUIZHNPYMXJV-UHFFFAOYSA-N 1 2 214.215 2.012 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000156910367 385018555 /nfs/dbraw/zinc/01/85/55/385018555.db2.gz PMXMYVLQYLKUEW-LBPRGKRZSA-N 1 2 230.286 2.411 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000156910367 385018565 /nfs/dbraw/zinc/01/85/65/385018565.db2.gz PMXMYVLQYLKUEW-LBPRGKRZSA-N 1 2 230.286 2.411 20 30 BEEDLO COc1cc(C)c(C[N@H+](C)C[C@H](C)C#N)c(C)n1 ZINC000359214603 385066978 /nfs/dbraw/zinc/06/69/78/385066978.db2.gz AVYDCAWXZCCJBK-SNVBAGLBSA-N 1 2 247.342 2.299 20 30 BEEDLO COc1cc(C)c(C[N@@H+](C)C[C@H](C)C#N)c(C)n1 ZINC000359214603 385066988 /nfs/dbraw/zinc/06/69/88/385066988.db2.gz AVYDCAWXZCCJBK-SNVBAGLBSA-N 1 2 247.342 2.299 20 30 BEEDLO Oc1ccccc1/C=[NH+]/CCCO[C@@H]1CCOC1 ZINC000129353678 385143528 /nfs/dbraw/zinc/14/35/28/385143528.db2.gz YVQSFNJXECWKCZ-QQFZQELXSA-N 1 2 249.310 2.007 20 30 BEEDLO CCN(Cc1c[nH+]c2ccccn12)C[C@@H](C)C#N ZINC000157772604 385274756 /nfs/dbraw/zinc/27/47/56/385274756.db2.gz WXGMKXYHLDNHRJ-LBPRGKRZSA-N 1 2 242.326 2.316 20 30 BEEDLO CC[N@@H+](Cc1cnc2ccccn12)C[C@@H](C)C#N ZINC000157772604 385274763 /nfs/dbraw/zinc/27/47/63/385274763.db2.gz WXGMKXYHLDNHRJ-LBPRGKRZSA-N 1 2 242.326 2.316 20 30 BEEDLO CC[N@H+](Cc1cnc2ccccn12)C[C@@H](C)C#N ZINC000157772604 385274770 /nfs/dbraw/zinc/27/47/70/385274770.db2.gz WXGMKXYHLDNHRJ-LBPRGKRZSA-N 1 2 242.326 2.316 20 30 BEEDLO CCN(Cc1c[nH+]c2ccccn12)C[C@H](C)C#N ZINC000157772754 385275826 /nfs/dbraw/zinc/27/58/26/385275826.db2.gz WXGMKXYHLDNHRJ-GFCCVEGCSA-N 1 2 242.326 2.316 20 30 BEEDLO CC[N@@H+](Cc1cnc2ccccn12)C[C@H](C)C#N ZINC000157772754 385275835 /nfs/dbraw/zinc/27/58/35/385275835.db2.gz WXGMKXYHLDNHRJ-GFCCVEGCSA-N 1 2 242.326 2.316 20 30 BEEDLO CC[N@H+](Cc1cnc2ccccn12)C[C@H](C)C#N ZINC000157772754 385275841 /nfs/dbraw/zinc/27/58/41/385275841.db2.gz WXGMKXYHLDNHRJ-GFCCVEGCSA-N 1 2 242.326 2.316 20 30 BEEDLO C=C(C)C[NH2+]C(C)(C)c1noc(CC)n1 ZINC000309046105 385389553 /nfs/dbraw/zinc/38/95/53/385389553.db2.gz OSAZREMECMPZGZ-UHFFFAOYSA-N 1 2 209.293 2.033 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cc2cccnc2o1 ZINC000491326938 385354795 /nfs/dbraw/zinc/35/47/95/385354795.db2.gz RNXGCDFVLCMABX-UHFFFAOYSA-N 1 2 238.290 2.286 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cc2cccnc2o1 ZINC000491326938 385354801 /nfs/dbraw/zinc/35/48/01/385354801.db2.gz RNXGCDFVLCMABX-UHFFFAOYSA-N 1 2 238.290 2.286 20 30 BEEDLO CC[N@@H+](CCC#N)CCOc1cccc(OC)c1 ZINC000154851905 385359391 /nfs/dbraw/zinc/35/93/91/385359391.db2.gz JXIUYYSFGVARKX-UHFFFAOYSA-N 1 2 248.326 2.310 20 30 BEEDLO CC[N@H+](CCC#N)CCOc1cccc(OC)c1 ZINC000154851905 385359395 /nfs/dbraw/zinc/35/93/95/385359395.db2.gz JXIUYYSFGVARKX-UHFFFAOYSA-N 1 2 248.326 2.310 20 30 BEEDLO C#C[C@H](C)N(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000491653975 385360823 /nfs/dbraw/zinc/36/08/23/385360823.db2.gz DITSTJKDJVHEOM-NSHDSACASA-N 1 2 245.326 2.492 20 30 BEEDLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000180083026 385451069 /nfs/dbraw/zinc/45/10/69/385451069.db2.gz MSCVDKKKHQLUSX-SNVBAGLBSA-N 1 2 240.310 2.441 20 30 BEEDLO Cc1[nH+]cccc1N[C@@H]1CC[C@@H](C#N)C1 ZINC000309175754 385451466 /nfs/dbraw/zinc/45/14/66/385451466.db2.gz MREQDBXOJQDIAP-GHMZBOCLSA-N 1 2 201.273 2.494 20 30 BEEDLO Cc1c[nH+]cc(N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000309209902 385477726 /nfs/dbraw/zinc/47/77/26/385477726.db2.gz SPOQGMMEEBZEMH-GHMZBOCLSA-N 1 2 201.273 2.494 20 30 BEEDLO Cc1nnc([C@@H](C)[NH+]2CCC(C)(C#N)CC2)o1 ZINC000408159256 385577465 /nfs/dbraw/zinc/57/74/65/385577465.db2.gz OTQXDCIWSFEDBX-SECBINFHSA-N 1 2 234.303 2.065 20 30 BEEDLO C[C@H](C#N)C[NH2+]Cc1cccc2c1OCCCO2 ZINC000054180718 385600066 /nfs/dbraw/zinc/60/00/66/385600066.db2.gz ANJYZFIDNHPISS-LLVKDONJSA-N 1 2 246.310 2.097 20 30 BEEDLO COc1ccc(C)cc1C[NH2+]C[C@@H](C)C#N ZINC000054180729 385600442 /nfs/dbraw/zinc/60/04/42/385600442.db2.gz MRZPVAVAEVMDBG-NSHDSACASA-N 1 2 218.300 2.253 20 30 BEEDLO C[N@@H+](CC#N)CCCCC1CCOCC1 ZINC000336699517 385755720 /nfs/dbraw/zinc/75/57/20/385755720.db2.gz XTQNELQMNBISKW-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO C[N@H+](CC#N)CCCCC1CCOCC1 ZINC000336699517 385755725 /nfs/dbraw/zinc/75/57/25/385755725.db2.gz XTQNELQMNBISKW-UHFFFAOYSA-N 1 2 210.321 2.039 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn(C)nc1C(C)(C)C ZINC000271745613 385848614 /nfs/dbraw/zinc/84/86/14/385848614.db2.gz SPBJCANWLRCPQN-NSHDSACASA-N 1 2 248.374 2.309 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn(C)nc1C(C)(C)C ZINC000271745613 385848617 /nfs/dbraw/zinc/84/86/17/385848617.db2.gz SPBJCANWLRCPQN-NSHDSACASA-N 1 2 248.374 2.309 20 30 BEEDLO CC[N@@H+](Cc1ccc(C)nc1)C[C@H](C)C#N ZINC000122422389 385919812 /nfs/dbraw/zinc/91/98/12/385919812.db2.gz WOQJRPPMCVQXGH-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1ccc(C)nc1)C[C@H](C)C#N ZINC000122422389 385919816 /nfs/dbraw/zinc/91/98/16/385919816.db2.gz WOQJRPPMCVQXGH-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)C2)C1 ZINC000335016807 385973500 /nfs/dbraw/zinc/97/35/00/385973500.db2.gz YFRANTIYVLZENA-RKDXNWHRSA-N 1 2 200.232 2.020 20 30 BEEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)C2)C1 ZINC000335016807 385973505 /nfs/dbraw/zinc/97/35/05/385973505.db2.gz YFRANTIYVLZENA-RKDXNWHRSA-N 1 2 200.232 2.020 20 30 BEEDLO Cc1ccc(NC(=O)NCCCC#N)c(C)[nH+]1 ZINC000345256296 386082488 /nfs/dbraw/zinc/08/24/88/386082488.db2.gz YTOWWSILXUOZGR-UHFFFAOYSA-N 1 2 232.287 2.124 20 30 BEEDLO CC(C)[N@H+](Cc1ccc(C#N)s1)C1COC1 ZINC000296084252 386135963 /nfs/dbraw/zinc/13/59/63/386135963.db2.gz QSIRQSYTAKDHBQ-UHFFFAOYSA-N 1 2 236.340 2.229 20 30 BEEDLO CC(C)[N@@H+](Cc1ccc(C#N)s1)C1COC1 ZINC000296084252 386135969 /nfs/dbraw/zinc/13/59/69/386135969.db2.gz QSIRQSYTAKDHBQ-UHFFFAOYSA-N 1 2 236.340 2.229 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000181245580 386342622 /nfs/dbraw/zinc/34/26/22/386342622.db2.gz FSZKCVQVYRSHAZ-UHFFFAOYSA-N 1 2 209.293 2.201 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(C(C)C)no1 ZINC000181245580 386342629 /nfs/dbraw/zinc/34/26/29/386342629.db2.gz FSZKCVQVYRSHAZ-UHFFFAOYSA-N 1 2 209.293 2.201 20 30 BEEDLO C=CC[N@@H+](Cc1cnnn1C)Cc1ccccc1 ZINC000092261424 386348553 /nfs/dbraw/zinc/34/85/53/386348553.db2.gz MLTASNLDFDVQOU-UHFFFAOYSA-N 1 2 242.326 2.003 20 30 BEEDLO C=CC[N@H+](Cc1cnnn1C)Cc1ccccc1 ZINC000092261424 386348555 /nfs/dbraw/zinc/34/85/55/386348555.db2.gz MLTASNLDFDVQOU-UHFFFAOYSA-N 1 2 242.326 2.003 20 30 BEEDLO C#CCCCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280839393 386375708 /nfs/dbraw/zinc/37/57/08/386375708.db2.gz VFHHSMQXLRRXJI-UHFFFAOYSA-N 1 2 241.294 2.466 20 30 BEEDLO C#CC[N@@H+](C)Cc1csc(C(C)C)n1 ZINC000192219548 386485531 /nfs/dbraw/zinc/48/55/31/386485531.db2.gz VHOZQFNHQOGIMF-UHFFFAOYSA-N 1 2 208.330 2.332 20 30 BEEDLO C#CC[N@H+](C)Cc1csc(C(C)C)n1 ZINC000192219548 386485538 /nfs/dbraw/zinc/48/55/38/386485538.db2.gz VHOZQFNHQOGIMF-UHFFFAOYSA-N 1 2 208.330 2.332 20 30 BEEDLO Cc1nc(F)ccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000278480031 386532417 /nfs/dbraw/zinc/53/24/17/386532417.db2.gz RWJQFGVVIXYQFM-VIFPVBQESA-N 1 2 221.279 2.263 20 30 BEEDLO Cc1nc(F)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC000278480031 386532422 /nfs/dbraw/zinc/53/24/22/386532422.db2.gz RWJQFGVVIXYQFM-VIFPVBQESA-N 1 2 221.279 2.263 20 30 BEEDLO Cc1nc(F)ccc1C[N@@H+](C)[C@H](C)CC#N ZINC000278480029 386533553 /nfs/dbraw/zinc/53/35/53/386533553.db2.gz RWJQFGVVIXYQFM-SECBINFHSA-N 1 2 221.279 2.263 20 30 BEEDLO Cc1nc(F)ccc1C[N@H+](C)[C@H](C)CC#N ZINC000278480029 386533559 /nfs/dbraw/zinc/53/35/59/386533559.db2.gz RWJQFGVVIXYQFM-SECBINFHSA-N 1 2 221.279 2.263 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(F)nc1C ZINC000278519360 386539200 /nfs/dbraw/zinc/53/92/00/386539200.db2.gz XWOSDVSDDPIHPM-UHFFFAOYSA-N 1 2 221.279 2.265 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(F)nc1C ZINC000278519360 386539204 /nfs/dbraw/zinc/53/92/04/386539204.db2.gz XWOSDVSDDPIHPM-UHFFFAOYSA-N 1 2 221.279 2.265 20 30 BEEDLO COCC[N@H+](Cc1ccco1)CC1(C#N)CC1 ZINC000343244085 386565101 /nfs/dbraw/zinc/56/51/01/386565101.db2.gz BXUAMHXMEGVXLA-UHFFFAOYSA-N 1 2 234.299 2.032 20 30 BEEDLO COCC[N@@H+](Cc1ccco1)CC1(C#N)CC1 ZINC000343244085 386565106 /nfs/dbraw/zinc/56/51/06/386565106.db2.gz BXUAMHXMEGVXLA-UHFFFAOYSA-N 1 2 234.299 2.032 20 30 BEEDLO C=C(Cl)C[N@@H+](CCO)Cc1ccccc1 ZINC000049752746 386656527 /nfs/dbraw/zinc/65/65/27/386656527.db2.gz MJIYWSRKJOTAOV-UHFFFAOYSA-N 1 2 225.719 2.233 20 30 BEEDLO C=C(Cl)C[N@H+](CCO)Cc1ccccc1 ZINC000049752746 386656531 /nfs/dbraw/zinc/65/65/31/386656531.db2.gz MJIYWSRKJOTAOV-UHFFFAOYSA-N 1 2 225.719 2.233 20 30 BEEDLO C=CCN(Cc1c[nH+]cn1CC)CC(F)(F)F ZINC000417749745 386651159 /nfs/dbraw/zinc/65/11/59/386651159.db2.gz FXVMNDMZRDJYLA-UHFFFAOYSA-N 1 2 247.264 2.453 20 30 BEEDLO Cc1c(C(=O)NCc2c[nH+]c[nH]2)cnn1C(C)C ZINC000330633102 386824225 /nfs/dbraw/zinc/82/42/25/386824225.db2.gz JFQAGZCHPJYBDL-UHFFFAOYSA-N 1 2 247.302 2.000 20 30 BEEDLO Cc1c(C(=O)NCc2c[nH]c[nH+]2)cnn1C(C)C ZINC000330633102 386824228 /nfs/dbraw/zinc/82/42/28/386824228.db2.gz JFQAGZCHPJYBDL-UHFFFAOYSA-N 1 2 247.302 2.000 20 30 BEEDLO CCN1C(=O)C(C)(C)[NH2+]C12CCC(C)(C#N)CC2 ZINC000334835554 386876412 /nfs/dbraw/zinc/87/64/12/386876412.db2.gz IBTZUGATYRSREE-UHFFFAOYSA-N 1 2 249.358 2.017 20 30 BEEDLO CCCc1noc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000330774346 386881360 /nfs/dbraw/zinc/88/13/60/386881360.db2.gz GMTWCGSVMVUODI-UHFFFAOYSA-N 1 2 248.330 2.148 20 30 BEEDLO COC[C@@]1(C)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399421422 387089435 /nfs/dbraw/zinc/08/94/35/387089435.db2.gz FOJLOZVXOBISAA-AWEZNQCLSA-N 1 2 245.326 2.125 20 30 BEEDLO COC[C@]1(C)CCN(c2cc(C)[nH+]cc2C#N)C1 ZINC000399421423 387090139 /nfs/dbraw/zinc/09/01/39/387090139.db2.gz FOJLOZVXOBISAA-CQSZACIVSA-N 1 2 245.326 2.125 20 30 BEEDLO Cc1cc(N[C@H]2CC[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399430006 387097646 /nfs/dbraw/zinc/09/76/46/387097646.db2.gz HURLIUKWWCVDGF-SKDRFNHKSA-N 1 2 215.300 2.284 20 30 BEEDLO Cc1cc(N[C@@H]2CC[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000399430000 387097922 /nfs/dbraw/zinc/09/79/22/387097922.db2.gz HURLIUKWWCVDGF-BXKDBHETSA-N 1 2 215.300 2.284 20 30 BEEDLO Cc1cc(NCC2CCCC2)c(C#N)c[nH+]1 ZINC000399445267 387101675 /nfs/dbraw/zinc/10/16/75/387101675.db2.gz LUJDNQMFVDCEQZ-UHFFFAOYSA-N 1 2 215.300 2.286 20 30 BEEDLO CCn1c[nH+]cc1CN1CCCC(C)(C)[C@@H]1C#N ZINC000334950547 387114456 /nfs/dbraw/zinc/11/44/56/387114456.db2.gz ZXXGIGALRAAZBN-ZDUSSCGKSA-N 1 2 246.358 2.417 20 30 BEEDLO COc1cc(C)nc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418137944 387174251 /nfs/dbraw/zinc/17/42/51/387174251.db2.gz FOEFYFAFGFVNMI-UHFFFAOYSA-N 1 2 245.326 2.182 20 30 BEEDLO COc1cc(C)[nH+]c(CNCC2(C#N)CCC2)c1 ZINC000418137944 387174256 /nfs/dbraw/zinc/17/42/56/387174256.db2.gz FOEFYFAFGFVNMI-UHFFFAOYSA-N 1 2 245.326 2.182 20 30 BEEDLO CC(C)(C#N)CCC[NH+]1CC(C)(C#N)C1 ZINC000571981221 387214244 /nfs/dbraw/zinc/21/42/44/387214244.db2.gz CQGPKUJPMLXPHG-UHFFFAOYSA-N 1 2 205.305 2.162 20 30 BEEDLO Cc1ccc(C[NH+]2CCC(F)(C#N)CC2)nc1 ZINC000352484598 387248941 /nfs/dbraw/zinc/24/89/41/387248941.db2.gz RHMLUHLBJRYNJL-UHFFFAOYSA-N 1 2 233.290 2.218 20 30 BEEDLO C=C(C)C(C)(C)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000424737991 387263928 /nfs/dbraw/zinc/26/39/28/387263928.db2.gz MDESUOFYMUOFPG-UHFFFAOYSA-N 1 2 249.358 2.334 20 30 BEEDLO C#CCCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000271719124 387447817 /nfs/dbraw/zinc/44/78/17/387447817.db2.gz YYPQAGZWPFEPFI-UHFFFAOYSA-N 1 2 241.294 2.466 20 30 BEEDLO Cn1c2ccccc2nc1C[N@H+](C)CCCC#N ZINC000083243115 387402906 /nfs/dbraw/zinc/40/29/06/387402906.db2.gz CFTUBIMQBYSZSR-UHFFFAOYSA-N 1 2 242.326 2.309 20 30 BEEDLO Cn1c2ccccc2nc1C[N@@H+](C)CCCC#N ZINC000083243115 387402910 /nfs/dbraw/zinc/40/29/10/387402910.db2.gz CFTUBIMQBYSZSR-UHFFFAOYSA-N 1 2 242.326 2.309 20 30 BEEDLO CC[N@@H+](Cc1ccnc(C)c1)C[C@H](C)C#N ZINC000527534352 387626787 /nfs/dbraw/zinc/62/67/87/387626787.db2.gz PEJIRXWCOPCTEZ-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](Cc1ccnc(C)c1)C[C@H](C)C#N ZINC000527534352 387626791 /nfs/dbraw/zinc/62/67/91/387626791.db2.gz PEJIRXWCOPCTEZ-LLVKDONJSA-N 1 2 217.316 2.372 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccnc(C)c1 ZINC000527536650 387632937 /nfs/dbraw/zinc/63/29/37/387632937.db2.gz XLNSPCINICEPHN-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccnc(C)c1 ZINC000527536650 387632939 /nfs/dbraw/zinc/63/29/39/387632939.db2.gz XLNSPCINICEPHN-UHFFFAOYSA-N 1 2 203.289 2.126 20 30 BEEDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093340127 387704477 /nfs/dbraw/zinc/70/44/77/387704477.db2.gz PSAHAYDNRDHWBB-LBPRGKRZSA-N 1 2 248.326 2.398 20 30 BEEDLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(C#N)o1 ZINC000093340127 387704482 /nfs/dbraw/zinc/70/44/82/387704482.db2.gz PSAHAYDNRDHWBB-LBPRGKRZSA-N 1 2 248.326 2.398 20 30 BEEDLO Cc1noc(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000038034017 387742417 /nfs/dbraw/zinc/74/24/17/387742417.db2.gz DNQINKZEGVGCPA-SECBINFHSA-N 1 2 242.282 2.101 20 30 BEEDLO N#CCc1cc[nH+]c(NCc2cscn2)c1 ZINC000309481432 387804082 /nfs/dbraw/zinc/80/40/82/387804082.db2.gz DUXKVBIWNLENLK-UHFFFAOYSA-N 1 2 230.296 2.216 20 30 BEEDLO C#CC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619944 387828087 /nfs/dbraw/zinc/82/80/87/387828087.db2.gz ZKSFWMPFXSNHTH-UHFFFAOYSA-N 1 2 210.280 2.159 20 30 BEEDLO C#CC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171619944 387828093 /nfs/dbraw/zinc/82/80/93/387828093.db2.gz ZKSFWMPFXSNHTH-UHFFFAOYSA-N 1 2 210.280 2.159 20 30 BEEDLO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442782956 387838877 /nfs/dbraw/zinc/83/88/77/387838877.db2.gz PEPPMYLQEMKHJI-LXTVHRRPSA-N 1 2 249.402 2.389 20 30 BEEDLO CCOCCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444727416 387917023 /nfs/dbraw/zinc/91/70/23/387917023.db2.gz DWWPQWWTBHSNSM-LBPRGKRZSA-N 1 2 224.348 2.427 20 30 BEEDLO CCOCCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444727416 387917028 /nfs/dbraw/zinc/91/70/28/387917028.db2.gz DWWPQWWTBHSNSM-LBPRGKRZSA-N 1 2 224.348 2.427 20 30 BEEDLO COCCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444733426 387917189 /nfs/dbraw/zinc/91/71/89/387917189.db2.gz QXEZLJXBMISRKH-LLVKDONJSA-N 1 2 210.321 2.037 20 30 BEEDLO COCCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000444733426 387917193 /nfs/dbraw/zinc/91/71/93/387917193.db2.gz QXEZLJXBMISRKH-LLVKDONJSA-N 1 2 210.321 2.037 20 30 BEEDLO C[C@@H](O)CCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444725520 387917700 /nfs/dbraw/zinc/91/77/00/387917700.db2.gz NJTCHVAIQPZKTE-NEPJUHHUSA-N 1 2 224.348 2.162 20 30 BEEDLO C[C@@H](O)CCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000444725520 387917703 /nfs/dbraw/zinc/91/77/03/387917703.db2.gz NJTCHVAIQPZKTE-NEPJUHHUSA-N 1 2 224.348 2.162 20 30 BEEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(C)o2)nn1 ZINC000424297600 387958269 /nfs/dbraw/zinc/95/82/69/387958269.db2.gz QYEOIEWSQQBCLY-NSHDSACASA-N 1 2 246.314 2.216 20 30 BEEDLO CN(C)c1[nH+]cccc1NC(=O)CC(C)(C)C#N ZINC000447348219 388065727 /nfs/dbraw/zinc/06/57/27/388065727.db2.gz QVILYYXSTOBUSF-UHFFFAOYSA-N 1 2 246.314 2.026 20 30 BEEDLO CCN(Cc1[nH+]ccn1C(C)C)C[C@@H](C)C#N ZINC000160834244 388092167 /nfs/dbraw/zinc/09/21/67/388092167.db2.gz MCXRALBREMJACD-LBPRGKRZSA-N 1 2 234.347 2.446 20 30 BEEDLO C=C(CC)CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455480773 388161199 /nfs/dbraw/zinc/16/11/99/388161199.db2.gz ONFJIWYFTMQYEF-GHMZBOCLSA-N 1 2 248.330 2.154 20 30 BEEDLO C=CC[C@H](C)NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454537506 388122156 /nfs/dbraw/zinc/12/21/56/388122156.db2.gz WSMIDQPSGPNHGP-GARJFASQSA-N 1 2 248.330 2.153 20 30 BEEDLO C=CCCCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454879467 388137981 /nfs/dbraw/zinc/13/79/81/388137981.db2.gz VRMOIDLFAXYIKO-WDEREUQCSA-N 1 2 248.330 2.154 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1ccc(COC)o1 ZINC000166703871 388255146 /nfs/dbraw/zinc/25/51/46/388255146.db2.gz JVOHUSMNIVTOLI-UHFFFAOYSA-N 1 2 215.680 2.268 20 30 BEEDLO C#CC[N@@H+](CC)Cc1nc(C)c2ccccc2n1 ZINC000490840962 388256908 /nfs/dbraw/zinc/25/69/08/388256908.db2.gz QWCVXICYEFGMGR-UHFFFAOYSA-N 1 2 239.322 2.393 20 30 BEEDLO C#CC[N@H+](CC)Cc1nc(C)c2ccccc2n1 ZINC000490840962 388256909 /nfs/dbraw/zinc/25/69/09/388256909.db2.gz QWCVXICYEFGMGR-UHFFFAOYSA-N 1 2 239.322 2.393 20 30 BEEDLO C#CC[N@@H+](Cc1nccc(C)n1)C1CCCC1 ZINC000490873144 388257068 /nfs/dbraw/zinc/25/70/68/388257068.db2.gz HVIFIOGRNGKCHC-UHFFFAOYSA-N 1 2 229.327 2.163 20 30 BEEDLO C#CC[N@H+](Cc1nccc(C)n1)C1CCCC1 ZINC000490873144 388257071 /nfs/dbraw/zinc/25/70/71/388257071.db2.gz HVIFIOGRNGKCHC-UHFFFAOYSA-N 1 2 229.327 2.163 20 30 BEEDLO C#CC[N@@H+](CC)CC(=O)Nc1ccc(CC)cc1 ZINC000490865544 388257541 /nfs/dbraw/zinc/25/75/41/388257541.db2.gz DLHGZIZCNAWCKM-UHFFFAOYSA-N 1 2 244.338 2.143 20 30 BEEDLO C#CC[N@H+](CC)CC(=O)Nc1ccc(CC)cc1 ZINC000490865544 388257543 /nfs/dbraw/zinc/25/75/43/388257543.db2.gz DLHGZIZCNAWCKM-UHFFFAOYSA-N 1 2 244.338 2.143 20 30 BEEDLO C=CCCCC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456419988 388200480 /nfs/dbraw/zinc/20/04/80/388200480.db2.gz MEZHABZOQBWICP-WDEREUQCSA-N 1 2 233.315 2.361 20 30 BEEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000489431906 388213616 /nfs/dbraw/zinc/21/36/16/388213616.db2.gz QSMGJBGQXJPPQF-LLVKDONJSA-N 1 2 232.331 2.223 20 30 BEEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(C2CC2)[nH]1 ZINC000489431906 388213617 /nfs/dbraw/zinc/21/36/17/388213617.db2.gz QSMGJBGQXJPPQF-LLVKDONJSA-N 1 2 232.331 2.223 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cnc(Cl)c(C)c1 ZINC000490916452 388259673 /nfs/dbraw/zinc/25/96/73/388259673.db2.gz SMEGUSQXPGTUJX-UHFFFAOYSA-N 1 2 232.714 2.112 20 30 BEEDLO C#CC[NH+](CC#C)Cc1cnc2ccccc2c1 ZINC000490648576 388246093 /nfs/dbraw/zinc/24/60/93/388246093.db2.gz ADDITFMHDLVSAW-UHFFFAOYSA-N 1 2 234.302 2.303 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cccc([N+](=O)[O-])c1 ZINC000490688727 388247402 /nfs/dbraw/zinc/24/74/02/388247402.db2.gz KSTQZKRTAWKCTK-UHFFFAOYSA-N 1 2 242.278 2.053 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cccc([N+](=O)[O-])c1 ZINC000490688727 388247403 /nfs/dbraw/zinc/24/74/03/388247403.db2.gz KSTQZKRTAWKCTK-UHFFFAOYSA-N 1 2 242.278 2.053 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)c1c[nH]c2ccccc21 ZINC000491288254 388282407 /nfs/dbraw/zinc/28/24/07/388282407.db2.gz QKHCNIHOAINRFK-LLVKDONJSA-N 1 2 240.306 2.304 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)c1c[nH]c2ccccc21 ZINC000491288254 388282408 /nfs/dbraw/zinc/28/24/08/388282408.db2.gz QKHCNIHOAINRFK-LLVKDONJSA-N 1 2 240.306 2.304 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000491287702 388282477 /nfs/dbraw/zinc/28/24/77/388282477.db2.gz NRVJLGPPUSPZJB-LBPRGKRZSA-N 1 2 244.338 2.141 20 30 BEEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000491287702 388282479 /nfs/dbraw/zinc/28/24/79/388282479.db2.gz NRVJLGPPUSPZJB-LBPRGKRZSA-N 1 2 244.338 2.141 20 30 BEEDLO C#C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(F)cc1 ZINC000491352116 388287561 /nfs/dbraw/zinc/28/75/61/388287561.db2.gz XNCZKZCXWIHJRZ-AWEZNQCLSA-N 1 2 243.285 2.023 20 30 BEEDLO C#CC[N@@H+](Cc1cc(COC)on1)C1CCCC1 ZINC000491372159 388289158 /nfs/dbraw/zinc/28/91/58/388289158.db2.gz IDALZYIAMMFFJG-UHFFFAOYSA-N 1 2 248.326 2.199 20 30 BEEDLO C#CC[N@H+](Cc1cc(COC)on1)C1CCCC1 ZINC000491372159 388289160 /nfs/dbraw/zinc/28/91/60/388289160.db2.gz IDALZYIAMMFFJG-UHFFFAOYSA-N 1 2 248.326 2.199 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000491653243 388308125 /nfs/dbraw/zinc/30/81/25/388308125.db2.gz CIVVPFYAHRCHIP-VIFPVBQESA-N 1 2 247.323 2.252 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000491653243 388308126 /nfs/dbraw/zinc/30/81/26/388308126.db2.gz CIVVPFYAHRCHIP-VIFPVBQESA-N 1 2 247.323 2.252 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000491711326 388313914 /nfs/dbraw/zinc/31/39/14/388313914.db2.gz WCGDEMJBPYXTLN-RYUDHWBXSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000491711326 388313915 /nfs/dbraw/zinc/31/39/15/388313915.db2.gz WCGDEMJBPYXTLN-RYUDHWBXSA-N 1 2 243.297 2.146 20 30 BEEDLO C#C[C@@H]([NH2+]Cc1cncn1C)c1ccc(F)cc1 ZINC000491747101 388317181 /nfs/dbraw/zinc/31/71/81/388317181.db2.gz PEWDHDHVUUDMOP-CQSZACIVSA-N 1 2 243.285 2.023 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(CC)c1 ZINC000491788480 388321230 /nfs/dbraw/zinc/32/12/30/388321230.db2.gz ZGMOZRADTZPILA-GFCCVEGCSA-N 1 2 244.338 2.141 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(CC)c1 ZINC000491788480 388321231 /nfs/dbraw/zinc/32/12/31/388321231.db2.gz ZGMOZRADTZPILA-GFCCVEGCSA-N 1 2 244.338 2.141 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1cccc2cc[nH]c21 ZINC000491808725 388322415 /nfs/dbraw/zinc/32/24/15/388322415.db2.gz WDHNSXCJAYTHBY-CQSZACIVSA-N 1 2 240.306 2.002 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1cccc2cc[nH]c21 ZINC000491808725 388322416 /nfs/dbraw/zinc/32/24/16/388322416.db2.gz WDHNSXCJAYTHBY-CQSZACIVSA-N 1 2 240.306 2.002 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1c(Cl)nc2ccccn21 ZINC000491819450 388323839 /nfs/dbraw/zinc/32/38/39/388323839.db2.gz TYQIVNPIJYOZHL-SNVBAGLBSA-N 1 2 247.729 2.441 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1c(Cl)nc2ccccn21 ZINC000491819450 388323840 /nfs/dbraw/zinc/32/38/40/388323840.db2.gz TYQIVNPIJYOZHL-SNVBAGLBSA-N 1 2 247.729 2.441 20 30 BEEDLO C=C(CC)C[NH2+][C@](C)(CCC)C(=O)OC ZINC000336663286 388262259 /nfs/dbraw/zinc/26/22/59/388262259.db2.gz COBFGUVRTDDLIN-GFCCVEGCSA-N 1 2 213.321 2.274 20 30 BEEDLO C#C[C@H]([NH2+]Cc1ccnn1C)c1ccc(F)cc1 ZINC000491231602 388278450 /nfs/dbraw/zinc/27/84/50/388278450.db2.gz USKOXAUDQSGCCK-AWEZNQCLSA-N 1 2 243.285 2.023 20 30 BEEDLO C=CCOc1cccc(-n2cc[nH+]c2)c1 ZINC000165339762 388399395 /nfs/dbraw/zinc/39/93/95/388399395.db2.gz AIWULMLAEACQLU-UHFFFAOYSA-N 1 2 200.241 2.437 20 30 BEEDLO N#CCC[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000573083604 388418926 /nfs/dbraw/zinc/41/89/26/388418926.db2.gz CSVLBHKGHHXIBI-UHFFFAOYSA-N 1 2 229.205 2.104 20 30 BEEDLO CSCCC[N@H+](C)Cc1nc(C#N)cs1 ZINC000356304959 388606646 /nfs/dbraw/zinc/60/66/46/388606646.db2.gz PVBJPNAGJAZYDO-UHFFFAOYSA-N 1 2 241.385 2.200 20 30 BEEDLO CSCCC[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356304959 388606647 /nfs/dbraw/zinc/60/66/47/388606647.db2.gz PVBJPNAGJAZYDO-UHFFFAOYSA-N 1 2 241.385 2.200 20 30 BEEDLO Cc1cc(C[NH2+]Cc2ccc(C#N)c(C)c2)no1 ZINC000519622780 388665337 /nfs/dbraw/zinc/66/53/37/388665337.db2.gz IBTWWCLSYFOGNO-UHFFFAOYSA-N 1 2 241.294 2.453 20 30 BEEDLO C=C(C)C[N@@H+](CC)Cc1nnc(C2CC2)o1 ZINC000125692723 388674308 /nfs/dbraw/zinc/67/43/08/388674308.db2.gz VQIWPPJJJMUEOK-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO C=C(C)C[N@H+](CC)Cc1nnc(C2CC2)o1 ZINC000125692723 388674309 /nfs/dbraw/zinc/67/43/09/388674309.db2.gz VQIWPPJJJMUEOK-UHFFFAOYSA-N 1 2 221.304 2.345 20 30 BEEDLO C[C@@H]1CC[C@@H](C[N@@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000405095382 388637450 /nfs/dbraw/zinc/63/74/50/388637450.db2.gz ZAFBIKAVMDIIMH-RISCZKNCSA-N 1 2 242.322 2.441 20 30 BEEDLO C[C@@H]1CC[C@@H](C[N@H+]2Cc3cccc(C#N)c3C2)O1 ZINC000405095382 388637453 /nfs/dbraw/zinc/63/74/53/388637453.db2.gz ZAFBIKAVMDIIMH-RISCZKNCSA-N 1 2 242.322 2.441 20 30 BEEDLO CC[C@H](Nc1ncc(C#N)cc1F)c1[nH]cc[nH+]1 ZINC000413249324 388661958 /nfs/dbraw/zinc/66/19/58/388661958.db2.gz PHCAWXMZDXKUEH-JTQLQIEISA-N 1 2 245.261 2.379 20 30 BEEDLO CCC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCO1 ZINC000093508647 388744753 /nfs/dbraw/zinc/74/47/53/388744753.db2.gz AIBJGKVUZNKTSX-GFCCVEGCSA-N 1 2 234.299 2.152 20 30 BEEDLO CCC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCO1 ZINC000093508647 388744755 /nfs/dbraw/zinc/74/47/55/388744755.db2.gz AIBJGKVUZNKTSX-GFCCVEGCSA-N 1 2 234.299 2.152 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000093645816 388745798 /nfs/dbraw/zinc/74/57/98/388745798.db2.gz DVBRELPXONUCCY-ZDUSSCGKSA-N 1 2 248.351 2.231 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000093645816 388745800 /nfs/dbraw/zinc/74/58/00/388745800.db2.gz DVBRELPXONUCCY-ZDUSSCGKSA-N 1 2 248.351 2.231 20 30 BEEDLO CCOc1cccc(C[N@H+](CC)CCC#N)n1 ZINC000127632711 388728583 /nfs/dbraw/zinc/72/85/83/388728583.db2.gz KVLKORLCYIDRQP-UHFFFAOYSA-N 1 2 233.315 2.216 20 30 BEEDLO CCOc1cccc(C[N@@H+](CC)CCC#N)n1 ZINC000127632711 388728586 /nfs/dbraw/zinc/72/85/86/388728586.db2.gz KVLKORLCYIDRQP-UHFFFAOYSA-N 1 2 233.315 2.216 20 30 BEEDLO C=CC[N@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000540056039 388793304 /nfs/dbraw/zinc/79/33/04/388793304.db2.gz BBKKLQRLFDCOQQ-UHFFFAOYSA-N 1 2 219.288 2.097 20 30 BEEDLO C=CC[N@@H+](Cc1nnc(C2CC2)o1)C1CC1 ZINC000540056039 388793308 /nfs/dbraw/zinc/79/33/08/388793308.db2.gz BBKKLQRLFDCOQQ-UHFFFAOYSA-N 1 2 219.288 2.097 20 30 BEEDLO N#CCC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000541933388 388877435 /nfs/dbraw/zinc/87/74/35/388877435.db2.gz JFOXYEALKMKLGA-UHFFFAOYSA-N 1 2 242.326 2.484 20 30 BEEDLO C=CCCCCNc1[nH+]cnc2c1cnn2C ZINC000274525564 389046936 /nfs/dbraw/zinc/04/69/36/389046936.db2.gz PZGRXLRDOPBFFV-UHFFFAOYSA-N 1 2 231.303 2.132 20 30 BEEDLO C[C@H](CCCC#N)[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001172494765 974844779 /nfs/dbraw/zinc/84/47/79/974844779.db2.gz XXDBWTFEOCLKOV-GHMZBOCLSA-N 1 2 226.295 2.072 20 30 BEEDLO C[C@H](CCCC#N)[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001172494765 974844782 /nfs/dbraw/zinc/84/47/82/974844782.db2.gz XXDBWTFEOCLKOV-GHMZBOCLSA-N 1 2 226.295 2.072 20 30 BEEDLO C#C[C@@H](C)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000302332342 533235808 /nfs/dbraw/zinc/23/58/08/533235808.db2.gz ADXBYSJFWTWTMK-SNVBAGLBSA-N 1 2 238.294 2.281 20 30 BEEDLO C=C(C)CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000336119615 533514455 /nfs/dbraw/zinc/51/44/55/533514455.db2.gz CAJRWLNMNQTOQV-UHFFFAOYSA-N 1 2 244.298 2.340 20 30 BEEDLO N#Cc1csc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000336088417 134077304 /nfs/dbraw/zinc/07/73/04/134077304.db2.gz QMLDGIIRQIFECO-ZDUSSCGKSA-N 1 2 248.351 2.231 20 30 BEEDLO N#Cc1csc(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000336088417 134077305 /nfs/dbraw/zinc/07/73/05/134077305.db2.gz QMLDGIIRQIFECO-ZDUSSCGKSA-N 1 2 248.351 2.231 20 30 BEEDLO C=C(C[NH2+][C@@H](C(=O)OC)C1CC1)c1ccccc1 ZINC000352266768 134128765 /nfs/dbraw/zinc/12/87/65/134128765.db2.gz XSRNCWDYMXDXED-CQSZACIVSA-N 1 2 245.322 2.241 20 30 BEEDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCC#N)C1 ZINC000336283704 134142415 /nfs/dbraw/zinc/14/24/15/134142415.db2.gz NXCAOHHOUOMLHK-AAEUAGOBSA-N 1 2 215.300 2.378 20 30 BEEDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCC#N)C1 ZINC000336283704 134142416 /nfs/dbraw/zinc/14/24/16/134142416.db2.gz NXCAOHHOUOMLHK-AAEUAGOBSA-N 1 2 215.300 2.378 20 30 BEEDLO C=C[C@@H](C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000336313125 134142891 /nfs/dbraw/zinc/14/28/91/134142891.db2.gz VTBVDXQCMUCUET-MRVPVSSYSA-N 1 2 219.288 2.394 20 30 BEEDLO N#CCC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000336533057 134149379 /nfs/dbraw/zinc/14/93/79/134149379.db2.gz SCUGZAVPFDUMSV-AWEZNQCLSA-N 1 2 228.295 2.031 20 30 BEEDLO N#CCC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000336533057 134149380 /nfs/dbraw/zinc/14/93/80/134149380.db2.gz SCUGZAVPFDUMSV-AWEZNQCLSA-N 1 2 228.295 2.031 20 30 BEEDLO COc1ccc(C[N@H+](C)CC(C)(C)C#N)cn1 ZINC000354008415 134165852 /nfs/dbraw/zinc/16/58/52/134165852.db2.gz DCTHKBYNTACJII-UHFFFAOYSA-N 1 2 233.315 2.072 20 30 BEEDLO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)cn1 ZINC000354008415 134165853 /nfs/dbraw/zinc/16/58/53/134165853.db2.gz DCTHKBYNTACJII-UHFFFAOYSA-N 1 2 233.315 2.072 20 30 BEEDLO CN(Cc1cn2ccccc2[nH+]1)CC(C)(C)C#N ZINC000354018227 134166051 /nfs/dbraw/zinc/16/60/51/134166051.db2.gz OWZBIDSJTIKTJD-UHFFFAOYSA-N 1 2 242.326 2.316 20 30 BEEDLO Cc1noc(C)c1C[N@@H+](C)CC(C)(C)C#N ZINC000354016690 134166351 /nfs/dbraw/zinc/16/63/51/134166351.db2.gz BWMZPAXVFHVYAQ-UHFFFAOYSA-N 1 2 221.304 2.273 20 30 BEEDLO Cc1noc(C)c1C[N@H+](C)CC(C)(C)C#N ZINC000354016690 134166352 /nfs/dbraw/zinc/16/63/52/134166352.db2.gz BWMZPAXVFHVYAQ-UHFFFAOYSA-N 1 2 221.304 2.273 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356433238 134178151 /nfs/dbraw/zinc/17/81/51/134178151.db2.gz GXEXQHQULJXLBK-UHFFFAOYSA-N 1 2 207.302 2.023 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356433238 134178152 /nfs/dbraw/zinc/17/81/52/134178152.db2.gz GXEXQHQULJXLBK-UHFFFAOYSA-N 1 2 207.302 2.023 20 30 BEEDLO C=CCOCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000356655033 134179089 /nfs/dbraw/zinc/17/90/89/134179089.db2.gz QVRIPFVIMFJVQY-UHFFFAOYSA-N 1 2 234.299 2.148 20 30 BEEDLO C=C[C@@H](CO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000357578507 134184278 /nfs/dbraw/zinc/18/42/78/134184278.db2.gz HAMSCGHXQBKEMM-NSHDSACASA-N 1 2 232.258 2.333 20 30 BEEDLO CC(C)CCC[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000370476400 134226029 /nfs/dbraw/zinc/22/60/29/134226029.db2.gz MMMOGOCJBWBQMA-CQSZACIVSA-N 1 2 235.375 2.095 20 30 BEEDLO CC(C)CCC[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000370476400 134226030 /nfs/dbraw/zinc/22/60/30/134226030.db2.gz MMMOGOCJBWBQMA-CQSZACIVSA-N 1 2 235.375 2.095 20 30 BEEDLO C=CCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371444513 134228746 /nfs/dbraw/zinc/22/87/46/134228746.db2.gz YVMSAFUFHAOCMI-JTQLQIEISA-N 1 2 219.288 2.039 20 30 BEEDLO N#CCC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000374608133 134237707 /nfs/dbraw/zinc/23/77/07/134237707.db2.gz BDJCTKXBCWGXBI-CYBMUJFWSA-N 1 2 234.274 2.192 20 30 BEEDLO N#CCC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000374608133 134237708 /nfs/dbraw/zinc/23/77/08/134237708.db2.gz BDJCTKXBCWGXBI-CYBMUJFWSA-N 1 2 234.274 2.192 20 30 BEEDLO C=C(Cl)C[N@H+]1CCCCC[C@H]1C(=O)OC ZINC000378579872 134246143 /nfs/dbraw/zinc/24/61/43/134246143.db2.gz RBXVBJQHNZAQCN-JTQLQIEISA-N 1 2 231.723 2.157 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCCCC[C@H]1C(=O)OC ZINC000378579872 134246144 /nfs/dbraw/zinc/24/61/44/134246144.db2.gz RBXVBJQHNZAQCN-JTQLQIEISA-N 1 2 231.723 2.157 20 30 BEEDLO CC[N@@H+](Cc1cnn2ccccc12)C[C@H](C)C#N ZINC000179818501 134324370 /nfs/dbraw/zinc/32/43/70/134324370.db2.gz APSNYPZCAOZFOD-GFCCVEGCSA-N 1 2 242.326 2.316 20 30 BEEDLO CC[N@H+](Cc1cnn2ccccc12)C[C@H](C)C#N ZINC000179818501 134324371 /nfs/dbraw/zinc/32/43/71/134324371.db2.gz APSNYPZCAOZFOD-GFCCVEGCSA-N 1 2 242.326 2.316 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1ccoc1C(=O)OC ZINC000181319102 134335636 /nfs/dbraw/zinc/33/56/36/134335636.db2.gz VHOFDCWATRIKNF-UHFFFAOYSA-N 1 2 223.272 2.074 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1ccoc1C(=O)OC ZINC000181319102 134335637 /nfs/dbraw/zinc/33/56/37/134335637.db2.gz VHOFDCWATRIKNF-UHFFFAOYSA-N 1 2 223.272 2.074 20 30 BEEDLO Cc1ccc(C#N)cc1OCc1c[nH+]cn1C ZINC000229948128 134470014 /nfs/dbraw/zinc/47/00/14/134470014.db2.gz KTQOZYAXFMIVIZ-UHFFFAOYSA-N 1 2 227.267 2.179 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000337177881 135002850 /nfs/dbraw/zinc/00/28/50/135002850.db2.gz JYPNPPDRBWWIQV-UHFFFAOYSA-N 1 2 242.326 2.275 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000337177881 135002852 /nfs/dbraw/zinc/00/28/52/135002852.db2.gz JYPNPPDRBWWIQV-UHFFFAOYSA-N 1 2 242.326 2.275 20 30 BEEDLO C=C(C)C[N@@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000338291623 135031460 /nfs/dbraw/zinc/03/14/60/135031460.db2.gz XLKLBDXVVKUZKN-QMMMGPOBSA-N 1 2 211.334 2.415 20 30 BEEDLO C=C(C)C[N@H+](C)[C@@H](C)c1nnc(C)s1 ZINC000338291623 135031461 /nfs/dbraw/zinc/03/14/61/135031461.db2.gz XLKLBDXVVKUZKN-QMMMGPOBSA-N 1 2 211.334 2.415 20 30 BEEDLO CC[N@H+](CCC#N)Cc1ccc(C#N)c(OC)c1 ZINC000233436138 135032612 /nfs/dbraw/zinc/03/26/12/135032612.db2.gz XMDUQMCOGYALBI-UHFFFAOYSA-N 1 2 243.310 2.302 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1ccc(C#N)c(OC)c1 ZINC000233436138 135032613 /nfs/dbraw/zinc/03/26/13/135032613.db2.gz XMDUQMCOGYALBI-UHFFFAOYSA-N 1 2 243.310 2.302 20 30 BEEDLO C=C(C)C[N@@H+](C)Cc1nccn1C(F)F ZINC000076647664 135045128 /nfs/dbraw/zinc/04/51/28/135045128.db2.gz XXZBUWVPUWKOJS-UHFFFAOYSA-N 1 2 215.247 2.286 20 30 BEEDLO C=C(C)C[N@H+](C)Cc1nccn1C(F)F ZINC000076647664 135045131 /nfs/dbraw/zinc/04/51/31/135045131.db2.gz XXZBUWVPUWKOJS-UHFFFAOYSA-N 1 2 215.247 2.286 20 30 BEEDLO N#CCCOCC[N@@H+](CC(F)F)CC1CCC1 ZINC000339058874 135056246 /nfs/dbraw/zinc/05/62/46/135056246.db2.gz XWMKXADPEGSBST-UHFFFAOYSA-N 1 2 246.301 2.284 20 30 BEEDLO N#CCCOCC[N@H+](CC(F)F)CC1CCC1 ZINC000339058874 135056248 /nfs/dbraw/zinc/05/62/48/135056248.db2.gz XWMKXADPEGSBST-UHFFFAOYSA-N 1 2 246.301 2.284 20 30 BEEDLO CC#CC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339435603 135073865 /nfs/dbraw/zinc/07/38/65/135073865.db2.gz AWABZGZFUOAELE-NSHDSACASA-N 1 2 249.276 2.442 20 30 BEEDLO CC#CC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339435603 135073870 /nfs/dbraw/zinc/07/38/70/135073870.db2.gz AWABZGZFUOAELE-NSHDSACASA-N 1 2 249.276 2.442 20 30 BEEDLO N#CC[N@H+](C[C@@H]1CCCCO1)C1CCCC1 ZINC000078003537 135090067 /nfs/dbraw/zinc/09/00/67/135090067.db2.gz WLWIEPSOCPAGIM-ZDUSSCGKSA-N 1 2 222.332 2.324 20 30 BEEDLO N#CC[N@@H+](C[C@@H]1CCCCO1)C1CCCC1 ZINC000078003537 135090068 /nfs/dbraw/zinc/09/00/68/135090068.db2.gz WLWIEPSOCPAGIM-ZDUSSCGKSA-N 1 2 222.332 2.324 20 30 BEEDLO C[N@H+](Cc1ccncc1)CC(C)(C)C#N ZINC000258883576 135135414 /nfs/dbraw/zinc/13/54/14/135135414.db2.gz IKPXMCVCGIUDNH-UHFFFAOYSA-N 1 2 203.289 2.063 20 30 BEEDLO C[N@@H+](Cc1ccncc1)CC(C)(C)C#N ZINC000258883576 135135415 /nfs/dbraw/zinc/13/54/15/135135415.db2.gz IKPXMCVCGIUDNH-UHFFFAOYSA-N 1 2 203.289 2.063 20 30 BEEDLO Oc1ccccc1/C=[NH+]/CCOCC1CC1 ZINC000264562456 135139000 /nfs/dbraw/zinc/13/90/00/135139000.db2.gz RJWSXUZFFGJVFL-NTEUORMPSA-N 1 2 219.284 2.238 20 30 BEEDLO CC[N@H+](CCC#N)Cc1sc(C)nc1C ZINC000267105197 135151739 /nfs/dbraw/zinc/15/17/39/135151739.db2.gz VLZQCFZSPGYRMH-UHFFFAOYSA-N 1 2 223.345 2.496 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1sc(C)nc1C ZINC000267105197 135151741 /nfs/dbraw/zinc/15/17/41/135151741.db2.gz VLZQCFZSPGYRMH-UHFFFAOYSA-N 1 2 223.345 2.496 20 30 BEEDLO Cc1nc(CC(N)=[NH+]OCCC(C)C)cs1 ZINC000267867075 135156757 /nfs/dbraw/zinc/15/67/57/135156757.db2.gz JAQRHNCIAVOPLU-UHFFFAOYSA-N 1 2 241.360 2.329 20 30 BEEDLO N#CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000268262992 135157927 /nfs/dbraw/zinc/15/79/27/135157927.db2.gz LPPIWGSNJGQVQU-RYUDHWBXSA-N 1 2 234.299 2.081 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000268262992 135157929 /nfs/dbraw/zinc/15/79/29/135157929.db2.gz LPPIWGSNJGQVQU-RYUDHWBXSA-N 1 2 234.299 2.081 20 30 BEEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(CC)no1 ZINC000297783193 135196244 /nfs/dbraw/zinc/19/62/44/135196244.db2.gz GTWDSMYIZNYVET-JTQLQIEISA-N 1 2 221.304 2.367 20 30 BEEDLO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)c(OC)c1 ZINC000298681384 135200013 /nfs/dbraw/zinc/20/00/13/135200013.db2.gz OIZZAZDCGVKQFK-NSHDSACASA-N 1 2 248.326 2.295 20 30 BEEDLO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)c(OC)c1 ZINC000298681384 135200014 /nfs/dbraw/zinc/20/00/14/135200014.db2.gz OIZZAZDCGVKQFK-NSHDSACASA-N 1 2 248.326 2.295 20 30 BEEDLO N#CCC[NH2+]C1(c2nccs2)CCCC1 ZINC000298682293 135200206 /nfs/dbraw/zinc/20/02/06/135200206.db2.gz SAPTWANPHGHDMF-UHFFFAOYSA-N 1 2 221.329 2.416 20 30 BEEDLO N#CCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000299717217 135206448 /nfs/dbraw/zinc/20/64/48/135206448.db2.gz RSZQDBYAQBECPK-LBPRGKRZSA-N 1 2 201.273 2.132 20 30 BEEDLO N#CCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000299717217 135206449 /nfs/dbraw/zinc/20/64/49/135206449.db2.gz RSZQDBYAQBECPK-LBPRGKRZSA-N 1 2 201.273 2.132 20 30 BEEDLO COc1ccc(OC)c(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000299158352 135379995 /nfs/dbraw/zinc/37/99/95/135379995.db2.gz JWRITFYRZBCNFY-NSHDSACASA-N 1 2 248.326 2.295 20 30 BEEDLO COc1ccc(OC)c(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000299158352 135379996 /nfs/dbraw/zinc/37/99/96/135379996.db2.gz JWRITFYRZBCNFY-NSHDSACASA-N 1 2 248.326 2.295 20 30 BEEDLO Cc1ccc(NC(=O)[C@]2(C#N)C[C@@H]2C)c(C)[nH+]1 ZINC000334540110 135689247 /nfs/dbraw/zinc/68/92/47/135689247.db2.gz GPUYAJMELDYNNT-SDBXPKJASA-N 1 2 229.283 2.187 20 30 BEEDLO C=CC(C)(C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001647828009 1172766189 /nfs/dbraw/zinc/76/61/89/1172766189.db2.gz JOHULCBJCZHNLC-UHFFFAOYSA-N 1 2 235.331 2.362 20 30 BEEDLO C=CC(C)(C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001647828009 1172766194 /nfs/dbraw/zinc/76/61/94/1172766194.db2.gz JOHULCBJCZHNLC-UHFFFAOYSA-N 1 2 235.331 2.362 20 30 BEEDLO CCn1nc(C)c(C[N@H+](C)C[C@@H](C)C#N)c1C ZINC000271131614 397962733 /nfs/dbraw/zinc/96/27/33/397962733.db2.gz ORIURFLJLDUOMU-JTQLQIEISA-N 1 2 234.347 2.111 20 30 BEEDLO CCn1nc(C)c(C[N@@H+](C)C[C@@H](C)C#N)c1C ZINC000271131614 397962736 /nfs/dbraw/zinc/96/27/36/397962736.db2.gz ORIURFLJLDUOMU-JTQLQIEISA-N 1 2 234.347 2.111 20 30 BEEDLO CC#CCN(C)c1nc(C2CC2)[nH+]c2c1CCC2 ZINC000555267936 398000121 /nfs/dbraw/zinc/00/01/21/398000121.db2.gz DLIZUDSESRCYAM-UHFFFAOYSA-N 1 2 241.338 2.302 20 30 BEEDLO C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000176841493 398047237 /nfs/dbraw/zinc/04/72/37/398047237.db2.gz IZEPWKNZBNMKMK-CQSZACIVSA-N 1 2 245.322 2.162 20 30 BEEDLO C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000176841493 398047239 /nfs/dbraw/zinc/04/72/39/398047239.db2.gz IZEPWKNZBNMKMK-CQSZACIVSA-N 1 2 245.322 2.162 20 30 BEEDLO C#CC[N@@H+](C)CC(=O)N[C@@H](C)CCCCCC ZINC000491407757 398040666 /nfs/dbraw/zinc/04/06/66/398040666.db2.gz SOYVBWMSOYECCI-ZDUSSCGKSA-N 1 2 238.375 2.027 20 30 BEEDLO C#CC[N@H+](C)CC(=O)N[C@@H](C)CCCCCC ZINC000491407757 398040671 /nfs/dbraw/zinc/04/06/71/398040671.db2.gz SOYVBWMSOYECCI-ZDUSSCGKSA-N 1 2 238.375 2.027 20 30 BEEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000271718499 397970958 /nfs/dbraw/zinc/97/09/58/397970958.db2.gz JBWOUKWZCSSFOE-NSHDSACASA-N 1 2 242.326 2.165 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000271718499 397970962 /nfs/dbraw/zinc/97/09/62/397970962.db2.gz JBWOUKWZCSSFOE-NSHDSACASA-N 1 2 242.326 2.165 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000491789830 398069601 /nfs/dbraw/zinc/06/96/01/398069601.db2.gz VYJSSTYJRZWZEW-LBPRGKRZSA-N 1 2 237.306 2.264 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000491789830 398069604 /nfs/dbraw/zinc/06/96/04/398069604.db2.gz VYJSSTYJRZWZEW-LBPRGKRZSA-N 1 2 237.306 2.264 20 30 BEEDLO COCC(C)(C)C/[NH+]=C/c1ccccc1O ZINC000292091944 398101022 /nfs/dbraw/zinc/10/10/22/398101022.db2.gz NTWUALZTXFORDP-RIYZIHGNSA-N 1 2 221.300 2.484 20 30 BEEDLO C=CC[N@@H+](CCC#N)CCc1scnc1C ZINC000292151005 398102264 /nfs/dbraw/zinc/10/22/64/398102264.db2.gz KEJXAVINURDKME-UHFFFAOYSA-N 1 2 235.356 2.396 20 30 BEEDLO C=CC[N@H+](CCC#N)CCc1scnc1C ZINC000292151005 398102267 /nfs/dbraw/zinc/10/22/67/398102267.db2.gz KEJXAVINURDKME-UHFFFAOYSA-N 1 2 235.356 2.396 20 30 BEEDLO C#CC[N@@H+](C)Cc1nc2cc(F)ccc2n1CC ZINC000192239418 398107453 /nfs/dbraw/zinc/10/74/53/398107453.db2.gz IFPZNZWJFZPSAK-UHFFFAOYSA-N 1 2 245.301 2.260 20 30 BEEDLO C#CC[N@H+](C)Cc1nc2cc(F)ccc2n1CC ZINC000192239418 398107455 /nfs/dbraw/zinc/10/74/55/398107455.db2.gz IFPZNZWJFZPSAK-UHFFFAOYSA-N 1 2 245.301 2.260 20 30 BEEDLO Cc1noc(C)c1C[NH2+]Cc1ccc(C#N)o1 ZINC000135163240 398133225 /nfs/dbraw/zinc/13/32/25/398133225.db2.gz KKWYBVUWJPYZON-UHFFFAOYSA-N 1 2 231.255 2.046 20 30 BEEDLO CCC#C[C@H](C)[NH+]1CCN(CC(C)(F)F)CC1 ZINC001648437710 1172831733 /nfs/dbraw/zinc/83/17/33/1172831733.db2.gz PXTHCVJOEDIRLJ-LBPRGKRZSA-N 1 2 244.329 2.061 20 30 BEEDLO C=CC[C@H]([NH2+]Cc1ccon1)c1ccncc1 ZINC001649805323 1172880399 /nfs/dbraw/zinc/88/03/99/1172880399.db2.gz BZZANFIHXWYJKC-ZDUSSCGKSA-N 1 2 229.283 2.477 20 30 BEEDLO C=CC[C@H]([NH2+]Cc1c[nH]cn1)c1ccncc1 ZINC001649805373 1172880495 /nfs/dbraw/zinc/88/04/95/1172880495.db2.gz CRIUESKUULQVCR-ZDUSSCGKSA-N 1 2 228.299 2.212 20 30 BEEDLO C#CC(C)(C)[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000279180231 166111504 /nfs/dbraw/zinc/11/15/04/166111504.db2.gz CTVCGJRGKXCZFP-UHFFFAOYSA-N 1 2 239.750 2.226 20 30 BEEDLO C#CC(C)(C)[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000279180231 166111509 /nfs/dbraw/zinc/11/15/09/166111509.db2.gz CTVCGJRGKXCZFP-UHFFFAOYSA-N 1 2 239.750 2.226 20 30 BEEDLO Cc1c[nH]c(Nc2snc(C)c2C#N)[nH+]1 ZINC001651627713 1172966992 /nfs/dbraw/zinc/96/69/92/1172966992.db2.gz RNPAHYMVBMPPTD-UHFFFAOYSA-N 1 2 219.273 2.098 20 30 BEEDLO N#Cc1c(F)cccc1NCc1ccc[nH+]c1N ZINC001651860129 1172996021 /nfs/dbraw/zinc/99/60/21/1172996021.db2.gz DEIHCWLWAHENHG-UHFFFAOYSA-N 1 2 242.257 2.287 20 30 BEEDLO C=CC[N@H+](Cc1nc(C)cs1)[C@@H](C)COC ZINC000661239523 410400568 /nfs/dbraw/zinc/40/05/68/410400568.db2.gz HPZDGTIKAZHJKG-NSHDSACASA-N 1 2 240.372 2.474 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C)cs1)[C@@H](C)COC ZINC000661239523 410400578 /nfs/dbraw/zinc/40/05/78/410400578.db2.gz HPZDGTIKAZHJKG-NSHDSACASA-N 1 2 240.372 2.474 20 30 BEEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(C)c1C ZINC000266964423 166167628 /nfs/dbraw/zinc/16/76/28/166167628.db2.gz XXDDAAFOQKZMEP-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(C)c1C ZINC000266964423 166167632 /nfs/dbraw/zinc/16/76/32/166167632.db2.gz XXDDAAFOQKZMEP-UHFFFAOYSA-N 1 2 244.338 2.197 20 30 BEEDLO C#CC[N@@H+](CC)Cc1ncc(C(C)(C)C)o1 ZINC000266936513 166168865 /nfs/dbraw/zinc/16/88/65/166168865.db2.gz PXTJUVFSVMZVNB-UHFFFAOYSA-N 1 2 220.316 2.427 20 30 BEEDLO C#CC[N@H+](CC)Cc1ncc(C(C)(C)C)o1 ZINC000266936513 166168866 /nfs/dbraw/zinc/16/88/66/166168866.db2.gz PXTJUVFSVMZVNB-UHFFFAOYSA-N 1 2 220.316 2.427 20 30 BEEDLO C=CCCCNC(=O)Nc1cc[nH+]cc1C ZINC000279654484 166240492 /nfs/dbraw/zinc/24/04/92/166240492.db2.gz WZUBYGHWUXJHFV-UHFFFAOYSA-N 1 2 219.288 2.478 20 30 BEEDLO C=CCC[N@@H+](C)Cc1ncn(-c2ccccc2)n1 ZINC000276420259 166259676 /nfs/dbraw/zinc/25/96/76/166259676.db2.gz MNXRMTCDWZZPLV-UHFFFAOYSA-N 1 2 242.326 2.275 20 30 BEEDLO C=CCC[N@H+](C)Cc1ncn(-c2ccccc2)n1 ZINC000276420259 166259677 /nfs/dbraw/zinc/25/96/77/166259677.db2.gz MNXRMTCDWZZPLV-UHFFFAOYSA-N 1 2 242.326 2.275 20 30 BEEDLO C=CC[N@@H+](C)[C@H](C(=O)OCC)c1ccccc1 ZINC000275147030 166323323 /nfs/dbraw/zinc/32/33/23/166323323.db2.gz FXBXBRSNFNRJAL-ZDUSSCGKSA-N 1 2 233.311 2.409 20 30 BEEDLO C=CC[N@H+](C)[C@H](C(=O)OCC)c1ccccc1 ZINC000275147030 166323324 /nfs/dbraw/zinc/32/33/24/166323324.db2.gz FXBXBRSNFNRJAL-ZDUSSCGKSA-N 1 2 233.311 2.409 20 30 BEEDLO C=CC[N@@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000171932280 166324126 /nfs/dbraw/zinc/32/41/26/166324126.db2.gz GWOHDPOCJCPMTC-CQSZACIVSA-N 1 2 247.338 2.279 20 30 BEEDLO C=CC[N@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000171932280 166324130 /nfs/dbraw/zinc/32/41/30/166324130.db2.gz GWOHDPOCJCPMTC-CQSZACIVSA-N 1 2 247.338 2.279 20 30 BEEDLO C=CC[N@@H+](Cc1nccc(OC)c1OC)C1CC1 ZINC000276453825 166349567 /nfs/dbraw/zinc/34/95/67/166349567.db2.gz VBJQKOXRDYCPPO-UHFFFAOYSA-N 1 2 248.326 2.249 20 30 BEEDLO C=CC[N@H+](Cc1nccc(OC)c1OC)C1CC1 ZINC000276453825 166349571 /nfs/dbraw/zinc/34/95/71/166349571.db2.gz VBJQKOXRDYCPPO-UHFFFAOYSA-N 1 2 248.326 2.249 20 30 BEEDLO C=CCOCCCNc1cc[nH+]c(C2CC2)n1 ZINC000664386550 410573440 /nfs/dbraw/zinc/57/34/40/410573440.db2.gz QPNPBJRCQVIMPE-UHFFFAOYSA-N 1 2 233.315 2.359 20 30 BEEDLO C#CC[N@@H+](C)Cc1nc(-c2cccc(C)c2)no1 ZINC000192230206 411208816 /nfs/dbraw/zinc/20/88/16/411208816.db2.gz KZXFQTZUSGGNBU-UHFFFAOYSA-N 1 2 241.294 2.110 20 30 BEEDLO C#CC[N@H+](C)Cc1nc(-c2cccc(C)c2)no1 ZINC000192230206 411208818 /nfs/dbraw/zinc/20/88/18/411208818.db2.gz KZXFQTZUSGGNBU-UHFFFAOYSA-N 1 2 241.294 2.110 20 30 BEEDLO CC1=CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000336404361 168100664 /nfs/dbraw/zinc/10/06/64/168100664.db2.gz CFCXNIZLTDQJIH-UHFFFAOYSA-N 1 2 219.313 2.167 20 30 BEEDLO CC1=CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000336404361 168100666 /nfs/dbraw/zinc/10/06/66/168100666.db2.gz CFCXNIZLTDQJIH-UHFFFAOYSA-N 1 2 219.313 2.167 20 30 BEEDLO C=C(C)[C@@H](CO)[N@@H+]1Cc2cccc(F)c2C1 ZINC000657192327 411416831 /nfs/dbraw/zinc/41/68/31/411416831.db2.gz JTPVIHPUZQINDZ-CYBMUJFWSA-N 1 2 221.275 2.078 20 30 BEEDLO C=C(C)[C@@H](CO)[N@H+]1Cc2cccc(F)c2C1 ZINC000657192327 411416833 /nfs/dbraw/zinc/41/68/33/411416833.db2.gz JTPVIHPUZQINDZ-CYBMUJFWSA-N 1 2 221.275 2.078 20 30 BEEDLO C=CC[NH+](CC=C)Cc1nc(C)oc1C ZINC000659839648 411472832 /nfs/dbraw/zinc/47/28/32/411472832.db2.gz YAFWUFHWRUJCHC-UHFFFAOYSA-N 1 2 206.289 2.465 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C)oc1C)C1CC1 ZINC000660170130 411551622 /nfs/dbraw/zinc/55/16/22/411551622.db2.gz OQQXTOBUGDJXKN-UHFFFAOYSA-N 1 2 206.289 2.442 20 30 BEEDLO C=CC[N@H+](Cc1nc(C)oc1C)C1CC1 ZINC000660170130 411551623 /nfs/dbraw/zinc/55/16/23/411551623.db2.gz OQQXTOBUGDJXKN-UHFFFAOYSA-N 1 2 206.289 2.442 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(C)n1 ZINC000662078130 411979667 /nfs/dbraw/zinc/97/96/67/411979667.db2.gz BJPQPQGNBBEIJC-PHIMTYICSA-N 1 2 219.288 2.061 20 30 BEEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(C)n1 ZINC000662078130 411979672 /nfs/dbraw/zinc/97/96/72/411979672.db2.gz BJPQPQGNBBEIJC-PHIMTYICSA-N 1 2 219.288 2.061 20 30 BEEDLO COCC#CC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664821652 412026691 /nfs/dbraw/zinc/02/66/91/412026691.db2.gz FLZUALBVRBBINW-AWEZNQCLSA-N 1 2 244.338 2.114 20 30 BEEDLO COCC#CC[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664821652 412026692 /nfs/dbraw/zinc/02/66/92/412026692.db2.gz FLZUALBVRBBINW-AWEZNQCLSA-N 1 2 244.338 2.114 20 30 BEEDLO COCC#CC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830842 412029566 /nfs/dbraw/zinc/02/95/66/412029566.db2.gz BDXJIXWAKCPSPF-AWEZNQCLSA-N 1 2 244.338 2.114 20 30 BEEDLO COCC#CC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664830842 412029569 /nfs/dbraw/zinc/02/95/69/412029569.db2.gz BDXJIXWAKCPSPF-AWEZNQCLSA-N 1 2 244.338 2.114 20 30 BEEDLO CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662230089 412031872 /nfs/dbraw/zinc/03/18/72/412031872.db2.gz RHSASVLXCGCUFC-MNOVXSKESA-N 1 2 249.276 2.442 20 30 BEEDLO CCC#C[C@@H](C)[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662230089 412031877 /nfs/dbraw/zinc/03/18/77/412031877.db2.gz RHSASVLXCGCUFC-MNOVXSKESA-N 1 2 249.276 2.442 20 30 BEEDLO CC[C@H](CC#N)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000054183846 171419266 /nfs/dbraw/zinc/41/92/66/171419266.db2.gz NCVRQUKCIRBUKO-GFCCVEGCSA-N 1 2 234.347 2.420 20 30 BEEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](F)C1 ZINC000336262719 175051790 /nfs/dbraw/zinc/05/17/90/175051790.db2.gz MLTSNODTDHEBDD-GFCCVEGCSA-N 1 2 234.274 2.111 20 30 BEEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](F)C1 ZINC000336262719 175051792 /nfs/dbraw/zinc/05/17/92/175051792.db2.gz MLTSNODTDHEBDD-GFCCVEGCSA-N 1 2 234.274 2.111 20 30 BEEDLO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000072875118 176108359 /nfs/dbraw/zinc/10/83/59/176108359.db2.gz KEOJKVMXKTWZJG-SECBINFHSA-N 1 2 249.339 2.043 20 30 BEEDLO C[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000072875118 176108361 /nfs/dbraw/zinc/10/83/61/176108361.db2.gz KEOJKVMXKTWZJG-SECBINFHSA-N 1 2 249.339 2.043 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)[C@H](C)CO1 ZINC000122617272 176302507 /nfs/dbraw/zinc/30/25/07/176302507.db2.gz WAWRDAISPPDCQT-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)[C@H](C)CO1 ZINC000122617272 176302509 /nfs/dbraw/zinc/30/25/09/176302509.db2.gz WAWRDAISPPDCQT-NXEZZACHSA-N 1 2 236.340 2.229 20 30 BEEDLO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000176998095 177242435 /nfs/dbraw/zinc/24/24/35/177242435.db2.gz FYOBYPACUDSNHN-LBPRGKRZSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC000176998095 177242437 /nfs/dbraw/zinc/24/24/37/177242437.db2.gz FYOBYPACUDSNHN-LBPRGKRZSA-N 1 2 249.741 2.412 20 30 BEEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)c2F)[C@@H](C)CO1 ZINC000223517479 177263798 /nfs/dbraw/zinc/26/37/98/177263798.db2.gz RGUIVUBEARWDGN-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)[C@@H](C)CO1 ZINC000223517479 177263800 /nfs/dbraw/zinc/26/38/00/177263800.db2.gz RGUIVUBEARWDGN-QWRGUYRKSA-N 1 2 248.301 2.307 20 30 BEEDLO C[C@H]1C[N@H+](Cc2ccccc2C#N)[C@@H](C)CO1 ZINC000221102034 177266766 /nfs/dbraw/zinc/26/67/66/177266766.db2.gz PQKNIMVLHRZBAF-RYUDHWBXSA-N 1 2 230.311 2.167 20 30 BEEDLO C[C@H]1C[N@@H+](Cc2ccccc2C#N)[C@@H](C)CO1 ZINC000221102034 177266767 /nfs/dbraw/zinc/26/67/67/177266767.db2.gz PQKNIMVLHRZBAF-RYUDHWBXSA-N 1 2 230.311 2.167 20 30 BEEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)[C@@H](C)CO1 ZINC000221101979 177302204 /nfs/dbraw/zinc/30/22/04/177302204.db2.gz PQKNIMVLHRZBAF-NWDGAFQWSA-N 1 2 230.311 2.167 20 30 BEEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)[C@@H](C)CO1 ZINC000221101979 177302207 /nfs/dbraw/zinc/30/22/07/177302207.db2.gz PQKNIMVLHRZBAF-NWDGAFQWSA-N 1 2 230.311 2.167 20 30 BEEDLO N#C[C@@]1(F)CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000589513625 487640404 /nfs/dbraw/zinc/64/04/04/487640404.db2.gz LHFNLCVWLDHYDE-HNNXBMFYSA-N 1 2 244.313 2.339 20 30 BEEDLO N#C[C@@]1(F)CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000589513625 487640407 /nfs/dbraw/zinc/64/04/07/487640407.db2.gz LHFNLCVWLDHYDE-HNNXBMFYSA-N 1 2 244.313 2.339 20 30 BEEDLO N#C[C@]1(F)CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC000589513630 487640791 /nfs/dbraw/zinc/64/07/91/487640791.db2.gz LHFNLCVWLDHYDE-OAHLLOKOSA-N 1 2 244.313 2.339 20 30 BEEDLO N#C[C@]1(F)CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000589513630 487640794 /nfs/dbraw/zinc/64/07/94/487640794.db2.gz LHFNLCVWLDHYDE-OAHLLOKOSA-N 1 2 244.313 2.339 20 30 BEEDLO CC#CCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671715681 487704779 /nfs/dbraw/zinc/70/47/79/487704779.db2.gz SSGBDMZFNGGPDM-ZJUUUORDSA-N 1 2 235.249 2.051 20 30 BEEDLO CC#CCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671715681 487704781 /nfs/dbraw/zinc/70/47/81/487704781.db2.gz SSGBDMZFNGGPDM-ZJUUUORDSA-N 1 2 235.249 2.051 20 30 BEEDLO CSCCCN(C)c1cc(C)[nH+]cc1C#N ZINC000399422922 269982718 /nfs/dbraw/zinc/98/27/18/269982718.db2.gz FZLMXWRHOKWVOD-UHFFFAOYSA-N 1 2 235.356 2.451 20 30 BEEDLO C=CC[C@@H](CC)Nc1nc[nH+]c2c1OCCN2 ZINC000665716893 487738900 /nfs/dbraw/zinc/73/89/00/487738900.db2.gz RHNHVWDBWXTALQ-SECBINFHSA-N 1 2 234.303 2.048 20 30 BEEDLO C=CC[C@@H](CC)Nc1[nH+]cnc2c1OCCN2 ZINC000665716893 487738906 /nfs/dbraw/zinc/73/89/06/487738906.db2.gz RHNHVWDBWXTALQ-SECBINFHSA-N 1 2 234.303 2.048 20 30 BEEDLO C[C@]12CC[N@@H+](CCC#N)C[C@H]1C2(Cl)Cl ZINC000792903428 586006745 /nfs/dbraw/zinc/00/67/45/586006745.db2.gz KOOWJPXVLCCALI-BDAKNGLRSA-N 1 2 233.142 2.416 20 30 BEEDLO C=CCCn1cc(C[NH+](CC=C)CC=C)nn1 ZINC000653493283 487926704 /nfs/dbraw/zinc/92/67/04/487926704.db2.gz QPYWKYGYQPKXDE-UHFFFAOYSA-N 1 2 232.331 2.028 20 30 BEEDLO C=C[C@](C)(CC)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000682362803 487938988 /nfs/dbraw/zinc/93/89/88/487938988.db2.gz UCDITACKOCXHPR-CQSZACIVSA-N 1 2 247.342 2.136 20 30 BEEDLO C=CCCN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000682417011 487953405 /nfs/dbraw/zinc/95/34/05/487953405.db2.gz AUJZBMLKBSQJLZ-UHFFFAOYSA-N 1 2 233.315 2.160 20 30 BEEDLO C=C(C)CN(CC)C(=O)/C=C/c1[nH+]ccn1CC ZINC000158692496 323016878 /nfs/dbraw/zinc/01/68/78/323016878.db2.gz OMMPISTUKCWNFM-BQYQJAHWSA-N 1 2 247.342 2.341 20 30 BEEDLO Cc1nc([C@@H](C)[NH+]2CCC(CC#N)CC2)no1 ZINC000562906643 323033313 /nfs/dbraw/zinc/03/33/13/323033313.db2.gz WHMOYDODNVOMDS-SECBINFHSA-N 1 2 234.303 2.065 20 30 BEEDLO CCc1nc(C[NH+]2CCC(CCC#N)CC2)no1 ZINC000570567191 323063351 /nfs/dbraw/zinc/06/33/51/323063351.db2.gz XEAVPFFORUWQAW-UHFFFAOYSA-N 1 2 248.330 2.148 20 30 BEEDLO Cc1cc(NCC2(CC#N)CC2)nc(C2CC2)[nH+]1 ZINC000571018431 323103649 /nfs/dbraw/zinc/10/36/49/323103649.db2.gz RXTISVWOBQDVNR-UHFFFAOYSA-N 1 2 242.326 2.190 20 30 BEEDLO N#CCC[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000571434070 323144789 /nfs/dbraw/zinc/14/47/89/323144789.db2.gz SBJCDQIZTTXELR-UHFFFAOYSA-N 1 2 240.310 2.374 20 30 BEEDLO CCC#C[C@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000677047051 487957646 /nfs/dbraw/zinc/95/76/46/487957646.db2.gz PWOKKQYOIILFLT-LBPRGKRZSA-N 1 2 249.383 2.067 20 30 BEEDLO C[N@@H+](CCC#N)CCOc1cccc(F)c1 ZINC000051423485 323189013 /nfs/dbraw/zinc/18/90/13/323189013.db2.gz BMEFEYTTWAUWEH-UHFFFAOYSA-N 1 2 222.263 2.050 20 30 BEEDLO C[N@H+](CCC#N)CCOc1cccc(F)c1 ZINC000051423485 323189014 /nfs/dbraw/zinc/18/90/14/323189014.db2.gz BMEFEYTTWAUWEH-UHFFFAOYSA-N 1 2 222.263 2.050 20 30 BEEDLO N#C[C@@]1(F)CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000615651371 487958318 /nfs/dbraw/zinc/95/83/18/487958318.db2.gz IHFHUUADHDSNDC-NEPJUHHUSA-N 1 2 208.280 2.280 20 30 BEEDLO N#C[C@@]1(F)CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000615651371 487958321 /nfs/dbraw/zinc/95/83/21/487958321.db2.gz IHFHUUADHDSNDC-NEPJUHHUSA-N 1 2 208.280 2.280 20 30 BEEDLO C=CCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000572177781 323559196 /nfs/dbraw/zinc/55/91/96/323559196.db2.gz BWXMFKZSJCQAPR-UHFFFAOYSA-N 1 2 243.310 2.339 20 30 BEEDLO CCCc1ncc(C[NH2+]C[C@H](C#N)CCC#N)o1 ZINC000517732760 324176534 /nfs/dbraw/zinc/17/65/34/324176534.db2.gz LGIOXXVHGITXPS-NSHDSACASA-N 1 2 246.314 2.160 20 30 BEEDLO C=C(C)C[C@@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000546645593 325297716 /nfs/dbraw/zinc/29/77/16/325297716.db2.gz ISARSKTYPGWHRD-CYBMUJFWSA-N 1 2 249.358 2.382 20 30 BEEDLO C=CCCCCCNc1cc(C)[nH+]cn1 ZINC000565224753 325880604 /nfs/dbraw/zinc/88/06/04/325880604.db2.gz KTOXQZPDEROMQL-UHFFFAOYSA-N 1 2 205.305 2.365 20 30 BEEDLO C=CC[C@H](CC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566305748 326031659 /nfs/dbraw/zinc/03/16/59/326031659.db2.gz VWQGZETTXOQGCB-RYUDHWBXSA-N 1 2 235.331 2.305 20 30 BEEDLO CC1(C#N)C[NH+](C[C@H]2CCCC2(F)F)C1 ZINC000566416316 326042631 /nfs/dbraw/zinc/04/26/31/326042631.db2.gz GNDWVIRCMWRKAE-SECBINFHSA-N 1 2 214.259 2.267 20 30 BEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C ZINC000566428833 326045545 /nfs/dbraw/zinc/04/55/45/326045545.db2.gz KYGIWTJGFDTBTI-LBPRGKRZSA-N 1 2 245.326 2.215 20 30 BEEDLO COc1cccc(OCC[N@H+](C)[C@H](C)CC#N)c1 ZINC000155551562 326200839 /nfs/dbraw/zinc/20/08/39/326200839.db2.gz VEXBWKJMKJISDA-GFCCVEGCSA-N 1 2 248.326 2.308 20 30 BEEDLO COc1cccc(OCC[N@@H+](C)[C@H](C)CC#N)c1 ZINC000155551562 326200841 /nfs/dbraw/zinc/20/08/41/326200841.db2.gz VEXBWKJMKJISDA-GFCCVEGCSA-N 1 2 248.326 2.308 20 30 BEEDLO C#CC[N@H+](Cc1ccon1)C1CCCC1 ZINC000155927203 326214830 /nfs/dbraw/zinc/21/48/30/326214830.db2.gz JBBKPKPTKDEZET-UHFFFAOYSA-N 1 2 204.273 2.052 20 30 BEEDLO C#CC[N@@H+](Cc1ccon1)C1CCCC1 ZINC000155927203 326214832 /nfs/dbraw/zinc/21/48/32/326214832.db2.gz JBBKPKPTKDEZET-UHFFFAOYSA-N 1 2 204.273 2.052 20 30 BEEDLO COCc1ccc(C[N@H+](C)CCC#N)cc1 ZINC000157782223 326295409 /nfs/dbraw/zinc/29/54/09/326295409.db2.gz ZWSGBXGKHORZLV-UHFFFAOYSA-N 1 2 218.300 2.178 20 30 BEEDLO COCc1ccc(C[N@@H+](C)CCC#N)cc1 ZINC000157782223 326295411 /nfs/dbraw/zinc/29/54/11/326295411.db2.gz ZWSGBXGKHORZLV-UHFFFAOYSA-N 1 2 218.300 2.178 20 30 BEEDLO C=CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000568188313 326323030 /nfs/dbraw/zinc/32/30/30/326323030.db2.gz BTPDFRJRJSJQRW-NSHDSACASA-N 1 2 247.342 2.013 20 30 BEEDLO C=CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000568188313 326323031 /nfs/dbraw/zinc/32/30/31/326323031.db2.gz BTPDFRJRJSJQRW-NSHDSACASA-N 1 2 247.342 2.013 20 30 BEEDLO Cc1cc(N2CCOCC2)ccc1[NH2+]CCC#N ZINC000569096078 326389619 /nfs/dbraw/zinc/38/96/19/326389619.db2.gz STYHXMSQQYTATJ-UHFFFAOYSA-N 1 2 245.326 2.157 20 30 BEEDLO C=CC1CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000573106639 326430139 /nfs/dbraw/zinc/43/01/39/326430139.db2.gz MHHHWWPCHYWWQH-UHFFFAOYSA-N 1 2 217.316 2.496 20 30 BEEDLO C=CCCC[C@@H](C)[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682548637 487985872 /nfs/dbraw/zinc/98/58/72/487985872.db2.gz YUNXYFYELFKBGY-GHMZBOCLSA-N 1 2 233.302 2.433 20 30 BEEDLO C=CCCC[C@@H](C)[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682548637 487985880 /nfs/dbraw/zinc/98/58/80/487985880.db2.gz YUNXYFYELFKBGY-GHMZBOCLSA-N 1 2 233.302 2.433 20 30 BEEDLO C[C@@H]([NH2+]CC(F)F)c1cccc(C#N)c1 ZINC000147396505 488013532 /nfs/dbraw/zinc/01/35/32/488013532.db2.gz CNWBNNDMYILWHX-MRVPVSSYSA-N 1 2 210.227 2.474 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cnc2n1CCC2 ZINC000667472359 488019077 /nfs/dbraw/zinc/01/90/77/488019077.db2.gz DUCIGBWESMGVTK-UHFFFAOYSA-N 1 2 217.316 2.003 20 30 BEEDLO C=CCN(CC=C)Cc1c[nH+]c2n1CCC2 ZINC000667472359 488019081 /nfs/dbraw/zinc/01/90/81/488019081.db2.gz DUCIGBWESMGVTK-UHFFFAOYSA-N 1 2 217.316 2.003 20 30 BEEDLO C[C@@H]1C[C@@H]1C[N@H+](CCC#N)Cc1ccccn1 ZINC000488342423 533716209 /nfs/dbraw/zinc/71/62/09/533716209.db2.gz XCUZSWKXRRLGGF-CHWSQXEVSA-N 1 2 229.327 2.453 20 30 BEEDLO C[C@@H]1C[C@@H]1C[N@@H+](CCC#N)Cc1ccccn1 ZINC000488342423 533716229 /nfs/dbraw/zinc/71/62/29/533716229.db2.gz XCUZSWKXRRLGGF-CHWSQXEVSA-N 1 2 229.327 2.453 20 30 BEEDLO COCC#CC[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000677817213 488129796 /nfs/dbraw/zinc/12/97/96/488129796.db2.gz IYDQNOZNLRTNET-LBPRGKRZSA-N 1 2 247.313 2.395 20 30 BEEDLO COCC#CC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000677817213 488129799 /nfs/dbraw/zinc/12/97/99/488129799.db2.gz IYDQNOZNLRTNET-LBPRGKRZSA-N 1 2 247.313 2.395 20 30 BEEDLO COCC#CCn1c[nH+]c2cc(C)c(C)cc21 ZINC000677888185 488148660 /nfs/dbraw/zinc/14/86/60/488148660.db2.gz RYZKHWNSXORKIT-UHFFFAOYSA-N 1 2 228.295 2.303 20 30 BEEDLO COCC#CC[N@H+](C)Cc1cc(C)ccc1F ZINC000683526892 488186556 /nfs/dbraw/zinc/18/65/56/488186556.db2.gz NPUIMGNJWGZBOH-UHFFFAOYSA-N 1 2 235.302 2.216 20 30 BEEDLO COCC#CC[N@@H+](C)Cc1cc(C)ccc1F ZINC000683526892 488186558 /nfs/dbraw/zinc/18/65/58/488186558.db2.gz NPUIMGNJWGZBOH-UHFFFAOYSA-N 1 2 235.302 2.216 20 30 BEEDLO C=CC[C@H](CO)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000678718570 488278587 /nfs/dbraw/zinc/27/85/87/488278587.db2.gz DZXISTAYRNRYOD-NSHDSACASA-N 1 2 249.358 2.371 20 30 BEEDLO C=CCOCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000679471268 488353301 /nfs/dbraw/zinc/35/33/01/488353301.db2.gz CMMKEBJONJMBMF-UHFFFAOYSA-N 1 2 233.315 2.277 20 30 BEEDLO Cc1cc(OCc2c[nH+]cn2C)ccc1C#N ZINC000335815672 491125416 /nfs/dbraw/zinc/12/54/16/491125416.db2.gz JBADSNJVXMFMTD-UHFFFAOYSA-N 1 2 227.267 2.179 20 30 BEEDLO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C(C)(C)C#N)CC1 ZINC001172768705 974937244 /nfs/dbraw/zinc/93/72/44/974937244.db2.gz WPCAPTBQVBZZQM-GHMZBOCLSA-N 1 2 238.331 2.000 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000369374318 534442597 /nfs/dbraw/zinc/44/25/97/534442597.db2.gz ISPOJCJIKQNZJU-QJPTWQEYSA-N 1 2 245.750 2.007 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000369374318 534442602 /nfs/dbraw/zinc/44/26/02/534442602.db2.gz ISPOJCJIKQNZJU-QJPTWQEYSA-N 1 2 245.750 2.007 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000366375647 534443253 /nfs/dbraw/zinc/44/32/53/534443253.db2.gz KVSVWKWLJVHONY-GXSJLCMTSA-N 1 2 215.724 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000366375647 534443260 /nfs/dbraw/zinc/44/32/60/534443260.db2.gz KVSVWKWLJVHONY-GXSJLCMTSA-N 1 2 215.724 2.238 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000369374321 534443289 /nfs/dbraw/zinc/44/32/89/534443289.db2.gz ISPOJCJIKQNZJU-SDDRHHMPSA-N 1 2 245.750 2.007 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000369374321 534443295 /nfs/dbraw/zinc/44/32/95/534443295.db2.gz ISPOJCJIKQNZJU-SDDRHHMPSA-N 1 2 245.750 2.007 20 30 BEEDLO C=C[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000120807495 534493631 /nfs/dbraw/zinc/49/36/31/534493631.db2.gz FFSNVRKKFBBOMR-SECBINFHSA-N 1 2 205.261 2.086 20 30 BEEDLO C=CC1CC[NH+](Cc2nn(C)cc2Cl)CC1 ZINC000335548598 534530650 /nfs/dbraw/zinc/53/06/50/534530650.db2.gz PKLIUYJGGYZLCK-UHFFFAOYSA-N 1 2 239.750 2.472 20 30 BEEDLO C=CCCCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341684539 534666816 /nfs/dbraw/zinc/66/68/16/534666816.db2.gz BUANWHWHSXNNSR-ZDUSSCGKSA-N 1 2 247.342 2.344 20 30 BEEDLO C=CCCN(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353330830 534766658 /nfs/dbraw/zinc/76/66/58/534766658.db2.gz ONQGGVZMXSGHKC-UHFFFAOYSA-N 1 2 244.298 2.374 20 30 BEEDLO C=CCOCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000339123029 534879169 /nfs/dbraw/zinc/87/91/69/534879169.db2.gz DRQWLVCSMLQQKS-SNVBAGLBSA-N 1 2 219.275 2.166 20 30 BEEDLO C=CCOCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000339123029 534879171 /nfs/dbraw/zinc/87/91/71/534879171.db2.gz DRQWLVCSMLQQKS-SNVBAGLBSA-N 1 2 219.275 2.166 20 30 BEEDLO C=CC[C@@H](CO)CNc1ccc2ccccc2[nH+]1 ZINC000340906579 534888588 /nfs/dbraw/zinc/88/85/88/534888588.db2.gz ZUWKJQKQGGRLFA-GFCCVEGCSA-N 1 2 242.322 2.253 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1sc(C)nc1C ZINC000490676611 526865407 /nfs/dbraw/zinc/86/54/07/526865407.db2.gz IJCFPOLZUHYAKP-UHFFFAOYSA-N 1 2 232.352 2.218 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1sc(C)nc1C ZINC000490676611 526865410 /nfs/dbraw/zinc/86/54/10/526865410.db2.gz IJCFPOLZUHYAKP-UHFFFAOYSA-N 1 2 232.352 2.218 20 30 BEEDLO C#C[C@@H](C)[N@@H+](C)Cc1ncc(CC)s1 ZINC000491373530 527213830 /nfs/dbraw/zinc/21/38/30/527213830.db2.gz NIOPFZVRQWWWIM-SECBINFHSA-N 1 2 208.330 2.159 20 30 BEEDLO C#C[C@@H](C)[N@H+](C)Cc1ncc(CC)s1 ZINC000491373530 527213836 /nfs/dbraw/zinc/21/38/36/527213836.db2.gz NIOPFZVRQWWWIM-SECBINFHSA-N 1 2 208.330 2.159 20 30 BEEDLO CC1(C/[NH+]=C/c2cccc(O)c2O)CCOCC1 ZINC000267783991 535099229 /nfs/dbraw/zinc/09/92/29/535099229.db2.gz OGTUFPQOYYXGQE-OQLLNIDSSA-N 1 2 249.310 2.333 20 30 BEEDLO CCC[C@H](C)C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000378442936 535609638 /nfs/dbraw/zinc/60/96/38/535609638.db2.gz LQTKHWJPBBGJTD-JSGCOSHPSA-N 1 2 235.375 2.095 20 30 BEEDLO CCC[C@H](C)C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000378442936 535609640 /nfs/dbraw/zinc/60/96/40/535609640.db2.gz LQTKHWJPBBGJTD-JSGCOSHPSA-N 1 2 235.375 2.095 20 30 BEEDLO CC[C@@H]1C[C@H](C[N@H+](CC#N)C2CC2)CCO1 ZINC000356971810 535896841 /nfs/dbraw/zinc/89/68/41/535896841.db2.gz AQWCLEZJDJYIOY-DGCLKSJQSA-N 1 2 222.332 2.180 20 30 BEEDLO CC[C@@H]1C[C@H](C[N@@H+](CC#N)C2CC2)CCO1 ZINC000356971810 535896843 /nfs/dbraw/zinc/89/68/43/535896843.db2.gz AQWCLEZJDJYIOY-DGCLKSJQSA-N 1 2 222.332 2.180 20 30 BEEDLO CCc1cc(N)nc(S[C@@H]2CC[C@H](C#N)C2)[nH+]1 ZINC000295314078 536142825 /nfs/dbraw/zinc/14/28/25/536142825.db2.gz LBPSYUPWGYLPLN-WCBMZHEXSA-N 1 2 248.355 2.406 20 30 BEEDLO CCc1cc(N)nc(S[C@H](C)CCC#N)[nH+]1 ZINC000279037087 536143724 /nfs/dbraw/zinc/14/37/24/536143724.db2.gz FOFFNDJZPUXRLE-MRVPVSSYSA-N 1 2 236.344 2.406 20 30 BEEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1C#N ZINC000234800850 536747210 /nfs/dbraw/zinc/74/72/10/536747210.db2.gz ZEVAGNFGUKGDLH-LLVKDONJSA-N 1 2 243.310 2.158 20 30 BEEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1C#N ZINC000234800850 536747212 /nfs/dbraw/zinc/74/72/12/536747212.db2.gz ZEVAGNFGUKGDLH-LLVKDONJSA-N 1 2 243.310 2.158 20 30 BEEDLO COc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000338388289 536857174 /nfs/dbraw/zinc/85/71/74/536857174.db2.gz VXKRRDUQFZMLCV-NSHDSACASA-N 1 2 245.326 2.214 20 30 BEEDLO COc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cn1 ZINC000338388289 536857182 /nfs/dbraw/zinc/85/71/82/536857182.db2.gz VXKRRDUQFZMLCV-NSHDSACASA-N 1 2 245.326 2.214 20 30 BEEDLO COc1cccc2c1CC[N@H+](CC1(C#N)CC1)C2 ZINC000334538427 536941940 /nfs/dbraw/zinc/94/19/40/536941940.db2.gz IMZXRZNZHDTOSP-UHFFFAOYSA-N 1 2 242.322 2.357 20 30 BEEDLO COc1cccc2c1CC[N@@H+](CC1(C#N)CC1)C2 ZINC000334538427 536941942 /nfs/dbraw/zinc/94/19/42/536941942.db2.gz IMZXRZNZHDTOSP-UHFFFAOYSA-N 1 2 242.322 2.357 20 30 BEEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000893994354 583267597 /nfs/dbraw/zinc/26/75/97/583267597.db2.gz DQHQEHHGVNXTRM-MRVPVSSYSA-N 1 2 240.253 2.262 20 30 BEEDLO N#CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894082006 583294086 /nfs/dbraw/zinc/29/40/86/583294086.db2.gz NDEVVIFHLRFZTJ-UHFFFAOYSA-N 1 2 239.662 2.251 20 30 BEEDLO CC1(C)OCC[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000852998620 588714920 /nfs/dbraw/zinc/71/49/20/588714920.db2.gz PWPGPMNWXLGURX-UXYFDLPDSA-N 1 2 249.310 2.332 20 30 BEEDLO Cc1[nH+]cc(C=NOC2CCCC2)n1C ZINC000853327855 588732715 /nfs/dbraw/zinc/73/27/15/588732715.db2.gz DOHNXGUJHFGHKA-UHFFFAOYSA-N 1 2 207.277 2.022 20 30 BEEDLO C1CC12CCCC2N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000853325506 588732993 /nfs/dbraw/zinc/73/29/93/588732993.db2.gz WFTITIZPRWYWPQ-GHMZBOCLSA-N 1 2 246.358 2.167 20 30 BEEDLO CC(C)n1cc[nH+]c1CN=Nc1cccc(F)n1 ZINC000853344977 588735801 /nfs/dbraw/zinc/73/58/01/588735801.db2.gz YJYCUEVTNXQZDR-UHFFFAOYSA-N 1 2 247.277 2.444 20 30 BEEDLO FC(F)(F)[C@@H]1CCC[C@@H](C=[NH+]n2ccnn2)C1 ZINC000853355107 588737395 /nfs/dbraw/zinc/73/73/95/588737395.db2.gz GTGBTQZEKTYTID-RKDXNWHRSA-N 1 2 246.236 2.481 20 30 BEEDLO N#CC[C@H]1CCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000853525829 588747755 /nfs/dbraw/zinc/74/77/55/588747755.db2.gz IQKXTEQZPBTZDQ-SNVBAGLBSA-N 1 2 238.722 2.120 20 30 BEEDLO N#CC[C@H]1CCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000853525829 588747756 /nfs/dbraw/zinc/74/77/56/588747756.db2.gz IQKXTEQZPBTZDQ-SNVBAGLBSA-N 1 2 238.722 2.120 20 30 BEEDLO C=C(Cl)CO[NH+]=C(N)COC(C)(C)C ZINC000853688048 588756625 /nfs/dbraw/zinc/75/66/25/588756625.db2.gz DCJRYUCMOMGQEL-UHFFFAOYSA-N 1 2 220.700 2.052 20 30 BEEDLO Cc1ccc(CON=C[C@@H]2CCCO2)c(C)[nH+]1 ZINC000853752308 588761769 /nfs/dbraw/zinc/76/17/69/588761769.db2.gz TXSXSKJYGKIGRE-ZDUSSCGKSA-N 1 2 234.299 2.380 20 30 BEEDLO CCn1cc(C[N@H+](CC)C[C@H](C)C#N)c(C)n1 ZINC000891715240 582712050 /nfs/dbraw/zinc/71/20/50/582712050.db2.gz BKLJKIMVAOTZGB-LLVKDONJSA-N 1 2 234.347 2.193 20 30 BEEDLO CCn1cc(C[N@@H+](CC)C[C@H](C)C#N)c(C)n1 ZINC000891715240 582712052 /nfs/dbraw/zinc/71/20/52/582712052.db2.gz BKLJKIMVAOTZGB-LLVKDONJSA-N 1 2 234.347 2.193 20 30 BEEDLO Cc1cc(F)ncc1C[N@@H+](C)[C@H](C)CC#N ZINC000891933094 582739650 /nfs/dbraw/zinc/73/96/50/582739650.db2.gz ASFOWQZLCHXXFU-SNVBAGLBSA-N 1 2 221.279 2.263 20 30 BEEDLO Cc1cc(F)ncc1C[N@H+](C)[C@H](C)CC#N ZINC000891933094 582739652 /nfs/dbraw/zinc/73/96/52/582739652.db2.gz ASFOWQZLCHXXFU-SNVBAGLBSA-N 1 2 221.279 2.263 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(OCC)o1 ZINC000892068272 582783685 /nfs/dbraw/zinc/78/36/85/582783685.db2.gz JBLRMWWTGZXZPB-UHFFFAOYSA-N 1 2 231.295 2.137 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OCC)o1 ZINC000892068272 582783688 /nfs/dbraw/zinc/78/36/88/582783688.db2.gz JBLRMWWTGZXZPB-UHFFFAOYSA-N 1 2 231.295 2.137 20 30 BEEDLO C#CCCCCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856281871 588867252 /nfs/dbraw/zinc/86/72/52/588867252.db2.gz SXJRSKGPVKLUMM-LBPRGKRZSA-N 1 2 247.342 2.181 20 30 BEEDLO C[C@@H](O)c1cccc(N2CCC(CC#N)CC2)[nH+]1 ZINC000893118928 583052205 /nfs/dbraw/zinc/05/22/05/583052205.db2.gz NNDRHOZPAMZVFT-LLVKDONJSA-N 1 2 245.326 2.265 20 30 BEEDLO C[C@H](O)c1cccc(N2CCC(CC#N)CC2)[nH+]1 ZINC000893118929 583052238 /nfs/dbraw/zinc/05/22/38/583052238.db2.gz NNDRHOZPAMZVFT-NSHDSACASA-N 1 2 245.326 2.265 20 30 BEEDLO Cc1ncc(CO)c(/C=[NH+]\CC2CC(C)C2)c1O ZINC000856718420 588875207 /nfs/dbraw/zinc/87/52/07/588875207.db2.gz LKTITVYOFFYRLQ-CHHVJCJISA-N 1 2 248.326 2.053 20 30 BEEDLO C=C(Cl)C[NH2+]Cc1ccc(OCCOC)o1 ZINC000893349863 583118379 /nfs/dbraw/zinc/11/83/79/583118379.db2.gz BRPXPCUFSGBKIG-UHFFFAOYSA-N 1 2 245.706 2.147 20 30 BEEDLO C[C@H](C#N)C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000893994354 583267596 /nfs/dbraw/zinc/26/75/96/583267596.db2.gz DQHQEHHGVNXTRM-MRVPVSSYSA-N 1 2 240.253 2.262 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1cc(C)co1 ZINC000894033112 583277580 /nfs/dbraw/zinc/27/75/80/583277580.db2.gz ACWZVHZUNSMCSB-UHFFFAOYSA-N 1 2 201.269 2.047 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1cc(C)co1 ZINC000894033112 583277581 /nfs/dbraw/zinc/27/75/81/583277581.db2.gz ACWZVHZUNSMCSB-UHFFFAOYSA-N 1 2 201.269 2.047 20 30 BEEDLO CO[C@H](C)CC/[NH+]=C/c1ccccc1O ZINC000726429862 583354230 /nfs/dbraw/zinc/35/42/30/583354230.db2.gz SREKCTFFVROOKX-QQMDNXKGSA-N 1 2 207.273 2.236 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/CC[C@@H](C)OC)c1 ZINC000726430454 583354431 /nfs/dbraw/zinc/35/44/31/583354431.db2.gz ZKHARKSXUVSDDF-GMROUXNLSA-N 1 2 237.299 2.245 20 30 BEEDLO C#CC[N@H+](Cc1ccc(C#N)s1)C1CSC1 ZINC000878910092 583411429 /nfs/dbraw/zinc/41/14/29/583411429.db2.gz HJRQDMMMQHLRTH-UHFFFAOYSA-N 1 2 248.376 2.170 20 30 BEEDLO C#CC[N@@H+](Cc1ccc(C#N)s1)C1CSC1 ZINC000878910092 583411430 /nfs/dbraw/zinc/41/14/30/583411430.db2.gz HJRQDMMMQHLRTH-UHFFFAOYSA-N 1 2 248.376 2.170 20 30 BEEDLO C#CC1CCN(c2cc(CC)[nH+]c(CC)n2)CC1 ZINC000894355857 583435118 /nfs/dbraw/zinc/43/51/18/583435118.db2.gz IRMHPSVAWABZHU-UHFFFAOYSA-N 1 2 243.354 2.451 20 30 BEEDLO Cc1cc[nH+]c(N)c1CN1CCC[C@@](C)(C#N)C1 ZINC000894443031 583459852 /nfs/dbraw/zinc/45/98/52/583459852.db2.gz BIBMRUIPTPHXSS-AWEZNQCLSA-N 1 2 244.342 2.098 20 30 BEEDLO Cc1ccnc(N)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000894443031 583459856 /nfs/dbraw/zinc/45/98/56/583459856.db2.gz BIBMRUIPTPHXSS-AWEZNQCLSA-N 1 2 244.342 2.098 20 30 BEEDLO Cc1ccnc(N)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000894443031 583459857 /nfs/dbraw/zinc/45/98/57/583459857.db2.gz BIBMRUIPTPHXSS-AWEZNQCLSA-N 1 2 244.342 2.098 20 30 BEEDLO C=CC(C)(C)CC(=O)NCc1c[nH+]ccc1OC ZINC000880102410 583465411 /nfs/dbraw/zinc/46/54/11/583465411.db2.gz ADBVTUHSXPLFRJ-UHFFFAOYSA-N 1 2 248.326 2.309 20 30 BEEDLO C[C@H](O)c1cccc(N2CCC[C@@H](CC#N)C2)[nH+]1 ZINC000894487562 583471435 /nfs/dbraw/zinc/47/14/35/583471435.db2.gz UUUWHBQTNIVCHO-RYUDHWBXSA-N 1 2 245.326 2.265 20 30 BEEDLO C=CC[C@H]1CCCN(c2cc(NC)[nH+]cn2)C1 ZINC000894523555 583477381 /nfs/dbraw/zinc/47/73/81/583477381.db2.gz ZNEZHBMIJTTYBW-NSHDSACASA-N 1 2 232.331 2.311 20 30 BEEDLO C=CC[C@H]1CCCN(c2cc(NC)nc[nH+]2)C1 ZINC000894523555 583477383 /nfs/dbraw/zinc/47/73/83/583477383.db2.gz ZNEZHBMIJTTYBW-NSHDSACASA-N 1 2 232.331 2.311 20 30 BEEDLO C=CC[C@@H]1CCCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000894523327 583477971 /nfs/dbraw/zinc/47/79/71/583477971.db2.gz WCVBZUPEWOUXLB-GFCCVEGCSA-N 1 2 246.358 2.335 20 30 BEEDLO C=CC[C@@H]1CCCN(c2cc(N(C)C)nc[nH+]2)C1 ZINC000894523327 583477972 /nfs/dbraw/zinc/47/79/72/583477972.db2.gz WCVBZUPEWOUXLB-GFCCVEGCSA-N 1 2 246.358 2.335 20 30 BEEDLO C#CC[C@H](COC)Nc1cc(CC)[nH+]c(CC)n1 ZINC000894831146 583527581 /nfs/dbraw/zinc/52/75/81/583527581.db2.gz ZVJONPNYNDEJGP-GFCCVEGCSA-N 1 2 247.342 2.052 20 30 BEEDLO COCC1(C)C[NH+](Cc2csc(C#N)c2)C1 ZINC000894839691 583529660 /nfs/dbraw/zinc/52/96/60/583529660.db2.gz GXGMVCALWGYRFU-UHFFFAOYSA-N 1 2 236.340 2.088 20 30 BEEDLO CCn1ccc(C[NH2+]CC#Cc2ccccc2)n1 ZINC000894897192 583551033 /nfs/dbraw/zinc/55/10/33/583551033.db2.gz YYNKXLPDAHWNSN-UHFFFAOYSA-N 1 2 239.322 2.044 20 30 BEEDLO COc1ccc(C[NH2+]CC2(C#N)CCC2)o1 ZINC000894966773 583560128 /nfs/dbraw/zinc/56/01/28/583560128.db2.gz NXKJYRNVSFWKDP-UHFFFAOYSA-N 1 2 220.272 2.072 20 30 BEEDLO C#C[C@H]1CC[C@H](Nc2cc(NC)nc[nH+]2)CC1 ZINC000895091315 583586961 /nfs/dbraw/zinc/58/69/61/583586961.db2.gz DHNPNPWSXRYLTC-XYPYZODXSA-N 1 2 230.315 2.122 20 30 BEEDLO C[C@H](CCC#N)C[N@@H+]1CC[C@@H]1C(F)F ZINC000895433162 583672126 /nfs/dbraw/zinc/67/21/26/583672126.db2.gz UEGVWIMDYFCMRK-RKDXNWHRSA-N 1 2 202.248 2.266 20 30 BEEDLO C[C@H](CCC#N)C[N@H+]1CC[C@@H]1C(F)F ZINC000895433162 583672127 /nfs/dbraw/zinc/67/21/27/583672127.db2.gz UEGVWIMDYFCMRK-RKDXNWHRSA-N 1 2 202.248 2.266 20 30 BEEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)o1 ZINC000895450313 583676078 /nfs/dbraw/zinc/67/60/78/583676078.db2.gz FPRJFCMIRRWMPO-GFCCVEGCSA-N 1 2 220.272 2.024 20 30 BEEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)o1 ZINC000895450313 583676080 /nfs/dbraw/zinc/67/60/80/583676080.db2.gz FPRJFCMIRRWMPO-GFCCVEGCSA-N 1 2 220.272 2.024 20 30 BEEDLO C#CC1([NH2+]Cc2ncc(C)o2)CCCC1 ZINC000895678197 583704585 /nfs/dbraw/zinc/70/45/85/583704585.db2.gz WVAKVFRFGXNORY-UHFFFAOYSA-N 1 2 204.273 2.019 20 30 BEEDLO C#CC[N@H+](Cc1cc(C#N)cs1)C1CSC1 ZINC000895814750 583734305 /nfs/dbraw/zinc/73/43/05/583734305.db2.gz YECRKOUPKJUGED-UHFFFAOYSA-N 1 2 248.376 2.170 20 30 BEEDLO C#CC[N@@H+](Cc1cc(C#N)cs1)C1CSC1 ZINC000895814750 583734307 /nfs/dbraw/zinc/73/43/07/583734307.db2.gz YECRKOUPKJUGED-UHFFFAOYSA-N 1 2 248.376 2.170 20 30 BEEDLO Cc1cc(N(C)Cc2cc(C#N)cs2)nc[nH+]1 ZINC000896920511 583856544 /nfs/dbraw/zinc/85/65/44/583856544.db2.gz IUQKLZNWQYJGAH-UHFFFAOYSA-N 1 2 244.323 2.355 20 30 BEEDLO Oc1ccc(/C=[NH+]/C[C@@H]2C[C@H]2C2CC2)c(O)c1O ZINC000840710090 583862254 /nfs/dbraw/zinc/86/22/54/583862254.db2.gz OWFDZRCQMRTHKA-UKEOCHLASA-N 1 2 247.294 2.268 20 30 BEEDLO Cc1[nH+]cnc(NCC#C[C@@H]2CCCCO2)c1C ZINC000897455389 583987761 /nfs/dbraw/zinc/98/77/61/583987761.db2.gz QYOQAZIYCBHCJY-ZDUSSCGKSA-N 1 2 245.326 2.078 20 30 BEEDLO C=C1CCC(C(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC000898811107 584160305 /nfs/dbraw/zinc/16/03/05/584160305.db2.gz RGOLLRZDYKEAOU-LBPRGKRZSA-N 1 2 245.326 2.191 20 30 BEEDLO CCn1c[nH+]c(/C=C/C(=O)c2cnn(CC)c2)c1 ZINC000899350529 584204038 /nfs/dbraw/zinc/20/40/38/584204038.db2.gz HBAVGQYYDNUHMC-AATRIKPKSA-N 1 2 244.298 2.016 20 30 BEEDLO C=C1C[NH+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000899900042 584248865 /nfs/dbraw/zinc/24/88/65/584248865.db2.gz HBBDMEBHNGVYJA-LBPRGKRZSA-N 1 2 223.703 2.245 20 30 BEEDLO CCN[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000901278390 584413682 /nfs/dbraw/zinc/41/36/82/584413682.db2.gz QTKPMNCXGNMSCT-UHFFFAOYSA-N 1 2 221.304 2.213 20 30 BEEDLO C[C@H]1CC[C@H](C=[NH+]n2nnc3c2CCCC3)C1 ZINC000901331439 584424898 /nfs/dbraw/zinc/42/48/98/584424898.db2.gz NZDHVDWIJAROJW-QWRGUYRKSA-N 1 2 232.331 2.427 20 30 BEEDLO CCCCC=[NH+]n1nnc2c1CCCC2 ZINC000901331167 584425268 /nfs/dbraw/zinc/42/52/68/584425268.db2.gz LCNJTKJCJDYYLL-UHFFFAOYSA-N 1 2 206.293 2.181 20 30 BEEDLO CC[C@H](C)C=[NH+]n1nnc2c1CCCC2 ZINC000901331039 584425302 /nfs/dbraw/zinc/42/53/02/584425302.db2.gz INCHNVBASSQUCF-VIFPVBQESA-N 1 2 206.293 2.037 20 30 BEEDLO C(=[NH+]n1nnc2c1CCCC2)[C@H]1CC=CCC1 ZINC000901334171 584425808 /nfs/dbraw/zinc/42/58/08/584425808.db2.gz QYCXKBIJXNZNJZ-NSHDSACASA-N 1 2 230.315 2.347 20 30 BEEDLO CC(C)c1c[nH]c(C=CC(=O)c2ccnn2C)[nH+]1 ZINC000901498157 584454501 /nfs/dbraw/zinc/45/45/01/584454501.db2.gz GOCRLBLYDBBNHT-PLNGDYQASA-N 1 2 244.298 2.163 20 30 BEEDLO CC(C)c1nc(C(=O)/C=C/c2c[nH+]cn2C)co1 ZINC000901503693 584455054 /nfs/dbraw/zinc/45/50/54/584455054.db2.gz FWZDYDDUJGZWNE-SNAWJCMRSA-N 1 2 245.282 2.428 20 30 BEEDLO CCn1ccnc1C(=O)/C=C\c1c[nH+]cn1CC ZINC000901557688 584463044 /nfs/dbraw/zinc/46/30/44/584463044.db2.gz WFQDSJQCQOPCMR-WAYWQWQTSA-N 1 2 244.298 2.016 20 30 BEEDLO C#CCCCCCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000902740004 584663339 /nfs/dbraw/zinc/66/33/39/584663339.db2.gz XJSHHZCHHYTHIZ-LBPRGKRZSA-N 1 2 238.331 2.248 20 30 BEEDLO Cc1cc(C[NH2+][C@H](C)c2cc(C#N)ccn2)on1 ZINC000902793911 584673537 /nfs/dbraw/zinc/67/35/37/584673537.db2.gz ORSYGNGVFZLQAU-SNVBAGLBSA-N 1 2 242.282 2.101 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(C#N)ccn1 ZINC000903034903 584718901 /nfs/dbraw/zinc/71/89/01/584718901.db2.gz DZHLCYYOIBDRTD-LLVKDONJSA-N 1 2 240.310 2.298 20 30 BEEDLO CCCn1cc([C@H](C)[NH2+]CC2(C#N)CCC2)nn1 ZINC000903035432 584719109 /nfs/dbraw/zinc/71/91/09/584719109.db2.gz PFRMSCBDHWCVGH-NSHDSACASA-N 1 2 247.346 2.033 20 30 BEEDLO C[C@H]([NH2+]CC(C)(C)C#N)c1cccc(C#N)c1O ZINC000903101161 584727026 /nfs/dbraw/zinc/72/70/26/584727026.db2.gz BRTXIAHKAONFSJ-JTQLQIEISA-N 1 2 243.310 2.464 20 30 BEEDLO CC[C@@H]([NH2+]CC(C)(C)C#N)c1nccn1C ZINC000903100800 584727519 /nfs/dbraw/zinc/72/75/19/584727519.db2.gz YLUOJBHRJAIDHV-SNVBAGLBSA-N 1 2 220.320 2.011 20 30 BEEDLO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cn1 ZINC000903105605 584727821 /nfs/dbraw/zinc/72/78/21/584727821.db2.gz FNNIAFVIKBGWCU-SECBINFHSA-N 1 2 219.263 2.175 20 30 BEEDLO COC(=O)c1coc([C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000903105892 584727867 /nfs/dbraw/zinc/72/78/67/584727867.db2.gz IJYGICWRIBPQLN-SECBINFHSA-N 1 2 248.282 2.021 20 30 BEEDLO N#CC1(C[NH2+][C@H]2CCn3ccnc32)CCCC1 ZINC000903108360 584728809 /nfs/dbraw/zinc/72/88/09/584728809.db2.gz ALFMNXWDTAMDAN-NSHDSACASA-N 1 2 230.315 2.001 20 30 BEEDLO C#CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC000830155308 584908146 /nfs/dbraw/zinc/90/81/46/584908146.db2.gz SBZDEKNQGFFNGQ-UHFFFAOYSA-N 1 2 241.294 2.047 20 30 BEEDLO COc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)c(F)c1 ZINC000731155513 584922783 /nfs/dbraw/zinc/92/27/83/584922783.db2.gz IWVYDNYPHDLYLQ-SNAWJCMRSA-N 1 2 246.241 2.454 20 30 BEEDLO O=C1c2ccc(O)cc2CC/C1=C/c1[nH]cc[nH+]1 ZINC000731159839 584923156 /nfs/dbraw/zinc/92/31/56/584923156.db2.gz XUJCGAMOXCUQTR-NTMALXAHSA-N 1 2 240.262 2.328 20 30 BEEDLO Cc1cc[nH+]cc1CCC=NOC[C@@H]1CCOC1 ZINC000788037294 584927967 /nfs/dbraw/zinc/92/79/67/584927967.db2.gz TXPQNOLXMWTKEB-CYBMUJFWSA-N 1 2 248.326 2.362 20 30 BEEDLO C=C(C)COC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000732358688 584936174 /nfs/dbraw/zinc/93/61/74/584936174.db2.gz SEBXQYJIANTSBR-UHFFFAOYSA-N 1 2 244.294 2.305 20 30 BEEDLO COc1cccc(/C=[NH+]\C[C@@]2(C)CCOC2)c1O ZINC000733081347 584943055 /nfs/dbraw/zinc/94/30/55/584943055.db2.gz VXOVACBTCVYIIB-QVTJDRNWSA-N 1 2 249.310 2.246 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/C[C@@]2(C)CCOC2)c1 ZINC000733080797 584943089 /nfs/dbraw/zinc/94/30/89/584943089.db2.gz BMQVGQKAHCTWNJ-VLHYRRCOSA-N 1 2 249.310 2.246 20 30 BEEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)OCCCC ZINC000741788069 584956568 /nfs/dbraw/zinc/95/65/68/584956568.db2.gz XVRBETDXZHHXIY-GFCCVEGCSA-N 1 2 225.332 2.392 20 30 BEEDLO CC(=[NH+]OCC1CC1)c1cc([N+](=O)[O-])ccc1N ZINC000814940845 584970230 /nfs/dbraw/zinc/97/02/30/584970230.db2.gz BROLCOSLFXFJFA-UHFFFAOYSA-N 1 2 249.270 2.328 20 30 BEEDLO C(=NO[C@@H]1CCCCO1)c1cccc2[nH+]ccn21 ZINC000755822171 584987788 /nfs/dbraw/zinc/98/77/88/584987788.db2.gz GIKRVXBNRRNIRB-CYBMUJFWSA-N 1 2 245.282 2.211 20 30 BEEDLO CC(C)n1cc2c(n1)[C@@H]([NH2+]CCC#N)CCC2 ZINC000819219045 585000363 /nfs/dbraw/zinc/00/03/63/585000363.db2.gz BEJZTJCZEGUAQK-LBPRGKRZSA-N 1 2 232.331 2.345 20 30 BEEDLO C#CC[C@@H]([NH2+][C@H](C)CCCCC)C(=O)OC ZINC000839167438 585095485 /nfs/dbraw/zinc/09/54/85/585095485.db2.gz DHUQADOFFXKWFB-VXGBXAGGSA-N 1 2 225.332 2.110 20 30 BEEDLO C#CC[C@H]([NH2+]C[C@@H]1CC(C)=C[C@H](C)C1)C(=O)OC ZINC000839167628 585095488 /nfs/dbraw/zinc/09/54/88/585095488.db2.gz HFGYSPOSJFPOHK-UBHSHLNASA-N 1 2 249.354 2.133 20 30 BEEDLO C#CC[C@@H]([NH2+][C@H](CC)CCCC)C(=O)OC ZINC000839168446 585095597 /nfs/dbraw/zinc/09/55/97/585095597.db2.gz KRKPJAMVILQPSA-VXGBXAGGSA-N 1 2 225.332 2.110 20 30 BEEDLO C#C[C@@H]1COCC[N@@H+]1Cc1coc2ccccc12 ZINC000839187002 585097083 /nfs/dbraw/zinc/09/70/83/585097083.db2.gz XELJNYWBVUOSDE-CYBMUJFWSA-N 1 2 241.290 2.267 20 30 BEEDLO C#C[C@@H]1COCC[N@H+]1Cc1coc2ccccc12 ZINC000839187002 585097084 /nfs/dbraw/zinc/09/70/84/585097084.db2.gz XELJNYWBVUOSDE-CYBMUJFWSA-N 1 2 241.290 2.267 20 30 BEEDLO C#C[C@H]1COCC[N@H+]1C/C(C)=C/c1ccccc1 ZINC000839186650 585097103 /nfs/dbraw/zinc/09/71/03/585097103.db2.gz NHHNHUASMIQTJW-UKYUDJEDSA-N 1 2 241.334 2.424 20 30 BEEDLO C#C[C@H]1COCC[N@@H+]1C/C(C)=C/c1ccccc1 ZINC000839186650 585097104 /nfs/dbraw/zinc/09/71/04/585097104.db2.gz NHHNHUASMIQTJW-UKYUDJEDSA-N 1 2 241.334 2.424 20 30 BEEDLO C=C[C@H](C)NC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750388829 585214011 /nfs/dbraw/zinc/21/40/11/585214011.db2.gz GEDBGQGFURFCKV-VIFPVBQESA-N 1 2 248.330 2.152 20 30 BEEDLO C#CCOc1cccc(OCc2c[nH+]cn2C)c1 ZINC000753118164 585253784 /nfs/dbraw/zinc/25/37/84/585253784.db2.gz FFICIRBKGPUYPR-UHFFFAOYSA-N 1 2 242.278 2.011 20 30 BEEDLO C1=CC[C@H](CN=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000753932924 585272133 /nfs/dbraw/zinc/27/21/33/585272133.db2.gz BNCHVUNSWPJCBW-YNEHKIRRSA-N 1 2 246.358 2.189 20 30 BEEDLO CC(N=NC1=[NH+][C@@H]2CCCC[C@H]2N1)C1CCCC1 ZINC000753938583 585272408 /nfs/dbraw/zinc/27/24/08/585272408.db2.gz KFKUAHOWQPLDPV-CHWSQXEVSA-N 1 2 248.374 2.413 20 30 BEEDLO CCC(CC)CN=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753936736 585272496 /nfs/dbraw/zinc/27/24/96/585272496.db2.gz VXXOTUYLTBNIJY-VXGBXAGGSA-N 1 2 236.363 2.268 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NNc1cccc(C#N)c1 ZINC000755624195 585302656 /nfs/dbraw/zinc/30/26/56/585302656.db2.gz HOEFETLZJRQABT-UHFFFAOYSA-N 1 2 225.255 2.036 20 30 BEEDLO Cn1c[nH+]cc1C=NNc1ccccc1F ZINC000755628744 585302668 /nfs/dbraw/zinc/30/26/68/585302668.db2.gz KUZRWWDASGXQLI-UHFFFAOYSA-N 1 2 218.235 2.005 20 30 BEEDLO Cn1c[nH+]cc1C=NNc1cccc(F)c1 ZINC000755661185 585303635 /nfs/dbraw/zinc/30/36/35/585303635.db2.gz GCRLFZKHTMRTPC-UHFFFAOYSA-N 1 2 218.235 2.005 20 30 BEEDLO Cc1ccc(F)c(N=NCc2c[nH]c[nH+]2)c1 ZINC000755773314 585306862 /nfs/dbraw/zinc/30/68/62/585306862.db2.gz UZDYBSUEDLAWTO-UHFFFAOYSA-N 1 2 218.235 2.303 20 30 BEEDLO C=C(Cl)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000839532482 585322818 /nfs/dbraw/zinc/32/28/18/585322818.db2.gz SPEMJVSTBORECI-UHFFFAOYSA-N 1 2 207.651 2.470 20 30 BEEDLO C=C(Cl)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000839534344 585329453 /nfs/dbraw/zinc/32/94/53/585329453.db2.gz AZGOBKMOAWRFET-VIFPVBQESA-N 1 2 211.696 2.299 20 30 BEEDLO O=C1c2c(cc(F)cc2F)O/C1=C/c1[nH]cc[nH+]1 ZINC000758029174 585348477 /nfs/dbraw/zinc/34/84/77/585348477.db2.gz JKLYNJDTGGMIMY-WEVVVXLNSA-N 1 2 248.188 2.304 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1ccc(O)c(F)c1 ZINC000790299634 585386311 /nfs/dbraw/zinc/38/63/11/585386311.db2.gz GRCJVTVSMYERDI-UHFFFAOYSA-N 1 2 248.261 2.101 20 30 BEEDLO CC(=O)Oc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000762630217 585434451 /nfs/dbraw/zinc/43/44/51/585434451.db2.gz UZWIJBCLFDAQCA-LLVKDONJSA-N 1 2 246.310 2.203 20 30 BEEDLO CC(=O)Oc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000762630217 585434452 /nfs/dbraw/zinc/43/44/52/585434452.db2.gz UZWIJBCLFDAQCA-LLVKDONJSA-N 1 2 246.310 2.203 20 30 BEEDLO CC(=O)Oc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000762630218 585434617 /nfs/dbraw/zinc/43/46/17/585434617.db2.gz UZWIJBCLFDAQCA-NSHDSACASA-N 1 2 246.310 2.203 20 30 BEEDLO CC(=O)Oc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000762630218 585434618 /nfs/dbraw/zinc/43/46/18/585434618.db2.gz UZWIJBCLFDAQCA-NSHDSACASA-N 1 2 246.310 2.203 20 30 BEEDLO C#CCN(c1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC000763561244 585450674 /nfs/dbraw/zinc/45/06/74/585450674.db2.gz GLDSNZIYPUONPP-UHFFFAOYSA-N 1 2 241.338 2.266 20 30 BEEDLO C#CC[N@H+](Cc1noc2c1CCCC2)C1CC1 ZINC000763954984 585457844 /nfs/dbraw/zinc/45/78/44/585457844.db2.gz DHBMBQMQOAIXDB-UHFFFAOYSA-N 1 2 230.311 2.151 20 30 BEEDLO C#CC[N@@H+](Cc1noc2c1CCCC2)C1CC1 ZINC000763954984 585457845 /nfs/dbraw/zinc/45/78/45/585457845.db2.gz DHBMBQMQOAIXDB-UHFFFAOYSA-N 1 2 230.311 2.151 20 30 BEEDLO CC[N@H+](CCC#N)Cc1c(O)cccc1OC ZINC000768244056 585535008 /nfs/dbraw/zinc/53/50/08/585535008.db2.gz HFJYJGSGIHMFPP-UHFFFAOYSA-N 1 2 234.299 2.136 20 30 BEEDLO CC[N@@H+](CCC#N)Cc1c(O)cccc1OC ZINC000768244056 585535009 /nfs/dbraw/zinc/53/50/09/585535009.db2.gz HFJYJGSGIHMFPP-UHFFFAOYSA-N 1 2 234.299 2.136 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000769335099 585554171 /nfs/dbraw/zinc/55/41/71/585554171.db2.gz TWOXIJBIXRYQGV-LLVKDONJSA-N 1 2 230.311 2.451 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000769335099 585554172 /nfs/dbraw/zinc/55/41/72/585554172.db2.gz TWOXIJBIXRYQGV-LLVKDONJSA-N 1 2 230.311 2.451 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccc(CC)o1 ZINC000769452615 585557082 /nfs/dbraw/zinc/55/70/82/585557082.db2.gz ZTLQCDXZFKNHCQ-UHFFFAOYSA-N 1 2 215.296 2.301 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccc(CC)o1 ZINC000769452615 585557083 /nfs/dbraw/zinc/55/70/83/585557083.db2.gz ZTLQCDXZFKNHCQ-UHFFFAOYSA-N 1 2 215.296 2.301 20 30 BEEDLO C#CC[N@H+](CC#CC)Cc1ccccc1OC ZINC000769451049 585557204 /nfs/dbraw/zinc/55/72/04/585557204.db2.gz GLEUIGXRHPXJFV-UHFFFAOYSA-N 1 2 227.307 2.154 20 30 BEEDLO C#CC[N@@H+](CC#CC)Cc1ccccc1OC ZINC000769451049 585557205 /nfs/dbraw/zinc/55/72/05/585557205.db2.gz GLEUIGXRHPXJFV-UHFFFAOYSA-N 1 2 227.307 2.154 20 30 BEEDLO Cc1ccoc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000769784017 585563358 /nfs/dbraw/zinc/56/33/58/585563358.db2.gz NCABKGXWWWWWJZ-NSCUHMNNSA-N 1 2 202.213 2.207 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1noc2c1CCCC2 ZINC000769960455 585567700 /nfs/dbraw/zinc/56/77/00/585567700.db2.gz BWWRWKKAQSCVBW-JTQLQIEISA-N 1 2 218.300 2.007 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1noc2c1CCCC2 ZINC000769960455 585567701 /nfs/dbraw/zinc/56/77/01/585567701.db2.gz BWWRWKKAQSCVBW-JTQLQIEISA-N 1 2 218.300 2.007 20 30 BEEDLO C=CCCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770734462 585580562 /nfs/dbraw/zinc/58/05/62/585580562.db2.gz SXDIXCUQVJKWPJ-UHFFFAOYSA-N 1 2 230.267 2.344 20 30 BEEDLO c1cn2c(cccc2CN=Nc2ccccn2)[nH+]1 ZINC000771086987 585590067 /nfs/dbraw/zinc/59/00/67/585590067.db2.gz BUSZQLADTMXTBX-UHFFFAOYSA-N 1 2 237.266 2.175 20 30 BEEDLO Cc1ccc(COC(=O)C(C)(C)C#N)c(C)[nH+]1 ZINC000772023866 585607227 /nfs/dbraw/zinc/60/72/27/585607227.db2.gz QSZDUJZDHVTGRV-UHFFFAOYSA-N 1 2 232.283 2.291 20 30 BEEDLO Cc1ccc(COC(=O)C2(C#N)CCC2)c(C)[nH+]1 ZINC000772139473 585609028 /nfs/dbraw/zinc/60/90/28/585609028.db2.gz LZYSWVCTHJWETB-UHFFFAOYSA-N 1 2 244.294 2.436 20 30 BEEDLO CO[C@@H]1CCC[C@@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000774541830 585660998 /nfs/dbraw/zinc/66/09/98/585660998.db2.gz LGHRGHNDOQRKKL-OGSQCODOSA-N 1 2 249.310 2.332 20 30 BEEDLO C=Cn1cc(C[N@@H+](CCC#N)CC(C)C)cn1 ZINC000774821436 585667027 /nfs/dbraw/zinc/66/70/27/585667027.db2.gz WILVRPJQVOVDPH-UHFFFAOYSA-N 1 2 232.331 2.355 20 30 BEEDLO C=Cn1cc(C[N@H+](CCC#N)CC(C)C)cn1 ZINC000774821436 585667028 /nfs/dbraw/zinc/66/70/28/585667028.db2.gz WILVRPJQVOVDPH-UHFFFAOYSA-N 1 2 232.331 2.355 20 30 BEEDLO C#C[C@H]([NH2+]Cc1ncc(C(C)C)o1)[C@H]1CCCO1 ZINC000775795180 585685336 /nfs/dbraw/zinc/68/53/36/585685336.db2.gz UWKJNCWGCGVNAV-NWDGAFQWSA-N 1 2 248.326 2.068 20 30 BEEDLO CCc1cnccc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000776189991 585692329 /nfs/dbraw/zinc/69/23/29/585692329.db2.gz MRMLNDAUVOWMFP-ONEGZZNKSA-N 1 2 227.267 2.263 20 30 BEEDLO N#Cc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1F ZINC000776726253 585703457 /nfs/dbraw/zinc/70/34/57/585703457.db2.gz HZPDIBJAWZAJRO-ONEGZZNKSA-N 1 2 241.225 2.317 20 30 BEEDLO Cc1[nH]c[nH+]c1C=NOCCC(F)(F)F ZINC000777458797 585713064 /nfs/dbraw/zinc/71/30/64/585713064.db2.gz DEZYNIOQOIQVLV-UHFFFAOYSA-N 1 2 221.182 2.021 20 30 BEEDLO CCSCCO[NH+]=C(N)c1ccc(F)cc1 ZINC000778026194 585725272 /nfs/dbraw/zinc/72/52/72/585725272.db2.gz OXWLEBTXRGSSPH-UHFFFAOYSA-N 1 2 242.319 2.216 20 30 BEEDLO COc1ccc(O)cc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000779711739 585759424 /nfs/dbraw/zinc/75/94/24/585759424.db2.gz URDIBXUSYDSVCX-HWKANZROSA-N 1 2 244.250 2.020 20 30 BEEDLO Cc1csc(C[NH2+]Cc2ccc(C#N)cn2)n1 ZINC000780554967 585780987 /nfs/dbraw/zinc/78/09/87/585780987.db2.gz BVUKIKJSSSHFKC-UHFFFAOYSA-N 1 2 244.323 2.008 20 30 BEEDLO N#Cc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)c(F)c1 ZINC000781107000 585790282 /nfs/dbraw/zinc/79/02/82/585790282.db2.gz DNVGGKRZOTZVIG-ONEGZZNKSA-N 1 2 241.225 2.317 20 30 BEEDLO Nc1ncc(C=[NH+]Nc2cccc(Cl)c2)cn1 ZINC000781572496 585799051 /nfs/dbraw/zinc/79/90/51/585799051.db2.gz UAOZAPYIZUFDMV-UHFFFAOYSA-N 1 2 247.689 2.158 20 30 BEEDLO CC[N@@H+](Cc1ccnc(N(C)C)c1)C[C@H](C)C#N ZINC000782173561 585809473 /nfs/dbraw/zinc/80/94/73/585809473.db2.gz CMPFZOFDUYXUGN-GFCCVEGCSA-N 1 2 246.358 2.129 20 30 BEEDLO CC[N@H+](Cc1ccnc(N(C)C)c1)C[C@H](C)C#N ZINC000782173561 585809474 /nfs/dbraw/zinc/80/94/74/585809474.db2.gz CMPFZOFDUYXUGN-GFCCVEGCSA-N 1 2 246.358 2.129 20 30 BEEDLO Cc1oncc1C[N@@H+](CCC#N)CC(C)C ZINC000782497490 585819337 /nfs/dbraw/zinc/81/93/37/585819337.db2.gz BBJGSVBYGFQEBO-UHFFFAOYSA-N 1 2 221.304 2.355 20 30 BEEDLO Cc1oncc1C[N@H+](CCC#N)CC(C)C ZINC000782497490 585819338 /nfs/dbraw/zinc/81/93/38/585819338.db2.gz BBJGSVBYGFQEBO-UHFFFAOYSA-N 1 2 221.304 2.355 20 30 BEEDLO Cc1oncc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000782529860 585819417 /nfs/dbraw/zinc/81/94/17/585819417.db2.gz DPRHHCPBHZYEAT-LBPRGKRZSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1oncc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000782529860 585819418 /nfs/dbraw/zinc/81/94/18/585819418.db2.gz DPRHHCPBHZYEAT-LBPRGKRZSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1oncc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000782529857 585819462 /nfs/dbraw/zinc/81/94/62/585819462.db2.gz DPRHHCPBHZYEAT-GFCCVEGCSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1oncc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000782529857 585819463 /nfs/dbraw/zinc/81/94/63/585819463.db2.gz DPRHHCPBHZYEAT-GFCCVEGCSA-N 1 2 219.288 2.109 20 30 BEEDLO C=CC[N@H+](Cc1c(Cl)cnn1C)C(C)C ZINC000783529099 585836001 /nfs/dbraw/zinc/83/60/01/585836001.db2.gz GLZYEWHJFCTKMW-UHFFFAOYSA-N 1 2 227.739 2.470 20 30 BEEDLO C=CC[N@@H+](Cc1c(Cl)cnn1C)C(C)C ZINC000783529099 585836002 /nfs/dbraw/zinc/83/60/02/585836002.db2.gz GLZYEWHJFCTKMW-UHFFFAOYSA-N 1 2 227.739 2.470 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]\CC[C@H]1CCOC1 ZINC000783685994 585840196 /nfs/dbraw/zinc/84/01/96/585840196.db2.gz UBPPFSGZRVOUBT-GPILYODUSA-N 1 2 249.310 2.246 20 30 BEEDLO CCON=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783820160 585844090 /nfs/dbraw/zinc/84/40/90/585844090.db2.gz DLBZJKOYGZUXRT-UHFFFAOYSA-N 1 2 221.285 2.304 20 30 BEEDLO C=C(Cl)COC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785734099 585879079 /nfs/dbraw/zinc/87/90/79/585879079.db2.gz RFYOLAZBLBAXPX-NXEZZACHSA-N 1 2 231.723 2.155 20 30 BEEDLO C=CCC[N@@H+](C)Cn1nc2ccccn2c1=S ZINC000786102103 585887315 /nfs/dbraw/zinc/88/73/15/585887315.db2.gz LSMMGSXOPFJSPW-UHFFFAOYSA-N 1 2 248.355 2.331 20 30 BEEDLO C=CCC[N@H+](C)Cn1nc2ccccn2c1=S ZINC000786102103 585887316 /nfs/dbraw/zinc/88/73/16/585887316.db2.gz LSMMGSXOPFJSPW-UHFFFAOYSA-N 1 2 248.355 2.331 20 30 BEEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C#CCC)n1 ZINC000789332729 585940061 /nfs/dbraw/zinc/94/00/61/585940061.db2.gz WKRSOACIEBJFLL-CQSZACIVSA-N 1 2 243.354 2.140 20 30 BEEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C#CCC)n1 ZINC000789332729 585940062 /nfs/dbraw/zinc/94/00/62/585940062.db2.gz WKRSOACIEBJFLL-CQSZACIVSA-N 1 2 243.354 2.140 20 30 BEEDLO CC[C@H](C)NN=Cc1cccc2[nH+]ccn21 ZINC000790191478 585960785 /nfs/dbraw/zinc/96/07/85/585960785.db2.gz ZDGDZFQVNZKHGH-JTQLQIEISA-N 1 2 216.288 2.056 20 30 BEEDLO Cn1cc[nH+]c1NN=Cc1cccc(F)c1F ZINC000790299724 585962607 /nfs/dbraw/zinc/96/26/07/585962607.db2.gz IESBHVNQHCYXCE-UHFFFAOYSA-N 1 2 236.225 2.144 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1ccc(O)c(C)c1 ZINC000790300937 585962620 /nfs/dbraw/zinc/96/26/20/585962620.db2.gz AFCLQODEZFMMPW-UHFFFAOYSA-N 1 2 244.298 2.270 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1cccc(F)c1 ZINC000790300199 585962634 /nfs/dbraw/zinc/96/26/34/585962634.db2.gz ORUYWJIEZRLCIV-UHFFFAOYSA-N 1 2 232.262 2.395 20 30 BEEDLO COc1ccc(C=NNc2[nH+]ccn2C)cc1C ZINC000790300115 585962651 /nfs/dbraw/zinc/96/26/51/585962651.db2.gz RQHASKKQKHEZTN-UHFFFAOYSA-N 1 2 244.298 2.183 20 30 BEEDLO Cn1cc[nH+]c1NN=C1CCc2ccccc21 ZINC000790299568 585962733 /nfs/dbraw/zinc/96/27/33/585962733.db2.gz FDNOVJDJTPLEPC-UHFFFAOYSA-N 1 2 226.283 2.183 20 30 BEEDLO CC(=NNc1[nH+]ccn1C)c1ccc(F)cc1O ZINC000790303335 585963204 /nfs/dbraw/zinc/96/32/04/585963204.db2.gz SBAUMKZYGZCEDZ-UHFFFAOYSA-N 1 2 248.261 2.101 20 30 BEEDLO Cc1cccc2c1CCC2=NNc1[nH+]ccn1C ZINC000790305608 585963511 /nfs/dbraw/zinc/96/35/11/585963511.db2.gz KWDFZIDSORIFGD-UHFFFAOYSA-N 1 2 240.310 2.491 20 30 BEEDLO C#C[C@H](CCC)[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC000790546615 585965960 /nfs/dbraw/zinc/96/59/60/585965960.db2.gz MJCZFMUKDLDOCE-OLZOCXBDSA-N 1 2 239.359 2.356 20 30 BEEDLO COc1cccc(O)c1/C=[NH+]/CCC1(O)CCC1 ZINC000790575630 585966408 /nfs/dbraw/zinc/96/64/08/585966408.db2.gz UKNZLJRBZLGJSG-XNTDXEJSSA-N 1 2 249.310 2.125 20 30 BEEDLO C=CC[N@@H+](CC[N+](=O)[O-])Cc1ccccc1F ZINC000791053574 585973079 /nfs/dbraw/zinc/97/30/79/585973079.db2.gz UKCLPLWNZMZBAF-UHFFFAOYSA-N 1 2 238.262 2.090 20 30 BEEDLO C=CC[N@H+](CC[N+](=O)[O-])Cc1ccccc1F ZINC000791053574 585973080 /nfs/dbraw/zinc/97/30/80/585973080.db2.gz UKCLPLWNZMZBAF-UHFFFAOYSA-N 1 2 238.262 2.090 20 30 BEEDLO C[C@]12CC[N@H+](CCC#N)C[C@H]1C2(Cl)Cl ZINC000792903428 586006744 /nfs/dbraw/zinc/00/67/44/586006744.db2.gz KOOWJPXVLCCALI-BDAKNGLRSA-N 1 2 233.142 2.416 20 30 BEEDLO Nc1ncccc1C=[NH+]Nc1cccc(Cl)n1 ZINC000793176206 586013100 /nfs/dbraw/zinc/01/31/00/586013100.db2.gz ZYQGOMCLMREFSC-UHFFFAOYSA-N 1 2 247.689 2.158 20 30 BEEDLO C#CCCCCCC(=O)OCCc1c[nH+]cn1C ZINC000793254276 586015102 /nfs/dbraw/zinc/01/51/02/586015102.db2.gz CSSQLKFGTAEQAI-UHFFFAOYSA-N 1 2 248.326 2.090 20 30 BEEDLO C=C(C)CCO[NH+]=C(N)Cc1csc(C)n1 ZINC000795205128 586071703 /nfs/dbraw/zinc/07/17/03/586071703.db2.gz GBULZOFJWLPQSD-UHFFFAOYSA-N 1 2 239.344 2.459 20 30 BEEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ncc[nH]1 ZINC000796828587 586114054 /nfs/dbraw/zinc/11/40/54/586114054.db2.gz QURZCKWOSAVDNM-VIFPVBQESA-N 1 2 244.273 2.271 20 30 BEEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ncc[nH]1 ZINC000796827959 586114087 /nfs/dbraw/zinc/11/40/87/586114087.db2.gz QURZCKWOSAVDNM-SECBINFHSA-N 1 2 244.273 2.271 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]\[C@H](C)[C@H]2CCOC2)c1 ZINC000798343803 586142804 /nfs/dbraw/zinc/14/28/04/586142804.db2.gz RFHGMTNYFJFHHH-NLQHLNQPSA-N 1 2 249.310 2.245 20 30 BEEDLO C#C[C@@H](Nc1[nH+]c(C)nc2[nH]ccc21)C(C)C ZINC000798409653 586143506 /nfs/dbraw/zinc/14/35/06/586143506.db2.gz XNIAYJPXEJLDIN-LLVKDONJSA-N 1 2 228.299 2.336 20 30 BEEDLO CC(C)(C)OCC(N)=[NH+]OCCC(C)(C)C#N ZINC000799963215 586203985 /nfs/dbraw/zinc/20/39/85/586203985.db2.gz JCXCEDMLYOPQSB-UHFFFAOYSA-N 1 2 241.335 2.240 20 30 BEEDLO Cn1c[nH+]c(/C=C/C(=O)c2ccccc2F)c1 ZINC000800791492 586228606 /nfs/dbraw/zinc/22/86/06/586228606.db2.gz AHPMDIZHWMYOAG-VOTSOKGWSA-N 1 2 230.242 2.455 20 30 BEEDLO C=CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1C1CC1)C1CC1 ZINC000811762612 586566819 /nfs/dbraw/zinc/56/68/19/586566819.db2.gz QIAAVHXJCHGNOF-ZDUSSCGKSA-N 1 2 248.370 2.241 20 30 BEEDLO C=CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1C1CC1)C1CC1 ZINC000811762612 586566820 /nfs/dbraw/zinc/56/68/20/586566820.db2.gz QIAAVHXJCHGNOF-ZDUSSCGKSA-N 1 2 248.370 2.241 20 30 BEEDLO CCC(=[NH+]Nc1cncnc1)c1cccc(N)c1 ZINC000814926685 586651958 /nfs/dbraw/zinc/65/19/58/586651958.db2.gz FMOGEVQEDQANJW-UHFFFAOYSA-N 1 2 241.298 2.285 20 30 BEEDLO Cc1ccc(COC(=O)CC2(C#N)CC2)c(C)[nH+]1 ZINC000815415930 586683522 /nfs/dbraw/zinc/68/35/22/586683522.db2.gz IOIRQEHXIUDOBY-UHFFFAOYSA-N 1 2 244.294 2.436 20 30 BEEDLO C=CCC(F)(F)C(=O)Nc1cc(C)[nH+]cc1C ZINC000815849188 586694958 /nfs/dbraw/zinc/69/49/58/586694958.db2.gz FDHJITRQSWHQEL-UHFFFAOYSA-N 1 2 240.253 2.270 20 30 BEEDLO C=CC[NH+](CC=C)Cc1cnn(C)c1Cl ZINC000816480337 586736208 /nfs/dbraw/zinc/73/62/08/586736208.db2.gz KOKMDSYUUOBYRO-UHFFFAOYSA-N 1 2 225.723 2.248 20 30 BEEDLO FC(F)(F)C=CNNc1ccc(Cl)n[nH+]1 ZINC000817322286 586794241 /nfs/dbraw/zinc/79/42/41/586794241.db2.gz REUMPIVZFHIKMW-UHFFFAOYSA-N 1 2 238.600 2.480 20 30 BEEDLO CCOCCON=C1CCc2ccc[nH+]c2CC1 ZINC000817326828 586794743 /nfs/dbraw/zinc/79/47/43/586794743.db2.gz WMIKOSADKHANQW-UHFFFAOYSA-N 1 2 248.326 2.370 20 30 BEEDLO C#CCCCOc1ccc[nH+]c1NCCCOC ZINC000820599744 587058272 /nfs/dbraw/zinc/05/82/72/587058272.db2.gz ZLXPFDBEPDNJKO-UHFFFAOYSA-N 1 2 248.326 2.322 20 30 BEEDLO C=C(C)C(C)(C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000820889775 587080165 /nfs/dbraw/zinc/08/01/65/587080165.db2.gz MLHMWIQTEWNLNI-NSHDSACASA-N 1 2 243.322 2.176 20 30 BEEDLO C=C(C)C(C)(C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000820889775 587080166 /nfs/dbraw/zinc/08/01/66/587080166.db2.gz MLHMWIQTEWNLNI-NSHDSACASA-N 1 2 243.322 2.176 20 30 BEEDLO Nc1ccc(/C=C\C(=O)c2ccc(O)cc2)c[nH+]1 ZINC000821021225 587089031 /nfs/dbraw/zinc/08/90/31/587089031.db2.gz DPESXUKFTDWEPS-XFSBKJJWSA-N 1 2 240.262 2.266 20 30 BEEDLO N#Cc1ccc(C(=O)/C=C\c2ccc(N)[nH+]c2)cc1 ZINC000821023165 587089416 /nfs/dbraw/zinc/08/94/16/587089416.db2.gz YMBCLBSRBHARJS-CLTKARDFSA-N 1 2 249.273 2.432 20 30 BEEDLO N#Cc1ccc(/C=C/c2ccc(N)[nH+]c2)nc1 ZINC000821038298 587090337 /nfs/dbraw/zinc/09/03/37/587090337.db2.gz HJUJVIXASWPINB-DAFODLJHSA-N 1 2 222.251 2.101 20 30 BEEDLO C=C[C@H](CC)CC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000823307973 587215218 /nfs/dbraw/zinc/21/52/18/587215218.db2.gz YVGJAGMRPQISDS-DTWKUNHWSA-N 1 2 226.345 2.196 20 30 BEEDLO CC(C)C#CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000824836080 587288992 /nfs/dbraw/zinc/28/89/92/587288992.db2.gz HWXKRYHAYOFNNF-GFCCVEGCSA-N 1 2 245.326 2.123 20 30 BEEDLO C#CCCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC000827623792 587392839 /nfs/dbraw/zinc/39/28/39/587392839.db2.gz SKYACIGRECEHOE-UHFFFAOYSA-N 1 2 240.310 2.131 20 30 BEEDLO C=CC[N@H+](Cc1nc(C2CC2)nn1C)C(C)C ZINC000827797081 587402571 /nfs/dbraw/zinc/40/25/71/587402571.db2.gz CFCCEUUWBUOQFY-UHFFFAOYSA-N 1 2 234.347 2.089 20 30 BEEDLO C=CC[N@@H+](Cc1nc(C2CC2)nn1C)C(C)C ZINC000827797081 587402573 /nfs/dbraw/zinc/40/25/73/587402573.db2.gz CFCCEUUWBUOQFY-UHFFFAOYSA-N 1 2 234.347 2.089 20 30 BEEDLO C#CCC[N@@H+](CCOC)Cc1coc(C2CC2)n1 ZINC000827822925 587404467 /nfs/dbraw/zinc/40/44/67/587404467.db2.gz HBZFBHJYRMSSTR-UHFFFAOYSA-N 1 2 248.326 2.024 20 30 BEEDLO C#CCC[N@H+](CCOC)Cc1coc(C2CC2)n1 ZINC000827822925 587404468 /nfs/dbraw/zinc/40/44/68/587404468.db2.gz HBZFBHJYRMSSTR-UHFFFAOYSA-N 1 2 248.326 2.024 20 30 BEEDLO Cc1ccnc(N[C@H]2CCn3cc[nH+]c32)c1C#N ZINC000828357491 587438159 /nfs/dbraw/zinc/43/81/59/587438159.db2.gz IWWITGRUKNXBRU-NSHDSACASA-N 1 2 239.282 2.015 20 30 BEEDLO C=CCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829142467 587484556 /nfs/dbraw/zinc/48/45/56/587484556.db2.gz FQZNZWRFZKQUKP-UHFFFAOYSA-N 1 2 223.707 2.064 20 30 BEEDLO C=CCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829142467 587484558 /nfs/dbraw/zinc/48/45/58/587484558.db2.gz FQZNZWRFZKQUKP-UHFFFAOYSA-N 1 2 223.707 2.064 20 30 BEEDLO CC1=C[C@H](C)C[C@@H](C=[NH+]n2ccnn2)C1 ZINC000835012364 587777901 /nfs/dbraw/zinc/77/79/01/587777901.db2.gz WZRRWOGLTXWLLI-GXSJLCMTSA-N 1 2 204.277 2.104 20 30 BEEDLO CC1(C=[NH+]n2ccnn2)CCCCCC1 ZINC000835012340 587777995 /nfs/dbraw/zinc/77/79/95/587777995.db2.gz WMRHJCCXODVIID-UHFFFAOYSA-N 1 2 206.293 2.473 20 30 BEEDLO C=CCON=C1CCN(c2cccc[nH+]2)CC1 ZINC000835014910 587778215 /nfs/dbraw/zinc/77/82/15/587778215.db2.gz CHLKXPKGRGSEFZ-UHFFFAOYSA-N 1 2 231.299 2.240 20 30 BEEDLO COc1ncc(C[NH2+][C@H](C)CC#N)cc1Cl ZINC000836229625 587829109 /nfs/dbraw/zinc/82/91/09/587829109.db2.gz FVTDDEYJVZKFIW-MRVPVSSYSA-N 1 2 239.706 2.135 20 30 BEEDLO C#CCCCCC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836953839 587843820 /nfs/dbraw/zinc/84/38/20/587843820.db2.gz IDEJWDGUSHOPFF-NEPJUHHUSA-N 1 2 245.326 2.199 20 30 BEEDLO CC(C)(C)C#CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000837510455 587878905 /nfs/dbraw/zinc/87/89/05/587878905.db2.gz JIIJVQLCIKNMDI-NSHDSACASA-N 1 2 245.326 2.123 20 30 BEEDLO Oc1ccccc1/C=[NH+]\[C@H]1CC12CCOCC2 ZINC000840709891 587917652 /nfs/dbraw/zinc/91/76/52/587917652.db2.gz OMMVEJOMYNFLIC-OJNRTJSBSA-N 1 2 231.295 2.380 20 30 BEEDLO CCn1c[nH+]cc1C=NNCCC(C)(C)C ZINC000841633201 587962827 /nfs/dbraw/zinc/96/28/27/587962827.db2.gz ULTMUUAZXJWCQT-UHFFFAOYSA-N 1 2 222.336 2.263 20 30 BEEDLO CCn1c[nH+]cc1CN(CCC#N)CC(C)C ZINC000841828823 587976554 /nfs/dbraw/zinc/97/65/54/587976554.db2.gz AVVPDJOJNXALEC-UHFFFAOYSA-N 1 2 234.347 2.275 20 30 BEEDLO C=CCOCCO[NH+]=C(N)c1ccccc1C ZINC000842013518 587988989 /nfs/dbraw/zinc/98/89/89/587988989.db2.gz NUBLGLALUYUTFM-UHFFFAOYSA-N 1 2 234.299 2.044 20 30 BEEDLO N#CC1(CO[NH+]=C(N)c2ccc(F)cc2)CCC1 ZINC000842019703 587989463 /nfs/dbraw/zinc/98/94/63/587989463.db2.gz UWEQJZDRGFAGAE-UHFFFAOYSA-N 1 2 247.273 2.156 20 30 BEEDLO C[C@@H]([NH2+]CC(C)(C)CC#N)C(=O)OC(C)(C)C ZINC000842161144 588004554 /nfs/dbraw/zinc/00/45/54/588004554.db2.gz OFEZHMYSHZXMAX-SNVBAGLBSA-N 1 2 240.347 2.246 20 30 BEEDLO C[C@H]([NH2+]CC(C)(C)CC#N)C(=O)OC(C)(C)C ZINC000842161142 588005029 /nfs/dbraw/zinc/00/50/29/588005029.db2.gz OFEZHMYSHZXMAX-JTQLQIEISA-N 1 2 240.347 2.246 20 30 BEEDLO C=C[C@H](C)O[NH+]=C1CCCc2nc(N)sc21 ZINC000844619508 588208940 /nfs/dbraw/zinc/20/89/40/588208940.db2.gz AKITZVXYBLHVNL-ZETCQYMHSA-N 1 2 237.328 2.357 20 30 BEEDLO C[C@@H](CC(=O)O[C@@H](C#N)C(C)(C)C)n1cc[nH+]c1 ZINC000845512462 588231410 /nfs/dbraw/zinc/23/14/10/588231410.db2.gz XXYDIGLDZBIWMN-QWRGUYRKSA-N 1 2 249.314 2.316 20 30 BEEDLO C=C(C)[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845514226 588231677 /nfs/dbraw/zinc/23/16/77/588231677.db2.gz LCCOIYZCHMZDNP-MNOVXSKESA-N 1 2 222.288 2.342 20 30 BEEDLO C=C(C)[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845514230 588231687 /nfs/dbraw/zinc/23/16/87/588231687.db2.gz LCCOIYZCHMZDNP-WDEREUQCSA-N 1 2 222.288 2.342 20 30 BEEDLO CC[N@H+](CCC#N)CC1(Br)CC1 ZINC000846810572 588290469 /nfs/dbraw/zinc/29/04/69/588290469.db2.gz GJPTZFKRTKZZEQ-UHFFFAOYSA-N 1 2 231.137 2.149 20 30 BEEDLO CC[N@@H+](CCC#N)CC1(Br)CC1 ZINC000846810572 588290470 /nfs/dbraw/zinc/29/04/70/588290470.db2.gz GJPTZFKRTKZZEQ-UHFFFAOYSA-N 1 2 231.137 2.149 20 30 BEEDLO N#CCCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000846890407 588295675 /nfs/dbraw/zinc/29/56/75/588295675.db2.gz SFVXMIOMAJNSOQ-UHFFFAOYSA-N 1 2 242.282 2.357 20 30 BEEDLO CC(Cc1ccoc1)=NNCCCn1cc[nH+]c1 ZINC000848416434 588381801 /nfs/dbraw/zinc/38/18/01/588381801.db2.gz LFOOZODEYJPVLW-UHFFFAOYSA-N 1 2 246.314 2.074 20 30 BEEDLO C(=NNCCCn1cc[nH+]c1)C1CCCCC1 ZINC000848418763 588382323 /nfs/dbraw/zinc/38/23/23/588382323.db2.gz MWPKOCLGIMEISQ-UHFFFAOYSA-N 1 2 234.347 2.429 20 30 BEEDLO C#C[C@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000848751387 588411547 /nfs/dbraw/zinc/41/15/47/588411547.db2.gz YKQQCVFTAMMQRG-LBPRGKRZSA-N 1 2 239.322 2.423 20 30 BEEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cscn1 ZINC000849324170 588472381 /nfs/dbraw/zinc/47/23/81/588472381.db2.gz YSIFWKCUHNJOKV-VHSXEESVSA-N 1 2 234.328 2.237 20 30 BEEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(F)n1)C1CC1 ZINC000851865725 588636567 /nfs/dbraw/zinc/63/65/67/588636567.db2.gz GNMDGYAMSLWQFS-JTQLQIEISA-N 1 2 233.290 2.345 20 30 BEEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(F)n1)C1CC1 ZINC000851865725 588636568 /nfs/dbraw/zinc/63/65/68/588636568.db2.gz GNMDGYAMSLWQFS-JTQLQIEISA-N 1 2 233.290 2.345 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(-c2ccco2)o1 ZINC000852096644 588662045 /nfs/dbraw/zinc/66/20/45/588662045.db2.gz DLFZDIZOICAEJB-CYBMUJFWSA-N 1 2 245.282 2.221 20 30 BEEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC000852098938 588662494 /nfs/dbraw/zinc/66/24/94/588662494.db2.gz ZQOMSNCMEJXGST-CYBMUJFWSA-N 1 2 235.331 2.259 20 30 BEEDLO C#C[C@@](C)(CC)[NH2+]Cc1noc(C(C)(C)C)n1 ZINC000852099305 588662735 /nfs/dbraw/zinc/66/27/35/588662735.db2.gz JNXLYLVAHWMPJD-ZDUSSCGKSA-N 1 2 235.331 2.259 20 30 BEEDLO C#C[C@](C)(CC)[NH2+][C@H](C)c1ncc(C)o1 ZINC000852102116 588663182 /nfs/dbraw/zinc/66/31/82/588663182.db2.gz VXFGJRVXINVWNE-ZYHUDNBSSA-N 1 2 206.289 2.436 20 30 BEEDLO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnc(CC)o1 ZINC000852101749 588663269 /nfs/dbraw/zinc/66/32/69/588663269.db2.gz IEUNQEHPHUJIAS-JOYOIKCWSA-N 1 2 221.304 2.085 20 30 BEEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnon1 ZINC000852192037 588671133 /nfs/dbraw/zinc/67/11/33/588671133.db2.gz MNAHJNCQTFEYNG-JTQLQIEISA-N 1 2 242.282 2.134 20 30 BEEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnon1 ZINC000852192037 588671134 /nfs/dbraw/zinc/67/11/34/588671134.db2.gz MNAHJNCQTFEYNG-JTQLQIEISA-N 1 2 242.282 2.134 20 30 BEEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cscn1 ZINC000852417397 588681876 /nfs/dbraw/zinc/68/18/76/588681876.db2.gz SLDUHCIRLZNURS-VIFPVBQESA-N 1 2 221.329 2.488 20 30 BEEDLO C=C(Cl)C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000852444099 588682539 /nfs/dbraw/zinc/68/25/39/588682539.db2.gz NWEUFPAIMLOPHZ-JTQLQIEISA-N 1 2 215.724 2.382 20 30 BEEDLO C=C(Cl)C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000852444099 588682540 /nfs/dbraw/zinc/68/25/40/588682540.db2.gz NWEUFPAIMLOPHZ-JTQLQIEISA-N 1 2 215.724 2.382 20 30 BEEDLO C[C@@]1(C#N)CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000852685724 588695861 /nfs/dbraw/zinc/69/58/61/588695861.db2.gz CPFPIJUGNTVQCT-HNNXBMFYSA-N 1 2 242.322 2.452 20 30 BEEDLO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000852685724 588695862 /nfs/dbraw/zinc/69/58/62/588695862.db2.gz CPFPIJUGNTVQCT-HNNXBMFYSA-N 1 2 242.322 2.452 20 30 BEEDLO C[C@]1(C#N)CC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000852685507 588696052 /nfs/dbraw/zinc/69/60/52/588696052.db2.gz XBZLDPNIYCCFPR-ZIAGYGMSSA-N 1 2 248.301 2.095 20 30 BEEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000852685507 588696053 /nfs/dbraw/zinc/69/60/53/588696053.db2.gz XBZLDPNIYCCFPR-ZIAGYGMSSA-N 1 2 248.301 2.095 20 30 BEEDLO Cc1c(F)nccc1C[N@@H+](C)[C@H](C)CC#N ZINC000862238865 589195993 /nfs/dbraw/zinc/19/59/93/589195993.db2.gz MWNGFBFBTBIGOW-SECBINFHSA-N 1 2 221.279 2.263 20 30 BEEDLO Cc1c(F)nccc1C[N@H+](C)[C@H](C)CC#N ZINC000862238865 589195995 /nfs/dbraw/zinc/19/59/95/589195995.db2.gz MWNGFBFBTBIGOW-SECBINFHSA-N 1 2 221.279 2.263 20 30 BEEDLO N#CC1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000862235566 589196034 /nfs/dbraw/zinc/19/60/34/589196034.db2.gz CAZKGWLCHGSWSU-UHFFFAOYSA-N 1 2 231.299 2.288 20 30 BEEDLO CCCCCCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000862357248 589202889 /nfs/dbraw/zinc/20/28/89/589202889.db2.gz RBSHLBRJZSKICF-UHFFFAOYSA-N 1 2 237.347 2.347 20 30 BEEDLO C#CCO[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863112286 589258100 /nfs/dbraw/zinc/25/81/00/589258100.db2.gz KGHKBQVHGHAAFX-UHFFFAOYSA-N 1 2 238.237 2.015 20 30 BEEDLO Cn1c[nH+]c(/C=C2/CCc3scnc3C2=O)c1 ZINC000863196678 589270471 /nfs/dbraw/zinc/27/04/71/589270471.db2.gz RCMDHWOJNQJOSH-YWEYNIOJSA-N 1 2 245.307 2.089 20 30 BEEDLO Cc1ncc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)o1 ZINC000864054209 589336170 /nfs/dbraw/zinc/33/61/70/589336170.db2.gz UINVZJPOHCFOGU-PWSUYJOCSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1ncc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)o1 ZINC000864054209 589336172 /nfs/dbraw/zinc/33/61/72/589336172.db2.gz UINVZJPOHCFOGU-PWSUYJOCSA-N 1 2 219.288 2.107 20 30 BEEDLO C=C(Cn1c[nH+]c(C(C)(C)C)c1)C(=O)OCC ZINC000865375910 589428517 /nfs/dbraw/zinc/42/85/17/589428517.db2.gz QNZGDYLNHXIPQT-UHFFFAOYSA-N 1 2 236.315 2.300 20 30 BEEDLO C=CC[C@@H](CO)CNc1cc(CC(C)C)[nH+]cn1 ZINC000865656220 589454635 /nfs/dbraw/zinc/45/46/35/589454635.db2.gz LUXBVAMTRBSLDA-GFCCVEGCSA-N 1 2 249.358 2.272 20 30 BEEDLO C[C@H](O)c1ccc(NCC2(CC#N)CC2)[nH+]c1 ZINC000865751480 589460596 /nfs/dbraw/zinc/46/05/96/589460596.db2.gz NGKOQRWTAREIJA-JTQLQIEISA-N 1 2 231.299 2.241 20 30 BEEDLO C#CCC[C@H](O)CNc1cc(CCCC)[nH+]cn1 ZINC000865755641 589461073 /nfs/dbraw/zinc/46/10/73/589461073.db2.gz ACKOWJQIKARHJO-ZDUSSCGKSA-N 1 2 247.342 2.005 20 30 BEEDLO C[C@H](O)c1ccc(N[C@@H]2CC[C@H](C#N)C2)[nH+]c1 ZINC000865890887 589467576 /nfs/dbraw/zinc/46/75/76/589467576.db2.gz ZGSMEBOXLMYCNY-JBLDHEPKSA-N 1 2 231.299 2.239 20 30 BEEDLO C=CCCNc1cc(NCCC)[nH+]cn1 ZINC000865936829 589469165 /nfs/dbraw/zinc/46/91/65/589469165.db2.gz QDRYHDJHNDDOIS-UHFFFAOYSA-N 1 2 206.293 2.287 20 30 BEEDLO C=CCCNc1cc(NCCC)nc[nH+]1 ZINC000865936829 589469166 /nfs/dbraw/zinc/46/91/66/589469166.db2.gz QDRYHDJHNDDOIS-UHFFFAOYSA-N 1 2 206.293 2.287 20 30 BEEDLO Cc1cc(N[C@@H]2CCCC[C@@H]2F)c(C#N)c[nH+]1 ZINC000866044792 589473673 /nfs/dbraw/zinc/47/36/73/589473673.db2.gz CESCDYNEBKRIFZ-NWDGAFQWSA-N 1 2 233.290 2.376 20 30 BEEDLO COCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866253436 589483282 /nfs/dbraw/zinc/48/32/82/589483282.db2.gz ZABHOFPGGJCGAB-MNOVXSKESA-N 1 2 248.326 2.339 20 30 BEEDLO C[C@@H]([NH2+][C@H]1CCSC1)c1cccc(C#N)c1O ZINC000866303729 589485357 /nfs/dbraw/zinc/48/53/57/589485357.db2.gz OXUZGOOYKVETDS-KOLCDFICSA-N 1 2 248.351 2.420 20 30 BEEDLO C[C@H]([NH2+]CCCC#N)c1cccc(C#N)c1O ZINC000866334538 589486864 /nfs/dbraw/zinc/48/68/64/589486864.db2.gz AYYHESHXDUAUBB-JTQLQIEISA-N 1 2 229.283 2.218 20 30 BEEDLO C[C@@H]([NH2+][C@H]1CC12CC2)c1cccc(C#N)c1O ZINC000866379736 589489002 /nfs/dbraw/zinc/48/90/02/589489002.db2.gz RRURETNWEGKFCX-SKDRFNHKSA-N 1 2 228.295 2.467 20 30 BEEDLO C/C=C/C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866397610 589490118 /nfs/dbraw/zinc/49/01/18/589490118.db2.gz IUASXNSZISOSTL-HMDXOVGESA-N 1 2 216.284 2.491 20 30 BEEDLO CO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866397762 589490332 /nfs/dbraw/zinc/49/03/32/589490332.db2.gz JKDWUYQSDHTSIT-YUSALJHKSA-N 1 2 246.310 2.092 20 30 BEEDLO C=C[C@@H]([NH2+]CCC[C@H]1C=CCC1)C(=O)OC ZINC000871931785 589833692 /nfs/dbraw/zinc/83/36/92/589833692.db2.gz KVQWKRYJNNSCFL-NWDGAFQWSA-N 1 2 223.316 2.050 20 30 BEEDLO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000873186935 589990531 /nfs/dbraw/zinc/99/05/31/589990531.db2.gz GSIYMBXSLJXEMT-JTQLQIEISA-N 1 2 242.282 2.101 20 30 BEEDLO C=CC[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000125233736 590157289 /nfs/dbraw/zinc/15/72/89/590157289.db2.gz ZAKMQEYCGYYFCO-ZJUUUORDSA-N 1 2 213.321 2.271 20 30 BEEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876691047 590231015 /nfs/dbraw/zinc/23/10/15/590231015.db2.gz YMBFELQRHSIVOH-QMMMGPOBSA-N 1 2 240.253 2.404 20 30 BEEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876691047 590231016 /nfs/dbraw/zinc/23/10/16/590231016.db2.gz YMBFELQRHSIVOH-QMMMGPOBSA-N 1 2 240.253 2.404 20 30 BEEDLO C[C@@H](C#N)C[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000877321779 590316632 /nfs/dbraw/zinc/31/66/32/590316632.db2.gz RXBYAFYNUKJGHB-ZETCQYMHSA-N 1 2 227.670 2.123 20 30 BEEDLO COc1c(C)cnc(C[NH2+]CC(C)(C)C#N)c1C ZINC000877322905 590316931 /nfs/dbraw/zinc/31/69/31/590316931.db2.gz FSTLFLQRIBURBS-UHFFFAOYSA-N 1 2 247.342 2.346 20 30 BEEDLO COc1c(C)c[nH+]c(CNCC(C)(C)C#N)c1C ZINC000877322905 590316934 /nfs/dbraw/zinc/31/69/34/590316934.db2.gz FSTLFLQRIBURBS-UHFFFAOYSA-N 1 2 247.342 2.346 20 30 BEEDLO C=CC[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877426095 590325304 /nfs/dbraw/zinc/32/53/04/590325304.db2.gz JXUKQUXMYBQWNI-UHFFFAOYSA-N 1 2 221.691 2.224 20 30 BEEDLO C=CC[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877426095 590325306 /nfs/dbraw/zinc/32/53/06/590325306.db2.gz JXUKQUXMYBQWNI-UHFFFAOYSA-N 1 2 221.691 2.224 20 30 BEEDLO C=CC[N@@H+](C)Cc1nc(Cl)cs1 ZINC000877427049 590325338 /nfs/dbraw/zinc/32/53/38/590325338.db2.gz UCTRUEPJYQXGRW-UHFFFAOYSA-N 1 2 202.710 2.414 20 30 BEEDLO C=CC[N@H+](C)Cc1nc(Cl)cs1 ZINC000877427049 590325341 /nfs/dbraw/zinc/32/53/41/590325341.db2.gz UCTRUEPJYQXGRW-UHFFFAOYSA-N 1 2 202.710 2.414 20 30 BEEDLO Cc1cccc(O)c1C[N@@H+]1CC[C@@](F)(C#N)C1 ZINC000877465740 590333348 /nfs/dbraw/zinc/33/33/48/590333348.db2.gz WDQOOLWMHHNVGR-CYBMUJFWSA-N 1 2 234.274 2.138 20 30 BEEDLO Cc1cccc(O)c1C[N@H+]1CC[C@@](F)(C#N)C1 ZINC000877465740 590333351 /nfs/dbraw/zinc/33/33/51/590333351.db2.gz WDQOOLWMHHNVGR-CYBMUJFWSA-N 1 2 234.274 2.138 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1nc(Cl)cs1 ZINC000877480226 590337327 /nfs/dbraw/zinc/33/73/27/590337327.db2.gz NXRGNFYANOOTKF-ZETCQYMHSA-N 1 2 214.721 2.250 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1nc(Cl)cs1 ZINC000877480226 590337328 /nfs/dbraw/zinc/33/73/28/590337328.db2.gz NXRGNFYANOOTKF-ZETCQYMHSA-N 1 2 214.721 2.250 20 30 BEEDLO C#C[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877480313 590337608 /nfs/dbraw/zinc/33/76/08/590337608.db2.gz RITSOELCXBYONP-QMMMGPOBSA-N 1 2 225.238 2.124 20 30 BEEDLO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877480313 590337609 /nfs/dbraw/zinc/33/76/09/590337609.db2.gz RITSOELCXBYONP-QMMMGPOBSA-N 1 2 225.238 2.124 20 30 BEEDLO C=C(Cl)C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)C(=O)OCC ZINC000877672081 590389042 /nfs/dbraw/zinc/38/90/42/590389042.db2.gz VXFFIFRKPPCVMI-LSJOCFKGSA-N 1 2 245.750 2.306 20 30 BEEDLO C=C(Cl)C[C@H]([NH2+]C(C)C)C(=O)OCC ZINC000877672134 590389393 /nfs/dbraw/zinc/38/93/93/590389393.db2.gz WYXJGPQCZBVNIP-VIFPVBQESA-N 1 2 219.712 2.059 20 30 BEEDLO COC(=O)CC[N@H+](CC#N)C[C@H](C)C(C)(C)C ZINC000877710798 590398897 /nfs/dbraw/zinc/39/88/97/590398897.db2.gz VFLQGCHMHVRYRT-NSHDSACASA-N 1 2 240.347 2.057 20 30 BEEDLO COC(=O)CC[N@@H+](CC#N)C[C@H](C)C(C)(C)C ZINC000877710798 590398899 /nfs/dbraw/zinc/39/88/99/590398899.db2.gz VFLQGCHMHVRYRT-NSHDSACASA-N 1 2 240.347 2.057 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccsc1 ZINC000877920914 590447152 /nfs/dbraw/zinc/44/71/52/590447152.db2.gz BMGMZZIWNMBWTQ-LLVKDONJSA-N 1 2 239.340 2.298 20 30 BEEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccsc1 ZINC000877920914 590447153 /nfs/dbraw/zinc/44/71/53/590447153.db2.gz BMGMZZIWNMBWTQ-LLVKDONJSA-N 1 2 239.340 2.298 20 30 BEEDLO C#CCCCCC[N@@H+](CCOC)CC(F)F ZINC000878051607 590482212 /nfs/dbraw/zinc/48/22/12/590482212.db2.gz KIOSLJHFWGOAHA-UHFFFAOYSA-N 1 2 233.302 2.394 20 30 BEEDLO C#CCCCCC[N@H+](CCOC)CC(F)F ZINC000878051607 590482213 /nfs/dbraw/zinc/48/22/13/590482213.db2.gz KIOSLJHFWGOAHA-UHFFFAOYSA-N 1 2 233.302 2.394 20 30 BEEDLO C=CC(C)(C)CC(=O)NCCNc1cccc[nH+]1 ZINC000878081350 590488325 /nfs/dbraw/zinc/48/83/25/590488325.db2.gz KIQGEGYKTBCZTG-UHFFFAOYSA-N 1 2 247.342 2.212 20 30 BEEDLO CC(C)[C@@H](O)CC[N@H+](CC#N)C1CCCC1 ZINC000878120442 590498723 /nfs/dbraw/zinc/49/87/23/590498723.db2.gz LIEZYHZGRICOCM-ZDUSSCGKSA-N 1 2 224.348 2.162 20 30 BEEDLO CC(C)[C@@H](O)CC[N@@H+](CC#N)C1CCCC1 ZINC000878120442 590498724 /nfs/dbraw/zinc/49/87/24/590498724.db2.gz LIEZYHZGRICOCM-ZDUSSCGKSA-N 1 2 224.348 2.162 20 30 BEEDLO N#Cc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)o1 ZINC000878322121 590546516 /nfs/dbraw/zinc/54/65/16/590546516.db2.gz XDUPXOSBNOFETM-UHFFFAOYSA-N 1 2 238.237 2.382 20 30 BEEDLO CC1(C#N)C[NH+](CC2CC3(CCC3)C2)C1 ZINC000878545701 590589941 /nfs/dbraw/zinc/58/99/41/590589941.db2.gz MSBIJPXVOYUKTR-UHFFFAOYSA-N 1 2 204.317 2.412 20 30 BEEDLO N#Cc1ccc(C[N@H+]2CCC=C(Cl)C2)nc1 ZINC000878791710 590623102 /nfs/dbraw/zinc/62/31/02/590623102.db2.gz IFMQLRKUEZBRQK-UHFFFAOYSA-N 1 2 233.702 2.282 20 30 BEEDLO N#Cc1ccc(C[N@@H+]2CCC=C(Cl)C2)nc1 ZINC000878791710 590623104 /nfs/dbraw/zinc/62/31/04/590623104.db2.gz IFMQLRKUEZBRQK-UHFFFAOYSA-N 1 2 233.702 2.282 20 30 BEEDLO Cc1ccc(C[NH2+][C@@H](C)CC#N)nc1Cl ZINC000878820901 590627840 /nfs/dbraw/zinc/62/78/40/590627840.db2.gz QDUSFLTVRUYTDZ-VIFPVBQESA-N 1 2 223.707 2.435 20 30 BEEDLO C#CCCCCC[NH2+][C@@](C)(CCF)C(=O)OC ZINC000878952110 590660334 /nfs/dbraw/zinc/66/03/34/590660334.db2.gz UWURVDWNCZNCQD-ZDUSSCGKSA-N 1 2 243.322 2.061 20 30 BEEDLO CC[N@@H+](CCCOC(F)(F)F)[C@@H](C)C#N ZINC000878988402 590670070 /nfs/dbraw/zinc/67/00/70/590670070.db2.gz OTAJELVXCHHROD-QMMMGPOBSA-N 1 2 224.226 2.147 20 30 BEEDLO CC[N@H+](CCCOC(F)(F)F)[C@@H](C)C#N ZINC000878988402 590670069 /nfs/dbraw/zinc/67/00/69/590670069.db2.gz OTAJELVXCHHROD-QMMMGPOBSA-N 1 2 224.226 2.147 20 30 BEEDLO Cc1oncc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000879309130 590733352 /nfs/dbraw/zinc/73/33/52/590733352.db2.gz DKYKQBQQCATVJM-ZYHUDNBSSA-N 1 2 219.288 2.107 20 30 BEEDLO Cc1oncc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000879309130 590733357 /nfs/dbraw/zinc/73/33/57/590733357.db2.gz DKYKQBQQCATVJM-ZYHUDNBSSA-N 1 2 219.288 2.107 20 30 BEEDLO C=CC[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC000879597003 590825621 /nfs/dbraw/zinc/82/56/21/590825621.db2.gz TXCKDWSWENMDAK-UHFFFAOYSA-N 1 2 238.281 2.273 20 30 BEEDLO CC(C)(O)[C@H]1CC[N@@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000880149120 590946380 /nfs/dbraw/zinc/94/63/80/590946380.db2.gz VOJCZEOOIOEGRK-KBPBESRZSA-N 1 2 244.338 2.344 20 30 BEEDLO CC(C)(O)[C@H]1CC[N@H+]([C@@H](C#N)c2ccccc2)C1 ZINC000880149120 590946384 /nfs/dbraw/zinc/94/63/84/590946384.db2.gz VOJCZEOOIOEGRK-KBPBESRZSA-N 1 2 244.338 2.344 20 30 BEEDLO C=C1CCC(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000888851941 591154139 /nfs/dbraw/zinc/15/41/39/591154139.db2.gz AXVXRLKSQOAJBQ-UHFFFAOYSA-N 1 2 230.311 2.497 20 30 BEEDLO C=CC1CCN(c2nc[nH+]c(C)c2C)CC1 ZINC000881964202 591283991 /nfs/dbraw/zinc/28/39/91/591283991.db2.gz LOLKXQKWYQPGCF-UHFFFAOYSA-N 1 2 217.316 2.496 20 30 BEEDLO C#CCCCCNc1nc[nH+]c(C)c1C ZINC000882084459 591295486 /nfs/dbraw/zinc/29/54/86/591295486.db2.gz DOTPPITXYRPBHE-UHFFFAOYSA-N 1 2 203.289 2.309 20 30 BEEDLO C=CC[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000882089007 591295988 /nfs/dbraw/zinc/29/59/88/591295988.db2.gz NANJYUUHIYOGRQ-QMMMGPOBSA-N 1 2 234.328 2.420 20 30 BEEDLO C#CCCCC[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000130782458 591519537 /nfs/dbraw/zinc/51/95/37/591519537.db2.gz BIHXFLPPJVSRHH-CQSZACIVSA-N 1 2 245.322 2.294 20 30 BEEDLO C=CCC[C@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCO1 ZINC000883187449 591566349 /nfs/dbraw/zinc/56/63/49/591566349.db2.gz OHOGFKZMODVYER-STQMWFEESA-N 1 2 235.331 2.013 20 30 BEEDLO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]c(CC)n1 ZINC000884535789 591970424 /nfs/dbraw/zinc/97/04/24/591970424.db2.gz LPSADQZZKUMPFP-QWRGUYRKSA-N 1 2 233.315 2.042 20 30 BEEDLO C=C(Br)C[NH2+]Cc1ccc(C#N)o1 ZINC000135484765 592014700 /nfs/dbraw/zinc/01/47/00/592014700.db2.gz ZNTXJBZGAYRRQC-UHFFFAOYSA-N 1 2 241.088 2.149 20 30 BEEDLO C=CCC1(O)CCN(c2nc[nH+]c(C)c2C)CC1 ZINC000884724934 592015804 /nfs/dbraw/zinc/01/58/04/592015804.db2.gz NMBJLHCVRUPNBS-UHFFFAOYSA-N 1 2 247.342 2.001 20 30 BEEDLO C=C(Cl)C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000135729742 592042163 /nfs/dbraw/zinc/04/21/63/592042163.db2.gz BHHKAHLOXCDVTO-JTQLQIEISA-N 1 2 203.713 2.240 20 30 BEEDLO C=C(Cl)C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000135729742 592042165 /nfs/dbraw/zinc/04/21/65/592042165.db2.gz BHHKAHLOXCDVTO-JTQLQIEISA-N 1 2 203.713 2.240 20 30 BEEDLO C=C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886003401 592127353 /nfs/dbraw/zinc/12/73/53/592127353.db2.gz BUMXFTLQWRQNMK-UHFFFAOYSA-N 1 2 233.271 2.142 20 30 BEEDLO N#Cc1ccc(C[NH2+]Cc2cc(C3CC3)no2)o1 ZINC000886272240 592192733 /nfs/dbraw/zinc/19/27/33/592192733.db2.gz KUGRJUAAEVDNNB-UHFFFAOYSA-N 1 2 243.266 2.306 20 30 BEEDLO C#CC[C@@H]1CC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000886356324 592215794 /nfs/dbraw/zinc/21/57/94/592215794.db2.gz YBJAUUYPKNSJDJ-LLVKDONJSA-N 1 2 233.315 2.038 20 30 BEEDLO C#CC[C@@H]1CC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000886356324 592215795 /nfs/dbraw/zinc/21/57/95/592215795.db2.gz YBJAUUYPKNSJDJ-LLVKDONJSA-N 1 2 233.315 2.038 20 30 BEEDLO C#CC[C@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000886358162 592216620 /nfs/dbraw/zinc/21/66/20/592216620.db2.gz QFHKGJDZGQCWEV-QMMMGPOBSA-N 1 2 223.213 2.232 20 30 BEEDLO C#CC[C@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000886358162 592216622 /nfs/dbraw/zinc/21/66/22/592216622.db2.gz QFHKGJDZGQCWEV-QMMMGPOBSA-N 1 2 223.213 2.232 20 30 BEEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2C[C@H](OC)C2)c1 ZINC000887268054 592473410 /nfs/dbraw/zinc/47/34/10/592473410.db2.gz ATLQIOZKKFYDCX-ANUNBYOGSA-N 1 2 249.310 2.245 20 30 BEEDLO C=CC[C@H](CC)Nc1cc(NC)nc[nH+]1 ZINC000893683871 635446370 /nfs/dbraw/zinc/44/63/70/635446370.db2.gz MCIOYSPIRFZSBN-VIFPVBQESA-N 1 2 206.293 2.285 20 30 BEEDLO N#C[C@@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000932152323 635602858 /nfs/dbraw/zinc/60/28/58/635602858.db2.gz PDEGHDFNVQIZTG-LBPRGKRZSA-N 1 2 240.310 2.298 20 30 BEEDLO N#C[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000932152323 635602864 /nfs/dbraw/zinc/60/28/64/635602864.db2.gz PDEGHDFNVQIZTG-LBPRGKRZSA-N 1 2 240.310 2.298 20 30 BEEDLO C#CCC1([NH2+]Cc2noc(C(C)(C)C)n2)CCC1 ZINC000933303987 631216773 /nfs/dbraw/zinc/21/67/73/631216773.db2.gz WFIYSPJXUTUQJO-UHFFFAOYSA-N 1 2 247.342 2.403 20 30 BEEDLO C#CCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000891534612 631386878 /nfs/dbraw/zinc/38/68/78/631386878.db2.gz NICBJOVSDRVKHK-UHFFFAOYSA-N 1 2 201.273 2.098 20 30 BEEDLO CC[C@H]([NH2+]C[C@H](C)OC)c1cccc(C#N)c1O ZINC000926244342 631494946 /nfs/dbraw/zinc/49/49/46/631494946.db2.gz JCCIHIRJNGWJBF-GWCFXTLKSA-N 1 2 248.326 2.339 20 30 BEEDLO C=C(C)CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000092892925 631562256 /nfs/dbraw/zinc/56/22/56/631562256.db2.gz COMDVWYJFNMTGB-UHFFFAOYSA-N 1 2 222.263 2.347 20 30 BEEDLO Cc1cc(C[NH2+][C@@H](C)CC#N)cc(Cl)n1 ZINC000308830098 631677518 /nfs/dbraw/zinc/67/75/18/631677518.db2.gz FVXVYQACRQJZAN-QMMMGPOBSA-N 1 2 223.707 2.435 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc(CC)s1 ZINC000934460534 631848516 /nfs/dbraw/zinc/84/85/16/631848516.db2.gz QBHDKMKEANNGHW-VIFPVBQESA-N 1 2 223.345 2.251 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc(CC)s1 ZINC000934460534 631848518 /nfs/dbraw/zinc/84/85/18/631848518.db2.gz QBHDKMKEANNGHW-VIFPVBQESA-N 1 2 223.345 2.251 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc(C)n1C1CC1 ZINC000934459700 631850689 /nfs/dbraw/zinc/85/06/89/631850689.db2.gz HAXVDQCUCMPNDC-NSHDSACASA-N 1 2 232.331 2.072 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc(C)n1C1CC1 ZINC000934459700 631850692 /nfs/dbraw/zinc/85/06/92/631850692.db2.gz HAXVDQCUCMPNDC-NSHDSACASA-N 1 2 232.331 2.072 20 30 BEEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000934460192 631851646 /nfs/dbraw/zinc/85/16/46/631851646.db2.gz OODWFSHHJSYFNY-JTQLQIEISA-N 1 2 219.313 2.165 20 30 BEEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(C#N)cs1 ZINC000934460192 631851648 /nfs/dbraw/zinc/85/16/48/631851648.db2.gz OODWFSHHJSYFNY-JTQLQIEISA-N 1 2 219.313 2.165 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc(C)n1CCC ZINC000934460342 631854564 /nfs/dbraw/zinc/85/45/64/631854564.db2.gz LKIHVOSOAYVIQY-GFCCVEGCSA-N 1 2 234.347 2.147 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(C)n1CCC ZINC000934460342 631854565 /nfs/dbraw/zinc/85/45/65/631854565.db2.gz LKIHVOSOAYVIQY-GFCCVEGCSA-N 1 2 234.347 2.147 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000934461434 631857494 /nfs/dbraw/zinc/85/74/94/631857494.db2.gz XZAYYRWTWAOXAU-LLVKDONJSA-N 1 2 248.282 2.451 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000934461434 631857496 /nfs/dbraw/zinc/85/74/96/631857496.db2.gz XZAYYRWTWAOXAU-LLVKDONJSA-N 1 2 248.282 2.451 20 30 BEEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C(N)=O)c1ccc(F)cc1 ZINC000934467644 631862269 /nfs/dbraw/zinc/86/22/69/631862269.db2.gz PJJGOSCDDYOQCN-OLZOCXBDSA-N 1 2 248.301 2.003 20 30 BEEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C(N)=O)c1ccc(F)cc1 ZINC000934467644 631862274 /nfs/dbraw/zinc/86/22/74/631862274.db2.gz PJJGOSCDDYOQCN-OLZOCXBDSA-N 1 2 248.301 2.003 20 30 BEEDLO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000161959120 632464508 /nfs/dbraw/zinc/46/45/08/632464508.db2.gz ADLYWDBTEGOPSB-MFKMUULPSA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000161959120 632464513 /nfs/dbraw/zinc/46/45/13/632464513.db2.gz ADLYWDBTEGOPSB-MFKMUULPSA-N 1 2 236.290 2.093 20 30 BEEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccoc1 ZINC000309818083 632673984 /nfs/dbraw/zinc/67/39/84/632673984.db2.gz VSESAADKSPMMRO-QMMMGPOBSA-N 1 2 233.296 2.459 20 30 BEEDLO CC[C@@H](C)CO[NH+]=C(N)c1ccccc1 ZINC000178124176 632948245 /nfs/dbraw/zinc/94/82/45/632948245.db2.gz NSVOOTAFZOFLRG-SNVBAGLBSA-N 1 2 206.289 2.370 20 30 BEEDLO CCC(CC)C[N@H+](CCC#N)CC1OCCO1 ZINC000182391960 633944745 /nfs/dbraw/zinc/94/47/45/633944745.db2.gz WXOYEXIRZDKOIQ-UHFFFAOYSA-N 1 2 240.347 2.011 20 30 BEEDLO CCC(CC)C[N@@H+](CCC#N)CC1OCCO1 ZINC000182391960 633944750 /nfs/dbraw/zinc/94/47/50/633944750.db2.gz WXOYEXIRZDKOIQ-UHFFFAOYSA-N 1 2 240.347 2.011 20 30 BEEDLO Cc1conc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000259871454 635263741 /nfs/dbraw/zinc/26/37/41/635263741.db2.gz CQMRUTZPUAVWAB-LLVKDONJSA-N 1 2 219.288 2.109 20 30 BEEDLO Cc1conc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000259871454 635263749 /nfs/dbraw/zinc/26/37/49/635263749.db2.gz CQMRUTZPUAVWAB-LLVKDONJSA-N 1 2 219.288 2.109 20 30 BEEDLO C=CCCCCCCNc1nc(C)[nH+]c(N)n1 ZINC000310176478 635305454 /nfs/dbraw/zinc/30/54/54/635305454.db2.gz VRJIGNPDLURLDJ-UHFFFAOYSA-N 1 2 235.335 2.311 20 30 BEEDLO C=CCCCCCCNc1nc(N)nc(C)[nH+]1 ZINC000310176478 635305458 /nfs/dbraw/zinc/30/54/58/635305458.db2.gz VRJIGNPDLURLDJ-UHFFFAOYSA-N 1 2 235.335 2.311 20 30 BEEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000067647672 636758118 /nfs/dbraw/zinc/75/81/18/636758118.db2.gz LKBVMJZNTPOOIU-AATRIKPKSA-N 1 2 216.215 2.445 20 30 BEEDLO C=C1CC(C)(C(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000898911159 637065289 /nfs/dbraw/zinc/06/52/89/637065289.db2.gz MENGLCKBEWGOBK-UHFFFAOYSA-N 1 2 247.342 2.091 20 30 BEEDLO C#C[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000904909153 637522790 /nfs/dbraw/zinc/52/27/90/637522790.db2.gz QBMILECWNBSCNU-NSHDSACASA-N 1 2 230.311 2.101 20 30 BEEDLO COC(=O)CC(C)(C)C/[NH+]=C/c1ccccc1O ZINC000905000971 637538999 /nfs/dbraw/zinc/53/89/99/637538999.db2.gz BQCSWWFAQPVANE-OQLLNIDSSA-N 1 2 249.310 2.400 20 30 BEEDLO C=CC[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000905189616 637668106 /nfs/dbraw/zinc/66/81/06/637668106.db2.gz NTWATEWVAMCUGJ-INIZCTEOSA-N 1 2 234.324 2.077 20 30 BEEDLO COc1cccc2c1OCCC[C@H]2[NH2+]CCC#N ZINC000905436054 637814760 /nfs/dbraw/zinc/81/47/60/637814760.db2.gz VZNJNWAZYLWXPR-GFCCVEGCSA-N 1 2 246.310 2.412 20 30 BEEDLO C#CC[N@H+](Cn1cc(C)cnc1=S)C(C)C ZINC000905743480 637905105 /nfs/dbraw/zinc/90/51/05/637905105.db2.gz SIDLCXLIELECPR-UHFFFAOYSA-N 1 2 235.356 2.222 20 30 BEEDLO C#CC[N@@H+](Cn1cc(C)cnc1=S)C(C)C ZINC000905743480 637905106 /nfs/dbraw/zinc/90/51/06/637905106.db2.gz SIDLCXLIELECPR-UHFFFAOYSA-N 1 2 235.356 2.222 20 30 BEEDLO C=CC[C@H]([NH2+]CCSC(C)(C)C)C(=O)OC ZINC000905753596 637913192 /nfs/dbraw/zinc/91/31/92/637913192.db2.gz BHVBITGSIMMLBV-JTQLQIEISA-N 1 2 245.388 2.225 20 30 BEEDLO C=CC[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C(=O)OC ZINC000905768551 637923054 /nfs/dbraw/zinc/92/30/54/637923054.db2.gz TYBNTDOSKCRXSJ-UWVGGRQHSA-N 1 2 247.285 2.272 20 30 BEEDLO CC[C@@H](C)[C@H]([NH2+]CC(C)(C)CC#N)C(=O)OC ZINC000905772490 637927728 /nfs/dbraw/zinc/92/77/28/637927728.db2.gz OYRVKLQNXLNKGB-MNOVXSKESA-N 1 2 240.347 2.104 20 30 BEEDLO C=CC[C@H]([NH2+][C@@H]1C[C@@]1(C)C(C)C)C(=O)OC ZINC000905773364 637928542 /nfs/dbraw/zinc/92/85/42/637928542.db2.gz SXNPFPBELUUQAS-LOWVWBTDSA-N 1 2 225.332 2.128 20 30 BEEDLO C=CC[C@H]([NH2+][C@H]1C[C@@]1(C)C(C)C)C(=O)OC ZINC000905773363 637928751 /nfs/dbraw/zinc/92/87/51/637928751.db2.gz SXNPFPBELUUQAS-GVXVVHGQSA-N 1 2 225.332 2.128 20 30 BEEDLO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c(C)nn1 ZINC000931476819 640231834 /nfs/dbraw/zinc/23/18/34/640231834.db2.gz RQWSGGKMHPHAIT-GXTWGEPZSA-N 1 2 244.342 2.218 20 30 BEEDLO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c(C)nn1 ZINC000931476819 640231838 /nfs/dbraw/zinc/23/18/38/640231838.db2.gz RQWSGGKMHPHAIT-GXTWGEPZSA-N 1 2 244.342 2.218 20 30 BEEDLO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932156936 640444437 /nfs/dbraw/zinc/44/44/37/640444437.db2.gz TXUCKMWCWZFSJP-DZGCQCFKSA-N 1 2 244.338 2.264 20 30 BEEDLO Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932156936 640444444 /nfs/dbraw/zinc/44/44/44/640444444.db2.gz TXUCKMWCWZFSJP-DZGCQCFKSA-N 1 2 244.338 2.264 20 30 BEEDLO CCC#C[C@H](C)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932358316 640498720 /nfs/dbraw/zinc/49/87/20/640498720.db2.gz WOLQBPFFTQGAKY-WCQYABFASA-N 1 2 229.327 2.319 20 30 BEEDLO N#CCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932377358 640506505 /nfs/dbraw/zinc/50/65/05/640506505.db2.gz BGEHPNBBRRGFKA-LBPRGKRZSA-N 1 2 201.273 2.036 20 30 BEEDLO C#CC[N@@H+](Cc1cc(C)on1)C(C)(C)C ZINC000932462305 640536053 /nfs/dbraw/zinc/53/60/53/640536053.db2.gz UVDKMZSYTOAQAI-UHFFFAOYSA-N 1 2 206.289 2.217 20 30 BEEDLO C#CC[N@H+](Cc1cc(C)on1)C(C)(C)C ZINC000932462305 640536056 /nfs/dbraw/zinc/53/60/56/640536056.db2.gz UVDKMZSYTOAQAI-UHFFFAOYSA-N 1 2 206.289 2.217 20 30 BEEDLO C#CC[N@@H+](Cc1ncc(Cl)n1C)C(C)(C)C ZINC000932464503 640536972 /nfs/dbraw/zinc/53/69/72/640536972.db2.gz QOCHUDUZMSDYEI-UHFFFAOYSA-N 1 2 239.750 2.307 20 30 BEEDLO C#CC[N@H+](Cc1ncc(Cl)n1C)C(C)(C)C ZINC000932464503 640536976 /nfs/dbraw/zinc/53/69/76/640536976.db2.gz QOCHUDUZMSDYEI-UHFFFAOYSA-N 1 2 239.750 2.307 20 30 BEEDLO C#CCC1([NH2+][C@@H](C)C(=O)OCCCC)CCC1 ZINC000933299164 640701196 /nfs/dbraw/zinc/70/11/96/640701196.db2.gz QCDOMPAJYXMUHP-LBPRGKRZSA-N 1 2 237.343 2.254 20 30 BEEDLO C=CC[N@@H+](CC(=O)OCC)[C@@H]1C=CCCC1 ZINC000169230917 640845878 /nfs/dbraw/zinc/84/58/78/640845878.db2.gz JBYHFQPLFAITNT-GFCCVEGCSA-N 1 2 223.316 2.146 20 30 BEEDLO C=CC[N@H+](CC(=O)OCC)[C@@H]1C=CCCC1 ZINC000169230917 640845892 /nfs/dbraw/zinc/84/58/92/640845892.db2.gz JBYHFQPLFAITNT-GFCCVEGCSA-N 1 2 223.316 2.146 20 30 BEEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cncs1 ZINC000934201895 641101247 /nfs/dbraw/zinc/10/12/47/641101247.db2.gz WDZXHQILMZEDDM-ZJUUUORDSA-N 1 2 234.328 2.237 20 30 BEEDLO C#C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)co1 ZINC000934510566 641178193 /nfs/dbraw/zinc/17/81/93/641178193.db2.gz AIHCUTBCFYSPDB-GFCCVEGCSA-N 1 2 247.294 2.054 20 30 BEEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)co1 ZINC000934510566 641178194 /nfs/dbraw/zinc/17/81/94/641178194.db2.gz AIHCUTBCFYSPDB-GFCCVEGCSA-N 1 2 247.294 2.054 20 30 BEEDLO C#CC[NH+](CC#C)Cc1ccccc1OCC ZINC000174528994 641300140 /nfs/dbraw/zinc/30/01/40/641300140.db2.gz OVKBTBBEWKFLDD-UHFFFAOYSA-N 1 2 227.307 2.154 20 30 BEEDLO C=CC[N@@H+](Cc1nc(CC)no1)C(C)C ZINC000917071877 642004236 /nfs/dbraw/zinc/00/42/36/642004236.db2.gz ZWJUIFOYVIUPRV-UHFFFAOYSA-N 1 2 209.293 2.028 20 30 BEEDLO C=CC[N@H+](Cc1nc(CC)no1)C(C)C ZINC000917071877 642004239 /nfs/dbraw/zinc/00/42/39/642004239.db2.gz ZWJUIFOYVIUPRV-UHFFFAOYSA-N 1 2 209.293 2.028 20 30 BEEDLO C=C(Cl)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000306332079 642331079 /nfs/dbraw/zinc/33/10/79/642331079.db2.gz DJTHYADQJHSZJV-AEJSXWLSSA-N 1 2 203.713 2.237 20 30 BEEDLO C=C(Cl)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000306332079 642331085 /nfs/dbraw/zinc/33/10/85/642331085.db2.gz DJTHYADQJHSZJV-AEJSXWLSSA-N 1 2 203.713 2.237 20 30 BEEDLO Cc1nnc(C)n1[NH+]=C/C=C/c1ccco1 ZINC000254307108 642709230 /nfs/dbraw/zinc/70/92/30/642709230.db2.gz KGTBJYDTRLYHMO-WEHZAMEESA-N 1 2 216.244 2.035 20 30 BEEDLO C=C(C)C[N@H+](C)CN1Cc2ccc(F)cc2C1=O ZINC000182615675 643042196 /nfs/dbraw/zinc/04/21/96/643042196.db2.gz VQBHYFXJSQBEPR-UHFFFAOYSA-N 1 2 248.301 2.247 20 30 BEEDLO C=C(C)C[N@@H+](C)CN1Cc2ccc(F)cc2C1=O ZINC000182615675 643042204 /nfs/dbraw/zinc/04/22/04/643042204.db2.gz VQBHYFXJSQBEPR-UHFFFAOYSA-N 1 2 248.301 2.247 20 30 BEEDLO C=C(C)C[N@H+](C)Cn1cc(C)cnc1=S ZINC000182613278 643043261 /nfs/dbraw/zinc/04/32/61/643043261.db2.gz YKCGHEQLCJQXPR-UHFFFAOYSA-N 1 2 223.345 2.386 20 30 BEEDLO C=C(C)C[N@@H+](C)Cn1cc(C)cnc1=S ZINC000182613278 643043268 /nfs/dbraw/zinc/04/32/68/643043268.db2.gz YKCGHEQLCJQXPR-UHFFFAOYSA-N 1 2 223.345 2.386 20 30 BEEDLO C#CCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000172779823 643585867 /nfs/dbraw/zinc/58/58/67/643585867.db2.gz HAVUJAYOQBLPCW-UHFFFAOYSA-N 1 2 215.300 2.488 20 30 BEEDLO C=C[C@](C)(CC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922635679 644047302 /nfs/dbraw/zinc/04/73/02/644047302.db2.gz VKQLODKBRRJRMA-CYBMUJFWSA-N 1 2 234.299 2.309 20 30 BEEDLO Cc1noc(C)c1CO[NH+]=C(N)c1ccccc1 ZINC000192977932 644203814 /nfs/dbraw/zinc/20/38/14/644203814.db2.gz VKEZNJBNQZHORM-UHFFFAOYSA-N 1 2 245.282 2.129 20 30 BEEDLO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)CC#N ZINC000809572924 644890889 /nfs/dbraw/zinc/89/08/89/644890889.db2.gz WNVNJCIHQFVLDD-CYBMUJFWSA-N 1 2 248.301 2.088 20 30 BEEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)CC#N ZINC000809572924 644890893 /nfs/dbraw/zinc/89/08/93/644890893.db2.gz WNVNJCIHQFVLDD-CYBMUJFWSA-N 1 2 248.301 2.088 20 30 BEEDLO C#Cc1cccc(C[NH2+][C@H](C)c2nonc2C)c1 ZINC000926551258 645274010 /nfs/dbraw/zinc/27/40/10/645274010.db2.gz RQYKUWJBGRHONN-SNVBAGLBSA-N 1 2 241.294 2.210 20 30 BEEDLO C=C1CCC(C(=O)NCc2ccc(N)[nH+]c2)CC1 ZINC000927777324 645656288 /nfs/dbraw/zinc/65/62/88/645656288.db2.gz KZUAXGFQWGUKFQ-UHFFFAOYSA-N 1 2 245.326 2.026 20 30 BEEDLO C#CCCCCCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000877459043 645796841 /nfs/dbraw/zinc/79/68/41/645796841.db2.gz GCPXAPUKEAXHHN-LBPRGKRZSA-N 1 2 245.313 2.272 20 30 BEEDLO C#CCCCCCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000877459043 645796844 /nfs/dbraw/zinc/79/68/44/645796844.db2.gz GCPXAPUKEAXHHN-LBPRGKRZSA-N 1 2 245.313 2.272 20 30 BEEDLO Cc1cccc([C@H](O)C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000929472718 646130043 /nfs/dbraw/zinc/13/00/43/646130043.db2.gz RGUNQROPEHPPPT-TZMCWYRMSA-N 1 2 232.327 2.120 20 30 BEEDLO Cc1cccc([C@H](O)C[N@H+](C)C[C@H](C)C#N)c1 ZINC000929472718 646130047 /nfs/dbraw/zinc/13/00/47/646130047.db2.gz RGUNQROPEHPPPT-TZMCWYRMSA-N 1 2 232.327 2.120 20 30 BEEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(N)nc1 ZINC000929691834 646246634 /nfs/dbraw/zinc/24/66/34/646246634.db2.gz MJXPHNVHURKTNV-UHFFFAOYSA-N 1 2 246.358 2.426 20 30 BEEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(N)nc1 ZINC000929691834 646246638 /nfs/dbraw/zinc/24/66/38/646246638.db2.gz MJXPHNVHURKTNV-UHFFFAOYSA-N 1 2 246.358 2.426 20 30 BEEDLO Cc1cccc([C@H](O)C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000929830264 646347623 /nfs/dbraw/zinc/34/76/23/646347623.db2.gz CSURFGPHVOPPSN-TZMCWYRMSA-N 1 2 232.327 2.262 20 30 BEEDLO Cc1cccc([C@H](O)C[N@H+](C)[C@H](C)CC#N)c1 ZINC000929830264 646347630 /nfs/dbraw/zinc/34/76/30/646347630.db2.gz CSURFGPHVOPPSN-TZMCWYRMSA-N 1 2 232.327 2.262 20 30 BEEDLO CC[C@H]([NH2+]CCCCO)c1cccc(C#N)c1O ZINC000926305511 646614593 /nfs/dbraw/zinc/61/45/93/646614593.db2.gz UGGFNMNSOAEVGM-ZDUSSCGKSA-N 1 2 248.326 2.077 20 30 BEEDLO CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H](C#N)C2)OC1 ZINC000713619856 712467931 /nfs/dbraw/zinc/46/79/31/712467931.db2.gz OVCHBUSTBUFYLZ-QWHCGFSZSA-N 1 2 236.359 2.427 20 30 BEEDLO CC1(C)CC[C@H](C[N@H+]2CCC[C@@H](C#N)C2)OC1 ZINC000713619856 712467932 /nfs/dbraw/zinc/46/79/32/712467932.db2.gz OVCHBUSTBUFYLZ-QWHCGFSZSA-N 1 2 236.359 2.427 20 30 BEEDLO C=C(C)C[NH2+][C@H](C(=O)OCC)C(C)(C)C ZINC000380170861 712705561 /nfs/dbraw/zinc/70/55/61/712705561.db2.gz HGYXVHOFUGWTPC-SNVBAGLBSA-N 1 2 213.321 2.130 20 30 BEEDLO Cc1ncsc1CC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932154860 712716417 /nfs/dbraw/zinc/71/64/17/712716417.db2.gz PNIWTKVUAMKQKI-LLVKDONJSA-N 1 2 235.356 2.230 20 30 BEEDLO Cc1ncsc1CC[N@H+]1CCC[C@H](C#N)C1 ZINC000932154860 712716420 /nfs/dbraw/zinc/71/64/20/712716420.db2.gz PNIWTKVUAMKQKI-LLVKDONJSA-N 1 2 235.356 2.230 20 30 BEEDLO