0 B10R1.66 C=C(C)CCN1CC=CC1 269982a_100015195280_100000730704 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.66 C=C(C)COc1ccsc1 34a_100000106738_100000748629 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 C=C(C)COc1ccsc1 7a_100000106738_100000748629 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.66 C=C(C)CSc1c[nH]cn1 62a_100000748629_100000756875 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 C=C(C)CSc1c[nH]cn1 62a_100000756875_100000211660 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.66 C=C(C)CSc1cc[nH]n1 62a_100000062575_100000211660 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.66 C=C(C)CSc1cc[nH]n1 62a_100000748629_100000062575 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,0,0,0,0,0|2,1,0]=3 10 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,0,0,0,0,0|2,1,0]=3 11 B10R1.66 C=C(C)CSc1ccoc1 62a_100000748629_100011215275 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.66 C=C(C)CSc1ccoc1 62a_100011215275_100000211660 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.66 C=C(C)CSc1ccon1 62a_100000748629_100009818083 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.66 C=C(C)CSc1ccon1 62a_100009818083_100000211660 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.66 C=C(C)CSc1ccsc1 62a_100000738268_100000211660 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.66 C=C(C)CSc1ccsc1 62a_100000748629_100000738268 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.66 C=C(C)CSc1ccsn1 62a_100000748629_100009818082 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.66 C=C(C)CSc1ccsn1 62a_100009818082_100000211660 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.66 C=C(C)CSc1cnco1 62a_100000748629_100020591547 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.66 C=C(C)CSc1cnco1 62a_100020591547_100000211660 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.66 C=C(C)CSc1cncs1 62a_100000748629_100011934649 [0,0,0,0,0,0|3,1,0]=4 22 B10R1.66 C=C(C)CSc1cncs1 62a_100011934649_100000211660 [0,0,0,0,0,0|3,1,0]=4 23 B10R1.66 C=C(C)CSc1cscn1 62a_100000748629_100000751502 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.66 C=C(C)CSc1cscn1 62a_100000751502_100000211660 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.66 C=C(C)CSc1ncc[nH]1 62a_100000748629_100025796157 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.66 C=C(C)CSc1ncc[nH]1 62a_100025796157_100000211660 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.66 C=C(C)CSc1ncco1 62a_100000748629_100011787736 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.66 C=C(C)CSc1ncco1 62a_100011787736_100000211660 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.66 C=C(C)CSc1nccs1 62a_100000211983_100000211660 [0,0,0,0,0,0|3,1,0]=4 30 B10R1.66 C=C(C)CSc1nccs1 62a_100000748629_100000211983 [0,0,0,0,0,0|3,1,0]=4 31 B10R1.66 C=C(F)CSc1ccco1 62a_100000042424_100009814098 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.66 C=C(F)CSc1ccco1 62a_100009814098_100000042424 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.66 C=C(F)CSc1cccs1 62a_100000042424_100011215356 [0,0,0,0,0,0|2,1,1]=4 34 B10R1.66 C=C(F)CSc1cccs1 62a_100011215356_100000042424 [0,0,0,0,0,0|2,1,1]=4 35 B10R1.66 C=C(F)CSc1cnco1 62a_100000042424_100020591547 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.66 C=C(F)CSc1cnco1 62a_100020591547_100000042424 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.66 C=C(F)CSc1ncco1 62a_100000042424_100011787736 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.66 C=C(F)CSc1ncco1 62a_100011787736_100000042424 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,0,0,0,0,0|2,0,2]=4 40 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,0,0,0,0|0,1,2]=3 41 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [0,0,0,0,0,0|2,0,2]=4 42 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [0,0,0,0,0,0|2,0,2]=4 43 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,0,0,0,0,0|2,0,2]=4 44 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [0,0,0,0,0,0|1,1,2]=4 45 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,0,0,0,0|0,0,4]=4 46 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,0,0,0,0,0|1,0,3]=4 47 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,0,0,0,0,0|1,0,3]=4 48 B10R1.66 CC(=O)CCN1CC=CC1 269982a_100015195280_100000053229 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,0,0,0,0,0|1,0,3]=4 50 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,0,0,0,0,0|2,0,0]=2 51 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,0,0|1,0,0]=1 53 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,0,0|0,0,0]=0 54 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,0,0|0,1,0]=1 55 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,0,0|0,1,0]=1 56 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.66 CC(=O)CCc1cn[nH]c1 1458a_100000070787_100000743252 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,0,0,0,0,0|1,1,0]=2 60 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,0,0,0,0,0|1,1,0]=2 62 B10R1.66 CC(=O)CCc1nnn[nH]1 1458a_100000070787_100000031946 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000070787_100000702546 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000176952_200000210301 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.66 CC(=O)CCn1ccnn1 1458a_100000741450_200000210301 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.66 CC(=O)CCn1cncn1 1458a_100000070787_100000731791 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.66 CC(=O)CCn1cncn1 1458a_100000242768_200000210301 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.66 CC(=O)CCn1cnnn1 1458a_100000724085_200000210301 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,0,0,0,0,0|3,0,0]=3 76 B10R1.66 CC(=O)NCc1c[nH]nn1 11a_100020620823_100015343762 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.66 CC(=O)NCc1c[nH]nn1 240690a_100020620823_100015343762 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.66 CC(=O)NCc1c[nH]nn1 527a_100020620823_100103153847 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.66 CC(=O)NCc1cc[nH]n1 11a_100000739516_100015343762 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.66 CC(=O)NCc1cc[nH]n1 240690a_100000739516_100015343762 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.66 CC(=O)NCc1cc[nH]n1 527a_100000739516_100103153847 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,0,0,0,0,0|2,0,0]=2 83 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,0,0,0,0,0|2,0,0]=2 84 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,0,0,0,0,0|2,0,0]=2 85 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,0,0,0,0,0|1,0,0]=1 86 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,0,0,0,0,0|1,0,0]=1 87 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,0,0,0,0,0|1,0,0]=1 88 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,0,0,0,0,0|1,0,0]=1 89 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,0,0,0,0,0|1,1,0]=2 90 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,0,0,0,0,0|1,1,0]=2 91 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,0,0,0,0,0|1,1,0]=2 92 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,0,0,0,0,0|1,1,0]=2 93 B10R1.66 CC(=O)NCc1ccoc1 11a_100015206860_100015343762 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.66 CC(=O)NCc1ccoc1 1626a_100015206860_100015343762 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.66 CC(=O)NCc1ccoc1 240690a_100015206860_100015343762 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.66 CC(=O)NCc1ccoc1 527a_100015206860_100103153847 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.66 CC(=O)NCc1ccon1 11a_100000688301_100015343762 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.66 CC(=O)NCc1ccon1 240690a_100000688301_100015343762 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.66 CC(=O)NCc1ccon1 527a_100000688301_100103153847 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [0,0,0,0,0,0|3,0,0]=3 103 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.66 CC(=O)NCc1cn[nH]c1 11a_100000737208_100015343762 [0,0,0,0,0,0|4,0,0]=4 105 B10R1.66 CC(=O)NCc1cn[nH]c1 240690a_100000737208_100015343762 [0,0,0,0,0,0|4,0,0]=4 106 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,0,0,0,0,0|2,0,0]=2 107 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,0,0,0,0,0|2,0,0]=2 108 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,0,0,0,0,0|2,0,0]=2 109 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [0,0,0,0,0,0|2,1,0]=3 110 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [0,0,0,0,0,0|2,1,0]=3 111 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [0,0,0,0,0,0|2,1,0]=3 112 B10R1.66 CC(=O)NCc1cnoc1 11a_100016995009_100015343762 [0,0,0,0,0,0|4,0,0]=4 113 B10R1.66 CC(=O)NCc1cnoc1 240690a_100016995009_100015343762 [0,0,0,0,0,0|4,0,0]=4 114 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,0,0,0,0,0|3,0,0]=3 115 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,0,0,0,0,0|3,0,0]=3 116 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,0,0,0,0,0|3,0,0]=3 117 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,0,0,0,0,0|3,0,0]=3 118 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,0,0,0,0,0|3,0,0]=3 119 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,0,0,0,0,0|3,0,0]=3 120 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [0,0,0,0,0,0|3,0,0]=3 122 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [0,0,0,0,0,0|3,0,0]=3 123 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [0,0,0,0,0,0|3,0,0]=3 124 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,0,0,0,0,0|2,0,0]=2 125 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,0,0,0,0,0|2,0,0]=2 126 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,0,0,0,0,0|2,0,0]=2 127 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,0,0,0,0,0|2,0,0]=2 128 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,0,0,0,0,0|2,1,0]=3 129 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,0,0,0,0,0|2,1,0]=3 130 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,0,0,0,0,0|2,1,0]=3 131 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,0,0,0,0,0|2,1,0]=3 132 B10R1.66 CC(=O)NCc1nnc[nH]1 11a_200015183720_100015343762 [0,0,0,0,0,0|4,0,0]=4 133 B10R1.66 CC(=O)NCc1nnc[nH]1 240690a_200015183720_100015343762 [0,0,0,0,0,0|4,0,0]=4 134 B10R1.66 CC(=O)NCc1nnc[nH]1 527a_200015183720_100103153847 [0,0,0,0,0,0|4,0,0]=4 135 B10R1.66 CC(=O)NN=C1C=CCC1 4a_100000189765_100000239507 [0,0,0,0,0,0|3,0,1]=4 136 B10R1.66 CC(=O)NN=C1CC=CC1 4a_100000189765_100000766571 [0,0,0,0,0,0|3,0,1]=4 137 B10R1.66 CC(=O)NNc1nccs1 22a_100011198208_100000070787 [0,0,0,0,0,0|3,1,0]=4 138 B10R1.66 CC(=O)OCN1CC=CC1 269982a_100015195280_100000076356 [0,0,0,0,0,0|3,0,1]=4 139 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [0,0,0,0,0,0|1,0,3]=4 140 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [0,0,0,0,0,0|2,0,1]=3 141 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [0,0,0,0,0,0|2,0,1]=3 142 B10R1.66 CC(C)CSc1cccs1 62a_100000210624_100011215356 [0,0,0,0,0,0|2,1,1]=4 143 B10R1.66 CC(C)CSc1cccs1 62a_100011215356_100000210760 [0,0,0,0,0,0|2,1,1]=4 144 B10R1.66 CC(C)CSc1cnco1 62a_100000210624_100020591547 [0,0,0,0,0,0|3,0,1]=4 145 B10R1.66 CC(C)CSc1cnco1 62a_100020591547_100000210760 [0,0,0,0,0,0|3,0,1]=4 146 B10R1.66 CC(C)CSc1ncco1 62a_100000210624_100011787736 [0,0,0,0,0,0|3,0,1]=4 147 B10R1.66 CC(C)CSc1ncco1 62a_100011787736_100000210760 [0,0,0,0,0,0|3,0,1]=4 148 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [0,0,0,0,0,0|2,0,1]=3 149 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [0,0,0,0,0,0|2,0,1]=3 150 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [0,0,0,0,0,0|2,0,1]=3 151 B10R1.66 CC(C)NCc1cccs1 207a_100138425928_100000209959 [0,0,0,0,0,0|2,1,1]=4 152 B10R1.66 CC(C)NCc1cccs1 2230a_100000211653_100000210206 [0,0,0,0,0,0|2,1,1]=4 153 B10R1.66 CC(C)NCc1ncco1 2230a_100016994969_100000210206 [0,0,0,0,0,0|3,0,1]=4 154 B10R1.66 CC(C)NCc1ncco1 2230a_100138425928_103436540062 [0,0,0,0,0,0|3,0,1]=4 155 B10R1.66 CC(C)NCc1ncco1 34a_100138425928_103436540062 [0,0,0,0,0,0|3,0,1]=4 156 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,0,0,0,0,0|2,0,1]=3 157 B10R1.66 CC(C)OCc1cccs1 34a_100000211240_100000210206 [0,0,0,0,0,0|2,1,1]=4 158 B10R1.66 CC(C)OCc1ccno1 34a_100000740478_100000210206 [0,0,0,0,0,0|3,0,1]=4 159 B10R1.66 CC(C)OCc1ncco1 34a_100000062594_100000210206 [0,0,0,0,0,0|3,0,1]=4 160 B10R1.66 CC(C)OCc1ncco1 34a_100000212225_103436540062 [0,0,0,0,0,0|3,0,1]=4 161 B10R1.66 CC(C)SCc1ncco1 62a_100000210206_103436540062 [0,0,0,0,0,0|3,0,1]=4 162 B10R1.66 CC(C)SCc1ncco1 62a_103436540062_100000210206 [0,0,0,0,0,0|3,0,1]=4 163 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,0,0,0,0,0|0,0,4]=4 164 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [0,0,0,0,0,0|1,0,2]=3 165 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [0,0,0,0,0,0|1,0,2]=3 166 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [0,0,0,0,0,0|1,1,2]=4 167 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [0,0,0,0,0,0|1,1,2]=4 168 B10R1.66 CC(O)CSc1cnco1 62a_100011218427_100020591547 [0,0,0,0,0,0|2,0,2]=4 169 B10R1.66 CC(O)CSc1cnco1 62a_100020591547_100011218427 [0,0,0,0,0,0|2,0,2]=4 170 B10R1.66 CC(O)CSc1ncco1 62a_100011218427_100011787736 [0,0,0,0,0,0|2,0,2]=4 171 B10R1.66 CC(O)CSc1ncco1 62a_100011787736_100011218427 [0,0,0,0,0,0|2,0,2]=4 172 B10R1.66 CN(C)CCc1c[nH]cn1 2230a_100102631434_100020628418 [0,0,0,0,0,0|4,0,0]=4 173 B10R1.66 CN(C)CCc1c[nH]cn1 269982a_100102631434_100020628418 [0,0,0,0,0,0|4,0,0]=4 174 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,0,0,0,0,0|2,1,0]=3 175 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,0,0,0,0,0|2,1,0]=3 176 B10R1.66 CN(C)CCn1cccc1 2230a_100102631434_200009811947 [0,0,0,0,0,0|4,0,0]=4 177 B10R1.66 CN(C)CCn1cccc1 269982a_100102631434_200000035178 [0,0,0,0,0,0|4,0,0]=4 178 B10R1.66 CN(C)CCn1cccn1 2230a_100102631434_100000685285 [0,0,0,0,0,0|4,0,0]=4 179 B10R1.66 CN(C)CCn1cccn1 269982a_100102631434_100000685285 [0,0,0,0,0,0|4,0,0]=4 180 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [0,0,0,0,0,0|1,0,2]=3 181 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [0,0,0,0,0,0|1,0,2]=3 182 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [0,0,0,0,0,0|1,1,2]=4 183 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [0,0,0,0,0,0|1,1,2]=4 184 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100009817552_100020591547 [0,0,0,0,0,0|2,0,2]=4 185 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100020591547_100009817552 [0,0,0,0,0,0|2,0,2]=4 186 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100009817552_100011787736 [0,0,0,0,0,0|2,0,2]=4 187 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100011787736_100009817552 [0,0,0,0,0,0|2,0,2]=4 188 B10R1.66 FC(F)CSc1ccco1 62a_100009814098_100011934356 [0,0,0,0,0,0|3,0,1]=4 189 B10R1.66 FC(F)CSc1ccco1 62a_100011934356_100009814098 [0,0,0,0,0,0|3,0,1]=4 190 B10R1.66 NC(=O)CCN1CC=CC1 269982a_100015195280_100000744528 [0,0,0,0,0,0|3,0,1]=4 191 B10R1.66 NC(=O)COc1ccsc1 34a_100000106738_100000187820 [0,0,0,0,0,0|4,0,0]=4 192 B10R1.66 NC(=O)COc1ccsc1 7a_100000106738_100000187820 [0,0,0,0,0,0|4,0,0]=4 193 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000747473_100000756875 [0,0,0,0,0,0|4,0,0]=4 194 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000756875_100000747473 [0,0,0,0,0,0|4,0,0]=4 195 B10R1.66 NC(=O)CSc1cc[nH]n1 62a_100000062575_100000747473 [0,0,0,0,0,0|4,0,0]=4 196 B10R1.66 NC(=O)CSc1cc[nH]n1 62a_100000747473_100000062575 [0,0,0,0,0,0|4,0,0]=4 197 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,0,0,0,0,0|2,0,0]=2 198 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,0,0,0,0,0|2,0,0]=2 199 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,0,0,0,0,0|2,1,0]=3 200 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,0,0,0,0,0|2,1,0]=3 201 B10R1.66 NC(=O)CSc1ccoc1 62a_100000747473_100011215275 [0,0,0,0,0,0|4,0,0]=4 202 B10R1.66 NC(=O)CSc1ccoc1 62a_100011215275_100000747473 [0,0,0,0,0,0|4,0,0]=4 203 B10R1.66 NC(=O)CSc1ccon1 62a_100000747473_100009818083 [0,0,0,0,0,0|4,0,0]=4 204 B10R1.66 NC(=O)CSc1ccon1 62a_100009818083_100000747473 [0,0,0,0,0,0|4,0,0]=4 205 B10R1.66 NC(=O)CSc1ccsc1 62a_100000738268_100000747473 [0,0,0,0,0,0|4,0,0]=4 206 B10R1.66 NC(=O)CSc1ccsc1 62a_100000747473_100000738268 [0,0,0,0,0,0|4,0,0]=4 207 B10R1.66 NC(=O)CSc1ccsn1 62a_100000747473_100009818082 [0,0,0,0,0,0|4,0,0]=4 208 B10R1.66 NC(=O)CSc1ccsn1 62a_100009818082_100000747473 [0,0,0,0,0,0|4,0,0]=4 209 B10R1.66 NC(=O)CSc1cnco1 62a_100000747473_100020591547 [0,0,0,0,0,0|3,0,0]=3 210 B10R1.66 NC(=O)CSc1cnco1 62a_100020591547_100000747473 [0,0,0,0,0,0|3,0,0]=3 211 B10R1.66 NC(=O)CSc1cncs1 62a_100000747473_100011934649 [0,0,0,0,0,0|3,1,0]=4 212 B10R1.66 NC(=O)CSc1cncs1 62a_100011934649_100000747473 [0,0,0,0,0,0|3,1,0]=4 213 B10R1.66 NC(=O)CSc1cscn1 62a_100000747473_100000751502 [0,0,0,0,0,0|4,0,0]=4 214 B10R1.66 NC(=O)CSc1cscn1 62a_100000751502_100000747473 [0,0,0,0,0,0|4,0,0]=4 215 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100000747473_100025796157 [0,0,0,0,0,0|4,0,0]=4 216 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100025796157_100000747473 [0,0,0,0,0,0|4,0,0]=4 217 B10R1.66 NC(=O)CSc1ncco1 62a_100000747473_100011787736 [0,0,0,0,0,0|3,0,0]=3 218 B10R1.66 NC(=O)CSc1ncco1 62a_100011787736_100000747473 [0,0,0,0,0,0|3,0,0]=3 219 B10R1.66 NC(=O)CSc1nccs1 62a_100000211983_100000747473 [0,0,0,0,0,0|3,1,0]=4 220 B10R1.66 NC(=O)CSc1nccs1 62a_100000747473_100000211983 [0,0,0,0,0,0|3,1,0]=4 221 B10R1.66 O=C([O-])COc1ccsc1 34a_100000106738_100020667443 [0,0,0,0,0,0|4,0,0]=4 222 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100000756875_100020667443 [0,0,0,0,0,0|4,0,0]=4 223 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100020667443_100000756875 [0,0,0,0,0,0|4,0,0]=4 224 B10R1.66 O=C([O-])CSc1cc[nH]n1 62a_100000062575_100020667443 [0,0,0,0,0,0|4,0,0]=4 225 B10R1.66 O=C([O-])CSc1cc[nH]n1 62a_100020667443_100000062575 [0,0,0,0,0,0|4,0,0]=4 226 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,0,0,0,0,0|2,0,0]=2 227 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,0,0,0,0,0|2,0,0]=2 228 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,0,0,0,0,0|2,1,0]=3 229 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,0,0,0,0,0|2,1,0]=3 230 B10R1.66 O=C([O-])CSc1ccoc1 62a_100011215275_100020667443 [0,0,0,0,0,0|4,0,0]=4 231 B10R1.66 O=C([O-])CSc1ccoc1 62a_100020667443_100011215275 [0,0,0,0,0,0|4,0,0]=4 232 B10R1.66 O=C([O-])CSc1ccon1 62a_100009818083_100020667443 [0,0,0,0,0,0|4,0,0]=4 233 B10R1.66 O=C([O-])CSc1ccon1 62a_100020667443_100009818083 [0,0,0,0,0,0|4,0,0]=4 234 B10R1.66 O=C([O-])CSc1ccsc1 62a_100000738268_100020667443 [0,0,0,0,0,0|4,0,0]=4 235 B10R1.66 O=C([O-])CSc1ccsc1 62a_100020667443_100000738268 [0,0,0,0,0,0|4,0,0]=4 236 B10R1.66 O=C([O-])CSc1ccsn1 62a_100009818082_100020667443 [0,0,0,0,0,0|4,0,0]=4 237 B10R1.66 O=C([O-])CSc1ccsn1 62a_100020667443_100009818082 [0,0,0,0,0,0|4,0,0]=4 238 B10R1.66 O=C([O-])CSc1cnco1 62a_100020591547_100020667443 [0,0,0,0,0,0|3,0,0]=3 239 B10R1.66 O=C([O-])CSc1cnco1 62a_100020667443_100020591547 [0,0,0,0,0,0|3,0,0]=3 240 B10R1.66 O=C([O-])CSc1cncs1 62a_100011934649_100020667443 [0,0,0,0,0,0|3,1,0]=4 241 B10R1.66 O=C([O-])CSc1cncs1 62a_100020667443_100011934649 [0,0,0,0,0,0|3,1,0]=4 242 B10R1.66 O=C([O-])CSc1cscn1 62a_100000751502_100020667443 [0,0,0,0,0,0|4,0,0]=4 243 B10R1.66 O=C([O-])CSc1cscn1 62a_100020667443_100000751502 [0,0,0,0,0,0|4,0,0]=4 244 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100020667443_100025796157 [0,0,0,0,0,0|4,0,0]=4 245 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100025796157_100020667443 [0,0,0,0,0,0|4,0,0]=4 246 B10R1.66 O=C([O-])CSc1ncco1 62a_100011787736_100020667443 [0,0,0,0,0,0|3,0,0]=3 247 B10R1.66 O=C([O-])CSc1ncco1 62a_100020667443_100011787736 [0,0,0,0,0,0|3,0,0]=3 248 B10R1.66 O=C([O-])CSc1nccs1 62a_100000211983_100020667443 [0,0,0,0,0,0|3,1,0]=4 249 B10R1.66 O=C([O-])CSc1nccs1 62a_100020667443_100000211983 [0,0,0,0,0,0|3,1,0]=4 250 B10R1.66 O=[N+]([O-])CSc1ccco1 62a_100009814098_100000761209 [0,0,0,0,0,0|3,0,0]=3 251 B10R1.66 O=[N+]([O-])CSc1cccs1 62a_100011215356_100000761209 [0,0,0,0,0,0|3,1,0]=4 252 B10R1.66 O=[N+]([O-])CSc1cnco1 62a_100020591547_100000761209 [0,0,0,0,0,0|4,0,0]=4 253 B10R1.66 O=[N+]([O-])CSc1ncco1 62a_100011787736_100000761209 [0,0,0,0,0,0|4,0,0]=4 254 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,0,0,0,0,0|2,0,2]=4 255 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,0,0,0,0|0,1,2]=3 256 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [0,0,0,0,0,0|2,0,2]=4 257 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [0,0,0,0,0,0|2,0,2]=4 258 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,0,0,0,0,0|2,0,2]=4 259 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [0,0,0,0,0,0|1,1,2]=4 260 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,0,0,0,0|0,0,4]=4 261 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,0,0,0,0,0|1,0,3]=4 262 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,0,0,0,0,0|1,0,3]=4 263 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,0,0|2,0,0]=2 264 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,0,0|1,0,0]=1 265 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,0,0|0,0,0]=0 266 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,0,0|0,1,0]=1 267 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,0,0|2,0,0]=2 268 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,0,0,0,0,0|2,0,0]=2 269 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,0,0,0,0,0|1,1,0]=2 270 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,0,0,0,0,0|2,0,0]=2 271 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,0,0,0,0,0|1,1,0]=2 272 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,0,0,0|2,0,0]=2 273 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,0,0,0,0,0|2,0,0]=2 274 B10R1.66 [13CH3]C(=O)CCn1ccnc1 1458a_100000176952_200025704644 [0,0,0,0,0,0|3,0,0]=3 275 B10R1.66 [13CH3]C(=O)CCn1ccnn1 1458a_100000741450_200025704644 [0,0,0,0,0,0|3,0,0]=3 276 B10R1.66 [13CH3]C(=O)CCn1cncn1 1458a_100000242768_200025704644 [0,0,0,0,0,0|3,0,0]=3 277 B10R1.66 [13CH3]C(=O)CCn1cnnn1 1458a_100000724085_200025704644 [0,0,0,0,0,0|4,0,0]=4 278 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [1,0,0,0,0,0|1,0,2]=4 279 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [1,0,0,0,0,0|1,0,1]=3 280 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [1,0,0,0,0,0|1,0,1]=3 281 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [1,0,0,0,0,0|1,1,1]=4 282 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [1,0,0,0,0,0|1,1,1]=4 283 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [1,0,0,0,0,0|2,0,1]=4 284 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [1,0,0,0,0,0|2,0,1]=4 285 B9R1.12 C=CCSc1ncco1 62a_100000210623_100011787736 [1,0,0,0,0,0|2,0,1]=4 286 B9R1.12 C=CCSc1ncco1 62a_100011787736_100000210623 [1,0,0,0,0,0|2,0,1]=4 287 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [1,0,0,0,0,0|2,0,1]=4 288 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [1,0,0,0,0,0|2,0,1]=4 289 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,0,0|0,0,1]=2 290 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,0,0,0|0,1,1]=3 291 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [1,0,0,0,0,0|2,0,1]=4 292 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [1,0,0,0,0,0|2,0,1]=4 293 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [1,0,0,0,0,0|2,0,1]=4 294 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [1,0,0,0,0,0|1,0,1]=3 295 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [1,0,0,0,0,0|1,1,1]=4 296 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [1,0,0,0,0,0|2,0,1]=4 297 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [1,0,0,0,0,0|2,0,1]=4 298 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [1,0,0,0,0,0|1,0,1]=3 299 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [1,0,0,0,0,0|1,1,1]=4 300 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,0,0,0,0,0|1,0,1]=3 301 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,0,0,0,0,0|1,0,1]=3 302 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [1,0,0,0,0,0|1,1,1]=4 303 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [1,0,0,0,0,0|1,1,1]=4 304 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [1,0,0,0,0,0|2,0,1]=4 305 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [1,0,0,0,0,0|2,0,1]=4 306 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [1,0,0,0,0,0|2,0,1]=4 307 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [1,0,0,0,0,0|2,0,1]=4 308 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,0,0,0,0,0|1,0,1]=3 309 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,0,0,0,0,0|1,0,1]=3 310 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,0,0,0,0,0|1,0,1]=3 311 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,0,0,0,0,0|1,0,1]=3 312 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [1,0,0,0,0,0|1,1,1]=4 313 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [1,0,0,0,0,0|1,1,1]=4 314 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [1,0,0,0,0,0|1,1,1]=4 315 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [1,0,0,0,0,0|2,0,1]=4 316 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [1,0,0,0,0,0|2,0,1]=4 317 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [1,0,0,0,0,0|2,0,1]=4 318 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [1,0,0,0,0,0|2,0,1]=4 319 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,0,0,0,0,0|1,0,1]=3 320 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,0,0,0,0,0|1,1,1]=4 321 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [1,0,0,0,0,0|2,0,1]=4 322 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [1,0,0,0,0,0|2,0,1]=4 323 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [1,0,0,0,0,0|2,0,1]=4 324 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [1,0,0,0,0,0|2,0,1]=4 325 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [1,0,0,0,0,0|2,0,1]=4 326 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [1,0,0,0,0,0|3,0,0]=4 327 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [1,0,0,0,0,0|3,0,0]=4 328 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,0,0,0,0,0|1,0,0]=2 329 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,0,0,0,0,0|1,0,0]=2 330 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,0,0,0,0,0|1,1,0]=3 331 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,0,0,0,0,0|1,1,0]=3 332 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,0,0,0,0,0|1,1,0]=3 333 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,0,0,0,0,0|1,1,0]=3 334 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,0,0,0,0,0|1,1,0]=3 335 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [1,0,0,0,0,0|3,0,0]=4 336 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [1,0,0,0,0,0|3,0,0]=4 337 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [1,0,0,0,0,0|2,1,0]=4 338 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [1,0,0,0,0,0|2,1,0]=4 339 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [1,0,0,0,0,0|3,0,0]=4 340 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [1,0,0,0,0,0|3,0,0]=4 341 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [1,0,0,0,0,0|3,0,0]=4 342 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [1,0,0,0,0,0|3,0,0]=4 343 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [1,0,0,0,0,0|3,0,0]=4 344 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [1,0,0,0,0,0|3,0,0]=4 345 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [1,0,0,0,0,0|3,0,0]=4 346 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,0,0,0,0,0|1,1,0]=3 347 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,0,0,0,0,0|1,1,0]=3 348 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,0,0,0,0,0|1,1,0]=3 349 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [1,0,0,0,0,0|3,0,0]=4 350 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [1,0,0,0,0,0|3,0,0]=4 351 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [1,0,0,0,0,0|3,0,0]=4 352 B9R1.12 COCCn1cccn1 34a_100000743371_200000210301 [1,0,0,0,0,0|3,0,0]=4 353 B9R1.12 COCCn1cccn1 34a_100138415774_100015204718 [1,0,0,0,0,0|3,0,0]=4 354 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [1,0,0,0,0,0|2,0,0]=3 355 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [1,0,0,0,0,0|2,0,0]=3 356 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [1,0,0,0,0,0|2,1,0]=4 357 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [1,0,0,0,0,0|2,1,0]=4 358 B9R1.12 COCSc1cnco1 62a_100000766300_100020591547 [1,0,0,0,0,0|3,0,0]=4 359 B9R1.12 COCSc1cnco1 62a_100020591547_100000766300 [1,0,0,0,0,0|3,0,0]=4 360 B9R1.12 COCSc1ncco1 62a_100000766300_100011787736 [1,0,0,0,0,0|3,0,0]=4 361 B9R1.12 COCSc1ncco1 62a_100011787736_100000766300 [1,0,0,0,0,0|3,0,0]=4 362 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [1,0,0,0,0,0|3,0,0]=4 363 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [1,0,0,0,0,0|3,0,0]=4 364 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,0,0,0,0,0|1,1,0]=3 365 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,0,0,0,0,0|1,1,0]=3 366 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [1,0,0,0,0,0|3,0,0]=4 367 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [1,0,0,0,0,0|3,0,0]=4 368 B9R1.12 CSCCn1cccn1 62a_100015204718_200000210301 [1,0,0,0,0,0|3,0,0]=4 369 B9R1.12 CSCCn1cccn1 62a_200000210301_100000685285 [1,0,0,0,0,0|3,0,0]=4 370 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [1,0,0,0,0,0|2,0,0]=3 371 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [1,0,0,0,0,0|2,0,0]=3 372 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [1,0,0,0,0,0|2,1,0]=4 373 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [1,0,0,0,0,0|2,1,0]=4 374 B9R1.12 CSCSc1cnco1 62a_100011218213_100020591547 [1,0,0,0,0,0|3,0,0]=4 375 B9R1.12 CSCSc1cnco1 62a_100020591547_100011218213 [1,0,0,0,0,0|3,0,0]=4 376 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [1,0,0,0,0,0|3,0,0]=4 377 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [1,0,0,0,0,0|3,0,0]=4 378 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [1,0,0,0,0,0|2,0,1]=4 379 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [1,0,0,0,0,0|2,0,1]=4 380 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [1,0,0,0,0,0|2,0,1]=4 381 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [1,0,0,0,0,0|2,0,1]=4 382 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [1,0,0,0,0,0|2,0,1]=4 383 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [1,0,0,0,0,0|2,0,1]=4 384 B9R1.12 O=CCOc1ccsc1 34a_100000106738_200009817547 [1,0,0,0,0,0|3,0,0]=4 385 B9R1.12 O=CCOc1ccsc1 7a_100000106738_200015260668 [1,0,0,0,0,0|3,0,0]=4 386 B9R1.12 O=CCSc1c[nH]cn1 62a_100000756875_200015260668 [1,0,0,0,0,0|3,0,0]=4 387 B9R1.12 O=CCSc1c[nH]cn1 62a_200015260668_100000756875 [1,0,0,0,0,0|3,0,0]=4 388 B9R1.12 O=CCSc1cc[nH]n1 62a_100000062575_200015260668 [1,0,0,0,0,0|3,0,0]=4 389 B9R1.12 O=CCSc1cc[nH]n1 62a_200015260668_100000062575 [1,0,0,0,0,0|3,0,0]=4 390 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [1,0,0,0,0,0|1,0,0]=2 391 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [1,0,0,0,0,0|1,0,0]=2 392 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [1,0,0,0,0,0|1,1,0]=3 393 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [1,0,0,0,0,0|1,1,0]=3 394 B9R1.12 O=CCSc1ccoc1 62a_100011215275_200015260668 [1,0,0,0,0,0|3,0,0]=4 395 B9R1.12 O=CCSc1ccoc1 62a_200015260668_100011215275 [1,0,0,0,0,0|3,0,0]=4 396 B9R1.12 O=CCSc1ccon1 62a_100009818083_200015260668 [1,0,0,0,0,0|3,0,0]=4 397 B9R1.12 O=CCSc1ccon1 62a_200015260668_100009818083 [1,0,0,0,0,0|3,0,0]=4 398 B9R1.12 O=CCSc1ccsc1 62a_100000738268_200015260668 [1,0,0,0,0,0|3,0,0]=4 399 B9R1.12 O=CCSc1ccsc1 62a_200015260668_100000738268 [1,0,0,0,0,0|3,0,0]=4 400 B9R1.12 O=CCSc1ccsn1 62a_100009818082_200015260668 [1,0,0,0,0,0|3,0,0]=4 401 B9R1.12 O=CCSc1ccsn1 62a_200015260668_100009818082 [1,0,0,0,0,0|3,0,0]=4 402 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [1,0,0,0,0,0|2,0,0]=3 403 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [1,0,0,0,0,0|2,0,0]=3 404 B9R1.12 O=CCSc1cncs1 62a_100011934649_200015260668 [1,0,0,0,0,0|2,1,0]=4 405 B9R1.12 O=CCSc1cncs1 62a_200015260668_100011934649 [1,0,0,0,0,0|2,1,0]=4 406 B9R1.12 O=CCSc1cscn1 62a_100000751502_200015260668 [1,0,0,0,0,0|3,0,0]=4 407 B9R1.12 O=CCSc1cscn1 62a_200015260668_100000751502 [1,0,0,0,0,0|3,0,0]=4 408 B9R1.12 O=CCSc1ncc[nH]1 62a_100025796157_200015260668 [1,0,0,0,0,0|3,0,0]=4 409 B9R1.12 O=CCSc1ncc[nH]1 62a_200015260668_100025796157 [1,0,0,0,0,0|3,0,0]=4 410 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [1,0,0,0,0,0|2,0,0]=3 411 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [1,0,0,0,0,0|2,0,0]=3 412 B9R1.12 O=CCSc1nccs1 62a_100000211983_200015260668 [1,0,0,0,0,0|2,1,0]=4 413 B9R1.12 O=CCSc1nccs1 62a_200015260668_100000211983 [1,0,0,0,0,0|2,1,0]=4 414 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [1,0,0,0,0,0|1,0,2]=4 415 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [1,0,0,0,0,0|1,0,2]=4 416 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,0,0,0,0,0|1,0,0]=2 417 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,0,0,0,0,0|1,0,0]=2 418 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,0,0,0,0,0|1,1,0]=3 419 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,0,0,0,0,0|1,1,0]=3 420 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [1,0,0,0,0,0|3,0,0]=4 421 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [1,0,0,0,0,0|3,0,0]=4 422 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [1,0,0,0,0,0|2,1,0]=4 423 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [1,0,0,0,0,0|2,1,0]=4 424 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [1,0,0,0,0,0|3,0,0]=4 425 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [1,0,0,0,0,0|3,0,0]=4 426 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,0,0,0,0,0|1,1,0]=3 427 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,0,0,0,0,0|1,1,0]=3 428 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [1,0,0,0,0,0|3,0,0]=4 429 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [1,0,0,0,0,0|3,0,0]=4 430 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [1,0,0,0,0,0|3,0,0]=4 431 B9R1.12 [13CH3]OCCn1cccn1 34a_100000743371_200025704644 [1,0,0,0,0,0|3,0,0]=4 432 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [1,0,0,0,0,0|3,0,0]=4 433 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [1,0,0,0,0,0|3,0,0]=4 434 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,0,0,0,0,0|1,1,0]=3 435 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,0,0,0,0,0|1,1,0]=3 436 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [1,0,0,0,0,0|3,0,0]=4 437 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [1,0,0,0,0,0|3,0,0]=4 438 B9R1.12 [13CH3]SCCn1cccn1 62a_100015204718_200025704644 [1,0,0,0,0,0|3,0,0]=4 439 B9R1.12 [13CH3]SCCn1cccn1 62a_200025704644_100000685285 [1,0,0,0,0,0|3,0,0]=4 440 B11R1.25 C#CC(=O)CCc1c[nH]cn1 1458a_100000211873_100020628418 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.25 C#CC(=O)CCc1cccs1 1458a_100000211873_100000748579 [0,1,0,0,0,0|0,1,1]=3 442 B11R1.25 C#CC(=O)CCn1cccc1 1458a_100000211873_200000035178 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.25 C#CC(=O)CCn1cccn1 1458a_100000211873_100000685285 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.25 C#CC(C)NCc1ccco1 270004a_100000707721_100000186105 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.25 C#CC(C)NCc1ccco1 34a_100000185738_200000035995 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.25 C#CC(C)OCc1ccco1 34a_100000210059_200000035995 [0,1,0,0,0,0|2,0,1]=4 447 B11R1.25 C=C(C#N)CSc1ccco1 62a_100009814098_100000694840 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.25 C=CC(=O)CCc1c[nH]cn1 1458a_100000185746_100020628418 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.25 C=CC(=O)CCc1cccs1 1458a_100000185746_100000748579 [0,1,0,0,0,0|0,1,1]=3 450 B11R1.25 C=CC(=O)CCn1cccc1 1458a_100000185746_200000035178 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.25 C=CC(=O)CCn1cccn1 1458a_100000185746_100000685285 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.25 C=CC(=O)NCc1ccc[nH]1 240690a_100000764082_200121576911 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.25 C=CC(=O)NCc1ccco1 1626a_100000185738_100000185746 [0,1,0,0,0,0|1,0,1]=3 454 B11R1.25 C=CC(=O)NCc1ccco1 240690a_100000185738_200121576911 [0,1,0,0,0,0|1,0,1]=3 455 B11R1.25 C=CC(=O)NCc1cccs1 1626a_100000211653_100000185746 [0,1,0,0,0,0|1,1,1]=4 456 B11R1.25 C=CC(=O)NCc1cccs1 240690a_100000211653_200121576911 [0,1,0,0,0,0|1,1,1]=4 457 B11R1.25 C=CC(=O)NCc1cnco1 240690a_100020634212_200121576911 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.25 C=CC(=O)NCc1ncco1 1626a_100016994969_100000185746 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.25 C=CC(=O)NCc1ncco1 240690a_100016994969_200121576911 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.25 CC(C#N)NCc1ccco1 2230a_100000185738_100000184139 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [0,1,0,0,0,0|1,0,1]=3 462 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [0,1,0,0,0,0|1,0,1]=3 463 B11R1.25 CC(CO)NCc1ccco1 2230a_100000185738_100012180447 [0,1,0,0,0,0|1,0,2]=4 464 B11R1.25 CC(CO)NCc1ccco1 34a_100000185738_100012180447 [0,1,0,0,0,0|1,0,2]=4 465 B11R1.25 CC(CO)OCc1ccco1 34a_100000210059_100012180447 [0,1,0,0,0,0|1,0,2]=4 466 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [0,1,0,0,0,0|0,1,2]=4 467 B11R1.25 CCC(=O)CCc1c[nH]cn1 1458a_100000210414_100020628418 [0,1,0,0,0,0|2,0,0]=3 468 B11R1.25 CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210202 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,1,0,0,0,0|1,0,0]=2 470 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,1,0,0,0,0|0,0,0]=1 471 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,1,0,0,0,0|0,1,0]=2 472 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,1,0,0,0,0|0,1,0]=2 473 B11R1.25 CCC(=O)CCc1ccsc1 1458a_100000195497_100000210202 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.25 CCC(=O)CCc1cn[nH]c1 1458a_100000210414_100000743252 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.25 CCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210202 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.25 CCC(=O)CCc1cncs1 1458a_100012184922_100000210202 [0,1,0,0,0,0|1,1,0]=3 477 B11R1.25 CCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210202 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [0,1,0,0,0,0|1,1,0]=3 479 B11R1.25 CCC(=O)CCn1cccc1 1458a_100000210414_200000035178 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.25 CCC(=O)CCn1cccc1 1458a_100011196273_100000210202 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000210414_100000685285 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000242649_100000210202 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.25 CCC(=O)CCn1ccnc1 1458a_100000176952_100000210202 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.25 CCC(=O)CCn1ccnc1 1458a_100000210414_100000702546 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.25 CCC(=O)CCn1ccnn1 1458a_100000741450_100000210202 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.25 CCC(=O)CCn1cncn1 1458a_100000210414_100000731791 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.25 CCC(=O)CCn1cncn1 1458a_100000242768_100000210202 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.25 CCC(=O)COc1ccsc1 7a_100000106738_100000747405 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000747405_100000756875 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000756875_100000747405 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.25 CCC(=O)CSc1cc[nH]n1 62a_100000062575_100000747405 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.25 CCC(=O)CSc1cc[nH]n1 62a_100000747405_100000062575 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [0,1,0,0,0,0|1,0,0]=2 494 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [0,1,0,0,0,0|1,0,0]=2 495 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [0,1,0,0,0,0|1,1,0]=3 496 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [0,1,0,0,0,0|1,1,0]=3 497 B11R1.25 CCC(=O)CSc1ccoc1 62a_100000747405_100011215275 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.25 CCC(=O)CSc1ccoc1 62a_100011215275_100000747405 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.25 CCC(=O)CSc1ccon1 62a_100000747405_100009818083 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.25 CCC(=O)CSc1ccon1 62a_100009818083_100000747405 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.25 CCC(=O)CSc1ccsc1 62a_100000738268_100000747405 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.25 CCC(=O)CSc1ccsc1 62a_100000747405_100000738268 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.25 CCC(=O)CSc1ccsn1 62a_100000747405_100009818082 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.25 CCC(=O)CSc1ccsn1 62a_100009818082_100000747405 [0,1,0,0,0,0|3,0,0]=4 505 B11R1.25 CCC(=O)CSc1cnco1 62a_100000747405_100020591547 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.25 CCC(=O)CSc1cnco1 62a_100020591547_100000747405 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.25 CCC(=O)CSc1cncs1 62a_100000747405_100011934649 [0,1,0,0,0,0|2,1,0]=4 508 B11R1.25 CCC(=O)CSc1cncs1 62a_100011934649_100000747405 [0,1,0,0,0,0|2,1,0]=4 509 B11R1.25 CCC(=O)CSc1cscn1 62a_100000747405_100000751502 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.25 CCC(=O)CSc1cscn1 62a_100000751502_100000747405 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.25 CCC(=O)CSc1ncc[nH]1 62a_100000747405_100025796157 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.25 CCC(=O)CSc1ncc[nH]1 62a_100025796157_100000747405 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.25 CCC(=O)CSc1ncco1 62a_100000747405_100011787736 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.25 CCC(=O)CSc1ncco1 62a_100011787736_100000747405 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.25 CCC(=O)CSc1nccs1 62a_100000211983_100000747405 [0,1,0,0,0,0|2,1,0]=4 516 B11R1.25 CCC(=O)CSc1nccs1 62a_100000747405_100000211983 [0,1,0,0,0,0|2,1,0]=4 517 B11R1.25 CCC(=O)NCc1c[nH]cn1 11a_100000758547_100000210414 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.25 CCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210414 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.25 CCC(=O)NCc1c[nH]cn1 527a_100000758547_100000210414 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.25 CCC(=O)NCc1cc[nH]n1 11a_100000739516_100000210414 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.25 CCC(=O)NCc1cc[nH]n1 240690a_100000739516_100000210414 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.25 CCC(=O)NCc1cc[nH]n1 527a_100000739516_100000210414 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.25 CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210414 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.25 CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210414 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.25 CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210414 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,1,0,0,0,0|1,0,0]=2 527 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,1,0,0,0,0|1,0,0]=2 528 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,1,0,0,0,0|1,0,0]=2 529 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,1,0,0,0,0|1,0,0]=2 530 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [0,1,0,0,0,0|1,1,0]=3 531 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [0,1,0,0,0,0|1,1,0]=3 532 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [0,1,0,0,0,0|1,1,0]=3 533 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [0,1,0,0,0,0|1,1,0]=3 534 B11R1.25 CCC(=O)NCc1ccoc1 11a_100015206860_100000210414 [0,1,0,0,0,0|3,0,0]=4 535 B11R1.25 CCC(=O)NCc1ccoc1 1626a_100015206860_100000210414 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.25 CCC(=O)NCc1ccoc1 240690a_100015206860_100000210414 [0,1,0,0,0,0|3,0,0]=4 537 B11R1.25 CCC(=O)NCc1ccoc1 527a_100015206860_100000210414 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.25 CCC(=O)NCc1ccon1 11a_100000688301_100000210414 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.25 CCC(=O)NCc1ccon1 240690a_100000688301_100000210414 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.25 CCC(=O)NCc1ccon1 527a_100000688301_100000210414 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.25 CCC(=O)NCc1ccsc1 11a_100000186416_100000210414 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.25 CCC(=O)NCc1ccsc1 1626a_100000186416_100000210414 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.25 CCC(=O)NCc1ccsc1 240690a_100000186416_100000210414 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.25 CCC(=O)NCc1ccsc1 527a_100000186416_100000210414 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.25 CCC(=O)NCc1cnco1 11a_100020634212_100000210414 [0,1,0,0,0,0|2,0,0]=3 546 B11R1.25 CCC(=O)NCc1cnco1 240690a_100020634212_100000210414 [0,1,0,0,0,0|2,0,0]=3 547 B11R1.25 CCC(=O)NCc1cnco1 527a_100020634212_100000210414 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.25 CCC(=O)NCc1cncs1 11a_100016987365_100000210414 [0,1,0,0,0,0|2,1,0]=4 549 B11R1.25 CCC(=O)NCc1cncs1 240690a_100016987365_100000210414 [0,1,0,0,0,0|2,1,0]=4 550 B11R1.25 CCC(=O)NCc1cncs1 527a_100016987365_100000210414 [0,1,0,0,0,0|2,1,0]=4 551 B11R1.25 CCC(=O)NCc1cocn1 11a_100015188801_100000210414 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.25 CCC(=O)NCc1cocn1 240690a_100015188801_100000210414 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.25 CCC(=O)NCc1cocn1 527a_100015188801_100000210414 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.25 CCC(=O)NCc1cscn1 11a_100015185402_100000210414 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.25 CCC(=O)NCc1cscn1 1626a_100015185402_100000210414 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.25 CCC(=O)NCc1cscn1 240690a_100015185402_100000210414 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.25 CCC(=O)NCc1cscn1 527a_100015185402_100000210414 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.25 CCC(=O)NCc1ncc[nH]1 11a_100000754540_100000210414 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.25 CCC(=O)NCc1ncc[nH]1 240690a_100000754540_100000210414 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.25 CCC(=O)NCc1ncc[nH]1 527a_100000754540_100000210414 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.25 CCC(=O)NCc1ncco1 11a_100016994969_100000210414 [0,1,0,0,0,0|2,0,0]=3 562 B11R1.25 CCC(=O)NCc1ncco1 1626a_100016994969_100000210414 [0,1,0,0,0,0|2,0,0]=3 563 B11R1.25 CCC(=O)NCc1ncco1 240690a_100016994969_100000210414 [0,1,0,0,0,0|2,0,0]=3 564 B11R1.25 CCC(=O)NCc1ncco1 527a_100016994969_100000210414 [0,1,0,0,0,0|2,0,0]=3 565 B11R1.25 CCC(=O)NCc1nccs1 11a_100000740555_100000210414 [0,1,0,0,0,0|2,1,0]=4 566 B11R1.25 CCC(=O)NCc1nccs1 1626a_100000740555_100000210414 [0,1,0,0,0,0|2,1,0]=4 567 B11R1.25 CCC(=O)NCc1nccs1 240690a_100000740555_100000210414 [0,1,0,0,0,0|2,1,0]=4 568 B11R1.25 CCC(=O)NCc1nccs1 527a_100000740555_100000210414 [0,1,0,0,0,0|2,1,0]=4 569 B11R1.25 CCC(C)CSc1ccco1 62a_100000748023_100009814098 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.25 CCC(C)CSc1ccco1 62a_100009814098_100000748023 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.25 CCC(C)NCc1ccco1 207a_100000209981_100000186105 [0,1,0,0,0,0|2,0,1]=4 572 B11R1.25 CCC(C)NCc1ccco1 2230a_100000185738_100000758301 [0,1,0,0,0,0|2,0,1]=4 573 B11R1.25 CCC(C)NCc1ccco1 270004a_100000209981_100000186105 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.25 CCC(C)NCc1ccco1 34a_100000185738_100011215416 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.25 CCC(O)CSc1ccco1 62a_100009814098_100011218378 [0,1,0,0,0,0|1,0,2]=4 577 B11R1.25 CCC(O)CSc1ccco1 62a_100011218378_100009814098 [0,1,0,0,0,0|1,0,2]=4 578 B11R1.25 CCN(C)CCc1cccs1 2230a_100000225621_100000748579 [0,1,0,0,0,0|2,1,0]=4 579 B11R1.25 CCN(C)CCc1cccs1 269982a_100000225621_100000748579 [0,1,0,0,0,0|2,1,0]=4 580 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009814098_100009816398 [0,1,0,0,0,0|2,0,1]=4 581 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009816398_100009814098 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,1,0,0,0,0|0,1,2]=4 583 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,1,0,0,0,0|0,1,2]=4 584 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,1,0,0,0,0|0,1,2]=4 585 B11R1.25 CNC(=O)CCN1CC=CC1 269982a_100015195280_100000737683 [0,1,0,0,0,0|2,0,1]=4 586 B11R1.25 CNC(=O)CCc1cc[nH]c1 11a_106832991635_200000093579 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.25 CNC(=O)CCc1cc[nH]c1 240690a_100102657272_200000093579 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.25 CNC(=O)CCc1cc[nH]c1 527a_100102657272_200000093579 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [0,1,0,0,0,0|1,0,0]=2 590 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [0,1,0,0,0,0|1,0,0]=2 591 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [0,1,0,0,0,0|1,0,0]=2 592 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,1,0,0,0,0|0,0,0]=1 593 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,1,0,0,0,0|0,0,0]=1 594 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,1,0,0,0,0|0,0,0]=1 595 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [0,1,0,0,0,0|0,1,0]=2 596 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [0,1,0,0,0,0|0,1,0]=2 597 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [0,1,0,0,0,0|0,1,0]=2 598 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [0,1,0,0,0,0|0,1,0]=2 599 B11R1.25 CNC(=O)CCc1ccsc1 11a_106832991635_100000195497 [0,1,0,0,0,0|2,0,0]=3 600 B11R1.25 CNC(=O)CCc1ccsc1 1626a_100102657272_100000195497 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.25 CNC(=O)CCc1ccsc1 240690a_100102657272_100000195497 [0,1,0,0,0,0|2,0,0]=3 602 B11R1.25 CNC(=O)CCc1ccsc1 527a_100102657272_100000195497 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.25 CNC(=O)CCc1cnc[nH]1 240690a_100102657272_100000044180 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.25 CNC(=O)CCc1cnc[nH]1 527a_100102657272_100000044180 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.25 CNC(=O)CCc1cncs1 11a_106832991635_100012184922 [0,1,0,0,0,0|1,1,0]=3 606 B11R1.25 CNC(=O)CCc1cncs1 1626a_100102657272_100012184922 [0,1,0,0,0,0|1,1,0]=3 607 B11R1.25 CNC(=O)CCc1cncs1 240690a_100102657272_100012184922 [0,1,0,0,0,0|1,1,0]=3 608 B11R1.25 CNC(=O)CCc1cncs1 527a_100102657272_100012184922 [0,1,0,0,0,0|1,1,0]=3 609 B11R1.25 CNC(=O)CCc1ncc[nH]1 240690a_100102657272_100000722789 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.25 CNC(=O)CCc1ncc[nH]1 527a_100102657272_100000722789 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.25 CNC(=O)CCc1nccs1 11a_106832991635_100000742873 [0,1,0,0,0,0|1,1,0]=3 612 B11R1.25 CNC(=O)CCc1nccs1 1626a_100102657272_100000742873 [0,1,0,0,0,0|1,1,0]=3 613 B11R1.25 CNC(=O)CCc1nccs1 240690a_100102657272_100000742873 [0,1,0,0,0,0|1,1,0]=3 614 B11R1.25 CNC(=O)CCc1nccs1 527a_100102657272_100000742873 [0,1,0,0,0,0|1,1,0]=3 615 B11R1.25 CNC(=O)CCn1cccc1 11a_106832991635_100011196273 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.25 CNC(=O)CCn1cccc1 1626a_100102657272_100011196273 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.25 CNC(=O)CCn1cccc1 527a_100102657272_100011196273 [0,1,0,0,0,0|2,0,0]=3 618 B11R1.25 CNC(=O)CCn1cccn1 11a_106832991635_100000242649 [0,1,0,0,0,0|2,0,0]=3 619 B11R1.25 CNC(=O)CCn1cccn1 1626a_100102657272_100000242649 [0,1,0,0,0,0|2,0,0]=3 620 B11R1.25 CNC(=O)CCn1cccn1 240690a_100102657272_100000242649 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.25 CNC(=O)CCn1cccn1 527a_100102657272_100000242649 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.25 CNC(=O)CCn1ccnc1 11a_106832991635_100000176952 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.25 CNC(=O)CCn1ccnc1 1626a_100102657272_100000176952 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.25 CNC(=O)CCn1ccnc1 240690a_100102657272_100000176952 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.25 CNC(=O)CCn1ccnc1 527a_100102657272_100000176952 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.25 CNC(=O)CCn1ccnn1 11a_106832991635_100000741450 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.25 CNC(=O)CCn1ccnn1 1626a_100102657272_100000741450 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.25 CNC(=O)CCn1ccnn1 240690a_100102657272_100000741450 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.25 CNC(=O)CCn1ccnn1 527a_100102657272_100000741450 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.25 CNC(=O)CCn1cncn1 11a_106832991635_100000242768 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.25 CNC(=O)CCn1cncn1 1626a_100102657272_100000242768 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.25 CNC(=O)CCn1cncn1 240690a_100102657272_100000242768 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.25 CNC(=O)CCn1cncn1 527a_100102657272_100000242768 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.25 CNC(=O)COc1ccsc1 34a_100000106738_100000183359 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.25 CNC(=O)COc1ccsc1 7a_100000106738_100000183359 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.25 CNC(=O)CSc1c[nH]cn1 62a_100000183359_100000756875 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.25 CNC(=O)CSc1c[nH]cn1 62a_100000756875_100000183359 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.25 CNC(=O)CSc1cc[nH]n1 62a_100000062575_100000183359 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.25 CNC(=O)CSc1cc[nH]n1 62a_100000183359_100000062575 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [0,1,0,0,0,0|1,0,0]=2 641 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [0,1,0,0,0,0|1,0,0]=2 642 B11R1.25 CNC(=O)CSc1cccs1 62a_100000183359_100011215356 [0,1,0,0,0,0|1,1,0]=3 643 B11R1.25 CNC(=O)CSc1cccs1 62a_100011215356_100000183359 [0,1,0,0,0,0|1,1,0]=3 644 B11R1.25 CNC(=O)CSc1ccoc1 62a_100000183359_100011215275 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.25 CNC(=O)CSc1ccoc1 62a_100011215275_100000183359 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.25 CNC(=O)CSc1ccon1 62a_100000183359_100009818083 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.25 CNC(=O)CSc1ccon1 62a_100009818083_100000183359 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.25 CNC(=O)CSc1ccsc1 62a_100000183359_100000738268 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.25 CNC(=O)CSc1ccsc1 62a_100000738268_100000183359 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.25 CNC(=O)CSc1ccsn1 62a_100000183359_100009818082 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.25 CNC(=O)CSc1ccsn1 62a_100009818082_100000183359 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.25 CNC(=O)CSc1cnco1 62a_100000183359_100020591547 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.25 CNC(=O)CSc1cnco1 62a_100020591547_100000183359 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.25 CNC(=O)CSc1cncs1 62a_100000183359_100011934649 [0,1,0,0,0,0|2,1,0]=4 655 B11R1.25 CNC(=O)CSc1cncs1 62a_100011934649_100000183359 [0,1,0,0,0,0|2,1,0]=4 656 B11R1.25 CNC(=O)CSc1cscn1 62a_100000183359_100000751502 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.25 CNC(=O)CSc1cscn1 62a_100000751502_100000183359 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.25 CNC(=O)CSc1ncc[nH]1 62a_100000183359_100025796157 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.25 CNC(=O)CSc1ncc[nH]1 62a_100025796157_100000183359 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.25 CNC(=O)CSc1ncco1 62a_100000183359_100011787736 [0,1,0,0,0,0|2,0,0]=3 661 B11R1.25 CNC(=O)CSc1ncco1 62a_100011787736_100000183359 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.25 CNC(=O)CSc1nccs1 11a_106832991635_100000739254 [0,1,0,0,0,0|2,1,0]=4 663 B11R1.25 CNC(=O)CSc1nccs1 1626a_100102657272_100000739254 [0,1,0,0,0,0|2,1,0]=4 664 B11R1.25 CNC(=O)CSc1nccs1 240690a_100102657272_100000739254 [0,1,0,0,0,0|2,1,0]=4 665 B11R1.25 CNC(=O)CSc1nccs1 62a_100000183359_100000211983 [0,1,0,0,0,0|2,1,0]=4 666 B11R1.25 CNC(=O)CSc1nccs1 62a_100000211983_100000183359 [0,1,0,0,0,0|2,1,0]=4 667 B11R1.25 CNC(=O)NCc1c[nH]cn1 2708a_100000758547_106832991635 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.25 CNC(=O)NCc1c[nH]cn1 2708a_100102657272_100000758547 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.25 CNC(=O)NCc1c[nH]cn1 273464a_100000758547_100102657272 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.25 CNC(=O)NCc1c[nH]cn1 273464a_100102657272_100000758547 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.25 CNC(=O)NCc1c[nH]cn1 512a_100000758547_100102657272 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.25 CNC(=O)NCc1c[nH]cn1 512a_106832991638_100000758547 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.25 CNC(=O)NCc1cc[nH]n1 2708a_100000739516_106832991635 [0,1,0,0,0,0|3,0,0]=4 674 B11R1.25 CNC(=O)NCc1cc[nH]n1 2708a_100102657272_100000739516 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.25 CNC(=O)NCc1cc[nH]n1 273464a_100000739516_100102657272 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.25 CNC(=O)NCc1cc[nH]n1 273464a_100102657272_100000739516 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.25 CNC(=O)NCc1cc[nH]n1 512a_100000739516_100102657272 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.25 CNC(=O)NCc1cc[nH]n1 512a_106832991638_100000739516 [0,1,0,0,0,0|3,0,0]=4 679 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100000764082_100102657272 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100102657272_100000764082 [0,1,0,0,0,0|2,0,0]=3 681 B11R1.25 CNC(=O)NCc1ccc[nH]1 512a_106832991638_100000764082 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,1,0,0,0,0|1,0,0]=2 683 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,1,0,0,0,0|1,0,0]=2 684 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,1,0,0,0,0|1,0,0]=2 685 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,1,0,0,0,0|1,0,0]=2 686 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,1,0,0,0,0|1,0,0]=2 687 B11R1.25 CNC(=O)NCc1cccs1 2708a_100000211653_106832991635 [0,1,0,0,0,0|1,1,0]=3 688 B11R1.25 CNC(=O)NCc1cccs1 2708a_100102657272_100000211653 [0,1,0,0,0,0|1,1,0]=3 689 B11R1.25 CNC(=O)NCc1cccs1 273464a_100000211653_100102657272 [0,1,0,0,0,0|1,1,0]=3 690 B11R1.25 CNC(=O)NCc1cccs1 273464a_100102657272_100000211653 [0,1,0,0,0,0|1,1,0]=3 691 B11R1.25 CNC(=O)NCc1cccs1 512a_100000211653_100102657272 [0,1,0,0,0,0|1,1,0]=3 692 B11R1.25 CNC(=O)NCc1cccs1 512a_106832991638_100000211653 [0,1,0,0,0,0|1,1,0]=3 693 B11R1.25 CNC(=O)NCc1ccoc1 2708a_100015206860_106832991635 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.25 CNC(=O)NCc1ccoc1 2708a_100102657272_100015206860 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.25 CNC(=O)NCc1ccoc1 273464a_100015206860_100102657272 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.25 CNC(=O)NCc1ccoc1 273464a_100102657272_100015206860 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.25 CNC(=O)NCc1ccoc1 512a_100015206860_100102657272 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.25 CNC(=O)NCc1ccoc1 512a_106832991638_100015206860 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.25 CNC(=O)NCc1ccon1 2708a_100000688301_106832991635 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.25 CNC(=O)NCc1ccon1 2708a_100102657272_100000688301 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.25 CNC(=O)NCc1ccon1 273464a_100000688301_100102657272 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.25 CNC(=O)NCc1ccon1 273464a_100102657272_100000688301 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.25 CNC(=O)NCc1ccon1 512a_100000688301_100102657272 [0,1,0,0,0,0|3,0,0]=4 704 B11R1.25 CNC(=O)NCc1ccon1 512a_106832991638_100000688301 [0,1,0,0,0,0|3,0,0]=4 705 B11R1.25 CNC(=O)NCc1ccsc1 2708a_100000186416_106832991635 [0,1,0,0,0,0|3,0,0]=4 706 B11R1.25 CNC(=O)NCc1ccsc1 2708a_100102657272_100000186416 [0,1,0,0,0,0|3,0,0]=4 707 B11R1.25 CNC(=O)NCc1ccsc1 273464a_100000186416_100102657272 [0,1,0,0,0,0|3,0,0]=4 708 B11R1.25 CNC(=O)NCc1ccsc1 273464a_100102657272_100000186416 [0,1,0,0,0,0|3,0,0]=4 709 B11R1.25 CNC(=O)NCc1ccsc1 512a_100000186416_100102657272 [0,1,0,0,0,0|3,0,0]=4 710 B11R1.25 CNC(=O)NCc1ccsc1 512a_106832991638_100000186416 [0,1,0,0,0,0|3,0,0]=4 711 B11R1.25 CNC(=O)NCc1cnco1 2708a_100020634212_106832991635 [0,1,0,0,0,0|2,0,0]=3 712 B11R1.25 CNC(=O)NCc1cnco1 2708a_100102657272_100020634212 [0,1,0,0,0,0|2,0,0]=3 713 B11R1.25 CNC(=O)NCc1cnco1 273464a_100020634212_100102657272 [0,1,0,0,0,0|2,0,0]=3 714 B11R1.25 CNC(=O)NCc1cnco1 273464a_100102657272_100020634212 [0,1,0,0,0,0|2,0,0]=3 715 B11R1.25 CNC(=O)NCc1cnco1 512a_100020634212_100102657272 [0,1,0,0,0,0|2,0,0]=3 716 B11R1.25 CNC(=O)NCc1cnco1 512a_106832991638_100020634212 [0,1,0,0,0,0|2,0,0]=3 717 B11R1.25 CNC(=O)NCc1cncs1 2708a_100016987365_106832991635 [0,1,0,0,0,0|2,1,0]=4 718 B11R1.25 CNC(=O)NCc1cncs1 2708a_100102657272_100016987365 [0,1,0,0,0,0|2,1,0]=4 719 B11R1.25 CNC(=O)NCc1cncs1 273464a_100016987365_100102657272 [0,1,0,0,0,0|2,1,0]=4 720 B11R1.25 CNC(=O)NCc1cncs1 273464a_100102657272_100016987365 [0,1,0,0,0,0|2,1,0]=4 721 B11R1.25 CNC(=O)NCc1cncs1 512a_100016987365_100102657272 [0,1,0,0,0,0|2,1,0]=4 722 B11R1.25 CNC(=O)NCc1cncs1 512a_106832991638_100016987365 [0,1,0,0,0,0|2,1,0]=4 723 B11R1.25 CNC(=O)NCc1cocn1 2708a_100015188801_106832991635 [0,1,0,0,0,0|3,0,0]=4 724 B11R1.25 CNC(=O)NCc1cocn1 2708a_100102657272_100015188801 [0,1,0,0,0,0|3,0,0]=4 725 B11R1.25 CNC(=O)NCc1cocn1 273464a_100015188801_100102657272 [0,1,0,0,0,0|3,0,0]=4 726 B11R1.25 CNC(=O)NCc1cocn1 273464a_100102657272_100015188801 [0,1,0,0,0,0|3,0,0]=4 727 B11R1.25 CNC(=O)NCc1cocn1 512a_100015188801_100102657272 [0,1,0,0,0,0|3,0,0]=4 728 B11R1.25 CNC(=O)NCc1cocn1 512a_106832991638_100015188801 [0,1,0,0,0,0|3,0,0]=4 729 B11R1.25 CNC(=O)NCc1cscn1 2708a_100015185402_106832991635 [0,1,0,0,0,0|3,0,0]=4 730 B11R1.25 CNC(=O)NCc1cscn1 2708a_100102657272_100015185402 [0,1,0,0,0,0|3,0,0]=4 731 B11R1.25 CNC(=O)NCc1cscn1 273464a_100015185402_100102657272 [0,1,0,0,0,0|3,0,0]=4 732 B11R1.25 CNC(=O)NCc1cscn1 273464a_100102657272_100015185402 [0,1,0,0,0,0|3,0,0]=4 733 B11R1.25 CNC(=O)NCc1cscn1 512a_100015185402_100102657272 [0,1,0,0,0,0|3,0,0]=4 734 B11R1.25 CNC(=O)NCc1cscn1 512a_106832991638_100015185402 [0,1,0,0,0,0|3,0,0]=4 735 B11R1.25 CNC(=O)NCc1ncc[nH]1 2708a_100000754540_106832991635 [0,1,0,0,0,0|3,0,0]=4 736 B11R1.25 CNC(=O)NCc1ncc[nH]1 2708a_100102657272_100000754540 [0,1,0,0,0,0|3,0,0]=4 737 B11R1.25 CNC(=O)NCc1ncc[nH]1 273464a_100000754540_100102657272 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.25 CNC(=O)NCc1ncc[nH]1 273464a_100102657272_100000754540 [0,1,0,0,0,0|3,0,0]=4 739 B11R1.25 CNC(=O)NCc1ncc[nH]1 512a_100000754540_100102657272 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.25 CNC(=O)NCc1ncc[nH]1 512a_106832991638_100000754540 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.25 CNC(=O)NCc1ncco1 2708a_100016994969_106832991635 [0,1,0,0,0,0|2,0,0]=3 742 B11R1.25 CNC(=O)NCc1ncco1 2708a_100102657272_100016994969 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.25 CNC(=O)NCc1ncco1 273464a_100016994969_100102657272 [0,1,0,0,0,0|2,0,0]=3 744 B11R1.25 CNC(=O)NCc1ncco1 273464a_100102657272_100016994969 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.25 CNC(=O)NCc1ncco1 512a_100016994969_100102657272 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.25 CNC(=O)NCc1ncco1 512a_106832991638_100016994969 [0,1,0,0,0,0|2,0,0]=3 747 B11R1.25 CNC(=O)NCc1nccs1 2708a_100000740555_106832991635 [0,1,0,0,0,0|2,1,0]=4 748 B11R1.25 CNC(=O)NCc1nccs1 2708a_100102657272_100000740555 [0,1,0,0,0,0|2,1,0]=4 749 B11R1.25 CNC(=O)NCc1nccs1 273464a_100000740555_100102657272 [0,1,0,0,0,0|2,1,0]=4 750 B11R1.25 CNC(=O)NCc1nccs1 273464a_100102657272_100000740555 [0,1,0,0,0,0|2,1,0]=4 751 B11R1.25 CNC(=O)NCc1nccs1 512a_100000740555_100102657272 [0,1,0,0,0,0|2,1,0]=4 752 B11R1.25 CNC(=O)NCc1nccs1 512a_106832991638_100000740555 [0,1,0,0,0,0|2,1,0]=4 753 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [0,1,0,0,0,0|1,0,1]=3 754 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [0,1,0,0,0,0|1,0,1]=3 755 B11R1.25 COC(=O)CCN1CC=CC1 269982a_100015195280_100000204255 [0,1,0,0,0,0|2,0,1]=4 756 B11R1.25 COC(=O)COc1ccsc1 34a_100000106738_100000747449 [0,1,0,0,0,0|3,0,0]=4 757 B11R1.25 COC(=O)COc1ccsc1 7a_100000106738_100000747449 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.25 COC(=O)CSc1c[nH]cn1 62a_100000747449_100000756875 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.25 COC(=O)CSc1c[nH]cn1 62a_100000756875_100000747449 [0,1,0,0,0,0|3,0,0]=4 760 B11R1.25 COC(=O)CSc1cc[nH]n1 62a_100000062575_100000747449 [0,1,0,0,0,0|3,0,0]=4 761 B11R1.25 COC(=O)CSc1cc[nH]n1 62a_100000747449_100000062575 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,1,0,0,0,0|1,0,0]=2 763 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,1,0,0,0,0|1,0,0]=2 764 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [0,1,0,0,0,0|1,1,0]=3 765 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [0,1,0,0,0,0|1,1,0]=3 766 B11R1.25 COC(=O)CSc1ccoc1 62a_100000747449_100011215275 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.25 COC(=O)CSc1ccoc1 62a_100011215275_100000747449 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.25 COC(=O)CSc1ccon1 62a_100000747449_100009818083 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.25 COC(=O)CSc1ccon1 62a_100009818083_100000747449 [0,1,0,0,0,0|3,0,0]=4 770 B11R1.25 COC(=O)CSc1ccsc1 62a_100000738268_100000747449 [0,1,0,0,0,0|3,0,0]=4 771 B11R1.25 COC(=O)CSc1ccsc1 62a_100000747449_100000738268 [0,1,0,0,0,0|3,0,0]=4 772 B11R1.25 COC(=O)CSc1ccsn1 62a_100000747449_100009818082 [0,1,0,0,0,0|3,0,0]=4 773 B11R1.25 COC(=O)CSc1ccsn1 62a_100009818082_100000747449 [0,1,0,0,0,0|3,0,0]=4 774 B11R1.25 COC(=O)CSc1cnco1 62a_100000747449_100020591547 [0,1,0,0,0,0|2,0,0]=3 775 B11R1.25 COC(=O)CSc1cnco1 62a_100020591547_100000747449 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.25 COC(=O)CSc1cncs1 62a_100000747449_100011934649 [0,1,0,0,0,0|2,1,0]=4 777 B11R1.25 COC(=O)CSc1cncs1 62a_100011934649_100000747449 [0,1,0,0,0,0|2,1,0]=4 778 B11R1.25 COC(=O)CSc1cscn1 62a_100000747449_100000751502 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.25 COC(=O)CSc1cscn1 62a_100000751502_100000747449 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100000747449_100025796157 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100025796157_100000747449 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.25 COC(=O)CSc1ncco1 62a_100000747449_100011787736 [0,1,0,0,0,0|2,0,0]=3 783 B11R1.25 COC(=O)CSc1ncco1 62a_100011787736_100000747449 [0,1,0,0,0,0|2,0,0]=3 784 B11R1.25 COC(=O)CSc1nccs1 62a_100000211983_100000747449 [0,1,0,0,0,0|2,1,0]=4 785 B11R1.25 COC(=O)CSc1nccs1 62a_100000747449_100000211983 [0,1,0,0,0,0|2,1,0]=4 786 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100000059175_100009814098 [0,1,0,0,0,0|1,0,2]=4 787 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100009814098_100000059175 [0,1,0,0,0,0|1,0,2]=4 788 B11R1.25 C[C@H](CF)NCc1ccco1 207a_100102880703_100000186105 [0,1,0,0,0,0|2,0,1]=4 789 B11R1.25 C[C@H](CF)NCc1ccco1 270004a_100102880703_100000186105 [0,1,0,0,0,0|2,0,1]=4 790 B11R1.25 C[C@H](CO)NCc1ccco1 207a_100000737577_100000186105 [0,1,0,0,0,0|1,0,2]=4 791 B11R1.25 C[C@H](CO)NCc1ccco1 270004a_100000737577_100000186105 [0,1,0,0,0,0|1,0,2]=4 792 B11R1.25 O=C(C=Cc1cccs1)CF 1458a_100000182767_100015361967 [0,1,0,0,0,0|0,1,2]=4 793 B11R1.25 O=C(CF)CCc1cc[nH]c1 1458a_200000093579_100015361967 [0,1,0,0,0,0|2,0,0]=3 794 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [0,1,0,0,0,0|1,0,0]=2 795 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,1,0,0,0,0|0,0,0]=1 796 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [0,1,0,0,0,0|0,1,0]=2 797 B11R1.25 O=C(CF)CCc1ccsc1 1458a_100000195497_100015361967 [0,1,0,0,0,0|2,0,0]=3 798 B11R1.25 O=C(CF)CCc1cnc[nH]1 1458a_100000044180_100015361967 [0,1,0,0,0,0|2,0,0]=3 799 B11R1.25 O=C(CF)CCc1cncs1 1458a_100012184922_100015361967 [0,1,0,0,0,0|1,1,0]=3 800 B11R1.25 O=C(CF)CCc1ncc[nH]1 1458a_100000722789_100015361967 [0,1,0,0,0,0|2,0,0]=3 801 B11R1.25 O=C(CF)CCc1nccs1 1458a_100000742873_100015361967 [0,1,0,0,0,0|1,1,0]=3 802 B11R1.25 O=C(CF)CCn1cccc1 1458a_100011196273_100015361967 [0,1,0,0,0,0|2,0,0]=3 803 B11R1.25 O=C(CF)CCn1cccn1 1458a_100000242649_100015361967 [0,1,0,0,0,0|2,0,0]=3 804 B11R1.25 O=C(CF)CCn1ccnc1 1458a_100000176952_100015361967 [0,1,0,0,0,0|3,0,0]=4 805 B11R1.25 O=C(CF)CCn1ccnn1 1458a_100000741450_100015361967 [0,1,0,0,0,0|3,0,0]=4 806 B11R1.25 O=C(CF)CCn1cncn1 1458a_100000242768_100015361967 [0,1,0,0,0,0|3,0,0]=4 807 B11R1.25 O=C(CO)CCc1c[nH]cn1 1458a_100000210174_100020628418 [0,1,0,0,0,0|2,0,0]=3 808 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [0,1,0,0,0,0|0,1,0]=2 809 B11R1.25 O=C(CO)CCc1cn[nH]c1 1458a_100000210174_100000743252 [0,1,0,0,0,0|3,0,0]=4 810 B11R1.25 O=C(CO)CCn1cccc1 1458a_100000210174_200000035178 [0,1,0,0,0,0|2,0,0]=3 811 B11R1.25 O=C(CO)CCn1cccn1 1458a_100000210174_100000685285 [0,1,0,0,0,0|2,0,0]=3 812 B11R1.25 O=C(CO)CCn1ccnc1 1458a_100000210174_100000702546 [0,1,0,0,0,0|3,0,0]=4 813 B11R1.25 O=C(CO)CCn1cncn1 1458a_100000210174_100000731791 [0,1,0,0,0,0|3,0,0]=4 814 B11R1.25 O=C(CO)NCc1c[nH]cn1 240690a_100000758547_100000210174 [0,1,0,0,0,0|3,0,0]=4 815 B11R1.25 O=C(CO)NCc1c[nH]cn1 527a_100000758547_100000210174 [0,1,0,0,0,0|3,0,0]=4 816 B11R1.25 O=C(CO)NCc1cc[nH]n1 240690a_100000739516_100000210174 [0,1,0,0,0,0|3,0,0]=4 817 B11R1.25 O=C(CO)NCc1cc[nH]n1 527a_100000739516_100000210174 [0,1,0,0,0,0|3,0,0]=4 818 B11R1.25 O=C(CO)NCc1ccc[nH]1 240690a_100000764082_100000210174 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.25 O=C(CO)NCc1ccc[nH]1 527a_100000764082_100000210174 [0,1,0,0,0,0|2,0,0]=3 820 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,1,0,0,0,0|1,0,0]=2 821 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,1,0,0,0,0|1,0,0]=2 822 B11R1.25 O=C(CO)NCc1cccs1 240690a_100000211653_100000210174 [0,1,0,0,0,0|1,1,0]=3 823 B11R1.25 O=C(CO)NCc1cccs1 527a_100000211653_100000210174 [0,1,0,0,0,0|1,1,0]=3 824 B11R1.25 O=C(CO)NCc1ccoc1 240690a_100015206860_100000210174 [0,1,0,0,0,0|3,0,0]=4 825 B11R1.25 O=C(CO)NCc1ccoc1 527a_100015206860_100000210174 [0,1,0,0,0,0|3,0,0]=4 826 B11R1.25 O=C(CO)NCc1ccon1 240690a_100000688301_100000210174 [0,1,0,0,0,0|3,0,0]=4 827 B11R1.25 O=C(CO)NCc1ccon1 527a_100000688301_100000210174 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.25 O=C(CO)NCc1ccsc1 240690a_100000186416_100000210174 [0,1,0,0,0,0|3,0,0]=4 829 B11R1.25 O=C(CO)NCc1ccsc1 527a_100000186416_100000210174 [0,1,0,0,0,0|3,0,0]=4 830 B11R1.25 O=C(CO)NCc1cnco1 240690a_100020634212_100000210174 [0,1,0,0,0,0|2,0,0]=3 831 B11R1.25 O=C(CO)NCc1cnco1 527a_100020634212_100000210174 [0,1,0,0,0,0|2,0,0]=3 832 B11R1.25 O=C(CO)NCc1cncs1 240690a_100016987365_100000210174 [0,1,0,0,0,0|2,1,0]=4 833 B11R1.25 O=C(CO)NCc1cncs1 527a_100016987365_100000210174 [0,1,0,0,0,0|2,1,0]=4 834 B11R1.25 O=C(CO)NCc1cocn1 240690a_100015188801_100000210174 [0,1,0,0,0,0|3,0,0]=4 835 B11R1.25 O=C(CO)NCc1cocn1 527a_100015188801_100000210174 [0,1,0,0,0,0|3,0,0]=4 836 B11R1.25 O=C(CO)NCc1cscn1 240690a_100015185402_100000210174 [0,1,0,0,0,0|3,0,0]=4 837 B11R1.25 O=C(CO)NCc1cscn1 527a_100015185402_100000210174 [0,1,0,0,0,0|3,0,0]=4 838 B11R1.25 O=C(CO)NCc1ncc[nH]1 240690a_100000754540_100000210174 [0,1,0,0,0,0|3,0,0]=4 839 B11R1.25 O=C(CO)NCc1ncc[nH]1 527a_100000754540_100000210174 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.25 O=C(CO)NCc1ncco1 240690a_100016994969_100000210174 [0,1,0,0,0,0|2,0,0]=3 841 B11R1.25 O=C(CO)NCc1ncco1 527a_100016994969_100000210174 [0,1,0,0,0,0|2,0,0]=3 842 B11R1.25 O=C(CO)NCc1nccs1 240690a_100000740555_100000210174 [0,1,0,0,0,0|2,1,0]=4 843 B11R1.25 O=C(CO)NCc1nccs1 527a_100000740555_100000210174 [0,1,0,0,0,0|2,1,0]=4 844 B11R1.25 OCC(O)CSc1ccco1 62a_100009814098_100011219619 [0,1,0,0,0,0|1,0,2]=4 845 B11R1.25 OCC(O)CSc1ccco1 62a_100011219619_100009814098 [0,1,0,0,0,0|1,0,2]=4 846 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009814098_100009815848 [0,1,0,0,0,0|1,0,2]=4 847 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009815848_100009814098 [0,1,0,0,0,0|1,0,2]=4 848 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100009814098_100015614560 [0,1,0,0,0,0|1,0,2]=4 849 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100015614560_100009814098 [0,1,0,0,0,0|1,0,2]=4 850 B11R1.35 C=C(C)C(=O)Cc1ncco1 1458a_100000185857_103436540062 [0,1,0,0,0,0|2,0,1]=4 851 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [0,1,0,0,0,0|0,0,2]=3 852 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [0,1,0,0,0,0|0,0,2]=3 853 B11R1.35 CC(=O)C(C)Cn1cccn1 1458a_100000740329_200000210301 [0,1,0,0,0,0|2,0,0]=3 854 B11R1.35 CC(=O)C(C)Cn1ccnc1 1458a_200102835363_200000210301 [0,1,0,0,0,0|3,0,0]=4 855 B11R1.35 CC(=O)C(C)Oc1ccsc1 7a_100000106738_100000179758 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100009814033 [0,1,0,0,0,0|3,0,0]=4 857 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100009814033_100000756875 [0,1,0,0,0,0|3,0,0]=4 858 B11R1.35 CC(=O)C(C)Sc1cc[nH]n1 62a_100000062575_100009814033 [0,1,0,0,0,0|3,0,0]=4 859 B11R1.35 CC(=O)C(C)Sc1cc[nH]n1 62a_100009814033_100000062575 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814033_100009814098 [0,1,0,0,0,0|1,0,0]=2 861 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814098_100009814033 [0,1,0,0,0,0|1,0,0]=2 862 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100009814033_100011215356 [0,1,0,0,0,0|1,1,0]=3 863 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100011215356_100009814033 [0,1,0,0,0,0|1,1,0]=3 864 B11R1.35 CC(=O)C(C)Sc1ccoc1 62a_100009814033_100011215275 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.35 CC(=O)C(C)Sc1ccoc1 62a_100011215275_100009814033 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.35 CC(=O)C(C)Sc1ccon1 62a_100009814033_100009818083 [0,1,0,0,0,0|3,0,0]=4 867 B11R1.35 CC(=O)C(C)Sc1ccon1 62a_100009818083_100009814033 [0,1,0,0,0,0|3,0,0]=4 868 B11R1.35 CC(=O)C(C)Sc1ccsc1 62a_100000738268_100009814033 [0,1,0,0,0,0|3,0,0]=4 869 B11R1.35 CC(=O)C(C)Sc1ccsc1 62a_100009814033_100000738268 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.35 CC(=O)C(C)Sc1ccsn1 62a_100009814033_100009818082 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.35 CC(=O)C(C)Sc1ccsn1 62a_100009818082_100009814033 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100009814033_100020591547 [0,1,0,0,0,0|2,0,0]=3 873 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100020591547_100009814033 [0,1,0,0,0,0|2,0,0]=3 874 B11R1.35 CC(=O)C(C)Sc1cncs1 62a_100009814033_100011934649 [0,1,0,0,0,0|2,1,0]=4 875 B11R1.35 CC(=O)C(C)Sc1cncs1 62a_100011934649_100009814033 [0,1,0,0,0,0|2,1,0]=4 876 B11R1.35 CC(=O)C(C)Sc1cscn1 62a_100000751502_100009814033 [0,1,0,0,0,0|3,0,0]=4 877 B11R1.35 CC(=O)C(C)Sc1cscn1 62a_100009814033_100000751502 [0,1,0,0,0,0|3,0,0]=4 878 B11R1.35 CC(=O)C(C)Sc1ncc[nH]1 62a_100009814033_100025796157 [0,1,0,0,0,0|3,0,0]=4 879 B11R1.35 CC(=O)C(C)Sc1ncc[nH]1 62a_100025796157_100009814033 [0,1,0,0,0,0|3,0,0]=4 880 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100009814033_100011787736 [0,1,0,0,0,0|2,0,0]=3 881 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100011787736_100009814033 [0,1,0,0,0,0|2,0,0]=3 882 B11R1.35 CC(=O)C(C)Sc1nccs1 62a_100000211983_100009814033 [0,1,0,0,0,0|2,1,0]=4 883 B11R1.35 CC(=O)C(C)Sc1nccs1 62a_100009814033_100000211983 [0,1,0,0,0,0|2,1,0]=4 884 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [0,1,0,0,0,0|1,0,0]=2 885 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [0,1,0,0,0,0|1,0,0]=2 886 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [0,1,0,0,0,0|1,0,0]=2 887 B11R1.35 CC(=O)N(C)Cc1cccs1 11a_100000184426_100015343762 [0,1,0,0,0,0|1,1,0]=3 888 B11R1.35 CC(=O)N(C)Cc1cccs1 240690a_100000184426_100015343762 [0,1,0,0,0,0|1,1,0]=3 889 B11R1.35 CC(=O)N(C)Cc1cccs1 527a_100000184426_100103153847 [0,1,0,0,0,0|1,1,0]=3 890 B11R1.35 CC(=O)N(C)Cc1ccon1 11a_100000757864_100015343762 [0,1,0,0,0,0|3,0,0]=4 891 B11R1.35 CC(=O)N(C)Cc1ccon1 240690a_100000757864_100015343762 [0,1,0,0,0,0|3,0,0]=4 892 B11R1.35 CC(=O)N(C)Cc1ccon1 527a_100000757864_100103153847 [0,1,0,0,0,0|3,0,0]=4 893 B11R1.35 CC(=O)N(C)Cc1ccsc1 11a_100020654213_100015343762 [0,1,0,0,0,0|3,0,0]=4 894 B11R1.35 CC(=O)N(C)Cc1ccsc1 240690a_100020654213_100015343762 [0,1,0,0,0,0|3,0,0]=4 895 B11R1.35 CC(=O)N(C)Cc1ccsc1 527a_100020654213_100103153847 [0,1,0,0,0,0|3,0,0]=4 896 B11R1.35 CC(=O)N(C)Cc1cscn1 11a_100000225794_100015343762 [0,1,0,0,0,0|3,0,0]=4 897 B11R1.35 CC(=O)N(C)Cc1cscn1 240690a_100000225794_100015343762 [0,1,0,0,0,0|3,0,0]=4 898 B11R1.35 CC(=O)N(C)Cc1cscn1 527a_100000225794_100103153847 [0,1,0,0,0,0|3,0,0]=4 899 B11R1.35 CC(=O)N(C)Cc1ncc[nH]1 11a_100015184136_100015343762 [0,1,0,0,0,0|3,0,0]=4 900 B11R1.35 CC(=O)N(C)Cc1ncc[nH]1 240690a_100015184136_100015343762 [0,1,0,0,0,0|3,0,0]=4 901 B11R1.35 CC(=O)N(C)Cc1ncc[nH]1 527a_100015184136_100103153847 [0,1,0,0,0,0|3,0,0]=4 902 B11R1.35 CC(=O)N(C)Cc1nccs1 11a_100000765864_100015343762 [0,1,0,0,0,0|2,1,0]=4 903 B11R1.35 CC(=O)N(C)Cc1nccs1 240690a_100000765864_100015343762 [0,1,0,0,0,0|2,1,0]=4 904 B11R1.35 CC(=O)N(C)Cc1nccs1 527a_100000765864_100103153847 [0,1,0,0,0,0|2,1,0]=4 905 B11R1.35 CC(C)C(=O)Cc1ccco1 1458a_100011217309_100000210206 [0,1,0,0,0,0|1,0,2]=4 906 B11R1.35 CC(C)N(C)Cc1ccco1 2230a_100000185268_100000210206 [0,1,0,0,0,0|2,0,1]=4 907 B11R1.35 CC(C)N(C)Cc1ccco1 269982a_100000185268_100000210206 [0,1,0,0,0,0|2,0,1]=4 908 B11R1.35 CC(C)N(C)Cc1ccco1 270004a_200000211004_100000186105 [0,1,0,0,0,0|2,0,1]=4 909 B11R1.35 CC(Cc1ccco1)N(C)C 270004a_100102631434_100011216958 [0,1,0,0,0,0|2,0,0]=3 910 B11R1.35 CC(Cn1cccn1)C(=O)[13CH3] 1458a_100000740329_200025704644 [0,1,0,0,0,0|2,0,0]=3 911 B11R1.35 CC(Cn1ccnc1)C(=O)[13CH3] 1458a_200102835363_200025704644 [0,1,0,0,0,0|3,0,0]=4 912 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100000702099_100009814098 [0,1,0,0,0,0|2,0,0]=3 913 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100009814098_100000702099 [0,1,0,0,0,0|2,0,0]=3 914 B11R1.35 CC(Sc1cccs1)C(=O)N 62a_100000702099_100011215356 [0,1,0,0,0,0|2,1,0]=4 915 B11R1.35 CC(Sc1cccs1)C(=O)N 62a_100011215356_100000702099 [0,1,0,0,0,0|2,1,0]=4 916 B11R1.35 CC(Sc1cnco1)C(=O)N 62a_100000702099_100020591547 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.35 CC(Sc1cnco1)C(=O)N 62a_100020591547_100000702099 [0,1,0,0,0,0|3,0,0]=4 918 B11R1.35 CC(Sc1ncco1)C(=O)N 62a_100000702099_100011787736 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.35 CC(Sc1ncco1)C(=O)N 62a_100011787736_100000702099 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.35 CN(C)C(=O)Cc1ccco1 11a_100102631434_100011217309 [0,1,0,0,0,0|2,0,1]=4 921 B11R1.35 CN(C)C(=O)Cc1ccco1 527a_100102631434_100011217309 [0,1,0,0,0,0|2,0,1]=4 922 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009813875_100009814098 [0,1,0,0,0,0|2,0,0]=3 923 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009814098_100009813875 [0,1,0,0,0,0|2,0,0]=3 924 B11R1.35 NC(=O)C(F)Sc1cccs1 62a_100009813875_100011215356 [0,1,0,0,0,0|2,1,0]=4 925 B11R1.35 NC(=O)C(F)Sc1cccs1 62a_100011215356_100009813875 [0,1,0,0,0,0|2,1,0]=4 926 B11R1.35 NC(=O)C(F)Sc1cnco1 62a_100009813875_100020591547 [0,1,0,0,0,0|3,0,0]=4 927 B11R1.35 NC(=O)C(F)Sc1cnco1 62a_100020591547_100009813875 [0,1,0,0,0,0|3,0,0]=4 928 B11R1.35 NC(=O)C(F)Sc1ncco1 62a_100009813875_100011787736 [0,1,0,0,0,0|3,0,0]=4 929 B11R1.35 NC(=O)C(F)Sc1ncco1 62a_100011787736_100009813875 [0,1,0,0,0,0|3,0,0]=4 930 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100009814098_100020610796 [0,1,0,0,0,0|2,0,0]=3 931 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100020610796_100009814098 [0,1,0,0,0,0|2,0,0]=3 932 B11R1.35 O=C([O-])C(F)Sc1cccs1 62a_100011215356_100020610796 [0,1,0,0,0,0|2,1,0]=4 933 B11R1.35 O=C([O-])C(F)Sc1cccs1 62a_100020610796_100011215356 [0,1,0,0,0,0|2,1,0]=4 934 B11R1.35 O=C([O-])C(F)Sc1cnco1 62a_100020591547_100020610796 [0,1,0,0,0,0|3,0,0]=4 935 B11R1.35 O=C([O-])C(F)Sc1cnco1 62a_100020610796_100020591547 [0,1,0,0,0,0|3,0,0]=4 936 B11R1.35 O=C([O-])C(F)Sc1ncco1 62a_100011787736_100020610796 [0,1,0,0,0,0|3,0,0]=4 937 B11R1.35 O=C([O-])C(F)Sc1ncco1 62a_100020610796_100011787736 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.75 C=C(C)CCc1nc(no1)C 270196a_100000212224_200000688413 [0,1,0,0,0,0|3,0,0]=4 939 B11R1.75 C=C(C)CSc1cc(cs1)C 62a_100000748629_100009876951 [0,1,0,0,0,0|2,1,0]=4 940 B11R1.75 C=C(C)CSc1cc(cs1)C 62a_100009876951_100000211660 [0,1,0,0,0,0|2,1,0]=4 941 B11R1.75 C=C(C)CSc1ccc(s1)Br 62a_100000748629_100010197418 [0,1,0,0,0,0|2,1,0]=4 942 B11R1.75 C=C(C)CSc1ccc(s1)Br 62a_100010197418_100000211660 [0,1,0,0,0,0|2,1,0]=4 943 B11R1.75 C=C(C)CSc1ccc(s1)C 62a_100000031368_100000211660 [0,1,0,0,0,0|2,1,0]=4 944 B11R1.75 C=C(C)CSc1ccc(s1)C 62a_100000748629_100000031368 [0,1,0,0,0,0|2,1,0]=4 945 B11R1.75 CC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200000210301 [0,1,0,0,0,0|0,1,2]=4 946 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [0,1,0,0,0,0|0,0,2]=3 947 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,1,0,0,0,0|0,0,2]=3 948 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [0,1,0,0,0,0|0,0,2]=3 949 B11R1.75 CC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200000210301 [0,1,0,0,0,0|0,1,2]=4 950 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [0,1,0,0,0,0|0,1,2]=4 951 B11R1.75 CC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200000210301 [0,1,0,0,0,0|0,1,2]=4 952 B11R1.75 CC(=O)CCc1cc(no1)Cl 1458a_100000022696_200000210301 [0,1,0,0,0,0|1,0,0]=2 953 B11R1.75 CC(=O)CCc1cnn(c1)C 1458a_100000743273_200000210301 [0,1,0,0,0,0|3,0,0]=4 954 B11R1.75 CC(=O)CCc1csc(n1)C 1458a_100000070787_100000695623 [0,1,0,0,0,0|2,0,0]=3 955 B11R1.75 CC(=O)CCc1n[nH]c(n1)C 1458a_102515433058_200000210301 [0,1,0,0,0,0|3,0,0]=4 956 B11R1.75 CC(=O)CCc1nc(n[nH]1)Br 1458a_100010064227_200000210301 [0,1,0,0,0,0|3,0,0]=4 957 B11R1.75 CC(=O)CCc1nc(n[nH]1)Cl 1458a_200009830084_200000210301 [0,1,0,0,0,0|3,0,0]=4 958 B11R1.75 CC(=O)CCn1cc(cn1)C 1458a_100000743555_200000210301 [0,1,0,0,0,0|2,0,0]=3 959 B11R1.75 CC(=O)CCn1cc(cn1)Cl 1458a_100000070787_100011353933 [0,1,0,0,0,0|2,0,0]=3 960 B11R1.75 CC(=O)CCn1cc(cn1)Cl 1458a_100000743157_200000210301 [0,1,0,0,0,0|2,0,0]=3 961 B11R1.75 CC(=O)CCn1cc(cn1)I 1458a_100012072392_200000210301 [0,1,0,0,0,0|2,0,0]=3 962 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000070787_200011934056 [0,1,0,0,0,0|2,0,0]=3 963 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000759146_200000210301 [0,1,0,0,0,0|2,0,0]=3 964 B11R1.75 CC(=O)CSc1nnc(o1)C 1458a_200000179512_200000210301 [0,1,0,0,0,0|3,0,0]=4 965 B11R1.75 CC(=O)NCc1cc(cs1)Br 11a_100000741024_100015343762 [0,1,0,0,0,0|1,1,0]=3 966 B11R1.75 CC(=O)NCc1cc(cs1)Br 1626a_100000741024_100015343762 [0,1,0,0,0,0|1,1,0]=3 967 B11R1.75 CC(=O)NCc1cc(cs1)Br 240690a_100000741024_100015343762 [0,1,0,0,0,0|1,1,0]=3 968 B11R1.75 CC(=O)NCc1cc(cs1)Br 527a_100000741024_100103153847 [0,1,0,0,0,0|1,1,0]=3 969 B11R1.75 CC(=O)NCc1cc(cs1)C 11a_100015204214_100015343762 [0,1,0,0,0,0|1,1,0]=3 970 B11R1.75 CC(=O)NCc1cc(cs1)C 1626a_100015204214_100015343762 [0,1,0,0,0,0|1,1,0]=3 971 B11R1.75 CC(=O)NCc1cc(cs1)C 240690a_100015204214_100015343762 [0,1,0,0,0,0|1,1,0]=3 972 B11R1.75 CC(=O)NCc1cc(cs1)C 527a_100015204214_100103153847 [0,1,0,0,0,0|1,1,0]=3 973 B11R1.75 CC(=O)NCc1cc(n[nH]1)C 11a_100025702664_100015343762 [0,1,0,0,0,0|3,0,0]=4 974 B11R1.75 CC(=O)NCc1cc(n[nH]1)C 240690a_100025702664_100015343762 [0,1,0,0,0,0|3,0,0]=4 975 B11R1.75 CC(=O)NCc1cc(n[nH]1)C 527a_100025702664_100103153847 [0,1,0,0,0,0|3,0,0]=4 976 B11R1.75 CC(=O)NCc1cc(no1)Br 11a_100015193020_100015343762 [0,1,0,0,0,0|2,0,0]=3 977 B11R1.75 CC(=O)NCc1cc(no1)Br 240690a_100015193020_100015343762 [0,1,0,0,0,0|2,0,0]=3 978 B11R1.75 CC(=O)NCc1cc(no1)Br 527a_100015193020_100103153847 [0,1,0,0,0,0|2,0,0]=3 979 B11R1.75 CC(=O)NCc1cc(no1)C 11a_100000745748_100015343762 [0,1,0,0,0,0|2,0,0]=3 980 B11R1.75 CC(=O)NCc1cc(no1)C 240690a_100000745748_100015343762 [0,1,0,0,0,0|2,0,0]=3 981 B11R1.75 CC(=O)NCc1cc(no1)C 527a_100000745748_100103153847 [0,1,0,0,0,0|2,0,0]=3 982 B11R1.75 CC(=O)NCc1cc(on1)C 11a_100000745230_100015343762 [0,1,0,0,0,0|3,0,0]=4 983 B11R1.75 CC(=O)NCc1cc(on1)C 240690a_100000745230_100015343762 [0,1,0,0,0,0|3,0,0]=4 984 B11R1.75 CC(=O)NCc1cc(on1)C 527a_100000745230_100103153847 [0,1,0,0,0,0|3,0,0]=4 985 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,1,0,0,0,0|1,0,0]=2 986 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,1,0,0,0,0|1,0,0]=2 987 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,1,0,0,0,0|1,0,0]=2 988 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,1,0,0,0,0|1,0,0]=2 989 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,1,0,0,0,0|1,0,0]=2 990 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,1,0,0,0,0|1,0,0]=2 991 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,1,0,0,0,0|1,0,0]=2 992 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,1,0,0,0,0|1,0,0]=2 993 B11R1.75 CC(=O)NCc1ccc(s1)Br 11a_100000737305_100015343762 [0,1,0,0,0,0|1,1,0]=3 994 B11R1.75 CC(=O)NCc1ccc(s1)Br 1626a_100000737305_100015343762 [0,1,0,0,0,0|1,1,0]=3 995 B11R1.75 CC(=O)NCc1ccc(s1)Br 240690a_100000737305_100015343762 [0,1,0,0,0,0|1,1,0]=3 996 B11R1.75 CC(=O)NCc1ccc(s1)Br 527a_100000737305_100103153847 [0,1,0,0,0,0|1,1,0]=3 997 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [0,1,0,0,0,0|1,1,0]=3 998 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [0,1,0,0,0,0|1,1,0]=3 999 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [0,1,0,0,0,0|1,1,0]=3 1000 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [0,1,0,0,0,0|1,1,0]=3 1001 B11R1.75 CC(=O)NCc1ccc(s1)Cl 11a_100000737310_100015343762 [0,1,0,0,0,0|1,1,0]=3 1002 B11R1.75 CC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100015343762 [0,1,0,0,0,0|1,1,0]=3 1003 B11R1.75 CC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100015343762 [0,1,0,0,0,0|1,1,0]=3 1004 B11R1.75 CC(=O)NCc1ccc(s1)Cl 527a_100000737310_100103153847 [0,1,0,0,0,0|1,1,0]=3 1005 B11R1.75 CC(=O)NCc1ccn(n1)C 11a_100020636201_100015343762 [0,1,0,0,0,0|3,0,0]=4 1006 B11R1.75 CC(=O)NCc1ccn(n1)C 240690a_100020636201_100015343762 [0,1,0,0,0,0|3,0,0]=4 1007 B11R1.75 CC(=O)NCc1ccn(n1)C 527a_100020636201_100103153847 [0,1,0,0,0,0|3,0,0]=4 1008 B11R1.75 CC(=O)NCc1cn(cn1)C 11a_100011834058_100015343762 [0,1,0,0,0,0|3,0,0]=4 1009 B11R1.75 CC(=O)NCc1cn(cn1)C 1626a_100011834058_100015343762 [0,1,0,0,0,0|3,0,0]=4 1010 B11R1.75 CC(=O)NCc1cn(cn1)C 240690a_100011834058_100015343762 [0,1,0,0,0,0|3,0,0]=4 1011 B11R1.75 CC(=O)NCc1cn(cn1)C 527a_100011834058_100103153847 [0,1,0,0,0,0|3,0,0]=4 1012 B11R1.75 CC(=O)NCc1cnc(s1)Br 11a_100000726991_100015343762 [0,1,0,0,0,0|2,1,0]=4 1013 B11R1.75 CC(=O)NCc1cnc(s1)Br 240690a_100000726991_100015343762 [0,1,0,0,0,0|2,1,0]=4 1014 B11R1.75 CC(=O)NCc1cnc(s1)Br 527a_100000726991_100103153847 [0,1,0,0,0,0|2,1,0]=4 1015 B11R1.75 CC(=O)NCc1cnc(s1)C 11a_200000743601_100015343762 [0,1,0,0,0,0|2,1,0]=4 1016 B11R1.75 CC(=O)NCc1cnc(s1)C 1626a_200000743601_100015343762 [0,1,0,0,0,0|2,1,0]=4 1017 B11R1.75 CC(=O)NCc1cnc(s1)C 240690a_200000743601_100015343762 [0,1,0,0,0,0|2,1,0]=4 1018 B11R1.75 CC(=O)NCc1cnc(s1)C 527a_200000743601_100103153847 [0,1,0,0,0,0|2,1,0]=4 1019 B11R1.75 CC(=O)NCc1cnc(s1)Cl 11a_100000726635_100015343762 [0,1,0,0,0,0|2,1,0]=4 1020 B11R1.75 CC(=O)NCc1cnc(s1)Cl 1626a_100000726635_100015343762 [0,1,0,0,0,0|2,1,0]=4 1021 B11R1.75 CC(=O)NCc1cnc(s1)Cl 240690a_100000726635_100015343762 [0,1,0,0,0,0|2,1,0]=4 1022 B11R1.75 CC(=O)NCc1cnc(s1)Cl 527a_100000726635_100103153847 [0,1,0,0,0,0|2,1,0]=4 1023 B11R1.75 CC(=O)NCc1csc(n1)C 11a_100000707933_100015343762 [0,1,0,0,0,0|3,0,0]=4 1024 B11R1.75 CC(=O)NCc1csc(n1)C 1626a_100000707933_100015343762 [0,1,0,0,0,0|3,0,0]=4 1025 B11R1.75 CC(=O)NCc1csc(n1)C 240690a_100000707933_100015343762 [0,1,0,0,0,0|3,0,0]=4 1026 B11R1.75 CC(=O)NCc1csc(n1)C 527a_100000707933_100103153847 [0,1,0,0,0,0|3,0,0]=4 1027 B11R1.75 CC(=O)NCc1nc(cs1)C 11a_100015183719_100015343762 [0,1,0,0,0,0|2,1,0]=4 1028 B11R1.75 CC(=O)NCc1nc(cs1)C 1626a_100015183719_100015343762 [0,1,0,0,0,0|2,1,0]=4 1029 B11R1.75 CC(=O)NCc1nc(cs1)C 240690a_100015183719_100015343762 [0,1,0,0,0,0|2,1,0]=4 1030 B11R1.75 CC(=O)NCc1nc(cs1)C 527a_100015183719_100103153847 [0,1,0,0,0,0|2,1,0]=4 1031 B11R1.75 CC(=O)NCc1nc(no1)C 270196a_100000212224_100000194580 [0,1,0,0,0,0|3,0,0]=4 1032 B11R1.75 CC(=O)NCc1ncc(o1)C 11a_100138411809_100015343762 [0,1,0,0,0,0|2,0,0]=3 1033 B11R1.75 CC(=O)NCc1ncc(o1)C 1626a_100138411809_100015343762 [0,1,0,0,0,0|2,0,0]=3 1034 B11R1.75 CC(=O)NCc1ncc(o1)C 240690a_100138411809_100015343762 [0,1,0,0,0,0|2,0,0]=3 1035 B11R1.75 CC(=O)NCc1ncc(o1)C 527a_100138411809_100103153847 [0,1,0,0,0,0|2,0,0]=3 1036 B11R1.75 CC(=O)NCc1ncc(s1)Br 11a_100016991807_100015343762 [0,1,0,0,0,0|2,1,0]=4 1037 B11R1.75 CC(=O)NCc1ncc(s1)Br 240690a_100016991807_100015343762 [0,1,0,0,0,0|2,1,0]=4 1038 B11R1.75 CC(=O)NCc1ncc(s1)Br 527a_100016991807_100103153847 [0,1,0,0,0,0|2,1,0]=4 1039 B11R1.75 CC(=O)NCc1nnc(o1)C 11a_200000236979_100015343762 [0,1,0,0,0,0|3,0,0]=4 1040 B11R1.75 CC(=O)NCc1nnc(o1)C 240690a_200000236979_100015343762 [0,1,0,0,0,0|3,0,0]=4 1041 B11R1.75 CC(=O)NCc1nnc(o1)C 527a_200000236979_100103153847 [0,1,0,0,0,0|3,0,0]=4 1042 B11R1.75 CC(=O)OCc1nc(no1)C 270196a_100000212224_100000183556 [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.75 CC(=O)SCc1nc(no1)C 270196a_100000212224_100000049016 [0,1,0,0,0,0|3,0,0]=4 1044 B11R1.75 CC(C)NCc1ccc(o1)Br 207a_100138425928_100000185145 [0,1,0,0,0,0|2,0,1]=4 1045 B11R1.75 CC(C)NCc1ccc(o1)Br 34a_100000708654_100000210206 [0,1,0,0,0,0|2,0,1]=4 1046 B11R1.75 CC(C)NCc1ccc(o1)Cl 207a_100138425928_100000188459 [0,1,0,0,0,0|2,0,1]=4 1047 B11R1.75 CC(C)NCc1ccc(o1)I 207a_100138425928_100000186757 [0,1,0,0,0,0|2,0,1]=4 1048 B11R1.75 CC(C)OCc1ccc(o1)Br 34a_100000246276_100000210206 [0,1,0,0,0,0|2,0,1]=4 1049 B11R1.75 CC(C)OCc1ccc(o1)Br 7a_100000246276_100000210206 [0,1,0,0,0,0|2,0,1]=4 1050 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,1,0,0,0,0|0,0,2]=3 1051 B11R1.75 Cc1ccc(o1)CNC(C)C 207a_100138425928_100000183696 [0,1,0,0,0,0|2,0,1]=4 1052 B11R1.75 Cc1ccc(o1)CNC(C)C 34a_100011194323_100000210206 [0,1,0,0,0,0|2,0,1]=4 1053 B11R1.75 Cc1ccc(o1)COC(C)C 34a_100011232665_100000210206 [0,1,0,0,0,0|2,0,1]=4 1054 B11R1.75 Cc1ccc(o1)COC(C)C 7a_100011232665_100000210206 [0,1,0,0,0,0|2,0,1]=4 1055 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [0,1,0,0,0,0|0,1,2]=4 1056 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000031368_100000747473 [0,1,0,0,0,0|2,1,0]=4 1057 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000747473_100000031368 [0,1,0,0,0,0|2,1,0]=4 1058 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100000031368_100020667443 [0,1,0,0,0,0|2,1,0]=4 1059 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100020667443_100000031368 [0,1,0,0,0,0|2,1,0]=4 1060 B11R1.75 Cc1ccn(n1)CCC(=O)[13CH3] 1458a_100000759146_200025704644 [0,1,0,0,0,0|2,0,0]=3 1061 B11R1.75 Cc1cnn(c1)CCC(=O)[13CH3] 1458a_100000743555_200025704644 [0,1,0,0,0,0|2,0,0]=3 1062 B11R1.75 Cc1csc(c1)SCC(=O)N 62a_100000747473_100009876951 [0,1,0,0,0,0|2,1,0]=4 1063 B11R1.75 Cc1csc(c1)SCC(=O)N 62a_100009876951_100000747473 [0,1,0,0,0,0|2,1,0]=4 1064 B11R1.75 Cc1csc(c1)SCC(=O)[O-] 62a_100009876951_100020667443 [0,1,0,0,0,0|2,1,0]=4 1065 B11R1.75 Cc1csc(c1)SCC(=O)[O-] 62a_100020667443_100009876951 [0,1,0,0,0,0|2,1,0]=4 1066 B11R1.75 Cc1nc(n[nH]1)CCC(=O)[13CH3] 1458a_102515433058_200025704644 [0,1,0,0,0,0|3,0,0]=4 1067 B11R1.75 Cc1nnc(o1)SCC(=O)[13CH3] 1458a_200000179512_200025704644 [0,1,0,0,0,0|3,0,0]=4 1068 B11R1.75 Cc1noc(n1)CCC(=O)N 270196a_100000212224_100011215257 [0,1,0,0,0,0|3,0,0]=4 1069 B11R1.75 Cn1cc(cn1)CCC(=O)[13CH3] 1458a_100000743273_200025704644 [0,1,0,0,0,0|3,0,0]=4 1070 B11R1.75 NC(=O)CCn1cc(cn1)O 271570a_203496583355_100011400269 [0,1,0,0,0,0|3,0,0]=4 1071 B11R1.75 NC(=O)CSc1ccc(s1)Br 62a_100000747473_100010197418 [0,1,0,0,0,0|2,1,0]=4 1072 B11R1.75 NC(=O)CSc1ccc(s1)Br 62a_100010197418_100000747473 [0,1,0,0,0,0|2,1,0]=4 1073 B11R1.75 O=C([O-])CSc1ccc(s1)Br 62a_100010197418_100020667443 [0,1,0,0,0,0|2,1,0]=4 1074 B11R1.75 O=C([O-])CSc1ccc(s1)Br 62a_100020667443_100010197418 [0,1,0,0,0,0|2,1,0]=4 1075 B11R1.75 [13CH3]C(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200025704644 [0,1,0,0,0,0|0,1,2]=4 1076 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [0,1,0,0,0,0|0,0,2]=3 1077 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [0,1,0,0,0,0|0,0,2]=3 1078 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200025704644 [0,1,0,0,0,0|0,1,2]=4 1079 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200025704644 [0,1,0,0,0,0|0,1,2]=4 1080 B11R1.75 [13CH3]C(=O)CCc1cc(no1)Cl 1458a_100000022696_200025704644 [0,1,0,0,0,0|1,0,0]=2 1081 B11R1.75 [13CH3]C(=O)CCc1nc(n[nH]1)Br 1458a_100010064227_200025704644 [0,1,0,0,0,0|3,0,0]=4 1082 B11R1.75 [13CH3]C(=O)CCc1nc(n[nH]1)Cl 1458a_200009830084_200025704644 [0,1,0,0,0,0|3,0,0]=4 1083 B11R1.75 [13CH3]C(=O)CCn1cc(cn1)Cl 1458a_100000743157_200025704644 [0,1,0,0,0,0|2,0,0]=3 1084 B11R1.75 [13CH3]C(=O)CCn1cc(cn1)I 1458a_100012072392_200025704644 [0,1,0,0,0,0|2,0,0]=3 1085 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [0,1,0,0,0,0|1,0,1]=3 1086 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,1,0,0,0,0|0,0,1]=2 1087 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [0,1,0,0,0,0|0,1,1]=3 1088 B11R1.77 CC(=O)CC(=O)c1ccsc1 1458a_100000070787_100011219462 [0,1,0,0,0,0|2,0,1]=4 1089 B11R1.77 CC(=O)CC(=O)c1nccs1 1458a_100000070787_100000718653 [0,1,0,0,0,0|1,1,1]=4 1090 B11R1.77 CC(=O)CC(=O)n1cccn1 1458a_100000070787_100000077511 [0,1,0,0,0,0|2,0,1]=4 1091 B11R1.77 CC(=O)CC(C)n1cccn1 1458a_100011311474_200000210301 [0,1,0,0,0,0|2,0,0]=3 1092 B11R1.77 CC(=O)CC(C)n1ccnc1 1458a_100000707578_200000210301 [0,1,0,0,0,0|3,0,0]=4 1093 B11R1.77 CC(=O)CC(C)n1cncn1 1458a_100000070787_200015185000 [0,1,0,0,0,0|3,0,0]=4 1094 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [0,1,0,0,0,0|1,1,0]=3 1095 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [0,1,0,0,0,0|1,1,0]=3 1096 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [0,1,0,0,0,0|1,1,0]=3 1097 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [0,1,0,0,0,0|1,1,0]=3 1098 B11R1.77 CC(=O)NC(C)c1ccoc1 11a_100000690049_100015343762 [0,1,0,0,0,0|3,0,0]=4 1099 B11R1.77 CC(=O)NC(C)c1ccoc1 1626a_100000690049_100015343762 [0,1,0,0,0,0|3,0,0]=4 1100 B11R1.77 CC(=O)NC(C)c1ccoc1 240690a_100000690049_100015343762 [0,1,0,0,0,0|3,0,0]=4 1101 B11R1.77 CC(=O)NC(C)c1ccoc1 527a_100000690049_100103153847 [0,1,0,0,0,0|3,0,0]=4 1102 B11R1.77 CC(=O)NC(C)c1ccsc1 11a_100000748604_100015343762 [0,1,0,0,0,0|3,0,0]=4 1103 B11R1.77 CC(=O)NC(C)c1ccsc1 1626a_100000748604_100015343762 [0,1,0,0,0,0|3,0,0]=4 1104 B11R1.77 CC(=O)NC(C)c1ccsc1 240690a_100000748604_100015343762 [0,1,0,0,0,0|3,0,0]=4 1105 B11R1.77 CC(=O)NC(C)c1ccsc1 527a_100000748604_100103153847 [0,1,0,0,0,0|3,0,0]=4 1106 B11R1.77 CC(=O)NC(C)c1nccs1 11a_100000725601_100015343762 [0,1,0,0,0,0|2,1,0]=4 1107 B11R1.77 CC(=O)NC(C)c1nccs1 1626a_100000725601_100015343762 [0,1,0,0,0,0|2,1,0]=4 1108 B11R1.77 CC(=O)NC(C)c1nccs1 240690a_100000725601_100015343762 [0,1,0,0,0,0|2,1,0]=4 1109 B11R1.77 CC(=O)NC(C)c1nccs1 527a_100000725601_100103153847 [0,1,0,0,0,0|2,1,0]=4 1110 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,1,0,0,0,0|1,0,0]=2 1111 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,1,0,0,0,0|1,0,0]=2 1112 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,1,0,0,0,0|1,0,0]=2 1113 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,1,0,0,0,0|1,0,0]=2 1114 B11R1.77 CC(C)C[C@H](N)c1ccco1 271570a_100015190218_100009814098 [0,1,0,0,0,0|1,0,1]=3 1115 B11R1.77 CC(C)C[C@H](N)c1cccs1 271570a_100015190218_100011215356 [0,1,0,0,0,0|1,1,1]=4 1116 B11R1.77 CC(C)C[C@H](N)c1cnco1 271570a_100015190218_100020591547 [0,1,0,0,0,0|2,0,1]=4 1117 B11R1.77 CC(C)C[C@H](N)c1ncco1 271570a_100015190218_100011787736 [0,1,0,0,0,0|2,0,1]=4 1118 B11R1.77 CC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000210206 [0,1,0,0,0,0|2,0,1]=4 1119 B11R1.77 CC(C)O[C@@H](C)c1ccco1 34a_100000755270_100000210206 [0,1,0,0,0,0|2,0,1]=4 1120 B11R1.77 CC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000210206 [0,1,0,0,0,0|2,0,1]=4 1121 B11R1.77 CC(CC(=O)[13CH3])n1cccn1 1458a_100011311474_200025704644 [0,1,0,0,0,0|2,0,0]=3 1122 B11R1.77 CC(CC(=O)[13CH3])n1ccnc1 1458a_100000707578_200025704644 [0,1,0,0,0,0|3,0,0]=4 1123 B11R1.77 CN(C)CC(=O)c1ccco1 269982a_100102631434_100000211439 [0,1,0,0,0,0|2,0,1]=4 1124 B11R1.90 C=C(C)CSc1sccc1Br 62a_100000748629_100012361411 [0,1,0,0,0,0|2,1,0]=4 1125 B11R1.90 C=C(C)CSc1sccc1Br 62a_100012361411_100000211660 [0,1,0,0,0,0|2,1,0]=4 1126 B11R1.90 C=C(C)CSc1sccc1C 62a_100000748629_100010247149 [0,1,0,0,0,0|2,1,0]=4 1127 B11R1.90 C=C(C)CSc1sccc1C 62a_100010247149_100000211660 [0,1,0,0,0,0|2,1,0]=4 1128 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,1,0,0,0,0|0,1,2]=4 1129 B11R1.90 CC(=O)CCc1ccnn1C 1458a_100000763893_200000210301 [0,1,0,0,0,0|2,0,0]=3 1130 B11R1.90 CC(=O)CCc1nccn1C 1458a_200011261795_200000210301 [0,1,0,0,0,0|2,0,0]=3 1131 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [0,1,0,0,0,0|1,1,0]=3 1132 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [0,1,0,0,0,0|1,1,0]=3 1133 B11R1.90 CC(=O)CCn1ccnc1C 1458a_100000070787_100000742477 [0,1,0,0,0,0|3,0,0]=4 1134 B11R1.90 CC(=O)CCn1ccnc1C 1458a_100000186006_200000210301 [0,1,0,0,0,0|3,0,0]=4 1135 B11R1.90 CC(=O)CCn1nccc1C 1458a_100000070787_100011934269 [0,1,0,0,0,0|2,0,0]=3 1136 B11R1.90 CC(=O)CCn1nccc1C 1458a_200000759149_200000210301 [0,1,0,0,0,0|2,0,0]=3 1137 B11R1.90 CC(=O)NCc1cccn1C 11a_100011219357_100015343762 [0,1,0,0,0,0|2,0,0]=3 1138 B11R1.90 CC(=O)NCc1cccn1C 1626a_100011219357_100015343762 [0,1,0,0,0,0|2,0,0]=3 1139 B11R1.90 CC(=O)NCc1cccn1C 240690a_100011219357_100015343762 [0,1,0,0,0,0|2,0,0]=3 1140 B11R1.90 CC(=O)NCc1cccn1C 527a_100011219357_100103153847 [0,1,0,0,0,0|2,0,0]=3 1141 B11R1.90 CC(=O)NCc1ccnn1C 11a_100025706696_100015343762 [0,1,0,0,0,0|3,0,0]=4 1142 B11R1.90 CC(=O)NCc1ccnn1C 240690a_100025706696_100015343762 [0,1,0,0,0,0|3,0,0]=4 1143 B11R1.90 CC(=O)NCc1ccnn1C 527a_100025706696_100103153847 [0,1,0,0,0,0|3,0,0]=4 1144 B11R1.90 CC(=O)NCc1ccsc1Br 11a_100000727803_100015343762 [0,1,0,0,0,0|3,0,0]=4 1145 B11R1.90 CC(=O)NCc1ccsc1Br 1626a_100000727803_100015343762 [0,1,0,0,0,0|3,0,0]=4 1146 B11R1.90 CC(=O)NCc1ccsc1Br 240690a_100000727803_100015343762 [0,1,0,0,0,0|3,0,0]=4 1147 B11R1.90 CC(=O)NCc1ccsc1Br 527a_100000727803_100103153847 [0,1,0,0,0,0|3,0,0]=4 1148 B11R1.90 CC(=O)NCc1cncn1C 11a_100000732891_100015343762 [0,1,0,0,0,0|3,0,0]=4 1149 B11R1.90 CC(=O)NCc1cncn1C 240690a_100000732891_100015343762 [0,1,0,0,0,0|3,0,0]=4 1150 B11R1.90 CC(=O)NCc1cncn1C 527a_100000732891_100103153847 [0,1,0,0,0,0|3,0,0]=4 1151 B11R1.90 CC(=O)NCc1nccn1C 11a_100015186572_100015343762 [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.90 CC(=O)NCc1nccn1C 240690a_100015186572_100015343762 [0,1,0,0,0,0|3,0,0]=4 1153 B11R1.90 CC(=O)NCc1nccn1C 527a_100015186572_100103153847 [0,1,0,0,0,0|3,0,0]=4 1154 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [0,1,0,0,0,0|1,1,0]=3 1155 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [0,1,0,0,0,0|1,1,0]=3 1156 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [0,1,0,0,0,0|1,1,0]=3 1157 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [0,1,0,0,0,0|1,1,0]=3 1158 B11R1.90 CC(=O)NCc1sccc1Cl 11a_100011934584_100015343762 [0,1,0,0,0,0|1,1,0]=3 1159 B11R1.90 CC(=O)NCc1sccc1Cl 1626a_100011934584_100015343762 [0,1,0,0,0,0|1,1,0]=3 1160 B11R1.90 CC(=O)NCc1sccc1Cl 240690a_100011934584_100015343762 [0,1,0,0,0,0|1,1,0]=3 1161 B11R1.90 CC(=O)NCc1sccc1Cl 527a_100011934584_100103153847 [0,1,0,0,0,0|1,1,0]=3 1162 B11R1.90 CC(=O)NCc1scnc1C 11a_100000752186_100015343762 [0,1,0,0,0,0|2,1,0]=4 1163 B11R1.90 CC(=O)NCc1scnc1C 1626a_100000752186_100015343762 [0,1,0,0,0,0|2,1,0]=4 1164 B11R1.90 CC(=O)NCc1scnc1C 240690a_100000752186_100015343762 [0,1,0,0,0,0|2,1,0]=4 1165 B11R1.90 CC(=O)NCc1scnc1C 527a_100000752186_100103153847 [0,1,0,0,0,0|2,1,0]=4 1166 B11R1.90 Cc1ccnn1CCC(=O)[13CH3] 1458a_200000759149_200025704644 [0,1,0,0,0,0|2,0,0]=3 1167 B11R1.90 Cc1ccoc1CNC(C)C 207a_100138425928_100000763527 [0,1,0,0,0,0|2,0,1]=4 1168 B11R1.90 Cc1ccoc1COC(C)C 34a_100011273948_100000210206 [0,1,0,0,0,0|2,0,1]=4 1169 B11R1.90 Cc1ccoc1COC(C)C 7a_100011273948_100000210206 [0,1,0,0,0,0|2,0,1]=4 1170 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,1,0,0,0,0|0,1,2]=4 1171 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100000747473_100010247149 [0,1,0,0,0,0|2,1,0]=4 1172 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100010247149_100000747473 [0,1,0,0,0,0|2,1,0]=4 1173 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100010247149_100020667443 [0,1,0,0,0,0|2,1,0]=4 1174 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100020667443_100010247149 [0,1,0,0,0,0|2,1,0]=4 1175 B11R1.90 Cc1nccn1CCC(=O)[13CH3] 1458a_100000186006_200025704644 [0,1,0,0,0,0|3,0,0]=4 1176 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [0,1,0,0,0,0|1,1,0]=3 1177 B11R1.90 Cn1ccnc1CCC(=O)[13CH3] 1458a_200011261795_200025704644 [0,1,0,0,0,0|2,0,0]=3 1178 B11R1.90 Cn1nccc1CCC(=O)[13CH3] 1458a_100000763893_200025704644 [0,1,0,0,0,0|2,0,0]=3 1179 B11R1.90 NC(=O)CSc1sccc1Br 62a_100000747473_100012361411 [0,1,0,0,0,0|2,1,0]=4 1180 B11R1.90 NC(=O)CSc1sccc1Br 62a_100012361411_100000747473 [0,1,0,0,0,0|2,1,0]=4 1181 B11R1.90 O=C([O-])CSc1sccc1Br 62a_100012361411_100020667443 [0,1,0,0,0,0|2,1,0]=4 1182 B11R1.90 O=C([O-])CSc1sccc1Br 62a_100020667443_100012361411 [0,1,0,0,0,0|2,1,0]=4 1183 B11R1.510 CC(C)(C)CSc1ccco1 62a_100009814098_100011219605 [0,1,0,0,0,0|2,0,1]=4 1184 B11R1.510 CC(C)(C)CSc1ccco1 62a_100011219605_100009814098 [0,1,0,0,0,0|2,0,1]=4 1185 B11R1.510 CC(C)(C)NCc1ccco1 207a_100000715429_100000186105 [0,1,0,0,0,0|2,0,1]=4 1186 B11R1.510 CC(C)(C)NCc1ccco1 34a_100000185738_100000210625 [0,1,0,0,0,0|2,0,1]=4 1187 B11R1.510 CC(C)(C)OCc1ccco1 34a_100000210059_100000210625 [0,1,0,0,0,0|2,0,1]=4 1188 B11R1.510 CC(C)(F)CSc1ccco1 62a_100009814098_100011997219 [0,1,0,0,0,0|2,0,1]=4 1189 B11R1.510 CC(C)(F)CSc1ccco1 62a_100011997219_100009814098 [0,1,0,0,0,0|2,0,1]=4 1190 B11R1.510 CC(C)(O)CSc1ccco1 62a_100000764493_100009814098 [0,1,0,0,0,0|1,0,2]=4 1191 B11R1.510 CC(C)(O)CSc1ccco1 62a_100009814098_100000764493 [0,1,0,0,0,0|1,0,2]=4 1192 B11R1.510 CS(=O)(=O)NCc1ccc[nH]1 40a_100000764082_100000738038 [0,1,0,0,0,0|3,0,0]=4 1193 B11R1.510 CS(=O)(=O)NCc1ccco1 40a_100000185738_100000738038 [0,1,0,0,0,0|2,0,0]=3 1194 B11R1.510 CS(=O)(=O)NCc1cccs1 40a_100000211653_100000738038 [0,1,0,0,0,0|2,1,0]=4 1195 B11R1.510 CS(=O)(=O)NCc1cnco1 40a_100020634212_100000738038 [0,1,0,0,0,0|3,0,0]=4 1196 B11R1.510 CS(=O)(=O)NCc1ncco1 40a_100016994969_100000738038 [0,1,0,0,0,0|3,0,0]=4 1197 B11R1.510 C[N+](C)(C)CSc1ccco1 62a_100009814098_200000036245 [0,1,0,0,0,0|3,0,0]=4 1198 B11R1.510 C[N+](C)(C)CSc1ccco1 62a_200000036245_100009814098 [0,1,0,0,0,0|3,0,0]=4 1199 B11R1.510 C[Si](C)(C)CSc1ccco1 62a_100000037933_100009814098 [0,1,0,0,0,0|2,1,0]=4 1200 B11R1.510 C[Si](C)(C)CSc1ccco1 62a_100009814098_100000037933 [0,1,0,0,0,0|2,1,0]=4 1201 B11R1.510 NS(=O)(=O)CSc1ccco1 62a_100000741382_100009814098 [0,1,0,0,0,0|3,0,0]=4 1202 B11R1.510 NS(=O)(=O)CSc1ccco1 62a_100009814098_100000741382 [0,1,0,0,0,0|3,0,0]=4 1203 B11R1.510 O=S(=O)([O-])CSc1ccco1 62a_100009814098_100009817235 [0,1,0,0,0,0|3,0,0]=4 1204 B11R1.510 O=S(=O)([O-])CSc1ccco1 62a_100009817235_100009814098 [0,1,0,0,0,0|3,0,0]=4 1205 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [0,0,1,0,0,0|2,0,1]=4 1206 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [0,0,1,0,0,0|2,0,1]=4 1207 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [0,0,1,0,0,0|2,0,1]=4 1208 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [0,0,1,0,0,0|2,0,1]=4 1209 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,0,1,0,0,0|1,0,2]=4 1210 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,0,1,0,0,0|1,0,2]=4 1211 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,0,1,0,0,0|1,0,2]=4 1212 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,0,1,0,0,0|2,0,1]=4 1213 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,0,1,0,0,0|2,0,1]=4 1214 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,0,1,0,0,0|2,0,1]=4 1215 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,0,1,0,0,0|2,0,1]=4 1216 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,0,1,0,0,0|0,0,2]=3 1217 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,0,1,0,0,0|0,0,2]=3 1218 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,0,1,0,0,0|0,0,2]=3 1219 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [0,0,1,0,0,0|1,0,2]=4 1220 B9R0.2 C=CCOCCNC(=O)C 34a_100000158858_100015514636 [0,0,1,0,0,0|1,0,2]=4 1221 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [0,0,1,0,0,0|1,0,2]=4 1222 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,0,1,0,0,0|0,1,2]=4 1223 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,0,1,0,0,0|0,1,2]=4 1224 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,0,1,0,0,0|1,0,2]=4 1225 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,0,1,0,0,0|1,0,2]=4 1226 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [0,0,1,0,0,0|2,0,1]=4 1227 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [0,0,1,0,0,0|2,0,1]=4 1228 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [0,0,1,0,0,0|2,0,1]=4 1229 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [0,0,1,0,0,0|2,0,1]=4 1230 B9R0.48 C=C(C)CCC(=O)C=CBr 1458a_100016273825_100000730704 [0,0,1,0,0,0|2,0,1]=4 1231 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,0,1,0,0,0|1,0,2]=4 1232 B9R0.48 C=C(C)CCC(=O)C=CCl 1458a_200016279998_100000730704 [0,0,1,0,0,0|2,0,1]=4 1233 B9R0.48 C=C(C)CCC(=O)C=CI 1458a_100016256311_100000730704 [0,0,1,0,0,0|2,0,1]=4 1234 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_100000210193_100000730704 [0,0,1,0,0,0|1,0,2]=4 1235 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_200000688413_100000210623 [0,0,1,0,0,0|1,0,2]=4 1236 B9R0.48 C=CCC(=O)CCC(=O)N 1458a_100011215257_100000210623 [0,0,1,0,0,0|1,0,2]=4 1237 B9R0.48 C=CCC(=O)CNC(=O)C 1458a_100000194580_100000210623 [0,0,1,0,0,0|1,0,2]=4 1238 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [0,0,1,0,0,0|1,0,2]=4 1239 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [0,0,1,0,0,0|1,0,2]=4 1240 B9R0.48 C=CCN(C)CCC(=O)C 269982a_100000225617_100000053229 [0,0,1,0,0,0|2,0,1]=4 1241 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,1,0,0,0|1,0,2]=4 1242 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,1,0,0,0|1,0,2]=4 1243 B11R2.11 O=C1CC(C1)N2CC=CC2 269982a_100015195280_100009894365 [0,0,0,1,0,0|2,0,1]=4 1244 B11R2.36 CN1CCc2sccc2C1 2230a_100015185043_200000210301 [0,0,0,1,0,0|2,1,0]=4 1245 B11R2.36 CN1CCc2sccc2C1 269982a_100015185043_200000210301 [0,0,0,1,0,0|2,1,0]=4 1246 B11R2.36 CN1CCc2sccc2C1 34a_100015185043_200000210301 [0,0,0,1,0,0|2,1,0]=4 1247 B11R2.36 [13CH3]N1CCc2sccc2C1 2230a_100015185043_200025704644 [0,0,0,1,0,0|2,1,0]=4 1248 B11R2.36 [13CH3]N1CCc2sccc2C1 269982a_100015185043_200025704644 [0,0,0,1,0,0|2,1,0]=4 1249 B11R2.36 [13CH3]N1CCc2sccc2C1 34a_100015185043_200025704644 [0,0,0,1,0,0|2,1,0]=4 1250 B11R2.385 c1coc(c1)CNC2CC2 34a_100000185738_100000211595 [0,0,0,1,0,0|2,0,1]=4 1251 B11R2.385 c1coc(c1)COC2CC2 34a_100000210059_100000211595 [0,0,0,1,0,0|2,0,1]=4 1252 B11R2.385 c1coc(c1)SCC2CC2 62a_100000756562_100009814098 [0,0,0,1,0,0|2,0,1]=4 1253 B11R2.385 c1coc(c1)SCC2CC2 62a_100009814098_100000742324 [0,0,0,1,0,0|2,0,1]=4 1254 B11R2.385 c1coc(c1)SCC2CO2 62a_100009814098_102125554688 [0,0,0,1,0,0|1,0,2]=4 1255 B11R2.385 c1coc(c1)SCC2CO2 62a_102125554688_100009814098 [0,0,0,1,0,0|1,0,2]=4 1256 B11R2.385 c1coc(c1)SCC2CS2 62a_100000031435_100009814098 [0,0,0,1,0,0|1,1,1]=4 1257 B11R2.385 c1coc(c1)SCC2CS2 62a_100009814098_100000031435 [0,0,0,1,0,0|1,1,1]=4 1258 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100000745022_100009814098 [0,0,0,1,0,0|1,0,2]=4 1259 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100009814098_100000745022 [0,0,0,1,0,0|1,0,2]=4 1260 B11R2.845 CC(=O)C1CC2C=CC1C2 1458a_100000211946_200000210301 [0,0,0,1,0,0|1,0,2]=4 1261 B11R2.845 [13CH3]C(=O)C1CC2C=CC1C2 1458a_100000211946_200025704644 [0,0,0,1,0,0|1,0,2]=4 1262 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,0,0,0,1,0|1,0,1]=3 1263 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,0,0,0,1,0|1,1,1]=4 1264 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [0,0,0,0,1,0|2,0,1]=4 1265 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,0,0,0,1,0|2,0,1]=4 1266 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,0,1,0|1,0,2]=4 1267 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,0,0,0,1,0|1,0,2]=4 1268 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [0,0,0,0,1,0|1,0,2]=4 1269 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,1,0|2,0,0]=3 1270 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,1,0|2,0,0]=3 1271 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,1,0|1,0,0]=2 1272 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,1,0|0,0,0]=1 1273 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,1,0|0,1,0]=2 1274 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,0,0,0,1,0|2,0,0]=3 1275 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,0,0,0,1,0|2,0,0]=3 1276 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,1,0|2,0,0]=3 1277 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,1,0|2,0,0]=3 1278 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,1,0|2,0,0]=3 1279 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,1,0|2,0,0]=3 1280 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,1,0|1,1,0]=3 1281 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,1,0|2,0,0]=3 1282 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,1,0|2,0,0]=3 1283 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,1,0|1,0,0]=2 1284 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,1,0|1,1,0]=3 1285 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,0,0,1,0|2,0,0]=3 1286 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,1,0|2,0,0]=3 1287 B9R1.13 CC(=O)Cn1ccnc1 1458a_100000739072_200000210301 [0,0,0,0,1,0|3,0,0]=4 1288 B9R1.13 CC(=O)Cn1ccnn1 1458a_100000080816_200000210301 [0,0,0,0,1,0|3,0,0]=4 1289 B9R1.13 CC(=O)Cn1cncn1 1458a_100000070787_200020645497 [0,0,0,0,1,0|3,0,0]=4 1290 B9R1.13 CC(=O)Cn1cncn1 1458a_100000699347_200000210301 [0,0,0,0,1,0|3,0,0]=4 1291 B9R1.13 CC(=O)Cn1nccn1 1458a_100000080817_200000210301 [0,0,0,0,1,0|3,0,0]=4 1292 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,0,0,0,1,0|2,0,1]=4 1293 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,0,0,0,1,0|2,0,1]=4 1294 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [0,0,0,0,1,0|2,0,0]=3 1295 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [0,0,0,0,1,0|2,0,0]=3 1296 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [0,0,0,0,1,0|2,0,0]=3 1297 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [0,0,0,0,1,0|2,1,0]=4 1298 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [0,0,0,0,1,0|2,1,0]=4 1299 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [0,0,0,0,1,0|2,1,0]=4 1300 B9R1.13 CN(C)Cc1cnco1 270004a_100102631434_100000064291 [0,0,0,0,1,0|3,0,0]=4 1301 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [0,0,0,0,1,0|3,0,0]=4 1302 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [0,0,0,0,1,0|3,0,0]=4 1303 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [0,0,0,0,1,0|3,0,0]=4 1304 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [0,0,0,0,1,0|2,0,0]=3 1305 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [0,0,0,0,1,0|2,0,0]=3 1306 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [0,0,0,0,1,0|2,1,0]=4 1307 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [0,0,0,0,1,0|2,1,0]=4 1308 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,0,1,0|1,0,2]=4 1309 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,0,0,0,1,0|1,0,2]=4 1310 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [0,0,0,0,1,0|1,0,2]=4 1311 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,1,0|2,0,0]=3 1312 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,1,0|1,0,0]=2 1313 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,1,0|0,0,0]=1 1314 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,1,0|0,1,0]=2 1315 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,0,0,0,1,0|2,0,0]=3 1316 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,1,0|2,0,0]=3 1317 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,1,0|2,0,0]=3 1318 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,1,0|2,0,0]=3 1319 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,0,0,1,0|2,0,0]=3 1320 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,1,0|2,0,0]=3 1321 B9R1.13 [13CH3]C(=O)Cn1ccnc1 1458a_100000739072_200025704644 [0,0,0,0,1,0|3,0,0]=4 1322 B9R1.13 [13CH3]C(=O)Cn1ccnn1 1458a_100000080816_200025704644 [0,0,0,0,1,0|3,0,0]=4 1323 B9R1.13 [13CH3]C(=O)Cn1cncn1 1458a_100000699347_200025704644 [0,0,0,0,1,0|3,0,0]=4 1324 B9R1.13 [13CH3]C(=O)Cn1nccn1 1458a_100000080817_200025704644 [0,0,0,0,1,0|3,0,0]=4 1325 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,0,1|3,0,0]=4 1326 B11R1.91 C=C(C)CNc1cccnn1 27a_100000765925_100016991348 [0,0,0,0,0,1|3,0,0]=4 1327 B11R1.91 C=C(C)CNc1ccncn1 27a_100000765925_100000703185 [0,0,0,0,0,1|3,0,0]=4 1328 B11R1.91 C=C(C)CNc1cnccn1 27a_100000765925_100000211759 [0,0,0,0,0,1|3,0,0]=4 1329 B11R1.91 C=C(C)CNc1ncccn1 27a_100000765925_100000211032 [0,0,0,0,0,1|3,0,0]=4 1330 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,0,1|3,0,0]=4 1331 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,0,1|3,0,0]=4 1332 B11R1.91 C=C(C)COc1cccnc1 34a_100000210849_100000748629 [0,0,0,0,0,1|3,0,0]=4 1333 B11R1.91 C=C(C)COc1cccnc1 7a_100000210849_100000748629 [0,0,0,0,0,1|3,0,0]=4 1334 B11R1.91 C=C(C)COc1ccncc1 34a_100000212176_100000748629 [0,0,0,0,0,1|3,0,0]=4 1335 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,0,1|3,0,0]=4 1336 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,0,1|3,0,0]=4 1337 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,0,0,0,0,1|3,0,0]=4 1338 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,0,0,0,0,1|3,0,0]=4 1339 B11R1.91 C=C(C)CSc1cccnc1 62a_100000210063_100000211660 [0,0,0,0,0,1|3,0,0]=4 1340 B11R1.91 C=C(C)CSc1cccnc1 62a_100000748629_100000210063 [0,0,0,0,0,1|3,0,0]=4 1341 B11R1.91 C=C(C)CSc1cccnn1 62a_100000748629_100016991348 [0,0,0,0,0,1|3,0,0]=4 1342 B11R1.91 C=C(C)CSc1cccnn1 62a_100016991348_100000211660 [0,0,0,0,0,1|3,0,0]=4 1343 B11R1.91 C=C(C)CSc1ccncc1 62a_100000728582_100000211660 [0,0,0,0,0,1|3,0,0]=4 1344 B11R1.91 C=C(C)CSc1ccncc1 62a_100000748629_100000728582 [0,0,0,0,0,1|3,0,0]=4 1345 B11R1.91 C=C(C)CSc1ccncn1 62a_100000703185_100000211660 [0,0,0,0,0,1|3,0,0]=4 1346 B11R1.91 C=C(C)CSc1ccncn1 62a_100000748629_100000703185 [0,0,0,0,0,1|3,0,0]=4 1347 B11R1.91 C=C(C)CSc1cnccn1 62a_100000211759_100000211660 [0,0,0,0,0,1|3,0,0]=4 1348 B11R1.91 C=C(C)CSc1cnccn1 62a_100000748629_100000211759 [0,0,0,0,0,1|3,0,0]=4 1349 B11R1.91 C=C(C)CSc1ncccn1 62a_100000211032_100000211660 [0,0,0,0,0,1|3,0,0]=4 1350 B11R1.91 C=C(C)CSc1ncccn1 62a_100000748629_100000211032 [0,0,0,0,0,1|3,0,0]=4 1351 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,1|1,0,2]=4 1352 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,1|1,0,2]=4 1353 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,1|1,0,2]=4 1354 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,1|1,0,2]=4 1355 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,1|1,0,2]=4 1356 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,0,0,0,0,1|1,0,2]=4 1357 B11R1.91 CC(=O)CCN1CC=CCC1 269982a_100000698166_100000053229 [0,0,0,0,0,1|2,0,1]=4 1358 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,1|1,0,0]=2 1359 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,1|1,0,0]=2 1360 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,1|1,0,0]=2 1361 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,1|1,0,0]=2 1362 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,1|1,0,0]=2 1363 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,1|1,0,0]=2 1364 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,1|1,0,0]=2 1365 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,1|1,0,0]=2 1366 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,1|2,0,0]=3 1367 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,1|2,0,0]=3 1368 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,1|2,0,0]=3 1369 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,1|2,0,0]=3 1370 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,1|2,0,0]=3 1371 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,1|2,0,0]=3 1372 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,1|2,0,0]=3 1373 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,1|2,0,0]=3 1374 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,1|2,0,0]=3 1375 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,1|2,0,0]=3 1376 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,1|2,0,0]=3 1377 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,1|2,0,0]=3 1378 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,1|2,0,0]=3 1379 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,1|2,0,0]=3 1380 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,1|2,0,0]=3 1381 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,1|2,0,0]=3 1382 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,1|2,0,0]=3 1383 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,0,0,0,0,1|2,0,0]=3 1384 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,0,0,0,0,1|2,0,0]=3 1385 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,0,0,0,0,1|2,0,0]=3 1386 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,1|2,0,0]=3 1387 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,1|2,0,0]=3 1388 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,1|2,0,0]=3 1389 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,1|2,0,0]=3 1390 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,0,0,0,0,1|2,0,0]=3 1391 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,0,0,0,0,1|2,0,0]=3 1392 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,0,0,0,0,1|2,0,0]=3 1393 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,0,0,0,0,1|2,0,0]=3 1394 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,0,0,0,0,1|2,0,0]=3 1395 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,0,0,0,0,1|2,0,0]=3 1396 B11R1.91 CC(=O)NCc1cncnc1 11a_100011243677_100015343762 [0,0,0,0,0,1|3,0,0]=4 1397 B11R1.91 CC(=O)NCc1cncnc1 240690a_100011243677_100015343762 [0,0,0,0,0,1|3,0,0]=4 1398 B11R1.91 CC(=O)NCc1cncnc1 527a_100011243677_100103153847 [0,0,0,0,0,1|3,0,0]=4 1399 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,0,0,0,0,1|2,0,0]=3 1400 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,0,0,0,0,1|2,0,0]=3 1401 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,0,0,0,0,1|2,0,0]=3 1402 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,1|3,0,0]=4 1403 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,1|3,0,0]=4 1404 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,1|3,0,0]=4 1405 B11R1.91 CC(=O)NNc1cccnn1 22a_100000757824_100000070787 [0,0,0,0,0,1|3,0,0]=4 1406 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,0,0,0,0,1|3,0,0]=4 1407 B11R1.91 CC(=O)NNc1ccncn1 22a_100011438088_100000070787 [0,0,0,0,0,1|3,0,0]=4 1408 B11R1.91 CC(=O)NNc1cnccn1 22a_100000736894_100000070787 [0,0,0,0,0,1|3,0,0]=4 1409 B11R1.91 CC(=O)NNc1ncccn1 22a_100000736892_100000070787 [0,0,0,0,0,1|3,0,0]=4 1410 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,0,0,0,0,1|3,0,0]=4 1411 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,0,0,0,0,1|3,0,0]=4 1412 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,0,0,0,0,1|3,0,0]=4 1413 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,0,0,0,0,1|3,0,0]=4 1414 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [0,0,0,0,0,1|3,0,0]=4 1415 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [0,0,0,0,0,1|3,0,0]=4 1416 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [0,0,0,0,0,1|3,0,0]=4 1417 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [0,0,0,0,0,1|3,0,0]=4 1418 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [0,0,0,0,0,1|3,0,0]=4 1419 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [0,0,0,0,0,1|3,0,0]=4 1420 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [0,0,0,0,0,1|3,0,0]=4 1421 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [0,0,0,0,0,1|3,0,0]=4 1422 B11R1.91 CN(C)CCc1ccncc1 2230a_100000742850_200000210301 [0,0,0,0,0,1|3,0,0]=4 1423 B11R1.91 CN(C)CCc1ccncc1 2230a_100102631434_100000723409 [0,0,0,0,0,1|3,0,0]=4 1424 B11R1.91 CN(C)CCc1ccncc1 269982a_100000742850_200000210301 [0,0,0,0,0,1|3,0,0]=4 1425 B11R1.91 CN(C)CCc1ccncc1 269982a_100102631434_100000723409 [0,0,0,0,0,1|3,0,0]=4 1426 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,0,0,0,0,1|3,0,0]=4 1427 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,0,0,0,0,1|3,0,0]=4 1428 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [0,0,0,0,0,1|3,0,0]=4 1429 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [0,0,0,0,0,1|3,0,0]=4 1430 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [0,0,0,0,0,1|3,0,0]=4 1431 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [0,0,0,0,0,1|3,0,0]=4 1432 B11R1.91 CN([13CH3])CCc1ccncc1 2230a_100000742850_200025704644 [0,0,0,0,0,1|3,0,0]=4 1433 B11R1.91 CN([13CH3])CCc1ccncc1 269982a_100000742850_200025704644 [0,0,0,0,0,1|3,0,0]=4 1434 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,1|3,0,0]=4 1435 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,1|3,0,0]=4 1436 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,1|3,0,0]=4 1437 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,0,1|3,0,0]=4 1438 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,0,1|3,0,0]=4 1439 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,0,0,0,0,1|3,0,0]=4 1440 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,1|3,0,0]=4 1441 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,1|3,0,0]=4 1442 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,1|3,0,0]=4 1443 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,1|3,0,0]=4 1444 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,0,1|3,0,0]=4 1445 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,0,1|3,0,0]=4 1446 B11R1.91 NC(=O)CSc1cccnn1 62a_100000747473_100016991348 [0,0,0,0,0,1|3,0,0]=4 1447 B11R1.91 NC(=O)CSc1cccnn1 62a_100016991348_100000747473 [0,0,0,0,0,1|3,0,0]=4 1448 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,0,0,0,0,1|3,0,0]=4 1449 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,0,0,0,0,1|3,0,0]=4 1450 B11R1.91 NC(=O)CSc1ccncn1 62a_100000703185_100000747473 [0,0,0,0,0,1|3,0,0]=4 1451 B11R1.91 NC(=O)CSc1ccncn1 62a_100000747473_100000703185 [0,0,0,0,0,1|3,0,0]=4 1452 B11R1.91 NC(=O)CSc1cnccn1 62a_100000211759_100000747473 [0,0,0,0,0,1|3,0,0]=4 1453 B11R1.91 NC(=O)CSc1cnccn1 62a_100000747473_100000211759 [0,0,0,0,0,1|3,0,0]=4 1454 B11R1.91 NC(=O)CSc1ncccn1 62a_100000211032_100000747473 [0,0,0,0,0,1|3,0,0]=4 1455 B11R1.91 NC(=O)CSc1ncccn1 62a_100000747473_100000211032 [0,0,0,0,0,1|3,0,0]=4 1456 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,1|3,0,0]=4 1457 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,1|3,0,0]=4 1458 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,1|3,0,0]=4 1459 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,0,0,0,0,1|3,0,0]=4 1460 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,1|3,0,0]=4 1461 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,1|3,0,0]=4 1462 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,1|3,0,0]=4 1463 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,1|3,0,0]=4 1464 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,1|3,0,0]=4 1465 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,1|3,0,0]=4 1466 B11R1.91 O=C([O-])CSc1cccnn1 62a_100016991348_100020667443 [0,0,0,0,0,1|3,0,0]=4 1467 B11R1.91 O=C([O-])CSc1cccnn1 62a_100020667443_100016991348 [0,0,0,0,0,1|3,0,0]=4 1468 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,0,0,0,0,1|3,0,0]=4 1469 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,0,0,0,0,1|3,0,0]=4 1470 B11R1.91 O=C([O-])CSc1ccncn1 62a_100000703185_100020667443 [0,0,0,0,0,1|3,0,0]=4 1471 B11R1.91 O=C([O-])CSc1ccncn1 62a_100020667443_100000703185 [0,0,0,0,0,1|3,0,0]=4 1472 B11R1.91 O=C([O-])CSc1cnccn1 62a_100000211759_100020667443 [0,0,0,0,0,1|3,0,0]=4 1473 B11R1.91 O=C([O-])CSc1cnccn1 62a_100020667443_100000211759 [0,0,0,0,0,1|3,0,0]=4 1474 B11R1.91 O=C([O-])CSc1ncccn1 62a_100000211032_100020667443 [0,0,0,0,0,1|3,0,0]=4 1475 B11R1.91 O=C([O-])CSc1ncccn1 62a_100020667443_100000211032 [0,0,0,0,0,1|3,0,0]=4 1476 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,1|1,0,2]=4 1477 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,1|1,0,2]=4 1478 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,1|1,0,2]=4 1479 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,1|1,0,2]=4 1480 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,1|1,0,2]=4 1481 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,0,0,0,0,1|1,0,2]=4 1482 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,1|1,0,0]=2 1483 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,1|1,0,0]=2 1484 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,1|1,0,0]=2 1485 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,1|1,0,0]=2 1486 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,1|2,0,0]=3 1487 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,1|2,0,0]=3 1488 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,1|2,0,0]=3 1489 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,1|2,0,0]=3 1490 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,1|2,0,0]=3 1491 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,1|2,0,0]=3 1492 B11R1.172 C=C(C)CCOc1ccsc1 34a_100000106738_100000730704 [0,0,0,0,0,1|3,0,0]=4 1493 B11R1.172 C=C(C)CCOc1ccsc1 7a_100000106738_100000730704 [0,0,0,0,0,1|3,0,0]=4 1494 B11R1.172 C=C(C)CCSc1c[nH]cn1 62a_100000730704_100000756875 [0,0,0,0,0,1|3,0,0]=4 1495 B11R1.172 C=C(C)CCSc1c[nH]cn1 62a_100000756875_100000730704 [0,0,0,0,0,1|3,0,0]=4 1496 B11R1.172 C=C(C)CCSc1cc[nH]n1 62a_100000062575_100000730704 [0,0,0,0,0,1|3,0,0]=4 1497 B11R1.172 C=C(C)CCSc1cc[nH]n1 62a_100000730704_100000062575 [0,0,0,0,0,1|3,0,0]=4 1498 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [0,0,0,0,0,1|1,0,0]=2 1499 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [0,0,0,0,0,1|1,0,0]=2 1500 B11R1.172 C=C(C)CCSc1cccs1 62a_100000730704_100011215356 [0,0,0,0,0,1|1,1,0]=3 1501 B11R1.172 C=C(C)CCSc1cccs1 62a_100011215356_100000730704 [0,0,0,0,0,1|1,1,0]=3 1502 B11R1.172 C=C(C)CCSc1ccoc1 62a_100000730704_100011215275 [0,0,0,0,0,1|3,0,0]=4 1503 B11R1.172 C=C(C)CCSc1ccoc1 62a_100011215275_100000730704 [0,0,0,0,0,1|3,0,0]=4 1504 B11R1.172 C=C(C)CCSc1ccon1 62a_100000730704_100009818083 [0,0,0,0,0,1|3,0,0]=4 1505 B11R1.172 C=C(C)CCSc1ccon1 62a_100009818083_100000730704 [0,0,0,0,0,1|3,0,0]=4 1506 B11R1.172 C=C(C)CCSc1ccsc1 62a_100000730704_100000738268 [0,0,0,0,0,1|3,0,0]=4 1507 B11R1.172 C=C(C)CCSc1ccsc1 62a_100000738268_100000730704 [0,0,0,0,0,1|3,0,0]=4 1508 B11R1.172 C=C(C)CCSc1ccsn1 62a_100000730704_100009818082 [0,0,0,0,0,1|3,0,0]=4 1509 B11R1.172 C=C(C)CCSc1ccsn1 62a_100009818082_100000730704 [0,0,0,0,0,1|3,0,0]=4 1510 B11R1.172 C=C(C)CCSc1cnco1 62a_100000730704_100020591547 [0,0,0,0,0,1|2,0,0]=3 1511 B11R1.172 C=C(C)CCSc1cnco1 62a_100020591547_100000730704 [0,0,0,0,0,1|2,0,0]=3 1512 B11R1.172 C=C(C)CCSc1cncs1 62a_100000730704_100011934649 [0,0,0,0,0,1|2,1,0]=4 1513 B11R1.172 C=C(C)CCSc1cncs1 62a_100011934649_100000730704 [0,0,0,0,0,1|2,1,0]=4 1514 B11R1.172 C=C(C)CCSc1cscn1 62a_100000730704_100000751502 [0,0,0,0,0,1|3,0,0]=4 1515 B11R1.172 C=C(C)CCSc1cscn1 62a_100000751502_100000730704 [0,0,0,0,0,1|3,0,0]=4 1516 B11R1.172 C=C(C)CCSc1ncc[nH]1 62a_100000730704_100025796157 [0,0,0,0,0,1|3,0,0]=4 1517 B11R1.172 C=C(C)CCSc1ncc[nH]1 62a_100025796157_100000730704 [0,0,0,0,0,1|3,0,0]=4 1518 B11R1.172 C=C(C)CCSc1ncco1 62a_100000730704_100011787736 [0,0,0,0,0,1|2,0,0]=3 1519 B11R1.172 C=C(C)CCSc1ncco1 62a_100011787736_100000730704 [0,0,0,0,0,1|2,0,0]=3 1520 B11R1.172 C=C(C)CCSc1nccs1 62a_100000211983_100000730704 [0,0,0,0,0,1|2,1,0]=4 1521 B11R1.172 C=C(C)CCSc1nccs1 62a_100000730704_100000211983 [0,0,0,0,0,1|2,1,0]=4 1522 B11R1.172 C=C(C)CNCc1ccco1 2230a_100000185738_100000748629 [0,0,0,0,0,1|1,0,0]=2 1523 B11R1.172 C=C(C)CNCc1ccco1 34a_100000185738_100000748629 [0,0,0,0,0,1|1,0,0]=2 1524 B11R1.172 C=C(C)CNCc1cccs1 2230a_100000211653_100000748629 [0,0,0,0,0,1|1,1,0]=3 1525 B11R1.172 C=C(C)CNCc1ccoc1 2230a_100015206860_100000748629 [0,0,0,0,0,1|3,0,0]=4 1526 B11R1.172 C=C(C)CNCc1ccoc1 34a_100015206860_100000748629 [0,0,0,0,0,1|3,0,0]=4 1527 B11R1.172 C=C(C)CNCc1ccsc1 2230a_100000186416_100000748629 [0,0,0,0,0,1|3,0,0]=4 1528 B11R1.172 C=C(C)CNCc1ccsc1 34a_100000186416_100000748629 [0,0,0,0,0,1|3,0,0]=4 1529 B11R1.172 C=C(C)CNCc1cncs1 2230a_100016987365_100000748629 [0,0,0,0,0,1|2,1,0]=4 1530 B11R1.172 C=C(C)CNCc1cscn1 2230a_100015185402_100000748629 [0,0,0,0,0,1|3,0,0]=4 1531 B11R1.172 C=C(C)CNCc1ncco1 2230a_100016994969_100000748629 [0,0,0,0,0,1|2,0,0]=3 1532 B11R1.172 C=C(C)CNCc1nccs1 2230a_100000740555_100000748629 [0,0,0,0,0,1|2,1,0]=4 1533 B11R1.172 C=C(C)COCc1c[nH]cn1 34a_100000210245_100000707719 [0,0,0,0,0,1|3,0,0]=4 1534 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [0,0,0,0,0,1|1,0,0]=2 1535 B11R1.172 C=C(C)COCc1cccs1 34a_100000211240_100000748629 [0,0,0,0,0,1|1,1,0]=3 1536 B11R1.172 C=C(C)COCc1ccn[nH]1 34a_100000210245_100000728653 [0,0,0,0,0,1|3,0,0]=4 1537 B11R1.172 C=C(C)COCc1ccno1 34a_100000740478_100000748629 [0,0,0,0,0,1|2,0,0]=3 1538 B11R1.172 C=C(C)COCc1ccoc1 34a_100011215357_100000748629 [0,0,0,0,0,1|3,0,0]=4 1539 B11R1.172 C=C(C)COCc1ccon1 34a_100000210245_100000234950 [0,0,0,0,0,1|3,0,0]=4 1540 B11R1.172 C=C(C)COCc1ccsc1 34a_100000210245_100011261437 [0,0,0,0,0,1|3,0,0]=4 1541 B11R1.172 C=C(C)COCc1ccsc1 34a_100011215551_100000748629 [0,0,0,0,0,1|3,0,0]=4 1542 B11R1.172 C=C(C)COCc1cncs1 34a_100000210245_100015185245 [0,0,0,0,0,1|2,1,0]=4 1543 B11R1.172 C=C(C)COCc1cscn1 34a_100000210245_100000205941 [0,0,0,0,0,1|3,0,0]=4 1544 B11R1.172 C=C(C)COCc1ncc[nH]1 34a_100000210245_100016991755 [0,0,0,0,0,1|3,0,0]=4 1545 B11R1.172 C=C(C)COCc1ncco1 34a_100000062594_100000748629 [0,0,0,0,0,1|2,0,0]=3 1546 B11R1.172 C=C(C)COCc1ncco1 34a_100000210245_103436540062 [0,0,0,0,0,1|2,0,0]=3 1547 B11R1.172 C=C(C)COCc1nccs1 34a_100000210245_100015184050 [0,0,0,0,0,1|2,1,0]=4 1548 B11R1.172 C=C(C)COCn1cccn1 34a_100000731028_100000748629 [0,0,0,0,0,1|3,0,0]=4 1549 B11R1.172 C=C(C)CSCc1c[nH]cn1 62a_100000707719_100000211660 [0,0,0,0,0,1|3,0,0]=4 1550 B11R1.172 C=C(C)CSCc1c[nH]cn1 62a_100000748629_100000707719 [0,0,0,0,0,1|3,0,0]=4 1551 B11R1.172 C=C(C)CSCc1ccn[nH]1 62a_100000728653_100000211660 [0,0,0,0,0,1|3,0,0]=4 1552 B11R1.172 C=C(C)CSCc1ccn[nH]1 62a_100000748629_100000728653 [0,0,0,0,0,1|3,0,0]=4 1553 B11R1.172 C=C(C)CSCc1ccon1 62a_100000234950_100000211660 [0,0,0,0,0,1|3,0,0]=4 1554 B11R1.172 C=C(C)CSCc1ccon1 62a_100000748629_100000234950 [0,0,0,0,0,1|3,0,0]=4 1555 B11R1.172 C=C(C)CSCc1ccsc1 62a_100000748629_100011233845 [0,0,0,0,0,1|3,0,0]=4 1556 B11R1.172 C=C(C)CSCc1ccsc1 62a_100011261437_100000211660 [0,0,0,0,0,1|3,0,0]=4 1557 B11R1.172 C=C(C)CSCc1cncs1 62a_100000748629_100015185245 [0,0,0,0,0,1|2,1,0]=4 1558 B11R1.172 C=C(C)CSCc1cncs1 62a_100015185245_100000211660 [0,0,0,0,0,1|2,1,0]=4 1559 B11R1.172 C=C(C)CSCc1cscn1 62a_100000205941_100000211660 [0,0,0,0,0,1|3,0,0]=4 1560 B11R1.172 C=C(C)CSCc1cscn1 62a_100000748629_100000205941 [0,0,0,0,0,1|3,0,0]=4 1561 B11R1.172 C=C(C)CSCc1ncc[nH]1 62a_100000748629_100016991755 [0,0,0,0,0,1|3,0,0]=4 1562 B11R1.172 C=C(C)CSCc1ncc[nH]1 62a_100016991755_100000211660 [0,0,0,0,0,1|3,0,0]=4 1563 B11R1.172 C=C(C)CSCc1ncco1 62a_100000748629_103436540062 [0,0,0,0,0,1|2,0,0]=3 1564 B11R1.172 C=C(C)CSCc1ncco1 62a_103436540062_100000211660 [0,0,0,0,0,1|2,0,0]=3 1565 B11R1.172 C=C(C)CSCc1nccs1 62a_100000748629_100015184050 [0,0,0,0,0,1|2,1,0]=4 1566 B11R1.172 C=C(C)CSCc1nccs1 62a_100015184050_100000211660 [0,0,0,0,0,1|2,1,0]=4 1567 B11R1.172 C=C(F)CNCc1ccco1 2230a_100000185738_100009893438 [0,0,0,0,0,1|1,0,1]=3 1568 B11R1.172 C=C(F)CNCc1ccco1 34a_100000185738_100009893438 [0,0,0,0,0,1|1,0,1]=3 1569 B11R1.172 C=C(F)CNCc1cccs1 2230a_100000211653_100009893438 [0,0,0,0,0,1|1,1,1]=4 1570 B11R1.172 C=C(F)CNCc1ncco1 2230a_100016994969_100009893438 [0,0,0,0,0,1|2,0,1]=4 1571 B11R1.172 C=C(F)COCc1ccco1 34a_100000210059_100009893438 [0,0,0,0,0,1|1,0,1]=3 1572 B11R1.172 C=C(F)COCc1cccs1 34a_100000211240_100009893438 [0,0,0,0,0,1|1,1,1]=4 1573 B11R1.172 C=C(F)COCc1ccno1 34a_100000740478_100009893438 [0,0,0,0,0,1|2,0,1]=4 1574 B11R1.172 C=C(F)COCc1ncco1 34a_100000062594_100009893438 [0,0,0,0,0,1|2,0,1]=4 1575 B11R1.172 C=C(F)COCc1ncco1 34a_200010262243_103436540062 [0,0,0,0,0,1|2,0,1]=4 1576 B11R1.172 C=C(F)CSCc1ncco1 62a_100000042424_103436540062 [0,0,0,0,0,1|2,0,1]=4 1577 B11R1.172 C=C(F)CSCc1ncco1 62a_103436540062_100000042424 [0,0,0,0,0,1|2,0,1]=4 1578 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [0,0,0,0,0,1|1,0,1]=3 1579 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [0,0,0,0,0,1|1,0,1]=3 1580 B11R1.172 CC(=CCSc1cccs1)C 62a_100000761012_100011215356 [0,0,0,0,0,1|1,1,1]=4 1581 B11R1.172 CC(=CCSc1cccs1)C 62a_100011215356_100000761012 [0,0,0,0,0,1|1,1,1]=4 1582 B11R1.172 CC(=CCSc1cnco1)C 62a_100000761012_100020591547 [0,0,0,0,0,1|2,0,1]=4 1583 B11R1.172 CC(=CCSc1cnco1)C 62a_100020591547_100000761012 [0,0,0,0,0,1|2,0,1]=4 1584 B11R1.172 CC(=CCSc1ncco1)C 62a_100000761012_100011787736 [0,0,0,0,0,1|2,0,1]=4 1585 B11R1.172 CC(=CCSc1ncco1)C 62a_100011787736_100000761012 [0,0,0,0,0,1|2,0,1]=4 1586 B11R1.172 CC(=O)CCCN1CC=CC1 269982a_100015195280_100011215641 [0,0,0,0,0,1|2,0,1]=4 1587 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,0,0,0,0,1|0,1,0]=2 1588 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,0,0,0,0,1|0,1,0]=2 1589 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000070787_200009814367 [0,0,0,0,0,1|2,0,0]=3 1590 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000691410_200000210301 [0,0,0,0,0,1|2,0,0]=3 1591 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000070787_100000739983 [0,0,0,0,0,1|2,0,0]=3 1592 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000742828_200000210301 [0,0,0,0,0,1|2,0,0]=3 1593 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000070787_100000756272 [0,0,0,0,0,1|3,0,0]=4 1594 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000748695_200000210301 [0,0,0,0,0,1|3,0,0]=4 1595 B11R1.172 CC(=O)CCCn1cncn1 1458a_100000070787_100102700105 [0,0,0,0,0,1|3,0,0]=4 1596 B11R1.172 CC(=O)CCCn1cncn1 1458a_100015186313_200000210301 [0,0,0,0,0,1|3,0,0]=4 1597 B11R1.172 CC(=O)CCOc1ccsc1 7a_100000106738_100000053229 [0,0,0,0,0,1|2,0,0]=3 1598 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000053229_100000756875 [0,0,0,0,0,1|2,0,0]=3 1599 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000756875_100000053229 [0,0,0,0,0,1|2,0,0]=3 1600 B11R1.172 CC(=O)CCSc1c[nH]nn1 62a_100000053229_100009819707 [0,0,0,0,0,1|3,0,0]=4 1601 B11R1.172 CC(=O)CCSc1c[nH]nn1 62a_100009819707_100000053229 [0,0,0,0,0,1|3,0,0]=4 1602 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000053229_100000062575 [0,0,0,0,0,1|2,0,0]=3 1603 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000062575_100000053229 [0,0,0,0,0,1|2,0,0]=3 1604 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,0,0,0,0,1|0,0,0]=1 1605 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,0,0,0,0,1|0,0,0]=1 1606 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,0,0,0,0,1|0,1,0]=2 1607 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,0,0,0,0,1|0,1,0]=2 1608 B11R1.172 CC(=O)CCSc1ccoc1 62a_100000053229_100011215275 [0,0,0,0,0,1|2,0,0]=3 1609 B11R1.172 CC(=O)CCSc1ccoc1 62a_100011215275_100000053229 [0,0,0,0,0,1|2,0,0]=3 1610 B11R1.172 CC(=O)CCSc1ccon1 62a_100000053229_100009818083 [0,0,0,0,0,1|2,0,0]=3 1611 B11R1.172 CC(=O)CCSc1ccon1 62a_100009818083_100000053229 [0,0,0,0,0,1|2,0,0]=3 1612 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000053229_100000738268 [0,0,0,0,0,1|2,0,0]=3 1613 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000738268_100000053229 [0,0,0,0,0,1|2,0,0]=3 1614 B11R1.172 CC(=O)CCSc1ccsn1 62a_100000053229_100009818082 [0,0,0,0,0,1|2,0,0]=3 1615 B11R1.172 CC(=O)CCSc1ccsn1 62a_100009818082_100000053229 [0,0,0,0,0,1|2,0,0]=3 1616 B11R1.172 CC(=O)CCSc1cn[nH]c1 62a_100000053229_100000238712 [0,0,0,0,0,1|3,0,0]=4 1617 B11R1.172 CC(=O)CCSc1cn[nH]c1 62a_100000238712_100000053229 [0,0,0,0,0,1|3,0,0]=4 1618 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [0,0,0,0,0,1|1,0,0]=2 1619 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [0,0,0,0,0,1|1,0,0]=2 1620 B11R1.172 CC(=O)CCSc1cncs1 62a_100000053229_100011934649 [0,0,0,0,0,1|1,1,0]=3 1621 B11R1.172 CC(=O)CCSc1cncs1 62a_100011934649_100000053229 [0,0,0,0,0,1|1,1,0]=3 1622 B11R1.172 CC(=O)CCSc1cnoc1 62a_100000053229_100009815712 [0,0,0,0,0,1|3,0,0]=4 1623 B11R1.172 CC(=O)CCSc1cnoc1 62a_100009815712_100000053229 [0,0,0,0,0,1|3,0,0]=4 1624 B11R1.172 CC(=O)CCSc1cnsc1 62a_100000053229_100009815736 [0,0,0,0,0,1|3,0,0]=4 1625 B11R1.172 CC(=O)CCSc1cnsc1 62a_100009815736_100000053229 [0,0,0,0,0,1|3,0,0]=4 1626 B11R1.172 CC(=O)CCSc1cscn1 62a_100000053229_100000751502 [0,0,0,0,0,1|2,0,0]=3 1627 B11R1.172 CC(=O)CCSc1cscn1 62a_100000751502_100000053229 [0,0,0,0,0,1|2,0,0]=3 1628 B11R1.172 CC(=O)CCSc1nc[nH]n1 62a_100000053229_100000761765 [0,0,0,0,0,1|3,0,0]=4 1629 B11R1.172 CC(=O)CCSc1nc[nH]n1 62a_100000761765_100000053229 [0,0,0,0,0,1|3,0,0]=4 1630 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100000053229_100025796157 [0,0,0,0,0,1|2,0,0]=3 1631 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100025796157_100000053229 [0,0,0,0,0,1|2,0,0]=3 1632 B11R1.172 CC(=O)CCSc1ncco1 62a_100000053229_100011787736 [0,0,0,0,0,1|1,0,0]=2 1633 B11R1.172 CC(=O)CCSc1ncco1 62a_100011787736_100000053229 [0,0,0,0,0,1|1,0,0]=2 1634 B11R1.172 CC(=O)CCSc1nccs1 62a_100000053229_100000211983 [0,0,0,0,0,1|1,1,0]=3 1635 B11R1.172 CC(=O)CCSc1nccs1 62a_100000211983_100000053229 [0,0,0,0,0,1|1,1,0]=3 1636 B11R1.172 CC(=O)CCSc1ncns1 62a_100000053229_100000693119 [0,0,0,0,0,1|2,1,0]=4 1637 B11R1.172 CC(=O)CCSc1ncns1 62a_100000693119_100000053229 [0,0,0,0,0,1|2,1,0]=4 1638 B11R1.172 CC(=O)CCSc1nncs1 62a_100000053229_100000739804 [0,0,0,0,0,1|2,1,0]=4 1639 B11R1.172 CC(=O)CCSc1nncs1 62a_100000739804_100000053229 [0,0,0,0,0,1|2,1,0]=4 1640 B11R1.172 CC(=O)COCc1c[nH]cn1 34a_100000211253_100000707719 [0,0,0,0,0,1|2,0,0]=3 1641 B11R1.172 CC(=O)COCc1ccn[nH]1 34a_100000211253_100000728653 [0,0,0,0,0,1|2,0,0]=3 1642 B11R1.172 CC(=O)COCc1ccon1 34a_100000211253_100000234950 [0,0,0,0,0,1|2,0,0]=3 1643 B11R1.172 CC(=O)COCc1ccsc1 34a_100000211253_100011261437 [0,0,0,0,0,1|2,0,0]=3 1644 B11R1.172 CC(=O)COCc1cncs1 34a_100000211253_100015185245 [0,0,0,0,0,1|1,1,0]=3 1645 B11R1.172 CC(=O)COCc1cscn1 34a_100000211253_100000205941 [0,0,0,0,0,1|2,0,0]=3 1646 B11R1.172 CC(=O)COCc1ncc[nH]1 34a_100000211253_100016991755 [0,0,0,0,0,1|2,0,0]=3 1647 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [0,0,0,0,0,1|1,0,0]=2 1648 B11R1.172 CC(=O)COCc1nccs1 34a_100000211253_100015184050 [0,0,0,0,0,1|1,1,0]=3 1649 B11R1.172 CC(=O)COCc1ncon1 34a_100000211253_100000233494 [0,0,0,0,0,1|3,0,0]=4 1650 B11R1.172 CC(=O)COCn1cncn1 34a_100000211253_200020645497 [0,0,0,0,0,1|3,0,0]=4 1651 B11R1.172 CC(=O)NCCN1CC=CC1 269982a_100015195280_100000189650 [0,0,0,0,0,1|2,0,1]=4 1652 B11R1.172 CC(=O)NCCc1c[nH]cn1 11a_100000755092_100015343762 [0,0,0,0,0,1|2,0,0]=3 1653 B11R1.172 CC(=O)NCCc1c[nH]cn1 527a_100000755092_100103153847 [0,0,0,0,0,1|2,0,0]=3 1654 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,0,0,0,0,1|0,0,0]=1 1655 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,0,0,0,0,1|0,0,0]=1 1656 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,0,0,0,0,1|0,0,0]=1 1657 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,0,0,0,0,1|0,0,0]=1 1658 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,0,0,0,0,1|0,1,0]=2 1659 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,0,0,0,0,1|0,1,0]=2 1660 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,0,0,0,0,1|0,1,0]=2 1661 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,0,0,0,0,1|0,1,0]=2 1662 B11R1.172 CC(=O)NCCc1ccsc1 11a_100000692642_100015343762 [0,0,0,0,0,1|2,0,0]=3 1663 B11R1.172 CC(=O)NCCc1ccsc1 1626a_100000692642_100015343762 [0,0,0,0,0,1|2,0,0]=3 1664 B11R1.172 CC(=O)NCCc1ccsc1 240690a_100000692642_100015343762 [0,0,0,0,0,1|2,0,0]=3 1665 B11R1.172 CC(=O)NCCc1ccsc1 527a_100000692642_100103153847 [0,0,0,0,0,1|2,0,0]=3 1666 B11R1.172 CC(=O)NCCc1cn[nH]c1 240690a_100000732747_100015343762 [0,0,0,0,0,1|3,0,0]=4 1667 B11R1.172 CC(=O)NCCc1cn[nH]c1 527a_100000732747_100103153847 [0,0,0,0,0,1|3,0,0]=4 1668 B11R1.172 CC(=O)NCCc1cncs1 11a_100016991637_100015343762 [0,0,0,0,0,1|1,1,0]=3 1669 B11R1.172 CC(=O)NCCc1cncs1 1626a_100016991637_100015343762 [0,0,0,0,0,1|1,1,0]=3 1670 B11R1.172 CC(=O)NCCc1cncs1 240690a_100016991637_100015343762 [0,0,0,0,0,1|1,1,0]=3 1671 B11R1.172 CC(=O)NCCc1cncs1 527a_100016991637_100103153847 [0,0,0,0,0,1|1,1,0]=3 1672 B11R1.172 CC(=O)NCCc1ncc[nH]1 11a_100000754300_100015343762 [0,0,0,0,0,1|2,0,0]=3 1673 B11R1.172 CC(=O)NCCc1ncc[nH]1 240690a_100000754300_100015343762 [0,0,0,0,0,1|2,0,0]=3 1674 B11R1.172 CC(=O)NCCc1ncc[nH]1 527a_100000754300_100103153847 [0,0,0,0,0,1|2,0,0]=3 1675 B11R1.172 CC(=O)NCCc1nccs1 11a_100015186391_100015343762 [0,0,0,0,0,1|1,1,0]=3 1676 B11R1.172 CC(=O)NCCc1nccs1 1626a_100015186391_100015343762 [0,0,0,0,0,1|1,1,0]=3 1677 B11R1.172 CC(=O)NCCc1nccs1 240690a_100015186391_100015343762 [0,0,0,0,0,1|1,1,0]=3 1678 B11R1.172 CC(=O)NCCc1nccs1 527a_100015186391_100103153847 [0,0,0,0,0,1|1,1,0]=3 1679 B11R1.172 CC(=O)NCCn1cccc1 11a_100011368172_100015343762 [0,0,0,0,0,1|2,0,0]=3 1680 B11R1.172 CC(=O)NCCn1cccc1 240690a_100011368172_100015343762 [0,0,0,0,0,1|2,0,0]=3 1681 B11R1.172 CC(=O)NCCn1cccc1 527a_100011368172_100103153847 [0,0,0,0,0,1|2,0,0]=3 1682 B11R1.172 CC(=O)NCCn1cccn1 11a_100011200920_100015343762 [0,0,0,0,0,1|2,0,0]=3 1683 B11R1.172 CC(=O)NCCn1cccn1 240690a_100011200920_100015343762 [0,0,0,0,0,1|2,0,0]=3 1684 B11R1.172 CC(=O)NCCn1cccn1 527a_100011200920_100103153847 [0,0,0,0,0,1|2,0,0]=3 1685 B11R1.172 CC(=O)NCCn1ccnc1 11a_100000230061_100015343762 [0,0,0,0,0,1|3,0,0]=4 1686 B11R1.172 CC(=O)NCCn1ccnc1 240690a_100000230061_100015343762 [0,0,0,0,0,1|3,0,0]=4 1687 B11R1.172 CC(=O)NCCn1ccnc1 527a_100000230061_100103153847 [0,0,0,0,0,1|3,0,0]=4 1688 B11R1.172 CC(=O)NCCn1cncn1 11a_200000738561_100015343762 [0,0,0,0,0,1|3,0,0]=4 1689 B11R1.172 CC(=O)NCCn1cncn1 240690a_200000738561_100015343762 [0,0,0,0,0,1|3,0,0]=4 1690 B11R1.172 CC(=O)NN=Cc1ccc[nH]1 4a_100000189765_100000211237 [0,0,0,0,0,1|2,0,1]=4 1691 B11R1.172 CC(=O)NN=Cc1ccco1 4a_100000189765_100000186105 [0,0,0,0,0,1|1,0,1]=3 1692 B11R1.172 CC(=O)NN=Cc1cccs1 4a_100000189765_100000209959 [0,0,0,0,0,1|1,1,1]=4 1693 B11R1.172 CC(=O)NN=Cc1cnco1 4a_100000189765_100000064291 [0,0,0,0,0,1|2,0,1]=4 1694 B11R1.172 CC(=O)NN=Cc1ncco1 4a_100000189765_100000064290 [0,0,0,0,0,1|2,0,1]=4 1695 B11R1.172 CC(=O)OCCN1CC=CC1 269982a_100015195280_100009814007 [0,0,0,0,0,1|2,0,1]=4 1696 B11R1.172 CC(=O)OCOc1ccsc1 34a_100000106738_100009813279 [0,0,0,0,0,1|3,0,0]=4 1697 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000076356_100000756875 [0,0,0,0,0,1|3,0,0]=4 1698 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000756875_100000076356 [0,0,0,0,0,1|3,0,0]=4 1699 B11R1.172 CC(=O)OCSc1cc[nH]n1 62a_100000062575_100000076356 [0,0,0,0,0,1|3,0,0]=4 1700 B11R1.172 CC(=O)OCSc1cc[nH]n1 62a_100000076356_100000062575 [0,0,0,0,0,1|3,0,0]=4 1701 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,0,0,0,0,1|1,0,0]=2 1702 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,0,0,0,0,1|1,0,0]=2 1703 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [0,0,0,0,0,1|1,1,0]=3 1704 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [0,0,0,0,0,1|1,1,0]=3 1705 B11R1.172 CC(=O)OCSc1ccoc1 62a_100000076356_100011215275 [0,0,0,0,0,1|3,0,0]=4 1706 B11R1.172 CC(=O)OCSc1ccoc1 62a_100011215275_100000076356 [0,0,0,0,0,1|3,0,0]=4 1707 B11R1.172 CC(=O)OCSc1ccon1 62a_100000076356_100009818083 [0,0,0,0,0,1|3,0,0]=4 1708 B11R1.172 CC(=O)OCSc1ccon1 62a_100009818083_100000076356 [0,0,0,0,0,1|3,0,0]=4 1709 B11R1.172 CC(=O)OCSc1ccsc1 62a_100000076356_100000738268 [0,0,0,0,0,1|3,0,0]=4 1710 B11R1.172 CC(=O)OCSc1ccsc1 62a_100000738268_100000076356 [0,0,0,0,0,1|3,0,0]=4 1711 B11R1.172 CC(=O)OCSc1ccsn1 62a_100000076356_100009818082 [0,0,0,0,0,1|3,0,0]=4 1712 B11R1.172 CC(=O)OCSc1ccsn1 62a_100009818082_100000076356 [0,0,0,0,0,1|3,0,0]=4 1713 B11R1.172 CC(=O)OCSc1cnco1 62a_100000076356_100020591547 [0,0,0,0,0,1|2,0,0]=3 1714 B11R1.172 CC(=O)OCSc1cnco1 62a_100020591547_100000076356 [0,0,0,0,0,1|2,0,0]=3 1715 B11R1.172 CC(=O)OCSc1cncs1 62a_100000076356_100011934649 [0,0,0,0,0,1|2,1,0]=4 1716 B11R1.172 CC(=O)OCSc1cncs1 62a_100011934649_100000076356 [0,0,0,0,0,1|2,1,0]=4 1717 B11R1.172 CC(=O)OCSc1cscn1 62a_100000076356_100000751502 [0,0,0,0,0,1|3,0,0]=4 1718 B11R1.172 CC(=O)OCSc1cscn1 62a_100000751502_100000076356 [0,0,0,0,0,1|3,0,0]=4 1719 B11R1.172 CC(=O)OCSc1ncc[nH]1 62a_100000076356_100025796157 [0,0,0,0,0,1|3,0,0]=4 1720 B11R1.172 CC(=O)OCSc1ncc[nH]1 62a_100025796157_100000076356 [0,0,0,0,0,1|3,0,0]=4 1721 B11R1.172 CC(=O)OCSc1ncco1 62a_100000076356_100011787736 [0,0,0,0,0,1|2,0,0]=3 1722 B11R1.172 CC(=O)OCSc1ncco1 62a_100011787736_100000076356 [0,0,0,0,0,1|2,0,0]=3 1723 B11R1.172 CC(=O)OCSc1nccs1 62a_100000076356_100000211983 [0,0,0,0,0,1|2,1,0]=4 1724 B11R1.172 CC(=O)OCSc1nccs1 62a_100000211983_100000076356 [0,0,0,0,0,1|2,1,0]=4 1725 B11R1.172 CC(Br)COCc1ncco1 34a_100012180447_103436540062 [0,0,0,0,0,1|2,0,1]=4 1726 B11R1.172 CC(C)CC=Cc1ccco1 271570a_100016259101_100009814098 [0,0,0,0,0,1|1,0,2]=4 1727 B11R1.172 CC(C)CCSc1ccco1 62a_100000210312_100009814098 [0,0,0,0,0,1|1,0,1]=3 1728 B11R1.172 CC(C)CCSc1ccco1 62a_100009814098_100000210312 [0,0,0,0,0,1|1,0,1]=3 1729 B11R1.172 CC(C)CCSc1cccs1 62a_100000210312_100011215356 [0,0,0,0,0,1|1,1,1]=4 1730 B11R1.172 CC(C)CCSc1cccs1 62a_100011215356_100000210312 [0,0,0,0,0,1|1,1,1]=4 1731 B11R1.172 CC(C)CCSc1cnco1 62a_100000210312_100020591547 [0,0,0,0,0,1|2,0,1]=4 1732 B11R1.172 CC(C)CCSc1cnco1 62a_100020591547_100000210312 [0,0,0,0,0,1|2,0,1]=4 1733 B11R1.172 CC(C)CCSc1ncco1 62a_100000210312_100011787736 [0,0,0,0,0,1|2,0,1]=4 1734 B11R1.172 CC(C)CCSc1ncco1 62a_100011787736_100000210312 [0,0,0,0,0,1|2,0,1]=4 1735 B11R1.172 CC(C)CNCc1ccco1 207a_100000210953_100000186105 [0,0,0,0,0,1|1,0,1]=3 1736 B11R1.172 CC(C)CNCc1ccco1 2230a_100000185738_100000210760 [0,0,0,0,0,1|1,0,1]=3 1737 B11R1.172 CC(C)CNCc1ccco1 270004a_100000185738_100000210432 [0,0,0,0,0,1|1,0,1]=3 1738 B11R1.172 CC(C)CNCc1ccco1 270004a_100000210953_100000186105 [0,0,0,0,0,1|1,0,1]=3 1739 B11R1.172 CC(C)CNCc1ccco1 34a_100000185738_100000210624 [0,0,0,0,0,1|1,0,1]=3 1740 B11R1.172 CC(C)CNCc1cccs1 207a_100000210953_100000209959 [0,0,0,0,0,1|1,1,1]=4 1741 B11R1.172 CC(C)CNCc1cccs1 2230a_100000211653_100000210760 [0,0,0,0,0,1|1,1,1]=4 1742 B11R1.172 CC(C)CNCc1cccs1 270004a_100000210953_100000209959 [0,0,0,0,0,1|1,1,1]=4 1743 B11R1.172 CC(C)CNCc1cccs1 270004a_100000211653_100000210432 [0,0,0,0,0,1|1,1,1]=4 1744 B11R1.172 CC(C)CNCc1cnco1 270004a_100000210953_100000064291 [0,0,0,0,0,1|2,0,1]=4 1745 B11R1.172 CC(C)CNCc1cnco1 270004a_100020634212_100000210432 [0,0,0,0,0,1|2,0,1]=4 1746 B11R1.172 CC(C)CNCc1ncco1 2230a_100000210953_103436540062 [0,0,0,0,0,1|2,0,1]=4 1747 B11R1.172 CC(C)CNCc1ncco1 2230a_100016994969_100000210760 [0,0,0,0,0,1|2,0,1]=4 1748 B11R1.172 CC(C)CNCc1ncco1 270004a_100000210953_100000064290 [0,0,0,0,0,1|2,0,1]=4 1749 B11R1.172 CC(C)CNCc1ncco1 34a_100000210953_103436540062 [0,0,0,0,0,1|2,0,1]=4 1750 B11R1.172 CC(C)COCc1ccco1 34a_100000210059_100000210624 [0,0,0,0,0,1|1,0,1]=3 1751 B11R1.172 CC(C)COCc1cccs1 34a_100000211240_100000210624 [0,0,0,0,0,1|1,1,1]=4 1752 B11R1.172 CC(C)COCc1ccno1 34a_100000740478_100000210624 [0,0,0,0,0,1|2,0,1]=4 1753 B11R1.172 CC(C)COCc1ncco1 34a_100000062594_100000210624 [0,0,0,0,0,1|2,0,1]=4 1754 B11R1.172 CC(C)COCc1ncco1 34a_100000210257_103436540062 [0,0,0,0,0,1|2,0,1]=4 1755 B11R1.172 CC(C)CSCc1ncco1 62a_100000210624_103436540062 [0,0,0,0,0,1|2,0,1]=4 1756 B11R1.172 CC(C)CSCc1ncco1 62a_103436540062_100000210760 [0,0,0,0,0,1|2,0,1]=4 1757 B11R1.172 CC(C)NCCc1ccco1 2230a_100000694680_100000210206 [0,0,0,0,0,1|1,0,1]=3 1758 B11R1.172 CC(C)NCCc1ccco1 34a_100000694680_100000210206 [0,0,0,0,0,1|1,0,1]=3 1759 B11R1.172 CC(C)NCCc1cccs1 2230a_100000203755_100000210206 [0,0,0,0,0,1|1,1,1]=4 1760 B11R1.172 CC(C)NCCc1cccs1 2230a_100138425928_100000748579 [0,0,0,0,0,1|1,1,1]=4 1761 B11R1.172 CC(C)NCCc1cccs1 34a_100000203755_100000210206 [0,0,0,0,0,1|1,1,1]=4 1762 B11R1.172 CC(C)NCCc1cccs1 34a_100138425928_100000748579 [0,0,0,0,0,1|1,1,1]=4 1763 B11R1.172 CC(C)OCCc1cccs1 34a_100000212225_100000748579 [0,0,0,0,0,1|1,1,1]=4 1764 B11R1.172 CC(C)OCCc1cccs1 34a_100011216825_100000210206 [0,0,0,0,0,1|1,1,1]=4 1765 B11R1.172 CC(C)OCCc1cccs1 7a_100011216825_100000210206 [0,0,0,0,0,1|1,1,1]=4 1766 B11R1.172 CC(C)OCSc1ccco1 62a_100000709892_100009814098 [0,0,0,0,0,1|2,0,1]=4 1767 B11R1.172 CC(C)OCSc1ccco1 62a_100009814098_100000709892 [0,0,0,0,0,1|2,0,1]=4 1768 B11R1.172 CC(C)SCCc1cccs1 62a_100000210206_100000748579 [0,0,0,0,0,1|1,1,1]=4 1769 B11R1.172 CC(C)SCCc1cccs1 62a_100000748579_100000210206 [0,0,0,0,0,1|1,1,1]=4 1770 B11R1.172 CC(F)COCc1ncco1 34a_100015925927_103436540062 [0,0,0,0,0,1|2,0,1]=4 1771 B11R1.172 CC(O)CCSc1ccco1 62a_100009814098_100012276601 [0,0,0,0,0,1|0,0,2]=3 1772 B11R1.172 CC(O)CCSc1ccco1 62a_100012276601_100009814098 [0,0,0,0,0,1|0,0,2]=3 1773 B11R1.172 CC(O)CCSc1cccs1 62a_100011215356_100012276601 [0,0,0,0,0,1|0,1,2]=4 1774 B11R1.172 CC(O)CCSc1cccs1 62a_100012276601_100011215356 [0,0,0,0,0,1|0,1,2]=4 1775 B11R1.172 CC(O)CCSc1cnco1 62a_100012276601_100020591547 [0,0,0,0,0,1|1,0,2]=4 1776 B11R1.172 CC(O)CCSc1cnco1 62a_100020591547_100012276601 [0,0,0,0,0,1|1,0,2]=4 1777 B11R1.172 CC(O)CCSc1ncco1 62a_100011787736_100012276601 [0,0,0,0,0,1|1,0,2]=4 1778 B11R1.172 CC(O)CCSc1ncco1 62a_100012276601_100011787736 [0,0,0,0,0,1|1,0,2]=4 1779 B11R1.172 CC(O)CNCc1ccco1 207a_100000210904_100000186105 [0,0,0,0,0,1|0,0,2]=3 1780 B11R1.172 CC(O)CNCc1ccco1 2230a_100000185738_100011218427 [0,0,0,0,0,1|0,0,2]=3 1781 B11R1.172 CC(O)CNCc1ccco1 270004a_100000210904_100000186105 [0,0,0,0,0,1|0,0,2]=3 1782 B11R1.172 CC(O)CNCc1ccco1 34a_100000185738_100011218427 [0,0,0,0,0,1|0,0,2]=3 1783 B11R1.172 CC(O)CNCc1cccs1 207a_100000210904_100000209959 [0,0,0,0,0,1|0,1,2]=4 1784 B11R1.172 CC(O)CNCc1cccs1 2230a_100000211653_100011218427 [0,0,0,0,0,1|0,1,2]=4 1785 B11R1.172 CC(O)CNCc1cccs1 270004a_100000210904_100000209959 [0,0,0,0,0,1|0,1,2]=4 1786 B11R1.172 CC(O)CNCc1cnco1 270004a_100000210904_100000064291 [0,0,0,0,0,1|1,0,2]=4 1787 B11R1.172 CC(O)CNCc1ncco1 2230a_100000210904_103436540062 [0,0,0,0,0,1|1,0,2]=4 1788 B11R1.172 CC(O)CNCc1ncco1 2230a_100016994969_100011218427 [0,0,0,0,0,1|1,0,2]=4 1789 B11R1.172 CC(O)CNCc1ncco1 270004a_100000210904_100000064290 [0,0,0,0,0,1|1,0,2]=4 1790 B11R1.172 CC(O)CNCc1ncco1 34a_100000210904_103436540062 [0,0,0,0,0,1|1,0,2]=4 1791 B11R1.172 CC(O)COCc1ccco1 34a_100000210059_100011218427 [0,0,0,0,0,1|0,0,2]=3 1792 B11R1.172 CC(O)COCc1cccs1 34a_100000211240_100011218427 [0,0,0,0,0,1|0,1,2]=4 1793 B11R1.172 CC(O)COCc1ccno1 34a_100000740478_100011218427 [0,0,0,0,0,1|1,0,2]=4 1794 B11R1.172 CC(O)COCc1ncco1 34a_100000062594_100011218427 [0,0,0,0,0,1|1,0,2]=4 1795 B11R1.172 CC(O)CSCc1ncco1 62a_100011218427_103436540062 [0,0,0,0,0,1|1,0,2]=4 1796 B11R1.172 CC(O)CSCc1ncco1 62a_103436540062_100011218427 [0,0,0,0,0,1|1,0,2]=4 1797 B11R1.172 CN(C)CC=Cc1ccco1 270004a_100102631434_100000185671 [0,0,0,0,0,1|2,0,1]=4 1798 B11R1.172 CN(C)CCCc1cccs1 2230a_100102631434_100010992444 [0,0,0,0,0,1|2,1,0]=4 1799 B11R1.172 CN(C)CCCc1cccs1 269982a_100102631434_100010992444 [0,0,0,0,0,1|2,1,0]=4 1800 B11R1.172 CN(C)CCSc1ccco1 62a_100009814098_100000755713 [0,0,0,0,0,1|2,0,0]=3 1801 B11R1.172 CN(C)CCSc1cccs1 62a_100011215356_100000755713 [0,0,0,0,0,1|2,1,0]=4 1802 B11R1.172 CN(C)CCSc1cnco1 62a_100020591547_100000755713 [0,0,0,0,0,1|3,0,0]=4 1803 B11R1.172 CN(C)CCSc1ncco1 62a_100011787736_100000755713 [0,0,0,0,0,1|3,0,0]=4 1804 B11R1.172 C[C@@H](Cl)COCc1ncco1 34a_100016084084_103436540062 [0,0,0,0,0,1|2,0,1]=4 1805 B11R1.172 C[C@@H](N)COCc1ncco1 34a_100000737577_103436540062 [0,0,0,0,0,1|2,0,1]=4 1806 B11R1.172 C[C@@H](O)CNCc1ccco1 2230a_100000185738_100009817552 [0,0,0,0,0,1|0,0,2]=3 1807 B11R1.172 C[C@@H](O)CNCc1ccco1 34a_100000185738_100009817552 [0,0,0,0,0,1|0,0,2]=3 1808 B11R1.172 C[C@@H](O)CNCc1cccs1 2230a_100000211653_100009817552 [0,0,0,0,0,1|0,1,2]=4 1809 B11R1.172 C[C@@H](O)CNCc1ncco1 2230a_100016994969_100009817552 [0,0,0,0,0,1|1,0,2]=4 1810 B11R1.172 C[C@@H](O)COCc1ccco1 34a_100000210059_100009817552 [0,0,0,0,0,1|0,0,2]=3 1811 B11R1.172 C[C@@H](O)COCc1cccs1 34a_100000211240_100009817552 [0,0,0,0,0,1|0,1,2]=4 1812 B11R1.172 C[C@@H](O)COCc1ccno1 34a_100000740478_100009817552 [0,0,0,0,0,1|1,0,2]=4 1813 B11R1.172 C[C@@H](O)COCc1ncco1 34a_100000062594_100009817552 [0,0,0,0,0,1|1,0,2]=4 1814 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_100009817552_103436540062 [0,0,0,0,0,1|1,0,2]=4 1815 B11R1.172 C[C@@H](O)CSCc1ncco1 62a_103436540062_100009817552 [0,0,0,0,0,1|1,0,2]=4 1816 B11R1.172 FC(F)CNCc1ccco1 207a_100000765723_100000186105 [0,0,0,0,0,1|2,0,1]=4 1817 B11R1.172 FC(F)CNCc1ccco1 2230a_100000185738_100011934356 [0,0,0,0,0,1|2,0,1]=4 1818 B11R1.172 FC(F)CNCc1ccco1 270004a_100000765723_100000186105 [0,0,0,0,0,1|2,0,1]=4 1819 B11R1.172 FC(F)CNCc1ccco1 34a_100000185738_100011934356 [0,0,0,0,0,1|2,0,1]=4 1820 B11R1.172 FC(F)COCc1ccco1 34a_100000210059_100011934356 [0,0,0,0,0,1|2,0,1]=4 1821 B11R1.172 NC(=O)CCOc1ccsc1 34a_100000106738_100000731001 [0,0,0,0,0,1|3,0,0]=4 1822 B11R1.172 NC(=O)CCOc1ccsc1 7a_100000106738_100000744528 [0,0,0,0,0,1|3,0,0]=4 1823 B11R1.172 NC(=O)CCSc1c[nH]cn1 62a_100000744528_100000756875 [0,0,0,0,0,1|3,0,0]=4 1824 B11R1.172 NC(=O)CCSc1c[nH]cn1 62a_100000756875_100000744528 [0,0,0,0,0,1|3,0,0]=4 1825 B11R1.172 NC(=O)CCSc1cc[nH]n1 62a_100000062575_100000744528 [0,0,0,0,0,1|3,0,0]=4 1826 B11R1.172 NC(=O)CCSc1cc[nH]n1 62a_100000744528_100000062575 [0,0,0,0,0,1|3,0,0]=4 1827 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [0,0,0,0,0,1|1,0,0]=2 1828 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [0,0,0,0,0,1|1,0,0]=2 1829 B11R1.172 NC(=O)CCSc1cccs1 62a_100000744528_100011215356 [0,0,0,0,0,1|1,1,0]=3 1830 B11R1.172 NC(=O)CCSc1cccs1 62a_100011215356_100000744528 [0,0,0,0,0,1|1,1,0]=3 1831 B11R1.172 NC(=O)CCSc1ccoc1 62a_100000744528_100011215275 [0,0,0,0,0,1|3,0,0]=4 1832 B11R1.172 NC(=O)CCSc1ccoc1 62a_100011215275_100000744528 [0,0,0,0,0,1|3,0,0]=4 1833 B11R1.172 NC(=O)CCSc1ccon1 62a_100000744528_100009818083 [0,0,0,0,0,1|3,0,0]=4 1834 B11R1.172 NC(=O)CCSc1ccon1 62a_100009818083_100000744528 [0,0,0,0,0,1|3,0,0]=4 1835 B11R1.172 NC(=O)CCSc1ccsc1 62a_100000738268_100000744528 [0,0,0,0,0,1|3,0,0]=4 1836 B11R1.172 NC(=O)CCSc1ccsc1 62a_100000744528_100000738268 [0,0,0,0,0,1|3,0,0]=4 1837 B11R1.172 NC(=O)CCSc1ccsn1 62a_100000744528_100009818082 [0,0,0,0,0,1|3,0,0]=4 1838 B11R1.172 NC(=O)CCSc1ccsn1 62a_100009818082_100000744528 [0,0,0,0,0,1|3,0,0]=4 1839 B11R1.172 NC(=O)CCSc1cnco1 62a_100000744528_100020591547 [0,0,0,0,0,1|2,0,0]=3 1840 B11R1.172 NC(=O)CCSc1cnco1 62a_100020591547_100000744528 [0,0,0,0,0,1|2,0,0]=3 1841 B11R1.172 NC(=O)CCSc1cncs1 62a_100000744528_100011934649 [0,0,0,0,0,1|2,1,0]=4 1842 B11R1.172 NC(=O)CCSc1cncs1 62a_100011934649_100000744528 [0,0,0,0,0,1|2,1,0]=4 1843 B11R1.172 NC(=O)CCSc1cscn1 62a_100000744528_100000751502 [0,0,0,0,0,1|3,0,0]=4 1844 B11R1.172 NC(=O)CCSc1cscn1 62a_100000751502_100000744528 [0,0,0,0,0,1|3,0,0]=4 1845 B11R1.172 NC(=O)CCSc1ncc[nH]1 62a_100000744528_100025796157 [0,0,0,0,0,1|3,0,0]=4 1846 B11R1.172 NC(=O)CCSc1ncc[nH]1 62a_100025796157_100000744528 [0,0,0,0,0,1|3,0,0]=4 1847 B11R1.172 NC(=O)CCSc1ncco1 62a_100000744528_100011787736 [0,0,0,0,0,1|2,0,0]=3 1848 B11R1.172 NC(=O)CCSc1ncco1 62a_100011787736_100000744528 [0,0,0,0,0,1|2,0,0]=3 1849 B11R1.172 NC(=O)CCSc1nccs1 62a_100000211983_100000744528 [0,0,0,0,0,1|2,1,0]=4 1850 B11R1.172 NC(=O)CCSc1nccs1 62a_100000744528_100000211983 [0,0,0,0,0,1|2,1,0]=4 1851 B11R1.172 NC(=O)CNCc1c[nH]cn1 2230a_100000711301_100000707719 [0,0,0,0,0,1|3,0,0]=4 1852 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [0,0,0,0,0,1|1,0,0]=2 1853 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [0,0,0,0,0,1|1,0,0]=2 1854 B11R1.172 NC(=O)CNCc1cccs1 2230a_100000211653_100000747473 [0,0,0,0,0,1|1,1,0]=3 1855 B11R1.172 NC(=O)CNCc1ccn[nH]1 2230a_100000711301_100000728653 [0,0,0,0,0,1|3,0,0]=4 1856 B11R1.172 NC(=O)CNCc1ccoc1 2230a_100015206860_100000747473 [0,0,0,0,0,1|3,0,0]=4 1857 B11R1.172 NC(=O)CNCc1ccoc1 34a_100015206860_100000187820 [0,0,0,0,0,1|3,0,0]=4 1858 B11R1.172 NC(=O)CNCc1ccon1 2230a_100000711301_100000234950 [0,0,0,0,0,1|3,0,0]=4 1859 B11R1.172 NC(=O)CNCc1ccsc1 2230a_100000186416_100000747473 [0,0,0,0,0,1|3,0,0]=4 1860 B11R1.172 NC(=O)CNCc1ccsc1 2230a_100000711301_100011261437 [0,0,0,0,0,1|3,0,0]=4 1861 B11R1.172 NC(=O)CNCc1ccsc1 34a_100000186416_100000187820 [0,0,0,0,0,1|3,0,0]=4 1862 B11R1.172 NC(=O)CNCc1cncs1 2230a_100000711301_100015185245 [0,0,0,0,0,1|2,1,0]=4 1863 B11R1.172 NC(=O)CNCc1cncs1 2230a_100016987365_100000747473 [0,0,0,0,0,1|2,1,0]=4 1864 B11R1.172 NC(=O)CNCc1cscn1 2230a_100000711301_100000205941 [0,0,0,0,0,1|3,0,0]=4 1865 B11R1.172 NC(=O)CNCc1cscn1 2230a_100015185402_100000747473 [0,0,0,0,0,1|3,0,0]=4 1866 B11R1.172 NC(=O)CNCc1ncc[nH]1 2230a_100000711301_100016991755 [0,0,0,0,0,1|3,0,0]=4 1867 B11R1.172 NC(=O)CNCc1ncco1 2230a_100000711301_103436540062 [0,0,0,0,0,1|2,0,0]=3 1868 B11R1.172 NC(=O)CNCc1ncco1 2230a_100016994969_100000747473 [0,0,0,0,0,1|2,0,0]=3 1869 B11R1.172 NC(=O)CNCc1nccs1 2230a_100000711301_100015184050 [0,0,0,0,0,1|2,1,0]=4 1870 B11R1.172 NC(=O)CNCc1nccs1 2230a_100000740555_100000747473 [0,0,0,0,0,1|2,1,0]=4 1871 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,0,0,0,0,1|1,0,0]=2 1872 B11R1.172 NC(=O)COCc1cccs1 34a_100000211240_100000187820 [0,0,0,0,0,1|1,1,0]=3 1873 B11R1.172 NC(=O)COCc1ccno1 34a_100000740478_100000187820 [0,0,0,0,0,1|2,0,0]=3 1874 B11R1.172 NC(=O)COCc1ccoc1 34a_100011215357_100000187820 [0,0,0,0,0,1|3,0,0]=4 1875 B11R1.172 NC(=O)COCc1ccsc1 34a_100011215551_100000187820 [0,0,0,0,0,1|3,0,0]=4 1876 B11R1.172 NC(=O)COCc1ncco1 34a_100000062594_100000187820 [0,0,0,0,0,1|2,0,0]=3 1877 B11R1.172 NC(=O)COCn1cccn1 34a_100000731028_100000187820 [0,0,0,0,0,1|3,0,0]=4 1878 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747473 [0,0,0,0,0,1|3,0,0]=4 1879 B11R1.172 NC(=O)CSCc1c[nH]cn1 62a_100000747473_100000707719 [0,0,0,0,0,1|3,0,0]=4 1880 B11R1.172 NC(=O)CSCc1ccn[nH]1 62a_100000728653_100000747473 [0,0,0,0,0,1|3,0,0]=4 1881 B11R1.172 NC(=O)CSCc1ccn[nH]1 62a_100000747473_100000728653 [0,0,0,0,0,1|3,0,0]=4 1882 B11R1.172 NC(=O)CSCc1ccon1 62a_100000234950_100000747473 [0,0,0,0,0,1|3,0,0]=4 1883 B11R1.172 NC(=O)CSCc1ccon1 62a_100000747473_100000234950 [0,0,0,0,0,1|3,0,0]=4 1884 B11R1.172 NC(=O)CSCc1ccsc1 62a_100000747473_100011233845 [0,0,0,0,0,1|3,0,0]=4 1885 B11R1.172 NC(=O)CSCc1ccsc1 62a_100011261437_100000747473 [0,0,0,0,0,1|3,0,0]=4 1886 B11R1.172 NC(=O)CSCc1cncs1 62a_100000747473_100015185245 [0,0,0,0,0,1|2,1,0]=4 1887 B11R1.172 NC(=O)CSCc1cncs1 62a_100015185245_100000747473 [0,0,0,0,0,1|2,1,0]=4 1888 B11R1.172 NC(=O)CSCc1cscn1 62a_100000205941_100000747473 [0,0,0,0,0,1|3,0,0]=4 1889 B11R1.172 NC(=O)CSCc1cscn1 62a_100000747473_100000205941 [0,0,0,0,0,1|3,0,0]=4 1890 B11R1.172 NC(=O)CSCc1ncc[nH]1 62a_100000747473_100016991755 [0,0,0,0,0,1|3,0,0]=4 1891 B11R1.172 NC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747473 [0,0,0,0,0,1|3,0,0]=4 1892 B11R1.172 NC(=O)CSCc1ncco1 62a_100000747473_103436540062 [0,0,0,0,0,1|2,0,0]=3 1893 B11R1.172 NC(=O)CSCc1ncco1 62a_103436540062_100000747473 [0,0,0,0,0,1|2,0,0]=3 1894 B11R1.172 NC(=O)CSCc1nccs1 62a_100000747473_100015184050 [0,0,0,0,0,1|2,1,0]=4 1895 B11R1.172 NC(=O)CSCc1nccs1 62a_100015184050_100000747473 [0,0,0,0,0,1|2,1,0]=4 1896 B11R1.172 O=C(O)CNCc1c[nH]cn1 269956a_100016091260_100000707719 [0,0,0,0,0,1|3,0,0]=4 1897 B11R1.172 O=C(O)CNCc1ccn[nH]1 269956a_100016091260_100000728653 [0,0,0,0,0,1|3,0,0]=4 1898 B11R1.172 O=C(O)CNCc1ccon1 269956a_100016091260_100000234950 [0,0,0,0,0,1|3,0,0]=4 1899 B11R1.172 O=C(O)CNCc1ccsc1 269956a_100016091260_100011261437 [0,0,0,0,0,1|3,0,0]=4 1900 B11R1.172 O=C(O)CNCc1cncs1 269956a_100016091260_100015185245 [0,0,0,0,0,1|2,1,0]=4 1901 B11R1.172 O=C(O)CNCc1cscn1 269956a_100016091260_100000205941 [0,0,0,0,0,1|3,0,0]=4 1902 B11R1.172 O=C(O)CNCc1ncc[nH]1 269956a_100016091260_100000753453 [0,0,0,0,0,1|3,0,0]=4 1903 B11R1.172 O=C(O)CNCc1ncco1 269956a_100016091260_103436540062 [0,0,0,0,0,1|2,0,0]=3 1904 B11R1.172 O=C(O)CNCc1nccs1 269956a_100016091260_100015184050 [0,0,0,0,0,1|2,1,0]=4 1905 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [0,0,0,0,0,1|1,0,0]=2 1906 B11R1.172 O=C([O-])CNCc1ccoc1 34a_100015206860_100020667443 [0,0,0,0,0,1|3,0,0]=4 1907 B11R1.172 O=C([O-])CNCc1ccsc1 34a_100000186416_100020667443 [0,0,0,0,0,1|3,0,0]=4 1908 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,0,0,0,0,1|1,0,0]=2 1909 B11R1.172 O=C([O-])COCc1cccs1 34a_100000211240_100020667443 [0,0,0,0,0,1|1,1,0]=3 1910 B11R1.172 O=C([O-])COCc1ccno1 34a_100000740478_100020667443 [0,0,0,0,0,1|2,0,0]=3 1911 B11R1.172 O=C([O-])COCc1ccoc1 34a_100011215357_100020667443 [0,0,0,0,0,1|3,0,0]=4 1912 B11R1.172 O=C([O-])COCc1ccsc1 34a_100011215551_100020667443 [0,0,0,0,0,1|3,0,0]=4 1913 B11R1.172 O=C([O-])COCc1ncco1 34a_100000062594_100020667443 [0,0,0,0,0,1|2,0,0]=3 1914 B11R1.172 O=C([O-])COCn1cccn1 34a_100000731028_100020667443 [0,0,0,0,0,1|3,0,0]=4 1915 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100000707719_100020667443 [0,0,0,0,0,1|3,0,0]=4 1916 B11R1.172 O=C([O-])CSCc1c[nH]cn1 62a_100020667443_100000707719 [0,0,0,0,0,1|3,0,0]=4 1917 B11R1.172 O=C([O-])CSCc1ccn[nH]1 62a_100000728653_100020667443 [0,0,0,0,0,1|3,0,0]=4 1918 B11R1.172 O=C([O-])CSCc1ccn[nH]1 62a_100020667443_100000728653 [0,0,0,0,0,1|3,0,0]=4 1919 B11R1.172 O=C([O-])CSCc1ccon1 62a_100000234950_100020667443 [0,0,0,0,0,1|3,0,0]=4 1920 B11R1.172 O=C([O-])CSCc1ccon1 62a_100020667443_100000234950 [0,0,0,0,0,1|3,0,0]=4 1921 B11R1.172 O=C([O-])CSCc1ccsc1 62a_100011261437_100020667443 [0,0,0,0,0,1|3,0,0]=4 1922 B11R1.172 O=C([O-])CSCc1ccsc1 62a_100020667443_100011233845 [0,0,0,0,0,1|3,0,0]=4 1923 B11R1.172 O=C([O-])CSCc1cncs1 62a_100015185245_100020667443 [0,0,0,0,0,1|2,1,0]=4 1924 B11R1.172 O=C([O-])CSCc1cncs1 62a_100020667443_100015185245 [0,0,0,0,0,1|2,1,0]=4 1925 B11R1.172 O=C([O-])CSCc1cscn1 62a_100000205941_100020667443 [0,0,0,0,0,1|3,0,0]=4 1926 B11R1.172 O=C([O-])CSCc1cscn1 62a_100020667443_100000205941 [0,0,0,0,0,1|3,0,0]=4 1927 B11R1.172 O=C([O-])CSCc1ncc[nH]1 62a_100016991755_100020667443 [0,0,0,0,0,1|3,0,0]=4 1928 B11R1.172 O=C([O-])CSCc1ncc[nH]1 62a_100020667443_100016991755 [0,0,0,0,0,1|3,0,0]=4 1929 B11R1.172 O=C([O-])CSCc1ncco1 62a_100020667443_103436540062 [0,0,0,0,0,1|2,0,0]=3 1930 B11R1.172 O=C([O-])CSCc1ncco1 62a_103436540062_100020667443 [0,0,0,0,0,1|2,0,0]=3 1931 B11R1.172 O=C([O-])CSCc1nccs1 62a_100015184050_100020667443 [0,0,0,0,0,1|2,1,0]=4 1932 B11R1.172 O=C([O-])CSCc1nccs1 62a_100020667443_100015184050 [0,0,0,0,0,1|2,1,0]=4 1933 B11R1.172 O=[N+]([O-])CNCc1ccco1 34a_100000185738_100000761209 [0,0,0,0,0,1|2,0,0]=3 1934 B11R1.172 O=[N+]([O-])COCc1ccco1 34a_100000210059_100000761209 [0,0,0,0,0,1|2,0,0]=3 1935 B11R1.172 O=[N+]([O-])COCc1cccs1 34a_100000211240_100000761209 [0,0,0,0,0,1|2,1,0]=4 1936 B11R1.172 O=[N+]([O-])COCc1ccno1 34a_100000740478_100000761209 [0,0,0,0,0,1|3,0,0]=4 1937 B11R1.172 O=[N+]([O-])COCc1ncco1 34a_100000062594_100000761209 [0,0,0,0,0,1|3,0,0]=4 1938 B11R1.172 O=[N+]([O-])CSCc1ncco1 62a_103436540062_100000761209 [0,0,0,0,0,1|3,0,0]=4 1939 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,0,0,0,0,1|0,1,0]=2 1940 B11R1.172 [13CH3]C(=O)CCCn1cccc1 1458a_100000691410_200025704644 [0,0,0,0,0,1|2,0,0]=3 1941 B11R1.172 [13CH3]C(=O)CCCn1cccn1 1458a_100000742828_200025704644 [0,0,0,0,0,1|2,0,0]=3 1942 B11R1.172 [13CH3]C(=O)CCCn1ccnc1 1458a_100000748695_200025704644 [0,0,0,0,0,1|3,0,0]=4 1943 B11R1.172 [13CH3]C(=O)CCCn1cncn1 1458a_100015186313_200025704644 [0,0,0,0,0,1|3,0,0]=4 1944 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,1,0,0,0|0,0,2]=4 1945 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,1,0,0,0|0,0,2]=4 1946 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,1,0,0,0|0,0,2]=4 1947 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [1,0,1,0,0,0|1,0,1]=4 1948 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [1,0,1,0,0,0|1,0,1]=4 1949 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [1,0,1,0,0,0|0,0,1]=3 1950 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [1,0,1,0,0,0|0,0,1]=3 1951 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [1,0,1,0,0,0|0,0,1]=3 1952 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [1,0,1,0,0,0|1,0,1]=4 1953 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [1,0,1,0,0,0|1,0,1]=4 1954 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [1,0,1,0,0,0|1,0,1]=4 1955 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [1,0,1,0,0,0|0,0,1]=3 1956 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [1,0,1,0,0,0|1,0,1]=4 1957 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [1,0,1,0,0,0|0,1,1]=4 1958 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [1,0,1,0,0,0|0,1,1]=4 1959 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,0,1,0,0,0|1,0,1]=4 1960 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,0,1,0,0,0|1,0,1]=4 1961 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,1,0,0,0|0,0,2]=4 1962 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [1,0,1,0,0,0|1,0,1]=4 1963 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [1,0,1,0,0,0|1,0,1]=4 1964 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [1,0,1,0,0,0|1,0,1]=4 1965 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,0,1,0,0,0|1,0,1]=4 1966 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,0,1,0,0,0|1,0,1]=4 1967 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [2,0,0,0,0,0|0,0,2]=4 1968 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [2,0,0,0,0,0|0,0,1]=3 1969 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [2,0,0,0,0,0|0,1,1]=4 1970 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [2,0,0,0,0,0|1,0,1]=4 1971 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [2,0,0,0,0,0|1,0,1]=4 1972 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [2,0,0,0,0,0|1,0,0]=3 1973 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [2,0,0,0,0,0|1,0,0]=3 1974 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [2,0,0,0,0,0|1,1,0]=4 1975 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [2,0,0,0,0,0|1,1,0]=4 1976 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [2,0,0,0,0,0|2,0,0]=4 1977 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [2,0,0,0,0,0|2,0,0]=4 1978 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [2,0,0,0,0,0|2,0,0]=4 1979 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [2,0,0,0,0,0|2,0,0]=4 1980 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [2,0,0,0,0,0|1,0,0]=3 1981 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [2,0,0,0,0,0|1,0,0]=3 1982 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [2,0,0,0,0,0|1,0,0]=3 1983 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [2,0,0,0,0,0|1,0,0]=3 1984 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [2,0,0,0,0,0|1,1,0]=4 1985 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [2,0,0,0,0,0|1,1,0]=4 1986 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [2,0,0,0,0,0|1,1,0]=4 1987 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [2,0,0,0,0,0|2,0,0]=4 1988 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [2,0,0,0,0,0|2,0,0]=4 1989 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [2,0,0,0,0,0|2,0,0]=4 1990 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [2,0,0,0,0,0|2,0,0]=4 1991 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [2,0,0,0,0,0|2,0,0]=4 1992 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [2,0,0,0,0,0|2,0,0]=4 1993 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [2,0,0,0,0,0|1,0,0]=3 1994 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [2,0,0,0,0,0|1,1,0]=4 1995 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [2,0,0,0,0,0|2,0,0]=4 1996 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [2,0,0,0,0,0|2,0,0]=4 1997 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [2,0,0,0,0,0|2,0,0]=4 1998 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [2,0,0,0,0,0|2,0,0]=4 1999 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [2,0,0,0,0,0|2,0,0]=4 2000 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [2,0,0,0,0,0|2,0,0]=4 2001 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [2,0,0,0,0,0|2,0,0]=4 2002 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [2,0,0,0,0,0|1,0,0]=3 2003 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [2,0,0,0,0,0|1,0,0]=3 2004 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [2,0,0,0,0,0|1,1,0]=4 2005 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [2,0,0,0,0,0|2,0,0]=4 2006 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [2,0,0,0,0,0|1,0,0]=3 2007 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [2,0,0,0,0,0|1,1,0]=4 2008 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [2,0,0,0,0,0|2,0,0]=4 2009 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [2,0,0,0,0,0|2,0,0]=4 2010 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [2,0,0,0,0,0|2,0,0]=4 2011 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [2,0,0,0,0,0|2,0,0]=4 2012 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,1,1,0,0,0|1,0,1]=4 2013 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,1,1,0,0,0|1,0,1]=4 2014 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,1,1,0,0,0|1,0,1]=4 2015 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,1,1,0,0,0|1,0,1]=4 2016 B10R0.4 C/C=C/C=C/COCC(=O)N 34a_100016283227_100000187820 [0,1,1,0,0,0|2,0,0]=4 2017 B10R0.4 C/C=C/C=C/COCC(=O)[O-] 34a_100016283227_100020667443 [0,1,1,0,0,0|2,0,0]=4 2018 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,1,1,0,0,0|0,0,2]=4 2019 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,1,1,0,0,0|0,0,2]=4 2020 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,1,1,0,0,0|0,0,2]=4 2021 B10R0.4 C=C(C)COC/C=C/C=C/C 34a_100016283227_100000748629 [0,1,1,0,0,0|2,0,0]=4 2022 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [0,1,1,0,0,0|0,0,2]=4 2023 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [0,1,1,0,0,0|0,0,2]=4 2024 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [0,1,1,0,0,0|0,0,2]=4 2025 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,1,1,0,0,0|0,0,2]=4 2026 B10R0.4 C=CCOCCCNC(=O)C 34a_100000752032_100015514636 [0,1,1,0,0,0|0,0,2]=4 2027 B10R0.4 C=CCOCCCOC(=O)C 34a_200000210373_100000042594 [0,1,1,0,0,0|0,0,2]=4 2028 B10R0.4 C=CCOCCCSC(=O)C 34a_200000210373_100000038929 [0,1,1,0,0,0|0,0,2]=4 2029 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,1,1,0,0,0|0,0,2]=4 2030 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,1,1,0,0,0|0,0,2]=4 2031 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,1,1,0,0,0|1,0,1]=4 2032 B10R0.55 C=CC(C)OCCCC(=O)C 34a_100000695699_100000685027 [0,1,1,0,0,0|0,0,2]=4 2033 B10R0.74 C=CCOCCCC(=O)NC 34a_200000210373_100000741757 [0,1,1,0,0,0|0,0,2]=4 2034 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [0,1,1,0,0,0|0,0,2]=4 2035 B10R0.78 C=CC=CC(=O)CCC(=C)C 1458a_100016291481_100000730704 [0,1,1,0,0,0|2,0,0]=4 2036 B10R0.78 C=CCOC(=O)NCC(=O)C 1458a_100000216761_200000210301 [0,1,1,0,0,0|1,0,1]=4 2037 B10R0.78 C=CCOC(=O)NCC(=O)[13CH3] 1458a_100000216761_200025704644 [0,1,1,0,0,0|1,0,1]=4 2038 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [0,1,1,0,0,0|0,0,2]=4 2039 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [0,1,1,0,0,0|0,0,2]=4 2040 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [0,1,1,0,0,0|0,0,2]=4 2041 B10R0.97 C=C(F)COCCCC(=O)C 34a_100000759063_100009893438 [0,1,1,0,0,0|0,0,2]=4 2042 B10R0.97 C=C(F)COCCCC(=O)C 34a_200010262243_100000685027 [0,1,1,0,0,0|0,0,2]=4 2043 B10R0.97 C=C(F)COCCCC(=O)C 7a_100000759063_100000042424 [0,1,1,0,0,0|0,0,2]=4 2044 B10R0.108 C=CCC(=O)CCC(=O)NC 1458a_100011309844_100000210623 [0,1,1,0,0,0|0,0,2]=4 2045 B10R0.108 C=CCC(=O)CCC(=O)OC 1458a_100000187943_100000210623 [0,1,1,0,0,0|0,0,2]=4 2046 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [1,1,0,0,0,0|1,0,1]=4 2047 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [1,1,0,0,0,0|1,0,1]=4 2048 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [1,1,0,0,0,0|1,0,1]=4 2049 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [1,1,0,0,0,0|1,0,1]=4 2050 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [1,1,0,0,0,0|1,0,0]=3 2051 B10R1.11 COCC(N)c1cccs1 34a_100102422791_200000210301 [1,1,0,0,0,0|1,1,0]=4 2052 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [1,1,0,0,0,0|1,0,1]=4 2053 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [1,1,0,0,0,0|1,0,1]=4 2054 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [1,1,0,0,0,0|1,0,0]=3 2055 B10R1.11 [13CH3]OCC(N)c1cccs1 34a_100102422791_200025704644 [1,1,0,0,0,0|1,1,0]=4 2056 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [1,1,0,0,0,0|1,0,1]=4 2057 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [1,1,0,0,0,0|1,0,1]=4 2058 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [1,1,0,0,0,0|0,1,1]=4 2059 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [1,1,0,0,0,0|0,1,1]=4 2060 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [1,1,0,0,0,0|0,1,1]=4 2061 B10R1.16 CCNCc1cc(co1)Br 270004a_100015525214_100000747035 [1,1,0,0,0,0|1,0,1]=4 2062 B10R1.16 CCNCc1ccc(o1)Br 207a_100015525214_100000185145 [1,1,0,0,0,0|1,0,1]=4 2063 B10R1.16 CCNCc1ccc(o1)Br 270004a_100015525214_100000185145 [1,1,0,0,0,0|1,0,1]=4 2064 B10R1.16 CCNCc1ccc(o1)Br 34a_100000708654_100000210202 [1,1,0,0,0,0|1,0,1]=4 2065 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [1,1,0,0,0,0|1,0,1]=4 2066 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [1,1,0,0,0,0|1,0,1]=4 2067 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [1,1,0,0,0,0|1,0,1]=4 2068 B10R1.16 CCNCc1ccc(o1)Cl 207a_100015525214_100000188459 [1,1,0,0,0,0|1,0,1]=4 2069 B10R1.16 CCNCc1ccc(o1)Cl 270004a_100015525214_100000188459 [1,1,0,0,0,0|1,0,1]=4 2070 B10R1.16 CCNCc1ccc(o1)I 207a_100015525214_100000186757 [1,1,0,0,0,0|1,0,1]=4 2071 B10R1.16 CCOCc1ccc(o1)Br 34a_100000246276_100000210202 [1,1,0,0,0,0|1,0,1]=4 2072 B10R1.16 CCOCc1ccc(o1)Br 7a_100000246276_100000210202 [1,1,0,0,0,0|1,0,1]=4 2073 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [1,1,0,0,0,0|1,0,1]=4 2074 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [1,1,0,0,0,0|1,0,1]=4 2075 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [1,1,0,0,0,0|1,0,0]=3 2076 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [1,1,0,0,0,0|1,0,0]=3 2077 B10R1.16 CNCCc1ccc(s1)Br 2230a_100000217605_200000210301 [1,1,0,0,0,0|1,1,0]=4 2078 B10R1.16 COCCc1cc(no1)Br 34a_100009816916_200000210301 [1,1,0,0,0,0|2,0,0]=4 2079 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [1,1,0,0,0,0|1,0,0]=3 2080 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [1,1,0,0,0,0|1,0,0]=3 2081 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [1,1,0,0,0,0|1,0,0]=3 2082 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [1,1,0,0,0,0|1,0,0]=3 2083 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [1,1,0,0,0,0|1,0,0]=3 2084 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [1,1,0,0,0,0|1,0,0]=3 2085 B10R1.16 Cc1ccc(s1)SCC=O 62a_100000031368_200015260668 [1,1,0,0,0,0|1,1,0]=4 2086 B10R1.16 Cc1ccc(s1)SCC=O 62a_200015260668_100000031368 [1,1,0,0,0,0|1,1,0]=4 2087 B10R1.16 Cc1csc(c1)SCC=O 62a_100009876951_200015260668 [1,1,0,0,0,0|1,1,0]=4 2088 B10R1.16 Cc1csc(c1)SCC=O 62a_200015260668_100009876951 [1,1,0,0,0,0|1,1,0]=4 2089 B10R1.16 O=CCSc1ccc(s1)Br 62a_100010197418_200015260668 [1,1,0,0,0,0|1,1,0]=4 2090 B10R1.16 O=CCSc1ccc(s1)Br 62a_200015260668_100010197418 [1,1,0,0,0,0|1,1,0]=4 2091 B10R1.16 [13CH3]NCCc1ccc(s1)Br 2230a_100000217605_200025704644 [1,1,0,0,0,0|1,1,0]=4 2092 B10R1.16 [13CH3]OCCc1cc(no1)Br 34a_100009816916_200025704644 [1,1,0,0,0,0|2,0,0]=4 2093 B10R1.21 C#CCCSc1ccco1 62a_100000688953_100009814098 [1,1,0,0,0,0|0,0,2]=4 2094 B10R1.21 C#CCCSc1ccco1 62a_100009814098_100000688953 [1,1,0,0,0,0|0,0,2]=4 2095 B10R1.21 C#CCNCc1ccco1 2230a_100000185738_100000038162 [1,1,0,0,0,0|0,0,2]=4 2096 B10R1.21 C#CCNCc1ccco1 34a_100000185738_100000184674 [1,1,0,0,0,0|0,0,2]=4 2097 B10R1.21 C#CCOCc1ccco1 34a_100000210059_100000184674 [1,1,0,0,0,0|0,0,2]=4 2098 B10R1.21 C/C=C/CSc1ccco1 62a_100009814098_100102629194 [1,1,0,0,0,0|0,0,1]=3 2099 B10R1.21 C/C=C/CSc1ccco1 62a_100102629194_100009814098 [1,1,0,0,0,0|0,0,1]=3 2100 B10R1.21 C/C=C/CSc1cccs1 62a_100011215356_100102629194 [1,1,0,0,0,0|0,1,1]=4 2101 B10R1.21 C/C=C/CSc1cccs1 62a_100102629194_100011215356 [1,1,0,0,0,0|0,1,1]=4 2102 B10R1.21 C/C=C/CSc1cnco1 62a_100020591547_100102629194 [1,1,0,0,0,0|1,0,1]=4 2103 B10R1.21 C/C=C/CSc1cnco1 62a_100102629194_100020591547 [1,1,0,0,0,0|1,0,1]=4 2104 B10R1.21 C/C=C/CSc1ncco1 62a_100011787736_100102629194 [1,1,0,0,0,0|1,0,1]=4 2105 B10R1.21 C/C=C/CSc1ncco1 62a_100102629194_100011787736 [1,1,0,0,0,0|1,0,1]=4 2106 B10R1.21 C=CCCSc1ccco1 62a_100000754431_100009814098 [1,1,0,0,0,0|0,0,1]=3 2107 B10R1.21 C=CCCSc1ccco1 62a_100009814098_100000754431 [1,1,0,0,0,0|0,0,1]=3 2108 B10R1.21 C=CCCSc1cccs1 62a_100000754431_100011215356 [1,1,0,0,0,0|0,1,1]=4 2109 B10R1.21 C=CCCSc1cccs1 62a_100011215356_100000754431 [1,1,0,0,0,0|0,1,1]=4 2110 B10R1.21 C=CCCSc1cnco1 62a_100000754431_100020591547 [1,1,0,0,0,0|1,0,1]=4 2111 B10R1.21 C=CCCSc1cnco1 62a_100020591547_100000754431 [1,1,0,0,0,0|1,0,1]=4 2112 B10R1.21 C=CCCSc1ncco1 62a_100000754431_100011787736 [1,1,0,0,0,0|1,0,1]=4 2113 B10R1.21 C=CCCSc1ncco1 62a_100011787736_100000754431 [1,1,0,0,0,0|1,0,1]=4 2114 B10R1.21 C=CCNCc1ccco1 2230a_100000185738_100000210623 [1,1,0,0,0,0|0,0,1]=3 2115 B10R1.21 C=CCNCc1ccco1 270004a_100020586998_100000186105 [1,1,0,0,0,0|0,0,1]=3 2116 B10R1.21 C=CCNCc1ccco1 34a_100000185738_100015514636 [1,1,0,0,0,0|0,0,1]=3 2117 B10R1.21 C=CCNCc1cccs1 2230a_100000211653_100000210623 [1,1,0,0,0,0|0,1,1]=4 2118 B10R1.21 C=CCNCc1cccs1 270004a_100020586998_100000209959 [1,1,0,0,0,0|0,1,1]=4 2119 B10R1.21 C=CCNCc1cnco1 270004a_100020586998_100000064291 [1,1,0,0,0,0|1,0,1]=4 2120 B10R1.21 C=CCNCc1ncco1 2230a_100016994969_100000210623 [1,1,0,0,0,0|1,0,1]=4 2121 B10R1.21 C=CCNCc1ncco1 2230a_100020586998_103436540062 [1,1,0,0,0,0|1,0,1]=4 2122 B10R1.21 C=CCNCc1ncco1 270004a_100020586998_100000064290 [1,1,0,0,0,0|1,0,1]=4 2123 B10R1.21 C=CCOCc1ccco1 34a_100000210059_100015514636 [1,1,0,0,0,0|0,0,1]=3 2124 B10R1.21 C=CCOCc1cccs1 34a_100000211240_100015514636 [1,1,0,0,0,0|0,1,1]=4 2125 B10R1.21 C=CCOCc1ccno1 34a_100000740478_100015514636 [1,1,0,0,0,0|1,0,1]=4 2126 B10R1.21 C=CCOCc1ncco1 34a_100000062594_100015514636 [1,1,0,0,0,0|1,0,1]=4 2127 B10R1.21 C=CCOCc1ncco1 34a_200000210373_103436540062 [1,1,0,0,0,0|1,0,1]=4 2128 B10R1.21 C=CCSCc1ncco1 62a_100000210623_103436540062 [1,1,0,0,0,0|1,0,1]=4 2129 B10R1.21 C=CCSCc1ncco1 62a_103436540062_100000210623 [1,1,0,0,0,0|1,0,1]=4 2130 B10R1.21 CC#CCSc1ccco1 62a_100000748600_100009814098 [1,1,0,0,0,0|0,0,2]=4 2131 B10R1.21 CC#CCSc1ccco1 62a_100009814098_100000748600 [1,1,0,0,0,0|0,0,2]=4 2132 B10R1.21 CC=CCSc1ccco1 62a_100000070051_100009814098 [1,1,0,0,0,0|0,0,1]=3 2133 B10R1.21 CC=CCSc1ccco1 62a_100009814098_100000070051 [1,1,0,0,0,0|0,0,1]=3 2134 B10R1.21 CC=CCSc1cccs1 62a_100000070051_100011215356 [1,1,0,0,0,0|0,1,1]=4 2135 B10R1.21 CC=CCSc1cccs1 62a_100011215356_100000070051 [1,1,0,0,0,0|0,1,1]=4 2136 B10R1.21 CC=CCSc1cnco1 62a_100000070051_100020591547 [1,1,0,0,0,0|1,0,1]=4 2137 B10R1.21 CC=CCSc1cnco1 62a_100020591547_100000070051 [1,1,0,0,0,0|1,0,1]=4 2138 B10R1.21 CC=CCSc1ncco1 62a_100000070051_100011787736 [1,1,0,0,0,0|1,0,1]=4 2139 B10R1.21 CC=CCSc1ncco1 62a_100011787736_100000070051 [1,1,0,0,0,0|1,0,1]=4 2140 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [1,1,0,0,0,0|0,0,2]=4 2141 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [1,1,0,0,0,0|0,0,1]=3 2142 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [1,1,0,0,0,0|0,0,1]=3 2143 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [1,1,0,0,0,0|0,1,1]=4 2144 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [1,1,0,0,0,0|0,1,1]=4 2145 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [1,1,0,0,0,0|1,0,1]=4 2146 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [1,1,0,0,0,0|1,0,1]=4 2147 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [1,1,0,0,0,0|1,0,1]=4 2148 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [1,1,0,0,0,0|1,0,1]=4 2149 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [1,1,0,0,0,0|0,0,1]=3 2150 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [1,1,0,0,0,0|0,0,1]=3 2151 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [1,1,0,0,0,0|0,0,1]=3 2152 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [1,1,0,0,0,0|0,0,1]=3 2153 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [1,1,0,0,0,0|0,1,1]=4 2154 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [1,1,0,0,0,0|0,1,1]=4 2155 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [1,1,0,0,0,0|0,1,1]=4 2156 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [1,1,0,0,0,0|1,0,1]=4 2157 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [1,1,0,0,0,0|1,0,1]=4 2158 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [1,1,0,0,0,0|1,0,1]=4 2159 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [1,1,0,0,0,0|0,0,1]=3 2160 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [1,1,0,0,0,0|0,1,1]=4 2161 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [1,1,0,0,0,0|1,0,1]=4 2162 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [1,1,0,0,0,0|1,0,1]=4 2163 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [1,1,0,0,0,0|1,0,1]=4 2164 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [1,1,0,0,0,0|1,0,1]=4 2165 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [1,1,0,0,0,0|1,0,1]=4 2166 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [1,1,0,0,0,0|0,0,1]=3 2167 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [1,1,0,0,0,0|0,0,1]=3 2168 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [1,1,0,0,0,0|0,1,1]=4 2169 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [1,1,0,0,0,0|0,1,1]=4 2170 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [1,1,0,0,0,0|0,1,1]=4 2171 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [1,1,0,0,0,0|0,1,1]=4 2172 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [1,1,0,0,0,0|0,1,1]=4 2173 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [1,1,0,0,0,0|0,1,1]=4 2174 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [1,1,0,0,0,0|1,0,1]=4 2175 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [1,1,0,0,0,0|1,0,1]=4 2176 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [1,1,0,0,0,0|0,1,1]=4 2177 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [1,1,0,0,0,0|0,1,1]=4 2178 B10R1.21 CNCC=Cc1ccco1 270004a_106832991635_100000185671 [1,1,0,0,0,0|1,0,1]=4 2179 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [1,1,0,0,0,0|0,1,1]=4 2180 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [1,1,0,0,0,0|0,1,1]=4 2181 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [1,1,0,0,0,0|0,1,1]=4 2182 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [1,1,0,0,0,0|1,0,1]=4 2183 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [1,1,0,0,0,0|0,1,1]=4 2184 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [1,1,0,0,0,0|0,1,1]=4 2185 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [1,1,0,0,0,0|0,1,1]=4 2186 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [1,1,0,0,0,0|1,0,0]=3 2187 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [1,1,0,0,0,0|1,0,0]=3 2188 B10R1.21 COCCSc1cccs1 62a_100000233755_100011215356 [1,1,0,0,0,0|1,1,0]=4 2189 B10R1.21 COCCSc1cccs1 62a_100011215356_100000233755 [1,1,0,0,0,0|1,1,0]=4 2190 B10R1.21 COCCSc1cnco1 62a_100000233755_100020591547 [1,1,0,0,0,0|2,0,0]=4 2191 B10R1.21 COCCSc1cnco1 62a_100020591547_100000233755 [1,1,0,0,0,0|2,0,0]=4 2192 B10R1.21 COCCSc1ncco1 62a_100000233755_100011787736 [1,1,0,0,0,0|2,0,0]=4 2193 B10R1.21 COCCSc1ncco1 62a_100011787736_100000233755 [1,1,0,0,0,0|2,0,0]=4 2194 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [1,1,0,0,0,0|1,0,0]=3 2195 B10R1.21 COCNCc1cccs1 2230a_100000211653_100000766300 [1,1,0,0,0,0|1,1,0]=4 2196 B10R1.21 COCNCc1ncco1 2230a_100016994969_100000766300 [1,1,0,0,0,0|2,0,0]=4 2197 B10R1.21 COCSCc1ncco1 62a_100000766300_103436540062 [1,1,0,0,0,0|2,0,0]=4 2198 B10R1.21 COCSCc1ncco1 62a_103436540062_100000766300 [1,1,0,0,0,0|2,0,0]=4 2199 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [1,1,0,0,0,0|0,1,1]=4 2200 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [1,1,0,0,0,0|0,1,1]=4 2201 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [1,1,0,0,0,0|1,0,0]=3 2202 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [1,1,0,0,0,0|1,0,0]=3 2203 B10R1.21 CSCCSc1cccs1 62a_100000212216_100011215356 [1,1,0,0,0,0|1,1,0]=4 2204 B10R1.21 CSCCSc1cccs1 62a_100011215356_100000751147 [1,1,0,0,0,0|1,1,0]=4 2205 B10R1.21 CSCCSc1cnco1 62a_100000212216_100020591547 [1,1,0,0,0,0|2,0,0]=4 2206 B10R1.21 CSCCSc1cnco1 62a_100020591547_100000751147 [1,1,0,0,0,0|2,0,0]=4 2207 B10R1.21 CSCCSc1ncco1 62a_100000212216_100011787736 [1,1,0,0,0,0|2,0,0]=4 2208 B10R1.21 CSCCSc1ncco1 62a_100011787736_100000751147 [1,1,0,0,0,0|2,0,0]=4 2209 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [1,1,0,0,0,0|1,0,0]=3 2210 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [1,1,0,0,0,0|1,0,0]=3 2211 B10R1.21 CSCNCc1cccs1 2230a_100000211653_100011218213 [1,1,0,0,0,0|1,1,0]=4 2212 B10R1.21 CSCNCc1ncco1 2230a_100016994969_100011218213 [1,1,0,0,0,0|2,0,0]=4 2213 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [1,1,0,0,0,0|1,0,0]=3 2214 B10R1.21 CSCOCc1cccs1 34a_100000211240_100011218213 [1,1,0,0,0,0|1,1,0]=4 2215 B10R1.21 CSCOCc1ccno1 34a_100000740478_100011218213 [1,1,0,0,0,0|2,0,0]=4 2216 B10R1.21 CSCOCc1ncco1 34a_100000062594_100011218213 [1,1,0,0,0,0|2,0,0]=4 2217 B10R1.21 CSCSCc1ncco1 62a_100011218213_103436540062 [1,1,0,0,0,0|2,0,0]=4 2218 B10R1.21 CSCSCc1ncco1 62a_103436540062_100011218213 [1,1,0,0,0,0|2,0,0]=4 2219 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [1,1,0,0,0,0|1,0,1]=4 2220 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [1,1,0,0,0,0|1,0,1]=4 2221 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [1,1,0,0,0,0|1,0,1]=4 2222 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [1,1,0,0,0,0|1,0,1]=4 2223 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [1,1,0,0,0,0|1,0,1]=4 2224 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [1,1,0,0,0,0|1,0,0]=3 2225 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [1,1,0,0,0,0|1,1,0]=4 2226 B10R1.21 FCOCCc1cccs1 34a_100011216825_100015361967 [1,1,0,0,0,0|1,1,0]=4 2227 B10R1.21 FCOCCc1cccs1 7a_100011216825_100015361967 [1,1,0,0,0,0|1,1,0]=4 2228 B10R1.21 FCSCCc1cccs1 62a_100000748579_100015361967 [1,1,0,0,0,0|1,1,0]=4 2229 B10R1.21 FCSCCc1cccs1 62a_100015361967_100000748579 [1,1,0,0,0,0|1,1,0]=4 2230 B10R1.21 N#CCCSc1ccco1 62a_100009814098_100011215226 [1,1,0,0,0,0|1,0,1]=4 2231 B10R1.21 N#CCCSc1ccco1 62a_100011215226_100009814098 [1,1,0,0,0,0|1,0,1]=4 2232 B10R1.21 N#CCNCc1ccco1 2230a_100000185738_100011215382 [1,1,0,0,0,0|1,0,1]=4 2233 B10R1.21 O=CCNCc1ccco1 2230a_100000185738_200015260668 [1,1,0,0,0,0|0,0,0]=2 2234 B10R1.21 O=CCNCc1ccco1 34a_100000185738_200009817547 [1,1,0,0,0,0|0,0,0]=2 2235 B10R1.21 O=CCNCc1cccs1 2230a_100000211653_200015260668 [1,1,0,0,0,0|0,1,0]=3 2236 B10R1.21 O=CCNCc1ccoc1 2230a_100015206860_200015260668 [1,1,0,0,0,0|2,0,0]=4 2237 B10R1.21 O=CCNCc1ccoc1 34a_100015206860_200009817547 [1,1,0,0,0,0|2,0,0]=4 2238 B10R1.21 O=CCNCc1ccsc1 2230a_100000186416_200015260668 [1,1,0,0,0,0|2,0,0]=4 2239 B10R1.21 O=CCNCc1ccsc1 34a_100000186416_200009817547 [1,1,0,0,0,0|2,0,0]=4 2240 B10R1.21 O=CCNCc1cncs1 2230a_100016987365_200015260668 [1,1,0,0,0,0|1,1,0]=4 2241 B10R1.21 O=CCNCc1cscn1 2230a_100015185402_200015260668 [1,1,0,0,0,0|2,0,0]=4 2242 B10R1.21 O=CCNCc1ncco1 2230a_100016994969_200015260668 [1,1,0,0,0,0|1,0,0]=3 2243 B10R1.21 O=CCNCc1nccs1 2230a_100000740555_200015260668 [1,1,0,0,0,0|1,1,0]=4 2244 B10R1.21 O=CCOCc1ccco1 34a_100000210059_200009817547 [1,1,0,0,0,0|0,0,0]=2 2245 B10R1.21 O=CCOCc1cccs1 34a_100000211240_200009817547 [1,1,0,0,0,0|0,1,0]=3 2246 B10R1.21 O=CCOCc1ccno1 34a_100000740478_200009817547 [1,1,0,0,0,0|1,0,0]=3 2247 B10R1.21 O=CCOCc1ccoc1 34a_100011215357_200009817547 [1,1,0,0,0,0|2,0,0]=4 2248 B10R1.21 O=CCOCc1ccsc1 34a_100011215551_200009817547 [1,1,0,0,0,0|2,0,0]=4 2249 B10R1.21 O=CCOCc1ncco1 34a_100000062594_200009817547 [1,1,0,0,0,0|1,0,0]=3 2250 B10R1.21 O=CCOCn1cccn1 34a_100000731028_200009817547 [1,1,0,0,0,0|2,0,0]=4 2251 B10R1.21 O=CCSCc1c[nH]cn1 62a_100000707719_200015260668 [1,1,0,0,0,0|2,0,0]=4 2252 B10R1.21 O=CCSCc1c[nH]cn1 62a_200015260668_100000707719 [1,1,0,0,0,0|2,0,0]=4 2253 B10R1.21 O=CCSCc1ccn[nH]1 62a_100000728653_200015260668 [1,1,0,0,0,0|2,0,0]=4 2254 B10R1.21 O=CCSCc1ccn[nH]1 62a_200015260668_100000728653 [1,1,0,0,0,0|2,0,0]=4 2255 B10R1.21 O=CCSCc1ccon1 62a_100000234950_200015260668 [1,1,0,0,0,0|2,0,0]=4 2256 B10R1.21 O=CCSCc1ccon1 62a_200015260668_100000234950 [1,1,0,0,0,0|2,0,0]=4 2257 B10R1.21 O=CCSCc1ccsc1 62a_100011261437_200015260668 [1,1,0,0,0,0|2,0,0]=4 2258 B10R1.21 O=CCSCc1ccsc1 62a_200015260668_100011233845 [1,1,0,0,0,0|2,0,0]=4 2259 B10R1.21 O=CCSCc1cncs1 62a_100015185245_200015260668 [1,1,0,0,0,0|1,1,0]=4 2260 B10R1.21 O=CCSCc1cncs1 62a_200015260668_100015185245 [1,1,0,0,0,0|1,1,0]=4 2261 B10R1.21 O=CCSCc1cscn1 62a_100000205941_200015260668 [1,1,0,0,0,0|2,0,0]=4 2262 B10R1.21 O=CCSCc1cscn1 62a_200015260668_100000205941 [1,1,0,0,0,0|2,0,0]=4 2263 B10R1.21 O=CCSCc1ncc[nH]1 62a_100016991755_200015260668 [1,1,0,0,0,0|2,0,0]=4 2264 B10R1.21 O=CCSCc1ncc[nH]1 62a_200015260668_100016991755 [1,1,0,0,0,0|2,0,0]=4 2265 B10R1.21 O=CCSCc1ncco1 62a_103436540062_200015260668 [1,1,0,0,0,0|1,0,0]=3 2266 B10R1.21 O=CCSCc1ncco1 62a_200015260668_103436540062 [1,1,0,0,0,0|1,0,0]=3 2267 B10R1.21 O=CCSCc1nccs1 62a_100015184050_200015260668 [1,1,0,0,0,0|1,1,0]=4 2268 B10R1.21 O=CCSCc1nccs1 62a_200015260668_100015184050 [1,1,0,0,0,0|1,1,0]=4 2269 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [1,1,0,0,0,0|0,0,2]=4 2270 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [1,1,0,0,0,0|0,0,2]=4 2271 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [1,1,0,0,0,0|0,0,2]=4 2272 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [1,1,0,0,0,0|0,0,2]=4 2273 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [1,1,0,0,0,0|0,0,2]=4 2274 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [1,1,0,0,0,0|0,0,2]=4 2275 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [1,1,0,0,0,0|0,0,2]=4 2276 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [1,1,0,0,0,0|0,1,1]=4 2277 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [1,1,0,0,0,0|0,1,1]=4 2278 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [1,1,0,0,0,0|0,1,1]=4 2279 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [1,1,0,0,0,0|0,1,1]=4 2280 B10R1.27 C=CC(C)Sc1ccco1 62a_100011215867_100009814098 [1,1,0,0,0,0|1,0,1]=4 2281 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [1,1,0,0,0,0|1,0,0]=3 2282 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [1,1,0,0,0,0|1,0,0]=3 2283 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [1,1,0,0,0,0|1,1,0]=4 2284 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [1,1,0,0,0,0|0,0,2]=4 2285 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [1,1,0,0,0,0|1,0,1]=4 2286 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [1,1,0,0,0,0|1,0,1]=4 2287 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [1,1,0,0,0,0|1,0,1]=4 2288 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [1,1,0,0,0,0|1,0,1]=4 2289 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [1,1,0,0,0,0|1,0,1]=4 2290 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [1,1,0,0,0,0|1,0,1]=4 2291 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [1,1,0,0,0,0|1,0,1]=4 2292 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [1,1,0,0,0,0|1,0,1]=4 2293 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [1,1,0,0,0,0|1,0,1]=4 2294 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [1,1,0,0,0,0|1,0,1]=4 2295 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [1,1,0,0,0,0|1,0,0]=3 2296 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [1,1,0,0,0,0|1,1,0]=4 2297 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [1,1,0,0,0,0|1,0,0]=3 2298 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [1,1,0,0,0,0|1,0,0]=3 2299 B10R1.27 COC(C)Sc1ccco1 62a_100009814098_100009879195 [1,1,0,0,0,0|2,0,0]=4 2300 B10R1.27 COC(C)Sc1ccco1 62a_100009879195_100009814098 [1,1,0,0,0,0|2,0,0]=4 2301 B10R1.29 CCCCc1sccc1Br 271570a_100020621405_100012361411 [1,1,0,0,0,0|0,1,1]=4 2302 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [1,1,0,0,0,0|0,1,1]=4 2303 B10R1.29 CCNCc1occc1Br 270004a_100015525214_100000756499 [1,1,0,0,0,0|1,0,1]=4 2304 B10R1.29 CCNCc1occc1C 207a_100015525214_100000763527 [1,1,0,0,0,0|1,0,1]=4 2305 B10R1.29 CCNCc1occc1C 270004a_100015525214_100000763527 [1,1,0,0,0,0|1,0,1]=4 2306 B10R1.29 CCOCc1occc1C 34a_100011273948_100000210202 [1,1,0,0,0,0|1,0,1]=4 2307 B10R1.29 CCOCc1occc1C 7a_100011273948_100000210202 [1,1,0,0,0,0|1,0,1]=4 2308 B10R1.29 CNCCc1cccn1C 2230a_100011251756_200000210301 [1,1,0,0,0,0|2,0,0]=4 2309 B10R1.29 CNCCc1cccn1C 34a_100011251756_200000210301 [1,1,0,0,0,0|2,0,0]=4 2310 B10R1.29 Cc1ccsc1SCC=O 62a_100010247149_200015260668 [1,1,0,0,0,0|1,1,0]=4 2311 B10R1.29 Cc1ccsc1SCC=O 62a_200015260668_100010247149 [1,1,0,0,0,0|1,1,0]=4 2312 B10R1.29 Cn1cccc1CCN[13CH3] 2230a_100011251756_200025704644 [1,1,0,0,0,0|2,0,0]=4 2313 B10R1.29 Cn1cccc1CCN[13CH3] 34a_100011251756_200025704644 [1,1,0,0,0,0|2,0,0]=4 2314 B10R1.29 O=CCSc1sccc1Br 62a_100012361411_200015260668 [1,1,0,0,0,0|1,1,0]=4 2315 B10R1.29 O=CCSc1sccc1Br 62a_200015260668_100012361411 [1,1,0,0,0,0|1,1,0]=4 2316 B10R1.23 CC(=C(C)c1ccco1)C 271570a_200000049429_100009814098 [0,1,0,0,1,0|1,0,1]=4 2317 B10R1.23 CC(=O)C(C)n1cccc1 1458a_100000243804_200000210301 [0,1,0,0,1,0|2,0,0]=4 2318 B10R1.23 CC(C(=O)[13CH3])n1cccc1 1458a_100000243804_200025704644 [0,1,0,0,1,0|2,0,0]=4 2319 B10R1.23 CC(c1ccco1)N(C)C 2230a_100000232712_200000210301 [0,1,0,0,1,0|2,0,0]=4 2320 B10R1.23 CC(c1ccco1)N(C)C 269982a_100000232712_200000210301 [0,1,0,0,1,0|2,0,0]=4 2321 B10R1.23 CC(c1ccco1)N(C)[13CH3] 2230a_100000232712_200025704644 [0,1,0,0,1,0|2,0,0]=4 2322 B10R1.23 CC(c1ccco1)N(C)[13CH3] 269982a_100000232712_200025704644 [0,1,0,0,1,0|2,0,0]=4 2323 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,1,0,0,1,0|0,1,0]=3 2324 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,1,0,0,1,0|0,1,0]=3 2325 B10R1.54 CC(=O)Cc1cc(no1)Br 1458a_100000070787_100000709089 [0,1,0,0,1,0|1,0,0]=3 2326 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000037866_200000210301 [0,1,0,0,1,0|1,0,0]=3 2327 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000070787_100000707947 [0,1,0,0,1,0|1,0,0]=3 2328 B10R1.54 CC(=O)Cc1cc(on1)C 1458a_100000070787_100000199038 [0,1,0,0,1,0|2,0,0]=4 2329 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,1,0,0,1,0|0,1,0]=3 2330 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,1,0,0,1,0|0,1,0]=3 2331 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,1,0,0,1,0|0,1,0]=3 2332 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,1,0,0,1,0|0,1,0]=3 2333 B10R1.54 CC(=O)Cc1ccn(n1)C 1458a_100000070787_100000726502 [0,1,0,0,1,0|2,0,0]=4 2334 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100000070787_100000717665 [0,1,0,0,1,0|2,0,0]=4 2335 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100011512828_200000210301 [0,1,0,0,1,0|2,0,0]=4 2336 B10R1.54 CC(=O)Cc1cnc(s1)Br 1458a_100000070787_100000717027 [0,1,0,0,1,0|1,1,0]=4 2337 B10R1.54 CC(=O)Cc1cnc(s1)C 1458a_100000070787_100020635045 [0,1,0,0,1,0|1,1,0]=4 2338 B10R1.54 CC(=O)Cc1cnc(s1)Cl 1458a_100000070787_100000058068 [0,1,0,0,1,0|1,1,0]=4 2339 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,1,0,0,1,0|2,0,0]=4 2340 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,1,0,0,1,0|2,0,0]=4 2341 B10R1.54 CC(=O)Cc1csc(n1)Cl 1458a_100000070787_100000024076 [0,1,0,0,1,0|2,0,0]=4 2342 B10R1.54 CC(=O)Cc1nc(no1)C 1458a_100000070787_100000735555 [0,1,0,0,1,0|2,0,0]=4 2343 B10R1.54 CC(=O)Cc1nc(no1)C 1458a_100011441805_200000210301 [0,1,0,0,1,0|2,0,0]=4 2344 B10R1.54 CC(=O)Cc1nnc(o1)C 1458a_100000070787_100000181450 [0,1,0,0,1,0|2,0,0]=4 2345 B10R1.54 CC(=O)Cn1cc(cn1)Br 1458a_100000238729_200000210301 [0,1,0,0,1,0|2,0,0]=4 2346 B10R1.54 CC(=O)Cn1cc(cn1)C 1458a_100000743463_200000210301 [0,1,0,0,1,0|2,0,0]=4 2347 B10R1.54 CC(=O)Cn1cc(cn1)Cl 1458a_100000759256_200000210301 [0,1,0,0,1,0|2,0,0]=4 2348 B10R1.54 CC(=O)Cn1cc(cn1)I 1458a_100012072407_200000210301 [0,1,0,0,1,0|2,0,0]=4 2349 B10R1.54 CC(=O)Cn1cc(cn1)O 271570a_203496583355_100000763327 [0,1,0,0,1,0|2,0,0]=4 2350 B10R1.54 CC(=O)Cn1ccc(n1)C 1458a_100000238720_200000210301 [0,1,0,0,1,0|2,0,0]=4 2351 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [0,1,0,0,1,0|1,1,0]=4 2352 B10R1.54 CN(C)Cc1cc(co1)Br 270004a_100102631434_100000747035 [0,1,0,0,1,0|2,0,0]=4 2353 B10R1.54 CN(C)Cc1ccc(o1)Br 2230a_100000207588_200000210301 [0,1,0,0,1,0|2,0,0]=4 2354 B10R1.54 CN(C)Cc1ccc(o1)Br 269982a_100000207588_200000210301 [0,1,0,0,1,0|2,0,0]=4 2355 B10R1.54 CN(C)Cc1ccc(o1)Br 270004a_100102631434_100000185145 [0,1,0,0,1,0|2,0,0]=4 2356 B10R1.54 CN(C)Cc1ccc(o1)Cl 270004a_100102631434_100000188459 [0,1,0,0,1,0|2,0,0]=4 2357 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 2230a_100000207588_200025704644 [0,1,0,0,1,0|2,0,0]=4 2358 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 269982a_100000207588_200025704644 [0,1,0,0,1,0|2,0,0]=4 2359 B10R1.54 Cc1cc(on1)CC(=O)[13CH3] 1458a_100000037866_200025704644 [0,1,0,0,1,0|1,0,0]=3 2360 B10R1.54 Cc1ccc(o1)CN(C)C 2230a_100000184526_200000210301 [0,1,0,0,1,0|2,0,0]=4 2361 B10R1.54 Cc1ccc(o1)CN(C)C 269982a_100000184526_200000210301 [0,1,0,0,1,0|2,0,0]=4 2362 B10R1.54 Cc1ccc(o1)CN(C)C 270004a_100102631434_100000183696 [0,1,0,0,1,0|2,0,0]=4 2363 B10R1.54 Cc1ccc(o1)CN(C)C 34a_100000184526_200000210301 [0,1,0,0,1,0|2,0,0]=4 2364 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 2230a_100000184526_200025704644 [0,1,0,0,1,0|2,0,0]=4 2365 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 269982a_100000184526_200025704644 [0,1,0,0,1,0|2,0,0]=4 2366 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 34a_100000184526_200025704644 [0,1,0,0,1,0|2,0,0]=4 2367 B10R1.54 Cc1ccn(n1)CC(=O)[13CH3] 1458a_100000238720_200025704644 [0,1,0,0,1,0|2,0,0]=4 2368 B10R1.54 Cc1cnn(c1)CC(=O)[13CH3] 1458a_100000743463_200025704644 [0,1,0,0,1,0|2,0,0]=4 2369 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,1,0,0,1,0|2,0,0]=4 2370 B10R1.54 Cc1noc(n1)CC(=O)[13CH3] 1458a_100011441805_200025704644 [0,1,0,0,1,0|2,0,0]=4 2371 B10R1.54 Cn1cnc(c1)CC(=O)[13CH3] 1458a_100011512828_200025704644 [0,1,0,0,1,0|2,0,0]=4 2372 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,1,0,0,1,0|0,1,0]=3 2373 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,1,0,0,1,0|0,1,0]=3 2374 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,1,0,0,1,0|0,1,0]=3 2375 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Br 1458a_100000238729_200025704644 [0,1,0,0,1,0|2,0,0]=4 2376 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Cl 1458a_100000759256_200025704644 [0,1,0,0,1,0|2,0,0]=4 2377 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)I 1458a_100012072407_200025704644 [0,1,0,0,1,0|2,0,0]=4 2378 B10R1.64 CC(=O)Cc1ccnn1C 1458a_100000070787_100000691648 [0,1,0,0,1,0|2,0,0]=4 2379 B10R1.64 CC(=O)Cc1ccsc1Br 1458a_100000070787_100009814289 [0,1,0,0,1,0|2,0,0]=4 2380 B10R1.64 CC(=O)Cc1ccsc1Cl 1458a_100000070787_100010167017 [0,1,0,0,1,0|2,0,0]=4 2381 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,1,0,0,1,0|2,0,0]=4 2382 B10R1.64 CC(=O)Cc1ncoc1C 1458a_100000070787_200000693990 [0,1,0,0,1,0|2,0,0]=4 2383 B10R1.64 CC(=O)Cn1nccc1C 1458a_100000759144_200000210301 [0,1,0,0,1,0|2,0,0]=4 2384 B10R1.64 CN(C)Cc1occc1Br 270004a_100102631434_100000756499 [0,1,0,0,1,0|2,0,0]=4 2385 B10R1.64 Cc1ccnn1CC(=O)[13CH3] 1458a_100000759144_200025704644 [0,1,0,0,1,0|2,0,0]=4 2386 B10R1.64 Cc1ccoc1CN(C)C 2230a_100000734364_200000210301 [0,1,0,0,1,0|2,0,0]=4 2387 B10R1.64 Cc1ccoc1CN(C)C 269982a_100000734364_200000210301 [0,1,0,0,1,0|2,0,0]=4 2388 B10R1.64 Cc1ccoc1CN(C)C 270004a_100102631434_100000763527 [0,1,0,0,1,0|2,0,0]=4 2389 B10R1.64 Cc1ccoc1CN(C)[13CH3] 2230a_100000734364_200025704644 [0,1,0,0,1,0|2,0,0]=4 2390 B10R1.64 Cc1ccoc1CN(C)[13CH3] 269982a_100000734364_200025704644 [0,1,0,0,1,0|2,0,0]=4 2391 B12R1.21 CC(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200000210301 [0,1,0,0,0,1|1,0,0]=3 2392 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,1,0,0,0,1|1,0,0]=3 2393 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,1,0,0,0,1|1,0,0]=3 2394 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,1,0,0,0,1|1,0,0]=3 2395 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,1,0,0,0,1|1,0,0]=3 2396 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,1,0,0,0,1|1,0,0]=3 2397 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,1,0,0,0,1|1,0,0]=3 2398 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,1,0,0,0,1|1,0,0]=3 2399 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,1,0,0,0,1|1,0,0]=3 2400 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,1,0,0,0,1|1,0,0]=3 2401 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,1,0,0,0,1|1,0,0]=3 2402 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,1,0,0,0,1|1,0,0]=3 2403 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,1,0,0,0,1|1,0,0]=3 2404 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,1,0,0,0,1|2,0,0]=4 2405 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,1,0,0,0,1|2,0,0]=4 2406 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,1,0,0,0,1|2,0,0]=4 2407 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,1,0,0,0,1|2,0,0]=4 2408 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,1,0,0,0,1|2,0,0]=4 2409 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,1,0,0,0,1|2,0,0]=4 2410 B12R1.21 CC(=O)COc1ncc(cn1)Br 1458a_200012356291_200000210301 [0,1,0,0,0,1|2,0,0]=4 2411 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,1,0,0,0,1|2,0,0]=4 2412 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,1,0,0,0,1|2,0,0]=4 2413 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,1,0,0,0,1|2,0,0]=4 2414 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,1,0,0,0,1|2,0,0]=4 2415 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,1,0,0,0,1|2,0,0]=4 2416 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,1,0,0,0,1|2,0,0]=4 2417 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,1,0,0,0,1|2,0,0]=4 2418 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,1,0,0,0,1|2,0,0]=4 2419 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,1,0,0,0,1|2,0,0]=4 2420 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,1,0,0,0,1|2,0,0]=4 2421 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,1,0,0,0,1|2,0,0]=4 2422 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,1,0,0,0,1|2,0,0]=4 2423 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,1,0,0,0,1|2,0,0]=4 2424 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,1,0,0,0,1|2,0,0]=4 2425 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,1,0,0,0,1|2,0,0]=4 2426 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,1,0,0,0,1|2,0,0]=4 2427 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,1,0,0,0,1|2,0,0]=4 2428 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,1,0,0,0,1|2,0,0]=4 2429 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,1,0,0,0,1|2,0,0]=4 2430 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,1,0,0,0,1|2,0,0]=4 2431 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,1,0,0,0,1|2,0,0]=4 2432 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,1,0,0,0,1|2,0,0]=4 2433 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,1,0,0,0,1|2,0,0]=4 2434 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,1,0,0,0,1|2,0,0]=4 2435 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,1,0,0,0,1|2,0,0]=4 2436 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,1,0,0,0,1|2,0,0]=4 2437 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,1,0,0,0,1|2,0,0]=4 2438 B12R1.21 CC(=O)NCc1ccc(cn1)Br 11a_100015188789_100015343762 [0,1,0,0,0,1|2,0,0]=4 2439 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100015343762 [0,1,0,0,0,1|2,0,0]=4 2440 B12R1.21 CC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100015343762 [0,1,0,0,0,1|2,0,0]=4 2441 B12R1.21 CC(=O)NCc1ccc(cn1)Br 527a_100015188789_100103153847 [0,1,0,0,0,1|2,0,0]=4 2442 B12R1.21 CC(=O)NCc1ccc(cn1)C 11a_100015187455_100015343762 [0,1,0,0,0,1|2,0,0]=4 2443 B12R1.21 CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100015343762 [0,1,0,0,0,1|2,0,0]=4 2444 B12R1.21 CC(=O)NCc1ccc(cn1)C 240690a_100015187455_100015343762 [0,1,0,0,0,1|2,0,0]=4 2445 B12R1.21 CC(=O)NCc1ccc(cn1)C 527a_100015187455_100103153847 [0,1,0,0,0,1|2,0,0]=4 2446 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100015343762 [0,1,0,0,0,1|2,0,0]=4 2447 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100015343762 [0,1,0,0,0,1|2,0,0]=4 2448 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100015343762 [0,1,0,0,0,1|2,0,0]=4 2449 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100103153847 [0,1,0,0,0,1|2,0,0]=4 2450 B12R1.21 CC(=O)NCc1ccc(cn1)F 11a_100020620131_100015343762 [0,1,0,0,0,1|2,0,0]=4 2451 B12R1.21 CC(=O)NCc1ccc(cn1)F 1626a_100020620131_100015343762 [0,1,0,0,0,1|2,0,0]=4 2452 B12R1.21 CC(=O)NCc1ccc(cn1)F 240690a_100020620131_100015343762 [0,1,0,0,0,1|2,0,0]=4 2453 B12R1.21 CC(=O)NCc1ccc(cn1)F 527a_100020620131_100103153847 [0,1,0,0,0,1|2,0,0]=4 2454 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,1,0,0,0,1|2,0,0]=4 2455 B12R1.21 CC(=O)NCc1ccc(nc1)Br 11a_100009817727_100015343762 [0,1,0,0,0,1|2,0,0]=4 2456 B12R1.21 CC(=O)NCc1ccc(nc1)Br 240690a_100009817727_100015343762 [0,1,0,0,0,1|2,0,0]=4 2457 B12R1.21 CC(=O)NCc1ccc(nc1)Br 527a_100009817727_100103153847 [0,1,0,0,0,1|2,0,0]=4 2458 B12R1.21 CC(=O)NCc1ccc(nc1)C 11a_100000740942_100015343762 [0,1,0,0,0,1|2,0,0]=4 2459 B12R1.21 CC(=O)NCc1ccc(nc1)C 1626a_100000740942_100015343762 [0,1,0,0,0,1|2,0,0]=4 2460 B12R1.21 CC(=O)NCc1ccc(nc1)C 240690a_100000740942_100015343762 [0,1,0,0,0,1|2,0,0]=4 2461 B12R1.21 CC(=O)NCc1ccc(nc1)C 527a_100000740942_100103153847 [0,1,0,0,0,1|2,0,0]=4 2462 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 11a_100000735879_100015343762 [0,1,0,0,0,1|2,0,0]=4 2463 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 1626a_100000735879_100015343762 [0,1,0,0,0,1|2,0,0]=4 2464 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 240690a_100000735879_100015343762 [0,1,0,0,0,1|2,0,0]=4 2465 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 527a_100000735879_100103153847 [0,1,0,0,0,1|2,0,0]=4 2466 B12R1.21 CC(=O)NCc1ccc(nc1)F 11a_100000101913_100015343762 [0,1,0,0,0,1|2,0,0]=4 2467 B12R1.21 CC(=O)NCc1ccc(nc1)F 1626a_100000101913_100015343762 [0,1,0,0,0,1|2,0,0]=4 2468 B12R1.21 CC(=O)NCc1ccc(nc1)F 240690a_100000101913_100015343762 [0,1,0,0,0,1|2,0,0]=4 2469 B12R1.21 CC(=O)NCc1ccc(nc1)F 527a_100000101913_100103153847 [0,1,0,0,0,1|2,0,0]=4 2470 B12R1.21 CC(=O)NCc1ccc(nc1)O 11a_100000757128_100015343762 [0,1,0,0,0,1|2,0,0]=4 2471 B12R1.21 CC(=O)NCc1ccc(nc1)O 240690a_100000757128_100015343762 [0,1,0,0,0,1|2,0,0]=4 2472 B12R1.21 CC(=O)NCc1cnc(cn1)C 11a_100132314150_100015343762 [0,1,0,0,0,1|2,0,0]=4 2473 B12R1.21 CC(=O)NCc1cnc(cn1)C 240690a_100132314150_100015343762 [0,1,0,0,0,1|2,0,0]=4 2474 B12R1.21 CC(=O)NCc1cnc(cn1)C 527a_100132314150_100103153847 [0,1,0,0,0,1|2,0,0]=4 2475 B12R1.21 CC(=O)NCc1ncc(cn1)Br 11a_200016993442_100015343762 [0,1,0,0,0,1|2,0,0]=4 2476 B12R1.21 CC(=O)NCc1ncc(cn1)Br 240690a_200016993442_100015343762 [0,1,0,0,0,1|2,0,0]=4 2477 B12R1.21 CC(=O)NCc1ncc(cn1)Br 527a_200016993442_100103153847 [0,1,0,0,0,1|2,0,0]=4 2478 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 11a_200015186297_100015343762 [0,1,0,0,0,1|2,0,0]=4 2479 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 1626a_200015186297_100015343762 [0,1,0,0,0,1|2,0,0]=4 2480 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 240690a_200015186297_100015343762 [0,1,0,0,0,1|2,0,0]=4 2481 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 527a_200015186297_100103153847 [0,1,0,0,0,1|2,0,0]=4 2482 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,1,0,0,0,1|1,0,0]=3 2483 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,1,0,0,0,1|2,0,0]=4 2484 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,1,0,0,0,1|2,0,0]=4 2485 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,1,0,0,0,1|2,0,0]=4 2486 B12R1.21 [13CH3]C(=O)CCc1ccc(=O)[nH]n1 1458a_200015201340_200025704644 [0,1,0,0,0,1|1,0,0]=3 2487 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,1,0,0,0,1|1,0,0]=3 2488 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,1,0,0,0,1|1,0,0]=3 2489 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,1,0,0,0,1|1,0,0]=3 2490 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,1,0,0,0,1|1,0,0]=3 2491 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,1,0,0,0,1|1,0,0]=3 2492 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,1,0,0,0,1|2,0,0]=4 2493 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,1,0,0,0,1|2,0,0]=4 2494 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,1,0,0,0,1|2,0,0]=4 2495 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,1,0,0,0,1|2,0,0]=4 2496 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,1,0,0,0,1|2,0,0]=4 2497 B12R1.21 [13CH3]C(=O)COc1ncc(cn1)Br 1458a_200012356291_200025704644 [0,1,0,0,0,1|2,0,0]=4 2498 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,1,0,0,0,1|2,0,0]=4 2499 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,1,0,0,0,1|2,0,0]=4 2500 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,1,0,0,0,1|2,0,0]=4 2501 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,1,0,0,0,1|1,0,1]=4 2502 B12R1.27 C#CC(=O)CCc1ccccn1 1458a_100000211873_100015183660 [0,1,0,0,0,1|1,0,1]=4 2503 B12R1.27 C#CC(=O)CCc1cccnc1 1458a_100000211873_200011713674 [0,1,0,0,0,1|1,0,1]=4 2504 B12R1.27 C#CC(=O)CCc1ccncc1 1458a_100000211873_100000723409 [0,1,0,0,0,1|1,0,1]=4 2505 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,1,0,0,0,1|1,0,1]=4 2506 B12R1.27 C=CC(=O)CCc1ccccn1 1458a_100000185746_100015183660 [0,1,0,0,0,1|1,0,1]=4 2507 B12R1.27 C=CC(=O)CCc1cccnc1 1458a_100000185746_200011713674 [0,1,0,0,0,1|1,0,1]=4 2508 B12R1.27 C=CC(=O)CCc1ccncc1 1458a_100000185746_100000723409 [0,1,0,0,0,1|1,0,1]=4 2509 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,1,0,0,0,1|1,0,0]=3 2510 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,1,0,0,0,1|1,0,0]=3 2511 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,1,0,0,0,1|1,0,0]=3 2512 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,1,0,0,0,1|1,0,0]=3 2513 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,1,0,0,0,1|1,0,0]=3 2514 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,1,0,0,0,1|1,0,0]=3 2515 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,1,0,0,0,1|1,0,0]=3 2516 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,1,0,0,0,1|1,0,0]=3 2517 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,1,0,0,0,1|2,0,0]=4 2518 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,1,0,0,0,1|2,0,0]=4 2519 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,1,0,0,0,1|2,0,0]=4 2520 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [0,1,0,0,0,1|2,0,0]=4 2521 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [0,1,0,0,0,1|2,0,0]=4 2522 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,1,0,0,0,1|2,0,0]=4 2523 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,1,0,0,0,1|2,0,0]=4 2524 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,1,0,0,0,1|2,0,0]=4 2525 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [0,1,0,0,0,1|2,0,0]=4 2526 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [0,1,0,0,0,1|2,0,0]=4 2527 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [0,1,0,0,0,1|2,0,0]=4 2528 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000210063_100000747405 [0,1,0,0,0,1|2,0,0]=4 2529 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000747405_100000210063 [0,1,0,0,0,1|2,0,0]=4 2530 B12R1.27 CCC(=O)CSc1cccnn1 62a_100000747405_100016991348 [0,1,0,0,0,1|2,0,0]=4 2531 B12R1.27 CCC(=O)CSc1cccnn1 62a_100016991348_100000747405 [0,1,0,0,0,1|2,0,0]=4 2532 B12R1.27 CCC(=O)CSc1ccncc1 1458a_100000211328_100000210202 [0,1,0,0,0,1|2,0,0]=4 2533 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000728582_100000747405 [0,1,0,0,0,1|2,0,0]=4 2534 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000747405_100000728582 [0,1,0,0,0,1|2,0,0]=4 2535 B12R1.27 CCC(=O)CSc1ccncn1 62a_100000703185_100000747405 [0,1,0,0,0,1|2,0,0]=4 2536 B12R1.27 CCC(=O)CSc1ccncn1 62a_100000747405_100000703185 [0,1,0,0,0,1|2,0,0]=4 2537 B12R1.27 CCC(=O)CSc1cnccn1 62a_100000211759_100000747405 [0,1,0,0,0,1|2,0,0]=4 2538 B12R1.27 CCC(=O)CSc1cnccn1 62a_100000747405_100000211759 [0,1,0,0,0,1|2,0,0]=4 2539 B12R1.27 CCC(=O)CSc1ncccn1 62a_100000211032_100000747405 [0,1,0,0,0,1|2,0,0]=4 2540 B12R1.27 CCC(=O)CSc1ncccn1 62a_100000747405_100000211032 [0,1,0,0,0,1|2,0,0]=4 2541 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,1,0,0,0,1|2,0,0]=4 2542 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,1,0,0,0,1|2,0,0]=4 2543 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,1,0,0,0,1|2,0,0]=4 2544 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,1,0,0,0,1|2,0,0]=4 2545 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 2546 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 2547 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 2548 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,1,0,0,0,1|2,0,0]=4 2549 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [0,1,0,0,0,1|2,0,0]=4 2550 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [0,1,0,0,0,1|2,0,0]=4 2551 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [0,1,0,0,0,1|2,0,0]=4 2552 B12R1.27 CCC(=O)NCc1cccnn1 11a_100159270163_100000210414 [0,1,0,0,0,1|2,0,0]=4 2553 B12R1.27 CCC(=O)NCc1cccnn1 240690a_100159270163_100000210414 [0,1,0,0,0,1|2,0,0]=4 2554 B12R1.27 CCC(=O)NCc1cccnn1 527a_100159270163_100000210414 [0,1,0,0,0,1|2,0,0]=4 2555 B12R1.27 CCC(=O)NCc1ccncc1 11a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 2556 B12R1.27 CCC(=O)NCc1ccncc1 1626a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 2557 B12R1.27 CCC(=O)NCc1ccncc1 240690a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 2558 B12R1.27 CCC(=O)NCc1ccncc1 527a_100000210450_100000210414 [0,1,0,0,0,1|2,0,0]=4 2559 B12R1.27 CCC(=O)NCc1ccncn1 11a_100000736019_100000210414 [0,1,0,0,0,1|2,0,0]=4 2560 B12R1.27 CCC(=O)NCc1ccncn1 240690a_100000736019_100000210414 [0,1,0,0,0,1|2,0,0]=4 2561 B12R1.27 CCC(=O)NCc1ccncn1 527a_100000736019_100000210414 [0,1,0,0,0,1|2,0,0]=4 2562 B12R1.27 CCC(=O)NCc1cnccn1 11a_100000737960_100000210414 [0,1,0,0,0,1|2,0,0]=4 2563 B12R1.27 CCC(=O)NCc1cnccn1 240690a_100000737960_100000210414 [0,1,0,0,0,1|2,0,0]=4 2564 B12R1.27 CCC(=O)NCc1cnccn1 527a_100000737960_100000210414 [0,1,0,0,0,1|2,0,0]=4 2565 B12R1.27 CCC(=O)NCc1ncccn1 11a_100015189908_100000210414 [0,1,0,0,0,1|2,0,0]=4 2566 B12R1.27 CCC(=O)NCc1ncccn1 240690a_100015189908_100000210414 [0,1,0,0,0,1|2,0,0]=4 2567 B12R1.27 CCC(=O)NCc1ncccn1 527a_100015189908_100000210414 [0,1,0,0,0,1|2,0,0]=4 2568 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,1,0,0,0,1|1,0,0]=3 2569 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,1,0,0,0,1|1,0,0]=3 2570 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,1,0,0,0,1|1,0,0]=3 2571 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,1,0,0,0,1|1,0,0]=3 2572 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,1,0,0,0,1|1,0,0]=3 2573 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,1,0,0,0,1|1,0,0]=3 2574 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,1,0,0,0,1|1,0,0]=3 2575 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,1,0,0,0,1|1,0,0]=3 2576 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,1,0,0,0,1|1,0,0]=3 2577 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,1,0,0,0,1|1,0,0]=3 2578 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,1,0,0,0,1|1,0,0]=3 2579 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,1,0,0,0,1|1,0,0]=3 2580 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,1,0,0,0,1|1,0,0]=3 2581 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,1,0,0,0,1|1,0,0]=3 2582 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,1,0,0,0,1|2,0,0]=4 2583 B12R1.27 CNC(=O)CNc1cccnn1 27a_100000693194_100016991348 [0,1,0,0,0,1|2,0,0]=4 2584 B12R1.27 CNC(=O)CNc1ccncn1 27a_100000693194_100000703185 [0,1,0,0,0,1|2,0,0]=4 2585 B12R1.27 CNC(=O)CNc1cnccn1 27a_100000693194_100000211759 [0,1,0,0,0,1|2,0,0]=4 2586 B12R1.27 CNC(=O)CNc1ncccn1 27a_100000693194_100000211032 [0,1,0,0,0,1|2,0,0]=4 2587 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,1,0,0,0,1|2,0,0]=4 2588 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,1,0,0,0,1|2,0,0]=4 2589 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,1,0,0,0,1|2,0,0]=4 2590 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,1,0,0,0,1|2,0,0]=4 2591 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,1,0,0,0,1|2,0,0]=4 2592 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,1,0,0,0,1|2,0,0]=4 2593 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,1,0,0,0,1|2,0,0]=4 2594 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,1,0,0,0,1|2,0,0]=4 2595 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,1,0,0,0,1|2,0,0]=4 2596 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,1,0,0,0,1|2,0,0]=4 2597 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,1,0,0,0,1|2,0,0]=4 2598 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,1,0,0,0,1|2,0,0]=4 2599 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,1,0,0,0,1|2,0,0]=4 2600 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,1,0,0,0,1|2,0,0]=4 2601 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,1,0,0,0,1|2,0,0]=4 2602 B12R1.27 CNC(=O)COc1ccncc1 34a_100000212176_100000183359 [0,1,0,0,0,1|2,0,0]=4 2603 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,1,0,0,0,1|2,0,0]=4 2604 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,1,0,0,0,1|2,0,0]=4 2605 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,1,0,0,0,1|2,0,0]=4 2606 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,1,0,0,0,1|2,0,0]=4 2607 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,1,0,0,0,1|2,0,0]=4 2608 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,1,0,0,0,1|2,0,0]=4 2609 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,1,0,0,0,1|2,0,0]=4 2610 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,1,0,0,0,1|2,0,0]=4 2611 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,1,0,0,0,1|2,0,0]=4 2612 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,1,0,0,0,1|2,0,0]=4 2613 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,1,0,0,0,1|2,0,0]=4 2614 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000183359_100000210063 [0,1,0,0,0,1|2,0,0]=4 2615 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000210063_100000183359 [0,1,0,0,0,1|2,0,0]=4 2616 B12R1.27 CNC(=O)CSc1cccnn1 62a_100000183359_100016991348 [0,1,0,0,0,1|2,0,0]=4 2617 B12R1.27 CNC(=O)CSc1cccnn1 62a_100016991348_100000183359 [0,1,0,0,0,1|2,0,0]=4 2618 B12R1.27 CNC(=O)CSc1ccncc1 11a_106832991635_100000211328 [0,1,0,0,0,1|2,0,0]=4 2619 B12R1.27 CNC(=O)CSc1ccncc1 1626a_100102657272_100000211328 [0,1,0,0,0,1|2,0,0]=4 2620 B12R1.27 CNC(=O)CSc1ccncc1 240690a_100102657272_100000211328 [0,1,0,0,0,1|2,0,0]=4 2621 B12R1.27 CNC(=O)CSc1ccncc1 527a_100102657272_100000211328 [0,1,0,0,0,1|2,0,0]=4 2622 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000183359_100000728582 [0,1,0,0,0,1|2,0,0]=4 2623 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000728582_100000183359 [0,1,0,0,0,1|2,0,0]=4 2624 B12R1.27 CNC(=O)CSc1ccncn1 62a_100000183359_100000703185 [0,1,0,0,0,1|2,0,0]=4 2625 B12R1.27 CNC(=O)CSc1ccncn1 62a_100000703185_100000183359 [0,1,0,0,0,1|2,0,0]=4 2626 B12R1.27 CNC(=O)CSc1cnccn1 62a_100000183359_100000211759 [0,1,0,0,0,1|2,0,0]=4 2627 B12R1.27 CNC(=O)CSc1cnccn1 62a_100000211759_100000183359 [0,1,0,0,0,1|2,0,0]=4 2628 B12R1.27 CNC(=O)CSc1ncccn1 240690a_100102657272_200000156282 [0,1,0,0,0,1|2,0,0]=4 2629 B12R1.27 CNC(=O)CSc1ncccn1 62a_100000183359_100000211032 [0,1,0,0,0,1|2,0,0]=4 2630 B12R1.27 CNC(=O)CSc1ncccn1 62a_100000211032_100000183359 [0,1,0,0,0,1|2,0,0]=4 2631 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,1,0,0,0,1|2,0,0]=4 2632 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,1,0,0,0,1|2,0,0]=4 2633 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,1,0,0,0,1|2,0,0]=4 2634 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,1,0,0,0,1|2,0,0]=4 2635 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,1,0,0,0,1|2,0,0]=4 2636 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,1,0,0,0,1|2,0,0]=4 2637 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,1,0,0,0,1|2,0,0]=4 2638 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,1,0,0,0,1|2,0,0]=4 2639 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,1,0,0,0,1|2,0,0]=4 2640 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,1,0,0,0,1|2,0,0]=4 2641 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,1,0,0,0,1|2,0,0]=4 2642 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,1,0,0,0,1|2,0,0]=4 2643 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,1,0,0,0,1|2,0,0]=4 2644 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,1,0,0,0,1|2,0,0]=4 2645 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,1,0,0,0,1|2,0,0]=4 2646 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,1,0,0,0,1|2,0,0]=4 2647 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,1,0,0,0,1|2,0,0]=4 2648 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100102657272_100159270163 [0,1,0,0,0,1|2,0,0]=4 2649 B12R1.27 CNC(=O)NCc1cccnn1 2708a_100159270163_106832991635 [0,1,0,0,0,1|2,0,0]=4 2650 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100102657272_100159270163 [0,1,0,0,0,1|2,0,0]=4 2651 B12R1.27 CNC(=O)NCc1cccnn1 273464a_100159270163_100102657272 [0,1,0,0,0,1|2,0,0]=4 2652 B12R1.27 CNC(=O)NCc1cccnn1 512a_100159270163_100102657272 [0,1,0,0,0,1|2,0,0]=4 2653 B12R1.27 CNC(=O)NCc1cccnn1 512a_106832991638_100159270163 [0,1,0,0,0,1|2,0,0]=4 2654 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [0,1,0,0,0,1|2,0,0]=4 2655 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [0,1,0,0,0,1|2,0,0]=4 2656 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [0,1,0,0,0,1|2,0,0]=4 2657 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [0,1,0,0,0,1|2,0,0]=4 2658 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [0,1,0,0,0,1|2,0,0]=4 2659 B12R1.27 CNC(=O)NCc1ccncn1 2708a_100102657272_100000736019 [0,1,0,0,0,1|2,0,0]=4 2660 B12R1.27 CNC(=O)NCc1ccncn1 273464a_100102657272_100000736019 [0,1,0,0,0,1|2,0,0]=4 2661 B12R1.27 CNC(=O)NCc1ccncn1 512a_100000736019_100102657272 [0,1,0,0,0,1|2,0,0]=4 2662 B12R1.27 CNC(=O)NCc1ccncn1 512a_106832991638_100000736019 [0,1,0,0,0,1|2,0,0]=4 2663 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100000737960_106832991635 [0,1,0,0,0,1|2,0,0]=4 2664 B12R1.27 CNC(=O)NCc1cnccn1 2708a_100102657272_100000737960 [0,1,0,0,0,1|2,0,0]=4 2665 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100000737960_100102657272 [0,1,0,0,0,1|2,0,0]=4 2666 B12R1.27 CNC(=O)NCc1cnccn1 273464a_100102657272_100000737960 [0,1,0,0,0,1|2,0,0]=4 2667 B12R1.27 CNC(=O)NCc1cnccn1 512a_100000737960_100102657272 [0,1,0,0,0,1|2,0,0]=4 2668 B12R1.27 CNC(=O)NCc1cnccn1 512a_106832991638_100000737960 [0,1,0,0,0,1|2,0,0]=4 2669 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100015189908_106832991635 [0,1,0,0,0,1|2,0,0]=4 2670 B12R1.27 CNC(=O)NCc1ncccn1 2708a_100102657272_100015189908 [0,1,0,0,0,1|2,0,0]=4 2671 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100015189908_100102657272 [0,1,0,0,0,1|2,0,0]=4 2672 B12R1.27 CNC(=O)NCc1ncccn1 273464a_100102657272_100015189908 [0,1,0,0,0,1|2,0,0]=4 2673 B12R1.27 CNC(=O)NCc1ncccn1 512a_100015189908_100102657272 [0,1,0,0,0,1|2,0,0]=4 2674 B12R1.27 CNC(=O)NCc1ncccn1 512a_106832991638_100015189908 [0,1,0,0,0,1|2,0,0]=4 2675 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,1,0,0,0,1|2,0,0]=4 2676 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,1,0,0,0,1|2,0,0]=4 2677 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,1,0,0,0,1|2,0,0]=4 2678 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,1,0,0,0,1|2,0,0]=4 2679 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,1,0,0,0,1|2,0,0]=4 2680 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,1,0,0,0,1|2,0,0]=4 2681 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,1,0,0,0,1|2,0,0]=4 2682 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,1,0,0,0,1|2,0,0]=4 2683 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,1,0,0,0,1|2,0,0]=4 2684 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,1,0,0,0,1|2,0,0]=4 2685 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [0,1,0,0,0,1|2,0,0]=4 2686 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [0,1,0,0,0,1|2,0,0]=4 2687 B12R1.27 COC(=O)CSc1cccnn1 62a_100000747449_100016991348 [0,1,0,0,0,1|2,0,0]=4 2688 B12R1.27 COC(=O)CSc1cccnn1 62a_100016991348_100000747449 [0,1,0,0,0,1|2,0,0]=4 2689 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [0,1,0,0,0,1|2,0,0]=4 2690 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [0,1,0,0,0,1|2,0,0]=4 2691 B12R1.27 COC(=O)CSc1ccncn1 62a_100000703185_100000747449 [0,1,0,0,0,1|2,0,0]=4 2692 B12R1.27 COC(=O)CSc1ccncn1 62a_100000747449_100000703185 [0,1,0,0,0,1|2,0,0]=4 2693 B12R1.27 COC(=O)CSc1cnccn1 62a_100000211759_100000747449 [0,1,0,0,0,1|2,0,0]=4 2694 B12R1.27 COC(=O)CSc1cnccn1 62a_100000747449_100000211759 [0,1,0,0,0,1|2,0,0]=4 2695 B12R1.27 COC(=O)CSc1ncccn1 62a_100000211032_100000747449 [0,1,0,0,0,1|2,0,0]=4 2696 B12R1.27 COC(=O)CSc1ncccn1 62a_100000747449_100000211032 [0,1,0,0,0,1|2,0,0]=4 2697 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,1,0,0,0,1|1,0,0]=3 2698 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,1,0,0,0,1|1,0,0]=3 2699 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [0,1,0,0,0,1|1,0,0]=3 2700 B12R1.27 O=C(CF)CCc1ccncc1 1458a_100011225043_100015361967 [0,1,0,0,0,1|1,0,0]=3 2701 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,1,0,0,0,1|2,0,0]=4 2702 B12R1.27 O=C(CF)COc1ccccn1 1458a_100102699861_100015361967 [0,1,0,0,0,1|2,0,0]=4 2703 B12R1.27 O=C(CF)COc1cccnc1 1458a_100015207166_100015361967 [0,1,0,0,0,1|2,0,0]=4 2704 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,1,0,0,0,1|2,0,0]=4 2705 B12R1.27 O=C(CF)CSc1ccccn1 1458a_100000156281_100015361967 [0,1,0,0,0,1|2,0,0]=4 2706 B12R1.27 O=C(CF)CSc1ccncc1 1458a_100000211328_100015361967 [0,1,0,0,0,1|2,0,0]=4 2707 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,1,0,0,0,1|1,0,0]=3 2708 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,1,0,0,0,1|1,0,0]=3 2709 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,1,0,0,0,1|1,0,0]=3 2710 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,1,0,0,0,1|1,0,0]=3 2711 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,1,0,0,0,1|2,0,0]=4 2712 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,1,0,0,0,1|2,0,0]=4 2713 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,1,0,0,0,1|2,0,0]=4 2714 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,1,0,0,0,1|2,0,0]=4 2715 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,1,0,0,0,1|2,0,0]=4 2716 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,1,0,0,0,1|2,0,0]=4 2717 B12R1.27 O=C(CO)NCc1cccnn1 240690a_100159270163_100000210174 [0,1,0,0,0,1|2,0,0]=4 2718 B12R1.27 O=C(CO)NCc1cccnn1 527a_100159270163_100000210174 [0,1,0,0,0,1|2,0,0]=4 2719 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,1,0,0,0,1|2,0,0]=4 2720 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,1,0,0,0,1|2,0,0]=4 2721 B12R1.27 O=C(CO)NCc1ccncn1 240690a_100000736019_100000210174 [0,1,0,0,0,1|2,0,0]=4 2722 B12R1.27 O=C(CO)NCc1ccncn1 527a_100000736019_100000210174 [0,1,0,0,0,1|2,0,0]=4 2723 B12R1.27 O=C(CO)NCc1cnccn1 240690a_100000737960_100000210174 [0,1,0,0,0,1|2,0,0]=4 2724 B12R1.27 O=C(CO)NCc1cnccn1 527a_100000737960_100000210174 [0,1,0,0,0,1|2,0,0]=4 2725 B12R1.27 O=C(CO)NCc1ncccn1 240690a_100015189908_100000210174 [0,1,0,0,0,1|2,0,0]=4 2726 B12R1.27 O=C(CO)NCc1ncccn1 527a_100015189908_100000210174 [0,1,0,0,0,1|2,0,0]=4 2727 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,1|1,0,0]=3 2728 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,1|1,0,0]=3 2729 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,0,1|1,0,0]=3 2730 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,0,1|2,0,0]=4 2731 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,0,1|2,0,0]=4 2732 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [0,1,0,0,0,1|2,0,0]=4 2733 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,0,1|2,0,0]=4 2734 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,0,1|2,0,0]=4 2735 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,0,1|2,0,0]=4 2736 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [0,1,0,0,0,1|2,0,0]=4 2737 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [0,1,0,0,0,1|2,0,0]=4 2738 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [0,1,0,0,0,1|2,0,0]=4 2739 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100000210063_100009814033 [0,1,0,0,0,1|2,0,0]=4 2740 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100009814033_100000210063 [0,1,0,0,0,1|2,0,0]=4 2741 B12R1.43 CC(=O)C(C)Sc1cccnn1 62a_100009814033_100016991348 [0,1,0,0,0,1|2,0,0]=4 2742 B12R1.43 CC(=O)C(C)Sc1cccnn1 62a_100016991348_100009814033 [0,1,0,0,0,1|2,0,0]=4 2743 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100000728582_100009814033 [0,1,0,0,0,1|2,0,0]=4 2744 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100009814033_100000728582 [0,1,0,0,0,1|2,0,0]=4 2745 B12R1.43 CC(=O)C(C)Sc1ccncn1 62a_100000703185_100009814033 [0,1,0,0,0,1|2,0,0]=4 2746 B12R1.43 CC(=O)C(C)Sc1ccncn1 62a_100009814033_100000703185 [0,1,0,0,0,1|2,0,0]=4 2747 B12R1.43 CC(=O)C(C)Sc1cnccn1 62a_100000211759_100009814033 [0,1,0,0,0,1|2,0,0]=4 2748 B12R1.43 CC(=O)C(C)Sc1cnccn1 62a_100009814033_100000211759 [0,1,0,0,0,1|2,0,0]=4 2749 B12R1.43 CC(=O)C(C)Sc1ncccn1 62a_100000211032_100009814033 [0,1,0,0,0,1|2,0,0]=4 2750 B12R1.43 CC(=O)C(C)Sc1ncccn1 62a_100009814033_100000211032 [0,1,0,0,0,1|2,0,0]=4 2751 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,1|2,0,0]=4 2752 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,1|2,0,0]=4 2753 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,1|2,0,0]=4 2754 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,1|2,0,0]=4 2755 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [0,1,0,0,0,1|2,0,0]=4 2756 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [0,1,0,0,0,1|2,0,0]=4 2757 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [0,1,0,0,0,1|2,0,0]=4 2758 B12R1.43 CC(=O)N(C)Cc1cccnc1 11a_100000184577_100015343762 [0,1,0,0,0,1|2,0,0]=4 2759 B12R1.43 CC(=O)N(C)Cc1cccnc1 240690a_100000184577_100015343762 [0,1,0,0,0,1|2,0,0]=4 2760 B12R1.43 CC(=O)N(C)Cc1cccnc1 527a_100000184577_100103153847 [0,1,0,0,0,1|2,0,0]=4 2761 B12R1.43 CC(=O)N(C)Cc1ccncc1 11a_100000187231_100015343762 [0,1,0,0,0,1|2,0,0]=4 2762 B12R1.43 CC(=O)N(C)Cc1ccncc1 240690a_100000187231_100015343762 [0,1,0,0,0,1|2,0,0]=4 2763 B12R1.43 CC(=O)N(C)Cc1ccncc1 527a_100000187231_100103153847 [0,1,0,0,0,1|2,0,0]=4 2764 B12R1.43 CC(=O)N(C)Cc1cnccn1 11a_100011269079_100015343762 [0,1,0,0,0,1|2,0,0]=4 2765 B12R1.43 CC(=O)N(C)Cc1cnccn1 240690a_100011269079_100015343762 [0,1,0,0,0,1|2,0,0]=4 2766 B12R1.43 CC(=O)N(C)Cc1cnccn1 527a_100011269079_100103153847 [0,1,0,0,0,1|2,0,0]=4 2767 B12R1.43 CC(=O)N(C)Cc1ncccn1 11a_100025716638_100015343762 [0,1,0,0,0,1|2,0,0]=4 2768 B12R1.43 CC(=O)N(C)Cc1ncccn1 240690a_100025716638_100015343762 [0,1,0,0,0,1|2,0,0]=4 2769 B12R1.43 CC(=O)N(C)Cc1ncccn1 527a_100025716638_100103153847 [0,1,0,0,0,1|2,0,0]=4 2770 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,1|1,0,0]=3 2771 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,1|1,0,0]=3 2772 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,0,1|1,0,0]=3 2773 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,0,1|2,0,0]=4 2774 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,0,1|2,0,0]=4 2775 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [0,1,0,0,0,1|2,0,0]=4 2776 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,1|1,0,0]=3 2777 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,0,1|1,0,1]=4 2778 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,1,0,0,0,1|1,0,1]=4 2779 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,1,0,0,0,1|1,0,1]=4 2780 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,1,0,0,0,1|1,0,1]=4 2781 B12R1.107 CC(=O)CC(=O)c1ncccn1 1458a_100000070787_100020636365 [0,1,0,0,0,1|1,0,1]=4 2782 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,0,1|1,0,0]=3 2783 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,0,1|1,0,0]=3 2784 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,0,1|1,0,0]=3 2785 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,0,1|1,0,0]=3 2786 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,1,0,0,0,1|2,0,0]=4 2787 B12R1.107 CC(=O)CN(C)c1ncccn1 1458a_200000737684_200000210301 [0,1,0,0,0,1|2,0,0]=4 2788 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,0,1|1,0,0]=3 2789 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [0,1,0,0,0,1|2,0,0]=4 2790 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [0,1,0,0,0,1|2,0,0]=4 2791 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [0,1,0,0,0,1|2,0,0]=4 2792 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [0,1,0,0,0,1|2,0,0]=4 2793 B12R1.107 CC(=O)NC(C)c1cccnc1 11a_100000195435_100015343762 [0,1,0,0,0,1|2,0,0]=4 2794 B12R1.107 CC(=O)NC(C)c1cccnc1 240690a_100000195435_100015343762 [0,1,0,0,0,1|2,0,0]=4 2795 B12R1.107 CC(=O)NC(C)c1cccnc1 527a_100000195435_100103153847 [0,1,0,0,0,1|2,0,0]=4 2796 B12R1.107 CC(=O)NC(C)c1ccncc1 240690a_100000181269_100015343762 [0,1,0,0,0,1|2,0,0]=4 2797 B12R1.107 CC(=O)NC(C)c1ccncc1 527a_100000181269_100103153847 [0,1,0,0,0,1|2,0,0]=4 2798 B12R1.107 CC(=O)NC(C)c1ncccn1 11a_100020641698_100015343762 [0,1,0,0,0,1|2,0,0]=4 2799 B12R1.107 CC(=O)NC(C)c1ncccn1 1626a_100020641698_100015343762 [0,1,0,0,0,1|2,0,0]=4 2800 B12R1.107 CC(=O)NC(C)c1ncccn1 240690a_100020641698_100015343762 [0,1,0,0,0,1|2,0,0]=4 2801 B12R1.107 CC(=O)NC(C)c1ncccn1 527a_100020641698_100103153847 [0,1,0,0,0,1|2,0,0]=4 2802 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,0,0,0,1|2,0,0]=4 2803 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,0,0,0,1|2,0,0]=4 2804 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,0,0,0,1|2,0,0]=4 2805 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,0,0,0,1|2,0,0]=4 2806 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 11a_100020589798_100015343762 [0,1,0,0,0,1|2,0,0]=4 2807 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 240690a_100020589798_100015343762 [0,1,0,0,0,1|2,0,0]=4 2808 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 527a_100020589798_100103153847 [0,1,0,0,0,1|2,0,0]=4 2809 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,0,1|1,0,0]=3 2810 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,1,0,0,0,1|2,0,0]=4 2811 B12R1.107 CN(CC(=O)[13CH3])c1ncccn1 1458a_200000737684_200025704644 [0,1,0,0,0,1|2,0,0]=4 2812 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,0,1|1,0,0]=3 2813 B12R1.125 C=C(C)COc1cccoc1=O 34a_100000077404_100000748629 [0,1,0,0,0,1|2,0,0]=4 2814 B12R1.125 C=C(C)COc1cccoc1=O 7a_100000077404_100000748629 [0,1,0,0,0,1|2,0,0]=4 2815 B12R1.125 C=C(C)COc1coccc1=O 34a_100000060831_100000748629 [0,1,0,0,0,1|2,0,0]=4 2816 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,1,0,0,0,1|1,0,0]=3 2817 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,1,0,0,0,1|1,0,0]=3 2818 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,1,0,0,0,1|1,0,0]=3 2819 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,1,0,0,0,1|1,0,0]=3 2820 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,1,0,0,0,1|1,0,0]=3 2821 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,1,0,0,0,1|1,0,0]=3 2822 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,1,0,0,0,1|1,0,0]=3 2823 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,1,0,0,0,1|1,0,0]=3 2824 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,1,0,0,0,1|1,0,0]=3 2825 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,1,0,0,0,1|1,0,0]=3 2826 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,1,0,0,0,1|1,0,0]=3 2827 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [0,1,0,0,0,1|2,0,0]=4 2828 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,1,0,0,0,1|2,0,0]=4 2829 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,1,0,0,0,1|2,0,0]=4 2830 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,1,0,0,0,1|2,0,0]=4 2831 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,1,0,0,0,1|2,0,0]=4 2832 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,1,0,0,0,1|2,0,0]=4 2833 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,1,0,0,0,1|2,0,0]=4 2834 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,1,0,0,0,1|2,0,0]=4 2835 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,1,0,0,0,1|2,0,0]=4 2836 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,1,0,0,0,1|2,0,0]=4 2837 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,1,0,0,0,1|2,0,0]=4 2838 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,1,0,0,0,1|2,0,0]=4 2839 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,1,0,0,0,1|2,0,0]=4 2840 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,1,0,0,0,1|2,0,0]=4 2841 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,1,0,0,0,1|2,0,0]=4 2842 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,1,0,0,0,1|2,0,0]=4 2843 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,1,0,0,0,1|2,0,0]=4 2844 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,1,0,0,0,1|2,0,0]=4 2845 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,1,0,0,0,1|2,0,0]=4 2846 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,1,0,0,0,1|2,0,0]=4 2847 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,1,0,0,0,1|2,0,0]=4 2848 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,1,0,0,0,1|2,0,0]=4 2849 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,1,0,0,0,1|2,0,0]=4 2850 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,1,0,0,0,1|2,0,0]=4 2851 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,1,0,0,0,1|2,0,0]=4 2852 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,1,0,0,0,1|2,0,0]=4 2853 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,1,0,0,0,1|2,0,0]=4 2854 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,1,0,0,0,1|2,0,0]=4 2855 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,1,0,0,0,1|2,0,0]=4 2856 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,1,0,0,0,1|2,0,0]=4 2857 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,1,0,0,0,1|2,0,0]=4 2858 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,1,0,0,0,1|2,0,0]=4 2859 B12R1.125 CC(=O)NCc1cccnc1Br 11a_100009818023_100015343762 [0,1,0,0,0,1|2,0,0]=4 2860 B12R1.125 CC(=O)NCc1cccnc1Br 240690a_100009818023_100015343762 [0,1,0,0,0,1|2,0,0]=4 2861 B12R1.125 CC(=O)NCc1cccnc1Br 527a_100009818023_100103153847 [0,1,0,0,0,1|2,0,0]=4 2862 B12R1.125 CC(=O)NCc1cccnc1Cl 11a_100015189234_100015343762 [0,1,0,0,0,1|2,0,0]=4 2863 B12R1.125 CC(=O)NCc1cccnc1Cl 1626a_100015189234_100015343762 [0,1,0,0,0,1|2,0,0]=4 2864 B12R1.125 CC(=O)NCc1cccnc1Cl 240690a_100015189234_100015343762 [0,1,0,0,0,1|2,0,0]=4 2865 B12R1.125 CC(=O)NCc1cccnc1Cl 527a_100015189234_100103153847 [0,1,0,0,0,1|2,0,0]=4 2866 B12R1.125 CC(=O)NCc1cccnc1F 11a_100000724633_100015343762 [0,1,0,0,0,1|2,0,0]=4 2867 B12R1.125 CC(=O)NCc1cccnc1F 1626a_100000724633_100015343762 [0,1,0,0,0,1|2,0,0]=4 2868 B12R1.125 CC(=O)NCc1cccnc1F 240690a_100000724633_100015343762 [0,1,0,0,0,1|2,0,0]=4 2869 B12R1.125 CC(=O)NCc1cccnc1F 527a_100000724633_100103153847 [0,1,0,0,0,1|2,0,0]=4 2870 B12R1.125 CC(=O)NCc1ccncc1Br 11a_100020640021_100015343762 [0,1,0,0,0,1|2,0,0]=4 2871 B12R1.125 CC(=O)NCc1ccncc1Br 240690a_100020640021_100015343762 [0,1,0,0,0,1|2,0,0]=4 2872 B12R1.125 CC(=O)NCc1ccncc1Br 527a_100020640021_100103153847 [0,1,0,0,0,1|2,0,0]=4 2873 B12R1.125 CC(=O)NCc1ccncc1C 11a_100000708811_100015343762 [0,1,0,0,0,1|2,0,0]=4 2874 B12R1.125 CC(=O)NCc1ccncc1C 1626a_100000708811_100015343762 [0,1,0,0,0,1|2,0,0]=4 2875 B12R1.125 CC(=O)NCc1ccncc1C 240690a_100000708811_100015343762 [0,1,0,0,0,1|2,0,0]=4 2876 B12R1.125 CC(=O)NCc1ccncc1C 527a_100000708811_100103153847 [0,1,0,0,0,1|2,0,0]=4 2877 B12R1.125 CC(=O)NCc1ccncc1F 11a_100011935246_100015343762 [0,1,0,0,0,1|2,0,0]=4 2878 B12R1.125 CC(=O)NCc1ccncc1F 1626a_100011935246_100015343762 [0,1,0,0,0,1|2,0,0]=4 2879 B12R1.125 CC(=O)NCc1ccncc1F 240690a_100011935246_100015343762 [0,1,0,0,0,1|2,0,0]=4 2880 B12R1.125 CC(=O)NCc1ccncc1F 527a_100011935246_100103153847 [0,1,0,0,0,1|2,0,0]=4 2881 B12R1.125 CC(=O)NCc1cnccc1C 11a_100011997553_100015343762 [0,1,0,0,0,1|2,0,0]=4 2882 B12R1.125 CC(=O)NCc1cnccc1C 240690a_100011997553_100015343762 [0,1,0,0,0,1|2,0,0]=4 2883 B12R1.125 CC(=O)NCc1cnccc1C 527a_100011997553_100103153847 [0,1,0,0,0,1|2,0,0]=4 2884 B12R1.125 CC(=O)NCc1ncccc1Br 11a_100020591323_100015343762 [0,1,0,0,0,1|2,0,0]=4 2885 B12R1.125 CC(=O)NCc1ncccc1Br 240690a_100020591323_100015343762 [0,1,0,0,0,1|2,0,0]=4 2886 B12R1.125 CC(=O)NCc1ncccc1Br 527a_100020591323_100103153847 [0,1,0,0,0,1|2,0,0]=4 2887 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [0,1,0,0,0,1|2,0,0]=4 2888 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [0,1,0,0,0,1|2,0,0]=4 2889 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [0,1,0,0,0,1|2,0,0]=4 2890 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [0,1,0,0,0,1|2,0,0]=4 2891 B12R1.125 CC(=O)NCc1ncccc1Cl 11a_100015189233_100015343762 [0,1,0,0,0,1|2,0,0]=4 2892 B12R1.125 CC(=O)NCc1ncccc1Cl 1626a_100015189233_100015343762 [0,1,0,0,0,1|2,0,0]=4 2893 B12R1.125 CC(=O)NCc1ncccc1Cl 240690a_100015189233_100015343762 [0,1,0,0,0,1|2,0,0]=4 2894 B12R1.125 CC(=O)NCc1ncccc1Cl 527a_100015189233_100103153847 [0,1,0,0,0,1|2,0,0]=4 2895 B12R1.125 CC(=O)NCc1ncccc1F 11a_100000690088_100015343762 [0,1,0,0,0,1|2,0,0]=4 2896 B12R1.125 CC(=O)NCc1ncccc1F 1626a_100000690088_100015343762 [0,1,0,0,0,1|2,0,0]=4 2897 B12R1.125 CC(=O)NCc1ncccc1F 240690a_100000690088_100015343762 [0,1,0,0,0,1|2,0,0]=4 2898 B12R1.125 CC(=O)NCc1ncccc1F 527a_100000690088_100103153847 [0,1,0,0,0,1|2,0,0]=4 2899 B12R1.125 CC(=O)NCc1nccnc1C 11a_100020641712_100015343762 [0,1,0,0,0,1|2,0,0]=4 2900 B12R1.125 CC(=O)NCc1nccnc1C 240690a_100020641712_100015343762 [0,1,0,0,0,1|2,0,0]=4 2901 B12R1.125 CC(=O)NCc1nccnc1C 527a_100020641712_100103153847 [0,1,0,0,0,1|2,0,0]=4 2902 B12R1.125 CC(=O)NCc1nccnc1Cl 11a_100000729963_100015343762 [0,1,0,0,0,1|2,0,0]=4 2903 B12R1.125 CC(=O)NCc1nccnc1Cl 240690a_100000729963_100015343762 [0,1,0,0,0,1|2,0,0]=4 2904 B12R1.125 CC(=O)NCc1nccnc1Cl 527a_100000729963_100103153847 [0,1,0,0,0,1|2,0,0]=4 2905 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,1,0,0,0,1|1,0,0]=3 2906 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,1,0,0,0,1|2,0,0]=4 2907 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,1,0,0,0,1|2,0,0]=4 2908 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,1,0,0,0,1|2,0,0]=4 2909 B12R1.125 NC(=O)COc1cccoc1=O 34a_100000077404_100000187820 [0,1,0,0,0,1|2,0,0]=4 2910 B12R1.125 NC(=O)COc1cccoc1=O 7a_100000077404_100000187820 [0,1,0,0,0,1|2,0,0]=4 2911 B12R1.125 NC(=O)COc1coccc1=O 34a_100000060831_100000187820 [0,1,0,0,0,1|2,0,0]=4 2912 B12R1.125 O=C([O-])COc1cccoc1=O 34a_100000077404_100020667443 [0,1,0,0,0,1|2,0,0]=4 2913 B12R1.125 O=C([O-])COc1coccc1=O 34a_100000060831_100020667443 [0,1,0,0,0,1|2,0,0]=4 2914 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,1,0,0,0,1|1,0,0]=3 2915 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,1,0,0,0,1|1,0,0]=3 2916 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,1,0,0,0,1|1,0,0]=3 2917 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,1,0,0,0,1|1,0,0]=3 2918 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,1,0,0,0,1|1,0,0]=3 2919 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [0,1,0,0,0,1|2,0,0]=4 2920 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,1,0,0,0,1|2,0,0]=4 2921 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,1,0,0,0,1|2,0,0]=4 2922 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,1,0,0,0,1|2,0,0]=4 2923 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,1,0,0,0,1|2,0,0]=4 2924 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,1,0,0,0,1|2,0,0]=4 2925 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,1,0,0,0,1|2,0,0]=4 2926 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,1,0,0,0,1|1,0,0]=3 2927 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,1,0,0,0,1|1,0,0]=3 2928 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,1,0,0,0,1|1,0,0]=3 2929 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,1,0,0,0,1|1,0,0]=3 2930 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,1,0,0,0,1|1,0,0]=3 2931 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,1,0,0,0,1|1,0,0]=3 2932 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,1,0,0,0,1|1,0,0]=3 2933 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,1,0,0,0,1|1,0,0]=3 2934 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,1,0,0,0,1|1,0,0]=3 2935 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,1,0,0,0,1|1,0,0]=3 2936 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,1,0,0,0,1|1,0,0]=3 2937 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,1,0,0,0,1|2,0,0]=4 2938 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,1,0,0,0,1|2,0,0]=4 2939 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,1,0,0,0,1|2,0,0]=4 2940 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,1,0,0,0,1|2,0,0]=4 2941 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,1,0,0,0,1|2,0,0]=4 2942 B12R1.226 CC(=O)CSc1nccc(n1)C 1458a_200000179490_200000210301 [0,1,0,0,0,1|2,0,0]=4 2943 B12R1.226 CC(=O)NCc1cc(ccn1)Br 11a_100009818019_100015343762 [0,1,0,0,0,1|2,0,0]=4 2944 B12R1.226 CC(=O)NCc1cc(ccn1)Br 1626a_100009818019_100015343762 [0,1,0,0,0,1|2,0,0]=4 2945 B12R1.226 CC(=O)NCc1cc(ccn1)Br 240690a_100009818019_100015343762 [0,1,0,0,0,1|2,0,0]=4 2946 B12R1.226 CC(=O)NCc1cc(ccn1)Br 527a_100009818019_100103153847 [0,1,0,0,0,1|2,0,0]=4 2947 B12R1.226 CC(=O)NCc1cc(ccn1)C 11a_100011934573_100015343762 [0,1,0,0,0,1|2,0,0]=4 2948 B12R1.226 CC(=O)NCc1cc(ccn1)C 1626a_100011934573_100015343762 [0,1,0,0,0,1|2,0,0]=4 2949 B12R1.226 CC(=O)NCc1cc(ccn1)C 240690a_100011934573_100015343762 [0,1,0,0,0,1|2,0,0]=4 2950 B12R1.226 CC(=O)NCc1cc(ccn1)C 527a_100011934573_100103153847 [0,1,0,0,0,1|2,0,0]=4 2951 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 11a_100000085674_100015343762 [0,1,0,0,0,1|2,0,0]=4 2952 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 1626a_100000085674_100015343762 [0,1,0,0,0,1|2,0,0]=4 2953 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100015343762 [0,1,0,0,0,1|2,0,0]=4 2954 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 527a_100000085674_100103153847 [0,1,0,0,0,1|2,0,0]=4 2955 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 11a_100000696482_100015343762 [0,1,0,0,0,1|2,0,0]=4 2956 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 1626a_100000696482_100015343762 [0,1,0,0,0,1|2,0,0]=4 2957 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 240690a_100000696482_100015343762 [0,1,0,0,0,1|2,0,0]=4 2958 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 527a_100000696482_100103153847 [0,1,0,0,0,1|2,0,0]=4 2959 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,1,0,0,0,1|2,0,0]=4 2960 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,1,0,0,0,1|2,0,0]=4 2961 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,1,0,0,0,1|2,0,0]=4 2962 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,1,0,0,0,1|2,0,0]=4 2963 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,1,0,0,0,1|2,0,0]=4 2964 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,1,0,0,0,1|2,0,0]=4 2965 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,1,0,0,0,1|2,0,0]=4 2966 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,1,0,0,0,1|2,0,0]=4 2967 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,1,0,0,0,1|2,0,0]=4 2968 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,1,0,0,0,1|2,0,0]=4 2969 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,1,0,0,0,1|2,0,0]=4 2970 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,1,0,0,0,1|2,0,0]=4 2971 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,1,0,0,0,1|2,0,0]=4 2972 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,1,0,0,0,1|2,0,0]=4 2973 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,1,0,0,0,1|2,0,0]=4 2974 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,1,0,0,0,1|2,0,0]=4 2975 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,1,0,0,0,1|2,0,0]=4 2976 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,1,0,0,0,1|2,0,0]=4 2977 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,1,0,0,0,1|2,0,0]=4 2978 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,1,0,0,0,1|2,0,0]=4 2979 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,1,0,0,0,1|2,0,0]=4 2980 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,1,0,0,0,1|2,0,0]=4 2981 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,1,0,0,0,1|2,0,0]=4 2982 B12R1.226 CC(=O)NCc1cccc(n1)Br 11a_100016987751_100015343762 [0,1,0,0,0,1|2,0,0]=4 2983 B12R1.226 CC(=O)NCc1cccc(n1)Br 1626a_100016987751_100015343762 [0,1,0,0,0,1|2,0,0]=4 2984 B12R1.226 CC(=O)NCc1cccc(n1)Br 240690a_100016987751_100015343762 [0,1,0,0,0,1|2,0,0]=4 2985 B12R1.226 CC(=O)NCc1cccc(n1)Br 527a_100016987751_100103153847 [0,1,0,0,0,1|2,0,0]=4 2986 B12R1.226 CC(=O)NCc1cccc(n1)C 11a_100000701342_100015343762 [0,1,0,0,0,1|2,0,0]=4 2987 B12R1.226 CC(=O)NCc1cccc(n1)C 1626a_100000701342_100015343762 [0,1,0,0,0,1|2,0,0]=4 2988 B12R1.226 CC(=O)NCc1cccc(n1)C 240690a_100000701342_100015343762 [0,1,0,0,0,1|2,0,0]=4 2989 B12R1.226 CC(=O)NCc1cccc(n1)C 527a_100000701342_100103153847 [0,1,0,0,0,1|2,0,0]=4 2990 B12R1.226 CC(=O)NCc1cccc(n1)Cl 11a_100016990191_100015343762 [0,1,0,0,0,1|2,0,0]=4 2991 B12R1.226 CC(=O)NCc1cccc(n1)Cl 1626a_100016990191_100015343762 [0,1,0,0,0,1|2,0,0]=4 2992 B12R1.226 CC(=O)NCc1cccc(n1)Cl 240690a_100016990191_100015343762 [0,1,0,0,0,1|2,0,0]=4 2993 B12R1.226 CC(=O)NCc1cccc(n1)Cl 527a_100016990191_100103153847 [0,1,0,0,0,1|2,0,0]=4 2994 B12R1.226 CC(=O)NCc1cccc(n1)F 11a_100015188798_100015343762 [0,1,0,0,0,1|2,0,0]=4 2995 B12R1.226 CC(=O)NCc1cccc(n1)F 1626a_100015188798_100015343762 [0,1,0,0,0,1|2,0,0]=4 2996 B12R1.226 CC(=O)NCc1cccc(n1)F 240690a_100015188798_100015343762 [0,1,0,0,0,1|2,0,0]=4 2997 B12R1.226 CC(=O)NCc1cccc(n1)F 527a_100015188798_100103153847 [0,1,0,0,0,1|2,0,0]=4 2998 B12R1.226 CC(=O)NCc1ccnc(c1)Br 11a_100025757509_100015343762 [0,1,0,0,0,1|2,0,0]=4 2999 B12R1.226 CC(=O)NCc1ccnc(c1)Br 240690a_100025757509_100015343762 [0,1,0,0,0,1|2,0,0]=4 3000 B12R1.226 CC(=O)NCc1ccnc(c1)Br 527a_100025757509_100103153847 [0,1,0,0,0,1|2,0,0]=4 3001 B12R1.226 CC(=O)NCc1ccnc(c1)C 11a_100011934566_100015343762 [0,1,0,0,0,1|2,0,0]=4 3002 B12R1.226 CC(=O)NCc1ccnc(c1)C 1626a_100011934566_100015343762 [0,1,0,0,0,1|2,0,0]=4 3003 B12R1.226 CC(=O)NCc1ccnc(c1)C 240690a_100011934566_100015343762 [0,1,0,0,0,1|2,0,0]=4 3004 B12R1.226 CC(=O)NCc1ccnc(c1)C 527a_100011934566_100103153847 [0,1,0,0,0,1|2,0,0]=4 3005 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 11a_100015205668_100015343762 [0,1,0,0,0,1|2,0,0]=4 3006 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 1626a_100015205668_100015343762 [0,1,0,0,0,1|2,0,0]=4 3007 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 240690a_100015205668_100015343762 [0,1,0,0,0,1|2,0,0]=4 3008 B12R1.226 CC(=O)NCc1ccnc(c1)Cl 527a_100015205668_100103153847 [0,1,0,0,0,1|2,0,0]=4 3009 B12R1.226 CC(=O)NCc1ccnc(c1)F 11a_100015188774_100015343762 [0,1,0,0,0,1|2,0,0]=4 3010 B12R1.226 CC(=O)NCc1ccnc(c1)F 1626a_100015188774_100015343762 [0,1,0,0,0,1|2,0,0]=4 3011 B12R1.226 CC(=O)NCc1ccnc(c1)F 240690a_100015188774_100015343762 [0,1,0,0,0,1|2,0,0]=4 3012 B12R1.226 CC(=O)NCc1ccnc(c1)F 527a_100015188774_100103153847 [0,1,0,0,0,1|2,0,0]=4 3013 B12R1.226 CC(=O)NCc1ccnc(c1)O 11a_100000748557_100015343762 [0,1,0,0,0,1|2,0,0]=4 3014 B12R1.226 CC(=O)NCc1ccnc(c1)O 240690a_100000748557_100015343762 [0,1,0,0,0,1|2,0,0]=4 3015 B12R1.226 CC(=O)NCc1ccnc(c1)O 527a_100000748557_100103153847 [0,1,0,0,0,1|2,0,0]=4 3016 B12R1.226 CC(=O)NCc1cncc(c1)Br 11a_100011249555_100015343762 [0,1,0,0,0,1|2,0,0]=4 3017 B12R1.226 CC(=O)NCc1cncc(c1)Br 240690a_100011249555_100015343762 [0,1,0,0,0,1|2,0,0]=4 3018 B12R1.226 CC(=O)NCc1cncc(c1)Br 527a_100011249555_100103153847 [0,1,0,0,0,1|2,0,0]=4 3019 B12R1.226 CC(=O)NCc1cncc(c1)C 11a_100000692839_100015343762 [0,1,0,0,0,1|2,0,0]=4 3020 B12R1.226 CC(=O)NCc1cncc(c1)C 1626a_100000692839_100015343762 [0,1,0,0,0,1|2,0,0]=4 3021 B12R1.226 CC(=O)NCc1cncc(c1)C 240690a_100000692839_100015343762 [0,1,0,0,0,1|2,0,0]=4 3022 B12R1.226 CC(=O)NCc1cncc(c1)C 527a_100000692839_100103153847 [0,1,0,0,0,1|2,0,0]=4 3023 B12R1.226 CC(=O)NCc1cncc(c1)Cl 11a_200020614424_100015343762 [0,1,0,0,0,1|2,0,0]=4 3024 B12R1.226 CC(=O)NCc1cncc(c1)Cl 1626a_200020614424_100015343762 [0,1,0,0,0,1|2,0,0]=4 3025 B12R1.226 CC(=O)NCc1cncc(c1)Cl 240690a_200020614424_100015343762 [0,1,0,0,0,1|2,0,0]=4 3026 B12R1.226 CC(=O)NCc1cncc(c1)Cl 527a_200020614424_100103153847 [0,1,0,0,0,1|2,0,0]=4 3027 B12R1.226 CC(=O)NCc1cncc(c1)F 11a_100011962886_100015343762 [0,1,0,0,0,1|2,0,0]=4 3028 B12R1.226 CC(=O)NCc1cncc(c1)F 1626a_100011962886_100015343762 [0,1,0,0,0,1|2,0,0]=4 3029 B12R1.226 CC(=O)NCc1cncc(c1)F 240690a_100011962886_100015343762 [0,1,0,0,0,1|2,0,0]=4 3030 B12R1.226 CC(=O)NCc1cncc(c1)F 527a_100011962886_100103153847 [0,1,0,0,0,1|2,0,0]=4 3031 B12R1.226 CC(=O)NCc1nccc(n1)C 11a_100015186494_100015343762 [0,1,0,0,0,1|2,0,0]=4 3032 B12R1.226 CC(=O)NCc1nccc(n1)C 1626a_100015186494_100015343762 [0,1,0,0,0,1|2,0,0]=4 3033 B12R1.226 CC(=O)NCc1nccc(n1)C 240690a_100015186494_100015343762 [0,1,0,0,0,1|2,0,0]=4 3034 B12R1.226 CC(=O)NCc1nccc(n1)C 527a_100015186494_100103153847 [0,1,0,0,0,1|2,0,0]=4 3035 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,1,0,0,0,1|1,0,0]=3 3036 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,1,0,0,0,1|2,0,0]=4 3037 B12R1.226 Cc1ccnc(n1)SCC(=O)[13CH3] 1458a_200000179490_200025704644 [0,1,0,0,0,1|2,0,0]=4 3038 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,1,0,0,0,1|2,0,0]=4 3039 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,1,0,0,0,1|1,0,0]=3 3040 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,1,0,0,0,1|1,0,0]=3 3041 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,1,0,0,0,1|1,0,0]=3 3042 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,1,0,0,0,1|1,0,0]=3 3043 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,1,0,0,0,1|1,0,0]=3 3044 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,1,0,0,0,1|2,0,0]=4 3045 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,1,0,0,0,1|2,0,0]=4 3046 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,1,0,0,0,1|2,0,0]=4 3047 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,1,0,0,0,1|2,0,0]=4 3048 B12R1.54 C=C(C)CNC(C)c1cccs1 2230a_100000703493_100000748629 [0,1,0,0,0,1|1,1,0]=4 3049 B12R1.54 C=C(C)CN[C@H](C)c1ccco1 2230a_100160469435_100000748629 [0,1,0,0,0,1|1,0,0]=3 3050 B12R1.54 C=C(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000748629 [0,1,0,0,0,1|1,0,0]=3 3051 B12R1.54 C=C(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000748629 [0,1,0,0,0,1|1,0,0]=3 3052 B12R1.54 C=C(C)CO[C@H](C)c1cccs1 7a_100000750433_100000748629 [0,1,0,0,0,1|1,1,0]=4 3053 B12R1.54 C=C(F)CN[C@H](C)c1ccco1 2230a_100160469435_100009893438 [0,1,0,0,0,1|1,0,1]=4 3054 B12R1.54 C=C(F)CO[C@@H](C)c1ccco1 34a_100000755270_100009893438 [0,1,0,0,0,1|1,0,1]=4 3055 B12R1.54 C=C(F)CO[C@@H](C)c1ccco1 7a_100000755270_100000042424 [0,1,0,0,0,1|1,0,1]=4 3056 B12R1.54 CC(=O)CCC(=O)c1cccs1 1458a_100000070787_100011290775 [0,1,0,0,0,1|0,1,0]=3 3057 B12R1.54 CC(=O)CNC(=O)c1ccco1 1458a_200000183647_200000210301 [0,1,0,0,0,1|0,0,1]=3 3058 B12R1.54 CC(=O)CNC(=O)c1cccs1 1458a_100000183069_200000210301 [0,1,0,0,0,1|0,1,1]=4 3059 B12R1.54 CC(=O)NCC(O)c1ccco1 527a_100000738650_100103153847 [0,1,0,0,0,1|0,0,0]=2 3060 B12R1.54 CC(=O)NCC(O)c1ccsc1 240690a_100000758718_100015343762 [0,1,0,0,0,1|2,0,0]=4 3061 B12R1.54 CC(=O)NCC(O)c1ccsc1 527a_100000758718_100103153847 [0,1,0,0,0,1|2,0,0]=4 3062 B12R1.54 CC(=O)NN=C(C)c1ccco1 4a_100000189765_100000210965 [0,1,0,0,0,1|1,0,1]=4 3063 B12R1.54 CC(=O)NNC(=O)c1ccco1 22a_100000185077_100000070787 [0,1,0,0,0,1|1,0,1]=4 3064 B12R1.54 CC(C)CN[C@H](C)c1ccco1 2230a_100160469435_100000210760 [0,1,0,0,0,1|1,0,1]=4 3065 B12R1.54 CC(C)CN[C@H](C)c1ccco1 270004a_100160469435_100000210432 [0,1,0,0,0,1|1,0,1]=4 3066 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000210624 [0,1,0,0,0,1|1,0,1]=4 3067 B12R1.54 CC(C)CO[C@@H](C)c1ccco1 7a_100000755270_100000210760 [0,1,0,0,0,1|1,0,1]=4 3068 B12R1.54 CC(C)NCC(O)c1ccco1 2230a_100000738650_100000210206 [0,1,0,0,0,1|1,0,1]=4 3069 B12R1.54 CC(NCC(=O)N)c1cccs1 2230a_100000703493_100000747473 [0,1,0,0,0,1|1,1,0]=4 3070 B12R1.54 CC(O)CN[C@H](C)c1ccco1 2230a_100160469435_100011218427 [0,1,0,0,0,1|0,0,2]=4 3071 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 34a_100000755270_100011218427 [0,1,0,0,0,1|0,0,2]=4 3072 B12R1.54 CC(O)CO[C@@H](C)c1ccco1 7a_100000755270_100011218427 [0,1,0,0,0,1|0,0,2]=4 3073 B12R1.54 C[C@@H](NCC(=O)N)c1ccco1 2230a_100160469435_100000747473 [0,1,0,0,0,1|1,0,0]=3 3074 B12R1.54 C[C@@H](O)CN[C@H](C)c1ccco1 2230a_100160469435_100009817552 [0,1,0,0,0,1|0,0,2]=4 3075 B12R1.54 C[C@@H](OCC(=O)N)c1cccs1 7a_100000750433_100000187820 [0,1,0,0,0,1|1,1,0]=4 3076 B12R1.54 C[C@H](OCC(=O)N)c1ccco1 34a_100000755270_100000187820 [0,1,0,0,0,1|1,0,0]=3 3077 B12R1.54 C[C@H](OCC(=O)N)c1ccco1 7a_100000755270_100000187820 [0,1,0,0,0,1|1,0,0]=3 3078 B12R1.54 C[C@H](OCC(=O)[O-])c1ccco1 34a_100000755270_100020667443 [0,1,0,0,0,1|1,0,0]=3 3079 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 34a_100000755270_100009817552 [0,1,0,0,0,1|0,0,2]=4 3080 B12R1.54 C[C@H](OC[C@@H](C)O)c1ccco1 7a_100000755270_100009817552 [0,1,0,0,0,1|0,0,2]=4 3081 B12R1.54 C[C@H](OC[N+](=O)[O-])c1ccco1 34a_100000755270_100000761209 [0,1,0,0,0,1|2,0,0]=4 3082 B12R1.54 [13CH3]C(=O)CNC(=O)c1ccco1 1458a_200000183647_200025704644 [0,1,0,0,0,1|0,0,1]=3 3083 B12R1.54 [13CH3]C(=O)CNC(=O)c1cccs1 1458a_100000183069_200025704644 [0,1,0,0,0,1|0,1,1]=4 3084 B12R1.105 C=C(C)CCSc1cc(cs1)C 62a_100000730704_100009876951 [0,1,0,0,0,1|1,1,0]=4 3085 B12R1.105 C=C(C)CCSc1cc(cs1)C 62a_100009876951_100000730704 [0,1,0,0,0,1|1,1,0]=4 3086 B12R1.105 C=C(C)CCSc1ccc(s1)Br 62a_100000730704_100010197418 [0,1,0,0,0,1|1,1,0]=4 3087 B12R1.105 C=C(C)CCSc1ccc(s1)Br 62a_100010197418_100000730704 [0,1,0,0,0,1|1,1,0]=4 3088 B12R1.105 C=C(C)CCSc1ccc(s1)C 62a_100000031368_100000730704 [0,1,0,0,0,1|1,1,0]=4 3089 B12R1.105 C=C(C)CCSc1ccc(s1)C 62a_100000730704_100000031368 [0,1,0,0,0,1|1,1,0]=4 3090 B12R1.105 C=C(C)CNCc1cc(cs1)Br 2230a_100000741024_100000748629 [0,1,0,0,0,1|1,1,0]=4 3091 B12R1.105 C=C(C)CNCc1cc(cs1)Br 34a_100000741024_100000748629 [0,1,0,0,0,1|1,1,0]=4 3092 B12R1.105 C=C(C)CNCc1cc(cs1)C 2230a_100015204214_100000748629 [0,1,0,0,0,1|1,1,0]=4 3093 B12R1.105 C=C(C)CNCc1cc(cs1)C 34a_100015204214_100000748629 [0,1,0,0,0,1|1,1,0]=4 3094 B12R1.105 C=C(C)CNCc1cc(no1)Br 2230a_100015193020_100000748629 [0,1,0,0,0,1|2,0,0]=4 3095 B12R1.105 C=C(C)CNCc1cc(no1)Br 34a_100015193020_100000748629 [0,1,0,0,0,1|2,0,0]=4 3096 B12R1.105 C=C(C)CNCc1cc(no1)C 2230a_100000745748_100000748629 [0,1,0,0,0,1|2,0,0]=4 3097 B12R1.105 C=C(C)CNCc1cc(no1)C 34a_100000745748_100000748629 [0,1,0,0,0,1|2,0,0]=4 3098 B12R1.105 C=C(C)CNCc1ccc(o1)Br 34a_100000708654_100000748629 [0,1,0,0,0,1|1,0,0]=3 3099 B12R1.105 C=C(C)CNCc1ccc(o1)C 34a_100011194323_100000748629 [0,1,0,0,0,1|1,0,0]=3 3100 B12R1.105 C=C(C)CNCc1ccc(s1)C 2230a_100000238518_100000748629 [0,1,0,0,0,1|1,1,0]=4 3101 B12R1.105 C=C(C)CNCc1ccc(s1)Cl 2230a_100000737310_100000748629 [0,1,0,0,0,1|1,1,0]=4 3102 B12R1.105 C=C(C)CNCc1ncc(o1)C 2230a_100138411809_100000748629 [0,1,0,0,0,1|2,0,0]=4 3103 B12R1.105 C=C(C)CNCc1ncc(o1)C 34a_100138411809_100000748629 [0,1,0,0,0,1|2,0,0]=4 3104 B12R1.105 C=C(C)COCc1cc(cs1)Br 34a_100000210245_100000746031 [0,1,0,0,0,1|1,1,0]=4 3105 B12R1.105 C=C(C)COCc1cc(cs1)Br 34a_100000238369_100000748629 [0,1,0,0,0,1|1,1,0]=4 3106 B12R1.105 C=C(C)COCc1cc(cs1)Br 7a_100000238369_100000748629 [0,1,0,0,0,1|1,1,0]=4 3107 B12R1.105 C=C(C)COCc1cc(cs1)C 34a_200000068372_100000748629 [0,1,0,0,0,1|1,1,0]=4 3108 B12R1.105 C=C(C)COCc1cc(cs1)C 7a_200000068372_100000748629 [0,1,0,0,0,1|1,1,0]=4 3109 B12R1.105 C=C(C)COCc1cc(no1)Br 34a_100009816691_100000748629 [0,1,0,0,0,1|2,0,0]=4 3110 B12R1.105 C=C(C)COCc1cc(no1)C 34a_100000210245_100000707947 [0,1,0,0,0,1|2,0,0]=4 3111 B12R1.105 C=C(C)COCc1cc(no1)C 34a_100000684692_100000748629 [0,1,0,0,0,1|2,0,0]=4 3112 B12R1.105 C=C(C)COCc1ccc(o1)Br 34a_100000246276_100000748629 [0,1,0,0,0,1|1,0,0]=3 3113 B12R1.105 C=C(C)COCc1ccc(o1)Br 7a_100000246276_100000748629 [0,1,0,0,0,1|1,0,0]=3 3114 B12R1.105 C=C(C)COCc1ccc(o1)C 34a_100011232665_100000748629 [0,1,0,0,0,1|1,0,0]=3 3115 B12R1.105 C=C(C)COCc1ccc(o1)C 7a_100011232665_100000748629 [0,1,0,0,0,1|1,0,0]=3 3116 B12R1.105 C=C(C)COCc1ccc(s1)Br 34a_100000210245_100000708592 [0,1,0,0,0,1|1,1,0]=4 3117 B12R1.105 C=C(C)COCc1ccc(s1)C 34a_100000238367_100000748629 [0,1,0,0,0,1|1,1,0]=4 3118 B12R1.105 C=C(C)COCc1ccc(s1)Cl 34a_100000210245_100000185097 [0,1,0,0,0,1|1,1,0]=4 3119 B12R1.105 C=C(C)CSCc1cc(cs1)Br 62a_100000746031_100000211660 [0,1,0,0,0,1|1,1,0]=4 3120 B12R1.105 C=C(C)CSCc1cc(cs1)Br 62a_100000748629_100000746031 [0,1,0,0,0,1|1,1,0]=4 3121 B12R1.105 C=C(C)CSCc1cc(no1)Br 62a_100000709089_100000211660 [0,1,0,0,0,1|2,0,0]=4 3122 B12R1.105 C=C(C)CSCc1cc(no1)Br 62a_100000748629_100000709089 [0,1,0,0,0,1|2,0,0]=4 3123 B12R1.105 C=C(C)CSCc1cc(no1)C 62a_100000707947_100000211660 [0,1,0,0,0,1|2,0,0]=4 3124 B12R1.105 C=C(C)CSCc1cc(no1)C 62a_100000748629_100000707947 [0,1,0,0,0,1|2,0,0]=4 3125 B12R1.105 C=C(C)CSCc1ccc(s1)Br 62a_100000708592_100000211660 [0,1,0,0,0,1|1,1,0]=4 3126 B12R1.105 C=C(C)CSCc1ccc(s1)Br 62a_100000748629_100000708592 [0,1,0,0,0,1|1,1,0]=4 3127 B12R1.105 C=C(C)CSCc1ccc(s1)Cl 62a_100000185097_100000211660 [0,1,0,0,0,1|1,1,0]=4 3128 B12R1.105 C=C(C)CSCc1ccc(s1)Cl 62a_100000748629_100000185097 [0,1,0,0,0,1|1,1,0]=4 3129 B12R1.105 C=C(F)CNCc1ccc(o1)Br 34a_100000708654_100009893438 [0,1,0,0,0,1|1,0,1]=4 3130 B12R1.105 C=C(F)CNCc1ccc(o1)C 34a_100011194323_100009893438 [0,1,0,0,0,1|1,0,1]=4 3131 B12R1.105 C=C(F)COCc1ccc(o1)Br 34a_100000246276_100009893438 [0,1,0,0,0,1|1,0,1]=4 3132 B12R1.105 C=C(F)COCc1ccc(o1)Br 7a_100000246276_100000042424 [0,1,0,0,0,1|1,0,1]=4 3133 B12R1.105 C=C(F)COCc1ccc(o1)C 34a_100011232665_100009893438 [0,1,0,0,0,1|1,0,1]=4 3134 B12R1.105 C=C(F)COCc1ccc(o1)C 7a_100011232665_100000042424 [0,1,0,0,0,1|1,0,1]=4 3135 B12R1.105 CC(=O)CCCn1cc(cn1)C 1458a_100000070787_200015186932 [0,1,0,0,0,1|2,0,0]=4 3136 B12R1.105 CC(=O)CCSc1c[nH]c(n1)C 62a_100000053229_100009814057 [0,1,0,0,0,1|2,0,0]=4 3137 B12R1.105 CC(=O)CCSc1c[nH]c(n1)C 62a_100009814057_100000053229 [0,1,0,0,0,1|2,0,0]=4 3138 B12R1.105 CC(=O)CCSc1cc([nH]n1)C 62a_100000053229_100009819999 [0,1,0,0,0,1|2,0,0]=4 3139 B12R1.105 CC(=O)CCSc1cc([nH]n1)C 62a_100009819999_100000053229 [0,1,0,0,0,1|2,0,0]=4 3140 B12R1.105 CC(=O)CCSc1cc([nH]n1)N 62a_100000053229_100009822546 [0,1,0,0,0,1|2,0,0]=4 3141 B12R1.105 CC(=O)CCSc1cc([nH]n1)N 62a_100009822546_100000053229 [0,1,0,0,0,1|2,0,0]=4 3142 B12R1.105 CC(=O)CCSc1cc(cs1)C 62a_100000053229_100009876951 [0,1,0,0,0,1|0,1,0]=3 3143 B12R1.105 CC(=O)CCSc1cc(cs1)C 62a_100009876951_100000053229 [0,1,0,0,0,1|0,1,0]=3 3144 B12R1.105 CC(=O)CCSc1cc(n[nH]1)Br 62a_100000053229_100160470719 [0,1,0,0,0,1|2,0,0]=4 3145 B12R1.105 CC(=O)CCSc1cc(n[nH]1)Br 62a_100160470719_100000053229 [0,1,0,0,0,1|2,0,0]=4 3146 B12R1.105 CC(=O)CCSc1cc(ns1)C 62a_100000053229_100009815735 [0,1,0,0,0,1|1,1,0]=4 3147 B12R1.105 CC(=O)CCSc1cc(ns1)C 62a_100009815735_100000053229 [0,1,0,0,0,1|1,1,0]=4 3148 B12R1.105 CC(=O)CCSc1cc(on1)C 62a_100000053229_100000716708 [0,1,0,0,0,1|2,0,0]=4 3149 B12R1.105 CC(=O)CCSc1cc(on1)C 62a_100000716708_100000053229 [0,1,0,0,0,1|2,0,0]=4 3150 B12R1.105 CC(=O)CCSc1ccc(s1)Br 62a_100000053229_100010197418 [0,1,0,0,0,1|0,1,0]=3 3151 B12R1.105 CC(=O)CCSc1ccc(s1)Br 62a_100010197418_100000053229 [0,1,0,0,0,1|0,1,0]=3 3152 B12R1.105 CC(=O)CCSc1ccc(s1)C 62a_100000031368_100000053229 [0,1,0,0,0,1|0,1,0]=3 3153 B12R1.105 CC(=O)CCSc1ccc(s1)C 62a_100000053229_100000031368 [0,1,0,0,0,1|0,1,0]=3 3154 B12R1.105 CC(=O)CCSc1ccn(n1)C 62a_100000053229_100000752436 [0,1,0,0,0,1|2,0,0]=4 3155 B12R1.105 CC(=O)CCSc1ccn(n1)C 62a_100000752436_100000053229 [0,1,0,0,0,1|2,0,0]=4 3156 B12R1.105 CC(=O)CCSc1cn(cn1)C 62a_100000040308_100000053229 [0,1,0,0,0,1|2,0,0]=4 3157 B12R1.105 CC(=O)CCSc1cn(cn1)C 62a_100000053229_100000040308 [0,1,0,0,0,1|2,0,0]=4 3158 B12R1.105 CC(=O)CCSc1cnc(s1)Br 62a_100000053229_100012357534 [0,1,0,0,0,1|1,1,0]=4 3159 B12R1.105 CC(=O)CCSc1cnc(s1)Br 62a_100012357534_100000053229 [0,1,0,0,0,1|1,1,0]=4 3160 B12R1.105 CC(=O)CCSc1cnc(s1)C 62a_100000053229_100000764884 [0,1,0,0,0,1|1,1,0]=4 3161 B12R1.105 CC(=O)CCSc1cnc(s1)C 62a_100000764884_100000053229 [0,1,0,0,0,1|1,1,0]=4 3162 B12R1.105 CC(=O)CCSc1cnc(s1)N 62a_100000053229_100000718969 [0,1,0,0,0,1|1,1,0]=4 3163 B12R1.105 CC(=O)CCSc1cnc(s1)N 62a_100000718969_100000053229 [0,1,0,0,0,1|1,1,0]=4 3164 B12R1.105 CC(=O)CCSc1csc(c1)C 62a_100000053229_100000759034 [0,1,0,0,0,1|2,0,0]=4 3165 B12R1.105 CC(=O)CCSc1csc(c1)C 62a_100000759034_100000053229 [0,1,0,0,0,1|2,0,0]=4 3166 B12R1.105 CC(=O)CCSc1csc(n1)C 62a_100000053229_100011934587 [0,1,0,0,0,1|2,0,0]=4 3167 B12R1.105 CC(=O)CCSc1csc(n1)C 62a_100011934587_100000053229 [0,1,0,0,0,1|2,0,0]=4 3168 B12R1.105 CC(=O)CCSc1csc(n1)N 62a_100000053229_100011998049 [0,1,0,0,0,1|2,0,0]=4 3169 B12R1.105 CC(=O)CCSc1csc(n1)N 62a_100011998049_100000053229 [0,1,0,0,0,1|2,0,0]=4 3170 B12R1.105 CC(=O)CCSc1nc(c[nH]1)C 62a_100000053229_100161115468 [0,1,0,0,0,1|2,0,0]=4 3171 B12R1.105 CC(=O)CCSc1nc(c[nH]1)C 62a_100161115468_100000053229 [0,1,0,0,0,1|2,0,0]=4 3172 B12R1.105 CC(=O)CCSc1nc(cs1)Br 62a_100000053229_200016082925 [0,1,0,0,0,1|1,1,0]=4 3173 B12R1.105 CC(=O)CCSc1nc(cs1)Br 62a_200016082925_100000053229 [0,1,0,0,0,1|1,1,0]=4 3174 B12R1.105 CC(=O)CCSc1nc(cs1)C 62a_100000053229_100011291629 [0,1,0,0,0,1|1,1,0]=4 3175 B12R1.105 CC(=O)CCSc1nc(cs1)C 62a_100011291629_100000053229 [0,1,0,0,0,1|1,1,0]=4 3176 B12R1.105 CC(=O)CCSc1nc(cs1)N 62a_100000053229_200015188442 [0,1,0,0,0,1|1,1,0]=4 3177 B12R1.105 CC(=O)CCSc1nc(cs1)N 62a_200015188442_100000053229 [0,1,0,0,0,1|1,1,0]=4 3178 B12R1.105 CC(=O)CCSc1ncc(s1)C 62a_100000053229_100000690809 [0,1,0,0,0,1|1,1,0]=4 3179 B12R1.105 CC(=O)CCSc1ncc(s1)C 62a_100000690809_100000053229 [0,1,0,0,0,1|1,1,0]=4 3180 B12R1.105 CC(=O)CCSc1nnc(o1)C 62a_100000053229_100000708914 [0,1,0,0,0,1|2,0,0]=4 3181 B12R1.105 CC(=O)COCC1=CC(=O)OC1 34a_100000211253_100000716558 [0,1,0,0,0,1|2,0,0]=4 3182 B12R1.105 CC(=O)COCc1cc(cs1)Br 34a_100000211253_100000746031 [0,1,0,0,0,1|0,1,0]=3 3183 B12R1.105 CC(=O)COCc1cc(no1)C 34a_100000211253_100000707947 [0,1,0,0,0,1|1,0,0]=3 3184 B12R1.105 CC(=O)COCc1cc(on1)C 34a_100000211253_100000199038 [0,1,0,0,0,1|2,0,0]=4 3185 B12R1.105 CC(=O)COCc1ccc(s1)Br 34a_100000211253_100000708592 [0,1,0,0,0,1|0,1,0]=3 3186 B12R1.105 CC(=O)COCc1ccc(s1)Cl 34a_100000211253_100000185097 [0,1,0,0,0,1|0,1,0]=3 3187 B12R1.105 CC(=O)COCc1ccn(n1)C 34a_100000211253_100000726502 [0,1,0,0,0,1|2,0,0]=4 3188 B12R1.105 CC(=O)COCc1cn(cn1)C 34a_100000211253_100000717665 [0,1,0,0,0,1|2,0,0]=4 3189 B12R1.105 CC(=O)COCc1cnc(s1)Br 34a_100000211253_100000717027 [0,1,0,0,0,1|1,1,0]=4 3190 B12R1.105 CC(=O)COCc1cnc(s1)C 34a_100000211253_100020635045 [0,1,0,0,0,1|1,1,0]=4 3191 B12R1.105 CC(=O)COCc1cnc(s1)Cl 34a_100000211253_100000058068 [0,1,0,0,0,1|1,1,0]=4 3192 B12R1.105 CC(=O)COCc1csc(n1)C 34a_100000211253_100015186478 [0,1,0,0,0,1|2,0,0]=4 3193 B12R1.105 CC(=O)COCc1csc(n1)Cl 34a_100000211253_100000024076 [0,1,0,0,0,1|2,0,0]=4 3194 B12R1.105 CC(=O)COCc1nc(no1)C 34a_100000211253_100000735555 [0,1,0,0,0,1|2,0,0]=4 3195 B12R1.105 CC(=O)CSCc1ccc(s1)Cl 1458a_100000150175_200000210301 [0,1,0,0,0,1|0,1,0]=3 3196 B12R1.105 CC(=O)CSCc1csc(n1)C 1458a_100000150240_200000210301 [0,1,0,0,0,1|2,0,0]=4 3197 B12R1.105 CC(=O)NCCc1ccc(o1)C 11a_100000739271_100015343762 [0,1,0,0,0,1|0,0,0]=2 3198 B12R1.105 CC(=O)NCCc1ccc(o1)C 1626a_100000739271_100015343762 [0,1,0,0,0,1|0,0,0]=2 3199 B12R1.105 CC(=O)NCCc1ccc(o1)C 527a_100000739271_100103153847 [0,1,0,0,0,1|0,0,0]=2 3200 B12R1.105 CC(=O)NCCc1ccc(s1)Br 11a_100000217605_100015343762 [0,1,0,0,0,1|0,1,0]=3 3201 B12R1.105 CC(=O)NCCc1ccc(s1)Br 1626a_100000217605_100015343762 [0,1,0,0,0,1|0,1,0]=3 3202 B12R1.105 CC(=O)NCCc1ccc(s1)Br 240690a_100000217605_100015343762 [0,1,0,0,0,1|0,1,0]=3 3203 B12R1.105 CC(=O)NCCc1ccc(s1)Br 527a_100000217605_100103153847 [0,1,0,0,0,1|0,1,0]=3 3204 B12R1.105 CC(=O)NCCc1cn(cn1)C 11a_106430523030_100015343762 [0,1,0,0,0,1|2,0,0]=4 3205 B12R1.105 CC(=O)NCCc1cn(cn1)C 1626a_106430523030_100015343762 [0,1,0,0,0,1|2,0,0]=4 3206 B12R1.105 CC(=O)NCCc1cn(cn1)C 240690a_106430523030_100015343762 [0,1,0,0,0,1|2,0,0]=4 3207 B12R1.105 CC(=O)NCCc1cn(cn1)C 527a_106430523030_100103153847 [0,1,0,0,0,1|2,0,0]=4 3208 B12R1.105 CC(=O)NCCc1csc(n1)C 1626a_102495365028_100015343762 [0,1,0,0,0,1|2,0,0]=4 3209 B12R1.105 CC(=O)NCCc1csc(n1)C 240690a_102495365028_100015343762 [0,1,0,0,0,1|2,0,0]=4 3210 B12R1.105 CC(=O)NCCc1csc(n1)C 527a_102495365028_100103153847 [0,1,0,0,0,1|2,0,0]=4 3211 B12R1.105 CC(=O)NCCc1nc(cs1)C 11a_100000736835_100015343762 [0,1,0,0,0,1|1,1,0]=4 3212 B12R1.105 CC(=O)NCCc1nc(cs1)C 1626a_100000736835_100015343762 [0,1,0,0,0,1|1,1,0]=4 3213 B12R1.105 CC(=O)NCCc1nc(cs1)C 240690a_100000736835_100015343762 [0,1,0,0,0,1|1,1,0]=4 3214 B12R1.105 CC(=O)NCCc1nc(cs1)C 527a_100000736835_100103153847 [0,1,0,0,0,1|1,1,0]=4 3215 B12R1.105 CC(=O)NCCc1nc(no1)C 11a_100000747544_100015343762 [0,1,0,0,0,1|2,0,0]=4 3216 B12R1.105 CC(=O)NCCc1nc(no1)C 240690a_100000747544_100015343762 [0,1,0,0,0,1|2,0,0]=4 3217 B12R1.105 CC(=O)NCCc1nc(no1)C 270196a_100000212224_100000183196 [0,1,0,0,0,1|2,0,0]=4 3218 B12R1.105 CC(=O)NCCc1nc(no1)C 527a_100000747544_100103153847 [0,1,0,0,0,1|2,0,0]=4 3219 B12R1.105 CC(=O)NCCn1cc(cn1)Br 11a_100000730845_100015343762 [0,1,0,0,0,1|2,0,0]=4 3220 B12R1.105 CC(=O)NCCn1cc(cn1)Br 240690a_100000730845_100015343762 [0,1,0,0,0,1|2,0,0]=4 3221 B12R1.105 CC(=O)NCCn1cc(cn1)Br 527a_100000730845_100103153847 [0,1,0,0,0,1|2,0,0]=4 3222 B12R1.105 CC(=O)NCCn1cc(cn1)Cl 11a_200000238484_100015343762 [0,1,0,0,0,1|2,0,0]=4 3223 B12R1.105 CC(=O)NCCn1cc(cn1)Cl 1626a_200000238484_100015343762 [0,1,0,0,0,1|2,0,0]=4 3224 B12R1.105 CC(=O)NCCn1cc(cn1)Cl 240690a_200000238484_100015343762 [0,1,0,0,0,1|2,0,0]=4 3225 B12R1.105 CC(=O)NCCn1cc(cn1)Cl 527a_200000238484_100103153847 [0,1,0,0,0,1|2,0,0]=4 3226 B12R1.105 CC(=O)NCCn1cc(cn1)I 11a_100000721286_100015343762 [0,1,0,0,0,1|2,0,0]=4 3227 B12R1.105 CC(=O)NCCn1cc(cn1)I 1626a_100000721286_100015343762 [0,1,0,0,0,1|2,0,0]=4 3228 B12R1.105 CC(=O)NCCn1cc(cn1)I 240690a_100000721286_100015343762 [0,1,0,0,0,1|2,0,0]=4 3229 B12R1.105 CC(=O)NCCn1cc(cn1)I 527a_100000721286_100103153847 [0,1,0,0,0,1|2,0,0]=4 3230 B12R1.105 CC(=O)NN=Cc1cc(co1)Br 4a_100000189765_100000747035 [0,1,0,0,0,1|1,0,1]=4 3231 B12R1.105 CC(=O)NN=Cc1ccc(o1)Br 4a_100000189765_100000185145 [0,1,0,0,0,1|1,0,1]=4 3232 B12R1.105 CC(=O)NN=Cc1ccc(o1)C 4a_100000189765_100000183696 [0,1,0,0,0,1|1,0,1]=4 3233 B12R1.105 CC(=O)NN=Cc1ccc(o1)Cl 4a_100000189765_100000188459 [0,1,0,0,0,1|1,0,1]=4 3234 B12R1.105 CC(=O)NN=Cc1ccc(o1)I 4a_100000189765_100000186757 [0,1,0,0,0,1|1,0,1]=4 3235 B12R1.105 CC(=O)OCSc1cc(cs1)C 62a_100000076356_100009876951 [0,1,0,0,0,1|1,1,0]=4 3236 B12R1.105 CC(=O)OCSc1cc(cs1)C 62a_100009876951_100000076356 [0,1,0,0,0,1|1,1,0]=4 3237 B12R1.105 CC(=O)OCSc1ccc(s1)Br 62a_100000076356_100010197418 [0,1,0,0,0,1|1,1,0]=4 3238 B12R1.105 CC(=O)OCSc1ccc(s1)Br 62a_100010197418_100000076356 [0,1,0,0,0,1|1,1,0]=4 3239 B12R1.105 CC(=O)OCSc1ccc(s1)C 62a_100000031368_100000076356 [0,1,0,0,0,1|1,1,0]=4 3240 B12R1.105 CC(=O)OCSc1ccc(s1)C 62a_100000076356_100000031368 [0,1,0,0,0,1|1,1,0]=4 3241 B12R1.105 CC(=O)SCCc1nc(no1)C 270196a_100000212224_100000048949 [0,1,0,0,0,1|2,0,0]=4 3242 B12R1.105 CC(C)CNCc1cc(co1)Br 270004a_100000210953_100000747035 [0,1,0,0,0,1|1,0,1]=4 3243 B12R1.105 CC(C)CNCc1ccc(o1)Br 207a_100000210953_100000185145 [0,1,0,0,0,1|1,0,1]=4 3244 B12R1.105 CC(C)CNCc1ccc(o1)Br 270004a_100000210953_100000185145 [0,1,0,0,0,1|1,0,1]=4 3245 B12R1.105 CC(C)CNCc1ccc(o1)Br 270004a_100000708654_100000210432 [0,1,0,0,0,1|1,0,1]=4 3246 B12R1.105 CC(C)CNCc1ccc(o1)Br 34a_100000708654_100000210624 [0,1,0,0,0,1|1,0,1]=4 3247 B12R1.105 CC(C)CNCc1ccc(o1)Cl 207a_100000210953_100000188459 [0,1,0,0,0,1|1,0,1]=4 3248 B12R1.105 CC(C)CNCc1ccc(o1)Cl 270004a_100000210953_100000188459 [0,1,0,0,0,1|1,0,1]=4 3249 B12R1.105 CC(C)CNCc1ccc(o1)I 207a_100000210953_100000186757 [0,1,0,0,0,1|1,0,1]=4 3250 B12R1.105 CC(C)COCc1ccc(o1)Br 34a_100000246276_100000210624 [0,1,0,0,0,1|1,0,1]=4 3251 B12R1.105 CC(C)COCc1ccc(o1)Br 7a_100000246276_100000210760 [0,1,0,0,0,1|1,0,1]=4 3252 B12R1.105 CC(O)CNCc1cc(co1)Br 270004a_100000210904_100000747035 [0,1,0,0,0,1|0,0,2]=4 3253 B12R1.105 CC(O)CNCc1ccc(o1)Br 207a_100000210904_100000185145 [0,1,0,0,0,1|0,0,2]=4 3254 B12R1.105 CC(O)CNCc1ccc(o1)Br 270004a_100000210904_100000185145 [0,1,0,0,0,1|0,0,2]=4 3255 B12R1.105 CC(O)CNCc1ccc(o1)Br 34a_100000708654_100011218427 [0,1,0,0,0,1|0,0,2]=4 3256 B12R1.105 CC(O)CNCc1ccc(o1)Cl 207a_100000210904_100000188459 [0,1,0,0,0,1|0,0,2]=4 3257 B12R1.105 CC(O)CNCc1ccc(o1)Cl 270004a_100000210904_100000188459 [0,1,0,0,0,1|0,0,2]=4 3258 B12R1.105 CC(O)CNCc1ccc(o1)I 207a_100000210904_100000186757 [0,1,0,0,0,1|0,0,2]=4 3259 B12R1.105 CC(O)COCc1ccc(o1)Br 34a_100000246276_100011218427 [0,1,0,0,0,1|0,0,2]=4 3260 B12R1.105 CC(O)COCc1ccc(o1)Br 7a_100000246276_100011218427 [0,1,0,0,0,1|0,0,2]=4 3261 B12R1.105 C[C@@H](O)CNCc1ccc(o1)Br 34a_100000708654_100009817552 [0,1,0,0,0,1|0,0,2]=4 3262 B12R1.105 C[C@@H](O)COCc1ccc(o1)Br 34a_100000246276_100009817552 [0,1,0,0,0,1|0,0,2]=4 3263 B12R1.105 C[C@@H](O)COCc1ccc(o1)Br 7a_100000246276_100009817552 [0,1,0,0,0,1|0,0,2]=4 3264 B12R1.105 Cc1cc(on1)CNCC(=O)N 2230a_100000711301_100000707947 [0,1,0,0,0,1|2,0,0]=4 3265 B12R1.105 Cc1cc(on1)CNCC(=O)N 2230a_100000745748_100000747473 [0,1,0,0,0,1|2,0,0]=4 3266 B12R1.105 Cc1cc(on1)CNCC(=O)N 34a_100000745748_100000187820 [0,1,0,0,0,1|2,0,0]=4 3267 B12R1.105 Cc1cc(on1)CNCC(=O)O 269956a_100016091260_100000707947 [0,1,0,0,0,1|2,0,0]=4 3268 B12R1.105 Cc1cc(on1)CNCC(=O)[O-] 34a_100000745748_100020667443 [0,1,0,0,0,1|2,0,0]=4 3269 B12R1.105 Cc1cc(on1)COCC(=O)N 34a_100000684692_100000187820 [0,1,0,0,0,1|2,0,0]=4 3270 B12R1.105 Cc1cc(on1)COCC(=O)[O-] 34a_100000684692_100020667443 [0,1,0,0,0,1|2,0,0]=4 3271 B12R1.105 Cc1cc(on1)CSCC(=O)N 62a_100000707947_100000747473 [0,1,0,0,0,1|2,0,0]=4 3272 B12R1.105 Cc1cc(on1)CSCC(=O)N 62a_100000747473_100000707947 [0,1,0,0,0,1|2,0,0]=4 3273 B12R1.105 Cc1cc(on1)CSCC(=O)[O-] 62a_100000707947_100020667443 [0,1,0,0,0,1|2,0,0]=4 3274 B12R1.105 Cc1cc(on1)CSCC(=O)[O-] 62a_100020667443_100000707947 [0,1,0,0,0,1|2,0,0]=4 3275 B12R1.105 Cc1ccc(o1)CCNC(C)C 2230a_100000739271_100000210206 [0,1,0,0,0,1|1,0,1]=4 3276 B12R1.105 Cc1ccc(o1)CCNC(C)C 34a_100000739271_100000210206 [0,1,0,0,0,1|1,0,1]=4 3277 B12R1.105 Cc1ccc(o1)CCOC(C)C 34a_100012161071_100000210206 [0,1,0,0,0,1|1,0,1]=4 3278 B12R1.105 Cc1ccc(o1)CCOC(C)C 7a_100012161071_100000210206 [0,1,0,0,0,1|1,0,1]=4 3279 B12R1.105 Cc1ccc(o1)CNCC(=O)N 34a_100011194323_100000187820 [0,1,0,0,0,1|1,0,0]=3 3280 B12R1.105 Cc1ccc(o1)CNCC(=O)[O-] 34a_100011194323_100020667443 [0,1,0,0,0,1|1,0,0]=3 3281 B12R1.105 Cc1ccc(o1)CNCC(C)C 207a_100000210953_100000183696 [0,1,0,0,0,1|1,0,1]=4 3282 B12R1.105 Cc1ccc(o1)CNCC(C)C 270004a_100000210953_100000183696 [0,1,0,0,0,1|1,0,1]=4 3283 B12R1.105 Cc1ccc(o1)CNCC(C)C 270004a_100011194323_100000210432 [0,1,0,0,0,1|1,0,1]=4 3284 B12R1.105 Cc1ccc(o1)CNCC(C)C 34a_100011194323_100000210624 [0,1,0,0,0,1|1,0,1]=4 3285 B12R1.105 Cc1ccc(o1)CNCC(C)O 207a_100000210904_100000183696 [0,1,0,0,0,1|0,0,2]=4 3286 B12R1.105 Cc1ccc(o1)CNCC(C)O 270004a_100000210904_100000183696 [0,1,0,0,0,1|0,0,2]=4 3287 B12R1.105 Cc1ccc(o1)CNCC(C)O 34a_100011194323_100011218427 [0,1,0,0,0,1|0,0,2]=4 3288 B12R1.105 Cc1ccc(o1)CNC[C@@H](C)O 34a_100011194323_100009817552 [0,1,0,0,0,1|0,0,2]=4 3289 B12R1.105 Cc1ccc(o1)CNC[N+](=O)[O-] 34a_100011194323_100000761209 [0,1,0,0,0,1|2,0,0]=4 3290 B12R1.105 Cc1ccc(o1)COCC(=O)N 34a_100011232665_100000187820 [0,1,0,0,0,1|1,0,0]=3 3291 B12R1.105 Cc1ccc(o1)COCC(=O)N 7a_100011232665_100000187820 [0,1,0,0,0,1|1,0,0]=3 3292 B12R1.105 Cc1ccc(o1)COCC(=O)[O-] 34a_100011232665_100020667443 [0,1,0,0,0,1|1,0,0]=3 3293 B12R1.105 Cc1ccc(o1)COCC(C)C 34a_100011232665_100000210624 [0,1,0,0,0,1|1,0,1]=4 3294 B12R1.105 Cc1ccc(o1)COCC(C)C 7a_100011232665_100000210760 [0,1,0,0,0,1|1,0,1]=4 3295 B12R1.105 Cc1ccc(o1)COCC(C)O 34a_100011232665_100011218427 [0,1,0,0,0,1|0,0,2]=4 3296 B12R1.105 Cc1ccc(o1)COCC(C)O 7a_100011232665_100011218427 [0,1,0,0,0,1|0,0,2]=4 3297 B12R1.105 Cc1ccc(o1)COC[C@@H](C)O 34a_100011232665_100009817552 [0,1,0,0,0,1|0,0,2]=4 3298 B12R1.105 Cc1ccc(o1)COC[C@@H](C)O 7a_100011232665_100009817552 [0,1,0,0,0,1|0,0,2]=4 3299 B12R1.105 Cc1ccc(o1)COC[N+](=O)[O-] 34a_100011232665_100000761209 [0,1,0,0,0,1|2,0,0]=4 3300 B12R1.105 Cc1ccc(s1)CNCC(=O)N 2230a_100000238518_100000747473 [0,1,0,0,0,1|1,1,0]=4 3301 B12R1.105 Cc1ccc(s1)COCC(=O)N 34a_100000238367_100000187820 [0,1,0,0,0,1|1,1,0]=4 3302 B12R1.105 Cc1ccc(s1)COCC(=O)[O-] 34a_100000238367_100020667443 [0,1,0,0,0,1|1,1,0]=4 3303 B12R1.105 Cc1ccc(s1)SCCC(=O)N 62a_100000031368_100000744528 [0,1,0,0,0,1|1,1,0]=4 3304 B12R1.105 Cc1ccc(s1)SCCC(=O)N 62a_100000744528_100000031368 [0,1,0,0,0,1|1,1,0]=4 3305 B12R1.105 Cc1cnc(o1)CNCC(=O)N 2230a_100138411809_100000747473 [0,1,0,0,0,1|2,0,0]=4 3306 B12R1.105 Cc1cnc(o1)CNCC(=O)N 34a_100138411809_100000187820 [0,1,0,0,0,1|2,0,0]=4 3307 B12R1.105 Cc1cnc(o1)CNCC(=O)[O-] 34a_100138411809_100020667443 [0,1,0,0,0,1|2,0,0]=4 3308 B12R1.105 Cc1csc(c1)CNCC(=O)N 2230a_100015204214_100000747473 [0,1,0,0,0,1|1,1,0]=4 3309 B12R1.105 Cc1csc(c1)CNCC(=O)N 34a_100015204214_100000187820 [0,1,0,0,0,1|1,1,0]=4 3310 B12R1.105 Cc1csc(c1)CNCC(=O)[O-] 34a_100015204214_100020667443 [0,1,0,0,0,1|1,1,0]=4 3311 B12R1.105 Cc1csc(c1)COCC(=O)N 34a_200000068372_100000187820 [0,1,0,0,0,1|1,1,0]=4 3312 B12R1.105 Cc1csc(c1)COCC(=O)N 7a_200000068372_100000187820 [0,1,0,0,0,1|1,1,0]=4 3313 B12R1.105 Cc1csc(c1)COCC(=O)[O-] 34a_200000068372_100020667443 [0,1,0,0,0,1|1,1,0]=4 3314 B12R1.105 Cc1csc(c1)SCCC(=O)N 62a_100000744528_100009876951 [0,1,0,0,0,1|1,1,0]=4 3315 B12R1.105 Cc1csc(c1)SCCC(=O)N 62a_100009876951_100000744528 [0,1,0,0,0,1|1,1,0]=4 3316 B12R1.105 Cc1nc(cs1)CSCC(=O)[13CH3] 1458a_100000150240_200025704644 [0,1,0,0,0,1|2,0,0]=4 3317 B12R1.105 NC(=O)CCSc1ccc(s1)Br 62a_100000744528_100010197418 [0,1,0,0,0,1|1,1,0]=4 3318 B12R1.105 NC(=O)CCSc1ccc(s1)Br 62a_100010197418_100000744528 [0,1,0,0,0,1|1,1,0]=4 3319 B12R1.105 NC(=O)CNCc1cc(cs1)Br 2230a_100000711301_100000746031 [0,1,0,0,0,1|1,1,0]=4 3320 B12R1.105 NC(=O)CNCc1cc(cs1)Br 2230a_100000741024_100000747473 [0,1,0,0,0,1|1,1,0]=4 3321 B12R1.105 NC(=O)CNCc1cc(cs1)Br 34a_100000741024_100000187820 [0,1,0,0,0,1|1,1,0]=4 3322 B12R1.105 NC(=O)CNCc1cc(no1)Br 2230a_100015193020_100000747473 [0,1,0,0,0,1|2,0,0]=4 3323 B12R1.105 NC(=O)CNCc1cc(no1)Br 34a_100015193020_100000187820 [0,1,0,0,0,1|2,0,0]=4 3324 B12R1.105 NC(=O)CNCc1ccc(o1)Br 34a_100000708654_100000187820 [0,1,0,0,0,1|1,0,0]=3 3325 B12R1.105 NC(=O)CNCc1ccc(s1)Br 2230a_100000711301_100000708592 [0,1,0,0,0,1|1,1,0]=4 3326 B12R1.105 NC(=O)CNCc1ccc(s1)Cl 2230a_100000711301_100000185097 [0,1,0,0,0,1|1,1,0]=4 3327 B12R1.105 NC(=O)CNCc1ccc(s1)Cl 2230a_100000737310_100000747473 [0,1,0,0,0,1|1,1,0]=4 3328 B12R1.105 NC(=O)COCc1cc(cs1)Br 34a_100000238369_100000187820 [0,1,0,0,0,1|1,1,0]=4 3329 B12R1.105 NC(=O)COCc1cc(cs1)Br 7a_100000238369_100000187820 [0,1,0,0,0,1|1,1,0]=4 3330 B12R1.105 NC(=O)COCc1cc(no1)Br 34a_100009816691_100000187820 [0,1,0,0,0,1|2,0,0]=4 3331 B12R1.105 NC(=O)COCc1ccc(o1)Br 34a_100000246276_100000187820 [0,1,0,0,0,1|1,0,0]=3 3332 B12R1.105 NC(=O)COCc1ccc(o1)Br 7a_100000246276_100000187820 [0,1,0,0,0,1|1,0,0]=3 3333 B12R1.105 NC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000747473 [0,1,0,0,0,1|1,1,0]=4 3334 B12R1.105 NC(=O)CSCc1cc(cs1)Br 62a_100000747473_100000746031 [0,1,0,0,0,1|1,1,0]=4 3335 B12R1.105 NC(=O)CSCc1cc(no1)Br 62a_100000709089_100000747473 [0,1,0,0,0,1|2,0,0]=4 3336 B12R1.105 NC(=O)CSCc1cc(no1)Br 62a_100000747473_100000709089 [0,1,0,0,0,1|2,0,0]=4 3337 B12R1.105 NC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000747473 [0,1,0,0,0,1|1,1,0]=4 3338 B12R1.105 NC(=O)CSCc1ccc(s1)Br 62a_100000747473_100000708592 [0,1,0,0,0,1|1,1,0]=4 3339 B12R1.105 NC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000747473 [0,1,0,0,0,1|1,1,0]=4 3340 B12R1.105 NC(=O)CSCc1ccc(s1)Cl 62a_100000747473_100000185097 [0,1,0,0,0,1|1,1,0]=4 3341 B12R1.105 O=C(O)CNCc1cc(cs1)Br 269956a_100016091260_100000746031 [0,1,0,0,0,1|1,1,0]=4 3342 B12R1.105 O=C(O)CNCc1cc(no1)Br 269956a_100016091260_100000709089 [0,1,0,0,0,1|2,0,0]=4 3343 B12R1.105 O=C(O)CNCc1ccc(s1)Br 269956a_100016091260_100000708592 [0,1,0,0,0,1|1,1,0]=4 3344 B12R1.105 O=C(O)CNCc1ccc(s1)Cl 269956a_100016091260_100000185097 [0,1,0,0,0,1|1,1,0]=4 3345 B12R1.105 O=C([O-])CNCc1cc(cs1)Br 34a_100000741024_100020667443 [0,1,0,0,0,1|1,1,0]=4 3346 B12R1.105 O=C([O-])CNCc1cc(no1)Br 34a_100015193020_100020667443 [0,1,0,0,0,1|2,0,0]=4 3347 B12R1.105 O=C([O-])CNCc1ccc(o1)Br 34a_100000708654_100020667443 [0,1,0,0,0,1|1,0,0]=3 3348 B12R1.105 O=C([O-])COCc1cc(cs1)Br 34a_100000238369_100020667443 [0,1,0,0,0,1|1,1,0]=4 3349 B12R1.105 O=C([O-])COCc1cc(no1)Br 34a_100009816691_100020667443 [0,1,0,0,0,1|2,0,0]=4 3350 B12R1.105 O=C([O-])COCc1ccc(o1)Br 34a_100000246276_100020667443 [0,1,0,0,0,1|1,0,0]=3 3351 B12R1.105 O=C([O-])CSCc1cc(cs1)Br 62a_100000746031_100020667443 [0,1,0,0,0,1|1,1,0]=4 3352 B12R1.105 O=C([O-])CSCc1cc(cs1)Br 62a_100020667443_100000746031 [0,1,0,0,0,1|1,1,0]=4 3353 B12R1.105 O=C([O-])CSCc1cc(no1)Br 62a_100000709089_100020667443 [0,1,0,0,0,1|2,0,0]=4 3354 B12R1.105 O=C([O-])CSCc1cc(no1)Br 62a_100020667443_100000709089 [0,1,0,0,0,1|2,0,0]=4 3355 B12R1.105 O=C([O-])CSCc1ccc(s1)Br 62a_100000708592_100020667443 [0,1,0,0,0,1|1,1,0]=4 3356 B12R1.105 O=C([O-])CSCc1ccc(s1)Br 62a_100020667443_100000708592 [0,1,0,0,0,1|1,1,0]=4 3357 B12R1.105 O=C([O-])CSCc1ccc(s1)Cl 62a_100000185097_100020667443 [0,1,0,0,0,1|1,1,0]=4 3358 B12R1.105 O=C([O-])CSCc1ccc(s1)Cl 62a_100020667443_100000185097 [0,1,0,0,0,1|1,1,0]=4 3359 B12R1.105 O=[N+]([O-])CNCc1ccc(o1)Br 34a_100000708654_100000761209 [0,1,0,0,0,1|2,0,0]=4 3360 B12R1.105 O=[N+]([O-])COCc1ccc(o1)Br 34a_100000246276_100000761209 [0,1,0,0,0,1|2,0,0]=4 3361 B12R1.105 [13CH3]C(=O)CSCc1ccc(s1)Cl 1458a_100000150175_200025704644 [0,1,0,0,0,1|0,1,0]=3 3362 B12R1.130 C=C(C)CCSc1sccc1Br 62a_100000730704_100012361411 [0,1,0,0,0,1|1,1,0]=4 3363 B12R1.130 C=C(C)CCSc1sccc1Br 62a_100012361411_100000730704 [0,1,0,0,0,1|1,1,0]=4 3364 B12R1.130 C=C(C)CCSc1sccc1C 62a_100000730704_100010247149 [0,1,0,0,0,1|1,1,0]=4 3365 B12R1.130 C=C(C)CCSc1sccc1C 62a_100010247149_100000730704 [0,1,0,0,0,1|1,1,0]=4 3366 B12R1.130 C=C(C)CNCc1cccn1C 34a_100011219357_100000748629 [0,1,0,0,0,1|2,0,0]=4 3367 B12R1.130 C=C(C)CNCc1sccc1C 2230a_100000238519_100000748629 [0,1,0,0,0,1|1,1,0]=4 3368 B12R1.130 C=C(C)CNCc1sccc1C 34a_100000238519_100000748629 [0,1,0,0,0,1|1,1,0]=4 3369 B12R1.130 C=C(C)CNCc1sccc1Cl 2230a_100011934584_100000748629 [0,1,0,0,0,1|1,1,0]=4 3370 B12R1.130 C=C(C)CNCc1sccc1Cl 34a_100011934584_100000748629 [0,1,0,0,0,1|1,1,0]=4 3371 B12R1.130 C=C(C)COCc1occc1C 34a_100011273948_100000748629 [0,1,0,0,0,1|1,0,0]=3 3372 B12R1.130 C=C(C)COCc1occc1C 7a_100011273948_100000748629 [0,1,0,0,0,1|1,0,0]=3 3373 B12R1.130 C=C(C)COCc1ocnc1C 34a_100000717716_100000748629 [0,1,0,0,0,1|2,0,0]=4 3374 B12R1.130 C=C(C)COCc1ocnc1C 7a_100000717716_100000748629 [0,1,0,0,0,1|2,0,0]=4 3375 B12R1.130 C=C(C)COCc1oncc1C 34a_200011065769_100000748629 [0,1,0,0,0,1|2,0,0]=4 3376 B12R1.130 C=C(C)COCc1sccc1Br 34a_100000702026_100000748629 [0,1,0,0,0,1|1,1,0]=4 3377 B12R1.130 C=C(C)COCc1sccc1C 34a_100000238368_100000748629 [0,1,0,0,0,1|1,1,0]=4 3378 B12R1.130 C=C(C)COCc1sccc1C 7a_100000238368_100000748629 [0,1,0,0,0,1|1,1,0]=4 3379 B12R1.130 C=C(C)COCc1sccc1Cl 34a_100000722387_100000748629 [0,1,0,0,0,1|1,1,0]=4 3380 B12R1.130 C=C(C)COCc1sccc1Cl 7a_100000722387_100000748629 [0,1,0,0,0,1|1,1,0]=4 3381 B12R1.130 C=C(F)COCc1occc1C 34a_100011273948_100009893438 [0,1,0,0,0,1|1,0,1]=4 3382 B12R1.130 C=C(F)COCc1occc1C 7a_100011273948_100000042424 [0,1,0,0,0,1|1,0,1]=4 3383 B12R1.130 CC(=O)CCSc1[nH]cnc1Cl 62a_100000053229_100010200774 [0,1,0,0,0,1|2,0,0]=4 3384 B12R1.130 CC(=O)CCSc1[nH]cnc1Cl 62a_100010200774_100000053229 [0,1,0,0,0,1|2,0,0]=4 3385 B12R1.130 CC(=O)CCSc1ccnn1C 62a_100000053229_100000688441 [0,1,0,0,0,1|2,0,0]=4 3386 B12R1.130 CC(=O)CCSc1ccnn1C 62a_100000688441_100000053229 [0,1,0,0,0,1|2,0,0]=4 3387 B12R1.130 CC(=O)CCSc1ccsc1C 62a_100000053229_100000684487 [0,1,0,0,0,1|2,0,0]=4 3388 B12R1.130 CC(=O)CCSc1ccsc1C 62a_100000684487_100000053229 [0,1,0,0,0,1|2,0,0]=4 3389 B12R1.130 CC(=O)CCSc1cncn1C 62a_100000053229_100009814087 [0,1,0,0,0,1|2,0,0]=4 3390 B12R1.130 CC(=O)CCSc1cncn1C 62a_100009814087_100000053229 [0,1,0,0,0,1|2,0,0]=4 3391 B12R1.130 CC(=O)CCSc1cscc1Br 62a_100000053229_100010143727 [0,1,0,0,0,1|2,0,0]=4 3392 B12R1.130 CC(=O)CCSc1cscc1Br 62a_100010143727_100000053229 [0,1,0,0,0,1|2,0,0]=4 3393 B12R1.130 CC(=O)CCSc1cscc1C 62a_100000053229_100000759966 [0,1,0,0,0,1|2,0,0]=4 3394 B12R1.130 CC(=O)CCSc1cscc1C 62a_100000759966_100000053229 [0,1,0,0,0,1|2,0,0]=4 3395 B12R1.130 CC(=O)CCSc1n[nH]cc1Br 62a_100000053229_100015839836 [0,1,0,0,0,1|2,0,0]=4 3396 B12R1.130 CC(=O)CCSc1n[nH]cc1Br 62a_100015839836_100000053229 [0,1,0,0,0,1|2,0,0]=4 3397 B12R1.130 CC(=O)CCSc1n[nH]cc1C 62a_100000053229_100009871783 [0,1,0,0,0,1|2,0,0]=4 3398 B12R1.130 CC(=O)CCSc1n[nH]cc1C 62a_100009871783_100000053229 [0,1,0,0,0,1|2,0,0]=4 3399 B12R1.130 CC(=O)CCSc1n[nH]cc1N 62a_100000053229_100010894806 [0,1,0,0,0,1|2,0,0]=4 3400 B12R1.130 CC(=O)CCSc1n[nH]cc1N 62a_100010894806_100000053229 [0,1,0,0,0,1|2,0,0]=4 3401 B12R1.130 CC(=O)CCSc1nc[nH]c1C 62a_100000053229_100010186451 [0,1,0,0,0,1|2,0,0]=4 3402 B12R1.130 CC(=O)CCSc1nc[nH]c1C 62a_100010186451_100000053229 [0,1,0,0,0,1|2,0,0]=4 3403 B12R1.130 CC(=O)CCSc1nccn1C 62a_100000053229_100000707724 [0,1,0,0,0,1|2,0,0]=4 3404 B12R1.130 CC(=O)CCSc1nccn1C 62a_100000707724_100000053229 [0,1,0,0,0,1|2,0,0]=4 3405 B12R1.130 CC(=O)CCSc1ncsc1C 62a_100000053229_100000732656 [0,1,0,0,0,1|2,0,0]=4 3406 B12R1.130 CC(=O)CCSc1ncsc1C 62a_100000732656_100000053229 [0,1,0,0,0,1|2,0,0]=4 3407 B12R1.130 CC(=O)CCSc1sccc1Br 62a_100000053229_100012361411 [0,1,0,0,0,1|0,1,0]=3 3408 B12R1.130 CC(=O)CCSc1sccc1Br 62a_100012361411_100000053229 [0,1,0,0,0,1|0,1,0]=3 3409 B12R1.130 CC(=O)CCSc1sccc1C 62a_100000053229_100010247149 [0,1,0,0,0,1|0,1,0]=3 3410 B12R1.130 CC(=O)CCSc1sccc1C 62a_100010247149_100000053229 [0,1,0,0,0,1|0,1,0]=3 3411 B12R1.130 CC(=O)CCSc1scnc1C 62a_100000053229_100009817116 [0,1,0,0,0,1|1,1,0]=4 3412 B12R1.130 CC(=O)CCSc1scnc1C 62a_100009817116_100000053229 [0,1,0,0,0,1|1,1,0]=4 3413 B12R1.130 CC(=O)COCc1ccnn1C 34a_100000211253_100000691648 [0,1,0,0,0,1|2,0,0]=4 3414 B12R1.130 CC(=O)COCc1ccsc1Br 34a_100000211253_100009814289 [0,1,0,0,0,1|2,0,0]=4 3415 B12R1.130 CC(=O)COCc1ccsc1Cl 34a_100000211253_100010167017 [0,1,0,0,0,1|2,0,0]=4 3416 B12R1.130 CC(=O)COCc1nccn1C 34a_100000211253_100000700302 [0,1,0,0,0,1|2,0,0]=4 3417 B12R1.130 CC(=O)COCc1ncoc1C 34a_100000211253_200000693990 [0,1,0,0,0,1|2,0,0]=4 3418 B12R1.130 CC(=O)NCCc1cccn1C 11a_100011251756_100015343762 [0,1,0,0,0,1|1,0,0]=3 3419 B12R1.130 CC(=O)NCCc1cccn1C 1626a_100011251756_100015343762 [0,1,0,0,0,1|1,0,0]=3 3420 B12R1.130 CC(=O)NCCc1cccn1C 240690a_100011251756_100015343762 [0,1,0,0,0,1|1,0,0]=3 3421 B12R1.130 CC(=O)NCCc1cccn1C 527a_100011251756_100103153847 [0,1,0,0,0,1|1,0,0]=3 3422 B12R1.130 CC(=O)NCCc1nccn1C 11a_100015187083_100015343762 [0,1,0,0,0,1|2,0,0]=4 3423 B12R1.130 CC(=O)NCCc1nccn1C 240690a_100015187083_100015343762 [0,1,0,0,0,1|2,0,0]=4 3424 B12R1.130 CC(=O)NCCc1nccn1C 527a_100015187083_100103153847 [0,1,0,0,0,1|2,0,0]=4 3425 B12R1.130 CC(=O)NCCc1scnc1C 11a_100000238517_100015343762 [0,1,0,0,0,1|1,1,0]=4 3426 B12R1.130 CC(=O)NCCc1scnc1C 1626a_100000238517_100015343762 [0,1,0,0,0,1|1,1,0]=4 3427 B12R1.130 CC(=O)NCCc1scnc1C 240690a_100000238517_100015343762 [0,1,0,0,0,1|1,1,0]=4 3428 B12R1.130 CC(=O)NCCc1scnc1C 527a_100000238517_100103153847 [0,1,0,0,0,1|1,1,0]=4 3429 B12R1.130 CC(=O)NN=Cc1occc1Br 4a_100000189765_100000756499 [0,1,0,0,0,1|1,0,1]=4 3430 B12R1.130 CC(=O)NN=Cc1occc1C 4a_100000189765_100000763527 [0,1,0,0,0,1|1,0,1]=4 3431 B12R1.130 CC(=O)OCSc1sccc1Br 62a_100000076356_100012361411 [0,1,0,0,0,1|1,1,0]=4 3432 B12R1.130 CC(=O)OCSc1sccc1Br 62a_100012361411_100000076356 [0,1,0,0,0,1|1,1,0]=4 3433 B12R1.130 CC(=O)OCSc1sccc1C 62a_100000076356_100010247149 [0,1,0,0,0,1|1,1,0]=4 3434 B12R1.130 CC(=O)OCSc1sccc1C 62a_100010247149_100000076356 [0,1,0,0,0,1|1,1,0]=4 3435 B12R1.130 CC(C)CNCc1occc1Br 270004a_100000210953_100000756499 [0,1,0,0,0,1|1,0,1]=4 3436 B12R1.130 CC(O)CNCc1occc1Br 270004a_100000210904_100000756499 [0,1,0,0,0,1|0,0,2]=4 3437 B12R1.130 Cc1ccoc1CNCC(C)C 207a_100000210953_100000763527 [0,1,0,0,0,1|1,0,1]=4 3438 B12R1.130 Cc1ccoc1CNCC(C)C 270004a_100000210953_100000763527 [0,1,0,0,0,1|1,0,1]=4 3439 B12R1.130 Cc1ccoc1CNCC(C)O 207a_100000210904_100000763527 [0,1,0,0,0,1|0,0,2]=4 3440 B12R1.130 Cc1ccoc1CNCC(C)O 270004a_100000210904_100000763527 [0,1,0,0,0,1|0,0,2]=4 3441 B12R1.130 Cc1ccoc1COCC(=O)N 34a_100011273948_100000187820 [0,1,0,0,0,1|1,0,0]=3 3442 B12R1.130 Cc1ccoc1COCC(=O)N 7a_100011273948_100000187820 [0,1,0,0,0,1|1,0,0]=3 3443 B12R1.130 Cc1ccoc1COCC(=O)[O-] 34a_100011273948_100020667443 [0,1,0,0,0,1|1,0,0]=3 3444 B12R1.130 Cc1ccoc1COCC(C)C 34a_100011273948_100000210624 [0,1,0,0,0,1|1,0,1]=4 3445 B12R1.130 Cc1ccoc1COCC(C)C 7a_100011273948_100000210760 [0,1,0,0,0,1|1,0,1]=4 3446 B12R1.130 Cc1ccoc1COCC(C)O 34a_100011273948_100011218427 [0,1,0,0,0,1|0,0,2]=4 3447 B12R1.130 Cc1ccoc1COCC(C)O 7a_100011273948_100011218427 [0,1,0,0,0,1|0,0,2]=4 3448 B12R1.130 Cc1ccoc1COC[C@@H](C)O 34a_100011273948_100009817552 [0,1,0,0,0,1|0,0,2]=4 3449 B12R1.130 Cc1ccoc1COC[C@@H](C)O 7a_100011273948_100009817552 [0,1,0,0,0,1|0,0,2]=4 3450 B12R1.130 Cc1ccoc1COC[N+](=O)[O-] 34a_100011273948_100000761209 [0,1,0,0,0,1|2,0,0]=4 3451 B12R1.130 Cc1ccsc1CNCC(=O)N 2230a_100000238519_100000747473 [0,1,0,0,0,1|1,1,0]=4 3452 B12R1.130 Cc1ccsc1CNCC(=O)N 34a_100000238519_100000187820 [0,1,0,0,0,1|1,1,0]=4 3453 B12R1.130 Cc1ccsc1CNCC(=O)[O-] 34a_100000238519_100020667443 [0,1,0,0,0,1|1,1,0]=4 3454 B12R1.130 Cc1ccsc1COCC(=O)N 34a_100000238368_100000187820 [0,1,0,0,0,1|1,1,0]=4 3455 B12R1.130 Cc1ccsc1COCC(=O)N 7a_100000238368_100000187820 [0,1,0,0,0,1|1,1,0]=4 3456 B12R1.130 Cc1ccsc1COCC(=O)[O-] 34a_100000238368_100020667443 [0,1,0,0,0,1|1,1,0]=4 3457 B12R1.130 Cc1ccsc1SCCC(=O)N 62a_100000744528_100010247149 [0,1,0,0,0,1|1,1,0]=4 3458 B12R1.130 Cc1ccsc1SCCC(=O)N 62a_100010247149_100000744528 [0,1,0,0,0,1|1,1,0]=4 3459 B12R1.130 Cc1cnoc1COCC(=O)N 34a_200011065769_100000187820 [0,1,0,0,0,1|2,0,0]=4 3460 B12R1.130 Cc1cnoc1COCC(=O)[O-] 34a_200011065769_100020667443 [0,1,0,0,0,1|2,0,0]=4 3461 B12R1.130 Cc1ncoc1COCC(=O)N 34a_100000717716_100000187820 [0,1,0,0,0,1|2,0,0]=4 3462 B12R1.130 Cc1ncoc1COCC(=O)N 7a_100000717716_100000187820 [0,1,0,0,0,1|2,0,0]=4 3463 B12R1.130 Cc1ncoc1COCC(=O)[O-] 34a_100000717716_100020667443 [0,1,0,0,0,1|2,0,0]=4 3464 B12R1.130 Cn1cccc1CNCC(=O)N 34a_100011219357_100000187820 [0,1,0,0,0,1|2,0,0]=4 3465 B12R1.130 Cn1cccc1CNCC(=O)[O-] 34a_100011219357_100020667443 [0,1,0,0,0,1|2,0,0]=4 3466 B12R1.130 NC(=O)CCSc1sccc1Br 62a_100000744528_100012361411 [0,1,0,0,0,1|1,1,0]=4 3467 B12R1.130 NC(=O)CCSc1sccc1Br 62a_100012361411_100000744528 [0,1,0,0,0,1|1,1,0]=4 3468 B12R1.130 NC(=O)CNCc1sccc1Cl 2230a_100011934584_100000747473 [0,1,0,0,0,1|1,1,0]=4 3469 B12R1.130 NC(=O)CNCc1sccc1Cl 34a_100011934584_100000187820 [0,1,0,0,0,1|1,1,0]=4 3470 B12R1.130 NC(=O)COCc1sccc1Br 34a_100000702026_100000187820 [0,1,0,0,0,1|1,1,0]=4 3471 B12R1.130 NC(=O)COCc1sccc1Cl 34a_100000722387_100000187820 [0,1,0,0,0,1|1,1,0]=4 3472 B12R1.130 NC(=O)COCc1sccc1Cl 7a_100000722387_100000187820 [0,1,0,0,0,1|1,1,0]=4 3473 B12R1.130 O=C([O-])CNCc1sccc1Cl 34a_100011934584_100020667443 [0,1,0,0,0,1|1,1,0]=4 3474 B12R1.130 O=C([O-])COCc1sccc1Br 34a_100000702026_100020667443 [0,1,0,0,0,1|1,1,0]=4 3475 B12R1.130 O=C([O-])COCc1sccc1Cl 34a_100000722387_100020667443 [0,1,0,0,0,1|1,1,0]=4 3476 B12R1.260 C=C(C)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000748629 [0,1,0,0,0,1|2,0,0]=4 3477 B12R1.260 C=C(C)CC(=O)Cc1ccco1 1458a_100011217309_100000748629 [0,1,0,0,0,1|1,0,0]=3 3478 B12R1.260 C=C(C)CC(=O)Cc1cccs1 1458a_100000210189_100000748629 [0,1,0,0,0,1|1,1,0]=4 3479 B12R1.260 C=C(C)CN(C)Cc1ccco1 2230a_100000185268_100000748629 [0,1,0,0,0,1|1,0,0]=3 3480 B12R1.260 C=C(C)CN(C)Cc1ccco1 269982a_100000185268_100000748629 [0,1,0,0,0,1|1,0,0]=3 3481 B12R1.260 C=C(C)CN(C)Cc1ccco1 270004a_100000225649_100000186105 [0,1,0,0,0,1|1,0,0]=3 3482 B12R1.260 C=C(C)CN(C)Cc1cccs1 2230a_100000184426_100000748629 [0,1,0,0,0,1|1,1,0]=4 3483 B12R1.260 C=C(C)CN(C)Cc1cccs1 269982a_100000184426_100000748629 [0,1,0,0,0,1|1,1,0]=4 3484 B12R1.260 C=C(C)CN(C)Cc1cccs1 270004a_100000225649_100000209959 [0,1,0,0,0,1|1,1,0]=4 3485 B12R1.260 C=C(C)CN(C)Cc1cnco1 270004a_100000225649_100000064291 [0,1,0,0,0,1|2,0,0]=4 3486 B12R1.260 C=C(C)CN(C)Cc1ncco1 2230a_100000225649_103436540062 [0,1,0,0,0,1|2,0,0]=4 3487 B12R1.260 C=C(C)CN(C)Cc1ncco1 269982a_100000225649_103436540062 [0,1,0,0,0,1|2,0,0]=4 3488 B12R1.260 C=C(C)CN(C)Cc1ncco1 270004a_100000225649_100000064290 [0,1,0,0,0,1|2,0,0]=4 3489 B12R1.260 C=C(F)CC(=O)Cc1ccco1 1458a_100011217309_100009893438 [0,1,0,0,0,1|1,0,1]=4 3490 B12R1.260 C=C(F)CN(C)Cc1ccco1 2230a_100000185268_100009893438 [0,1,0,0,0,1|1,0,1]=4 3491 B12R1.260 C=C(F)CN(C)Cc1ccco1 269982a_100000185268_100009893438 [0,1,0,0,0,1|1,0,1]=4 3492 B12R1.260 CC(=O)NC(C)Cc1cccs1 11a_100000751415_100015343762 [0,1,0,0,0,1|0,1,0]=3 3493 B12R1.260 CC(=O)NC(C)Cc1cccs1 1626a_100000751415_100015343762 [0,1,0,0,0,1|0,1,0]=3 3494 B12R1.260 CC(=O)NC(C)Cc1cccs1 240690a_100000751415_100015343762 [0,1,0,0,0,1|0,1,0]=3 3495 B12R1.260 CC(=O)NC(C)Cc1cccs1 527a_100000751415_100103153847 [0,1,0,0,0,1|0,1,0]=3 3496 B12R1.260 CC(=O)NC(C)Cc1ccsc1 11a_100000743546_100015343762 [0,1,0,0,0,1|2,0,0]=4 3497 B12R1.260 CC(=O)NC(C)Cc1ccsc1 1626a_100000743546_100015343762 [0,1,0,0,0,1|2,0,0]=4 3498 B12R1.260 CC(=O)NC(C)Cc1ccsc1 240690a_100000743546_100015343762 [0,1,0,0,0,1|2,0,0]=4 3499 B12R1.260 CC(=O)NC(C)Cc1ccsc1 527a_100000743546_100103153847 [0,1,0,0,0,1|2,0,0]=4 3500 B12R1.260 CC(=O)NC(C)Cn1cccn1 11a_100000738251_100015343762 [0,1,0,0,0,1|2,0,0]=4 3501 B12R1.260 CC(=O)NC(C)Cn1cccn1 1626a_100000738251_100015343762 [0,1,0,0,0,1|2,0,0]=4 3502 B12R1.260 CC(=O)NC(C)Cn1cccn1 240690a_100000738251_100015343762 [0,1,0,0,0,1|2,0,0]=4 3503 B12R1.260 CC(=O)NC(C)Cn1cccn1 527a_100000738251_100103153847 [0,1,0,0,0,1|2,0,0]=4 3504 B12R1.260 CC(=O)OC(C)Sc1ccco1 62a_100009814098_100009818208 [0,1,0,0,0,1|1,0,0]=3 3505 B12R1.260 CC(=O)OC(C)Sc1ccco1 62a_100009818208_100009814098 [0,1,0,0,0,1|1,0,0]=3 3506 B12R1.260 CC(=O)OC(C)Sc1cccs1 62a_100009818208_100011215356 [0,1,0,0,0,1|1,1,0]=4 3507 B12R1.260 CC(=O)OC(C)Sc1cccs1 62a_100011215356_100009818208 [0,1,0,0,0,1|1,1,0]=4 3508 B12R1.260 CC(=O)OC(C)Sc1cnco1 62a_100009818208_100020591547 [0,1,0,0,0,1|2,0,0]=4 3509 B12R1.260 CC(=O)OC(C)Sc1cnco1 62a_100020591547_100009818208 [0,1,0,0,0,1|2,0,0]=4 3510 B12R1.260 CC(=O)OC(C)Sc1ncco1 62a_100009818208_100011787736 [0,1,0,0,0,1|2,0,0]=4 3511 B12R1.260 CC(=O)OC(C)Sc1ncco1 62a_100011787736_100009818208 [0,1,0,0,0,1|2,0,0]=4 3512 B12R1.260 CC(C)CC(=O)Cc1ccco1 1458a_100011217309_100000210624 [0,1,0,0,0,1|1,0,1]=4 3513 B12R1.260 CC(C)CC(C)Sc1ccco1 62a_100000731052_100009814098 [0,1,0,0,0,1|1,0,1]=4 3514 B12R1.260 CC(C)CC(C)Sc1ccco1 62a_100009814098_100000731052 [0,1,0,0,0,1|1,0,1]=4 3515 B12R1.260 CC(C)CN(C)Cc1ccco1 2230a_100000185268_100000210760 [0,1,0,0,0,1|1,0,1]=4 3516 B12R1.260 CC(C)CN(C)Cc1ccco1 2230a_100000200082_200000210301 [0,1,0,0,0,1|1,0,1]=4 3517 B12R1.260 CC(C)CN(C)Cc1ccco1 269982a_100000185268_100000210624 [0,1,0,0,0,1|1,0,1]=4 3518 B12R1.260 CC(C)CN(C)Cc1ccco1 269982a_100000200082_200000210301 [0,1,0,0,0,1|1,0,1]=4 3519 B12R1.260 CC(C)CN(C)Cc1ccco1 270004a_100000185268_100000210432 [0,1,0,0,0,1|1,0,1]=4 3520 B12R1.260 CC(C)CN(C)Cc1ccco1 270004a_100000747067_100000186105 [0,1,0,0,0,1|1,0,1]=4 3521 B12R1.260 CC(C)CN([13CH3])Cc1ccco1 2230a_100000200082_200025704644 [0,1,0,0,0,1|1,0,1]=4 3522 B12R1.260 CC(C)CN([13CH3])Cc1ccco1 269982a_100000200082_200025704644 [0,1,0,0,0,1|1,0,1]=4 3523 B12R1.260 CC(C)OC(C)Cc1ccco1 34a_100011803939_100000210206 [0,1,0,0,0,1|1,0,1]=4 3524 B12R1.260 CC(C)OC(C)Cc1ccco1 7a_100011803939_100000210206 [0,1,0,0,0,1|1,0,1]=4 3525 B12R1.260 CC(CN(C)C)Sc1ccco1 62a_100009814098_100020606517 [0,1,0,0,0,1|2,0,0]=4 3526 B12R1.260 CC(CN(C)C)Sc1ccco1 62a_100020606517_100009814098 [0,1,0,0,0,1|2,0,0]=4 3527 B12R1.260 CC(O)CC(=O)Cc1ccco1 1458a_100011217309_100011218427 [0,1,0,0,0,1|0,0,2]=4 3528 B12R1.260 CC(O)CN(C)Cc1ccco1 2230a_100000185268_100011218427 [0,1,0,0,0,1|0,0,2]=4 3529 B12R1.260 CC(O)CN(C)Cc1ccco1 269982a_100000185268_100011218427 [0,1,0,0,0,1|0,0,2]=4 3530 B12R1.260 CC(O)CN(C)Cc1ccco1 270004a_100000227577_100000186105 [0,1,0,0,0,1|0,0,2]=4 3531 B12R1.260 CN(CC(=O)N)Cc1ccco1 2230a_100000185268_100000747473 [0,1,0,0,0,1|1,0,0]=3 3532 B12R1.260 CN(CC(=O)N)Cc1ccco1 269982a_100000185268_100000187820 [0,1,0,0,0,1|1,0,0]=3 3533 B12R1.260 CN(CC(=O)N)Cc1ccco1 270004a_100000739694_100000186105 [0,1,0,0,0,1|1,0,0]=3 3534 B12R1.260 CN(CC(=O)N)Cc1cccs1 2230a_100000184426_100000747473 [0,1,0,0,0,1|1,1,0]=4 3535 B12R1.260 CN(CC(=O)N)Cc1cccs1 269982a_100000184426_100000187820 [0,1,0,0,0,1|1,1,0]=4 3536 B12R1.260 CN(CC(=O)N)Cc1cccs1 270004a_100000739694_100000209959 [0,1,0,0,0,1|1,1,0]=4 3537 B12R1.260 CN(CC(=O)N)Cc1cnco1 270004a_100000739694_100000064291 [0,1,0,0,0,1|2,0,0]=4 3538 B12R1.260 CN(CC(=O)N)Cc1ncco1 2230a_100000739694_103436540062 [0,1,0,0,0,1|2,0,0]=4 3539 B12R1.260 CN(CC(=O)N)Cc1ncco1 270004a_100000739694_100000064290 [0,1,0,0,0,1|2,0,0]=4 3540 B12R1.260 CN(CC(=O)O)Cc1ncco1 269956a_100000746989_103436540062 [0,1,0,0,0,1|2,0,0]=4 3541 B12R1.260 CN(CC(=O)[O-])Cc1ccco1 269982a_100000185268_100020667443 [0,1,0,0,0,1|1,0,0]=3 3542 B12R1.260 CN(CC(=O)[O-])Cc1cccs1 269982a_100000184426_100020667443 [0,1,0,0,0,1|1,1,0]=4 3543 B12R1.260 CN(Cc1ccco1)C[N+](=O)[O-] 269982a_100000185268_100000761209 [0,1,0,0,0,1|2,0,0]=4 3544 B12R1.260 C[C@@H](O)CN(C)Cc1ccco1 2230a_100000185268_100009817552 [0,1,0,0,0,1|0,0,2]=4 3545 B12R1.260 C[C@@H](O)CN(C)Cc1ccco1 269982a_100000185268_100009817552 [0,1,0,0,0,1|0,0,2]=4 3546 B12R1.260 NC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000187820 [0,1,0,0,0,1|2,0,0]=4 3547 B12R1.260 NC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000187820 [0,1,0,0,0,1|1,0,0]=3 3548 B12R1.260 NC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000187820 [0,1,0,0,0,1|1,1,0]=4 3549 B12R1.260 NC(=O)CC(=O)Cc1ncco1 1458a_100134613110_103436540062 [0,1,0,0,0,1|2,0,0]=4 3550 B12R1.260 O=C(Cc1ccco1)C[N+](=O)[O-] 1458a_100011217309_100000761209 [0,1,0,0,0,1|2,0,0]=4 3551 B12R1.260 O=C([O-])CC(=O)Cc1ccc[nH]1 1458a_100000238377_100020667443 [0,1,0,0,0,1|2,0,0]=4 3552 B12R1.260 O=C([O-])CC(=O)Cc1ccco1 1458a_100011217309_100020667443 [0,1,0,0,0,1|1,0,0]=3 3553 B12R1.260 O=C([O-])CC(=O)Cc1cccs1 1458a_100000210189_100020667443 [0,1,0,0,0,1|1,1,0]=4 3554 B12R1.264 C=C(C)C(=O)CCc1cccs1 1458a_100000185857_100000748579 [0,1,0,0,0,1|1,1,0]=4 3555 B12R1.264 C=C(C)C(=O)NCc1ccco1 11a_100000185738_100000185857 [0,1,0,0,0,1|1,0,1]=4 3556 B12R1.264 C=C(C)C(=O)NCc1ccco1 1626a_100000185738_100000185857 [0,1,0,0,0,1|1,0,1]=4 3557 B12R1.264 C=C(C)C(C)NCc1cccs1 269862a_100000211653_100011216138 [0,1,0,0,0,1|1,1,0]=4 3558 B12R1.264 C=C(C)C(C)NCc1cnco1 269862a_100020634212_100011216138 [0,1,0,0,0,1|2,0,0]=4 3559 B12R1.264 CC(=O)C(=O)CSc1ccco1 62a_100009814098_100011261029 [0,1,0,0,0,1|0,0,1]=3 3560 B12R1.264 CC(=O)C(=O)CSc1ccco1 62a_100011261029_100009814098 [0,1,0,0,0,1|0,0,1]=3 3561 B12R1.264 CC(=O)C(=O)CSc1cccs1 62a_100011215356_100011261029 [0,1,0,0,0,1|0,1,1]=4 3562 B12R1.264 CC(=O)C(=O)CSc1cccs1 62a_100011261029_100011215356 [0,1,0,0,0,1|0,1,1]=4 3563 B12R1.264 CC(=O)C(=O)CSc1cnco1 62a_100011261029_100020591547 [0,1,0,0,0,1|1,0,1]=4 3564 B12R1.264 CC(=O)C(=O)CSc1cnco1 62a_100020591547_100011261029 [0,1,0,0,0,1|1,0,1]=4 3565 B12R1.264 CC(=O)C(=O)CSc1ncco1 62a_100011261029_100011787736 [0,1,0,0,0,1|1,0,1]=4 3566 B12R1.264 CC(=O)C(=O)CSc1ncco1 62a_100011787736_100011261029 [0,1,0,0,0,1|1,0,1]=4 3567 B12R1.264 CC(=O)C(C)NCc1ccco1 2230a_100000185738_100009814033 [0,1,0,0,0,1|0,0,0]=2 3568 B12R1.264 CC(=O)C(C)NCc1cccs1 2230a_100000211653_100009814033 [0,1,0,0,0,1|0,1,0]=3 3569 B12R1.264 CC(=O)C(C)NCc1ccoc1 2230a_100015206860_100009814033 [0,1,0,0,0,1|2,0,0]=4 3570 B12R1.264 CC(=O)C(C)NCc1ccsc1 2230a_100000186416_100009814033 [0,1,0,0,0,1|2,0,0]=4 3571 B12R1.264 CC(=O)C(C)NCc1cncs1 2230a_100016987365_100009814033 [0,1,0,0,0,1|1,1,0]=4 3572 B12R1.264 CC(=O)C(C)NCc1cscn1 2230a_100015185402_100009814033 [0,1,0,0,0,1|2,0,0]=4 3573 B12R1.264 CC(=O)C(C)NCc1ncco1 2230a_100016994969_100009814033 [0,1,0,0,0,1|1,0,0]=3 3574 B12R1.264 CC(=O)C(C)NCc1nccs1 2230a_100000740555_100009814033 [0,1,0,0,0,1|1,1,0]=4 3575 B12R1.264 CC(=O)C(C)OCc1c[nH]cn1 34a_100000212229_100000707719 [0,1,0,0,0,1|2,0,0]=4 3576 B12R1.264 CC(=O)C(C)OCc1ccn[nH]1 34a_100000212229_100000728653 [0,1,0,0,0,1|2,0,0]=4 3577 B12R1.264 CC(=O)C(C)OCc1ccon1 34a_100000212229_100000234950 [0,1,0,0,0,1|2,0,0]=4 3578 B12R1.264 CC(=O)C(C)OCc1ccsc1 34a_100000212229_100011261437 [0,1,0,0,0,1|2,0,0]=4 3579 B12R1.264 CC(=O)C(C)OCc1cncs1 34a_100000212229_100015185245 [0,1,0,0,0,1|1,1,0]=4 3580 B12R1.264 CC(=O)C(C)OCc1cscn1 34a_100000212229_100000205941 [0,1,0,0,0,1|2,0,0]=4 3581 B12R1.264 CC(=O)C(C)OCc1ncc[nH]1 34a_100000212229_100016991755 [0,1,0,0,0,1|2,0,0]=4 3582 B12R1.264 CC(=O)C(C)OCc1ncco1 34a_100000212229_103436540062 [0,1,0,0,0,1|1,0,0]=3 3583 B12R1.264 CC(=O)C(C)OCc1nccs1 34a_100000212229_100015184050 [0,1,0,0,0,1|1,1,0]=4 3584 B12R1.264 CC(=O)C(C)SCc1c[nH]cn1 62a_100000707719_100009814033 [0,1,0,0,0,1|2,0,0]=4 3585 B12R1.264 CC(=O)C(C)SCc1c[nH]cn1 62a_100009814033_100000707719 [0,1,0,0,0,1|2,0,0]=4 3586 B12R1.264 CC(=O)C(C)SCc1ccn[nH]1 62a_100000728653_100009814033 [0,1,0,0,0,1|2,0,0]=4 3587 B12R1.264 CC(=O)C(C)SCc1ccn[nH]1 62a_100009814033_100000728653 [0,1,0,0,0,1|2,0,0]=4 3588 B12R1.264 CC(=O)C(C)SCc1ccon1 62a_100000234950_100009814033 [0,1,0,0,0,1|2,0,0]=4 3589 B12R1.264 CC(=O)C(C)SCc1ccon1 62a_100009814033_100000234950 [0,1,0,0,0,1|2,0,0]=4 3590 B12R1.264 CC(=O)C(C)SCc1ccsc1 62a_100009814033_100011233845 [0,1,0,0,0,1|2,0,0]=4 3591 B12R1.264 CC(=O)C(C)SCc1ccsc1 62a_100011261437_100009814033 [0,1,0,0,0,1|2,0,0]=4 3592 B12R1.264 CC(=O)C(C)SCc1cncs1 62a_100009814033_100015185245 [0,1,0,0,0,1|1,1,0]=4 3593 B12R1.264 CC(=O)C(C)SCc1cncs1 62a_100015185245_100009814033 [0,1,0,0,0,1|1,1,0]=4 3594 B12R1.264 CC(=O)C(C)SCc1cscn1 62a_100000205941_100009814033 [0,1,0,0,0,1|2,0,0]=4 3595 B12R1.264 CC(=O)C(C)SCc1cscn1 62a_100009814033_100000205941 [0,1,0,0,0,1|2,0,0]=4 3596 B12R1.264 CC(=O)C(C)SCc1ncc[nH]1 62a_100009814033_100016991755 [0,1,0,0,0,1|2,0,0]=4 3597 B12R1.264 CC(=O)C(C)SCc1ncc[nH]1 62a_100016991755_100009814033 [0,1,0,0,0,1|2,0,0]=4 3598 B12R1.264 CC(=O)C(C)SCc1ncco1 62a_100009814033_103436540062 [0,1,0,0,0,1|1,0,0]=3 3599 B12R1.264 CC(=O)C(C)SCc1ncco1 62a_103436540062_100009814033 [0,1,0,0,0,1|1,0,0]=3 3600 B12R1.264 CC(=O)C(C)SCc1nccs1 62a_100009814033_100015184050 [0,1,0,0,0,1|1,1,0]=4 3601 B12R1.264 CC(=O)C(C)SCc1nccs1 62a_100015184050_100009814033 [0,1,0,0,0,1|1,1,0]=4 3602 B12R1.264 CC(C)C(=O)CCc1ccco1 1458a_100000185103_100000210206 [0,1,0,0,0,1|1,0,1]=4 3603 B12R1.264 CC(C)C(C)NCc1ccco1 207a_100000211541_100000186105 [0,1,0,0,0,1|1,0,1]=4 3604 B12R1.264 CC(C)C(C)NCc1ccco1 270004a_100000211541_100000186105 [0,1,0,0,0,1|1,0,1]=4 3605 B12R1.264 CC(NCc1ccco1)C(=O)N 2230a_100000185738_100000702099 [0,1,0,0,0,1|1,0,0]=3 3606 B12R1.264 CC(NCc1ccco1)C(=O)N 34a_100000185738_100000702099 [0,1,0,0,0,1|1,0,0]=3 3607 B12R1.264 CC(NCc1cccs1)C(=O)N 2230a_100000211653_100000702099 [0,1,0,0,0,1|1,1,0]=4 3608 B12R1.264 CC(NCc1ncco1)C(=O)N 2230a_100016994969_100000702099 [0,1,0,0,0,1|2,0,0]=4 3609 B12R1.264 CC(OCc1ccco1)C(=O)N 34a_100000210059_100000702099 [0,1,0,0,0,1|1,0,0]=3 3610 B12R1.264 CC(OCc1cccs1)C(=O)N 34a_100000211240_100000702099 [0,1,0,0,0,1|1,1,0]=4 3611 B12R1.264 CC(OCc1ccno1)C(=O)N 34a_100000740478_100000702099 [0,1,0,0,0,1|2,0,0]=4 3612 B12R1.264 CC(OCc1ncco1)C(=O)N 34a_100000062594_100000702099 [0,1,0,0,0,1|2,0,0]=4 3613 B12R1.264 CC(SCc1ncco1)C(=O)N 62a_100000702099_103436540062 [0,1,0,0,0,1|2,0,0]=4 3614 B12R1.264 CC(SCc1ncco1)C(=O)N 62a_103436540062_100000702099 [0,1,0,0,0,1|2,0,0]=4 3615 B12R1.264 CN(C)C(=O)CCc1ccco1 11a_100102631434_100000185103 [0,1,0,0,0,1|2,0,0]=4 3616 B12R1.264 CN(C)C(=O)CCc1ccco1 1626a_100102631434_100000185103 [0,1,0,0,0,1|2,0,0]=4 3617 B12R1.264 CN(C)C(=O)CCc1ccco1 271570a_200010232142_100009814098 [0,1,0,0,0,1|2,0,0]=4 3618 B12R1.264 CN(C)C(=O)CCc1ccco1 527a_100102631434_100000185103 [0,1,0,0,0,1|2,0,0]=4 3619 B12R1.264 C[C@@H](NCc1ccco1)C(=O)N 270004a_100000119354_100000186105 [0,1,0,0,0,1|1,0,0]=3 3620 B12R1.264 C[C@@H](NCc1cccs1)C(=O)N 270004a_100000119354_100000209959 [0,1,0,0,0,1|1,1,0]=4 3621 B12R1.264 C[C@@H](NCc1cnco1)C(=O)N 270004a_100000119354_100000064291 [0,1,0,0,0,1|2,0,0]=4 3622 B12R1.264 C[C@@H](NCc1ncco1)C(=O)N 2230a_100000119354_103436540062 [0,1,0,0,0,1|2,0,0]=4 3623 B12R1.264 C[C@@H](NCc1ncco1)C(=O)N 270004a_100000119354_100000064290 [0,1,0,0,0,1|2,0,0]=4 3624 B12R1.264 C[C@@H](NCc1ncco1)C(=O)N 34a_100000119354_103436540062 [0,1,0,0,0,1|2,0,0]=4 3625 B12R1.264 C[C@@H](OCc1ncco1)C(=O)N 34a_100000731257_103436540062 [0,1,0,0,0,1|2,0,0]=4 3626 B12R1.264 C[C@@H](OCc1ncco1)C(=O)N 7a_100000731257_103436540062 [0,1,0,0,0,1|2,0,0]=4 3627 B12R1.264 C[C@H](NCc1ncco1)C(=O)O 269956a_100000743915_103436540062 [0,1,0,0,0,1|2,0,0]=4 3628 B12R1.264 C[C@H](OCc1ncco1)C(=O)[O-] 7a_217856618621_103436540062 [0,1,0,0,0,1|2,0,0]=4 3629 B12R1.264 NC(=O)C(=O)NCc1ccco1 240690a_100000185738_100011215815 [0,1,0,0,0,1|1,0,1]=4 3630 B12R1.264 NC(=O)C(F)NCc1ccco1 2230a_100000185738_100009813875 [0,1,0,0,0,1|1,0,0]=3 3631 B12R1.264 NC(=O)C(F)NCc1ccco1 34a_100000185738_100009813875 [0,1,0,0,0,1|1,0,0]=3 3632 B12R1.264 NC(=O)C(F)NCc1cccs1 2230a_100000211653_100009813875 [0,1,0,0,0,1|1,1,0]=4 3633 B12R1.264 NC(=O)C(F)NCc1ncco1 2230a_100016994969_100009813875 [0,1,0,0,0,1|2,0,0]=4 3634 B12R1.264 NC(=O)C(F)OCc1ccco1 34a_100000210059_100009813875 [0,1,0,0,0,1|1,0,0]=3 3635 B12R1.264 NC(=O)C(F)OCc1cccs1 34a_100000211240_100009813875 [0,1,0,0,0,1|1,1,0]=4 3636 B12R1.264 NC(=O)C(F)OCc1ccno1 34a_100000740478_100009813875 [0,1,0,0,0,1|2,0,0]=4 3637 B12R1.264 NC(=O)C(F)OCc1ncco1 34a_100000062594_100009813875 [0,1,0,0,0,1|2,0,0]=4 3638 B12R1.264 NC(=O)C(F)SCc1ncco1 62a_100009813875_103436540062 [0,1,0,0,0,1|2,0,0]=4 3639 B12R1.264 NC(=O)C(F)SCc1ncco1 62a_103436540062_100009813875 [0,1,0,0,0,1|2,0,0]=4 3640 B12R1.264 O=C([O-])C(F)NCc1ccco1 34a_100000185738_100020610796 [0,1,0,0,0,1|1,0,0]=3 3641 B12R1.264 O=C([O-])C(F)OCc1ccco1 34a_100000210059_100020610796 [0,1,0,0,0,1|1,0,0]=3 3642 B12R1.264 O=C([O-])C(F)OCc1cccs1 34a_100000211240_100020610796 [0,1,0,0,0,1|1,1,0]=4 3643 B12R1.264 O=C([O-])C(F)OCc1ccno1 34a_100000740478_100020610796 [0,1,0,0,0,1|2,0,0]=4 3644 B12R1.264 O=C([O-])C(F)OCc1ncco1 34a_100000062594_100020610796 [0,1,0,0,0,1|2,0,0]=4 3645 B12R1.264 O=C([O-])C(F)SCc1ncco1 62a_100020610796_103436540062 [0,1,0,0,0,1|2,0,0]=4 3646 B12R1.264 O=C([O-])C(F)SCc1ncco1 62a_103436540062_100020610796 [0,1,0,0,0,1|2,0,0]=4 3647 B12R1.477 C#CC(=O)CCCc1cccs1 1458a_100000211873_100010992444 [0,1,0,0,0,1|0,1,1]=4 3648 B12R1.477 C#CC(C)NCCc1ccco1 34a_100000694680_200000035995 [0,1,0,0,0,1|1,0,1]=4 3649 B12R1.477 C=C(C#N)CNCc1ccco1 2230a_100000185738_100000694840 [0,1,0,0,0,1|1,0,1]=4 3650 B12R1.477 C=C(C#N)CNCc1ccco1 34a_100000185738_100000694840 [0,1,0,0,0,1|1,0,1]=4 3651 B12R1.477 C=C(C#N)COCc1ccco1 34a_100000210059_100000694840 [0,1,0,0,0,1|1,0,1]=4 3652 B12R1.477 C=CC(=O)CCCc1cccs1 1458a_100000185746_100010992444 [0,1,0,0,0,1|0,1,1]=4 3653 B12R1.477 C=CC(=O)NCCc1ccco1 1626a_100000694680_100000185746 [0,1,0,0,0,1|0,0,1]=3 3654 B12R1.477 C=CC(=O)NCCc1ccco1 240690a_100000694680_200121576911 [0,1,0,0,0,1|0,0,1]=3 3655 B12R1.477 C=CC(=O)NCCc1cccs1 1626a_100000203755_100000185746 [0,1,0,0,0,1|0,1,1]=4 3656 B12R1.477 C=CC(=O)NCCc1cccs1 240690a_100000203755_200121576911 [0,1,0,0,0,1|0,1,1]=4 3657 B12R1.477 CC(C#N)NCCc1ccco1 2230a_100000694680_100000184139 [0,1,0,0,0,1|1,0,1]=4 3658 B12R1.477 CC(CO)CNCc1ccco1 207a_100000744482_100000186105 [0,1,0,0,0,1|0,0,2]=4 3659 B12R1.477 CC(CO)NCCc1ccco1 2230a_100000694680_100012180447 [0,1,0,0,0,1|0,0,2]=4 3660 B12R1.477 CC(CO)NCCc1ccco1 34a_100000694680_100012180447 [0,1,0,0,0,1|0,0,2]=4 3661 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000184482_100000210202 [0,1,0,0,0,1|0,1,0]=3 3662 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000210414_100010992444 [0,1,0,0,0,1|0,1,0]=3 3663 B12R1.477 CCC(=O)CCCn1cccc1 1458a_100000210414_200009814367 [0,1,0,0,0,1|2,0,0]=4 3664 B12R1.477 CCC(=O)CCCn1cccc1 1458a_100000691410_100000210202 [0,1,0,0,0,1|2,0,0]=4 3665 B12R1.477 CCC(=O)CCCn1cccn1 1458a_100000210414_100000739983 [0,1,0,0,0,1|2,0,0]=4 3666 B12R1.477 CCC(=O)CCCn1cccn1 1458a_100000742828_100000210202 [0,1,0,0,0,1|2,0,0]=4 3667 B12R1.477 CCC(=O)COCc1c[nH]cn1 34a_100000725409_100000707719 [0,1,0,0,0,1|2,0,0]=4 3668 B12R1.477 CCC(=O)COCc1ccn[nH]1 34a_100000725409_100000728653 [0,1,0,0,0,1|2,0,0]=4 3669 B12R1.477 CCC(=O)COCc1ccon1 34a_100000725409_100000234950 [0,1,0,0,0,1|2,0,0]=4 3670 B12R1.477 CCC(=O)COCc1ccsc1 34a_100000725409_100011261437 [0,1,0,0,0,1|2,0,0]=4 3671 B12R1.477 CCC(=O)COCc1cncs1 34a_100000725409_100015185245 [0,1,0,0,0,1|1,1,0]=4 3672 B12R1.477 CCC(=O)COCc1cscn1 34a_100000725409_100000205941 [0,1,0,0,0,1|2,0,0]=4 3673 B12R1.477 CCC(=O)COCc1ncc[nH]1 34a_100000725409_100016991755 [0,1,0,0,0,1|2,0,0]=4 3674 B12R1.477 CCC(=O)COCc1ncco1 34a_100000725409_103436540062 [0,1,0,0,0,1|1,0,0]=3 3675 B12R1.477 CCC(=O)COCc1nccs1 34a_100000725409_100015184050 [0,1,0,0,0,1|1,1,0]=4 3676 B12R1.477 CCC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747405 [0,1,0,0,0,1|2,0,0]=4 3677 B12R1.477 CCC(=O)CSCc1c[nH]cn1 62a_100000747405_100000707719 [0,1,0,0,0,1|2,0,0]=4 3678 B12R1.477 CCC(=O)CSCc1ccn[nH]1 62a_100000728653_100000747405 [0,1,0,0,0,1|2,0,0]=4 3679 B12R1.477 CCC(=O)CSCc1ccn[nH]1 62a_100000747405_100000728653 [0,1,0,0,0,1|2,0,0]=4 3680 B12R1.477 CCC(=O)CSCc1ccon1 62a_100000234950_100000747405 [0,1,0,0,0,1|2,0,0]=4 3681 B12R1.477 CCC(=O)CSCc1ccon1 62a_100000747405_100000234950 [0,1,0,0,0,1|2,0,0]=4 3682 B12R1.477 CCC(=O)CSCc1ccsc1 62a_100000747405_100011233845 [0,1,0,0,0,1|2,0,0]=4 3683 B12R1.477 CCC(=O)CSCc1ccsc1 62a_100011261437_100000747405 [0,1,0,0,0,1|2,0,0]=4 3684 B12R1.477 CCC(=O)CSCc1cncs1 62a_100000747405_100015185245 [0,1,0,0,0,1|1,1,0]=4 3685 B12R1.477 CCC(=O)CSCc1cncs1 62a_100015185245_100000747405 [0,1,0,0,0,1|1,1,0]=4 3686 B12R1.477 CCC(=O)CSCc1cscn1 62a_100000205941_100000747405 [0,1,0,0,0,1|2,0,0]=4 3687 B12R1.477 CCC(=O)CSCc1cscn1 62a_100000747405_100000205941 [0,1,0,0,0,1|2,0,0]=4 3688 B12R1.477 CCC(=O)CSCc1ncc[nH]1 62a_100000747405_100016991755 [0,1,0,0,0,1|2,0,0]=4 3689 B12R1.477 CCC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747405 [0,1,0,0,0,1|2,0,0]=4 3690 B12R1.477 CCC(=O)CSCc1ncco1 62a_100000747405_103436540062 [0,1,0,0,0,1|1,0,0]=3 3691 B12R1.477 CCC(=O)CSCc1ncco1 62a_103436540062_100000747405 [0,1,0,0,0,1|1,0,0]=3 3692 B12R1.477 CCC(=O)CSCc1nccs1 62a_100000747405_100015184050 [0,1,0,0,0,1|1,1,0]=4 3693 B12R1.477 CCC(=O)CSCc1nccs1 62a_100015184050_100000747405 [0,1,0,0,0,1|1,1,0]=4 3694 B12R1.477 CCC(=O)NCCc1c[nH]cn1 11a_100000755092_100000210414 [0,1,0,0,0,1|2,0,0]=4 3695 B12R1.477 CCC(=O)NCCc1c[nH]cn1 527a_100000755092_100000210414 [0,1,0,0,0,1|2,0,0]=4 3696 B12R1.477 CCC(=O)NCCc1ccco1 11a_100000694680_100000210414 [0,1,0,0,0,1|0,0,0]=2 3697 B12R1.477 CCC(=O)NCCc1ccco1 1626a_100000694680_100000210414 [0,1,0,0,0,1|0,0,0]=2 3698 B12R1.477 CCC(=O)NCCc1ccco1 240690a_100000694680_100000210414 [0,1,0,0,0,1|0,0,0]=2 3699 B12R1.477 CCC(=O)NCCc1ccco1 527a_100000694680_100000210414 [0,1,0,0,0,1|0,0,0]=2 3700 B12R1.477 CCC(=O)NCCc1cccs1 11a_100000203755_100000210414 [0,1,0,0,0,1|0,1,0]=3 3701 B12R1.477 CCC(=O)NCCc1cccs1 1626a_100000203755_100000210414 [0,1,0,0,0,1|0,1,0]=3 3702 B12R1.477 CCC(=O)NCCc1cccs1 240690a_100000203755_100000210414 [0,1,0,0,0,1|0,1,0]=3 3703 B12R1.477 CCC(=O)NCCc1cccs1 527a_100000203755_100000210414 [0,1,0,0,0,1|0,1,0]=3 3704 B12R1.477 CCC(=O)NCCc1ccsc1 11a_100000692642_100000210414 [0,1,0,0,0,1|2,0,0]=4 3705 B12R1.477 CCC(=O)NCCc1ccsc1 1626a_100000692642_100000210414 [0,1,0,0,0,1|2,0,0]=4 3706 B12R1.477 CCC(=O)NCCc1ccsc1 240690a_100000692642_100000210414 [0,1,0,0,0,1|2,0,0]=4 3707 B12R1.477 CCC(=O)NCCc1ccsc1 527a_100000692642_100000210414 [0,1,0,0,0,1|2,0,0]=4 3708 B12R1.477 CCC(=O)NCCc1cncs1 11a_100016991637_100000210414 [0,1,0,0,0,1|1,1,0]=4 3709 B12R1.477 CCC(=O)NCCc1cncs1 1626a_100016991637_100000210414 [0,1,0,0,0,1|1,1,0]=4 3710 B12R1.477 CCC(=O)NCCc1cncs1 240690a_100016991637_100000210414 [0,1,0,0,0,1|1,1,0]=4 3711 B12R1.477 CCC(=O)NCCc1cncs1 527a_100016991637_100000210414 [0,1,0,0,0,1|1,1,0]=4 3712 B12R1.477 CCC(=O)NCCc1ncc[nH]1 11a_100000754300_100000210414 [0,1,0,0,0,1|2,0,0]=4 3713 B12R1.477 CCC(=O)NCCc1ncc[nH]1 240690a_100000754300_100000210414 [0,1,0,0,0,1|2,0,0]=4 3714 B12R1.477 CCC(=O)NCCc1ncc[nH]1 527a_100000754300_100000210414 [0,1,0,0,0,1|2,0,0]=4 3715 B12R1.477 CCC(=O)NCCc1nccs1 11a_100015186391_100000210414 [0,1,0,0,0,1|1,1,0]=4 3716 B12R1.477 CCC(=O)NCCc1nccs1 1626a_100015186391_100000210414 [0,1,0,0,0,1|1,1,0]=4 3717 B12R1.477 CCC(=O)NCCc1nccs1 240690a_100015186391_100000210414 [0,1,0,0,0,1|1,1,0]=4 3718 B12R1.477 CCC(=O)NCCc1nccs1 527a_100015186391_100000210414 [0,1,0,0,0,1|1,1,0]=4 3719 B12R1.477 CCC(=O)NCCn1cccc1 11a_100011368172_100000210414 [0,1,0,0,0,1|2,0,0]=4 3720 B12R1.477 CCC(=O)NCCn1cccc1 240690a_100011368172_100000210414 [0,1,0,0,0,1|2,0,0]=4 3721 B12R1.477 CCC(=O)NCCn1cccc1 527a_100011368172_100000210414 [0,1,0,0,0,1|2,0,0]=4 3722 B12R1.477 CCC(=O)NCCn1cccn1 11a_100011200920_100000210414 [0,1,0,0,0,1|2,0,0]=4 3723 B12R1.477 CCC(=O)NCCn1cccn1 240690a_100011200920_100000210414 [0,1,0,0,0,1|2,0,0]=4 3724 B12R1.477 CCC(=O)NCCn1cccn1 527a_100011200920_100000210414 [0,1,0,0,0,1|2,0,0]=4 3725 B12R1.477 CCC(=O)NN=Cc1ccco1 4a_100000183195_100000186105 [0,1,0,0,0,1|1,0,1]=4 3726 B12R1.477 CCC(C)CNCc1ccco1 207a_100020588543_100000186105 [0,1,0,0,0,1|1,0,1]=4 3727 B12R1.477 CCC(C)CNCc1ccco1 2230a_100000185738_100000748023 [0,1,0,0,0,1|1,0,1]=4 3728 B12R1.477 CCC(C)CNCc1ccco1 270004a_100000185738_100000243153 [0,1,0,0,0,1|1,0,1]=4 3729 B12R1.477 CCC(C)CNCc1ccco1 270004a_100020588543_100000186105 [0,1,0,0,0,1|1,0,1]=4 3730 B12R1.477 CCC(C)CNCc1ccco1 34a_100000185738_100000748023 [0,1,0,0,0,1|1,0,1]=4 3731 B12R1.477 CCC(C)COCc1ccco1 34a_100000210059_100000748023 [0,1,0,0,0,1|1,0,1]=4 3732 B12R1.477 CCC(C)NCCc1ccco1 2230a_100000694680_100000758301 [0,1,0,0,0,1|1,0,1]=4 3733 B12R1.477 CCC(C)NCCc1ccco1 34a_100000694680_100011215416 [0,1,0,0,0,1|1,0,1]=4 3734 B12R1.477 CCC(O)CNCc1ccco1 207a_100011218483_100000186105 [0,1,0,0,0,1|0,0,2]=4 3735 B12R1.477 CCC(O)CNCc1ccco1 2230a_100000185738_100011218378 [0,1,0,0,0,1|0,0,2]=4 3736 B12R1.477 CCC(O)CNCc1ccco1 270004a_100011218483_100000186105 [0,1,0,0,0,1|0,0,2]=4 3737 B12R1.477 CCC(O)CNCc1ccco1 34a_100000185738_100011218378 [0,1,0,0,0,1|0,0,2]=4 3738 B12R1.477 CCC(O)COCc1ccco1 34a_100000210059_100011218378 [0,1,0,0,0,1|0,0,2]=4 3739 B12R1.477 CC[C@H](C)CNCc1ccco1 2230a_100000185738_100009816398 [0,1,0,0,0,1|1,0,1]=4 3740 B12R1.477 CC[C@H](C)CNCc1ccco1 34a_100000185738_100009816398 [0,1,0,0,0,1|1,0,1]=4 3741 B12R1.477 CC[C@H](C)COCc1ccco1 34a_100000210059_100009816398 [0,1,0,0,0,1|1,0,1]=4 3742 B12R1.477 CNC(=O)CCCc1cccs1 11a_106832991635_100000184482 [0,1,0,0,0,1|0,1,0]=3 3743 B12R1.477 CNC(=O)CCCc1cccs1 1626a_100102657272_100000184482 [0,1,0,0,0,1|0,1,0]=3 3744 B12R1.477 CNC(=O)CCCc1cccs1 240690a_100102657272_100000184482 [0,1,0,0,0,1|0,1,0]=3 3745 B12R1.477 CNC(=O)CCCc1cccs1 527a_100102657272_100000184482 [0,1,0,0,0,1|0,1,0]=3 3746 B12R1.477 CNC(=O)CCCn1cccc1 11a_106832991635_100000691410 [0,1,0,0,0,1|2,0,0]=4 3747 B12R1.477 CNC(=O)CCCn1cccc1 1626a_100102657272_100000691410 [0,1,0,0,0,1|2,0,0]=4 3748 B12R1.477 CNC(=O)CCCn1cccc1 527a_100102657272_100000691410 [0,1,0,0,0,1|2,0,0]=4 3749 B12R1.477 CNC(=O)CCCn1cccn1 11a_106832991635_100000742828 [0,1,0,0,0,1|2,0,0]=4 3750 B12R1.477 CNC(=O)CCCn1cccn1 1626a_100102657272_100000742828 [0,1,0,0,0,1|2,0,0]=4 3751 B12R1.477 CNC(=O)CCCn1cccn1 240690a_100102657272_100000742828 [0,1,0,0,0,1|2,0,0]=4 3752 B12R1.477 CNC(=O)CCCn1cccn1 527a_100102657272_100000742828 [0,1,0,0,0,1|2,0,0]=4 3753 B12R1.477 CNC(=O)CCOc1ccsc1 34a_100000106738_100012179268 [0,1,0,0,0,1|2,0,0]=4 3754 B12R1.477 CNC(=O)CCOc1ccsc1 7a_100000106738_100000737683 [0,1,0,0,0,1|2,0,0]=4 3755 B12R1.477 CNC(=O)CCSc1c[nH]cn1 62a_100000737683_100000756875 [0,1,0,0,0,1|2,0,0]=4 3756 B12R1.477 CNC(=O)CCSc1c[nH]cn1 62a_100000756875_100000737683 [0,1,0,0,0,1|2,0,0]=4 3757 B12R1.477 CNC(=O)CCSc1cc[nH]n1 62a_100000062575_100000737683 [0,1,0,0,0,1|2,0,0]=4 3758 B12R1.477 CNC(=O)CCSc1cc[nH]n1 62a_100000737683_100000062575 [0,1,0,0,0,1|2,0,0]=4 3759 B12R1.477 CNC(=O)CCSc1ccco1 62a_100000737683_100009814098 [0,1,0,0,0,1|0,0,0]=2 3760 B12R1.477 CNC(=O)CCSc1ccco1 62a_100009814098_100000737683 [0,1,0,0,0,1|0,0,0]=2 3761 B12R1.477 CNC(=O)CCSc1cccs1 62a_100000737683_100011215356 [0,1,0,0,0,1|0,1,0]=3 3762 B12R1.477 CNC(=O)CCSc1cccs1 62a_100011215356_100000737683 [0,1,0,0,0,1|0,1,0]=3 3763 B12R1.477 CNC(=O)CCSc1ccoc1 62a_100000737683_100011215275 [0,1,0,0,0,1|2,0,0]=4 3764 B12R1.477 CNC(=O)CCSc1ccoc1 62a_100011215275_100000737683 [0,1,0,0,0,1|2,0,0]=4 3765 B12R1.477 CNC(=O)CCSc1ccon1 62a_100000737683_100009818083 [0,1,0,0,0,1|2,0,0]=4 3766 B12R1.477 CNC(=O)CCSc1ccon1 62a_100009818083_100000737683 [0,1,0,0,0,1|2,0,0]=4 3767 B12R1.477 CNC(=O)CCSc1ccsc1 62a_100000737683_100000738268 [0,1,0,0,0,1|2,0,0]=4 3768 B12R1.477 CNC(=O)CCSc1ccsc1 62a_100000738268_100000737683 [0,1,0,0,0,1|2,0,0]=4 3769 B12R1.477 CNC(=O)CCSc1ccsn1 62a_100000737683_100009818082 [0,1,0,0,0,1|2,0,0]=4 3770 B12R1.477 CNC(=O)CCSc1ccsn1 62a_100009818082_100000737683 [0,1,0,0,0,1|2,0,0]=4 3771 B12R1.477 CNC(=O)CCSc1cnco1 62a_100000737683_100020591547 [0,1,0,0,0,1|1,0,0]=3 3772 B12R1.477 CNC(=O)CCSc1cnco1 62a_100020591547_100000737683 [0,1,0,0,0,1|1,0,0]=3 3773 B12R1.477 CNC(=O)CCSc1cncs1 62a_100000737683_100011934649 [0,1,0,0,0,1|1,1,0]=4 3774 B12R1.477 CNC(=O)CCSc1cncs1 62a_100011934649_100000737683 [0,1,0,0,0,1|1,1,0]=4 3775 B12R1.477 CNC(=O)CCSc1cscn1 62a_100000737683_100000751502 [0,1,0,0,0,1|2,0,0]=4 3776 B12R1.477 CNC(=O)CCSc1cscn1 62a_100000751502_100000737683 [0,1,0,0,0,1|2,0,0]=4 3777 B12R1.477 CNC(=O)CCSc1ncc[nH]1 62a_100000737683_100025796157 [0,1,0,0,0,1|2,0,0]=4 3778 B12R1.477 CNC(=O)CCSc1ncc[nH]1 62a_100025796157_100000737683 [0,1,0,0,0,1|2,0,0]=4 3779 B12R1.477 CNC(=O)CCSc1ncco1 62a_100000737683_100011787736 [0,1,0,0,0,1|1,0,0]=3 3780 B12R1.477 CNC(=O)CCSc1ncco1 62a_100011787736_100000737683 [0,1,0,0,0,1|1,0,0]=3 3781 B12R1.477 CNC(=O)CCSc1nccs1 62a_100000211983_100000737683 [0,1,0,0,0,1|1,1,0]=4 3782 B12R1.477 CNC(=O)CCSc1nccs1 62a_100000737683_100000211983 [0,1,0,0,0,1|1,1,0]=4 3783 B12R1.477 CNC(=O)CNCc1c[nH]cn1 2230a_100000693194_100000707719 [0,1,0,0,0,1|2,0,0]=4 3784 B12R1.477 CNC(=O)CNCc1cc[nH]n1 207a_100000693194_100000738523 [0,1,0,0,0,1|2,0,0]=4 3785 B12R1.477 CNC(=O)CNCc1cc[nH]n1 270004a_100000693194_100000738523 [0,1,0,0,0,1|2,0,0]=4 3786 B12R1.477 CNC(=O)CNCc1ccco1 207a_100000693194_100000186105 [0,1,0,0,0,1|0,0,0]=2 3787 B12R1.477 CNC(=O)CNCc1ccco1 2230a_100000185738_100000183359 [0,1,0,0,0,1|0,0,0]=2 3788 B12R1.477 CNC(=O)CNCc1ccco1 270004a_100000693194_100000186105 [0,1,0,0,0,1|0,0,0]=2 3789 B12R1.477 CNC(=O)CNCc1ccco1 34a_100000185738_100000183359 [0,1,0,0,0,1|0,0,0]=2 3790 B12R1.477 CNC(=O)CNCc1cccs1 207a_100000693194_100000209959 [0,1,0,0,0,1|0,1,0]=3 3791 B12R1.477 CNC(=O)CNCc1cccs1 2230a_100000211653_100000183359 [0,1,0,0,0,1|0,1,0]=3 3792 B12R1.477 CNC(=O)CNCc1cccs1 270004a_100000693194_100000209959 [0,1,0,0,0,1|0,1,0]=3 3793 B12R1.477 CNC(=O)CNCc1ccn[nH]1 2230a_100000693194_100000728653 [0,1,0,0,0,1|2,0,0]=4 3794 B12R1.477 CNC(=O)CNCc1ccoc1 207a_100000693194_100011215517 [0,1,0,0,0,1|2,0,0]=4 3795 B12R1.477 CNC(=O)CNCc1ccoc1 2230a_100015206860_100000183359 [0,1,0,0,0,1|2,0,0]=4 3796 B12R1.477 CNC(=O)CNCc1ccoc1 270004a_100000693194_100011215517 [0,1,0,0,0,1|2,0,0]=4 3797 B12R1.477 CNC(=O)CNCc1ccoc1 34a_100015206860_100000183359 [0,1,0,0,0,1|2,0,0]=4 3798 B12R1.477 CNC(=O)CNCc1ccon1 2230a_100000693194_100000234950 [0,1,0,0,0,1|2,0,0]=4 3799 B12R1.477 CNC(=O)CNCc1ccsc1 207a_100000693194_100000188534 [0,1,0,0,0,1|2,0,0]=4 3800 B12R1.477 CNC(=O)CNCc1ccsc1 2230a_100000186416_100000183359 [0,1,0,0,0,1|2,0,0]=4 3801 B12R1.477 CNC(=O)CNCc1ccsc1 2230a_100000693194_100011261437 [0,1,0,0,0,1|2,0,0]=4 3802 B12R1.477 CNC(=O)CNCc1ccsc1 270004a_100000693194_100000188534 [0,1,0,0,0,1|2,0,0]=4 3803 B12R1.477 CNC(=O)CNCc1ccsc1 34a_100000186416_100000183359 [0,1,0,0,0,1|2,0,0]=4 3804 B12R1.477 CNC(=O)CNCc1cnc[nH]1 207a_100000693194_100000742939 [0,1,0,0,0,1|2,0,0]=4 3805 B12R1.477 CNC(=O)CNCc1cnco1 270004a_100000693194_100000064291 [0,1,0,0,0,1|1,0,0]=3 3806 B12R1.477 CNC(=O)CNCc1cncs1 207a_100000693194_100000749870 [0,1,0,0,0,1|1,1,0]=4 3807 B12R1.477 CNC(=O)CNCc1cncs1 2230a_100000693194_100015185245 [0,1,0,0,0,1|1,1,0]=4 3808 B12R1.477 CNC(=O)CNCc1cncs1 2230a_100016987365_100000183359 [0,1,0,0,0,1|1,1,0]=4 3809 B12R1.477 CNC(=O)CNCc1cncs1 270004a_100000693194_100000749870 [0,1,0,0,0,1|1,1,0]=4 3810 B12R1.477 CNC(=O)CNCc1cocn1 270004a_100000693194_100000050382 [0,1,0,0,0,1|2,0,0]=4 3811 B12R1.477 CNC(=O)CNCc1cscn1 207a_100000693194_100000743575 [0,1,0,0,0,1|2,0,0]=4 3812 B12R1.477 CNC(=O)CNCc1cscn1 2230a_100000693194_100000205941 [0,1,0,0,0,1|2,0,0]=4 3813 B12R1.477 CNC(=O)CNCc1cscn1 2230a_100015185402_100000183359 [0,1,0,0,0,1|2,0,0]=4 3814 B12R1.477 CNC(=O)CNCc1cscn1 270004a_100000693194_100000743575 [0,1,0,0,0,1|2,0,0]=4 3815 B12R1.477 CNC(=O)CNCc1ncc[nH]1 207a_100000693194_100000743867 [0,1,0,0,0,1|2,0,0]=4 3816 B12R1.477 CNC(=O)CNCc1ncc[nH]1 2230a_100000693194_100016991755 [0,1,0,0,0,1|2,0,0]=4 3817 B12R1.477 CNC(=O)CNCc1ncco1 2230a_100000693194_103436540062 [0,1,0,0,0,1|1,0,0]=3 3818 B12R1.477 CNC(=O)CNCc1ncco1 2230a_100016994969_100000183359 [0,1,0,0,0,1|1,0,0]=3 3819 B12R1.477 CNC(=O)CNCc1ncco1 270004a_100000693194_100000064290 [0,1,0,0,0,1|1,0,0]=3 3820 B12R1.477 CNC(=O)CNCc1nccs1 207a_100000693194_100000750902 [0,1,0,0,0,1|1,1,0]=4 3821 B12R1.477 CNC(=O)CNCc1nccs1 2230a_100000693194_100015184050 [0,1,0,0,0,1|1,1,0]=4 3822 B12R1.477 CNC(=O)CNCc1nccs1 2230a_100000740555_100000183359 [0,1,0,0,0,1|1,1,0]=4 3823 B12R1.477 CNC(=O)CNCc1nccs1 270004a_100000693194_100000750902 [0,1,0,0,0,1|1,1,0]=4 3824 B12R1.477 CNC(=O)COCc1c[nH]cn1 34a_100000750040_100000707719 [0,1,0,0,0,1|2,0,0]=4 3825 B12R1.477 CNC(=O)COCc1ccco1 34a_100000210059_100000183359 [0,1,0,0,0,1|0,0,0]=2 3826 B12R1.477 CNC(=O)COCc1cccs1 34a_100000211240_100000183359 [0,1,0,0,0,1|0,1,0]=3 3827 B12R1.477 CNC(=O)COCc1ccn[nH]1 34a_100000750040_100000728653 [0,1,0,0,0,1|2,0,0]=4 3828 B12R1.477 CNC(=O)COCc1ccno1 34a_100000740478_100000183359 [0,1,0,0,0,1|1,0,0]=3 3829 B12R1.477 CNC(=O)COCc1ccoc1 34a_100011215357_100000183359 [0,1,0,0,0,1|2,0,0]=4 3830 B12R1.477 CNC(=O)COCc1ccon1 34a_100000750040_100000234950 [0,1,0,0,0,1|2,0,0]=4 3831 B12R1.477 CNC(=O)COCc1ccsc1 34a_100000750040_100011261437 [0,1,0,0,0,1|2,0,0]=4 3832 B12R1.477 CNC(=O)COCc1ccsc1 34a_100011215551_100000183359 [0,1,0,0,0,1|2,0,0]=4 3833 B12R1.477 CNC(=O)COCc1cncs1 34a_100000750040_100015185245 [0,1,0,0,0,1|1,1,0]=4 3834 B12R1.477 CNC(=O)COCc1cscn1 34a_100000750040_100000205941 [0,1,0,0,0,1|2,0,0]=4 3835 B12R1.477 CNC(=O)COCc1ncc[nH]1 34a_100000750040_100016991755 [0,1,0,0,0,1|2,0,0]=4 3836 B12R1.477 CNC(=O)COCc1ncco1 34a_100000062594_100000183359 [0,1,0,0,0,1|1,0,0]=3 3837 B12R1.477 CNC(=O)COCc1ncco1 34a_100000750040_103436540062 [0,1,0,0,0,1|1,0,0]=3 3838 B12R1.477 CNC(=O)COCc1nccs1 34a_100000750040_100015184050 [0,1,0,0,0,1|1,1,0]=4 3839 B12R1.477 CNC(=O)COCn1cccn1 34a_100000731028_100000183359 [0,1,0,0,0,1|2,0,0]=4 3840 B12R1.477 CNC(=O)CSCc1c[nH]cn1 62a_100000183359_100000707719 [0,1,0,0,0,1|2,0,0]=4 3841 B12R1.477 CNC(=O)CSCc1c[nH]cn1 62a_100000707719_100000183359 [0,1,0,0,0,1|2,0,0]=4 3842 B12R1.477 CNC(=O)CSCc1ccn[nH]1 62a_100000183359_100000728653 [0,1,0,0,0,1|2,0,0]=4 3843 B12R1.477 CNC(=O)CSCc1ccn[nH]1 62a_100000728653_100000183359 [0,1,0,0,0,1|2,0,0]=4 3844 B12R1.477 CNC(=O)CSCc1ccon1 62a_100000183359_100000234950 [0,1,0,0,0,1|2,0,0]=4 3845 B12R1.477 CNC(=O)CSCc1ccon1 62a_100000234950_100000183359 [0,1,0,0,0,1|2,0,0]=4 3846 B12R1.477 CNC(=O)CSCc1ccsc1 62a_100000183359_100011233845 [0,1,0,0,0,1|2,0,0]=4 3847 B12R1.477 CNC(=O)CSCc1ccsc1 62a_100011261437_100000183359 [0,1,0,0,0,1|2,0,0]=4 3848 B12R1.477 CNC(=O)CSCc1cncs1 62a_100000183359_100015185245 [0,1,0,0,0,1|1,1,0]=4 3849 B12R1.477 CNC(=O)CSCc1cncs1 62a_100015185245_100000183359 [0,1,0,0,0,1|1,1,0]=4 3850 B12R1.477 CNC(=O)CSCc1cscn1 62a_100000183359_100000205941 [0,1,0,0,0,1|2,0,0]=4 3851 B12R1.477 CNC(=O)CSCc1cscn1 62a_100000205941_100000183359 [0,1,0,0,0,1|2,0,0]=4 3852 B12R1.477 CNC(=O)CSCc1ncc[nH]1 62a_100000183359_100016991755 [0,1,0,0,0,1|2,0,0]=4 3853 B12R1.477 CNC(=O)CSCc1ncc[nH]1 62a_100016991755_100000183359 [0,1,0,0,0,1|2,0,0]=4 3854 B12R1.477 CNC(=O)CSCc1ncco1 62a_100000183359_103436540062 [0,1,0,0,0,1|1,0,0]=3 3855 B12R1.477 CNC(=O)CSCc1ncco1 62a_103436540062_100000183359 [0,1,0,0,0,1|1,0,0]=3 3856 B12R1.477 CNC(=O)CSCc1nccs1 62a_100000183359_100015184050 [0,1,0,0,0,1|1,1,0]=4 3857 B12R1.477 CNC(=O)CSCc1nccs1 62a_100015184050_100000183359 [0,1,0,0,0,1|1,1,0]=4 3858 B12R1.477 CNC(=O)NCCc1c[nH]cn1 2708a_100000755092_106832991635 [0,1,0,0,0,1|2,0,0]=4 3859 B12R1.477 CNC(=O)NCCc1c[nH]cn1 2708a_100102657272_100000755092 [0,1,0,0,0,1|2,0,0]=4 3860 B12R1.477 CNC(=O)NCCc1c[nH]cn1 273464a_100000755092_100102657272 [0,1,0,0,0,1|2,0,0]=4 3861 B12R1.477 CNC(=O)NCCc1c[nH]cn1 273464a_100102657272_100000755092 [0,1,0,0,0,1|2,0,0]=4 3862 B12R1.477 CNC(=O)NCCc1c[nH]cn1 512a_100000755092_100102657272 [0,1,0,0,0,1|2,0,0]=4 3863 B12R1.477 CNC(=O)NCCc1c[nH]cn1 512a_106832991638_100000755092 [0,1,0,0,0,1|2,0,0]=4 3864 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100000694680_106832991635 [0,1,0,0,0,1|0,0,0]=2 3865 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100102657272_100000694680 [0,1,0,0,0,1|0,0,0]=2 3866 B12R1.477 CNC(=O)NCCc1ccco1 273464a_100000694680_100102657272 [0,1,0,0,0,1|0,0,0]=2 3867 B12R1.477 CNC(=O)NCCc1ccco1 512a_100000694680_100102657272 [0,1,0,0,0,1|0,0,0]=2 3868 B12R1.477 CNC(=O)NCCc1ccco1 512a_106832991638_100000694680 [0,1,0,0,0,1|0,0,0]=2 3869 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100000203755_106832991635 [0,1,0,0,0,1|0,1,0]=3 3870 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100102657272_100000203755 [0,1,0,0,0,1|0,1,0]=3 3871 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100000203755_100102657272 [0,1,0,0,0,1|0,1,0]=3 3872 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100102657272_100000203755 [0,1,0,0,0,1|0,1,0]=3 3873 B12R1.477 CNC(=O)NCCc1cccs1 512a_100000203755_100102657272 [0,1,0,0,0,1|0,1,0]=3 3874 B12R1.477 CNC(=O)NCCc1cccs1 512a_106832991638_100000203755 [0,1,0,0,0,1|0,1,0]=3 3875 B12R1.477 CNC(=O)NCCc1ccsc1 2708a_100000692642_106832991635 [0,1,0,0,0,1|2,0,0]=4 3876 B12R1.477 CNC(=O)NCCc1ccsc1 2708a_100102657272_100000692642 [0,1,0,0,0,1|2,0,0]=4 3877 B12R1.477 CNC(=O)NCCc1ccsc1 273464a_100000692642_100102657272 [0,1,0,0,0,1|2,0,0]=4 3878 B12R1.477 CNC(=O)NCCc1ccsc1 273464a_100102657272_100000692642 [0,1,0,0,0,1|2,0,0]=4 3879 B12R1.477 CNC(=O)NCCc1ccsc1 512a_100000692642_100102657272 [0,1,0,0,0,1|2,0,0]=4 3880 B12R1.477 CNC(=O)NCCc1ccsc1 512a_106832991638_100000692642 [0,1,0,0,0,1|2,0,0]=4 3881 B12R1.477 CNC(=O)NCCc1cncs1 2708a_100016991637_106832991635 [0,1,0,0,0,1|1,1,0]=4 3882 B12R1.477 CNC(=O)NCCc1cncs1 2708a_100102657272_100016991637 [0,1,0,0,0,1|1,1,0]=4 3883 B12R1.477 CNC(=O)NCCc1cncs1 273464a_100016991637_100102657272 [0,1,0,0,0,1|1,1,0]=4 3884 B12R1.477 CNC(=O)NCCc1cncs1 273464a_100102657272_100016991637 [0,1,0,0,0,1|1,1,0]=4 3885 B12R1.477 CNC(=O)NCCc1cncs1 512a_100016991637_100102657272 [0,1,0,0,0,1|1,1,0]=4 3886 B12R1.477 CNC(=O)NCCc1cncs1 512a_106832991638_100016991637 [0,1,0,0,0,1|1,1,0]=4 3887 B12R1.477 CNC(=O)NCCc1ncc[nH]1 2708a_100000754300_106832991635 [0,1,0,0,0,1|2,0,0]=4 3888 B12R1.477 CNC(=O)NCCc1ncc[nH]1 2708a_100102657272_100000754300 [0,1,0,0,0,1|2,0,0]=4 3889 B12R1.477 CNC(=O)NCCc1ncc[nH]1 273464a_100000754300_100102657272 [0,1,0,0,0,1|2,0,0]=4 3890 B12R1.477 CNC(=O)NCCc1ncc[nH]1 273464a_100102657272_100000754300 [0,1,0,0,0,1|2,0,0]=4 3891 B12R1.477 CNC(=O)NCCc1ncc[nH]1 512a_100000754300_100102657272 [0,1,0,0,0,1|2,0,0]=4 3892 B12R1.477 CNC(=O)NCCc1ncc[nH]1 512a_106832991638_100000754300 [0,1,0,0,0,1|2,0,0]=4 3893 B12R1.477 CNC(=O)NCCc1nccs1 2708a_100015186391_106832991635 [0,1,0,0,0,1|1,1,0]=4 3894 B12R1.477 CNC(=O)NCCc1nccs1 2708a_100102657272_100015186391 [0,1,0,0,0,1|1,1,0]=4 3895 B12R1.477 CNC(=O)NCCc1nccs1 273464a_100015186391_100102657272 [0,1,0,0,0,1|1,1,0]=4 3896 B12R1.477 CNC(=O)NCCc1nccs1 273464a_100102657272_100015186391 [0,1,0,0,0,1|1,1,0]=4 3897 B12R1.477 CNC(=O)NCCc1nccs1 512a_100015186391_100102657272 [0,1,0,0,0,1|1,1,0]=4 3898 B12R1.477 CNC(=O)NCCc1nccs1 512a_106832991638_100015186391 [0,1,0,0,0,1|1,1,0]=4 3899 B12R1.477 CNC(=O)NCCn1cccc1 2708a_100011368172_106832991635 [0,1,0,0,0,1|2,0,0]=4 3900 B12R1.477 CNC(=O)NCCn1cccc1 2708a_100102657272_100011368172 [0,1,0,0,0,1|2,0,0]=4 3901 B12R1.477 CNC(=O)NCCn1cccc1 273464a_100011368172_100102657272 [0,1,0,0,0,1|2,0,0]=4 3902 B12R1.477 CNC(=O)NCCn1cccc1 273464a_100102657272_100011368172 [0,1,0,0,0,1|2,0,0]=4 3903 B12R1.477 CNC(=O)NCCn1cccc1 512a_100011368172_100102657272 [0,1,0,0,0,1|2,0,0]=4 3904 B12R1.477 CNC(=O)NCCn1cccc1 512a_106832991638_100011368172 [0,1,0,0,0,1|2,0,0]=4 3905 B12R1.477 CNC(=O)NCCn1cccn1 2708a_100011200920_106832991635 [0,1,0,0,0,1|2,0,0]=4 3906 B12R1.477 CNC(=O)NCCn1cccn1 2708a_100102657272_100011200920 [0,1,0,0,0,1|2,0,0]=4 3907 B12R1.477 CNC(=O)NCCn1cccn1 273464a_100011200920_100102657272 [0,1,0,0,0,1|2,0,0]=4 3908 B12R1.477 CNC(=O)NCCn1cccn1 273464a_100102657272_100011200920 [0,1,0,0,0,1|2,0,0]=4 3909 B12R1.477 CNC(=O)NCCn1cccn1 512a_100011200920_100102657272 [0,1,0,0,0,1|2,0,0]=4 3910 B12R1.477 CNC(=O)NCCn1cccn1 512a_106832991638_100011200920 [0,1,0,0,0,1|2,0,0]=4 3911 B12R1.477 CNC(C)CSCc1ccco1 270004a_106832991635_200000149978 [0,1,0,0,0,1|1,0,1]=4 3912 B12R1.477 COC(=O)CCOc1ccsc1 34a_100000106738_100000742370 [0,1,0,0,0,1|2,0,0]=4 3913 B12R1.477 COC(=O)CCOc1ccsc1 7a_100000106738_100000204255 [0,1,0,0,0,1|2,0,0]=4 3914 B12R1.477 COC(=O)CCSc1c[nH]cn1 62a_100000204255_100000756875 [0,1,0,0,0,1|2,0,0]=4 3915 B12R1.477 COC(=O)CCSc1c[nH]cn1 62a_100000756875_100000204255 [0,1,0,0,0,1|2,0,0]=4 3916 B12R1.477 COC(=O)CCSc1cc[nH]n1 62a_100000062575_100000204255 [0,1,0,0,0,1|2,0,0]=4 3917 B12R1.477 COC(=O)CCSc1cc[nH]n1 62a_100000204255_100000062575 [0,1,0,0,0,1|2,0,0]=4 3918 B12R1.477 COC(=O)CCSc1ccco1 62a_100000204255_100009814098 [0,1,0,0,0,1|0,0,0]=2 3919 B12R1.477 COC(=O)CCSc1ccco1 62a_100009814098_100000204255 [0,1,0,0,0,1|0,0,0]=2 3920 B12R1.477 COC(=O)CCSc1cccs1 62a_100000204255_100011215356 [0,1,0,0,0,1|0,1,0]=3 3921 B12R1.477 COC(=O)CCSc1cccs1 62a_100011215356_100000204255 [0,1,0,0,0,1|0,1,0]=3 3922 B12R1.477 COC(=O)CCSc1ccoc1 62a_100000204255_100011215275 [0,1,0,0,0,1|2,0,0]=4 3923 B12R1.477 COC(=O)CCSc1ccoc1 62a_100011215275_100000204255 [0,1,0,0,0,1|2,0,0]=4 3924 B12R1.477 COC(=O)CCSc1ccon1 62a_100000204255_100009818083 [0,1,0,0,0,1|2,0,0]=4 3925 B12R1.477 COC(=O)CCSc1ccon1 62a_100009818083_100000204255 [0,1,0,0,0,1|2,0,0]=4 3926 B12R1.477 COC(=O)CCSc1ccsc1 62a_100000204255_100000738268 [0,1,0,0,0,1|2,0,0]=4 3927 B12R1.477 COC(=O)CCSc1ccsc1 62a_100000738268_100000204255 [0,1,0,0,0,1|2,0,0]=4 3928 B12R1.477 COC(=O)CCSc1ccsn1 62a_100000204255_100009818082 [0,1,0,0,0,1|2,0,0]=4 3929 B12R1.477 COC(=O)CCSc1ccsn1 62a_100009818082_100000204255 [0,1,0,0,0,1|2,0,0]=4 3930 B12R1.477 COC(=O)CCSc1cnco1 62a_100000204255_100020591547 [0,1,0,0,0,1|1,0,0]=3 3931 B12R1.477 COC(=O)CCSc1cnco1 62a_100020591547_100000204255 [0,1,0,0,0,1|1,0,0]=3 3932 B12R1.477 COC(=O)CCSc1cncs1 62a_100000204255_100011934649 [0,1,0,0,0,1|1,1,0]=4 3933 B12R1.477 COC(=O)CCSc1cncs1 62a_100011934649_100000204255 [0,1,0,0,0,1|1,1,0]=4 3934 B12R1.477 COC(=O)CCSc1cscn1 62a_100000204255_100000751502 [0,1,0,0,0,1|2,0,0]=4 3935 B12R1.477 COC(=O)CCSc1cscn1 62a_100000751502_100000204255 [0,1,0,0,0,1|2,0,0]=4 3936 B12R1.477 COC(=O)CCSc1ncc[nH]1 62a_100000204255_100025796157 [0,1,0,0,0,1|2,0,0]=4 3937 B12R1.477 COC(=O)CCSc1ncc[nH]1 62a_100025796157_100000204255 [0,1,0,0,0,1|2,0,0]=4 3938 B12R1.477 COC(=O)CCSc1ncco1 62a_100000204255_100011787736 [0,1,0,0,0,1|1,0,0]=3 3939 B12R1.477 COC(=O)CCSc1ncco1 62a_100011787736_100000204255 [0,1,0,0,0,1|1,0,0]=3 3940 B12R1.477 COC(=O)CCSc1nccs1 62a_100000204255_100000211983 [0,1,0,0,0,1|1,1,0]=4 3941 B12R1.477 COC(=O)CCSc1nccs1 62a_100000211983_100000204255 [0,1,0,0,0,1|1,1,0]=4 3942 B12R1.477 COC(=O)CNCc1ccco1 2230a_100000185738_100000747449 [0,1,0,0,0,1|0,0,0]=2 3943 B12R1.477 COC(=O)CNCc1ccco1 34a_100000185738_100000747449 [0,1,0,0,0,1|0,0,0]=2 3944 B12R1.477 COC(=O)CNCc1cccs1 2230a_100000211653_100000747449 [0,1,0,0,0,1|0,1,0]=3 3945 B12R1.477 COC(=O)CNCc1ccoc1 2230a_100015206860_100000747449 [0,1,0,0,0,1|2,0,0]=4 3946 B12R1.477 COC(=O)CNCc1ccoc1 34a_100015206860_100000747449 [0,1,0,0,0,1|2,0,0]=4 3947 B12R1.477 COC(=O)CNCc1ccsc1 2230a_100000186416_100000747449 [0,1,0,0,0,1|2,0,0]=4 3948 B12R1.477 COC(=O)CNCc1ccsc1 34a_100000186416_100000747449 [0,1,0,0,0,1|2,0,0]=4 3949 B12R1.477 COC(=O)CNCc1cncs1 2230a_100016987365_100000747449 [0,1,0,0,0,1|1,1,0]=4 3950 B12R1.477 COC(=O)CNCc1cscn1 2230a_100015185402_100000747449 [0,1,0,0,0,1|2,0,0]=4 3951 B12R1.477 COC(=O)CNCc1ncco1 2230a_100016994969_100000747449 [0,1,0,0,0,1|1,0,0]=3 3952 B12R1.477 COC(=O)CNCc1nccs1 2230a_100000740555_100000747449 [0,1,0,0,0,1|1,1,0]=4 3953 B12R1.477 COC(=O)COCc1ccco1 34a_100000210059_100000747449 [0,1,0,0,0,1|0,0,0]=2 3954 B12R1.477 COC(=O)COCc1cccs1 34a_100000211240_100000747449 [0,1,0,0,0,1|0,1,0]=3 3955 B12R1.477 COC(=O)COCc1ccno1 34a_100000740478_100000747449 [0,1,0,0,0,1|1,0,0]=3 3956 B12R1.477 COC(=O)COCc1ccoc1 34a_100011215357_100000747449 [0,1,0,0,0,1|2,0,0]=4 3957 B12R1.477 COC(=O)COCc1ccsc1 34a_100011215551_100000747449 [0,1,0,0,0,1|2,0,0]=4 3958 B12R1.477 COC(=O)COCc1ncco1 34a_100000062594_100000747449 [0,1,0,0,0,1|1,0,0]=3 3959 B12R1.477 COC(=O)COCn1cccn1 34a_100000731028_100000747449 [0,1,0,0,0,1|2,0,0]=4 3960 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747449 [0,1,0,0,0,1|2,0,0]=4 3961 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000747449_100000707719 [0,1,0,0,0,1|2,0,0]=4 3962 B12R1.477 COC(=O)CSCc1ccn[nH]1 62a_100000728653_100000747449 [0,1,0,0,0,1|2,0,0]=4 3963 B12R1.477 COC(=O)CSCc1ccn[nH]1 62a_100000747449_100000728653 [0,1,0,0,0,1|2,0,0]=4 3964 B12R1.477 COC(=O)CSCc1ccon1 62a_100000234950_100000747449 [0,1,0,0,0,1|2,0,0]=4 3965 B12R1.477 COC(=O)CSCc1ccon1 62a_100000747449_100000234950 [0,1,0,0,0,1|2,0,0]=4 3966 B12R1.477 COC(=O)CSCc1ccsc1 62a_100000747449_100011233845 [0,1,0,0,0,1|2,0,0]=4 3967 B12R1.477 COC(=O)CSCc1ccsc1 62a_100011261437_100000747449 [0,1,0,0,0,1|2,0,0]=4 3968 B12R1.477 COC(=O)CSCc1cncs1 62a_100000747449_100015185245 [0,1,0,0,0,1|1,1,0]=4 3969 B12R1.477 COC(=O)CSCc1cncs1 62a_100015185245_100000747449 [0,1,0,0,0,1|1,1,0]=4 3970 B12R1.477 COC(=O)CSCc1cscn1 62a_100000205941_100000747449 [0,1,0,0,0,1|2,0,0]=4 3971 B12R1.477 COC(=O)CSCc1cscn1 62a_100000747449_100000205941 [0,1,0,0,0,1|2,0,0]=4 3972 B12R1.477 COC(=O)CSCc1ncc[nH]1 62a_100000747449_100016991755 [0,1,0,0,0,1|2,0,0]=4 3973 B12R1.477 COC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747449 [0,1,0,0,0,1|2,0,0]=4 3974 B12R1.477 COC(=O)CSCc1ncco1 62a_100000747449_103436540062 [0,1,0,0,0,1|1,0,0]=3 3975 B12R1.477 COC(=O)CSCc1ncco1 62a_103436540062_100000747449 [0,1,0,0,0,1|1,0,0]=3 3976 B12R1.477 COC(=O)CSCc1nccs1 62a_100000747449_100015184050 [0,1,0,0,0,1|1,1,0]=4 3977 B12R1.477 COC(=O)CSCc1nccs1 62a_100015184050_100000747449 [0,1,0,0,0,1|1,1,0]=4 3978 B12R1.477 COC(=O)OCSc1ccco1 62a_100009814098_100000139417 [0,1,0,0,0,1|1,0,0]=3 3979 B12R1.477 COC(=O)OCSc1cccs1 62a_100011215356_100000139417 [0,1,0,0,0,1|1,1,0]=4 3980 B12R1.477 COC(=O)OCSc1cnco1 62a_100020591547_100000139417 [0,1,0,0,0,1|2,0,0]=4 3981 B12R1.477 COC(=O)OCSc1ncco1 62a_100011787736_100000139417 [0,1,0,0,0,1|2,0,0]=4 3982 B12R1.477 CO[C@H](C)CNCc1ccco1 207a_100020591295_100000186105 [0,1,0,0,0,1|0,0,2]=4 3983 B12R1.477 CO[C@H](C)CNCc1ccco1 270004a_100020591295_100000186105 [0,1,0,0,0,1|0,0,2]=4 3984 B12R1.477 C[C@@H](CO)CNCc1ccco1 2230a_100000185738_100000059175 [0,1,0,0,0,1|0,0,2]=4 3985 B12R1.477 C[C@@H](CO)CNCc1ccco1 34a_100000185738_100000059175 [0,1,0,0,0,1|0,0,2]=4 3986 B12R1.477 C[C@@H](CO)COCc1ccco1 34a_100000210059_100000059175 [0,1,0,0,0,1|0,0,2]=4 3987 B12R1.477 O=C(CF)CCCc1cccs1 1458a_100000184482_100015361967 [0,1,0,0,0,1|0,1,0]=3 3988 B12R1.477 O=C(CF)CCCn1cccc1 1458a_100000691410_100015361967 [0,1,0,0,0,1|2,0,0]=4 3989 B12R1.477 O=C(CF)CCCn1cccn1 1458a_100000742828_100015361967 [0,1,0,0,0,1|2,0,0]=4 3990 B12R1.477 O=C(CO)CCCc1cccs1 1458a_100000210174_100010992444 [0,1,0,0,0,1|0,1,0]=3 3991 B12R1.477 O=C(CO)CCCn1cccc1 1458a_100000210174_200009814367 [0,1,0,0,0,1|2,0,0]=4 3992 B12R1.477 O=C(CO)CCCn1cccn1 1458a_100000210174_100000739983 [0,1,0,0,0,1|2,0,0]=4 3993 B12R1.477 O=C(CO)NCCc1c[nH]cn1 527a_100000755092_100000210174 [0,1,0,0,0,1|2,0,0]=4 3994 B12R1.477 O=C(CO)NCCc1ccco1 240690a_100000694680_100000210174 [0,1,0,0,0,1|0,0,0]=2 3995 B12R1.477 O=C(CO)NCCc1ccco1 527a_100000694680_100000210174 [0,1,0,0,0,1|0,0,0]=2 3996 B12R1.477 O=C(CO)NCCc1cccs1 240690a_100000203755_100000210174 [0,1,0,0,0,1|0,1,0]=3 3997 B12R1.477 O=C(CO)NCCc1cccs1 527a_100000203755_100000210174 [0,1,0,0,0,1|0,1,0]=3 3998 B12R1.477 O=C(CO)NCCc1ccsc1 240690a_100000692642_100000210174 [0,1,0,0,0,1|2,0,0]=4 3999 B12R1.477 O=C(CO)NCCc1ccsc1 527a_100000692642_100000210174 [0,1,0,0,0,1|2,0,0]=4 4000 B12R1.477 O=C(CO)NCCc1cncs1 240690a_100016991637_100000210174 [0,1,0,0,0,1|1,1,0]=4 4001 B12R1.477 O=C(CO)NCCc1cncs1 527a_100016991637_100000210174 [0,1,0,0,0,1|1,1,0]=4 4002 B12R1.477 O=C(CO)NCCc1ncc[nH]1 240690a_100000754300_100000210174 [0,1,0,0,0,1|2,0,0]=4 4003 B12R1.477 O=C(CO)NCCc1ncc[nH]1 527a_100000754300_100000210174 [0,1,0,0,0,1|2,0,0]=4 4004 B12R1.477 O=C(CO)NCCc1nccs1 240690a_100015186391_100000210174 [0,1,0,0,0,1|1,1,0]=4 4005 B12R1.477 O=C(CO)NCCc1nccs1 527a_100015186391_100000210174 [0,1,0,0,0,1|1,1,0]=4 4006 B12R1.477 O=C(CO)NCCn1cccc1 240690a_100011368172_100000210174 [0,1,0,0,0,1|2,0,0]=4 4007 B12R1.477 O=C(CO)NCCn1cccc1 527a_100011368172_100000210174 [0,1,0,0,0,1|2,0,0]=4 4008 B12R1.477 O=C(CO)NCCn1cccn1 240690a_100011200920_100000210174 [0,1,0,0,0,1|2,0,0]=4 4009 B12R1.477 O=C(CO)NCCn1cccn1 527a_100011200920_100000210174 [0,1,0,0,0,1|2,0,0]=4 4010 B12R1.477 OCC(O)CNCc1ccco1 2230a_100000185738_100011219619 [0,1,0,0,0,1|0,0,2]=4 4011 B12R1.477 OCC(O)CNCc1ccco1 34a_100000185738_100011219619 [0,1,0,0,0,1|0,0,2]=4 4012 B12R1.477 OCC(O)COCc1ccco1 34a_100000210059_100011219619 [0,1,0,0,0,1|0,0,2]=4 4013 B12R1.477 OC[C@@H](O)CNCc1ccco1 207a_100020644852_100000186105 [0,1,0,0,0,1|0,0,2]=4 4014 B12R1.477 OC[C@H](F)CNCc1ccco1 207a_100015665980_100000186105 [0,1,0,0,0,1|1,0,1]=4 4015 B12R1.477 OC[C@H](F)CNCc1ccco1 270004a_100015665980_100000186105 [0,1,0,0,0,1|1,0,1]=4 4016 B12R1.477 OC[C@H](O)CNCc1ccco1 2230a_100000185738_100009815848 [0,1,0,0,0,1|0,0,2]=4 4017 B12R1.477 OC[C@H](O)CNCc1ccco1 34a_100000185738_100009815848 [0,1,0,0,0,1|0,0,2]=4 4018 B12R1.477 OC[C@H](O)COCc1ccco1 34a_100000210059_100009815848 [0,1,0,0,0,1|0,0,2]=4 4019 B12R1.477 O[C@@H](CF)CNCc1ccco1 2230a_100000185738_100015614560 [0,1,0,0,0,1|0,0,2]=4 4020 B12R1.477 O[C@@H](CF)CNCc1ccco1 34a_100000185738_100015614560 [0,1,0,0,0,1|0,0,2]=4 4021 B12R1.477 O[C@@H](CF)COCc1ccco1 34a_100000210059_100015614560 [0,1,0,0,0,1|0,0,2]=4 4022 B12R1.890 CC(C)(C)CCSc1ccco1 62a_100000755188_100009814098 [0,1,0,0,0,1|1,0,1]=4 4023 B12R1.890 CC(C)(C)CCSc1ccco1 62a_100009814098_100000755188 [0,1,0,0,0,1|1,0,1]=4 4024 B12R1.890 CC(C)(C)CNCc1ccco1 207a_100000743828_100000186105 [0,1,0,0,0,1|1,0,1]=4 4025 B12R1.890 CC(C)(C)CNCc1ccco1 270004a_100000185738_100011204126 [0,1,0,0,0,1|1,0,1]=4 4026 B12R1.890 CC(C)(C)CNCc1ccco1 270004a_100000743828_100000186105 [0,1,0,0,0,1|1,0,1]=4 4027 B12R1.890 CC(C)(C)CNCc1ccco1 34a_100000185738_100011219605 [0,1,0,0,0,1|1,0,1]=4 4028 B12R1.890 CC(C)(C)COCc1ccco1 34a_100000210059_100011219605 [0,1,0,0,0,1|1,0,1]=4 4029 B12R1.890 CC(C)(C)NCCc1ccco1 34a_100000694680_100000210625 [0,1,0,0,0,1|1,0,1]=4 4030 B12R1.890 CC(C)(F)CNCc1ccco1 207a_100020643315_100000186105 [0,1,0,0,0,1|1,0,1]=4 4031 B12R1.890 CC(C)(F)CNCc1ccco1 270004a_100020643315_100000186105 [0,1,0,0,0,1|1,0,1]=4 4032 B12R1.890 CC(C)(F)CNCc1ccco1 34a_100000185738_100011997219 [0,1,0,0,0,1|1,0,1]=4 4033 B12R1.890 CC(C)(F)COCc1ccco1 34a_100000210059_100011997219 [0,1,0,0,0,1|1,0,1]=4 4034 B12R1.890 CC(C)(O)CCSc1ccco1 62a_100000702414_100009814098 [0,1,0,0,0,1|0,0,2]=4 4035 B12R1.890 CC(C)(O)CCSc1ccco1 62a_100009814098_100000702414 [0,1,0,0,0,1|0,0,2]=4 4036 B12R1.890 CC(C)(O)CNCc1ccco1 207a_100000751335_100000186105 [0,1,0,0,0,1|0,0,2]=4 4037 B12R1.890 CC(C)(O)CNCc1ccco1 270004a_100000751335_100000186105 [0,1,0,0,0,1|0,0,2]=4 4038 B12R1.890 CC(C)(O)CNCc1ccco1 34a_100000185738_100000764493 [0,1,0,0,0,1|0,0,2]=4 4039 B12R1.890 CC(C)(O)COCc1ccco1 34a_100000210059_100000764493 [0,1,0,0,0,1|0,0,2]=4 4040 B12R1.890 CC(F)(F)CNCc1ccco1 207a_100000731000_100000186105 [0,1,0,0,0,1|1,0,1]=4 4041 B12R1.890 CC(F)(F)CNCc1ccco1 270004a_100000731000_100000186105 [0,1,0,0,0,1|1,0,1]=4 4042 B12R1.890 CS(=O)(=O)CCSc1ccco1 62a_100000731031_100009814098 [0,1,0,0,0,1|1,0,0]=3 4043 B12R1.890 CS(=O)(=O)CCSc1ccco1 62a_100009814098_100000230027 [0,1,0,0,0,1|1,0,0]=3 4044 B12R1.890 CS(=O)(=O)CCSc1cccs1 62a_100000731031_100011215356 [0,1,0,0,0,1|1,1,0]=4 4045 B12R1.890 CS(=O)(=O)CCSc1cccs1 62a_100011215356_100000230027 [0,1,0,0,0,1|1,1,0]=4 4046 B12R1.890 CS(=O)(=O)CCSc1cnco1 62a_100000731031_100020591547 [0,1,0,0,0,1|2,0,0]=4 4047 B12R1.890 CS(=O)(=O)CCSc1cnco1 62a_100020591547_100000230027 [0,1,0,0,0,1|2,0,0]=4 4048 B12R1.890 CS(=O)(=O)CCSc1ncco1 62a_100000731031_100011787736 [0,1,0,0,0,1|2,0,0]=4 4049 B12R1.890 CS(=O)(=O)CCSc1ncco1 62a_100011787736_100000230027 [0,1,0,0,0,1|2,0,0]=4 4050 B12R1.890 CS(=O)(=O)NCCc1ccco1 40a_100000694680_100000738038 [0,1,0,0,0,1|1,0,0]=3 4051 B12R1.890 CS(=O)(=O)NCCc1cccs1 40a_100000203755_100000738038 [0,1,0,0,0,1|1,1,0]=4 4052 B12R1.890 C[N+](C)(C)CCSc1ccco1 62a_100000085578_100009814098 [0,1,0,0,0,1|2,0,0]=4 4053 B12R1.890 C[N+](C)(C)CCSc1ccco1 62a_100009814098_100000085578 [0,1,0,0,0,1|2,0,0]=4 4054 B12R1.890 C[Si](C)(C)CCSc1ccco1 62a_100009814098_200000733723 [0,1,0,0,0,1|1,1,0]=4 4055 B12R1.890 C[Si](C)(C)CCSc1ccco1 62a_200000733723_100009814098 [0,1,0,0,0,1|1,1,0]=4 4056 B12R1.890 C[Si](C)(C)CNCc1ccco1 2230a_100000185738_100000037933 [0,1,0,0,0,1|1,1,0]=4 4057 B12R1.890 O=S(=O)([O-])CCSc1ccco1 62a_100000762736_100009814098 [0,1,0,0,0,1|2,0,0]=4 4058 B12R1.890 O=S(=O)([O-])CCSc1ccco1 62a_100009814098_100000762736 [0,1,0,0,0,1|2,0,0]=4 4059 B12R1.890 O=S(=O)([O-])CNCc1ccco1 34a_100000185738_100009817235 [0,1,0,0,0,1|2,0,0]=4 4060 B12R1.890 O=S(=O)([O-])COCc1ccco1 34a_100000210059_100009817235 [0,1,0,0,0,1|2,0,0]=4 4061 B12R1.15 C#CC(=O)CC(=O)c1ccco1 1458a_100000211873_100000211439 [0,2,0,0,0,0|0,0,2]=4 4062 B12R1.15 C=CC(=O)CC(=O)c1ccco1 1458a_100000185746_100000211439 [0,2,0,0,0,0|0,0,2]=4 4063 B12R1.15 C=CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000185746 [0,2,0,0,0,0|1,0,1]=4 4064 B12R1.15 C=CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_200121576911 [0,2,0,0,0,0|1,0,1]=4 4065 B12R1.15 CC(CC(=O)CF)n1cccn1 1458a_100011311474_100015361967 [0,2,0,0,0,0|2,0,0]=4 4066 B12R1.15 CC(NC(=O)CO)c1cccs1 240690a_100000703493_100000210174 [0,2,0,0,0,0|1,1,0]=4 4067 B12R1.15 CC(NC(=O)CO)c1cccs1 527a_100000703493_100000210174 [0,2,0,0,0,0|1,1,0]=4 4068 B12R1.15 CCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210414_200011262396 [0,2,0,0,0,0|1,0,1]=4 4069 B12R1.15 CCC(=O)CC(=O)c1ccco1 1458a_100000210414_100000211439 [0,2,0,0,0,0|0,0,1]=3 4070 B12R1.15 CCC(=O)CC(=O)c1cccs1 1458a_100000210414_100000211436 [0,2,0,0,0,0|0,1,1]=4 4071 B12R1.15 CCC(=O)CC(C)n1cccn1 1458a_100011311474_100000210202 [0,2,0,0,0,0|2,0,0]=4 4072 B12R1.15 CCC(=O)NC(C)c1cccs1 11a_100000703493_100000210414 [0,2,0,0,0,0|1,1,0]=4 4073 B12R1.15 CCC(=O)NC(C)c1cccs1 1626a_100000703493_100000210414 [0,2,0,0,0,0|1,1,0]=4 4074 B12R1.15 CCC(=O)NC(C)c1cccs1 240690a_100000703493_100000210414 [0,2,0,0,0,0|1,1,0]=4 4075 B12R1.15 CCC(=O)NC(C)c1cccs1 527a_100000703493_100000210414 [0,2,0,0,0,0|1,1,0]=4 4076 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000210414 [0,2,0,0,0,0|1,0,0]=3 4077 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000210414 [0,2,0,0,0,0|1,0,0]=3 4078 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000210414 [0,2,0,0,0,0|1,0,0]=3 4079 B12R1.15 CCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000210414 [0,2,0,0,0,0|1,0,0]=3 4080 B12R1.15 CNC(=O)CC(C)n1cccn1 11a_106832991635_100011311474 [0,2,0,0,0,0|2,0,0]=4 4081 B12R1.15 CNC(=O)CC(C)n1cccn1 1626a_100102657272_100011311474 [0,2,0,0,0,0|2,0,0]=4 4082 B12R1.15 CNC(=O)CC(C)n1cccn1 240690a_100102657272_100011311474 [0,2,0,0,0,0|2,0,0]=4 4083 B12R1.15 CNC(=O)CC(C)n1cccn1 527a_100102657272_100011311474 [0,2,0,0,0,0|2,0,0]=4 4084 B12R1.15 CNC(=O)NC(C)c1cccs1 2708a_100000703493_106832991635 [0,2,0,0,0,0|1,1,0]=4 4085 B12R1.15 CNC(=O)NC(C)c1cccs1 2708a_100102657272_100000703493 [0,2,0,0,0,0|1,1,0]=4 4086 B12R1.15 CNC(=O)NC(C)c1cccs1 273464a_100000703493_100102657272 [0,2,0,0,0,0|1,1,0]=4 4087 B12R1.15 CNC(=O)NC(C)c1cccs1 273464a_100102657272_100000703493 [0,2,0,0,0,0|1,1,0]=4 4088 B12R1.15 CNC(=O)NC(C)c1cccs1 512a_100000703493_100102657272 [0,2,0,0,0,0|1,1,0]=4 4089 B12R1.15 CNC(=O)NC(C)c1cccs1 512a_106832991638_100000703493 [0,2,0,0,0,0|1,1,0]=4 4090 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 2708a_100102657272_100160469435 [0,2,0,0,0,0|1,0,0]=3 4091 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 2708a_100160469435_106832991635 [0,2,0,0,0,0|1,0,0]=3 4092 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 273464a_100102657272_100160469435 [0,2,0,0,0,0|1,0,0]=3 4093 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 273464a_100160469435_100102657272 [0,2,0,0,0,0|1,0,0]=3 4094 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 512a_100160469435_100102657272 [0,2,0,0,0,0|1,0,0]=3 4095 B12R1.15 CNC(=O)N[C@H](C)c1ccco1 512a_106832991638_100160469435 [0,2,0,0,0,0|1,0,0]=3 4096 B12R1.15 C[C@@H](NC(=O)CO)c1ccco1 240690a_100160469435_100000210174 [0,2,0,0,0,0|1,0,0]=3 4097 B12R1.15 C[C@@H](NC(=O)CO)c1ccco1 527a_100160469435_100000210174 [0,2,0,0,0,0|1,0,0]=3 4098 B12R1.15 O=C(CO)CC(=O)c1ccc[nH]1 1458a_100000210174_200011262396 [0,2,0,0,0,0|1,0,1]=4 4099 B12R1.15 O=C(CO)CC(=O)c1ccco1 1458a_100000210174_100000211439 [0,2,0,0,0,0|0,0,1]=3 4100 B12R1.15 O=C(CO)CC(=O)c1cccs1 1458a_100000210174_100000211436 [0,2,0,0,0,0|0,1,1]=4 4101 B12R1.26 C=CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000185746 [0,2,0,0,0,0|1,0,1]=4 4102 B12R1.26 C=CC(=O)NCc1ccc(o1)Br 240690a_100000708654_200121576911 [0,2,0,0,0,0|1,0,1]=4 4103 B12R1.26 C=CC(=O)NCc1ccc(o1)C 1626a_100011194323_100000185746 [0,2,0,0,0,0|1,0,1]=4 4104 B12R1.26 C=CC(=O)NCc1ccc(o1)C 240690a_100011194323_200121576911 [0,2,0,0,0,0|1,0,1]=4 4105 B12R1.26 CCC(=O)C=Cc1cc(co1)Br 6a_100000747035_100000211110 [0,2,0,0,0,0|0,0,2]=4 4106 B12R1.26 CCC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_100000210202 [0,2,0,0,0,0|0,0,2]=4 4107 B12R1.26 CCC(=O)C=Cc1ccc(o1)C 1458a_100000183563_100000210202 [0,2,0,0,0,0|0,0,2]=4 4108 B12R1.26 CCC(=O)C=Cc1ccc(o1)I 1458a_100000679848_100000210202 [0,2,0,0,0,0|0,0,2]=4 4109 B12R1.26 CCC(=O)C=Cc1ccc(o1)I 6a_100000186757_100000211110 [0,2,0,0,0,0|0,0,2]=4 4110 B12R1.26 CCC(=O)CCc1cc(no1)Cl 1458a_100000022696_100000210202 [0,2,0,0,0,0|1,0,0]=3 4111 B12R1.26 CCC(=O)CCc1csc(n1)C 1458a_100000210414_100000695623 [0,2,0,0,0,0|2,0,0]=4 4112 B12R1.26 CCC(=O)CCn1cc(cn1)C 1458a_100000743555_100000210202 [0,2,0,0,0,0|2,0,0]=4 4113 B12R1.26 CCC(=O)CCn1cc(cn1)Cl 1458a_100000210414_100011353933 [0,2,0,0,0,0|2,0,0]=4 4114 B12R1.26 CCC(=O)CCn1cc(cn1)Cl 1458a_100000743157_100000210202 [0,2,0,0,0,0|2,0,0]=4 4115 B12R1.26 CCC(=O)CCn1cc(cn1)I 1458a_100012072392_100000210202 [0,2,0,0,0,0|2,0,0]=4 4116 B12R1.26 CCC(=O)CCn1ccc(n1)C 1458a_100000210414_200011934056 [0,2,0,0,0,0|2,0,0]=4 4117 B12R1.26 CCC(=O)CCn1ccc(n1)C 1458a_100000759146_100000210202 [0,2,0,0,0,0|2,0,0]=4 4118 B12R1.26 CCC(=O)CSc1cc(cs1)C 62a_100000747405_100009876951 [0,2,0,0,0,0|1,1,0]=4 4119 B12R1.26 CCC(=O)CSc1cc(cs1)C 62a_100009876951_100000747405 [0,2,0,0,0,0|1,1,0]=4 4120 B12R1.26 CCC(=O)CSc1ccc(s1)Br 62a_100000747405_100010197418 [0,2,0,0,0,0|1,1,0]=4 4121 B12R1.26 CCC(=O)CSc1ccc(s1)Br 62a_100010197418_100000747405 [0,2,0,0,0,0|1,1,0]=4 4122 B12R1.26 CCC(=O)CSc1ccc(s1)C 62a_100000031368_100000747405 [0,2,0,0,0,0|1,1,0]=4 4123 B12R1.26 CCC(=O)CSc1ccc(s1)C 62a_100000747405_100000031368 [0,2,0,0,0,0|1,1,0]=4 4124 B12R1.26 CCC(=O)NCc1cc(cs1)Br 11a_100000741024_100000210414 [0,2,0,0,0,0|1,1,0]=4 4125 B12R1.26 CCC(=O)NCc1cc(cs1)Br 1626a_100000741024_100000210414 [0,2,0,0,0,0|1,1,0]=4 4126 B12R1.26 CCC(=O)NCc1cc(cs1)Br 240690a_100000741024_100000210414 [0,2,0,0,0,0|1,1,0]=4 4127 B12R1.26 CCC(=O)NCc1cc(cs1)Br 527a_100000741024_100000210414 [0,2,0,0,0,0|1,1,0]=4 4128 B12R1.26 CCC(=O)NCc1cc(cs1)C 11a_100015204214_100000210414 [0,2,0,0,0,0|1,1,0]=4 4129 B12R1.26 CCC(=O)NCc1cc(cs1)C 1626a_100015204214_100000210414 [0,2,0,0,0,0|1,1,0]=4 4130 B12R1.26 CCC(=O)NCc1cc(cs1)C 240690a_100015204214_100000210414 [0,2,0,0,0,0|1,1,0]=4 4131 B12R1.26 CCC(=O)NCc1cc(cs1)C 527a_100015204214_100000210414 [0,2,0,0,0,0|1,1,0]=4 4132 B12R1.26 CCC(=O)NCc1cc(no1)Br 11a_100015193020_100000210414 [0,2,0,0,0,0|2,0,0]=4 4133 B12R1.26 CCC(=O)NCc1cc(no1)Br 240690a_100015193020_100000210414 [0,2,0,0,0,0|2,0,0]=4 4134 B12R1.26 CCC(=O)NCc1cc(no1)Br 527a_100015193020_100000210414 [0,2,0,0,0,0|2,0,0]=4 4135 B12R1.26 CCC(=O)NCc1cc(no1)C 11a_100000745748_100000210414 [0,2,0,0,0,0|2,0,0]=4 4136 B12R1.26 CCC(=O)NCc1cc(no1)C 240690a_100000745748_100000210414 [0,2,0,0,0,0|2,0,0]=4 4137 B12R1.26 CCC(=O)NCc1cc(no1)C 527a_100000745748_100000210414 [0,2,0,0,0,0|2,0,0]=4 4138 B12R1.26 CCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000210414 [0,2,0,0,0,0|1,0,0]=3 4139 B12R1.26 CCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000210414 [0,2,0,0,0,0|1,0,0]=3 4140 B12R1.26 CCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000210414 [0,2,0,0,0,0|1,0,0]=3 4141 B12R1.26 CCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000210414 [0,2,0,0,0,0|1,0,0]=3 4142 B12R1.26 CCC(=O)NCc1ccc(o1)C 11a_100011194323_100000210414 [0,2,0,0,0,0|1,0,0]=3 4143 B12R1.26 CCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000210414 [0,2,0,0,0,0|1,0,0]=3 4144 B12R1.26 CCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000210414 [0,2,0,0,0,0|1,0,0]=3 4145 B12R1.26 CCC(=O)NCc1ccc(o1)C 527a_100011194323_100000210414 [0,2,0,0,0,0|1,0,0]=3 4146 B12R1.26 CCC(=O)NCc1ccc(s1)Br 11a_100000737305_100000210414 [0,2,0,0,0,0|1,1,0]=4 4147 B12R1.26 CCC(=O)NCc1ccc(s1)Br 1626a_100000737305_100000210414 [0,2,0,0,0,0|1,1,0]=4 4148 B12R1.26 CCC(=O)NCc1ccc(s1)Br 240690a_100000737305_100000210414 [0,2,0,0,0,0|1,1,0]=4 4149 B12R1.26 CCC(=O)NCc1ccc(s1)Br 527a_100000737305_100000210414 [0,2,0,0,0,0|1,1,0]=4 4150 B12R1.26 CCC(=O)NCc1ccc(s1)C 11a_100000238518_100000210414 [0,2,0,0,0,0|1,1,0]=4 4151 B12R1.26 CCC(=O)NCc1ccc(s1)C 1626a_100000238518_100000210414 [0,2,0,0,0,0|1,1,0]=4 4152 B12R1.26 CCC(=O)NCc1ccc(s1)C 240690a_100000238518_100000210414 [0,2,0,0,0,0|1,1,0]=4 4153 B12R1.26 CCC(=O)NCc1ccc(s1)C 527a_100000238518_100000210414 [0,2,0,0,0,0|1,1,0]=4 4154 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 11a_100000737310_100000210414 [0,2,0,0,0,0|1,1,0]=4 4155 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100000210414 [0,2,0,0,0,0|1,1,0]=4 4156 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100000210414 [0,2,0,0,0,0|1,1,0]=4 4157 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 527a_100000737310_100000210414 [0,2,0,0,0,0|1,1,0]=4 4158 B12R1.26 CCC(=O)NCc1ncc(o1)C 11a_100138411809_100000210414 [0,2,0,0,0,0|2,0,0]=4 4159 B12R1.26 CCC(=O)NCc1ncc(o1)C 1626a_100138411809_100000210414 [0,2,0,0,0,0|2,0,0]=4 4160 B12R1.26 CCC(=O)NCc1ncc(o1)C 240690a_100138411809_100000210414 [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.26 CCC(=O)NCc1ncc(o1)C 527a_100138411809_100000210414 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.26 CNC(=O)C=Cc1ccc(o1)Br 11a_106832991635_100000182240 [0,2,0,0,0,0|0,0,2]=4 4163 B12R1.26 CNC(=O)C=Cc1ccc(o1)Br 240690a_100102657272_100000182240 [0,2,0,0,0,0|0,0,2]=4 4164 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 11a_106832991635_100000183563 [0,2,0,0,0,0|0,0,2]=4 4165 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 1626a_100102657272_100000183563 [0,2,0,0,0,0|0,0,2]=4 4166 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 240690a_100102657272_100000183563 [0,2,0,0,0,0|0,0,2]=4 4167 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 527a_100102657272_100000183563 [0,2,0,0,0,0|0,0,2]=4 4168 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 11a_106832991635_100000679848 [0,2,0,0,0,0|0,0,2]=4 4169 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 1626a_100102657272_100000679848 [0,2,0,0,0,0|0,0,2]=4 4170 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 240690a_100102657272_100000679848 [0,2,0,0,0,0|0,0,2]=4 4171 B12R1.26 CNC(=O)CCc1cc(no1)Cl 11a_106832991635_100000022696 [0,2,0,0,0,0|1,0,0]=3 4172 B12R1.26 CNC(=O)CCc1cc(no1)Cl 1626a_100102657272_100000022696 [0,2,0,0,0,0|1,0,0]=3 4173 B12R1.26 CNC(=O)CCc1cc(no1)Cl 240690a_100102657272_100000022696 [0,2,0,0,0,0|1,0,0]=3 4174 B12R1.26 CNC(=O)CCc1cc(no1)Cl 527a_100102657272_100000022696 [0,2,0,0,0,0|1,0,0]=3 4175 B12R1.26 CNC(=O)CCc1nc(no1)C 270196a_100000212224_100011309844 [0,2,0,0,0,0|2,0,0]=4 4176 B12R1.26 CNC(=O)CCn1cc(cn1)C 11a_106832991635_100000743555 [0,2,0,0,0,0|2,0,0]=4 4177 B12R1.26 CNC(=O)CCn1cc(cn1)C 1626a_100102657272_100000743555 [0,2,0,0,0,0|2,0,0]=4 4178 B12R1.26 CNC(=O)CCn1cc(cn1)C 240690a_100102657272_100000743555 [0,2,0,0,0,0|2,0,0]=4 4179 B12R1.26 CNC(=O)CCn1cc(cn1)C 527a_100102657272_100000743555 [0,2,0,0,0,0|2,0,0]=4 4180 B12R1.26 CNC(=O)CCn1cc(cn1)Cl 11a_106832991635_100000743157 [0,2,0,0,0,0|2,0,0]=4 4181 B12R1.26 CNC(=O)CCn1cc(cn1)Cl 1626a_100102657272_100000743157 [0,2,0,0,0,0|2,0,0]=4 4182 B12R1.26 CNC(=O)CCn1cc(cn1)Cl 240690a_100102657272_100000743157 [0,2,0,0,0,0|2,0,0]=4 4183 B12R1.26 CNC(=O)CCn1cc(cn1)Cl 527a_100102657272_100000743157 [0,2,0,0,0,0|2,0,0]=4 4184 B12R1.26 CNC(=O)CCn1cc(cn1)I 11a_106832991635_100012072392 [0,2,0,0,0,0|2,0,0]=4 4185 B12R1.26 CNC(=O)CCn1cc(cn1)I 1626a_100102657272_100012072392 [0,2,0,0,0,0|2,0,0]=4 4186 B12R1.26 CNC(=O)CCn1cc(cn1)I 240690a_100102657272_100012072392 [0,2,0,0,0,0|2,0,0]=4 4187 B12R1.26 CNC(=O)CCn1cc(cn1)I 527a_100102657272_100012072392 [0,2,0,0,0,0|2,0,0]=4 4188 B12R1.26 CNC(=O)CCn1ccc(n1)C 11a_106832991635_100000759146 [0,2,0,0,0,0|2,0,0]=4 4189 B12R1.26 CNC(=O)CCn1ccc(n1)C 1626a_100102657272_100000759146 [0,2,0,0,0,0|2,0,0]=4 4190 B12R1.26 CNC(=O)CCn1ccc(n1)C 240690a_100102657272_100000759146 [0,2,0,0,0,0|2,0,0]=4 4191 B12R1.26 CNC(=O)CCn1ccc(n1)C 527a_100102657272_100000759146 [0,2,0,0,0,0|2,0,0]=4 4192 B12R1.26 CNC(=O)CSc1cc(cs1)C 62a_100000183359_100009876951 [0,2,0,0,0,0|1,1,0]=4 4193 B12R1.26 CNC(=O)CSc1cc(cs1)C 62a_100009876951_100000183359 [0,2,0,0,0,0|1,1,0]=4 4194 B12R1.26 CNC(=O)CSc1ccc(s1)Br 62a_100000183359_100010197418 [0,2,0,0,0,0|1,1,0]=4 4195 B12R1.26 CNC(=O)CSc1ccc(s1)Br 62a_100010197418_100000183359 [0,2,0,0,0,0|1,1,0]=4 4196 B12R1.26 CNC(=O)CSc1ccc(s1)C 62a_100000031368_100000183359 [0,2,0,0,0,0|1,1,0]=4 4197 B12R1.26 CNC(=O)CSc1ccc(s1)C 62a_100000183359_100000031368 [0,2,0,0,0,0|1,1,0]=4 4198 B12R1.26 CNC(=O)NCc1cc(cs1)Br 2708a_100000741024_106832991635 [0,2,0,0,0,0|1,1,0]=4 4199 B12R1.26 CNC(=O)NCc1cc(cs1)Br 2708a_100102657272_100000741024 [0,2,0,0,0,0|1,1,0]=4 4200 B12R1.26 CNC(=O)NCc1cc(cs1)Br 273464a_100000741024_100102657272 [0,2,0,0,0,0|1,1,0]=4 4201 B12R1.26 CNC(=O)NCc1cc(cs1)Br 273464a_100102657272_100000741024 [0,2,0,0,0,0|1,1,0]=4 4202 B12R1.26 CNC(=O)NCc1cc(cs1)Br 512a_100000741024_100102657272 [0,2,0,0,0,0|1,1,0]=4 4203 B12R1.26 CNC(=O)NCc1cc(cs1)Br 512a_106832991638_100000741024 [0,2,0,0,0,0|1,1,0]=4 4204 B12R1.26 CNC(=O)NCc1cc(cs1)C 2708a_100015204214_106832991635 [0,2,0,0,0,0|1,1,0]=4 4205 B12R1.26 CNC(=O)NCc1cc(cs1)C 2708a_100102657272_100015204214 [0,2,0,0,0,0|1,1,0]=4 4206 B12R1.26 CNC(=O)NCc1cc(cs1)C 273464a_100015204214_100102657272 [0,2,0,0,0,0|1,1,0]=4 4207 B12R1.26 CNC(=O)NCc1cc(cs1)C 273464a_100102657272_100015204214 [0,2,0,0,0,0|1,1,0]=4 4208 B12R1.26 CNC(=O)NCc1cc(cs1)C 512a_100015204214_100102657272 [0,2,0,0,0,0|1,1,0]=4 4209 B12R1.26 CNC(=O)NCc1cc(cs1)C 512a_106832991638_100015204214 [0,2,0,0,0,0|1,1,0]=4 4210 B12R1.26 CNC(=O)NCc1cc(no1)Br 2708a_100015193020_106832991635 [0,2,0,0,0,0|2,0,0]=4 4211 B12R1.26 CNC(=O)NCc1cc(no1)Br 2708a_100102657272_100015193020 [0,2,0,0,0,0|2,0,0]=4 4212 B12R1.26 CNC(=O)NCc1cc(no1)Br 273464a_100015193020_100102657272 [0,2,0,0,0,0|2,0,0]=4 4213 B12R1.26 CNC(=O)NCc1cc(no1)Br 273464a_100102657272_100015193020 [0,2,0,0,0,0|2,0,0]=4 4214 B12R1.26 CNC(=O)NCc1cc(no1)Br 512a_100015193020_100102657272 [0,2,0,0,0,0|2,0,0]=4 4215 B12R1.26 CNC(=O)NCc1cc(no1)Br 512a_106832991638_100015193020 [0,2,0,0,0,0|2,0,0]=4 4216 B12R1.26 CNC(=O)NCc1cc(no1)C 2708a_100000745748_106832991635 [0,2,0,0,0,0|2,0,0]=4 4217 B12R1.26 CNC(=O)NCc1cc(no1)C 2708a_100102657272_100000745748 [0,2,0,0,0,0|2,0,0]=4 4218 B12R1.26 CNC(=O)NCc1cc(no1)C 273464a_100000745748_100102657272 [0,2,0,0,0,0|2,0,0]=4 4219 B12R1.26 CNC(=O)NCc1cc(no1)C 273464a_100102657272_100000745748 [0,2,0,0,0,0|2,0,0]=4 4220 B12R1.26 CNC(=O)NCc1cc(no1)C 512a_100000745748_100102657272 [0,2,0,0,0,0|2,0,0]=4 4221 B12R1.26 CNC(=O)NCc1cc(no1)C 512a_106832991638_100000745748 [0,2,0,0,0,0|2,0,0]=4 4222 B12R1.26 CNC(=O)NCc1ccc(o1)Br 2708a_100000708654_106832991635 [0,2,0,0,0,0|1,0,0]=3 4223 B12R1.26 CNC(=O)NCc1ccc(o1)Br 2708a_100102657272_100000708654 [0,2,0,0,0,0|1,0,0]=3 4224 B12R1.26 CNC(=O)NCc1ccc(o1)Br 273464a_100000708654_100102657272 [0,2,0,0,0,0|1,0,0]=3 4225 B12R1.26 CNC(=O)NCc1ccc(o1)Br 273464a_100102657272_100000708654 [0,2,0,0,0,0|1,0,0]=3 4226 B12R1.26 CNC(=O)NCc1ccc(o1)Br 512a_100000708654_100102657272 [0,2,0,0,0,0|1,0,0]=3 4227 B12R1.26 CNC(=O)NCc1ccc(o1)Br 512a_106832991638_100000708654 [0,2,0,0,0,0|1,0,0]=3 4228 B12R1.26 CNC(=O)NCc1ccc(o1)C 2708a_100011194323_106832991635 [0,2,0,0,0,0|1,0,0]=3 4229 B12R1.26 CNC(=O)NCc1ccc(o1)C 2708a_100102657272_100011194323 [0,2,0,0,0,0|1,0,0]=3 4230 B12R1.26 CNC(=O)NCc1ccc(o1)C 273464a_100011194323_100102657272 [0,2,0,0,0,0|1,0,0]=3 4231 B12R1.26 CNC(=O)NCc1ccc(o1)C 512a_100011194323_100102657272 [0,2,0,0,0,0|1,0,0]=3 4232 B12R1.26 CNC(=O)NCc1ccc(o1)C 512a_106832991638_100011194323 [0,2,0,0,0,0|1,0,0]=3 4233 B12R1.26 CNC(=O)NCc1ccc(s1)Br 2708a_100000737305_106832991635 [0,2,0,0,0,0|1,1,0]=4 4234 B12R1.26 CNC(=O)NCc1ccc(s1)Br 2708a_100102657272_100000737305 [0,2,0,0,0,0|1,1,0]=4 4235 B12R1.26 CNC(=O)NCc1ccc(s1)Br 273464a_100000737305_100102657272 [0,2,0,0,0,0|1,1,0]=4 4236 B12R1.26 CNC(=O)NCc1ccc(s1)Br 273464a_100102657272_100000737305 [0,2,0,0,0,0|1,1,0]=4 4237 B12R1.26 CNC(=O)NCc1ccc(s1)Br 512a_100000737305_100102657272 [0,2,0,0,0,0|1,1,0]=4 4238 B12R1.26 CNC(=O)NCc1ccc(s1)Br 512a_106832991638_100000737305 [0,2,0,0,0,0|1,1,0]=4 4239 B12R1.26 CNC(=O)NCc1ccc(s1)C 2708a_100000238518_106832991635 [0,2,0,0,0,0|1,1,0]=4 4240 B12R1.26 CNC(=O)NCc1ccc(s1)C 2708a_100102657272_100000238518 [0,2,0,0,0,0|1,1,0]=4 4241 B12R1.26 CNC(=O)NCc1ccc(s1)C 273464a_100000238518_100102657272 [0,2,0,0,0,0|1,1,0]=4 4242 B12R1.26 CNC(=O)NCc1ccc(s1)C 273464a_100102657272_100000238518 [0,2,0,0,0,0|1,1,0]=4 4243 B12R1.26 CNC(=O)NCc1ccc(s1)C 512a_100000238518_100102657272 [0,2,0,0,0,0|1,1,0]=4 4244 B12R1.26 CNC(=O)NCc1ccc(s1)C 512a_106832991638_100000238518 [0,2,0,0,0,0|1,1,0]=4 4245 B12R1.26 CNC(=O)NCc1ccc(s1)Cl 2708a_100000737310_106832991635 [0,2,0,0,0,0|1,1,0]=4 4246 B12R1.26 CNC(=O)NCc1ccc(s1)Cl 2708a_100102657272_100000737310 [0,2,0,0,0,0|1,1,0]=4 4247 B12R1.26 CNC(=O)NCc1ccc(s1)Cl 273464a_100000737310_100102657272 [0,2,0,0,0,0|1,1,0]=4 4248 B12R1.26 CNC(=O)NCc1ccc(s1)Cl 273464a_100102657272_100000737310 [0,2,0,0,0,0|1,1,0]=4 4249 B12R1.26 CNC(=O)NCc1ccc(s1)Cl 512a_100000737310_100102657272 [0,2,0,0,0,0|1,1,0]=4 4250 B12R1.26 CNC(=O)NCc1ccc(s1)Cl 512a_106832991638_100000737310 [0,2,0,0,0,0|1,1,0]=4 4251 B12R1.26 CNC(=O)NCc1ncc(o1)C 2708a_100102657272_100138411809 [0,2,0,0,0,0|2,0,0]=4 4252 B12R1.26 CNC(=O)NCc1ncc(o1)C 2708a_100138411809_106832991635 [0,2,0,0,0,0|2,0,0]=4 4253 B12R1.26 CNC(=O)NCc1ncc(o1)C 273464a_100102657272_100138411809 [0,2,0,0,0,0|2,0,0]=4 4254 B12R1.26 CNC(=O)NCc1ncc(o1)C 512a_100138411809_100102657272 [0,2,0,0,0,0|2,0,0]=4 4255 B12R1.26 CNC(=O)NCc1ncc(o1)C 512a_106832991638_100138411809 [0,2,0,0,0,0|2,0,0]=4 4256 B12R1.26 COC(=O)/C=C/c1ccc(o1)O 271570a_203496583355_100000150861 [0,2,0,0,0,0|0,0,2]=4 4257 B12R1.26 COC(=O)CCc1nc(no1)C 270196a_100000212224_100000187943 [0,2,0,0,0,0|2,0,0]=4 4258 B12R1.26 COC(=O)CCn1cc(cn1)O 271570a_203496583355_200012072400 [0,2,0,0,0,0|2,0,0]=4 4259 B12R1.26 COC(=O)CSc1cc(cs1)C 62a_100000747449_100009876951 [0,2,0,0,0,0|1,1,0]=4 4260 B12R1.26 COC(=O)CSc1cc(cs1)C 62a_100009876951_100000747449 [0,2,0,0,0,0|1,1,0]=4 4261 B12R1.26 COC(=O)CSc1ccc(s1)Br 62a_100000747449_100010197418 [0,2,0,0,0,0|1,1,0]=4 4262 B12R1.26 COC(=O)CSc1ccc(s1)Br 62a_100010197418_100000747449 [0,2,0,0,0,0|1,1,0]=4 4263 B12R1.26 COC(=O)CSc1ccc(s1)C 62a_100000031368_100000747449 [0,2,0,0,0,0|1,1,0]=4 4264 B12R1.26 COC(=O)CSc1ccc(s1)C 62a_100000747449_100000031368 [0,2,0,0,0,0|1,1,0]=4 4265 B12R1.26 Cc1cc(on1)CNC(=O)CO 240690a_100000745748_100000210174 [0,2,0,0,0,0|2,0,0]=4 4266 B12R1.26 Cc1cc(on1)CNC(=O)CO 527a_100000745748_100000210174 [0,2,0,0,0,0|2,0,0]=4 4267 B12R1.26 Cc1ccc(o1)C=CC(=O)CF 1458a_100000183563_100015361967 [0,2,0,0,0,0|0,0,2]=4 4268 B12R1.26 Cc1ccc(o1)CNC(=O)CO 240690a_100011194323_100000210174 [0,2,0,0,0,0|1,0,0]=3 4269 B12R1.26 Cc1ccc(o1)CNC(=O)CO 527a_100011194323_100000210174 [0,2,0,0,0,0|1,0,0]=3 4270 B12R1.26 Cc1ccc(s1)CNC(=O)CO 240690a_100000238518_100000210174 [0,2,0,0,0,0|1,1,0]=4 4271 B12R1.26 Cc1ccc(s1)CNC(=O)CO 527a_100000238518_100000210174 [0,2,0,0,0,0|1,1,0]=4 4272 B12R1.26 Cc1ccn(n1)CCC(=O)CF 1458a_100000759146_100015361967 [0,2,0,0,0,0|2,0,0]=4 4273 B12R1.26 Cc1ccn(n1)CCC(=O)CO 1458a_100000210174_200011934056 [0,2,0,0,0,0|2,0,0]=4 4274 B12R1.26 Cc1cnc(o1)CNC(=O)CO 240690a_100138411809_100000210174 [0,2,0,0,0,0|2,0,0]=4 4275 B12R1.26 Cc1cnc(o1)CNC(=O)CO 527a_100138411809_100000210174 [0,2,0,0,0,0|2,0,0]=4 4276 B12R1.26 Cc1cnn(c1)CCC(=O)CF 1458a_100000743555_100015361967 [0,2,0,0,0,0|2,0,0]=4 4277 B12R1.26 Cc1csc(c1)CNC(=O)CO 240690a_100015204214_100000210174 [0,2,0,0,0,0|1,1,0]=4 4278 B12R1.26 Cc1csc(c1)CNC(=O)CO 527a_100015204214_100000210174 [0,2,0,0,0,0|1,1,0]=4 4279 B12R1.26 Cc1nc(cs1)CCC(=O)CO 1458a_100000210174_100000695623 [0,2,0,0,0,0|2,0,0]=4 4280 B12R1.26 O=C(C=Cc1cc(co1)Br)CBr 6a_100000747035_100009888967 [0,2,0,0,0,0|0,0,2]=4 4281 B12R1.26 O=C(C=Cc1cc(co1)Br)CCl 6a_100000747035_100000086384 [0,2,0,0,0,0|0,0,2]=4 4282 B12R1.26 O=C(C=Cc1cc(co1)Br)CF 6a_100000747035_100000764096 [0,2,0,0,0,0|0,0,2]=4 4283 B12R1.26 O=C(C=Cc1ccc(o1)Br)CF 1458a_100000182240_100015361967 [0,2,0,0,0,0|0,0,2]=4 4284 B12R1.26 O=C(C=Cc1ccc(o1)I)CBr 6a_100000186757_100009888967 [0,2,0,0,0,0|0,0,2]=4 4285 B12R1.26 O=C(C=Cc1ccc(o1)I)CCl 6a_100000186757_100000086384 [0,2,0,0,0,0|0,0,2]=4 4286 B12R1.26 O=C(C=Cc1ccc(o1)I)CF 1458a_100000679848_100015361967 [0,2,0,0,0,0|0,0,2]=4 4287 B12R1.26 O=C(C=Cc1ccc(o1)I)CF 6a_100000186757_100000764096 [0,2,0,0,0,0|0,0,2]=4 4288 B12R1.26 O=C(CF)CCc1cc(no1)Cl 1458a_100000022696_100015361967 [0,2,0,0,0,0|1,0,0]=3 4289 B12R1.26 O=C(CF)CCn1cc(cn1)Cl 1458a_100000743157_100015361967 [0,2,0,0,0,0|2,0,0]=4 4290 B12R1.26 O=C(CF)CCn1cc(cn1)I 1458a_100012072392_100015361967 [0,2,0,0,0,0|2,0,0]=4 4291 B12R1.26 O=C(CO)CCn1cc(cn1)Cl 1458a_100000210174_100011353933 [0,2,0,0,0,0|2,0,0]=4 4292 B12R1.26 O=C(CO)NCc1cc(cs1)Br 240690a_100000741024_100000210174 [0,2,0,0,0,0|1,1,0]=4 4293 B12R1.26 O=C(CO)NCc1cc(cs1)Br 527a_100000741024_100000210174 [0,2,0,0,0,0|1,1,0]=4 4294 B12R1.26 O=C(CO)NCc1cc(no1)Br 240690a_100015193020_100000210174 [0,2,0,0,0,0|2,0,0]=4 4295 B12R1.26 O=C(CO)NCc1cc(no1)Br 527a_100015193020_100000210174 [0,2,0,0,0,0|2,0,0]=4 4296 B12R1.26 O=C(CO)NCc1ccc(o1)Br 240690a_100000708654_100000210174 [0,2,0,0,0,0|1,0,0]=3 4297 B12R1.26 O=C(CO)NCc1ccc(o1)Br 527a_100000708654_100000210174 [0,2,0,0,0,0|1,0,0]=3 4298 B12R1.26 O=C(CO)NCc1ccc(s1)Br 240690a_100000737305_100000210174 [0,2,0,0,0,0|1,1,0]=4 4299 B12R1.26 O=C(CO)NCc1ccc(s1)Br 527a_100000737305_100000210174 [0,2,0,0,0,0|1,1,0]=4 4300 B12R1.26 O=C(CO)NCc1ccc(s1)Cl 240690a_100000737310_100000210174 [0,2,0,0,0,0|1,1,0]=4 4301 B12R1.26 O=C(CO)NCc1ccc(s1)Cl 527a_100000737310_100000210174 [0,2,0,0,0,0|1,1,0]=4 4302 B12R1.51 C#CCC(=O)CCc1c[nH]cn1 1458a_100011220946_100020628418 [0,2,0,0,0,0|2,0,0]=4 4303 B12R1.51 C#CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000184674 [0,2,0,0,0,0|2,0,0]=4 4304 B12R1.51 C#CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000184674 [0,2,0,0,0,0|1,0,0]=3 4305 B12R1.51 C#CCC(=O)CCc1ccco1 1458a_100000185103_100000184674 [0,2,0,0,0,0|0,0,0]=2 4306 B12R1.51 C#CCC(=O)CCc1cccs1 1458a_100000185280_100000184674 [0,2,0,0,0,0|0,1,0]=3 4307 B12R1.51 C#CCC(=O)CCc1cccs1 1458a_100011220946_100000748579 [0,2,0,0,0,0|0,1,0]=3 4308 B12R1.51 C#CCC(=O)CCc1ccsc1 1458a_100000195497_100000184674 [0,2,0,0,0,0|2,0,0]=4 4309 B12R1.51 C#CCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000184674 [0,2,0,0,0,0|2,0,0]=4 4310 B12R1.51 C#CCC(=O)CCc1cncs1 1458a_100012184922_100000184674 [0,2,0,0,0,0|1,1,0]=4 4311 B12R1.51 C#CCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000184674 [0,2,0,0,0,0|2,0,0]=4 4312 B12R1.51 C#CCC(=O)CCc1nccs1 1458a_100000742873_100000184674 [0,2,0,0,0,0|1,1,0]=4 4313 B12R1.51 C#CCC(=O)CCn1cccc1 1458a_100011196273_100000184674 [0,2,0,0,0,0|2,0,0]=4 4314 B12R1.51 C#CCC(=O)CCn1cccc1 1458a_100011220946_200000035178 [0,2,0,0,0,0|2,0,0]=4 4315 B12R1.51 C#CCC(=O)CCn1cccn1 1458a_100000242649_100000184674 [0,2,0,0,0,0|2,0,0]=4 4316 B12R1.51 C#CCC(=O)CCn1cccn1 1458a_100011220946_100000685285 [0,2,0,0,0,0|2,0,0]=4 4317 B12R1.51 C#CCC(=O)NCc1ccc[nH]1 527a_100000764082_100011220946 [0,2,0,0,0,0|2,0,0]=4 4318 B12R1.51 C#CCC(=O)NCc1ccco1 1626a_100000185738_100011220946 [0,2,0,0,0,0|1,0,0]=3 4319 B12R1.51 C#CCC(=O)NCc1ccco1 527a_100000185738_100011220946 [0,2,0,0,0,0|1,0,0]=3 4320 B12R1.51 C#CCC(=O)NCc1cccs1 1626a_100000211653_100011220946 [0,2,0,0,0,0|1,1,0]=4 4321 B12R1.51 C#CCC(=O)NCc1cccs1 527a_100000211653_100011220946 [0,2,0,0,0,0|1,1,0]=4 4322 B12R1.51 C#CCC(=O)NCc1cnco1 527a_100020634212_100011220946 [0,2,0,0,0,0|2,0,0]=4 4323 B12R1.51 C#CCC(=O)NCc1ncco1 1626a_100016994969_100011220946 [0,2,0,0,0,0|2,0,0]=4 4324 B12R1.51 C#CCC(=O)NCc1ncco1 527a_100016994969_100011220946 [0,2,0,0,0,0|2,0,0]=4 4325 B12R1.51 C=CCC(=O)CCc1c[nH]cn1 1458a_100000210193_100020628418 [0,2,0,0,0,0|2,0,0]=4 4326 B12R1.51 C=CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210623 [0,2,0,0,0,0|2,0,0]=4 4327 B12R1.51 C=CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210623 [0,2,0,0,0,0|1,0,0]=3 4328 B12R1.51 C=CCC(=O)CCc1ccco1 1458a_100000185103_100000210623 [0,2,0,0,0,0|0,0,0]=2 4329 B12R1.51 C=CCC(=O)CCc1cccs1 1458a_100000185280_100000210623 [0,2,0,0,0,0|0,1,0]=3 4330 B12R1.51 C=CCC(=O)CCc1cccs1 1458a_100000210193_100000748579 [0,2,0,0,0,0|0,1,0]=3 4331 B12R1.51 C=CCC(=O)CCc1ccsc1 1458a_100000195497_100000210623 [0,2,0,0,0,0|2,0,0]=4 4332 B12R1.51 C=CCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210623 [0,2,0,0,0,0|2,0,0]=4 4333 B12R1.51 C=CCC(=O)CCc1cncs1 1458a_100012184922_100000210623 [0,2,0,0,0,0|1,1,0]=4 4334 B12R1.51 C=CCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210623 [0,2,0,0,0,0|2,0,0]=4 4335 B12R1.51 C=CCC(=O)CCc1nccs1 1458a_100000742873_100000210623 [0,2,0,0,0,0|1,1,0]=4 4336 B12R1.51 C=CCC(=O)CCn1cccc1 1458a_100000210193_200000035178 [0,2,0,0,0,0|2,0,0]=4 4337 B12R1.51 C=CCC(=O)CCn1cccc1 1458a_100011196273_100000210623 [0,2,0,0,0,0|2,0,0]=4 4338 B12R1.51 C=CCC(=O)CCn1cccn1 1458a_100000210193_100000685285 [0,2,0,0,0,0|2,0,0]=4 4339 B12R1.51 C=CCC(=O)CCn1cccn1 1458a_100000242649_100000210623 [0,2,0,0,0,0|2,0,0]=4 4340 B12R1.51 C=CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210193 [0,2,0,0,0,0|2,0,0]=4 4341 B12R1.51 C=CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210193 [0,2,0,0,0,0|2,0,0]=4 4342 B12R1.51 C=CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210193 [0,2,0,0,0,0|2,0,0]=4 4343 B12R1.51 C=CCC(=O)NCc1ccco1 11a_100000185738_100000210193 [0,2,0,0,0,0|1,0,0]=3 4344 B12R1.51 C=CCC(=O)NCc1ccco1 1626a_100000185738_100000210193 [0,2,0,0,0,0|1,0,0]=3 4345 B12R1.51 C=CCC(=O)NCc1ccco1 240690a_100000185738_100000210193 [0,2,0,0,0,0|1,0,0]=3 4346 B12R1.51 C=CCC(=O)NCc1ccco1 527a_100000185738_100000210193 [0,2,0,0,0,0|1,0,0]=3 4347 B12R1.51 C=CCC(=O)NCc1cccs1 11a_100000211653_100000210193 [0,2,0,0,0,0|1,1,0]=4 4348 B12R1.51 C=CCC(=O)NCc1cccs1 1626a_100000211653_100000210193 [0,2,0,0,0,0|1,1,0]=4 4349 B12R1.51 C=CCC(=O)NCc1cccs1 240690a_100000211653_100000210193 [0,2,0,0,0,0|1,1,0]=4 4350 B12R1.51 C=CCC(=O)NCc1cccs1 527a_100000211653_100000210193 [0,2,0,0,0,0|1,1,0]=4 4351 B12R1.51 C=CCC(=O)NCc1cnco1 11a_100020634212_100000210193 [0,2,0,0,0,0|2,0,0]=4 4352 B12R1.51 C=CCC(=O)NCc1cnco1 240690a_100020634212_100000210193 [0,2,0,0,0,0|2,0,0]=4 4353 B12R1.51 C=CCC(=O)NCc1cnco1 527a_100020634212_100000210193 [0,2,0,0,0,0|2,0,0]=4 4354 B12R1.51 C=CCC(=O)NCc1ncco1 11a_100016994969_100000210193 [0,2,0,0,0,0|2,0,0]=4 4355 B12R1.51 C=CCC(=O)NCc1ncco1 1626a_100016994969_100000210193 [0,2,0,0,0,0|2,0,0]=4 4356 B12R1.51 C=CCC(=O)NCc1ncco1 240690a_100016994969_100000210193 [0,2,0,0,0,0|2,0,0]=4 4357 B12R1.51 C=CCC(=O)NCc1ncco1 527a_100016994969_100000210193 [0,2,0,0,0,0|2,0,0]=4 4358 B12R1.51 C=COC(=O)CSc1ccco1 62a_100000036128_100009814098 [0,2,0,0,0,0|1,0,1]=4 4359 B12R1.51 C=COC(=O)CSc1ccco1 62a_100009814098_100000036128 [0,2,0,0,0,0|1,0,1]=4 4360 B12R1.51 CC#CC(=O)CCc1c[nH]cn1 1458a_100000763181_100020628418 [0,2,0,0,0,0|2,0,0]=4 4361 B12R1.51 CC#CC(=O)CCc1cccs1 1458a_100000763181_100000748579 [0,2,0,0,0,0|0,1,0]=3 4362 B12R1.51 CC#CC(=O)CCn1cccc1 1458a_100000763181_200000035178 [0,2,0,0,0,0|2,0,0]=4 4363 B12R1.51 CC#CC(=O)CCn1cccn1 1458a_100000763181_100000685285 [0,2,0,0,0,0|2,0,0]=4 4364 B12R1.51 CC(CCc1ccco1)NCF 34a_100000199034_100015361967 [0,2,0,0,0,0|1,0,1]=4 4365 B12R1.51 CC=CC(=O)CCc1c[nH]cn1 1458a_100000210699_100020628418 [0,2,0,0,0,0|2,0,0]=4 4366 B12R1.51 CC=CC(=O)CCc1cccs1 1458a_100000210699_100000748579 [0,2,0,0,0,0|0,1,0]=3 4367 B12R1.51 CC=CC(=O)CCn1cccc1 1458a_100000210699_200000035178 [0,2,0,0,0,0|2,0,0]=4 4368 B12R1.51 CC=CC(=O)CCn1cccn1 1458a_100000210699_100000685285 [0,2,0,0,0,0|2,0,0]=4 4369 B12R1.51 CC=CC(=O)NCc1ccc[nH]1 11a_100000764082_100000210699 [0,2,0,0,0,0|2,0,0]=4 4370 B12R1.51 CC=CC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210699 [0,2,0,0,0,0|2,0,0]=4 4371 B12R1.51 CC=CC(=O)NCc1ccco1 11a_100000185738_100000210699 [0,2,0,0,0,0|1,0,0]=3 4372 B12R1.51 CC=CC(=O)NCc1ccco1 1626a_100000185738_100000210699 [0,2,0,0,0,0|1,0,0]=3 4373 B12R1.51 CC=CC(=O)NCc1ccco1 240690a_100000185738_100000210699 [0,2,0,0,0,0|1,0,0]=3 4374 B12R1.51 CC=CC(=O)NCc1cccs1 11a_100000211653_100000210699 [0,2,0,0,0,0|1,1,0]=4 4375 B12R1.51 CC=CC(=O)NCc1cccs1 1626a_100000211653_100000210699 [0,2,0,0,0,0|1,1,0]=4 4376 B12R1.51 CC=CC(=O)NCc1cccs1 240690a_100000211653_100000210699 [0,2,0,0,0,0|1,1,0]=4 4377 B12R1.51 CC=CC(=O)NCc1cnco1 11a_100020634212_100000210699 [0,2,0,0,0,0|2,0,0]=4 4378 B12R1.51 CC=CC(=O)NCc1cnco1 240690a_100020634212_100000210699 [0,2,0,0,0,0|2,0,0]=4 4379 B12R1.51 CC=CC(=O)NCc1ncco1 11a_100016994969_100000210699 [0,2,0,0,0,0|2,0,0]=4 4380 B12R1.51 CC=CC(=O)NCc1ncco1 1626a_100016994969_100000210699 [0,2,0,0,0,0|2,0,0]=4 4381 B12R1.51 CC=CC(=O)NCc1ncco1 240690a_100016994969_100000210699 [0,2,0,0,0,0|2,0,0]=4 4382 B12R1.51 CCCC(=O)CCc1c[nH]cn1 1458a_100000211992_100020628418 [0,2,0,0,0,0|2,0,0]=4 4383 B12R1.51 CCCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210303 [0,2,0,0,0,0|2,0,0]=4 4384 B12R1.51 CCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210303 [0,2,0,0,0,0|1,0,0]=3 4385 B12R1.51 CCCC(=O)CCc1ccco1 1458a_100000185103_100000210303 [0,2,0,0,0,0|0,0,0]=2 4386 B12R1.51 CCCC(=O)CCc1cccs1 1458a_100000185280_100000210303 [0,2,0,0,0,0|0,1,0]=3 4387 B12R1.51 CCCC(=O)CCc1cccs1 1458a_100000211992_100000748579 [0,2,0,0,0,0|0,1,0]=3 4388 B12R1.51 CCCC(=O)CCc1ccsc1 1458a_100000195497_100000210303 [0,2,0,0,0,0|2,0,0]=4 4389 B12R1.51 CCCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210303 [0,2,0,0,0,0|2,0,0]=4 4390 B12R1.51 CCCC(=O)CCc1cncs1 1458a_100012184922_100000210303 [0,2,0,0,0,0|1,1,0]=4 4391 B12R1.51 CCCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210303 [0,2,0,0,0,0|2,0,0]=4 4392 B12R1.51 CCCC(=O)CCc1nccs1 1458a_100000742873_100000210303 [0,2,0,0,0,0|1,1,0]=4 4393 B12R1.51 CCCC(=O)CCn1cccc1 1458a_100000211992_200000035178 [0,2,0,0,0,0|2,0,0]=4 4394 B12R1.51 CCCC(=O)CCn1cccc1 1458a_100011196273_100000210303 [0,2,0,0,0,0|2,0,0]=4 4395 B12R1.51 CCCC(=O)CCn1cccn1 1458a_100000211992_100000685285 [0,2,0,0,0,0|2,0,0]=4 4396 B12R1.51 CCCC(=O)CCn1cccn1 1458a_100000242649_100000210303 [0,2,0,0,0,0|2,0,0]=4 4397 B12R1.51 CCCC(=O)CSc1ccco1 62a_100000747444_100009814098 [0,2,0,0,0,0|1,0,0]=3 4398 B12R1.51 CCCC(=O)CSc1ccco1 62a_100009814098_100000747444 [0,2,0,0,0,0|1,0,0]=3 4399 B12R1.51 CCCC(=O)CSc1cccs1 62a_100000747444_100011215356 [0,2,0,0,0,0|1,1,0]=4 4400 B12R1.51 CCCC(=O)CSc1cccs1 62a_100011215356_100000747444 [0,2,0,0,0,0|1,1,0]=4 4401 B12R1.51 CCCC(=O)CSc1cnco1 62a_100000747444_100020591547 [0,2,0,0,0,0|2,0,0]=4 4402 B12R1.51 CCCC(=O)CSc1cnco1 62a_100020591547_100000747444 [0,2,0,0,0,0|2,0,0]=4 4403 B12R1.51 CCCC(=O)CSc1ncco1 62a_100000747444_100011787736 [0,2,0,0,0,0|2,0,0]=4 4404 B12R1.51 CCCC(=O)CSc1ncco1 62a_100011787736_100000747444 [0,2,0,0,0,0|2,0,0]=4 4405 B12R1.51 CCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000211992 [0,2,0,0,0,0|2,0,0]=4 4406 B12R1.51 CCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000211992 [0,2,0,0,0,0|2,0,0]=4 4407 B12R1.51 CCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000211992 [0,2,0,0,0,0|2,0,0]=4 4408 B12R1.51 CCCC(=O)NCc1ccco1 11a_100000185738_100000211992 [0,2,0,0,0,0|1,0,0]=3 4409 B12R1.51 CCCC(=O)NCc1ccco1 1626a_100000185738_100000211992 [0,2,0,0,0,0|1,0,0]=3 4410 B12R1.51 CCCC(=O)NCc1ccco1 240690a_100000185738_100000211992 [0,2,0,0,0,0|1,0,0]=3 4411 B12R1.51 CCCC(=O)NCc1ccco1 527a_100000185738_100000211992 [0,2,0,0,0,0|1,0,0]=3 4412 B12R1.51 CCCC(=O)NCc1cccs1 11a_100000211653_100000211992 [0,2,0,0,0,0|1,1,0]=4 4413 B12R1.51 CCCC(=O)NCc1cccs1 1626a_100000211653_100000211992 [0,2,0,0,0,0|1,1,0]=4 4414 B12R1.51 CCCC(=O)NCc1cccs1 240690a_100000211653_100000211992 [0,2,0,0,0,0|1,1,0]=4 4415 B12R1.51 CCCC(=O)NCc1cccs1 527a_100000211653_100000211992 [0,2,0,0,0,0|1,1,0]=4 4416 B12R1.51 CCCC(=O)NCc1cnco1 11a_100020634212_100000211992 [0,2,0,0,0,0|2,0,0]=4 4417 B12R1.51 CCCC(=O)NCc1cnco1 240690a_100020634212_100000211992 [0,2,0,0,0,0|2,0,0]=4 4418 B12R1.51 CCCC(=O)NCc1cnco1 527a_100020634212_100000211992 [0,2,0,0,0,0|2,0,0]=4 4419 B12R1.51 CCCC(=O)NCc1ncco1 11a_100016994969_100000211992 [0,2,0,0,0,0|2,0,0]=4 4420 B12R1.51 CCCC(=O)NCc1ncco1 1626a_100016994969_100000211992 [0,2,0,0,0,0|2,0,0]=4 4421 B12R1.51 CCCC(=O)NCc1ncco1 240690a_100016994969_100000211992 [0,2,0,0,0,0|2,0,0]=4 4422 B12R1.51 CCCC(=O)NCc1ncco1 527a_100016994969_100000211992 [0,2,0,0,0,0|2,0,0]=4 4423 B12R1.51 CCNC(=O)CCc1cc[nH]c1 11a_100015525214_200000093579 [0,2,0,0,0,0|2,0,0]=4 4424 B12R1.51 CCNC(=O)CCc1cc[nH]c1 240690a_100015525214_200000093579 [0,2,0,0,0,0|2,0,0]=4 4425 B12R1.51 CCNC(=O)CCc1cc[nH]c1 527a_100015525214_200000093579 [0,2,0,0,0,0|2,0,0]=4 4426 B12R1.51 CCNC(=O)CCc1ccc[nH]1 11a_100015525214_200011998680 [0,2,0,0,0,0|1,0,0]=3 4427 B12R1.51 CCNC(=O)CCc1ccc[nH]1 240690a_100015525214_200011998680 [0,2,0,0,0,0|1,0,0]=3 4428 B12R1.51 CCNC(=O)CCc1ccc[nH]1 527a_100015525214_200011998680 [0,2,0,0,0,0|1,0,0]=3 4429 B12R1.51 CCNC(=O)CCc1ccco1 11a_100015525214_100000185103 [0,2,0,0,0,0|0,0,0]=2 4430 B12R1.51 CCNC(=O)CCc1ccco1 527a_100015525214_100000185103 [0,2,0,0,0,0|0,0,0]=2 4431 B12R1.51 CCNC(=O)CCc1cccs1 11a_100015525214_100000185280 [0,2,0,0,0,0|0,1,0]=3 4432 B12R1.51 CCNC(=O)CCc1cccs1 240690a_100015525214_100000185280 [0,2,0,0,0,0|0,1,0]=3 4433 B12R1.51 CCNC(=O)CCc1cccs1 527a_100015525214_100000185280 [0,2,0,0,0,0|0,1,0]=3 4434 B12R1.51 CCNC(=O)CCc1ccsc1 11a_100015525214_100000195497 [0,2,0,0,0,0|2,0,0]=4 4435 B12R1.51 CCNC(=O)CCc1ccsc1 240690a_100015525214_100000195497 [0,2,0,0,0,0|2,0,0]=4 4436 B12R1.51 CCNC(=O)CCc1ccsc1 527a_100015525214_100000195497 [0,2,0,0,0,0|2,0,0]=4 4437 B12R1.51 CCNC(=O)CCc1cnc[nH]1 240690a_100015525214_100000044180 [0,2,0,0,0,0|2,0,0]=4 4438 B12R1.51 CCNC(=O)CCc1cnc[nH]1 527a_100015525214_100000044180 [0,2,0,0,0,0|2,0,0]=4 4439 B12R1.51 CCNC(=O)CCc1cncs1 11a_100015525214_100012184922 [0,2,0,0,0,0|1,1,0]=4 4440 B12R1.51 CCNC(=O)CCc1cncs1 240690a_100015525214_100012184922 [0,2,0,0,0,0|1,1,0]=4 4441 B12R1.51 CCNC(=O)CCc1cncs1 527a_100015525214_100012184922 [0,2,0,0,0,0|1,1,0]=4 4442 B12R1.51 CCNC(=O)CCc1ncc[nH]1 240690a_100015525214_100000722789 [0,2,0,0,0,0|2,0,0]=4 4443 B12R1.51 CCNC(=O)CCc1ncc[nH]1 527a_100015525214_100000722789 [0,2,0,0,0,0|2,0,0]=4 4444 B12R1.51 CCNC(=O)CCc1nccs1 11a_100015525214_100000742873 [0,2,0,0,0,0|1,1,0]=4 4445 B12R1.51 CCNC(=O)CCc1nccs1 240690a_100015525214_100000742873 [0,2,0,0,0,0|1,1,0]=4 4446 B12R1.51 CCNC(=O)CCc1nccs1 527a_100015525214_100000742873 [0,2,0,0,0,0|1,1,0]=4 4447 B12R1.51 CCNC(=O)CCn1cccc1 11a_100015525214_100011196273 [0,2,0,0,0,0|2,0,0]=4 4448 B12R1.51 CCNC(=O)CCn1cccc1 527a_100015525214_100011196273 [0,2,0,0,0,0|2,0,0]=4 4449 B12R1.51 CCNC(=O)CCn1cccn1 11a_100015525214_100000242649 [0,2,0,0,0,0|2,0,0]=4 4450 B12R1.51 CCNC(=O)CCn1cccn1 240690a_100015525214_100000242649 [0,2,0,0,0,0|2,0,0]=4 4451 B12R1.51 CCNC(=O)CCn1cccn1 527a_100015525214_100000242649 [0,2,0,0,0,0|2,0,0]=4 4452 B12R1.51 CCNC(=O)CSc1ccco1 62a_100000183381_100009814098 [0,2,0,0,0,0|1,0,0]=3 4453 B12R1.51 CCNC(=O)CSc1ccco1 62a_100009814098_100000183381 [0,2,0,0,0,0|1,0,0]=3 4454 B12R1.51 CCNC(=O)CSc1cccs1 62a_100000183381_100011215356 [0,2,0,0,0,0|1,1,0]=4 4455 B12R1.51 CCNC(=O)CSc1cccs1 62a_100011215356_100000183381 [0,2,0,0,0,0|1,1,0]=4 4456 B12R1.51 CCNC(=O)CSc1cnco1 62a_100000183381_100020591547 [0,2,0,0,0,0|2,0,0]=4 4457 B12R1.51 CCNC(=O)CSc1cnco1 62a_100020591547_100000183381 [0,2,0,0,0,0|2,0,0]=4 4458 B12R1.51 CCNC(=O)CSc1ncco1 62a_100000183381_100011787736 [0,2,0,0,0,0|2,0,0]=4 4459 B12R1.51 CCNC(=O)CSc1ncco1 62a_100011787736_100000183381 [0,2,0,0,0,0|2,0,0]=4 4460 B12R1.51 CCNC(=O)NCc1ccc[nH]1 273464a_100000764082_100015525214 [0,2,0,0,0,0|2,0,0]=4 4461 B12R1.51 CCNC(=O)NCc1ccc[nH]1 273464a_100015525214_100000764082 [0,2,0,0,0,0|2,0,0]=4 4462 B12R1.51 CCNC(=O)NCc1ccc[nH]1 512a_100015525214_100000764082 [0,2,0,0,0,0|2,0,0]=4 4463 B12R1.51 CCNC(=O)NCc1ccco1 2708a_100000185738_100015525214 [0,2,0,0,0,0|1,0,0]=3 4464 B12R1.51 CCNC(=O)NCc1ccco1 2708a_100015525214_100000185738 [0,2,0,0,0,0|1,0,0]=3 4465 B12R1.51 CCNC(=O)NCc1ccco1 273464a_100000185738_100015525214 [0,2,0,0,0,0|1,0,0]=3 4466 B12R1.51 CCNC(=O)NCc1ccco1 512a_100000185738_100015525214 [0,2,0,0,0,0|1,0,0]=3 4467 B12R1.51 CCNC(=O)NCc1ccco1 512a_100015525214_100000185738 [0,2,0,0,0,0|1,0,0]=3 4468 B12R1.51 CCNC(=O)NCc1cccs1 2708a_100000211653_100015525214 [0,2,0,0,0,0|1,1,0]=4 4469 B12R1.51 CCNC(=O)NCc1cccs1 2708a_100015525214_100000211653 [0,2,0,0,0,0|1,1,0]=4 4470 B12R1.51 CCNC(=O)NCc1cccs1 273464a_100000211653_100015525214 [0,2,0,0,0,0|1,1,0]=4 4471 B12R1.51 CCNC(=O)NCc1cccs1 273464a_100015525214_100000211653 [0,2,0,0,0,0|1,1,0]=4 4472 B12R1.51 CCNC(=O)NCc1cccs1 512a_100000211653_100015525214 [0,2,0,0,0,0|1,1,0]=4 4473 B12R1.51 CCNC(=O)NCc1cccs1 512a_100015525214_100000211653 [0,2,0,0,0,0|1,1,0]=4 4474 B12R1.51 CCNC(=O)NCc1cnco1 2708a_100015525214_100020634212 [0,2,0,0,0,0|2,0,0]=4 4475 B12R1.51 CCNC(=O)NCc1cnco1 2708a_100020634212_100015525214 [0,2,0,0,0,0|2,0,0]=4 4476 B12R1.51 CCNC(=O)NCc1cnco1 273464a_100015525214_100020634212 [0,2,0,0,0,0|2,0,0]=4 4477 B12R1.51 CCNC(=O)NCc1cnco1 273464a_100020634212_100015525214 [0,2,0,0,0,0|2,0,0]=4 4478 B12R1.51 CCNC(=O)NCc1cnco1 512a_100015525214_100020634212 [0,2,0,0,0,0|2,0,0]=4 4479 B12R1.51 CCNC(=O)NCc1cnco1 512a_100020634212_100015525214 [0,2,0,0,0,0|2,0,0]=4 4480 B12R1.51 CCNC(=O)NCc1ncco1 2708a_100015525214_100016994969 [0,2,0,0,0,0|2,0,0]=4 4481 B12R1.51 CCNC(=O)NCc1ncco1 2708a_100016994969_100015525214 [0,2,0,0,0,0|2,0,0]=4 4482 B12R1.51 CCNC(=O)NCc1ncco1 273464a_100015525214_100016994969 [0,2,0,0,0,0|2,0,0]=4 4483 B12R1.51 CCNC(=O)NCc1ncco1 273464a_100016994969_100015525214 [0,2,0,0,0,0|2,0,0]=4 4484 B12R1.51 CCNC(=O)NCc1ncco1 512a_100015525214_100016994969 [0,2,0,0,0,0|2,0,0]=4 4485 B12R1.51 CCNC(=O)NCc1ncco1 512a_100016994969_100015525214 [0,2,0,0,0,0|2,0,0]=4 4486 B12R1.51 CCNC(C)CCc1ccco1 2230a_100000199034_100000210202 [0,2,0,0,0,0|1,0,1]=4 4487 B12R1.51 CCNC(C)CCc1ccco1 34a_100000199034_100000210202 [0,2,0,0,0,0|1,0,1]=4 4488 B12R1.51 CCOC(=O)C=Cc1ccco1 271570a_100010199719_100009814098 [0,2,0,0,0,0|0,0,2]=4 4489 B12R1.51 CCOC(=O)CSc1ccco1 62a_100000188475_100009814098 [0,2,0,0,0,0|1,0,0]=3 4490 B12R1.51 CCOC(=O)CSc1ccco1 62a_100009814098_100000188475 [0,2,0,0,0,0|1,0,0]=3 4491 B12R1.51 CCOC(=O)CSc1cccs1 62a_100000188475_100011215356 [0,2,0,0,0,0|1,1,0]=4 4492 B12R1.51 CCOC(=O)CSc1cccs1 62a_100011215356_100000188475 [0,2,0,0,0,0|1,1,0]=4 4493 B12R1.51 CCOC(=O)CSc1cnco1 62a_100000188475_100020591547 [0,2,0,0,0,0|2,0,0]=4 4494 B12R1.51 CCOC(=O)CSc1cnco1 62a_100020591547_100000188475 [0,2,0,0,0,0|2,0,0]=4 4495 B12R1.51 CCOC(=O)CSc1ncco1 62a_100000188475_100011787736 [0,2,0,0,0,0|2,0,0]=4 4496 B12R1.51 CCOC(=O)CSc1ncco1 62a_100011787736_100000188475 [0,2,0,0,0,0|2,0,0]=4 4497 B12R1.51 CNCC(=O)NCc1ccco1 2230a_100000741066_200000210301 [0,2,0,0,0,0|1,0,0]=3 4498 B12R1.51 CNCC(=O)NCc1ccco1 2230a_106832991635_100000183421 [0,2,0,0,0,0|1,0,0]=3 4499 B12R1.51 CNCC(=O)NCc1ccco1 34a_100102657272_100000183421 [0,2,0,0,0,0|1,0,0]=3 4500 B12R1.51 CNCC(=O)NCc1ccco1 7a_106832991635_100000183421 [0,2,0,0,0,0|1,0,0]=3 4501 B12R1.51 CNCC(=O)NCc1cccs1 2230a_106832991635_100000182718 [0,2,0,0,0,0|1,1,0]=4 4502 B12R1.51 CNCC(=O)NCc1cccs1 34a_100102657272_100000182718 [0,2,0,0,0,0|1,1,0]=4 4503 B12R1.51 CNCC(=O)NCc1cccs1 7a_106832991635_100000182718 [0,2,0,0,0,0|1,1,0]=4 4504 B12R1.51 CNNC(=O)C=Cc1ccco1 22a_100016993582_100000720202 [0,2,0,0,0,0|0,0,2]=4 4505 B12R1.51 CNNC(=O)CCc1cc[nH]c1 22a_100016993582_200000093579 [0,2,0,0,0,0|2,0,0]=4 4506 B12R1.51 CNNC(=O)CCc1ccc[nH]1 22a_100016993582_200011998680 [0,2,0,0,0,0|1,0,0]=3 4507 B12R1.51 CNNC(=O)CCc1ccco1 22a_100016993582_100000185103 [0,2,0,0,0,0|0,0,0]=2 4508 B12R1.51 CNNC(=O)CCc1cccs1 22a_100016993582_100000185280 [0,2,0,0,0,0|0,1,0]=3 4509 B12R1.51 CNNC(=O)CCc1ccsc1 22a_100016993582_100000195497 [0,2,0,0,0,0|2,0,0]=4 4510 B12R1.51 CNNC(=O)CCc1cnc[nH]1 22a_100016993582_100000044180 [0,2,0,0,0,0|2,0,0]=4 4511 B12R1.51 CNNC(=O)CCc1cncs1 22a_100016993582_100012184922 [0,2,0,0,0,0|1,1,0]=4 4512 B12R1.51 CNNC(=O)CCc1ncc[nH]1 22a_100016993582_100000722789 [0,2,0,0,0,0|2,0,0]=4 4513 B12R1.51 CNNC(=O)CCc1nccs1 22a_100016993582_100000742873 [0,2,0,0,0,0|1,1,0]=4 4514 B12R1.51 CNNC(=O)CCn1cccc1 22a_100016993582_100011196273 [0,2,0,0,0,0|2,0,0]=4 4515 B12R1.51 CNNC(=O)CCn1cccn1 22a_100016993582_100000242649 [0,2,0,0,0,0|2,0,0]=4 4516 B12R1.51 CNNC(=O)NCc1ccc[nH]1 273464a_100000764082_100016993582 [0,2,0,0,0,0|2,0,0]=4 4517 B12R1.51 CNNC(=O)NCc1ccc[nH]1 512a_100016993582_100000764082 [0,2,0,0,0,0|2,0,0]=4 4518 B12R1.51 CNNC(=O)NCc1ccco1 273464a_100000185738_100016993582 [0,2,0,0,0,0|1,0,0]=3 4519 B12R1.51 CNNC(=O)NCc1ccco1 512a_100000185738_100016993582 [0,2,0,0,0,0|1,0,0]=3 4520 B12R1.51 CNNC(=O)NCc1ccco1 512a_100016993582_100000185738 [0,2,0,0,0,0|1,0,0]=3 4521 B12R1.51 CNNC(=O)NCc1cccs1 273464a_100000211653_100016993582 [0,2,0,0,0,0|1,1,0]=4 4522 B12R1.51 CNNC(=O)NCc1cccs1 512a_100000211653_100016993582 [0,2,0,0,0,0|1,1,0]=4 4523 B12R1.51 CNNC(=O)NCc1cccs1 512a_100016993582_100000211653 [0,2,0,0,0,0|1,1,0]=4 4524 B12R1.51 CNNC(=O)NCc1cnco1 273464a_100020634212_100016993582 [0,2,0,0,0,0|2,0,0]=4 4525 B12R1.51 CNNC(=O)NCc1cnco1 512a_100016993582_100020634212 [0,2,0,0,0,0|2,0,0]=4 4526 B12R1.51 CNNC(=O)NCc1cnco1 512a_100020634212_100016993582 [0,2,0,0,0,0|2,0,0]=4 4527 B12R1.51 CNNC(=O)NCc1ncco1 273464a_100016994969_100016993582 [0,2,0,0,0,0|2,0,0]=4 4528 B12R1.51 CNNC(=O)NCc1ncco1 512a_100016993582_100016994969 [0,2,0,0,0,0|2,0,0]=4 4529 B12R1.51 CNNC(=O)NCc1ncco1 512a_100016994969_100016993582 [0,2,0,0,0,0|2,0,0]=4 4530 B12R1.51 COCC(=O)CCc1c[nH]cn1 1458a_100000210968_100020628418 [0,2,0,0,0,0|2,0,0]=4 4531 B12R1.51 COCC(=O)CCc1cccs1 1458a_100000210968_100000748579 [0,2,0,0,0,0|0,1,0]=3 4532 B12R1.51 COCC(=O)CCn1cccc1 1458a_100000210968_200000035178 [0,2,0,0,0,0|2,0,0]=4 4533 B12R1.51 COCC(=O)CCn1cccn1 1458a_100000210968_100000685285 [0,2,0,0,0,0|2,0,0]=4 4534 B12R1.51 COCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210968 [0,2,0,0,0,0|2,0,0]=4 4535 B12R1.51 COCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210968 [0,2,0,0,0,0|2,0,0]=4 4536 B12R1.51 COCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210968 [0,2,0,0,0,0|2,0,0]=4 4537 B12R1.51 COCC(=O)NCc1ccco1 11a_100000185738_100000210968 [0,2,0,0,0,0|1,0,0]=3 4538 B12R1.51 COCC(=O)NCc1ccco1 1626a_100000185738_100000210968 [0,2,0,0,0,0|1,0,0]=3 4539 B12R1.51 COCC(=O)NCc1ccco1 240690a_100000185738_100000210968 [0,2,0,0,0,0|1,0,0]=3 4540 B12R1.51 COCC(=O)NCc1ccco1 34a_100138415774_100000183421 [0,2,0,0,0,0|1,0,0]=3 4541 B12R1.51 COCC(=O)NCc1ccco1 527a_100000185738_100000210968 [0,2,0,0,0,0|1,0,0]=3 4542 B12R1.51 COCC(=O)NCc1cccs1 11a_100000211653_100000210968 [0,2,0,0,0,0|1,1,0]=4 4543 B12R1.51 COCC(=O)NCc1cccs1 1626a_100000211653_100000210968 [0,2,0,0,0,0|1,1,0]=4 4544 B12R1.51 COCC(=O)NCc1cccs1 240690a_100000211653_100000210968 [0,2,0,0,0,0|1,1,0]=4 4545 B12R1.51 COCC(=O)NCc1cccs1 34a_100138415774_100000182718 [0,2,0,0,0,0|1,1,0]=4 4546 B12R1.51 COCC(=O)NCc1cccs1 527a_100000211653_100000210968 [0,2,0,0,0,0|1,1,0]=4 4547 B12R1.51 COCC(=O)NCc1cnco1 11a_100020634212_100000210968 [0,2,0,0,0,0|2,0,0]=4 4548 B12R1.51 COCC(=O)NCc1cnco1 240690a_100020634212_100000210968 [0,2,0,0,0,0|2,0,0]=4 4549 B12R1.51 COCC(=O)NCc1cnco1 527a_100020634212_100000210968 [0,2,0,0,0,0|2,0,0]=4 4550 B12R1.51 COCC(=O)NCc1ncco1 11a_100016994969_100000210968 [0,2,0,0,0,0|2,0,0]=4 4551 B12R1.51 COCC(=O)NCc1ncco1 1626a_100016994969_100000210968 [0,2,0,0,0,0|2,0,0]=4 4552 B12R1.51 COCC(=O)NCc1ncco1 240690a_100016994969_100000210968 [0,2,0,0,0,0|2,0,0]=4 4553 B12R1.51 COCC(=O)NCc1ncco1 527a_100016994969_100000210968 [0,2,0,0,0,0|2,0,0]=4 4554 B12R1.51 CSCC(=O)CCc1c[nH]cn1 1458a_100000184570_100020628418 [0,2,0,0,0,0|2,0,0]=4 4555 B12R1.51 CSCC(=O)CCc1cccs1 1458a_100000184570_100000748579 [0,2,0,0,0,0|0,1,0]=3 4556 B12R1.51 CSCC(=O)CCn1cccc1 1458a_100000184570_200000035178 [0,2,0,0,0,0|2,0,0]=4 4557 B12R1.51 CSCC(=O)CCn1cccn1 1458a_100000184570_100000685285 [0,2,0,0,0,0|2,0,0]=4 4558 B12R1.51 CSCC(=O)NCc1ccc[nH]1 11a_100000764082_100000184570 [0,2,0,0,0,0|2,0,0]=4 4559 B12R1.51 CSCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000184570 [0,2,0,0,0,0|2,0,0]=4 4560 B12R1.51 CSCC(=O)NCc1ccc[nH]1 527a_100000764082_100000184570 [0,2,0,0,0,0|2,0,0]=4 4561 B12R1.51 CSCC(=O)NCc1ccco1 11a_100000185738_100000184570 [0,2,0,0,0,0|1,0,0]=3 4562 B12R1.51 CSCC(=O)NCc1ccco1 1626a_100000185738_100000184570 [0,2,0,0,0,0|1,0,0]=3 4563 B12R1.51 CSCC(=O)NCc1ccco1 240690a_100000185738_100000184570 [0,2,0,0,0,0|1,0,0]=3 4564 B12R1.51 CSCC(=O)NCc1ccco1 527a_100000185738_100000184570 [0,2,0,0,0,0|1,0,0]=3 4565 B12R1.51 CSCC(=O)NCc1ccco1 62a_100000183421_200000210301 [0,2,0,0,0,0|1,0,0]=3 4566 B12R1.51 CSCC(=O)NCc1ccco1 62a_200000210301_100000183421 [0,2,0,0,0,0|1,0,0]=3 4567 B12R1.51 CSCC(=O)NCc1cccs1 11a_100000211653_100000184570 [0,2,0,0,0,0|1,1,0]=4 4568 B12R1.51 CSCC(=O)NCc1cccs1 1626a_100000211653_100000184570 [0,2,0,0,0,0|1,1,0]=4 4569 B12R1.51 CSCC(=O)NCc1cccs1 240690a_100000211653_100000184570 [0,2,0,0,0,0|1,1,0]=4 4570 B12R1.51 CSCC(=O)NCc1cccs1 527a_100000211653_100000184570 [0,2,0,0,0,0|1,1,0]=4 4571 B12R1.51 CSCC(=O)NCc1cccs1 62a_100000182718_200000210301 [0,2,0,0,0,0|1,1,0]=4 4572 B12R1.51 CSCC(=O)NCc1cccs1 62a_200000210301_100000182718 [0,2,0,0,0,0|1,1,0]=4 4573 B12R1.51 CSCC(=O)NCc1cnco1 11a_100020634212_100000184570 [0,2,0,0,0,0|2,0,0]=4 4574 B12R1.51 CSCC(=O)NCc1cnco1 240690a_100020634212_100000184570 [0,2,0,0,0,0|2,0,0]=4 4575 B12R1.51 CSCC(=O)NCc1cnco1 527a_100020634212_100000184570 [0,2,0,0,0,0|2,0,0]=4 4576 B12R1.51 CSCC(=O)NCc1ncco1 11a_100016994969_100000184570 [0,2,0,0,0,0|2,0,0]=4 4577 B12R1.51 CSCC(=O)NCc1ncco1 1626a_100016994969_100000184570 [0,2,0,0,0,0|2,0,0]=4 4578 B12R1.51 CSCC(=O)NCc1ncco1 240690a_100016994969_100000184570 [0,2,0,0,0,0|2,0,0]=4 4579 B12R1.51 CSCC(=O)NCc1ncco1 527a_100016994969_100000184570 [0,2,0,0,0,0|2,0,0]=4 4580 B12R1.51 N#CCC(=O)CCc1c[nH]cn1 1458a_100051588842_100020628418 [0,2,0,0,0,0|2,0,0]=4 4581 B12R1.51 N#CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100011214920 [0,2,0,0,0,0|2,0,0]=4 4582 B12R1.51 N#CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100011214920 [0,2,0,0,0,0|1,0,0]=3 4583 B12R1.51 N#CCC(=O)CCc1ccco1 1458a_100000185103_100011214920 [0,2,0,0,0,0|0,0,0]=2 4584 B12R1.51 N#CCC(=O)CCc1cccs1 1458a_100000185280_100011214920 [0,2,0,0,0,0|0,1,0]=3 4585 B12R1.51 N#CCC(=O)CCc1cccs1 1458a_100051588842_100000748579 [0,2,0,0,0,0|0,1,0]=3 4586 B12R1.51 N#CCC(=O)CCc1ccsc1 1458a_100000195497_100011214920 [0,2,0,0,0,0|2,0,0]=4 4587 B12R1.51 N#CCC(=O)CCc1cnc[nH]1 1458a_100000044180_100011214920 [0,2,0,0,0,0|2,0,0]=4 4588 B12R1.51 N#CCC(=O)CCc1cncs1 1458a_100012184922_100011214920 [0,2,0,0,0,0|1,1,0]=4 4589 B12R1.51 N#CCC(=O)CCc1ncc[nH]1 1458a_100000722789_100011214920 [0,2,0,0,0,0|2,0,0]=4 4590 B12R1.51 N#CCC(=O)CCc1nccs1 1458a_100000742873_100011214920 [0,2,0,0,0,0|1,1,0]=4 4591 B12R1.51 N#CCC(=O)CCn1cccc1 1458a_100011196273_100011214920 [0,2,0,0,0,0|2,0,0]=4 4592 B12R1.51 N#CCC(=O)CCn1cccc1 1458a_100051588842_200000035178 [0,2,0,0,0,0|2,0,0]=4 4593 B12R1.51 N#CCC(=O)CCn1cccn1 1458a_100000242649_100011214920 [0,2,0,0,0,0|2,0,0]=4 4594 B12R1.51 N#CCC(=O)CCn1cccn1 1458a_100051588842_100000685285 [0,2,0,0,0,0|2,0,0]=4 4595 B12R1.51 N#CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100051588842 [0,2,0,0,0,0|2,0,0]=4 4596 B12R1.51 N#CCC(=O)NCc1ccco1 1626a_100000185738_100051588842 [0,2,0,0,0,0|1,0,0]=3 4597 B12R1.51 N#CCC(=O)NCc1ccco1 240690a_100000185738_100051588842 [0,2,0,0,0,0|1,0,0]=3 4598 B12R1.51 N#CCC(=O)NCc1cccs1 1626a_100000211653_100051588842 [0,2,0,0,0,0|1,1,0]=4 4599 B12R1.51 N#CCC(=O)NCc1cccs1 240690a_100000211653_100051588842 [0,2,0,0,0,0|1,1,0]=4 4600 B12R1.51 N#CCC(=O)NCc1cnco1 240690a_100020634212_100051588842 [0,2,0,0,0,0|2,0,0]=4 4601 B12R1.51 N#CCC(=O)NCc1ncco1 1626a_100016994969_100051588842 [0,2,0,0,0,0|2,0,0]=4 4602 B12R1.51 N#CCC(=O)NCc1ncco1 240690a_100016994969_100051588842 [0,2,0,0,0,0|2,0,0]=4 4603 B12R1.51 O=C(C=CBr)CCc1cccs1 1458a_100016273825_100000748579 [0,2,0,0,0,0|0,1,1]=4 4604 B12R1.51 O=C(C=CBr)NCc1ccco1 1626a_100000185738_100016273825 [0,2,0,0,0,0|1,0,1]=4 4605 B12R1.51 O=C(C=CBr)NCc1ccco1 240690a_100000185738_100016273825 [0,2,0,0,0,0|1,0,1]=4 4606 B12R1.51 O=C(C=CCl)CCc1cccs1 1458a_200016279998_100000748579 [0,2,0,0,0,0|0,1,1]=4 4607 B12R1.51 O=C(C=CCl)NCc1ccco1 11a_100000185738_200016279998 [0,2,0,0,0,0|1,0,1]=4 4608 B12R1.51 O=C(C=CCl)NCc1ccco1 1626a_100000185738_200016279998 [0,2,0,0,0,0|1,0,1]=4 4609 B12R1.51 O=C(C=CCl)NCc1ccco1 240690a_100000185738_200016279998 [0,2,0,0,0,0|1,0,1]=4 4610 B12R1.51 O=C(C=CI)CCc1cccs1 1458a_100016256311_100000748579 [0,2,0,0,0,0|0,1,1]=4 4611 B12R1.51 O=C(C=CI)NCc1ccco1 1626a_100000185738_100016256311 [0,2,0,0,0,0|1,0,1]=4 4612 B12R1.51 O=C(CCF)CCc1cc[nH]c1 1458a_200000093579_100011217306 [0,2,0,0,0,0|2,0,0]=4 4613 B12R1.51 O=C(CCF)CCc1ccc[nH]1 1458a_200011998680_100011217306 [0,2,0,0,0,0|1,0,0]=3 4614 B12R1.51 O=C(CCF)CCc1ccco1 1458a_100000185103_100011217306 [0,2,0,0,0,0|0,0,0]=2 4615 B12R1.51 O=C(CCF)CCc1cccs1 1458a_100000185280_100011217306 [0,2,0,0,0,0|0,1,0]=3 4616 B12R1.51 O=C(CCF)CCc1ccsc1 1458a_100000195497_100011217306 [0,2,0,0,0,0|2,0,0]=4 4617 B12R1.51 O=C(CCF)CCc1cnc[nH]1 1458a_100000044180_100011217306 [0,2,0,0,0,0|2,0,0]=4 4618 B12R1.51 O=C(CCF)CCc1cncs1 1458a_100012184922_100011217306 [0,2,0,0,0,0|1,1,0]=4 4619 B12R1.51 O=C(CCF)CCc1ncc[nH]1 1458a_100000722789_100011217306 [0,2,0,0,0,0|2,0,0]=4 4620 B12R1.51 O=C(CCF)CCc1nccs1 1458a_100000742873_100011217306 [0,2,0,0,0,0|1,1,0]=4 4621 B12R1.51 O=C(CCF)CCn1cccc1 1458a_100011196273_100011217306 [0,2,0,0,0,0|2,0,0]=4 4622 B12R1.51 O=C(CCF)CCn1cccn1 1458a_100000242649_100011217306 [0,2,0,0,0,0|2,0,0]=4 4623 B12R1.51 O=C(CCO)CCc1c[nH]cn1 1458a_100011216618_100020628418 [0,2,0,0,0,0|2,0,0]=4 4624 B12R1.51 O=C(CCO)CCc1cc[nH]c1 1458a_200000093579_100000211926 [0,2,0,0,0,0|2,0,0]=4 4625 B12R1.51 O=C(CCO)CCc1ccc[nH]1 1458a_200011998680_100000211926 [0,2,0,0,0,0|1,0,0]=3 4626 B12R1.51 O=C(CCO)CCc1ccco1 1458a_100000185103_100000211926 [0,2,0,0,0,0|0,0,0]=2 4627 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100000185280_100000211926 [0,2,0,0,0,0|0,1,0]=3 4628 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100011216618_100000748579 [0,2,0,0,0,0|0,1,0]=3 4629 B12R1.51 O=C(CCO)CCc1ccsc1 1458a_100000195497_100000211926 [0,2,0,0,0,0|2,0,0]=4 4630 B12R1.51 O=C(CCO)CCc1cnc[nH]1 1458a_100000044180_100000211926 [0,2,0,0,0,0|2,0,0]=4 4631 B12R1.51 O=C(CCO)CCc1cncs1 1458a_100012184922_100000211926 [0,2,0,0,0,0|1,1,0]=4 4632 B12R1.51 O=C(CCO)CCc1ncc[nH]1 1458a_100000722789_100000211926 [0,2,0,0,0,0|2,0,0]=4 4633 B12R1.51 O=C(CCO)CCc1nccs1 1458a_100000742873_100000211926 [0,2,0,0,0,0|1,1,0]=4 4634 B12R1.51 O=C(CCO)CCn1cccc1 1458a_100011196273_100000211926 [0,2,0,0,0,0|2,0,0]=4 4635 B12R1.51 O=C(CCO)CCn1cccc1 1458a_100011216618_200000035178 [0,2,0,0,0,0|2,0,0]=4 4636 B12R1.51 O=C(CCO)CCn1cccn1 1458a_100000242649_100000211926 [0,2,0,0,0,0|2,0,0]=4 4637 B12R1.51 O=C(CCO)CCn1cccn1 1458a_100011216618_100000685285 [0,2,0,0,0,0|2,0,0]=4 4638 B12R1.51 O=C(CCO)NCc1ccc[nH]1 240690a_100000764082_100011216618 [0,2,0,0,0,0|2,0,0]=4 4639 B12R1.51 O=C(CCO)NCc1ccco1 240690a_100000185738_100011216618 [0,2,0,0,0,0|1,0,0]=3 4640 B12R1.51 O=C(CCO)NCc1cccs1 240690a_100000211653_100011216618 [0,2,0,0,0,0|1,1,0]=4 4641 B12R1.51 O=C(CCO)NCc1cnco1 240690a_100020634212_100011216618 [0,2,0,0,0,0|2,0,0]=4 4642 B12R1.51 O=C(CCO)NCc1ncco1 240690a_100016994969_100011216618 [0,2,0,0,0,0|2,0,0]=4 4643 B12R1.51 O=C(CSc1ccco1)NCO 62a_100000185155_100009814098 [0,2,0,0,0,0|1,0,0]=3 4644 B12R1.51 O=C(CSc1ccco1)NCO 62a_100009814098_100000185155 [0,2,0,0,0,0|1,0,0]=3 4645 B12R1.51 O=C(CSc1cccs1)NCO 62a_100000185155_100011215356 [0,2,0,0,0,0|1,1,0]=4 4646 B12R1.51 O=C(CSc1cccs1)NCO 62a_100011215356_100000185155 [0,2,0,0,0,0|1,1,0]=4 4647 B12R1.51 O=C(CSc1cnco1)NCO 62a_100000185155_100020591547 [0,2,0,0,0,0|2,0,0]=4 4648 B12R1.51 O=C(CSc1cnco1)NCO 62a_100020591547_100000185155 [0,2,0,0,0,0|2,0,0]=4 4649 B12R1.51 O=C(CSc1ncco1)NCO 62a_100000185155_100011787736 [0,2,0,0,0,0|2,0,0]=4 4650 B12R1.51 O=C(CSc1ncco1)NCO 62a_100011787736_100000185155 [0,2,0,0,0,0|2,0,0]=4 4651 B12R1.51 [13CH3]NCC(=O)NCc1ccco1 2230a_100000741066_200025704644 [0,2,0,0,0,0|1,0,0]=3 4652 B12R1.51 [13CH3]SCC(=O)NCc1ccco1 62a_100000183421_200025704644 [0,2,0,0,0,0|1,0,0]=3 4653 B12R1.51 [13CH3]SCC(=O)NCc1ccco1 62a_200025704644_100000183421 [0,2,0,0,0,0|1,0,0]=3 4654 B12R1.51 [13CH3]SCC(=O)NCc1cccs1 62a_100000182718_200025704644 [0,2,0,0,0,0|1,1,0]=4 4655 B12R1.51 [13CH3]SCC(=O)NCc1cccs1 62a_200025704644_100000182718 [0,2,0,0,0,0|1,1,0]=4 4656 B12R1.108 C=CC(=O)N(C)Cc1ccco1 240690a_100000185268_200121576911 [0,2,0,0,0,0|1,0,1]=4 4657 B12R1.108 CC(=Cc1ccco1)C(=O)CF 1458a_100011995979_100015361967 [0,2,0,0,0,0|0,0,2]=4 4658 B12R1.108 CC(Cn1cccn1)C(=O)CF 1458a_100000740329_100015361967 [0,2,0,0,0,0|2,0,0]=4 4659 B12R1.108 CCC(=O)C(=Cc1ccco1)C 1458a_100011995979_100000210202 [0,2,0,0,0,0|0,0,2]=4 4660 B12R1.108 CCC(=O)C(C)Cn1cccn1 1458a_100000740329_100000210202 [0,2,0,0,0,0|2,0,0]=4 4661 B12R1.108 CCC(=O)C(C)Sc1ccco1 62a_100000742827_100009814098 [0,2,0,0,0,0|1,0,0]=3 4662 B12R1.108 CCC(=O)C(C)Sc1ccco1 62a_100009814098_100000742827 [0,2,0,0,0,0|1,0,0]=3 4663 B12R1.108 CCC(=O)C(C)Sc1cccs1 62a_100000742827_100011215356 [0,2,0,0,0,0|1,1,0]=4 4664 B12R1.108 CCC(=O)C(C)Sc1cccs1 62a_100011215356_100000742827 [0,2,0,0,0,0|1,1,0]=4 4665 B12R1.108 CCC(=O)C(C)Sc1cnco1 62a_100000742827_100020591547 [0,2,0,0,0,0|2,0,0]=4 4666 B12R1.108 CCC(=O)C(C)Sc1cnco1 62a_100020591547_100000742827 [0,2,0,0,0,0|2,0,0]=4 4667 B12R1.108 CCC(=O)C(C)Sc1ncco1 62a_100000742827_100011787736 [0,2,0,0,0,0|2,0,0]=4 4668 B12R1.108 CCC(=O)C(C)Sc1ncco1 62a_100011787736_100000742827 [0,2,0,0,0,0|2,0,0]=4 4669 B12R1.108 CCC(=O)N(C)Cc1ccco1 11a_100000185268_100000210414 [0,2,0,0,0,0|1,0,0]=3 4670 B12R1.108 CCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000210414 [0,2,0,0,0,0|1,0,0]=3 4671 B12R1.108 CCC(=O)N(C)Cc1ccco1 527a_100000185268_100000210414 [0,2,0,0,0,0|1,0,0]=3 4672 B12R1.108 CCC(=O)N(C)Cc1cccs1 11a_100000184426_100000210414 [0,2,0,0,0,0|1,1,0]=4 4673 B12R1.108 CCC(=O)N(C)Cc1cccs1 240690a_100000184426_100000210414 [0,2,0,0,0,0|1,1,0]=4 4674 B12R1.108 CCC(=O)N(C)Cc1cccs1 527a_100000184426_100000210414 [0,2,0,0,0,0|1,1,0]=4 4675 B12R1.108 CN(Cc1ccco1)C(=O)CO 240690a_100000185268_100000210174 [0,2,0,0,0,0|1,0,0]=3 4676 B12R1.108 CN(Cc1ccco1)C(=O)CO 527a_100000185268_100000210174 [0,2,0,0,0,0|1,0,0]=3 4677 B12R1.108 CN(Cc1cccs1)C(=O)CO 240690a_100000184426_100000210174 [0,2,0,0,0,0|1,1,0]=4 4678 B12R1.108 CN(Cc1cccs1)C(=O)CO 527a_100000184426_100000210174 [0,2,0,0,0,0|1,1,0]=4 4679 B12R1.108 CNC(=O)C(=Cc1ccco1)C 11a_106832991635_100011995979 [0,2,0,0,0,0|0,0,2]=4 4680 B12R1.108 CNC(=O)C(=Cc1ccco1)C 1626a_100102657272_100011995979 [0,2,0,0,0,0|0,0,2]=4 4681 B12R1.108 CNC(=O)C(=Cc1ccco1)C 527a_100102657272_100011995979 [0,2,0,0,0,0|0,0,2]=4 4682 B12R1.108 CNC(=O)C(=O)Cc1ncco1 1458a_100011218921_103436540062 [0,2,0,0,0,0|1,0,1]=4 4683 B12R1.108 CNC(=O)C(C)Cn1cccn1 11a_106832991635_100000740329 [0,2,0,0,0,0|2,0,0]=4 4684 B12R1.108 CNC(=O)C(C)Cn1cccn1 1626a_100102657272_100000740329 [0,2,0,0,0,0|2,0,0]=4 4685 B12R1.108 CNC(=O)C(C)Cn1cccn1 240690a_100102657272_100000740329 [0,2,0,0,0,0|2,0,0]=4 4686 B12R1.108 CNC(=O)C(C)Cn1cccn1 527a_100102657272_100000740329 [0,2,0,0,0,0|2,0,0]=4 4687 B12R1.108 CNC(=O)C(C)Sc1ccco1 62a_100000209862_100009814098 [0,2,0,0,0,0|1,0,0]=3 4688 B12R1.108 CNC(=O)C(C)Sc1ccco1 62a_100009814098_100000731044 [0,2,0,0,0,0|1,0,0]=3 4689 B12R1.108 CNC(=O)C(C)Sc1cccs1 62a_100000209862_100011215356 [0,2,0,0,0,0|1,1,0]=4 4690 B12R1.108 CNC(=O)C(C)Sc1cccs1 62a_100011215356_100000731044 [0,2,0,0,0,0|1,1,0]=4 4691 B12R1.108 CNC(=O)C(C)Sc1cnco1 62a_100000209862_100020591547 [0,2,0,0,0,0|2,0,0]=4 4692 B12R1.108 CNC(=O)C(C)Sc1cnco1 62a_100020591547_100000731044 [0,2,0,0,0,0|2,0,0]=4 4693 B12R1.108 CNC(=O)C(C)Sc1ncco1 62a_100000209862_100011787736 [0,2,0,0,0,0|2,0,0]=4 4694 B12R1.108 CNC(=O)C(C)Sc1ncco1 62a_100011787736_100000731044 [0,2,0,0,0,0|2,0,0]=4 4695 B12R1.108 CNC(=O)C(F)Sc1ccco1 62a_100009813575_100009814098 [0,2,0,0,0,0|1,0,0]=3 4696 B12R1.108 CNC(=O)C(F)Sc1ccco1 62a_100009814098_100009813575 [0,2,0,0,0,0|1,0,0]=3 4697 B12R1.108 CNC(=O)C(F)Sc1cccs1 62a_100009813575_100011215356 [0,2,0,0,0,0|1,1,0]=4 4698 B12R1.108 CNC(=O)C(F)Sc1cccs1 62a_100011215356_100009813575 [0,2,0,0,0,0|1,1,0]=4 4699 B12R1.108 CNC(=O)C(F)Sc1cnco1 62a_100009813575_100020591547 [0,2,0,0,0,0|2,0,0]=4 4700 B12R1.108 CNC(=O)C(F)Sc1cnco1 62a_100020591547_100009813575 [0,2,0,0,0,0|2,0,0]=4 4701 B12R1.108 CNC(=O)C(F)Sc1ncco1 62a_100009813575_100011787736 [0,2,0,0,0,0|2,0,0]=4 4702 B12R1.108 CNC(=O)C(F)Sc1ncco1 62a_100011787736_100009813575 [0,2,0,0,0,0|2,0,0]=4 4703 B12R1.108 CNC(=O)N(C)Cc1ccco1 2708a_100102657272_100000185268 [0,2,0,0,0,0|1,0,0]=3 4704 B12R1.108 CNC(=O)N(C)Cc1cccs1 2708a_100102657272_100000184426 [0,2,0,0,0,0|1,1,0]=4 4705 B12R1.108 COC(=O)C(C)Sc1ccco1 62a_100000211248_100009814098 [0,2,0,0,0,0|1,0,0]=3 4706 B12R1.108 COC(=O)C(C)Sc1ccco1 62a_100009814098_100000211248 [0,2,0,0,0,0|1,0,0]=3 4707 B12R1.108 COC(=O)C(C)Sc1cccs1 62a_100000211248_100011215356 [0,2,0,0,0,0|1,1,0]=4 4708 B12R1.108 COC(=O)C(C)Sc1cccs1 62a_100011215356_100000211248 [0,2,0,0,0,0|1,1,0]=4 4709 B12R1.108 COC(=O)C(C)Sc1cnco1 62a_100000211248_100020591547 [0,2,0,0,0,0|2,0,0]=4 4710 B12R1.108 COC(=O)C(C)Sc1cnco1 62a_100020591547_100000211248 [0,2,0,0,0,0|2,0,0]=4 4711 B12R1.108 COC(=O)C(C)Sc1ncco1 62a_100000211248_100011787736 [0,2,0,0,0,0|2,0,0]=4 4712 B12R1.108 COC(=O)C(C)Sc1ncco1 62a_100011787736_100000211248 [0,2,0,0,0,0|2,0,0]=4 4713 B12R1.196 CCS(=O)(=O)NCc1ccco1 270084a_100000185738_100000211323 [0,2,0,0,0,0|2,0,0]=4 4714 B12R1.196 CCS(=O)(=O)NCc1ccco1 274078a_100000185738_100000211323 [0,2,0,0,0,0|2,0,0]=4 4715 B12R1.196 CCS(=O)(=O)NCc1ccco1 40a_100000185738_100000053943 [0,2,0,0,0,0|2,0,0]=4 4716 B12R1.196 O=S(=O)(CCl)NCc1ccco1 270084a_100000185738_100000031410 [0,2,0,0,0,0|2,0,0]=4 4717 B12R1.196 O=S(=O)(CCl)NCc1ccco1 274078a_100000185738_100000031410 [0,2,0,0,0,0|2,0,0]=4 4718 B12R1.353 CCC(=O)CCc1ccnn1C 1458a_100000763893_100000210202 [0,2,0,0,0,0|2,0,0]=4 4719 B12R1.353 CCC(=O)CCc1nccn1C 1458a_200011261795_100000210202 [0,2,0,0,0,0|2,0,0]=4 4720 B12R1.353 CCC(=O)CCc1scnc1C 1458a_100000210414_100000057103 [0,2,0,0,0,0|1,1,0]=4 4721 B12R1.353 CCC(=O)CCc1scnc1C 1458a_100011934404_100000210202 [0,2,0,0,0,0|1,1,0]=4 4722 B12R1.353 CCC(=O)CCn1nccc1C 1458a_100000210414_100011934269 [0,2,0,0,0,0|2,0,0]=4 4723 B12R1.353 CCC(=O)CCn1nccc1C 1458a_200000759149_100000210202 [0,2,0,0,0,0|2,0,0]=4 4724 B12R1.353 CCC(=O)CSc1sccc1Br 62a_100000747405_100012361411 [0,2,0,0,0,0|1,1,0]=4 4725 B12R1.353 CCC(=O)CSc1sccc1Br 62a_100012361411_100000747405 [0,2,0,0,0,0|1,1,0]=4 4726 B12R1.353 CCC(=O)CSc1sccc1C 62a_100000747405_100010247149 [0,2,0,0,0,0|1,1,0]=4 4727 B12R1.353 CCC(=O)CSc1sccc1C 62a_100010247149_100000747405 [0,2,0,0,0,0|1,1,0]=4 4728 B12R1.353 CCC(=O)NCc1cccn1C 11a_100011219357_100000210414 [0,2,0,0,0,0|2,0,0]=4 4729 B12R1.353 CCC(=O)NCc1cccn1C 1626a_100011219357_100000210414 [0,2,0,0,0,0|2,0,0]=4 4730 B12R1.353 CCC(=O)NCc1cccn1C 240690a_100011219357_100000210414 [0,2,0,0,0,0|2,0,0]=4 4731 B12R1.353 CCC(=O)NCc1cccn1C 527a_100011219357_100000210414 [0,2,0,0,0,0|2,0,0]=4 4732 B12R1.353 CCC(=O)NCc1sccc1C 11a_100000238519_100000210414 [0,2,0,0,0,0|1,1,0]=4 4733 B12R1.353 CCC(=O)NCc1sccc1C 1626a_100000238519_100000210414 [0,2,0,0,0,0|1,1,0]=4 4734 B12R1.353 CCC(=O)NCc1sccc1C 240690a_100000238519_100000210414 [0,2,0,0,0,0|1,1,0]=4 4735 B12R1.353 CCC(=O)NCc1sccc1C 527a_100000238519_100000210414 [0,2,0,0,0,0|1,1,0]=4 4736 B12R1.353 CCC(=O)NCc1sccc1Cl 11a_100011934584_100000210414 [0,2,0,0,0,0|1,1,0]=4 4737 B12R1.353 CCC(=O)NCc1sccc1Cl 1626a_100011934584_100000210414 [0,2,0,0,0,0|1,1,0]=4 4738 B12R1.353 CCC(=O)NCc1sccc1Cl 240690a_100011934584_100000210414 [0,2,0,0,0,0|1,1,0]=4 4739 B12R1.353 CCC(=O)NCc1sccc1Cl 527a_100011934584_100000210414 [0,2,0,0,0,0|1,1,0]=4 4740 B12R1.353 CNC(=O)CCc1ccnn1C 11a_106832991635_100000763893 [0,2,0,0,0,0|2,0,0]=4 4741 B12R1.353 CNC(=O)CCc1ccnn1C 1626a_100102657272_100000763893 [0,2,0,0,0,0|2,0,0]=4 4742 B12R1.353 CNC(=O)CCc1ccnn1C 240690a_100102657272_100000763893 [0,2,0,0,0,0|2,0,0]=4 4743 B12R1.353 CNC(=O)CCc1ccnn1C 527a_100102657272_100000763893 [0,2,0,0,0,0|2,0,0]=4 4744 B12R1.353 CNC(=O)CCc1nccn1C 1626a_100102657272_200011261795 [0,2,0,0,0,0|2,0,0]=4 4745 B12R1.353 CNC(=O)CCc1nccn1C 240690a_100102657272_200011261795 [0,2,0,0,0,0|2,0,0]=4 4746 B12R1.353 CNC(=O)CCc1nccn1C 527a_100102657272_200011261795 [0,2,0,0,0,0|2,0,0]=4 4747 B12R1.353 CNC(=O)CCc1scnc1C 11a_106832991635_100011934404 [0,2,0,0,0,0|1,1,0]=4 4748 B12R1.353 CNC(=O)CCc1scnc1C 1626a_100102657272_100011934404 [0,2,0,0,0,0|1,1,0]=4 4749 B12R1.353 CNC(=O)CCc1scnc1C 240690a_100102657272_100011934404 [0,2,0,0,0,0|1,1,0]=4 4750 B12R1.353 CNC(=O)CCc1scnc1C 527a_100102657272_100011934404 [0,2,0,0,0,0|1,1,0]=4 4751 B12R1.353 CNC(=O)CCn1nccc1C 11a_106832991635_200000759149 [0,2,0,0,0,0|2,0,0]=4 4752 B12R1.353 CNC(=O)CCn1nccc1C 1626a_100102657272_200000759149 [0,2,0,0,0,0|2,0,0]=4 4753 B12R1.353 CNC(=O)CCn1nccc1C 240690a_100102657272_200000759149 [0,2,0,0,0,0|2,0,0]=4 4754 B12R1.353 CNC(=O)CCn1nccc1C 527a_100102657272_200000759149 [0,2,0,0,0,0|2,0,0]=4 4755 B12R1.353 CNC(=O)CSc1sccc1Br 62a_100000183359_100012361411 [0,2,0,0,0,0|1,1,0]=4 4756 B12R1.353 CNC(=O)CSc1sccc1Br 62a_100012361411_100000183359 [0,2,0,0,0,0|1,1,0]=4 4757 B12R1.353 CNC(=O)CSc1sccc1C 62a_100000183359_100010247149 [0,2,0,0,0,0|1,1,0]=4 4758 B12R1.353 CNC(=O)CSc1sccc1C 62a_100010247149_100000183359 [0,2,0,0,0,0|1,1,0]=4 4759 B12R1.353 CNC(=O)NCc1cccn1C 2708a_100011219357_106832991635 [0,2,0,0,0,0|2,0,0]=4 4760 B12R1.353 CNC(=O)NCc1cccn1C 2708a_100102657272_100011219357 [0,2,0,0,0,0|2,0,0]=4 4761 B12R1.353 CNC(=O)NCc1cccn1C 273464a_100011219357_100102657272 [0,2,0,0,0,0|2,0,0]=4 4762 B12R1.353 CNC(=O)NCc1cccn1C 273464a_100102657272_100011219357 [0,2,0,0,0,0|2,0,0]=4 4763 B12R1.353 CNC(=O)NCc1cccn1C 512a_100011219357_100102657272 [0,2,0,0,0,0|2,0,0]=4 4764 B12R1.353 CNC(=O)NCc1cccn1C 512a_106832991638_100011219357 [0,2,0,0,0,0|2,0,0]=4 4765 B12R1.353 CNC(=O)NCc1sccc1C 2708a_100000238519_106832991635 [0,2,0,0,0,0|1,1,0]=4 4766 B12R1.353 CNC(=O)NCc1sccc1C 2708a_100102657272_100000238519 [0,2,0,0,0,0|1,1,0]=4 4767 B12R1.353 CNC(=O)NCc1sccc1C 273464a_100000238519_100102657272 [0,2,0,0,0,0|1,1,0]=4 4768 B12R1.353 CNC(=O)NCc1sccc1C 273464a_100102657272_100000238519 [0,2,0,0,0,0|1,1,0]=4 4769 B12R1.353 CNC(=O)NCc1sccc1C 512a_100000238519_100102657272 [0,2,0,0,0,0|1,1,0]=4 4770 B12R1.353 CNC(=O)NCc1sccc1C 512a_106832991638_100000238519 [0,2,0,0,0,0|1,1,0]=4 4771 B12R1.353 CNC(=O)NCc1sccc1Cl 2708a_100011934584_106832991635 [0,2,0,0,0,0|1,1,0]=4 4772 B12R1.353 CNC(=O)NCc1sccc1Cl 2708a_100102657272_100011934584 [0,2,0,0,0,0|1,1,0]=4 4773 B12R1.353 CNC(=O)NCc1sccc1Cl 273464a_100011934584_100102657272 [0,2,0,0,0,0|1,1,0]=4 4774 B12R1.353 CNC(=O)NCc1sccc1Cl 273464a_100102657272_100011934584 [0,2,0,0,0,0|1,1,0]=4 4775 B12R1.353 CNC(=O)NCc1sccc1Cl 512a_100011934584_100102657272 [0,2,0,0,0,0|1,1,0]=4 4776 B12R1.353 CNC(=O)NCc1sccc1Cl 512a_106832991638_100011934584 [0,2,0,0,0,0|1,1,0]=4 4777 B12R1.353 COC(=O)CSc1sccc1Br 62a_100000747449_100012361411 [0,2,0,0,0,0|1,1,0]=4 4778 B12R1.353 COC(=O)CSc1sccc1Br 62a_100012361411_100000747449 [0,2,0,0,0,0|1,1,0]=4 4779 B12R1.353 COC(=O)CSc1sccc1C 62a_100000747449_100010247149 [0,2,0,0,0,0|1,1,0]=4 4780 B12R1.353 COC(=O)CSc1sccc1C 62a_100010247149_100000747449 [0,2,0,0,0,0|1,1,0]=4 4781 B12R1.353 Cc1ccnn1CCC(=O)CF 1458a_200000759149_100015361967 [0,2,0,0,0,0|2,0,0]=4 4782 B12R1.353 Cc1ccnn1CCC(=O)CO 1458a_100000210174_100011934269 [0,2,0,0,0,0|2,0,0]=4 4783 B12R1.353 Cc1ccsc1CNC(=O)CO 240690a_100000238519_100000210174 [0,2,0,0,0,0|1,1,0]=4 4784 B12R1.353 Cc1ccsc1CNC(=O)CO 527a_100000238519_100000210174 [0,2,0,0,0,0|1,1,0]=4 4785 B12R1.353 Cc1ncsc1CCC(=O)CF 1458a_100011934404_100015361967 [0,2,0,0,0,0|1,1,0]=4 4786 B12R1.353 Cc1ncsc1CCC(=O)CO 1458a_100000210174_100000057103 [0,2,0,0,0,0|1,1,0]=4 4787 B12R1.353 Cn1cccc1CNC(=O)CO 240690a_100011219357_100000210174 [0,2,0,0,0,0|2,0,0]=4 4788 B12R1.353 Cn1cccc1CNC(=O)CO 527a_100011219357_100000210174 [0,2,0,0,0,0|2,0,0]=4 4789 B12R1.353 Cn1ccnc1CCC(=O)CF 1458a_200011261795_100015361967 [0,2,0,0,0,0|2,0,0]=4 4790 B12R1.353 Cn1nccc1CCC(=O)CF 1458a_100000763893_100015361967 [0,2,0,0,0,0|2,0,0]=4 4791 B12R1.353 O=C(CO)NCc1sccc1Cl 240690a_100011934584_100000210174 [0,2,0,0,0,0|1,1,0]=4 4792 B12R1.353 O=C(CO)NCc1sccc1Cl 527a_100011934584_100000210174 [0,2,0,0,0,0|1,1,0]=4 4793 B12R1.104 CC(=O)C(C)Sc1cc(cs1)C 62a_100009814033_100009876951 [0,2,0,0,0,0|1,1,0]=4 4794 B12R1.104 CC(=O)C(C)Sc1cc(cs1)C 62a_100009876951_100009814033 [0,2,0,0,0,0|1,1,0]=4 4795 B12R1.104 CC(=O)C(C)Sc1ccc(s1)Br 62a_100009814033_100010197418 [0,2,0,0,0,0|1,1,0]=4 4796 B12R1.104 CC(=O)C(C)Sc1ccc(s1)Br 62a_100010197418_100009814033 [0,2,0,0,0,0|1,1,0]=4 4797 B12R1.104 CC(=O)C(C)Sc1ccc(s1)C 62a_100000031368_100009814033 [0,2,0,0,0,0|1,1,0]=4 4798 B12R1.104 CC(=O)C(C)Sc1ccc(s1)C 62a_100009814033_100000031368 [0,2,0,0,0,0|1,1,0]=4 4799 B12R1.104 CC(=O)N(C)Cc1cc(cs1)Br 11a_100000207611_100015343762 [0,2,0,0,0,0|1,1,0]=4 4800 B12R1.104 CC(=O)N(C)Cc1cc(cs1)Br 240690a_100000207611_100015343762 [0,2,0,0,0,0|1,1,0]=4 4801 B12R1.104 CC(=O)N(C)Cc1cc(cs1)Br 527a_100000207611_100103153847 [0,2,0,0,0,0|1,1,0]=4 4802 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 11a_100011502060_100015343762 [0,2,0,0,0,0|1,1,0]=4 4803 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 1626a_100011502060_100015343762 [0,2,0,0,0,0|1,1,0]=4 4804 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 240690a_100011502060_100015343762 [0,2,0,0,0,0|1,1,0]=4 4805 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 527a_100011502060_100103153847 [0,2,0,0,0,0|1,1,0]=4 4806 B12R1.104 CC(=O)N(C)Cc1ccc(o1)Br 240690a_100000207588_100015343762 [0,2,0,0,0,0|1,0,0]=3 4807 B12R1.104 CC(=O)N(C)Cc1ccc(o1)Br 527a_100000207588_100103153847 [0,2,0,0,0,0|1,0,0]=3 4808 B12R1.104 CC(=O)N(C)Cc1ccc(o1)C 1626a_100000184526_100015343762 [0,2,0,0,0,0|1,0,0]=3 4809 B12R1.104 CC(=O)N(C)Cc1ccc(o1)C 527a_100000184526_100103153847 [0,2,0,0,0,0|1,0,0]=3 4810 B12R1.104 CC(=O)N(C)Cc1ccc(s1)C 11a_100000751125_100015343762 [0,2,0,0,0,0|1,1,0]=4 4811 B12R1.104 CC(=O)N(C)Cc1ccc(s1)C 1626a_100000751125_100015343762 [0,2,0,0,0,0|1,1,0]=4 4812 B12R1.104 CC(=O)N(C)Cc1ccc(s1)C 527a_100000751125_100103153847 [0,2,0,0,0,0|1,1,0]=4 4813 B12R1.120 CC(=O)C(C)C(=O)c1cccs1 1458a_100000070787_100011262360 [0,2,0,0,0,0|0,1,1]=4 4814 B12R1.120 CC(=O)N(C)C(C)c1ccco1 11a_100000232712_100015343762 [0,2,0,0,0,0|1,0,0]=3 4815 B12R1.120 CC(=O)N(C)C(C)c1ccco1 1626a_100000232712_100015343762 [0,2,0,0,0,0|1,0,0]=3 4816 B12R1.120 CC(=O)N(C)C(C)c1ccco1 240690a_100000232712_100015343762 [0,2,0,0,0,0|1,0,0]=3 4817 B12R1.120 CC(=O)N(C)C(C)c1ccco1 527a_100000232712_100103153847 [0,2,0,0,0,0|1,0,0]=3 4818 B12R1.120 CC(=O)N(C)C(C)c1cccs1 1626a_100000186410_100015343762 [0,2,0,0,0,0|1,1,0]=4 4819 B12R1.120 CC(=O)N(C)C(C)c1cccs1 240690a_100000186410_100015343762 [0,2,0,0,0,0|1,1,0]=4 4820 B12R1.120 CC(=O)N(C)C(C)c1cccs1 527a_100000186410_100103153847 [0,2,0,0,0,0|1,1,0]=4 4821 B12R1.145 CC(=O)C(C)Sc1sccc1Br 62a_100009814033_100012361411 [0,2,0,0,0,0|1,1,0]=4 4822 B12R1.145 CC(=O)C(C)Sc1sccc1Br 62a_100012361411_100009814033 [0,2,0,0,0,0|1,1,0]=4 4823 B12R1.145 CC(=O)C(C)Sc1sccc1C 62a_100009814033_100010247149 [0,2,0,0,0,0|1,1,0]=4 4824 B12R1.145 CC(=O)C(C)Sc1sccc1C 62a_100010247149_100009814033 [0,2,0,0,0,0|1,1,0]=4 4825 B12R1.145 CC(=O)N(C)Cc1cccn1C 11a_100000188278_100015343762 [0,2,0,0,0,0|2,0,0]=4 4826 B12R1.145 CC(=O)N(C)Cc1cccn1C 527a_100000188278_100103153847 [0,2,0,0,0,0|2,0,0]=4 4827 B12R1.145 CC(=O)N(C)Cc1occc1C 11a_100000734364_100015343762 [0,2,0,0,0,0|1,0,0]=3 4828 B12R1.145 CC(=O)N(C)Cc1occc1C 1626a_100000734364_100015343762 [0,2,0,0,0,0|1,0,0]=3 4829 B12R1.145 CC(=O)N(C)Cc1occc1C 240690a_100000734364_100015343762 [0,2,0,0,0,0|1,0,0]=3 4830 B12R1.145 CC(=O)N(C)Cc1occc1C 527a_100000734364_100103153847 [0,2,0,0,0,0|1,0,0]=3 4831 B12R1.145 CC(=O)N(C)Cc1sccc1Br 11a_100000767120_100015343762 [0,2,0,0,0,0|1,1,0]=4 4832 B12R1.145 CC(=O)N(C)Cc1sccc1Br 1626a_100000767120_100015343762 [0,2,0,0,0,0|1,1,0]=4 4833 B12R1.145 CC(=O)N(C)Cc1sccc1Br 240690a_100000767120_100015343762 [0,2,0,0,0,0|1,1,0]=4 4834 B12R1.145 CC(=O)N(C)Cc1sccc1Br 527a_100000767120_100103153847 [0,2,0,0,0,0|1,1,0]=4 4835 B12R1.145 CC(=O)N(C)Cc1sccc1C 11a_100000695154_100015343762 [0,2,0,0,0,0|1,1,0]=4 4836 B12R1.145 CC(=O)N(C)Cc1sccc1C 1626a_100000695154_100015343762 [0,2,0,0,0,0|1,1,0]=4 4837 B12R1.145 CC(=O)N(C)Cc1sccc1C 240690a_100000695154_100015343762 [0,2,0,0,0,0|1,1,0]=4 4838 B12R1.145 CC(=O)N(C)Cc1sccc1C 527a_100000695154_100103153847 [0,2,0,0,0,0|1,1,0]=4 4839 B12R1.266 CN(Cc1ccco1)S(=O)(=O)C 40a_100000185268_100000738038 [0,2,0,0,0,0|2,0,0]=4 4840 B12R1.298 CCC(Cc1ccco1)N(C)C 270004a_100102631434_200011996595 [0,2,0,0,0,0|2,0,0]=4 4841 B12R1.298 CCC(Sc1ccco1)C(=O)N 62a_100000750255_100009814098 [0,2,0,0,0,0|2,0,0]=4 4842 B12R1.298 CCC(Sc1ccco1)C(=O)N 62a_100009814098_100000750255 [0,2,0,0,0,0|2,0,0]=4 4843 B12R1.298 CCN(Cc1ccco1)C(=O)C 11a_100000739255_100015343762 [0,2,0,0,0,0|1,0,0]=3 4844 B12R1.298 CCN(Cc1ccco1)C(=O)C 1626a_100000739255_100015343762 [0,2,0,0,0,0|1,0,0]=3 4845 B12R1.298 CCN(Cc1ccco1)C(=O)C 240690a_100000739255_100015343762 [0,2,0,0,0,0|1,0,0]=3 4846 B12R1.298 CCN(Cc1ccco1)C(=O)C 527a_100000739255_100103153847 [0,2,0,0,0,0|1,0,0]=3 4847 B12R1.298 CCN(Cc1cccs1)C(=O)C 11a_100025770963_100015343762 [0,2,0,0,0,0|1,1,0]=4 4848 B12R1.298 CCN(Cc1cccs1)C(=O)C 1626a_100025770963_100015343762 [0,2,0,0,0,0|1,1,0]=4 4849 B12R1.298 CCN(Cc1cccs1)C(=O)C 240690a_100025770963_100015343762 [0,2,0,0,0,0|1,1,0]=4 4850 B12R1.298 CCN(Cc1cccs1)C(=O)C 527a_100025770963_100103153847 [0,2,0,0,0,0|1,1,0]=4 4851 B12R1.1373 CC(=O)C(C)(C)Sc1ccco1 62a_100000075568_100009814098 [0,2,0,0,0,0|1,0,0]=3 4852 B12R1.1373 CC(=O)C(C)(C)Sc1ccco1 62a_100009814098_100000075568 [0,2,0,0,0,0|1,0,0]=3 4853 B12R1.1373 CC(=O)C(C)(C)Sc1cccs1 62a_100000075568_100011215356 [0,2,0,0,0,0|1,1,0]=4 4854 B12R1.1373 CC(=O)C(C)(C)Sc1cccs1 62a_100011215356_100000075568 [0,2,0,0,0,0|1,1,0]=4 4855 B12R1.1373 CC(=O)C(C)(C)Sc1cnco1 62a_100000075568_100020591547 [0,2,0,0,0,0|2,0,0]=4 4856 B12R1.1373 CC(=O)C(C)(C)Sc1cnco1 62a_100020591547_100000075568 [0,2,0,0,0,0|2,0,0]=4 4857 B12R1.1373 CC(=O)C(C)(C)Sc1ncco1 62a_100000075568_100011787736 [0,2,0,0,0,0|2,0,0]=4 4858 B12R1.1373 CC(=O)C(C)(C)Sc1ncco1 62a_100011787736_100000075568 [0,2,0,0,0,0|2,0,0]=4 4859 B12R1.1373 CC(C)(Sc1ccco1)C(=O)N 62a_100000702505_100009814098 [0,2,0,0,0,0|2,0,0]=4 4860 B12R1.1373 CC(C)(Sc1ccco1)C(=O)N 62a_100009814098_100000702505 [0,2,0,0,0,0|2,0,0]=4 4861 B12R1.1373 NC(=O)C(F)(F)Sc1ccco1 62a_100009811971_100009814098 [0,2,0,0,0,0|2,0,0]=4 4862 B12R1.1373 NC(=O)C(F)(F)Sc1ccco1 62a_100009814098_100009811971 [0,2,0,0,0,0|2,0,0]=4 4863 B12R1.1373 O=C([O-])C(F)(F)Sc1ccco1 62a_100000745680_100009814098 [0,2,0,0,0,0|2,0,0]=4 4864 B12R1.1373 O=C([O-])C(F)(F)Sc1ccco1 62a_100009814098_100000745680 [0,2,0,0,0,0|2,0,0]=4 4865 B12R1.59 C=C(C)CSc1ccc(o1)C#N 62a_100000748629_100000764468 [0,2,0,0,0,0|2,0,0]=4 4866 B12R1.59 C=C(C)CSc1ccc(o1)C=O 62a_100000748629_100000186757 [0,2,0,0,0,0|2,0,0]=4 4867 B12R1.59 C=C(C)CSc1ccc(o1)CN 62a_100000748629_100000708654 [0,2,0,0,0,0|2,0,0]=4 4868 B12R1.59 C=C(C)CSc1ccc(o1)CO 62a_100000246276_100000211660 [0,2,0,0,0,0|2,0,0]=4 4869 B12R1.59 C=C(C)CSc1ccc(o1)CO 62a_100000748629_100000246276 [0,2,0,0,0,0|2,0,0]=4 4870 B12R1.59 CC(=O)CCn1cc(cn1)C=O 1458a_100000070787_100000058509 [0,2,0,0,0,0|2,0,0]=4 4871 B12R1.59 CC(=O)NCc1ccc(s1)C#N 11a_100015200141_100015343762 [0,2,0,0,0,0|1,1,0]=4 4872 B12R1.59 CC(=O)NCc1ccc(s1)C#N 1626a_100015200141_100015343762 [0,2,0,0,0,0|1,1,0]=4 4873 B12R1.59 CC(=O)NCc1ccc(s1)C#N 240690a_100015200141_100015343762 [0,2,0,0,0,0|1,1,0]=4 4874 B12R1.59 CC(=O)NCc1ccc(s1)C#N 527a_100015200141_100103153847 [0,2,0,0,0,0|1,1,0]=4 4875 B12R1.59 COc1cc(on1)CCC(=O)C 1458a_100000081952_200000210301 [0,2,0,0,0,0|1,0,0]=3 4876 B12R1.59 COc1cc(on1)CCC(=O)[13CH3] 1458a_100000081952_200025704644 [0,2,0,0,0,0|1,0,0]=3 4877 B12R1.59 N#Cc1ccc(o1)SCC(=O)N 62a_100000747473_100000764468 [0,2,0,0,0,0|2,0,0]=4 4878 B12R1.59 N#Cc1ccc(o1)SCC(=O)[O-] 62a_100020667443_100000764468 [0,2,0,0,0,0|2,0,0]=4 4879 B12R1.59 NC(=O)CSc1ccc(o1)C=O 62a_100000747473_100000186757 [0,2,0,0,0,0|2,0,0]=4 4880 B12R1.59 NC(=O)CSc1ccc(o1)CO 62a_100000246276_100000747473 [0,2,0,0,0,0|2,0,0]=4 4881 B12R1.59 NC(=O)CSc1ccc(o1)CO 62a_100000747473_100000246276 [0,2,0,0,0,0|2,0,0]=4 4882 B12R1.59 NCc1ccc(o1)SCC(=O)N 62a_100000747473_100000708654 [0,2,0,0,0,0|2,0,0]=4 4883 B12R1.59 NCc1ccc(o1)SCC(=O)[O-] 62a_100020667443_100000708654 [0,2,0,0,0,0|2,0,0]=4 4884 B12R1.59 O=C([O-])CSc1ccc(o1)CO 62a_100000246276_100020667443 [0,2,0,0,0,0|2,0,0]=4 4885 B12R1.59 O=C([O-])CSc1ccc(o1)CO 62a_100020667443_100000246276 [0,2,0,0,0,0|2,0,0]=4 4886 B12R1.59 O=Cc1ccc(o1)SCC(=O)[O-] 62a_100020667443_100000186757 [0,2,0,0,0,0|2,0,0]=4 4887 B12R1.103 CC(=O)CC(=O)c1ccc(s1)Br 1458a_100000070787_100000185163 [0,2,0,0,0,0|0,1,1]=4 4888 B12R1.103 CC(=O)CC(=O)c1ccc(s1)C 1458a_100000070787_100011262362 [0,2,0,0,0,0|0,1,1]=4 4889 B12R1.103 CC(=O)CC(=O)c1ccc(s1)Cl 1458a_100000070787_100000185135 [0,2,0,0,0,0|0,1,1]=4 4890 B12R1.103 CC(=O)NC(C)c1cc(cs1)Br 11a_100159270200_100015343762 [0,2,0,0,0,0|1,1,0]=4 4891 B12R1.103 CC(=O)NC(C)c1cc(cs1)Br 1626a_100159270200_100015343762 [0,2,0,0,0,0|1,1,0]=4 4892 B12R1.103 CC(=O)NC(C)c1cc(cs1)Br 240690a_100159270200_100015343762 [0,2,0,0,0,0|1,1,0]=4 4893 B12R1.103 CC(=O)NC(C)c1cc(cs1)Br 527a_100159270200_100103153847 [0,2,0,0,0,0|1,1,0]=4 4894 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 11a_100102723530_100015343762 [0,2,0,0,0,0|1,1,0]=4 4895 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 1626a_100102723530_100015343762 [0,2,0,0,0,0|1,1,0]=4 4896 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 240690a_100102723530_100015343762 [0,2,0,0,0,0|1,1,0]=4 4897 B12R1.103 CC(=O)NC(C)c1ccc(s1)Br 527a_100102723530_100103153847 [0,2,0,0,0,0|1,1,0]=4 4898 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl 11a_100102723459_100015343762 [0,2,0,0,0,0|1,1,0]=4 4899 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl 1626a_100102723459_100015343762 [0,2,0,0,0,0|1,1,0]=4 4900 B12R1.103 CC(=O)NC(C)c1ccc(s1)Cl 527a_100102723459_100103153847 [0,2,0,0,0,0|1,1,0]=4 4901 B12R1.110 CC(=O)CCn1cc(c(n1)C)Br 1458a_100000070787_100009816631 [0,2,0,0,0,0|2,0,0]=4 4902 B12R1.836 CS(=O)(=O)NCc1ccc(o1)Br 40a_100000708654_100000738038 [0,2,0,0,0,0|2,0,0]=4 4903 B12R1.836 Cc1ccc(o1)CNS(=O)(=O)C 40a_100011194323_100000738038 [0,2,0,0,0,0|2,0,0]=4 4904 B12R1.861 CC(=O)CCn1nc(cc1C)C 1458a_100000070787_100116209870 [0,2,0,0,0,0|2,0,0]=4 4905 B12R1.861 CC(=O)CCn1nc(cc1C)C 1458a_100000242725_200000210301 [0,2,0,0,0,0|2,0,0]=4 4906 B12R1.861 Cc1cc(n(n1)CCC(=O)[13CH3])C 1458a_100000242725_200025704644 [0,2,0,0,0,0|2,0,0]=4 4907 B12R1.870 CC(=O)NCc1ccc(n1C)C 1626a_100000744627_100015343762 [0,2,0,0,0,0|2,0,0]=4 4908 B12R1.870 CC(=O)NCc1ccc(n1C)C 527a_100000744627_100103153847 [0,2,0,0,0,0|2,0,0]=4 4909 B12R1.870 CC(=O)OCc1onc(c1O)C 271570a_203496583355_100010775800 [0,2,0,0,0,0|2,0,0]=4 4910 B12R1.144 CC(=O)CC(=O)c1cccn1C 1458a_100000070787_200011262399 [0,2,0,0,0,0|1,0,1]=4 4911 B12R1.144 CC(=O)CC(=O)c1sccc1Br 1458a_100000070787_100000740827 [0,2,0,0,0,0|0,1,1]=4 4912 B12R1.259 CC(=O)CC(C)(C)n1cccc1 1458a_200011216365_200000210301 [0,2,0,0,0,0|2,0,0]=4 4913 B12R1.259 CC(=O)NC(C)(C)c1cccs1 11a_100000757009_100015343762 [0,2,0,0,0,0|1,1,0]=4 4914 B12R1.259 CC(=O)NC(C)(C)c1cccs1 1626a_100000757009_100015343762 [0,2,0,0,0,0|1,1,0]=4 4915 B12R1.259 CC(=O)NC(C)(C)c1cccs1 240690a_100000757009_100015343762 [0,2,0,0,0,0|1,1,0]=4 4916 B12R1.259 CC(=O)NC(C)(C)c1cccs1 527a_100000757009_100103153847 [0,2,0,0,0,0|1,1,0]=4 4917 B12R1.259 CC(C)(CC(=O)[13CH3])n1cccc1 1458a_200011216365_200025704644 [0,2,0,0,0,0|2,0,0]=4 4918 B12R1.265 C[C@@H](NS(=O)(=O)C)c1ccco1 40a_100160469435_100000738038 [0,2,0,0,0,0|2,0,0]=4 4919 B12R1.476 CC(=O)NC(CO)c1cccs1 240690a_100102422791_100015343762 [0,2,0,0,0,0|1,1,0]=4 4920 B12R1.476 CC(=O)NC(CO)c1cccs1 527a_100102422791_100103153847 [0,2,0,0,0,0|1,1,0]=4 4921 B12R1.476 CCC(NC(=O)C)c1ccco1 11a_100015202707_100015343762 [0,2,0,0,0,0|1,0,0]=3 4922 B12R1.476 CCC(NC(=O)C)c1ccco1 1626a_100015202707_100015343762 [0,2,0,0,0,0|1,0,0]=3 4923 B12R1.476 CCC(NC(=O)C)c1ccco1 240690a_100015202707_100015343762 [0,2,0,0,0,0|1,0,0]=3 4924 B12R1.476 CCC(NC(=O)C)c1ccco1 527a_100015202707_100103153847 [0,2,0,0,0,0|1,0,0]=3 4925 B12R1.476 CCC(NC(=O)C)c1cccs1 11a_100000743277_100015343762 [0,2,0,0,0,0|1,1,0]=4 4926 B12R1.476 CCC(NC(=O)C)c1cccs1 1626a_100000743277_100015343762 [0,2,0,0,0,0|1,1,0]=4 4927 B12R1.476 CCC(NC(=O)C)c1cccs1 240690a_100000743277_100015343762 [0,2,0,0,0,0|1,1,0]=4 4928 B12R1.476 CCC(NC(=O)C)c1cccs1 527a_100000743277_100103153847 [0,2,0,0,0,0|1,1,0]=4 4929 B12R1.476 CNC(CC(=O)O)c1cccs1 269956a_100000238659_200000210301 [0,2,0,0,0,0|1,1,0]=4 4930 B12R1.476 [13CH3]NC(CC(=O)O)c1cccs1 269956a_100000238659_200025704644 [0,2,0,0,0,0|1,1,0]=4 4931 B12R1.81 CCn1cccc1CNC(=O)C 11a_103496549365_100015343762 [0,2,0,0,0,0|2,0,0]=4 4932 B12R1.81 CCn1cccc1CNC(=O)C 1626a_103496549365_100015343762 [0,2,0,0,0,0|2,0,0]=4 4933 B12R1.81 CCn1cccc1CNC(=O)C 240690a_103496549365_100015343762 [0,2,0,0,0,0|2,0,0]=4 4934 B12R1.81 CCn1cccc1CNC(=O)C 527a_103496549365_100103153847 [0,2,0,0,0,0|2,0,0]=4 4935 B12R1.895 CC(=O)CCc1c(c[nH]c1C)C 1458a_100102525370_200000210301 [0,2,0,0,0,0|2,0,0]=4 4936 B12R1.895 CC(=O)CCn1c(ccc1C)C 1458a_100000721925_200000210301 [0,2,0,0,0,0|2,0,0]=4 4937 B12R1.895 Cc1c[nH]c(c1CCC(=O)[13CH3])C 1458a_100102525370_200025704644 [0,2,0,0,0,0|2,0,0]=4 4938 B12R1.895 Cc1ccc(n1CCC(=O)[13CH3])C 1458a_100000721925_200025704644 [0,2,0,0,0,0|2,0,0]=4 4939 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,1,1,0,0|2,0,0]=4 4940 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,1,1,0,0|1,0,1]=4 4941 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,1,1,0,0|1,0,1]=4 4942 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,1,1,0,0|1,0,1]=4 4943 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,1,1,0,0|1,0,1]=4 4944 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,1,1,0,0|1,0,1]=4 4945 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,1,1,0,0|2,0,0]=4 4946 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,1,1,0,0|1,0,1]=4 4947 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,1,1,0,0|1,0,1]=4 4948 B10R1.24 C=CCOCC1CC(=O)C1 34a_100000101936_100015514636 [0,0,1,1,0,0|0,0,2]=4 4949 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,0,1,1,0,0|0,0,2]=4 4950 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,0,1,1,0,0|0,0,2]=4 4951 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,0,1,1,0,0|1,0,1]=4 4952 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,0,1,1,0,0|0,0,2]=4 4953 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,0,1,1,0,0|0,0,2]=4 4954 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,0,1,1,0,0|0,0,2]=4 4955 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,0,1,1,0,0|1,0,1]=4 4956 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,0,1,1,0,0|0,0,2]=4 4957 B10R2.193 c1coc(c1)SC2CC2 62a_100009814098_100000211595 [1,0,0,1,0,0|1,0,1]=4 4958 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,1|1,0,0]=3 4959 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,1|1,0,0]=3 4960 B12R2.6 O=C1C=C(CC1)c2ccco2 271570a_100010737933_100009814098 [0,0,0,1,0,1|0,0,1]=3 4961 B12R2.6 O=C1C=C(CC1)c2cccs2 271570a_100010737933_100011215356 [0,0,0,1,0,1|0,1,1]=4 4962 B12R2.6 O=C1C=C(CC1)c2cnco2 271570a_100010737933_100020591547 [0,0,0,1,0,1|1,0,1]=4 4963 B12R2.6 O=C1C=C(CC1)c2ncco2 271570a_100010737933_100011787736 [0,0,0,1,0,1|1,0,1]=4 4964 B12R2.136 CC1CN(C1)Cc2ccco2 270004a_100000702820_100000186105 [0,0,0,1,0,1|1,0,1]=4 4965 B12R2.136 FC1CN(C1)Cc2ccco2 270004a_100000690557_100000186105 [0,0,0,1,0,1|1,0,1]=4 4966 B12R2.136 O=C1CC(C1)Sc2c[nH]cn2 62a_100009894365_100000756875 [0,0,0,1,0,1|2,0,0]=4 4967 B12R2.136 O=C1CC(C1)Sc2cc[nH]n2 62a_100009894365_100000062575 [0,0,0,1,0,1|2,0,0]=4 4968 B12R2.136 O=C1CC(C1)Sc2ccco2 62a_100009894365_100009814098 [0,0,0,1,0,1|0,0,0]=2 4969 B12R2.136 O=C1CC(C1)Sc2cccs2 62a_100009894365_100011215356 [0,0,0,1,0,1|0,1,0]=3 4970 B12R2.136 O=C1CC(C1)Sc2ccoc2 62a_100009894365_100011215275 [0,0,0,1,0,1|2,0,0]=4 4971 B12R2.136 O=C1CC(C1)Sc2ccon2 62a_100009894365_100009818083 [0,0,0,1,0,1|2,0,0]=4 4972 B12R2.136 O=C1CC(C1)Sc2ccsc2 62a_100009894365_100000738268 [0,0,0,1,0,1|2,0,0]=4 4973 B12R2.136 O=C1CC(C1)Sc2ccsn2 62a_100009894365_100009818082 [0,0,0,1,0,1|2,0,0]=4 4974 B12R2.136 O=C1CC(C1)Sc2cnco2 62a_100009894365_100020591547 [0,0,0,1,0,1|1,0,0]=3 4975 B12R2.136 O=C1CC(C1)Sc2cncs2 62a_100009894365_100011934649 [0,0,0,1,0,1|1,1,0]=4 4976 B12R2.136 O=C1CC(C1)Sc2cscn2 62a_100009894365_100000751502 [0,0,0,1,0,1|2,0,0]=4 4977 B12R2.136 O=C1CC(C1)Sc2ncc[nH]2 62a_100009894365_100025796157 [0,0,0,1,0,1|2,0,0]=4 4978 B12R2.136 O=C1CC(C1)Sc2ncco2 62a_100009894365_100011787736 [0,0,0,1,0,1|1,0,0]=3 4979 B12R2.136 O=C1CC(C1)Sc2nccs2 62a_100009894365_100000211983 [0,0,0,1,0,1|1,1,0]=4 4980 B12R2.2383 c1coc(c1)CCNC2CC2 34a_100000694680_100000211595 [0,0,0,1,0,1|1,0,1]=4 4981 B12R2.2383 c1coc(c1)CNCC2CC2 207a_100000735609_100000186105 [0,0,0,1,0,1|1,0,1]=4 4982 B12R2.2383 c1coc(c1)CNCC2CC2 2230a_100000185738_100000742324 [0,0,0,1,0,1|1,0,1]=4 4983 B12R2.2383 c1coc(c1)CNCC2CC2 270004a_100000735609_100000186105 [0,0,0,1,0,1|1,0,1]=4 4984 B12R2.2383 c1coc(c1)CNCC2CC2 34a_100000185738_100000742324 [0,0,0,1,0,1|1,0,1]=4 4985 B12R2.2383 c1coc(c1)CNCC2CO2 2230a_100000185738_100011216344 [0,0,0,1,0,1|0,0,2]=4 4986 B12R2.2383 c1coc(c1)CNCC2CO2 34a_100000185738_102125554688 [0,0,0,1,0,1|0,0,2]=4 4987 B12R2.2383 c1coc(c1)COCC2CC2 34a_100000210059_100000742324 [0,0,0,1,0,1|1,0,1]=4 4988 B12R2.2383 c1coc(c1)COCC2CO2 34a_100000210059_102125554688 [0,0,0,1,0,1|0,0,2]=4 4989 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100000764125_100009814098 [0,0,0,1,0,1|1,0,1]=4 4990 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100009814098_100000764125 [0,0,0,1,0,1|1,0,1]=4 4991 B12R2.2383 c1coc(c1)SCCC2CO2 62a_100000732470_100009814098 [0,0,0,1,0,1|0,0,2]=4 4992 B12R2.2383 c1coc(c1)SCCC2CO2 62a_100009814098_100000732470 [0,0,0,1,0,1|0,0,2]=4 4993 B12R2.12 O=C1CCC1Sc2ccco2 62a_100009814098_100009892977 [0,1,0,1,0,0|1,0,0]=3 4994 B12R2.12 O=C1CCC1Sc2ccco2 62a_100009892977_100009814098 [0,1,0,1,0,0|1,0,0]=3 4995 B12R2.12 O=C1CCC1Sc2cccs2 62a_100009892977_100011215356 [0,1,0,1,0,0|1,1,0]=4 4996 B12R2.12 O=C1CCC1Sc2cccs2 62a_100011215356_100009892977 [0,1,0,1,0,0|1,1,0]=4 4997 B12R2.12 O=C1CCC1Sc2cnco2 62a_100009892977_100020591547 [0,1,0,1,0,0|2,0,0]=4 4998 B12R2.12 O=C1CCC1Sc2cnco2 62a_100020591547_100009892977 [0,1,0,1,0,0|2,0,0]=4 4999 B12R2.12 O=C1CCC1Sc2ncco2 62a_100009892977_100011787736 [0,1,0,1,0,0|2,0,0]=4 5000 B12R2.12 O=C1CCC1Sc2ncco2 62a_100011787736_100009892977 [0,1,0,1,0,0|2,0,0]=4 5001 B12R2.252 CC(=O)C1Cc2nccn2C1 1458a_100010353305_200000210301 [0,1,0,1,0,0|2,0,0]=4 5002 B12R2.252 [13CH3]C(=O)C1Cc2nccn2C1 1458a_100010353305_200025704644 [0,1,0,1,0,0|2,0,0]=4 5003 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,0,1,0,1,0|1,0,0]=3 5004 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,2,0|1,0,0]=3 5005 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,2,0|1,1,0]=4 5006 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,0,0,0,2,0|2,0,0]=4 5007 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,0,0,0,2,0|2,0,0]=4 5008 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,0,0,2,0|0,0,2]=4 5009 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,1|1,0,1]=4 5010 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,1|1,0,1]=4 5011 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,1|1,0,1]=4 5012 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,0,0,0,1|1,0,1]=4 5013 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,1|1,0,1]=4 5014 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [1,0,0,0,0,1|1,0,1]=4 5015 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,0,0,0,0,1|1,0,1]=4 5016 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [1,0,0,0,0,1|1,0,1]=4 5017 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,0,0,1|2,0,0]=4 5018 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,0,0,1|2,0,0]=4 5019 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,0,0,1|2,0,0]=4 5020 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,0,0,1|2,0,0]=4 5021 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,0,0,1|2,0,0]=4 5022 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,0,0,0,0,1|2,0,0]=4 5023 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,0,0,0,0,1|2,0,0]=4 5024 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,0,0,0,0,1|2,0,0]=4 5025 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,0,0,0,0,1|2,0,0]=4 5026 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,0,0,0,0,1|2,0,0]=4 5027 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [1,0,0,0,0,1|2,0,0]=4 5028 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [1,0,0,0,0,1|2,0,0]=4 5029 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,0,0,1|2,0,0]=4 5030 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,0,0,1|2,0,0]=4 5031 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,0,0,1|2,0,0]=4 5032 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,0,0,0,0,1|2,0,0]=4 5033 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,0,0,0,0,1|2,0,0]=4 5034 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [1,0,0,0,0,1|2,0,0]=4 5035 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [1,0,0,0,0,1|2,0,0]=4 5036 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,0,0,1|2,0,0]=4 5037 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,0,0,1|2,0,0]=4 5038 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [1,0,0,0,0,1|2,0,0]=4 5039 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [1,0,0,0,0,1|2,0,0]=4 5040 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [1,0,0,0,0,1|2,0,0]=4 5041 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [1,0,0,0,0,1|2,0,0]=4 5042 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [1,0,0,0,0,1|2,0,0]=4 5043 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [1,0,0,0,0,1|2,0,0]=4 5044 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,1|2,0,0]=4 5045 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,1|2,0,0]=4 5046 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,1|2,0,0]=4 5047 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,0,0,0,0,1|2,0,0]=4 5048 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,0,0,0,0,1|2,0,0]=4 5049 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,0,0,0,0,1|2,0,0]=4 5050 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,1|2,0,0]=4 5051 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,1|2,0,0]=4 5052 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,0,0,0,0,1|2,0,0]=4 5053 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,0,0,0,0,1|2,0,0]=4 5054 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [1,0,0,0,0,1|2,0,0]=4 5055 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [1,0,0,0,0,1|2,0,0]=4 5056 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [1,0,0,0,0,1|2,0,0]=4 5057 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [1,0,0,0,0,1|2,0,0]=4 5058 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [1,0,0,0,0,1|2,0,0]=4 5059 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [1,0,0,0,0,1|2,0,0]=4 5060 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [1,0,0,0,0,1|2,0,0]=4 5061 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [1,0,0,0,0,1|2,0,0]=4 5062 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [1,0,0,0,0,1|2,0,0]=4 5063 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [1,0,0,0,0,1|2,0,0]=4 5064 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [1,0,0,0,0,1|2,0,0]=4 5065 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [1,0,0,0,0,1|2,0,0]=4 5066 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,0,0,1|2,0,0]=4 5067 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,0,0,1|2,0,0]=4 5068 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,0,0,0,0,1|2,0,0]=4 5069 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,0,0,1|2,0,0]=4 5070 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,0,0,1|2,0,0]=4 5071 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,0,0,0,0,1|2,0,0]=4 5072 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,0,0,0,0,1|2,0,0]=4 5073 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [1,0,0,0,0,1|2,0,0]=4 5074 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [1,0,0,0,0,1|2,0,0]=4 5075 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,0,0,1|2,0,0]=4 5076 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,0,0,1|2,0,0]=4 5077 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [1,0,0,0,0,1|2,0,0]=4 5078 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [1,0,0,0,0,1|2,0,0]=4 5079 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [1,0,0,0,0,1|2,0,0]=4 5080 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [1,0,0,0,0,1|2,0,0]=4 5081 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [1,0,0,0,0,1|2,0,0]=4 5082 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [1,0,0,0,0,1|2,0,0]=4 5083 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,0,0,0,0,2|2,0,0]=4 5084 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,0,0,0,0,2|2,0,0]=4 5085 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,0,0,0,0,2|2,0,0]=4 5086 B12R1.252 C=C(C)CCOc1cccnc1 34a_100000210849_100000730704 [0,0,0,0,0,2|2,0,0]=4 5087 B12R1.252 C=C(C)CCOc1cccnc1 7a_100000210849_100000730704 [0,0,0,0,0,2|2,0,0]=4 5088 B12R1.252 C=C(C)CCOc1ccncc1 34a_100000212176_100000730704 [0,0,0,0,0,2|2,0,0]=4 5089 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,0,0,0,0,2|2,0,0]=4 5090 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,0,0,0,0,2|2,0,0]=4 5091 B12R1.252 C=C(C)CCSc1ccccn1 62a_100000730704_100011216584 [0,0,0,0,0,2|2,0,0]=4 5092 B12R1.252 C=C(C)CCSc1ccccn1 62a_100011216584_100000730704 [0,0,0,0,0,2|2,0,0]=4 5093 B12R1.252 C=C(C)CCSc1cccnc1 62a_100000210063_100000730704 [0,0,0,0,0,2|2,0,0]=4 5094 B12R1.252 C=C(C)CCSc1cccnc1 62a_100000730704_100000210063 [0,0,0,0,0,2|2,0,0]=4 5095 B12R1.252 C=C(C)CCSc1cccnn1 62a_100000730704_100016991348 [0,0,0,0,0,2|2,0,0]=4 5096 B12R1.252 C=C(C)CCSc1cccnn1 62a_100016991348_100000730704 [0,0,0,0,0,2|2,0,0]=4 5097 B12R1.252 C=C(C)CCSc1ccncc1 62a_100000728582_100000730704 [0,0,0,0,0,2|2,0,0]=4 5098 B12R1.252 C=C(C)CCSc1ccncc1 62a_100000730704_100000728582 [0,0,0,0,0,2|2,0,0]=4 5099 B12R1.252 C=C(C)CCSc1ccncn1 62a_100000703185_100000730704 [0,0,0,0,0,2|2,0,0]=4 5100 B12R1.252 C=C(C)CCSc1ccncn1 62a_100000730704_100000703185 [0,0,0,0,0,2|2,0,0]=4 5101 B12R1.252 C=C(C)CCSc1cnccn1 62a_100000211759_100000730704 [0,0,0,0,0,2|2,0,0]=4 5102 B12R1.252 C=C(C)CCSc1cnccn1 62a_100000730704_100000211759 [0,0,0,0,0,2|2,0,0]=4 5103 B12R1.252 C=C(C)CCSc1ncccn1 62a_100000211032_100000730704 [0,0,0,0,0,2|2,0,0]=4 5104 B12R1.252 C=C(C)CCSc1ncccn1 62a_100000730704_100000211032 [0,0,0,0,0,2|2,0,0]=4 5105 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,0,0,0,0,2|2,0,0]=4 5106 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,0,0,0,0,2|2,0,0]=4 5107 B12R1.252 C=C(C)CNCc1cccnn1 2230a_100159270163_100000748629 [0,0,0,0,0,2|2,0,0]=4 5108 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,0,0,0,0,2|2,0,0]=4 5109 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,0,0,0,0,2|2,0,0]=4 5110 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,0,0,0,0,2|2,0,0]=4 5111 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,0,0,0,0,2|2,0,0]=4 5112 B12R1.252 C=C(C)COCc1cccnc1 34a_100000210245_100000733263 [0,0,0,0,0,2|2,0,0]=4 5113 B12R1.252 C=C(C)COCc1cccnn1 34a_100000210245_100016990269 [0,0,0,0,0,2|2,0,0]=4 5114 B12R1.252 C=C(C)COCc1cnccn1 34a_100000210245_100016995436 [0,0,0,0,0,2|2,0,0]=4 5115 B12R1.252 C=C(C)COCc1ncccn1 34a_100000210245_100000703007 [0,0,0,0,0,2|2,0,0]=4 5116 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,0,0,0,0,2|2,0,0]=4 5117 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,0,0,0,0,2|2,0,0]=4 5118 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000721315_100000211660 [0,0,0,0,0,2|2,0,0]=4 5119 B12R1.252 C=C(C)CSCc1ccccn1 62a_100000748629_100000721315 [0,0,0,0,0,2|2,0,0]=4 5120 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000741622_100000211660 [0,0,0,0,0,2|2,0,0]=4 5121 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000748629_100000741622 [0,0,0,0,0,2|2,0,0]=4 5122 B12R1.252 C=C(C)CSCc1cccnn1 62a_100000748629_100016990269 [0,0,0,0,0,2|2,0,0]=4 5123 B12R1.252 C=C(C)CSCc1cccnn1 62a_100016990269_100000211660 [0,0,0,0,0,2|2,0,0]=4 5124 B12R1.252 C=C(C)CSCc1ccncc1 62a_100000748629_100015193705 [0,0,0,0,0,2|2,0,0]=4 5125 B12R1.252 C=C(C)CSCc1ccncc1 62a_100015193705_100000211660 [0,0,0,0,0,2|2,0,0]=4 5126 B12R1.252 C=C(C)CSCc1cnccn1 62a_100000748629_100016995436 [0,0,0,0,0,2|2,0,0]=4 5127 B12R1.252 C=C(C)CSCc1cnccn1 62a_100016995436_100000211660 [0,0,0,0,0,2|2,0,0]=4 5128 B12R1.252 C=C(C)CSCc1ncccn1 62a_100000703007_100000211660 [0,0,0,0,0,2|2,0,0]=4 5129 B12R1.252 C=C(C)CSCc1ncccn1 62a_100000748629_100000703007 [0,0,0,0,0,2|2,0,0]=4 5130 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,0,0,0,0,2|1,0,1]=4 5131 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,0,0,0,0,2|1,0,1]=4 5132 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,0,0,0,0,2|1,0,1]=4 5133 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,2|1,0,0]=3 5134 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,2|1,0,0]=3 5135 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,2|1,0,0]=3 5136 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,0,0,0,0,2|1,0,0]=3 5137 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,0,0,0,0,2|1,0,0]=3 5138 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,0,0,0,0,2|1,0,0]=3 5139 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,0,0,0,0,2|1,0,0]=3 5140 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,0,0,0,0,2|1,0,0]=3 5141 B12R1.252 CC(=O)CCOc1cncnc1 7a_100000754086_100000053229 [0,0,0,0,0,2|2,0,0]=4 5142 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,0,0,0,0,2|1,0,0]=3 5143 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,0,0,0,0,2|1,0,0]=3 5144 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,0,0,0,0,2|1,0,0]=3 5145 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,0,0,0,0,2|1,0,0]=3 5146 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,2|1,0,0]=3 5147 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,2|1,0,0]=3 5148 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [0,0,0,0,0,2|1,0,0]=3 5149 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [0,0,0,0,0,2|1,0,0]=3 5150 B12R1.252 CC(=O)CCSc1cccnn1 62a_100000053229_100016991348 [0,0,0,0,0,2|1,0,0]=3 5151 B12R1.252 CC(=O)CCSc1cccnn1 62a_100016991348_100000053229 [0,0,0,0,0,2|1,0,0]=3 5152 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [0,0,0,0,0,2|1,0,0]=3 5153 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [0,0,0,0,0,2|1,0,0]=3 5154 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000053229_100000703185 [0,0,0,0,0,2|1,0,0]=3 5155 B12R1.252 CC(=O)CCSc1ccncn1 62a_100000703185_100000053229 [0,0,0,0,0,2|1,0,0]=3 5156 B12R1.252 CC(=O)CCSc1ccnnc1 62a_100000053229_100000732662 [0,0,0,0,0,2|2,0,0]=4 5157 B12R1.252 CC(=O)CCSc1ccnnc1 62a_100000732662_100000053229 [0,0,0,0,0,2|2,0,0]=4 5158 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000053229_100000211759 [0,0,0,0,0,2|1,0,0]=3 5159 B12R1.252 CC(=O)CCSc1cnccn1 62a_100000211759_100000053229 [0,0,0,0,0,2|1,0,0]=3 5160 B12R1.252 CC(=O)CCSc1cncnc1 62a_100000053229_100011206942 [0,0,0,0,0,2|2,0,0]=4 5161 B12R1.252 CC(=O)CCSc1cncnc1 62a_100011206942_100000053229 [0,0,0,0,0,2|2,0,0]=4 5162 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000053229_100000211032 [0,0,0,0,0,2|1,0,0]=3 5163 B12R1.252 CC(=O)CCSc1ncccn1 62a_100000211032_100000053229 [0,0,0,0,0,2|1,0,0]=3 5164 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,2|1,0,0]=3 5165 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,2|1,0,0]=3 5166 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,2|1,0,0]=3 5167 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,0,0,0,0,2|1,0,0]=3 5168 B12R1.252 CC(=O)COCc1cccnn1 34a_100000211253_100016990269 [0,0,0,0,0,2|1,0,0]=3 5169 B12R1.252 CC(=O)COCc1cnccn1 34a_100000211253_100016995436 [0,0,0,0,0,2|1,0,0]=3 5170 B12R1.252 CC(=O)COCc1cncnc1 34a_100000211253_100015196519 [0,0,0,0,0,2|2,0,0]=4 5171 B12R1.252 CC(=O)COCc1ncccn1 34a_100000211253_100000703007 [0,0,0,0,0,2|1,0,0]=3 5172 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,0,0,0,2|1,0,0]=3 5173 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,0,0,0,2|1,0,0]=3 5174 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,2|1,0,0]=3 5175 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,2|1,0,0]=3 5176 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,2|1,0,0]=3 5177 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,2|1,0,0]=3 5178 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,2|1,0,0]=3 5179 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,2|1,0,0]=3 5180 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,2|1,0,0]=3 5181 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,2|1,0,0]=3 5182 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,2|1,0,0]=3 5183 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,0,0,0,0,2|1,0,0]=3 5184 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,0,0,0,0,2|1,0,0]=3 5185 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,0,0,0,0,2|1,0,0]=3 5186 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,0,0,0,0,2|1,0,0]=3 5187 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,0,0,0,0,2|1,0,0]=3 5188 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,0,0,0,0,2|1,0,0]=3 5189 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,0,0,0,0,2|1,0,0]=3 5190 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,0,0,0,0,2|1,0,0]=3 5191 B12R1.252 CC(=O)NCCc1cnccn1 11a_100000723456_100015343762 [0,0,0,0,0,2|1,0,0]=3 5192 B12R1.252 CC(=O)NCCc1cnccn1 1626a_100000723456_100015343762 [0,0,0,0,0,2|1,0,0]=3 5193 B12R1.252 CC(=O)NCCc1cnccn1 240690a_100000723456_100015343762 [0,0,0,0,0,2|1,0,0]=3 5194 B12R1.252 CC(=O)NCCc1cnccn1 527a_100000723456_100103153847 [0,0,0,0,0,2|1,0,0]=3 5195 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,0,0,0,0,2|2,0,0]=4 5196 B12R1.252 CC(=O)NNCc1ccccn1 22a_100000736832_100000070787 [0,0,0,0,0,2|2,0,0]=4 5197 B12R1.252 CC(=O)NNCc1cccnc1 22a_100000738295_100000070787 [0,0,0,0,0,2|2,0,0]=4 5198 B12R1.252 CC(=O)NNCc1ccncc1 22a_100000736929_100000070787 [0,0,0,0,0,2|2,0,0]=4 5199 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,0,0,0,0,2|2,0,0]=4 5200 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,0,0,0,0,2|2,0,0]=4 5201 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [0,0,0,0,0,2|2,0,0]=4 5202 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [0,0,0,0,0,2|2,0,0]=4 5203 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,0,0,0,0,2|2,0,0]=4 5204 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,0,0,0,0,2|2,0,0]=4 5205 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [0,0,0,0,0,2|2,0,0]=4 5206 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [0,0,0,0,0,2|2,0,0]=4 5207 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000076356_100000210063 [0,0,0,0,0,2|2,0,0]=4 5208 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000210063_100000076356 [0,0,0,0,0,2|2,0,0]=4 5209 B12R1.252 CC(=O)OCSc1cccnn1 62a_100000076356_100016991348 [0,0,0,0,0,2|2,0,0]=4 5210 B12R1.252 CC(=O)OCSc1cccnn1 62a_100016991348_100000076356 [0,0,0,0,0,2|2,0,0]=4 5211 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000076356_100000728582 [0,0,0,0,0,2|2,0,0]=4 5212 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000728582_100000076356 [0,0,0,0,0,2|2,0,0]=4 5213 B12R1.252 CC(=O)OCSc1ccncn1 62a_100000076356_100000703185 [0,0,0,0,0,2|2,0,0]=4 5214 B12R1.252 CC(=O)OCSc1ccncn1 62a_100000703185_100000076356 [0,0,0,0,0,2|2,0,0]=4 5215 B12R1.252 CC(=O)OCSc1cnccn1 62a_100000076356_100000211759 [0,0,0,0,0,2|2,0,0]=4 5216 B12R1.252 CC(=O)OCSc1cnccn1 62a_100000211759_100000076356 [0,0,0,0,0,2|2,0,0]=4 5217 B12R1.252 CC(=O)OCSc1ncccn1 62a_100000076356_100000211032 [0,0,0,0,0,2|2,0,0]=4 5218 B12R1.252 CC(=O)OCSc1ncccn1 62a_100000211032_100000076356 [0,0,0,0,0,2|2,0,0]=4 5219 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,0,0,0,2|2,0,0]=4 5220 B12R1.252 NC(=O)CCNc1cccnn1 27a_100000740010_100016991348 [0,0,0,0,0,2|2,0,0]=4 5221 B12R1.252 NC(=O)CCNc1ccncn1 27a_100000740010_100000703185 [0,0,0,0,0,2|2,0,0]=4 5222 B12R1.252 NC(=O)CCNc1cnccn1 27a_100000740010_100000211759 [0,0,0,0,0,2|2,0,0]=4 5223 B12R1.252 NC(=O)CCNc1ncccn1 27a_100000740010_100000211032 [0,0,0,0,0,2|2,0,0]=4 5224 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,0,0,0,0,2|2,0,0]=4 5225 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,0,0,0,0,2|2,0,0]=4 5226 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,0,0,0,0,2|2,0,0]=4 5227 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,0,0,0,0,2|2,0,0]=4 5228 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [0,0,0,0,0,2|2,0,0]=4 5229 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,0,0,0,0,2|2,0,0]=4 5230 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,0,0,0,0,2|2,0,0]=4 5231 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [0,0,0,0,0,2|2,0,0]=4 5232 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [0,0,0,0,0,2|2,0,0]=4 5233 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [0,0,0,0,0,2|2,0,0]=4 5234 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [0,0,0,0,0,2|2,0,0]=4 5235 B12R1.252 NC(=O)CCSc1cccnn1 62a_100000744528_100016991348 [0,0,0,0,0,2|2,0,0]=4 5236 B12R1.252 NC(=O)CCSc1cccnn1 62a_100016991348_100000744528 [0,0,0,0,0,2|2,0,0]=4 5237 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000728582_100000744528 [0,0,0,0,0,2|2,0,0]=4 5238 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000744528_100000728582 [0,0,0,0,0,2|2,0,0]=4 5239 B12R1.252 NC(=O)CCSc1ccncn1 62a_100000703185_100000744528 [0,0,0,0,0,2|2,0,0]=4 5240 B12R1.252 NC(=O)CCSc1ccncn1 62a_100000744528_100000703185 [0,0,0,0,0,2|2,0,0]=4 5241 B12R1.252 NC(=O)CCSc1cnccn1 62a_100000211759_100000744528 [0,0,0,0,0,2|2,0,0]=4 5242 B12R1.252 NC(=O)CCSc1cnccn1 62a_100000744528_100000211759 [0,0,0,0,0,2|2,0,0]=4 5243 B12R1.252 NC(=O)CCSc1ncccn1 62a_100000211032_100000744528 [0,0,0,0,0,2|2,0,0]=4 5244 B12R1.252 NC(=O)CCSc1ncccn1 62a_100000744528_100000211032 [0,0,0,0,0,2|2,0,0]=4 5245 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,0,0,0,2|2,0,0]=4 5246 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,0,0,0,2|2,0,0]=4 5247 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,0,0,0,2|2,0,0]=4 5248 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,0,0,0,0,2|2,0,0]=4 5249 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [0,0,0,0,0,2|2,0,0]=4 5250 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100000711301_100016990269 [0,0,0,0,0,2|2,0,0]=4 5251 B12R1.252 NC(=O)CNCc1cccnn1 2230a_100159270163_100000747473 [0,0,0,0,0,2|2,0,0]=4 5252 B12R1.252 NC(=O)CNCc1ccncc1 2230a_100000711301_100015193705 [0,0,0,0,0,2|2,0,0]=4 5253 B12R1.252 NC(=O)CNCc1cnccn1 2230a_100000711301_100016995436 [0,0,0,0,0,2|2,0,0]=4 5254 B12R1.252 NC(=O)CNCc1ncccn1 2230a_100000711301_100000703007 [0,0,0,0,0,2|2,0,0]=4 5255 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,2|2,0,0]=4 5256 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,2|2,0,0]=4 5257 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,0,0,0,2|2,0,0]=4 5258 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,0,0,0,2|2,0,0]=4 5259 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,0,0,0,0,2|2,0,0]=4 5260 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,0,0,0,0,2|2,0,0]=4 5261 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [0,0,0,0,0,2|2,0,0]=4 5262 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [0,0,0,0,0,2|2,0,0]=4 5263 B12R1.252 NC(=O)CSCc1cccnn1 62a_100000747473_100016990269 [0,0,0,0,0,2|2,0,0]=4 5264 B12R1.252 NC(=O)CSCc1cccnn1 62a_100016990269_100000747473 [0,0,0,0,0,2|2,0,0]=4 5265 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [0,0,0,0,0,2|2,0,0]=4 5266 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [0,0,0,0,0,2|2,0,0]=4 5267 B12R1.252 NC(=O)CSCc1cnccn1 62a_100000747473_100016995436 [0,0,0,0,0,2|2,0,0]=4 5268 B12R1.252 NC(=O)CSCc1cnccn1 62a_100016995436_100000747473 [0,0,0,0,0,2|2,0,0]=4 5269 B12R1.252 NC(=O)CSCc1ncccn1 62a_100000703007_100000747473 [0,0,0,0,0,2|2,0,0]=4 5270 B12R1.252 NC(=O)CSCc1ncccn1 62a_100000747473_100000703007 [0,0,0,0,0,2|2,0,0]=4 5271 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,0,0,0,2|2,0,0]=4 5272 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,0,0,0,0,2|2,0,0]=4 5273 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,0,0,0,0,2|2,0,0]=4 5274 B12R1.252 O=C(O)CNCc1cccnn1 269956a_100016091260_100016990269 [0,0,0,0,0,2|2,0,0]=4 5275 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,0,0,0,0,2|2,0,0]=4 5276 B12R1.252 O=C(O)CNCc1cnccn1 269956a_100016091260_100016995436 [0,0,0,0,0,2|2,0,0]=4 5277 B12R1.252 O=C(O)CNCc1ncccn1 269956a_100016091260_100000703007 [0,0,0,0,0,2|2,0,0]=4 5278 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,0,0,0,0,2|2,0,0]=4 5279 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,2|2,0,0]=4 5280 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,0,0,0,0,2|2,0,0]=4 5281 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,0,0,0,0,2|2,0,0]=4 5282 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [0,0,0,0,0,2|2,0,0]=4 5283 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [0,0,0,0,0,2|2,0,0]=4 5284 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100000741622_100020667443 [0,0,0,0,0,2|2,0,0]=4 5285 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100020667443_100000741622 [0,0,0,0,0,2|2,0,0]=4 5286 B12R1.252 O=C([O-])CSCc1cccnn1 62a_100016990269_100020667443 [0,0,0,0,0,2|2,0,0]=4 5287 B12R1.252 O=C([O-])CSCc1cccnn1 62a_100020667443_100016990269 [0,0,0,0,0,2|2,0,0]=4 5288 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100015193705_100020667443 [0,0,0,0,0,2|2,0,0]=4 5289 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100020667443_100015193705 [0,0,0,0,0,2|2,0,0]=4 5290 B12R1.252 O=C([O-])CSCc1cnccn1 62a_100016995436_100020667443 [0,0,0,0,0,2|2,0,0]=4 5291 B12R1.252 O=C([O-])CSCc1cnccn1 62a_100020667443_100016995436 [0,0,0,0,0,2|2,0,0]=4 5292 B12R1.252 O=C([O-])CSCc1ncccn1 62a_100000703007_100020667443 [0,0,0,0,0,2|2,0,0]=4 5293 B12R1.252 O=C([O-])CSCc1ncccn1 62a_100020667443_100000703007 [0,0,0,0,0,2|2,0,0]=4 5294 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,0,0,0,0,2|1,0,1]=4 5295 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,2|1,0,0]=3 5296 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,2|1,0,0]=3 5297 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,0,0,0,0,2|1,0,0]=3 5298 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,0,0,0,0,2|1,0,0]=3 5299 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,0,0,0,0,2|1,0,0]=3 5300 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,2|1,0,0]=3 5301 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,0,0,0,2|1,0,0]=3 5302 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,2|1,0,0]=3 5303 B12R1.255 C=C(C)CCNCc1ccco1 2230a_100000185738_100000730704 [0,0,0,0,0,2|1,0,0]=3 5304 B12R1.255 C=C(C)CCNCc1ccco1 34a_100000185738_100000730704 [0,0,0,0,0,2|1,0,0]=3 5305 B12R1.255 C=C(C)CCNCc1cccs1 2230a_100000211653_100000730704 [0,0,0,0,0,2|1,1,0]=4 5306 B12R1.255 C=C(C)CCNCc1ncco1 2230a_100016994969_100000730704 [0,0,0,0,0,2|2,0,0]=4 5307 B12R1.255 C=C(C)CCOCc1ccco1 34a_100000210059_100000730704 [0,0,0,0,0,2|1,0,0]=3 5308 B12R1.255 C=C(C)CCOCc1cccs1 34a_100000211240_100000730704 [0,0,0,0,0,2|1,1,0]=4 5309 B12R1.255 C=C(C)CCOCc1ccno1 34a_100000740478_100000730704 [0,0,0,0,0,2|2,0,0]=4 5310 B12R1.255 C=C(C)CCOCc1ncco1 34a_100000062594_100000730704 [0,0,0,0,0,2|2,0,0]=4 5311 B12R1.255 C=C(C)CCOCc1ncco1 34a_100000764851_103436540062 [0,0,0,0,0,2|2,0,0]=4 5312 B12R1.255 C=C(C)CCSCc1ncco1 62a_100000730704_103436540062 [0,0,0,0,0,2|2,0,0]=4 5313 B12R1.255 C=C(C)CCSCc1ncco1 62a_103436540062_100000730704 [0,0,0,0,0,2|2,0,0]=4 5314 B12R1.255 C=C(C)CNCCc1ccco1 2230a_100000694680_100000748629 [0,0,0,0,0,2|1,0,0]=3 5315 B12R1.255 C=C(C)CNCCc1ccco1 34a_100000694680_100000748629 [0,0,0,0,0,2|1,0,0]=3 5316 B12R1.255 C=C(C)CNCCc1cccs1 2230a_100000203755_100000748629 [0,0,0,0,0,2|1,1,0]=4 5317 B12R1.255 C=C(C)CNCCc1cccs1 34a_100000203755_100000748629 [0,0,0,0,0,2|1,1,0]=4 5318 B12R1.255 C=C(C)COCCc1cccs1 34a_100000210245_100000748579 [0,0,0,0,0,2|1,1,0]=4 5319 B12R1.255 C=C(C)COCCc1cccs1 34a_100011216825_100000748629 [0,0,0,0,0,2|1,1,0]=4 5320 B12R1.255 C=C(C)COCCc1cccs1 7a_100011216825_100000748629 [0,0,0,0,0,2|1,1,0]=4 5321 B12R1.255 C=C(C)CSCCc1cccs1 62a_100000748579_100000211660 [0,0,0,0,0,2|1,1,0]=4 5322 B12R1.255 C=C(C)CSCCc1cccs1 62a_100000748629_100000748579 [0,0,0,0,0,2|1,1,0]=4 5323 B12R1.255 C=C(F)CNCCc1ccco1 2230a_100000694680_100009893438 [0,0,0,0,0,2|1,0,1]=4 5324 B12R1.255 C=C(F)CNCCc1ccco1 34a_100000694680_100009893438 [0,0,0,0,0,2|1,0,1]=4 5325 B12R1.255 CC(=CCCSc1ccco1)C 62a_100009814098_100011217483 [0,0,0,0,0,2|1,0,0]=3 5326 B12R1.255 CC(=CCCSc1ccco1)C 62a_100011217483_100009814098 [0,0,0,0,0,2|1,0,0]=3 5327 B12R1.255 CC(=CCCSc1cccs1)C 62a_100011215356_100011217483 [0,0,0,0,0,2|1,1,0]=4 5328 B12R1.255 CC(=CCCSc1cccs1)C 62a_100011217483_100011215356 [0,0,0,0,0,2|1,1,0]=4 5329 B12R1.255 CC(=CCCSc1cnco1)C 62a_100011217483_100020591547 [0,0,0,0,0,2|2,0,0]=4 5330 B12R1.255 CC(=CCCSc1cnco1)C 62a_100020591547_100011217483 [0,0,0,0,0,2|2,0,0]=4 5331 B12R1.255 CC(=CCCSc1ncco1)C 62a_100011217483_100011787736 [0,0,0,0,0,2|2,0,0]=4 5332 B12R1.255 CC(=CCCSc1ncco1)C 62a_100011787736_100011217483 [0,0,0,0,0,2|2,0,0]=4 5333 B12R1.255 CC(=CCNCc1ccco1)C 2230a_100000185738_100000761012 [0,0,0,0,0,2|1,0,0]=3 5334 B12R1.255 CC(=CCNCc1ccco1)C 270004a_100000718196_100000186105 [0,0,0,0,0,2|1,0,0]=3 5335 B12R1.255 CC(=CCNCc1ccco1)C 34a_100000185738_100000761012 [0,0,0,0,0,2|1,0,0]=3 5336 B12R1.255 CC(=CCNCc1cccs1)C 2230a_100000211653_100000761012 [0,0,0,0,0,2|1,1,0]=4 5337 B12R1.255 CC(=CCNCc1cccs1)C 270004a_100000718196_100000209959 [0,0,0,0,0,2|1,1,0]=4 5338 B12R1.255 CC(=CCNCc1cnco1)C 270004a_100000718196_100000064291 [0,0,0,0,0,2|2,0,0]=4 5339 B12R1.255 CC(=CCNCc1ncco1)C 2230a_100016994969_100000761012 [0,0,0,0,0,2|2,0,0]=4 5340 B12R1.255 CC(=CCNCc1ncco1)C 270004a_100000718196_100000064290 [0,0,0,0,0,2|2,0,0]=4 5341 B12R1.255 CC(=CCNCc1ncco1)C 34a_100000718196_103436540062 [0,0,0,0,0,2|2,0,0]=4 5342 B12R1.255 CC(=CCOCc1ccco1)C 34a_100000210059_100000761012 [0,0,0,0,0,2|1,0,0]=3 5343 B12R1.255 CC(=CCOCc1cccs1)C 34a_100000211240_100000761012 [0,0,0,0,0,2|1,1,0]=4 5344 B12R1.255 CC(=CCOCc1ccno1)C 34a_100000740478_100000761012 [0,0,0,0,0,2|2,0,0]=4 5345 B12R1.255 CC(=CCOCc1ncco1)C 34a_100000062594_100000761012 [0,0,0,0,0,2|2,0,0]=4 5346 B12R1.255 CC(=CCOCc1ncco1)C 34a_100000753907_103436540062 [0,0,0,0,0,2|2,0,0]=4 5347 B12R1.255 CC(=CCSCc1ncco1)C 62a_100000761012_103436540062 [0,0,0,0,0,2|2,0,0]=4 5348 B12R1.255 CC(=CCSCc1ncco1)C 62a_103436540062_100000761012 [0,0,0,0,0,2|2,0,0]=4 5349 B12R1.255 CC(=O)CCCCc1cccs1 1458a_100011216592_200000210301 [0,0,0,0,0,2|0,1,0]=3 5350 B12R1.255 CC(=O)CCCOc1ccsc1 34a_100000106738_100000685027 [0,0,0,0,0,2|2,0,0]=4 5351 B12R1.255 CC(=O)CCCOc1ccsc1 7a_100000106738_100011215641 [0,0,0,0,0,2|2,0,0]=4 5352 B12R1.255 CC(=O)CCCSc1c[nH]cn1 62a_100000756875_100011215641 [0,0,0,0,0,2|2,0,0]=4 5353 B12R1.255 CC(=O)CCCSc1c[nH]cn1 62a_100011215641_100000756875 [0,0,0,0,0,2|2,0,0]=4 5354 B12R1.255 CC(=O)CCCSc1cc[nH]n1 62a_100000062575_100011215641 [0,0,0,0,0,2|2,0,0]=4 5355 B12R1.255 CC(=O)CCCSc1cc[nH]n1 62a_100011215641_100000062575 [0,0,0,0,0,2|2,0,0]=4 5356 B12R1.255 CC(=O)CCCSc1ccco1 62a_100009814098_100011215641 [0,0,0,0,0,2|0,0,0]=2 5357 B12R1.255 CC(=O)CCCSc1ccco1 62a_100011215641_100009814098 [0,0,0,0,0,2|0,0,0]=2 5358 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215356_100011215641 [0,0,0,0,0,2|0,1,0]=3 5359 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215641_100011215356 [0,0,0,0,0,2|0,1,0]=3 5360 B12R1.255 CC(=O)CCCSc1ccoc1 62a_100011215275_100011215641 [0,0,0,0,0,2|2,0,0]=4 5361 B12R1.255 CC(=O)CCCSc1ccoc1 62a_100011215641_100011215275 [0,0,0,0,0,2|2,0,0]=4 5362 B12R1.255 CC(=O)CCCSc1ccon1 62a_100009818083_100011215641 [0,0,0,0,0,2|2,0,0]=4 5363 B12R1.255 CC(=O)CCCSc1ccon1 62a_100011215641_100009818083 [0,0,0,0,0,2|2,0,0]=4 5364 B12R1.255 CC(=O)CCCSc1ccsc1 62a_100000738268_100011215641 [0,0,0,0,0,2|2,0,0]=4 5365 B12R1.255 CC(=O)CCCSc1ccsc1 62a_100011215641_100000738268 [0,0,0,0,0,2|2,0,0]=4 5366 B12R1.255 CC(=O)CCCSc1ccsn1 62a_100009818082_100011215641 [0,0,0,0,0,2|2,0,0]=4 5367 B12R1.255 CC(=O)CCCSc1ccsn1 62a_100011215641_100009818082 [0,0,0,0,0,2|2,0,0]=4 5368 B12R1.255 CC(=O)CCCSc1cnco1 62a_100011215641_100020591547 [0,0,0,0,0,2|1,0,0]=3 5369 B12R1.255 CC(=O)CCCSc1cnco1 62a_100020591547_100011215641 [0,0,0,0,0,2|1,0,0]=3 5370 B12R1.255 CC(=O)CCCSc1cncs1 62a_100011215641_100011934649 [0,0,0,0,0,2|1,1,0]=4 5371 B12R1.255 CC(=O)CCCSc1cncs1 62a_100011934649_100011215641 [0,0,0,0,0,2|1,1,0]=4 5372 B12R1.255 CC(=O)CCCSc1cscn1 62a_100000751502_100011215641 [0,0,0,0,0,2|2,0,0]=4 5373 B12R1.255 CC(=O)CCCSc1cscn1 62a_100011215641_100000751502 [0,0,0,0,0,2|2,0,0]=4 5374 B12R1.255 CC(=O)CCCSc1ncc[nH]1 62a_100011215641_100025796157 [0,0,0,0,0,2|2,0,0]=4 5375 B12R1.255 CC(=O)CCCSc1ncc[nH]1 62a_100025796157_100011215641 [0,0,0,0,0,2|2,0,0]=4 5376 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011215641_100011787736 [0,0,0,0,0,2|1,0,0]=3 5377 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011787736_100011215641 [0,0,0,0,0,2|1,0,0]=3 5378 B12R1.255 CC(=O)CCCSc1nccs1 62a_100000211983_100011215641 [0,0,0,0,0,2|1,1,0]=4 5379 B12R1.255 CC(=O)CCCSc1nccs1 62a_100011215641_100000211983 [0,0,0,0,0,2|1,1,0]=4 5380 B12R1.255 CC(=O)CCOCc1c[nH]cn1 34a_100000759926_100000707719 [0,0,0,0,0,2|2,0,0]=4 5381 B12R1.255 CC(=O)CCOCc1ccn[nH]1 34a_100000759926_100000728653 [0,0,0,0,0,2|2,0,0]=4 5382 B12R1.255 CC(=O)CCOCc1ccn[nH]1 7a_100000759926_100000728653 [0,0,0,0,0,2|2,0,0]=4 5383 B12R1.255 CC(=O)CCOCc1ccon1 34a_100000759926_100000234950 [0,0,0,0,0,2|2,0,0]=4 5384 B12R1.255 CC(=O)CCOCc1ccon1 7a_100000759926_100000234950 [0,0,0,0,0,2|2,0,0]=4 5385 B12R1.255 CC(=O)CCOCc1ccsc1 34a_100000759926_100011261437 [0,0,0,0,0,2|2,0,0]=4 5386 B12R1.255 CC(=O)CCOCc1ccsc1 7a_100000759926_100011261437 [0,0,0,0,0,2|2,0,0]=4 5387 B12R1.255 CC(=O)CCOCc1cncs1 34a_100000759926_100015185245 [0,0,0,0,0,2|1,1,0]=4 5388 B12R1.255 CC(=O)CCOCc1cncs1 7a_100000759926_100015185245 [0,0,0,0,0,2|1,1,0]=4 5389 B12R1.255 CC(=O)CCOCc1cscn1 34a_100000759926_100000205941 [0,0,0,0,0,2|2,0,0]=4 5390 B12R1.255 CC(=O)CCOCc1cscn1 7a_100000759926_100000205941 [0,0,0,0,0,2|2,0,0]=4 5391 B12R1.255 CC(=O)CCOCc1ncc[nH]1 34a_100000759926_100016991755 [0,0,0,0,0,2|2,0,0]=4 5392 B12R1.255 CC(=O)CCOCc1ncc[nH]1 7a_100000759926_100000753453 [0,0,0,0,0,2|2,0,0]=4 5393 B12R1.255 CC(=O)CCOCc1ncco1 34a_100000759926_103436540062 [0,0,0,0,0,2|1,0,0]=3 5394 B12R1.255 CC(=O)CCOCc1ncco1 7a_100000759926_103436540062 [0,0,0,0,0,2|1,0,0]=3 5395 B12R1.255 CC(=O)CCOCc1nccs1 34a_100000759926_100015184050 [0,0,0,0,0,2|1,1,0]=4 5396 B12R1.255 CC(=O)CCOCc1nccs1 7a_100000759926_100015184050 [0,0,0,0,0,2|1,1,0]=4 5397 B12R1.255 CC(=O)CCSCc1c[nH]cn1 62a_100000053229_100000707719 [0,0,0,0,0,2|2,0,0]=4 5398 B12R1.255 CC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000053229 [0,0,0,0,0,2|2,0,0]=4 5399 B12R1.255 CC(=O)CCSCc1ccn[nH]1 62a_100000053229_100000728653 [0,0,0,0,0,2|2,0,0]=4 5400 B12R1.255 CC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000053229 [0,0,0,0,0,2|2,0,0]=4 5401 B12R1.255 CC(=O)CCSCc1ccon1 62a_100000053229_100000234950 [0,0,0,0,0,2|2,0,0]=4 5402 B12R1.255 CC(=O)CCSCc1ccon1 62a_100000234950_100000053229 [0,0,0,0,0,2|2,0,0]=4 5403 B12R1.255 CC(=O)CCSCc1ccsc1 62a_100000053229_100011233845 [0,0,0,0,0,2|2,0,0]=4 5404 B12R1.255 CC(=O)CCSCc1ccsc1 62a_100011261437_100000053229 [0,0,0,0,0,2|2,0,0]=4 5405 B12R1.255 CC(=O)CCSCc1cncs1 62a_100000053229_100015185245 [0,0,0,0,0,2|1,1,0]=4 5406 B12R1.255 CC(=O)CCSCc1cncs1 62a_100015185245_100000053229 [0,0,0,0,0,2|1,1,0]=4 5407 B12R1.255 CC(=O)CCSCc1cscn1 62a_100000053229_100000205941 [0,0,0,0,0,2|2,0,0]=4 5408 B12R1.255 CC(=O)CCSCc1cscn1 62a_100000205941_100000053229 [0,0,0,0,0,2|2,0,0]=4 5409 B12R1.255 CC(=O)CCSCc1ncc[nH]1 62a_100000053229_100016991755 [0,0,0,0,0,2|2,0,0]=4 5410 B12R1.255 CC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000053229 [0,0,0,0,0,2|2,0,0]=4 5411 B12R1.255 CC(=O)CCSCc1ncco1 62a_100000053229_103436540062 [0,0,0,0,0,2|1,0,0]=3 5412 B12R1.255 CC(=O)CCSCc1ncco1 62a_103436540062_100000053229 [0,0,0,0,0,2|1,0,0]=3 5413 B12R1.255 CC(=O)CCSCc1nccs1 62a_100000053229_100015184050 [0,0,0,0,0,2|1,1,0]=4 5414 B12R1.255 CC(=O)CCSCc1nccs1 62a_100015184050_100000053229 [0,0,0,0,0,2|1,1,0]=4 5415 B12R1.255 CC(=O)COCCc1cccs1 34a_100000211253_100000748579 [0,0,0,0,0,2|0,1,0]=3 5416 B12R1.255 CC(=O)COCCn1cccn1 34a_100000211253_100015204718 [0,0,0,0,0,2|2,0,0]=4 5417 B12R1.255 CC(=O)NCCCn1cccn1 11a_100000737576_100015343762 [0,0,0,0,0,2|2,0,0]=4 5418 B12R1.255 CC(=O)NCCCn1cccn1 240690a_100000737576_100015343762 [0,0,0,0,0,2|2,0,0]=4 5419 B12R1.255 CC(=O)NCCCn1cccn1 527a_100000737576_100103153847 [0,0,0,0,0,2|2,0,0]=4 5420 B12R1.255 CC(=O)NCCOc1ccsc1 7a_100000106738_100000189650 [0,0,0,0,0,2|2,0,0]=4 5421 B12R1.255 CC(=O)NCCSc1c[nH]cn1 62a_100000189650_100000756875 [0,0,0,0,0,2|2,0,0]=4 5422 B12R1.255 CC(=O)NCCSc1c[nH]cn1 62a_100000756875_100000189650 [0,0,0,0,0,2|2,0,0]=4 5423 B12R1.255 CC(=O)NCCSc1cc[nH]n1 62a_100000062575_100000189650 [0,0,0,0,0,2|2,0,0]=4 5424 B12R1.255 CC(=O)NCCSc1cc[nH]n1 62a_100000189650_100000062575 [0,0,0,0,0,2|2,0,0]=4 5425 B12R1.255 CC(=O)NCCSc1ccco1 62a_100000189650_100009814098 [0,0,0,0,0,2|0,0,0]=2 5426 B12R1.255 CC(=O)NCCSc1ccco1 62a_100009814098_100000189650 [0,0,0,0,0,2|0,0,0]=2 5427 B12R1.255 CC(=O)NCCSc1cccs1 62a_100000189650_100011215356 [0,0,0,0,0,2|0,1,0]=3 5428 B12R1.255 CC(=O)NCCSc1cccs1 62a_100011215356_100000189650 [0,0,0,0,0,2|0,1,0]=3 5429 B12R1.255 CC(=O)NCCSc1ccoc1 62a_100000189650_100011215275 [0,0,0,0,0,2|2,0,0]=4 5430 B12R1.255 CC(=O)NCCSc1ccoc1 62a_100011215275_100000189650 [0,0,0,0,0,2|2,0,0]=4 5431 B12R1.255 CC(=O)NCCSc1ccon1 62a_100000189650_100009818083 [0,0,0,0,0,2|2,0,0]=4 5432 B12R1.255 CC(=O)NCCSc1ccon1 62a_100009818083_100000189650 [0,0,0,0,0,2|2,0,0]=4 5433 B12R1.255 CC(=O)NCCSc1ccsc1 62a_100000189650_100000738268 [0,0,0,0,0,2|2,0,0]=4 5434 B12R1.255 CC(=O)NCCSc1ccsc1 62a_100000738268_100000189650 [0,0,0,0,0,2|2,0,0]=4 5435 B12R1.255 CC(=O)NCCSc1ccsn1 62a_100000189650_100009818082 [0,0,0,0,0,2|2,0,0]=4 5436 B12R1.255 CC(=O)NCCSc1ccsn1 62a_100009818082_100000189650 [0,0,0,0,0,2|2,0,0]=4 5437 B12R1.255 CC(=O)NCCSc1cnco1 62a_100000189650_100020591547 [0,0,0,0,0,2|1,0,0]=3 5438 B12R1.255 CC(=O)NCCSc1cnco1 62a_100020591547_100000189650 [0,0,0,0,0,2|1,0,0]=3 5439 B12R1.255 CC(=O)NCCSc1cncs1 62a_100000189650_100011934649 [0,0,0,0,0,2|1,1,0]=4 5440 B12R1.255 CC(=O)NCCSc1cncs1 62a_100011934649_100000189650 [0,0,0,0,0,2|1,1,0]=4 5441 B12R1.255 CC(=O)NCCSc1cscn1 62a_100000189650_100000751502 [0,0,0,0,0,2|2,0,0]=4 5442 B12R1.255 CC(=O)NCCSc1cscn1 62a_100000751502_100000189650 [0,0,0,0,0,2|2,0,0]=4 5443 B12R1.255 CC(=O)NCCSc1ncc[nH]1 62a_100000189650_100025796157 [0,0,0,0,0,2|2,0,0]=4 5444 B12R1.255 CC(=O)NCCSc1ncc[nH]1 62a_100025796157_100000189650 [0,0,0,0,0,2|2,0,0]=4 5445 B12R1.255 CC(=O)NCCSc1ncco1 62a_100000189650_100011787736 [0,0,0,0,0,2|1,0,0]=3 5446 B12R1.255 CC(=O)NCCSc1ncco1 62a_100011787736_100000189650 [0,0,0,0,0,2|1,0,0]=3 5447 B12R1.255 CC(=O)NCCSc1nccs1 62a_100000189650_100000211983 [0,0,0,0,0,2|1,1,0]=4 5448 B12R1.255 CC(=O)NCCSc1nccs1 62a_100000211983_100000189650 [0,0,0,0,0,2|1,1,0]=4 5449 B12R1.255 CC(=O)OCC=Cc1ccco1 271570a_200000047263_100009814098 [0,0,0,0,0,2|0,0,1]=3 5450 B12R1.255 CC(=O)OCC=Cc1cccs1 271570a_200000047263_100011215356 [0,0,0,0,0,2|0,1,1]=4 5451 B12R1.255 CC(=O)OCC=Cc1cnco1 271570a_200000047263_100020591547 [0,0,0,0,0,2|1,0,1]=4 5452 B12R1.255 CC(=O)OCC=Cc1ncco1 271570a_200000047263_100011787736 [0,0,0,0,0,2|1,0,1]=4 5453 B12R1.255 CC(=O)OCCOc1ccsc1 34a_100000106738_100009814007 [0,0,0,0,0,2|2,0,0]=4 5454 B12R1.255 CC(=O)OCCOc1ccsc1 7a_100000106738_100009814007 [0,0,0,0,0,2|2,0,0]=4 5455 B12R1.255 CC(=O)OCCSc1c[nH]cn1 62a_100000756875_100009814007 [0,0,0,0,0,2|2,0,0]=4 5456 B12R1.255 CC(=O)OCCSc1c[nH]cn1 62a_100009814007_100000756875 [0,0,0,0,0,2|2,0,0]=4 5457 B12R1.255 CC(=O)OCCSc1cc[nH]n1 62a_100000062575_100009814007 [0,0,0,0,0,2|2,0,0]=4 5458 B12R1.255 CC(=O)OCCSc1cc[nH]n1 62a_100009814007_100000062575 [0,0,0,0,0,2|2,0,0]=4 5459 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814007_100009814098 [0,0,0,0,0,2|0,0,0]=2 5460 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814098_100009814007 [0,0,0,0,0,2|0,0,0]=2 5461 B12R1.255 CC(=O)OCCSc1cccs1 62a_100009814007_100011215356 [0,0,0,0,0,2|0,1,0]=3 5462 B12R1.255 CC(=O)OCCSc1cccs1 62a_100011215356_100009814007 [0,0,0,0,0,2|0,1,0]=3 5463 B12R1.255 CC(=O)OCCSc1ccoc1 62a_100009814007_100011215275 [0,0,0,0,0,2|2,0,0]=4 5464 B12R1.255 CC(=O)OCCSc1ccoc1 62a_100011215275_100009814007 [0,0,0,0,0,2|2,0,0]=4 5465 B12R1.255 CC(=O)OCCSc1ccon1 62a_100009814007_100009818083 [0,0,0,0,0,2|2,0,0]=4 5466 B12R1.255 CC(=O)OCCSc1ccon1 62a_100009818083_100009814007 [0,0,0,0,0,2|2,0,0]=4 5467 B12R1.255 CC(=O)OCCSc1ccsc1 62a_100000738268_100009814007 [0,0,0,0,0,2|2,0,0]=4 5468 B12R1.255 CC(=O)OCCSc1ccsc1 62a_100009814007_100000738268 [0,0,0,0,0,2|2,0,0]=4 5469 B12R1.255 CC(=O)OCCSc1ccsn1 62a_100009814007_100009818082 [0,0,0,0,0,2|2,0,0]=4 5470 B12R1.255 CC(=O)OCCSc1ccsn1 62a_100009818082_100009814007 [0,0,0,0,0,2|2,0,0]=4 5471 B12R1.255 CC(=O)OCCSc1cnco1 62a_100009814007_100020591547 [0,0,0,0,0,2|1,0,0]=3 5472 B12R1.255 CC(=O)OCCSc1cnco1 62a_100020591547_100009814007 [0,0,0,0,0,2|1,0,0]=3 5473 B12R1.255 CC(=O)OCCSc1cncs1 62a_100009814007_100011934649 [0,0,0,0,0,2|1,1,0]=4 5474 B12R1.255 CC(=O)OCCSc1cncs1 62a_100011934649_100009814007 [0,0,0,0,0,2|1,1,0]=4 5475 B12R1.255 CC(=O)OCCSc1cscn1 62a_100000751502_100009814007 [0,0,0,0,0,2|2,0,0]=4 5476 B12R1.255 CC(=O)OCCSc1cscn1 62a_100009814007_100000751502 [0,0,0,0,0,2|2,0,0]=4 5477 B12R1.255 CC(=O)OCCSc1ncc[nH]1 62a_100009814007_100025796157 [0,0,0,0,0,2|2,0,0]=4 5478 B12R1.255 CC(=O)OCCSc1ncc[nH]1 62a_100025796157_100009814007 [0,0,0,0,0,2|2,0,0]=4 5479 B12R1.255 CC(=O)OCCSc1ncco1 62a_100009814007_100011787736 [0,0,0,0,0,2|1,0,0]=3 5480 B12R1.255 CC(=O)OCCSc1ncco1 62a_100011787736_100009814007 [0,0,0,0,0,2|1,0,0]=3 5481 B12R1.255 CC(=O)OCCSc1nccs1 62a_100000211983_100009814007 [0,0,0,0,0,2|1,1,0]=4 5482 B12R1.255 CC(=O)OCCSc1nccs1 62a_100009814007_100000211983 [0,0,0,0,0,2|1,1,0]=4 5483 B12R1.255 CC(=O)OCNCc1ccco1 34a_100000185738_100009813279 [0,0,0,0,0,2|0,0,0]=2 5484 B12R1.255 CC(=O)OCNCc1ccoc1 34a_100015206860_100009813279 [0,0,0,0,0,2|2,0,0]=4 5485 B12R1.255 CC(=O)OCNCc1ccsc1 34a_100000186416_100009813279 [0,0,0,0,0,2|2,0,0]=4 5486 B12R1.255 CC(=O)OCOCc1ccco1 34a_100000210059_100009813279 [0,0,0,0,0,2|0,0,0]=2 5487 B12R1.255 CC(=O)OCOCc1cccs1 34a_100000211240_100009813279 [0,0,0,0,0,2|0,1,0]=3 5488 B12R1.255 CC(=O)OCOCc1ccno1 34a_100000740478_100009813279 [0,0,0,0,0,2|1,0,0]=3 5489 B12R1.255 CC(=O)OCOCc1ccoc1 34a_100011215357_100009813279 [0,0,0,0,0,2|2,0,0]=4 5490 B12R1.255 CC(=O)OCOCc1ccsc1 34a_100011215551_100009813279 [0,0,0,0,0,2|2,0,0]=4 5491 B12R1.255 CC(=O)OCOCc1ncco1 34a_100000062594_100009813279 [0,0,0,0,0,2|1,0,0]=3 5492 B12R1.255 CC(=O)OCOCn1cccn1 34a_100000731028_100009813279 [0,0,0,0,0,2|2,0,0]=4 5493 B12R1.255 CC(=O)OCSCc1c[nH]cn1 62a_100000076356_100000707719 [0,0,0,0,0,2|2,0,0]=4 5494 B12R1.255 CC(=O)OCSCc1c[nH]cn1 62a_100000707719_100000076356 [0,0,0,0,0,2|2,0,0]=4 5495 B12R1.255 CC(=O)OCSCc1ccn[nH]1 62a_100000076356_100000728653 [0,0,0,0,0,2|2,0,0]=4 5496 B12R1.255 CC(=O)OCSCc1ccn[nH]1 62a_100000728653_100000076356 [0,0,0,0,0,2|2,0,0]=4 5497 B12R1.255 CC(=O)OCSCc1ccon1 62a_100000076356_100000234950 [0,0,0,0,0,2|2,0,0]=4 5498 B12R1.255 CC(=O)OCSCc1ccon1 62a_100000234950_100000076356 [0,0,0,0,0,2|2,0,0]=4 5499 B12R1.255 CC(=O)OCSCc1ccsc1 62a_100000076356_100011233845 [0,0,0,0,0,2|2,0,0]=4 5500 B12R1.255 CC(=O)OCSCc1ccsc1 62a_100011261437_100000076356 [0,0,0,0,0,2|2,0,0]=4 5501 B12R1.255 CC(=O)OCSCc1cncs1 62a_100000076356_100015185245 [0,0,0,0,0,2|1,1,0]=4 5502 B12R1.255 CC(=O)OCSCc1cncs1 62a_100015185245_100000076356 [0,0,0,0,0,2|1,1,0]=4 5503 B12R1.255 CC(=O)OCSCc1cscn1 62a_100000076356_100000205941 [0,0,0,0,0,2|2,0,0]=4 5504 B12R1.255 CC(=O)OCSCc1cscn1 62a_100000205941_100000076356 [0,0,0,0,0,2|2,0,0]=4 5505 B12R1.255 CC(=O)OCSCc1ncc[nH]1 62a_100000076356_100016991755 [0,0,0,0,0,2|2,0,0]=4 5506 B12R1.255 CC(=O)OCSCc1ncc[nH]1 62a_100016991755_100000076356 [0,0,0,0,0,2|2,0,0]=4 5507 B12R1.255 CC(=O)OCSCc1ncco1 62a_100000076356_103436540062 [0,0,0,0,0,2|1,0,0]=3 5508 B12R1.255 CC(=O)OCSCc1ncco1 62a_103436540062_100000076356 [0,0,0,0,0,2|1,0,0]=3 5509 B12R1.255 CC(=O)OCSCc1nccs1 62a_100000076356_100015184050 [0,0,0,0,0,2|1,1,0]=4 5510 B12R1.255 CC(=O)OCSCc1nccs1 62a_100015184050_100000076356 [0,0,0,0,0,2|1,1,0]=4 5511 B12R1.255 CC(C)CCCSc1ccco1 62a_100009814098_100011214892 [0,0,0,0,0,2|1,0,1]=4 5512 B12R1.255 CC(C)CCCSc1ccco1 62a_100011214892_100009814098 [0,0,0,0,0,2|1,0,1]=4 5513 B12R1.255 CC(C)CCNCc1ccco1 207a_100000210545_100000186105 [0,0,0,0,0,2|1,0,1]=4 5514 B12R1.255 CC(C)CCNCc1ccco1 2230a_100000185738_100000210312 [0,0,0,0,0,2|1,0,1]=4 5515 B12R1.255 CC(C)CCNCc1ccco1 270004a_100000210545_100000186105 [0,0,0,0,0,2|1,0,1]=4 5516 B12R1.255 CC(C)CCNCc1ccco1 34a_100000185738_100000210312 [0,0,0,0,0,2|1,0,1]=4 5517 B12R1.255 CC(C)CCOCc1ccco1 34a_100000210059_100000210312 [0,0,0,0,0,2|1,0,1]=4 5518 B12R1.255 CC(C)CNCCc1ccco1 2230a_100000694680_100000210760 [0,0,0,0,0,2|1,0,1]=4 5519 B12R1.255 CC(C)CNCCc1ccco1 270004a_100000694680_100000210432 [0,0,0,0,0,2|1,0,1]=4 5520 B12R1.255 CC(C)CNCCc1ccco1 34a_100000694680_100000210624 [0,0,0,0,0,2|1,0,1]=4 5521 B12R1.255 CC(C)OCCSc1ccco1 62a_100000211751_100009814098 [0,0,0,0,0,2|1,0,1]=4 5522 B12R1.255 CC(C)OCCSc1ccco1 62a_100009814098_100000211751 [0,0,0,0,0,2|1,0,1]=4 5523 B12R1.255 CC(C)OCNCc1ccco1 2230a_100000185738_100000709892 [0,0,0,0,0,2|1,0,1]=4 5524 B12R1.255 CC(C)OCNCc1ccco1 34a_100000185738_100000709892 [0,0,0,0,0,2|1,0,1]=4 5525 B12R1.255 CC(C)OCOCc1ccco1 34a_100000210059_100000709892 [0,0,0,0,0,2|1,0,1]=4 5526 B12R1.255 CC(C)SCCSc1ccco1 62a_100000730970_100009814098 [0,0,0,0,0,2|1,0,1]=4 5527 B12R1.255 CC(C)SCCSc1ccco1 62a_100009814098_100000730970 [0,0,0,0,0,2|1,0,1]=4 5528 B12R1.255 CC(O)CCCSc1ccco1 62a_100009814098_200000718107 [0,0,0,0,0,2|0,0,2]=4 5529 B12R1.255 CC(O)CCCSc1ccco1 62a_200000718107_100009814098 [0,0,0,0,0,2|0,0,2]=4 5530 B12R1.255 CC(O)CCNCc1ccco1 207a_200000755665_100000186105 [0,0,0,0,0,2|0,0,2]=4 5531 B12R1.255 CC(O)CCNCc1ccco1 2230a_100000185738_100012276601 [0,0,0,0,0,2|0,0,2]=4 5532 B12R1.255 CC(O)CCNCc1ccco1 270004a_200000755665_100000186105 [0,0,0,0,0,2|0,0,2]=4 5533 B12R1.255 CC(O)CCNCc1ccco1 34a_100000185738_100012276601 [0,0,0,0,0,2|0,0,2]=4 5534 B12R1.255 CC(O)CCOCc1ccco1 34a_100000210059_100012276601 [0,0,0,0,0,2|0,0,2]=4 5535 B12R1.255 CC(O)CNCCc1ccco1 2230a_100000694680_100011218427 [0,0,0,0,0,2|0,0,2]=4 5536 B12R1.255 CC(O)CNCCc1ccco1 34a_100000694680_100011218427 [0,0,0,0,0,2|0,0,2]=4 5537 B12R1.255 CN(C)CCCSc1ccco1 62a_100009814098_100000757444 [0,0,0,0,0,2|2,0,0]=4 5538 B12R1.255 CN(C)CCNCc1ccco1 207a_100000210585_100000186105 [0,0,0,0,0,2|2,0,0]=4 5539 B12R1.255 CN(C)CCNCc1ccco1 270004a_100000210585_100000186105 [0,0,0,0,0,2|2,0,0]=4 5540 B12R1.255 C[C@@H](O)CNCCc1ccco1 2230a_100000694680_100009817552 [0,0,0,0,0,2|0,0,2]=4 5541 B12R1.255 C[C@@H](O)CNCCc1ccco1 34a_100000694680_100009817552 [0,0,0,0,0,2|0,0,2]=4 5542 B12R1.255 FC(=CCCSc1ccco1)F 62a_100009814098_200009816681 [0,0,0,0,0,2|2,0,0]=4 5543 B12R1.255 FC(=CCCSc1ccco1)F 62a_200009816681_100009814098 [0,0,0,0,0,2|2,0,0]=4 5544 B12R1.255 NC(=O)CCCSc1ccco1 62a_100009814098_100102525003 [0,0,0,0,0,2|1,0,0]=3 5545 B12R1.255 NC(=O)CCCSc1ccco1 62a_100102525003_100009814098 [0,0,0,0,0,2|1,0,0]=3 5546 B12R1.255 NC(=O)CCCSc1cccs1 62a_100011215356_100102525003 [0,0,0,0,0,2|1,1,0]=4 5547 B12R1.255 NC(=O)CCCSc1cccs1 62a_100102525003_100011215356 [0,0,0,0,0,2|1,1,0]=4 5548 B12R1.255 NC(=O)CCCSc1cnco1 62a_100020591547_100102525003 [0,0,0,0,0,2|2,0,0]=4 5549 B12R1.255 NC(=O)CCCSc1cnco1 62a_100102525003_100020591547 [0,0,0,0,0,2|2,0,0]=4 5550 B12R1.255 NC(=O)CCCSc1ncco1 62a_100011787736_100102525003 [0,0,0,0,0,2|2,0,0]=4 5551 B12R1.255 NC(=O)CCCSc1ncco1 62a_100102525003_100011787736 [0,0,0,0,0,2|2,0,0]=4 5552 B12R1.255 NC(=O)CCNCc1ccco1 207a_100000740010_100000186105 [0,0,0,0,0,2|1,0,0]=3 5553 B12R1.255 NC(=O)CCNCc1ccco1 2230a_100000185738_100000744528 [0,0,0,0,0,2|1,0,0]=3 5554 B12R1.255 NC(=O)CCNCc1ccco1 34a_100000185738_100000731001 [0,0,0,0,0,2|1,0,0]=3 5555 B12R1.255 NC(=O)CCNCc1cccs1 207a_100000740010_100000209959 [0,0,0,0,0,2|1,1,0]=4 5556 B12R1.255 NC(=O)CCNCc1cccs1 2230a_100000211653_100000744528 [0,0,0,0,0,2|1,1,0]=4 5557 B12R1.255 NC(=O)CCNCc1ncco1 2230a_100016994969_100000744528 [0,0,0,0,0,2|2,0,0]=4 5558 B12R1.255 NC(=O)CCOCc1ccco1 34a_100000210059_100000731001 [0,0,0,0,0,2|1,0,0]=3 5559 B12R1.255 NC(=O)CCOCc1cccs1 34a_100000211240_100000731001 [0,0,0,0,0,2|1,1,0]=4 5560 B12R1.255 NC(=O)CCOCc1ccno1 34a_100000740478_100000731001 [0,0,0,0,0,2|2,0,0]=4 5561 B12R1.255 NC(=O)CCOCc1ncco1 34a_100000062594_100000731001 [0,0,0,0,0,2|2,0,0]=4 5562 B12R1.255 NC(=O)CCOCc1ncco1 34a_100000757172_103436540062 [0,0,0,0,0,2|2,0,0]=4 5563 B12R1.255 NC(=O)CCOCc1ncco1 7a_100000757172_103436540062 [0,0,0,0,0,2|2,0,0]=4 5564 B12R1.255 NC(=O)CCSCc1ncco1 62a_100000744528_103436540062 [0,0,0,0,0,2|2,0,0]=4 5565 B12R1.255 NC(=O)CCSCc1ncco1 62a_103436540062_100000744528 [0,0,0,0,0,2|2,0,0]=4 5566 B12R1.255 NC(=O)CNCCc1ccco1 2230a_100000694680_100000747473 [0,0,0,0,0,2|1,0,0]=3 5567 B12R1.255 NC(=O)CNCCc1ccco1 34a_100000694680_100000187820 [0,0,0,0,0,2|1,0,0]=3 5568 B12R1.255 NC(=O)CNCCc1cccs1 2230a_100000203755_100000747473 [0,0,0,0,0,2|1,1,0]=4 5569 B12R1.255 NC(=O)CNCCc1cccs1 2230a_100000711301_100000748579 [0,0,0,0,0,2|1,1,0]=4 5570 B12R1.255 NC(=O)CNCCc1cccs1 34a_100000203755_100000187820 [0,0,0,0,0,2|1,1,0]=4 5571 B12R1.255 NC(=O)COCCc1cccs1 34a_100011216825_100000187820 [0,0,0,0,0,2|1,1,0]=4 5572 B12R1.255 NC(=O)COCCc1cccs1 7a_100011216825_100000187820 [0,0,0,0,0,2|1,1,0]=4 5573 B12R1.255 NC(=O)CSCCc1cccs1 62a_100000747473_100000748579 [0,0,0,0,0,2|1,1,0]=4 5574 B12R1.255 NC(=O)CSCCc1cccs1 62a_100000748579_100000747473 [0,0,0,0,0,2|1,1,0]=4 5575 B12R1.255 NC(=O)NCCSc1ccco1 62a_100009814098_200000034859 [0,0,0,0,0,2|1,0,0]=3 5576 B12R1.255 NC(=O)NCCSc1ccco1 62a_200000034859_100009814098 [0,0,0,0,0,2|1,0,0]=3 5577 B12R1.255 NC(=O)NCCSc1cccs1 62a_100011215356_200000034859 [0,0,0,0,0,2|1,1,0]=4 5578 B12R1.255 NC(=O)NCCSc1cccs1 62a_200000034859_100011215356 [0,0,0,0,0,2|1,1,0]=4 5579 B12R1.255 NC(=O)NCCSc1cnco1 62a_100020591547_200000034859 [0,0,0,0,0,2|2,0,0]=4 5580 B12R1.255 NC(=O)NCCSc1cnco1 62a_200000034859_100020591547 [0,0,0,0,0,2|2,0,0]=4 5581 B12R1.255 NC(=O)NCCSc1ncco1 62a_100011787736_200000034859 [0,0,0,0,0,2|2,0,0]=4 5582 B12R1.255 NC(=O)NCCSc1ncco1 62a_200000034859_100011787736 [0,0,0,0,0,2|2,0,0]=4 5583 B12R1.255 NC(=O)OCCSc1ccco1 62a_100009814098_200011214921 [0,0,0,0,0,2|1,0,0]=3 5584 B12R1.255 NC(=O)OCCSc1ccco1 62a_200011214921_100009814098 [0,0,0,0,0,2|1,0,0]=3 5585 B12R1.255 NC(=O)OCCSc1cccs1 62a_100011215356_200011214921 [0,0,0,0,0,2|1,1,0]=4 5586 B12R1.255 NC(=O)OCCSc1cccs1 62a_200011214921_100011215356 [0,0,0,0,0,2|1,1,0]=4 5587 B12R1.255 NC(=O)OCCSc1cnco1 62a_100020591547_200011214921 [0,0,0,0,0,2|2,0,0]=4 5588 B12R1.255 NC(=O)OCCSc1cnco1 62a_200011214921_100020591547 [0,0,0,0,0,2|2,0,0]=4 5589 B12R1.255 NC(=O)OCCSc1ncco1 62a_100011787736_200011214921 [0,0,0,0,0,2|2,0,0]=4 5590 B12R1.255 NC(=O)OCCSc1ncco1 62a_200011214921_100011787736 [0,0,0,0,0,2|2,0,0]=4 5591 B12R1.255 O=C(O)CNCCc1cccs1 269956a_100016091260_100000748579 [0,0,0,0,0,2|1,1,0]=4 5592 B12R1.255 O=C(O)CONCc1ncco1 269956a_100000106656_103436540062 [0,0,0,0,0,2|2,0,0]=4 5593 B12R1.255 O=C([O-])CNCCc1ccco1 34a_100000694680_100020667443 [0,0,0,0,0,2|1,0,0]=3 5594 B12R1.255 O=C([O-])CNCCc1cccs1 34a_100000203755_100020667443 [0,0,0,0,0,2|1,1,0]=4 5595 B12R1.255 O=C([O-])COCCc1cccs1 34a_100011216825_100020667443 [0,0,0,0,0,2|1,1,0]=4 5596 B12R1.255 O=C([O-])CSCCc1cccs1 62a_100000748579_100020667443 [0,0,0,0,0,2|1,1,0]=4 5597 B12R1.255 O=C([O-])CSCCc1cccs1 62a_100020667443_100000748579 [0,0,0,0,0,2|1,1,0]=4 5598 B12R1.255 O=[N+]([O-])CNCCc1ccco1 34a_100000694680_100000761209 [0,0,0,0,0,2|2,0,0]=4 5599 B12R1.255 [13CH3]C(=O)CCCCc1cccs1 1458a_100011216592_200025704644 [0,0,0,0,0,2|0,1,0]=3