0 B12R1.151 CC1=C(C=CC=C1)CS(=O)(=O)N Z274590394 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.151 CS(=O)(=O)CC1=C(C=CC=C1)Br Z416894838 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.151 CS(=O)(=O)CC1=C(C=CC=C1)N Z732207950 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.151 CS(=O)(=O)CC1=C(C=CC=C1)O Z1513868900 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.151 CS(=O)(=O)NC1=C(C=CC=C1)Br Z45619895 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.151 CS(=O)(=O)NC1=C(C=CC=C1)F Z45639775 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.151 CS(=O)(=O)NC1=C(C=CC=C1)I Z45635715 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.151 CS(=O)(=O)NC1=C(C=CC=C1)N Z235362831 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.151 NC1=C(C=CC=C1)CS(=O)(=O)N Z2289799371 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.151 NC1=C(C=CC=C1)OS(=O)(=O)F Z3919171891 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.151 NS(=O)(=O)CC1=C(C=CC=C1)Br Z734461494 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.151 NS(=O)(=O)CC1=C(C=CC=C1)Cl Z274590786 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.151 NS(=O)(=O)CC1=C(C=CC=C1)F Z274594156 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.151 NS(=O)(=O)CC1=C(C=CC=C1)I Z3300771595 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.151 O=S(=O)(F)CC1=C(C=CC=C1)Cl Z1362758794 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.151 O=S(=O)(F)CC1=C(C=CC=C1)F Z991722582 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.151 O=S(=O)(F)OC1=C(C=CC=C1)Cl Z3919171831 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.86 CC1=C(C=NC=C1)CC(=O)O Z1198264460 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.86 O=C(O)CC1=C(C=CN=C1)Cl Z2096659743 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.86 O=C(O)CC1=C(C=CN=C1)O Z1255444750 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.509 CS(=O)(=O)NC1=CN=CC=C1 Z45654055 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 Z89268868 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.509 NS(=O)(=O)CC1=CN=CC=C1 Z385450900 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.509 NS(=O)(=O)NC1=CC=CC=C1 Z1425690842 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 Z1255360895 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.509 O=P(O)(O)CC1=CN=CC=C1 Z1255418137 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 Z190630174 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 Z3206129658 [1,0,0,0,0,0|2,0,1]=4 28 B13R1.151 CC1=C(C=NC=C1Br)NS(=O)(=O)N Z2872820504 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.151 CS(=O)(=O)NC1=C(C(=CN=C1)Cl)Cl Z1729712934 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.151 NC1=C(C(=CC=C1)OS(=O)(=O)F)F Z3919187657 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.151 O=S(=O)(F)OC1=C(C(=CC=C1)Cl)Cl Z3919193310 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.276 CN(C1=C(C=CC=C1)N)S(=O)(=O)C Z905156774 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.622 CS(=O)(=O)CC1=C(C=CC=C1)CN Z1245645619 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.622 CS(=O)(=O)NC1=C(C=CC=C1)CN Z415636826 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.622 NCC1=C(C=CC=C1)CS(=O)(=O)N Z3064010645 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.883 CC1=CC(=C(C=C1)NS(=O)(=O)C)N Z407894218 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.883 CS(=O)(=O)CC1=C(C=C(C=C1)Cl)N Z955149516 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.883 O=S(=O)(F)OC1=C(C=C(C=C1)Cl)F Z3919193524 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.894 CS(=O)(=O)CC1=C(C=CC(=C1)F)N Z732208108 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.894 CS(=O)(=O)NC1=C(C=CC(=C1)F)N Z1105578640 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.894 NC1=CC(=C(C=C1)F)OS(=O)(=O)F Z3919189519 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.3788 CS(=O)(=O)CC1=C(C=CC=C1N)F Z1124525646 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.87 CC(C)(O)C1=C(C=CN=C1)N Z1192038970 [0,0,0,0,1,0|3,0,0]=4 44 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)F Z1486020661 [0,0,0,0,1,0|3,0,0]=4 45 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)N Z57902803 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)O Z1198149968 [0,0,0,0,1,0|2,0,0]=3 47 B11R1.87 CC1=C(C=NC=C1)S(=O)(=O)F Z2907428493 [0,0,0,0,1,0|2,0,0]=3 48 B11R1.87 CC1=C(C=NC=C1)S(=O)(=O)N Z1198154408 [0,0,0,0,1,0|2,0,0]=3 49 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)Br Z432564044 [0,0,0,0,1,0|3,0,0]=4 50 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)F Z126944608 [0,0,0,0,1,0|3,0,0]=4 51 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N Z210801860 [0,0,0,0,1,0|2,0,0]=3 52 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)O Z815289314 [0,0,0,0,1,0|3,0,0]=4 53 B11R1.87 CS(=O)(=O)C1=C(C=CC=N1)N Z317047098 [0,0,0,0,1,0|3,0,0]=4 54 B11R1.87 CS(=O)(=O)C1=C(C=NC=C1)N Z1347572745 [0,0,0,0,1,0|3,0,0]=4 55 B11R1.87 CS(=O)(=O)C1=C(N=CC=C1)N Z1262680404 [0,0,0,0,1,0|3,0,0]=4 56 B11R1.87 NC1=C(C=CC=C1)P(=O)(O)O Z1198157927 [0,0,0,0,1,0|2,0,1]=4 57 B11R1.87 NC1=C(C=CC=C1)S(=O)(=O)F Z1255485353 [0,0,0,0,1,0|2,0,0]=3 58 B11R1.87 NC1=C(C=CC=C1)S(=O)(=O)N Z278052056 [0,0,0,0,1,0|2,0,0]=3 59 B11R1.87 NC1=C(N=CC=C1)S(=O)(=O)F Z2467210975 [0,0,0,0,1,0|3,0,0]=4 60 B11R1.87 NC1=C(N=CC=C1)S(=O)(=O)N Z1216838238 [0,0,0,0,1,0|3,0,0]=4 61 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)Br Z45415642 [0,0,0,0,1,0|3,0,0]=4 62 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)Cl Z45415618 [0,0,0,0,1,0|3,0,0]=4 63 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)F Z45415581 [0,0,0,0,1,0|3,0,0]=4 64 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)I Z235542804 [0,0,0,0,1,0|3,0,0]=4 65 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)O Z1255467781 [0,0,0,0,1,0|3,0,0]=4 66 B11R1.87 O=S(=O)(Cl)C1=C(C=CC=C1)Br Z56970121 [0,0,0,0,1,0|3,0,0]=4 67 B11R1.87 O=S(=O)(Cl)C1=C(C=CC=C1)Cl Z56931877 [0,0,0,0,1,0|3,0,0]=4 68 B11R1.87 O=S(=O)(F)C1=C(C=CC=C1)Br Z1618011881 [0,0,0,0,1,0|3,0,0]=4 69 B11R1.87 O=S(=O)(F)C1=C(C=CC=C1)F Z1255453477 [0,0,0,0,1,0|3,0,0]=4 70 B11R1.87 O=S(=O)(F)C1=C(C=CC=C1)I Z3016190841 [0,0,0,0,1,0|3,0,0]=4 71 B11R1.87 O=S(=O)(F)C1=C(C=CC=C1)O Z1513874585 [0,0,0,0,1,0|3,0,0]=4 72 B11R1.87 O=S(=O)(F)C1=C(C=CN=C1)F Z4081436971 [0,0,0,0,1,0|2,0,0]=3 73 B13R1.157 CS(=O)(=O)NCC1=C(C=CC=C1)N Z905157986 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [2,0,0,0,0,0|2,0,0]=4 75 B12R1.106 CS(=O)(=O)NC1=CN=C(C=C1)N Z4951115188 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.106 NC1=CC=C(C=C1)OS(=O)(=O)F Z1262631479 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.106 NS(=O)(=O)CC1=CN=C(C=C1)Cl Z425350076 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.106 O=S(=O)(F)CC1=CN=C(C=C1)Cl Z991789044 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.106 O=S(=O)(F)CC1=CN=C(C=C1)F Z3271509731 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.119 NC1=CC(=CC=C1)OS(=O)(=O)F Z3919192866 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.119 NC1=CC(=CN=C1)OS(=O)(=O)F Z4309494893 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.119 O=S(=O)(F)OC1=CC(=CC=C1)Br Z3919190367 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.119 O=S(=O)(F)OC1=CC(=CN=C1)Br Z2941211647 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.194 C=CS(=O)(=O)OC1=CC=CC=C1 Z85923402 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.194 CCS(=O)(=O)NC1=CN=CC=C1 Z53825126 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.76 CCC1=C(C=CC=C1)S(=O)(=O)O Z2307166882 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.76 CNC1=C(C=CC=C1)S(=O)(=O)N Z425343670 [0,1,0,0,1,0|2,0,0]=4 88 B12R1.76 COC1=C(C=NC=C1)S(=O)(=O)F Z2738688418 [0,1,0,0,1,0|2,0,0]=4 89 B12R1.76 COC1=C(C=NC=C1)S(=O)(=O)N Z2108378528 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.76 N#CC1=C(C=NC=C1)S(=O)(=O)F Z3016191968 [0,1,0,0,1,0|1,0,1]=4 91 B12R1.76 NCC1=C(C=CC=C1)S(=O)(=O)N Z2096659111 [0,1,0,0,1,0|2,0,0]=4 92 B12R1.76 O=S(=O)(O)C1=C(C=CC=C1)CO Z2239077794 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.126 CC1=C(C=NC(=C1)Br)S(=O)(=O)Cl Z1723536682 [0,1,0,0,1,0|2,0,0]=4 94 B12R1.126 CC1=C(C=NC(=C1)Br)S(=O)(=O)N Z4907773073 [0,1,0,0,1,0|2,0,0]=4 95 B12R1.126 CC1=C(C=NC(=C1)Cl)S(=O)(=O)Cl Z1203134331 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.126 CC1=C(C=NC(=C1)Cl)S(=O)(=O)N Z1763432380 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.126 CC1=C(C=NC(=C1)N)S(=O)(=O)N Z3073296653 [0,1,0,0,1,0|2,0,0]=4 98 B12R1.126 CC1=CC(=C(C=C1)S(=O)(=O)C)N Z394648506 [0,1,0,0,1,0|2,0,0]=4 99 B12R1.126 CS(=O)(=O)C1=C(C=C(C=C1)Br)N Z317047092 [0,1,0,0,1,0|2,0,0]=4 100 B12R1.126 NC1=C(C=CC(=C1)Br)S(=O)(=O)N Z406721570 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.126 NC1=C(C=CC(=C1)Cl)S(=O)(=O)N Z359331366 [0,1,0,0,1,0|2,0,0]=4 102 B12R1.126 NC1=C(C=CC(=C1)F)S(=O)(=O)N Z359331404 [0,1,0,0,1,0|2,0,0]=4 103 B12R1.126 NC1=CC(=C(C=C1)S(=O)(=O)O)N Z240985232 [0,1,0,0,1,0|1,0,0]=3 104 B12R1.126 O=S(=O)(Cl)C1=CN=C(C=C1Cl)Cl Z1544611908 [0,1,0,0,1,0|2,0,0]=4 105 B12R1.128 CC1=CC(=C(C=C1)N)S(=O)(=O)C Z1262638090 [0,1,0,0,1,0|2,0,0]=4 106 B12R1.128 CC1=CC(=C(C=C1)N)S(=O)(=O)N Z1198155188 [0,1,0,0,1,0|2,0,0]=4 107 B12R1.128 CC1=CC(=C(C=C1)O)S(=O)(=O)O Z1513803805 [0,1,0,0,1,0|2,0,0]=4 108 B12R1.195 CCS(=O)(=O)C1=C(C=CC=C1)N Z317047122 [0,1,0,0,1,0|2,0,0]=4 109 B12R1.195 CNS(=O)(=O)C1=C(C=CC=C1)N Z278052022 [0,1,0,0,1,0|2,0,0]=4 110 B12R1.228 CC1=C(C(=CC=C1)S(=O)(=O)C)N Z1436432505 [0,1,0,0,1,0|2,0,0]=4 111 B12R1.228 NC1=C(C(=CC=C1)S(=O)(=O)N)N Z1486007943 [0,1,0,0,1,0|2,0,0]=4 112 B12R1.228 NC1=C(C=CC=C1O)S(=O)(=O)N Z1255421965 [0,1,0,0,1,0|2,0,0]=4 113 B12R1.228 O=S(=O)(Cl)C1=CN=CC(=C1Cl)Cl Z1486036367 [0,1,0,0,1,0|2,0,0]=4 114 B12R1.1010 CC1=C(C(=CC=C1)N)S(=O)(=O)C Z1507724397 [0,1,0,0,1,0|2,0,0]=4 115 B12R1.1010 CC1=C(C(=NC=C1)Br)S(=O)(=O)Cl Z1723535946 [0,1,0,0,1,0|2,0,0]=4 116 B12R1.1010 CC1=CC=CC(=C1S(=O)(=O)O)C Z1198151034 [0,1,0,0,1,0|2,0,0]=4 117 B12R1.1010 NC1=C(C(=CC=C1)F)S(=O)(=O)N Z803153290 [0,1,0,0,1,0|2,0,0]=4 118 B12R1.1010 O=S(=O)(Cl)C1=C(C=CN=C1Cl)Cl Z1203135269 [0,1,0,0,1,0|2,0,0]=4 119 B12R1.1010 O=S(=O)(Cl)C1=C(C=CN=C1Cl)F Z1945709391 [0,1,0,0,1,0|2,0,0]=4 120 B12R1.1010 O=S(=O)(Cl)C1=C(C=CN=C1F)F Z2310951886 [0,1,0,0,1,0|2,0,0]=4 121 B12R1.1010 O=S(=O)(Cl)C1=C(N=CC=C1Br)Cl Z2310130274 [0,1,0,0,1,0|2,0,0]=4 122 B12R1.1010 O=S(=O)(Cl)C1=C(N=CC=C1Br)F Z2310167185 [0,1,0,0,1,0|2,0,0]=4 123 B12R1.1010 O=S(=O)(Cl)C1=C(N=CC=C1Cl)F Z2311197959 [0,1,0,0,1,0|2,0,0]=4 124 B12R2.95 O=S1(=O)CC2=C(N1)C=CC=C2 Z1171481793 [1,0,0,1,0,0|2,0,0]=4 125 B12R2.95 O=S1(=O)NC2=C(N1)C=CC=C2 Z321036532 [1,0,0,1,0,0|2,0,0]=4 126 B14R2.3129 O=S(=O)(O)C1=NC2=C(N1)C=CC=C2 Z2239049414 [0,0,0,1,0,1|2,0,0]=4 127 B10R1.61 CC(=O)C1=C(C=CN=C1)N Z1192043585 [1,0,0,0,1,0|2,0,0]=4 128 B10R1.61 CC1=C(C=NC=C1)C(=O)O Z199468010 [1,0,0,0,1,0|2,0,0]=4 129 B10R1.61 NC1=C(C=NC=C1)B(O)O Z2294312059 [1,0,0,0,1,0|1,0,1]=4 130 B10R1.61 NC1=C(C=NC=C1)C(=O)O Z1167043563 [1,0,0,0,1,0|1,0,0]=3 131 B10R1.61 NC1=C(C=NC=C1)[N+](=O)[O-] Z57160191 [1,0,0,0,1,0|1,0,1]=4 132 B10R1.61 NC1=C(C=NC=N1)C(=O)O Z56755621 [1,0,0,0,1,0|2,0,0]=4 133 B10R1.28 CS(=O)(=O)C1=CN=CC=C1 Z425810472 [1,0,0,0,1,0|1,0,0]=3 134 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 Z45415554 [1,0,0,0,1,0|2,0,0]=4 135 B10R1.28 NS(=O)(=O)C1=CN=CC=C1 Z223026200 [1,0,0,0,1,0|1,0,0]=3 136 B10R1.28 NS(=O)(=O)C1=NC=CN=C1 Z854066840 [1,0,0,0,1,0|2,0,0]=4 137 B10R1.28 O=S(=O)(Cl)C1=CN=CC=C1 Z300074856 [1,0,0,0,1,0|1,0,0]=3 138 B10R1.28 O=S(=O)(F)C1=CC=CC=C1 Z1255364683 [1,0,0,0,1,0|2,0,0]=4 139 B10R1.28 O=S(=O)(F)C1=CN=CC=C1 Z1689029067 [1,0,0,0,1,0|1,0,0]=3 140 B10R1.28 O=S(=O)(O)C1=CN=CC=C1 Z104475570 [1,0,0,0,1,0|0,0,0]=2 141 B10R1.65 CS(=O)(=O)C1=C(SC=C1)N Z1222278837 [0,0,0,0,2,0|2,0,0]=4