0 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,0,0,0,0,0|3,1,0]=4 3 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.66 C=C(C)CSc1cnco1 62a_100000748629_100020591547 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.66 C=C(C)CSc1cnco1 62a_100020591547_100000211660 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.66 C=C(C)CSc1ncco1 62a_100000748629_100011787736 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 C=C(C)CSc1ncco1 62a_100011787736_100000211660 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.66 C=C(F)CSc1ccco1 62a_100000042424_100009814098 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.66 C=C(F)CSc1ccco1 62a_100009814098_100000042424 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,0,0,0,0|1,1,1]=3 12 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [0,0,0,0,0,0|2,1,1]=4 16 B10R1.66 CC(=O)CCN1CC=CC1 269982a_100015195280_100000053229 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,0,0|1,1,0]=2 22 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,0,0|1,1,0]=2 23 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.66 CC(=O)CCc1cn[nH]c1 1458a_100000070787_100000743252 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,0,0,0,0,0|2,1,0]=3 27 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,0,0,0,0,0|2,1,0]=3 29 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000070787_100000702546 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000176952_200000210301 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.66 CC(=O)CCn1ccnn1 1458a_100000741450_200000210301 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.66 CC(=O)CCn1cncn1 1458a_100000070787_100000731791 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.66 CC(=O)CCn1cncn1 1458a_100000242768_200000210301 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.66 CC(=O)NCc1c[nH]nn1 11a_100020620823_100015343762 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.66 CC(=O)NCc1c[nH]nn1 240690a_100020620823_100015343762 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.66 CC(=O)NCc1c[nH]nn1 527a_100020620823_100103153847 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.66 CC(=O)NCc1cc[nH]n1 11a_100000739516_100015343762 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.66 CC(=O)NCc1cc[nH]n1 240690a_100000739516_100015343762 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.66 CC(=O)NCc1cc[nH]n1 527a_100000739516_100103153847 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,0,0,0,0,0|1,0,0]=1 51 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,0,0,0,0,0|1,0,0]=1 52 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,0,0,0,0,0|1,0,0]=1 53 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,0,0,0,0,0|1,0,0]=1 54 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,0,0,0,0,0|1,1,0]=2 55 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,0,0,0,0,0|1,1,0]=2 56 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,0,0,0,0,0|1,1,0]=2 57 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,0,0,0,0,0|1,1,0]=2 58 B10R1.66 CC(=O)NCc1ccoc1 11a_100015206860_100015343762 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.66 CC(=O)NCc1ccoc1 1626a_100015206860_100015343762 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.66 CC(=O)NCc1ccoc1 240690a_100015206860_100015343762 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.66 CC(=O)NCc1ccoc1 527a_100015206860_100103153847 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.66 CC(=O)NCc1ccon1 11a_100000688301_100015343762 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.66 CC(=O)NCc1ccon1 240690a_100000688301_100015343762 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.66 CC(=O)NCc1ccon1 527a_100000688301_100103153847 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.66 CC(=O)NCc1cn[nH]c1 11a_100000737208_100015343762 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.66 CC(=O)NCc1cn[nH]c1 240690a_100000737208_100015343762 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,0,0,0,0,0|2,0,0]=2 74 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [0,0,0,0,0,0|2,1,0]=3 75 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [0,0,0,0,0,0|2,1,0]=3 76 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [0,0,0,0,0,0|2,1,0]=3 77 B10R1.66 CC(=O)NCc1cnoc1 11a_100016995009_100015343762 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.66 CC(=O)NCc1cnoc1 240690a_100016995009_100015343762 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,0,0,0,0,0|3,0,0]=3 85 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,0,0,0,0,0|2,0,0]=2 90 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,0,0,0,0,0|2,0,0]=2 91 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,0,0,0,0,0|2,0,0]=2 92 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,0,0,0,0,0|2,0,0]=2 93 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,0,0,0,0,0|2,1,0]=3 94 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,0,0,0,0,0|2,1,0]=3 95 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,0,0,0,0,0|2,1,0]=3 96 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,0,0,0,0,0|2,1,0]=3 97 B10R1.66 CC(=O)NCc1nnc[nH]1 11a_200015183720_100015343762 [0,0,0,0,0,0|4,0,0]=4 98 B10R1.66 CC(=O)NCc1nnc[nH]1 240690a_200015183720_100015343762 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.66 CC(=O)NCc1nnc[nH]1 527a_200015183720_100103153847 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.66 CC(=O)NN=C1C=CCC1 4a_100000189765_100000239507 [0,0,0,0,0,0|3,0,1]=4 101 B10R1.66 CC(=O)NN=C1CC=CC1 4a_100000189765_100000766571 [0,0,0,0,0,0|3,0,1]=4 102 B10R1.66 CC(=O)NNc1nccs1 22a_100011198208_100000070787 [0,0,0,0,0,0|3,1,0]=4 103 B10R1.66 CC(=O)OCN1CC=CC1 269982a_100015195280_100000076356 [0,0,0,0,0,0|2,0,1]=3 104 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [0,0,0,0,0,0|2,0,2]=4 105 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [0,0,0,0,0,0|3,0,1]=4 106 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [0,0,0,0,0,0|3,0,1]=4 107 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [0,0,0,0,0,0|2,0,1]=3 108 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [0,0,0,0,0,0|2,0,1]=3 109 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [0,0,0,0,0,0|2,0,1]=3 110 B10R1.66 CC(C)NCc1cccs1 207a_100138425928_100000209959 [0,0,0,0,0,0|2,1,1]=4 111 B10R1.66 CC(C)NCc1cccs1 2230a_100000211653_100000210206 [0,0,0,0,0,0|2,1,1]=4 112 B10R1.66 CC(C)NCc1ncco1 2230a_100016994969_100000210206 [0,0,0,0,0,0|3,0,1]=4 113 B10R1.66 CC(C)NCc1ncco1 2230a_100138425928_103436540062 [0,0,0,0,0,0|3,0,1]=4 114 B10R1.66 CC(C)NCc1ncco1 34a_100138425928_103436540062 [0,0,0,0,0,0|3,0,1]=4 115 B10R1.66 CC(C)OCc1c[nH]cn1 34a_100000212225_100000707719 [0,0,0,0,0,0|3,0,1]=4 116 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,0,0,0,0,0|1,0,1]=2 117 B10R1.66 CC(C)OCc1cccs1 34a_100000211240_100000210206 [0,0,0,0,0,0|1,1,1]=3 118 B10R1.66 CC(C)OCc1ccn[nH]1 34a_100000212225_100000728653 [0,0,0,0,0,0|3,0,1]=4 119 B10R1.66 CC(C)OCc1ccno1 34a_100000740478_100000210206 [0,0,0,0,0,0|2,0,1]=3 120 B10R1.66 CC(C)OCc1ccoc1 34a_100011215357_100000210206 [0,0,0,0,0,0|3,0,1]=4 121 B10R1.66 CC(C)OCc1ccon1 34a_100000212225_100000234950 [0,0,0,0,0,0|3,0,1]=4 122 B10R1.66 CC(C)OCc1ccsc1 34a_100000212225_100011261437 [0,0,0,0,0,0|3,0,1]=4 123 B10R1.66 CC(C)OCc1ccsc1 34a_100011215551_100000210206 [0,0,0,0,0,0|3,0,1]=4 124 B10R1.66 CC(C)OCc1cncs1 34a_100000212225_100015185245 [0,0,0,0,0,0|2,1,1]=4 125 B10R1.66 CC(C)OCc1cscn1 34a_100000212225_100000205941 [0,0,0,0,0,0|3,0,1]=4 126 B10R1.66 CC(C)OCc1ncc[nH]1 34a_100000212225_100016991755 [0,0,0,0,0,0|3,0,1]=4 127 B10R1.66 CC(C)OCc1ncco1 34a_100000062594_100000210206 [0,0,0,0,0,0|2,0,1]=3 128 B10R1.66 CC(C)OCc1ncco1 34a_100000212225_103436540062 [0,0,0,0,0,0|2,0,1]=3 129 B10R1.66 CC(C)OCc1nccs1 34a_100000212225_100015184050 [0,0,0,0,0,0|2,1,1]=4 130 B10R1.66 CC(C)OCn1cccn1 34a_100000731028_100000210206 [0,0,0,0,0,0|3,0,1]=4 131 B10R1.66 CC(C)SCc1ncco1 62a_100000210206_103436540062 [0,0,0,0,0,0|2,1,1]=4 132 B10R1.66 CC(C)SCc1ncco1 62a_103436540062_100000210206 [0,0,0,0,0,0|2,1,1]=4 133 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,0,0,0,0,0|1,0,3]=4 134 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [0,0,0,0,0,0|2,0,2]=4 135 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [0,0,0,0,0,0|2,0,2]=4 136 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,0,0,0,0,0|3,1,0]=4 137 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,0,0,0,0,0|3,1,0]=4 138 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [0,0,0,0,0,0|2,0,2]=4 139 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [0,0,0,0,0,0|2,0,2]=4 140 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,0,0,0,0,0|3,0,0]=3 141 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,0,0,0,0,0|3,0,0]=3 142 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,0,0,0,0,0|3,1,0]=4 143 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,0,0,0,0,0|3,1,0]=4 144 B10R1.66 NC(=O)CSc1cnco1 62a_100000747473_100020591547 [0,0,0,0,0,0|4,0,0]=4 145 B10R1.66 NC(=O)CSc1cnco1 62a_100020591547_100000747473 [0,0,0,0,0,0|4,0,0]=4 146 B10R1.66 NC(=O)CSc1ncco1 62a_100000747473_100011787736 [0,0,0,0,0,0|4,0,0]=4 147 B10R1.66 NC(=O)CSc1ncco1 62a_100011787736_100000747473 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,0,0,0,0,0|3,0,0]=3 149 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,0,0,0,0,0|3,0,0]=3 150 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,0,0,0,0,0|3,1,0]=4 151 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,0,0,0,0,0|3,1,0]=4 152 B10R1.66 O=C([O-])CSc1cnco1 62a_100020591547_100020667443 [0,0,0,0,0,0|4,0,0]=4 153 B10R1.66 O=C([O-])CSc1cnco1 62a_100020667443_100020591547 [0,0,0,0,0,0|4,0,0]=4 154 B10R1.66 O=C([O-])CSc1ncco1 62a_100011787736_100020667443 [0,0,0,0,0,0|4,0,0]=4 155 B10R1.66 O=C([O-])CSc1ncco1 62a_100020667443_100011787736 [0,0,0,0,0,0|4,0,0]=4 156 B10R1.66 O=[N+]([O-])CSc1ccco1 62a_100009814098_100000761209 [0,0,0,0,0,0|4,0,0]=4 157 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,0,0,0,0,0|3,0,1]=4 158 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,0,0,0,0|1,1,1]=3 159 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [0,0,0,0,0,0|3,0,1]=4 160 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [0,0,0,0,0,0|3,0,1]=4 161 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,0,0,0,0,0|3,0,1]=4 162 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [0,0,0,0,0,0|2,1,1]=4 163 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,0,0|3,0,0]=3 164 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,0,0|2,0,0]=2 165 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,0,0|1,0,0]=1 166 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,0,0|1,1,0]=2 167 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,0,0|3,0,0]=3 168 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,0,0,0,0,0|3,0,0]=3 169 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,0,0,0,0,0|2,1,0]=3 170 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,0,0,0,0,0|3,0,0]=3 171 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,0,0,0,0,0|2,1,0]=3 172 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,0,0,0|3,0,0]=3 173 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,0,0,0,0,0|3,0,0]=3 174 B10R1.66 [13CH3]C(=O)CCn1ccnc1 1458a_100000176952_200025704644 [0,0,0,0,0,0|4,0,0]=4 175 B10R1.66 [13CH3]C(=O)CCn1ccnn1 1458a_100000741450_200025704644 [0,0,0,0,0,0|4,0,0]=4 176 B10R1.66 [13CH3]C(=O)CCn1cncn1 1458a_100000242768_200025704644 [0,0,0,0,0,0|4,0,0]=4 177 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [1,0,0,0,0,0|2,0,1]=4 178 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,0,0|1,0,1]=3 180 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,0,0,0|1,1,1]=4 181 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,0,0,0,0,0|1,0,1]=3 186 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,0,0,0,0,0|1,0,1]=3 187 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,0,0,0,0,0|1,0,1]=3 188 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,0,0,0,0,0|1,0,1]=3 189 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [1,0,0,0,0,0|1,1,1]=4 190 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [1,0,0,0,0,0|1,1,1]=4 191 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [1,0,0,0,0,0|1,1,1]=4 192 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,0,0,0,0,0|0,0,1]=2 198 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,0,0,0,0,0|0,1,1]=3 199 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [1,0,0,0,0,0|2,0,1]=4 200 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [1,0,0,0,0,0|1,0,1]=3 201 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [1,0,0,0,0,0|2,0,1]=4 202 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [1,0,0,0,0,0|2,0,1]=4 203 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [1,0,0,0,0,0|2,0,1]=4 204 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.12 CCOCc1cncs1 34a_100121572206_100015185245 [1,0,0,0,0,0|1,1,1]=4 206 B9R1.12 CCOCc1cscn1 34a_100121572206_100000205941 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [1,0,0,0,0,0|2,0,1]=4 208 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [1,0,0,0,0,0|1,0,1]=3 209 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [1,0,0,0,0,0|1,0,1]=3 210 B9R1.12 CCOCc1nccs1 34a_100121572206_100015184050 [1,0,0,0,0,0|1,1,1]=4 211 B9R1.12 CCOCn1cccn1 34a_100000731028_100000210202 [1,0,0,0,0,0|2,0,1]=4 212 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [1,0,0,0,0,0|1,1,1]=4 213 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [1,0,0,0,0,0|1,1,1]=4 214 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,0,0,0,0,0|2,1,0]=4 217 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,0,0,0,0,0|2,1,0]=4 218 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,0,0,0,0,0|2,1,0]=4 219 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,0,0,0,0,0|2,1,0]=4 220 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,0,0,0,0,0|2,1,0]=4 221 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,0,0,0,0,0|2,1,0]=4 222 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,0,0,0,0,0|2,1,0]=4 223 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,0,0,0,0,0|2,1,0]=4 224 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,0,0,0,0,0|2,1,0]=4 227 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,0,0,0,0,0|2,1,0]=4 228 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [1,0,0,0,0,0|2,0,1]=4 231 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [1,0,0,0,0,0|1,0,1]=3 232 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [1,0,0,0,0,0|1,1,1]=4 233 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [1,0,0,0,0,0|2,0,1]=4 234 B9R1.12 FCOCc1ncco1 34a_100000062594_100015361967 [1,0,0,0,0,0|2,0,1]=4 235 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [1,0,0,0,0,0|2,0,0]=3 236 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [1,0,0,0,0,0|2,0,0]=3 237 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [1,0,0,0,0,0|2,1,0]=4 238 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [1,0,0,0,0,0|2,1,0]=4 239 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,0,0,0,0,0|2,0,0]=3 244 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,0,0,0,0,0|2,0,0]=3 245 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,0,0,0,0,0|2,1,0]=4 246 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,0,0,0,0,0|2,1,0]=4 247 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,0,0,0,0,0|2,1,0]=4 248 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,0,0,0,0,0|2,1,0]=4 249 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,0,0,0,0,0|2,1,0]=4 250 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,0,0,0,0,0|2,1,0]=4 251 B11R1.25 C#CC(=O)CCc1cccs1 1458a_100000211873_100000748579 [0,1,0,0,0,0|1,1,1]=4 252 B11R1.25 C#CC(C)NCc1ccco1 270004a_100000707721_100000186105 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.25 C#CC(C)NCc1ccco1 34a_100000185738_200000035995 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.25 C#CC(C)OCc1ccco1 34a_100000210059_200000035995 [0,1,0,0,0,0|1,0,1]=3 255 B11R1.25 C#CC(C)OCc1cccs1 34a_100000211240_200000035995 [0,1,0,0,0,0|1,1,1]=4 256 B11R1.25 C#CC(C)OCc1ccno1 34a_100000740478_200000035995 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.25 C#CC(C)OCc1ncco1 34a_100000062594_200000035995 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.25 C#C[C@@H](C)OCc1ncco1 34a_100009815206_103436540062 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.25 C#C[C@@H](C)OCc1ncco1 7a_100009815206_103436540062 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.25 C=CC(=O)CCc1cccs1 1458a_100000185746_100000748579 [0,1,0,0,0,0|1,1,1]=4 261 B11R1.25 C=CC(=O)NCc1ccc[nH]1 240690a_100000764082_200121576911 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.25 C=CC(=O)NCc1ccco1 1626a_100000185738_100000185746 [0,1,0,0,0,0|1,0,1]=3 263 B11R1.25 C=CC(=O)NCc1ccco1 240690a_100000185738_200121576911 [0,1,0,0,0,0|1,0,1]=3 264 B11R1.25 C=CC(=O)NCc1cccs1 1626a_100000211653_100000185746 [0,1,0,0,0,0|1,1,1]=4 265 B11R1.25 C=CC(=O)NCc1cccs1 240690a_100000211653_200121576911 [0,1,0,0,0,0|1,1,1]=4 266 B11R1.25 C=CC(=O)NCc1cnco1 240690a_100020634212_200121576911 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.25 C=CC(=O)NCc1ncco1 1626a_100016994969_100000185746 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.25 C=CC(=O)NCc1ncco1 240690a_100016994969_200121576911 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.25 C=CC(C)OCc1ncco1 34a_100000695699_103436540062 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.25 CC(C#N)NCc1ccco1 2230a_100000185738_100000184139 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.25 CC(C#N)OCc1ncco1 34a_100011218135_103436540062 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.25 CC(CF)OCc1ncco1 34a_100016041109_103436540062 [0,1,0,0,0,0|2,0,1]=4 275 B11R1.25 CC(CF)OCc1ncco1 7a_100016041109_103436540062 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.25 CC(CN)OCc1ncco1 34a_100000210904_103436540062 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.25 CC(CO)NCc1ccco1 2230a_100000185738_100012180447 [0,1,0,0,0,0|1,0,2]=4 278 B11R1.25 CC(CO)NCc1ccco1 34a_100000185738_100012180447 [0,1,0,0,0,0|1,0,2]=4 279 B11R1.25 CC(CO)OCc1ccco1 34a_100000210059_100012180447 [0,1,0,0,0,0|0,0,2]=3 280 B11R1.25 CC(CO)OCc1cccs1 34a_100000211240_100012180447 [0,1,0,0,0,0|0,1,2]=4 281 B11R1.25 CC(CO)OCc1ccno1 34a_100000740478_100012180447 [0,1,0,0,0,0|1,0,2]=4 282 B11R1.25 CC(CO)OCc1ncco1 34a_100000062594_100012180447 [0,1,0,0,0,0|1,0,2]=4 283 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [0,1,0,0,0,0|1,1,1]=4 284 B11R1.25 CCC(=O)CCc1c[nH]cn1 1458a_100000210414_100020628418 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.25 CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210202 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,1,0,0,0,0|1,0,0]=2 288 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,1,0,0,0,0|1,1,0]=3 289 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,1,0,0,0,0|1,1,0]=3 290 B11R1.25 CCC(=O)CCc1ccsc1 1458a_100000195497_100000210202 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.25 CCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210202 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.25 CCC(=O)CCc1cncs1 1458a_100012184922_100000210202 [0,1,0,0,0,0|2,1,0]=4 293 B11R1.25 CCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210202 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [0,1,0,0,0,0|2,1,0]=4 295 B11R1.25 CCC(=O)CCn1cccc1 1458a_100000210414_200000035178 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.25 CCC(=O)CCn1cccc1 1458a_100011196273_100000210202 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000210414_100000685285 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000242649_100000210202 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [0,1,0,0,0,0|2,1,0]=4 302 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [0,1,0,0,0,0|2,1,0]=4 303 B11R1.25 CCC(=O)CSc1cnco1 62a_100000747405_100020591547 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.25 CCC(=O)CSc1cnco1 62a_100020591547_100000747405 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.25 CCC(=O)CSc1ncco1 62a_100000747405_100011787736 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.25 CCC(=O)CSc1ncco1 62a_100011787736_100000747405 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.25 CCC(=O)NCc1c[nH]cn1 11a_100000758547_100000210414 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.25 CCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210414 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.25 CCC(=O)NCc1c[nH]cn1 527a_100000758547_100000210414 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.25 CCC(=O)NCc1cc[nH]n1 11a_100000739516_100000210414 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.25 CCC(=O)NCc1cc[nH]n1 240690a_100000739516_100000210414 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.25 CCC(=O)NCc1cc[nH]n1 527a_100000739516_100000210414 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.25 CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210414 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.25 CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210414 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.25 CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210414 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,1,0,0,0,0|1,0,0]=2 317 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,1,0,0,0,0|1,0,0]=2 318 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,1,0,0,0,0|1,0,0]=2 319 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,1,0,0,0,0|1,0,0]=2 320 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [0,1,0,0,0,0|1,1,0]=3 321 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [0,1,0,0,0,0|1,1,0]=3 322 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [0,1,0,0,0,0|1,1,0]=3 323 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [0,1,0,0,0,0|1,1,0]=3 324 B11R1.25 CCC(=O)NCc1ccoc1 11a_100015206860_100000210414 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.25 CCC(=O)NCc1ccoc1 1626a_100015206860_100000210414 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.25 CCC(=O)NCc1ccoc1 240690a_100015206860_100000210414 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.25 CCC(=O)NCc1ccoc1 527a_100015206860_100000210414 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.25 CCC(=O)NCc1ccon1 11a_100000688301_100000210414 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.25 CCC(=O)NCc1ccon1 240690a_100000688301_100000210414 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.25 CCC(=O)NCc1ccon1 527a_100000688301_100000210414 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.25 CCC(=O)NCc1ccsc1 11a_100000186416_100000210414 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.25 CCC(=O)NCc1ccsc1 1626a_100000186416_100000210414 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.25 CCC(=O)NCc1ccsc1 240690a_100000186416_100000210414 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.25 CCC(=O)NCc1ccsc1 527a_100000186416_100000210414 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.25 CCC(=O)NCc1cnco1 11a_100020634212_100000210414 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.25 CCC(=O)NCc1cnco1 240690a_100020634212_100000210414 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.25 CCC(=O)NCc1cnco1 527a_100020634212_100000210414 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.25 CCC(=O)NCc1cncs1 11a_100016987365_100000210414 [0,1,0,0,0,0|2,1,0]=4 339 B11R1.25 CCC(=O)NCc1cncs1 240690a_100016987365_100000210414 [0,1,0,0,0,0|2,1,0]=4 340 B11R1.25 CCC(=O)NCc1cncs1 527a_100016987365_100000210414 [0,1,0,0,0,0|2,1,0]=4 341 B11R1.25 CCC(=O)NCc1cocn1 11a_100015188801_100000210414 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.25 CCC(=O)NCc1cocn1 240690a_100015188801_100000210414 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.25 CCC(=O)NCc1cocn1 527a_100015188801_100000210414 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.25 CCC(=O)NCc1cscn1 11a_100015185402_100000210414 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.25 CCC(=O)NCc1cscn1 1626a_100015185402_100000210414 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.25 CCC(=O)NCc1cscn1 240690a_100015185402_100000210414 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.25 CCC(=O)NCc1cscn1 527a_100015185402_100000210414 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.25 CCC(=O)NCc1ncc[nH]1 11a_100000754540_100000210414 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.25 CCC(=O)NCc1ncc[nH]1 240690a_100000754540_100000210414 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.25 CCC(=O)NCc1ncc[nH]1 527a_100000754540_100000210414 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.25 CCC(=O)NCc1ncco1 11a_100016994969_100000210414 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.25 CCC(=O)NCc1ncco1 1626a_100016994969_100000210414 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.25 CCC(=O)NCc1ncco1 240690a_100016994969_100000210414 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.25 CCC(=O)NCc1ncco1 527a_100016994969_100000210414 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.25 CCC(=O)NCc1nccs1 11a_100000740555_100000210414 [0,1,0,0,0,0|2,1,0]=4 356 B11R1.25 CCC(=O)NCc1nccs1 1626a_100000740555_100000210414 [0,1,0,0,0,0|2,1,0]=4 357 B11R1.25 CCC(=O)NCc1nccs1 240690a_100000740555_100000210414 [0,1,0,0,0,0|2,1,0]=4 358 B11R1.25 CCC(=O)NCc1nccs1 527a_100000740555_100000210414 [0,1,0,0,0,0|2,1,0]=4 359 B11R1.25 CCC(C)NCc1ccco1 207a_100000209981_100000186105 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.25 CCC(C)NCc1ccco1 2230a_100000185738_100000758301 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.25 CCC(C)NCc1ccco1 270004a_100000209981_100000186105 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.25 CCC(C)NCc1ccco1 34a_100000185738_100011215416 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [0,1,0,0,0,0|1,0,1]=3 364 B11R1.25 CCC(C)OCc1cccs1 34a_100000211240_100011215416 [0,1,0,0,0,0|1,1,1]=4 365 B11R1.25 CCC(C)OCc1ccno1 34a_100000740478_100011215416 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.25 CCC(C)OCc1ncco1 34a_100000062594_100011215416 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.25 CCC(C)OCc1ncco1 7a_100000210228_103436540062 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,1,0,0,0,0|1,1,1]=4 369 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,1,0,0,0,0|1,1,1]=4 370 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,1,0,0,0,0|1,1,1]=4 371 B11R1.25 CNC(=O)CCc1cc[nH]c1 11a_106832991635_200000093579 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.25 CNC(=O)CCc1cc[nH]c1 240690a_100102657272_200000093579 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.25 CNC(=O)CCc1cc[nH]c1 527a_100102657272_200000093579 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,1,0,0,0,0|1,0,0]=2 378 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,1,0,0,0,0|1,0,0]=2 379 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,1,0,0,0,0|1,0,0]=2 380 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [0,1,0,0,0,0|1,1,0]=3 381 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [0,1,0,0,0,0|1,1,0]=3 382 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [0,1,0,0,0,0|1,1,0]=3 383 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [0,1,0,0,0,0|1,1,0]=3 384 B11R1.25 CNC(=O)CCc1ccsc1 11a_106832991635_100000195497 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.25 CNC(=O)CCc1ccsc1 1626a_100102657272_100000195497 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.25 CNC(=O)CCc1ccsc1 240690a_100102657272_100000195497 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.25 CNC(=O)CCc1ccsc1 527a_100102657272_100000195497 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.25 CNC(=O)CCc1cnc[nH]1 240690a_100102657272_100000044180 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.25 CNC(=O)CCc1cnc[nH]1 527a_100102657272_100000044180 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.25 CNC(=O)CCc1cncs1 11a_106832991635_100012184922 [0,1,0,0,0,0|2,1,0]=4 391 B11R1.25 CNC(=O)CCc1cncs1 1626a_100102657272_100012184922 [0,1,0,0,0,0|2,1,0]=4 392 B11R1.25 CNC(=O)CCc1cncs1 240690a_100102657272_100012184922 [0,1,0,0,0,0|2,1,0]=4 393 B11R1.25 CNC(=O)CCc1cncs1 527a_100102657272_100012184922 [0,1,0,0,0,0|2,1,0]=4 394 B11R1.25 CNC(=O)CCc1ncc[nH]1 240690a_100102657272_100000722789 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.25 CNC(=O)CCc1ncc[nH]1 527a_100102657272_100000722789 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.25 CNC(=O)CCc1nccs1 11a_106832991635_100000742873 [0,1,0,0,0,0|2,1,0]=4 397 B11R1.25 CNC(=O)CCc1nccs1 1626a_100102657272_100000742873 [0,1,0,0,0,0|2,1,0]=4 398 B11R1.25 CNC(=O)CCc1nccs1 240690a_100102657272_100000742873 [0,1,0,0,0,0|2,1,0]=4 399 B11R1.25 CNC(=O)CCc1nccs1 527a_100102657272_100000742873 [0,1,0,0,0,0|2,1,0]=4 400 B11R1.25 CNC(=O)CCn1cccc1 11a_106832991635_100011196273 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.25 CNC(=O)CCn1cccc1 1626a_100102657272_100011196273 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.25 CNC(=O)CCn1cccc1 527a_100102657272_100011196273 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.25 CNC(=O)CCn1cccn1 11a_106832991635_100000242649 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.25 CNC(=O)CCn1cccn1 1626a_100102657272_100000242649 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.25 CNC(=O)CCn1cccn1 240690a_100102657272_100000242649 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.25 CNC(=O)CCn1cccn1 527a_100102657272_100000242649 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.25 CNC(=O)CSc1cccs1 62a_100000183359_100011215356 [0,1,0,0,0,0|2,1,0]=4 410 B11R1.25 CNC(=O)CSc1cccs1 62a_100011215356_100000183359 [0,1,0,0,0,0|2,1,0]=4 411 B11R1.25 CNC(=O)CSc1cnco1 62a_100000183359_100020591547 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.25 CNC(=O)CSc1cnco1 62a_100020591547_100000183359 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.25 CNC(=O)CSc1ncco1 62a_100000183359_100011787736 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.25 CNC(=O)CSc1ncco1 62a_100011787736_100000183359 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.25 CNC(=O)NCc1c[nH]cn1 2708a_100000758547_106832991635 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.25 CNC(=O)NCc1c[nH]cn1 2708a_100102657272_100000758547 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.25 CNC(=O)NCc1c[nH]cn1 273464a_100000758547_100102657272 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.25 CNC(=O)NCc1c[nH]cn1 273464a_100102657272_100000758547 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.25 CNC(=O)NCc1c[nH]cn1 512a_100000758547_100102657272 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.25 CNC(=O)NCc1c[nH]cn1 512a_106832991638_100000758547 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.25 CNC(=O)NCc1cc[nH]n1 2708a_100000739516_106832991635 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.25 CNC(=O)NCc1cc[nH]n1 2708a_100102657272_100000739516 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.25 CNC(=O)NCc1cc[nH]n1 273464a_100000739516_100102657272 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.25 CNC(=O)NCc1cc[nH]n1 273464a_100102657272_100000739516 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.25 CNC(=O)NCc1cc[nH]n1 512a_100000739516_100102657272 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.25 CNC(=O)NCc1cc[nH]n1 512a_106832991638_100000739516 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100000764082_100102657272 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100102657272_100000764082 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.25 CNC(=O)NCc1ccc[nH]1 512a_106832991638_100000764082 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,1,0,0,0,0|1,0,0]=2 431 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,1,0,0,0,0|1,0,0]=2 434 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,1,0,0,0,0|1,0,0]=2 435 B11R1.25 CNC(=O)NCc1cccs1 2708a_100000211653_106832991635 [0,1,0,0,0,0|1,1,0]=3 436 B11R1.25 CNC(=O)NCc1cccs1 2708a_100102657272_100000211653 [0,1,0,0,0,0|1,1,0]=3 437 B11R1.25 CNC(=O)NCc1cccs1 273464a_100000211653_100102657272 [0,1,0,0,0,0|1,1,0]=3 438 B11R1.25 CNC(=O)NCc1cccs1 273464a_100102657272_100000211653 [0,1,0,0,0,0|1,1,0]=3 439 B11R1.25 CNC(=O)NCc1cccs1 512a_100000211653_100102657272 [0,1,0,0,0,0|1,1,0]=3 440 B11R1.25 CNC(=O)NCc1cccs1 512a_106832991638_100000211653 [0,1,0,0,0,0|1,1,0]=3 441 B11R1.25 CNC(=O)NCc1ccoc1 2708a_100015206860_106832991635 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.25 CNC(=O)NCc1ccoc1 2708a_100102657272_100015206860 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.25 CNC(=O)NCc1ccoc1 273464a_100015206860_100102657272 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.25 CNC(=O)NCc1ccoc1 273464a_100102657272_100015206860 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.25 CNC(=O)NCc1ccoc1 512a_100015206860_100102657272 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.25 CNC(=O)NCc1ccoc1 512a_106832991638_100015206860 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.25 CNC(=O)NCc1ccon1 2708a_100000688301_106832991635 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.25 CNC(=O)NCc1ccon1 2708a_100102657272_100000688301 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.25 CNC(=O)NCc1ccon1 273464a_100000688301_100102657272 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.25 CNC(=O)NCc1ccon1 273464a_100102657272_100000688301 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.25 CNC(=O)NCc1ccon1 512a_100000688301_100102657272 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.25 CNC(=O)NCc1ccon1 512a_106832991638_100000688301 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.25 CNC(=O)NCc1ccsc1 2708a_100000186416_106832991635 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.25 CNC(=O)NCc1ccsc1 2708a_100102657272_100000186416 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.25 CNC(=O)NCc1ccsc1 273464a_100000186416_100102657272 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.25 CNC(=O)NCc1ccsc1 273464a_100102657272_100000186416 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.25 CNC(=O)NCc1ccsc1 512a_100000186416_100102657272 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.25 CNC(=O)NCc1ccsc1 512a_106832991638_100000186416 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.25 CNC(=O)NCc1cnco1 2708a_100020634212_106832991635 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.25 CNC(=O)NCc1cnco1 2708a_100102657272_100020634212 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.25 CNC(=O)NCc1cnco1 273464a_100020634212_100102657272 [0,1,0,0,0,0|2,0,0]=3 462 B11R1.25 CNC(=O)NCc1cnco1 273464a_100102657272_100020634212 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.25 CNC(=O)NCc1cnco1 512a_100020634212_100102657272 [0,1,0,0,0,0|2,0,0]=3 464 B11R1.25 CNC(=O)NCc1cnco1 512a_106832991638_100020634212 [0,1,0,0,0,0|2,0,0]=3 465 B11R1.25 CNC(=O)NCc1cncs1 2708a_100016987365_106832991635 [0,1,0,0,0,0|2,1,0]=4 466 B11R1.25 CNC(=O)NCc1cncs1 2708a_100102657272_100016987365 [0,1,0,0,0,0|2,1,0]=4 467 B11R1.25 CNC(=O)NCc1cncs1 273464a_100016987365_100102657272 [0,1,0,0,0,0|2,1,0]=4 468 B11R1.25 CNC(=O)NCc1cncs1 273464a_100102657272_100016987365 [0,1,0,0,0,0|2,1,0]=4 469 B11R1.25 CNC(=O)NCc1cncs1 512a_100016987365_100102657272 [0,1,0,0,0,0|2,1,0]=4 470 B11R1.25 CNC(=O)NCc1cncs1 512a_106832991638_100016987365 [0,1,0,0,0,0|2,1,0]=4 471 B11R1.25 CNC(=O)NCc1cocn1 2708a_100015188801_106832991635 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.25 CNC(=O)NCc1cocn1 2708a_100102657272_100015188801 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.25 CNC(=O)NCc1cocn1 273464a_100015188801_100102657272 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.25 CNC(=O)NCc1cocn1 273464a_100102657272_100015188801 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.25 CNC(=O)NCc1cocn1 512a_100015188801_100102657272 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.25 CNC(=O)NCc1cocn1 512a_106832991638_100015188801 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.25 CNC(=O)NCc1cscn1 2708a_100015185402_106832991635 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.25 CNC(=O)NCc1cscn1 2708a_100102657272_100015185402 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.25 CNC(=O)NCc1cscn1 273464a_100015185402_100102657272 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.25 CNC(=O)NCc1cscn1 273464a_100102657272_100015185402 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.25 CNC(=O)NCc1cscn1 512a_100015185402_100102657272 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.25 CNC(=O)NCc1cscn1 512a_106832991638_100015185402 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.25 CNC(=O)NCc1ncc[nH]1 2708a_100000754540_106832991635 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.25 CNC(=O)NCc1ncc[nH]1 2708a_100102657272_100000754540 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.25 CNC(=O)NCc1ncc[nH]1 273464a_100000754540_100102657272 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.25 CNC(=O)NCc1ncc[nH]1 273464a_100102657272_100000754540 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.25 CNC(=O)NCc1ncc[nH]1 512a_100000754540_100102657272 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.25 CNC(=O)NCc1ncc[nH]1 512a_106832991638_100000754540 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.25 CNC(=O)NCc1ncco1 2708a_100016994969_106832991635 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.25 CNC(=O)NCc1ncco1 2708a_100102657272_100016994969 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.25 CNC(=O)NCc1ncco1 273464a_100016994969_100102657272 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.25 CNC(=O)NCc1ncco1 273464a_100102657272_100016994969 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.25 CNC(=O)NCc1ncco1 512a_100016994969_100102657272 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.25 CNC(=O)NCc1ncco1 512a_106832991638_100016994969 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.25 CNC(=O)NCc1nccs1 2708a_100000740555_106832991635 [0,1,0,0,0,0|2,1,0]=4 496 B11R1.25 CNC(=O)NCc1nccs1 2708a_100102657272_100000740555 [0,1,0,0,0,0|2,1,0]=4 497 B11R1.25 CNC(=O)NCc1nccs1 273464a_100000740555_100102657272 [0,1,0,0,0,0|2,1,0]=4 498 B11R1.25 CNC(=O)NCc1nccs1 273464a_100102657272_100000740555 [0,1,0,0,0,0|2,1,0]=4 499 B11R1.25 CNC(=O)NCc1nccs1 512a_100000740555_100102657272 [0,1,0,0,0,0|2,1,0]=4 500 B11R1.25 CNC(=O)NCc1nccs1 512a_106832991638_100000740555 [0,1,0,0,0,0|2,1,0]=4 501 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [0,1,0,0,0,0|2,0,1]=4 503 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [0,1,0,0,0,0|2,1,0]=4 506 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [0,1,0,0,0,0|2,1,0]=4 507 B11R1.25 COC(=O)CSc1cnco1 62a_100000747449_100020591547 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.25 COC(=O)CSc1cnco1 62a_100020591547_100000747449 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.25 COC(=O)CSc1ncco1 62a_100000747449_100011787736 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.25 COC(=O)CSc1ncco1 62a_100011787736_100000747449 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.25 C[C@H](CF)NCc1ccco1 207a_100102880703_100000186105 [0,1,0,0,0,0|2,0,1]=4 512 B11R1.25 C[C@H](CF)NCc1ccco1 270004a_100102880703_100000186105 [0,1,0,0,0,0|2,0,1]=4 513 B11R1.25 C[C@H](CO)NCc1ccco1 207a_100000737577_100000186105 [0,1,0,0,0,0|1,0,2]=4 514 B11R1.25 C[C@H](CO)NCc1ccco1 270004a_100000737577_100000186105 [0,1,0,0,0,0|1,0,2]=4 515 B11R1.25 O=C(C=Cc1cccs1)CF 1458a_100000182767_100015361967 [0,1,0,0,0,0|1,1,1]=4 516 B11R1.25 O=C(CF)CCc1cc[nH]c1 1458a_200000093579_100015361967 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,1,0,0,0,0|1,0,0]=2 519 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [0,1,0,0,0,0|1,1,0]=3 520 B11R1.25 O=C(CF)CCc1ccsc1 1458a_100000195497_100015361967 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.25 O=C(CF)CCc1cnc[nH]1 1458a_100000044180_100015361967 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.25 O=C(CF)CCc1cncs1 1458a_100012184922_100015361967 [0,1,0,0,0,0|2,1,0]=4 523 B11R1.25 O=C(CF)CCc1ncc[nH]1 1458a_100000722789_100015361967 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.25 O=C(CF)CCc1nccs1 1458a_100000742873_100015361967 [0,1,0,0,0,0|2,1,0]=4 525 B11R1.25 O=C(CF)CCn1cccc1 1458a_100011196273_100015361967 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.25 O=C(CF)CCn1cccn1 1458a_100000242649_100015361967 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.25 O=C(CO)CCc1c[nH]cn1 1458a_100000210174_100020628418 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [0,1,0,0,0,0|1,1,0]=3 529 B11R1.25 O=C(CO)CCn1cccc1 1458a_100000210174_200000035178 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.25 O=C(CO)CCn1cccn1 1458a_100000210174_100000685285 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.25 O=C(CO)NCc1c[nH]cn1 240690a_100000758547_100000210174 [0,1,0,0,0,0|3,0,0]=4 532 B11R1.25 O=C(CO)NCc1c[nH]cn1 527a_100000758547_100000210174 [0,1,0,0,0,0|3,0,0]=4 533 B11R1.25 O=C(CO)NCc1cc[nH]n1 240690a_100000739516_100000210174 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.25 O=C(CO)NCc1cc[nH]n1 527a_100000739516_100000210174 [0,1,0,0,0,0|3,0,0]=4 535 B11R1.25 O=C(CO)NCc1ccc[nH]1 240690a_100000764082_100000210174 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.25 O=C(CO)NCc1ccc[nH]1 527a_100000764082_100000210174 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,1,0,0,0,0|1,0,0]=2 538 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,1,0,0,0,0|1,0,0]=2 539 B11R1.25 O=C(CO)NCc1cccs1 240690a_100000211653_100000210174 [0,1,0,0,0,0|1,1,0]=3 540 B11R1.25 O=C(CO)NCc1cccs1 527a_100000211653_100000210174 [0,1,0,0,0,0|1,1,0]=3 541 B11R1.25 O=C(CO)NCc1ccoc1 240690a_100015206860_100000210174 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.25 O=C(CO)NCc1ccoc1 527a_100015206860_100000210174 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.25 O=C(CO)NCc1ccon1 240690a_100000688301_100000210174 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.25 O=C(CO)NCc1ccon1 527a_100000688301_100000210174 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.25 O=C(CO)NCc1ccsc1 240690a_100000186416_100000210174 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.25 O=C(CO)NCc1ccsc1 527a_100000186416_100000210174 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.25 O=C(CO)NCc1cnco1 240690a_100020634212_100000210174 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.25 O=C(CO)NCc1cnco1 527a_100020634212_100000210174 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.25 O=C(CO)NCc1cncs1 240690a_100016987365_100000210174 [0,1,0,0,0,0|2,1,0]=4 550 B11R1.25 O=C(CO)NCc1cncs1 527a_100016987365_100000210174 [0,1,0,0,0,0|2,1,0]=4 551 B11R1.25 O=C(CO)NCc1cocn1 240690a_100015188801_100000210174 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.25 O=C(CO)NCc1cocn1 527a_100015188801_100000210174 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.25 O=C(CO)NCc1cscn1 240690a_100015185402_100000210174 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.25 O=C(CO)NCc1cscn1 527a_100015185402_100000210174 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.25 O=C(CO)NCc1ncc[nH]1 240690a_100000754540_100000210174 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.25 O=C(CO)NCc1ncc[nH]1 527a_100000754540_100000210174 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.25 O=C(CO)NCc1ncco1 240690a_100016994969_100000210174 [0,1,0,0,0,0|2,0,0]=3 558 B11R1.25 O=C(CO)NCc1ncco1 527a_100016994969_100000210174 [0,1,0,0,0,0|2,0,0]=3 559 B11R1.25 O=C(CO)NCc1nccs1 240690a_100000740555_100000210174 [0,1,0,0,0,0|2,1,0]=4 560 B11R1.25 O=C(CO)NCc1nccs1 527a_100000740555_100000210174 [0,1,0,0,0,0|2,1,0]=4 561 B11R1.35 C=C(C)C(=O)Cc1ncco1 1458a_100000185857_103436540062 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [0,1,0,0,0,0|1,0,1]=3 563 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [0,1,0,0,0,0|1,0,1]=3 564 B11R1.35 CC(=O)C(C)Cn1cccn1 1458a_100000740329_200000210301 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814033_100009814098 [0,1,0,0,0,0|2,0,0]=3 566 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814098_100009814033 [0,1,0,0,0,0|2,0,0]=3 567 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100009814033_100011215356 [0,1,0,0,0,0|2,1,0]=4 568 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100011215356_100009814033 [0,1,0,0,0,0|2,1,0]=4 569 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100009814033_100020591547 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100020591547_100009814033 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100009814033_100011787736 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100011787736_100009814033 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [0,1,0,0,0,0|1,0,0]=2 574 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [0,1,0,0,0,0|1,0,0]=2 575 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [0,1,0,0,0,0|1,0,0]=2 576 B11R1.35 CC(=O)N(C)Cc1cccs1 11a_100000184426_100015343762 [0,1,0,0,0,0|1,1,0]=3 577 B11R1.35 CC(=O)N(C)Cc1cccs1 240690a_100000184426_100015343762 [0,1,0,0,0,0|1,1,0]=3 578 B11R1.35 CC(=O)N(C)Cc1cccs1 527a_100000184426_100103153847 [0,1,0,0,0,0|1,1,0]=3 579 B11R1.35 CC(=O)N(C)Cc1ccon1 11a_100000757864_100015343762 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.35 CC(=O)N(C)Cc1ccon1 240690a_100000757864_100015343762 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.35 CC(=O)N(C)Cc1ccon1 527a_100000757864_100103153847 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.35 CC(=O)N(C)Cc1ccsc1 11a_100020654213_100015343762 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.35 CC(=O)N(C)Cc1ccsc1 240690a_100020654213_100015343762 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.35 CC(=O)N(C)Cc1ccsc1 527a_100020654213_100103153847 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.35 CC(=O)N(C)Cc1cscn1 11a_100000225794_100015343762 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.35 CC(=O)N(C)Cc1cscn1 240690a_100000225794_100015343762 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.35 CC(=O)N(C)Cc1cscn1 527a_100000225794_100103153847 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.35 CC(=O)N(C)Cc1ncc[nH]1 11a_100015184136_100015343762 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.35 CC(=O)N(C)Cc1ncc[nH]1 240690a_100015184136_100015343762 [0,1,0,0,0,0|3,0,0]=4 590 B11R1.35 CC(=O)N(C)Cc1ncc[nH]1 527a_100015184136_100103153847 [0,1,0,0,0,0|3,0,0]=4 591 B11R1.35 CC(=O)N(C)Cc1nccs1 11a_100000765864_100015343762 [0,1,0,0,0,0|2,1,0]=4 592 B11R1.35 CC(=O)N(C)Cc1nccs1 240690a_100000765864_100015343762 [0,1,0,0,0,0|2,1,0]=4 593 B11R1.35 CC(=O)N(C)Cc1nccs1 527a_100000765864_100103153847 [0,1,0,0,0,0|2,1,0]=4 594 B11R1.35 CC(C)C(=O)Cc1ccco1 1458a_100011217309_100000210206 [0,1,0,0,0,0|2,0,1]=4 595 B11R1.35 CC(C)N(C)Cc1ccco1 2230a_100000185268_100000210206 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.35 CC(C)N(C)Cc1ccco1 269982a_100000185268_100000210206 [0,1,0,0,0,0|2,0,1]=4 597 B11R1.35 CC(C)N(C)Cc1ccco1 270004a_200000211004_100000186105 [0,1,0,0,0,0|2,0,1]=4 598 B11R1.35 CC(Cc1ccco1)N(C)C 270004a_100102631434_100011216958 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.35 CC(Cn1cccn1)C(=O)[13CH3] 1458a_100000740329_200025704644 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100000702099_100009814098 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100009814098_100000702099 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.35 CN(C)C(=O)Cc1ccco1 11a_100102631434_100011217309 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.35 CN(C)C(=O)Cc1ccco1 527a_100102631434_100011217309 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009813875_100009814098 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009814098_100009813875 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100009814098_100020610796 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100020610796_100009814098 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.75 CC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200000210301 [0,1,0,0,0,0|1,1,1]=4 609 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [0,1,0,0,0,0|1,0,1]=3 610 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,1,0,0,0,0|1,0,1]=3 611 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [0,1,0,0,0,0|1,0,1]=3 612 B11R1.75 CC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200000210301 [0,1,0,0,0,0|1,1,1]=4 613 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [0,1,0,0,0,0|1,1,1]=4 614 B11R1.75 CC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200000210301 [0,1,0,0,0,0|1,1,1]=4 615 B11R1.75 CC(=O)CCc1cc(no1)Cl 1458a_100000022696_200000210301 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.75 CC(=O)CCc1csc(n1)C 1458a_100000070787_100000695623 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.75 CC(=O)CCn1cc(cn1)C 1458a_100000743555_200000210301 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.75 CC(=O)CCn1cc(cn1)Cl 1458a_100000070787_100011353933 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.75 CC(=O)CCn1cc(cn1)Cl 1458a_100000743157_200000210301 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.75 CC(=O)CCn1cc(cn1)I 1458a_100012072392_200000210301 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000070787_200011934056 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000759146_200000210301 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.75 CC(=O)NCc1cc(cs1)Br 11a_100000741024_100015343762 [0,1,0,0,0,0|1,1,0]=3 624 B11R1.75 CC(=O)NCc1cc(cs1)Br 1626a_100000741024_100015343762 [0,1,0,0,0,0|1,1,0]=3 625 B11R1.75 CC(=O)NCc1cc(cs1)Br 240690a_100000741024_100015343762 [0,1,0,0,0,0|1,1,0]=3 626 B11R1.75 CC(=O)NCc1cc(cs1)Br 527a_100000741024_100103153847 [0,1,0,0,0,0|1,1,0]=3 627 B11R1.75 CC(=O)NCc1cc(cs1)C 11a_100015204214_100015343762 [0,1,0,0,0,0|1,1,0]=3 628 B11R1.75 CC(=O)NCc1cc(cs1)C 1626a_100015204214_100015343762 [0,1,0,0,0,0|1,1,0]=3 629 B11R1.75 CC(=O)NCc1cc(cs1)C 240690a_100015204214_100015343762 [0,1,0,0,0,0|1,1,0]=3 630 B11R1.75 CC(=O)NCc1cc(cs1)C 527a_100015204214_100103153847 [0,1,0,0,0,0|1,1,0]=3 631 B11R1.75 CC(=O)NCc1cc(n[nH]1)C 11a_100025702664_100015343762 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.75 CC(=O)NCc1cc(n[nH]1)C 240690a_100025702664_100015343762 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.75 CC(=O)NCc1cc(n[nH]1)C 527a_100025702664_100103153847 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.75 CC(=O)NCc1cc(no1)Br 11a_100015193020_100015343762 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.75 CC(=O)NCc1cc(no1)Br 240690a_100015193020_100015343762 [0,1,0,0,0,0|2,0,0]=3 636 B11R1.75 CC(=O)NCc1cc(no1)Br 527a_100015193020_100103153847 [0,1,0,0,0,0|2,0,0]=3 637 B11R1.75 CC(=O)NCc1cc(no1)C 11a_100000745748_100015343762 [0,1,0,0,0,0|2,0,0]=3 638 B11R1.75 CC(=O)NCc1cc(no1)C 240690a_100000745748_100015343762 [0,1,0,0,0,0|2,0,0]=3 639 B11R1.75 CC(=O)NCc1cc(no1)C 527a_100000745748_100103153847 [0,1,0,0,0,0|2,0,0]=3 640 B11R1.75 CC(=O)NCc1cc(on1)C 11a_100000745230_100015343762 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.75 CC(=O)NCc1cc(on1)C 240690a_100000745230_100015343762 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.75 CC(=O)NCc1cc(on1)C 527a_100000745230_100103153847 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,1,0,0,0,0|1,0,0]=2 644 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,1,0,0,0,0|1,0,0]=2 645 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,1,0,0,0,0|1,0,0]=2 646 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,1,0,0,0,0|1,0,0]=2 647 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,1,0,0,0,0|1,0,0]=2 648 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,1,0,0,0,0|1,0,0]=2 649 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,1,0,0,0,0|1,0,0]=2 650 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,1,0,0,0,0|1,0,0]=2 651 B11R1.75 CC(=O)NCc1ccc(s1)Br 11a_100000737305_100015343762 [0,1,0,0,0,0|1,1,0]=3 652 B11R1.75 CC(=O)NCc1ccc(s1)Br 1626a_100000737305_100015343762 [0,1,0,0,0,0|1,1,0]=3 653 B11R1.75 CC(=O)NCc1ccc(s1)Br 240690a_100000737305_100015343762 [0,1,0,0,0,0|1,1,0]=3 654 B11R1.75 CC(=O)NCc1ccc(s1)Br 527a_100000737305_100103153847 [0,1,0,0,0,0|1,1,0]=3 655 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [0,1,0,0,0,0|1,1,0]=3 656 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [0,1,0,0,0,0|1,1,0]=3 657 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [0,1,0,0,0,0|1,1,0]=3 658 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [0,1,0,0,0,0|1,1,0]=3 659 B11R1.75 CC(=O)NCc1ccc(s1)Cl 11a_100000737310_100015343762 [0,1,0,0,0,0|1,1,0]=3 660 B11R1.75 CC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100015343762 [0,1,0,0,0,0|1,1,0]=3 661 B11R1.75 CC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100015343762 [0,1,0,0,0,0|1,1,0]=3 662 B11R1.75 CC(=O)NCc1ccc(s1)Cl 527a_100000737310_100103153847 [0,1,0,0,0,0|1,1,0]=3 663 B11R1.75 CC(=O)NCc1ccn(n1)C 11a_100020636201_100015343762 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.75 CC(=O)NCc1ccn(n1)C 240690a_100020636201_100015343762 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.75 CC(=O)NCc1ccn(n1)C 527a_100020636201_100103153847 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.75 CC(=O)NCc1cn(cn1)C 11a_100011834058_100015343762 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.75 CC(=O)NCc1cn(cn1)C 1626a_100011834058_100015343762 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.75 CC(=O)NCc1cn(cn1)C 240690a_100011834058_100015343762 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.75 CC(=O)NCc1cn(cn1)C 527a_100011834058_100103153847 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.75 CC(=O)NCc1cnc(s1)Br 11a_100000726991_100015343762 [0,1,0,0,0,0|2,1,0]=4 671 B11R1.75 CC(=O)NCc1cnc(s1)Br 240690a_100000726991_100015343762 [0,1,0,0,0,0|2,1,0]=4 672 B11R1.75 CC(=O)NCc1cnc(s1)Br 527a_100000726991_100103153847 [0,1,0,0,0,0|2,1,0]=4 673 B11R1.75 CC(=O)NCc1cnc(s1)C 11a_200000743601_100015343762 [0,1,0,0,0,0|2,1,0]=4 674 B11R1.75 CC(=O)NCc1cnc(s1)C 1626a_200000743601_100015343762 [0,1,0,0,0,0|2,1,0]=4 675 B11R1.75 CC(=O)NCc1cnc(s1)C 240690a_200000743601_100015343762 [0,1,0,0,0,0|2,1,0]=4 676 B11R1.75 CC(=O)NCc1cnc(s1)C 527a_200000743601_100103153847 [0,1,0,0,0,0|2,1,0]=4 677 B11R1.75 CC(=O)NCc1cnc(s1)Cl 11a_100000726635_100015343762 [0,1,0,0,0,0|2,1,0]=4 678 B11R1.75 CC(=O)NCc1cnc(s1)Cl 1626a_100000726635_100015343762 [0,1,0,0,0,0|2,1,0]=4 679 B11R1.75 CC(=O)NCc1cnc(s1)Cl 240690a_100000726635_100015343762 [0,1,0,0,0,0|2,1,0]=4 680 B11R1.75 CC(=O)NCc1cnc(s1)Cl 527a_100000726635_100103153847 [0,1,0,0,0,0|2,1,0]=4 681 B11R1.75 CC(=O)NCc1csc(n1)C 11a_100000707933_100015343762 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.75 CC(=O)NCc1csc(n1)C 1626a_100000707933_100015343762 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.75 CC(=O)NCc1csc(n1)C 240690a_100000707933_100015343762 [0,1,0,0,0,0|3,0,0]=4 684 B11R1.75 CC(=O)NCc1csc(n1)C 527a_100000707933_100103153847 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.75 CC(=O)NCc1nc(cs1)C 11a_100015183719_100015343762 [0,1,0,0,0,0|2,1,0]=4 686 B11R1.75 CC(=O)NCc1nc(cs1)C 1626a_100015183719_100015343762 [0,1,0,0,0,0|2,1,0]=4 687 B11R1.75 CC(=O)NCc1nc(cs1)C 240690a_100015183719_100015343762 [0,1,0,0,0,0|2,1,0]=4 688 B11R1.75 CC(=O)NCc1nc(cs1)C 527a_100015183719_100103153847 [0,1,0,0,0,0|2,1,0]=4 689 B11R1.75 CC(=O)NCc1nc(no1)C 270196a_100000212224_100000194580 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.75 CC(=O)NCc1ncc(o1)C 11a_100138411809_100015343762 [0,1,0,0,0,0|2,0,0]=3 691 B11R1.75 CC(=O)NCc1ncc(o1)C 1626a_100138411809_100015343762 [0,1,0,0,0,0|2,0,0]=3 692 B11R1.75 CC(=O)NCc1ncc(o1)C 240690a_100138411809_100015343762 [0,1,0,0,0,0|2,0,0]=3 693 B11R1.75 CC(=O)NCc1ncc(o1)C 527a_100138411809_100103153847 [0,1,0,0,0,0|2,0,0]=3 694 B11R1.75 CC(=O)NCc1ncc(s1)Br 11a_100016991807_100015343762 [0,1,0,0,0,0|2,1,0]=4 695 B11R1.75 CC(=O)NCc1ncc(s1)Br 240690a_100016991807_100015343762 [0,1,0,0,0,0|2,1,0]=4 696 B11R1.75 CC(=O)NCc1ncc(s1)Br 527a_100016991807_100103153847 [0,1,0,0,0,0|2,1,0]=4 697 B11R1.75 CC(=O)NCc1nnc(o1)C 11a_200000236979_100015343762 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.75 CC(=O)NCc1nnc(o1)C 240690a_200000236979_100015343762 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.75 CC(=O)NCc1nnc(o1)C 527a_200000236979_100103153847 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.75 CC(=O)OCc1cn(nn1)C 274090a_200000210301_100000006626 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.75 CC(=O)OCc1cn(nn1)[13CH3] 274090a_200025704644_100000006626 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.75 CC(=O)OCc1nc(no1)C 270196a_100000212224_100000183556 [0,1,0,0,0,0|2,0,0]=3 703 B11R1.75 CC(=O)SCc1nc(no1)C 270196a_100000212224_100000049016 [0,1,0,0,0,0|2,1,0]=4 704 B11R1.75 CC(C)NCc1ccc(o1)Br 207a_100138425928_100000185145 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.75 CC(C)NCc1ccc(o1)Br 34a_100000708654_100000210206 [0,1,0,0,0,0|2,0,1]=4 706 B11R1.75 CC(C)NCc1ccc(o1)Cl 207a_100138425928_100000188459 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.75 CC(C)NCc1ccc(o1)I 207a_100138425928_100000186757 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.75 CC(C)OCc1cc(cs1)Br 34a_100000212225_100000746031 [0,1,0,0,0,0|1,1,1]=4 709 B11R1.75 CC(C)OCc1cc(cs1)Br 34a_100000238369_100000210206 [0,1,0,0,0,0|1,1,1]=4 710 B11R1.75 CC(C)OCc1cc(cs1)Br 7a_100000238369_100000210206 [0,1,0,0,0,0|1,1,1]=4 711 B11R1.75 CC(C)OCc1cc(no1)Br 34a_100009816691_100000210206 [0,1,0,0,0,0|2,0,1]=4 712 B11R1.75 CC(C)OCc1ccc(o1)Br 34a_100000246276_100000210206 [0,1,0,0,0,0|1,0,1]=3 713 B11R1.75 CC(C)OCc1ccc(o1)Br 7a_100000246276_100000210206 [0,1,0,0,0,0|1,0,1]=3 714 B11R1.75 CC(C)OCc1ccc(s1)Br 34a_100000212225_100000708592 [0,1,0,0,0,0|1,1,1]=4 715 B11R1.75 CC(C)OCc1ccc(s1)Cl 34a_100000212225_100000185097 [0,1,0,0,0,0|1,1,1]=4 716 B11R1.75 Cc1cc(on1)COC(C)C 34a_100000212225_100000707947 [0,1,0,0,0,0|2,0,1]=4 717 B11R1.75 Cc1cc(on1)COC(C)C 34a_100000684692_100000210206 [0,1,0,0,0,0|2,0,1]=4 718 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,1,0,0,0,0|1,0,1]=3 719 B11R1.75 Cc1ccc(o1)CNC(C)C 207a_100138425928_100000183696 [0,1,0,0,0,0|2,0,1]=4 720 B11R1.75 Cc1ccc(o1)CNC(C)C 34a_100011194323_100000210206 [0,1,0,0,0,0|2,0,1]=4 721 B11R1.75 Cc1ccc(o1)COC(C)C 34a_100011232665_100000210206 [0,1,0,0,0,0|1,0,1]=3 722 B11R1.75 Cc1ccc(o1)COC(C)C 7a_100011232665_100000210206 [0,1,0,0,0,0|1,0,1]=3 723 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [0,1,0,0,0,0|1,1,1]=4 724 B11R1.75 Cc1ccc(s1)COC(C)C 34a_100000238367_100000210206 [0,1,0,0,0,0|1,1,1]=4 725 B11R1.75 Cc1ccn(n1)CCC(=O)[13CH3] 1458a_100000759146_200025704644 [0,1,0,0,0,0|3,0,0]=4 726 B11R1.75 Cc1cnn(c1)CCC(=O)[13CH3] 1458a_100000743555_200025704644 [0,1,0,0,0,0|3,0,0]=4 727 B11R1.75 Cc1csc(c1)COC(C)C 34a_200000068372_100000210206 [0,1,0,0,0,0|1,1,1]=4 728 B11R1.75 Cc1csc(c1)COC(C)C 7a_200000068372_100000210206 [0,1,0,0,0,0|1,1,1]=4 729 B11R1.75 [13CH3]C(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200025704644 [0,1,0,0,0,0|1,1,1]=4 730 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [0,1,0,0,0,0|1,0,1]=3 731 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [0,1,0,0,0,0|1,0,1]=3 732 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200025704644 [0,1,0,0,0,0|1,1,1]=4 733 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200025704644 [0,1,0,0,0,0|1,1,1]=4 734 B11R1.75 [13CH3]C(=O)CCc1cc(no1)Cl 1458a_100000022696_200025704644 [0,1,0,0,0,0|2,0,0]=3 735 B11R1.75 [13CH3]C(=O)CCn1cc(cn1)Cl 1458a_100000743157_200025704644 [0,1,0,0,0,0|3,0,0]=4 736 B11R1.75 [13CH3]C(=O)CCn1cc(cn1)I 1458a_100012072392_200025704644 [0,1,0,0,0,0|3,0,0]=4 737 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [0,1,0,0,0,0|2,0,1]=4 738 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,1,0,0,0,0|1,0,1]=3 739 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [0,1,0,0,0,0|1,1,1]=4 740 B11R1.77 CC(=O)CC(C)n1cccn1 1458a_100011311474_200000210301 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [0,1,0,0,0,0|1,1,0]=3 742 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [0,1,0,0,0,0|1,1,0]=3 743 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [0,1,0,0,0,0|1,1,0]=3 744 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [0,1,0,0,0,0|1,1,0]=3 745 B11R1.77 CC(=O)NC(C)c1ccoc1 11a_100000690049_100015343762 [0,1,0,0,0,0|3,0,0]=4 746 B11R1.77 CC(=O)NC(C)c1ccoc1 1626a_100000690049_100015343762 [0,1,0,0,0,0|3,0,0]=4 747 B11R1.77 CC(=O)NC(C)c1ccoc1 240690a_100000690049_100015343762 [0,1,0,0,0,0|3,0,0]=4 748 B11R1.77 CC(=O)NC(C)c1ccoc1 527a_100000690049_100103153847 [0,1,0,0,0,0|3,0,0]=4 749 B11R1.77 CC(=O)NC(C)c1ccsc1 11a_100000748604_100015343762 [0,1,0,0,0,0|3,0,0]=4 750 B11R1.77 CC(=O)NC(C)c1ccsc1 1626a_100000748604_100015343762 [0,1,0,0,0,0|3,0,0]=4 751 B11R1.77 CC(=O)NC(C)c1ccsc1 240690a_100000748604_100015343762 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.77 CC(=O)NC(C)c1ccsc1 527a_100000748604_100103153847 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.77 CC(=O)NC(C)c1nccs1 11a_100000725601_100015343762 [0,1,0,0,0,0|2,1,0]=4 754 B11R1.77 CC(=O)NC(C)c1nccs1 1626a_100000725601_100015343762 [0,1,0,0,0,0|2,1,0]=4 755 B11R1.77 CC(=O)NC(C)c1nccs1 240690a_100000725601_100015343762 [0,1,0,0,0,0|2,1,0]=4 756 B11R1.77 CC(=O)NC(C)c1nccs1 527a_100000725601_100103153847 [0,1,0,0,0,0|2,1,0]=4 757 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,1,0,0,0,0|1,0,0]=2 758 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,1,0,0,0,0|1,0,0]=2 759 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,1,0,0,0,0|1,0,0]=2 760 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,1,0,0,0,0|1,0,0]=2 761 B11R1.77 CC(=O)OC(C)N1CC=CC1 269982a_100015195280_100009818208 [0,1,0,0,0,0|2,0,1]=4 762 B11R1.77 CC(C)C[C@H](N)c1ccco1 271570a_100015190218_100009814098 [0,1,0,0,0,0|2,0,1]=4 763 B11R1.77 CC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000210206 [0,1,0,0,0,0|2,0,1]=4 764 B11R1.77 CC(C)O[C@@H](C)c1ccco1 34a_100000755270_100000210206 [0,1,0,0,0,0|1,0,1]=3 765 B11R1.77 CC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000210206 [0,1,0,0,0,0|1,0,1]=3 766 B11R1.77 CC(C)O[C@H](C)c1cccs1 7a_100000750433_100000210206 [0,1,0,0,0,0|1,1,1]=4 767 B11R1.77 CC(CC(=O)[13CH3])n1cccn1 1458a_100011311474_200025704644 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,1,0,0,0,0|1,1,1]=4 769 B11R1.90 CC(=O)CCc1ccnn1C 1458a_100000763893_200000210301 [0,1,0,0,0,0|3,0,0]=4 770 B11R1.90 CC(=O)CCc1nccn1C 1458a_200011261795_200000210301 [0,1,0,0,0,0|3,0,0]=4 771 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [0,1,0,0,0,0|2,1,0]=4 772 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [0,1,0,0,0,0|2,1,0]=4 773 B11R1.90 CC(=O)CCn1nccc1C 1458a_100000070787_100011934269 [0,1,0,0,0,0|3,0,0]=4 774 B11R1.90 CC(=O)CCn1nccc1C 1458a_200000759149_200000210301 [0,1,0,0,0,0|3,0,0]=4 775 B11R1.90 CC(=O)NCc1cccn1C 11a_100011219357_100015343762 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.90 CC(=O)NCc1cccn1C 1626a_100011219357_100015343762 [0,1,0,0,0,0|2,0,0]=3 777 B11R1.90 CC(=O)NCc1cccn1C 240690a_100011219357_100015343762 [0,1,0,0,0,0|2,0,0]=3 778 B11R1.90 CC(=O)NCc1cccn1C 527a_100011219357_100103153847 [0,1,0,0,0,0|2,0,0]=3 779 B11R1.90 CC(=O)NCc1ccnn1C 11a_100025706696_100015343762 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.90 CC(=O)NCc1ccnn1C 240690a_100025706696_100015343762 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.90 CC(=O)NCc1ccnn1C 527a_100025706696_100103153847 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.90 CC(=O)NCc1ccsc1Br 11a_100000727803_100015343762 [0,1,0,0,0,0|3,0,0]=4 783 B11R1.90 CC(=O)NCc1ccsc1Br 1626a_100000727803_100015343762 [0,1,0,0,0,0|3,0,0]=4 784 B11R1.90 CC(=O)NCc1ccsc1Br 240690a_100000727803_100015343762 [0,1,0,0,0,0|3,0,0]=4 785 B11R1.90 CC(=O)NCc1ccsc1Br 527a_100000727803_100103153847 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.90 CC(=O)NCc1cncn1C 11a_100000732891_100015343762 [0,1,0,0,0,0|3,0,0]=4 787 B11R1.90 CC(=O)NCc1cncn1C 240690a_100000732891_100015343762 [0,1,0,0,0,0|3,0,0]=4 788 B11R1.90 CC(=O)NCc1cncn1C 527a_100000732891_100103153847 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.90 CC(=O)NCc1nccn1C 11a_100015186572_100015343762 [0,1,0,0,0,0|3,0,0]=4 790 B11R1.90 CC(=O)NCc1nccn1C 240690a_100015186572_100015343762 [0,1,0,0,0,0|3,0,0]=4 791 B11R1.90 CC(=O)NCc1nccn1C 527a_100015186572_100103153847 [0,1,0,0,0,0|3,0,0]=4 792 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [0,1,0,0,0,0|1,1,0]=3 793 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [0,1,0,0,0,0|1,1,0]=3 794 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [0,1,0,0,0,0|1,1,0]=3 795 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [0,1,0,0,0,0|1,1,0]=3 796 B11R1.90 CC(=O)NCc1sccc1Cl 11a_100011934584_100015343762 [0,1,0,0,0,0|1,1,0]=3 797 B11R1.90 CC(=O)NCc1sccc1Cl 1626a_100011934584_100015343762 [0,1,0,0,0,0|1,1,0]=3 798 B11R1.90 CC(=O)NCc1sccc1Cl 240690a_100011934584_100015343762 [0,1,0,0,0,0|1,1,0]=3 799 B11R1.90 CC(=O)NCc1sccc1Cl 527a_100011934584_100103153847 [0,1,0,0,0,0|1,1,0]=3 800 B11R1.90 CC(=O)NCc1scnc1C 11a_100000752186_100015343762 [0,1,0,0,0,0|2,1,0]=4 801 B11R1.90 CC(=O)NCc1scnc1C 1626a_100000752186_100015343762 [0,1,0,0,0,0|2,1,0]=4 802 B11R1.90 CC(=O)NCc1scnc1C 240690a_100000752186_100015343762 [0,1,0,0,0,0|2,1,0]=4 803 B11R1.90 CC(=O)NCc1scnc1C 527a_100000752186_100103153847 [0,1,0,0,0,0|2,1,0]=4 804 B11R1.90 CC(C)OCc1sccc1Br 34a_100000702026_100000210206 [0,1,0,0,0,0|1,1,1]=4 805 B11R1.90 CC(C)OCc1sccc1Cl 34a_100000722387_100000210206 [0,1,0,0,0,0|1,1,1]=4 806 B11R1.90 CC(C)OCc1sccc1Cl 7a_100000722387_100000210206 [0,1,0,0,0,0|1,1,1]=4 807 B11R1.90 Cc1ccnn1CCC(=O)[13CH3] 1458a_200000759149_200025704644 [0,1,0,0,0,0|3,0,0]=4 808 B11R1.90 Cc1ccoc1CNC(C)C 207a_100138425928_100000763527 [0,1,0,0,0,0|2,0,1]=4 809 B11R1.90 Cc1ccoc1COC(C)C 34a_100011273948_100000210206 [0,1,0,0,0,0|1,0,1]=3 810 B11R1.90 Cc1ccoc1COC(C)C 7a_100011273948_100000210206 [0,1,0,0,0,0|1,0,1]=3 811 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,1,0,0,0,0|1,1,1]=4 812 B11R1.90 Cc1ccsc1COC(C)C 34a_100000238368_100000210206 [0,1,0,0,0,0|1,1,1]=4 813 B11R1.90 Cc1ccsc1COC(C)C 7a_100000238368_100000210206 [0,1,0,0,0,0|1,1,1]=4 814 B11R1.90 Cc1cnoc1COC(C)C 34a_200011065769_100000210206 [0,1,0,0,0,0|2,0,1]=4 815 B11R1.90 Cc1ncoc1COC(C)C 34a_100000717716_100000210206 [0,1,0,0,0,0|2,0,1]=4 816 B11R1.90 Cc1ncoc1COC(C)C 7a_100000717716_100000210206 [0,1,0,0,0,0|2,0,1]=4 817 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [0,1,0,0,0,0|2,1,0]=4 818 B11R1.90 Cn1ccnc1CCC(=O)[13CH3] 1458a_200011261795_200025704644 [0,1,0,0,0,0|3,0,0]=4 819 B11R1.90 Cn1nccc1CCC(=O)[13CH3] 1458a_100000763893_200025704644 [0,1,0,0,0,0|3,0,0]=4 820 B11R1.510 CC(C)(C)NCc1ccco1 207a_100000715429_100000186105 [0,1,0,0,0,0|2,0,1]=4 821 B11R1.510 CC(C)(C)NCc1ccco1 34a_100000185738_100000210625 [0,1,0,0,0,0|2,0,1]=4 822 B11R1.510 CC(C)(C)OCc1ccco1 34a_100000210059_100000210625 [0,1,0,0,0,0|1,0,1]=3 823 B11R1.510 CC(C)(C)OCc1cccs1 34a_100000211240_100000210625 [0,1,0,0,0,0|1,1,1]=4 824 B11R1.510 CC(C)(C)OCc1ccno1 34a_100000740478_100000210625 [0,1,0,0,0,0|2,0,1]=4 825 B11R1.510 CC(C)(C)OCc1ncco1 34a_100000062594_100000210625 [0,1,0,0,0,0|2,0,1]=4 826 B11R1.510 CC(C)(C)OCc1ncco1 34a_100015890283_103436540062 [0,1,0,0,0,0|2,0,1]=4 827 B11R1.510 CC(C)(C)OCc1ncco1 7a_100015890283_103436540062 [0,1,0,0,0,0|2,0,1]=4 828 B11R1.510 CS(=O)(=O)NCc1ccc[nH]1 40a_100000764082_100000738038 [0,1,0,0,0,0|3,0,0]=4 829 B11R1.510 CS(=O)(=O)NCc1ccco1 40a_100000185738_100000738038 [0,1,0,0,0,0|2,0,0]=3 830 B11R1.510 CS(=O)(=O)NCc1cccs1 40a_100000211653_100000738038 [0,1,0,0,0,0|2,1,0]=4 831 B11R1.510 CS(=O)(=O)NCc1cnco1 40a_100020634212_100000738038 [0,1,0,0,0,0|3,0,0]=4 832 B11R1.510 CS(=O)(=O)NCc1ncco1 40a_100016994969_100000738038 [0,1,0,0,0,0|3,0,0]=4 833 B11R1.510 FC(F)(F)OCc1ccco1 34a_100000210059_200103152311 [0,1,0,0,0,0|2,0,1]=4 834 B9R0.2 C/C=C/C=C/COC(C)C 34a_100016283227_100000210206 [0,0,1,0,0,0|2,0,1]=4 835 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [0,0,1,0,0,0|2,0,1]=4 836 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [0,0,1,0,0,0|2,0,1]=4 837 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [0,0,1,0,0,0|2,0,1]=4 838 B9R0.2 C=CCCOCOC(=O)C 34a_100011205117_100009813279 [0,0,1,0,0,0|2,0,1]=4 839 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [0,0,1,0,0,0|2,0,1]=4 840 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [0,0,1,0,0,0|2,0,1]=4 841 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,0,1,0,0,0|1,0,2]=4 842 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,0,1,0,0,0|1,0,2]=4 843 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,0,1,0,0,0|1,0,2]=4 844 B9R0.2 C=CCOCCNC(=O)C 34a_100000158858_100015514636 [0,0,1,0,0,0|1,0,2]=4 845 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [0,0,1,0,0,0|0,0,2]=3 846 B9R0.2 C=CCOCCOC(=O)N 34a_200000210373_200011214921 [0,0,1,0,0,0|1,0,2]=4 847 B9R0.2 C=CCOCCOC(=O)N 7a_100000766696_100015514636 [0,0,1,0,0,0|1,0,2]=4 848 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [0,0,1,0,0,0|0,1,2]=4 849 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [0,0,1,0,0,0|0,1,2]=4 850 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [0,0,1,0,0,0|2,0,1]=4 851 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [0,0,1,0,0,0|2,0,1]=4 852 B9R0.48 C=CCC(=O)CNC(=O)C 1458a_100000194580_100000210623 [0,0,1,0,0,0|1,0,2]=4 853 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [0,0,1,0,0,0|0,0,2]=3 854 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [0,0,1,0,0,0|0,1,2]=4 855 B9R0.48 C=CCN(C)COC(=O)C 269982a_100000225617_100000076356 [0,0,1,0,0,0|2,0,1]=4 856 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,0,1,0,0,0|2,0,1]=4 857 B11R2.385 c1cc(on1)COC2CC2 34a_100000740478_100000211595 [0,0,0,1,0,0|2,0,1]=4 858 B11R2.385 c1coc(c1)CNC2CC2 34a_100000185738_100000211595 [0,0,0,1,0,0|2,0,1]=4 859 B11R2.385 c1coc(c1)COC2CC2 34a_100000210059_100000211595 [0,0,0,1,0,0|1,0,1]=3 860 B11R2.385 c1coc(n1)COC2CC2 34a_100000062594_100000211595 [0,0,0,1,0,0|2,0,1]=4 861 B11R2.385 c1csc(c1)COC2CC2 34a_100000211240_100000211595 [0,0,0,1,0,0|1,1,1]=4 862 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,0,0,0,1,0|1,0,1]=3 863 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,0,0,0,1,0|1,1,1]=4 864 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [0,0,0,0,1,0|2,0,1]=4 865 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,0,0,0,1,0|2,0,1]=4 866 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,0,1,0|1,0,2]=4 867 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,0,0,0,1,0|1,0,2]=4 868 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [0,0,0,0,1,0|1,0,2]=4 869 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,1,0|2,0,0]=3 870 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,1,0|2,0,0]=3 871 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,1,0|1,0,0]=2 872 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,1,0|0,0,0]=1 873 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,1,0|0,1,0]=2 874 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,0,0,0,1,0|2,0,0]=3 875 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,0,0,0,1,0|2,0,0]=3 876 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,1,0|2,0,0]=3 877 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,1,0|2,0,0]=3 878 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,1,0|2,0,0]=3 879 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,1,0|2,0,0]=3 880 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,1,0|1,1,0]=3 881 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,1,0|2,0,0]=3 882 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,1,0|2,0,0]=3 883 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,1,0|1,0,0]=2 884 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,1,0|1,1,0]=3 885 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,0,0,1,0|2,0,0]=3 886 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,1,0|2,0,0]=3 887 B9R1.13 CC(=O)Cn1ccnc1 1458a_100000739072_200000210301 [0,0,0,0,1,0|3,0,0]=4 888 B9R1.13 CC(=O)Cn1ccnn1 1458a_100000080816_200000210301 [0,0,0,0,1,0|3,0,0]=4 889 B9R1.13 CC(=O)Cn1cncn1 1458a_100000070787_200020645497 [0,0,0,0,1,0|3,0,0]=4 890 B9R1.13 CC(=O)Cn1cncn1 1458a_100000699347_200000210301 [0,0,0,0,1,0|3,0,0]=4 891 B9R1.13 CC(=O)Cn1nccn1 1458a_100000080817_200000210301 [0,0,0,0,1,0|3,0,0]=4 892 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,0,0,0,1,0|1,1,1]=4 893 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,0,0,0,1,0|1,1,1]=4 894 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [0,0,0,0,1,0|2,0,0]=3 895 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [0,0,0,0,1,0|2,0,0]=3 896 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [0,0,0,0,1,0|2,0,0]=3 897 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [0,0,0,0,1,0|2,1,0]=4 898 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [0,0,0,0,1,0|2,1,0]=4 899 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [0,0,0,0,1,0|2,1,0]=4 900 B9R1.13 CN(C)Cc1cnco1 270004a_100102631434_100000064291 [0,0,0,0,1,0|3,0,0]=4 901 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [0,0,0,0,1,0|3,0,0]=4 902 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [0,0,0,0,1,0|3,0,0]=4 903 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [0,0,0,0,1,0|3,0,0]=4 904 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [0,0,0,0,1,0|2,0,0]=3 905 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [0,0,0,0,1,0|2,0,0]=3 906 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [0,0,0,0,1,0|2,1,0]=4 907 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [0,0,0,0,1,0|2,1,0]=4 908 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,0,1,0|1,0,2]=4 909 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,0,0,0,1,0|1,0,2]=4 910 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [0,0,0,0,1,0|1,0,2]=4 911 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,1,0|2,0,0]=3 912 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,1,0|1,0,0]=2 913 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,1,0|0,0,0]=1 914 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,1,0|0,1,0]=2 915 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,0,0,0,1,0|2,0,0]=3 916 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,1,0|2,0,0]=3 917 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,1,0|2,0,0]=3 918 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,1,0|2,0,0]=3 919 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,0,0,1,0|2,0,0]=3 920 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,1,0|2,0,0]=3 921 B9R1.13 [13CH3]C(=O)Cn1ccnc1 1458a_100000739072_200025704644 [0,0,0,0,1,0|3,0,0]=4 922 B9R1.13 [13CH3]C(=O)Cn1ccnn1 1458a_100000080816_200025704644 [0,0,0,0,1,0|3,0,0]=4 923 B9R1.13 [13CH3]C(=O)Cn1cncn1 1458a_100000699347_200025704644 [0,0,0,0,1,0|3,0,0]=4 924 B9R1.13 [13CH3]C(=O)Cn1nccn1 1458a_100000080817_200025704644 [0,0,0,0,1,0|3,0,0]=4 925 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,1|2,0,1]=4 926 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,1|2,0,1]=4 927 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,1|2,0,1]=4 928 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,1|2,0,1]=4 929 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,1|2,0,1]=4 930 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,0,0,0,0,1|2,0,1]=4 931 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,1|2,0,0]=3 932 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,1|2,0,0]=3 933 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,1|2,0,0]=3 934 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,1|2,0,0]=3 935 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,1|2,0,0]=3 936 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,1|2,0,0]=3 937 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,1|2,0,0]=3 938 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,1|2,0,0]=3 939 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,1|3,0,0]=4 940 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,1|3,0,0]=4 941 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,1|3,0,0]=4 942 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,1|3,0,0]=4 943 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,1|3,0,0]=4 944 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,1|3,0,0]=4 945 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,1|2,0,0]=3 946 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,1|2,0,0]=3 947 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,1|2,0,0]=3 948 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,1|2,0,0]=3 949 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,1|2,0,0]=3 950 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,1|2,0,0]=3 951 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,1|2,0,0]=3 952 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,1|2,0,0]=3 953 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,1|2,0,0]=3 954 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,1|2,0,0]=3 955 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,1|2,0,0]=3 956 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,0,0,0,0,1|2,0,0]=3 957 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,0,0,0,0,1|2,0,0]=3 958 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,0,0,0,0,1|2,0,0]=3 959 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,1|2,0,0]=3 960 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,1|2,0,0]=3 961 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,1|2,0,0]=3 962 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,1|2,0,0]=3 963 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,0,0,0,0,1|2,0,0]=3 964 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,0,0,0,0,1|2,0,0]=3 965 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,0,0,0,0,1|2,0,0]=3 966 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,0,0,0,0,1|2,0,0]=3 967 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,0,0,0,0,1|2,0,0]=3 968 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,0,0,0,0,1|2,0,0]=3 969 B11R1.91 CC(=O)NCc1cncnc1 11a_100011243677_100015343762 [0,0,0,0,0,1|3,0,0]=4 970 B11R1.91 CC(=O)NCc1cncnc1 240690a_100011243677_100015343762 [0,0,0,0,0,1|3,0,0]=4 971 B11R1.91 CC(=O)NCc1cncnc1 527a_100011243677_100103153847 [0,0,0,0,0,1|3,0,0]=4 972 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,0,0,0,0,1|2,0,0]=3 973 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,0,0,0,0,1|2,0,0]=3 974 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,0,0,0,0,1|2,0,0]=3 975 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,1|3,0,0]=4 976 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,1|3,0,0]=4 977 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,1|3,0,0]=4 978 B11R1.91 CC(=O)NNc1cccnn1 22a_100000757824_100000070787 [0,0,0,0,0,1|3,0,0]=4 979 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,0,0,0,0,1|3,0,0]=4 980 B11R1.91 CC(=O)NNc1ccncn1 22a_100011438088_100000070787 [0,0,0,0,0,1|3,0,0]=4 981 B11R1.91 CC(=O)NNc1cnccn1 22a_100000736894_100000070787 [0,0,0,0,0,1|3,0,0]=4 982 B11R1.91 CC(=O)NNc1ncccn1 22a_100000736892_100000070787 [0,0,0,0,0,1|3,0,0]=4 983 B11R1.91 CC(=O)OCN1CC=CCC1 269982a_100000698166_100000076356 [0,0,0,0,0,1|2,0,1]=4 984 B11R1.91 CC(=O)OCN1CC=CCC1 34a_100000698166_100009813279 [0,0,0,0,0,1|2,0,1]=4 985 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,0,0,0,0,1|2,0,1]=4 986 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,0,0,0,0,1|2,0,1]=4 987 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,0,0,0,0,1|2,0,1]=4 988 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [0,0,0,0,0,1|2,0,1]=4 989 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [0,0,0,0,0,1|2,0,1]=4 990 B11R1.91 CC(C)OCc1cccnn1 34a_100000212225_100016990269 [0,0,0,0,0,1|2,0,1]=4 991 B11R1.91 CC(C)OCc1cnccn1 34a_100000212225_100016995436 [0,0,0,0,0,1|2,0,1]=4 992 B11R1.91 CC(C)OCc1ncccn1 34a_100000212225_100000703007 [0,0,0,0,0,1|2,0,1]=4 993 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,1|2,0,1]=4 994 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,1|2,0,1]=4 995 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,1|2,0,1]=4 996 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,1|2,0,1]=4 997 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,1|2,0,1]=4 998 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,0,0,0,0,1|2,0,1]=4 999 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,1|2,0,0]=3 1000 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,1|2,0,0]=3 1001 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,1|2,0,0]=3 1002 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,1|2,0,0]=3 1003 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,1|3,0,0]=4 1004 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,1|3,0,0]=4 1005 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,1|3,0,0]=4 1006 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,1|3,0,0]=4 1007 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,1|3,0,0]=4 1008 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,1|3,0,0]=4 1009 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [0,0,0,0,0,1|2,0,0]=3 1010 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [0,0,0,0,0,1|2,0,0]=3 1011 B11R1.172 C=C(C)CCSc1cccs1 62a_100000730704_100011215356 [0,0,0,0,0,1|2,1,0]=4 1012 B11R1.172 C=C(C)CCSc1cccs1 62a_100011215356_100000730704 [0,0,0,0,0,1|2,1,0]=4 1013 B11R1.172 C=C(C)CCSc1cnco1 62a_100000730704_100020591547 [0,0,0,0,0,1|3,0,0]=4 1014 B11R1.172 C=C(C)CCSc1cnco1 62a_100020591547_100000730704 [0,0,0,0,0,1|3,0,0]=4 1015 B11R1.172 C=C(C)CCSc1ncco1 62a_100000730704_100011787736 [0,0,0,0,0,1|3,0,0]=4 1016 B11R1.172 C=C(C)CCSc1ncco1 62a_100011787736_100000730704 [0,0,0,0,0,1|3,0,0]=4 1017 B11R1.172 C=C(C)CNCc1ccco1 2230a_100000185738_100000748629 [0,0,0,0,0,1|2,0,0]=3 1018 B11R1.172 C=C(C)CNCc1ccco1 34a_100000185738_100000748629 [0,0,0,0,0,1|2,0,0]=3 1019 B11R1.172 C=C(C)CNCc1cccs1 2230a_100000211653_100000748629 [0,0,0,0,0,1|2,1,0]=4 1020 B11R1.172 C=C(C)CNCc1ncco1 2230a_100016994969_100000748629 [0,0,0,0,0,1|3,0,0]=4 1021 B11R1.172 C=C(C)COCc1c[nH]cn1 34a_100000210245_100000707719 [0,0,0,0,0,1|3,0,0]=4 1022 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [0,0,0,0,0,1|1,0,0]=2 1023 B11R1.172 C=C(C)COCc1cccs1 34a_100000211240_100000748629 [0,0,0,0,0,1|1,1,0]=3 1024 B11R1.172 C=C(C)COCc1ccn[nH]1 34a_100000210245_100000728653 [0,0,0,0,0,1|3,0,0]=4 1025 B11R1.172 C=C(C)COCc1ccno1 34a_100000740478_100000748629 [0,0,0,0,0,1|2,0,0]=3 1026 B11R1.172 C=C(C)COCc1ccoc1 34a_100011215357_100000748629 [0,0,0,0,0,1|3,0,0]=4 1027 B11R1.172 C=C(C)COCc1ccon1 34a_100000210245_100000234950 [0,0,0,0,0,1|3,0,0]=4 1028 B11R1.172 C=C(C)COCc1ccsc1 34a_100000210245_100011261437 [0,0,0,0,0,1|3,0,0]=4 1029 B11R1.172 C=C(C)COCc1ccsc1 34a_100011215551_100000748629 [0,0,0,0,0,1|3,0,0]=4 1030 B11R1.172 C=C(C)COCc1cncs1 34a_100000210245_100015185245 [0,0,0,0,0,1|2,1,0]=4 1031 B11R1.172 C=C(C)COCc1cscn1 34a_100000210245_100000205941 [0,0,0,0,0,1|3,0,0]=4 1032 B11R1.172 C=C(C)COCc1ncc[nH]1 34a_100000210245_100016991755 [0,0,0,0,0,1|3,0,0]=4 1033 B11R1.172 C=C(C)COCc1ncco1 34a_100000062594_100000748629 [0,0,0,0,0,1|2,0,0]=3 1034 B11R1.172 C=C(C)COCc1ncco1 34a_100000210245_103436540062 [0,0,0,0,0,1|2,0,0]=3 1035 B11R1.172 C=C(C)COCc1nccs1 34a_100000210245_100015184050 [0,0,0,0,0,1|2,1,0]=4 1036 B11R1.172 C=C(C)COCn1cccn1 34a_100000731028_100000748629 [0,0,0,0,0,1|3,0,0]=4 1037 B11R1.172 C=C(C)CSCc1ncco1 62a_100000748629_103436540062 [0,0,0,0,0,1|2,1,0]=4 1038 B11R1.172 C=C(C)CSCc1ncco1 62a_103436540062_100000211660 [0,0,0,0,0,1|2,1,0]=4 1039 B11R1.172 C=C(F)CNCc1ccco1 2230a_100000185738_100009893438 [0,0,0,0,0,1|2,0,1]=4 1040 B11R1.172 C=C(F)CNCc1ccco1 34a_100000185738_100009893438 [0,0,0,0,0,1|2,0,1]=4 1041 B11R1.172 C=C(F)COCc1ccco1 34a_100000210059_100009893438 [0,0,0,0,0,1|1,0,1]=3 1042 B11R1.172 C=C(F)COCc1cccs1 34a_100000211240_100009893438 [0,0,0,0,0,1|1,1,1]=4 1043 B11R1.172 C=C(F)COCc1ccno1 34a_100000740478_100009893438 [0,0,0,0,0,1|2,0,1]=4 1044 B11R1.172 C=C(F)COCc1ncco1 34a_100000062594_100009893438 [0,0,0,0,0,1|2,0,1]=4 1045 B11R1.172 C=C(F)COCc1ncco1 34a_200010262243_103436540062 [0,0,0,0,0,1|2,0,1]=4 1046 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [0,0,0,0,0,1|2,0,0]=3 1047 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [0,0,0,0,0,1|2,0,0]=3 1048 B11R1.172 CC(=CCSc1cccs1)C 62a_100000761012_100011215356 [0,0,0,0,0,1|2,1,0]=4 1049 B11R1.172 CC(=CCSc1cccs1)C 62a_100011215356_100000761012 [0,0,0,0,0,1|2,1,0]=4 1050 B11R1.172 CC(=CCSc1cnco1)C 62a_100000761012_100020591547 [0,0,0,0,0,1|3,0,0]=4 1051 B11R1.172 CC(=CCSc1cnco1)C 62a_100020591547_100000761012 [0,0,0,0,0,1|3,0,0]=4 1052 B11R1.172 CC(=CCSc1ncco1)C 62a_100000761012_100011787736 [0,0,0,0,0,1|3,0,0]=4 1053 B11R1.172 CC(=CCSc1ncco1)C 62a_100011787736_100000761012 [0,0,0,0,0,1|3,0,0]=4 1054 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,0,0,0,0,1|1,1,0]=3 1055 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,0,0,0,0,1|1,1,0]=3 1056 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000070787_200009814367 [0,0,0,0,0,1|3,0,0]=4 1057 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000691410_200000210301 [0,0,0,0,0,1|3,0,0]=4 1058 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000070787_100000739983 [0,0,0,0,0,1|3,0,0]=4 1059 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000742828_200000210301 [0,0,0,0,0,1|3,0,0]=4 1060 B11R1.172 CC(=O)CCOc1ccsc1 7a_100000106738_100000053229 [0,0,0,0,0,1|3,0,0]=4 1061 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000053229_100000756875 [0,0,0,0,0,1|3,0,0]=4 1062 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000756875_100000053229 [0,0,0,0,0,1|3,0,0]=4 1063 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000053229_100000062575 [0,0,0,0,0,1|3,0,0]=4 1064 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000062575_100000053229 [0,0,0,0,0,1|3,0,0]=4 1065 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,0,0,0,0,1|1,0,0]=2 1066 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,0,0,0,0,1|1,0,0]=2 1067 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,0,0,0,0,1|1,1,0]=3 1068 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,0,0,0,0,1|1,1,0]=3 1069 B11R1.172 CC(=O)CCSc1ccoc1 62a_100000053229_100011215275 [0,0,0,0,0,1|3,0,0]=4 1070 B11R1.172 CC(=O)CCSc1ccoc1 62a_100011215275_100000053229 [0,0,0,0,0,1|3,0,0]=4 1071 B11R1.172 CC(=O)CCSc1ccon1 62a_100000053229_100009818083 [0,0,0,0,0,1|3,0,0]=4 1072 B11R1.172 CC(=O)CCSc1ccon1 62a_100009818083_100000053229 [0,0,0,0,0,1|3,0,0]=4 1073 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000053229_100000738268 [0,0,0,0,0,1|3,0,0]=4 1074 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000738268_100000053229 [0,0,0,0,0,1|3,0,0]=4 1075 B11R1.172 CC(=O)CCSc1ccsn1 62a_100000053229_100009818082 [0,0,0,0,0,1|3,0,0]=4 1076 B11R1.172 CC(=O)CCSc1ccsn1 62a_100009818082_100000053229 [0,0,0,0,0,1|3,0,0]=4 1077 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [0,0,0,0,0,1|2,0,0]=3 1078 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [0,0,0,0,0,1|2,0,0]=3 1079 B11R1.172 CC(=O)CCSc1cncs1 62a_100000053229_100011934649 [0,0,0,0,0,1|2,1,0]=4 1080 B11R1.172 CC(=O)CCSc1cncs1 62a_100011934649_100000053229 [0,0,0,0,0,1|2,1,0]=4 1081 B11R1.172 CC(=O)CCSc1cscn1 62a_100000053229_100000751502 [0,0,0,0,0,1|3,0,0]=4 1082 B11R1.172 CC(=O)CCSc1cscn1 62a_100000751502_100000053229 [0,0,0,0,0,1|3,0,0]=4 1083 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100000053229_100025796157 [0,0,0,0,0,1|3,0,0]=4 1084 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100025796157_100000053229 [0,0,0,0,0,1|3,0,0]=4 1085 B11R1.172 CC(=O)CCSc1ncco1 62a_100000053229_100011787736 [0,0,0,0,0,1|2,0,0]=3 1086 B11R1.172 CC(=O)CCSc1ncco1 62a_100011787736_100000053229 [0,0,0,0,0,1|2,0,0]=3 1087 B11R1.172 CC(=O)CCSc1nccs1 62a_100000053229_100000211983 [0,0,0,0,0,1|2,1,0]=4 1088 B11R1.172 CC(=O)CCSc1nccs1 62a_100000211983_100000053229 [0,0,0,0,0,1|2,1,0]=4 1089 B11R1.172 CC(=O)COCc1c[nH]cn1 34a_100000211253_100000707719 [0,0,0,0,0,1|2,0,0]=3 1090 B11R1.172 CC(=O)COCc1ccn[nH]1 34a_100000211253_100000728653 [0,0,0,0,0,1|2,0,0]=3 1091 B11R1.172 CC(=O)COCc1ccon1 34a_100000211253_100000234950 [0,0,0,0,0,1|2,0,0]=3 1092 B11R1.172 CC(=O)COCc1ccsc1 34a_100000211253_100011261437 [0,0,0,0,0,1|2,0,0]=3 1093 B11R1.172 CC(=O)COCc1cncs1 34a_100000211253_100015185245 [0,0,0,0,0,1|1,1,0]=3 1094 B11R1.172 CC(=O)COCc1cscn1 34a_100000211253_100000205941 [0,0,0,0,0,1|2,0,0]=3 1095 B11R1.172 CC(=O)COCc1ncc[nH]1 34a_100000211253_100016991755 [0,0,0,0,0,1|2,0,0]=3 1096 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [0,0,0,0,0,1|1,0,0]=2 1097 B11R1.172 CC(=O)COCc1nccs1 34a_100000211253_100015184050 [0,0,0,0,0,1|1,1,0]=3 1098 B11R1.172 CC(=O)COCc1ncon1 34a_100000211253_100000233494 [0,0,0,0,0,1|3,0,0]=4 1099 B11R1.172 CC(=O)COCn1cncn1 34a_100000211253_200020645497 [0,0,0,0,0,1|3,0,0]=4 1100 B11R1.172 CC(=O)NCCc1c[nH]cn1 11a_100000755092_100015343762 [0,0,0,0,0,1|3,0,0]=4 1101 B11R1.172 CC(=O)NCCc1c[nH]cn1 527a_100000755092_100103153847 [0,0,0,0,0,1|3,0,0]=4 1102 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,0,0,0,0,1|1,0,0]=2 1103 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,0,0,0,0,1|1,0,0]=2 1104 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,0,0,0,0,1|1,0,0]=2 1105 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,0,0,0,0,1|1,0,0]=2 1106 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,0,0,0,0,1|1,1,0]=3 1107 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,0,0,0,0,1|1,1,0]=3 1108 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,0,0,0,0,1|1,1,0]=3 1109 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,0,0,0,0,1|1,1,0]=3 1110 B11R1.172 CC(=O)NCCc1ccsc1 11a_100000692642_100015343762 [0,0,0,0,0,1|3,0,0]=4 1111 B11R1.172 CC(=O)NCCc1ccsc1 1626a_100000692642_100015343762 [0,0,0,0,0,1|3,0,0]=4 1112 B11R1.172 CC(=O)NCCc1ccsc1 240690a_100000692642_100015343762 [0,0,0,0,0,1|3,0,0]=4 1113 B11R1.172 CC(=O)NCCc1ccsc1 527a_100000692642_100103153847 [0,0,0,0,0,1|3,0,0]=4 1114 B11R1.172 CC(=O)NCCc1cncs1 11a_100016991637_100015343762 [0,0,0,0,0,1|2,1,0]=4 1115 B11R1.172 CC(=O)NCCc1cncs1 1626a_100016991637_100015343762 [0,0,0,0,0,1|2,1,0]=4 1116 B11R1.172 CC(=O)NCCc1cncs1 240690a_100016991637_100015343762 [0,0,0,0,0,1|2,1,0]=4 1117 B11R1.172 CC(=O)NCCc1cncs1 527a_100016991637_100103153847 [0,0,0,0,0,1|2,1,0]=4 1118 B11R1.172 CC(=O)NCCc1ncc[nH]1 11a_100000754300_100015343762 [0,0,0,0,0,1|3,0,0]=4 1119 B11R1.172 CC(=O)NCCc1ncc[nH]1 240690a_100000754300_100015343762 [0,0,0,0,0,1|3,0,0]=4 1120 B11R1.172 CC(=O)NCCc1ncc[nH]1 527a_100000754300_100103153847 [0,0,0,0,0,1|3,0,0]=4 1121 B11R1.172 CC(=O)NCCc1nccs1 11a_100015186391_100015343762 [0,0,0,0,0,1|2,1,0]=4 1122 B11R1.172 CC(=O)NCCc1nccs1 1626a_100015186391_100015343762 [0,0,0,0,0,1|2,1,0]=4 1123 B11R1.172 CC(=O)NCCc1nccs1 240690a_100015186391_100015343762 [0,0,0,0,0,1|2,1,0]=4 1124 B11R1.172 CC(=O)NCCc1nccs1 527a_100015186391_100103153847 [0,0,0,0,0,1|2,1,0]=4 1125 B11R1.172 CC(=O)NCCn1cccc1 11a_100011368172_100015343762 [0,0,0,0,0,1|3,0,0]=4 1126 B11R1.172 CC(=O)NCCn1cccc1 240690a_100011368172_100015343762 [0,0,0,0,0,1|3,0,0]=4 1127 B11R1.172 CC(=O)NCCn1cccc1 527a_100011368172_100103153847 [0,0,0,0,0,1|3,0,0]=4 1128 B11R1.172 CC(=O)NCCn1cccn1 11a_100011200920_100015343762 [0,0,0,0,0,1|3,0,0]=4 1129 B11R1.172 CC(=O)NCCn1cccn1 240690a_100011200920_100015343762 [0,0,0,0,0,1|3,0,0]=4 1130 B11R1.172 CC(=O)NCCn1cccn1 527a_100011200920_100103153847 [0,0,0,0,0,1|3,0,0]=4 1131 B11R1.172 CC(=O)NN=Cc1ccc[nH]1 4a_100000189765_100000211237 [0,0,0,0,0,1|2,0,1]=4 1132 B11R1.172 CC(=O)NN=Cc1ccco1 4a_100000189765_100000186105 [0,0,0,0,0,1|1,0,1]=3 1133 B11R1.172 CC(=O)NN=Cc1cccs1 4a_100000189765_100000209959 [0,0,0,0,0,1|1,1,1]=4 1134 B11R1.172 CC(=O)NN=Cc1cnco1 4a_100000189765_100000064291 [0,0,0,0,0,1|2,0,1]=4 1135 B11R1.172 CC(=O)NN=Cc1ncco1 4a_100000189765_100000064290 [0,0,0,0,0,1|2,0,1]=4 1136 B11R1.172 CC(=O)OCCN1CC=CC1 269982a_100015195280_100009814007 [0,0,0,0,0,1|2,0,1]=4 1137 B11R1.172 CC(=O)OCOc1ccsc1 34a_100000106738_100009813279 [0,0,0,0,0,1|2,0,0]=3 1138 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000076356_100000756875 [0,0,0,0,0,1|2,0,0]=3 1139 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000756875_100000076356 [0,0,0,0,0,1|2,0,0]=3 1140 B11R1.172 CC(=O)OCSc1c[nH]nn1 62a_100000076356_100009819707 [0,0,0,0,0,1|3,0,0]=4 1141 B11R1.172 CC(=O)OCSc1c[nH]nn1 62a_100009819707_100000076356 [0,0,0,0,0,1|3,0,0]=4 1142 B11R1.172 CC(=O)OCSc1cc[nH]n1 62a_100000062575_100000076356 [0,0,0,0,0,1|2,0,0]=3 1143 B11R1.172 CC(=O)OCSc1cc[nH]n1 62a_100000076356_100000062575 [0,0,0,0,0,1|2,0,0]=3 1144 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,0,0,0,0,1|0,0,0]=1 1145 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,0,0,0,0,1|0,0,0]=1 1146 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [0,0,0,0,0,1|0,1,0]=2 1147 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [0,0,0,0,0,1|0,1,0]=2 1148 B11R1.172 CC(=O)OCSc1ccoc1 62a_100000076356_100011215275 [0,0,0,0,0,1|2,0,0]=3 1149 B11R1.172 CC(=O)OCSc1ccoc1 62a_100011215275_100000076356 [0,0,0,0,0,1|2,0,0]=3 1150 B11R1.172 CC(=O)OCSc1ccon1 62a_100000076356_100009818083 [0,0,0,0,0,1|2,0,0]=3 1151 B11R1.172 CC(=O)OCSc1ccon1 62a_100009818083_100000076356 [0,0,0,0,0,1|2,0,0]=3 1152 B11R1.172 CC(=O)OCSc1ccsc1 62a_100000076356_100000738268 [0,0,0,0,0,1|2,0,0]=3 1153 B11R1.172 CC(=O)OCSc1ccsc1 62a_100000738268_100000076356 [0,0,0,0,0,1|2,0,0]=3 1154 B11R1.172 CC(=O)OCSc1ccsn1 62a_100000076356_100009818082 [0,0,0,0,0,1|2,0,0]=3 1155 B11R1.172 CC(=O)OCSc1ccsn1 62a_100009818082_100000076356 [0,0,0,0,0,1|2,0,0]=3 1156 B11R1.172 CC(=O)OCSc1cn[nH]c1 62a_100000076356_100000238712 [0,0,0,0,0,1|3,0,0]=4 1157 B11R1.172 CC(=O)OCSc1cn[nH]c1 62a_100000238712_100000076356 [0,0,0,0,0,1|3,0,0]=4 1158 B11R1.172 CC(=O)OCSc1cnco1 62a_100000076356_100020591547 [0,0,0,0,0,1|1,0,0]=2 1159 B11R1.172 CC(=O)OCSc1cnco1 62a_100020591547_100000076356 [0,0,0,0,0,1|1,0,0]=2 1160 B11R1.172 CC(=O)OCSc1cncs1 62a_100000076356_100011934649 [0,0,0,0,0,1|1,1,0]=3 1161 B11R1.172 CC(=O)OCSc1cncs1 62a_100011934649_100000076356 [0,0,0,0,0,1|1,1,0]=3 1162 B11R1.172 CC(=O)OCSc1cnoc1 62a_100000076356_100009815712 [0,0,0,0,0,1|3,0,0]=4 1163 B11R1.172 CC(=O)OCSc1cnoc1 62a_100009815712_100000076356 [0,0,0,0,0,1|3,0,0]=4 1164 B11R1.172 CC(=O)OCSc1cnsc1 62a_100000076356_100009815736 [0,0,0,0,0,1|3,0,0]=4 1165 B11R1.172 CC(=O)OCSc1cnsc1 62a_100009815736_100000076356 [0,0,0,0,0,1|3,0,0]=4 1166 B11R1.172 CC(=O)OCSc1cscn1 62a_100000076356_100000751502 [0,0,0,0,0,1|2,0,0]=3 1167 B11R1.172 CC(=O)OCSc1cscn1 62a_100000751502_100000076356 [0,0,0,0,0,1|2,0,0]=3 1168 B11R1.172 CC(=O)OCSc1nc[nH]n1 62a_100000076356_100000761765 [0,0,0,0,0,1|3,0,0]=4 1169 B11R1.172 CC(=O)OCSc1nc[nH]n1 62a_100000761765_100000076356 [0,0,0,0,0,1|3,0,0]=4 1170 B11R1.172 CC(=O)OCSc1ncc[nH]1 62a_100000076356_100025796157 [0,0,0,0,0,1|2,0,0]=3 1171 B11R1.172 CC(=O)OCSc1ncc[nH]1 62a_100025796157_100000076356 [0,0,0,0,0,1|2,0,0]=3 1172 B11R1.172 CC(=O)OCSc1ncco1 62a_100000076356_100011787736 [0,0,0,0,0,1|1,0,0]=2 1173 B11R1.172 CC(=O)OCSc1ncco1 62a_100011787736_100000076356 [0,0,0,0,0,1|1,0,0]=2 1174 B11R1.172 CC(=O)OCSc1nccs1 62a_100000076356_100000211983 [0,0,0,0,0,1|1,1,0]=3 1175 B11R1.172 CC(=O)OCSc1nccs1 62a_100000211983_100000076356 [0,0,0,0,0,1|1,1,0]=3 1176 B11R1.172 CC(=O)OCSc1ncns1 62a_100000076356_100000693119 [0,0,0,0,0,1|2,1,0]=4 1177 B11R1.172 CC(=O)OCSc1ncns1 62a_100000693119_100000076356 [0,0,0,0,0,1|2,1,0]=4 1178 B11R1.172 CC(=O)OCSc1nncs1 62a_100000076356_100000739804 [0,0,0,0,0,1|2,1,0]=4 1179 B11R1.172 CC(=O)OCSc1nncs1 62a_100000739804_100000076356 [0,0,0,0,0,1|2,1,0]=4 1180 B11R1.172 CC(Br)COCc1ncco1 34a_100012180447_103436540062 [0,0,0,0,0,1|2,0,1]=4 1181 B11R1.172 CC(C)CCSc1ccco1 62a_100000210312_100009814098 [0,0,0,0,0,1|2,0,1]=4 1182 B11R1.172 CC(C)CCSc1ccco1 62a_100009814098_100000210312 [0,0,0,0,0,1|2,0,1]=4 1183 B11R1.172 CC(C)CNCc1ccco1 207a_100000210953_100000186105 [0,0,0,0,0,1|2,0,1]=4 1184 B11R1.172 CC(C)CNCc1ccco1 2230a_100000185738_100000210760 [0,0,0,0,0,1|2,0,1]=4 1185 B11R1.172 CC(C)CNCc1ccco1 270004a_100000185738_100000210432 [0,0,0,0,0,1|2,0,1]=4 1186 B11R1.172 CC(C)CNCc1ccco1 270004a_100000210953_100000186105 [0,0,0,0,0,1|2,0,1]=4 1187 B11R1.172 CC(C)CNCc1ccco1 34a_100000185738_100000210624 [0,0,0,0,0,1|2,0,1]=4 1188 B11R1.172 CC(C)COCc1ccco1 34a_100000210059_100000210624 [0,0,0,0,0,1|1,0,1]=3 1189 B11R1.172 CC(C)COCc1cccs1 34a_100000211240_100000210624 [0,0,0,0,0,1|1,1,1]=4 1190 B11R1.172 CC(C)COCc1ccno1 34a_100000740478_100000210624 [0,0,0,0,0,1|2,0,1]=4 1191 B11R1.172 CC(C)COCc1ncco1 34a_100000062594_100000210624 [0,0,0,0,0,1|2,0,1]=4 1192 B11R1.172 CC(C)COCc1ncco1 34a_100000210257_103436540062 [0,0,0,0,0,1|2,0,1]=4 1193 B11R1.172 CC(C)NCCc1ccco1 2230a_100000694680_100000210206 [0,0,0,0,0,1|2,0,1]=4 1194 B11R1.172 CC(C)NCCc1ccco1 34a_100000694680_100000210206 [0,0,0,0,0,1|2,0,1]=4 1195 B11R1.172 CC(C)OCCc1cccs1 34a_100000212225_100000748579 [0,0,0,0,0,1|1,1,1]=4 1196 B11R1.172 CC(C)OCCc1cccs1 34a_100011216825_100000210206 [0,0,0,0,0,1|1,1,1]=4 1197 B11R1.172 CC(C)OCCc1cccs1 7a_100011216825_100000210206 [0,0,0,0,0,1|1,1,1]=4 1198 B11R1.172 CC(C)OCSc1ccco1 62a_100000709892_100009814098 [0,0,0,0,0,1|1,0,1]=3 1199 B11R1.172 CC(C)OCSc1ccco1 62a_100009814098_100000709892 [0,0,0,0,0,1|1,0,1]=3 1200 B11R1.172 CC(C)OCSc1cccs1 62a_100000709892_100011215356 [0,0,0,0,0,1|1,1,1]=4 1201 B11R1.172 CC(C)OCSc1cccs1 62a_100011215356_100000709892 [0,0,0,0,0,1|1,1,1]=4 1202 B11R1.172 CC(C)OCSc1cnco1 62a_100000709892_100020591547 [0,0,0,0,0,1|2,0,1]=4 1203 B11R1.172 CC(C)OCSc1cnco1 62a_100020591547_100000709892 [0,0,0,0,0,1|2,0,1]=4 1204 B11R1.172 CC(C)OCSc1ncco1 62a_100000709892_100011787736 [0,0,0,0,0,1|2,0,1]=4 1205 B11R1.172 CC(C)OCSc1ncco1 62a_100011787736_100000709892 [0,0,0,0,0,1|2,0,1]=4 1206 B11R1.172 CC(F)COCc1ncco1 34a_100015925927_103436540062 [0,0,0,0,0,1|2,0,1]=4 1207 B11R1.172 CC(O)CCSc1ccco1 62a_100009814098_100012276601 [0,0,0,0,0,1|1,0,2]=4 1208 B11R1.172 CC(O)CCSc1ccco1 62a_100012276601_100009814098 [0,0,0,0,0,1|1,0,2]=4 1209 B11R1.172 CC(O)CNCc1ccco1 207a_100000210904_100000186105 [0,0,0,0,0,1|1,0,2]=4 1210 B11R1.172 CC(O)CNCc1ccco1 2230a_100000185738_100011218427 [0,0,0,0,0,1|1,0,2]=4 1211 B11R1.172 CC(O)CNCc1ccco1 270004a_100000210904_100000186105 [0,0,0,0,0,1|1,0,2]=4 1212 B11R1.172 CC(O)CNCc1ccco1 34a_100000185738_100011218427 [0,0,0,0,0,1|1,0,2]=4 1213 B11R1.172 CC(O)COCc1ccco1 34a_100000210059_100011218427 [0,0,0,0,0,1|0,0,2]=3 1214 B11R1.172 CC(O)COCc1cccs1 34a_100000211240_100011218427 [0,0,0,0,0,1|0,1,2]=4 1215 B11R1.172 CC(O)COCc1ccno1 34a_100000740478_100011218427 [0,0,0,0,0,1|1,0,2]=4 1216 B11R1.172 CC(O)COCc1ncco1 34a_100000062594_100011218427 [0,0,0,0,0,1|1,0,2]=4 1217 B11R1.172 CN(C)CCSc1ccco1 62a_100009814098_100000755713 [0,0,0,0,0,1|3,0,0]=4 1218 B11R1.172 C[C@@H](Cl)COCc1ncco1 34a_100016084084_103436540062 [0,0,0,0,0,1|2,0,1]=4 1219 B11R1.172 C[C@@H](N)COCc1ncco1 34a_100000737577_103436540062 [0,0,0,0,0,1|2,0,1]=4 1220 B11R1.172 C[C@@H](O)CNCc1ccco1 2230a_100000185738_100009817552 [0,0,0,0,0,1|1,0,2]=4 1221 B11R1.172 C[C@@H](O)CNCc1ccco1 34a_100000185738_100009817552 [0,0,0,0,0,1|1,0,2]=4 1222 B11R1.172 C[C@@H](O)COCc1ccco1 34a_100000210059_100009817552 [0,0,0,0,0,1|0,0,2]=3 1223 B11R1.172 C[C@@H](O)COCc1cccs1 34a_100000211240_100009817552 [0,0,0,0,0,1|0,1,2]=4 1224 B11R1.172 C[C@@H](O)COCc1ccno1 34a_100000740478_100009817552 [0,0,0,0,0,1|1,0,2]=4 1225 B11R1.172 C[C@@H](O)COCc1ncco1 34a_100000062594_100009817552 [0,0,0,0,0,1|1,0,2]=4 1226 B11R1.172 FC(F)COCc1ccco1 34a_100000210059_100011934356 [0,0,0,0,0,1|2,0,1]=4 1227 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [0,0,0,0,0,1|2,0,0]=3 1228 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [0,0,0,0,0,1|2,0,0]=3 1229 B11R1.172 NC(=O)CCSc1cccs1 62a_100000744528_100011215356 [0,0,0,0,0,1|2,1,0]=4 1230 B11R1.172 NC(=O)CCSc1cccs1 62a_100011215356_100000744528 [0,0,0,0,0,1|2,1,0]=4 1231 B11R1.172 NC(=O)CCSc1cnco1 62a_100000744528_100020591547 [0,0,0,0,0,1|3,0,0]=4 1232 B11R1.172 NC(=O)CCSc1cnco1 62a_100020591547_100000744528 [0,0,0,0,0,1|3,0,0]=4 1233 B11R1.172 NC(=O)CCSc1ncco1 62a_100000744528_100011787736 [0,0,0,0,0,1|3,0,0]=4 1234 B11R1.172 NC(=O)CCSc1ncco1 62a_100011787736_100000744528 [0,0,0,0,0,1|3,0,0]=4 1235 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [0,0,0,0,0,1|2,0,0]=3 1236 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [0,0,0,0,0,1|2,0,0]=3 1237 B11R1.172 NC(=O)CNCc1cccs1 2230a_100000211653_100000747473 [0,0,0,0,0,1|2,1,0]=4 1238 B11R1.172 NC(=O)CNCc1ncco1 2230a_100000711301_103436540062 [0,0,0,0,0,1|3,0,0]=4 1239 B11R1.172 NC(=O)CNCc1ncco1 2230a_100016994969_100000747473 [0,0,0,0,0,1|3,0,0]=4 1240 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,0,0,0,0,1|1,0,0]=2 1241 B11R1.172 NC(=O)COCc1cccs1 34a_100000211240_100000187820 [0,0,0,0,0,1|1,1,0]=3 1242 B11R1.172 NC(=O)COCc1ccno1 34a_100000740478_100000187820 [0,0,0,0,0,1|2,0,0]=3 1243 B11R1.172 NC(=O)COCc1ccoc1 34a_100011215357_100000187820 [0,0,0,0,0,1|3,0,0]=4 1244 B11R1.172 NC(=O)COCc1ccsc1 34a_100011215551_100000187820 [0,0,0,0,0,1|3,0,0]=4 1245 B11R1.172 NC(=O)COCc1ncco1 34a_100000062594_100000187820 [0,0,0,0,0,1|2,0,0]=3 1246 B11R1.172 NC(=O)COCn1cccn1 34a_100000731028_100000187820 [0,0,0,0,0,1|3,0,0]=4 1247 B11R1.172 NC(=O)CSCc1ncco1 62a_100000747473_103436540062 [0,0,0,0,0,1|2,1,0]=4 1248 B11R1.172 NC(=O)CSCc1ncco1 62a_103436540062_100000747473 [0,0,0,0,0,1|2,1,0]=4 1249 B11R1.172 O=C(O)CNCc1ncco1 269956a_100016091260_103436540062 [0,0,0,0,0,1|3,0,0]=4 1250 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [0,0,0,0,0,1|2,0,0]=3 1251 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,0,0,0,0,1|1,0,0]=2 1252 B11R1.172 O=C([O-])COCc1cccs1 34a_100000211240_100020667443 [0,0,0,0,0,1|1,1,0]=3 1253 B11R1.172 O=C([O-])COCc1ccno1 34a_100000740478_100020667443 [0,0,0,0,0,1|2,0,0]=3 1254 B11R1.172 O=C([O-])COCc1ccoc1 34a_100011215357_100020667443 [0,0,0,0,0,1|3,0,0]=4 1255 B11R1.172 O=C([O-])COCc1ccsc1 34a_100011215551_100020667443 [0,0,0,0,0,1|3,0,0]=4 1256 B11R1.172 O=C([O-])COCc1ncco1 34a_100000062594_100020667443 [0,0,0,0,0,1|2,0,0]=3 1257 B11R1.172 O=C([O-])COCn1cccn1 34a_100000731028_100020667443 [0,0,0,0,0,1|3,0,0]=4 1258 B11R1.172 O=C([O-])CSCc1ncco1 62a_100020667443_103436540062 [0,0,0,0,0,1|2,1,0]=4 1259 B11R1.172 O=C([O-])CSCc1ncco1 62a_103436540062_100020667443 [0,0,0,0,0,1|2,1,0]=4 1260 B11R1.172 O=[N+]([O-])CNCc1ccco1 34a_100000185738_100000761209 [0,0,0,0,0,1|3,0,0]=4 1261 B11R1.172 O=[N+]([O-])COCc1ccco1 34a_100000210059_100000761209 [0,0,0,0,0,1|2,0,0]=3 1262 B11R1.172 O=[N+]([O-])COCc1cccs1 34a_100000211240_100000761209 [0,0,0,0,0,1|2,1,0]=4 1263 B11R1.172 O=[N+]([O-])COCc1ccno1 34a_100000740478_100000761209 [0,0,0,0,0,1|3,0,0]=4 1264 B11R1.172 O=[N+]([O-])COCc1ncco1 34a_100000062594_100000761209 [0,0,0,0,0,1|3,0,0]=4 1265 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,0,0,0,0,1|1,1,0]=3 1266 B11R1.172 [13CH3]C(=O)CCCn1cccc1 1458a_100000691410_200025704644 [0,0,0,0,0,1|3,0,0]=4 1267 B11R1.172 [13CH3]C(=O)CCCn1cccn1 1458a_100000742828_200025704644 [0,0,0,0,0,1|3,0,0]=4 1268 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,0,1,0,0,0|1,0,1]=4 1269 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [1,0,1,0,0,0|0,0,2]=4 1270 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [1,0,1,0,0,0|0,0,2]=4 1271 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [1,0,1,0,0,0|0,0,2]=4 1272 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [1,0,1,0,0,0|0,0,2]=4 1273 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [1,0,1,0,0,0|0,0,1]=3 1274 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [1,0,1,0,0,0|0,1,1]=4 1275 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [1,0,1,0,0,0|0,1,1]=4 1276 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [1,0,1,0,0,0|1,0,1]=4 1277 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [2,0,0,0,0,0|1,0,1]=4 1278 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [2,0,0,0,0,0|0,0,1]=3 1279 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [2,0,0,0,0,0|0,1,1]=4 1280 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [2,0,0,0,0,0|1,0,1]=4 1281 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [2,0,0,0,0,0|1,0,1]=4 1282 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [2,0,0,0,0,0|0,1,1]=4 1283 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [2,0,0,0,0,0|0,1,1]=4 1284 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [2,0,0,0,0,0|1,0,0]=3 1285 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [2,0,0,0,0,0|1,0,0]=3 1286 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [2,0,0,0,0,0|1,0,0]=3 1287 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [2,0,0,0,0,0|1,0,0]=3 1288 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [2,0,0,0,0,0|1,1,0]=4 1289 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [2,0,0,0,0,0|1,1,0]=4 1290 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [2,0,0,0,0,0|1,1,0]=4 1291 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [2,0,0,0,0,0|2,0,0]=4 1292 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [2,0,0,0,0,0|2,0,0]=4 1293 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [2,0,0,0,0,0|2,0,0]=4 1294 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [2,0,0,0,0,0|2,0,0]=4 1295 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [2,0,0,0,0,0|2,0,0]=4 1296 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [2,0,0,0,0,0|2,0,0]=4 1297 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [2,0,0,0,0,0|2,0,0]=4 1298 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [2,0,0,0,0,0|0,0,0]=2 1299 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [2,0,0,0,0,0|0,1,0]=3 1300 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [2,0,0,0,0,0|2,0,0]=4 1301 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [2,0,0,0,0,0|1,0,0]=3 1302 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [2,0,0,0,0,0|2,0,0]=4 1303 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [2,0,0,0,0,0|2,0,0]=4 1304 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [2,0,0,0,0,0|2,0,0]=4 1305 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [2,0,0,0,0,0|2,0,0]=4 1306 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [2,0,0,0,0,0|1,1,0]=4 1307 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [2,0,0,0,0,0|2,0,0]=4 1308 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [2,0,0,0,0,0|2,0,0]=4 1309 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [2,0,0,0,0,0|1,0,0]=3 1310 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [2,0,0,0,0,0|1,0,0]=3 1311 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [2,0,0,0,0,0|1,1,0]=4 1312 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [2,0,0,0,0,0|2,0,0]=4 1313 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [2,0,0,0,0,0|1,1,0]=4 1314 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [2,0,0,0,0,0|1,1,0]=4 1315 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [2,0,0,0,0,0|1,0,0]=3 1316 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [2,0,0,0,0,0|1,0,0]=3 1317 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [2,0,0,0,0,0|1,1,0]=4 1318 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [2,0,0,0,0,0|2,0,0]=4 1319 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [2,0,0,0,0,0|0,0,0]=2 1320 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [2,0,0,0,0,0|0,1,0]=3 1321 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [2,0,0,0,0,0|1,0,0]=3 1322 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [2,0,0,0,0,0|2,0,0]=4 1323 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [2,0,0,0,0,0|2,0,0]=4 1324 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [2,0,0,0,0,0|1,0,0]=3 1325 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [2,0,0,0,0,0|2,0,0]=4 1326 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [2,0,0,0,0,0|1,1,0]=4 1327 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [2,0,0,0,0,0|1,1,0]=4 1328 B10R0.3 CC(=O)OCCC(=O)C=CBr 1458a_100016273825_100009814007 [0,1,1,0,0,0|1,0,1]=4 1329 B10R0.3 CC(=O)OCCC(=O)C=CCl 1458a_200016279998_100009814007 [0,1,1,0,0,0|1,0,1]=4 1330 B10R0.3 CC(=O)OCCC(=O)C=CI 1458a_100016256311_100009814007 [0,1,1,0,0,0|1,0,1]=4 1331 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,1,1,0,0,0|1,0,1]=4 1332 B10R0.4 C/C=C/C=C/COCC(=O)N 34a_100016283227_100000187820 [0,1,1,0,0,0|2,0,0]=4 1333 B10R0.4 C/C=C/C=C/COCC(=O)[O-] 34a_100016283227_100020667443 [0,1,1,0,0,0|2,0,0]=4 1334 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [0,1,1,0,0,0|0,0,2]=4 1335 B10R0.4 C=C(C)COC/C=C/C=C/C 34a_100016283227_100000748629 [0,1,1,0,0,0|2,0,0]=4 1336 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [0,1,1,0,0,0|0,0,2]=4 1337 B10R0.4 C=CCOCCCOC(=O)C 34a_200000210373_100000042594 [0,1,1,0,0,0|0,0,2]=4 1338 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [0,1,1,0,0,0|1,0,1]=4 1339 B10R0.55 C=CC(=O)NCCOC(=O)C 240690a_100000724843_200121576911 [0,1,1,0,0,0|1,0,1]=4 1340 B10R0.55 C=CC(C)OCCOC(=O)C 34a_100000695699_100009814007 [0,1,1,0,0,0|0,0,2]=4 1341 B10R0.74 C=CCOCCOC(=O)CC 7a_200000031056_100015514636 [0,1,1,0,0,0|0,0,2]=4 1342 B10R0.74 C=CCOCCOC(=O)NC 34a_200000210373_200011997002 [0,1,1,0,0,0|0,0,2]=4 1343 B10R0.74 C=CCOCCOC(=O)OC 34a_100010262106_100015514636 [0,1,1,0,0,0|0,0,2]=4 1344 B10R0.78 C/C=C/CC(=O)COC(=O)C 1458a_100000183556_100102629194 [0,1,1,0,0,0|1,0,1]=4 1345 B10R0.78 C=CCCC(=O)COC(=O)C 1458a_100000183556_100000754431 [0,1,1,0,0,0|1,0,1]=4 1346 B10R0.78 C=CCNC(=O)COC(=O)C 1626a_100020586998_100000183556 [0,1,1,0,0,0|1,0,1]=4 1347 B10R0.78 C=CCNC(=O)COC(=O)C 240690a_100020586998_100000183556 [0,1,1,0,0,0|1,0,1]=4 1348 B10R0.78 C=CCNC(=O)COC(=O)C 527a_100020586998_100000183556 [0,1,1,0,0,0|1,0,1]=4 1349 B10R0.78 CC=CCC(=O)COC(=O)C 1458a_100000183556_100000070051 [0,1,1,0,0,0|1,0,1]=4 1350 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [0,1,1,0,0,0|0,0,2]=4 1351 B10R0.97 C=C(F)COCCOC(=O)C 34a_200010262243_100009814007 [0,1,1,0,0,0|0,0,2]=4 1352 B10R0.32 C=CCC(=O)C(C)OC(=O)C 1458a_100000210193_100009818208 [0,1,1,0,0,0|0,0,2]=4 1353 B10R0.32 C=CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210623 [0,1,1,0,0,0|0,0,2]=4 1354 B10R0.32 CC(=O)OC(C)C(=O)C=CBr 1458a_100016273825_100009818208 [0,1,1,0,0,0|1,0,1]=4 1355 B10R0.32 CC(=O)OC(C)C(=O)C=CCl 1458a_200016279998_100009818208 [0,1,1,0,0,0|1,0,1]=4 1356 B10R0.32 CC(=O)OC(C)C(=O)C=CI 1458a_100016256311_100009818208 [0,1,1,0,0,0|1,0,1]=4 1357 B10R0.32 CC=CC(=O)C(C)OC(=O)C 1458a_100000210699_100009818208 [0,1,1,0,0,0|0,0,2]=4 1358 B10R0.96 C=C(C)CC(=O)COC(=O)C 1458a_100000183556_100000748629 [0,1,1,0,0,0|0,0,2]=4 1359 B10R0.96 C=C(F)CC(=O)COC(=O)C 1458a_100000183556_100009893438 [0,1,1,0,0,0|0,0,2]=4 1360 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [1,1,0,0,0,0|1,0,1]=4 1361 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [1,1,0,0,0,0|0,0,1]=3 1362 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [1,1,0,0,0,0|0,0,1]=3 1363 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [1,1,0,0,0,0|0,1,1]=4 1364 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [1,1,0,0,0,0|2,0,0]=4 1365 B10R1.11 C[C@H](OCF)c1ccco1 34a_100000755270_100015361967 [1,1,0,0,0,0|1,0,1]=4 1366 B10R1.11 C[C@H](OCF)c1ccco1 7a_100000755270_100015361967 [1,1,0,0,0,0|1,0,1]=4 1367 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1368 B10R1.16 CCNCc1cc(co1)Br 270004a_100015525214_100000747035 [1,1,0,0,0,0|1,0,1]=4 1369 B10R1.16 CCNCc1ccc(o1)Br 207a_100015525214_100000185145 [1,1,0,0,0,0|1,0,1]=4 1370 B10R1.16 CCNCc1ccc(o1)Br 270004a_100015525214_100000185145 [1,1,0,0,0,0|1,0,1]=4 1371 B10R1.16 CCNCc1ccc(o1)Br 34a_100000708654_100000210202 [1,1,0,0,0,0|1,0,1]=4 1372 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [1,1,0,0,0,0|1,0,1]=4 1373 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [1,1,0,0,0,0|1,0,1]=4 1374 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [1,1,0,0,0,0|1,0,1]=4 1375 B10R1.16 CCNCc1ccc(o1)Cl 207a_100015525214_100000188459 [1,1,0,0,0,0|1,0,1]=4 1376 B10R1.16 CCNCc1ccc(o1)Cl 270004a_100015525214_100000188459 [1,1,0,0,0,0|1,0,1]=4 1377 B10R1.16 CCNCc1ccc(o1)I 207a_100015525214_100000186757 [1,1,0,0,0,0|1,0,1]=4 1378 B10R1.16 CCOCc1cc(cs1)Br 34a_100000238369_100000210202 [1,1,0,0,0,0|0,1,1]=4 1379 B10R1.16 CCOCc1cc(cs1)Br 34a_100121572206_100000746031 [1,1,0,0,0,0|0,1,1]=4 1380 B10R1.16 CCOCc1cc(cs1)Br 7a_100000238369_100000210202 [1,1,0,0,0,0|0,1,1]=4 1381 B10R1.16 CCOCc1cc(cs1)C 34a_200000068372_100000210202 [1,1,0,0,0,0|0,1,1]=4 1382 B10R1.16 CCOCc1cc(cs1)C 7a_200000068372_100000210202 [1,1,0,0,0,0|0,1,1]=4 1383 B10R1.16 CCOCc1cc(cs1)O 271570a_203496583355_100011542529 [1,1,0,0,0,0|0,1,1]=4 1384 B10R1.16 CCOCc1cc(no1)Br 34a_100009816691_100000210202 [1,1,0,0,0,0|1,0,1]=4 1385 B10R1.16 CCOCc1cc(no1)C 34a_100000684692_100000210202 [1,1,0,0,0,0|1,0,1]=4 1386 B10R1.16 CCOCc1cc(no1)C 34a_100121572206_100000707947 [1,1,0,0,0,0|1,0,1]=4 1387 B10R1.16 CCOCc1ccc(o1)Br 34a_100000246276_100000210202 [1,1,0,0,0,0|0,0,1]=3 1388 B10R1.16 CCOCc1ccc(o1)Br 7a_100000246276_100000210202 [1,1,0,0,0,0|0,0,1]=3 1389 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [1,1,0,0,0,0|0,0,1]=3 1390 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [1,1,0,0,0,0|0,0,1]=3 1391 B10R1.16 CCOCc1ccc(s1)Br 34a_100121572206_100000708592 [1,1,0,0,0,0|0,1,1]=4 1392 B10R1.16 CCOCc1ccc(s1)C 34a_100000238367_100000210202 [1,1,0,0,0,0|0,1,1]=4 1393 B10R1.16 CCOCc1ccc(s1)Cl 34a_100121572206_100000185097 [1,1,0,0,0,0|0,1,1]=4 1394 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [1,1,0,0,0,0|2,0,0]=4 1395 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [1,1,0,0,0,0|2,0,0]=4 1396 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [1,1,0,0,0,0|2,0,0]=4 1397 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [1,1,0,0,0,0|2,0,0]=4 1398 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [1,1,0,0,0,0|2,0,0]=4 1399 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [1,1,0,0,0,0|2,0,0]=4 1400 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [1,1,0,0,0,0|2,0,0]=4 1401 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [1,1,0,0,0,0|2,0,0]=4 1402 B10R1.16 Cc1ccc(o1)COCF 34a_100011232665_100015361967 [1,1,0,0,0,0|1,0,1]=4 1403 B10R1.16 Cc1ccc(o1)COCF 7a_100011232665_100015361967 [1,1,0,0,0,0|1,0,1]=4 1404 B10R1.16 FCOCc1ccc(o1)Br 34a_100000246276_100015361967 [1,1,0,0,0,0|1,0,1]=4 1405 B10R1.16 FCOCc1ccc(o1)Br 7a_100000246276_100015361967 [1,1,0,0,0,0|1,0,1]=4 1406 B10R1.21 BrCCOCc1ncco1 34a_100000211926_103436540062 [1,1,0,0,0,0|1,0,1]=4 1407 B10R1.21 C#CCOCc1ccco1 34a_100000210059_100000184674 [1,1,0,0,0,0|0,0,2]=4 1408 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [1,1,0,0,0,0|1,0,0]=3 1409 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [1,1,0,0,0,0|1,0,0]=3 1410 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [1,1,0,0,0,0|1,1,0]=4 1411 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [1,1,0,0,0,0|1,1,0]=4 1412 B10R1.21 C/C=C/CSc1cnco1 62a_100020591547_100102629194 [1,1,0,0,0,0|2,0,0]=4 1413 B10R1.21 C/C=C/CSc1cnco1 62a_100102629194_100020591547 [1,1,0,0,0,0|2,0,0]=4 1414 B10R1.21 C/C=C/CSc1ncco1 62a_100011787736_100102629194 [1,1,0,0,0,0|2,0,0]=4 1415 B10R1.21 C/C=C/CSc1ncco1 62a_100102629194_100011787736 [1,1,0,0,0,0|2,0,0]=4 1416 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [1,1,0,0,0,0|1,0,1]=4 1417 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [1,1,0,0,0,0|1,0,1]=4 1418 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [1,1,0,0,0,0|1,0,1]=4 1419 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [1,1,0,0,0,0|1,0,1]=4 1420 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [1,1,0,0,0,0|1,0,1]=4 1421 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [1,1,0,0,0,0|0,0,1]=3 1422 B10R1.21 C=CCOCc1cccs1 34a_100000211240_100015514636 [1,1,0,0,0,0|0,1,1]=4 1423 B10R1.21 C=CCOCc1ccno1 34a_100000740478_100015514636 [1,1,0,0,0,0|1,0,1]=4 1424 B10R1.21 C=CCOCc1ncco1 34a_100000062594_100015514636 [1,1,0,0,0,0|1,0,1]=4 1425 B10R1.21 C=CCOCc1ncco1 34a_200000210373_103436540062 [1,1,0,0,0,0|1,0,1]=4 1426 B10R1.21 CC#CCSc1ccco1 62a_100000748600_100009814098 [1,1,0,0,0,0|1,0,1]=4 1427 B10R1.21 CC#CCSc1ccco1 62a_100009814098_100000748600 [1,1,0,0,0,0|1,0,1]=4 1428 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [1,1,0,0,0,0|1,0,0]=3 1429 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [1,1,0,0,0,0|1,0,0]=3 1430 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [1,1,0,0,0,0|1,1,0]=4 1431 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [1,1,0,0,0,0|1,1,0]=4 1432 B10R1.21 CC=CCSc1cnco1 62a_100000070051_100020591547 [1,1,0,0,0,0|2,0,0]=4 1433 B10R1.21 CC=CCSc1cnco1 62a_100020591547_100000070051 [1,1,0,0,0,0|2,0,0]=4 1434 B10R1.21 CC=CCSc1ncco1 62a_100000070051_100011787736 [1,1,0,0,0,0|2,0,0]=4 1435 B10R1.21 CC=CCSc1ncco1 62a_100011787736_100000070051 [1,1,0,0,0,0|2,0,0]=4 1436 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [1,1,0,0,0,0|1,0,1]=4 1437 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [1,1,0,0,0,0|1,0,1]=4 1438 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [1,1,0,0,0,0|1,0,1]=4 1439 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [1,1,0,0,0,0|1,0,1]=4 1440 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [1,1,0,0,0,0|1,0,1]=4 1441 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [1,1,0,0,0,0|1,0,1]=4 1442 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [1,1,0,0,0,0|0,0,1]=3 1443 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [1,1,0,0,0,0|0,1,1]=4 1444 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [1,1,0,0,0,0|1,0,1]=4 1445 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [1,1,0,0,0,0|1,0,1]=4 1446 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [1,1,0,0,0,0|1,0,1]=4 1447 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [1,1,0,0,0,0|1,0,1]=4 1448 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [1,1,0,0,0,0|1,0,1]=4 1449 B10R1.21 CCOC=Cc1ccco1 271570a_100016256518_100009814098 [1,1,0,0,0,0|0,0,2]=4 1450 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [1,1,0,0,0,0|0,1,1]=4 1451 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [1,1,0,0,0,0|0,1,1]=4 1452 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [1,1,0,0,0,0|0,1,1]=4 1453 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [1,1,0,0,0,0|0,0,1]=3 1454 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [1,1,0,0,0,0|0,0,1]=3 1455 B10R1.21 CCOCSc1cccs1 62a_100000739092_100011215356 [1,1,0,0,0,0|0,1,1]=4 1456 B10R1.21 CCOCSc1cccs1 62a_100011215356_100000739092 [1,1,0,0,0,0|0,1,1]=4 1457 B10R1.21 CCOCSc1cnco1 62a_100000739092_100020591547 [1,1,0,0,0,0|1,0,1]=4 1458 B10R1.21 CCOCSc1cnco1 62a_100020591547_100000739092 [1,1,0,0,0,0|1,0,1]=4 1459 B10R1.21 CCOCSc1ncco1 62a_100000739092_100011787736 [1,1,0,0,0,0|1,0,1]=4 1460 B10R1.21 CCOCSc1ncco1 62a_100011787736_100000739092 [1,1,0,0,0,0|1,0,1]=4 1461 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [1,1,0,0,0,0|2,0,0]=4 1462 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [1,1,0,0,0,0|2,0,0]=4 1463 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [1,1,0,0,0,0|1,0,1]=4 1464 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [1,1,0,0,0,0|2,0,0]=4 1465 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [1,1,0,0,0,0|2,0,0]=4 1466 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [1,1,0,0,0,0|1,0,1]=4 1467 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [1,1,0,0,0,0|1,0,1]=4 1468 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [1,1,0,0,0,0|0,0,1]=3 1469 B10R1.21 CSCOCc1cccs1 34a_100000211240_100011218213 [1,1,0,0,0,0|0,1,1]=4 1470 B10R1.21 CSCOCc1ccno1 34a_100000740478_100011218213 [1,1,0,0,0,0|1,0,1]=4 1471 B10R1.21 CSCOCc1ncco1 34a_100000062594_100011218213 [1,1,0,0,0,0|1,0,1]=4 1472 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [1,1,0,0,0,0|1,0,1]=4 1473 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [1,1,0,0,0,0|1,0,1]=4 1474 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [1,1,0,0,0,0|0,0,1]=3 1475 B10R1.21 FCCOCc1cccs1 34a_100000211240_100011217306 [1,1,0,0,0,0|0,1,1]=4 1476 B10R1.21 FCCOCc1ccno1 34a_100000740478_100011217306 [1,1,0,0,0,0|1,0,1]=4 1477 B10R1.21 FCCOCc1ncco1 34a_100000062594_100011217306 [1,1,0,0,0,0|1,0,1]=4 1478 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [1,1,0,0,0,0|2,0,0]=4 1479 B10R1.21 NCCOCc1ncco1 34a_100000210304_103436540062 [1,1,0,0,0,0|1,0,1]=4 1480 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [1,1,0,0,0,0|1,0,0]=3 1481 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [1,1,0,0,0,0|1,0,0]=3 1482 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [1,1,0,0,0,0|1,1,0]=4 1483 B10R1.21 O=CCNCc1ncco1 2230a_100016994969_200015260668 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [1,1,0,0,0,0|0,0,0]=2 1485 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [1,1,0,0,0,0|0,1,0]=3 1486 B10R1.21 O=CCOCc1ccno1 34a_100000740478_200009817547 [1,1,0,0,0,0|1,0,0]=3 1487 B10R1.21 O=CCOCc1ccoc1 34a_100011215357_200009817547 [1,1,0,0,0,0|2,0,0]=4 1488 B10R1.21 O=CCOCc1ccsc1 34a_100011215551_200009817547 [1,1,0,0,0,0|2,0,0]=4 1489 B10R1.21 O=CCOCc1ncco1 34a_100000062594_200009817547 [1,1,0,0,0,0|1,0,0]=3 1490 B10R1.21 O=CCOCn1cccn1 34a_100000731028_200009817547 [1,1,0,0,0,0|2,0,0]=4 1491 B10R1.21 O=CCSCc1ncco1 62a_103436540062_200015260668 [1,1,0,0,0,0|1,1,0]=4 1492 B10R1.21 O=CCSCc1ncco1 62a_200015260668_103436540062 [1,1,0,0,0,0|1,1,0]=4 1493 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [1,1,0,0,0,0|1,0,1]=4 1494 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [1,1,0,0,0,0|1,0,1]=4 1495 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [1,1,0,0,0,0|1,0,1]=4 1496 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [1,1,0,0,0,0|1,0,1]=4 1497 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [1,1,0,0,0,0|0,0,1]=3 1498 B10R1.21 OCCOCc1cccs1 34a_100000211240_100000211926 [1,1,0,0,0,0|0,1,1]=4 1499 B10R1.21 OCCOCc1ccno1 34a_100000740478_100000211926 [1,1,0,0,0,0|1,0,1]=4 1500 B10R1.21 OCCOCc1ncco1 34a_100000062594_100000211926 [1,1,0,0,0,0|1,0,1]=4 1501 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [1,1,0,0,0,0|2,0,0]=4 1502 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [1,1,0,0,0,0|2,0,0]=4 1503 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [1,1,0,0,0,0|1,0,1]=4 1504 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [1,1,0,0,0,0|1,0,1]=4 1505 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [1,1,0,0,0,0|1,0,1]=4 1506 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [1,1,0,0,0,0|1,0,1]=4 1507 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [1,1,0,0,0,0|1,0,1]=4 1508 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [1,1,0,0,0,0|1,0,1]=4 1509 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [1,1,0,0,0,0|1,0,1]=4 1510 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [1,1,0,0,0,0|2,0,0]=4 1511 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [1,1,0,0,0,0|2,0,0]=4 1512 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [1,1,0,0,0,0|2,0,0]=4 1513 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [1,1,0,0,0,0|2,0,0]=4 1514 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [1,1,0,0,0,0|2,0,0]=4 1515 B10R1.29 CCNCc1occc1Br 270004a_100015525214_100000756499 [1,1,0,0,0,0|1,0,1]=4 1516 B10R1.29 CCNCc1occc1C 207a_100015525214_100000763527 [1,1,0,0,0,0|1,0,1]=4 1517 B10R1.29 CCNCc1occc1C 270004a_100015525214_100000763527 [1,1,0,0,0,0|1,0,1]=4 1518 B10R1.29 CCOCc1occc1C 34a_100011273948_100000210202 [1,1,0,0,0,0|0,0,1]=3 1519 B10R1.29 CCOCc1occc1C 7a_100011273948_100000210202 [1,1,0,0,0,0|0,0,1]=3 1520 B10R1.29 CCOCc1ocnc1C 34a_100000717716_100000210202 [1,1,0,0,0,0|1,0,1]=4 1521 B10R1.29 CCOCc1ocnc1C 7a_100000717716_100000210202 [1,1,0,0,0,0|1,0,1]=4 1522 B10R1.29 CCOCc1oncc1C 34a_200011065769_100000210202 [1,1,0,0,0,0|1,0,1]=4 1523 B10R1.29 CCOCc1sccc1Br 34a_100000702026_100000210202 [1,1,0,0,0,0|0,1,1]=4 1524 B10R1.29 CCOCc1sccc1C 34a_100000238368_100000210202 [1,1,0,0,0,0|0,1,1]=4 1525 B10R1.29 CCOCc1sccc1C 7a_100000238368_100000210202 [1,1,0,0,0,0|0,1,1]=4 1526 B10R1.29 CCOCc1sccc1Cl 34a_100000722387_100000210202 [1,1,0,0,0,0|0,1,1]=4 1527 B10R1.29 CCOCc1sccc1Cl 7a_100000722387_100000210202 [1,1,0,0,0,0|0,1,1]=4 1528 B10R1.29 Cc1ccoc1COCF 34a_100011273948_100015361967 [1,1,0,0,0,0|1,0,1]=4 1529 B10R1.29 Cc1ccoc1COCF 7a_100011273948_100015361967 [1,1,0,0,0,0|1,0,1]=4 1530 B10R1.23 CC(=C(C)c1ccco1)C 271570a_200000049429_100009814098 [0,1,0,0,1,0|1,0,1]=4 1531 B10R1.23 CC(=O)C(C)n1cccc1 1458a_100000243804_200000210301 [0,1,0,0,1,0|2,0,0]=4 1532 B10R1.23 CC(C(=O)[13CH3])n1cccc1 1458a_100000243804_200025704644 [0,1,0,0,1,0|2,0,0]=4 1533 B10R1.23 CC(c1ccco1)N(C)C 2230a_100000232712_200000210301 [0,1,0,0,1,0|2,0,0]=4 1534 B10R1.23 CC(c1ccco1)N(C)C 269982a_100000232712_200000210301 [0,1,0,0,1,0|2,0,0]=4 1535 B10R1.23 CC(c1ccco1)N(C)[13CH3] 2230a_100000232712_200025704644 [0,1,0,0,1,0|2,0,0]=4 1536 B10R1.23 CC(c1ccco1)N(C)[13CH3] 269982a_100000232712_200025704644 [0,1,0,0,1,0|2,0,0]=4 1537 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,1,0,0,1,0|0,1,0]=3 1538 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,1,0,0,1,0|0,1,0]=3 1539 B10R1.54 CC(=O)Cc1cc(no1)Br 1458a_100000070787_100000709089 [0,1,0,0,1,0|1,0,0]=3 1540 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000037866_200000210301 [0,1,0,0,1,0|1,0,0]=3 1541 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000070787_100000707947 [0,1,0,0,1,0|1,0,0]=3 1542 B10R1.54 CC(=O)Cc1cc(on1)C 1458a_100000070787_100000199038 [0,1,0,0,1,0|2,0,0]=4 1543 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,1,0,0,1,0|0,1,0]=3 1544 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,1,0,0,1,0|0,1,0]=3 1545 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,1,0,0,1,0|0,1,0]=3 1546 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,1,0,0,1,0|0,1,0]=3 1547 B10R1.54 CC(=O)Cc1ccn(n1)C 1458a_100000070787_100000726502 [0,1,0,0,1,0|2,0,0]=4 1548 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100000070787_100000717665 [0,1,0,0,1,0|2,0,0]=4 1549 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100011512828_200000210301 [0,1,0,0,1,0|2,0,0]=4 1550 B10R1.54 CC(=O)Cc1cnc(s1)Br 1458a_100000070787_100000717027 [0,1,0,0,1,0|1,1,0]=4 1551 B10R1.54 CC(=O)Cc1cnc(s1)C 1458a_100000070787_100020635045 [0,1,0,0,1,0|1,1,0]=4 1552 B10R1.54 CC(=O)Cc1cnc(s1)Cl 1458a_100000070787_100000058068 [0,1,0,0,1,0|1,1,0]=4 1553 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,1,0,0,1,0|2,0,0]=4 1554 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,1,0,0,1,0|2,0,0]=4 1555 B10R1.54 CC(=O)Cc1csc(n1)Cl 1458a_100000070787_100000024076 [0,1,0,0,1,0|2,0,0]=4 1556 B10R1.54 CC(=O)Cc1nc(no1)C 1458a_100000070787_100000735555 [0,1,0,0,1,0|2,0,0]=4 1557 B10R1.54 CC(=O)Cc1nc(no1)C 1458a_100011441805_200000210301 [0,1,0,0,1,0|2,0,0]=4 1558 B10R1.54 CC(=O)Cc1nnc(o1)C 1458a_100000070787_100000181450 [0,1,0,0,1,0|2,0,0]=4 1559 B10R1.54 CC(=O)Cn1cc(cn1)Br 1458a_100000238729_200000210301 [0,1,0,0,1,0|2,0,0]=4 1560 B10R1.54 CC(=O)Cn1cc(cn1)C 1458a_100000743463_200000210301 [0,1,0,0,1,0|2,0,0]=4 1561 B10R1.54 CC(=O)Cn1cc(cn1)Cl 1458a_100000759256_200000210301 [0,1,0,0,1,0|2,0,0]=4 1562 B10R1.54 CC(=O)Cn1cc(cn1)I 1458a_100012072407_200000210301 [0,1,0,0,1,0|2,0,0]=4 1563 B10R1.54 CC(=O)Cn1cc(cn1)O 271570a_203496583355_100000763327 [0,1,0,0,1,0|2,0,0]=4 1564 B10R1.54 CC(=O)Cn1ccc(n1)C 1458a_100000238720_200000210301 [0,1,0,0,1,0|2,0,0]=4 1565 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [0,1,0,0,1,0|1,1,0]=4 1566 B10R1.54 CN(C)Cc1cc(co1)Br 270004a_100102631434_100000747035 [0,1,0,0,1,0|2,0,0]=4 1567 B10R1.54 CN(C)Cc1ccc(o1)Br 2230a_100000207588_200000210301 [0,1,0,0,1,0|2,0,0]=4 1568 B10R1.54 CN(C)Cc1ccc(o1)Br 269982a_100000207588_200000210301 [0,1,0,0,1,0|2,0,0]=4 1569 B10R1.54 CN(C)Cc1ccc(o1)Br 270004a_100102631434_100000185145 [0,1,0,0,1,0|2,0,0]=4 1570 B10R1.54 CN(C)Cc1ccc(o1)Cl 270004a_100102631434_100000188459 [0,1,0,0,1,0|2,0,0]=4 1571 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 2230a_100000207588_200025704644 [0,1,0,0,1,0|2,0,0]=4 1572 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 269982a_100000207588_200025704644 [0,1,0,0,1,0|2,0,0]=4 1573 B10R1.54 Cc1cc(on1)CC(=O)[13CH3] 1458a_100000037866_200025704644 [0,1,0,0,1,0|1,0,0]=3 1574 B10R1.54 Cc1ccc(o1)CN(C)C 2230a_100000184526_200000210301 [0,1,0,0,1,0|2,0,0]=4 1575 B10R1.54 Cc1ccc(o1)CN(C)C 269982a_100000184526_200000210301 [0,1,0,0,1,0|2,0,0]=4 1576 B10R1.54 Cc1ccc(o1)CN(C)C 270004a_100102631434_100000183696 [0,1,0,0,1,0|2,0,0]=4 1577 B10R1.54 Cc1ccc(o1)CN(C)C 34a_100000184526_200000210301 [0,1,0,0,1,0|2,0,0]=4 1578 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 2230a_100000184526_200025704644 [0,1,0,0,1,0|2,0,0]=4 1579 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 269982a_100000184526_200025704644 [0,1,0,0,1,0|2,0,0]=4 1580 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 34a_100000184526_200025704644 [0,1,0,0,1,0|2,0,0]=4 1581 B10R1.54 Cc1ccn(n1)CC(=O)[13CH3] 1458a_100000238720_200025704644 [0,1,0,0,1,0|2,0,0]=4 1582 B10R1.54 Cc1cnn(c1)CC(=O)[13CH3] 1458a_100000743463_200025704644 [0,1,0,0,1,0|2,0,0]=4 1583 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,1,0,0,1,0|2,0,0]=4 1584 B10R1.54 Cc1noc(n1)CC(=O)[13CH3] 1458a_100011441805_200025704644 [0,1,0,0,1,0|2,0,0]=4 1585 B10R1.54 Cn1cnc(c1)CC(=O)[13CH3] 1458a_100011512828_200025704644 [0,1,0,0,1,0|2,0,0]=4 1586 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,1,0,0,1,0|0,1,0]=3 1587 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,1,0,0,1,0|0,1,0]=3 1588 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,1,0,0,1,0|0,1,0]=3 1589 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Br 1458a_100000238729_200025704644 [0,1,0,0,1,0|2,0,0]=4 1590 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Cl 1458a_100000759256_200025704644 [0,1,0,0,1,0|2,0,0]=4 1591 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)I 1458a_100012072407_200025704644 [0,1,0,0,1,0|2,0,0]=4 1592 B10R1.64 CC(=O)Cc1ccnn1C 1458a_100000070787_100000691648 [0,1,0,0,1,0|2,0,0]=4 1593 B10R1.64 CC(=O)Cc1ccsc1Br 1458a_100000070787_100009814289 [0,1,0,0,1,0|2,0,0]=4 1594 B10R1.64 CC(=O)Cc1ccsc1Cl 1458a_100000070787_100010167017 [0,1,0,0,1,0|2,0,0]=4 1595 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,1,0,0,1,0|2,0,0]=4 1596 B10R1.64 CC(=O)Cc1ncoc1C 1458a_100000070787_200000693990 [0,1,0,0,1,0|2,0,0]=4 1597 B10R1.64 CC(=O)Cn1nccc1C 1458a_100000759144_200000210301 [0,1,0,0,1,0|2,0,0]=4 1598 B10R1.64 CN(C)Cc1occc1Br 270004a_100102631434_100000756499 [0,1,0,0,1,0|2,0,0]=4 1599 B10R1.64 Cc1ccnn1CC(=O)[13CH3] 1458a_100000759144_200025704644 [0,1,0,0,1,0|2,0,0]=4 1600 B10R1.64 Cc1ccoc1CN(C)C 2230a_100000734364_200000210301 [0,1,0,0,1,0|2,0,0]=4 1601 B10R1.64 Cc1ccoc1CN(C)C 269982a_100000734364_200000210301 [0,1,0,0,1,0|2,0,0]=4 1602 B10R1.64 Cc1ccoc1CN(C)C 270004a_100102631434_100000763527 [0,1,0,0,1,0|2,0,0]=4 1603 B10R1.64 Cc1ccoc1CN(C)[13CH3] 2230a_100000734364_200025704644 [0,1,0,0,1,0|2,0,0]=4 1604 B10R1.64 Cc1ccoc1CN(C)[13CH3] 269982a_100000734364_200025704644 [0,1,0,0,1,0|2,0,0]=4 1605 B12R1.21 CC(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200000210301 [0,1,0,0,0,1|2,0,0]=4 1606 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,1,0,0,0,1|2,0,0]=4 1607 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,1,0,0,0,1|2,0,0]=4 1608 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,1,0,0,0,1|2,0,0]=4 1609 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,1,0,0,0,1|2,0,0]=4 1610 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,1,0,0,0,1|2,0,0]=4 1611 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,1,0,0,0,1|2,0,0]=4 1612 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,1,0,0,0,1|2,0,0]=4 1613 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,1,0,0,0,1|2,0,0]=4 1614 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,1,0,0,0,1|2,0,0]=4 1615 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,1,0,0,0,1|2,0,0]=4 1616 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,1,0,0,0,1|2,0,0]=4 1617 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,1,0,0,0,1|2,0,0]=4 1618 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,1,0,0,0,1|2,0,0]=4 1619 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,1,0,0,0,1|2,0,0]=4 1620 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,1,0,0,0,1|2,0,0]=4 1621 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,1,0,0,0,1|2,0,0]=4 1622 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,1,0,0,0,1|2,0,0]=4 1623 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,1,0,0,0,1|2,0,0]=4 1624 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,1,0,0,0,1|2,0,0]=4 1625 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,1,0,0,0,1|2,0,0]=4 1626 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,1,0,0,0,1|2,0,0]=4 1627 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,1,0,0,0,1|2,0,0]=4 1628 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,1,0,0,0,1|2,0,0]=4 1629 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,1,0,0,0,1|2,0,0]=4 1630 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,1,0,0,0,1|2,0,0]=4 1631 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,1,0,0,0,1|2,0,0]=4 1632 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,1,0,0,0,1|2,0,0]=4 1633 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,1,0,0,0,1|2,0,0]=4 1634 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,1,0,0,0,1|2,0,0]=4 1635 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,1,0,0,0,1|2,0,0]=4 1636 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,1,0,0,0,1|2,0,0]=4 1637 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,1,0,0,0,1|2,0,0]=4 1638 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,1,0,0,0,1|2,0,0]=4 1639 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,1,0,0,0,1|2,0,0]=4 1640 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,1,0,0,0,1|2,0,0]=4 1641 B12R1.21 CC(=O)NCc1ccc(cn1)Br 11a_100015188789_100015343762 [0,1,0,0,0,1|2,0,0]=4 1642 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100015343762 [0,1,0,0,0,1|2,0,0]=4 1643 B12R1.21 CC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100015343762 [0,1,0,0,0,1|2,0,0]=4 1644 B12R1.21 CC(=O)NCc1ccc(cn1)Br 527a_100015188789_100103153847 [0,1,0,0,0,1|2,0,0]=4 1645 B12R1.21 CC(=O)NCc1ccc(cn1)C 11a_100015187455_100015343762 [0,1,0,0,0,1|2,0,0]=4 1646 B12R1.21 CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100015343762 [0,1,0,0,0,1|2,0,0]=4 1647 B12R1.21 CC(=O)NCc1ccc(cn1)C 240690a_100015187455_100015343762 [0,1,0,0,0,1|2,0,0]=4 1648 B12R1.21 CC(=O)NCc1ccc(cn1)C 527a_100015187455_100103153847 [0,1,0,0,0,1|2,0,0]=4 1649 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100015343762 [0,1,0,0,0,1|2,0,0]=4 1650 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100015343762 [0,1,0,0,0,1|2,0,0]=4 1651 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100015343762 [0,1,0,0,0,1|2,0,0]=4 1652 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100103153847 [0,1,0,0,0,1|2,0,0]=4 1653 B12R1.21 CC(=O)NCc1ccc(cn1)F 11a_100020620131_100015343762 [0,1,0,0,0,1|2,0,0]=4 1654 B12R1.21 CC(=O)NCc1ccc(cn1)F 1626a_100020620131_100015343762 [0,1,0,0,0,1|2,0,0]=4 1655 B12R1.21 CC(=O)NCc1ccc(cn1)F 240690a_100020620131_100015343762 [0,1,0,0,0,1|2,0,0]=4 1656 B12R1.21 CC(=O)NCc1ccc(cn1)F 527a_100020620131_100103153847 [0,1,0,0,0,1|2,0,0]=4 1657 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,1,0,0,0,1|2,0,0]=4 1658 B12R1.21 CC(=O)NCc1ccc(nc1)Br 11a_100009817727_100015343762 [0,1,0,0,0,1|2,0,0]=4 1659 B12R1.21 CC(=O)NCc1ccc(nc1)Br 240690a_100009817727_100015343762 [0,1,0,0,0,1|2,0,0]=4 1660 B12R1.21 CC(=O)NCc1ccc(nc1)Br 527a_100009817727_100103153847 [0,1,0,0,0,1|2,0,0]=4 1661 B12R1.21 CC(=O)NCc1ccc(nc1)C 11a_100000740942_100015343762 [0,1,0,0,0,1|2,0,0]=4 1662 B12R1.21 CC(=O)NCc1ccc(nc1)C 1626a_100000740942_100015343762 [0,1,0,0,0,1|2,0,0]=4 1663 B12R1.21 CC(=O)NCc1ccc(nc1)C 240690a_100000740942_100015343762 [0,1,0,0,0,1|2,0,0]=4 1664 B12R1.21 CC(=O)NCc1ccc(nc1)C 527a_100000740942_100103153847 [0,1,0,0,0,1|2,0,0]=4 1665 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 11a_100000735879_100015343762 [0,1,0,0,0,1|2,0,0]=4 1666 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 1626a_100000735879_100015343762 [0,1,0,0,0,1|2,0,0]=4 1667 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 240690a_100000735879_100015343762 [0,1,0,0,0,1|2,0,0]=4 1668 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 527a_100000735879_100103153847 [0,1,0,0,0,1|2,0,0]=4 1669 B12R1.21 CC(=O)NCc1ccc(nc1)F 11a_100000101913_100015343762 [0,1,0,0,0,1|2,0,0]=4 1670 B12R1.21 CC(=O)NCc1ccc(nc1)F 1626a_100000101913_100015343762 [0,1,0,0,0,1|2,0,0]=4 1671 B12R1.21 CC(=O)NCc1ccc(nc1)F 240690a_100000101913_100015343762 [0,1,0,0,0,1|2,0,0]=4 1672 B12R1.21 CC(=O)NCc1ccc(nc1)F 527a_100000101913_100103153847 [0,1,0,0,0,1|2,0,0]=4 1673 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [0,1,0,0,0,1|2,0,0]=4 1674 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [0,1,0,0,0,1|2,0,0]=4 1675 B12R1.21 CC(=O)NCc1cnc(cn1)C 11a_100132314150_100015343762 [0,1,0,0,0,1|2,0,0]=4 1676 B12R1.21 CC(=O)NCc1cnc(cn1)C 240690a_100132314150_100015343762 [0,1,0,0,0,1|2,0,0]=4 1677 B12R1.21 CC(=O)NCc1cnc(cn1)C 527a_100132314150_100103153847 [0,1,0,0,0,1|2,0,0]=4 1678 B12R1.21 CC(=O)NCc1ncc(cn1)Br 11a_200016993442_100015343762 [0,1,0,0,0,1|2,0,0]=4 1679 B12R1.21 CC(=O)NCc1ncc(cn1)Br 240690a_200016993442_100015343762 [0,1,0,0,0,1|2,0,0]=4 1680 B12R1.21 CC(=O)NCc1ncc(cn1)Br 527a_200016993442_100103153847 [0,1,0,0,0,1|2,0,0]=4 1681 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 11a_200015186297_100015343762 [0,1,0,0,0,1|2,0,0]=4 1682 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 1626a_200015186297_100015343762 [0,1,0,0,0,1|2,0,0]=4 1683 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 240690a_200015186297_100015343762 [0,1,0,0,0,1|2,0,0]=4 1684 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 527a_200015186297_100103153847 [0,1,0,0,0,1|2,0,0]=4 1685 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,1,0,0,0,1|2,0,0]=4 1686 B12R1.21 [13CH3]C(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200025704644 [0,1,0,0,0,1|2,0,0]=4 1687 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,1,0,0,0,1|2,0,0]=4 1688 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,1,0,0,0,1|2,0,0]=4 1689 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,1,0,0,0,1|2,0,0]=4 1690 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,1,0,0,0,1|2,0,0]=4 1691 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,1,0,0,0,1|2,0,0]=4 1692 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,1,0,0,0,1|2,0,0]=4 1693 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,1,0,0,0,1|2,0,0]=4 1694 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,1,0,0,0,1|2,0,0]=4 1695 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,1,0,0,0,1|2,0,0]=4 1696 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,1,0,0,0,1|2,0,0]=4 1697 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,1,0,0,0,1|2,0,0]=4 1698 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,1,0,0,0,1|2,0,0]=4 1699 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,1,0,0,0,1|2,0,0]=4 1700 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,1,0,0,0,1|2,0,0]=4 1701 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,1,0,0,0,1|2,0,0]=4 1702 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,1,0,0,0,1|2,0,0]=4 1703 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,1,0,0,0,1|2,0,0]=4 1704 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 1705 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 1706 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 1707 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 1708 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [0,1,0,0,0,1|2,0,0]=4 1709 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [0,1,0,0,0,1|2,0,0]=4 1710 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [0,1,0,0,0,1|2,0,0]=4 1711 B12R1.27 CCC(=O)NCc1cccnn1 11a_100159270163_100000210414 [0,1,0,0,0,1|2,0,0]=4 1712 B12R1.27 CCC(=O)NCc1cccnn1 240690a_100159270163_100000210414 [0,1,0,0,0,1|2,0,0]=4 1713 B12R1.27 CCC(=O)NCc1cccnn1 527a_100159270163_100000210414 [0,1,0,0,0,1|2,0,0]=4 1714 B12R1.27 CCC(=O)NCc1ccncc1 11a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 1715 B12R1.27 CCC(=O)NCc1ccncc1 1626a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 1716 B12R1.27 CCC(=O)NCc1ccncc1 240690a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 1717 B12R1.27 CCC(=O)NCc1ccncc1 527a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 1718 B12R1.27 CCC(=O)NCc1ccncn1 11a_100000736019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1719 B12R1.27 CCC(=O)NCc1ccncn1 240690a_100000736019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1720 B12R1.27 CCC(=O)NCc1ccncn1 527a_100000736019_100000210414 [0,1,0,0,0,1|2,0,0]=4 1721 B12R1.27 CCC(=O)NCc1cnccn1 11a_100000737960_100000210414 [0,1,0,0,0,1|2,0,0]=4 1722 B12R1.27 CCC(=O)NCc1cnccn1 240690a_100000737960_100000210414 [0,1,0,0,0,1|2,0,0]=4 1723 B12R1.27 CCC(=O)NCc1cnccn1 527a_100000737960_100000210414 [0,1,0,0,0,1|2,0,0]=4 1724 B12R1.27 CCC(=O)NCc1ncccn1 11a_100015189908_100000210414 [0,1,0,0,0,1|2,0,0]=4 1725 B12R1.27 CCC(=O)NCc1ncccn1 240690a_100015189908_100000210414 [0,1,0,0,0,1|2,0,0]=4 1726 B12R1.27 CCC(=O)NCc1ncccn1 527a_100015189908_100000210414 [0,1,0,0,0,1|2,0,0]=4 1727 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,1,0,0,0,1|2,0,0]=4 1728 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,1,0,0,0,1|2,0,0]=4 1729 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,1,0,0,0,1|2,0,0]=4 1730 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,1,0,0,0,1|2,0,0]=4 1731 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,1,0,0,0,1|2,0,0]=4 1732 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,1,0,0,0,1|2,0,0]=4 1733 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,1,0,0,0,1|2,0,0]=4 1734 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,1,0,0,0,1|2,0,0]=4 1735 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,1,0,0,0,1|2,0,0]=4 1736 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,1,0,0,0,1|2,0,0]=4 1737 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,1,0,0,0,1|2,0,0]=4 1738 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,1,0,0,0,1|2,0,0]=4 1739 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,1,0,0,0,1|2,0,0]=4 1740 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,1,0,0,0,1|2,0,0]=4 1741 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,1,0,0,0,1|2,0,0]=4 1742 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,1,0,0,0,1|2,0,0]=4 1743 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,1,0,0,0,1|2,0,0]=4 1744 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,1,0,0,0,1|2,0,0]=4 1745 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,1,0,0,0,1|2,0,0]=4 1746 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,1,0,0,0,1|2,0,0]=4 1747 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,1,0,0,0,1|2,0,0]=4 1748 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,1,0,0,0,1|2,0,0]=4 1749 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,1,0,0,0,1|2,0,0]=4 1750 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,1,0,0,0,1|2,0,0]=4 1751 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,1,0,0,0,1|2,0,0]=4 1752 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,1,0,0,0,1|2,0,0]=4 1753 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,1,0,0,0,1|2,0,0]=4 1754 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,1,0,0,0,1|2,0,0]=4 1755 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,1,0,0,0,1|2,0,0]=4 1756 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,1,0,0,0,1|2,0,0]=4 1757 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,1,0,0,0,1|2,0,0]=4 1758 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100102657272_100159270163 [0,1,0,0,0,1|2,0,0]=4 1759 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100159270163_106832991635 [0,1,0,0,0,1|2,0,0]=4 1760 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100102657272_100159270163 [0,1,0,0,0,1|2,0,0]=4 1761 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100159270163_100102657272 [0,1,0,0,0,1|2,0,0]=4 1762 B12R1.27 CNC(=O)NCc1cccnn1 512a_100159270163_100102657272 [0,1,0,0,0,1|2,0,0]=4 1763 B12R1.27 CNC(=O)NCc1cccnn1 512a_106832991638_100159270163 [0,1,0,0,0,1|2,0,0]=4 1764 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [0,1,0,0,0,1|2,0,0]=4 1765 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [0,1,0,0,0,1|2,0,0]=4 1766 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [0,1,0,0,0,1|2,0,0]=4 1767 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [0,1,0,0,0,1|2,0,0]=4 1768 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [0,1,0,0,0,1|2,0,0]=4 1769 B12R1.27 CNC(=O)NCc1ccncn1 2708a_100102657272_100000736019 [0,1,0,0,0,1|2,0,0]=4 1770 B12R1.27 CNC(=O)NCc1ccncn1 273464a_100102657272_100000736019 [0,1,0,0,0,1|2,0,0]=4 1771 B12R1.27 CNC(=O)NCc1ccncn1 512a_100000736019_100102657272 [0,1,0,0,0,1|2,0,0]=4 1772 B12R1.27 CNC(=O)NCc1ccncn1 512a_106832991638_100000736019 [0,1,0,0,0,1|2,0,0]=4 1773 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100000737960_106832991635 [0,1,0,0,0,1|2,0,0]=4 1774 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100102657272_100000737960 [0,1,0,0,0,1|2,0,0]=4 1775 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100000737960_100102657272 [0,1,0,0,0,1|2,0,0]=4 1776 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100102657272_100000737960 [0,1,0,0,0,1|2,0,0]=4 1777 B12R1.27 CNC(=O)NCc1cnccn1 512a_100000737960_100102657272 [0,1,0,0,0,1|2,0,0]=4 1778 B12R1.27 CNC(=O)NCc1cnccn1 512a_106832991638_100000737960 [0,1,0,0,0,1|2,0,0]=4 1779 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100015189908_106832991635 [0,1,0,0,0,1|2,0,0]=4 1780 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100102657272_100015189908 [0,1,0,0,0,1|2,0,0]=4 1781 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100015189908_100102657272 [0,1,0,0,0,1|2,0,0]=4 1782 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100102657272_100015189908 [0,1,0,0,0,1|2,0,0]=4 1783 B12R1.27 CNC(=O)NCc1ncccn1 512a_100015189908_100102657272 [0,1,0,0,0,1|2,0,0]=4 1784 B12R1.27 CNC(=O)NCc1ncccn1 512a_106832991638_100015189908 [0,1,0,0,0,1|2,0,0]=4 1785 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,1,0,0,0,1|2,0,0]=4 1786 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,1,0,0,0,1|2,0,0]=4 1787 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [0,1,0,0,0,1|2,0,0]=4 1788 B12R1.27 O=C(CF)CCc1ccncc1 1458a_100011225043_100015361967 [0,1,0,0,0,1|2,0,0]=4 1789 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,1,0,0,0,1|2,0,0]=4 1790 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,1,0,0,0,1|2,0,0]=4 1791 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,1,0,0,0,1|2,0,0]=4 1792 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,1,0,0,0,1|2,0,0]=4 1793 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,1,0,0,0,1|2,0,0]=4 1794 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,1,0,0,0,1|2,0,0]=4 1795 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,1,0,0,0,1|2,0,0]=4 1796 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,1,0,0,0,1|2,0,0]=4 1797 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,1,0,0,0,1|2,0,0]=4 1798 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,1,0,0,0,1|2,0,0]=4 1799 B12R1.27 O=C(CO)NCc1cccnn1 240690a_100159270163_100000210174 [0,1,0,0,0,1|2,0,0]=4 1800 B12R1.27 O=C(CO)NCc1cccnn1 527a_100159270163_100000210174 [0,1,0,0,0,1|2,0,0]=4 1801 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,1,0,0,0,1|2,0,0]=4 1802 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,1,0,0,0,1|2,0,0]=4 1803 B12R1.27 O=C(CO)NCc1ccncn1 240690a_100000736019_100000210174 [0,1,0,0,0,1|2,0,0]=4 1804 B12R1.27 O=C(CO)NCc1ccncn1 527a_100000736019_100000210174 [0,1,0,0,0,1|2,0,0]=4 1805 B12R1.27 O=C(CO)NCc1cnccn1 240690a_100000737960_100000210174 [0,1,0,0,0,1|2,0,0]=4 1806 B12R1.27 O=C(CO)NCc1cnccn1 527a_100000737960_100000210174 [0,1,0,0,0,1|2,0,0]=4 1807 B12R1.27 O=C(CO)NCc1ncccn1 240690a_100015189908_100000210174 [0,1,0,0,0,1|2,0,0]=4 1808 B12R1.27 O=C(CO)NCc1ncccn1 527a_100015189908_100000210174 [0,1,0,0,0,1|2,0,0]=4 1809 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,1|2,0,0]=4 1810 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,1|2,0,0]=4 1811 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,0,1|2,0,0]=4 1812 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,1|2,0,0]=4 1813 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,1|2,0,0]=4 1814 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,1|2,0,0]=4 1815 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,1|2,0,0]=4 1816 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [0,1,0,0,0,1|2,0,0]=4 1817 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [0,1,0,0,0,1|2,0,0]=4 1818 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.43 CC(=O)N(C)Cc1cccnc1 11a_100000184577_100015343762 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.43 CC(=O)N(C)Cc1cccnc1 240690a_100000184577_100015343762 [0,1,0,0,0,1|2,0,0]=4 1821 B12R1.43 CC(=O)N(C)Cc1cccnc1 527a_100000184577_100103153847 [0,1,0,0,0,1|2,0,0]=4 1822 B12R1.43 CC(=O)N(C)Cc1ccncc1 11a_100000187231_100015343762 [0,1,0,0,0,1|2,0,0]=4 1823 B12R1.43 CC(=O)N(C)Cc1ccncc1 240690a_100000187231_100015343762 [0,1,0,0,0,1|2,0,0]=4 1824 B12R1.43 CC(=O)N(C)Cc1ccncc1 527a_100000187231_100103153847 [0,1,0,0,0,1|2,0,0]=4 1825 B12R1.43 CC(=O)N(C)Cc1cnccn1 11a_100011269079_100015343762 [0,1,0,0,0,1|2,0,0]=4 1826 B12R1.43 CC(=O)N(C)Cc1cnccn1 240690a_100011269079_100015343762 [0,1,0,0,0,1|2,0,0]=4 1827 B12R1.43 CC(=O)N(C)Cc1cnccn1 527a_100011269079_100103153847 [0,1,0,0,0,1|2,0,0]=4 1828 B12R1.43 CC(=O)N(C)Cc1ncccn1 11a_100025716638_100015343762 [0,1,0,0,0,1|2,0,0]=4 1829 B12R1.43 CC(=O)N(C)Cc1ncccn1 240690a_100025716638_100015343762 [0,1,0,0,0,1|2,0,0]=4 1830 B12R1.43 CC(=O)N(C)Cc1ncccn1 527a_100025716638_100103153847 [0,1,0,0,0,1|2,0,0]=4 1831 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,1|2,0,0]=4 1832 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,1|2,0,0]=4 1833 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,0,1|2,0,0]=4 1834 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,1|2,0,0]=4 1835 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,0,1|2,0,0]=4 1836 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,0,1|2,0,0]=4 1837 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,0,1|2,0,0]=4 1838 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,0,1|2,0,0]=4 1839 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,0,1|2,0,0]=4 1840 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [0,1,0,0,0,1|2,0,0]=4 1841 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [0,1,0,0,0,1|2,0,0]=4 1842 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [0,1,0,0,0,1|2,0,0]=4 1843 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [0,1,0,0,0,1|2,0,0]=4 1844 B12R1.107 CC(=O)NC(C)c1cccnc1 11a_100000195435_100015343762 [0,1,0,0,0,1|2,0,0]=4 1845 B12R1.107 CC(=O)NC(C)c1cccnc1 240690a_100000195435_100015343762 [0,1,0,0,0,1|2,0,0]=4 1846 B12R1.107 CC(=O)NC(C)c1cccnc1 527a_100000195435_100103153847 [0,1,0,0,0,1|2,0,0]=4 1847 B12R1.107 CC(=O)NC(C)c1ccncc1 240690a_100000181269_100015343762 [0,1,0,0,0,1|2,0,0]=4 1848 B12R1.107 CC(=O)NC(C)c1ccncc1 527a_100000181269_100103153847 [0,1,0,0,0,1|2,0,0]=4 1849 B12R1.107 CC(=O)NC(C)c1ncccn1 11a_100020641698_100015343762 [0,1,0,0,0,1|2,0,0]=4 1850 B12R1.107 CC(=O)NC(C)c1ncccn1 1626a_100020641698_100015343762 [0,1,0,0,0,1|2,0,0]=4 1851 B12R1.107 CC(=O)NC(C)c1ncccn1 240690a_100020641698_100015343762 [0,1,0,0,0,1|2,0,0]=4 1852 B12R1.107 CC(=O)NC(C)c1ncccn1 527a_100020641698_100103153847 [0,1,0,0,0,1|2,0,0]=4 1853 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,0,0,0,1|2,0,0]=4 1854 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,0,0,0,1|2,0,0]=4 1855 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,0,0,0,1|2,0,0]=4 1856 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,0,0,0,1|2,0,0]=4 1857 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 11a_100020589798_100015343762 [0,1,0,0,0,1|2,0,0]=4 1858 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 240690a_100020589798_100015343762 [0,1,0,0,0,1|2,0,0]=4 1859 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 527a_100020589798_100103153847 [0,1,0,0,0,1|2,0,0]=4 1860 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,0,1|2,0,0]=4 1861 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,0,1|2,0,0]=4 1862 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,1,0,0,0,1|2,0,0]=4 1863 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,1,0,0,0,1|2,0,0]=4 1864 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,1,0,0,0,1|2,0,0]=4 1865 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,1,0,0,0,1|2,0,0]=4 1866 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,1,0,0,0,1|2,0,0]=4 1867 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,1,0,0,0,1|2,0,0]=4 1868 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,1,0,0,0,1|2,0,0]=4 1869 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,1,0,0,0,1|2,0,0]=4 1870 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,1,0,0,0,1|2,0,0]=4 1871 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,1,0,0,0,1|2,0,0]=4 1872 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,1,0,0,0,1|2,0,0]=4 1873 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,1,0,0,0,1|2,0,0]=4 1874 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,1,0,0,0,1|2,0,0]=4 1875 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,1,0,0,0,1|2,0,0]=4 1876 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,1,0,0,0,1|2,0,0]=4 1877 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,1,0,0,0,1|2,0,0]=4 1878 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,1,0,0,0,1|2,0,0]=4 1879 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,1,0,0,0,1|2,0,0]=4 1880 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,1,0,0,0,1|2,0,0]=4 1881 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,1,0,0,0,1|2,0,0]=4 1882 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,1,0,0,0,1|2,0,0]=4 1883 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,1,0,0,0,1|2,0,0]=4 1884 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,1,0,0,0,1|2,0,0]=4 1885 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,1,0,0,0,1|2,0,0]=4 1886 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,1,0,0,0,1|2,0,0]=4 1887 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,1,0,0,0,1|2,0,0]=4 1888 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,1,0,0,0,1|2,0,0]=4 1889 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,1,0,0,0,1|2,0,0]=4 1890 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,1,0,0,0,1|2,0,0]=4 1891 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,1,0,0,0,1|2,0,0]=4 1892 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,1,0,0,0,1|2,0,0]=4 1893 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,1,0,0,0,1|2,0,0]=4 1894 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,1,0,0,0,1|2,0,0]=4 1895 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,1,0,0,0,1|2,0,0]=4 1896 B12R1.125 CC(=O)NCc1cccnc1Br 11a_100009818023_100015343762 [0,1,0,0,0,1|2,0,0]=4 1897 B12R1.125 CC(=O)NCc1cccnc1Br 240690a_100009818023_100015343762 [0,1,0,0,0,1|2,0,0]=4 1898 B12R1.125 CC(=O)NCc1cccnc1Br 527a_100009818023_100103153847 [0,1,0,0,0,1|2,0,0]=4 1899 B12R1.125 CC(=O)NCc1cccnc1Cl 11a_100015189234_100015343762 [0,1,0,0,0,1|2,0,0]=4 1900 B12R1.125 CC(=O)NCc1cccnc1Cl 1626a_100015189234_100015343762 [0,1,0,0,0,1|2,0,0]=4 1901 B12R1.125 CC(=O)NCc1cccnc1Cl 240690a_100015189234_100015343762 [0,1,0,0,0,1|2,0,0]=4 1902 B12R1.125 CC(=O)NCc1cccnc1Cl 527a_100015189234_100103153847 [0,1,0,0,0,1|2,0,0]=4 1903 B12R1.125 CC(=O)NCc1cccnc1F 11a_100000724633_100015343762 [0,1,0,0,0,1|2,0,0]=4 1904 B12R1.125 CC(=O)NCc1cccnc1F 1626a_100000724633_100015343762 [0,1,0,0,0,1|2,0,0]=4 1905 B12R1.125 CC(=O)NCc1cccnc1F 240690a_100000724633_100015343762 [0,1,0,0,0,1|2,0,0]=4 1906 B12R1.125 CC(=O)NCc1cccnc1F 527a_100000724633_100103153847 [0,1,0,0,0,1|2,0,0]=4 1907 B12R1.125 CC(=O)NCc1ccncc1Br 11a_100020640021_100015343762 [0,1,0,0,0,1|2,0,0]=4 1908 B12R1.125 CC(=O)NCc1ccncc1Br 240690a_100020640021_100015343762 [0,1,0,0,0,1|2,0,0]=4 1909 B12R1.125 CC(=O)NCc1ccncc1Br 527a_100020640021_100103153847 [0,1,0,0,0,1|2,0,0]=4 1910 B12R1.125 CC(=O)NCc1ccncc1C 11a_100000708811_100015343762 [0,1,0,0,0,1|2,0,0]=4 1911 B12R1.125 CC(=O)NCc1ccncc1C 1626a_100000708811_100015343762 [0,1,0,0,0,1|2,0,0]=4 1912 B12R1.125 CC(=O)NCc1ccncc1C 240690a_100000708811_100015343762 [0,1,0,0,0,1|2,0,0]=4 1913 B12R1.125 CC(=O)NCc1ccncc1C 527a_100000708811_100103153847 [0,1,0,0,0,1|2,0,0]=4 1914 B12R1.125 CC(=O)NCc1ccncc1F 11a_100011935246_100015343762 [0,1,0,0,0,1|2,0,0]=4 1915 B12R1.125 CC(=O)NCc1ccncc1F 1626a_100011935246_100015343762 [0,1,0,0,0,1|2,0,0]=4 1916 B12R1.125 CC(=O)NCc1ccncc1F 240690a_100011935246_100015343762 [0,1,0,0,0,1|2,0,0]=4 1917 B12R1.125 CC(=O)NCc1ccncc1F 527a_100011935246_100103153847 [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.125 CC(=O)NCc1cnccc1C 11a_100011997553_100015343762 [0,1,0,0,0,1|2,0,0]=4 1919 B12R1.125 CC(=O)NCc1cnccc1C 240690a_100011997553_100015343762 [0,1,0,0,0,1|2,0,0]=4 1920 B12R1.125 CC(=O)NCc1cnccc1C 527a_100011997553_100103153847 [0,1,0,0,0,1|2,0,0]=4 1921 B12R1.125 CC(=O)NCc1ncccc1Br 11a_100020591323_100015343762 [0,1,0,0,0,1|2,0,0]=4 1922 B12R1.125 CC(=O)NCc1ncccc1Br 240690a_100020591323_100015343762 [0,1,0,0,0,1|2,0,0]=4 1923 B12R1.125 CC(=O)NCc1ncccc1Br 527a_100020591323_100103153847 [0,1,0,0,0,1|2,0,0]=4 1924 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [0,1,0,0,0,1|2,0,0]=4 1925 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [0,1,0,0,0,1|2,0,0]=4 1926 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [0,1,0,0,0,1|2,0,0]=4 1927 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [0,1,0,0,0,1|2,0,0]=4 1928 B12R1.125 CC(=O)NCc1ncccc1Cl 11a_100015189233_100015343762 [0,1,0,0,0,1|2,0,0]=4 1929 B12R1.125 CC(=O)NCc1ncccc1Cl 1626a_100015189233_100015343762 [0,1,0,0,0,1|2,0,0]=4 1930 B12R1.125 CC(=O)NCc1ncccc1Cl 240690a_100015189233_100015343762 [0,1,0,0,0,1|2,0,0]=4 1931 B12R1.125 CC(=O)NCc1ncccc1Cl 527a_100015189233_100103153847 [0,1,0,0,0,1|2,0,0]=4 1932 B12R1.125 CC(=O)NCc1ncccc1F 11a_100000690088_100015343762 [0,1,0,0,0,1|2,0,0]=4 1933 B12R1.125 CC(=O)NCc1ncccc1F 1626a_100000690088_100015343762 [0,1,0,0,0,1|2,0,0]=4 1934 B12R1.125 CC(=O)NCc1ncccc1F 240690a_100000690088_100015343762 [0,1,0,0,0,1|2,0,0]=4 1935 B12R1.125 CC(=O)NCc1ncccc1F 527a_100000690088_100103153847 [0,1,0,0,0,1|2,0,0]=4 1936 B12R1.125 CC(=O)NCc1nccnc1C 11a_100020641712_100015343762 [0,1,0,0,0,1|2,0,0]=4 1937 B12R1.125 CC(=O)NCc1nccnc1C 240690a_100020641712_100015343762 [0,1,0,0,0,1|2,0,0]=4 1938 B12R1.125 CC(=O)NCc1nccnc1C 527a_100020641712_100103153847 [0,1,0,0,0,1|2,0,0]=4 1939 B12R1.125 CC(=O)NCc1nccnc1Cl 11a_100000729963_100015343762 [0,1,0,0,0,1|2,0,0]=4 1940 B12R1.125 CC(=O)NCc1nccnc1Cl 240690a_100000729963_100015343762 [0,1,0,0,0,1|2,0,0]=4 1941 B12R1.125 CC(=O)NCc1nccnc1Cl 527a_100000729963_100103153847 [0,1,0,0,0,1|2,0,0]=4 1942 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,1,0,0,0,1|2,0,0]=4 1943 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,1,0,0,0,1|2,0,0]=4 1944 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,1,0,0,0,1|2,0,0]=4 1945 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,1,0,0,0,1|2,0,0]=4 1946 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,1,0,0,0,1|2,0,0]=4 1947 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,1,0,0,0,1|2,0,0]=4 1948 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,1,0,0,0,1|2,0,0]=4 1949 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,1,0,0,0,1|2,0,0]=4 1950 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,1,0,0,0,1|2,0,0]=4 1951 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,1,0,0,0,1|2,0,0]=4 1952 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,1,0,0,0,1|2,0,0]=4 1953 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,1,0,0,0,1|2,0,0]=4 1954 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,1,0,0,0,1|2,0,0]=4 1955 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,1,0,0,0,1|2,0,0]=4 1956 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,1,0,0,0,1|2,0,0]=4 1957 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,1,0,0,0,1|2,0,0]=4 1958 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,1,0,0,0,1|2,0,0]=4 1959 B12R1.226 CC(=O)NCc1cc(ccn1)Br 11a_100009818019_100015343762 [0,1,0,0,0,1|2,0,0]=4 1960 B12R1.226 CC(=O)NCc1cc(ccn1)Br 1626a_100009818019_100015343762 [0,1,0,0,0,1|2,0,0]=4 1961 B12R1.226 CC(=O)NCc1cc(ccn1)Br 240690a_100009818019_100015343762 [0,1,0,0,0,1|2,0,0]=4 1962 B12R1.226 CC(=O)NCc1cc(ccn1)Br 527a_100009818019_100103153847 [0,1,0,0,0,1|2,0,0]=4 1963 B12R1.226 CC(=O)NCc1cc(ccn1)C 11a_100011934573_100015343762 [0,1,0,0,0,1|2,0,0]=4 1964 B12R1.226 CC(=O)NCc1cc(ccn1)C 1626a_100011934573_100015343762 [0,1,0,0,0,1|2,0,0]=4 1965 B12R1.226 CC(=O)NCc1cc(ccn1)C 240690a_100011934573_100015343762 [0,1,0,0,0,1|2,0,0]=4 1966 B12R1.226 CC(=O)NCc1cc(ccn1)C 527a_100011934573_100103153847 [0,1,0,0,0,1|2,0,0]=4 1967 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 11a_100000085674_100015343762 [0,1,0,0,0,1|2,0,0]=4 1968 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 1626a_100000085674_100015343762 [0,1,0,0,0,1|2,0,0]=4 1969 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100015343762 [0,1,0,0,0,1|2,0,0]=4 1970 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 527a_100000085674_100103153847 [0,1,0,0,0,1|2,0,0]=4 1971 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 11a_100000696482_100015343762 [0,1,0,0,0,1|2,0,0]=4 1972 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 1626a_100000696482_100015343762 [0,1,0,0,0,1|2,0,0]=4 1973 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 240690a_100000696482_100015343762 [0,1,0,0,0,1|2,0,0]=4 1974 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 527a_100000696482_100103153847 [0,1,0,0,0,1|2,0,0]=4 1975 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,1,0,0,0,1|2,0,0]=4 1976 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,1,0,0,0,1|2,0,0]=4 1977 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,1,0,0,0,1|2,0,0]=4 1978 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,1,0,0,0,1|2,0,0]=4 1979 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,1,0,0,0,1|2,0,0]=4 1980 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,1,0,0,0,1|2,0,0]=4 1981 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,1,0,0,0,1|2,0,0]=4 1982 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,1,0,0,0,1|2,0,0]=4 1983 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,1,0,0,0,1|2,0,0]=4 1984 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,1,0,0,0,1|2,0,0]=4 1985 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,1,0,0,0,1|2,0,0]=4 1986 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,1,0,0,0,1|2,0,0]=4 1987 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,1,0,0,0,1|2,0,0]=4 1988 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,1,0,0,0,1|2,0,0]=4 1989 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,1,0,0,0,1|2,0,0]=4 1990 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,1,0,0,0,1|2,0,0]=4 1991 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,1,0,0,0,1|2,0,0]=4 1992 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,1,0,0,0,1|2,0,0]=4 1993 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,1,0,0,0,1|2,0,0]=4 1994 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,1,0,0,0,1|2,0,0]=4 1995 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,1,0,0,0,1|2,0,0]=4 1996 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,1,0,0,0,1|2,0,0]=4 1997 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,1,0,0,0,1|2,0,0]=4 1998 B12R1.226 CC(=O)NCc1cccc(n1)Br 11a_100016987751_100015343762 [0,1,0,0,0,1|2,0,0]=4 1999 B12R1.226 CC(=O)NCc1cccc(n1)Br 1626a_100016987751_100015343762 [0,1,0,0,0,1|2,0,0]=4 2000 B12R1.226 CC(=O)NCc1cccc(n1)Br 240690a_100016987751_100015343762 [0,1,0,0,0,1|2,0,0]=4 2001 B12R1.226 CC(=O)NCc1cccc(n1)Br 527a_100016987751_100103153847 [0,1,0,0,0,1|2,0,0]=4 2002 B12R1.226 CC(=O)NCc1cccc(n1)C 11a_100000701342_100015343762 [0,1,0,0,0,1|2,0,0]=4 2003 B12R1.226 CC(=O)NCc1cccc(n1)C 1626a_100000701342_100015343762 [0,1,0,0,0,1|2,0,0]=4 2004 B12R1.226 CC(=O)NCc1cccc(n1)C 240690a_100000701342_100015343762 [0,1,0,0,0,1|2,0,0]=4 2005 B12R1.226 CC(=O)NCc1cccc(n1)C 527a_100000701342_100103153847 [0,1,0,0,0,1|2,0,0]=4 2006 B12R1.226 CC(=O)NCc1cccc(n1)Cl 11a_100016990191_100015343762 [0,1,0,0,0,1|2,0,0]=4 2007 B12R1.226 CC(=O)NCc1cccc(n1)Cl 1626a_100016990191_100015343762 [0,1,0,0,0,1|2,0,0]=4 2008 B12R1.226 CC(=O)NCc1cccc(n1)Cl 240690a_100016990191_100015343762 [0,1,0,0,0,1|2,0,0]=4 2009 B12R1.226 CC(=O)NCc1cccc(n1)Cl 527a_100016990191_100103153847 [0,1,0,0,0,1|2,0,0]=4 2010 B12R1.226 CC(=O)NCc1cccc(n1)F 11a_100015188798_100015343762 [0,1,0,0,0,1|2,0,0]=4 2011 B12R1.226 CC(=O)NCc1cccc(n1)F 1626a_100015188798_100015343762 [0,1,0,0,0,1|2,0,0]=4 2012 B12R1.226 CC(=O)NCc1cccc(n1)F 240690a_100015188798_100015343762 [0,1,0,0,0,1|2,0,0]=4 2013 B12R1.226 CC(=O)NCc1cccc(n1)F 527a_100015188798_100103153847 [0,1,0,0,0,1|2,0,0]=4 2014 B12R1.226 CC(=O)NCc1ccnc(c1)Br 11a_100025757509_100015343762 [0,1,0,0,0,1|2,0,0]=4 2015 B12R1.226 CC(=O)NCc1ccnc(c1)Br 240690a_100025757509_100015343762 [0,1,0,0,0,1|2,0,0]=4 2016 B12R1.226 CC(=O)NCc1ccnc(c1)Br 527a_100025757509_100103153847 [0,1,0,0,0,1|2,0,0]=4 2017 B12R1.226 CC(=O)NCc1ccnc(c1)C 11a_100011934566_100015343762 [0,1,0,0,0,1|2,0,0]=4 2018 B12R1.226 CC(=O)NCc1ccnc(c1)C 1626a_100011934566_100015343762 [0,1,0,0,0,1|2,0,0]=4 2019 B12R1.226 CC(=O)NCc1ccnc(c1)C 240690a_100011934566_100015343762 [0,1,0,0,0,1|2,0,0]=4 2020 B12R1.226 CC(=O)NCc1ccnc(c1)C 527a_100011934566_100103153847 [0,1,0,0,0,1|2,0,0]=4 2021 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 11a_100015205668_100015343762 [0,1,0,0,0,1|2,0,0]=4 2022 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 1626a_100015205668_100015343762 [0,1,0,0,0,1|2,0,0]=4 2023 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 240690a_100015205668_100015343762 [0,1,0,0,0,1|2,0,0]=4 2024 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 527a_100015205668_100103153847 [0,1,0,0,0,1|2,0,0]=4 2025 B12R1.226 CC(=O)NCc1ccnc(c1)F 11a_100015188774_100015343762 [0,1,0,0,0,1|2,0,0]=4 2026 B12R1.226 CC(=O)NCc1ccnc(c1)F 1626a_100015188774_100015343762 [0,1,0,0,0,1|2,0,0]=4 2027 B12R1.226 CC(=O)NCc1ccnc(c1)F 240690a_100015188774_100015343762 [0,1,0,0,0,1|2,0,0]=4 2028 B12R1.226 CC(=O)NCc1ccnc(c1)F 527a_100015188774_100103153847 [0,1,0,0,0,1|2,0,0]=4 2029 B12R1.226 CC(=O)NCc1ccnc(c1)O 11a_100000748557_100015343762 [0,1,0,0,0,1|2,0,0]=4 2030 B12R1.226 CC(=O)NCc1ccnc(c1)O 240690a_100000748557_100015343762 [0,1,0,0,0,1|2,0,0]=4 2031 B12R1.226 CC(=O)NCc1ccnc(c1)O 527a_100000748557_100103153847 [0,1,0,0,0,1|2,0,0]=4 2032 B12R1.226 CC(=O)NCc1cncc(c1)Br 11a_100011249555_100015343762 [0,1,0,0,0,1|2,0,0]=4 2033 B12R1.226 CC(=O)NCc1cncc(c1)Br 240690a_100011249555_100015343762 [0,1,0,0,0,1|2,0,0]=4 2034 B12R1.226 CC(=O)NCc1cncc(c1)Br 527a_100011249555_100103153847 [0,1,0,0,0,1|2,0,0]=4 2035 B12R1.226 CC(=O)NCc1cncc(c1)C 11a_100000692839_100015343762 [0,1,0,0,0,1|2,0,0]=4 2036 B12R1.226 CC(=O)NCc1cncc(c1)C 1626a_100000692839_100015343762 [0,1,0,0,0,1|2,0,0]=4 2037 B12R1.226 CC(=O)NCc1cncc(c1)C 240690a_100000692839_100015343762 [0,1,0,0,0,1|2,0,0]=4 2038 B12R1.226 CC(=O)NCc1cncc(c1)C 527a_100000692839_100103153847 [0,1,0,0,0,1|2,0,0]=4 2039 B12R1.226 CC(=O)NCc1cncc(c1)Cl 11a_200020614424_100015343762 [0,1,0,0,0,1|2,0,0]=4 2040 B12R1.226 CC(=O)NCc1cncc(c1)Cl 1626a_200020614424_100015343762 [0,1,0,0,0,1|2,0,0]=4 2041 B12R1.226 CC(=O)NCc1cncc(c1)Cl 240690a_200020614424_100015343762 [0,1,0,0,0,1|2,0,0]=4 2042 B12R1.226 CC(=O)NCc1cncc(c1)Cl 527a_200020614424_100103153847 [0,1,0,0,0,1|2,0,0]=4 2043 B12R1.226 CC(=O)NCc1cncc(c1)F 11a_100011962886_100015343762 [0,1,0,0,0,1|2,0,0]=4 2044 B12R1.226 CC(=O)NCc1cncc(c1)F 1626a_100011962886_100015343762 [0,1,0,0,0,1|2,0,0]=4 2045 B12R1.226 CC(=O)NCc1cncc(c1)F 240690a_100011962886_100015343762 [0,1,0,0,0,1|2,0,0]=4 2046 B12R1.226 CC(=O)NCc1cncc(c1)F 527a_100011962886_100103153847 [0,1,0,0,0,1|2,0,0]=4 2047 B12R1.226 CC(=O)NCc1nccc(n1)C 11a_100015186494_100015343762 [0,1,0,0,0,1|2,0,0]=4 2048 B12R1.226 CC(=O)NCc1nccc(n1)C 1626a_100015186494_100015343762 [0,1,0,0,0,1|2,0,0]=4 2049 B12R1.226 CC(=O)NCc1nccc(n1)C 240690a_100015186494_100015343762 [0,1,0,0,0,1|2,0,0]=4 2050 B12R1.226 CC(=O)NCc1nccc(n1)C 527a_100015186494_100103153847 [0,1,0,0,0,1|2,0,0]=4 2051 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,1,0,0,0,1|2,0,0]=4 2052 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,1,0,0,0,1|2,0,0]=4 2053 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,1,0,0,0,1|2,0,0]=4 2054 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,1,0,0,0,1|2,0,0]=4 2055 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,1,0,0,0,1|2,0,0]=4 2056 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,1,0,0,0,1|2,0,0]=4 2057 B12R1.54 C=C(C)CN[C@H](C)c1ccco1 2230a_100160469435_100000748629 [0,1,0,0,0,1|2,0,0]=4 2058 B12R1.54 C=C(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000748629 [0,1,0,0,0,1|1,0,0]=3 2059 B12R1.54 C=C(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000748629 [0,1,0,0,0,1|1,0,0]=3 2060 B12R1.54 C=C(C)CO[C@H](C)c1cccs1 7a_100000750433_100000748629 [0,1,0,0,0,1|1,1,0]=4 2061 B12R1.54 C=C(F)CO[C@@H](C)c1ccco1 34a_100000755270_100009893438 [0,1,0,0,0,1|1,0,1]=4 2062 B12R1.54 C=C(F)CO[C@@H](C)c1ccco1 7a_100000755270_100000042424 [0,1,0,0,0,1|1,0,1]=4 2063 B12R1.54 CC(=O)CCC(=O)c1cccs1 1458a_100000070787_100011290775 [0,1,0,0,0,1|1,1,0]=4 2064 B12R1.54 CC(=O)CNC(=O)c1ccco1 1458a_200000183647_200000210301 [0,1,0,0,0,1|1,0,1]=4 2065 B12R1.54 CC(=O)NCC(O)c1ccco1 527a_100000738650_100103153847 [0,1,0,0,0,1|1,0,0]=3 2066 B12R1.54 CC(=O)NN=C(C)c1ccco1 4a_100000189765_100000210965 [0,1,0,0,0,1|1,0,1]=4 2067 B12R1.54 CC(=O)NNC(=O)c1ccco1 22a_100000185077_100000070787 [0,1,0,0,0,1|1,0,1]=4 2068 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000210624 [0,1,0,0,0,1|1,0,1]=4 2069 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000210760 [0,1,0,0,0,1|1,0,1]=4 2070 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 34a_100000755270_100011218427 [0,1,0,0,0,1|0,0,2]=4 2071 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 7a_100000755270_100011218427 [0,1,0,0,0,1|0,0,2]=4 2072 B12R1.54 C[C@@H](NCC(=O)N)c1ccco1 2230a_100160469435_100000747473 [0,1,0,0,0,1|2,0,0]=4 2073 B12R1.54 C[C@@H](OCC(=O)N)c1cccs1 7a_100000750433_100000187820 [0,1,0,0,0,1|1,1,0]=4 2074 B12R1.54 C[C@H](OCC(=O)N)c1ccco1 34a_100000755270_100000187820 [0,1,0,0,0,1|1,0,0]=3 2075 B12R1.54 C[C@H](OCC(=O)N)c1ccco1 7a_100000755270_100000187820 [0,1,0,0,0,1|1,0,0]=3 2076 B12R1.54 C[C@H](OCC(=O)[O-])c1ccco1 34a_100000755270_100020667443 [0,1,0,0,0,1|1,0,0]=3 2077 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 34a_100000755270_100009817552 [0,1,0,0,0,1|0,0,2]=4 2078 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 7a_100000755270_100009817552 [0,1,0,0,0,1|0,0,2]=4 2079 B12R1.54 C[C@H](OC[N+](=O)[O-])c1ccco1 34a_100000755270_100000761209 [0,1,0,0,0,1|2,0,0]=4 2080 B12R1.54 [13CH3]C(=O)CNC(=O)c1ccco1 1458a_200000183647_200025704644 [0,1,0,0,0,1|1,0,1]=4 2081 B12R1.105 C=C(C)CNCc1ccc(o1)Br 34a_100000708654_100000748629 [0,1,0,0,0,1|2,0,0]=4 2082 B12R1.105 C=C(C)CNCc1ccc(o1)C 34a_100011194323_100000748629 [0,1,0,0,0,1|2,0,0]=4 2083 B12R1.105 C=C(C)COCc1cc(cs1)Br 34a_100000210245_100000746031 [0,1,0,0,0,1|1,1,0]=4 2084 B12R1.105 C=C(C)COCc1cc(cs1)Br 34a_100000238369_100000748629 [0,1,0,0,0,1|1,1,0]=4 2085 B12R1.105 C=C(C)COCc1cc(cs1)Br 7a_100000238369_100000748629 [0,1,0,0,0,1|1,1,0]=4 2086 B12R1.105 C=C(C)COCc1cc(cs1)C 34a_200000068372_100000748629 [0,1,0,0,0,1|1,1,0]=4 2087 B12R1.105 C=C(C)COCc1cc(cs1)C 7a_200000068372_100000748629 [0,1,0,0,0,1|1,1,0]=4 2088 B12R1.105 C=C(C)COCc1cc(no1)Br 34a_100009816691_100000748629 [0,1,0,0,0,1|2,0,0]=4 2089 B12R1.105 C=C(C)COCc1cc(no1)C 34a_100000210245_100000707947 [0,1,0,0,0,1|2,0,0]=4 2090 B12R1.105 C=C(C)COCc1cc(no1)C 34a_100000684692_100000748629 [0,1,0,0,0,1|2,0,0]=4 2091 B12R1.105 C=C(C)COCc1ccc(o1)Br 34a_100000246276_100000748629 [0,1,0,0,0,1|1,0,0]=3 2092 B12R1.105 C=C(C)COCc1ccc(o1)Br 7a_100000246276_100000748629 [0,1,0,0,0,1|1,0,0]=3 2093 B12R1.105 C=C(C)COCc1ccc(o1)C 34a_100011232665_100000748629 [0,1,0,0,0,1|1,0,0]=3 2094 B12R1.105 C=C(C)COCc1ccc(o1)C 7a_100011232665_100000748629 [0,1,0,0,0,1|1,0,0]=3 2095 B12R1.105 C=C(C)COCc1ccc(s1)Br 34a_100000210245_100000708592 [0,1,0,0,0,1|1,1,0]=4 2096 B12R1.105 C=C(C)COCc1ccc(s1)C 34a_100000238367_100000748629 [0,1,0,0,0,1|1,1,0]=4 2097 B12R1.105 C=C(C)COCc1ccc(s1)Cl 34a_100000210245_100000185097 [0,1,0,0,0,1|1,1,0]=4 2098 B12R1.105 C=C(F)COCc1ccc(o1)Br 34a_100000246276_100009893438 [0,1,0,0,0,1|1,0,1]=4 2099 B12R1.105 C=C(F)COCc1ccc(o1)Br 7a_100000246276_100000042424 [0,1,0,0,0,1|1,0,1]=4 2100 B12R1.105 C=C(F)COCc1ccc(o1)C 34a_100011232665_100009893438 [0,1,0,0,0,1|1,0,1]=4 2101 B12R1.105 C=C(F)COCc1ccc(o1)C 7a_100011232665_100000042424 [0,1,0,0,0,1|1,0,1]=4 2102 B12R1.105 CC(=O)CCSc1cc(cs1)C 62a_100000053229_100009876951 [0,1,0,0,0,1|1,1,0]=4 2103 B12R1.105 CC(=O)CCSc1cc(cs1)C 62a_100009876951_100000053229 [0,1,0,0,0,1|1,1,0]=4 2104 B12R1.105 CC(=O)CCSc1ccc(s1)Br 62a_100000053229_100010197418 [0,1,0,0,0,1|1,1,0]=4 2105 B12R1.105 CC(=O)CCSc1ccc(s1)Br 62a_100010197418_100000053229 [0,1,0,0,0,1|1,1,0]=4 2106 B12R1.105 CC(=O)CCSc1ccc(s1)C 62a_100000031368_100000053229 [0,1,0,0,0,1|1,1,0]=4 2107 B12R1.105 CC(=O)CCSc1ccc(s1)C 62a_100000053229_100000031368 [0,1,0,0,0,1|1,1,0]=4 2108 B12R1.105 CC(=O)COCC1=CC(=O)OC1 34a_100000211253_100000716558 [0,1,0,0,0,1|2,0,0]=4 2109 B12R1.105 CC(=O)COCc1cc(cs1)Br 34a_100000211253_100000746031 [0,1,0,0,0,1|0,1,0]=3 2110 B12R1.105 CC(=O)COCc1cc(no1)C 34a_100000211253_100000707947 [0,1,0,0,0,1|1,0,0]=3 2111 B12R1.105 CC(=O)COCc1cc(on1)C 34a_100000211253_100000199038 [0,1,0,0,0,1|2,0,0]=4 2112 B12R1.105 CC(=O)COCc1ccc(s1)Br 34a_100000211253_100000708592 [0,1,0,0,0,1|0,1,0]=3 2113 B12R1.105 CC(=O)COCc1ccc(s1)Cl 34a_100000211253_100000185097 [0,1,0,0,0,1|0,1,0]=3 2114 B12R1.105 CC(=O)COCc1ccn(n1)C 34a_100000211253_100000726502 [0,1,0,0,0,1|2,0,0]=4 2115 B12R1.105 CC(=O)COCc1cn(cn1)C 34a_100000211253_100000717665 [0,1,0,0,0,1|2,0,0]=4 2116 B12R1.105 CC(=O)COCc1cnc(s1)Br 34a_100000211253_100000717027 [0,1,0,0,0,1|1,1,0]=4 2117 B12R1.105 CC(=O)COCc1cnc(s1)C 34a_100000211253_100020635045 [0,1,0,0,0,1|1,1,0]=4 2118 B12R1.105 CC(=O)COCc1cnc(s1)Cl 34a_100000211253_100000058068 [0,1,0,0,0,1|1,1,0]=4 2119 B12R1.105 CC(=O)COCc1csc(n1)C 34a_100000211253_100015186478 [0,1,0,0,0,1|2,0,0]=4 2120 B12R1.105 CC(=O)COCc1csc(n1)Cl 34a_100000211253_100000024076 [0,1,0,0,0,1|2,0,0]=4 2121 B12R1.105 CC(=O)COCc1nc(no1)C 34a_100000211253_100000735555 [0,1,0,0,0,1|2,0,0]=4 2122 B12R1.105 CC(=O)CSCc1ccc(s1)Cl 1458a_100000150175_200000210301 [0,1,0,0,0,1|0,2,0]=4 2123 B12R1.105 CC(=O)NCCc1ccc(o1)C 11a_100000739271_100015343762 [0,1,0,0,0,1|1,0,0]=3 2124 B12R1.105 CC(=O)NCCc1ccc(o1)C 1626a_100000739271_100015343762 [0,1,0,0,0,1|1,0,0]=3 2125 B12R1.105 CC(=O)NCCc1ccc(o1)C 527a_100000739271_100103153847 [0,1,0,0,0,1|1,0,0]=3 2126 B12R1.105 CC(=O)NCCc1ccc(s1)Br 11a_100000217605_100015343762 [0,1,0,0,0,1|1,1,0]=4 2127 B12R1.105 CC(=O)NCCc1ccc(s1)Br 1626a_100000217605_100015343762 [0,1,0,0,0,1|1,1,0]=4 2128 B12R1.105 CC(=O)NCCc1ccc(s1)Br 240690a_100000217605_100015343762 [0,1,0,0,0,1|1,1,0]=4 2129 B12R1.105 CC(=O)NCCc1ccc(s1)Br 527a_100000217605_100103153847 [0,1,0,0,0,1|1,1,0]=4 2130 B12R1.105 CC(=O)NN=Cc1cc(co1)Br 4a_100000189765_100000747035 [0,1,0,0,0,1|1,0,1]=4 2131 B12R1.105 CC(=O)NN=Cc1ccc(o1)Br 4a_100000189765_100000185145 [0,1,0,0,0,1|1,0,1]=4 2132 B12R1.105 CC(=O)NN=Cc1ccc(o1)C 4a_100000189765_100000183696 [0,1,0,0,0,1|1,0,1]=4 2133 B12R1.105 CC(=O)NN=Cc1ccc(o1)Cl 4a_100000189765_100000188459 [0,1,0,0,0,1|1,0,1]=4 2134 B12R1.105 CC(=O)NN=Cc1ccc(o1)I 4a_100000189765_100000186757 [0,1,0,0,0,1|1,0,1]=4 2135 B12R1.105 CC(=O)OCOc1ccn(n1)C 34a_100012642153_100009813279 [0,1,0,0,0,1|2,0,0]=4 2136 B12R1.105 CC(=O)OCSc1c[nH]c(n1)C 62a_100000076356_100009814057 [0,1,0,0,0,1|2,0,0]=4 2137 B12R1.105 CC(=O)OCSc1c[nH]c(n1)C 62a_100009814057_100000076356 [0,1,0,0,0,1|2,0,0]=4 2138 B12R1.105 CC(=O)OCSc1cc([nH]n1)C 62a_100000076356_100009819999 [0,1,0,0,0,1|2,0,0]=4 2139 B12R1.105 CC(=O)OCSc1cc([nH]n1)C 62a_100009819999_100000076356 [0,1,0,0,0,1|2,0,0]=4 2140 B12R1.105 CC(=O)OCSc1cc([nH]n1)N 62a_100000076356_100009822546 [0,1,0,0,0,1|2,0,0]=4 2141 B12R1.105 CC(=O)OCSc1cc([nH]n1)N 62a_100009822546_100000076356 [0,1,0,0,0,1|2,0,0]=4 2142 B12R1.105 CC(=O)OCSc1cc(cs1)C 62a_100000076356_100009876951 [0,1,0,0,0,1|0,1,0]=3 2143 B12R1.105 CC(=O)OCSc1cc(cs1)C 62a_100009876951_100000076356 [0,1,0,0,0,1|0,1,0]=3 2144 B12R1.105 CC(=O)OCSc1cc(n[nH]1)Br 62a_100000076356_100160470719 [0,1,0,0,0,1|2,0,0]=4 2145 B12R1.105 CC(=O)OCSc1cc(n[nH]1)Br 62a_100160470719_100000076356 [0,1,0,0,0,1|2,0,0]=4 2146 B12R1.105 CC(=O)OCSc1cc(ns1)C 62a_100000076356_100009815735 [0,1,0,0,0,1|1,1,0]=4 2147 B12R1.105 CC(=O)OCSc1cc(ns1)C 62a_100009815735_100000076356 [0,1,0,0,0,1|1,1,0]=4 2148 B12R1.105 CC(=O)OCSc1cc(on1)C 62a_100000076356_100000716708 [0,1,0,0,0,1|2,0,0]=4 2149 B12R1.105 CC(=O)OCSc1cc(on1)C 62a_100000716708_100000076356 [0,1,0,0,0,1|2,0,0]=4 2150 B12R1.105 CC(=O)OCSc1ccc(s1)Br 62a_100000076356_100010197418 [0,1,0,0,0,1|0,1,0]=3 2151 B12R1.105 CC(=O)OCSc1ccc(s1)Br 62a_100010197418_100000076356 [0,1,0,0,0,1|0,1,0]=3 2152 B12R1.105 CC(=O)OCSc1ccc(s1)C 62a_100000031368_100000076356 [0,1,0,0,0,1|0,1,0]=3 2153 B12R1.105 CC(=O)OCSc1ccc(s1)C 62a_100000076356_100000031368 [0,1,0,0,0,1|0,1,0]=3 2154 B12R1.105 CC(=O)OCSc1ccn(n1)C 62a_100000076356_100000752436 [0,1,0,0,0,1|2,0,0]=4 2155 B12R1.105 CC(=O)OCSc1ccn(n1)C 62a_100000752436_100000076356 [0,1,0,0,0,1|2,0,0]=4 2156 B12R1.105 CC(=O)OCSc1cn(cn1)C 62a_100000040308_100000076356 [0,1,0,0,0,1|2,0,0]=4 2157 B12R1.105 CC(=O)OCSc1cn(cn1)C 62a_100000076356_100000040308 [0,1,0,0,0,1|2,0,0]=4 2158 B12R1.105 CC(=O)OCSc1cnc(s1)Br 62a_100000076356_100012357534 [0,1,0,0,0,1|1,1,0]=4 2159 B12R1.105 CC(=O)OCSc1cnc(s1)Br 62a_100012357534_100000076356 [0,1,0,0,0,1|1,1,0]=4 2160 B12R1.105 CC(=O)OCSc1cnc(s1)C 62a_100000076356_100000764884 [0,1,0,0,0,1|1,1,0]=4 2161 B12R1.105 CC(=O)OCSc1cnc(s1)C 62a_100000764884_100000076356 [0,1,0,0,0,1|1,1,0]=4 2162 B12R1.105 CC(=O)OCSc1cnc(s1)N 62a_100000076356_100000718969 [0,1,0,0,0,1|1,1,0]=4 2163 B12R1.105 CC(=O)OCSc1cnc(s1)N 62a_100000718969_100000076356 [0,1,0,0,0,1|1,1,0]=4 2164 B12R1.105 CC(=O)OCSc1csc(c1)C 62a_100000076356_100000759034 [0,1,0,0,0,1|2,0,0]=4 2165 B12R1.105 CC(=O)OCSc1csc(c1)C 62a_100000759034_100000076356 [0,1,0,0,0,1|2,0,0]=4 2166 B12R1.105 CC(=O)OCSc1csc(n1)C 62a_100000076356_100011934587 [0,1,0,0,0,1|2,0,0]=4 2167 B12R1.105 CC(=O)OCSc1csc(n1)C 62a_100011934587_100000076356 [0,1,0,0,0,1|2,0,0]=4 2168 B12R1.105 CC(=O)OCSc1csc(n1)N 62a_100000076356_100011998049 [0,1,0,0,0,1|2,0,0]=4 2169 B12R1.105 CC(=O)OCSc1csc(n1)N 62a_100011998049_100000076356 [0,1,0,0,0,1|2,0,0]=4 2170 B12R1.105 CC(=O)OCSc1nc(c[nH]1)C 62a_100000076356_100161115468 [0,1,0,0,0,1|2,0,0]=4 2171 B12R1.105 CC(=O)OCSc1nc(c[nH]1)C 62a_100161115468_100000076356 [0,1,0,0,0,1|2,0,0]=4 2172 B12R1.105 CC(=O)OCSc1nc(cs1)Br 62a_100000076356_200016082925 [0,1,0,0,0,1|1,1,0]=4 2173 B12R1.105 CC(=O)OCSc1nc(cs1)Br 62a_200016082925_100000076356 [0,1,0,0,0,1|1,1,0]=4 2174 B12R1.105 CC(=O)OCSc1nc(cs1)C 62a_100000076356_100011291629 [0,1,0,0,0,1|1,1,0]=4 2175 B12R1.105 CC(=O)OCSc1nc(cs1)C 62a_100011291629_100000076356 [0,1,0,0,0,1|1,1,0]=4 2176 B12R1.105 CC(=O)OCSc1nc(cs1)N 62a_100000076356_200015188442 [0,1,0,0,0,1|1,1,0]=4 2177 B12R1.105 CC(=O)OCSc1nc(cs1)N 62a_200015188442_100000076356 [0,1,0,0,0,1|1,1,0]=4 2178 B12R1.105 CC(=O)OCSc1ncc(s1)C 62a_100000076356_100000690809 [0,1,0,0,0,1|1,1,0]=4 2179 B12R1.105 CC(=O)OCSc1ncc(s1)C 62a_100000690809_100000076356 [0,1,0,0,0,1|1,1,0]=4 2180 B12R1.105 CC(=O)OCSc1nnc(o1)C 62a_100000076356_100000708914 [0,1,0,0,0,1|2,0,0]=4 2181 B12R1.105 CC(C)COCc1ccc(o1)Br 34a_100000246276_100000210624 [0,1,0,0,0,1|1,0,1]=4 2182 B12R1.105 CC(C)COCc1ccc(o1)Br 7a_100000246276_100000210760 [0,1,0,0,0,1|1,0,1]=4 2183 B12R1.105 CC(O)COCc1ccc(o1)Br 34a_100000246276_100011218427 [0,1,0,0,0,1|0,0,2]=4 2184 B12R1.105 CC(O)COCc1ccc(o1)Br 7a_100000246276_100011218427 [0,1,0,0,0,1|0,0,2]=4 2185 B12R1.105 C[C@@H](O)COCc1ccc(o1)Br 34a_100000246276_100009817552 [0,1,0,0,0,1|0,0,2]=4 2186 B12R1.105 C[C@@H](O)COCc1ccc(o1)Br 7a_100000246276_100009817552 [0,1,0,0,0,1|0,0,2]=4 2187 B12R1.105 Cc1cc(on1)COCC(=O)N 34a_100000684692_100000187820 [0,1,0,0,0,1|2,0,0]=4 2188 B12R1.105 Cc1cc(on1)COCC(=O)[O-] 34a_100000684692_100020667443 [0,1,0,0,0,1|2,0,0]=4 2189 B12R1.105 Cc1ccc(o1)CCOC(C)C 34a_100012161071_100000210206 [0,1,0,0,0,1|1,0,1]=4 2190 B12R1.105 Cc1ccc(o1)CCOC(C)C 7a_100012161071_100000210206 [0,1,0,0,0,1|1,0,1]=4 2191 B12R1.105 Cc1ccc(o1)CNCC(=O)N 34a_100011194323_100000187820 [0,1,0,0,0,1|2,0,0]=4 2192 B12R1.105 Cc1ccc(o1)CNCC(=O)[O-] 34a_100011194323_100020667443 [0,1,0,0,0,1|2,0,0]=4 2193 B12R1.105 Cc1ccc(o1)COCC(=O)N 34a_100011232665_100000187820 [0,1,0,0,0,1|1,0,0]=3 2194 B12R1.105 Cc1ccc(o1)COCC(=O)N 7a_100011232665_100000187820 [0,1,0,0,0,1|1,0,0]=3 2195 B12R1.105 Cc1ccc(o1)COCC(=O)[O-] 34a_100011232665_100020667443 [0,1,0,0,0,1|1,0,0]=3 2196 B12R1.105 Cc1ccc(o1)COCC(C)C 34a_100011232665_100000210624 [0,1,0,0,0,1|1,0,1]=4 2197 B12R1.105 Cc1ccc(o1)COCC(C)C 7a_100011232665_100000210760 [0,1,0,0,0,1|1,0,1]=4 2198 B12R1.105 Cc1ccc(o1)COCC(C)O 34a_100011232665_100011218427 [0,1,0,0,0,1|0,0,2]=4 2199 B12R1.105 Cc1ccc(o1)COCC(C)O 7a_100011232665_100011218427 [0,1,0,0,0,1|0,0,2]=4 2200 B12R1.105 Cc1ccc(o1)COC[C@@H](C)O 34a_100011232665_100009817552 [0,1,0,0,0,1|0,0,2]=4 2201 B12R1.105 Cc1ccc(o1)COC[C@@H](C)O 7a_100011232665_100009817552 [0,1,0,0,0,1|0,0,2]=4 2202 B12R1.105 Cc1ccc(o1)COC[N+](=O)[O-] 34a_100011232665_100000761209 [0,1,0,0,0,1|2,0,0]=4 2203 B12R1.105 Cc1ccc(s1)COCC(=O)N 34a_100000238367_100000187820 [0,1,0,0,0,1|1,1,0]=4 2204 B12R1.105 Cc1ccc(s1)COCC(=O)[O-] 34a_100000238367_100020667443 [0,1,0,0,0,1|1,1,0]=4 2205 B12R1.105 Cc1csc(c1)COCC(=O)N 34a_200000068372_100000187820 [0,1,0,0,0,1|1,1,0]=4 2206 B12R1.105 Cc1csc(c1)COCC(=O)N 7a_200000068372_100000187820 [0,1,0,0,0,1|1,1,0]=4 2207 B12R1.105 Cc1csc(c1)COCC(=O)[O-] 34a_200000068372_100020667443 [0,1,0,0,0,1|1,1,0]=4 2208 B12R1.105 NC(=O)CNCc1ccc(o1)Br 34a_100000708654_100000187820 [0,1,0,0,0,1|2,0,0]=4 2209 B12R1.105 NC(=O)COCc1cc(cs1)Br 34a_100000238369_100000187820 [0,1,0,0,0,1|1,1,0]=4 2210 B12R1.105 NC(=O)COCc1cc(cs1)Br 7a_100000238369_100000187820 [0,1,0,0,0,1|1,1,0]=4 2211 B12R1.105 NC(=O)COCc1cc(no1)Br 34a_100009816691_100000187820 [0,1,0,0,0,1|2,0,0]=4 2212 B12R1.105 NC(=O)COCc1ccc(o1)Br 34a_100000246276_100000187820 [0,1,0,0,0,1|1,0,0]=3 2213 B12R1.105 NC(=O)COCc1ccc(o1)Br 7a_100000246276_100000187820 [0,1,0,0,0,1|1,0,0]=3 2214 B12R1.105 O=C([O-])CNCc1ccc(o1)Br 34a_100000708654_100020667443 [0,1,0,0,0,1|2,0,0]=4 2215 B12R1.105 O=C([O-])COCc1cc(cs1)Br 34a_100000238369_100020667443 [0,1,0,0,0,1|1,1,0]=4 2216 B12R1.105 O=C([O-])COCc1cc(no1)Br 34a_100009816691_100020667443 [0,1,0,0,0,1|2,0,0]=4 2217 B12R1.105 O=C([O-])COCc1ccc(o1)Br 34a_100000246276_100020667443 [0,1,0,0,0,1|1,0,0]=3 2218 B12R1.105 O=[N+]([O-])COCc1ccc(o1)Br 34a_100000246276_100000761209 [0,1,0,0,0,1|2,0,0]=4 2219 B12R1.105 [13CH3]C(=O)CSCc1ccc(s1)Cl 1458a_100000150175_200025704644 [0,1,0,0,0,1|0,2,0]=4 2220 B12R1.130 C=C(C)COCc1occc1C 34a_100011273948_100000748629 [0,1,0,0,0,1|1,0,0]=3 2221 B12R1.130 C=C(C)COCc1occc1C 7a_100011273948_100000748629 [0,1,0,0,0,1|1,0,0]=3 2222 B12R1.130 C=C(C)COCc1ocnc1C 34a_100000717716_100000748629 [0,1,0,0,0,1|2,0,0]=4 2223 B12R1.130 C=C(C)COCc1ocnc1C 7a_100000717716_100000748629 [0,1,0,0,0,1|2,0,0]=4 2224 B12R1.130 C=C(C)COCc1oncc1C 34a_200011065769_100000748629 [0,1,0,0,0,1|2,0,0]=4 2225 B12R1.130 C=C(C)COCc1sccc1Br 34a_100000702026_100000748629 [0,1,0,0,0,1|1,1,0]=4 2226 B12R1.130 C=C(C)COCc1sccc1C 34a_100000238368_100000748629 [0,1,0,0,0,1|1,1,0]=4 2227 B12R1.130 C=C(C)COCc1sccc1C 7a_100000238368_100000748629 [0,1,0,0,0,1|1,1,0]=4 2228 B12R1.130 C=C(C)COCc1sccc1Cl 34a_100000722387_100000748629 [0,1,0,0,0,1|1,1,0]=4 2229 B12R1.130 C=C(C)COCc1sccc1Cl 7a_100000722387_100000748629 [0,1,0,0,0,1|1,1,0]=4 2230 B12R1.130 C=C(F)COCc1occc1C 34a_100011273948_100009893438 [0,1,0,0,0,1|1,0,1]=4 2231 B12R1.130 C=C(F)COCc1occc1C 7a_100011273948_100000042424 [0,1,0,0,0,1|1,0,1]=4 2232 B12R1.130 CC(=O)CCSc1sccc1Br 62a_100000053229_100012361411 [0,1,0,0,0,1|1,1,0]=4 2233 B12R1.130 CC(=O)CCSc1sccc1Br 62a_100012361411_100000053229 [0,1,0,0,0,1|1,1,0]=4 2234 B12R1.130 CC(=O)CCSc1sccc1C 62a_100000053229_100010247149 [0,1,0,0,0,1|1,1,0]=4 2235 B12R1.130 CC(=O)CCSc1sccc1C 62a_100010247149_100000053229 [0,1,0,0,0,1|1,1,0]=4 2236 B12R1.130 CC(=O)COCc1ccnn1C 34a_100000211253_100000691648 [0,1,0,0,0,1|2,0,0]=4 2237 B12R1.130 CC(=O)COCc1ccsc1Br 34a_100000211253_100009814289 [0,1,0,0,0,1|2,0,0]=4 2238 B12R1.130 CC(=O)COCc1ccsc1Cl 34a_100000211253_100010167017 [0,1,0,0,0,1|2,0,0]=4 2239 B12R1.130 CC(=O)COCc1nccn1C 34a_100000211253_100000700302 [0,1,0,0,0,1|2,0,0]=4 2240 B12R1.130 CC(=O)COCc1ncoc1C 34a_100000211253_200000693990 [0,1,0,0,0,1|2,0,0]=4 2241 B12R1.130 CC(=O)NCCc1cccn1C 11a_100011251756_100015343762 [0,1,0,0,0,1|2,0,0]=4 2242 B12R1.130 CC(=O)NCCc1cccn1C 1626a_100011251756_100015343762 [0,1,0,0,0,1|2,0,0]=4 2243 B12R1.130 CC(=O)NCCc1cccn1C 240690a_100011251756_100015343762 [0,1,0,0,0,1|2,0,0]=4 2244 B12R1.130 CC(=O)NCCc1cccn1C 527a_100011251756_100103153847 [0,1,0,0,0,1|2,0,0]=4 2245 B12R1.130 CC(=O)NN=Cc1occc1Br 4a_100000189765_100000756499 [0,1,0,0,0,1|1,0,1]=4 2246 B12R1.130 CC(=O)NN=Cc1occc1C 4a_100000189765_100000763527 [0,1,0,0,0,1|1,0,1]=4 2247 B12R1.130 CC(=O)OCOc1ccnn1C 34a_100020632926_100009813279 [0,1,0,0,0,1|2,0,0]=4 2248 B12R1.130 CC(=O)OCSc1[nH]cnc1Cl 62a_100000076356_100010200774 [0,1,0,0,0,1|2,0,0]=4 2249 B12R1.130 CC(=O)OCSc1[nH]cnc1Cl 62a_100010200774_100000076356 [0,1,0,0,0,1|2,0,0]=4 2250 B12R1.130 CC(=O)OCSc1ccnn1C 62a_100000076356_100000688441 [0,1,0,0,0,1|2,0,0]=4 2251 B12R1.130 CC(=O)OCSc1ccnn1C 62a_100000688441_100000076356 [0,1,0,0,0,1|2,0,0]=4 2252 B12R1.130 CC(=O)OCSc1ccsc1C 62a_100000076356_100000684487 [0,1,0,0,0,1|2,0,0]=4 2253 B12R1.130 CC(=O)OCSc1ccsc1C 62a_100000684487_100000076356 [0,1,0,0,0,1|2,0,0]=4 2254 B12R1.130 CC(=O)OCSc1cncn1C 62a_100000076356_100009814087 [0,1,0,0,0,1|2,0,0]=4 2255 B12R1.130 CC(=O)OCSc1cncn1C 62a_100009814087_100000076356 [0,1,0,0,0,1|2,0,0]=4 2256 B12R1.130 CC(=O)OCSc1cscc1Br 62a_100000076356_100010143727 [0,1,0,0,0,1|2,0,0]=4 2257 B12R1.130 CC(=O)OCSc1cscc1Br 62a_100010143727_100000076356 [0,1,0,0,0,1|2,0,0]=4 2258 B12R1.130 CC(=O)OCSc1cscc1C 62a_100000076356_100000759966 [0,1,0,0,0,1|2,0,0]=4 2259 B12R1.130 CC(=O)OCSc1cscc1C 62a_100000759966_100000076356 [0,1,0,0,0,1|2,0,0]=4 2260 B12R1.130 CC(=O)OCSc1n[nH]cc1Br 62a_100000076356_100015839836 [0,1,0,0,0,1|2,0,0]=4 2261 B12R1.130 CC(=O)OCSc1n[nH]cc1Br 62a_100015839836_100000076356 [0,1,0,0,0,1|2,0,0]=4 2262 B12R1.130 CC(=O)OCSc1n[nH]cc1C 62a_100000076356_100009871783 [0,1,0,0,0,1|2,0,0]=4 2263 B12R1.130 CC(=O)OCSc1n[nH]cc1C 62a_100009871783_100000076356 [0,1,0,0,0,1|2,0,0]=4 2264 B12R1.130 CC(=O)OCSc1n[nH]cc1N 62a_100000076356_100010894806 [0,1,0,0,0,1|2,0,0]=4 2265 B12R1.130 CC(=O)OCSc1n[nH]cc1N 62a_100010894806_100000076356 [0,1,0,0,0,1|2,0,0]=4 2266 B12R1.130 CC(=O)OCSc1nc[nH]c1C 62a_100000076356_100010186451 [0,1,0,0,0,1|2,0,0]=4 2267 B12R1.130 CC(=O)OCSc1nc[nH]c1C 62a_100010186451_100000076356 [0,1,0,0,0,1|2,0,0]=4 2268 B12R1.130 CC(=O)OCSc1nccn1C 62a_100000076356_100000707724 [0,1,0,0,0,1|2,0,0]=4 2269 B12R1.130 CC(=O)OCSc1nccn1C 62a_100000707724_100000076356 [0,1,0,0,0,1|2,0,0]=4 2270 B12R1.130 CC(=O)OCSc1ncsc1C 62a_100000076356_100000732656 [0,1,0,0,0,1|2,0,0]=4 2271 B12R1.130 CC(=O)OCSc1ncsc1C 62a_100000732656_100000076356 [0,1,0,0,0,1|2,0,0]=4 2272 B12R1.130 CC(=O)OCSc1sccc1Br 62a_100000076356_100012361411 [0,1,0,0,0,1|0,1,0]=3 2273 B12R1.130 CC(=O)OCSc1sccc1Br 62a_100012361411_100000076356 [0,1,0,0,0,1|0,1,0]=3 2274 B12R1.130 CC(=O)OCSc1sccc1C 62a_100000076356_100010247149 [0,1,0,0,0,1|0,1,0]=3 2275 B12R1.130 CC(=O)OCSc1sccc1C 62a_100010247149_100000076356 [0,1,0,0,0,1|0,1,0]=3 2276 B12R1.130 CC(=O)OCSc1scnc1C 62a_100000076356_100009817116 [0,1,0,0,0,1|1,1,0]=4 2277 B12R1.130 CC(=O)OCSc1scnc1C 62a_100009817116_100000076356 [0,1,0,0,0,1|1,1,0]=4 2278 B12R1.130 Cc1ccoc1COCC(=O)N 34a_100011273948_100000187820 [0,1,0,0,0,1|1,0,0]=3 2279 B12R1.130 Cc1ccoc1COCC(=O)N 7a_100011273948_100000187820 [0,1,0,0,0,1|1,0,0]=3 2280 B12R1.130 Cc1ccoc1COCC(=O)[O-] 34a_100011273948_100020667443 [0,1,0,0,0,1|1,0,0]=3 2281 B12R1.130 Cc1ccoc1COCC(C)C 34a_100011273948_100000210624 [0,1,0,0,0,1|1,0,1]=4 2282 B12R1.130 Cc1ccoc1COCC(C)C 7a_100011273948_100000210760 [0,1,0,0,0,1|1,0,1]=4 2283 B12R1.130 Cc1ccoc1COCC(C)O 34a_100011273948_100011218427 [0,1,0,0,0,1|0,0,2]=4 2284 B12R1.130 Cc1ccoc1COCC(C)O 7a_100011273948_100011218427 [0,1,0,0,0,1|0,0,2]=4 2285 B12R1.130 Cc1ccoc1COC[C@@H](C)O 34a_100011273948_100009817552 [0,1,0,0,0,1|0,0,2]=4 2286 B12R1.130 Cc1ccoc1COC[C@@H](C)O 7a_100011273948_100009817552 [0,1,0,0,0,1|0,0,2]=4 2287 B12R1.130 Cc1ccoc1COC[N+](=O)[O-] 34a_100011273948_100000761209 [0,1,0,0,0,1|2,0,0]=4 2288 B12R1.130 Cc1ccsc1COCC(=O)N 34a_100000238368_100000187820 [0,1,0,0,0,1|1,1,0]=4 2289 B12R1.130 Cc1ccsc1COCC(=O)N 7a_100000238368_100000187820 [0,1,0,0,0,1|1,1,0]=4 2290 B12R1.130 Cc1ccsc1COCC(=O)[O-] 34a_100000238368_100020667443 [0,1,0,0,0,1|1,1,0]=4 2291 B12R1.130 Cc1cnoc1COCC(=O)N 34a_200011065769_100000187820 [0,1,0,0,0,1|2,0,0]=4 2292 B12R1.130 Cc1cnoc1COCC(=O)[O-] 34a_200011065769_100020667443 [0,1,0,0,0,1|2,0,0]=4 2293 B12R1.130 Cc1ncoc1COCC(=O)N 34a_100000717716_100000187820 [0,1,0,0,0,1|2,0,0]=4 2294 B12R1.130 Cc1ncoc1COCC(=O)N 7a_100000717716_100000187820 [0,1,0,0,0,1|2,0,0]=4 2295 B12R1.130 Cc1ncoc1COCC(=O)[O-] 34a_100000717716_100020667443 [0,1,0,0,0,1|2,0,0]=4 2296 B12R1.130 NC(=O)COCc1sccc1Br 34a_100000702026_100000187820 [0,1,0,0,0,1|1,1,0]=4 2297 B12R1.130 NC(=O)COCc1sccc1Cl 34a_100000722387_100000187820 [0,1,0,0,0,1|1,1,0]=4 2298 B12R1.130 NC(=O)COCc1sccc1Cl 7a_100000722387_100000187820 [0,1,0,0,0,1|1,1,0]=4 2299 B12R1.130 O=C([O-])COCc1sccc1Br 34a_100000702026_100020667443 [0,1,0,0,0,1|1,1,0]=4 2300 B12R1.130 O=C([O-])COCc1sccc1Cl 34a_100000722387_100020667443 [0,1,0,0,0,1|1,1,0]=4 2301 B12R1.260 C=C(C)CC(=O)Cc1ccco1 1458a_100011217309_100000748629 [0,1,0,0,0,1|2,0,0]=4 2302 B12R1.260 C=C(C)CN(C)Cc1ccco1 2230a_100000185268_100000748629 [0,1,0,0,0,1|2,0,0]=4 2303 B12R1.260 C=C(C)CN(C)Cc1ccco1 269982a_100000185268_100000748629 [0,1,0,0,0,1|2,0,0]=4 2304 B12R1.260 C=C(C)CN(C)Cc1ccco1 270004a_100000225649_100000186105 [0,1,0,0,0,1|2,0,0]=4 2305 B12R1.260 CC(=O)NC(C)Cc1cccs1 11a_100000751415_100015343762 [0,1,0,0,0,1|1,1,0]=4 2306 B12R1.260 CC(=O)NC(C)Cc1cccs1 1626a_100000751415_100015343762 [0,1,0,0,0,1|1,1,0]=4 2307 B12R1.260 CC(=O)NC(C)Cc1cccs1 240690a_100000751415_100015343762 [0,1,0,0,0,1|1,1,0]=4 2308 B12R1.260 CC(=O)NC(C)Cc1cccs1 527a_100000751415_100103153847 [0,1,0,0,0,1|1,1,0]=4 2309 B12R1.260 CC(=O)OC(C)Sc1c[nH]cn1 62a_100000756875_100009818208 [0,1,0,0,0,1|2,0,0]=4 2310 B12R1.260 CC(=O)OC(C)Sc1c[nH]cn1 62a_100009818208_100000756875 [0,1,0,0,0,1|2,0,0]=4 2311 B12R1.260 CC(=O)OC(C)Sc1cc[nH]n1 62a_100000062575_100009818208 [0,1,0,0,0,1|2,0,0]=4 2312 B12R1.260 CC(=O)OC(C)Sc1cc[nH]n1 62a_100009818208_100000062575 [0,1,0,0,0,1|2,0,0]=4 2313 B12R1.260 CC(=O)OC(C)Sc1ccco1 62a_100009814098_100009818208 [0,1,0,0,0,1|0,0,0]=2 2314 B12R1.260 CC(=O)OC(C)Sc1ccco1 62a_100009818208_100009814098 [0,1,0,0,0,1|0,0,0]=2 2315 B12R1.260 CC(=O)OC(C)Sc1cccs1 62a_100009818208_100011215356 [0,1,0,0,0,1|0,1,0]=3 2316 B12R1.260 CC(=O)OC(C)Sc1cccs1 62a_100011215356_100009818208 [0,1,0,0,0,1|0,1,0]=3 2317 B12R1.260 CC(=O)OC(C)Sc1ccoc1 62a_100009818208_100011215275 [0,1,0,0,0,1|2,0,0]=4 2318 B12R1.260 CC(=O)OC(C)Sc1ccoc1 62a_100011215275_100009818208 [0,1,0,0,0,1|2,0,0]=4 2319 B12R1.260 CC(=O)OC(C)Sc1ccon1 62a_100009818083_100009818208 [0,1,0,0,0,1|2,0,0]=4 2320 B12R1.260 CC(=O)OC(C)Sc1ccon1 62a_100009818208_100009818083 [0,1,0,0,0,1|2,0,0]=4 2321 B12R1.260 CC(=O)OC(C)Sc1ccsc1 62a_100000738268_100009818208 [0,1,0,0,0,1|2,0,0]=4 2322 B12R1.260 CC(=O)OC(C)Sc1ccsc1 62a_100009818208_100000738268 [0,1,0,0,0,1|2,0,0]=4 2323 B12R1.260 CC(=O)OC(C)Sc1ccsn1 62a_100009818082_100009818208 [0,1,0,0,0,1|2,0,0]=4 2324 B12R1.260 CC(=O)OC(C)Sc1ccsn1 62a_100009818208_100009818082 [0,1,0,0,0,1|2,0,0]=4 2325 B12R1.260 CC(=O)OC(C)Sc1cnco1 62a_100009818208_100020591547 [0,1,0,0,0,1|1,0,0]=3 2326 B12R1.260 CC(=O)OC(C)Sc1cnco1 62a_100020591547_100009818208 [0,1,0,0,0,1|1,0,0]=3 2327 B12R1.260 CC(=O)OC(C)Sc1cncs1 62a_100009818208_100011934649 [0,1,0,0,0,1|1,1,0]=4 2328 B12R1.260 CC(=O)OC(C)Sc1cncs1 62a_100011934649_100009818208 [0,1,0,0,0,1|1,1,0]=4 2329 B12R1.260 CC(=O)OC(C)Sc1cscn1 62a_100000751502_100009818208 [0,1,0,0,0,1|2,0,0]=4 2330 B12R1.260 CC(=O)OC(C)Sc1cscn1 62a_100009818208_100000751502 [0,1,0,0,0,1|2,0,0]=4 2331 B12R1.260 CC(=O)OC(C)Sc1ncc[nH]1 62a_100009818208_100025796157 [0,1,0,0,0,1|2,0,0]=4 2332 B12R1.260 CC(=O)OC(C)Sc1ncc[nH]1 62a_100025796157_100009818208 [0,1,0,0,0,1|2,0,0]=4 2333 B12R1.260 CC(=O)OC(C)Sc1ncco1 62a_100009818208_100011787736 [0,1,0,0,0,1|1,0,0]=3 2334 B12R1.260 CC(=O)OC(C)Sc1ncco1 62a_100011787736_100009818208 [0,1,0,0,0,1|1,0,0]=3 2335 B12R1.260 CC(=O)OC(C)Sc1nccs1 62a_100000211983_100009818208 [0,1,0,0,0,1|1,1,0]=4 2336 B12R1.260 CC(=O)OC(C)Sc1nccs1 62a_100009818208_100000211983 [0,1,0,0,0,1|1,1,0]=4 2337 B12R1.260 CC(C)OC(C)Cc1ccco1 34a_100011803939_100000210206 [0,1,0,0,0,1|1,0,1]=4 2338 B12R1.260 CC(C)OC(C)Cc1ccco1 7a_100011803939_100000210206 [0,1,0,0,0,1|1,0,1]=4 2339 B12R1.260 CN(CC(=O)N)Cc1ccco1 2230a_100000185268_100000747473 [0,1,0,0,0,1|2,0,0]=4 2340 B12R1.260 CN(CC(=O)N)Cc1ccco1 269982a_100000185268_100000187820 [0,1,0,0,0,1|2,0,0]=4 2341 B12R1.260 CN(CC(=O)N)Cc1ccco1 270004a_100000739694_100000186105 [0,1,0,0,0,1|2,0,0]=4 2342 B12R1.260 CN(CC(=O)[O-])Cc1ccco1 269982a_100000185268_100020667443 [0,1,0,0,0,1|2,0,0]=4 2343 B12R1.260 NC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000187820 [0,1,0,0,0,1|2,0,0]=4 2344 B12R1.260 O=C([O-])CC(=O)Cc1ccco1 1458a_100011217309_100020667443 [0,1,0,0,0,1|2,0,0]=4 2345 B12R1.264 C=C(C)C(=O)NCc1ccco1 11a_100000185738_100000185857 [0,1,0,0,0,1|2,0,0]=4 2346 B12R1.264 C=C(C)C(=O)NCc1ccco1 1626a_100000185738_100000185857 [0,1,0,0,0,1|2,0,0]=4 2347 B12R1.264 CC(=O)C(=O)CSc1ccco1 62a_100009814098_100011261029 [0,1,0,0,0,1|1,0,0]=3 2348 B12R1.264 CC(=O)C(=O)CSc1ccco1 62a_100011261029_100009814098 [0,1,0,0,0,1|1,0,0]=3 2349 B12R1.264 CC(=O)C(=O)CSc1cccs1 62a_100011215356_100011261029 [0,1,0,0,0,1|1,1,0]=4 2350 B12R1.264 CC(=O)C(=O)CSc1cccs1 62a_100011261029_100011215356 [0,1,0,0,0,1|1,1,0]=4 2351 B12R1.264 CC(=O)C(=O)CSc1cnco1 62a_100011261029_100020591547 [0,1,0,0,0,1|2,0,0]=4 2352 B12R1.264 CC(=O)C(=O)CSc1cnco1 62a_100020591547_100011261029 [0,1,0,0,0,1|2,0,0]=4 2353 B12R1.264 CC(=O)C(=O)CSc1ncco1 62a_100011261029_100011787736 [0,1,0,0,0,1|2,0,0]=4 2354 B12R1.264 CC(=O)C(=O)CSc1ncco1 62a_100011787736_100011261029 [0,1,0,0,0,1|2,0,0]=4 2355 B12R1.264 CC(=O)C(C)NCc1ccco1 2230a_100000185738_100009814033 [0,1,0,0,0,1|1,0,0]=3 2356 B12R1.264 CC(=O)C(C)NCc1cccs1 2230a_100000211653_100009814033 [0,1,0,0,0,1|1,1,0]=4 2357 B12R1.264 CC(=O)C(C)NCc1ncco1 2230a_100016994969_100009814033 [0,1,0,0,0,1|2,0,0]=4 2358 B12R1.264 CC(=O)C(C)OCc1c[nH]cn1 34a_100000212229_100000707719 [0,1,0,0,0,1|2,0,0]=4 2359 B12R1.264 CC(=O)C(C)OCc1ccn[nH]1 34a_100000212229_100000728653 [0,1,0,0,0,1|2,0,0]=4 2360 B12R1.264 CC(=O)C(C)OCc1ccon1 34a_100000212229_100000234950 [0,1,0,0,0,1|2,0,0]=4 2361 B12R1.264 CC(=O)C(C)OCc1ccsc1 34a_100000212229_100011261437 [0,1,0,0,0,1|2,0,0]=4 2362 B12R1.264 CC(=O)C(C)OCc1cncs1 34a_100000212229_100015185245 [0,1,0,0,0,1|1,1,0]=4 2363 B12R1.264 CC(=O)C(C)OCc1cscn1 34a_100000212229_100000205941 [0,1,0,0,0,1|2,0,0]=4 2364 B12R1.264 CC(=O)C(C)OCc1ncc[nH]1 34a_100000212229_100016991755 [0,1,0,0,0,1|2,0,0]=4 2365 B12R1.264 CC(=O)C(C)OCc1ncco1 34a_100000212229_103436540062 [0,1,0,0,0,1|1,0,0]=3 2366 B12R1.264 CC(=O)C(C)OCc1nccs1 34a_100000212229_100015184050 [0,1,0,0,0,1|1,1,0]=4 2367 B12R1.264 CC(=O)C(C)SCc1ncco1 62a_100009814033_103436540062 [0,1,0,0,0,1|1,1,0]=4 2368 B12R1.264 CC(=O)C(C)SCc1ncco1 62a_103436540062_100009814033 [0,1,0,0,0,1|1,1,0]=4 2369 B12R1.264 CC(NCc1ccco1)C(=O)N 2230a_100000185738_100000702099 [0,1,0,0,0,1|2,0,0]=4 2370 B12R1.264 CC(NCc1ccco1)C(=O)N 34a_100000185738_100000702099 [0,1,0,0,0,1|2,0,0]=4 2371 B12R1.264 CC(OCc1ccco1)C(=O)N 34a_100000210059_100000702099 [0,1,0,0,0,1|1,0,0]=3 2372 B12R1.264 CC(OCc1cccs1)C(=O)N 34a_100000211240_100000702099 [0,1,0,0,0,1|1,1,0]=4 2373 B12R1.264 CC(OCc1ccno1)C(=O)N 34a_100000740478_100000702099 [0,1,0,0,0,1|2,0,0]=4 2374 B12R1.264 CC(OCc1ncco1)C(=O)N 34a_100000062594_100000702099 [0,1,0,0,0,1|2,0,0]=4 2375 B12R1.264 C[C@@H](NCc1ccco1)C(=O)N 270004a_100000119354_100000186105 [0,1,0,0,0,1|2,0,0]=4 2376 B12R1.264 C[C@@H](OCc1ncco1)C(=O)N 34a_100000731257_103436540062 [0,1,0,0,0,1|2,0,0]=4 2377 B12R1.264 C[C@@H](OCc1ncco1)C(=O)N 7a_100000731257_103436540062 [0,1,0,0,0,1|2,0,0]=4 2378 B12R1.264 C[C@H](OCc1ncco1)C(=O)[O-] 7a_217856618621_103436540062 [0,1,0,0,0,1|2,0,0]=4 2379 B12R1.264 NC(=O)C(=O)NCc1ccco1 240690a_100000185738_100011215815 [0,1,0,0,0,1|2,0,0]=4 2380 B12R1.264 NC(=O)C(F)NCc1ccco1 2230a_100000185738_100009813875 [0,1,0,0,0,1|2,0,0]=4 2381 B12R1.264 NC(=O)C(F)NCc1ccco1 34a_100000185738_100009813875 [0,1,0,0,0,1|2,0,0]=4 2382 B12R1.264 NC(=O)C(F)OCc1ccco1 34a_100000210059_100009813875 [0,1,0,0,0,1|1,0,0]=3 2383 B12R1.264 NC(=O)C(F)OCc1cccs1 34a_100000211240_100009813875 [0,1,0,0,0,1|1,1,0]=4 2384 B12R1.264 NC(=O)C(F)OCc1ccno1 34a_100000740478_100009813875 [0,1,0,0,0,1|2,0,0]=4 2385 B12R1.264 NC(=O)C(F)OCc1ncco1 34a_100000062594_100009813875 [0,1,0,0,0,1|2,0,0]=4 2386 B12R1.264 O=C([O-])C(F)NCc1ccco1 34a_100000185738_100020610796 [0,1,0,0,0,1|2,0,0]=4 2387 B12R1.264 O=C([O-])C(F)OCc1ccco1 34a_100000210059_100020610796 [0,1,0,0,0,1|1,0,0]=3 2388 B12R1.264 O=C([O-])C(F)OCc1cccs1 34a_100000211240_100020610796 [0,1,0,0,0,1|1,1,0]=4 2389 B12R1.264 O=C([O-])C(F)OCc1ccno1 34a_100000740478_100020610796 [0,1,0,0,0,1|2,0,0]=4 2390 B12R1.264 O=C([O-])C(F)OCc1ncco1 34a_100000062594_100020610796 [0,1,0,0,0,1|2,0,0]=4 2391 B12R1.477 C=C(C#N)COCc1ccco1 34a_100000210059_100000694840 [0,1,0,0,0,1|1,0,1]=4 2392 B12R1.477 C=CC(=O)NCCc1ccco1 1626a_100000694680_100000185746 [0,1,0,0,0,1|1,0,1]=4 2393 B12R1.477 C=CC(=O)NCCc1ccco1 240690a_100000694680_200121576911 [0,1,0,0,0,1|1,0,1]=4 2394 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000184482_100000210202 [0,1,0,0,0,1|1,1,0]=4 2395 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000210414_100010992444 [0,1,0,0,0,1|1,1,0]=4 2396 B12R1.477 CCC(=O)COCc1c[nH]cn1 34a_100000725409_100000707719 [0,1,0,0,0,1|2,0,0]=4 2397 B12R1.477 CCC(=O)COCc1ccn[nH]1 34a_100000725409_100000728653 [0,1,0,0,0,1|2,0,0]=4 2398 B12R1.477 CCC(=O)COCc1ccon1 34a_100000725409_100000234950 [0,1,0,0,0,1|2,0,0]=4 2399 B12R1.477 CCC(=O)COCc1ccsc1 34a_100000725409_100011261437 [0,1,0,0,0,1|2,0,0]=4 2400 B12R1.477 CCC(=O)COCc1cncs1 34a_100000725409_100015185245 [0,1,0,0,0,1|1,1,0]=4 2401 B12R1.477 CCC(=O)COCc1cscn1 34a_100000725409_100000205941 [0,1,0,0,0,1|2,0,0]=4 2402 B12R1.477 CCC(=O)COCc1ncc[nH]1 34a_100000725409_100016991755 [0,1,0,0,0,1|2,0,0]=4 2403 B12R1.477 CCC(=O)COCc1ncco1 34a_100000725409_103436540062 [0,1,0,0,0,1|1,0,0]=3 2404 B12R1.477 CCC(=O)COCc1nccs1 34a_100000725409_100015184050 [0,1,0,0,0,1|1,1,0]=4 2405 B12R1.477 CCC(=O)CSCc1ncco1 62a_100000747405_103436540062 [0,1,0,0,0,1|1,1,0]=4 2406 B12R1.477 CCC(=O)CSCc1ncco1 62a_103436540062_100000747405 [0,1,0,0,0,1|1,1,0]=4 2407 B12R1.477 CCC(=O)NCCc1ccco1 11a_100000694680_100000210414 [0,1,0,0,0,1|1,0,0]=3 2408 B12R1.477 CCC(=O)NCCc1ccco1 1626a_100000694680_100000210414 [0,1,0,0,0,1|1,0,0]=3 2409 B12R1.477 CCC(=O)NCCc1ccco1 240690a_100000694680_100000210414 [0,1,0,0,0,1|1,0,0]=3 2410 B12R1.477 CCC(=O)NCCc1ccco1 527a_100000694680_100000210414 [0,1,0,0,0,1|1,0,0]=3 2411 B12R1.477 CCC(=O)NCCc1cccs1 11a_100000203755_100000210414 [0,1,0,0,0,1|1,1,0]=4 2412 B12R1.477 CCC(=O)NCCc1cccs1 1626a_100000203755_100000210414 [0,1,0,0,0,1|1,1,0]=4 2413 B12R1.477 CCC(=O)NCCc1cccs1 240690a_100000203755_100000210414 [0,1,0,0,0,1|1,1,0]=4 2414 B12R1.477 CCC(=O)NCCc1cccs1 527a_100000203755_100000210414 [0,1,0,0,0,1|1,1,0]=4 2415 B12R1.477 CCC(=O)NN=Cc1ccco1 4a_100000183195_100000186105 [0,1,0,0,0,1|1,0,1]=4 2416 B12R1.477 CCC(C)COCc1ccco1 34a_100000210059_100000748023 [0,1,0,0,0,1|1,0,1]=4 2417 B12R1.477 CCC(O)COCc1ccco1 34a_100000210059_100011218378 [0,1,0,0,0,1|0,0,2]=4 2418 B12R1.477 CC[C@H](C)COCc1ccco1 34a_100000210059_100009816398 [0,1,0,0,0,1|1,0,1]=4 2419 B12R1.477 CNC(=O)CCCc1cccs1 11a_106832991635_100000184482 [0,1,0,0,0,1|1,1,0]=4 2420 B12R1.477 CNC(=O)CCCc1cccs1 1626a_100102657272_100000184482 [0,1,0,0,0,1|1,1,0]=4 2421 B12R1.477 CNC(=O)CCCc1cccs1 240690a_100102657272_100000184482 [0,1,0,0,0,1|1,1,0]=4 2422 B12R1.477 CNC(=O)CCCc1cccs1 527a_100102657272_100000184482 [0,1,0,0,0,1|1,1,0]=4 2423 B12R1.477 CNC(=O)CCSc1ccco1 62a_100000737683_100009814098 [0,1,0,0,0,1|1,0,0]=3 2424 B12R1.477 CNC(=O)CCSc1ccco1 62a_100009814098_100000737683 [0,1,0,0,0,1|1,0,0]=3 2425 B12R1.477 CNC(=O)CCSc1cccs1 62a_100000737683_100011215356 [0,1,0,0,0,1|1,1,0]=4 2426 B12R1.477 CNC(=O)CCSc1cccs1 62a_100011215356_100000737683 [0,1,0,0,0,1|1,1,0]=4 2427 B12R1.477 CNC(=O)CCSc1cnco1 62a_100000737683_100020591547 [0,1,0,0,0,1|2,0,0]=4 2428 B12R1.477 CNC(=O)CCSc1cnco1 62a_100020591547_100000737683 [0,1,0,0,0,1|2,0,0]=4 2429 B12R1.477 CNC(=O)CCSc1ncco1 62a_100000737683_100011787736 [0,1,0,0,0,1|2,0,0]=4 2430 B12R1.477 CNC(=O)CCSc1ncco1 62a_100011787736_100000737683 [0,1,0,0,0,1|2,0,0]=4 2431 B12R1.477 CNC(=O)CNCc1ccco1 207a_100000693194_100000186105 [0,1,0,0,0,1|1,0,0]=3 2432 B12R1.477 CNC(=O)CNCc1ccco1 2230a_100000185738_100000183359 [0,1,0,0,0,1|1,0,0]=3 2433 B12R1.477 CNC(=O)CNCc1ccco1 270004a_100000693194_100000186105 [0,1,0,0,0,1|1,0,0]=3 2434 B12R1.477 CNC(=O)CNCc1ccco1 34a_100000185738_100000183359 [0,1,0,0,0,1|1,0,0]=3 2435 B12R1.477 CNC(=O)CNCc1cccs1 207a_100000693194_100000209959 [0,1,0,0,0,1|1,1,0]=4 2436 B12R1.477 CNC(=O)CNCc1cccs1 2230a_100000211653_100000183359 [0,1,0,0,0,1|1,1,0]=4 2437 B12R1.477 CNC(=O)CNCc1cccs1 270004a_100000693194_100000209959 [0,1,0,0,0,1|1,1,0]=4 2438 B12R1.477 CNC(=O)CNCc1cnco1 270004a_100000693194_100000064291 [0,1,0,0,0,1|2,0,0]=4 2439 B12R1.477 CNC(=O)CNCc1ncco1 2230a_100000693194_103436540062 [0,1,0,0,0,1|2,0,0]=4 2440 B12R1.477 CNC(=O)CNCc1ncco1 2230a_100016994969_100000183359 [0,1,0,0,0,1|2,0,0]=4 2441 B12R1.477 CNC(=O)CNCc1ncco1 270004a_100000693194_100000064290 [0,1,0,0,0,1|2,0,0]=4 2442 B12R1.477 CNC(=O)COCc1c[nH]cn1 34a_100000750040_100000707719 [0,1,0,0,0,1|2,0,0]=4 2443 B12R1.477 CNC(=O)COCc1ccco1 34a_100000210059_100000183359 [0,1,0,0,0,1|0,0,0]=2 2444 B12R1.477 CNC(=O)COCc1cccs1 34a_100000211240_100000183359 [0,1,0,0,0,1|0,1,0]=3 2445 B12R1.477 CNC(=O)COCc1ccn[nH]1 34a_100000750040_100000728653 [0,1,0,0,0,1|2,0,0]=4 2446 B12R1.477 CNC(=O)COCc1ccno1 34a_100000740478_100000183359 [0,1,0,0,0,1|1,0,0]=3 2447 B12R1.477 CNC(=O)COCc1ccoc1 34a_100011215357_100000183359 [0,1,0,0,0,1|2,0,0]=4 2448 B12R1.477 CNC(=O)COCc1ccon1 34a_100000750040_100000234950 [0,1,0,0,0,1|2,0,0]=4 2449 B12R1.477 CNC(=O)COCc1ccsc1 34a_100000750040_100011261437 [0,1,0,0,0,1|2,0,0]=4 2450 B12R1.477 CNC(=O)COCc1ccsc1 34a_100011215551_100000183359 [0,1,0,0,0,1|2,0,0]=4 2451 B12R1.477 CNC(=O)COCc1cncs1 34a_100000750040_100015185245 [0,1,0,0,0,1|1,1,0]=4 2452 B12R1.477 CNC(=O)COCc1cscn1 34a_100000750040_100000205941 [0,1,0,0,0,1|2,0,0]=4 2453 B12R1.477 CNC(=O)COCc1ncc[nH]1 34a_100000750040_100016991755 [0,1,0,0,0,1|2,0,0]=4 2454 B12R1.477 CNC(=O)COCc1ncco1 34a_100000062594_100000183359 [0,1,0,0,0,1|1,0,0]=3 2455 B12R1.477 CNC(=O)COCc1ncco1 34a_100000750040_103436540062 [0,1,0,0,0,1|1,0,0]=3 2456 B12R1.477 CNC(=O)COCc1nccs1 34a_100000750040_100015184050 [0,1,0,0,0,1|1,1,0]=4 2457 B12R1.477 CNC(=O)COCn1cccn1 34a_100000731028_100000183359 [0,1,0,0,0,1|2,0,0]=4 2458 B12R1.477 CNC(=O)CSCc1ncco1 62a_100000183359_103436540062 [0,1,0,0,0,1|1,1,0]=4 2459 B12R1.477 CNC(=O)CSCc1ncco1 62a_103436540062_100000183359 [0,1,0,0,0,1|1,1,0]=4 2460 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100000694680_106832991635 [0,1,0,0,0,1|1,0,0]=3 2461 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100102657272_100000694680 [0,1,0,0,0,1|1,0,0]=3 2462 B12R1.477 CNC(=O)NCCc1ccco1 273464a_100000694680_100102657272 [0,1,0,0,0,1|1,0,0]=3 2463 B12R1.477 CNC(=O)NCCc1ccco1 512a_100000694680_100102657272 [0,1,0,0,0,1|1,0,0]=3 2464 B12R1.477 CNC(=O)NCCc1ccco1 512a_106832991638_100000694680 [0,1,0,0,0,1|1,0,0]=3 2465 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100000203755_106832991635 [0,1,0,0,0,1|1,1,0]=4 2466 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100102657272_100000203755 [0,1,0,0,0,1|1,1,0]=4 2467 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100000203755_100102657272 [0,1,0,0,0,1|1,1,0]=4 2468 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100102657272_100000203755 [0,1,0,0,0,1|1,1,0]=4 2469 B12R1.477 CNC(=O)NCCc1cccs1 512a_100000203755_100102657272 [0,1,0,0,0,1|1,1,0]=4 2470 B12R1.477 CNC(=O)NCCc1cccs1 512a_106832991638_100000203755 [0,1,0,0,0,1|1,1,0]=4 2471 B12R1.477 COC(=O)CCSc1ccco1 62a_100000204255_100009814098 [0,1,0,0,0,1|1,0,0]=3 2472 B12R1.477 COC(=O)CCSc1ccco1 62a_100009814098_100000204255 [0,1,0,0,0,1|1,0,0]=3 2473 B12R1.477 COC(=O)CCSc1cccs1 62a_100000204255_100011215356 [0,1,0,0,0,1|1,1,0]=4 2474 B12R1.477 COC(=O)CCSc1cccs1 62a_100011215356_100000204255 [0,1,0,0,0,1|1,1,0]=4 2475 B12R1.477 COC(=O)CCSc1cnco1 62a_100000204255_100020591547 [0,1,0,0,0,1|2,0,0]=4 2476 B12R1.477 COC(=O)CCSc1cnco1 62a_100020591547_100000204255 [0,1,0,0,0,1|2,0,0]=4 2477 B12R1.477 COC(=O)CCSc1ncco1 62a_100000204255_100011787736 [0,1,0,0,0,1|2,0,0]=4 2478 B12R1.477 COC(=O)CCSc1ncco1 62a_100011787736_100000204255 [0,1,0,0,0,1|2,0,0]=4 2479 B12R1.477 COC(=O)CNCc1ccco1 2230a_100000185738_100000747449 [0,1,0,0,0,1|1,0,0]=3 2480 B12R1.477 COC(=O)CNCc1ccco1 34a_100000185738_100000747449 [0,1,0,0,0,1|1,0,0]=3 2481 B12R1.477 COC(=O)CNCc1cccs1 2230a_100000211653_100000747449 [0,1,0,0,0,1|1,1,0]=4 2482 B12R1.477 COC(=O)CNCc1ncco1 2230a_100016994969_100000747449 [0,1,0,0,0,1|2,0,0]=4 2483 B12R1.477 COC(=O)COCc1ccco1 34a_100000210059_100000747449 [0,1,0,0,0,1|0,0,0]=2 2484 B12R1.477 COC(=O)COCc1cccs1 34a_100000211240_100000747449 [0,1,0,0,0,1|0,1,0]=3 2485 B12R1.477 COC(=O)COCc1ccno1 34a_100000740478_100000747449 [0,1,0,0,0,1|1,0,0]=3 2486 B12R1.477 COC(=O)COCc1ccoc1 34a_100011215357_100000747449 [0,1,0,0,0,1|2,0,0]=4 2487 B12R1.477 COC(=O)COCc1ccsc1 34a_100011215551_100000747449 [0,1,0,0,0,1|2,0,0]=4 2488 B12R1.477 COC(=O)COCc1ncco1 34a_100000062594_100000747449 [0,1,0,0,0,1|1,0,0]=3 2489 B12R1.477 COC(=O)COCn1cccn1 34a_100000731028_100000747449 [0,1,0,0,0,1|2,0,0]=4 2490 B12R1.477 COC(=O)CSCc1ncco1 62a_100000747449_103436540062 [0,1,0,0,0,1|1,1,0]=4 2491 B12R1.477 COC(=O)CSCc1ncco1 62a_103436540062_100000747449 [0,1,0,0,0,1|1,1,0]=4 2492 B12R1.477 COC(=O)OCSc1c[nH]cn1 62a_100000756875_100000139417 [0,1,0,0,0,1|2,0,0]=4 2493 B12R1.477 COC(=O)OCSc1cc[nH]n1 62a_100000062575_100000139417 [0,1,0,0,0,1|2,0,0]=4 2494 B12R1.477 COC(=O)OCSc1ccco1 62a_100009814098_100000139417 [0,1,0,0,0,1|0,0,0]=2 2495 B12R1.477 COC(=O)OCSc1cccs1 62a_100011215356_100000139417 [0,1,0,0,0,1|0,1,0]=3 2496 B12R1.477 COC(=O)OCSc1ccoc1 62a_100011215275_100000139417 [0,1,0,0,0,1|2,0,0]=4 2497 B12R1.477 COC(=O)OCSc1ccon1 62a_100009818083_100000139417 [0,1,0,0,0,1|2,0,0]=4 2498 B12R1.477 COC(=O)OCSc1ccsc1 62a_100000738268_100000139417 [0,1,0,0,0,1|2,0,0]=4 2499 B12R1.477 COC(=O)OCSc1ccsn1 62a_100009818082_100000139417 [0,1,0,0,0,1|2,0,0]=4 2500 B12R1.477 COC(=O)OCSc1cnco1 62a_100020591547_100000139417 [0,1,0,0,0,1|1,0,0]=3 2501 B12R1.477 COC(=O)OCSc1cncs1 62a_100011934649_100000139417 [0,1,0,0,0,1|1,1,0]=4 2502 B12R1.477 COC(=O)OCSc1cscn1 62a_100000751502_100000139417 [0,1,0,0,0,1|2,0,0]=4 2503 B12R1.477 COC(=O)OCSc1ncc[nH]1 62a_100025796157_100000139417 [0,1,0,0,0,1|2,0,0]=4 2504 B12R1.477 COC(=O)OCSc1ncco1 62a_100011787736_100000139417 [0,1,0,0,0,1|1,0,0]=3 2505 B12R1.477 COC(=O)OCSc1nccs1 62a_100000211983_100000139417 [0,1,0,0,0,1|1,1,0]=4 2506 B12R1.477 C[C@@H](CO)COCc1ccco1 34a_100000210059_100000059175 [0,1,0,0,0,1|0,0,2]=4 2507 B12R1.477 O=C(CF)CCCc1cccs1 1458a_100000184482_100015361967 [0,1,0,0,0,1|1,1,0]=4 2508 B12R1.477 O=C(CO)CCCc1cccs1 1458a_100000210174_100010992444 [0,1,0,0,0,1|1,1,0]=4 2509 B12R1.477 O=C(CO)NCCc1ccco1 240690a_100000694680_100000210174 [0,1,0,0,0,1|1,0,0]=3 2510 B12R1.477 O=C(CO)NCCc1ccco1 527a_100000694680_100000210174 [0,1,0,0,0,1|1,0,0]=3 2511 B12R1.477 O=C(CO)NCCc1cccs1 240690a_100000203755_100000210174 [0,1,0,0,0,1|1,1,0]=4 2512 B12R1.477 O=C(CO)NCCc1cccs1 527a_100000203755_100000210174 [0,1,0,0,0,1|1,1,0]=4 2513 B12R1.477 OCC(O)COCc1ccco1 34a_100000210059_100011219619 [0,1,0,0,0,1|0,0,2]=4 2514 B12R1.477 OC[C@H](O)COCc1ccco1 34a_100000210059_100009815848 [0,1,0,0,0,1|0,0,2]=4 2515 B12R1.477 O[C@@H](CF)COCc1ccco1 34a_100000210059_100015614560 [0,1,0,0,0,1|0,0,2]=4 2516 B12R1.890 CC(C)(C)COCc1ccco1 34a_100000210059_100011219605 [0,1,0,0,0,1|1,0,1]=4 2517 B12R1.890 CC(C)(F)COCc1ccco1 34a_100000210059_100011997219 [0,1,0,0,0,1|1,0,1]=4 2518 B12R1.890 CC(C)(O)COCc1ccco1 34a_100000210059_100000764493 [0,1,0,0,0,1|0,0,2]=4 2519 B12R1.890 CS(=O)(=O)CCSc1ccco1 62a_100000731031_100009814098 [0,1,0,0,0,1|2,0,0]=4 2520 B12R1.890 CS(=O)(=O)CCSc1ccco1 62a_100009814098_100000230027 [0,1,0,0,0,1|2,0,0]=4 2521 B12R1.890 CS(=O)(=O)NCCc1ccco1 40a_100000694680_100000738038 [0,1,0,0,0,1|2,0,0]=4 2522 B12R1.890 O=S(=O)([O-])COCc1ccco1 34a_100000210059_100009817235 [0,1,0,0,0,1|2,0,0]=4 2523 B12R1.15 C#CC(C)O[C@@H](C)c1ccco1 34a_100000755270_200000035995 [0,2,0,0,0,0|1,0,1]=4 2524 B12R1.15 C=CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000185746 [0,2,0,0,0,0|1,0,1]=4 2525 B12R1.15 C=CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_200121576911 [0,2,0,0,0,0|1,0,1]=4 2526 B12R1.15 CC(C#N)O[C@@H](C)c1ccco1 7a_100000755270_100000703298 [0,2,0,0,0,0|1,0,1]=4 2527 B12R1.15 CC(CO)O[C@@H](C)c1ccco1 34a_100000755270_100012180447 [0,2,0,0,0,0|0,0,2]=4 2528 B12R1.15 CC(CO)O[C@@H](C)c1ccco1 7a_100000755270_100012180447 [0,2,0,0,0,0|0,0,2]=4 2529 B12R1.15 CC(NC(=O)CO)c1cccs1 240690a_100000703493_100000210174 [0,2,0,0,0,0|1,1,0]=4 2530 B12R1.15 CC(NC(=O)CO)c1cccs1 527a_100000703493_100000210174 [0,2,0,0,0,0|1,1,0]=4 2531 B12R1.15 CCC(=O)CC(=O)c1ccco1 1458a_100000210414_100000211439 [0,2,0,0,0,0|1,0,1]=4 2532 B12R1.15 CCC(=O)NC(C)c1cccs1 11a_100000703493_100000210414 [0,2,0,0,0,0|1,1,0]=4 2533 B12R1.15 CCC(=O)NC(C)c1cccs1 1626a_100000703493_100000210414 [0,2,0,0,0,0|1,1,0]=4 2534 B12R1.15 CCC(=O)NC(C)c1cccs1 240690a_100000703493_100000210414 [0,2,0,0,0,0|1,1,0]=4 2535 B12R1.15 CCC(=O)NC(C)c1cccs1 527a_100000703493_100000210414 [0,2,0,0,0,0|1,1,0]=4 2536 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000210414 [0,2,0,0,0,0|1,0,0]=3 2537 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000210414 [0,2,0,0,0,0|1,0,0]=3 2538 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000210414 [0,2,0,0,0,0|1,0,0]=3 2539 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000210414 [0,2,0,0,0,0|1,0,0]=3 2540 B12R1.15 CCC(C)O[C@@H](C)c1ccco1 34a_100000755270_100011215416 [0,2,0,0,0,0|1,0,1]=4 2541 B12R1.15 CCC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000758301 [0,2,0,0,0,0|1,0,1]=4 2542 B12R1.15 CNC(=O)NC(C)c1cccs1 2708a_100000703493_106832991635 [0,2,0,0,0,0|1,1,0]=4 2543 B12R1.15 CNC(=O)NC(C)c1cccs1 2708a_100102657272_100000703493 [0,2,0,0,0,0|1,1,0]=4 2544 B12R1.15 CNC(=O)NC(C)c1cccs1 273464a_100000703493_100102657272 [0,2,0,0,0,0|1,1,0]=4 2545 B12R1.15 CNC(=O)NC(C)c1cccs1 273464a_100102657272_100000703493 [0,2,0,0,0,0|1,1,0]=4 2546 B12R1.15 CNC(=O)NC(C)c1cccs1 512a_100000703493_100102657272 [0,2,0,0,0,0|1,1,0]=4 2547 B12R1.15 CNC(=O)NC(C)c1cccs1 512a_106832991638_100000703493 [0,2,0,0,0,0|1,1,0]=4 2548 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 2708a_100102657272_100160469435 [0,2,0,0,0,0|1,0,0]=3 2549 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 2708a_100160469435_106832991635 [0,2,0,0,0,0|1,0,0]=3 2550 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 273464a_100102657272_100160469435 [0,2,0,0,0,0|1,0,0]=3 2551 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 273464a_100160469435_100102657272 [0,2,0,0,0,0|1,0,0]=3 2552 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 512a_100160469435_100102657272 [0,2,0,0,0,0|1,0,0]=3 2553 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 512a_106832991638_100160469435 [0,2,0,0,0,0|1,0,0]=3 2554 B12R1.15 C[C@@H](NC(=O)CO)c1ccco1 240690a_100160469435_100000210174 [0,2,0,0,0,0|1,0,0]=3 2555 B12R1.15 C[C@@H](NC(=O)CO)c1ccco1 527a_100160469435_100000210174 [0,2,0,0,0,0|1,0,0]=3 2556 B12R1.15 O=C(CO)CC(=O)c1ccco1 1458a_100000210174_100000211439 [0,2,0,0,0,0|1,0,1]=4 2557 B12R1.26 C#CC(C)OCc1ccc(o1)Br 34a_100000246276_200000035995 [0,2,0,0,0,0|1,0,1]=4 2558 B12R1.26 C#CC(C)OCc1ccc(o1)C 34a_100011232665_200000035995 [0,2,0,0,0,0|1,0,1]=4 2559 B12R1.26 C=CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000185746 [0,2,0,0,0,0|1,0,1]=4 2560 B12R1.26 C=CC(=O)NCc1ccc(o1)Br 240690a_100000708654_200121576911 [0,2,0,0,0,0|1,0,1]=4 2561 B12R1.26 C=CC(=O)NCc1ccc(o1)C 1626a_100011194323_100000185746 [0,2,0,0,0,0|1,0,1]=4 2562 B12R1.26 C=CC(=O)NCc1ccc(o1)C 240690a_100011194323_200121576911 [0,2,0,0,0,0|1,0,1]=4 2563 B12R1.26 CC(C#N)OCc1ccc(o1)Br 7a_100000246276_100000703298 [0,2,0,0,0,0|1,0,1]=4 2564 B12R1.26 CC(CO)OCc1ccc(o1)Br 34a_100000246276_100012180447 [0,2,0,0,0,0|0,0,2]=4 2565 B12R1.26 CC(CO)OCc1ccc(o1)Br 7a_100000246276_100012180447 [0,2,0,0,0,0|0,0,2]=4 2566 B12R1.26 CCC(=O)C=Cc1cc(co1)Br 6a_100000747035_100000211110 [0,2,0,0,0,0|1,0,1]=4 2567 B12R1.26 CCC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_100000210202 [0,2,0,0,0,0|1,0,1]=4 2568 B12R1.26 CCC(=O)C=Cc1ccc(o1)C 1458a_100000183563_100000210202 [0,2,0,0,0,0|1,0,1]=4 2569 B12R1.26 CCC(=O)C=Cc1ccc(o1)I 1458a_100000679848_100000210202 [0,2,0,0,0,0|1,0,1]=4 2570 B12R1.26 CCC(=O)C=Cc1ccc(o1)I 6a_100000186757_100000211110 [0,2,0,0,0,0|1,0,1]=4 2571 B12R1.26 CCC(=O)CCc1cc(no1)Cl 1458a_100000022696_100000210202 [0,2,0,0,0,0|2,0,0]=4 2572 B12R1.26 CCC(=O)NCc1cc(cs1)Br 11a_100000741024_100000210414 [0,2,0,0,0,0|1,1,0]=4 2573 B12R1.26 CCC(=O)NCc1cc(cs1)Br 1626a_100000741024_100000210414 [0,2,0,0,0,0|1,1,0]=4 2574 B12R1.26 CCC(=O)NCc1cc(cs1)Br 240690a_100000741024_100000210414 [0,2,0,0,0,0|1,1,0]=4 2575 B12R1.26 CCC(=O)NCc1cc(cs1)Br 527a_100000741024_100000210414 [0,2,0,0,0,0|1,1,0]=4 2576 B12R1.26 CCC(=O)NCc1cc(cs1)C 11a_100015204214_100000210414 [0,2,0,0,0,0|1,1,0]=4 2577 B12R1.26 CCC(=O)NCc1cc(cs1)C 1626a_100015204214_100000210414 [0,2,0,0,0,0|1,1,0]=4 2578 B12R1.26 CCC(=O)NCc1cc(cs1)C 240690a_100015204214_100000210414 [0,2,0,0,0,0|1,1,0]=4 2579 B12R1.26 CCC(=O)NCc1cc(cs1)C 527a_100015204214_100000210414 [0,2,0,0,0,0|1,1,0]=4 2580 B12R1.26 CCC(=O)NCc1cc(no1)Br 11a_100015193020_100000210414 [0,2,0,0,0,0|2,0,0]=4 2581 B12R1.26 CCC(=O)NCc1cc(no1)Br 240690a_100015193020_100000210414 [0,2,0,0,0,0|2,0,0]=4 2582 B12R1.26 CCC(=O)NCc1cc(no1)Br 527a_100015193020_100000210414 [0,2,0,0,0,0|2,0,0]=4 2583 B12R1.26 CCC(=O)NCc1cc(no1)C 11a_100000745748_100000210414 [0,2,0,0,0,0|2,0,0]=4 2584 B12R1.26 CCC(=O)NCc1cc(no1)C 240690a_100000745748_100000210414 [0,2,0,0,0,0|2,0,0]=4 2585 B12R1.26 CCC(=O)NCc1cc(no1)C 527a_100000745748_100000210414 [0,2,0,0,0,0|2,0,0]=4 2586 B12R1.26 CCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000210414 [0,2,0,0,0,0|1,0,0]=3 2587 B12R1.26 CCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000210414 [0,2,0,0,0,0|1,0,0]=3 2588 B12R1.26 CCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000210414 [0,2,0,0,0,0|1,0,0]=3 2589 B12R1.26 CCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000210414 [0,2,0,0,0,0|1,0,0]=3 2590 B12R1.26 CCC(=O)NCc1ccc(o1)C 11a_100011194323_100000210414 [0,2,0,0,0,0|1,0,0]=3 2591 B12R1.26 CCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000210414 [0,2,0,0,0,0|1,0,0]=3 2592 B12R1.26 CCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000210414 [0,2,0,0,0,0|1,0,0]=3 2593 B12R1.26 CCC(=O)NCc1ccc(o1)C 527a_100011194323_100000210414 [0,2,0,0,0,0|1,0,0]=3 2594 B12R1.26 CCC(=O)NCc1ccc(s1)Br 11a_100000737305_100000210414 [0,2,0,0,0,0|1,1,0]=4 2595 B12R1.26 CCC(=O)NCc1ccc(s1)Br 1626a_100000737305_100000210414 [0,2,0,0,0,0|1,1,0]=4 2596 B12R1.26 CCC(=O)NCc1ccc(s1)Br 240690a_100000737305_100000210414 [0,2,0,0,0,0|1,1,0]=4 2597 B12R1.26 CCC(=O)NCc1ccc(s1)Br 527a_100000737305_100000210414 [0,2,0,0,0,0|1,1,0]=4 2598 B12R1.26 CCC(=O)NCc1ccc(s1)C 11a_100000238518_100000210414 [0,2,0,0,0,0|1,1,0]=4 2599 B12R1.26 CCC(=O)NCc1ccc(s1)C 1626a_100000238518_100000210414 [0,2,0,0,0,0|1,1,0]=4 2600 B12R1.26 CCC(=O)NCc1ccc(s1)C 240690a_100000238518_100000210414 [0,2,0,0,0,0|1,1,0]=4 2601 B12R1.26 CCC(=O)NCc1ccc(s1)C 527a_100000238518_100000210414 [0,2,0,0,0,0|1,1,0]=4 2602 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 11a_100000737310_100000210414 [0,2,0,0,0,0|1,1,0]=4 2603 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100000210414 [0,2,0,0,0,0|1,1,0]=4 2604 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100000210414 [0,2,0,0,0,0|1,1,0]=4 2605 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 527a_100000737310_100000210414 [0,2,0,0,0,0|1,1,0]=4 2606 B12R1.26 CCC(=O)NCc1ncc(o1)C 11a_100138411809_100000210414 [0,2,0,0,0,0|2,0,0]=4 2607 B12R1.26 CCC(=O)NCc1ncc(o1)C 1626a_100138411809_100000210414 [0,2,0,0,0,0|2,0,0]=4 2608 B12R1.26 CCC(=O)NCc1ncc(o1)C 240690a_100138411809_100000210414 [0,2,0,0,0,0|2,0,0]=4 2609 B12R1.26 CCC(=O)NCc1ncc(o1)C 527a_100138411809_100000210414 [0,2,0,0,0,0|2,0,0]=4 2610 B12R1.26 CCC(C)OCc1ccc(o1)Br 34a_100000246276_100011215416 [0,2,0,0,0,0|1,0,1]=4 2611 B12R1.26 CCC(C)OCc1ccc(o1)Br 7a_100000246276_100000758301 [0,2,0,0,0,0|1,0,1]=4 2612 B12R1.26 CCC(C)OCc1ccc(o1)C 34a_100011232665_100011215416 [0,2,0,0,0,0|1,0,1]=4 2613 B12R1.26 CCC(C)OCc1ccc(o1)C 7a_100011232665_100000758301 [0,2,0,0,0,0|1,0,1]=4 2614 B12R1.26 CNC(=O)C=Cc1ccc(o1)Br 11a_106832991635_100000182240 [0,2,0,0,0,0|1,0,1]=4 2615 B12R1.26 CNC(=O)C=Cc1ccc(o1)Br 240690a_100102657272_100000182240 [0,2,0,0,0,0|1,0,1]=4 2616 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 11a_106832991635_100000183563 [0,2,0,0,0,0|1,0,1]=4 2617 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 1626a_100102657272_100000183563 [0,2,0,0,0,0|1,0,1]=4 2618 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 240690a_100102657272_100000183563 [0,2,0,0,0,0|1,0,1]=4 2619 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 527a_100102657272_100000183563 [0,2,0,0,0,0|1,0,1]=4 2620 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 11a_106832991635_100000679848 [0,2,0,0,0,0|1,0,1]=4 2621 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 1626a_100102657272_100000679848 [0,2,0,0,0,0|1,0,1]=4 2622 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 240690a_100102657272_100000679848 [0,2,0,0,0,0|1,0,1]=4 2623 B12R1.26 CNC(=O)CCc1cc(no1)Cl 11a_106832991635_100000022696 [0,2,0,0,0,0|2,0,0]=4 2624 B12R1.26 CNC(=O)CCc1cc(no1)Cl 1626a_100102657272_100000022696 [0,2,0,0,0,0|2,0,0]=4 2625 B12R1.26 CNC(=O)CCc1cc(no1)Cl 240690a_100102657272_100000022696 [0,2,0,0,0,0|2,0,0]=4 2626 B12R1.26 CNC(=O)CCc1cc(no1)Cl 527a_100102657272_100000022696 [0,2,0,0,0,0|2,0,0]=4 2627 B12R1.26 CNC(=O)NCc1cc(cs1)Br 2708a_100000741024_106832991635 [0,2,0,0,0,0|1,1,0]=4 2628 B12R1.26 CNC(=O)NCc1cc(cs1)Br 2708a_100102657272_100000741024 [0,2,0,0,0,0|1,1,0]=4 2629 B12R1.26 CNC(=O)NCc1cc(cs1)Br 273464a_100000741024_100102657272 [0,2,0,0,0,0|1,1,0]=4 2630 B12R1.26 CNC(=O)NCc1cc(cs1)Br 273464a_100102657272_100000741024 [0,2,0,0,0,0|1,1,0]=4 2631 B12R1.26 CNC(=O)NCc1cc(cs1)Br 512a_100000741024_100102657272 [0,2,0,0,0,0|1,1,0]=4 2632 B12R1.26 CNC(=O)NCc1cc(cs1)Br 512a_106832991638_100000741024 [0,2,0,0,0,0|1,1,0]=4 2633 B12R1.26 CNC(=O)NCc1cc(cs1)C 2708a_100015204214_106832991635 [0,2,0,0,0,0|1,1,0]=4 2634 B12R1.26 CNC(=O)NCc1cc(cs1)C 2708a_100102657272_100015204214 [0,2,0,0,0,0|1,1,0]=4 2635 B12R1.26 CNC(=O)NCc1cc(cs1)C 273464a_100015204214_100102657272 [0,2,0,0,0,0|1,1,0]=4 2636 B12R1.26 CNC(=O)NCc1cc(cs1)C 273464a_100102657272_100015204214 [0,2,0,0,0,0|1,1,0]=4 2637 B12R1.26 CNC(=O)NCc1cc(cs1)C 512a_100015204214_100102657272 [0,2,0,0,0,0|1,1,0]=4 2638 B12R1.26 CNC(=O)NCc1cc(cs1)C 512a_106832991638_100015204214 [0,2,0,0,0,0|1,1,0]=4 2639 B12R1.26 CNC(=O)NCc1cc(no1)Br 2708a_100015193020_106832991635 [0,2,0,0,0,0|2,0,0]=4 2640 B12R1.26 CNC(=O)NCc1cc(no1)Br 2708a_100102657272_100015193020 [0,2,0,0,0,0|2,0,0]=4 2641 B12R1.26 CNC(=O)NCc1cc(no1)Br 273464a_100015193020_100102657272 [0,2,0,0,0,0|2,0,0]=4 2642 B12R1.26 CNC(=O)NCc1cc(no1)Br 273464a_100102657272_100015193020 [0,2,0,0,0,0|2,0,0]=4 2643 B12R1.26 CNC(=O)NCc1cc(no1)Br 512a_100015193020_100102657272 [0,2,0,0,0,0|2,0,0]=4 2644 B12R1.26 CNC(=O)NCc1cc(no1)Br 512a_106832991638_100015193020 [0,2,0,0,0,0|2,0,0]=4 2645 B12R1.26 CNC(=O)NCc1cc(no1)C 2708a_100000745748_106832991635 [0,2,0,0,0,0|2,0,0]=4 2646 B12R1.26 CNC(=O)NCc1cc(no1)C 2708a_100102657272_100000745748 [0,2,0,0,0,0|2,0,0]=4 2647 B12R1.26 CNC(=O)NCc1cc(no1)C 273464a_100000745748_100102657272 [0,2,0,0,0,0|2,0,0]=4 2648 B12R1.26 CNC(=O)NCc1cc(no1)C 273464a_100102657272_100000745748 [0,2,0,0,0,0|2,0,0]=4 2649 B12R1.26 CNC(=O)NCc1cc(no1)C 512a_100000745748_100102657272 [0,2,0,0,0,0|2,0,0]=4 2650 B12R1.26 CNC(=O)NCc1cc(no1)C 512a_106832991638_100000745748 [0,2,0,0,0,0|2,0,0]=4 2651 B12R1.26 CNC(=O)NCc1ccc(o1)Br 2708a_100000708654_106832991635 [0,2,0,0,0,0|1,0,0]=3 2652 B12R1.26 CNC(=O)NCc1ccc(o1)Br 2708a_100102657272_100000708654 [0,2,0,0,0,0|1,0,0]=3 2653 B12R1.26 CNC(=O)NCc1ccc(o1)Br 273464a_100000708654_100102657272 [0,2,0,0,0,0|1,0,0]=3 2654 B12R1.26 CNC(=O)NCc1ccc(o1)Br 273464a_100102657272_100000708654 [0,2,0,0,0,0|1,0,0]=3 2655 B12R1.26 CNC(=O)NCc1ccc(o1)Br 512a_100000708654_100102657272 [0,2,0,0,0,0|1,0,0]=3 2656 B12R1.26 CNC(=O)NCc1ccc(o1)Br 512a_106832991638_100000708654 [0,2,0,0,0,0|1,0,0]=3 2657 B12R1.26 CNC(=O)NCc1ccc(o1)C 2708a_100011194323_106832991635 [0,2,0,0,0,0|1,0,0]=3 2658 B12R1.26 CNC(=O)NCc1ccc(o1)C 2708a_100102657272_100011194323 [0,2,0,0,0,0|1,0,0]=3 2659 B12R1.26 CNC(=O)NCc1ccc(o1)C 273464a_100011194323_100102657272 [0,2,0,0,0,0|1,0,0]=3 2660 B12R1.26 CNC(=O)NCc1ccc(o1)C 512a_100011194323_100102657272 [0,2,0,0,0,0|1,0,0]=3 2661 B12R1.26 CNC(=O)NCc1ccc(o1)C 512a_106832991638_100011194323 [0,2,0,0,0,0|1,0,0]=3 2662 B12R1.26 CNC(=O)NCc1ccc(s1)Br 2708a_100000737305_106832991635 [0,2,0,0,0,0|1,1,0]=4 2663 B12R1.26 CNC(=O)NCc1ccc(s1)Br 2708a_100102657272_100000737305 [0,2,0,0,0,0|1,1,0]=4 2664 B12R1.26 CNC(=O)NCc1ccc(s1)Br 273464a_100000737305_100102657272 [0,2,0,0,0,0|1,1,0]=4 2665 B12R1.26 CNC(=O)NCc1ccc(s1)Br 273464a_100102657272_100000737305 [0,2,0,0,0,0|1,1,0]=4 2666 B12R1.26 CNC(=O)NCc1ccc(s1)Br 512a_100000737305_100102657272 [0,2,0,0,0,0|1,1,0]=4 2667 B12R1.26 CNC(=O)NCc1ccc(s1)Br 512a_106832991638_100000737305 [0,2,0,0,0,0|1,1,0]=4 2668 B12R1.26 CNC(=O)NCc1ccc(s1)C 2708a_100000238518_106832991635 [0,2,0,0,0,0|1,1,0]=4 2669 B12R1.26 CNC(=O)NCc1ccc(s1)C 2708a_100102657272_100000238518 [0,2,0,0,0,0|1,1,0]=4 2670 B12R1.26 CNC(=O)NCc1ccc(s1)C 273464a_100000238518_100102657272 [0,2,0,0,0,0|1,1,0]=4 2671 B12R1.26 CNC(=O)NCc1ccc(s1)C 273464a_100102657272_100000238518 [0,2,0,0,0,0|1,1,0]=4 2672 B12R1.26 CNC(=O)NCc1ccc(s1)C 512a_100000238518_100102657272 [0,2,0,0,0,0|1,1,0]=4 2673 B12R1.26 CNC(=O)NCc1ccc(s1)C 512a_106832991638_100000238518 [0,2,0,0,0,0|1,1,0]=4 2674 B12R1.26 CNC(=O)NCc1ccc(s1)Cl 2708a_100000737310_106832991635 [0,2,0,0,0,0|1,1,0]=4 2675 B12R1.26 CNC(=O)NCc1ccc(s1)Cl 2708a_100102657272_100000737310 [0,2,0,0,0,0|1,1,0]=4 2676 B12R1.26 CNC(=O)NCc1ccc(s1)Cl 273464a_100000737310_100102657272 [0,2,0,0,0,0|1,1,0]=4 2677 B12R1.26 CNC(=O)NCc1ccc(s1)Cl 273464a_100102657272_100000737310 [0,2,0,0,0,0|1,1,0]=4 2678 B12R1.26 CNC(=O)NCc1ccc(s1)Cl 512a_100000737310_100102657272 [0,2,0,0,0,0|1,1,0]=4 2679 B12R1.26 CNC(=O)NCc1ccc(s1)Cl 512a_106832991638_100000737310 [0,2,0,0,0,0|1,1,0]=4 2680 B12R1.26 CNC(=O)NCc1ncc(o1)C 2708a_100102657272_100138411809 [0,2,0,0,0,0|2,0,0]=4 2681 B12R1.26 CNC(=O)NCc1ncc(o1)C 2708a_100138411809_106832991635 [0,2,0,0,0,0|2,0,0]=4 2682 B12R1.26 CNC(=O)NCc1ncc(o1)C 273464a_100102657272_100138411809 [0,2,0,0,0,0|2,0,0]=4 2683 B12R1.26 CNC(=O)NCc1ncc(o1)C 512a_100138411809_100102657272 [0,2,0,0,0,0|2,0,0]=4 2684 B12R1.26 CNC(=O)NCc1ncc(o1)C 512a_106832991638_100138411809 [0,2,0,0,0,0|2,0,0]=4 2685 B12R1.26 COC(=O)/C=C/c1ccc(o1)O 271570a_203496583355_100000150861 [0,2,0,0,0,0|1,0,1]=4 2686 B12R1.26 Cc1cc(on1)CNC(=O)CO 240690a_100000745748_100000210174 [0,2,0,0,0,0|2,0,0]=4 2687 B12R1.26 Cc1cc(on1)CNC(=O)CO 527a_100000745748_100000210174 [0,2,0,0,0,0|2,0,0]=4 2688 B12R1.26 Cc1ccc(o1)C=CC(=O)CF 1458a_100000183563_100015361967 [0,2,0,0,0,0|1,0,1]=4 2689 B12R1.26 Cc1ccc(o1)CNC(=O)CO 240690a_100011194323_100000210174 [0,2,0,0,0,0|1,0,0]=3 2690 B12R1.26 Cc1ccc(o1)CNC(=O)CO 527a_100011194323_100000210174 [0,2,0,0,0,0|1,0,0]=3 2691 B12R1.26 Cc1ccc(o1)COC(C)C#N 7a_100011232665_100000703298 [0,2,0,0,0,0|1,0,1]=4 2692 B12R1.26 Cc1ccc(o1)COC(C)CO 34a_100011232665_100012180447 [0,2,0,0,0,0|0,0,2]=4 2693 B12R1.26 Cc1ccc(o1)COC(C)CO 7a_100011232665_100012180447 [0,2,0,0,0,0|0,0,2]=4 2694 B12R1.26 Cc1ccc(s1)CNC(=O)CO 240690a_100000238518_100000210174 [0,2,0,0,0,0|1,1,0]=4 2695 B12R1.26 Cc1ccc(s1)CNC(=O)CO 527a_100000238518_100000210174 [0,2,0,0,0,0|1,1,0]=4 2696 B12R1.26 Cc1cnc(o1)CNC(=O)CO 240690a_100138411809_100000210174 [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.26 Cc1cnc(o1)CNC(=O)CO 527a_100138411809_100000210174 [0,2,0,0,0,0|2,0,0]=4 2698 B12R1.26 Cc1csc(c1)CNC(=O)CO 240690a_100015204214_100000210174 [0,2,0,0,0,0|1,1,0]=4 2699 B12R1.26 Cc1csc(c1)CNC(=O)CO 527a_100015204214_100000210174 [0,2,0,0,0,0|1,1,0]=4 2700 B12R1.26 O=C(C=Cc1cc(co1)Br)CBr 6a_100000747035_100009888967 [0,2,0,0,0,0|1,0,1]=4 2701 B12R1.26 O=C(C=Cc1cc(co1)Br)CCl 6a_100000747035_100000086384 [0,2,0,0,0,0|1,0,1]=4 2702 B12R1.26 O=C(C=Cc1cc(co1)Br)CF 6a_100000747035_100000764096 [0,2,0,0,0,0|1,0,1]=4 2703 B12R1.26 O=C(C=Cc1ccc(o1)Br)CF 1458a_100000182240_100015361967 [0,2,0,0,0,0|1,0,1]=4 2704 B12R1.26 O=C(C=Cc1ccc(o1)I)CBr 6a_100000186757_100009888967 [0,2,0,0,0,0|1,0,1]=4 2705 B12R1.26 O=C(C=Cc1ccc(o1)I)CCl 6a_100000186757_100000086384 [0,2,0,0,0,0|1,0,1]=4 2706 B12R1.26 O=C(C=Cc1ccc(o1)I)CF 1458a_100000679848_100015361967 [0,2,0,0,0,0|1,0,1]=4 2707 B12R1.26 O=C(C=Cc1ccc(o1)I)CF 6a_100000186757_100000764096 [0,2,0,0,0,0|1,0,1]=4 2708 B12R1.26 O=C(CF)CCc1cc(no1)Cl 1458a_100000022696_100015361967 [0,2,0,0,0,0|2,0,0]=4 2709 B12R1.26 O=C(CO)NCc1cc(cs1)Br 240690a_100000741024_100000210174 [0,2,0,0,0,0|1,1,0]=4 2710 B12R1.26 O=C(CO)NCc1cc(cs1)Br 527a_100000741024_100000210174 [0,2,0,0,0,0|1,1,0]=4 2711 B12R1.26 O=C(CO)NCc1cc(no1)Br 240690a_100015193020_100000210174 [0,2,0,0,0,0|2,0,0]=4 2712 B12R1.26 O=C(CO)NCc1cc(no1)Br 527a_100015193020_100000210174 [0,2,0,0,0,0|2,0,0]=4 2713 B12R1.26 O=C(CO)NCc1ccc(o1)Br 240690a_100000708654_100000210174 [0,2,0,0,0,0|1,0,0]=3 2714 B12R1.26 O=C(CO)NCc1ccc(o1)Br 527a_100000708654_100000210174 [0,2,0,0,0,0|1,0,0]=3 2715 B12R1.26 O=C(CO)NCc1ccc(s1)Br 240690a_100000737305_100000210174 [0,2,0,0,0,0|1,1,0]=4 2716 B12R1.26 O=C(CO)NCc1ccc(s1)Br 527a_100000737305_100000210174 [0,2,0,0,0,0|1,1,0]=4 2717 B12R1.26 O=C(CO)NCc1ccc(s1)Cl 240690a_100000737310_100000210174 [0,2,0,0,0,0|1,1,0]=4 2718 B12R1.26 O=C(CO)NCc1ccc(s1)Cl 527a_100000737310_100000210174 [0,2,0,0,0,0|1,1,0]=4 2719 B12R1.51 C#CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000184674 [0,2,0,0,0,0|2,0,0]=4 2720 B12R1.51 C#CCC(=O)CCc1ccco1 1458a_100000185103_100000184674 [0,2,0,0,0,0|1,0,0]=3 2721 B12R1.51 C#CCC(=O)CCc1cccs1 1458a_100000185280_100000184674 [0,2,0,0,0,0|1,1,0]=4 2722 B12R1.51 C#CCC(=O)CCc1cccs1 1458a_100011220946_100000748579 [0,2,0,0,0,0|1,1,0]=4 2723 B12R1.51 C#CCC(=O)NCc1ccc[nH]1 527a_100000764082_100011220946 [0,2,0,0,0,0|2,0,0]=4 2724 B12R1.51 C#CCC(=O)NCc1ccco1 1626a_100000185738_100011220946 [0,2,0,0,0,0|1,0,0]=3 2725 B12R1.51 C#CCC(=O)NCc1ccco1 527a_100000185738_100011220946 [0,2,0,0,0,0|1,0,0]=3 2726 B12R1.51 C#CCC(=O)NCc1cccs1 1626a_100000211653_100011220946 [0,2,0,0,0,0|1,1,0]=4 2727 B12R1.51 C#CCC(=O)NCc1cccs1 527a_100000211653_100011220946 [0,2,0,0,0,0|1,1,0]=4 2728 B12R1.51 C#CCC(=O)NCc1cnco1 527a_100020634212_100011220946 [0,2,0,0,0,0|2,0,0]=4 2729 B12R1.51 C#CCC(=O)NCc1ncco1 1626a_100016994969_100011220946 [0,2,0,0,0,0|2,0,0]=4 2730 B12R1.51 C#CCC(=O)NCc1ncco1 527a_100016994969_100011220946 [0,2,0,0,0,0|2,0,0]=4 2731 B12R1.51 C=CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210623 [0,2,0,0,0,0|2,0,0]=4 2732 B12R1.51 C=CCC(=O)CCc1ccco1 1458a_100000185103_100000210623 [0,2,0,0,0,0|1,0,0]=3 2733 B12R1.51 C=CCC(=O)CCc1cccs1 1458a_100000185280_100000210623 [0,2,0,0,0,0|1,1,0]=4 2734 B12R1.51 C=CCC(=O)CCc1cccs1 1458a_100000210193_100000748579 [0,2,0,0,0,0|1,1,0]=4 2735 B12R1.51 C=CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210193 [0,2,0,0,0,0|2,0,0]=4 2736 B12R1.51 C=CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210193 [0,2,0,0,0,0|2,0,0]=4 2737 B12R1.51 C=CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210193 [0,2,0,0,0,0|2,0,0]=4 2738 B12R1.51 C=CCC(=O)NCc1ccco1 11a_100000185738_100000210193 [0,2,0,0,0,0|1,0,0]=3 2739 B12R1.51 C=CCC(=O)NCc1ccco1 1626a_100000185738_100000210193 [0,2,0,0,0,0|1,0,0]=3 2740 B12R1.51 C=CCC(=O)NCc1ccco1 240690a_100000185738_100000210193 [0,2,0,0,0,0|1,0,0]=3 2741 B12R1.51 C=CCC(=O)NCc1ccco1 527a_100000185738_100000210193 [0,2,0,0,0,0|1,0,0]=3 2742 B12R1.51 C=CCC(=O)NCc1cccs1 11a_100000211653_100000210193 [0,2,0,0,0,0|1,1,0]=4 2743 B12R1.51 C=CCC(=O)NCc1cccs1 1626a_100000211653_100000210193 [0,2,0,0,0,0|1,1,0]=4 2744 B12R1.51 C=CCC(=O)NCc1cccs1 240690a_100000211653_100000210193 [0,2,0,0,0,0|1,1,0]=4 2745 B12R1.51 C=CCC(=O)NCc1cccs1 527a_100000211653_100000210193 [0,2,0,0,0,0|1,1,0]=4 2746 B12R1.51 C=CCC(=O)NCc1cnco1 11a_100020634212_100000210193 [0,2,0,0,0,0|2,0,0]=4 2747 B12R1.51 C=CCC(=O)NCc1cnco1 240690a_100020634212_100000210193 [0,2,0,0,0,0|2,0,0]=4 2748 B12R1.51 C=CCC(=O)NCc1cnco1 527a_100020634212_100000210193 [0,2,0,0,0,0|2,0,0]=4 2749 B12R1.51 C=CCC(=O)NCc1ncco1 11a_100016994969_100000210193 [0,2,0,0,0,0|2,0,0]=4 2750 B12R1.51 C=CCC(=O)NCc1ncco1 1626a_100016994969_100000210193 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.51 C=CCC(=O)NCc1ncco1 240690a_100016994969_100000210193 [0,2,0,0,0,0|2,0,0]=4 2752 B12R1.51 C=CCC(=O)NCc1ncco1 527a_100016994969_100000210193 [0,2,0,0,0,0|2,0,0]=4 2753 B12R1.51 CC#CC(=O)CCc1cccs1 1458a_100000763181_100000748579 [0,2,0,0,0,0|1,1,0]=4 2754 B12R1.51 CC(CCO)OCc1ccco1 34a_100000210059_100009893172 [0,2,0,0,0,0|0,0,2]=4 2755 B12R1.51 CC=CC(=O)CCc1cccs1 1458a_100000210699_100000748579 [0,2,0,0,0,0|1,1,0]=4 2756 B12R1.51 CC=CC(=O)NCc1ccc[nH]1 11a_100000764082_100000210699 [0,2,0,0,0,0|2,0,0]=4 2757 B12R1.51 CC=CC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210699 [0,2,0,0,0,0|2,0,0]=4 2758 B12R1.51 CC=CC(=O)NCc1ccco1 11a_100000185738_100000210699 [0,2,0,0,0,0|1,0,0]=3 2759 B12R1.51 CC=CC(=O)NCc1ccco1 1626a_100000185738_100000210699 [0,2,0,0,0,0|1,0,0]=3 2760 B12R1.51 CC=CC(=O)NCc1ccco1 240690a_100000185738_100000210699 [0,2,0,0,0,0|1,0,0]=3 2761 B12R1.51 CC=CC(=O)NCc1cccs1 11a_100000211653_100000210699 [0,2,0,0,0,0|1,1,0]=4 2762 B12R1.51 CC=CC(=O)NCc1cccs1 1626a_100000211653_100000210699 [0,2,0,0,0,0|1,1,0]=4 2763 B12R1.51 CC=CC(=O)NCc1cccs1 240690a_100000211653_100000210699 [0,2,0,0,0,0|1,1,0]=4 2764 B12R1.51 CC=CC(=O)NCc1cnco1 11a_100020634212_100000210699 [0,2,0,0,0,0|2,0,0]=4 2765 B12R1.51 CC=CC(=O)NCc1cnco1 240690a_100020634212_100000210699 [0,2,0,0,0,0|2,0,0]=4 2766 B12R1.51 CC=CC(=O)NCc1ncco1 11a_100016994969_100000210699 [0,2,0,0,0,0|2,0,0]=4 2767 B12R1.51 CC=CC(=O)NCc1ncco1 1626a_100016994969_100000210699 [0,2,0,0,0,0|2,0,0]=4 2768 B12R1.51 CC=CC(=O)NCc1ncco1 240690a_100016994969_100000210699 [0,2,0,0,0,0|2,0,0]=4 2769 B12R1.51 CCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210303 [0,2,0,0,0,0|2,0,0]=4 2770 B12R1.51 CCCC(=O)CCc1ccco1 1458a_100000185103_100000210303 [0,2,0,0,0,0|1,0,0]=3 2771 B12R1.51 CCCC(=O)CCc1cccs1 1458a_100000185280_100000210303 [0,2,0,0,0,0|1,1,0]=4 2772 B12R1.51 CCCC(=O)CCc1cccs1 1458a_100000211992_100000748579 [0,2,0,0,0,0|1,1,0]=4 2773 B12R1.51 CCCC(=O)CSc1ccco1 62a_100000747444_100009814098 [0,2,0,0,0,0|2,0,0]=4 2774 B12R1.51 CCCC(=O)CSc1ccco1 62a_100009814098_100000747444 [0,2,0,0,0,0|2,0,0]=4 2775 B12R1.51 CCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000211992 [0,2,0,0,0,0|2,0,0]=4 2776 B12R1.51 CCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000211992 [0,2,0,0,0,0|2,0,0]=4 2777 B12R1.51 CCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000211992 [0,2,0,0,0,0|2,0,0]=4 2778 B12R1.51 CCCC(=O)NCc1ccco1 11a_100000185738_100000211992 [0,2,0,0,0,0|1,0,0]=3 2779 B12R1.51 CCCC(=O)NCc1ccco1 1626a_100000185738_100000211992 [0,2,0,0,0,0|1,0,0]=3 2780 B12R1.51 CCCC(=O)NCc1ccco1 240690a_100000185738_100000211992 [0,2,0,0,0,0|1,0,0]=3 2781 B12R1.51 CCCC(=O)NCc1ccco1 527a_100000185738_100000211992 [0,2,0,0,0,0|1,0,0]=3 2782 B12R1.51 CCCC(=O)NCc1cccs1 11a_100000211653_100000211992 [0,2,0,0,0,0|1,1,0]=4 2783 B12R1.51 CCCC(=O)NCc1cccs1 1626a_100000211653_100000211992 [0,2,0,0,0,0|1,1,0]=4 2784 B12R1.51 CCCC(=O)NCc1cccs1 240690a_100000211653_100000211992 [0,2,0,0,0,0|1,1,0]=4 2785 B12R1.51 CCCC(=O)NCc1cccs1 527a_100000211653_100000211992 [0,2,0,0,0,0|1,1,0]=4 2786 B12R1.51 CCCC(=O)NCc1cnco1 11a_100020634212_100000211992 [0,2,0,0,0,0|2,0,0]=4 2787 B12R1.51 CCCC(=O)NCc1cnco1 240690a_100020634212_100000211992 [0,2,0,0,0,0|2,0,0]=4 2788 B12R1.51 CCCC(=O)NCc1cnco1 527a_100020634212_100000211992 [0,2,0,0,0,0|2,0,0]=4 2789 B12R1.51 CCCC(=O)NCc1ncco1 11a_100016994969_100000211992 [0,2,0,0,0,0|2,0,0]=4 2790 B12R1.51 CCCC(=O)NCc1ncco1 1626a_100016994969_100000211992 [0,2,0,0,0,0|2,0,0]=4 2791 B12R1.51 CCCC(=O)NCc1ncco1 240690a_100016994969_100000211992 [0,2,0,0,0,0|2,0,0]=4 2792 B12R1.51 CCCC(=O)NCc1ncco1 527a_100016994969_100000211992 [0,2,0,0,0,0|2,0,0]=4 2793 B12R1.51 CCCC(C)OCc1ccco1 34a_100000210059_100000766640 [0,2,0,0,0,0|1,0,1]=4 2794 B12R1.51 CCNC(=O)CCc1ccc[nH]1 11a_100015525214_200011998680 [0,2,0,0,0,0|2,0,0]=4 2795 B12R1.51 CCNC(=O)CCc1ccc[nH]1 240690a_100015525214_200011998680 [0,2,0,0,0,0|2,0,0]=4 2796 B12R1.51 CCNC(=O)CCc1ccc[nH]1 527a_100015525214_200011998680 [0,2,0,0,0,0|2,0,0]=4 2797 B12R1.51 CCNC(=O)CCc1ccco1 11a_100015525214_100000185103 [0,2,0,0,0,0|1,0,0]=3 2798 B12R1.51 CCNC(=O)CCc1ccco1 527a_100015525214_100000185103 [0,2,0,0,0,0|1,0,0]=3 2799 B12R1.51 CCNC(=O)CCc1cccs1 11a_100015525214_100000185280 [0,2,0,0,0,0|1,1,0]=4 2800 B12R1.51 CCNC(=O)CCc1cccs1 240690a_100015525214_100000185280 [0,2,0,0,0,0|1,1,0]=4 2801 B12R1.51 CCNC(=O)CCc1cccs1 527a_100015525214_100000185280 [0,2,0,0,0,0|1,1,0]=4 2802 B12R1.51 CCNC(=O)CSc1ccco1 62a_100000183381_100009814098 [0,2,0,0,0,0|2,0,0]=4 2803 B12R1.51 CCNC(=O)CSc1ccco1 62a_100009814098_100000183381 [0,2,0,0,0,0|2,0,0]=4 2804 B12R1.51 CCNC(=O)NCc1ccc[nH]1 273464a_100000764082_100015525214 [0,2,0,0,0,0|2,0,0]=4 2805 B12R1.51 CCNC(=O)NCc1ccc[nH]1 273464a_100015525214_100000764082 [0,2,0,0,0,0|2,0,0]=4 2806 B12R1.51 CCNC(=O)NCc1ccc[nH]1 512a_100015525214_100000764082 [0,2,0,0,0,0|2,0,0]=4 2807 B12R1.51 CCNC(=O)NCc1ccco1 2708a_100000185738_100015525214 [0,2,0,0,0,0|1,0,0]=3 2808 B12R1.51 CCNC(=O)NCc1ccco1 2708a_100015525214_100000185738 [0,2,0,0,0,0|1,0,0]=3 2809 B12R1.51 CCNC(=O)NCc1ccco1 273464a_100000185738_100015525214 [0,2,0,0,0,0|1,0,0]=3 2810 B12R1.51 CCNC(=O)NCc1ccco1 512a_100000185738_100015525214 [0,2,0,0,0,0|1,0,0]=3 2811 B12R1.51 CCNC(=O)NCc1ccco1 512a_100015525214_100000185738 [0,2,0,0,0,0|1,0,0]=3 2812 B12R1.51 CCNC(=O)NCc1cccs1 2708a_100000211653_100015525214 [0,2,0,0,0,0|1,1,0]=4 2813 B12R1.51 CCNC(=O)NCc1cccs1 2708a_100015525214_100000211653 [0,2,0,0,0,0|1,1,0]=4 2814 B12R1.51 CCNC(=O)NCc1cccs1 273464a_100000211653_100015525214 [0,2,0,0,0,0|1,1,0]=4 2815 B12R1.51 CCNC(=O)NCc1cccs1 273464a_100015525214_100000211653 [0,2,0,0,0,0|1,1,0]=4 2816 B12R1.51 CCNC(=O)NCc1cccs1 512a_100000211653_100015525214 [0,2,0,0,0,0|1,1,0]=4 2817 B12R1.51 CCNC(=O)NCc1cccs1 512a_100015525214_100000211653 [0,2,0,0,0,0|1,1,0]=4 2818 B12R1.51 CCNC(=O)NCc1cnco1 2708a_100015525214_100020634212 [0,2,0,0,0,0|2,0,0]=4 2819 B12R1.51 CCNC(=O)NCc1cnco1 2708a_100020634212_100015525214 [0,2,0,0,0,0|2,0,0]=4 2820 B12R1.51 CCNC(=O)NCc1cnco1 273464a_100015525214_100020634212 [0,2,0,0,0,0|2,0,0]=4 2821 B12R1.51 CCNC(=O)NCc1cnco1 273464a_100020634212_100015525214 [0,2,0,0,0,0|2,0,0]=4 2822 B12R1.51 CCNC(=O)NCc1cnco1 512a_100015525214_100020634212 [0,2,0,0,0,0|2,0,0]=4 2823 B12R1.51 CCNC(=O)NCc1cnco1 512a_100020634212_100015525214 [0,2,0,0,0,0|2,0,0]=4 2824 B12R1.51 CCNC(=O)NCc1ncco1 2708a_100015525214_100016994969 [0,2,0,0,0,0|2,0,0]=4 2825 B12R1.51 CCNC(=O)NCc1ncco1 2708a_100016994969_100015525214 [0,2,0,0,0,0|2,0,0]=4 2826 B12R1.51 CCNC(=O)NCc1ncco1 273464a_100015525214_100016994969 [0,2,0,0,0,0|2,0,0]=4 2827 B12R1.51 CCNC(=O)NCc1ncco1 273464a_100016994969_100015525214 [0,2,0,0,0,0|2,0,0]=4 2828 B12R1.51 CCNC(=O)NCc1ncco1 512a_100015525214_100016994969 [0,2,0,0,0,0|2,0,0]=4 2829 B12R1.51 CCNC(=O)NCc1ncco1 512a_100016994969_100015525214 [0,2,0,0,0,0|2,0,0]=4 2830 B12R1.51 CCOC(=O)C=Cc1ccco1 271570a_100010199719_100009814098 [0,2,0,0,0,0|1,0,1]=4 2831 B12R1.51 CCOC(=O)CSc1ccco1 62a_100000188475_100009814098 [0,2,0,0,0,0|2,0,0]=4 2832 B12R1.51 CCOC(=O)CSc1ccco1 62a_100009814098_100000188475 [0,2,0,0,0,0|2,0,0]=4 2833 B12R1.51 CNCC(=O)NCc1ccco1 2230a_100000741066_200000210301 [0,2,0,0,0,0|1,0,0]=3 2834 B12R1.51 CNCC(=O)NCc1ccco1 2230a_106832991635_100000183421 [0,2,0,0,0,0|1,0,0]=3 2835 B12R1.51 CNCC(=O)NCc1ccco1 34a_100102657272_100000183421 [0,2,0,0,0,0|1,0,0]=3 2836 B12R1.51 CNCC(=O)NCc1ccco1 7a_106832991635_100000183421 [0,2,0,0,0,0|1,0,0]=3 2837 B12R1.51 CNCC(=O)NCc1cccs1 2230a_106832991635_100000182718 [0,2,0,0,0,0|1,1,0]=4 2838 B12R1.51 CNCC(=O)NCc1cccs1 34a_100102657272_100000182718 [0,2,0,0,0,0|1,1,0]=4 2839 B12R1.51 CNCC(=O)NCc1cccs1 7a_106832991635_100000182718 [0,2,0,0,0,0|1,1,0]=4 2840 B12R1.51 CNNC(=O)C=Cc1ccco1 22a_100016993582_100000720202 [0,2,0,0,0,0|1,0,1]=4 2841 B12R1.51 CNNC(=O)CCc1ccc[nH]1 22a_100016993582_200011998680 [0,2,0,0,0,0|2,0,0]=4 2842 B12R1.51 CNNC(=O)CCc1ccco1 22a_100016993582_100000185103 [0,2,0,0,0,0|1,0,0]=3 2843 B12R1.51 CNNC(=O)CCc1cccs1 22a_100016993582_100000185280 [0,2,0,0,0,0|1,1,0]=4 2844 B12R1.51 CNNC(=O)NCc1ccc[nH]1 273464a_100000764082_100016993582 [0,2,0,0,0,0|2,0,0]=4 2845 B12R1.51 CNNC(=O)NCc1ccc[nH]1 512a_100016993582_100000764082 [0,2,0,0,0,0|2,0,0]=4 2846 B12R1.51 CNNC(=O)NCc1ccco1 273464a_100000185738_100016993582 [0,2,0,0,0,0|1,0,0]=3 2847 B12R1.51 CNNC(=O)NCc1ccco1 512a_100000185738_100016993582 [0,2,0,0,0,0|1,0,0]=3 2848 B12R1.51 CNNC(=O)NCc1ccco1 512a_100016993582_100000185738 [0,2,0,0,0,0|1,0,0]=3 2849 B12R1.51 CNNC(=O)NCc1cccs1 273464a_100000211653_100016993582 [0,2,0,0,0,0|1,1,0]=4 2850 B12R1.51 CNNC(=O)NCc1cccs1 512a_100000211653_100016993582 [0,2,0,0,0,0|1,1,0]=4 2851 B12R1.51 CNNC(=O)NCc1cccs1 512a_100016993582_100000211653 [0,2,0,0,0,0|1,1,0]=4 2852 B12R1.51 CNNC(=O)NCc1cnco1 273464a_100020634212_100016993582 [0,2,0,0,0,0|2,0,0]=4 2853 B12R1.51 CNNC(=O)NCc1cnco1 512a_100016993582_100020634212 [0,2,0,0,0,0|2,0,0]=4 2854 B12R1.51 CNNC(=O)NCc1cnco1 512a_100020634212_100016993582 [0,2,0,0,0,0|2,0,0]=4 2855 B12R1.51 CNNC(=O)NCc1ncco1 273464a_100016994969_100016993582 [0,2,0,0,0,0|2,0,0]=4 2856 B12R1.51 CNNC(=O)NCc1ncco1 512a_100016993582_100016994969 [0,2,0,0,0,0|2,0,0]=4 2857 B12R1.51 CNNC(=O)NCc1ncco1 512a_100016994969_100016993582 [0,2,0,0,0,0|2,0,0]=4 2858 B12R1.51 COCC(=O)CCc1cccs1 1458a_100000210968_100000748579 [0,2,0,0,0,0|1,1,0]=4 2859 B12R1.51 COCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210968 [0,2,0,0,0,0|2,0,0]=4 2860 B12R1.51 COCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210968 [0,2,0,0,0,0|2,0,0]=4 2861 B12R1.51 COCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210968 [0,2,0,0,0,0|2,0,0]=4 2862 B12R1.51 COCC(=O)NCc1ccco1 11a_100000185738_100000210968 [0,2,0,0,0,0|1,0,0]=3 2863 B12R1.51 COCC(=O)NCc1ccco1 1626a_100000185738_100000210968 [0,2,0,0,0,0|1,0,0]=3 2864 B12R1.51 COCC(=O)NCc1ccco1 240690a_100000185738_100000210968 [0,2,0,0,0,0|1,0,0]=3 2865 B12R1.51 COCC(=O)NCc1ccco1 34a_100138415774_100000183421 [0,2,0,0,0,0|1,0,0]=3 2866 B12R1.51 COCC(=O)NCc1ccco1 527a_100000185738_100000210968 [0,2,0,0,0,0|1,0,0]=3 2867 B12R1.51 COCC(=O)NCc1cccs1 11a_100000211653_100000210968 [0,2,0,0,0,0|1,1,0]=4 2868 B12R1.51 COCC(=O)NCc1cccs1 1626a_100000211653_100000210968 [0,2,0,0,0,0|1,1,0]=4 2869 B12R1.51 COCC(=O)NCc1cccs1 240690a_100000211653_100000210968 [0,2,0,0,0,0|1,1,0]=4 2870 B12R1.51 COCC(=O)NCc1cccs1 34a_100138415774_100000182718 [0,2,0,0,0,0|1,1,0]=4 2871 B12R1.51 COCC(=O)NCc1cccs1 527a_100000211653_100000210968 [0,2,0,0,0,0|1,1,0]=4 2872 B12R1.51 COCC(=O)NCc1cnco1 11a_100020634212_100000210968 [0,2,0,0,0,0|2,0,0]=4 2873 B12R1.51 COCC(=O)NCc1cnco1 240690a_100020634212_100000210968 [0,2,0,0,0,0|2,0,0]=4 2874 B12R1.51 COCC(=O)NCc1cnco1 527a_100020634212_100000210968 [0,2,0,0,0,0|2,0,0]=4 2875 B12R1.51 COCC(=O)NCc1ncco1 11a_100016994969_100000210968 [0,2,0,0,0,0|2,0,0]=4 2876 B12R1.51 COCC(=O)NCc1ncco1 1626a_100016994969_100000210968 [0,2,0,0,0,0|2,0,0]=4 2877 B12R1.51 COCC(=O)NCc1ncco1 240690a_100016994969_100000210968 [0,2,0,0,0,0|2,0,0]=4 2878 B12R1.51 COCC(=O)NCc1ncco1 527a_100016994969_100000210968 [0,2,0,0,0,0|2,0,0]=4 2879 B12R1.51 COCC(C)OCc1ccco1 34a_100000210059_100000765312 [0,2,0,0,0,0|0,0,2]=4 2880 B12R1.51 CSCC(=O)CCc1cccs1 1458a_100000184570_100000748579 [0,2,0,0,0,0|1,1,0]=4 2881 B12R1.51 CSCC(=O)NCc1ccc[nH]1 11a_100000764082_100000184570 [0,2,0,0,0,0|2,0,0]=4 2882 B12R1.51 CSCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000184570 [0,2,0,0,0,0|2,0,0]=4 2883 B12R1.51 CSCC(=O)NCc1ccc[nH]1 527a_100000764082_100000184570 [0,2,0,0,0,0|2,0,0]=4 2884 B12R1.51 CSCC(=O)NCc1ccco1 11a_100000185738_100000184570 [0,2,0,0,0,0|1,0,0]=3 2885 B12R1.51 CSCC(=O)NCc1ccco1 1626a_100000185738_100000184570 [0,2,0,0,0,0|1,0,0]=3 2886 B12R1.51 CSCC(=O)NCc1ccco1 240690a_100000185738_100000184570 [0,2,0,0,0,0|1,0,0]=3 2887 B12R1.51 CSCC(=O)NCc1ccco1 527a_100000185738_100000184570 [0,2,0,0,0,0|1,0,0]=3 2888 B12R1.51 CSCC(=O)NCc1ccco1 62a_100000183421_200000210301 [0,2,0,0,0,0|1,0,0]=3 2889 B12R1.51 CSCC(=O)NCc1ccco1 62a_200000210301_100000183421 [0,2,0,0,0,0|1,0,0]=3 2890 B12R1.51 CSCC(=O)NCc1cccs1 11a_100000211653_100000184570 [0,2,0,0,0,0|1,1,0]=4 2891 B12R1.51 CSCC(=O)NCc1cccs1 1626a_100000211653_100000184570 [0,2,0,0,0,0|1,1,0]=4 2892 B12R1.51 CSCC(=O)NCc1cccs1 240690a_100000211653_100000184570 [0,2,0,0,0,0|1,1,0]=4 2893 B12R1.51 CSCC(=O)NCc1cccs1 527a_100000211653_100000184570 [0,2,0,0,0,0|1,1,0]=4 2894 B12R1.51 CSCC(=O)NCc1cccs1 62a_100000182718_200000210301 [0,2,0,0,0,0|1,1,0]=4 2895 B12R1.51 CSCC(=O)NCc1cccs1 62a_200000210301_100000182718 [0,2,0,0,0,0|1,1,0]=4 2896 B12R1.51 CSCC(=O)NCc1cnco1 11a_100020634212_100000184570 [0,2,0,0,0,0|2,0,0]=4 2897 B12R1.51 CSCC(=O)NCc1cnco1 240690a_100020634212_100000184570 [0,2,0,0,0,0|2,0,0]=4 2898 B12R1.51 CSCC(=O)NCc1cnco1 527a_100020634212_100000184570 [0,2,0,0,0,0|2,0,0]=4 2899 B12R1.51 CSCC(=O)NCc1ncco1 11a_100016994969_100000184570 [0,2,0,0,0,0|2,0,0]=4 2900 B12R1.51 CSCC(=O)NCc1ncco1 1626a_100016994969_100000184570 [0,2,0,0,0,0|2,0,0]=4 2901 B12R1.51 CSCC(=O)NCc1ncco1 240690a_100016994969_100000184570 [0,2,0,0,0,0|2,0,0]=4 2902 B12R1.51 CSCC(=O)NCc1ncco1 527a_100016994969_100000184570 [0,2,0,0,0,0|2,0,0]=4 2903 B12R1.51 N#CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100011214920 [0,2,0,0,0,0|2,0,0]=4 2904 B12R1.51 N#CCC(=O)CCc1ccco1 1458a_100000185103_100011214920 [0,2,0,0,0,0|1,0,0]=3 2905 B12R1.51 N#CCC(=O)CCc1cccs1 1458a_100000185280_100011214920 [0,2,0,0,0,0|1,1,0]=4 2906 B12R1.51 N#CCC(=O)CCc1cccs1 1458a_100051588842_100000748579 [0,2,0,0,0,0|1,1,0]=4 2907 B12R1.51 N#CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100051588842 [0,2,0,0,0,0|2,0,0]=4 2908 B12R1.51 N#CCC(=O)NCc1ccco1 1626a_100000185738_100051588842 [0,2,0,0,0,0|1,0,0]=3 2909 B12R1.51 N#CCC(=O)NCc1ccco1 240690a_100000185738_100051588842 [0,2,0,0,0,0|1,0,0]=3 2910 B12R1.51 N#CCC(=O)NCc1cccs1 1626a_100000211653_100051588842 [0,2,0,0,0,0|1,1,0]=4 2911 B12R1.51 N#CCC(=O)NCc1cccs1 240690a_100000211653_100051588842 [0,2,0,0,0,0|1,1,0]=4 2912 B12R1.51 N#CCC(=O)NCc1cnco1 240690a_100020634212_100051588842 [0,2,0,0,0,0|2,0,0]=4 2913 B12R1.51 N#CCC(=O)NCc1ncco1 1626a_100016994969_100051588842 [0,2,0,0,0,0|2,0,0]=4 2914 B12R1.51 N#CCC(=O)NCc1ncco1 240690a_100016994969_100051588842 [0,2,0,0,0,0|2,0,0]=4 2915 B12R1.51 O=C(C=CBr)NCc1ccco1 1626a_100000185738_100016273825 [0,2,0,0,0,0|1,0,1]=4 2916 B12R1.51 O=C(C=CBr)NCc1ccco1 240690a_100000185738_100016273825 [0,2,0,0,0,0|1,0,1]=4 2917 B12R1.51 O=C(C=CCl)NCc1ccco1 11a_100000185738_200016279998 [0,2,0,0,0,0|1,0,1]=4 2918 B12R1.51 O=C(C=CCl)NCc1ccco1 1626a_100000185738_200016279998 [0,2,0,0,0,0|1,0,1]=4 2919 B12R1.51 O=C(C=CCl)NCc1ccco1 240690a_100000185738_200016279998 [0,2,0,0,0,0|1,0,1]=4 2920 B12R1.51 O=C(C=CI)NCc1ccco1 1626a_100000185738_100016256311 [0,2,0,0,0,0|1,0,1]=4 2921 B12R1.51 O=C(CCF)CCc1ccc[nH]1 1458a_200011998680_100011217306 [0,2,0,0,0,0|2,0,0]=4 2922 B12R1.51 O=C(CCF)CCc1ccco1 1458a_100000185103_100011217306 [0,2,0,0,0,0|1,0,0]=3 2923 B12R1.51 O=C(CCF)CCc1cccs1 1458a_100000185280_100011217306 [0,2,0,0,0,0|1,1,0]=4 2924 B12R1.51 O=C(CCO)CCc1ccc[nH]1 1458a_200011998680_100000211926 [0,2,0,0,0,0|2,0,0]=4 2925 B12R1.51 O=C(CCO)CCc1ccco1 1458a_100000185103_100000211926 [0,2,0,0,0,0|1,0,0]=3 2926 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100000185280_100000211926 [0,2,0,0,0,0|1,1,0]=4 2927 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100011216618_100000748579 [0,2,0,0,0,0|1,1,0]=4 2928 B12R1.51 O=C(CCO)NCc1ccc[nH]1 240690a_100000764082_100011216618 [0,2,0,0,0,0|2,0,0]=4 2929 B12R1.51 O=C(CCO)NCc1ccco1 240690a_100000185738_100011216618 [0,2,0,0,0,0|1,0,0]=3 2930 B12R1.51 O=C(CCO)NCc1cccs1 240690a_100000211653_100011216618 [0,2,0,0,0,0|1,1,0]=4 2931 B12R1.51 O=C(CCO)NCc1cnco1 240690a_100020634212_100011216618 [0,2,0,0,0,0|2,0,0]=4 2932 B12R1.51 O=C(CCO)NCc1ncco1 240690a_100016994969_100011216618 [0,2,0,0,0,0|2,0,0]=4 2933 B12R1.51 O=C(CSc1ccco1)NCO 62a_100000185155_100009814098 [0,2,0,0,0,0|2,0,0]=4 2934 B12R1.51 O=C(CSc1ccco1)NCO 62a_100009814098_100000185155 [0,2,0,0,0,0|2,0,0]=4 2935 B12R1.51 [13CH3]NCC(=O)NCc1ccco1 2230a_100000741066_200025704644 [0,2,0,0,0,0|1,0,0]=3 2936 B12R1.51 [13CH3]SCC(=O)NCc1ccco1 62a_100000183421_200025704644 [0,2,0,0,0,0|1,0,0]=3 2937 B12R1.51 [13CH3]SCC(=O)NCc1ccco1 62a_200025704644_100000183421 [0,2,0,0,0,0|1,0,0]=3 2938 B12R1.51 [13CH3]SCC(=O)NCc1cccs1 62a_100000182718_200025704644 [0,2,0,0,0,0|1,1,0]=4 2939 B12R1.51 [13CH3]SCC(=O)NCc1cccs1 62a_200025704644_100000182718 [0,2,0,0,0,0|1,1,0]=4 2940 B12R1.108 C=CC(=O)N(C)Cc1ccco1 240690a_100000185268_200121576911 [0,2,0,0,0,0|1,0,1]=4 2941 B12R1.108 CC(=Cc1ccco1)C(=O)CF 1458a_100011995979_100015361967 [0,2,0,0,0,0|1,0,1]=4 2942 B12R1.108 CCC(=O)C(=Cc1ccco1)C 1458a_100011995979_100000210202 [0,2,0,0,0,0|1,0,1]=4 2943 B12R1.108 CCC(=O)C(C)Sc1ccco1 62a_100000742827_100009814098 [0,2,0,0,0,0|2,0,0]=4 2944 B12R1.108 CCC(=O)C(C)Sc1ccco1 62a_100009814098_100000742827 [0,2,0,0,0,0|2,0,0]=4 2945 B12R1.108 CCC(=O)N(C)Cc1ccco1 11a_100000185268_100000210414 [0,2,0,0,0,0|1,0,0]=3 2946 B12R1.108 CCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000210414 [0,2,0,0,0,0|1,0,0]=3 2947 B12R1.108 CCC(=O)N(C)Cc1ccco1 527a_100000185268_100000210414 [0,2,0,0,0,0|1,0,0]=3 2948 B12R1.108 CCC(=O)N(C)Cc1cccs1 11a_100000184426_100000210414 [0,2,0,0,0,0|1,1,0]=4 2949 B12R1.108 CCC(=O)N(C)Cc1cccs1 240690a_100000184426_100000210414 [0,2,0,0,0,0|1,1,0]=4 2950 B12R1.108 CCC(=O)N(C)Cc1cccs1 527a_100000184426_100000210414 [0,2,0,0,0,0|1,1,0]=4 2951 B12R1.108 CN(Cc1ccco1)C(=O)CO 240690a_100000185268_100000210174 [0,2,0,0,0,0|1,0,0]=3 2952 B12R1.108 CN(Cc1ccco1)C(=O)CO 527a_100000185268_100000210174 [0,2,0,0,0,0|1,0,0]=3 2953 B12R1.108 CN(Cc1cccs1)C(=O)CO 240690a_100000184426_100000210174 [0,2,0,0,0,0|1,1,0]=4 2954 B12R1.108 CN(Cc1cccs1)C(=O)CO 527a_100000184426_100000210174 [0,2,0,0,0,0|1,1,0]=4 2955 B12R1.108 CNC(=O)C(=Cc1ccco1)C 11a_106832991635_100011995979 [0,2,0,0,0,0|1,0,1]=4 2956 B12R1.108 CNC(=O)C(=Cc1ccco1)C 1626a_100102657272_100011995979 [0,2,0,0,0,0|1,0,1]=4 2957 B12R1.108 CNC(=O)C(=Cc1ccco1)C 527a_100102657272_100011995979 [0,2,0,0,0,0|1,0,1]=4 2958 B12R1.108 CNC(=O)C(=O)Cc1ncco1 1458a_100011218921_103436540062 [0,2,0,0,0,0|2,0,0]=4 2959 B12R1.108 CNC(=O)C(C)Sc1ccco1 62a_100000209862_100009814098 [0,2,0,0,0,0|2,0,0]=4 2960 B12R1.108 CNC(=O)C(C)Sc1ccco1 62a_100009814098_100000731044 [0,2,0,0,0,0|2,0,0]=4 2961 B12R1.108 CNC(=O)C(F)Sc1ccco1 62a_100009813575_100009814098 [0,2,0,0,0,0|2,0,0]=4 2962 B12R1.108 CNC(=O)C(F)Sc1ccco1 62a_100009814098_100009813575 [0,2,0,0,0,0|2,0,0]=4 2963 B12R1.108 CNC(=O)N(C)Cc1ccco1 2708a_100102657272_100000185268 [0,2,0,0,0,0|1,0,0]=3 2964 B12R1.108 CNC(=O)N(C)Cc1cccs1 2708a_100102657272_100000184426 [0,2,0,0,0,0|1,1,0]=4 2965 B12R1.108 COC(=O)C(C)Sc1ccco1 62a_100000211248_100009814098 [0,2,0,0,0,0|2,0,0]=4 2966 B12R1.108 COC(=O)C(C)Sc1ccco1 62a_100009814098_100000211248 [0,2,0,0,0,0|2,0,0]=4 2967 B12R1.196 C#CC(C)(C)OCc1ccco1 34a_100000210059_100000038118 [0,2,0,0,0,0|1,0,1]=4 2968 B12R1.196 CC(C)(C#N)OCc1ccco1 34a_100000210059_100011162410 [0,2,0,0,0,0|1,0,1]=4 2969 B12R1.196 CCS(=O)(=O)NCc1ccco1 270084a_100000185738_100000211323 [0,2,0,0,0,0|2,0,0]=4 2970 B12R1.196 CCS(=O)(=O)NCc1ccco1 274078a_100000185738_100000211323 [0,2,0,0,0,0|2,0,0]=4 2971 B12R1.196 CCS(=O)(=O)NCc1ccco1 40a_100000185738_100000053943 [0,2,0,0,0,0|2,0,0]=4 2972 B12R1.196 O=S(=O)(CCl)NCc1ccco1 270084a_100000185738_100000031410 [0,2,0,0,0,0|2,0,0]=4 2973 B12R1.196 O=S(=O)(CCl)NCc1ccco1 274078a_100000185738_100000031410 [0,2,0,0,0,0|2,0,0]=4 2974 B12R1.297 O=CC(C=O)OCc1ccco1 34a_100000210059_100000736813 [0,2,0,0,0,0|0,0,2]=4 2975 B12R1.353 C#CC(C)OCc1occc1C 34a_100011273948_200000035995 [0,2,0,0,0,0|1,0,1]=4 2976 B12R1.353 CCC(=O)NCc1cccn1C 11a_100011219357_100000210414 [0,2,0,0,0,0|2,0,0]=4 2977 B12R1.353 CCC(=O)NCc1cccn1C 1626a_100011219357_100000210414 [0,2,0,0,0,0|2,0,0]=4 2978 B12R1.353 CCC(=O)NCc1cccn1C 240690a_100011219357_100000210414 [0,2,0,0,0,0|2,0,0]=4 2979 B12R1.353 CCC(=O)NCc1cccn1C 527a_100011219357_100000210414 [0,2,0,0,0,0|2,0,0]=4 2980 B12R1.353 CCC(=O)NCc1sccc1C 11a_100000238519_100000210414 [0,2,0,0,0,0|1,1,0]=4 2981 B12R1.353 CCC(=O)NCc1sccc1C 1626a_100000238519_100000210414 [0,2,0,0,0,0|1,1,0]=4 2982 B12R1.353 CCC(=O)NCc1sccc1C 240690a_100000238519_100000210414 [0,2,0,0,0,0|1,1,0]=4 2983 B12R1.353 CCC(=O)NCc1sccc1C 527a_100000238519_100000210414 [0,2,0,0,0,0|1,1,0]=4 2984 B12R1.353 CCC(=O)NCc1sccc1Cl 11a_100011934584_100000210414 [0,2,0,0,0,0|1,1,0]=4 2985 B12R1.353 CCC(=O)NCc1sccc1Cl 1626a_100011934584_100000210414 [0,2,0,0,0,0|1,1,0]=4 2986 B12R1.353 CCC(=O)NCc1sccc1Cl 240690a_100011934584_100000210414 [0,2,0,0,0,0|1,1,0]=4 2987 B12R1.353 CCC(=O)NCc1sccc1Cl 527a_100011934584_100000210414 [0,2,0,0,0,0|1,1,0]=4 2988 B12R1.353 CCC(C)OCc1occc1C 34a_100011273948_100011215416 [0,2,0,0,0,0|1,0,1]=4 2989 B12R1.353 CCC(C)OCc1occc1C 7a_100011273948_100000758301 [0,2,0,0,0,0|1,0,1]=4 2990 B12R1.353 CNC(=O)NCc1cccn1C 2708a_100011219357_106832991635 [0,2,0,0,0,0|2,0,0]=4 2991 B12R1.353 CNC(=O)NCc1cccn1C 2708a_100102657272_100011219357 [0,2,0,0,0,0|2,0,0]=4 2992 B12R1.353 CNC(=O)NCc1cccn1C 273464a_100011219357_100102657272 [0,2,0,0,0,0|2,0,0]=4 2993 B12R1.353 CNC(=O)NCc1cccn1C 273464a_100102657272_100011219357 [0,2,0,0,0,0|2,0,0]=4 2994 B12R1.353 CNC(=O)NCc1cccn1C 512a_100011219357_100102657272 [0,2,0,0,0,0|2,0,0]=4 2995 B12R1.353 CNC(=O)NCc1cccn1C 512a_106832991638_100011219357 [0,2,0,0,0,0|2,0,0]=4 2996 B12R1.353 CNC(=O)NCc1sccc1C 2708a_100000238519_106832991635 [0,2,0,0,0,0|1,1,0]=4 2997 B12R1.353 CNC(=O)NCc1sccc1C 2708a_100102657272_100000238519 [0,2,0,0,0,0|1,1,0]=4 2998 B12R1.353 CNC(=O)NCc1sccc1C 273464a_100000238519_100102657272 [0,2,0,0,0,0|1,1,0]=4 2999 B12R1.353 CNC(=O)NCc1sccc1C 273464a_100102657272_100000238519 [0,2,0,0,0,0|1,1,0]=4 3000 B12R1.353 CNC(=O)NCc1sccc1C 512a_100000238519_100102657272 [0,2,0,0,0,0|1,1,0]=4 3001 B12R1.353 CNC(=O)NCc1sccc1C 512a_106832991638_100000238519 [0,2,0,0,0,0|1,1,0]=4 3002 B12R1.353 CNC(=O)NCc1sccc1Cl 2708a_100011934584_106832991635 [0,2,0,0,0,0|1,1,0]=4 3003 B12R1.353 CNC(=O)NCc1sccc1Cl 2708a_100102657272_100011934584 [0,2,0,0,0,0|1,1,0]=4 3004 B12R1.353 CNC(=O)NCc1sccc1Cl 273464a_100011934584_100102657272 [0,2,0,0,0,0|1,1,0]=4 3005 B12R1.353 CNC(=O)NCc1sccc1Cl 273464a_100102657272_100011934584 [0,2,0,0,0,0|1,1,0]=4 3006 B12R1.353 CNC(=O)NCc1sccc1Cl 512a_100011934584_100102657272 [0,2,0,0,0,0|1,1,0]=4 3007 B12R1.353 CNC(=O)NCc1sccc1Cl 512a_106832991638_100011934584 [0,2,0,0,0,0|1,1,0]=4 3008 B12R1.353 Cc1ccoc1COC(C)C#N 7a_100011273948_100000703298 [0,2,0,0,0,0|1,0,1]=4 3009 B12R1.353 Cc1ccoc1COC(C)CO 34a_100011273948_100012180447 [0,2,0,0,0,0|0,0,2]=4 3010 B12R1.353 Cc1ccoc1COC(C)CO 7a_100011273948_100012180447 [0,2,0,0,0,0|0,0,2]=4 3011 B12R1.353 Cc1ccsc1CNC(=O)CO 240690a_100000238519_100000210174 [0,2,0,0,0,0|1,1,0]=4 3012 B12R1.353 Cc1ccsc1CNC(=O)CO 527a_100000238519_100000210174 [0,2,0,0,0,0|1,1,0]=4 3013 B12R1.353 Cn1cccc1CNC(=O)CO 240690a_100011219357_100000210174 [0,2,0,0,0,0|2,0,0]=4 3014 B12R1.353 Cn1cccc1CNC(=O)CO 527a_100011219357_100000210174 [0,2,0,0,0,0|2,0,0]=4 3015 B12R1.353 O=C(CO)NCc1sccc1Cl 240690a_100011934584_100000210174 [0,2,0,0,0,0|1,1,0]=4 3016 B12R1.353 O=C(CO)NCc1sccc1Cl 527a_100011934584_100000210174 [0,2,0,0,0,0|1,1,0]=4 3017 B12R1.104 CC(=O)N(C)Cc1cc(cs1)Br 11a_100000207611_100015343762 [0,2,0,0,0,0|1,1,0]=4 3018 B12R1.104 CC(=O)N(C)Cc1cc(cs1)Br 240690a_100000207611_100015343762 [0,2,0,0,0,0|1,1,0]=4 3019 B12R1.104 CC(=O)N(C)Cc1cc(cs1)Br 527a_100000207611_100103153847 [0,2,0,0,0,0|1,1,0]=4 3020 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 11a_100011502060_100015343762 [0,2,0,0,0,0|1,1,0]=4 3021 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 1626a_100011502060_100015343762 [0,2,0,0,0,0|1,1,0]=4 3022 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 240690a_100011502060_100015343762 [0,2,0,0,0,0|1,1,0]=4 3023 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 527a_100011502060_100103153847 [0,2,0,0,0,0|1,1,0]=4 3024 B12R1.104 CC(=O)N(C)Cc1ccc(o1)Br 240690a_100000207588_100015343762 [0,2,0,0,0,0|1,0,0]=3 3025 B12R1.104 CC(=O)N(C)Cc1ccc(o1)Br 527a_100000207588_100103153847 [0,2,0,0,0,0|1,0,0]=3 3026 B12R1.104 CC(=O)N(C)Cc1ccc(o1)C 1626a_100000184526_100015343762 [0,2,0,0,0,0|1,0,0]=3 3027 B12R1.104 CC(=O)N(C)Cc1ccc(o1)C 527a_100000184526_100103153847 [0,2,0,0,0,0|1,0,0]=3 3028 B12R1.104 CC(=O)N(C)Cc1ccc(s1)C 11a_100000751125_100015343762 [0,2,0,0,0,0|1,1,0]=4 3029 B12R1.104 CC(=O)N(C)Cc1ccc(s1)C 1626a_100000751125_100015343762 [0,2,0,0,0,0|1,1,0]=4 3030 B12R1.104 CC(=O)N(C)Cc1ccc(s1)C 527a_100000751125_100103153847 [0,2,0,0,0,0|1,1,0]=4 3031 B12R1.120 CC(=O)N(C)C(C)c1ccco1 11a_100000232712_100015343762 [0,2,0,0,0,0|1,0,0]=3 3032 B12R1.120 CC(=O)N(C)C(C)c1ccco1 1626a_100000232712_100015343762 [0,2,0,0,0,0|1,0,0]=3 3033 B12R1.120 CC(=O)N(C)C(C)c1ccco1 240690a_100000232712_100015343762 [0,2,0,0,0,0|1,0,0]=3 3034 B12R1.120 CC(=O)N(C)C(C)c1ccco1 527a_100000232712_100103153847 [0,2,0,0,0,0|1,0,0]=3 3035 B12R1.120 CC(=O)N(C)C(C)c1cccs1 1626a_100000186410_100015343762 [0,2,0,0,0,0|1,1,0]=4 3036 B12R1.120 CC(=O)N(C)C(C)c1cccs1 240690a_100000186410_100015343762 [0,2,0,0,0,0|1,1,0]=4 3037 B12R1.120 CC(=O)N(C)C(C)c1cccs1 527a_100000186410_100103153847 [0,2,0,0,0,0|1,1,0]=4 3038 B12R1.145 CC(=O)N(C)Cc1cccn1C 11a_100000188278_100015343762 [0,2,0,0,0,0|2,0,0]=4 3039 B12R1.145 CC(=O)N(C)Cc1cccn1C 527a_100000188278_100103153847 [0,2,0,0,0,0|2,0,0]=4 3040 B12R1.145 CC(=O)N(C)Cc1occc1C 11a_100000734364_100015343762 [0,2,0,0,0,0|1,0,0]=3 3041 B12R1.145 CC(=O)N(C)Cc1occc1C 1626a_100000734364_100015343762 [0,2,0,0,0,0|1,0,0]=3 3042 B12R1.145 CC(=O)N(C)Cc1occc1C 240690a_100000734364_100015343762 [0,2,0,0,0,0|1,0,0]=3 3043 B12R1.145 CC(=O)N(C)Cc1occc1C 527a_100000734364_100103153847 [0,2,0,0,0,0|1,0,0]=3 3044 B12R1.145 CC(=O)N(C)Cc1sccc1Br 11a_100000767120_100015343762 [0,2,0,0,0,0|1,1,0]=4 3045 B12R1.145 CC(=O)N(C)Cc1sccc1Br 1626a_100000767120_100015343762 [0,2,0,0,0,0|1,1,0]=4 3046 B12R1.145 CC(=O)N(C)Cc1sccc1Br 240690a_100000767120_100015343762 [0,2,0,0,0,0|1,1,0]=4 3047 B12R1.145 CC(=O)N(C)Cc1sccc1Br 527a_100000767120_100103153847 [0,2,0,0,0,0|1,1,0]=4 3048 B12R1.145 CC(=O)N(C)Cc1sccc1C 11a_100000695154_100015343762 [0,2,0,0,0,0|1,1,0]=4 3049 B12R1.145 CC(=O)N(C)Cc1sccc1C 1626a_100000695154_100015343762 [0,2,0,0,0,0|1,1,0]=4 3050 B12R1.145 CC(=O)N(C)Cc1sccc1C 240690a_100000695154_100015343762 [0,2,0,0,0,0|1,1,0]=4 3051 B12R1.145 CC(=O)N(C)Cc1sccc1C 527a_100000695154_100103153847 [0,2,0,0,0,0|1,1,0]=4 3052 B12R1.266 CN(Cc1ccco1)S(=O)(=O)C 40a_100000185268_100000738038 [0,2,0,0,0,0|2,0,0]=4 3053 B12R1.298 CCN(Cc1ccco1)C(=O)C 11a_100000739255_100015343762 [0,2,0,0,0,0|1,0,0]=3 3054 B12R1.298 CCN(Cc1ccco1)C(=O)C 1626a_100000739255_100015343762 [0,2,0,0,0,0|1,0,0]=3 3055 B12R1.298 CCN(Cc1ccco1)C(=O)C 240690a_100000739255_100015343762 [0,2,0,0,0,0|1,0,0]=3 3056 B12R1.298 CCN(Cc1ccco1)C(=O)C 527a_100000739255_100103153847 [0,2,0,0,0,0|1,0,0]=3 3057 B12R1.298 CCN(Cc1cccs1)C(=O)C 11a_100025770963_100015343762 [0,2,0,0,0,0|1,1,0]=4 3058 B12R1.298 CCN(Cc1cccs1)C(=O)C 1626a_100025770963_100015343762 [0,2,0,0,0,0|1,1,0]=4 3059 B12R1.298 CCN(Cc1cccs1)C(=O)C 240690a_100025770963_100015343762 [0,2,0,0,0,0|1,1,0]=4 3060 B12R1.298 CCN(Cc1cccs1)C(=O)C 527a_100025770963_100103153847 [0,2,0,0,0,0|1,1,0]=4 3061 B12R1.1373 CC(=O)C(C)(C)Sc1ccco1 62a_100000075568_100009814098 [0,2,0,0,0,0|2,0,0]=4 3062 B12R1.1373 CC(=O)C(C)(C)Sc1ccco1 62a_100009814098_100000075568 [0,2,0,0,0,0|2,0,0]=4 3063 B12R1.59 CC(=O)NCc1ccc(s1)C#N 11a_100015200141_100015343762 [0,2,0,0,0,0|1,1,0]=4 3064 B12R1.59 CC(=O)NCc1ccc(s1)C#N 1626a_100015200141_100015343762 [0,2,0,0,0,0|1,1,0]=4 3065 B12R1.59 CC(=O)NCc1ccc(s1)C#N 240690a_100015200141_100015343762 [0,2,0,0,0,0|1,1,0]=4 3066 B12R1.59 CC(=O)NCc1ccc(s1)C#N 527a_100015200141_100103153847 [0,2,0,0,0,0|1,1,0]=4 3067 B12R1.59 CC(=O)OCc1nc(no1)CF 270196a_200000032654_100000183556 [0,2,0,0,0,0|2,0,0]=4 3068 B12R1.59 CC(C)OCc1ccc(o1)C#N 34a_100000212225_100009822536 [0,2,0,0,0,0|1,0,1]=4 3069 B12R1.59 CC(C)OCc1ccc(o1)C=O 34a_100000212225_200000079136 [0,2,0,0,0,0|1,0,1]=4 3070 B12R1.59 CCc1noc(n1)COC(=O)C 270196a_200000212204_100000183556 [0,2,0,0,0,0|2,0,0]=4 3071 B12R1.59 COc1cc(on1)CCC(=O)C 1458a_100000081952_200000210301 [0,2,0,0,0,0|2,0,0]=4 3072 B12R1.59 COc1cc(on1)CCC(=O)[13CH3] 1458a_100000081952_200025704644 [0,2,0,0,0,0|2,0,0]=4 3073 B12R1.103 CC(=O)NC(C)c1cc(cs1)Br 11a_100159270200_100015343762 [0,2,0,0,0,0|1,1,0]=4 3074 B12R1.103 CC(=O)NC(C)c1cc(cs1)Br 1626a_100159270200_100015343762 [0,2,0,0,0,0|1,1,0]=4 3075 B12R1.103 CC(=O)NC(C)c1cc(cs1)Br 240690a_100159270200_100015343762 [0,2,0,0,0,0|1,1,0]=4 3076 B12R1.103 CC(=O)NC(C)c1cc(cs1)Br 527a_100159270200_100103153847 [0,2,0,0,0,0|1,1,0]=4 3077 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 11a_100102723530_100015343762 [0,2,0,0,0,0|1,1,0]=4 3078 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 1626a_100102723530_100015343762 [0,2,0,0,0,0|1,1,0]=4 3079 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 240690a_100102723530_100015343762 [0,2,0,0,0,0|1,1,0]=4 3080 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 527a_100102723530_100103153847 [0,2,0,0,0,0|1,1,0]=4 3081 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl 11a_100102723459_100015343762 [0,2,0,0,0,0|1,1,0]=4 3082 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl 1626a_100102723459_100015343762 [0,2,0,0,0,0|1,1,0]=4 3083 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl 527a_100102723459_100103153847 [0,2,0,0,0,0|1,1,0]=4 3084 B12R1.103 CC(=O)O[C@@H](C)c1nc(no1)C 270196a_100000212224_100009816467 [0,2,0,0,0,0|2,0,0]=4 3085 B12R1.836 CC(C)(C)OCc1ccc(o1)Br 34a_100000246276_100000210625 [0,2,0,0,0,0|1,0,1]=4 3086 B12R1.836 CS(=O)(=O)NCc1ccc(o1)Br 40a_100000708654_100000738038 [0,2,0,0,0,0|2,0,0]=4 3087 B12R1.836 Cc1ccc(o1)CNS(=O)(=O)C 40a_100011194323_100000738038 [0,2,0,0,0,0|2,0,0]=4 3088 B12R1.836 Cc1ccc(o1)COC(C)(C)C 34a_100011232665_100000210625 [0,2,0,0,0,0|1,0,1]=4 3089 B12R1.870 CC(=O)NCc1ccc(n1C)C 1626a_100000744627_100015343762 [0,2,0,0,0,0|2,0,0]=4 3090 B12R1.870 CC(=O)NCc1ccc(n1C)C 527a_100000744627_100103153847 [0,2,0,0,0,0|2,0,0]=4 3091 B12R1.870 CC(=O)OCc1onc(c1O)C 271570a_203496583355_100010775800 [0,2,0,0,0,0|1,0,0]=3 3092 B12R1.259 CC(=O)NC(C)(C)c1cccs1 11a_100000757009_100015343762 [0,2,0,0,0,0|1,1,0]=4 3093 B12R1.259 CC(=O)NC(C)(C)c1cccs1 1626a_100000757009_100015343762 [0,2,0,0,0,0|1,1,0]=4 3094 B12R1.259 CC(=O)NC(C)(C)c1cccs1 240690a_100000757009_100015343762 [0,2,0,0,0,0|1,1,0]=4 3095 B12R1.259 CC(=O)NC(C)(C)c1cccs1 527a_100000757009_100103153847 [0,2,0,0,0,0|1,1,0]=4 3096 B12R1.265 C[C@@H](NS(=O)(=O)C)c1ccco1 40a_100160469435_100000738038 [0,2,0,0,0,0|2,0,0]=4 3097 B12R1.265 C[C@H](OC(C)(C)C)c1ccco1 34a_100000755270_100000210625 [0,2,0,0,0,0|1,0,1]=4 3098 B12R1.476 CC(=O)NC(CO)c1cccs1 240690a_100102422791_100015343762 [0,2,0,0,0,0|1,1,0]=4 3099 B12R1.476 CC(=O)NC(CO)c1cccs1 527a_100102422791_100103153847 [0,2,0,0,0,0|1,1,0]=4 3100 B12R1.476 CC(C)OC(CN)c1ccco1 34a_100000738650_100000210206 [0,2,0,0,0,0|1,0,1]=4 3101 B12R1.476 CCC(NC(=O)C)c1ccco1 11a_100015202707_100015343762 [0,2,0,0,0,0|1,0,0]=3 3102 B12R1.476 CCC(NC(=O)C)c1ccco1 1626a_100015202707_100015343762 [0,2,0,0,0,0|1,0,0]=3 3103 B12R1.476 CCC(NC(=O)C)c1ccco1 240690a_100015202707_100015343762 [0,2,0,0,0,0|1,0,0]=3 3104 B12R1.476 CCC(NC(=O)C)c1ccco1 527a_100015202707_100103153847 [0,2,0,0,0,0|1,0,0]=3 3105 B12R1.476 CCC(NC(=O)C)c1cccs1 11a_100000743277_100015343762 [0,2,0,0,0,0|1,1,0]=4 3106 B12R1.476 CCC(NC(=O)C)c1cccs1 1626a_100000743277_100015343762 [0,2,0,0,0,0|1,1,0]=4 3107 B12R1.476 CCC(NC(=O)C)c1cccs1 240690a_100000743277_100015343762 [0,2,0,0,0,0|1,1,0]=4 3108 B12R1.476 CCC(NC(=O)C)c1cccs1 527a_100000743277_100103153847 [0,2,0,0,0,0|1,1,0]=4 3109 B12R1.81 CCn1cccc1CNC(=O)C 11a_103496549365_100015343762 [0,2,0,0,0,0|2,0,0]=4 3110 B12R1.81 CCn1cccc1CNC(=O)C 1626a_103496549365_100015343762 [0,2,0,0,0,0|2,0,0]=4 3111 B12R1.81 CCn1cccc1CNC(=O)C 240690a_103496549365_100015343762 [0,2,0,0,0,0|2,0,0]=4 3112 B12R1.81 CCn1cccc1CNC(=O)C 527a_103496549365_100103153847 [0,2,0,0,0,0|2,0,0]=4 3113 B12R1.129 Cc1ccoc1COC(C)(C)C 34a_100011273948_100000210625 [0,2,0,0,0,0|1,0,1]=4 3114 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,0,1,1,0,0|1,0,1]=4 3115 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,0,1,1,0,0|1,0,1]=4 3116 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,0,1,1,0,0|2,0,0]=4 3117 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,0,1,1,0,0|1,0,1]=4 3118 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,0,1,1,0,0|1,0,1]=4 3119 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,0,1,1,0,0|1,0,1]=4 3120 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,0,1,1,0,0|2,0,0]=4 3121 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,0,1,1,0,0|1,0,1]=4 3122 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,1|2,0,0]=4 3123 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,1|2,0,0]=4 3124 B12R2.6 Cc1nc(no1)c2ccco2 270196a_100000735424_100000070787 [0,0,0,1,0,1|1,0,1]=4 3125 B12R2.6 Cc1nc(no1)c2ccco2 271570a_100000750936_100012003639 [0,0,0,1,0,1|1,0,1]=4 3126 B12R2.6 O=C1C=C(CC1)c2ccco2 271570a_100010737933_100009814098 [0,0,0,1,0,1|1,0,1]=4 3127 B12R2.136 O=C1CC(C1)Sc2ccco2 62a_100009894365_100009814098 [0,0,0,1,0,1|1,0,0]=3 3128 B12R2.136 O=C1CC(C1)Sc2cccs2 62a_100009894365_100011215356 [0,0,0,1,0,1|1,1,0]=4 3129 B12R2.136 O=C1CC(C1)Sc2cnco2 62a_100009894365_100020591547 [0,0,0,1,0,1|2,0,0]=4 3130 B12R2.136 O=C1CC(C1)Sc2ncco2 62a_100009894365_100011787736 [0,0,0,1,0,1|2,0,0]=4 3131 B12R2.2383 c1coc(c1)COCC2CC2 34a_100000210059_100000742324 [0,0,0,1,0,1|1,0,1]=4 3132 B12R2.2383 c1coc(c1)COCC2CO2 34a_100000210059_102125554688 [0,0,0,1,0,1|0,0,2]=4 3133 B12R2.12 O=C1CCC1Sc2ccco2 62a_100009814098_100009892977 [0,1,0,1,0,0|2,0,0]=4 3134 B12R2.12 O=C1CCC1Sc2ccco2 62a_100009892977_100009814098 [0,1,0,1,0,0|2,0,0]=4 3135 B12R2.2056 c1coc(c1)COC2CCC2 34a_100000210059_100000749161 [0,1,0,1,0,0|1,0,1]=4 3136 B12R2.2056 c1coc(c1)COC2COC2 34a_100000210059_100009818527 [0,1,0,1,0,0|0,0,2]=4 3137 B12R2.2298 Brc1ccc(o1)COC2CC2 34a_100000246276_100000211595 [0,1,0,1,0,0|1,0,1]=4 3138 B12R2.2298 Cc1ccc(o1)COC2CC2 34a_100011232665_100000211595 [0,1,0,1,0,0|1,0,1]=4 3139 B12R2.2074 C[C@H](OC1CC1)c2ccco2 34a_100000755270_100000211595 [0,1,0,1,0,0|1,0,1]=4 3140 B12R2.466 Cc1ccoc1COC2CC2 34a_100011273948_100000211595 [0,1,0,1,0,0|1,0,1]=4 3141 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,0,1,0,1,0|1,0,0]=3 3142 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,2,0|1,0,0]=3 3143 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,2,0|1,1,0]=4 3144 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,0,0,0,2,0|2,0,0]=4 3145 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,0,0,0,2,0|2,0,0]=4 3146 B10R0.77 C=CC(C=C)OCOC(=O)C 34a_100000033096_100009813279 [0,0,1,0,0,1|1,0,1]=4 3147 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,1|1,0,1]=4 3148 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,1|1,0,1]=4 3149 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,1|1,0,1]=4 3150 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,0,0,0,0,1|1,0,1]=4 3151 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,0,0,0,0,1|1,0,1]=4 3152 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [1,0,0,0,0,1|1,0,1]=4 3153 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [1,0,0,0,0,1|1,0,1]=4 3154 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [1,0,0,0,0,1|1,0,1]=4 3155 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,0,0,0,0,2|2,0,0]=4 3156 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,0,0,0,0,2|2,0,0]=4 3157 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,0,0,0,0,2|2,0,0]=4 3158 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,0,0,0,0,2|2,0,0]=4 3159 B12R1.252 C=C(C)COCc1cccnc1 34a_100000210245_100000733263 [0,0,0,0,0,2|2,0,0]=4 3160 B12R1.252 C=C(C)COCc1cccnn1 34a_100000210245_100016990269 [0,0,0,0,0,2|2,0,0]=4 3161 B12R1.252 C=C(C)COCc1cnccn1 34a_100000210245_100016995436 [0,0,0,0,0,2|2,0,0]=4 3162 B12R1.252 C=C(C)COCc1ncccn1 34a_100000210245_100000703007 [0,0,0,0,0,2|2,0,0]=4 3163 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,2|2,0,0]=4 3164 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,2|2,0,0]=4 3165 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,2|2,0,0]=4 3166 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,0,0,0,0,2|2,0,0]=4 3167 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,0,0,0,0,2|2,0,0]=4 3168 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,0,0,0,0,2|2,0,0]=4 3169 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,0,0,0,0,2|2,0,0]=4 3170 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,0,0,0,0,2|2,0,0]=4 3171 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,0,0,0,0,2|2,0,0]=4 3172 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,0,0,0,0,2|2,0,0]=4 3173 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,0,0,0,0,2|2,0,0]=4 3174 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,0,0,0,0,2|2,0,0]=4 3175 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,2|2,0,0]=4 3176 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,2|2,0,0]=4 3177 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [0,0,0,0,0,2|2,0,0]=4 3178 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [0,0,0,0,0,2|2,0,0]=4 3179 B12R1.252 CC(=O)CCSc1cccnn1 62a_100000053229_100016991348 [0,0,0,0,0,2|2,0,0]=4 3180 B12R1.252 CC(=O)CCSc1cccnn1 62a_100016991348_100000053229 [0,0,0,0,0,2|2,0,0]=4 3181 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [0,0,0,0,0,2|2,0,0]=4 3182 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [0,0,0,0,0,2|2,0,0]=4 3183 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000053229_100000703185 [0,0,0,0,0,2|2,0,0]=4 3184 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000703185_100000053229 [0,0,0,0,0,2|2,0,0]=4 3185 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000053229_100000211759 [0,0,0,0,0,2|2,0,0]=4 3186 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000211759_100000053229 [0,0,0,0,0,2|2,0,0]=4 3187 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000053229_100000211032 [0,0,0,0,0,2|2,0,0]=4 3188 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000211032_100000053229 [0,0,0,0,0,2|2,0,0]=4 3189 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,2|1,0,0]=3 3190 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,2|1,0,0]=3 3191 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,2|1,0,0]=3 3192 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,0,0,0,0,2|1,0,0]=3 3193 B12R1.252 CC(=O)COCc1cccnn1 34a_100000211253_100016990269 [0,0,0,0,0,2|1,0,0]=3 3194 B12R1.252 CC(=O)COCc1cnccn1 34a_100000211253_100016995436 [0,0,0,0,0,2|1,0,0]=3 3195 B12R1.252 CC(=O)COCc1cncnc1 34a_100000211253_100015196519 [0,0,0,0,0,2|2,0,0]=4 3196 B12R1.252 CC(=O)COCc1ncccn1 34a_100000211253_100000703007 [0,0,0,0,0,2|1,0,0]=3 3197 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,0,0,0,2|1,1,0]=4 3198 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,0,0,0,2|1,1,0]=4 3199 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,2|1,1,0]=4 3200 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,2|2,0,0]=4 3201 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,2|2,0,0]=4 3202 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,2|2,0,0]=4 3203 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,2|2,0,0]=4 3204 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,2|2,0,0]=4 3205 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,2|2,0,0]=4 3206 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,2|2,0,0]=4 3207 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,2|2,0,0]=4 3208 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,0,0,0,0,2|2,0,0]=4 3209 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,0,0,0,0,2|2,0,0]=4 3210 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,0,0,0,0,2|2,0,0]=4 3211 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,0,0,0,0,2|2,0,0]=4 3212 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,0,0,0,0,2|2,0,0]=4 3213 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,0,0,0,0,2|2,0,0]=4 3214 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,0,0,0,0,2|2,0,0]=4 3215 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,0,0,0,0,2|2,0,0]=4 3216 B12R1.252 CC(=O)NCCc1cnccn1 11a_100000723456_100015343762 [0,0,0,0,0,2|2,0,0]=4 3217 B12R1.252 CC(=O)NCCc1cnccn1 1626a_100000723456_100015343762 [0,0,0,0,0,2|2,0,0]=4 3218 B12R1.252 CC(=O)NCCc1cnccn1 240690a_100000723456_100015343762 [0,0,0,0,0,2|2,0,0]=4 3219 B12R1.252 CC(=O)NCCc1cnccn1 527a_100000723456_100103153847 [0,0,0,0,0,2|2,0,0]=4 3220 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,0,0,0,0,2|2,0,0]=4 3221 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [0,0,0,0,0,2|2,0,0]=4 3222 B12R1.252 CC(=O)NNCc1cccnc1 22a_100000738295_100000070787 [0,0,0,0,0,2|2,0,0]=4 3223 B12R1.252 CC(=O)NNCc1ccncc1 22a_100000736929_100000070787 [0,0,0,0,0,2|2,0,0]=4 3224 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,0,0,0,0,2|1,0,0]=3 3225 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,0,0,0,0,2|1,0,0]=3 3226 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [0,0,0,0,0,2|1,0,0]=3 3227 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [0,0,0,0,0,2|1,0,0]=3 3228 B12R1.252 CC(=O)OCOc1ccnnc1 34a_100015204005_100009813279 [0,0,0,0,0,2|2,0,0]=4 3229 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,0,0,0,0,2|1,0,0]=3 3230 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,0,0,0,0,2|1,0,0]=3 3231 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [0,0,0,0,0,2|1,0,0]=3 3232 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [0,0,0,0,0,2|1,0,0]=3 3233 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000076356_100000210063 [0,0,0,0,0,2|1,0,0]=3 3234 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000210063_100000076356 [0,0,0,0,0,2|1,0,0]=3 3235 B12R1.252 CC(=O)OCSc1cccnn1 62a_100000076356_100016991348 [0,0,0,0,0,2|1,0,0]=3 3236 B12R1.252 CC(=O)OCSc1cccnn1 62a_100016991348_100000076356 [0,0,0,0,0,2|1,0,0]=3 3237 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000076356_100000728582 [0,0,0,0,0,2|1,0,0]=3 3238 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000728582_100000076356 [0,0,0,0,0,2|1,0,0]=3 3239 B12R1.252 CC(=O)OCSc1ccncn1 62a_100000076356_100000703185 [0,0,0,0,0,2|1,0,0]=3 3240 B12R1.252 CC(=O)OCSc1ccncn1 62a_100000703185_100000076356 [0,0,0,0,0,2|1,0,0]=3 3241 B12R1.252 CC(=O)OCSc1ccnnc1 62a_100000076356_100000732662 [0,0,0,0,0,2|2,0,0]=4 3242 B12R1.252 CC(=O)OCSc1ccnnc1 62a_100000732662_100000076356 [0,0,0,0,0,2|2,0,0]=4 3243 B12R1.252 CC(=O)OCSc1cnccn1 62a_100000076356_100000211759 [0,0,0,0,0,2|1,0,0]=3 3244 B12R1.252 CC(=O)OCSc1cnccn1 62a_100000211759_100000076356 [0,0,0,0,0,2|1,0,0]=3 3245 B12R1.252 CC(=O)OCSc1cncnc1 62a_100000076356_100011206942 [0,0,0,0,0,2|2,0,0]=4 3246 B12R1.252 CC(=O)OCSc1cncnc1 62a_100011206942_100000076356 [0,0,0,0,0,2|2,0,0]=4 3247 B12R1.252 CC(=O)OCSc1ncccn1 62a_100000076356_100000211032 [0,0,0,0,0,2|1,0,0]=3 3248 B12R1.252 CC(=O)OCSc1ncccn1 62a_100000211032_100000076356 [0,0,0,0,0,2|1,0,0]=3 3249 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,2|2,0,0]=4 3250 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,2|2,0,0]=4 3251 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,2|2,0,0]=4 3252 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,2|2,0,0]=4 3253 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,2|2,0,0]=4 3254 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,0,0,0,0,2|2,0,0]=4 3255 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,0,0,0,0,2|2,0,0]=4 3256 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,0,0,0,0,2|2,0,0]=4 3257 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,2|1,0,0]=3 3258 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,0,0,0,2|1,1,0]=4 3259 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,2|1,1,0]=4 3260 B12R1.255 C=C(C)CCNCc1ccco1 2230a_100000185738_100000730704 [0,0,0,0,0,2|2,0,0]=4 3261 B12R1.255 C=C(C)CCNCc1ccco1 34a_100000185738_100000730704 [0,0,0,0,0,2|2,0,0]=4 3262 B12R1.255 C=C(C)CCOCc1ccco1 34a_100000210059_100000730704 [0,0,0,0,0,2|1,0,0]=3 3263 B12R1.255 C=C(C)CCOCc1cccs1 34a_100000211240_100000730704 [0,0,0,0,0,2|1,1,0]=4 3264 B12R1.255 C=C(C)CCOCc1ccno1 34a_100000740478_100000730704 [0,0,0,0,0,2|2,0,0]=4 3265 B12R1.255 C=C(C)CCOCc1ncco1 34a_100000062594_100000730704 [0,0,0,0,0,2|2,0,0]=4 3266 B12R1.255 C=C(C)CCOCc1ncco1 34a_100000764851_103436540062 [0,0,0,0,0,2|2,0,0]=4 3267 B12R1.255 C=C(C)CNCCc1ccco1 2230a_100000694680_100000748629 [0,0,0,0,0,2|2,0,0]=4 3268 B12R1.255 C=C(C)CNCCc1ccco1 34a_100000694680_100000748629 [0,0,0,0,0,2|2,0,0]=4 3269 B12R1.255 C=C(C)COCCc1cccs1 34a_100000210245_100000748579 [0,0,0,0,0,2|1,1,0]=4 3270 B12R1.255 C=C(C)COCCc1cccs1 34a_100011216825_100000748629 [0,0,0,0,0,2|1,1,0]=4 3271 B12R1.255 C=C(C)COCCc1cccs1 7a_100011216825_100000748629 [0,0,0,0,0,2|1,1,0]=4 3272 B12R1.255 CC(=CCCSc1ccco1)C 62a_100009814098_100011217483 [0,0,0,0,0,2|2,0,0]=4 3273 B12R1.255 CC(=CCCSc1ccco1)C 62a_100011217483_100009814098 [0,0,0,0,0,2|2,0,0]=4 3274 B12R1.255 CC(=CCNCc1ccco1)C 2230a_100000185738_100000761012 [0,0,0,0,0,2|2,0,0]=4 3275 B12R1.255 CC(=CCNCc1ccco1)C 270004a_100000718196_100000186105 [0,0,0,0,0,2|2,0,0]=4 3276 B12R1.255 CC(=CCNCc1ccco1)C 34a_100000185738_100000761012 [0,0,0,0,0,2|2,0,0]=4 3277 B12R1.255 CC(=CCOCc1ccco1)C 34a_100000210059_100000761012 [0,0,0,0,0,2|1,0,0]=3 3278 B12R1.255 CC(=CCOCc1cccs1)C 34a_100000211240_100000761012 [0,0,0,0,0,2|1,1,0]=4 3279 B12R1.255 CC(=CCOCc1ccno1)C 34a_100000740478_100000761012 [0,0,0,0,0,2|2,0,0]=4 3280 B12R1.255 CC(=CCOCc1ncco1)C 34a_100000062594_100000761012 [0,0,0,0,0,2|2,0,0]=4 3281 B12R1.255 CC(=CCOCc1ncco1)C 34a_100000753907_103436540062 [0,0,0,0,0,2|2,0,0]=4 3282 B12R1.255 CC(=O)CCCCc1cccs1 1458a_100011216592_200000210301 [0,0,0,0,0,2|1,1,0]=4 3283 B12R1.255 CC(=O)CCCSc1ccco1 62a_100009814098_100011215641 [0,0,0,0,0,2|1,0,0]=3 3284 B12R1.255 CC(=O)CCCSc1ccco1 62a_100011215641_100009814098 [0,0,0,0,0,2|1,0,0]=3 3285 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215356_100011215641 [0,0,0,0,0,2|1,1,0]=4 3286 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215641_100011215356 [0,0,0,0,0,2|1,1,0]=4 3287 B12R1.255 CC(=O)CCCSc1cnco1 62a_100011215641_100020591547 [0,0,0,0,0,2|2,0,0]=4 3288 B12R1.255 CC(=O)CCCSc1cnco1 62a_100020591547_100011215641 [0,0,0,0,0,2|2,0,0]=4 3289 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011215641_100011787736 [0,0,0,0,0,2|2,0,0]=4 3290 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011787736_100011215641 [0,0,0,0,0,2|2,0,0]=4 3291 B12R1.255 CC(=O)CCOCc1c[nH]cn1 34a_100000759926_100000707719 [0,0,0,0,0,2|2,0,0]=4 3292 B12R1.255 CC(=O)CCOCc1ccn[nH]1 34a_100000759926_100000728653 [0,0,0,0,0,2|2,0,0]=4 3293 B12R1.255 CC(=O)CCOCc1ccn[nH]1 7a_100000759926_100000728653 [0,0,0,0,0,2|2,0,0]=4 3294 B12R1.255 CC(=O)CCOCc1ccon1 34a_100000759926_100000234950 [0,0,0,0,0,2|2,0,0]=4 3295 B12R1.255 CC(=O)CCOCc1ccon1 7a_100000759926_100000234950 [0,0,0,0,0,2|2,0,0]=4 3296 B12R1.255 CC(=O)CCOCc1ccsc1 34a_100000759926_100011261437 [0,0,0,0,0,2|2,0,0]=4 3297 B12R1.255 CC(=O)CCOCc1ccsc1 7a_100000759926_100011261437 [0,0,0,0,0,2|2,0,0]=4 3298 B12R1.255 CC(=O)CCOCc1cncs1 34a_100000759926_100015185245 [0,0,0,0,0,2|1,1,0]=4 3299 B12R1.255 CC(=O)CCOCc1cncs1 7a_100000759926_100015185245 [0,0,0,0,0,2|1,1,0]=4 3300 B12R1.255 CC(=O)CCOCc1cscn1 34a_100000759926_100000205941 [0,0,0,0,0,2|2,0,0]=4 3301 B12R1.255 CC(=O)CCOCc1cscn1 7a_100000759926_100000205941 [0,0,0,0,0,2|2,0,0]=4 3302 B12R1.255 CC(=O)CCOCc1ncc[nH]1 34a_100000759926_100016991755 [0,0,0,0,0,2|2,0,0]=4 3303 B12R1.255 CC(=O)CCOCc1ncc[nH]1 7a_100000759926_100000753453 [0,0,0,0,0,2|2,0,0]=4 3304 B12R1.255 CC(=O)CCOCc1ncco1 34a_100000759926_103436540062 [0,0,0,0,0,2|1,0,0]=3 3305 B12R1.255 CC(=O)CCOCc1ncco1 7a_100000759926_103436540062 [0,0,0,0,0,2|1,0,0]=3 3306 B12R1.255 CC(=O)CCOCc1nccs1 34a_100000759926_100015184050 [0,0,0,0,0,2|1,1,0]=4 3307 B12R1.255 CC(=O)CCOCc1nccs1 7a_100000759926_100015184050 [0,0,0,0,0,2|1,1,0]=4 3308 B12R1.255 CC(=O)CCSCc1ncco1 62a_100000053229_103436540062 [0,0,0,0,0,2|1,1,0]=4 3309 B12R1.255 CC(=O)CCSCc1ncco1 62a_103436540062_100000053229 [0,0,0,0,0,2|1,1,0]=4 3310 B12R1.255 CC(=O)COCCc1cccs1 34a_100000211253_100000748579 [0,0,0,0,0,2|0,1,0]=3 3311 B12R1.255 CC(=O)COCCn1cccn1 34a_100000211253_100015204718 [0,0,0,0,0,2|2,0,0]=4 3312 B12R1.255 CC(=O)NCCSc1ccco1 62a_100000189650_100009814098 [0,0,0,0,0,2|1,0,0]=3 3313 B12R1.255 CC(=O)NCCSc1ccco1 62a_100009814098_100000189650 [0,0,0,0,0,2|1,0,0]=3 3314 B12R1.255 CC(=O)NCCSc1cccs1 62a_100000189650_100011215356 [0,0,0,0,0,2|1,1,0]=4 3315 B12R1.255 CC(=O)NCCSc1cccs1 62a_100011215356_100000189650 [0,0,0,0,0,2|1,1,0]=4 3316 B12R1.255 CC(=O)NCCSc1cnco1 62a_100000189650_100020591547 [0,0,0,0,0,2|2,0,0]=4 3317 B12R1.255 CC(=O)NCCSc1cnco1 62a_100020591547_100000189650 [0,0,0,0,0,2|2,0,0]=4 3318 B12R1.255 CC(=O)NCCSc1ncco1 62a_100000189650_100011787736 [0,0,0,0,0,2|2,0,0]=4 3319 B12R1.255 CC(=O)NCCSc1ncco1 62a_100011787736_100000189650 [0,0,0,0,0,2|2,0,0]=4 3320 B12R1.255 CC(=O)OCC=Cc1c[nH]cn1 271570a_200000047263_100000756875 [0,0,0,0,0,2|2,0,0]=4 3321 B12R1.255 CC(=O)OCC=Cc1cc[nH]n1 271570a_200000047263_100000062575 [0,0,0,0,0,2|2,0,0]=4 3322 B12R1.255 CC(=O)OCC=Cc1ccco1 271570a_200000047263_100009814098 [0,0,0,0,0,2|0,0,0]=2 3323 B12R1.255 CC(=O)OCC=Cc1cccs1 271570a_200000047263_100011215356 [0,0,0,0,0,2|0,1,0]=3 3324 B12R1.255 CC(=O)OCC=Cc1ccoc1 271570a_200000047263_100011215275 [0,0,0,0,0,2|2,0,0]=4 3325 B12R1.255 CC(=O)OCC=Cc1ccsc1 271570a_200000047263_100000738268 [0,0,0,0,0,2|2,0,0]=4 3326 B12R1.255 CC(=O)OCC=Cc1ccsn1 271570a_200000047263_100009818082 [0,0,0,0,0,2|2,0,0]=4 3327 B12R1.255 CC(=O)OCC=Cc1cnco1 271570a_200000047263_100020591547 [0,0,0,0,0,2|1,0,0]=3 3328 B12R1.255 CC(=O)OCC=Cc1cncs1 271570a_200000047263_100011934649 [0,0,0,0,0,2|1,1,0]=4 3329 B12R1.255 CC(=O)OCC=Cc1cscn1 271570a_200000047263_100000751502 [0,0,0,0,0,2|2,0,0]=4 3330 B12R1.255 CC(=O)OCC=Cc1ncc[nH]1 271570a_200000047263_100025796157 [0,0,0,0,0,2|2,0,0]=4 3331 B12R1.255 CC(=O)OCC=Cc1ncco1 271570a_200000047263_100011787736 [0,0,0,0,0,2|1,0,0]=3 3332 B12R1.255 CC(=O)OCC=Cc1nccs1 271570a_200000047263_100000211983 [0,0,0,0,0,2|1,1,0]=4 3333 B12R1.255 CC(=O)OCCOc1ccsc1 34a_100000106738_100009814007 [0,0,0,0,0,2|2,0,0]=4 3334 B12R1.255 CC(=O)OCCOc1ccsc1 7a_100000106738_100009814007 [0,0,0,0,0,2|2,0,0]=4 3335 B12R1.255 CC(=O)OCCSc1c[nH]cn1 62a_100000756875_100009814007 [0,0,0,0,0,2|2,0,0]=4 3336 B12R1.255 CC(=O)OCCSc1c[nH]cn1 62a_100009814007_100000756875 [0,0,0,0,0,2|2,0,0]=4 3337 B12R1.255 CC(=O)OCCSc1cc[nH]n1 62a_100000062575_100009814007 [0,0,0,0,0,2|2,0,0]=4 3338 B12R1.255 CC(=O)OCCSc1cc[nH]n1 62a_100009814007_100000062575 [0,0,0,0,0,2|2,0,0]=4 3339 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814007_100009814098 [0,0,0,0,0,2|0,0,0]=2 3340 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814098_100009814007 [0,0,0,0,0,2|0,0,0]=2 3341 B12R1.255 CC(=O)OCCSc1cccs1 62a_100009814007_100011215356 [0,0,0,0,0,2|0,1,0]=3 3342 B12R1.255 CC(=O)OCCSc1cccs1 62a_100011215356_100009814007 [0,0,0,0,0,2|0,1,0]=3 3343 B12R1.255 CC(=O)OCCSc1ccoc1 62a_100009814007_100011215275 [0,0,0,0,0,2|2,0,0]=4 3344 B12R1.255 CC(=O)OCCSc1ccoc1 62a_100011215275_100009814007 [0,0,0,0,0,2|2,0,0]=4 3345 B12R1.255 CC(=O)OCCSc1ccon1 62a_100009814007_100009818083 [0,0,0,0,0,2|2,0,0]=4 3346 B12R1.255 CC(=O)OCCSc1ccon1 62a_100009818083_100009814007 [0,0,0,0,0,2|2,0,0]=4 3347 B12R1.255 CC(=O)OCCSc1ccsc1 62a_100000738268_100009814007 [0,0,0,0,0,2|2,0,0]=4 3348 B12R1.255 CC(=O)OCCSc1ccsc1 62a_100009814007_100000738268 [0,0,0,0,0,2|2,0,0]=4 3349 B12R1.255 CC(=O)OCCSc1ccsn1 62a_100009814007_100009818082 [0,0,0,0,0,2|2,0,0]=4 3350 B12R1.255 CC(=O)OCCSc1ccsn1 62a_100009818082_100009814007 [0,0,0,0,0,2|2,0,0]=4 3351 B12R1.255 CC(=O)OCCSc1cnco1 62a_100009814007_100020591547 [0,0,0,0,0,2|1,0,0]=3 3352 B12R1.255 CC(=O)OCCSc1cnco1 62a_100020591547_100009814007 [0,0,0,0,0,2|1,0,0]=3 3353 B12R1.255 CC(=O)OCCSc1cncs1 62a_100009814007_100011934649 [0,0,0,0,0,2|1,1,0]=4 3354 B12R1.255 CC(=O)OCCSc1cncs1 62a_100011934649_100009814007 [0,0,0,0,0,2|1,1,0]=4 3355 B12R1.255 CC(=O)OCCSc1cscn1 62a_100000751502_100009814007 [0,0,0,0,0,2|2,0,0]=4 3356 B12R1.255 CC(=O)OCCSc1cscn1 62a_100009814007_100000751502 [0,0,0,0,0,2|2,0,0]=4 3357 B12R1.255 CC(=O)OCCSc1ncc[nH]1 62a_100009814007_100025796157 [0,0,0,0,0,2|2,0,0]=4 3358 B12R1.255 CC(=O)OCCSc1ncc[nH]1 62a_100025796157_100009814007 [0,0,0,0,0,2|2,0,0]=4 3359 B12R1.255 CC(=O)OCCSc1ncco1 62a_100009814007_100011787736 [0,0,0,0,0,2|1,0,0]=3 3360 B12R1.255 CC(=O)OCCSc1ncco1 62a_100011787736_100009814007 [0,0,0,0,0,2|1,0,0]=3 3361 B12R1.255 CC(=O)OCCSc1nccs1 62a_100000211983_100009814007 [0,0,0,0,0,2|1,1,0]=4 3362 B12R1.255 CC(=O)OCCSc1nccs1 62a_100009814007_100000211983 [0,0,0,0,0,2|1,1,0]=4 3363 B12R1.255 CC(=O)OCNCc1ccco1 34a_100000185738_100009813279 [0,0,0,0,0,2|0,0,0]=2 3364 B12R1.255 CC(=O)OCNCc1ccoc1 34a_100015206860_100009813279 [0,0,0,0,0,2|2,0,0]=4 3365 B12R1.255 CC(=O)OCNCc1ccsc1 34a_100000186416_100009813279 [0,0,0,0,0,2|2,0,0]=4 3366 B12R1.255 CC(=O)OCOCc1ccco1 34a_100000210059_100009813279 [0,0,0,0,0,2|0,0,0]=2 3367 B12R1.255 CC(=O)OCOCc1cccs1 34a_100000211240_100009813279 [0,0,0,0,0,2|0,1,0]=3 3368 B12R1.255 CC(=O)OCOCc1ccno1 34a_100000740478_100009813279 [0,0,0,0,0,2|1,0,0]=3 3369 B12R1.255 CC(=O)OCOCc1ccoc1 34a_100011215357_100009813279 [0,0,0,0,0,2|2,0,0]=4 3370 B12R1.255 CC(=O)OCOCc1ccsc1 34a_100011215551_100009813279 [0,0,0,0,0,2|2,0,0]=4 3371 B12R1.255 CC(=O)OCOCc1ncco1 34a_100000062594_100009813279 [0,0,0,0,0,2|1,0,0]=3 3372 B12R1.255 CC(=O)OCOCn1cccn1 34a_100000731028_100009813279 [0,0,0,0,0,2|2,0,0]=4 3373 B12R1.255 CC(=O)OCSCc1c[nH]cn1 62a_100000076356_100000707719 [0,0,0,0,0,2|2,0,0]=4 3374 B12R1.255 CC(=O)OCSCc1c[nH]cn1 62a_100000707719_100000076356 [0,0,0,0,0,2|2,0,0]=4 3375 B12R1.255 CC(=O)OCSCc1ccn[nH]1 62a_100000076356_100000728653 [0,0,0,0,0,2|2,0,0]=4 3376 B12R1.255 CC(=O)OCSCc1ccn[nH]1 62a_100000728653_100000076356 [0,0,0,0,0,2|2,0,0]=4 3377 B12R1.255 CC(=O)OCSCc1ccon1 62a_100000076356_100000234950 [0,0,0,0,0,2|2,0,0]=4 3378 B12R1.255 CC(=O)OCSCc1ccon1 62a_100000234950_100000076356 [0,0,0,0,0,2|2,0,0]=4 3379 B12R1.255 CC(=O)OCSCc1ccsc1 62a_100000076356_100011233845 [0,0,0,0,0,2|2,0,0]=4 3380 B12R1.255 CC(=O)OCSCc1ccsc1 62a_100011261437_100000076356 [0,0,0,0,0,2|2,0,0]=4 3381 B12R1.255 CC(=O)OCSCc1cncs1 62a_100000076356_100015185245 [0,0,0,0,0,2|1,1,0]=4 3382 B12R1.255 CC(=O)OCSCc1cncs1 62a_100015185245_100000076356 [0,0,0,0,0,2|1,1,0]=4 3383 B12R1.255 CC(=O)OCSCc1cscn1 62a_100000076356_100000205941 [0,0,0,0,0,2|2,0,0]=4 3384 B12R1.255 CC(=O)OCSCc1cscn1 62a_100000205941_100000076356 [0,0,0,0,0,2|2,0,0]=4 3385 B12R1.255 CC(=O)OCSCc1ncc[nH]1 62a_100000076356_100016991755 [0,0,0,0,0,2|2,0,0]=4 3386 B12R1.255 CC(=O)OCSCc1ncc[nH]1 62a_100016991755_100000076356 [0,0,0,0,0,2|2,0,0]=4 3387 B12R1.255 CC(=O)OCSCc1ncco1 62a_100000076356_103436540062 [0,0,0,0,0,2|1,0,0]=3 3388 B12R1.255 CC(=O)OCSCc1ncco1 62a_103436540062_100000076356 [0,0,0,0,0,2|1,0,0]=3 3389 B12R1.255 CC(=O)OCSCc1nccs1 62a_100000076356_100015184050 [0,0,0,0,0,2|1,1,0]=4 3390 B12R1.255 CC(=O)OCSCc1nccs1 62a_100015184050_100000076356 [0,0,0,0,0,2|1,1,0]=4 3391 B12R1.255 CC(C)CCOCc1ccco1 34a_100000210059_100000210312 [0,0,0,0,0,2|1,0,1]=4 3392 B12R1.255 CC(C)OCCSc1ccco1 62a_100000211751_100009814098 [0,0,0,0,0,2|1,0,1]=4 3393 B12R1.255 CC(C)OCCSc1ccco1 62a_100009814098_100000211751 [0,0,0,0,0,2|1,0,1]=4 3394 B12R1.255 CC(C)OCNCc1ccco1 2230a_100000185738_100000709892 [0,0,0,0,0,2|1,0,1]=4 3395 B12R1.255 CC(C)OCNCc1ccco1 34a_100000185738_100000709892 [0,0,0,0,0,2|1,0,1]=4 3396 B12R1.255 CC(C)OCOCc1ccco1 34a_100000210059_100000709892 [0,0,0,0,0,2|1,0,1]=4 3397 B12R1.255 CC(O)CCOCc1ccco1 34a_100000210059_100012276601 [0,0,0,0,0,2|0,0,2]=4 3398 B12R1.255 NC(=O)CCCSc1ccco1 62a_100009814098_100102525003 [0,0,0,0,0,2|2,0,0]=4 3399 B12R1.255 NC(=O)CCCSc1ccco1 62a_100102525003_100009814098 [0,0,0,0,0,2|2,0,0]=4 3400 B12R1.255 NC(=O)CCNCc1ccco1 207a_100000740010_100000186105 [0,0,0,0,0,2|2,0,0]=4 3401 B12R1.255 NC(=O)CCNCc1ccco1 2230a_100000185738_100000744528 [0,0,0,0,0,2|2,0,0]=4 3402 B12R1.255 NC(=O)CCNCc1ccco1 34a_100000185738_100000731001 [0,0,0,0,0,2|2,0,0]=4 3403 B12R1.255 NC(=O)CCOCc1ccco1 34a_100000210059_100000731001 [0,0,0,0,0,2|1,0,0]=3 3404 B12R1.255 NC(=O)CCOCc1cccs1 34a_100000211240_100000731001 [0,0,0,0,0,2|1,1,0]=4 3405 B12R1.255 NC(=O)CCOCc1ccno1 34a_100000740478_100000731001 [0,0,0,0,0,2|2,0,0]=4 3406 B12R1.255 NC(=O)CCOCc1ncco1 34a_100000062594_100000731001 [0,0,0,0,0,2|2,0,0]=4 3407 B12R1.255 NC(=O)CCOCc1ncco1 34a_100000757172_103436540062 [0,0,0,0,0,2|2,0,0]=4 3408 B12R1.255 NC(=O)CCOCc1ncco1 7a_100000757172_103436540062 [0,0,0,0,0,2|2,0,0]=4 3409 B12R1.255 NC(=O)CNCCc1ccco1 2230a_100000694680_100000747473 [0,0,0,0,0,2|2,0,0]=4 3410 B12R1.255 NC(=O)CNCCc1ccco1 34a_100000694680_100000187820 [0,0,0,0,0,2|2,0,0]=4 3411 B12R1.255 NC(=O)COCCc1cccs1 34a_100011216825_100000187820 [0,0,0,0,0,2|1,1,0]=4 3412 B12R1.255 NC(=O)COCCc1cccs1 7a_100011216825_100000187820 [0,0,0,0,0,2|1,1,0]=4 3413 B12R1.255 NC(=O)NCCSc1ccco1 62a_100009814098_200000034859 [0,0,0,0,0,2|2,0,0]=4 3414 B12R1.255 NC(=O)NCCSc1ccco1 62a_200000034859_100009814098 [0,0,0,0,0,2|2,0,0]=4 3415 B12R1.255 NC(=O)OCCSc1ccco1 62a_100009814098_200011214921 [0,0,0,0,0,2|1,0,0]=3 3416 B12R1.255 NC(=O)OCCSc1ccco1 62a_200011214921_100009814098 [0,0,0,0,0,2|1,0,0]=3 3417 B12R1.255 NC(=O)OCCSc1cccs1 62a_100011215356_200011214921 [0,0,0,0,0,2|1,1,0]=4 3418 B12R1.255 NC(=O)OCCSc1cccs1 62a_200011214921_100011215356 [0,0,0,0,0,2|1,1,0]=4 3419 B12R1.255 NC(=O)OCCSc1cnco1 62a_100020591547_200011214921 [0,0,0,0,0,2|2,0,0]=4 3420 B12R1.255 NC(=O)OCCSc1cnco1 62a_200011214921_100020591547 [0,0,0,0,0,2|2,0,0]=4 3421 B12R1.255 NC(=O)OCCSc1ncco1 62a_100011787736_200011214921 [0,0,0,0,0,2|2,0,0]=4 3422 B12R1.255 NC(=O)OCCSc1ncco1 62a_200011214921_100011787736 [0,0,0,0,0,2|2,0,0]=4 3423 B12R1.255 O=C(O)CONCc1ncco1 269956a_100000106656_103436540062 [0,0,0,0,0,2|2,0,0]=4 3424 B12R1.255 O=C([O-])CNCCc1ccco1 34a_100000694680_100020667443 [0,0,0,0,0,2|2,0,0]=4 3425 B12R1.255 O=C([O-])COCCc1cccs1 34a_100011216825_100020667443 [0,0,0,0,0,2|1,1,0]=4 3426 B12R1.255 [13CH3]C(=O)CCCCc1cccs1 1458a_100011216592_200025704644 [0,0,0,0,0,2|1,1,0]=4