0 B12R1.118 C#CC(Cc1ccccn1)NC Amb28248857 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.118 CCC(=Cc1ccccc1)CC Amb27807779 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.118 CCC(C#N)Cc1ccccc1 Amb27243484 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.118 CCC(C#N)Oc1ccccc1 Amb18797968 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.118 CCC(C#N)Sc1ccccc1 Amb10565503 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.118 CCC(CBr)Cc1ccccc1 Amb32688650 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.118 CCC(CC)Nc1ccncc1 Amb6638467 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.118 CCC(CC)Oc1ccccn1 Amb24100574 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.118 CCC(CCl)Cc1ccccc1 Amb32688649 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.118 CCC(CF)Nc1ccccc1 Amb27664184 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.118 CCC(CN)Cc1ccccc1 Amb5743867 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.118 CCC(CN)Cc1ccccn1 Amb5743864 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.118 CCC(CN)Cc1cccnc1 Amb5743865 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.118 CCC(CN)Cc1ccncc1 Amb5743866 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.118 CCC(CN)Nc1ccccc1 Amb25982695 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.118 CCC(CN)Oc1ccccc1 Amb18311092 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.118 CCC(CO)Nc1ccccc1 Amb13952611 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.118 CCC(Cc1ccccc1)NC Amb18792514 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.118 CCN(C#N)Cc1ccccc1 Amb24700837 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.118 CCN(CC)Cc1ccccc1 Amb4018412 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.118 CCN(Cc1ccccc1)N=O Amb24376725 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.118 CCN(Cc1ccccc1)OC Amb27977584 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.118 CC[C@@H](CO)Nc1ccccc1 Amb27175792 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.118 CC\C(=N\C)Nc1ccccc1 Amb27967210 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.118 CC\C(Cc1ccccc1)=N/O Amb27464620 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.118 CNC(C#N)Cc1ccccc1 Amb9205106 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.118 CNC(CN)Cc1ccccc1 Amb18800847 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.118 CNC(CO)Cc1ccccc1 Amb33536475 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.118 CN[C@@H](CO)Cc1ccccc1 Amb22745072 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.118 CN[C@H](CO)Cc1ccccc1 Amb33761130 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.118 COC(C#N)Cc1ccccc1 Amb25681947 [0,0,0,0,0,0|2,0,0]=2 31 B12R1.118 COC(C=O)Cc1ccccc1 Amb18646090 [0,0,0,0,0,0|2,0,0]=2 32 B12R1.118 COC(CBr)Cc1ccccc1 Amb32661729 [0,0,0,0,0,0|2,0,0]=2 33 B12R1.118 COC(CN)Cc1ccccc1 Amb21954040 [0,0,0,0,0,0|2,0,0]=2 34 B12R1.118 COC(CO)Cc1ccccc1 Amb28963382 [0,0,0,0,0,0|2,0,0]=2 35 B12R1.118 COC(Cc1ccccc1)OC Amb8513289 [0,0,0,0,0,0|0,0,0]=0 36 B12R1.118 COC(Cc1ncccn1)OC Amb32663757 [0,0,0,0,0,0|2,0,0]=2 37 B12R1.118 CO\C(=C\c1ccccc1)CO Amb27457627 [0,0,0,0,0,0|2,0,2]=4 38 B12R1.118 CO\C(C=O)=C\c1ccccc1 Amb17594035 [0,0,0,0,0,0|2,0,2]=4 39 B12R1.118 CSC(C#N)Cc1ccccc1 Amb17594511 [0,0,0,0,0,0|2,1,0]=3 40 B12R1.118 C\C=C(/C=O)Cc1ccccc1 Amb25743406 [0,0,0,0,0,0|3,0,1]=4 41 B12R1.118 C\C=C(\CC)Nc1ccccc1 Amb26457549 [0,0,0,0,0,0|3,0,1]=4 42 B12R1.118 C\C=C(\CO)Cc1ccccc1 Amb28242441 [0,0,0,0,0,0|3,0,1]=4 43 B12R1.118 C\N=C(/Nc1ccccc1)SC Amb4013158 [0,0,0,0,0,0|2,1,1]=4 44 B12R1.118 N#CC(C#N)Cc1ccccc1 Amb10574574 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.118 N#CC(CO)Cc1ccccc1 Amb18110109 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.118 NCC(CO)Cc1ccccc1 Amb5744189 [0,0,0,0,0,0|4,0,0]=4 47 B12R1.118 OCC(CO)Cc1ccccc1 Amb4018930 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.118 [C-]#[N+]C(CF)Cc1ccccc1 Amb27958640 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.40 C#CC(C)Cc1ccccc1 Amb32953156 [1,0,0,0,0,0|1,0,1]=3 50 B11R1.40 C#CC(O)Cc1ccccc1 Amb8392589 [1,0,0,0,0,0|1,0,1]=3 51 B11R1.40 C#CC(O)Cc1ccccn1 Amb27660806 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.40 C#CC(O)Cc1ccncc1 Amb27826821 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.40 C#CN(C)Cc1ccccc1 Amb27654928 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.40 C#C[C@H](N)Cc1ccccc1 Amb27468328 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.40 C=CC(Br)Cc1ccccc1 Amb27176324 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.40 C=CC(C)Cc1ccccc1 Amb25850978 [1,0,0,0,0,0|1,0,1]=3 57 B11R1.40 C=CC(C)Nc1ccccc1 Amb24122661 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.40 C=CC(Cl)Cc1ccccc1 Amb28056812 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.40 C=CC(O)Cc1ccccc1 Amb24664362 [1,0,0,0,0,0|1,0,1]=3 60 B11R1.40 C=CN(C)Cc1ccccc1 Amb27777024 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.40 C=C[C@@H](C)Nc1ccccc1 Amb28241123 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.40 C=C[C@@H](N)Cc1ccccc1 Amb10982592 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.40 C=C[C@H](C)Nc1ccccc1 Amb27596585 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.40 CC(C#N)Cc1ccccc1 Amb24402121 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.40 CC(C#N)Nc1ccccc1 Amb17399903 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.40 CC(C#N)Oc1ccccc1 Amb5780982 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.40 CC(C#N)Sc1ccccc1 Amb18800724 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.40 CC(C=O)Cc1ccccc1 Amb4035446 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.40 CC(C=O)Cc1ccccn1 Amb28196427 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.40 CC(C=O)Cc1cccnc1 Amb27629255 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.40 CC(C=O)Oc1ccccc1 Amb22011729 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.40 CC(C=O)Sc1ccccc1 Amb18646621 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.40 CC(CBr)Cc1ccccc1 Amb25151397 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.40 CC(CBr)Oc1ccccc1 Amb17241866 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.40 CC(CCl)Cc1ccccc1 Amb17477588 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.40 CC(CCl)Oc1ccccc1 Amb17232796 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.40 CC(CN)Cc1ccccc1 Amb18010535 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.40 CC(CN)Cc1ccccc1 Amb5743836 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.40 CC(CN)Cc1ccccn1 Amb5743833 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.40 CC(CN)Cc1cccnc1 Amb5743834 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.40 CC(CN)Cc1ccncc1 Amb5743835 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.40 CC(CN)Nc1ccccc1 Amb18644448 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.40 CC(CN)Oc1ccccc1 Amb3938897 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.40 CC(CN)Oc1ccccc1 Amb6365930 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.40 CC(CN)Sc1ccccc1 Amb17485971 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.40 CC(CO)Cc1ccccc1 Amb17477578 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.40 CC(CO)Cc1ccccn1 Amb33745069 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.40 CC(CO)Cc1cccnc1 Amb28350489 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.40 CC(CO)Cc1ccncc1 Amb25374015 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.40 CC(CO)Nc1ccccc1 Amb18971804 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.40 CC(CO)Oc1ccccc1 Amb17232100 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.40 CC(Cc1ccccc1)NN Amb31156530 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.40 CC(Cc1ccccc1)NN Amb4136392 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.40 CC(Cc1ccccc1)ON Amb32952996 [1,0,0,0,0,0|1,0,0]=2 95 B11R1.40 CC(Cc1ccccn1)NN Amb27976484 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.40 CC(Cc1ccncc1)NN Amb27493950 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.40 CCC(=O)Cc1ccccc1 Amb4605994 [1,0,0,0,0,0|1,0,2]=4 98 B11R1.40 CCC(Br)Cc1ccccc1 Amb25189250 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.40 CCC(Br)Cc1ccccn1 Amb28285520 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.40 CCC(Br)Cc1ccncc1 Amb24353281 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.40 CCC(Br)Cc1ccncc1 Amb32758727 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.40 CCC(C)Nc1ccccc1 Amb4017601 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.40 CCC(C)Oc1ccccc1 Amb24350256 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.40 CCC(C)Oc1cccnc1 Amb27432375 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.40 CCC(C)Sc1ccccc1 Amb25698974 [1,0,0,0,0,0|2,0,0]=3 106 B11R1.40 CCC(C)Sc1ccncc1 Amb27840194 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.40 CCC(Cl)Cc1ccccc1 Amb18177890 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.40 CCC(Cl)Cc1ccncc1 Amb17477712 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.40 CCC(N)Cc1ccccc1 Amb9428866 [1,0,0,0,0,0|2,0,0]=3 110 B11R1.40 CCC(N)Cc1ccccn1 Amb7772139 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.40 CCC(N)Cc1cccnc1 Amb9428899 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.40 CCC(N)Cc1ccncc1 Amb9428894 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.40 CCC(O)Cc1ccccc1 Amb4035173 [1,0,0,0,0,0|1,0,0]=2 114 B11R1.40 CCC(O)Cc1ccccn1 Amb17477703 [1,0,0,0,0,0|2,0,0]=3 115 B11R1.40 CCC(O)Cc1ccncc1 Amb17477704 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.40 CCC(S)Cc1ccccc1 Amb26868958 [1,0,0,0,0,0|1,1,0]=3 117 B11R1.40 CCN(C)Cc1cccnc1 Amb26606819 [1,0,0,0,0,0|3,0,0]=4 118 B11R1.40 CCN(N)Cc1ccccc1 Amb17232076 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.40 CC[C@@H](N)Cc1ccccc1 Amb25141525 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.40 CC[C@@H](N)Cc1ccccn1 Amb27471046 [1,0,0,0,0,0|3,0,0]=4 121 B11R1.40 CC[C@@H](N)Cc1ccncc1 Amb27945734 [1,0,0,0,0,0|3,0,0]=4 122 B11R1.40 CC[C@@H](O)Cc1ccccc1 Amb19375372 [1,0,0,0,0,0|1,0,0]=2 123 B11R1.40 CC[C@H](C)Cc1ccccc1 Amb25892475 [1,0,0,0,0,0|1,0,0]=2 124 B11R1.40 CC[C@H](N)Cc1ccccc1 Amb19929690 [1,0,0,0,0,0|2,0,0]=3 125 B11R1.40 CC[C@H](O)Cc1ccccc1 Amb27803759 [1,0,0,0,0,0|1,0,0]=2 126 B11R1.40 CC\C(C)=C/c1ccccc1 Amb22546773 [1,0,0,0,0,0|1,0,2]=4 127 B11R1.40 CC\C(C)=C\c1ccccc1 Amb4034910 [1,0,0,0,0,0|1,0,2]=4 128 B11R1.40 CN(C#N)Cc1ccccc1 Amb25072835 [1,0,0,0,0,0|3,0,0]=4 129 B11R1.40 CN(C=O)Cc1ccccc1 Amb27795680 [1,0,0,0,0,0|3,0,0]=4 130 B11R1.40 CN(Cc1ccccc1)N=O Amb24074071 [1,0,0,0,0,0|3,0,0]=4 131 B11R1.40 CNC(=O)Cc1ccccc1 Amb3099550 [1,0,0,0,0,0|1,0,2]=4 132 B11R1.40 CNC(C)Cc1ccccc1 Amb5735450 [1,0,0,0,0,0|1,0,0]=2 133 B11R1.40 CNC(C)Cc1ccccn1 Amb1995150 [1,0,0,0,0,0|2,0,0]=3 134 B11R1.40 CNC(C)Cc1cccnc1 Amb5735448 [1,0,0,0,0,0|2,0,0]=3 135 B11R1.40 CNC(C)Cc1ccncc1 Amb5735449 [1,0,0,0,0,0|2,0,0]=3 136 B11R1.40 CNC(C)Cc1cnccn1 Amb1995173 [1,0,0,0,0,0|3,0,0]=4 137 B11R1.40 CNC(O)Cc1ccccc1 Amb34915471 [1,0,0,0,0,0|1,0,0]=2 138 B11R1.40 CN[C@@H](C)Cc1ccccc1 Amb3939875 [1,0,0,0,0,0|1,0,0]=2 139 B11R1.40 CN[C@H](C)Cc1ccccc1 Amb8389889 [1,0,0,0,0,0|1,0,0]=2 140 B11R1.40 CN\C(C)=C\c1ccccc1 Amb32758729 [1,0,0,0,0,0|1,0,2]=4 141 B11R1.40 COC(=N)Cc1ccccc1 Amb17673180 [1,0,0,0,0,0|1,0,1]=3 142 B11R1.40 COC(=N)Cc1ccccc1 Amb22366095 [1,0,0,0,0,0|1,0,1]=3 143 B11R1.40 COC(=N)Cc1ccncc1 Amb18182737 [1,0,0,0,0,0|2,0,1]=4 144 B11R1.40 COC(=O)C[n+]1ccccc1 Amb26880684 [1,0,0,0,0,0|1,0,2]=4 145 B11R1.40 COC(=O)C[n+]1ccccc1 Amb3433634 [1,0,0,0,0,0|1,0,2]=4 146 B11R1.40 COC(=O)Cc1ccccc1 Amb6608802 [1,0,0,0,0,0|0,0,2]=3 147 B11R1.40 COC(=O)Cc1ccccn1 Amb1223230 [1,0,0,0,0,0|1,0,2]=4 148 B11R1.40 COC(=O)Cc1cccnc1 Amb22497118 [1,0,0,0,0,0|1,0,2]=4 149 B11R1.40 COC(=O)Cc1cccnc1 Amb4017567 [1,0,0,0,0,0|1,0,2]=4 150 B11R1.40 COC(=O)Cc1ccncc1 Amb20240688 [1,0,0,0,0,0|1,0,2]=4 151 B11R1.40 COC(=O)Cc1ccncc1 Amb6892645 [1,0,0,0,0,0|1,0,2]=4 152 B11R1.40 COC(=O)Nc1ccccc1 Amb1200636 [1,0,0,0,0,0|1,0,2]=4 153 B11R1.40 COC(=O)Oc1ccccc1 Amb10807421 [1,0,0,0,0,0|1,0,2]=4 154 B11R1.40 COC(=S)Nc1ccccc1 Amb2731871 [1,0,0,0,0,0|1,1,1]=4 155 B11R1.40 CON(C)Cc1ccncc1 Amb28064659 [1,0,0,0,0,0|2,0,0]=3 156 B11R1.40 CO\C(C)=C\c1ccccc1 Amb4020305 [1,0,0,0,0,0|0,0,2]=3 157 B11R1.40 CO\C(C)=N/c1ccccn1 Amb24095834 [1,0,0,0,0,0|2,0,1]=4 158 B11R1.40 CO\C(C)=N\c1ccccn1 Amb27484618 [1,0,0,0,0,0|2,0,1]=4 159 B11R1.40 CO\C([O-])=N\c1ccccc1 Amb8488213 [1,0,0,0,0,0|1,0,2]=4 160 B11R1.40 C[C@@H](C=O)Oc1ccccc1 Amb24504931 [1,0,0,0,0,0|3,0,0]=4 161 B11R1.40 C[C@@H](CBr)Cc1ccccc1 Amb27839684 [1,0,0,0,0,0|2,0,0]=3 162 B11R1.40 C[C@@H](CCl)Cc1ccccc1 Amb28060129 [1,0,0,0,0,0|2,0,0]=3 163 B11R1.40 C[C@@H](CN)Cc1ccccc1 Amb24615612 [1,0,0,0,0,0|2,0,0]=3 164 B11R1.40 C[C@@H](CN)Cc1ccccn1 Amb33727431 [1,0,0,0,0,0|3,0,0]=4 165 B11R1.40 C[C@@H](CN)Cc1cccnc1 Amb33731721 [1,0,0,0,0,0|3,0,0]=4 166 B11R1.40 C[C@@H](CN)Cc1ccncc1 Amb28313701 [1,0,0,0,0,0|3,0,0]=4 167 B11R1.40 C[C@@H](CO)Cc1ccccc1 Amb26017714 [1,0,0,0,0,0|2,0,0]=3 168 B11R1.40 C[C@@H](CO)Cc1ccccn1 Amb33735563 [1,0,0,0,0,0|3,0,0]=4 169 B11R1.40 C[C@@H](CO)Cc1cccnc1 Amb33741020 [1,0,0,0,0,0|3,0,0]=4 170 B11R1.40 C[C@@H](CO)Cc1ccncc1 Amb33735386 [1,0,0,0,0,0|3,0,0]=4 171 B11R1.40 C[C@H](CN)Cc1ccccc1 Amb27595651 [1,0,0,0,0,0|2,0,0]=3 172 B11R1.40 C[C@H](CN)Cc1ccccn1 Amb33747428 [1,0,0,0,0,0|3,0,0]=4 173 B11R1.40 C[C@H](CN)Cc1cccnc1 Amb33737491 [1,0,0,0,0,0|3,0,0]=4 174 B11R1.40 C[C@H](CN)Cc1ccncc1 Amb24745496 [1,0,0,0,0,0|3,0,0]=4 175 B11R1.40 C[C@H](CN)Oc1ccccc1 Amb27803833 [1,0,0,0,0,0|3,0,0]=4 176 B11R1.40 C[C@H](CO)Cc1ccccc1 Amb25266388 [1,0,0,0,0,0|2,0,0]=3 177 B11R1.40 C[C@H](CO)Cc1ccccn1 Amb33730468 [1,0,0,0,0,0|3,0,0]=4 178 B11R1.40 C[C@H](CO)Cc1cccnc1 Amb33737852 [1,0,0,0,0,0|3,0,0]=4 179 B11R1.40 C[C@H](CO)Cc1ccncc1 Amb33730461 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.40 C[C@H](CO)Oc1ccccc1 Amb28182636 [1,0,0,0,0,0|3,0,0]=4 181 B11R1.40 C[SiH](CO)Cc1ccccc1 Amb27981860 [1,0,0,0,0,0|2,1,0]=4 182 B11R1.40 C\C=C(\C)Nc1ccccc1 Amb27597055 [1,0,0,0,0,0|2,0,1]=4 183 B11R1.40 C\N=C(\C)Oc1ccccc1 Amb27260339 [1,0,0,0,0,0|2,0,1]=4 184 B11R1.40 C\N=C(\N)Cc1ccccc1 Amb23569051 [1,0,0,0,0,0|2,0,1]=4 185 B11R1.40 FCC(F)Cc1ccccc1 Amb22641518 [1,0,0,0,0,0|3,0,0]=4 186 B11R1.40 N#CC(Br)Cc1ccccc1 Amb1154191 [1,0,0,0,0,0|3,0,0]=4 187 B11R1.40 N#CC(Cl)Cc1ccccc1 Amb1103676 [1,0,0,0,0,0|3,0,0]=4 188 B11R1.40 N#CC(N)Cc1ccccc1 Amb6892763 [1,0,0,0,0,0|3,0,0]=4 189 B11R1.40 N#CC(N)Cc1ccccc1 Amb9707863 [1,0,0,0,0,0|3,0,0]=4 190 B11R1.40 N#C[C@@H](N)Cc1ccccc1 Amb17399902 [1,0,0,0,0,0|3,0,0]=4 191 B11R1.40 N#C[C@H](N)Cc1ccccc1 Amb26366283 [1,0,0,0,0,0|3,0,0]=4 192 B11R1.40 NC(CBr)Cc1ccccc1 Amb26619555 [1,0,0,0,0,0|3,0,0]=4 193 B11R1.40 NC(CCl)Cc1ccccc1 Amb28076898 [1,0,0,0,0,0|3,0,0]=4 194 B11R1.40 NC(CO)Cc1ccccc1 Amb6739795 [1,0,0,0,0,0|3,0,0]=4 195 B11R1.40 NC(CS)Cc1ccccc1 Amb27401982 [1,0,0,0,0,0|3,0,0]=4 196 B11R1.40 NCC(N)Cc1ccccc1 Amb9380670 [1,0,0,0,0,0|3,0,0]=4 197 B11R1.40 NCC(O)C[n+]1ccccc1 Amb28071215 [1,0,0,0,0,0|3,0,0]=4 198 B11R1.40 NCC(O)Cc1ccccc1 Amb2697590 [1,0,0,0,0,0|2,0,0]=3 199 B11R1.40 NCC(O)Cc1ccccc1 Amb8630271 [1,0,0,0,0,0|2,0,0]=3 200 B11R1.40 NCC(O)Cc1ccccn1 Amb18201349 [1,0,0,0,0,0|3,0,0]=4 201 B11R1.40 NCC(O)Cc1cccnc1 Amb17232103 [1,0,0,0,0,0|3,0,0]=4 202 B11R1.40 NCC(O)Cc1ccncc1 Amb18201350 [1,0,0,0,0,0|3,0,0]=4 203 B11R1.40 NC[C@@H](N)Cc1ccccc1 Amb17619360 [1,0,0,0,0,0|3,0,0]=4 204 B11R1.40 NC[C@@H](O)Cc1ccccc1 Amb22746804 [1,0,0,0,0,0|2,0,0]=3 205 B11R1.40 NC[C@@H](O)Cc1ccccc1 Amb33456886 [1,0,0,0,0,0|2,0,0]=3 206 B11R1.40 NC[C@H](N)Cc1ccccc1 Amb17619359 [1,0,0,0,0,0|3,0,0]=4 207 B11R1.40 NC[C@H](O)Cc1ccccc1 Amb24538166 [1,0,0,0,0,0|2,0,0]=3 208 B11R1.40 N[C@@H](CBr)Cc1ccccc1 Amb27413229 [1,0,0,0,0,0|3,0,0]=4 209 B11R1.40 N[C@@H](CF)Cc1ccccc1 Amb33624252 [1,0,0,0,0,0|3,0,0]=4 210 B11R1.40 N[C@@H](CO)Cc1ccccc1 Amb534734 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.40 N[C@H](C=O)Cc1ccccc1 Amb27810784 [1,0,0,0,0,0|3,0,0]=4 212 B11R1.40 N[C@H](CBr)Cc1ccccc1 Amb25923127 [1,0,0,0,0,0|3,0,0]=4 213 B11R1.40 N[C@H](CO)Cc1ccccc1 Amb3939343 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.40 O=CC(Cl)Cc1ccccc1 Amb17204312 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.40 O=CC(I)Cc1ccccc1 Amb27839657 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.40 O=CC(O)Cc1ccccn1 Amb28345542 [1,0,0,0,0,0|3,0,0]=4 217 B11R1.40 O=CN(O)Cc1ccccc1 Amb27873557 [1,0,0,0,0,0|3,0,0]=4 218 B11R1.40 O=C[C@@H](Cl)Cc1ccccc1 Amb27632499 [1,0,0,0,0,0|3,0,0]=4 219 B11R1.40 O=C[C@H](Cl)Cc1ccccc1 Amb27955251 [1,0,0,0,0,0|3,0,0]=4 220 B11R1.40 O=C[C@H](I)Cc1ccccc1 Amb28365493 [1,0,0,0,0,0|3,0,0]=4 221 B11R1.40 O=NN(O)Cc1ccccc1 Amb28131432 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.40 OC(CBr)Cc1ccccc1 Amb17595843 [1,0,0,0,0,0|2,0,0]=3 223 B11R1.40 OC(CBr)Sc1ccccc1 Amb24065441 [1,0,0,0,0,0|3,0,0]=4 224 B11R1.40 OC(CCl)Cc1ccccc1 Amb4035193 [1,0,0,0,0,0|2,0,0]=3 225 B11R1.40 OC(CF)Cc1ccccc1 Amb24733743 [1,0,0,0,0,0|2,0,0]=3 226 B11R1.40 OCC(Br)Cc1ccccc1 Amb27225418 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.40 OCC(Cl)Cc1ccccc1 Amb24373181 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.40 OCC(O)Cc1ccccc1 Amb17593786 [1,0,0,0,0,0|2,0,0]=3 229 B11R1.40 OCC(O)Cc1ccccn1 Amb26381861 [1,0,0,0,0,0|3,0,0]=4 230 B11R1.40 OCC(O)Oc1ccccc1 Amb28344634 [1,0,0,0,0,0|3,0,0]=4 231 B11R1.40 OCC(S)Cc1ccccc1 Amb28292008 [1,0,0,0,0,0|2,1,0]=4 232 B11R1.40 OC[C@@H](Br)Cc1ccccc1 Amb26974518 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.40 OC[C@@H](Cl)Cc1ccccc1 Amb25984616 [1,0,0,0,0,0|3,0,0]=4 234 B11R1.40 OC[C@H](F)Cc1ccccc1 Amb27756441 [1,0,0,0,0,0|3,0,0]=4 235 B11R1.40 O[C@@H](CBr)Cc1ccccc1 Amb28135916 [1,0,0,0,0,0|2,0,0]=3 236 B11R1.40 O[C@@H](CCl)Cc1ccccc1 Amb19929327 [1,0,0,0,0,0|2,0,0]=3 237 B11R1.40 O[C@H](CCl)Cc1ccccc1 Amb19929332 [1,0,0,0,0,0|2,0,0]=3 238 B11R1.40 O\N=C(/O)Cc1ccccc1 Amb19986986 [1,0,0,0,0,0|2,0,1]=4 239 B11R1.40 [C-]#[N+]C(C)Cc1ccccc1 Amb32953158 [1,0,0,0,0,0|1,0,1]=3 240 B11R1.40 [NH3+]C(CO)Cc1ccccc1 Amb33512954 [1,0,0,0,0,0|3,0,0]=4 241 B13R1.79 C#CC(Cc1ccccc1)NCC Amb32677169 [0,1,0,0,0,0|2,0,1]=4 242 B13R1.79 C#CCC(Cc1ccccc1)NC Amb18185789 [0,1,0,0,0,0|2,0,1]=4 243 B13R1.79 C#CCN(Cc1ccccc1)OC Amb28045030 [0,1,0,0,0,0|2,0,1]=4 244 B13R1.79 C=CCN(Cc1ccccc1)OC Amb28349765 [0,1,0,0,0,0|2,0,1]=4 245 B13R1.79 CCC(COC)Nc1ccccn1 Amb32676700 [0,1,0,0,0,0|3,0,0]=4 246 B13R1.79 CCN(CCBr)Cc1ccccc1 Amb27414505 [0,1,0,0,0,0|3,0,0]=4 247 B13R1.79 CCN(CCN)Cc1ccccc1 Amb5782019 [0,1,0,0,0,0|3,0,0]=4 248 B13R1.79 CCNC(CC)Cc1ccccc1 Amb18180699 [0,1,0,0,0,0|2,0,0]=3 249 B13R1.79 CNC(CCO)Cc1ccccc1 Amb32651881 [0,1,0,0,0,0|2,0,0]=3 250 B13R1.79 CNC(CCO)Cc1ccccc1 Amb32651892 [0,1,0,0,0,0|2,0,0]=3 251 B13R1.79 CNC(COC)Cc1ccccc1 Amb33552712 [0,1,0,0,0,0|1,0,0]=2 252 B13R1.79 CON(CCF)Cc1ccccc1 Amb27452233 [0,1,0,0,0,0|2,0,0]=3 253 B13R1.79 C\C=C\C(CC)Nc1ccccc1 Amb24417887 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.86 CCC(CC)C(N)c1ccccc1 Amb6255035 [0,1,0,0,0,0|2,0,0]=3 255 B13R1.86 CCC(CN)C(O)c1ccccc1 Amb32693635 [0,1,0,0,0,0|3,0,0]=4 256 B13R1.86 CCC(NC)C(=O)c1ccccc1 Amb17621424 [0,1,0,0,0,0|2,0,1]=4 257 B13R1.86 CCC(NC)C(O)c1ccccc1 Amb18604539 [0,1,0,0,0,0|2,0,0]=3 258 B13R1.86 CCC(SC)C(=O)c1ccccc1 Amb19051956 [0,1,0,0,0,0|1,1,1]=4 259 B13R1.86 CC[C@@H](C#N)[C@@H](O)c1ccccc1 Amb27484816 [0,1,0,0,0,0|3,0,0]=4 260 B13R1.86 CNC(C#N)C(C)c1ccccc1 Amb18975499 [0,1,0,0,0,0|3,0,0]=4 261 B13R1.86 COC(OC)C(=O)c1ccccc1 Amb10559989 [0,1,0,0,0,0|0,0,1]=2 262 B13R1.86 COC(OC)C(N)c1ccccc1 Amb33548321 [0,1,0,0,0,0|0,0,0]=1 263 B13R1.86 COC(OC)C(N)c1cccnc1 Amb33307076 [0,1,0,0,0,0|1,0,0]=2 264 B13R1.86 COC(OC)C(O)c1ccccc1 Amb29845522 [0,1,0,0,0,0|0,0,0]=1 265 B13R1.86 COP(OC)C(=O)c1ccccc1 Amb17778335 [0,1,0,0,0,0|1,0,1]=3 266 B13R1.145 C#CC(Cc1ccc(Br)cc1)NC Amb27180951 [0,1,0,0,0,0|2,0,1]=4 267 B13R1.145 C#CC(Cc1ccc(F)cc1)NC Amb27962754 [0,1,0,0,0,0|2,0,1]=4 268 B13R1.145 CCC(CC)Nc1ccc(C)cc1 Amb6700809 [0,1,0,0,0,0|3,0,0]=4 269 B13R1.145 CCC(CC)Nc1ccc(F)cc1 Amb6696754 [0,1,0,0,0,0|3,0,0]=4 270 B13R1.145 CCC(CC)Nc1ccc(O)cc1 Amb9608788 [0,1,0,0,0,0|3,0,0]=4 271 B13R1.145 CCC(CC)Oc1ccc(N)cc1 Amb840106 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.145 CCC(CN)Cc1ccc(C)cc1 Amb5743870 [0,1,0,0,0,0|3,0,0]=4 273 B13R1.145 CCC(CN)Cc1ccc(Cl)cc1 Amb5743879 [0,1,0,0,0,0|3,0,0]=4 274 B13R1.145 CCC(CN)Cc1ccc(F)cc1 Amb5743872 [0,1,0,0,0,0|3,0,0]=4 275 B13R1.145 CCC(Cc1ccc(C)cc1)NC Amb18795950 [0,1,0,0,0,0|2,0,0]=3 276 B13R1.145 CCN(CC)Cc1ccc(Br)cc1 Amb8436150 [0,1,0,0,0,0|3,0,0]=4 277 B13R1.145 CCN(CC)Cc1ccc(N)cc1 Amb24086907 [0,1,0,0,0,0|3,0,0]=4 278 B13R1.145 CCN(CC)Cc1ccc(N)cc1 Amb33526847 [0,1,0,0,0,0|3,0,0]=4 279 B13R1.145 CCN(CC)Cc1ccc(N)cc1 Amb9854887 [0,1,0,0,0,0|3,0,0]=4 280 B13R1.145 CNC(CO)Cc1ccc(Cl)cc1 Amb18066511 [0,1,0,0,0,0|3,0,0]=4 281 B13R1.145 CNC(CO)Cc1ccc(F)cc1 Amb18066103 [0,1,0,0,0,0|3,0,0]=4 282 B13R1.145 COC(CBr)Cc1ccc(F)cc1 Amb32668365 [0,1,0,0,0,0|2,0,0]=3 283 B13R1.145 COC(Cc1ccc(C)cc1)OC Amb24066883 [0,1,0,0,0,0|0,0,0]=1 284 B13R1.145 COC(Cc1ccc(Cl)cc1)OC Amb32455028 [0,1,0,0,0,0|0,0,0]=1 285 B13R1.145 COC(Cc1ccc(F)cc1)OC Amb19330385 [0,1,0,0,0,0|0,0,0]=1 286 B13R1.145 COC(Cc1ccc(N)cc1)OC Amb21963825 [0,1,0,0,0,0|0,0,0]=1 287 B13R1.146 C#CC(Cc1cccc(C)c1)NC Amb27450311 [0,1,0,0,0,0|2,0,1]=4 288 B13R1.146 C#CC(Cc1cccc(Cl)c1)NC Amb27816937 [0,1,0,0,0,0|2,0,1]=4 289 B13R1.146 C#CC(Cc1cccc(F)c1)NC Amb27451733 [0,1,0,0,0,0|2,0,1]=4 290 B13R1.146 CCC(CC)Nc1cccc(C)c1 Amb6684463 [0,1,0,0,0,0|3,0,0]=4 291 B13R1.146 CCC(CC)Nc1cccc(F)c1 Amb6695826 [0,1,0,0,0,0|3,0,0]=4 292 B13R1.146 CCC(CC)Oc1cccc(N)c1 Amb33035389 [0,1,0,0,0,0|3,0,0]=4 293 B13R1.146 CCC(CN)Cc1cccc(Br)c1 Amb19515548 [0,1,0,0,0,0|3,0,0]=4 294 B13R1.146 CCC(CN)Cc1cccc(C)c1 Amb5743869 [0,1,0,0,0,0|3,0,0]=4 295 B13R1.146 CCC(CN)Cc1cccc(Cl)c1 Amb5743878 [0,1,0,0,0,0|3,0,0]=4 296 B13R1.146 CCN(CC)Cc1cccc(Br)c1 Amb22900164 [0,1,0,0,0,0|3,0,0]=4 297 B13R1.146 CCN(CC)Cc1cccc(N)c1 Amb1092116 [0,1,0,0,0,0|3,0,0]=4 298 B13R1.146 CCN(CC)Cc1cccc(N)c1 Amb4019206 [0,1,0,0,0,0|3,0,0]=4 299 B13R1.146 CCN(CC)Cc1cccc(O)c1 Amb17511194 [0,1,0,0,0,0|3,0,0]=4 300 B13R1.146 COC(Cc1cccc(Cl)c1)OC Amb19373689 [0,1,0,0,0,0|0,0,0]=1 301 B13R1.146 COC(Cc1cccc(F)c1)OC Amb19329171 [0,1,0,0,0,0|0,0,0]=1 302 B13R1.335 C#CC(Cc1ccccc1Br)NC Amb27181013 [0,1,0,0,0,0|2,0,1]=4 303 B13R1.335 C#CC(Cc1ccccc1F)NC Amb27180846 [0,1,0,0,0,0|2,0,1]=4 304 B13R1.335 CCC(CC)Nc1ccccc1C Amb6701167 [0,1,0,0,0,0|3,0,0]=4 305 B13R1.335 CCC(CC)Nc1ccccc1F Amb6697311 [0,1,0,0,0,0|3,0,0]=4 306 B13R1.335 CCC(CC)Nc1ccccc1N Amb7767508 [0,1,0,0,0,0|3,0,0]=4 307 B13R1.335 CCC(CC)Nc1ccccc1S Amb28382489 [0,1,0,0,0,0|3,0,0]=4 308 B13R1.335 CCC(CC)Oc1ccccc1N Amb840084 [0,1,0,0,0,0|3,0,0]=4 309 B13R1.335 CCC(CN)Cc1ccccc1C Amb5743868 [0,1,0,0,0,0|3,0,0]=4 310 B13R1.335 CCC(CN)Cc1ccccc1Cl Amb5743877 [0,1,0,0,0,0|3,0,0]=4 311 B13R1.335 CCC(CN)Cc1ccccc1F Amb5743871 [0,1,0,0,0,0|3,0,0]=4 312 B13R1.335 CCC(Cc1ccccc1Br)NC Amb33292447 [0,1,0,0,0,0|2,0,0]=3 313 B13R1.335 CCN(CC)Cc1ccccc1N Amb5559961 [0,1,0,0,0,0|3,0,0]=4 314 B13R1.335 COC(Cc1ccccc1F)OC Amb19419528 [0,1,0,0,0,0|0,0,0]=1 315 B13R1.335 COC(Cc1ccccc1N)OC Amb8395713 [0,1,0,0,0,0|0,0,0]=1 316 B13R1.418 CC(=O)C(CN)Cc1ccccc1 Amb33447075 [0,1,0,0,0,0|3,0,0]=4 317 B13R1.418 CC(C)C(CN)Cc1ccccc1 Amb17233325 [0,1,0,0,0,0|3,0,0]=4 318 B13R1.418 CC(C)C(CN)Cc1ccccc1 Amb28600315 [0,1,0,0,0,0|3,0,0]=4 319 B13R1.418 CC(C)C(Cc1ccccc1)NN Amb33109800 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.418 CCC(Cc1ccccc1)C(=O)O Amb5744036 [0,1,0,0,0,0|3,0,0]=4 321 B13R1.418 CCC(Cc1ccccc1)C(C)=O Amb17233201 [0,1,0,0,0,0|2,0,0]=3 322 B13R1.418 CCC(Cc1ccccc1)C(C)N Amb19007900 [0,1,0,0,0,0|2,0,0]=3 323 B13R1.418 CCC(Cc1ccccc1)[C@@H](C)N Amb33747713 [0,1,0,0,0,0|2,0,0]=3 324 B13R1.418 CCC(Cc1ccccc1)[C@H](C)N Amb33731415 [0,1,0,0,0,0|2,0,0]=3 325 B13R1.418 CCC(Nc1ccccc1)C(C)=O Amb27244645 [0,1,0,0,0,0|3,0,0]=4 326 B13R1.418 CCC(Nc1ccccc1)C(C)C Amb9622185 [0,1,0,0,0,0|3,0,0]=4 327 B13R1.418 CCC(Nc1ccccc1)C(C)O Amb27392233 [0,1,0,0,0,0|3,0,0]=4 328 B13R1.418 CCC(Sc1ccccc1)C(C)=O Amb32682580 [0,1,0,0,0,0|3,0,0]=4 329 B13R1.418 CCN(Cc1ccccc1)C(C)=O Amb6338885 [0,1,0,0,0,0|3,0,0]=4 330 B13R1.418 CC[C@H](Nc1ccccc1)C(C)=O Amb28070936 [0,1,0,0,0,0|3,0,0]=4 331 B13R1.418 CN(C)C(C#N)Cc1ccccc1 Amb9283579 [0,1,0,0,0,0|3,0,0]=4 332 B13R1.418 CN(C)C(CN)Cc1ccccc1 Amb433665 [0,1,0,0,0,0|3,0,0]=4 333 B13R1.418 CNC(Cc1ccccc1)C(=O)O Amb33983942 [0,1,0,0,0,0|3,0,0]=4 334 B13R1.418 CNC(Cc1ccccc1)C(=O)O Amb9619791 [0,1,0,0,0,0|3,0,0]=4 335 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O Amb10604038 [0,1,0,0,0,0|3,0,0]=4 336 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O Amb22744994 [0,1,0,0,0,0|3,0,0]=4 337 B13R1.418 CN[C@H](Cc1ccccc1)C(=O)O Amb16183857 [0,1,0,0,0,0|3,0,0]=4 338 B13R1.418 CN[C@H](Cc1ccccc1)C(=O)O Amb33801550 [0,1,0,0,0,0|3,0,0]=4 339 B13R1.418 COC(Cc1ccccc1)C(=O)O Amb18128650 [0,1,0,0,0,0|2,0,0]=3 340 B13R1.418 COC(Cc1ccccn1)C(=O)O Amb33360479 [0,1,0,0,0,0|3,0,0]=4 341 B13R1.418 COC(Cc1cccnc1)C(=O)O Amb33360424 [0,1,0,0,0,0|3,0,0]=4 342 B13R1.418 COC(Cc1ccncc1)C(=O)O Amb33380641 [0,1,0,0,0,0|3,0,0]=4 343 B13R1.418 CON(Oc1ccccc1)C(C)=O Amb24096701 [0,1,0,0,0,0|3,0,0]=4 344 B13R1.418 NOC(Cc1ccccc1)C(=O)O Amb32663372 [0,1,0,0,0,0|3,0,0]=4 345 B13R1.418 NOC(Cc1ccccc1)C(=O)O Amb33339164 [0,1,0,0,0,0|3,0,0]=4 346 B13R1.3080 CCC(C)(C=O)Cc1ccccc1 Amb33504024 [0,1,0,0,0,0|3,0,0]=4 347 B13R1.3080 CCC(N)(CC)Cc1ccccc1 Amb5737594 [0,1,0,0,0,0|2,0,0]=3 348 B13R1.3080 CNC(C)(C#N)Cc1ccccc1 Amb19001790 [0,1,0,0,0,0|3,0,0]=4 349 B13R1.3080 COC(C)(CN)Cc1ccccc1 Amb32954740 [0,1,0,0,0,0|2,0,0]=3 350 B13R1.3080 CSC(C)(C#N)Cc1ccccc1 Amb17595006 [0,1,0,0,0,0|2,1,0]=4 351 B13R2.27 C[C@H]1CCN1Cc2ccccc2 Amb27803765 [0,0,0,1,0,0|3,0,0]=4 352 B13R2.27 O=C1CCC1Cc2ccccc2 Amb27177755 [0,0,0,1,0,0|3,0,0]=4 353 B13R2.27 O=C1COC1Cc2ccccc2 Amb35789727 [0,0,0,1,0,0|2,0,0]=3 354 B13R2.27 OC1CCC1Cc2ccccc2 Amb33213493 [0,0,0,1,0,0|3,0,0]=4 355 B13R2.27 OC1CNC1Cc2ccccc2 Amb25960214 [0,0,0,1,0,0|3,0,0]=4 356 B13R2.27 OC1COC1Cc2ccccc2 Amb27972405 [0,0,0,1,0,0|2,0,0]=3 357 B13R2.27 OC1CO[C@H]1Cc2ccccc2 Amb27587820 [0,0,0,1,0,0|2,0,0]=3 358 B13R2.27 O[C@H]1CN[C@@H]1Cc2ccccc2 Amb26954864 [0,0,0,1,0,0|3,0,0]=4 359 B13R2.45 CC1c2ccccc2CC1C#N Amb35722776 [0,0,0,1,0,0|3,0,0]=4 360 B13R2.45 CC1c2ccccc2CC1CBr Amb29887219 [0,0,0,1,0,0|3,0,0]=4 361 B13R2.45 CC1c2ccccc2CC1CN Amb35672163 [0,0,0,1,0,0|3,0,0]=4 362 B13R2.45 CC1c2ccccc2CC1NN Amb29855809 [0,0,0,1,0,0|3,0,0]=4 363 B13R2.45 CC1c2ccccc2CC1NO Amb29855874 [0,0,0,1,0,0|3,0,0]=4 364 B13R2.45 CCC1Cc2ccccc2C1=O Amb4605959 [0,0,0,1,0,0|3,0,0]=4 365 B13R2.45 CCC1Cc2ccccc2C1Br Amb27588452 [0,0,0,1,0,0|3,0,0]=4 366 B13R2.45 CCC1Cc2ccccc2C1Cl Amb18186760 [0,0,0,1,0,0|3,0,0]=4 367 B13R2.45 CC[C@@H]1Cc2ccccc2C1=O Amb27262889 [0,0,0,1,0,0|3,0,0]=4 368 B13R2.45 CC[C@@H]1Nc2ccccc2[C@@H]1C Amb27965504 [0,0,0,1,0,0|3,0,0]=4 369 B13R2.45 CN1c2ccccc2C[C@H]1CO Amb27665539 [0,0,0,1,0,0|3,0,0]=4 370 B13R2.45 CNC1Cc2ccccc2C1C Amb29855873 [0,0,0,1,0,0|2,0,0]=3 371 B13R2.45 CNC1Cc2ccccc2C1O Amb18645898 [0,0,0,1,0,0|3,0,0]=4 372 B13R2.45 CN[C@@H]1Cc2ccccc2[C@H]1O Amb24056611 [0,0,0,1,0,0|3,0,0]=4 373 B13R2.45 CN[C@H]1Cc2ccccc2[C@@H]1O Amb9133996 [0,0,0,1,0,0|3,0,0]=4 374 B13R2.45 COC1Cc2ccccc2C1=O Amb24532698 [0,0,0,1,0,0|2,0,0]=3 375 B13R2.45 COC1Cc2ccccc2C1Cl Amb27178097 [0,0,0,1,0,0|2,0,0]=3 376 B13R2.45 COC1Cc2ccccc2C1N Amb1140146 [0,0,0,1,0,0|2,0,0]=3 377 B13R2.45 COC1Cc2ccccc2C1N Amb32656099 [0,0,0,1,0,0|2,0,0]=3 378 B13R2.45 COC1Cc2ccccc2C1O Amb18800787 [0,0,0,1,0,0|2,0,0]=3 379 B13R2.45 CO[C@@H]1Cc2ccccc2[C@@H]1Cl Amb27637752 [0,0,0,1,0,0|2,0,0]=3 380 B13R2.45 CO[C@@H]1Cc2ccccc2[C@@H]1O Amb27443198 [0,0,0,1,0,0|2,0,0]=3 381 B13R2.45 CO[C@@H]1Cc2ccccc2[C@H]1N Amb27238773 [0,0,0,1,0,0|2,0,0]=3 382 B13R2.45 CO[C@H]1Cc2ccccc2[C@@H]1Cl Amb28051829 [0,0,0,1,0,0|2,0,0]=3 383 B13R2.45 CO[C@H]1Cc2ccccc2[C@H]1N Amb24567956 [0,0,0,1,0,0|2,0,0]=3 384 B13R2.45 CO[C@H]1Cc2ccccc2[C@H]1N Amb32656192 [0,0,0,1,0,0|2,0,0]=3 385 B13R2.45 COc1sc2ccccc2c1C Amb27634358 [0,0,0,1,0,0|2,0,1]=4 386 B13R2.45 COn1nc2ccccc2c1C Amb27175614 [0,0,0,1,0,0|3,0,0]=4 387 B13R2.45 CSC1Cc2ccccc2C1=O Amb28054308 [0,0,0,1,0,0|2,1,0]=4 388 B13R2.45 CSC1Cc2ccccc2C1O Amb28127814 [0,0,0,1,0,0|2,1,0]=4 389 B13R2.45 C[C@@H]1c2ccccc2C[C@H]1CO Amb27653087 [0,0,0,1,0,0|3,0,0]=4 390 B13R2.45 C\N=C1\Cc2ccccc2N1C Amb27424054 [0,0,0,1,0,0|2,0,1]=4 391 B13R2.56 CCC1CNC1c2ccccc2 Amb27779050 [0,0,0,1,0,0|3,0,0]=4 392 B13R2.56 CNC1CCC1c2ccccc2 Amb27858960 [0,0,0,1,0,0|2,0,0]=3 393 B13R2.56 NCC1CCC1c2ccccc2 Amb27615402 [0,0,0,1,0,0|3,0,0]=4 394 B13R2.56 O=CC1CCC1c2ccccc2 Amb28290504 [0,0,0,1,0,0|3,0,0]=4 395 B13R2.56 O=C[C@@H]1CC[C@@H]1c2ccccc2 Amb26951878 [0,0,0,1,0,0|3,0,0]=4 396 B13R2.56 O=C[C@@H]1CC[C@H]1c2ccccc2 Amb26935631 [0,0,0,1,0,0|3,0,0]=4 397 B13R2.56 O=C[C@H]1CC[C@H]1c2ccccc2 Amb26388586 [0,0,0,1,0,0|3,0,0]=4 398 B13R2.56 OCC1CCC1c2ccccc2 Amb23453480 [0,0,0,1,0,0|3,0,0]=4 399 B13R2.56 OC[C@@H]1NC[C@H]1c2ccccc2 Amb35788435 [0,0,0,1,0,0|3,0,0]=4 400 B13R2.56 OC[C@@H]1NC[C@H]1c2ccccc2 Amb35788924 [0,0,0,1,0,0|3,0,0]=4 401 B13R2.57 BrCC1CCc2ccccc2C1 Amb22342463 [0,0,0,1,0,0|3,0,0]=4 402 B13R2.57 CCC1CCc2ccccc2C1 Amb25062921 [0,0,0,1,0,0|2,0,0]=3 403 B13R2.57 CCC1CCc2ccccc2N1 Amb20624014 [0,0,0,1,0,0|3,0,0]=4 404 B13R2.57 CCC1CNc2ccccc2C1 Amb5746016 [0,0,0,1,0,0|3,0,0]=4 405 B13R2.57 CCC1Cc2ccccc2CN1 Amb18947349 [0,0,0,1,0,0|2,0,0]=3 406 B13R2.57 CC[C@@H]1CCc2ccccc2S1 Amb27808538 [0,0,0,1,0,0|3,0,0]=4 407 B13R2.57 CNC1CCc2ccccc2C1 Amb22002469 [0,0,0,1,0,0|2,0,0]=3 408 B13R2.57 CNC1CCc2ccccc2C1 Amb9223264 [0,0,0,1,0,0|2,0,0]=3 409 B13R2.57 CNC1CCc2cccnc2C1 Amb27876709 [0,0,0,1,0,0|3,0,0]=4 410 B13R2.57 CNC1CNc2ccccc2C1 Amb27441098 [0,0,0,1,0,0|3,0,0]=4 411 B13R2.57 CNC1COc2ccccc2C1 Amb27643392 [0,0,0,1,0,0|3,0,0]=4 412 B13R2.57 CNC1CSc2ccccc2C1 Amb28143150 [0,0,0,1,0,0|3,0,0]=4 413 B13R2.57 CN[C@@H]1CNc2ccccc2C1 Amb22745775 [0,0,0,1,0,0|3,0,0]=4 414 B13R2.57 CN[C@@H]1CNc2ccccc2C1 Amb32405732 [0,0,0,1,0,0|3,0,0]=4 415 B13R2.57 CN[C@H]1CNc2ccccc2C1 Amb22232573 [0,0,0,1,0,0|3,0,0]=4 416 B13R2.57 COC1=Nc2ccccc2CC1 Amb27179706 [0,0,0,1,0,0|2,0,1]=4 417 B13R2.57 COC1CNc2ccccc2C1 Amb27878523 [0,0,0,1,0,0|2,0,0]=3 418 B13R2.57 ClCC1Cc2ccccc2CN1 Amb28343188 [0,0,0,1,0,0|3,0,0]=4 419 B13R2.57 ICC1CCc2ccccc2C1 Amb24483732 [0,0,0,1,0,0|3,0,0]=4 420 B13R2.57 N#CC1CCc2ccccc2C1 Amb17470402 [0,0,0,1,0,0|3,0,0]=4 421 B13R2.57 NCC1CCc2ccccc2C1 Amb17470427 [0,0,0,1,0,0|3,0,0]=4 422 B13R2.57 NCC1CCc2ccccc2C1 Amb19515414 [0,0,0,1,0,0|3,0,0]=4 423 B13R2.57 NCC1Cc2ccccc2CN1 Amb22753917 [0,0,0,1,0,0|3,0,0]=4 424 B13R2.57 NCC1Cc2ccccc2CN1 Amb8386092 [0,0,0,1,0,0|3,0,0]=4 425 B13R2.57 NCC1Cc2ccccc2CO1 Amb22232904 [0,0,0,1,0,0|2,0,0]=3 426 B13R2.57 NC[C@@H]1Cc2ccccc2CN1 Amb22232880 [0,0,0,1,0,0|3,0,0]=4 427 B13R2.57 NC[C@@H]1Cc2ccccc2CO1 Amb32668257 [0,0,0,1,0,0|2,0,0]=3 428 B13R2.57 NC[C@H]1Cc2ccccc2CN1 Amb22232877 [0,0,0,1,0,0|3,0,0]=4 429 B13R2.57 O=CC1CCc2ccccc2C1 Amb18645362 [0,0,0,1,0,0|3,0,0]=4 430 B13R2.57 OCC1CCc2ccccc2C1 Amb6360166 [0,0,0,1,0,0|3,0,0]=4 431 B13R2.57 OCC1Cc2ccccc2CN1 Amb2610634 [0,0,0,1,0,0|3,0,0]=4 432 B13R2.57 OCC1Cc2ccccc2CN1 Amb33527019 [0,0,0,1,0,0|3,0,0]=4 433 B13R2.57 OCC1Cc2ccccc2CO1 Amb22642212 [0,0,0,1,0,0|2,0,0]=3 434 B13R2.57 OCC1Cc2ccccc2C[NH2+]1 Amb33513031 [0,0,0,1,0,0|3,0,0]=4 435 B13R2.57 OC[C@@H]1Cc2ccccc2CN1 Amb2717718 [0,0,0,1,0,0|3,0,0]=4 436 B13R2.57 OC[C@@H]1Cc2ccccc2CO1 Amb32668348 [0,0,0,1,0,0|2,0,0]=3 437 B13R2.57 OC[C@H]1Cc2ccccc2CN1 Amb33620348 [0,0,0,1,0,0|3,0,0]=4 438 B13R2.57 OC[C@H]1Cc2ccccc2CN1 Amb8629036 [0,0,0,1,0,0|3,0,0]=4 439 B13R2.64 C1=C(Cc2ccccc2)NCC1 Amb17938862 [0,0,0,1,0,0|2,0,1]=4 440 B13R2.64 c1cc(CC2CCCN2)ccn1 Amb33338867 [0,0,0,1,0,0|3,0,0]=4 441 B13R2.64 c1cc(CC2CCCN2)ccn1 Amb3788167 [0,0,0,1,0,0|3,0,0]=4 442 B13R2.64 c1cc(C[C@H]2CCCN2)ccn1 Amb33249741 [0,0,0,1,0,0|3,0,0]=4 443 B13R2.64 c1cc(C[C@H]2CCCN2)ccn1 Amb33456443 [0,0,0,1,0,0|3,0,0]=4 444 B13R2.64 c1cc[n+](CC2CCCO2)cc1 Amb28061808 [0,0,0,1,0,0|2,0,0]=3 445 B13R2.64 c1ccc(CC2=NCCC2)cc1 Amb24053775 [0,0,0,1,0,0|2,0,1]=4 446 B13R2.64 c1ccc(CC2=NCCN2)cc1 Amb6334870 [0,0,0,1,0,0|2,0,1]=4 447 B13R2.64 c1ccc(CC2=NCCN2)cc1 Amb749611 [0,0,0,1,0,0|2,0,1]=4 448 B13R2.64 c1ccc(CC2=NCCO2)cc1 Amb2429421 [0,0,0,1,0,0|1,0,1]=3 449 B13R2.64 c1ccc(CC2=NCCS2)cc1 Amb28369846 [0,0,0,1,0,0|1,1,1]=4 450 B13R2.64 c1ccc(CC2CCCN2)cc1 Amb17659145 [0,0,0,1,0,0|2,0,0]=3 451 B13R2.64 c1ccc(CC2CCCN2)nc1 Amb2234788 [0,0,0,1,0,0|3,0,0]=4 452 B13R2.64 c1ccc(CC2CCNC2)cc1 Amb24097496 [0,0,0,1,0,0|3,0,0]=4 453 B13R2.64 c1ccc(CC2CCNC2)cc1 Amb3940960 [0,0,0,1,0,0|3,0,0]=4 454 B13R2.64 c1ccc(CC2CCOC2)cc1 Amb27770987 [0,0,0,1,0,0|3,0,0]=4 455 B13R2.64 c1ccc(CC2COCN2)cc1 Amb18563410 [0,0,0,1,0,0|3,0,0]=4 456 B13R2.64 c1ccc(CC2NCCO2)cc1 Amb17506176 [0,0,0,1,0,0|1,0,0]=2 457 B13R2.64 c1ccc(CC2OCCO2)cc1 Amb8517494 [0,0,0,1,0,0|0,0,0]=1 458 B13R2.64 c1ccc(CC2OCCO2)nc1 Amb24599565 [0,0,0,1,0,0|1,0,0]=2 459 B13R2.64 c1ccc(CN2CCCC2)cc1 Amb1829831 [0,0,0,1,0,0|3,0,0]=4 460 B13R2.64 c1ccc(C[C@@H]2CCCN2)cc1 Amb19883945 [0,0,0,1,0,0|2,0,0]=3 461 B13R2.64 c1ccc(C[C@@H]2CCCN2)cc1 Amb30586559 [0,0,0,1,0,0|2,0,0]=3 462 B13R2.64 c1ccc(C[C@@H]2CCCN2)nc1 Amb27769995 [0,0,0,1,0,0|3,0,0]=4 463 B13R2.64 c1ccc(C[C@H]2CCCN2)cc1 Amb27160705 [0,0,0,1,0,0|2,0,0]=3 464 B13R2.64 c1ccc(C[C@H]2CCCN2)cc1 Amb33877453 [0,0,0,1,0,0|2,0,0]=3 465 B13R2.64 c1ccc(C[C@H]2CCCN2)nc1 Amb28319351 [0,0,0,1,0,0|3,0,0]=4 466 B13R2.64 c1ccc(C[C@H]2COCN2)cc1 Amb27634861 [0,0,0,1,0,0|3,0,0]=4 467 B13R2.64 c1ccc(C[S+]2CCCC2)cc1 Amb24730066 [0,0,0,1,0,0|3,0,0]=4 468 B13R2.64 c1ccc(NC2=NCCO2)cc1 Amb25929780 [0,0,0,1,0,0|2,0,1]=4 469 B13R2.64 c1ccc(NC2CCCC2)cc1 Amb33527378 [0,0,0,1,0,0|3,0,0]=4 470 B13R2.64 c1ccc(NC2CCCO2)cc1 Amb27614715 [0,0,0,1,0,0|2,0,0]=3 471 B13R2.64 c1ccc(OC2CCCC2)cc1 Amb17672970 [0,0,0,1,0,0|3,0,0]=4 472 B13R2.64 c1ccc(OC2CCCO2)cc1 Amb22752483 [0,0,0,1,0,0|2,0,0]=3 473 B13R2.64 c1ccc(SC2CCCO2)cc1 Amb28042934 [0,0,0,1,0,0|2,0,0]=3 474 B13R2.64 c1cncc(CC2CCCN2)c1 Amb10068752 [0,0,0,1,0,0|3,0,0]=4 475 B13R2.64 c1cncc(CC2CCCN2)c1 Amb8009507 [0,0,0,1,0,0|3,0,0]=4 476 B13R2.101 BrCC1(Cc2ccccc2)CC1 Amb26938273 [0,0,0,1,0,0|3,0,0]=4 477 B13R2.101 C#CC1(Cc2ccccc2)CC1 Amb30869750 [0,0,0,1,0,0|2,0,1]=4 478 B13R2.101 CCC1(Cc2ccccc2)CO1 Amb25351735 [0,0,0,1,0,0|1,0,0]=2 479 B13R2.101 CCC1(Sc2ccccc2)CC1 Amb27194956 [0,0,0,1,0,0|3,0,0]=4 480 B13R2.101 CNC1(Cc2ccccc2)CC1 Amb24563805 [0,0,0,1,0,0|2,0,0]=3 481 B13R2.101 CNC1(Cc2ccccn2)CC1 Amb33360472 [0,0,0,1,0,0|3,0,0]=4 482 B13R2.101 CNC1(Cc2cccnc2)CC1 Amb33360036 [0,0,0,1,0,0|3,0,0]=4 483 B13R2.101 CNC1(Cc2ccncc2)CC1 Amb33380629 [0,0,0,1,0,0|3,0,0]=4 484 B13R2.101 ClCC1(Cc2ccccc2)CC1 Amb27642234 [0,0,0,1,0,0|3,0,0]=4 485 B13R2.101 NCC1(Cc2ccccc2)CC1 Amb18560535 [0,0,0,1,0,0|3,0,0]=4 486 B13R2.101 NCC1(Cc2ccccc2)CC1 Amb30592852 [0,0,0,1,0,0|3,0,0]=4 487 B13R2.101 O=CC1(Cc2ccccc2)CC1 Amb25739009 [0,0,0,1,0,0|3,0,0]=4 488 B13R2.101 OCC1(Cc2ccccc2)CC1 Amb25680722 [0,0,0,1,0,0|3,0,0]=4 489 B13R2.101 OC[C@]1(Cc2ccccc2)CO1 Amb27261715 [0,0,0,1,0,0|2,0,0]=3 490 B13R2.101 [C-]#[N+]C1(Cc2ccccc2)CC1 Amb27958795 [0,0,0,1,0,0|2,0,1]=4 491 B13R2.138 CC1C(C=O)C1c2ccccc2 Amb28388674 [0,0,0,1,0,0|3,0,0]=4 492 B13R2.138 CC1C(CN)C1c2ccccc2 Amb28286560 [0,0,0,1,0,0|3,0,0]=4 493 B13R2.138 C[C@@H]1[C@@H](CO)[C@@H]1c2ccccc2 Amb27194376 [0,0,0,1,0,0|3,0,0]=4 494 B13R2.138 C[C@@H]1[C@H](CO)[C@H]1c2ccccc2 Amb28350202 [0,0,0,1,0,0|3,0,0]=4 495 B13R2.138 C[C@H]1[C@@H](C=O)[C@@H]1c2ccccc2 Amb25302243 [0,0,0,1,0,0|3,0,0]=4 496 B11R1.12 C#CC(NC)c1ccccc1 Amb28072379 [0,0,0,0,1,0|2,0,1]=4 497 B11R1.12 C=CC(CC)c1ccccc1 Amb24485761 [0,0,0,0,1,0|2,0,1]=4 498 B11R1.12 CCC(C#N)c1ccccc1 Amb4136418 [0,0,0,0,1,0|3,0,0]=4 499 B11R1.12 CCC(C=O)c1ccccc1 Amb17138422 [0,0,0,0,1,0|3,0,0]=4 500 B11R1.12 CCC(CBr)c1ccccc1 Amb17241352 [0,0,0,0,1,0|3,0,0]=4 501 B11R1.12 CCC(CC)c1ccncc1 Amb6608936 [0,0,0,0,1,0|3,0,0]=4 502 B11R1.12 CCC(CCl)c1ccccc1 Amb8860571 [0,0,0,0,1,0|3,0,0]=4 503 B11R1.12 CCC(CI)c1ccccc1 Amb26060739 [0,0,0,0,1,0|3,0,0]=4 504 B11R1.12 CCC(CN)c1ccccc1 Amb2371100 [0,0,0,0,1,0|3,0,0]=4 505 B11R1.12 CCC(CN)c1ccccc1 Amb431023 [0,0,0,0,1,0|3,0,0]=4 506 B11R1.12 CCC(CO)c1ccccc1 Amb4019936 [0,0,0,0,1,0|3,0,0]=4 507 B11R1.12 CCC(NC)c1ccccc1 Amb22492401 [0,0,0,0,1,0|2,0,0]=3 508 B11R1.12 CCC(NC)c1ccccc1 Amb9705433 [0,0,0,0,1,0|2,0,0]=3 509 B11R1.12 CCC(NC)c1ccccn1 Amb10607918 [0,0,0,0,1,0|3,0,0]=4 510 B11R1.12 CCC(NC)c1cccnc1 Amb10607958 [0,0,0,0,1,0|3,0,0]=4 511 B11R1.12 CCC(NC)c1ccncc1 Amb18301849 [0,0,0,0,1,0|3,0,0]=4 512 B11R1.12 CCC(NN)c1ccccc1 Amb6245428 [0,0,0,0,1,0|3,0,0]=4 513 B11R1.12 CCN(CC)c1ccccc1 Amb10072363 [0,0,0,0,1,0|3,0,0]=4 514 B11R1.12 CCN(CC)c1ccccc1 Amb6608642 [0,0,0,0,1,0|3,0,0]=4 515 B11R1.12 CC[C@@H](C=O)c1ccccc1 Amb27169433 [0,0,0,0,1,0|3,0,0]=4 516 B11R1.12 CC[C@@H](CBr)c1ccccc1 Amb27839615 [0,0,0,0,1,0|3,0,0]=4 517 B11R1.12 CC[C@@H](CCl)c1ccccc1 Amb25250668 [0,0,0,0,1,0|3,0,0]=4 518 B11R1.12 CC[C@@H](CI)c1ccccc1 Amb26641610 [0,0,0,0,1,0|3,0,0]=4 519 B11R1.12 CC[C@@H](CO)c1ccccc1 Amb27219809 [0,0,0,0,1,0|3,0,0]=4 520 B11R1.12 CC[C@H](CCl)c1ccccc1 Amb27248249 [0,0,0,0,1,0|3,0,0]=4 521 B11R1.12 CC[C@H](CN)c1ccccc1 Amb26959455 [0,0,0,0,1,0|3,0,0]=4 522 B11R1.12 CC[C@H](NC)c1ccccc1 Amb27758866 [0,0,0,0,1,0|2,0,0]=3 523 B11R1.12 CNC(C#N)c1ccccc1 Amb17621643 [0,0,0,0,1,0|3,0,0]=4 524 B11R1.12 CNC(C#N)c1ccccc1 Amb9203732 [0,0,0,0,1,0|3,0,0]=4 525 B11R1.12 CNC(CN)c1ccccc1 Amb32661838 [0,0,0,0,1,0|3,0,0]=4 526 B11R1.12 CNC(CO)c1ccccc1 Amb18035932 [0,0,0,0,1,0|3,0,0]=4 527 B11R1.12 CNC(CS)c1ccccc1 Amb27945468 [0,0,0,0,1,0|3,0,0]=4 528 B11R1.12 CN[C@@H](CN)c1ccccc1 Amb27830229 [0,0,0,0,1,0|3,0,0]=4 529 B11R1.12 CN[C@H](C#N)c1ccccc1 Amb27242723 [0,0,0,0,1,0|3,0,0]=4 530 B11R1.12 CN[C@H](CO)c1ccccc1 Amb33871648 [0,0,0,0,1,0|3,0,0]=4 531 B11R1.12 COB(OC)c1ccccn1 Amb2456051 [0,0,0,0,1,0|2,0,0]=3 532 B11R1.12 COC(C#N)c1ccccc1 Amb26595696 [0,0,0,0,1,0|2,0,0]=3 533 B11R1.12 COC(C#N)c1ccncc1 Amb27603354 [0,0,0,0,1,0|3,0,0]=4 534 B11R1.12 COC(C=O)c1cccnc1 Amb27665895 [0,0,0,0,1,0|3,0,0]=4 535 B11R1.12 COC(C=O)c1ccncc1 Amb28368633 [0,0,0,0,1,0|3,0,0]=4 536 B11R1.12 COC(CBr)c1ccccc1 Amb24079930 [0,0,0,0,1,0|2,0,0]=3 537 B11R1.12 COC(CCl)c1ccccc1 Amb17674030 [0,0,0,0,1,0|2,0,0]=3 538 B11R1.12 COC(CI)c1ccccc1 Amb25998600 [0,0,0,0,1,0|2,0,0]=3 539 B11R1.12 COC(CN)c1ccccc1 Amb10609834 [0,0,0,0,1,0|2,0,0]=3 540 B11R1.12 COC(CN)c1ccccc1 Amb6892239 [0,0,0,0,1,0|2,0,0]=3 541 B11R1.12 COC(CN)c1cccnc1 Amb18980565 [0,0,0,0,1,0|3,0,0]=4 542 B11R1.12 COC(CO)c1ccccc1 Amb3939163 [0,0,0,0,1,0|2,0,0]=3 543 B11R1.12 COC(OC)c1ccccc1 Amb6297219 [0,0,0,0,1,0|0,0,0]=1 544 B11R1.12 COC(OC)c1ccncn1 Amb6892097 [0,0,0,0,1,0|2,0,0]=3 545 B11R1.12 COC(OC)c1ccnnc1 Amb23560297 [0,0,0,0,1,0|2,0,0]=3 546 B11R1.12 COC(OC)c1ncccn1 Amb22751412 [0,0,0,0,1,0|2,0,0]=3 547 B11R1.12 COP(OC)c1ccccc1 Amb6365796 [0,0,0,0,1,0|1,0,0]=2 548 B11R1.12 CO[C@@H](CBr)c1ccccc1 Amb28428431 [0,0,0,0,1,0|2,0,0]=3 549 B11R1.12 CO[C@@H](CN)c1ccccc1 Amb28249989 [0,0,0,0,1,0|2,0,0]=3 550 B11R1.12 CO[C@H](C=O)c1ccccc1 Amb27455008 [0,0,0,0,1,0|2,0,0]=3 551 B11R1.12 CO[C@H](CO)c1ccccc1 Amb10807423 [0,0,0,0,1,0|2,0,0]=3 552 B11R1.12 CSC(C=O)c1ccccc1 Amb18646623 [0,0,0,0,1,0|2,1,0]=4 553 B11R1.12 C\C=C(/CC)c1ccccc1 Amb26588977 [0,0,0,0,1,0|2,0,1]=4 554 B11R1.12 C\C=C(\CC)c1ccccc1 Amb26421595 [0,0,0,0,1,0|2,0,1]=4 555 B11R1.12 C\N=C(/NC)c1ccccc1 Amb8487310 [0,0,0,0,1,0|2,0,1]=4 556 B11R1.12 C\N=C(/SC)c1ccccc1 Amb32718735 [0,0,0,0,1,0|1,1,1]=4 557 B11R1.12 NOC(CO)c1ccccc1 Amb28321529 [0,0,0,0,1,0|3,0,0]=4 558 B11R1.12 NO[C@H](CO)c1ccccc1 Amb27835967 [0,0,0,0,1,0|3,0,0]=4 559 B11R1.12 [C-]#[N+]C(CC)c1ccccc1 Amb33732679 [0,0,0,0,1,0|2,0,1]=4 560 B11R1.12 [C-]#[N+][C@@H](CC)c1ccccc1 Amb33747511 [0,0,0,0,1,0|2,0,1]=4 561 B11R1.12 [C-]#[N+][C@H](CC)c1ccccc1 Amb33732680 [0,0,0,0,1,0|2,0,1]=4 562 B11R1.84 CCC(CC)Cn1cccc1 Amb27671470 [0,0,0,0,1,0|3,0,0]=4 563 B11R1.84 CCC(Cc1ccco1)NC Amb27986282 [0,0,0,0,1,0|3,0,0]=4 564 B11R1.84 CCC(Cc1ccoc1)NC Amb27986281 [0,0,0,0,1,0|3,0,0]=4 565 B11R1.84 CCC(Cn1cccc1)OC Amb27989043 [0,0,0,0,1,0|2,0,0]=3 566 B11R1.84 CCC(Cn1cccn1)OC Amb28079672 [0,0,0,0,1,0|3,0,0]=4 567 B11R1.84 CCC(Cn1ccnc1)OC Amb28079671 [0,0,0,0,1,0|3,0,0]=4 568 B11R1.84 COC(CCl)Cn1cccc1 Amb27990130 [0,0,0,0,1,0|3,0,0]=4 569 B11R1.84 COC(Cc1ccon1)OC Amb24763022 [0,0,0,0,1,0|2,0,0]=3 570 B11R1.84 COC(Cn1cccc1)OC Amb6384216 [0,0,0,0,1,0|1,0,0]=2 571 B11R1.84 COC(Cn1cccn1)OC Amb27269758 [0,0,0,0,1,0|2,0,0]=3 572 B11R1.84 COC(Cn1ccnc1)OC Amb27670842 [0,0,0,0,1,0|2,0,0]=3 573 B11R1.84 COC(Cn1cncn1)OC Amb27269759 [0,0,0,0,1,0|3,0,0]=4 574 B13R1.417 C#CC(CC)NCc1ccccc1 Amb28137902 [0,0,0,0,0,1|2,0,1]=4 575 B13R1.417 C=C[C@H](CC)NCc1ccccc1 Amb27760324 [0,0,0,0,0,1|2,0,1]=4 576 B13R1.417 CCC(C#Cc1ccccc1)NC Amb27862793 [0,0,0,0,0,1|2,0,1]=4 577 B13R1.417 CCC(C#N)OCc1ccccc1 Amb18804358 [0,0,0,0,0,1|3,0,0]=4 578 B13R1.417 CCC(CC)CNc1cccnc1 Amb6686511 [0,0,0,0,0,1|3,0,0]=4 579 B13R1.417 CCC(CC)NCc1ccccc1 Amb22587066 [0,0,0,0,0,1|2,0,0]=3 580 B13R1.417 CCC(CC)NCc1ccccc1 Amb6687395 [0,0,0,0,0,1|2,0,0]=3 581 B13R1.417 CCC(CC)NCc1ccccn1 Amb6699094 [0,0,0,0,0,1|3,0,0]=4 582 B13R1.417 CCC(CC)NCc1cccnc1 Amb6686331 [0,0,0,0,0,1|3,0,0]=4 583 B13R1.417 CCC(CO)NCc1ccccc1 Amb837569 [0,0,0,0,0,1|3,0,0]=4 584 B13R1.417 CC[C@@H](CO)NCc1ccccc1 Amb24107894 [0,0,0,0,0,1|3,0,0]=4 585 B13R1.417 CC[C@H](C=O)OCc1ccccc1 Amb27667119 [0,0,0,0,0,1|3,0,0]=4 586 B13R1.417 CC[C@H](CO)NCc1ccccc1 Amb2792692 [0,0,0,0,0,1|3,0,0]=4 587 B13R1.417 CNC(C#N)COc1ccccc1 Amb17076620 [0,0,0,0,0,1|3,0,0]=4 588 B13R1.417 CN\C(=C\Cc1ccccc1)OC Amb27947297 [0,0,0,0,0,1|1,0,1]=3 589 B13R1.417 COC(=CCc1ccccc1)OC Amb22546894 [0,0,0,0,0,1|0,0,1]=2 590 B13R1.417 COC(CNc1ccccc1)OC Amb30633759 [0,0,0,0,0,1|0,0,0]=1 591 B13R1.417 COC(CSc1ccccc1)OC Amb32683171 [0,0,0,0,0,1|0,0,0]=1 592 B13R1.417 C\N=C(/NC)NCc1ccccc1 Amb31031036 [0,0,0,0,0,1|2,0,1]=4 593 B13R1.417 C\N=C(\CCc1ccccc1)NC Amb25155427 [0,0,0,0,0,1|2,0,1]=4 594 B13R1.417 C\N=C(\NC)SCc1ccccc1 Amb27441733 [0,0,0,0,0,1|2,0,1]=4 595 B10R1.17 BrCCCc1ccccc1 Amb2721516 [2,0,0,0,0,0|2,0,0]=4 596 B10R1.17 Br[Mg]CCc1ccccc1 Amb22000585 [2,0,0,0,0,0|2,0,0]=4 597 B10R1.17 C#CCCc1ccccc1 Amb6336492 [2,0,0,0,0,0|1,0,1]=4 598 B10R1.17 C=CCCc1ccccc1 Amb2721241 [2,0,0,0,0,0|1,0,1]=4 599 B10R1.17 CCCC[n+]1ccccc1 Amb8393211 [2,0,0,0,0,0|2,0,0]=4 600 B10R1.17 CCCC[n+]1ccccc1 Amb8516223 [2,0,0,0,0,0|2,0,0]=4 601 B10R1.17 CCCC[n+]1ccccc1 Amb8516227 [2,0,0,0,0,0|2,0,0]=4 602 B10R1.17 CCCC[n+]1ccccc1 Amb8516263 [2,0,0,0,0,0|2,0,0]=4 603 B10R1.17 CCCCc1ccccc1 Amb6608912 [2,0,0,0,0,0|1,0,0]=3 604 B10R1.17 CCCCc1ccccn1 Amb8395993 [2,0,0,0,0,0|2,0,0]=4 605 B10R1.17 CCCCc1cccnc1 Amb4037068 [2,0,0,0,0,0|2,0,0]=4 606 B10R1.17 CCCCc1ccncc1 Amb10555008 [2,0,0,0,0,0|2,0,0]=4 607 B10R1.17 CCCNc1ccccc1 Amb534130 [2,0,0,0,0,0|2,0,0]=4 608 B10R1.17 CCCOc1ccccc1 Amb2842271 [2,0,0,0,0,0|2,0,0]=4 609 B10R1.17 CCCSc1ccccc1 Amb4014460 [2,0,0,0,0,0|2,0,0]=4 610 B10R1.17 CCNCc1ccccc1 Amb3699539 [2,0,0,0,0,0|2,0,0]=4 611 B10R1.17 CCOCc1ccccc1 Amb9787555 [2,0,0,0,0,0|2,0,0]=4 612 B10R1.17 CCSCc1ccccc1 Amb9787636 [2,0,0,0,0,0|2,0,0]=4 613 B10R1.17 CNCCc1ccccc1 Amb1132990 [2,0,0,0,0,0|1,0,0]=3 614 B10R1.17 CNCCc1ccccc1 Amb33545919 [2,0,0,0,0,0|1,0,0]=3 615 B10R1.17 CNCCc1ccccn1 Amb1651624 [2,0,0,0,0,0|2,0,0]=4 616 B10R1.17 CNCCc1ccccn1 Amb22167479 [2,0,0,0,0,0|2,0,0]=4 617 B10R1.17 CNCCc1ccccn1 Amb6741463 [2,0,0,0,0,0|2,0,0]=4 618 B10R1.17 CNCCc1cccnc1 Amb10068754 [2,0,0,0,0,0|2,0,0]=4 619 B10R1.17 CNCCc1cccnc1 Amb10576410 [2,0,0,0,0,0|2,0,0]=4 620 B10R1.17 CNCCc1ccncc1 Amb10071184 [2,0,0,0,0,0|2,0,0]=4 621 B10R1.17 CNCCc1ccncc1 Amb19958269 [2,0,0,0,0,0|2,0,0]=4 622 B10R1.17 CNCCc1ccncc1 Amb2592519 [2,0,0,0,0,0|2,0,0]=4 623 B10R1.17 CNNCc1ccccc1 Amb26859422 [2,0,0,0,0,0|2,0,0]=4 624 B10R1.17 CNNCc1ccccc1 Amb33328543 [2,0,0,0,0,0|2,0,0]=4 625 B10R1.17 CNOCc1ccccc1 Amb22059601 [2,0,0,0,0,0|2,0,0]=4 626 B10R1.17 CNOCc1ccccc1 Amb32412803 [2,0,0,0,0,0|2,0,0]=4 627 B10R1.17 COCC[n+]1ccccc1 Amb28125435 [2,0,0,0,0,0|1,0,0]=3 628 B10R1.17 COCCc1ccccc1 Amb4020014 [2,0,0,0,0,0|0,0,0]=2 629 B10R1.17 COCCc1ccccn1 Amb4034583 [2,0,0,0,0,0|1,0,0]=3 630 B10R1.17 COCCc1ccncc1 Amb26565974 [2,0,0,0,0,0|1,0,0]=3 631 B10R1.17 COCOc1ccccc1 Amb2608594 [2,0,0,0,0,0|1,0,0]=3 632 B10R1.17 COCOc1ccccn1 Amb27757113 [2,0,0,0,0,0|2,0,0]=4 633 B10R1.17 CONCc1ccccc1 Amb26432339 [2,0,0,0,0,0|1,0,0]=3 634 B10R1.17 CO\C=C\c1ccccc1 Amb22002452 [2,0,0,0,0,0|0,0,2]=4 635 B10R1.17 CO\C=N\c1ccccc1 Amb6297410 [2,0,0,0,0,0|1,0,1]=4 636 B10R1.17 CSCCc1ccccc1 Amb26586093 [2,0,0,0,0,0|0,1,0]=3 637 B10R1.17 CSCCc1ccccn1 Amb24552366 [2,0,0,0,0,0|1,1,0]=4 638 B10R1.17 CSCNc1ccccc1 Amb25992690 [2,0,0,0,0,0|1,1,0]=4 639 B10R1.17 CSCOc1ccccc1 Amb22231357 [2,0,0,0,0,0|1,1,0]=4 640 B10R1.17 C\C=C\Cc1ccccc1 Amb4035140 [2,0,0,0,0,0|1,0,1]=4 641 B10R1.17 ClCCCc1ccccc1 Amb3941487 [2,0,0,0,0,0|2,0,0]=4 642 B10R1.17 ICCCc1ccccc1 Amb10605506 [2,0,0,0,0,0|2,0,0]=4 643 B10R1.17 N#CCCc1ccccc1 Amb33551192 [2,0,0,0,0,0|2,0,0]=4 644 B10R1.17 NCCCc1ccccc1 Amb844788 [2,0,0,0,0,0|2,0,0]=4 645 B10R1.17 NNCCc1ccccc1 Amb10608987 [2,0,0,0,0,0|2,0,0]=4 646 B10R1.17 NNCCc1ccccc1 Amb1117029 [2,0,0,0,0,0|2,0,0]=4 647 B10R1.17 NNCCc1ccccc1 Amb33552804 [2,0,0,0,0,0|2,0,0]=4 648 B10R1.17 NOCCc1ccccc1 Amb2899735 [2,0,0,0,0,0|1,0,0]=3 649 B10R1.17 NOCCc1ccccc1 Amb6308543 [2,0,0,0,0,0|1,0,0]=3 650 B10R1.17 NOCCc1ccccn1 Amb17231907 [2,0,0,0,0,0|2,0,0]=4 651 B10R1.17 NOCCc1cccnc1 Amb25779030 [2,0,0,0,0,0|2,0,0]=4 652 B10R1.17 NOCCc1ccncc1 Amb17231908 [2,0,0,0,0,0|2,0,0]=4 653 B10R1.17 O=CCCc1ccccc1 Amb2720576 [2,0,0,0,0,0|2,0,0]=4 654 B10R1.17 OCCCc1ccccc1 Amb3939054 [2,0,0,0,0,0|2,0,0]=4 655 B10R1.17 ONCCc1ccccc1 Amb33544180 [2,0,0,0,0,0|2,0,0]=4 656 B10R1.17 SCCCc1ccccc1 Amb6255807 [2,0,0,0,0,0|2,0,0]=4 657 B10R1.17 [C-]#[N+]CCc1ccccc1 Amb1981030 [2,0,0,0,0,0|1,0,1]=4 658 B10R1.17 [SiH3]CCCc1ccccc1 Amb22347053 [2,0,0,0,0,0|1,1,0]=4 659 B10R1.18 BrC(Br)Cc1ccccc1 Amb28049679 [2,0,0,0,0,0|2,0,0]=4 660 B10R1.18 CC(=O)Cc1ccccc1 Amb4136401 [2,0,0,0,0,0|0,0,2]=4 661 B10R1.18 CC(Br)Cc1ccccc1 Amb3940198 [2,0,0,0,0,0|1,0,0]=3 662 B10R1.18 CC(Br)Cc1ccccn1 Amb27424955 [2,0,0,0,0,0|2,0,0]=4 663 B10R1.18 CC(Br)Cc1ccncc1 Amb33506239 [2,0,0,0,0,0|2,0,0]=4 664 B10R1.18 CC(C)=Cc1ccccc1 Amb6296059 [2,0,0,0,0,0|0,0,2]=4 665 B10R1.18 CC(C)C[n+]1ccccc1 Amb28189122 [2,0,0,0,0,0|1,0,0]=3 666 B10R1.18 CC(C)Cc1ccccc1 Amb2778549 [2,0,0,0,0,0|0,0,0]=2 667 B10R1.18 CC(C)Cc1ccccn1 Amb15691003 [2,0,0,0,0,0|1,0,0]=3 668 B10R1.18 CC(C)Cc1cccnc1 Amb22043313 [2,0,0,0,0,0|1,0,0]=3 669 B10R1.18 CC(C)Cc1ccncc1 Amb2613008 [2,0,0,0,0,0|1,0,0]=3 670 B10R1.18 CC(C)Cc1ccncn1 Amb24070388 [2,0,0,0,0,0|2,0,0]=4 671 B10R1.18 CC(C)Nc1ccccc1 Amb2720884 [2,0,0,0,0,0|1,0,0]=3 672 B10R1.18 CC(C)Nc1ccccn1 Amb1104052 [2,0,0,0,0,0|2,0,0]=4 673 B10R1.18 CC(C)Nc1cccnc1 Amb16231494 [2,0,0,0,0,0|2,0,0]=4 674 B10R1.18 CC(C)Nc1cccnc1 Amb2382996 [2,0,0,0,0,0|2,0,0]=4 675 B10R1.18 CC(C)Nc1ccncc1 Amb16231495 [2,0,0,0,0,0|2,0,0]=4 676 B10R1.18 CC(C)Oc1ccccc1 Amb3429104 [2,0,0,0,0,0|1,0,0]=3 677 B10R1.18 CC(C)Oc1ccccn1 Amb22304705 [2,0,0,0,0,0|2,0,0]=4 678 B10R1.18 CC(C)Oc1cccnc1 Amb22898896 [2,0,0,0,0,0|2,0,0]=4 679 B10R1.18 CC(C)Oc1ccncc1 Amb20242496 [2,0,0,0,0,0|2,0,0]=4 680 B10R1.18 CC(C)Sc1ccccc1 Amb5721900 [2,0,0,0,0,0|1,0,0]=3 681 B10R1.18 CC(N)Cc1ccccc1 Amb17608372 [2,0,0,0,0,0|1,0,0]=3 682 B10R1.18 CC(N)Cc1ccccc1 Amb4079275 [2,0,0,0,0,0|1,0,0]=3 683 B10R1.18 CC(N)Cc1ccccn1 Amb1995149 [2,0,0,0,0,0|2,0,0]=4 684 B10R1.18 CC(N)Cc1cccnc1 Amb9712156 [2,0,0,0,0,0|2,0,0]=4 685 B10R1.18 CC(N)Cc1ccncc1 Amb2592094 [2,0,0,0,0,0|2,0,0]=4 686 B10R1.18 CC(O)CC1C=CC=CN1 Amb27431152 [2,0,0,0,0,0|1,0,1]=4 687 B10R1.18 CC(O)C[n+]1ccccc1 Amb27213830 [2,0,0,0,0,0|1,0,0]=3 688 B10R1.18 CC(O)Cc1ccccc1 Amb3940116 [2,0,0,0,0,0|0,0,0]=2 689 B10R1.18 CC(O)Cc1ccccn1 Amb1995148 [2,0,0,0,0,0|1,0,0]=3 690 B10R1.18 CC(O)Cc1cccnc1 Amb33530732 [2,0,0,0,0,0|1,0,0]=3 691 B10R1.18 CC(O)Cc1ccncc1 Amb17477789 [2,0,0,0,0,0|1,0,0]=3 692 B10R1.18 CC(O)Cc1ccncn1 Amb33474836 [2,0,0,0,0,0|2,0,0]=4 693 B10R1.18 CC(O)Cc1cnccn1 Amb1995175 [2,0,0,0,0,0|2,0,0]=4 694 B10R1.18 CC(O)Cc1cncnc1 Amb33465647 [2,0,0,0,0,0|2,0,0]=4 695 B10R1.18 CC(O)Cc1ncccn1 Amb33295171 [2,0,0,0,0,0|2,0,0]=4 696 B10R1.18 CC(O)Nc1ccccc1 Amb27771797 [2,0,0,0,0,0|1,0,0]=3 697 B10R1.18 CC(O)Oc1ccccc1 Amb27838966 [2,0,0,0,0,0|1,0,0]=3 698 B10R1.18 CC(S)Cc1ccccc1 Amb18177239 [2,0,0,0,0,0|0,1,0]=3 699 B10R1.18 CN(C)Cc1ccccc1 Amb6608891 [2,0,0,0,0,0|1,0,0]=3 700 B10R1.18 CN(C)Cc1ccccn1 Amb4010724 [2,0,0,0,0,0|2,0,0]=4 701 B10R1.18 CN(C)Cc1cccnc1 Amb2694185 [2,0,0,0,0,0|2,0,0]=4 702 B10R1.18 CN(C)Cc1ccncc1 Amb20247602 [2,0,0,0,0,0|2,0,0]=4 703 B10R1.18 CN(C)Sc1ccccc1 Amb28388759 [2,0,0,0,0,0|2,0,0]=4 704 B10R1.18 CN(N)Cc1ccccc1 Amb836790 [2,0,0,0,0,0|2,0,0]=4 705 B10R1.18 CN(O)Cc1ccccc1 Amb27149097 [2,0,0,0,0,0|1,0,0]=3 706 B10R1.18 CN(O)Cc1ccccn1 Amb33361076 [2,0,0,0,0,0|2,0,0]=4 707 B10R1.18 CN(O)Cc1cccnc1 Amb33429419 [2,0,0,0,0,0|2,0,0]=4 708 B10R1.18 CN(O)Cc1ccncc1 Amb33380608 [2,0,0,0,0,0|2,0,0]=4 709 B10R1.18 CP(C)Cc1ccccc1 Amb26928754 [2,0,0,0,0,0|1,0,0]=3 710 B10R1.18 CS(=O)Cc1ccccc1 Amb10565296 [2,0,0,0,0,0|1,0,1]=4 711 B10R1.18 C[C@@H](Br)Cc1ccccc1 Amb28182471 [2,0,0,0,0,0|1,0,0]=3 712 B10R1.18 C[C@@H](Cl)Cc1ccccc1 Amb8389890 [2,0,0,0,0,0|1,0,0]=3 713 B10R1.18 C[C@@H](I)Cc1ccccc1 Amb27199901 [2,0,0,0,0,0|1,0,0]=3 714 B10R1.18 C[C@@H](N)Cc1ccccn1 Amb27754695 [2,0,0,0,0,0|2,0,0]=4 715 B10R1.18 C[C@@H](N)Cc1cccnc1 Amb26602572 [2,0,0,0,0,0|2,0,0]=4 716 B10R1.18 C[C@@H](N)Cc1ccncc1 Amb28044876 [2,0,0,0,0,0|2,0,0]=4 717 B10R1.18 C[C@@H](O)Cc1ccccc1 Amb17938083 [2,0,0,0,0,0|0,0,0]=2 718 B10R1.18 C[C@@H](O)Cc1ccccn1 Amb27839538 [2,0,0,0,0,0|1,0,0]=3 719 B10R1.18 C[C@@H](O)Cc1cccnc1 Amb22896922 [2,0,0,0,0,0|1,0,0]=3 720 B10R1.18 C[C@@H](O)Cc1ccncc1 Amb33380651 [2,0,0,0,0,0|1,0,0]=3 721 B10R1.18 C[C@@H](O)Cc1ccncn1 Amb33268593 [2,0,0,0,0,0|2,0,0]=4 722 B10R1.18 C[C@@H](O)Cc1cnccn1 Amb33359974 [2,0,0,0,0,0|2,0,0]=4 723 B10R1.18 C[C@@H](O)Cc1cncnc1 Amb33149176 [2,0,0,0,0,0|2,0,0]=4 724 B10R1.18 C[C@@H](O)Cc1ncccn1 Amb33270391 [2,0,0,0,0,0|2,0,0]=4 725 B10R1.18 C[C@H](Br)Cc1ccccc1 Amb27484166 [2,0,0,0,0,0|1,0,0]=3 726 B10R1.18 C[C@H](I)Cc1ccccc1 Amb27635996 [2,0,0,0,0,0|1,0,0]=3 727 B10R1.18 C[C@H](N)Cc1ccccc1 Amb8395458 [2,0,0,0,0,0|1,0,0]=3 728 B10R1.18 C[C@H](N)Cc1ccccn1 Amb24451425 [2,0,0,0,0,0|2,0,0]=4 729 B10R1.18 C[C@H](N)Cc1cccnc1 Amb27145739 [2,0,0,0,0,0|2,0,0]=4 730 B10R1.18 C[C@H](N)Cc1ccncc1 Amb28381274 [2,0,0,0,0,0|2,0,0]=4 731 B10R1.18 C[C@H](O)Cc1ccccc1 Amb10068519 [2,0,0,0,0,0|0,0,0]=2 732 B10R1.18 C[C@H](O)Cc1ccccn1 Amb26605951 [2,0,0,0,0,0|1,0,0]=3 733 B10R1.18 C[C@H](O)Cc1cccnc1 Amb28041599 [2,0,0,0,0,0|1,0,0]=3 734 B10R1.18 C[C@H](O)Cc1ccncc1 Amb33380652 [2,0,0,0,0,0|1,0,0]=3 735 B10R1.18 C[C@H](O)Cc1ccncn1 Amb33268594 [2,0,0,0,0,0|2,0,0]=4 736 B10R1.18 C[C@H](O)Cc1cnccn1 Amb33359975 [2,0,0,0,0,0|2,0,0]=4 737 B10R1.18 C[C@H](O)Cc1cncnc1 Amb33149177 [2,0,0,0,0,0|2,0,0]=4 738 B10R1.18 C[C@H](O)Cc1ncccn1 Amb33270392 [2,0,0,0,0,0|2,0,0]=4 739 B10R1.18 C[SiH](C)Cc1ccccc1 Amb19893554 [2,0,0,0,0,0|0,1,0]=3 740 B10R1.18 C[Si](C)Cc1ccccc1 Amb24527863 [2,0,0,0,0,0|0,1,0]=3 741 B10R1.18 C\C(O)=C/c1ccccc1 Amb24095309 [2,0,0,0,0,0|0,0,2]=4 742 B10R1.18 ClC(Cl)Cc1ccccc1 Amb25783924 [2,0,0,0,0,0|2,0,0]=4 743 B10R1.18 NC(N)Cc1ccccc1 Amb27823264 [2,0,0,0,0,0|2,0,0]=4 744 B10R1.18 NC(O)Cc1ccccc1 Amb25348475 [2,0,0,0,0,0|1,0,0]=3 745 B10R1.18 O=C(O)Cc1ccccc1 Amb6461144 [2,0,0,0,0,0|0,0,2]=4 746 B10R1.18 O=S(O)Cc1ccccc1 Amb27872793 [2,0,0,0,0,0|1,0,1]=4 747 B10R1.18 O=[PH](O)Cc1ccccc1 Amb24617740 [2,0,0,0,0,0|1,0,1]=4 748 B10R1.18 OB(O)Cc1ccccc1 Amb10071580 [2,0,0,0,0,0|1,0,0]=3 749 B10R1.18 OB(O)Nc1ccccc1 Amb27630373 [2,0,0,0,0,0|2,0,0]=4 750 B10R1.18 OC(=S)Cc1ccccc1 Amb22262974 [2,0,0,0,0,0|0,1,1]=4 751 B10R1.18 OC(Cl)Cc1ccccc1 Amb27228646 [2,0,0,0,0,0|1,0,0]=3 752 B10R1.18 OC(Cl)Oc1ccccc1 Amb28255528 [2,0,0,0,0,0|2,0,0]=4 753 B10R1.18 OC(F)Cc1ccccc1 Amb25147731 [2,0,0,0,0,0|1,0,0]=3 754 B10R1.18 OC(O)Oc1ccccc1 Amb27790325 [2,0,0,0,0,0|1,0,0]=3 755 B12R1.32 C#CCC(O)Cc1ccccc1 Amb18800362 [1,1,0,0,0,0|1,0,1]=4 756 B12R1.32 C=CCC(O)Cc1ccccc1 Amb18177786 [1,1,0,0,0,0|1,0,1]=4 757 B12R1.32 CC#CC(C)Oc1ccccc1 Amb25964142 [1,1,0,0,0,0|2,0,0]=4 758 B12R1.32 CC#CC(Cl)Cc1ccccc1 Amb27232835 [1,1,0,0,0,0|2,0,0]=4 759 B12R1.32 CC#CC(O)Cc1ccccc1 Amb4034860 [1,1,0,0,0,0|1,0,0]=3 760 B12R1.32 CC(CCN)Cc1ccccc1 Amb17232439 [1,1,0,0,0,0|1,0,0]=3 761 B12R1.32 CC(CCN)Oc1ccccc1 Amb17232556 [1,1,0,0,0,0|2,0,0]=4 762 B12R1.32 CC(CCO)Cc1ccccc1 Amb17232486 [1,1,0,0,0,0|1,0,0]=3 763 B12R1.32 CC(CCO)Oc1ccccc1 Amb17232598 [1,1,0,0,0,0|2,0,0]=4 764 B12R1.32 CC(CON)Cc1ccccc1 Amb32953166 [1,1,0,0,0,0|1,0,0]=3 765 B12R1.32 CC(Cc1ccccc1)N=C=O Amb17103991 [1,1,0,0,0,0|1,0,1]=4 766 B12R1.32 CC(Cc1ccccc1)N=C=S Amb18790890 [1,1,0,0,0,0|1,0,1]=4 767 B12R1.32 CC(Cc1ccccc1)NC=O Amb8503525 [1,1,0,0,0,0|1,0,1]=4 768 B12R1.32 CCCC(C)Nc1ccccc1 Amb6685188 [1,1,0,0,0,0|2,0,0]=4 769 B12R1.32 CCCC(N)Cc1ccccc1 Amb18180073 [1,1,0,0,0,0|2,0,0]=4 770 B12R1.32 CCNC(C)Cc1ccccc1 Amb18552940 [1,1,0,0,0,0|1,0,0]=3 771 B12R1.32 CCNC(C)Cc1ccccn1 Amb1995151 [1,1,0,0,0,0|2,0,0]=4 772 B12R1.32 CCOC(=N)Cc1ccccc1 Amb20673132 [1,1,0,0,0,0|1,0,1]=4 773 B12R1.32 CCOC(=N)Cc1ccccc1 Amb2612454 [1,1,0,0,0,0|1,0,1]=4 774 B12R1.32 CCOC(=O)Cc1ccccc1 Amb3940130 [1,1,0,0,0,0|0,0,2]=4 775 B12R1.32 CCO\C(C)=N\c1ccccc1 Amb17939699 [1,1,0,0,0,0|1,0,1]=4 776 B12R1.32 CN(CCBr)Cc1ccccc1 Amb24357900 [1,1,0,0,0,0|2,0,0]=4 777 B12R1.32 CN(CCBr)Cc1ccccc1 Amb32882453 [1,1,0,0,0,0|2,0,0]=4 778 B12R1.32 CN(CCCl)Cc1ccccc1 Amb19895292 [1,1,0,0,0,0|2,0,0]=4 779 B12R1.32 CN(CCCl)Cc1ccccc1 Amb3940690 [1,1,0,0,0,0|2,0,0]=4 780 B12R1.32 CN(CCN)Cc1ccccc1 Amb5357836 [1,1,0,0,0,0|2,0,0]=4 781 B12R1.32 CN(CCO)Cc1ccccc1 Amb3938987 [1,1,0,0,0,0|2,0,0]=4 782 B12R1.32 CN(CCS)Cc1ccccc1 Amb13881720 [1,1,0,0,0,0|2,0,0]=4 783 B12R1.32 CNCC(C)Cc1ccccc1 Amb19023878 [1,1,0,0,0,0|1,0,0]=3 784 B12R1.32 CNCC(C)Nc1ccccc1 Amb27955315 [1,1,0,0,0,0|2,0,0]=4 785 B12R1.32 CNCC(N)Cc1ccccc1 Amb19009730 [1,1,0,0,0,0|2,0,0]=4 786 B12R1.32 CNCC(O)Cc1ccccc1 Amb17193901 [1,1,0,0,0,0|1,0,0]=3 787 B12R1.32 CNCC(O)Cc1ccccc1 Amb32661172 [1,1,0,0,0,0|1,0,0]=3 788 B12R1.32 CNCC(O)Cc1cccnc1 Amb17232605 [1,1,0,0,0,0|2,0,0]=4 789 B12R1.32 COCC(=O)Cc1ccccc1 Amb9665963 [1,1,0,0,0,0|0,0,2]=4 790 B12R1.32 COCC(C)Nc1ccccc1 Amb19024307 [1,1,0,0,0,0|1,0,0]=3 791 B12R1.32 COCC(C)Nc1cccnc1 Amb19024143 [1,1,0,0,0,0|2,0,0]=4 792 B12R1.32 COCC(C)Nc1ccncc1 Amb6614428 [1,1,0,0,0,0|2,0,0]=4 793 B12R1.32 COCC(N)Cc1ccccc1 Amb20623561 [1,1,0,0,0,0|1,0,0]=3 794 B12R1.32 COC[C@@H](C)Nc1ccccn1 Amb28398735 [1,1,0,0,0,0|2,0,0]=4 795 B12R1.32 COC[C@@H](N)Cc1ccccc1 Amb3940159 [1,1,0,0,0,0|1,0,0]=3 796 B12R1.32 COC[C@@H](N)Cc1ccccc1 Amb4037107 [1,1,0,0,0,0|1,0,0]=3 797 B12R1.32 COC[C@H](N)Cc1ccccc1 Amb33871543 [1,1,0,0,0,0|1,0,0]=3 798 B12R1.32 CONC(=O)Cc1ccccc1 Amb16969924 [1,1,0,0,0,0|0,0,2]=4 799 B12R1.32 CONC(C)Cc1ccccc1 Amb28984063 [1,1,0,0,0,0|0,0,0]=2 800 B12R1.32 CO\N=C(\N)Cc1ccccc1 Amb27827154 [1,1,0,0,0,0|1,0,1]=4 801 B12R1.32 C[C@H](Cc1ccccc1)NC=S Amb27209575 [1,1,0,0,0,0|1,0,1]=4 802 B12R1.32 C\C(=C\CO)Cc1ccccc1 Amb27852825 [1,1,0,0,0,0|1,0,1]=4 803 B12R1.32 C\C=C\C(C)Nc1ccccc1 Amb28245278 [1,1,0,0,0,0|2,0,0]=4 804 B12R1.32 C\C=C\C(O)Cc1ccccc1 Amb27641998 [1,1,0,0,0,0|1,0,0]=3 805 B12R1.32 N#CCC(O)Cc1ccccc1 Amb17232368 [1,1,0,0,0,0|1,0,1]=4 806 B12R1.32 NC(CCO)Cc1ccccc1 Amb28872403 [1,1,0,0,0,0|2,0,0]=4 807 B12R1.32 NC(CCO)Cc1ccccc1 Amb8392175 [1,1,0,0,0,0|2,0,0]=4 808 B12R1.32 NCCC(F)Cc1ccccc1 Amb32954290 [1,1,0,0,0,0|2,0,0]=4 809 B12R1.32 NCCC(N)Cc1ccccc1 Amb33039576 [1,1,0,0,0,0|2,0,0]=4 810 B12R1.32 NCCC(O)Cc1ccccc1 Amb17232552 [1,1,0,0,0,0|1,0,0]=3 811 B12R1.32 NCCC(O)Cc1ccccn1 Amb18827677 [1,1,0,0,0,0|2,0,0]=4 812 B12R1.32 NCCC(O)Cc1cccnc1 Amb18827678 [1,1,0,0,0,0|2,0,0]=4 813 B12R1.32 NCC[C@@H](O)Cc1ccccc1 Amb32953160 [1,1,0,0,0,0|1,0,0]=3 814 B12R1.32 NCC[C@H](O)Cc1ccccc1 Amb32953161 [1,1,0,0,0,0|1,0,0]=3 815 B12R1.32 [N-]=[N+]=NC(O)Cc1ccccc1 Amb28435130 [1,1,0,0,0,0|2,0,0]=4 816 B12R1.34 C#CC(C)C(C)c1ccccc1 Amb33081864 [1,1,0,0,0,0|1,0,1]=4 817 B12R1.34 C#CC(C)C(N)c1ccccc1 Amb28254509 [1,1,0,0,0,0|1,0,1]=4 818 B12R1.34 C#CC(O)C(N)c1ccccc1 Amb29875675 [1,1,0,0,0,0|1,0,1]=4 819 B12R1.34 C#C[C@@H](C)[C@@H](O)c1ccccc1 Amb27757239 [1,1,0,0,0,0|1,0,1]=4 820 B12R1.34 C#C[C@@H](C)[C@H](O)c1ccccc1 Amb27405268 [1,1,0,0,0,0|1,0,1]=4 821 B12R1.34 C#C[C@@H](O)C(C)c1ccccc1 Amb29852035 [1,1,0,0,0,0|1,0,1]=4 822 B12R1.34 C#C[C@H](C)[C@@H](O)c1ccccc1 Amb27650164 [1,1,0,0,0,0|1,0,1]=4 823 B12R1.34 C#C[C@H](O)C(C)c1ccccc1 Amb29852036 [1,1,0,0,0,0|1,0,1]=4 824 B12R1.34 C=C(OC)C(O)c1ccccc1 Amb27652842 [1,1,0,0,0,0|0,0,2]=4 825 B12R1.34 C=C(c1ccccc1)C(O)CC Amb27431432 [1,1,0,0,0,0|1,0,1]=4 826 B12R1.34 C=CC(C)C(N)c1ccccc1 Amb27392398 [1,1,0,0,0,0|1,0,1]=4 827 B12R1.34 C=CC(O)C(C)c1ccccc1 Amb25310831 [1,1,0,0,0,0|1,0,1]=4 828 B12R1.34 C=C[C@@H](O)[C@H](O)c1ccccc1 Amb27615222 [1,1,0,0,0,0|1,0,1]=4 829 B12R1.34 C=C[C@H](C)[C@@H](O)c1ccccc1 Amb25071531 [1,1,0,0,0,0|1,0,1]=4 830 B12R1.34 C=C[C@H](O)[C@@H](C)c1ccccc1 Amb27169905 [1,1,0,0,0,0|1,0,1]=4 831 B12R1.34 CC(C#N)C(C)c1ccccc1 Amb33081594 [1,1,0,0,0,0|2,0,0]=4 832 B12R1.34 CC(C=O)C(C)c1ccccc1 Amb24065337 [1,1,0,0,0,0|2,0,0]=4 833 B12R1.34 CC(C=O)C(O)c1ccccc1 Amb28397488 [1,1,0,0,0,0|2,0,0]=4 834 B12R1.34 CC(CBr)C(C)c1ccccc1 Amb33081859 [1,1,0,0,0,0|2,0,0]=4 835 B12R1.34 CC(CCl)C(C)c1ccccc1 Amb27592178 [1,1,0,0,0,0|2,0,0]=4 836 B12R1.34 CC(CN)C(C)c1ccccc1 Amb18829124 [1,1,0,0,0,0|2,0,0]=4 837 B12R1.34 CC(CN)C(F)c1ccccc1 Amb28048144 [1,1,0,0,0,0|2,0,0]=4 838 B12R1.34 CC(CN)C(N)c1ccccc1 Amb28066263 [1,1,0,0,0,0|2,0,0]=4 839 B12R1.34 CC(CN)C(O)c1ccccc1 Amb18646366 [1,1,0,0,0,0|2,0,0]=4 840 B12R1.34 CC(CO)C(C)c1ccccc1 Amb26375616 [1,1,0,0,0,0|2,0,0]=4 841 B12R1.34 CC(CO)[C@H](C)c1ccccc1 Amb28207416 [1,1,0,0,0,0|2,0,0]=4 842 B12R1.34 CC(NN)C(O)c1ccccc1 Amb27867037 [1,1,0,0,0,0|2,0,0]=4 843 B12R1.34 CC(ON)C(C)c1ccccc1 Amb33081868 [1,1,0,0,0,0|1,0,0]=3 844 B12R1.34 CC(c1ccccc1)C(O)CBr Amb33081873 [1,1,0,0,0,0|2,0,0]=4 845 B12R1.34 CC(c1ccccc1)C(O)CCl Amb33081872 [1,1,0,0,0,0|2,0,0]=4 846 B12R1.34 CC(c1ccccc1)C(O)CF Amb27416766 [1,1,0,0,0,0|2,0,0]=4 847 B12R1.34 CC(c1ccccc1)C(O)CN Amb17232553 [1,1,0,0,0,0|2,0,0]=4 848 B12R1.34 CC(c1ccccc1)C(O)CO Amb26021855 [1,1,0,0,0,0|2,0,0]=4 849 B12R1.34 CC(c1ccccc1)[C@@H](C)CN Amb33738459 [1,1,0,0,0,0|2,0,0]=4 850 B12R1.34 CC(c1ccccc1)[C@@H](C)CO Amb33746406 [1,1,0,0,0,0|2,0,0]=4 851 B12R1.34 CC(c1ccccc1)[C@@H](O)CN Amb33081825 [1,1,0,0,0,0|2,0,0]=4 852 B12R1.34 CC(c1ccccc1)[C@H](C)CN Amb33746913 [1,1,0,0,0,0|2,0,0]=4 853 B12R1.34 CC(c1ccccc1)[C@H](C)CO Amb33727265 [1,1,0,0,0,0|2,0,0]=4 854 B12R1.34 CC(c1ccccc1)[C@H](O)CN Amb33081831 [1,1,0,0,0,0|2,0,0]=4 855 B12R1.34 CCC(C)C(=O)c1ccccc1 Amb8850439 [1,1,0,0,0,0|1,0,1]=4 856 B12R1.34 CCC(C)C(N)c1ccccc1 Amb30628584 [1,1,0,0,0,0|1,0,0]=3 857 B12R1.34 CCC(C)C(N)c1cccnc1 Amb27804504 [1,1,0,0,0,0|2,0,0]=4 858 B12R1.34 CCC(C)[C@@H](N)c1ccccn1 Amb28140785 [1,1,0,0,0,0|2,0,0]=4 859 B12R1.34 CCC(C)[C@H](N)c1ccccc1 Amb27430422 [1,1,0,0,0,0|1,0,0]=3 860 B12R1.34 CCC(N)C(C)c1ccccc1 Amb18829127 [1,1,0,0,0,0|2,0,0]=4 861 B12R1.34 CCC(N)C(C)c1ccccc1 Amb20623710 [1,1,0,0,0,0|2,0,0]=4 862 B12R1.34 CCC(N)C(O)c1ccccc1 Amb19373101 [1,1,0,0,0,0|2,0,0]=4 863 B12R1.34 CCC(N)C(O)c1ccccc1 Amb9428998 [1,1,0,0,0,0|2,0,0]=4 864 B12R1.34 CCC(O)C(=O)c1ccccc1 Amb18800792 [1,1,0,0,0,0|1,0,1]=4 865 B12R1.34 CCC(O)C(C)c1ccncc1 Amb27647403 [1,1,0,0,0,0|2,0,0]=4 866 B12R1.34 CCC(O)C(N)c1ccccn1 Amb27857528 [1,1,0,0,0,0|2,0,0]=4 867 B12R1.34 CCC(O)C(N)c1ccncc1 Amb27763667 [1,1,0,0,0,0|2,0,0]=4 868 B12R1.34 CCC(O)C(O)c1ccccc1 Amb27163573 [1,1,0,0,0,0|1,0,0]=3 869 B12R1.34 CCC(O)[C@H](C)c1ccccc1 Amb27981671 [1,1,0,0,0,0|1,0,0]=3 870 B12R1.34 CC[C@@H](C)[C@H](O)c1ccccc1 Amb28321457 [1,1,0,0,0,0|1,0,0]=3 871 B12R1.34 CC[C@@H](N)C(C)c1ccccc1 Amb29867804 [1,1,0,0,0,0|2,0,0]=4 872 B12R1.34 CC[C@@H](N)C(O)c1ccccc1 Amb35602701 [1,1,0,0,0,0|2,0,0]=4 873 B12R1.34 CC[C@@H](N)[C@@H](O)c1ccccc1 Amb27760494 [1,1,0,0,0,0|2,0,0]=4 874 B12R1.34 CC[C@@H](O)C(C)c1ccccc1 Amb29852038 [1,1,0,0,0,0|1,0,0]=3 875 B12R1.34 CC[C@@H](O)[C@@H](C)c1ccccc1 Amb27766563 [1,1,0,0,0,0|1,0,0]=3 876 B12R1.34 CC[C@@H](O)[C@@H](O)c1ccccc1 Amb28293390 [1,1,0,0,0,0|1,0,0]=3 877 B12R1.34 CC[C@@H](O)[C@H](O)c1ccccc1 Amb27835137 [1,1,0,0,0,0|1,0,0]=3 878 B12R1.34 CC[C@H](N)C(C)c1ccccc1 Amb29867785 [1,1,0,0,0,0|2,0,0]=4 879 B12R1.34 CC[C@H](N)C(O)c1ccccc1 Amb35601261 [1,1,0,0,0,0|2,0,0]=4 880 B12R1.34 CC[C@H](N)[C@H](O)c1ccccc1 Amb28121117 [1,1,0,0,0,0|2,0,0]=4 881 B12R1.34 CC[C@H](O)C(C)c1ccccc1 Amb29852039 [1,1,0,0,0,0|1,0,0]=3 882 B12R1.34 CC[C@H](O)[C@H](N)c1ccccc1 Amb28292456 [1,1,0,0,0,0|1,0,0]=3 883 B12R1.34 CC[C@H](O)[C@H](O)c1ccccc1 Amb27835888 [1,1,0,0,0,0|1,0,0]=3 884 B12R1.34 CNC(C)C(=O)c1ccccc1 Amb8384820 [1,1,0,0,0,0|1,0,1]=4 885 B12R1.34 CNC(C)C(C)c1ccccc1 Amb18645936 [1,1,0,0,0,0|1,0,0]=3 886 B12R1.34 CNC(C)C(C)c1ccccc1 Amb33276248 [1,1,0,0,0,0|1,0,0]=3 887 B12R1.34 CNC(C)C(F)c1ccccc1 Amb27392376 [1,1,0,0,0,0|1,0,0]=3 888 B12R1.34 CNC(C)C(O)c1ccccc1 Amb8629224 [1,1,0,0,0,0|1,0,0]=3 889 B12R1.34 CN[C@@H](C)C(O)c1cccnc1 Amb35662448 [1,1,0,0,0,0|2,0,0]=4 890 B12R1.34 CN[C@@H](C)[C@@H](F)c1ccccc1 Amb27400552 [1,1,0,0,0,0|1,0,0]=3 891 B12R1.34 CN[C@@H](C)[C@@H](O)c1ccccc1 Amb533737 [1,1,0,0,0,0|1,0,0]=3 892 B12R1.34 CN[C@@H](C)[C@H](F)c1ccccc1 Amb27441123 [1,1,0,0,0,0|1,0,0]=3 893 B12R1.34 CN[C@@H](C)[C@H](O)c1ccccc1 Amb3939358 [1,1,0,0,0,0|1,0,0]=3 894 B12R1.34 CN[C@@H](O)[C@@H](O)c1ccccc1 Amb27190916 [1,1,0,0,0,0|1,0,0]=3 895 B12R1.34 CN[C@H](C)C(=O)c1ccccc1 Amb28129791 [1,1,0,0,0,0|1,0,1]=4 896 B12R1.34 CN[C@H](C)[C@@H](F)c1ccccc1 Amb27393978 [1,1,0,0,0,0|1,0,0]=3 897 B12R1.34 CN[C@H](C)[C@H](Cl)c1ccccc1 Amb28184716 [1,1,0,0,0,0|1,0,0]=3 898 B12R1.34 CN[C@H](C)[C@H](O)c1ccccc1 Amb19133732 [1,1,0,0,0,0|1,0,0]=3 899 B12R1.34 CN[C@H](C)[C@H](O)c1ccccc1 Amb3939359 [1,1,0,0,0,0|1,0,0]=3 900 B12R1.34 CN[C@H](C)[C@H](S)c1ccccc1 Amb27430364 [1,1,0,0,0,0|1,0,0]=3 901 B12R1.34 COC(=N)C(O)c1ccccc1 Amb27953078 [1,1,0,0,0,0|1,0,1]=4 902 B12R1.34 COC(=O)C(Br)c1ccccc1 Amb3939722 [1,1,0,0,0,0|0,0,2]=4 903 B12R1.34 COC(=O)C(C)c1ccccc1 Amb16185437 [1,1,0,0,0,0|0,0,2]=4 904 B12R1.34 COC(=O)C(Cl)c1ccccc1 Amb1212399 [1,1,0,0,0,0|0,0,2]=4 905 B12R1.34 COC(=O)C(F)c1ccccc1 Amb24179152 [1,1,0,0,0,0|0,0,2]=4 906 B12R1.34 COC(=O)C(N)c1ccccc1 Amb1196141 [1,1,0,0,0,0|0,0,2]=4 907 B12R1.34 COC(=O)C(N)c1ccccc1 Amb1911591 [1,1,0,0,0,0|0,0,2]=4 908 B12R1.34 COC(=O)C(O)c1ccccc1 Amb3939682 [1,1,0,0,0,0|0,0,2]=4 909 B12R1.34 COC(=O)C([NH-])c1ccccc1 Amb8439013 [1,1,0,0,0,0|0,0,2]=4 910 B12R1.34 COC(=O)C([NH3+])c1ccccc1 Amb4006043 [1,1,0,0,0,0|0,0,2]=4 911 B12R1.34 COC(=O)[C@@H](C)c1ccccc1 Amb24704365 [1,1,0,0,0,0|0,0,2]=4 912 B12R1.34 COC(=O)[C@@H](Cl)c1ccccc1 Amb27984727 [1,1,0,0,0,0|0,0,2]=4 913 B12R1.34 COC(=O)[C@@H](N)c1ccccc1 Amb3941407 [1,1,0,0,0,0|0,0,2]=4 914 B12R1.34 COC(=O)[C@@H](N)c1ccccc1 Amb8627870 [1,1,0,0,0,0|0,0,2]=4 915 B12R1.34 COC(=O)[C@@H](O)c1ccccc1 Amb3939704 [1,1,0,0,0,0|0,0,2]=4 916 B12R1.34 COC(=O)[C@H](C)c1ccccc1 Amb28244200 [1,1,0,0,0,0|0,0,2]=4 917 B12R1.34 COC(=O)[C@H](N)c1ccccc1 Amb20240647 [1,1,0,0,0,0|0,0,2]=4 918 B12R1.34 COC(=O)[C@H](N)c1ccccc1 Amb3940044 [1,1,0,0,0,0|0,0,2]=4 919 B12R1.34 COC(=O)[C@H](O)c1ccccc1 Amb3939671 [1,1,0,0,0,0|0,0,2]=4 920 B12R1.34 COC(C)C(O)c1cnccn1 Amb27260595 [1,1,0,0,0,0|2,0,0]=4 921 B12R1.34 COC(N)C(O)c1ccccc1 Amb28397502 [1,1,0,0,0,0|1,0,0]=3 922 B12R1.34 COC(O)[C@@H](N)c1ccccc1 Amb27625851 [1,1,0,0,0,0|0,0,0]=2 923 B12R1.34 CON(C)C(=O)c1ccccc1 Amb4037088 [1,1,0,0,0,0|1,0,1]=4 924 B12R1.34 CON(C)S(=O)c1ccccc1 Amb28383906 [1,1,0,0,0,0|2,0,0]=4 925 B12R1.34 CO[C@@H](C)[C@@H](O)c1ccccc1 Amb27615564 [1,1,0,0,0,0|0,0,0]=2 926 B12R1.34 CO[C@H](C)[C@H](N)c1ncccn1 Amb32716240 [1,1,0,0,0,0|2,0,0]=4 927 B12R1.34 CSC(C)C(=O)c1ccccc1 Amb18796322 [1,1,0,0,0,0|0,1,1]=4 928 B12R1.34 CSC(O)C(=O)c1ccccc1 Amb17594697 [1,1,0,0,0,0|0,1,1]=4 929 B12R1.34 C[C@@H](C#N)[C@@H](O)c1ccccc1 Amb27757193 [1,1,0,0,0,0|2,0,0]=4 930 B12R1.34 C[C@@H](CO)[C@@H](C)c1ccccc1 Amb27178556 [1,1,0,0,0,0|2,0,0]=4 931 B12R1.34 C[C@@H](NO)[C@@H](O)c1ccccc1 Amb27770879 [1,1,0,0,0,0|2,0,0]=4 932 B12R1.34 C[C@@H](c1ccccc1)[C@@H](O)CO Amb27763660 [1,1,0,0,0,0|2,0,0]=4 933 B12R1.34 C[C@H](C#N)[C@@H](O)c1ccccc1 Amb27170255 [1,1,0,0,0,0|2,0,0]=4 934 B12R1.34 C[C@H](C=O)[C@@H](C)c1ccccc1 Amb28243965 [1,1,0,0,0,0|2,0,0]=4 935 B12R1.34 C[C@H](C=O)[C@H](O)c1ccccc1 Amb27873253 [1,1,0,0,0,0|2,0,0]=4 936 B12R1.34 C[C@H](CO)C(N)c1ccccc1 Amb27614720 [1,1,0,0,0,0|2,0,0]=4 937 B12R1.34 C[C@H](NN)[C@@H](O)c1ccccc1 Amb27662181 [1,1,0,0,0,0|2,0,0]=4 938 B12R1.34 C[C@H](NO)[C@@H](O)c1ccccc1 Amb28242677 [1,1,0,0,0,0|2,0,0]=4 939 B12R1.34 C[C@H](c1ccccc1)[C@@H](C)C=O Amb27193040 [1,1,0,0,0,0|2,0,0]=4 940 B12R1.34 C[C@H](c1ccccc1)[C@H](O)C#N Amb27484775 [1,1,0,0,0,0|2,0,0]=4 941 B12R1.34 C\C=C(\C)C(O)c1ccccc1 Amb27764784 [1,1,0,0,0,0|1,0,1]=4 942 B12R1.34 C\N=C(/C)C(Cl)c1ccccc1 Amb28343046 [1,1,0,0,0,0|1,0,1]=4 943 B12R1.34 C\N=C(\C)C(O)c1ccccc1 Amb27761496 [1,1,0,0,0,0|1,0,1]=4 944 B12R1.34 N#CC(O)C(F)c1ccccc1 Amb25320704 [1,1,0,0,0,0|2,0,0]=4 945 B12R1.34 N#CC(O)C(O)c1ccccc1 Amb27829928 [1,1,0,0,0,0|2,0,0]=4 946 B12R1.34 N#CC(O)[C@@H](N)c1ccccc1 Amb27400526 [1,1,0,0,0,0|2,0,0]=4 947 B12R1.34 N#C[C@@H](O)[C@@H](F)c1ccccc1 Amb27835111 [1,1,0,0,0,0|2,0,0]=4 948 B12R1.34 N#C[C@@H](O)[C@@H](O)c1ccccc1 Amb27651908 [1,1,0,0,0,0|2,0,0]=4 949 B12R1.34 NC(c1ccccc1)C(O)CO Amb18646773 [1,1,0,0,0,0|2,0,0]=4 950 B12R1.34 NCC(O)C(O)c1ccccc1 Amb19148004 [1,1,0,0,0,0|2,0,0]=4 951 B12R1.34 N[C@H](c1ccccc1)[C@H](O)CO Amb27430365 [1,1,0,0,0,0|2,0,0]=4 952 B12R1.34 O=C[C@@H](O)[C@H](O)c1ccccc1 Amb27390110 [1,1,0,0,0,0|2,0,0]=4 953 B12R1.34 OC(CCl)C(F)c1ccccc1 Amb28343186 [1,1,0,0,0,0|2,0,0]=4 954 B12R1.34 OC(CF)C(F)c1ccccc1 Amb28127891 [1,1,0,0,0,0|2,0,0]=4 955 B12R1.34 OC[C@@H](O)[C@@H](O)c1ccccc1 Amb28244272 [1,1,0,0,0,0|2,0,0]=4 956 B12R1.34 OC[C@@H](O)[C@H](O)c1ccccc1 Amb24496901 [1,1,0,0,0,0|2,0,0]=4 957 B12R1.34 OC[C@H](O)[C@H](Cl)c1ccccc1 Amb27231781 [1,1,0,0,0,0|2,0,0]=4 958 B12R1.34 O[C@@H](CCl)[C@@H](F)c1ccccc1 Amb28343033 [1,1,0,0,0,0|2,0,0]=4 959 B12R1.34 O[C@@H](CF)[C@H](F)c1ccccc1 Amb27255180 [1,1,0,0,0,0|2,0,0]=4 960 B12R1.34 O[C@H](CCl)[C@H](O)c1ccccc1 Amb27657548 [1,1,0,0,0,0|2,0,0]=4 961 B12R1.34 [BH3-]NC(C)C(O)c1ccccc1 Amb28193544 [1,1,0,0,0,0|2,0,0]=4 962 B12R1.34 [C-]#[N+]C(C)C(C)c1ccccc1 Amb33081598 [1,1,0,0,0,0|1,0,1]=4 963 B12R1.43 C=C(C)C(C)Nc1ccccc1 Amb28368457 [1,1,0,0,0,0|2,0,0]=4 964 B12R1.43 C=C(C)C(N)Cc1ccccc1 Amb28056790 [1,1,0,0,0,0|2,0,0]=4 965 B12R1.43 C=C(C)[C@@H](N)Cc1ccccc1 Amb28250037 [1,1,0,0,0,0|2,0,0]=4 966 B12R1.43 CC(=O)C(Br)Cc1ccccc1 Amb17507835 [1,1,0,0,0,0|2,0,0]=4 967 B12R1.43 CC(=O)C(C)Cc1ccccc1 Amb17232407 [1,1,0,0,0,0|1,0,0]=3 968 B12R1.43 CC(=O)C(C)Cc1ccccn1 Amb27231621 [1,1,0,0,0,0|2,0,0]=4 969 B12R1.43 CC(=O)C(C)Cc1cccnc1 Amb27960854 [1,1,0,0,0,0|2,0,0]=4 970 B12R1.43 CC(=O)C(C)Nc1ccccc1 Amb28246424 [1,1,0,0,0,0|2,0,0]=4 971 B12R1.43 CC(=O)C(C)Oc1ccccc1 Amb2439364 [1,1,0,0,0,0|2,0,0]=4 972 B12R1.43 CC(=O)C(C)Sc1ccccc1 Amb9269983 [1,1,0,0,0,0|2,0,0]=4 973 B12R1.43 CC(=O)C(Cl)Cc1ccccc1 Amb17204329 [1,1,0,0,0,0|2,0,0]=4 974 B12R1.43 CC(=O)C(F)Cc1ccccc1 Amb27453671 [1,1,0,0,0,0|2,0,0]=4 975 B12R1.43 CC(=O)C(N)Cc1ccccc1 Amb1099237 [1,1,0,0,0,0|2,0,0]=4 976 B12R1.43 CC(=O)C(N)Cc1ccccc1 Amb2600540 [1,1,0,0,0,0|2,0,0]=4 977 B12R1.43 CC(=O)C(O)Cc1ccccc1 Amb25340966 [1,1,0,0,0,0|1,0,0]=3 978 B12R1.43 CC(=O)N(C)Cc1ccccc1 Amb3886652 [1,1,0,0,0,0|2,0,0]=4 979 B12R1.43 CC(=O)[C@@H](C)Cc1cccnc1 Amb27177781 [1,1,0,0,0,0|2,0,0]=4 980 B12R1.43 CC(=O)[C@@H](N)Cc1ccccc1 Amb27874005 [1,1,0,0,0,0|2,0,0]=4 981 B12R1.43 CC(=O)[C@H](N)Cc1ccccc1 Amb35588699 [1,1,0,0,0,0|2,0,0]=4 982 B12R1.43 CC(C)C(C)Nc1ccccc1 Amb6685131 [1,1,0,0,0,0|2,0,0]=4 983 B12R1.43 CC(C)C(N)Cc1ccccc1 Amb17138565 [1,1,0,0,0,0|2,0,0]=4 984 B12R1.43 CC(C)C(O)Cc1ccccc1 Amb17138584 [1,1,0,0,0,0|1,0,0]=3 985 B12R1.43 CC(C)C(O)Cc1ccncc1 Amb18800936 [1,1,0,0,0,0|2,0,0]=4 986 B12R1.43 CC(C)[C@@H](N)Cc1ccccc1 Amb27858881 [1,1,0,0,0,0|2,0,0]=4 987 B12R1.43 CC(C)[C@@H](O)Cc1ccccc1 Amb28244375 [1,1,0,0,0,0|1,0,0]=3 988 B12R1.43 CC(C)[C@H](C)Nc1ccccc1 Amb27482555 [1,1,0,0,0,0|2,0,0]=4 989 B12R1.43 CC(C)[C@H](N)Cc1ccccc1 Amb28127185 [1,1,0,0,0,0|2,0,0]=4 990 B12R1.43 CC(Cc1ccccc1)C(=O)Cl Amb5744098 [1,1,0,0,0,0|2,0,0]=4 991 B12R1.43 CC(Cc1ccccc1)C(=O)O Amb3939940 [1,1,0,0,0,0|2,0,0]=4 992 B12R1.43 CC(Cc1ccccc1)C(N)=O Amb2701804 [1,1,0,0,0,0|2,0,0]=4 993 B12R1.43 CC(Cc1ccccc1)[N+](=O)[O-] Amb17689219 [1,1,0,0,0,0|2,0,0]=4 994 B12R1.43 CC(Cl)C(Cl)Cc1ccccc1 Amb27947452 [1,1,0,0,0,0|2,0,0]=4 995 B12R1.43 CC(F)C(N)Cc1ccccc1 Amb27489717 [1,1,0,0,0,0|2,0,0]=4 996 B12R1.43 CC(N)C(C)Cc1cccnc1 Amb27436524 [1,1,0,0,0,0|2,0,0]=4 997 B12R1.43 CC(N)C(C)Cc1ccncc1 Amb18828714 [1,1,0,0,0,0|2,0,0]=4 998 B12R1.43 CC(N)C(C)Nc1ccccc1 Amb18646160 [1,1,0,0,0,0|2,0,0]=4 999 B12R1.43 CC(N)C(C)Oc1ccccc1 Amb18291409 [1,1,0,0,0,0|2,0,0]=4 1000 B12R1.43 CC(N)C(C)Sc1ccccc1 Amb18648553 [1,1,0,0,0,0|2,0,0]=4 1001 B12R1.43 CC(N)C(N)Cc1ccccc1 Amb28325649 [1,1,0,0,0,0|2,0,0]=4 1002 B12R1.43 CC(N)C(O)Cc1ccccc1 Amb18828237 [1,1,0,0,0,0|1,0,0]=3 1003 B12R1.43 CC(N)C(O)Cc1ccccc1 Amb30584971 [1,1,0,0,0,0|1,0,0]=3 1004 B12R1.43 CC(N)C(O)Cc1ccccn1 Amb18827665 [1,1,0,0,0,0|2,0,0]=4 1005 B12R1.43 CC(N)C(O)Cc1cccnc1 Amb18827666 [1,1,0,0,0,0|2,0,0]=4 1006 B12R1.43 CC(N)C(O)Cc1ccncc1 Amb18827650 [1,1,0,0,0,0|2,0,0]=4 1007 B12R1.43 CC(O)C(C)Cc1ccccc1 Amb17232485 [1,1,0,0,0,0|1,0,0]=3 1008 B12R1.43 CC(O)C(C)Cc1ccccn1 Amb24341829 [1,1,0,0,0,0|2,0,0]=4 1009 B12R1.43 CC(O)C(C)Cc1cccnc1 Amb27630237 [1,1,0,0,0,0|2,0,0]=4 1010 B12R1.43 CC(O)C(C)Cc1ccncc1 Amb25710238 [1,1,0,0,0,0|2,0,0]=4 1011 B12R1.43 CC(O)C(C)Oc1ccccc1 Amb18801039 [1,1,0,0,0,0|2,0,0]=4 1012 B12R1.43 CC(O)C(C)Sc1ccccc1 Amb27165940 [1,1,0,0,0,0|2,0,0]=4 1013 B12R1.43 CC(O)C(N)Cc1ccccc1 Amb18646379 [1,1,0,0,0,0|2,0,0]=4 1014 B12R1.43 CC(O)C(N)Cc1ccccc1 Amb32661717 [1,1,0,0,0,0|2,0,0]=4 1015 B12R1.43 CC(O)C(O)Cc1ccccn1 Amb28281194 [1,1,0,0,0,0|2,0,0]=4 1016 B12R1.43 CC(O)[C@@H](C)Cc1cccnc1 Amb28455142 [1,1,0,0,0,0|2,0,0]=4 1017 B12R1.43 CC(O)[C@H](C)Cc1ccccc1 Amb27761643 [1,1,0,0,0,0|1,0,0]=3 1018 B12R1.43 CC(Oc1ccccc1)[C@@H](C)N Amb27177950 [1,1,0,0,0,0|2,0,0]=4 1019 B12R1.43 CC(Oc1ccccc1)[C@@H](C)O Amb27238389 [1,1,0,0,0,0|2,0,0]=4 1020 B12R1.43 CC(Oc1ccccc1)[C@H](C)O Amb27876377 [1,1,0,0,0,0|2,0,0]=4 1021 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O Amb10844540 [1,1,0,0,0,0|2,0,0]=4 1022 B12R1.43 C[C@@H](Cc1ccccc1)N(C)C Amb22747859 [1,1,0,0,0,0|1,0,0]=3 1023 B12R1.43 C[C@@H](Cl)[C@@H](C)Sc1ccccc1 Amb27947490 [1,1,0,0,0,0|2,0,0]=4 1024 B12R1.43 C[C@@H](N)C(O)Cc1ccccc1 Amb35618099 [1,1,0,0,0,0|1,0,0]=3 1025 B12R1.43 C[C@@H](N)C(O)Cc1ccccn1 Amb30024569 [1,1,0,0,0,0|2,0,0]=4 1026 B12R1.43 C[C@@H](N)C(O)Cc1cccnc1 Amb35738290 [1,1,0,0,0,0|2,0,0]=4 1027 B12R1.43 C[C@@H](N)C(O)Cc1ccncc1 Amb35738418 [1,1,0,0,0,0|2,0,0]=4 1028 B12R1.43 C[C@@H](N)[C@@H](C)Nc1ccccc1 Amb27394625 [1,1,0,0,0,0|2,0,0]=4 1029 B12R1.43 C[C@@H](O)[C@H](O)Cc1ccccc1 Amb28401092 [1,1,0,0,0,0|1,0,0]=3 1030 B12R1.43 C[C@H](Cc1ccccc1)C(=O)O Amb10844541 [1,1,0,0,0,0|2,0,0]=4 1031 B12R1.43 C[C@H](Cc1ccccc1)C(N)=O Amb28319376 [1,1,0,0,0,0|2,0,0]=4 1032 B12R1.43 C[C@H](N)C(O)Cc1ccccc1 Amb35738417 [1,1,0,0,0,0|1,0,0]=3 1033 B12R1.43 C[C@H](N)C(O)Cc1ccccn1 Amb35737801 [1,1,0,0,0,0|2,0,0]=4 1034 B12R1.43 C[C@H](N)C(O)Cc1cccnc1 Amb35624441 [1,1,0,0,0,0|2,0,0]=4 1035 B12R1.43 C[C@H](N)C(O)Cc1ccncc1 Amb35618076 [1,1,0,0,0,0|2,0,0]=4 1036 B12R1.43 C[C@H](Nc1ccccc1)[C@@H](C)O Amb27225799 [1,1,0,0,0,0|2,0,0]=4 1037 B12R1.43 C[C@H](O)[C@@H](C)Cc1ccccc1 Amb27207474 [1,1,0,0,0,0|1,0,0]=3 1038 B12R1.43 N=C(N)C(O)Cc1ccccc1 Amb28137730 [1,1,0,0,0,0|2,0,0]=4 1039 B12R1.43 NC(=O)C(O)Cc1ccccc1 Amb18800896 [1,1,0,0,0,0|2,0,0]=4 1040 B12R1.43 NC(=O)[C@@H](O)Cc1ccccc1 Amb26371653 [1,1,0,0,0,0|2,0,0]=4 1041 B12R1.43 NC(=O)[C@H](O)Cc1ccccc1 Amb25359872 [1,1,0,0,0,0|2,0,0]=4 1042 B12R1.43 NC(=S)C(O)Cc1ccccc1 Amb27398697 [1,1,0,0,0,0|2,0,0]=4 1043 B12R1.43 O=C(Cl)C(O)Cc1ccccc1 Amb27632817 [1,1,0,0,0,0|2,0,0]=4 1044 B12R1.43 O=C(O)C(O)Cc1ccccc1 Amb2718772 [1,1,0,0,0,0|2,0,0]=4 1045 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 Amb6295887 [1,1,0,0,0,0|2,0,0]=4 1046 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 Amb3940793 [1,1,0,0,0,0|2,0,0]=4 1047 B12R1.43 O=C([O-])C(O)Cc1ccccc1 Amb33513053 [1,1,0,0,0,0|2,0,0]=4 1048 B12R1.43 OC(Cc1ccccc1)C(F)F Amb24665165 [1,1,0,0,0,0|2,0,0]=4 1049 B12R1.43 O[C@H](Cc1ccccc1)[C@H](F)Cl Amb27392395 [1,1,0,0,0,0|2,0,0]=4 1050 B12R1.49 C#CC(O)Cc1ccc(F)cc1 Amb27435476 [1,1,0,0,0,0|1,0,1]=4 1051 B12R1.49 C#CC(O)Cc1ccc(N)cc1 Amb30024122 [1,1,0,0,0,0|1,0,1]=4 1052 B12R1.49 C=CC(O)Cc1ccc(N)cc1 Amb35588601 [1,1,0,0,0,0|1,0,1]=4 1053 B12R1.49 CC(C#N)Cc1ccc(Br)cc1 Amb24540446 [1,1,0,0,0,0|2,0,0]=4 1054 B12R1.49 CC(C#N)Cc1ccc(Cl)cc1 Amb28136200 [1,1,0,0,0,0|2,0,0]=4 1055 B12R1.49 CC(C#N)Cc1ccc(F)cc1 Amb25050633 [1,1,0,0,0,0|2,0,0]=4 1056 B12R1.49 CC(C#N)Cc1ccc(O)cc1 Amb4020113 [1,1,0,0,0,0|2,0,0]=4 1057 B12R1.49 CC(C=O)Cc1ccc(Br)cc1 Amb25060263 [1,1,0,0,0,0|2,0,0]=4 1058 B12R1.49 CC(C=O)Cc1ccc(Cl)cc1 Amb18648716 [1,1,0,0,0,0|2,0,0]=4 1059 B12R1.49 CC(C=O)Cc1ccc(F)cc1 Amb26011993 [1,1,0,0,0,0|2,0,0]=4 1060 B12R1.49 CC(C=O)Cc1ccc(I)cc1 Amb28187361 [1,1,0,0,0,0|2,0,0]=4 1061 B12R1.49 CC(C=O)Cc1ccc(N)cc1 Amb27398345 [1,1,0,0,0,0|2,0,0]=4 1062 B12R1.49 CC(CBr)Cc1ccc(Br)cc1 Amb25366059 [1,1,0,0,0,0|2,0,0]=4 1063 B12R1.49 CC(CBr)Cc1ccc(Cl)cc1 Amb25874244 [1,1,0,0,0,0|2,0,0]=4 1064 B12R1.49 CC(CBr)Cc1ccc(F)cc1 Amb25115291 [1,1,0,0,0,0|2,0,0]=4 1065 B12R1.49 CC(CBr)Cc1ccc(I)cc1 Amb26510549 [1,1,0,0,0,0|2,0,0]=4 1066 B12R1.49 CC(CBr)Cc1ccc(O)cc1 Amb25892811 [1,1,0,0,0,0|2,0,0]=4 1067 B12R1.49 CC(CCl)Cc1ccc(Br)cc1 Amb27956125 [1,1,0,0,0,0|2,0,0]=4 1068 B12R1.49 CC(CCl)Cc1ccc(Cl)cc1 Amb26841031 [1,1,0,0,0,0|2,0,0]=4 1069 B12R1.49 CC(CCl)Cc1ccc(F)cc1 Amb27669774 [1,1,0,0,0,0|2,0,0]=4 1070 B12R1.49 CC(CCl)Cc1ccc(I)cc1 Amb26040389 [1,1,0,0,0,0|2,0,0]=4 1071 B12R1.49 CC(CCl)Cc1ccc(O)cc1 Amb25892809 [1,1,0,0,0,0|2,0,0]=4 1072 B12R1.49 CC(CN)Cc1ccc(Cl)cc1 Amb5743848 [1,1,0,0,0,0|2,0,0]=4 1073 B12R1.49 CC(CN)Cc1ccc(F)cc1 Amb5743841 [1,1,0,0,0,0|2,0,0]=4 1074 B12R1.49 CC(CO)Cc1ccc(Br)cc1 Amb27794524 [1,1,0,0,0,0|2,0,0]=4 1075 B12R1.49 CC(CO)Cc1ccc(Cl)cc1 Amb26398800 [1,1,0,0,0,0|2,0,0]=4 1076 B12R1.49 CC(CO)Cc1ccc(F)cc1 Amb26963530 [1,1,0,0,0,0|2,0,0]=4 1077 B12R1.49 CC(Cc1ccc(Br)cc1)NN Amb27832297 [1,1,0,0,0,0|2,0,0]=4 1078 B12R1.49 CC(Cc1ccc(Cl)cc1)NO Amb27751580 [1,1,0,0,0,0|2,0,0]=4 1079 B12R1.49 CC(Cc1ccc(F)cc1)NO Amb28255996 [1,1,0,0,0,0|2,0,0]=4 1080 B12R1.49 CCC(C)Nc1ccc(Br)cc1 Amb6696561 [1,1,0,0,0,0|2,0,0]=4 1081 B12R1.49 CCC(C)Nc1ccc(C)cc1 Amb6700867 [1,1,0,0,0,0|2,0,0]=4 1082 B12R1.49 CCC(C)Nc1ccc(Cl)cc1 Amb6695985 [1,1,0,0,0,0|2,0,0]=4 1083 B12R1.49 CCC(C)Nc1ccc(F)cc1 Amb6696817 [1,1,0,0,0,0|2,0,0]=4 1084 B12R1.49 CCC(C)Nc1ccc(N)cc1 Amb7767483 [1,1,0,0,0,0|2,0,0]=4 1085 B12R1.49 CCC(C)Oc1ccc(Br)cc1 Amb6740546 [1,1,0,0,0,0|2,0,0]=4 1086 B12R1.49 CCC(C)Oc1ccc(Cl)cc1 Amb8629128 [1,1,0,0,0,0|2,0,0]=4 1087 B12R1.49 CCC(C)Oc1ccc(I)cc1 Amb27753794 [1,1,0,0,0,0|2,0,0]=4 1088 B12R1.49 CCC(C)Oc1ccc(N)cc1 Amb9702228 [1,1,0,0,0,0|2,0,0]=4 1089 B12R1.49 CCC(C)Oc1ccc(O)cc1 Amb8837279 [1,1,0,0,0,0|2,0,0]=4 1090 B12R1.49 CCC(Cl)Cc1ccc(C)cc1 Amb17477426 [1,1,0,0,0,0|2,0,0]=4 1091 B12R1.49 CCC(N)Cc1ccc(Br)cc1 Amb28555695 [1,1,0,0,0,0|2,0,0]=4 1092 B12R1.49 CCC(N)Cc1ccc(Br)cc1 Amb9428935 [1,1,0,0,0,0|2,0,0]=4 1093 B12R1.49 CCC(N)Cc1ccc(C)cc1 Amb9428909 [1,1,0,0,0,0|2,0,0]=4 1094 B12R1.49 CCC(N)Cc1ccc(Cl)cc1 Amb19374189 [1,1,0,0,0,0|2,0,0]=4 1095 B12R1.49 CCC(N)Cc1ccc(Cl)cc1 Amb9428934 [1,1,0,0,0,0|2,0,0]=4 1096 B12R1.49 CCC(N)Cc1ccc(F)cc1 Amb28555694 [1,1,0,0,0,0|2,0,0]=4 1097 B12R1.49 CCC(N)Cc1ccc(F)cc1 Amb9428931 [1,1,0,0,0,0|2,0,0]=4 1098 B12R1.49 CCC(N)Cc1ccc(I)cc1 Amb24711014 [1,1,0,0,0,0|2,0,0]=4 1099 B12R1.49 CCC(N)Cc1ccc(O)cc1 Amb33552371 [1,1,0,0,0,0|2,0,0]=4 1100 B12R1.49 CCC(N)Cc1ccc(O)cc1 Amb9428939 [1,1,0,0,0,0|2,0,0]=4 1101 B12R1.49 CCC(O)Cc1ccc(Br)cc1 Amb17477579 [1,1,0,0,0,0|1,0,0]=3 1102 B12R1.49 CCC(O)Cc1ccc(Br)cn1 Amb28455480 [1,1,0,0,0,0|2,0,0]=4 1103 B12R1.49 CCC(O)Cc1ccc(C)cc1 Amb17138583 [1,1,0,0,0,0|1,0,0]=3 1104 B12R1.49 CCC(O)Cc1ccc(Cl)cc1 Amb17139103 [1,1,0,0,0,0|1,0,0]=3 1105 B12R1.49 CCC(O)Cc1ccc(F)cc1 Amb17138637 [1,1,0,0,0,0|1,0,0]=3 1106 B12R1.49 CCC(O)Cc1ccc(N)cc1 Amb35588641 [1,1,0,0,0,0|1,0,0]=3 1107 B12R1.49 CCC(O)Cc1ccc(O)cc1 Amb28239277 [1,1,0,0,0,0|1,0,0]=3 1108 B12R1.49 CCC(O)Sc1ccc(C)cc1 Amb22228345 [1,1,0,0,0,0|2,0,0]=4 1109 B12R1.49 CCN(C)Cc1ccc(C)cc1 Amb28316304 [1,1,0,0,0,0|2,0,0]=4 1110 B12R1.49 CCN(C)Cc1ccc(N)cc1 Amb20622466 [1,1,0,0,0,0|2,0,0]=4 1111 B12R1.49 CCN(C)Cc1ccc(N)cc1 Amb8890384 [1,1,0,0,0,0|2,0,0]=4 1112 B12R1.49 CCN(C)Cc1ccc(O)cc1 Amb27198412 [1,1,0,0,0,0|2,0,0]=4 1113 B12R1.49 CC[C@@H](C)Cc1ccc(O)cc1 Amb27806960 [1,1,0,0,0,0|1,0,0]=3 1114 B12R1.49 CC[C@@H](N)Cc1ccc(Br)cc1 Amb27830392 [1,1,0,0,0,0|2,0,0]=4 1115 B12R1.49 CC[C@H](C)Cc1ccc(N)cc1 Amb27411906 [1,1,0,0,0,0|1,0,0]=3 1116 B12R1.49 CC[C@H](C)Cc1ccc(O)cc1 Amb27267991 [1,1,0,0,0,0|1,0,0]=3 1117 B12R1.49 CC[C@H](N)Cc1ccc(Br)cc1 Amb27840450 [1,1,0,0,0,0|2,0,0]=4 1118 B12R1.49 CC[C@H](N)Cc1ccc(C)cc1 Amb28203344 [1,1,0,0,0,0|2,0,0]=4 1119 B12R1.49 CNC(C)Cc1ccc(C)cc1 Amb5735453 [1,1,0,0,0,0|1,0,0]=3 1120 B12R1.49 CNC(C)Cc1ccc(C)cn1 Amb28069922 [1,1,0,0,0,0|2,0,0]=4 1121 B12R1.49 CNC(C)Cc1ccc(Cl)cc1 Amb5735461 [1,1,0,0,0,0|1,0,0]=3 1122 B12R1.49 CNC(C)Cc1ccc(F)cc1 Amb22055302 [1,1,0,0,0,0|1,0,0]=3 1123 B12R1.49 CNC(C)Cc1ccc(F)cc1 Amb33535054 [1,1,0,0,0,0|1,0,0]=3 1124 B12R1.49 CNC(C)Cc1ccc(I)cc1 Amb27270762 [1,1,0,0,0,0|1,0,0]=3 1125 B12R1.49 CNC(C)Cc1ccc(N)cc1 Amb18050449 [1,1,0,0,0,0|1,0,0]=3 1126 B12R1.49 CNC(C)Cc1ccc(O)cc1 Amb33513044 [1,1,0,0,0,0|1,0,0]=3 1127 B12R1.49 CN[C@@H](C)Cc1ccc(C)cc1 Amb28121130 [1,1,0,0,0,0|1,0,0]=3 1128 B12R1.49 COC(=N)Cc1ccc(C)cc1 Amb18798199 [1,1,0,0,0,0|1,0,1]=4 1129 B12R1.49 COC(=N)Cc1ccc(N)cc1 Amb27233001 [1,1,0,0,0,0|1,0,1]=4 1130 B12R1.49 COC(=N)Cc1ccc(O)cc1 Amb18792627 [1,1,0,0,0,0|1,0,1]=4 1131 B12R1.49 COC(=O)Cc1ccc(Br)cc1 Amb843215 [1,1,0,0,0,0|0,0,2]=4 1132 B12R1.49 COC(=O)Cc1ccc(C)cc1 Amb843206 [1,1,0,0,0,0|0,0,2]=4 1133 B12R1.49 COC(=O)Cc1ccc(Cl)cc1 Amb843209 [1,1,0,0,0,0|0,0,2]=4 1134 B12R1.49 COC(=O)Cc1ccc(F)cc1 Amb6336634 [1,1,0,0,0,0|0,0,2]=4 1135 B12R1.49 COC(=O)Cc1ccc(I)cc1 Amb10601390 [1,1,0,0,0,0|0,0,2]=4 1136 B12R1.49 COC(=O)Cc1ccc(N)cc1 Amb2691375 [1,1,0,0,0,0|0,0,2]=4 1137 B12R1.49 COC(=O)Cc1ccc(N)cc1 Amb318183 [1,1,0,0,0,0|0,0,2]=4 1138 B12R1.49 COC(=O)Cc1ccc(O)cc1 Amb6357411 [1,1,0,0,0,0|0,0,2]=4 1139 B12R1.49 COC(=S)Cc1ccc(F)cc1 Amb27666149 [1,1,0,0,0,0|0,1,1]=4 1140 B12R1.49 CON(C)Cc1ccc(Br)cn1 Amb27589687 [1,1,0,0,0,0|2,0,0]=4 1141 B12R1.49 CON(C)Cc1ccc(Cl)cn1 Amb27751629 [1,1,0,0,0,0|2,0,0]=4 1142 B12R1.49 CON(C)Cc1ccc(Cl)nc1 Amb27467208 [1,1,0,0,0,0|2,0,0]=4 1143 B12R1.49 CON(C)Cc1ccc(F)cc1 Amb28382005 [1,1,0,0,0,0|1,0,0]=3 1144 B12R1.49 CON(C)Cc1ccc(F)cn1 Amb27187614 [1,1,0,0,0,0|2,0,0]=4 1145 B12R1.49 C[C@@H](CN)Cc1ccc(F)cc1 Amb33738467 [1,1,0,0,0,0|2,0,0]=4 1146 B12R1.49 C[C@@H](CO)Cc1ccc(F)cc1 Amb27150747 [1,1,0,0,0,0|2,0,0]=4 1147 B12R1.49 C[C@H](CN)Cc1ccc(F)cc1 Amb33737554 [1,1,0,0,0,0|2,0,0]=4 1148 B12R1.49 C[C@H](CO)Cc1ccc(F)cc1 Amb24387764 [1,1,0,0,0,0|2,0,0]=4 1149 B12R1.49 Cc1ccc(CC(C)C#N)cc1 Amb27411548 [1,1,0,0,0,0|2,0,0]=4 1150 B12R1.49 Cc1ccc(CC(C)C=O)cc1 Amb18645702 [1,1,0,0,0,0|2,0,0]=4 1151 B12R1.49 Cc1ccc(CC(C)CBr)cc1 Amb25152481 [1,1,0,0,0,0|2,0,0]=4 1152 B12R1.49 Cc1ccc(CC(C)CCl)cc1 Amb24390124 [1,1,0,0,0,0|2,0,0]=4 1153 B12R1.49 Cc1ccc(CC(C)CN)cc1 Amb5743839 [1,1,0,0,0,0|2,0,0]=4 1154 B12R1.49 Cc1ccc(CC(C)CO)cc1 Amb24354502 [1,1,0,0,0,0|2,0,0]=4 1155 B12R1.49 Cc1ccc(CC(C)NO)cc1 Amb27602730 [1,1,0,0,0,0|2,0,0]=4 1156 B12R1.49 Cc1ccc(CC(O)CCl)cc1 Amb4035233 [1,1,0,0,0,0|2,0,0]=4 1157 B12R1.49 Cc1ccc(CC(O)CN)cc1 Amb17232550 [1,1,0,0,0,0|2,0,0]=4 1158 B12R1.49 Cc1ccc(CC(O)CO)cc1 Amb27840444 [1,1,0,0,0,0|2,0,0]=4 1159 B12R1.49 Cc1ccc(C[C@@H](C)CN)cc1 Amb33732141 [1,1,0,0,0,0|2,0,0]=4 1160 B12R1.49 Cc1ccc(C[C@@H](C)CO)cc1 Amb25687834 [1,1,0,0,0,0|2,0,0]=4 1161 B12R1.49 Cc1ccc(C[C@@H](O)CO)cc1 Amb27458003 [1,1,0,0,0,0|2,0,0]=4 1162 B12R1.49 Cc1ccc(C[C@H](C)CN)cc1 Amb33737241 [1,1,0,0,0,0|2,0,0]=4 1163 B12R1.49 Cc1ccc(C[C@H](C)CO)cc1 Amb25221031 [1,1,0,0,0,0|2,0,0]=4 1164 B12R1.49 N#CC(O)Cc1ccc(F)cc1 Amb8384823 [1,1,0,0,0,0|2,0,0]=4 1165 B12R1.49 NCC(O)Cc1ccc(Br)cc1 Amb17248849 [1,1,0,0,0,0|2,0,0]=4 1166 B12R1.49 NCC(O)Cc1ccc(Cl)cc1 Amb17234269 [1,1,0,0,0,0|2,0,0]=4 1167 B12R1.49 NCC(O)Cc1ccc(F)cc1 Amb17232703 [1,1,0,0,0,0|2,0,0]=4 1168 B12R1.49 NCC(O)Cc1ccc(I)cc1 Amb28454480 [1,1,0,0,0,0|2,0,0]=4 1169 B12R1.49 NCC(O)Cc1ccc(N)cc1 Amb27406793 [1,1,0,0,0,0|2,0,0]=4 1170 B12R1.49 NCC(O)Cc1ccc(O)cc1 Amb25876680 [1,1,0,0,0,0|2,0,0]=4 1171 B12R1.49 OC(CCl)Cc1ccc(Br)cc1 Amb27416422 [1,1,0,0,0,0|2,0,0]=4 1172 B12R1.49 OCC(O)Cc1ccc(Cl)cc1 Amb26318724 [1,1,0,0,0,0|2,0,0]=4 1173 B12R1.49 OCC(O)Cc1ccc(F)cc1 Amb27416534 [1,1,0,0,0,0|2,0,0]=4 1174 B12R1.49 OC[C@@H](O)Cc1ccc(F)cc1 Amb27978223 [1,1,0,0,0,0|2,0,0]=4 1175 B12R1.49 OC[C@H](O)Cc1ccc(O)cc1 Amb28207388 [1,1,0,0,0,0|2,0,0]=4 1176 B12R1.50 C#CC(O)Cc1cccc(N)c1 Amb35620717 [1,1,0,0,0,0|1,0,1]=4 1177 B12R1.50 C=CC(O)Cc1cccc(Br)c1 Amb27840834 [1,1,0,0,0,0|1,0,1]=4 1178 B12R1.50 C=CC(O)Cc1cccc(F)c1 Amb27840833 [1,1,0,0,0,0|1,0,1]=4 1179 B12R1.50 C=CC(O)Cc1cccc(N)c1 Amb35620632 [1,1,0,0,0,0|1,0,1]=4 1180 B12R1.50 CC(C#N)Cc1cccc(Br)c1 Amb25159927 [1,1,0,0,0,0|2,0,0]=4 1181 B12R1.50 CC(C#N)Cc1cccc(Cl)c1 Amb25762801 [1,1,0,0,0,0|2,0,0]=4 1182 B12R1.50 CC(C#N)Cc1cccc(F)c1 Amb26037905 [1,1,0,0,0,0|2,0,0]=4 1183 B12R1.50 CC(C=O)Cc1cccc(Br)c1 Amb26348210 [1,1,0,0,0,0|2,0,0]=4 1184 B12R1.50 CC(C=O)Cc1cccc(F)c1 Amb25885683 [1,1,0,0,0,0|2,0,0]=4 1185 B12R1.50 CC(C=O)Cc1cccc(I)c1 Amb25850018 [1,1,0,0,0,0|2,0,0]=4 1186 B12R1.50 CC(C=O)Cc1cccc(N)c1 Amb25251154 [1,1,0,0,0,0|2,0,0]=4 1187 B12R1.50 CC(C=O)Cc1cccc(O)c1 Amb27601007 [1,1,0,0,0,0|2,0,0]=4 1188 B12R1.50 CC(CBr)Cc1cccc(Br)c1 Amb26855946 [1,1,0,0,0,0|2,0,0]=4 1189 B12R1.50 CC(CBr)Cc1cccc(Cl)c1 Amb25957906 [1,1,0,0,0,0|2,0,0]=4 1190 B12R1.50 CC(CBr)Cc1cccc(F)c1 Amb26363128 [1,1,0,0,0,0|2,0,0]=4 1191 B12R1.50 CC(CBr)Cc1cccc(O)c1 Amb24444691 [1,1,0,0,0,0|2,0,0]=4 1192 B12R1.50 CC(CCl)Cc1cccc(Br)c1 Amb24728303 [1,1,0,0,0,0|2,0,0]=4 1193 B12R1.50 CC(CCl)Cc1cccc(Cl)c1 Amb27455762 [1,1,0,0,0,0|2,0,0]=4 1194 B12R1.50 CC(CCl)Cc1cccc(F)c1 Amb26399593 [1,1,0,0,0,0|2,0,0]=4 1195 B12R1.50 CC(CCl)Cc1cccc(O)c1 Amb24537852 [1,1,0,0,0,0|2,0,0]=4 1196 B12R1.50 CC(CN)Cc1cccc(Br)c1 Amb18992227 [1,1,0,0,0,0|2,0,0]=4 1197 B12R1.50 CC(CN)Cc1cccc(Cl)c1 Amb5743847 [1,1,0,0,0,0|2,0,0]=4 1198 B12R1.50 CC(CO)Cc1cccc(F)c1 Amb25228330 [1,1,0,0,0,0|2,0,0]=4 1199 B12R1.50 CC(Cc1cccc(Cl)c1)NN Amb24434144 [1,1,0,0,0,0|2,0,0]=4 1200 B12R1.50 CCC(C)Nc1cccc(Br)c1 Amb6696680 [1,1,0,0,0,0|2,0,0]=4 1201 B12R1.50 CCC(C)Nc1cccc(C)c1 Amb6684523 [1,1,0,0,0,0|2,0,0]=4 1202 B12R1.50 CCC(C)Nc1cccc(Cl)c1 Amb6695735 [1,1,0,0,0,0|2,0,0]=4 1203 B12R1.50 CCC(C)Nc1cccc(F)c1 Amb6695894 [1,1,0,0,0,0|2,0,0]=4 1204 B12R1.50 CCC(C)Nc1cccc(I)c1 Amb7785286 [1,1,0,0,0,0|2,0,0]=4 1205 B12R1.50 CCC(C)Nc1cccc(N)c1 Amb8825433 [1,1,0,0,0,0|2,0,0]=4 1206 B12R1.50 CCC(C)Oc1cccc(Br)c1 Amb6740547 [1,1,0,0,0,0|2,0,0]=4 1207 B12R1.50 CCC(C)Oc1cccc(Cl)c1 Amb27757982 [1,1,0,0,0,0|2,0,0]=4 1208 B12R1.50 CCC(C)Oc1cccc(F)c1 Amb27879307 [1,1,0,0,0,0|2,0,0]=4 1209 B12R1.50 CCC(C)Oc1cccc(N)c1 Amb33552870 [1,1,0,0,0,0|2,0,0]=4 1210 B12R1.50 CCC(C)Oc1cccc(N)c1 Amb9778992 [1,1,0,0,0,0|2,0,0]=4 1211 B12R1.50 CCC(C)Oc1cccc(O)c1 Amb8837487 [1,1,0,0,0,0|2,0,0]=4 1212 B12R1.50 CCC(C)Sc1cccc(Cl)c1 Amb28382138 [1,1,0,0,0,0|2,0,0]=4 1213 B12R1.50 CCC(C)Sc1cccc(F)c1 Amb27651316 [1,1,0,0,0,0|2,0,0]=4 1214 B12R1.50 CCC(Cl)Cc1cccc(Br)c1 Amb17477597 [1,1,0,0,0,0|2,0,0]=4 1215 B12R1.50 CCC(Cl)Cc1cccc(F)c1 Amb19046367 [1,1,0,0,0,0|2,0,0]=4 1216 B12R1.50 CCC(N)Cc1cccc(C)c1 Amb9428906 [1,1,0,0,0,0|2,0,0]=4 1217 B12R1.50 CCC(N)Cc1cccc(Cl)c1 Amb9428876 [1,1,0,0,0,0|2,0,0]=4 1218 B12R1.50 CCC(N)Cc1cccc(F)c1 Amb9428915 [1,1,0,0,0,0|2,0,0]=4 1219 B12R1.50 CCC(N)Cc1cccc(N)c1 Amb27467745 [1,1,0,0,0,0|2,0,0]=4 1220 B12R1.50 CCC(O)Cc1cccc(Br)c1 Amb17477580 [1,1,0,0,0,0|1,0,0]=3 1221 B12R1.50 CCC(O)Cc1cccc(C)c1 Amb17138582 [1,1,0,0,0,0|1,0,0]=3 1222 B12R1.50 CCC(O)Cc1cccc(Cl)c1 Amb17139102 [1,1,0,0,0,0|1,0,0]=3 1223 B12R1.50 CCC(O)Cc1cccc(F)c1 Amb17138636 [1,1,0,0,0,0|1,0,0]=3 1224 B12R1.50 CCC(O)Cc1cccc(N)c1 Amb35620551 [1,1,0,0,0,0|1,0,0]=3 1225 B12R1.50 CCC(O)Sc1cccc(C)c1 Amb22228367 [1,1,0,0,0,0|2,0,0]=4 1226 B12R1.50 CCN(C)Cc1cccc(F)c1 Amb28291896 [1,1,0,0,0,0|2,0,0]=4 1227 B12R1.50 CCN(C)Cc1cccc(O)c1 Amb28367587 [1,1,0,0,0,0|2,0,0]=4 1228 B12R1.50 CC[C@@H](N)Cc1cccc(Cl)c1 Amb27950246 [1,1,0,0,0,0|2,0,0]=4 1229 B12R1.50 CC[C@H](C)Oc1cccc(O)c1 Amb24497029 [1,1,0,0,0,0|2,0,0]=4 1230 B12R1.50 CC[C@H](N)Cc1cccc(C)c1 Amb27178383 [1,1,0,0,0,0|2,0,0]=4 1231 B12R1.50 CC[C@H](N)Cc1cccc(F)c1 Amb27770954 [1,1,0,0,0,0|2,0,0]=4 1232 B12R1.50 CNC(C)Cc1cc(C)ccn1 Amb1995160 [1,1,0,0,0,0|2,0,0]=4 1233 B12R1.50 CNC(C)Cc1cccc(Br)c1 Amb27172850 [1,1,0,0,0,0|1,0,0]=3 1234 B12R1.50 CNC(C)Cc1cccc(C)c1 Amb33533194 [1,1,0,0,0,0|1,0,0]=3 1235 B12R1.50 CNC(C)Cc1cccc(C)c1 Amb5735452 [1,1,0,0,0,0|1,0,0]=3 1236 B12R1.50 CNC(C)Cc1cccc(C)n1 Amb1995163 [1,1,0,0,0,0|2,0,0]=4 1237 B12R1.50 CNC(C)Cc1cccc(F)c1 Amb18792939 [1,1,0,0,0,0|1,0,0]=3 1238 B12R1.50 CNC(C)Cc1cccc(N)c1 Amb27430457 [1,1,0,0,0,0|1,0,0]=3 1239 B12R1.50 CN[C@@H](C)Cc1cccc(O)c1 Amb25697180 [1,1,0,0,0,0|1,0,0]=3 1240 B12R1.50 COC(=O)Cc1cccc(Br)c1 Amb2696963 [1,1,0,0,0,0|0,0,2]=4 1241 B12R1.50 COC(=O)Cc1cccc(C)c1 Amb8517236 [1,1,0,0,0,0|0,0,2]=4 1242 B12R1.50 COC(=O)Cc1cccc(Cl)c1 Amb6365713 [1,1,0,0,0,0|0,0,2]=4 1243 B12R1.50 COC(=O)Cc1cccc(F)c1 Amb6357324 [1,1,0,0,0,0|0,0,2]=4 1244 B12R1.50 COC(=O)Cc1cccc(I)c1 Amb26016370 [1,1,0,0,0,0|0,0,2]=4 1245 B12R1.50 COC(=O)Cc1cccc(N)c1 Amb10071208 [1,1,0,0,0,0|0,0,2]=4 1246 B12R1.50 COC(=O)Cc1cccc(N)c1 Amb6296533 [1,1,0,0,0,0|0,0,2]=4 1247 B12R1.50 COC(=O)Cc1cccc(O)c1 Amb3941018 [1,1,0,0,0,0|0,0,2]=4 1248 B12R1.50 COC(C)Cc1nccc(F)n1 Amb35649155 [1,1,0,0,0,0|2,0,0]=4 1249 B12R1.50 CON(C)Cc1cccc(Br)n1 Amb27178908 [1,1,0,0,0,0|2,0,0]=4 1250 B12R1.50 CON(C)Cc1cccc(F)c1 Amb27178941 [1,1,0,0,0,0|1,0,0]=3 1251 B12R1.50 CON(C)Cc1ccnc(Cl)c1 Amb27834765 [1,1,0,0,0,0|2,0,0]=4 1252 B12R1.50 CON(C)Cc1cncc(C)c1 Amb27178943 [1,1,0,0,0,0|2,0,0]=4 1253 B12R1.50 Cc1cccc(CC(C)C#N)c1 Amb27242720 [1,1,0,0,0,0|2,0,0]=4 1254 B12R1.50 Cc1cccc(CC(C)C=O)c1 Amb25120274 [1,1,0,0,0,0|2,0,0]=4 1255 B12R1.50 Cc1cccc(CC(C)CBr)c1 Amb26022086 [1,1,0,0,0,0|2,0,0]=4 1256 B12R1.50 Cc1cccc(CC(C)CCl)c1 Amb26412261 [1,1,0,0,0,0|2,0,0]=4 1257 B12R1.50 Cc1cccc(CC(C)CN)c1 Amb5743838 [1,1,0,0,0,0|2,0,0]=4 1258 B12R1.50 Cc1cccc(CC(C)CO)c1 Amb24341616 [1,1,0,0,0,0|2,0,0]=4 1259 B12R1.50 Cc1cccc(CC(O)CN)c1 Amb17232548 [1,1,0,0,0,0|2,0,0]=4 1260 B12R1.50 Cc1cccc(C[C@@H](C)CN)c1 Amb33732120 [1,1,0,0,0,0|2,0,0]=4 1261 B12R1.50 Cc1cccc(C[C@@H](C)CO)c1 Amb33740504 [1,1,0,0,0,0|2,0,0]=4 1262 B12R1.50 Cc1cccc(C[C@H](C)CN)c1 Amb33746819 [1,1,0,0,0,0|2,0,0]=4 1263 B12R1.50 Cc1cccc(C[C@H](C)CO)c1 Amb33737856 [1,1,0,0,0,0|2,0,0]=4 1264 B12R1.50 Cc1cccc(C[C@H](O)CO)c1 Amb27653167 [1,1,0,0,0,0|2,0,0]=4 1265 B12R1.50 NCC(O)Cc1cccc(Br)c1 Amb17248846 [1,1,0,0,0,0|2,0,0]=4 1266 B12R1.50 NCC(O)Cc1cccc(Cl)c1 Amb17234266 [1,1,0,0,0,0|2,0,0]=4 1267 B12R1.50 NCC(O)Cc1cccc(F)c1 Amb18563898 [1,1,0,0,0,0|2,0,0]=4 1268 B12R1.50 NCC(O)Cc1cccc(O)c1 Amb25892760 [1,1,0,0,0,0|2,0,0]=4 1269 B12R1.50 OC(CCl)Cc1cccc(Br)c1 Amb35591758 [1,1,0,0,0,0|2,0,0]=4 1270 B12R1.50 OCC(O)Cc1cccc(F)c1 Amb28138541 [1,1,0,0,0,0|2,0,0]=4 1271 B12R1.50 OC[C@H](O)Cc1cccc(F)c1 Amb27485894 [1,1,0,0,0,0|2,0,0]=4 1272 B12R1.194 C#CC(C)(C)Cc1ccccc1 Amb28044775 [1,1,0,0,0,0|1,0,1]=4 1273 B12R1.194 C#CC(C)(O)Cc1ccccc1 Amb1083082 [1,1,0,0,0,0|1,0,1]=4 1274 B12R1.194 C#C[C@](C)(N)Cc1ccccc1 Amb28319360 [1,1,0,0,0,0|1,0,1]=4 1275 B12R1.194 C=CC(C)(O)Cc1ccccc1 Amb27876057 [1,1,0,0,0,0|1,0,1]=4 1276 B12R1.194 CC(C)(C#N)Cc1ccccc1 Amb17333794 [1,1,0,0,0,0|2,0,0]=4 1277 B12R1.194 CC(C)(C=O)Cc1ccccc1 Amb4358578 [1,1,0,0,0,0|2,0,0]=4 1278 B12R1.194 CC(C)(CBr)Cc1ccccc1 Amb27748554 [1,1,0,0,0,0|2,0,0]=4 1279 B12R1.194 CC(C)(CCl)Cc1ccccc1 Amb26495593 [1,1,0,0,0,0|2,0,0]=4 1280 B12R1.194 CC(C)(CN)Cc1ccccc1 Amb17333839 [1,1,0,0,0,0|2,0,0]=4 1281 B12R1.194 CC(C)(CN)Cc1ccccc1 Amb19310600 [1,1,0,0,0,0|2,0,0]=4 1282 B12R1.194 CC(C)(CO)Cc1ccccc1 Amb4021846 [1,1,0,0,0,0|2,0,0]=4 1283 B12R1.194 CC(C)(Cc1ccccc1)N=O Amb22055953 [1,1,0,0,0,0|2,0,0]=4 1284 B12R1.194 CC(C)(Cc1ccccc1)NO Amb24411489 [1,1,0,0,0,0|2,0,0]=4 1285 B12R1.194 CC(C)(Cc1ccccc1)ON Amb32953153 [1,1,0,0,0,0|1,0,0]=3 1286 B12R1.194 CC(F)(CN)Cc1ccccc1 Amb28120778 [1,1,0,0,0,0|2,0,0]=4 1287 B12R1.194 CC(N)(C#N)Cc1ccccc1 Amb17232330 [1,1,0,0,0,0|2,0,0]=4 1288 B12R1.194 CC(N)(CO)Cc1ccccc1 Amb19001800 [1,1,0,0,0,0|2,0,0]=4 1289 B12R1.194 CC(O)(C#N)Cc1ccccc1 Amb18177733 [1,1,0,0,0,0|2,0,0]=4 1290 B12R1.194 CC(O)(C=O)Cc1ccccc1 Amb27399998 [1,1,0,0,0,0|2,0,0]=4 1291 B12R1.194 CC(O)(CCl)Cc1ccccc1 Amb28118919 [1,1,0,0,0,0|2,0,0]=4 1292 B12R1.194 CC(O)(CN)Cc1ccccc1 Amb17082131 [1,1,0,0,0,0|2,0,0]=4 1293 B12R1.194 CC(O)(CO)Cc1ccccc1 Amb28138963 [1,1,0,0,0,0|2,0,0]=4 1294 B12R1.194 CC(S)(CN)Cc1ccccc1 Amb28141193 [1,1,0,0,0,0|2,0,0]=4 1295 B12R1.194 CCC(C)(C)Oc1ccccc1 Amb27967379 [1,1,0,0,0,0|2,0,0]=4 1296 B12R1.194 CCC(C)(N)Cc1ccccn1 Amb27397125 [1,1,0,0,0,0|2,0,0]=4 1297 B12R1.194 CCC(C)(N)Cc1cccnc1 Amb28430686 [1,1,0,0,0,0|2,0,0]=4 1298 B12R1.194 CCC(C)(O)Cc1ccccn1 Amb27830373 [1,1,0,0,0,0|2,0,0]=4 1299 B12R1.194 CCC(C)(O)Cc1cccnc1 Amb27851308 [1,1,0,0,0,0|2,0,0]=4 1300 B12R1.194 CC[N+](C)(C)Cc1ccccc1 Amb27156320 [1,1,0,0,0,0|2,0,0]=4 1301 B12R1.194 CNC(C)(C)Cc1ccccc1 Amb6336482 [1,1,0,0,0,0|1,0,0]=3 1302 B12R1.194 CNC(C)(C)Cc1ccccn1 Amb26883824 [1,1,0,0,0,0|2,0,0]=4 1303 B12R1.194 CNC(C)(C)Cc1cccnc1 Amb24544019 [1,1,0,0,0,0|2,0,0]=4 1304 B12R1.194 CNC(C)(C)Cc1ccncc1 Amb26961900 [1,1,0,0,0,0|2,0,0]=4 1305 B12R1.194 CNC(C)(O)Cc1ccccc1 Amb27204847 [1,1,0,0,0,0|1,0,0]=3 1306 B12R1.194 COP(C)(=S)Oc1ccccc1 Amb27635863 [1,1,0,0,0,0|2,0,0]=4 1307 B12R1.194 COP(C)(=S)Sc1ccccc1 Amb26645101 [1,1,0,0,0,0|2,0,0]=4 1308 B12R1.194 COS(=O)(=O)Cc1ccccc1 Amb28244702 [1,1,0,0,0,0|1,0,1]=4 1309 B12R1.194 CO[Si](C)(C)Cc1ccccc1 Amb22167044 [1,1,0,0,0,0|0,1,0]=3 1310 B12R1.194 C[C@@](N)(CO)Cc1ccccc1 Amb26371721 [1,1,0,0,0,0|2,0,0]=4 1311 B12R1.194 C[C@@](O)(C=O)Cc1ccccc1 Amb27748618 [1,1,0,0,0,0|2,0,0]=4 1312 B12R1.194 C[C@](N)(CO)Cc1ccccc1 Amb28396546 [1,1,0,0,0,0|2,0,0]=4 1313 B12R1.371 C#CC(O)Cc1ccccc1Br Amb35691448 [1,1,0,0,0,0|1,0,1]=4 1314 B12R1.371 C=CC(O)Cc1ccccc1C Amb28401244 [1,1,0,0,0,0|1,0,1]=4 1315 B12R1.371 C=CC(O)Cc1ccccc1Cl Amb27211337 [1,1,0,0,0,0|1,0,1]=4 1316 B12R1.371 C=CC(O)Cc1ccccc1F Amb27431183 [1,1,0,0,0,0|1,0,1]=4 1317 B12R1.371 CC(C#N)Cc1ccccc1Br Amb26955520 [1,1,0,0,0,0|2,0,0]=4 1318 B12R1.371 CC(C#N)Cc1ccccc1Cl Amb25717018 [1,1,0,0,0,0|2,0,0]=4 1319 B12R1.371 CC(C#N)Cc1ccccc1F Amb28255995 [1,1,0,0,0,0|2,0,0]=4 1320 B12R1.371 CC(C=O)Cc1ccccc1Br Amb25324057 [1,1,0,0,0,0|2,0,0]=4 1321 B12R1.371 CC(C=O)Cc1ccccc1Cl Amb26398801 [1,1,0,0,0,0|2,0,0]=4 1322 B12R1.371 CC(C=O)Cc1ccccc1F Amb24429443 [1,1,0,0,0,0|2,0,0]=4 1323 B12R1.371 CC(C=O)Cc1ccccc1I Amb24437612 [1,1,0,0,0,0|2,0,0]=4 1324 B12R1.371 CC(C=O)Cc1ccccc1N Amb27166705 [1,1,0,0,0,0|2,0,0]=4 1325 B12R1.371 CC(C=O)Cc1ccccc1O Amb25313067 [1,1,0,0,0,0|2,0,0]=4 1326 B12R1.371 CC(CBr)Cc1ccccc1Br Amb25040689 [1,1,0,0,0,0|2,0,0]=4 1327 B12R1.371 CC(CBr)Cc1ccccc1Cl Amb28043482 [1,1,0,0,0,0|2,0,0]=4 1328 B12R1.371 CC(CBr)Cc1ccccc1F Amb25741700 [1,1,0,0,0,0|2,0,0]=4 1329 B12R1.371 CC(CCl)Cc1ccccc1Br Amb26645125 [1,1,0,0,0,0|2,0,0]=4 1330 B12R1.371 CC(CCl)Cc1ccccc1Cl Amb25997478 [1,1,0,0,0,0|2,0,0]=4 1331 B12R1.371 CC(CCl)Cc1ccccc1F Amb25349982 [1,1,0,0,0,0|2,0,0]=4 1332 B12R1.371 CC(CN)Cc1ccccc1Br Amb18992226 [1,1,0,0,0,0|2,0,0]=4 1333 B12R1.371 CC(CN)Cc1ccccc1Cl Amb5743846 [1,1,0,0,0,0|2,0,0]=4 1334 B12R1.371 CC(CN)Cc1ccccc1F Amb5743840 [1,1,0,0,0,0|2,0,0]=4 1335 B12R1.371 CC(CO)Cc1ccccc1F Amb26508993 [1,1,0,0,0,0|2,0,0]=4 1336 B12R1.371 CC(CO)Cc1ccccc1O Amb28061434 [1,1,0,0,0,0|2,0,0]=4 1337 B12R1.371 CC(Cc1ccccc1Br)NN Amb27623259 [1,1,0,0,0,0|2,0,0]=4 1338 B12R1.371 CC(Cc1ccccc1F)NN Amb28421760 [1,1,0,0,0,0|2,0,0]=4 1339 B12R1.371 CC(Cc1ccccc1O)NO Amb28074598 [1,1,0,0,0,0|2,0,0]=4 1340 B12R1.371 CCC(C)Cc1ccccc1O Amb27177732 [1,1,0,0,0,0|1,0,0]=3 1341 B12R1.371 CCC(C)Cc1cnccc1N Amb27954500 [1,1,0,0,0,0|2,0,0]=4 1342 B12R1.371 CCC(C)Nc1ccccc1Br Amb6696460 [1,1,0,0,0,0|2,0,0]=4 1343 B12R1.371 CCC(C)Nc1ccccc1C Amb6701228 [1,1,0,0,0,0|2,0,0]=4 1344 B12R1.371 CCC(C)Nc1ccccc1Cl Amb6696915 [1,1,0,0,0,0|2,0,0]=4 1345 B12R1.371 CCC(C)Nc1ccccc1F Amb6697377 [1,1,0,0,0,0|2,0,0]=4 1346 B12R1.371 CCC(C)Nc1ccccc1I Amb7785642 [1,1,0,0,0,0|2,0,0]=4 1347 B12R1.371 CCC(C)Nc1ccccc1O Amb27760304 [1,1,0,0,0,0|2,0,0]=4 1348 B12R1.371 CCC(C)Oc1ccccc1C Amb28364230 [1,1,0,0,0,0|2,0,0]=4 1349 B12R1.371 CCC(C)Oc1ccccc1Cl Amb27175754 [1,1,0,0,0,0|2,0,0]=4 1350 B12R1.371 CCC(C)Oc1ccccc1N Amb9702145 [1,1,0,0,0,0|2,0,0]=4 1351 B12R1.371 CCC(C)Sc1ccccc1Br Amb27835038 [1,1,0,0,0,0|2,0,0]=4 1352 B12R1.371 CCC(Cl)Cc1ccccc1C Amb17477425 [1,1,0,0,0,0|2,0,0]=4 1353 B12R1.371 CCC(Cl)Cc1ccccc1F Amb19046368 [1,1,0,0,0,0|2,0,0]=4 1354 B12R1.371 CCC(N)Cc1ccccc1Br Amb20627508 [1,1,0,0,0,0|2,0,0]=4 1355 B12R1.371 CCC(N)Cc1ccccc1Br Amb9428862 [1,1,0,0,0,0|2,0,0]=4 1356 B12R1.371 CCC(N)Cc1ccccc1C Amb9428910 [1,1,0,0,0,0|2,0,0]=4 1357 B12R1.371 CCC(N)Cc1ccccc1Cl Amb9428938 [1,1,0,0,0,0|2,0,0]=4 1358 B12R1.371 CCC(N)Cc1ccccc1F Amb9428867 [1,1,0,0,0,0|2,0,0]=4 1359 B12R1.371 CCC(O)Cc1ccccc1Br Amb24465632 [1,1,0,0,0,0|1,0,0]=3 1360 B12R1.371 CCC(O)Cc1ccccc1C Amb17138581 [1,1,0,0,0,0|1,0,0]=3 1361 B12R1.371 CCC(O)Cc1ccccc1Cl Amb17139101 [1,1,0,0,0,0|1,0,0]=3 1362 B12R1.371 CCC(O)Cc1ccccc1F Amb17138635 [1,1,0,0,0,0|1,0,0]=3 1363 B12R1.371 CCC(O)Cc1ccccc1N Amb25335274 [1,1,0,0,0,0|1,0,0]=3 1364 B12R1.371 CCC(O)Sc1ccccc1C Amb22228394 [1,1,0,0,0,0|2,0,0]=4 1365 B12R1.371 CCN(C)Cc1ccccc1Cl Amb28126470 [1,1,0,0,0,0|2,0,0]=4 1366 B12R1.371 CC[C@@H](C)Cc1ccccc1O Amb28243798 [1,1,0,0,0,0|1,0,0]=3 1367 B12R1.371 CC[C@@H](N)Cc1ccccc1Br Amb27459365 [1,1,0,0,0,0|2,0,0]=4 1368 B12R1.371 CC[C@@H](N)Cc1ccccc1Cl Amb27668323 [1,1,0,0,0,0|2,0,0]=4 1369 B12R1.371 CNC(C)Cc1ccccc1C Amb24271197 [1,1,0,0,0,0|1,0,0]=3 1370 B12R1.371 CNC(C)Cc1ccccc1C Amb5735451 [1,1,0,0,0,0|1,0,0]=3 1371 B12R1.371 CNC(C)Cc1ccccc1I Amb27178924 [1,1,0,0,0,0|1,0,0]=3 1372 B12R1.371 CNC(C)Cc1ccccc1O Amb28456494 [1,1,0,0,0,0|1,0,0]=3 1373 B12R1.371 CNC(C)Cc1ncccc1Br Amb28190371 [1,1,0,0,0,0|2,0,0]=4 1374 B12R1.371 CNC(C)Cc1ncccc1C Amb1995153 [1,1,0,0,0,0|2,0,0]=4 1375 B12R1.371 COC(=O)Cc1ccccc1Br Amb8471030 [1,1,0,0,0,0|0,0,2]=4 1376 B12R1.371 COC(=O)Cc1ccccc1C Amb6357785 [1,1,0,0,0,0|0,0,2]=4 1377 B12R1.371 COC(=O)Cc1ccccc1Cl Amb6365742 [1,1,0,0,0,0|0,0,2]=4 1378 B12R1.371 COC(=O)Cc1ccccc1F Amb6336633 [1,1,0,0,0,0|0,0,2]=4 1379 B12R1.371 COC(=O)Cc1ccccc1I Amb22749395 [1,1,0,0,0,0|0,0,2]=4 1380 B12R1.371 COC(=O)Cc1ccccc1N Amb20623565 [1,1,0,0,0,0|0,0,2]=4 1381 B12R1.371 COC(=O)Cc1ccccc1N Amb8427007 [1,1,0,0,0,0|0,0,2]=4 1382 B12R1.371 COC(=O)Cc1ccccc1O Amb2699823 [1,1,0,0,0,0|0,0,2]=4 1383 B12R1.371 COC(C)CN1C=CC=CC1=O Amb28072405 [1,1,0,0,0,0|1,0,0]=3 1384 B12R1.371 COC(C)CN1C=CN=CC1=O Amb28430388 [1,1,0,0,0,0|2,0,0]=4 1385 B12R1.371 COC(C)Sc1ccccc1O Amb27486157 [1,1,0,0,0,0|1,0,0]=3 1386 B12R1.371 CON(C)Cc1ccccc1C Amb27178942 [1,1,0,0,0,0|1,0,0]=3 1387 B12R1.371 CON(C)Cc1ccccc1F Amb27665165 [1,1,0,0,0,0|1,0,0]=3 1388 B12R1.371 CON(C)Cc1cccnc1Cl Amb27766314 [1,1,0,0,0,0|2,0,0]=4 1389 B12R1.371 CON(C)Cc1ccncc1Cl Amb27479598 [1,1,0,0,0,0|2,0,0]=4 1390 B12R1.371 CON(C)Cc1cnccc1C Amb28064786 [1,1,0,0,0,0|2,0,0]=4 1391 B12R1.371 COP(C)Oc1ccccc1N Amb27251279 [1,1,0,0,0,0|2,0,0]=4 1392 B12R1.371 C[C@@H](CN)Cc1ccccc1F Amb33731703 [1,1,0,0,0,0|2,0,0]=4 1393 B12R1.371 C[C@@H](CO)Cc1ccccc1Cl Amb28207131 [1,1,0,0,0,0|2,0,0]=4 1394 B12R1.371 C[C@@H](CO)Cc1ccccc1F Amb26956773 [1,1,0,0,0,0|2,0,0]=4 1395 B12R1.371 C[C@H](CN)Cc1ccccc1F Amb33747137 [1,1,0,0,0,0|2,0,0]=4 1396 B12R1.371 C[C@H](CO)Cc1ccccc1F Amb25837933 [1,1,0,0,0,0|2,0,0]=4 1397 B12R1.371 C\C=C(\C)Cc1ccccc1O Amb24380771 [1,1,0,0,0,0|1,0,1]=4 1398 B12R1.371 Cc1ccccc1CC(C)C#N Amb27149910 [1,1,0,0,0,0|2,0,0]=4 1399 B12R1.371 Cc1ccccc1CC(C)C=O Amb18645713 [1,1,0,0,0,0|2,0,0]=4 1400 B12R1.371 Cc1ccccc1CC(C)CBr Amb25733982 [1,1,0,0,0,0|2,0,0]=4 1401 B12R1.371 Cc1ccccc1CC(C)CCl Amb28422132 [1,1,0,0,0,0|2,0,0]=4 1402 B12R1.371 Cc1ccccc1CC(C)CN Amb5743837 [1,1,0,0,0,0|2,0,0]=4 1403 B12R1.371 Cc1ccccc1CC(C)CO Amb25152371 [1,1,0,0,0,0|2,0,0]=4 1404 B12R1.371 Cc1ccccc1CC(O)C#N Amb28244190 [1,1,0,0,0,0|2,0,0]=4 1405 B12R1.371 Cc1ccccc1CC(O)CN Amb17232545 [1,1,0,0,0,0|2,0,0]=4 1406 B12R1.371 Cc1ccccc1CC(O)CN Amb32661067 [1,1,0,0,0,0|2,0,0]=4 1407 B12R1.371 Cc1ccccc1C[C@@H](C)CN Amb33747733 [1,1,0,0,0,0|2,0,0]=4 1408 B12R1.371 Cc1ccccc1C[C@@H](C)CO Amb33746673 [1,1,0,0,0,0|2,0,0]=4 1409 B12R1.371 Cc1ccccc1C[C@H](C)CN Amb33738932 [1,1,0,0,0,0|2,0,0]=4 1410 B12R1.371 Cc1ccccc1C[C@H](C)CO Amb33738161 [1,1,0,0,0,0|2,0,0]=4 1411 B12R1.371 NCC(O)Cc1ccccc1Br Amb18069447 [1,1,0,0,0,0|2,0,0]=4 1412 B12R1.371 NCC(O)Cc1ccccc1Cl Amb17234263 [1,1,0,0,0,0|2,0,0]=4 1413 B12R1.371 NCC(O)Cc1ccccc1Cl Amb32652702 [1,1,0,0,0,0|2,0,0]=4 1414 B12R1.371 NCC(O)Cc1ccccc1F Amb17232700 [1,1,0,0,0,0|2,0,0]=4 1415 B12R1.371 NCC(O)Cc1ccccc1O Amb26883501 [1,1,0,0,0,0|2,0,0]=4 1416 B12R1.3 CCC(CCN)c1ccccc1 Amb5739026 [0,1,0,0,1,0|2,0,0]=4 1417 B12R1.3 CCC(CCO)c1ccccc1 Amb17232488 [0,1,0,0,1,0|2,0,0]=4 1418 B12R1.3 CCC(CNC)c1ccccc1 Amb8841502 [0,1,0,0,1,0|2,0,0]=4 1419 B12R1.3 CCCC(CC)c1ccccc1 Amb9787575 [0,1,0,0,1,0|2,0,0]=4 1420 B12R1.3 CCNC(CC)c1ccccc1 Amb9721097 [0,1,0,0,1,0|2,0,0]=4 1421 B12R1.3 CCOC(C#N)c1ccccc1 Amb27828457 [0,1,0,0,1,0|2,0,0]=4 1422 B12R1.3 CCOC(CBr)c1ccccc1 Amb33348513 [0,1,0,0,1,0|2,0,0]=4 1423 B12R1.3 CCOC(CI)c1ccccc1 Amb33349128 [0,1,0,0,1,0|2,0,0]=4 1424 B12R1.3 CCOC(CN)c1ccccc1 Amb17605997 [0,1,0,0,1,0|2,0,0]=4 1425 B12R1.3 CCOC(CN)c1ccccc1 Amb33447126 [0,1,0,0,1,0|2,0,0]=4 1426 B12R1.3 CNC(CCO)c1ccccc1 Amb18563697 [0,1,0,0,1,0|2,0,0]=4 1427 B12R1.3 CNC(COC)c1ccccn1 Amb10607923 [0,1,0,0,1,0|2,0,0]=4 1428 B12R1.3 CNCC(OC)c1ccccc1 Amb17605856 [0,1,0,0,1,0|1,0,0]=3 1429 B12R1.3 CN\C(=N\OC)c1ccccc1 Amb24519522 [0,1,0,0,1,0|1,0,1]=4 1430 B12R1.3 COC(CCN)c1ccccc1 Amb17334641 [0,1,0,0,1,0|1,0,0]=3 1431 B12R1.3 COC(N=[N+]=[N-])c1ccccc1 Amb28143658 [0,1,0,0,1,0|2,0,0]=4 1432 B12R1.3 COCC(CBr)c1ccccc1 Amb32688366 [0,1,0,0,1,0|2,0,0]=4 1433 B12R1.3 COCC(CCl)c1ccccc1 Amb32688364 [0,1,0,0,1,0|2,0,0]=4 1434 B12R1.12 CCC(CC)c1ccc(C)cc1 Amb8392297 [0,1,0,0,1,0|2,0,0]=4 1435 B12R1.12 CCC(CC)c1ccc(N)cc1 Amb27477960 [0,1,0,0,1,0|2,0,0]=4 1436 B12R1.12 CCC(CC)c1ccc(O)cc1 Amb17594075 [0,1,0,0,1,0|2,0,0]=4 1437 B12R1.12 CCC(NC)c1ccc(Br)cc1 Amb18015146 [0,1,0,0,1,0|2,0,0]=4 1438 B12R1.12 CCC(NC)c1ccc(Br)cc1 Amb2586521 [0,1,0,0,1,0|2,0,0]=4 1439 B12R1.12 CCC(NC)c1ccc(C)cc1 Amb1112139 [0,1,0,0,1,0|2,0,0]=4 1440 B12R1.12 CCC(NC)c1ccc(Cl)cc1 Amb1139852 [0,1,0,0,1,0|2,0,0]=4 1441 B12R1.12 CCC(NC)c1ccc(F)cc1 Amb1113198 [0,1,0,0,1,0|2,0,0]=4 1442 B12R1.12 COB(OC)c1ccc(C)nc1 Amb25097047 [0,1,0,0,1,0|2,0,0]=4 1443 B12R1.12 COC(C#N)c1ccc(Br)cc1 Amb25121393 [0,1,0,0,1,0|2,0,0]=4 1444 B12R1.12 COC(C#N)c1ccc(F)cc1 Amb19149310 [0,1,0,0,1,0|2,0,0]=4 1445 B12R1.12 COC(C#N)c1ccc(I)cc1 Amb27171133 [0,1,0,0,1,0|2,0,0]=4 1446 B12R1.12 COC(C#N)c1ccc(O)cc1 Amb28322026 [0,1,0,0,1,0|2,0,0]=4 1447 B12R1.12 COC(C=O)c1ccc(O)cc1 Amb27966172 [0,1,0,0,1,0|2,0,0]=4 1448 B12R1.12 COC(CBr)c1ccc(Br)cc1 Amb26970900 [0,1,0,0,1,0|2,0,0]=4 1449 B12R1.12 COC(CBr)c1ccc(C)cc1 Amb25713167 [0,1,0,0,1,0|2,0,0]=4 1450 B12R1.12 COC(CBr)c1ccc(Cl)cc1 Amb27425315 [0,1,0,0,1,0|2,0,0]=4 1451 B12R1.12 COC(CBr)c1ccc(F)cc1 Amb24449281 [0,1,0,0,1,0|2,0,0]=4 1452 B12R1.12 COC(CCl)c1ccc(Cl)cc1 Amb27644749 [0,1,0,0,1,0|2,0,0]=4 1453 B12R1.12 COC(CCl)c1ccc(N)cc1 Amb27760519 [0,1,0,0,1,0|2,0,0]=4 1454 B12R1.12 COC(CI)c1ccc(Br)cc1 Amb26374156 [0,1,0,0,1,0|2,0,0]=4 1455 B12R1.12 COC(CI)c1ccc(C)cc1 Amb25851917 [0,1,0,0,1,0|2,0,0]=4 1456 B12R1.12 COC(CI)c1ccc(Cl)cc1 Amb26374159 [0,1,0,0,1,0|2,0,0]=4 1457 B12R1.12 COC(CI)c1ccc(F)cc1 Amb24412461 [0,1,0,0,1,0|2,0,0]=4 1458 B12R1.12 COC(CN)c1ccc(Br)cc1 Amb17344449 [0,1,0,0,1,0|2,0,0]=4 1459 B12R1.12 COC(CN)c1ccc(C)cc1 Amb17334642 [0,1,0,0,1,0|2,0,0]=4 1460 B12R1.12 COC(CN)c1ccc(Cl)cc1 Amb17335809 [0,1,0,0,1,0|2,0,0]=4 1461 B12R1.12 COC(CN)c1ccc(Cl)cc1 Amb33550028 [0,1,0,0,1,0|2,0,0]=4 1462 B12R1.12 COC(CN)c1ccc(F)cc1 Amb19149303 [0,1,0,0,1,0|2,0,0]=4 1463 B12R1.12 COC(CN)c1ccc(F)cc1 Amb8010761 [0,1,0,0,1,0|2,0,0]=4 1464 B12R1.12 COC(CN)c1ccc(I)cc1 Amb26642829 [0,1,0,0,1,0|2,0,0]=4 1465 B12R1.12 COC(CO)c1ccc(Cl)cc1 Amb27615553 [0,1,0,0,1,0|2,0,0]=4 1466 B12R1.12 COC(CO)c1ccc(F)cc1 Amb32668361 [0,1,0,0,1,0|2,0,0]=4 1467 B12R1.12 COC(OC)c1ccc(Br)nc1 Amb27416391 [0,1,0,0,1,0|1,0,0]=3 1468 B12R1.12 COC(OC)c1ccc(C)cc1 Amb24066891 [0,1,0,0,1,0|0,0,0]=2 1469 B12R1.12 COC(OC)c1ccc(Cl)cc1 Amb8389788 [0,1,0,0,1,0|0,0,0]=2 1470 B12R1.12 COC(OC)c1ccc(N)cc1 Amb27657692 [0,1,0,0,1,0|0,0,0]=2 1471 B12R1.12 COC(OC)c1cnc(N)cn1 Amb27175795 [0,1,0,0,1,0|2,0,0]=4 1472 B12R1.13 CCC(CC)c1cccc(O)c1 Amb26599365 [0,1,0,0,1,0|2,0,0]=4 1473 B12R1.13 CCC(OC)c1cccc(N)c1 Amb23443785 [0,1,0,0,1,0|1,0,0]=3 1474 B12R1.13 CC[C@H](NC)c1cccc(F)c1 Amb28066704 [0,1,0,0,1,0|2,0,0]=4 1475 B12R1.13 COC(C#N)c1cccc(Cl)c1 Amb19148908 [0,1,0,0,1,0|2,0,0]=4 1476 B12R1.13 COC(C#N)c1cccc(F)c1 Amb24367033 [0,1,0,0,1,0|2,0,0]=4 1477 B12R1.13 COC(C#N)c1cccc(I)c1 Amb27272880 [0,1,0,0,1,0|2,0,0]=4 1478 B12R1.13 COC(C=O)c1cccc(C)c1 Amb27665986 [0,1,0,0,1,0|2,0,0]=4 1479 B12R1.13 COC(CBr)c1cccc(Br)c1 Amb25099785 [0,1,0,0,1,0|2,0,0]=4 1480 B12R1.13 COC(CBr)c1cccc(C)c1 Amb26841916 [0,1,0,0,1,0|2,0,0]=4 1481 B12R1.13 COC(CBr)c1cccc(Cl)c1 Amb26373428 [0,1,0,0,1,0|2,0,0]=4 1482 B12R1.13 COC(CBr)c1cccc(F)c1 Amb25667134 [0,1,0,0,1,0|2,0,0]=4 1483 B12R1.13 COC(CI)c1cccc(Br)c1 Amb24618952 [0,1,0,0,1,0|2,0,0]=4 1484 B12R1.13 COC(CI)c1cccc(C)c1 Amb25188246 [0,1,0,0,1,0|2,0,0]=4 1485 B12R1.13 COC(CI)c1cccc(Cl)c1 Amb26863375 [0,1,0,0,1,0|2,0,0]=4 1486 B12R1.13 COC(CI)c1cccc(F)c1 Amb25823221 [0,1,0,0,1,0|2,0,0]=4 1487 B12R1.13 COC(CN)c1cccc(Br)c1 Amb17605858 [0,1,0,0,1,0|2,0,0]=4 1488 B12R1.13 COC(CN)c1cccc(C)c1 Amb18980157 [0,1,0,0,1,0|2,0,0]=4 1489 B12R1.13 COC(CN)c1cccc(Cl)c1 Amb17605898 [0,1,0,0,1,0|2,0,0]=4 1490 B12R1.13 COC(CN)c1cccc(Cl)c1 Amb33550105 [0,1,0,0,1,0|2,0,0]=4 1491 B12R1.13 COC(CN)c1cccc(F)c1 Amb8010760 [0,1,0,0,1,0|2,0,0]=4 1492 B12R1.13 COC(CN)c1cccc(I)c1 Amb24343626 [0,1,0,0,1,0|2,0,0]=4 1493 B12R1.13 COC(OC)c1cc(Br)ccn1 Amb26482932 [0,1,0,0,1,0|1,0,0]=3 1494 B12R1.13 COC(OC)c1cc(O)ncn1 Amb25113867 [0,1,0,0,1,0|2,0,0]=4 1495 B12R1.13 COC(OC)c1cccc(Br)c1 Amb10601608 [0,1,0,0,1,0|0,0,0]=2 1496 B12R1.13 COC(OC)c1cccc(Br)n1 Amb25055255 [0,1,0,0,1,0|1,0,0]=3 1497 B12R1.13 COC(OC)c1cccc(I)c1 Amb26349336 [0,1,0,0,1,0|0,0,0]=2 1498 B12R1.13 COC(OC)c1cccc(N)c1 Amb10571314 [0,1,0,0,1,0|0,0,0]=2 1499 B12R1.13 COC(OC)c1cccc(S)c1 Amb28064248 [0,1,0,0,1,0|0,0,0]=2 1500 B12R1.13 COC(OC)c1ccnc(Br)c1 Amb25884562 [0,1,0,0,1,0|1,0,0]=3 1501 B12R1.13 COC(OC)c1ccnc(C)n1 Amb2726019 [0,1,0,0,1,0|2,0,0]=4 1502 B12R1.13 COC(OC)c1ccnc(N)c1 Amb2697836 [0,1,0,0,1,0|1,0,0]=3 1503 B12R1.13 COC(OC)c1ccnc(N)n1 Amb1087921 [0,1,0,0,1,0|2,0,0]=4 1504 B12R1.13 COC(OC)c1cncc(I)c1 Amb13889926 [0,1,0,0,1,0|1,0,0]=3 1505 B12R1.243 C#CC(OC)c1ccccc1O Amb28243801 [0,1,0,0,1,0|1,0,1]=4 1506 B12R1.243 CCC(NC)c1ccccc1Br Amb28119973 [0,1,0,0,1,0|2,0,0]=4 1507 B12R1.243 CCC(NC)c1ccccc1F Amb10840806 [0,1,0,0,1,0|2,0,0]=4 1508 B12R1.243 CC[C@@H](NC)c1ccccc1F Amb27184610 [0,1,0,0,1,0|2,0,0]=4 1509 B12R1.243 COC(C#N)c1ccccc1Br Amb27813901 [0,1,0,0,1,0|2,0,0]=4 1510 B12R1.243 COC(C#N)c1ccccc1C Amb25150131 [0,1,0,0,1,0|2,0,0]=4 1511 B12R1.243 COC(C#N)c1ccccc1Cl Amb20668091 [0,1,0,0,1,0|2,0,0]=4 1512 B12R1.243 COC(C=O)c1ccccc1Cl Amb27665890 [0,1,0,0,1,0|2,0,0]=4 1513 B12R1.243 COC(CBr)c1ccccc1Br Amb26373427 [0,1,0,0,1,0|2,0,0]=4 1514 B12R1.243 COC(CBr)c1ccccc1C Amb26925230 [0,1,0,0,1,0|2,0,0]=4 1515 B12R1.243 COC(CBr)c1ccccc1Cl Amb25707157 [0,1,0,0,1,0|2,0,0]=4 1516 B12R1.243 COC(CBr)c1ccccc1F Amb26970909 [0,1,0,0,1,0|2,0,0]=4 1517 B12R1.243 COC(CI)c1ccccc1Br Amb26374161 [0,1,0,0,1,0|2,0,0]=4 1518 B12R1.243 COC(CI)c1ccccc1C Amb26957197 [0,1,0,0,1,0|2,0,0]=4 1519 B12R1.243 COC(CI)c1ccccc1Cl Amb26490413 [0,1,0,0,1,0|2,0,0]=4 1520 B12R1.243 COC(CI)c1ccccc1F Amb26355207 [0,1,0,0,1,0|2,0,0]=4 1521 B12R1.243 COC(CN)c1ccccc1Br Amb18293119 [0,1,0,0,1,0|2,0,0]=4 1522 B12R1.243 COC(CN)c1ccccc1C Amb17605868 [0,1,0,0,1,0|2,0,0]=4 1523 B12R1.243 COC(CN)c1ccccc1Cl Amb17605860 [0,1,0,0,1,0|2,0,0]=4 1524 B12R1.243 COC(CN)c1ccccc1Cl Amb33549567 [0,1,0,0,1,0|2,0,0]=4 1525 B12R1.243 COC(CN)c1ccccc1F Amb8010759 [0,1,0,0,1,0|2,0,0]=4 1526 B12R1.243 COC(OC)c1ccccc1I Amb20242836 [0,1,0,0,1,0|0,0,0]=2 1527 B12R1.243 COC(OC)c1ccccc1N Amb26517350 [0,1,0,0,1,0|0,0,0]=2 1528 B12R1.243 COC(OC)c1cccnc1Br Amb25244161 [0,1,0,0,1,0|1,0,0]=3 1529 B12R1.243 COC(OC)c1cccnc1Cl Amb27261832 [0,1,0,0,1,0|1,0,0]=3 1530 B12R1.243 COC(OC)c1ncccc1O Amb27665864 [0,1,0,0,1,0|1,0,0]=3 1531 B12R1.243 COC(OC)c1nccnc1Cl Amb27649115 [0,1,0,0,1,0|2,0,0]=4 1532 B12R1.243 CSC(SC)c1ccccc1N Amb28118912 [0,1,0,0,1,0|0,2,0]=4 1533 B12R1.475 CCC(C)(CC)c1ccccc1 Amb25892335 [0,1,0,0,1,0|2,0,0]=4 1534 B12R1.475 CCC(N)(CC)c1ccccc1 Amb19957478 [0,1,0,0,1,0|2,0,0]=4 1535 B12R1.475 CCC(O)(CC)c1ccccc1 Amb4016957 [0,1,0,0,1,0|2,0,0]=4 1536 B12R1.475 CCP(=O)(OC)c1ccccc1 Amb8392598 [0,1,0,0,1,0|2,0,0]=4 1537 B12R1.475 COC(C)(CBr)c1ccccc1 Amb25741588 [0,1,0,0,1,0|2,0,0]=4 1538 B12R1.475 COC(C)(CI)c1ccccc1 Amb26374095 [0,1,0,0,1,0|2,0,0]=4 1539 B12R1.475 COC(C)(CN)c1ccccc1 Amb17605899 [0,1,0,0,1,0|2,0,0]=4 1540 B12R1.475 COC(C)(CS)c1ccccc1 Amb27266131 [0,1,0,0,1,0|2,0,0]=4 1541 B12R1.475 COC(C)(OC)c1ccccc1 Amb8395259 [0,1,0,0,1,0|0,0,0]=2 1542 B12R1.475 COC(C)(OC)c1ccccn1 Amb25861761 [0,1,0,0,1,0|1,0,0]=3 1543 B12R1.475 COC(C)(OC)c1cccnc1 Amb28130069 [0,1,0,0,1,0|1,0,0]=3 1544 B12R1.475 COC(C)(OC)c1ccncn1 Amb25172368 [0,1,0,0,1,0|2,0,0]=4 1545 B12R1.475 COC(O)(OC)c1ccccc1 Amb22749916 [0,1,0,0,1,0|0,0,0]=2 1546 B12R1.475 COP(=O)(OC)c1ccccc1 Amb8395264 [0,1,0,0,1,0|1,0,0]=3 1547 B12R1.475 COP(=S)(OC)c1ccccc1 Amb8392125 [0,1,0,0,1,0|1,0,0]=3 1548 B12R1.475 CO[C@@](C)(C=O)c1ccccc1 Amb27636953 [0,1,0,0,1,0|2,0,0]=4 1549 B12R1.475 CO[C@](C)(C=O)c1ccccc1 Amb28240435 [0,1,0,0,1,0|2,0,0]=4 1550 B12R1.475 CO[Si](C)(OC)c1ccccc1 Amb8395900 [0,1,0,0,1,0|0,1,0]=3 1551 B12R1.478 CCC(c1ccccc1)C(C)Br Amb28344759 [0,1,0,0,1,0|2,0,0]=4 1552 B12R1.478 CCC(c1ccccc1)C(C)Cl Amb27650668 [0,1,0,0,1,0|2,0,0]=4 1553 B12R1.478 CCC(c1ccccc1)C(C)N Amb25667182 [0,1,0,0,1,0|2,0,0]=4 1554 B12R1.478 CCC(c1ccccc1)N(C)C Amb26647635 [0,1,0,0,1,0|2,0,0]=4 1555 B12R1.478 CCC(c1ccccc1)S(C)=O Amb28138232 [0,1,0,0,1,0|1,1,0]=4 1556 B12R1.478 CCC(c1ccccc1)[C@@H](C)N Amb33731280 [0,1,0,0,1,0|2,0,0]=4 1557 B12R1.478 CCC(c1ccccc1)[C@H](C)N Amb33729230 [0,1,0,0,1,0|2,0,0]=4 1558 B12R1.478 CC[C@H](C(C)=O)c1ccccc1 Amb28122453 [0,1,0,0,1,0|2,0,0]=4 1559 B12R1.478 CNC(C(C)=O)c1ccccc1 Amb28048792 [0,1,0,0,1,0|2,0,0]=4 1560 B12R1.478 CNC(c1ccccc1)C(C)C Amb9247729 [0,1,0,0,1,0|2,0,0]=4 1561 B12R1.478 CN[C@@H](c1ccccc1)[C@@H](C)O Amb27643322 [0,1,0,0,1,0|2,0,0]=4 1562 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)N Amb27964135 [0,1,0,0,1,0|2,0,0]=4 1563 B12R1.478 COC(=C(C)C)c1ccccc1 Amb28369203 [0,1,0,0,1,0|1,0,1]=4 1564 B12R1.478 COC(C(=O)Cl)c1ccccc1 Amb27178278 [0,1,0,0,1,0|2,0,0]=4 1565 B12R1.478 COC(C(=O)O)c1ccccc1 Amb9729801 [0,1,0,0,1,0|2,0,0]=4 1566 B12R1.478 COC(C(=O)[O-])c1ccccc1 Amb23440840 [0,1,0,0,1,0|2,0,0]=4 1567 B12R1.478 COC(C(=O)[O-])c1ccccc1 Amb4005057 [0,1,0,0,1,0|2,0,0]=4 1568 B12R1.478 COC(C(C)=O)c1ccccc1 Amb33552276 [0,1,0,0,1,0|1,0,0]=3 1569 B12R1.478 COC(C(N)=S)c1ccccc1 Amb27765249 [0,1,0,0,1,0|2,0,0]=4 1570 B12R1.478 COC(c1ccccc1)[C@@H](C)N Amb27169809 [0,1,0,0,1,0|1,0,0]=3 1571 B12R1.478 COC(c1ccncc1)C(C)N Amb18980590 [0,1,0,0,1,0|2,0,0]=4 1572 B12R1.478 CO[C@@H](C(=O)O)c1ccccc1 Amb3940109 [0,1,0,0,1,0|2,0,0]=4 1573 B12R1.478 CO[C@@H](C(C)=O)c1ccccc1 Amb27749805 [0,1,0,0,1,0|1,0,0]=3 1574 B12R1.478 CO[C@@H](c1ccccc1)[C@@H](C)N Amb27482950 [0,1,0,0,1,0|1,0,0]=3 1575 B12R1.478 CO[C@@H](c1ccccc1)[C@@H](C)O Amb27770924 [0,1,0,0,1,0|1,0,0]=3 1576 B12R1.478 CO[C@H](C(=O)Cl)c1ccccc1 Amb27954592 [0,1,0,0,1,0|2,0,0]=4 1577 B12R1.478 CO[C@H](C(=O)O)c1ccccc1 Amb3939862 [0,1,0,0,1,0|2,0,0]=4 1578 B12R1.478 CO[C@H](c1ccccc1)[C@@H](C)Cl Amb27645483 [0,1,0,0,1,0|1,0,0]=3 1579 B12R1.478 CO[C@H](c1ccccc1)[C@@H](C)N Amb28074058 [0,1,0,0,1,0|1,0,0]=3 1580 B12R1.74 COC(OC)C(=O)c1cccs1 Amb2611616 [0,1,0,0,1,0|1,0,1]=4 1581 B12R1.117 COC(Cc1cnc(C)s1)OC Amb35752085 [0,1,0,0,1,0|2,0,0]=4 1582 B14R1.58 CCC(CC)CC(N)c1ccccc1 Amb19073698 [0,1,0,0,0,1|2,0,0]=4 1583 B14R1.58 CCC(CC)NC(C)c1ccccc1 Amb6684843 [0,1,0,0,0,1|2,0,0]=4 1584 B14R1.58 CCC(CC)[NH2+][C@@H](C)c1ccccc1 Amb22049557 [0,1,0,0,0,1|2,0,0]=4 1585 B14R1.58 COC(CC(=O)c1ccccc1)OC Amb17595092 [0,1,0,0,0,1|0,0,0]=2 1586 B14R1.58 COC(CC(=O)c1ccccn1)OC Amb33355517 [0,1,0,0,0,1|1,0,0]=3 1587 B14R1.58 COC(CC(=O)c1cccnc1)OC Amb33355516 [0,1,0,0,0,1|1,0,0]=3 1588 B14R1.58 COC(CC(=O)c1ccncc1)OC Amb33355515 [0,1,0,0,0,1|1,0,0]=3 1589 B14R1.58 COC(CC(=O)c1ccncn1)OC Amb33355638 [0,1,0,0,0,1|2,0,0]=4 1590 B14R1.58 COC(CC(=O)c1cnccn1)OC Amb33355518 [0,1,0,0,0,1|2,0,0]=4 1591 B14R1.387 CCC(CC)CNc1ccccc1F Amb6631115 [0,1,0,0,0,1|2,0,0]=4 1592 B14R1.387 CCC(CC)NCc1ccccc1Br Amb6686446 [0,1,0,0,0,1|2,0,0]=4 1593 B14R1.387 CCC(CC)NCc1ccccc1C Amb6686314 [0,1,0,0,0,1|2,0,0]=4 1594 B14R1.387 CCC(CC)NCc1ccccc1Cl Amb6691762 [0,1,0,0,0,1|2,0,0]=4 1595 B14R1.387 CCC(CC)NCc1ccccc1F Amb22587999 [0,1,0,0,0,1|2,0,0]=4 1596 B14R1.387 CCC(CC)NCc1ccccc1F Amb6697961 [0,1,0,0,0,1|2,0,0]=4 1597 B14R1.387 CCC(CC)NCc1ccccc1O Amb6686348 [0,1,0,0,0,1|2,0,0]=4 1598 B14R1.387 COC(CNc1ncccc1N)OC Amb17067328 [0,1,0,0,0,1|1,0,0]=3 1599 B14R1.387 COC(CNc1nccnc1Cl)OC Amb22261515 [0,1,0,0,0,1|2,0,0]=4 1600 B14R1.387 COC(COc1cccnc1N)OC Amb24085147 [0,1,0,0,0,1|1,0,0]=3 1601 B14R1.387 COC(CSc1ccccc1Br)OC Amb22263158 [0,1,0,0,0,1|0,0,0]=2 1602 B14R1.387 COC(CSc1ccccc1C)OC Amb32683168 [0,1,0,0,0,1|0,0,0]=2 1603 B14R1.387 COC(CSc1ccccc1Cl)OC Amb32683149 [0,1,0,0,0,1|0,0,0]=2 1604 B14R1.387 COC(CSc1ccccc1F)OC Amb32683164 [0,1,0,0,0,1|0,0,0]=2 1605 B14R1.529 CCC(CC)CNc1ccc(Cl)cc1 Amb6651618 [0,1,0,0,0,1|2,0,0]=4 1606 B14R1.529 CCC(CC)NCc1ccc(Br)cc1 Amb6686301 [0,1,0,0,0,1|2,0,0]=4 1607 B14R1.529 CCC(CC)NCc1ccc(C)cc1 Amb6699969 [0,1,0,0,0,1|2,0,0]=4 1608 B14R1.529 CCC(CC)NCc1ccc(Cl)cc1 Amb6686302 [0,1,0,0,0,1|2,0,0]=4 1609 B14R1.529 CCC(CC)NCc1ccc(F)cc1 Amb6697140 [0,1,0,0,0,1|2,0,0]=4 1610 B14R1.529 COC(CNc1ccc(Br)cn1)OC Amb2447598 [0,1,0,0,0,1|1,0,0]=3 1611 B14R1.529 COC(CNc1ccc(Cl)cc1)OC Amb20668785 [0,1,0,0,0,1|0,0,0]=2 1612 B14R1.529 COC(CNc1ccc(Cl)nn1)OC Amb9117776 [0,1,0,0,0,1|2,0,0]=4 1613 B14R1.529 COC(CNc1ccc(N)cn1)OC Amb17042268 [0,1,0,0,0,1|1,0,0]=3 1614 B14R1.529 COC(CNc1ccc(N)nc1)OC Amb17042226 [0,1,0,0,0,1|1,0,0]=3 1615 B14R1.529 COC(CNc1ncc(Br)cn1)OC Amb2447574 [0,1,0,0,0,1|2,0,0]=4 1616 B14R1.529 COC(COc1ccc(Br)cc1)OC Amb17739830 [0,1,0,0,0,1|0,0,0]=2 1617 B14R1.529 COC(CSc1ccc(Br)cc1)OC Amb19515786 [0,1,0,0,0,1|0,0,0]=2 1618 B14R1.529 COC(CSc1ccc(C)cc1)OC Amb32683169 [0,1,0,0,0,1|0,0,0]=2 1619 B14R1.529 COC(CSc1ccc(Cl)cc1)OC Amb32683155 [0,1,0,0,0,1|0,0,0]=2 1620 B14R1.529 COC(CSc1ccc(F)cc1)OC Amb32683166 [0,1,0,0,0,1|0,0,0]=2 1621 B14R1.532 CCC(OC)C(=O)Nc1ccccc1 Amb25766454 [0,1,0,0,0,1|1,0,1]=4 1622 B14R1.532 COC(OC)C(=O)Nc1ccccn1 Amb35682118 [0,1,0,0,0,1|1,0,1]=4 1623 B14R1.532 COC(OC)C(=O)Nc1cccnc1 Amb35685506 [0,1,0,0,0,1|1,0,1]=4 1624 B14R1.532 COC(OC)C(=O)Nc1ccncc1 Amb35685507 [0,1,0,0,0,1|1,0,1]=4 1625 B14R1.532 COC(OC)C(C)Sc1ccccc1 Amb32682540 [0,1,0,0,0,1|0,0,0]=2 1626 B14R1.547 CCC(CC)NCc1cccc(C)c1 Amb6686316 [0,1,0,0,0,1|2,0,0]=4 1627 B14R1.547 CCC(CC)NCc1cccc(Cl)c1 Amb6686430 [0,1,0,0,0,1|2,0,0]=4 1628 B14R1.547 CCC(CC)NCc1cccc(F)c1 Amb6686312 [0,1,0,0,0,1|2,0,0]=4 1629 B14R1.547 CCC(CC)NCc1cccc(O)c1 Amb6686433 [0,1,0,0,0,1|2,0,0]=4 1630 B14R1.547 COC(CNc1cc(Cl)ncn1)OC Amb19889639 [0,1,0,0,0,1|2,0,0]=4 1631 B14R1.547 COC(CNc1cccc(Cl)c1)OC Amb22059302 [0,1,0,0,0,1|0,0,0]=2 1632 B14R1.547 COC(CNc1ccnc(Cl)n1)OC Amb32418392 [0,1,0,0,0,1|2,0,0]=4 1633 B14R1.547 COC(COc1cccc(Br)c1)OC Amb16191916 [0,1,0,0,0,1|0,0,0]=2 1634 B14R1.547 COC(CSc1cccc(Br)c1)OC Amb22263152 [0,1,0,0,0,1|0,0,0]=2 1635 B14R1.547 COC(CSc1cccc(C)c1)OC Amb32683170 [0,1,0,0,0,1|0,0,0]=2 1636 B14R1.547 COC(CSc1cccc(Cl)c1)OC Amb32683153 [0,1,0,0,0,1|0,0,0]=2 1637 B14R1.547 COC(CSc1cccc(F)c1)OC Amb32683167 [0,1,0,0,0,1|0,0,0]=2 1638 B14R1.547 COC(CSc1cncc(Br)c1)OC Amb33276139 [0,1,0,0,0,1|1,0,0]=3 1639 B14R1.979 C#CC(COC)NCc1ccccc1 Amb28256619 [0,1,0,0,0,1|1,0,1]=4 1640 B14R1.979 CCC(C#Cc1ccccc1)OCCl Amb27813156 [0,1,0,0,0,1|1,0,1]=4 1641 B14R1.979 CCC(CCCl)NCc1ccccc1 Amb28130883 [0,1,0,0,0,1|2,0,0]=4 1642 B14R1.979 CCC(CCO)OCc1ccccc1 Amb27432282 [0,1,0,0,0,1|2,0,0]=4 1643 B14R1.979 CCC(CNC)OCc1ccccc1 Amb19062005 [0,1,0,0,0,1|2,0,0]=4 1644 B14R1.979 CCC(COC)NCc1ccccc1 Amb27483835 [0,1,0,0,0,1|1,0,0]=3 1645 B14R1.979 CCC(COC)NCc1ccncc1 Amb33496570 [0,1,0,0,0,1|2,0,0]=4 1646 B14R1.979 CCOC(CCl)OCc1ccccc1 Amb27654173 [0,1,0,0,0,1|2,0,0]=4 1647 B14R1.979 CC[C@H](CCO)OCc1ccccc1 Amb27197180 [0,1,0,0,0,1|2,0,0]=4 1648 B14R1.979 COCC(C#N)NCc1ccccc1 Amb28456274 [0,1,0,0,0,1|2,0,0]=4 1649 B14R1.979 COCC(C=O)OCc1ccccc1 Amb28144069 [0,1,0,0,0,1|2,0,0]=4 1650 B14R1.979 COCC(CCl)NCc1ccccc1 Amb27824042 [0,1,0,0,0,1|2,0,0]=4 1651 B14R1.979 COCC(CF)NCc1ccccc1 Amb27399640 [0,1,0,0,0,1|2,0,0]=4 1652 B14R1.979 COCC(CO)NCc1ccccc1 Amb28424337 [0,1,0,0,0,1|2,0,0]=4 1653 B14R1.979 COC[C@@H](CN)NCc1ccccc1 Amb28137777 [0,1,0,0,0,1|2,0,0]=4 1654 B14R1.979 COC[C@@H](CO)OCc1ccccc1 Amb27164421 [0,1,0,0,0,1|2,0,0]=4 1655 B14R1.2928 COP(=O)(OC)OCc1ccccc1 Amb25194785 [0,1,0,0,0,1|1,0,0]=3 1656 B14R1.4194 CCC(NCc1ccccc1)C(C)=O Amb28135303 [0,1,0,0,0,1|2,0,0]=4 1657 B14R1.4194 CCC(NCc1ccccc1)C(C)O Amb27983730 [0,1,0,0,0,1|2,0,0]=4 1658 B14R1.4194 CCC(SCc1ccccc1)C(C)=O Amb32682578 [0,1,0,0,0,1|2,0,0]=4 1659 B14R1.4194 CC[C@@H](OCc1ccccc1)[C@H](C)N Amb27749463 [0,1,0,0,0,1|2,0,0]=4 1660 B14R1.4194 CO[C@@H](C#Cc1ccccc1)[C@@H](C)O Amb27970963 [0,1,0,0,0,1|1,0,1]=4 1661 B14R1.4194 CO[C@@H](C#Cc1ccccc1)[C@H](C)O Amb28188218 [0,1,0,0,0,1|1,0,1]=4 1662 B14R1.72 CCNC(CC)Cc1ccc(C)cc1 Amb19050316 [0,2,0,0,0,0|2,0,0]=4 1663 B14R1.72 CNC(CSC)Cc1ccc(F)cc1 Amb33465367 [0,2,0,0,0,0|1,1,0]=4 1664 B14R1.72 CNC(CSC)Cc1ccc(F)cc1 Amb33465368 [0,2,0,0,0,0|1,1,0]=4 1665 B14R1.467 CCC(Cc1ccccc1)NCCO Amb33363069 [0,2,0,0,0,0|2,0,0]=4 1666 B14R1.478 CCNC(CC)C(O)c1ccccc1 Amb18093006 [0,2,0,0,0,0|2,0,0]=4 1667 B14R1.494 CCCC(Cc1ccccc1)NCC Amb19050333 [0,2,0,0,0,0|2,0,0]=4 1668 B14R1.494 CCNC(COC)Cc1ccccc1 Amb19051272 [0,2,0,0,0,0|1,0,0]=3 1669 B14R1.494 CCOC(Cc1ccccc1)OCC Amb10880678 [0,2,0,0,0,0|0,0,0]=2 1670 B14R1.494 CCOC(Cc1cccnc1)OCC Amb32648033 [0,2,0,0,0,0|1,0,0]=3 1671 B14R1.494 CCOC(OCC)[SiH2]c1cccnc1 Amb24085658 [0,2,0,0,0,0|1,1,0]=4 1672 B14R1.494 COCN(COC)Cc1ccccc1 Amb25308465 [0,2,0,0,0,0|1,0,0]=3 1673 B14R1.549 COC(Cc1ccccc1)CS(=O)[O-] Amb32755212 [0,2,0,0,0,0|1,1,0]=4 1674 B14R1.1031 CCC(Cc1ccccc1)C(C)CN Amb33735114 [0,2,0,0,0,0|2,0,0]=4 1675 B14R1.1031 CCC(Cc1ccccc1)C(C)CO Amb33749675 [0,2,0,0,0,0|2,0,0]=4 1676 B14R1.1031 CCC(Cc1ccccc1)[C@@H](C)CN Amb33729623 [0,2,0,0,0,0|2,0,0]=4 1677 B14R1.1031 CCC(Cc1ccccc1)[C@@H](C)CO Amb33747164 [0,2,0,0,0,0|2,0,0]=4 1678 B14R1.1031 CCC(Cc1ccccc1)[C@H](C)CN Amb33727648 [0,2,0,0,0,0|2,0,0]=4 1679 B14R1.1031 CCC(Cc1ccccc1)[C@H](C)CO Amb33744413 [0,2,0,0,0,0|2,0,0]=4 1680 B14R1.1031 CCC(Nc1ccccc1)C(=O)OC Amb19050998 [0,2,0,0,0,0|2,0,0]=4 1681 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC Amb19079328 [0,2,0,0,0,0|1,0,0]=3 1682 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC Amb30633473 [0,2,0,0,0,0|1,0,0]=3 1683 B14R1.1031 CN[C@@H](Cc1ccccc1)C(=O)OC Amb16183825 [0,2,0,0,0,0|1,0,0]=3 1684 B14R1.1031 CN[C@@H](Cc1ccccc1)C(=O)OC Amb22745351 [0,2,0,0,0,0|1,0,0]=3 1685 B14R1.1031 CN[C@H](Cc1ccccc1)C(=O)OC Amb33483084 [0,2,0,0,0,0|1,0,0]=3 1686 B14R1.1031 CN[C@H](Cc1ccccc1)C(=O)OC Amb33483812 [0,2,0,0,0,0|1,0,0]=3 1687 B14R1.1031 COC(=O)C(C#N)Cc1ccccc1 Amb17336069 [0,2,0,0,0,0|2,0,0]=4 1688 B14R1.1031 COC(=O)C(CN)Cc1ccccc1 Amb2694062 [0,2,0,0,0,0|2,0,0]=4 1689 B14R1.1031 COC(=O)C(CN)Cc1ccccc1 Amb7800908 [0,2,0,0,0,0|2,0,0]=4 1690 B14R1.1031 COC(=O)C(CO)Cc1ccccc1 Amb10608962 [0,2,0,0,0,0|2,0,0]=4 1691 B14R1.1031 COC(=O)C(Cc1ccccc1)ON Amb33339253 [0,2,0,0,0,0|1,0,0]=3 1692 B14R1.1031 COC(=O)[C@@H](CN)Cc1ccccc1 Amb33329063 [0,2,0,0,0,0|2,0,0]=4 1693 B14R1.1031 COC(=O)[C@@H](CN)Cc1ccccc1 Amb33329082 [0,2,0,0,0,0|2,0,0]=4 1694 B14R1.1031 COC(=O)[C@H](CN)Cc1ccccc1 Amb33328927 [0,2,0,0,0,0|2,0,0]=4 1695 B14R1.1031 COC(=O)[C@H](CN)Cc1ccccc1 Amb33457754 [0,2,0,0,0,0|2,0,0]=4 1696 B14R1.88 CCC(CC)C(N)c1ccc(Br)cc1 Amb6279188 [0,2,0,0,0,0|2,0,0]=4 1697 B14R1.88 CCC(CC)C(N)c1ccc(C)cc1 Amb6663564 [0,2,0,0,0,0|2,0,0]=4 1698 B14R1.88 CCC(CC)C(N)c1ccc(Cl)cc1 Amb6663499 [0,2,0,0,0,0|2,0,0]=4 1699 B14R1.88 CCC(CC)C(N)c1ccc(F)cc1 Amb6663480 [0,2,0,0,0,0|2,0,0]=4 1700 B14R1.88 CCC(NC)C(O)c1ccc(Br)cc1 Amb18604998 [0,2,0,0,0,0|2,0,0]=4 1701 B14R1.88 CCC(NC)C(O)c1ccc(Cl)cc1 Amb18605051 [0,2,0,0,0,0|2,0,0]=4 1702 B14R1.88 CCC(NC)C(O)c1ccc(F)cc1 Amb18605161 [0,2,0,0,0,0|2,0,0]=4 1703 B14R1.88 COC(OC)C(C)c1ccc(C)cc1 Amb24066881 [0,2,0,0,0,0|0,0,0]=2 1704 B14R1.391 COC(OC)C(C#N)c1ccccc1 Amb32674849 [0,2,0,0,0,0|0,0,0]=2 1705 B14R1.2883 C#CC(C)(OC)C(O)c1ccccc1 Amb27775428 [0,2,0,0,0,0|1,0,1]=4 1706 B14R1.2883 C#CC(C)(OC)[C@H](O)c1ccccc1 Amb27457722 [0,2,0,0,0,0|1,0,1]=4 1707 B14R1.2883 COC(C)(CN)C(C)c1ccccc1 Amb33081898 [0,2,0,0,0,0|2,0,0]=4 1708 B14R1.2883 COP(=O)(OC)C(=O)c1ccccc1 Amb17938171 [0,2,0,0,0,0|1,0,1]=4 1709 B14R1.2883 COP(=O)(OC)[13C](=O)c1ccccc1 Amb17843742 [0,2,0,0,0,0|1,0,1]=4 1710 B14R1.6 COc1ccc(CC(OC)OC)cc1 Amb17689195 [0,2,0,0,0,0|0,0,0]=2 1711 B14R1.536 CCC(Cc1ccc(Br)cc1)C(C)=O Amb17264257 [0,2,0,0,0,0|2,0,0]=4 1712 B14R1.536 CCC(Cc1ccc(C)cc1)C(C)=O Amb17234960 [0,2,0,0,0,0|2,0,0]=4 1713 B14R1.536 CCC(Cc1ccc(Cl)cc1)C(C)=O Amb17240773 [0,2,0,0,0,0|2,0,0]=4 1714 B14R1.536 CCC(Cc1ccc(F)cc1)C(C)=O Amb17235957 [0,2,0,0,0,0|2,0,0]=4 1715 B14R1.536 CNC(Cc1ccc(Br)cc1)C(C)C Amb18229987 [0,2,0,0,0,0|2,0,0]=4 1716 B14R1.536 CNC(Cc1ccc(F)cc1)C(C)C Amb19052632 [0,2,0,0,0,0|2,0,0]=4 1717 B14R1.536 COC(Cc1ccc(Br)cc1)C(=O)O Amb23321116 [0,2,0,0,0,0|2,0,0]=4 1718 B14R1.536 COC(Cc1ccc(C)cc1)C(=O)O Amb23320726 [0,2,0,0,0,0|2,0,0]=4 1719 B14R1.536 COC(Cc1ccc(Cl)cc1)C(=O)O Amb16233253 [0,2,0,0,0,0|2,0,0]=4 1720 B14R1.536 COC(Cc1ccc(F)cc1)C(=O)O Amb23320970 [0,2,0,0,0,0|2,0,0]=4 1721 B14R1.536 COC(Cc1ccc(O)cc1)C(=O)O Amb32953565 [0,2,0,0,0,0|2,0,0]=4 1722 B14R1.3634 CCC(N)(CC)Cc1ccc(C)cc1 Amb5737597 [0,2,0,0,0,0|2,0,0]=4 1723 B14R1.3634 CCC(N)(CC)Cc1ccc(Cl)cc1 Amb5737606 [0,2,0,0,0,0|2,0,0]=4 1724 B14R1.3634 CCC(N)(CC)Cc1ccc(F)cc1 Amb5737599 [0,2,0,0,0,0|2,0,0]=4 1725 B14R1.3634 COC(C)(C#N)Cc1ccc(Cl)cc1 Amb27871880 [0,2,0,0,0,0|2,0,0]=4 1726 B14R1.3634 COP(=O)(Cc1ccc(F)cc1)OC Amb16187096 [0,2,0,0,0,0|1,0,0]=3 1727 B14R1.3634 COP(=S)(Nc1ccc(Cl)cc1)OC Amb28187150 [0,2,0,0,0,0|2,0,0]=4 1728 B14R1.4398 CCC(CN1C=CC(=O)C(N)=C1)OC Amb32705710 [0,2,0,0,0,0|2,0,0]=4 1729 B14R1.4398 CCC(Cc1ccc(Cl)c(C)c1)NC Amb18049099 [0,2,0,0,0,0|2,0,0]=4 1730 B14R1.4398 CCC(Cc1ccc(F)c(C)c1)NC Amb18049112 [0,2,0,0,0,0|2,0,0]=4 1731 B14R1.4398 CCC(Cc1ccc(F)c(Cl)c1)NC Amb18225438 [0,2,0,0,0,0|2,0,0]=4 1732 B14R1.4398 CCC(Cc1ccc(F)c(F)c1)NC Amb18049127 [0,2,0,0,0,0|2,0,0]=4 1733 B14R1.6932 COC(CN1C=CC(=O)NC1=O)OC Amb32434939 [0,2,0,0,0,0|2,0,0]=4 1734 B14R1.146 CCC(CN1C=CC=C(N)C1=O)OC Amb32705709 [0,2,0,0,0,0|2,0,0]=4 1735 B14R1.542 CCC(Cc1cccc(Br)c1)C(C)=O Amb17264255 [0,2,0,0,0,0|2,0,0]=4 1736 B14R1.542 CCC(Cc1cccc(C)c1)C(C)=O Amb17234958 [0,2,0,0,0,0|2,0,0]=4 1737 B14R1.542 CCC(Cc1cccc(Cl)c1)C(C)=O Amb17240771 [0,2,0,0,0,0|2,0,0]=4 1738 B14R1.542 COC(Cc1cccc(Br)c1)C(=O)O Amb23321086 [0,2,0,0,0,0|2,0,0]=4 1739 B14R1.542 COC(Cc1cccc(C)c1)C(=O)O Amb23320709 [0,2,0,0,0,0|2,0,0]=4 1740 B14R1.542 COC(Cc1cccc(Cl)c1)C(=O)O Amb23321027 [0,2,0,0,0,0|2,0,0]=4 1741 B14R1.542 COC(Cc1cccc(F)c1)C(=O)O Amb33314614 [0,2,0,0,0,0|2,0,0]=4 1742 B14R1.542 COC(Cc1cccc(O)c1)C(=O)O Amb33310886 [0,2,0,0,0,0|2,0,0]=4 1743 B14R1.3635 CCC(N)(CC)Cc1cccc(C)c1 Amb5737596 [0,2,0,0,0,0|2,0,0]=4 1744 B14R1.3635 CCC(N)(CC)Cc1cccc(Cl)c1 Amb5737605 [0,2,0,0,0,0|2,0,0]=4 1745 B14R1.3635 COC(C)(C#N)Cc1cccc(F)c1 Amb27816993 [0,2,0,0,0,0|2,0,0]=4 1746 B14R1.4390 CCC(CN1C=C(N)C=CC1=O)OC Amb32705712 [0,2,0,0,0,0|2,0,0]=4 1747 B14R1.4390 CCC(Cc1cc(Cl)ccc1F)NC Amb18225457 [0,2,0,0,0,0|2,0,0]=4 1748 B14R1.4390 COC(Cc1cc(O)ccc1N)OC Amb2699218 [0,2,0,0,0,0|0,0,0]=2 1749 B14R1.550 CCC(Cc1ccccc1C)C(C)=O Amb17234956 [0,2,0,0,0,0|2,0,0]=4 1750 B14R1.550 CCC(Cc1ccccc1Cl)C(C)=O Amb17240769 [0,2,0,0,0,0|2,0,0]=4 1751 B14R1.550 CCC(Cc1ccccc1F)C(C)=O Amb17235955 [0,2,0,0,0,0|2,0,0]=4 1752 B14R1.550 COC(Cc1ccccc1Br)C(=O)O Amb33389531 [0,2,0,0,0,0|2,0,0]=4 1753 B14R1.550 COC(Cc1ccccc1C)C(=O)O Amb23320703 [0,2,0,0,0,0|2,0,0]=4 1754 B14R1.550 COC(Cc1ccccc1Cl)C(=O)O Amb23320999 [0,2,0,0,0,0|2,0,0]=4 1755 B14R1.550 COC(Cc1ccccc1F)C(=O)O Amb23320945 [0,2,0,0,0,0|2,0,0]=4 1756 B14R1.550 COC(Cc1ccccc1O)C(=O)O Amb33359491 [0,2,0,0,0,0|2,0,0]=4 1757 B14R1.2947 CCC(N)(CC)Cc1ccccc1C Amb5737595 [0,2,0,0,0,0|2,0,0]=4 1758 B14R1.2947 CCC(N)(CC)Cc1ccccc1Cl Amb5737604 [0,2,0,0,0,0|2,0,0]=4 1759 B14R1.2947 CCC(N)(CC)Cc1ccccc1F Amb5737598 [0,2,0,0,0,0|2,0,0]=4 1760 B14R1.3136 COC(Cc1ncccc1C#N)OC Amb22263912 [0,2,0,0,0,0|1,0,0]=3 1761 B14R1.4513 CC(=O)C(Cc1ccccc1)C(C)=O Amb17778962 [0,2,0,0,0,0|2,0,0]=4 1762 B14R1.6936 CCC(C#N)(CC)Cc1ccccc1 Amb17333918 [0,2,0,0,0,0|2,0,0]=4 1763 B14R1.6936 CCC(CC)(CN)Cc1ccccc1 Amb17333879 [0,2,0,0,0,0|2,0,0]=4 1764 B14R1.6936 COC(Cc1ccccc1)(OC)OC Amb17673179 [0,2,0,0,0,0|0,0,0]=2 1765 B12R1.1287 COC(OC)C1C=CC=CC=C1 Amb27193082 [0,0,1,1,0,0|0,0,0]=2 1766 B12R2.11 BrC1CC1Cc2ccccc2 Amb27176533 [1,0,0,1,0,0|2,0,0]=4 1767 B12R2.11 Br[C@H]1C[C@@H]1Cc2ccccc2 Amb28287700 [1,0,0,1,0,0|2,0,0]=4 1768 B12R2.11 CC1CC1Nc2ccccc2 Amb24743217 [1,0,0,1,0,0|2,0,0]=4 1769 B12R2.11 C[C@@H]1C[C@@H]1Nc2ccccc2 Amb28059383 [1,0,0,1,0,0|2,0,0]=4 1770 B12R2.11 Cl[C@@H]1C[C@@H]1Cc2ccccc2 Amb27640652 [1,0,0,1,0,0|2,0,0]=4 1771 B12R2.11 NC1CC1Cc2ccccc2 Amb18960797 [1,0,0,1,0,0|2,0,0]=4 1772 B12R2.11 NC1CC1Cc2ccccc2 Amb19375025 [1,0,0,1,0,0|2,0,0]=4 1773 B12R2.11 N[C@@H]1C[C@H]1Cc2ccccc2 Amb32953150 [1,0,0,1,0,0|2,0,0]=4 1774 B12R2.18 BN1c2ccccc2CC1C Amb27445828 [1,0,0,1,0,0|2,0,0]=4 1775 B12R2.18 CC1=C(C)c2ccccc2C1 Amb21948330 [1,0,0,1,0,0|1,0,1]=4 1776 B12R2.18 CC1Cc2ccccc2C1=O Amb2724364 [1,0,0,1,0,0|2,0,0]=4 1777 B12R2.18 CC1Cc2ccccc2C1Cl Amb18183547 [1,0,0,1,0,0|2,0,0]=4 1778 B12R2.18 CC1Cc2ccccc2C1N Amb17232033 [1,0,0,1,0,0|2,0,0]=4 1779 B12R2.18 CC1Cc2ccccc2C1N Amb19373701 [1,0,0,1,0,0|2,0,0]=4 1780 B12R2.18 CC1Cc2ccccc2C1O Amb27228534 [1,0,0,1,0,0|2,0,0]=4 1781 B12R2.18 CC1Cc2ccccc2N1C Amb5718020 [1,0,0,1,0,0|1,0,0]=3 1782 B12R2.18 CC1Cc2ccccc2N1N Amb6298689 [1,0,0,1,0,0|2,0,0]=4 1783 B12R2.18 CC1Cc2ccccc2N1N Amb8629624 [1,0,0,1,0,0|2,0,0]=4 1784 B12R2.18 CC1Nc2ccccc2C1C Amb17593676 [1,0,0,1,0,0|2,0,0]=4 1785 B12R2.18 CC1Nc2ccccc2[C@H]1C Amb28341472 [1,0,0,1,0,0|2,0,0]=4 1786 B12R2.18 CC1c2ccccc2CC1Br Amb29887209 [1,0,0,1,0,0|2,0,0]=4 1787 B12R2.18 CC1c2ccccc2CC1Cl Amb29887229 [1,0,0,1,0,0|2,0,0]=4 1788 B12R2.18 CC1c2ccccc2CC1N Amb18124847 [1,0,0,1,0,0|2,0,0]=4 1789 B12R2.18 CC1c2ccccc2CC1N Amb32666792 [1,0,0,1,0,0|2,0,0]=4 1790 B12R2.18 CC1c2ccccc2CC1O Amb20622729 [1,0,0,1,0,0|1,0,0]=3 1791 B12R2.18 CC1c2ccccc2CC1S Amb30007058 [1,0,0,1,0,0|1,1,0]=4 1792 B12R2.18 CC1c2ccccc2CN1O Amb28399442 [1,0,0,1,0,0|2,0,0]=4 1793 B12R2.18 C[C@@H]1Cc2ccccc2[C@@H]1O Amb27663152 [1,0,0,1,0,0|2,0,0]=4 1794 B12R2.18 C[C@@H]1Cc2ccccc2[C@H]1N Amb27440506 [1,0,0,1,0,0|2,0,0]=4 1795 B12R2.18 C[C@@H]1Nc2ccccc2[C@H]1C Amb27205062 [1,0,0,1,0,0|2,0,0]=4 1796 B12R2.18 C[C@@H]1c2ccccc2C[C@H]1N Amb27817400 [1,0,0,1,0,0|2,0,0]=4 1797 B12R2.18 C[C@H]1Cc2ccccc2[C@@H]1N Amb27850448 [1,0,0,1,0,0|2,0,0]=4 1798 B12R2.18 C[C@H]1c2ccccc2C[C@H]1N Amb28723654 [1,0,0,1,0,0|2,0,0]=4 1799 B12R2.18 C[C@H]1c2ccccc2C[C@H]1N Amb32666899 [1,0,0,1,0,0|2,0,0]=4 1800 B12R2.18 C[C@H]1c2cnccc2C[C@H]1O Amb23604478 [1,0,0,1,0,0|2,0,0]=4 1801 B12R2.18 NC1c2ccccc2CC1O Amb9781652 [1,0,0,1,0,0|2,0,0]=4 1802 B12R2.18 N[C@@H]1c2ccccc2C[C@@H]1O Amb2720522 [1,0,0,1,0,0|2,0,0]=4 1803 B12R2.18 N[C@@H]1c2ccccc2C[C@H]1O Amb10842210 [1,0,0,1,0,0|2,0,0]=4 1804 B12R2.18 N[C@@H]1c2ccccc2C[C@H]1O Amb32665023 [1,0,0,1,0,0|2,0,0]=4 1805 B12R2.18 N[C@H]1c2ccccc2C[C@@H]1O Amb10842191 [1,0,0,1,0,0|2,0,0]=4 1806 B12R2.18 N[C@H]1c2ccccc2C[C@@H]1O Amb32665024 [1,0,0,1,0,0|2,0,0]=4 1807 B12R2.18 N[C@H]1c2ccccc2C[C@H]1O Amb17779311 [1,0,0,1,0,0|2,0,0]=4 1808 B12R2.18 O=C1c2ccccc2CC1O Amb25342077 [1,0,0,1,0,0|2,0,0]=4 1809 B12R2.18 OC1Cc2ccccc2C1O Amb24323306 [1,0,0,1,0,0|2,0,0]=4 1810 B12R2.18 O[C@@H]1Cc2ccccc2[C@@H]1F Amb27428306 [1,0,0,1,0,0|2,0,0]=4 1811 B12R2.18 O[C@@H]1Cc2ccccc2[C@H]1O Amb10982589 [1,0,0,1,0,0|2,0,0]=4 1812 B12R2.18 O[C@H]1Cc2ccccc2[C@@H]1Cl Amb28052052 [1,0,0,1,0,0|2,0,0]=4 1813 B12R2.18 O[C@H]1Cc2ccccc2[C@@H]1O Amb27427979 [1,0,0,1,0,0|2,0,0]=4 1814 B12R2.18 [NH3+]C1c2ccccc2CC1O Amb33512943 [1,0,0,1,0,0|2,0,0]=4 1815 B12R2.23 CC1CCN1c2ccccc2 Amb28312828 [1,0,0,1,0,0|2,0,0]=4 1816 B12R2.23 CC1CNC1c2ccccc2 Amb19338009 [1,0,0,1,0,0|2,0,0]=4 1817 B12R2.23 CC1NCC1c2ccccc2 Amb25842786 [1,0,0,1,0,0|1,0,0]=3 1818 B12R2.23 NC1CCC1c2ccccc2 Amb19335290 [1,0,0,1,0,0|2,0,0]=4 1819 B12R2.23 NC1CCC1c2ccccc2 Amb24120632 [1,0,0,1,0,0|2,0,0]=4 1820 B12R2.23 N[C@@H]1CC[C@@H]1c2ccccc2 Amb28594309 [1,0,0,1,0,0|2,0,0]=4 1821 B12R2.23 N[C@@H]1CC[C@@H]1c2ccccc2 Amb32665507 [1,0,0,1,0,0|2,0,0]=4 1822 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb25174969 [1,0,0,1,0,0|2,0,0]=4 1823 B12R2.23 N[C@@H]1CC[C@H]1c2ccccc2 Amb33447016 [1,0,0,1,0,0|2,0,0]=4 1824 B12R2.23 N[C@H]1CC[C@H]1c2ccccc2 Amb27789894 [1,0,0,1,0,0|2,0,0]=4 1825 B12R2.23 OC1CCC1c2ccccc2 Amb19374437 [1,0,0,1,0,0|1,0,0]=3 1826 B12R2.23 OC1CCC1c2cccnc2 Amb25997850 [1,0,0,1,0,0|2,0,0]=4 1827 B12R2.23 OC1CNC1c2ccccc2 Amb25680030 [1,0,0,1,0,0|2,0,0]=4 1828 B12R2.23 OC1COC1c2ccccc2 Amb26336587 [1,0,0,1,0,0|2,0,0]=4 1829 B12R2.23 OC1CSC1c2ccccc2 Amb27396136 [1,0,0,1,0,0|2,0,0]=4 1830 B12R2.23 O[C@@H]1CO[C@@H]1c2ccccc2 Amb32679855 [1,0,0,1,0,0|2,0,0]=4 1831 B12R2.23 O[C@@H]1CO[C@H]1c2ccccc2 Amb32679869 [1,0,0,1,0,0|2,0,0]=4 1832 B12R2.23 O[C@H]1CC[C@H]1c2ccccc2 Amb27816201 [1,0,0,1,0,0|1,0,0]=3 1833 B12R2.23 O[C@H]1CO[C@H]1c2ccccc2 Amb28345399 [1,0,0,1,0,0|2,0,0]=4 1834 B12R2.24 BrC1CCc2ccccc2C1 Amb13952699 [1,0,0,1,0,0|2,0,0]=4 1835 B12R2.24 BrC1Cc2ccccc2CO1 Amb28048803 [1,0,0,1,0,0|1,0,0]=3 1836 B12R2.24 CC1=Nc2ccccc2CO1 Amb27391671 [1,0,0,1,0,0|1,0,1]=4 1837 B12R2.24 CC1CCc2ccccc2C1 Amb27232124 [1,0,0,1,0,0|1,0,0]=3 1838 B12R2.24 CC1CCc2ccccc2N1 Amb2792500 [1,0,0,1,0,0|2,0,0]=4 1839 B12R2.24 CC1CCc2ccccc2N1 Amb6773975 [1,0,0,1,0,0|2,0,0]=4 1840 B12R2.24 CC1CCc2ccccc2O1 Amb19515436 [1,0,0,1,0,0|2,0,0]=4 1841 B12R2.24 CC1CCc2cccnc2C1 Amb25187438 [1,0,0,1,0,0|2,0,0]=4 1842 B12R2.24 CC1CCc2ncccc2C1 Amb27474500 [1,0,0,1,0,0|2,0,0]=4 1843 B12R2.24 CC1CNc2ccccc2C1 Amb5745971 [1,0,0,1,0,0|2,0,0]=4 1844 B12R2.24 CC1Cc2ccccc2C=N1 Amb27481551 [1,0,0,1,0,0|1,0,1]=4 1845 B12R2.24 CC1Cc2ccccc2CN1 Amb4125575 [1,0,0,1,0,0|1,0,0]=3 1846 B12R2.24 CC1Cc2ccccc2CO1 Amb27490040 [1,0,0,1,0,0|0,0,0]=2 1847 B12R2.24 CC1Cc2ccncc2CN1 Amb24685008 [1,0,0,1,0,0|2,0,0]=4 1848 B12R2.24 CN1CCc2ccccc2C1 Amb22001820 [1,0,0,1,0,0|2,0,0]=4 1849 B12R2.24 CN1CCc2ccccc2C1 Amb2581727 [1,0,0,1,0,0|2,0,0]=4 1850 B12R2.24 CN1Cc2ccccc2CN1 Amb9677363 [1,0,0,1,0,0|2,0,0]=4 1851 B12R2.24 CN1Cc2ccccc2CO1 Amb27850763 [1,0,0,1,0,0|1,0,0]=3 1852 B12R2.24 C[C@@H]1CNc2ccccc2C1 Amb27975495 [1,0,0,1,0,0|2,0,0]=4 1853 B12R2.24 C[C@@H]1Cc2ccccc2C=N1 Amb8388240 [1,0,0,1,0,0|1,0,1]=4 1854 B12R2.24 ClC1CCc2ccccc2C1 Amb17672772 [1,0,0,1,0,0|2,0,0]=4 1855 B12R2.24 IC1CCc2ccccc2C1 Amb33714903 [1,0,0,1,0,0|2,0,0]=4 1856 B12R2.24 NC1CCc2ccccc2C1 Amb13952050 [1,0,0,1,0,0|2,0,0]=4 1857 B12R2.24 NC1CCc2ccccc2C1 Amb2383251 [1,0,0,1,0,0|2,0,0]=4 1858 B12R2.24 N[C@@H]1CCc2ccccc2C1 Amb25113422 [1,0,0,1,0,0|2,0,0]=4 1859 B12R2.24 N[C@H]1CCc2ccccc2C1 Amb8383954 [1,0,0,1,0,0|2,0,0]=4 1860 B12R2.24 O=C1Cc2ccccc2CO1 Amb17750259 [1,0,0,1,0,0|0,0,2]=4 1861 B12R2.24 O=S1Cc2ccccc2CO1 Amb27495622 [1,0,0,1,0,0|1,0,1]=4 1862 B12R2.24 OC1CCc2ccccc2C1 Amb2721268 [1,0,0,1,0,0|1,0,0]=3 1863 B12R2.24 OC1CCc2ccccc2N1 Amb27209313 [1,0,0,1,0,0|2,0,0]=4 1864 B12R2.24 OC1CCc2ccccc2O1 Amb22230405 [1,0,0,1,0,0|2,0,0]=4 1865 B12R2.24 OC1CNc2ccccc2C1 Amb33313463 [1,0,0,1,0,0|2,0,0]=4 1866 B12R2.24 OC1CNc2ccccc2C1 Amb33544228 [1,0,0,1,0,0|2,0,0]=4 1867 B12R2.24 OC1COc2ccccc2C1 Amb22498287 [1,0,0,1,0,0|2,0,0]=4 1868 B12R2.24 OC1Cc2ccccc2CO1 Amb17593730 [1,0,0,1,0,0|0,0,0]=2 1869 B12R2.24 O[C@@H]1CCc2ccccc2C1 Amb25043599 [1,0,0,1,0,0|1,0,0]=3 1870 B12R2.24 O[C@@H]1CNc2ccccc2C1 Amb24426871 [1,0,0,1,0,0|2,0,0]=4 1871 B12R2.24 O[C@@H]1COc2ccccc2C1 Amb28321438 [1,0,0,1,0,0|2,0,0]=4 1872 B12R2.24 O[C@H]1CCc2ccccc2C1 Amb25149682 [1,0,0,1,0,0|1,0,0]=3 1873 B12R2.24 O[C@H]1CNc2ccccc2C1 Amb27617395 [1,0,0,1,0,0|2,0,0]=4 1874 B12R2.24 SC1CCc2ccccc2C1 Amb17672773 [1,0,0,1,0,0|1,1,0]=4 1875 B12R2.27 BrCC1CC1c2ccccc2 Amb25099525 [1,0,0,1,0,0|2,0,0]=4 1876 B12R2.27 BrC[C@@H]1C[C@H]1c2ccccc2 Amb26055377 [1,0,0,1,0,0|2,0,0]=4 1877 B12R2.27 BrC[C@@H]1O[C@H]1c2ccccc2 Amb28249045 [1,0,0,1,0,0|2,0,0]=4 1878 B12R2.27 C#CC1OC1c2ccccc2 Amb28254723 [1,0,0,1,0,0|1,0,1]=4 1879 B12R2.27 C=CC1CC1c2ccccc2 Amb26889126 [1,0,0,1,0,0|1,0,1]=4 1880 B12R2.27 CC[C@@H]1O[C@H]1c2ccccc2 Amb27768002 [1,0,0,1,0,0|1,0,0]=3 1881 B12R2.27 CNC1CC1c2ccccc2 Amb18957298 [1,0,0,1,0,0|1,0,0]=3 1882 B12R2.27 CNC1CC1c2ccccc2 Amb20630184 [1,0,0,1,0,0|1,0,0]=3 1883 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 Amb28056101 [1,0,0,1,0,0|1,0,0]=3 1884 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 Amb33309625 [1,0,0,1,0,0|1,0,0]=3 1885 B12R2.27 ClC[C@@H]1O[C@@H]1c2ccccc2 Amb28457544 [1,0,0,1,0,0|2,0,0]=4 1886 B12R2.27 N#CC1CC1c2ccccc2 Amb17231961 [1,0,0,1,0,0|2,0,0]=4 1887 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 Amb25309014 [1,0,0,1,0,0|2,0,0]=4 1888 B12R2.27 N#C[C@H]1C[C@@H]1c2ccccc2 Amb27613258 [1,0,0,1,0,0|2,0,0]=4 1889 B12R2.27 NCC1CC1c2ccccc2 Amb17232030 [1,0,0,1,0,0|2,0,0]=4 1890 B12R2.27 NCC1CC1c2ccccc2 Amb19515036 [1,0,0,1,0,0|2,0,0]=4 1891 B12R2.27 NCC1OC1c2ccccc2 Amb25836323 [1,0,0,1,0,0|2,0,0]=4 1892 B12R2.27 NC[C@@H]1C[C@@H]1c2ccccc2 Amb34916191 [1,0,0,1,0,0|2,0,0]=4 1893 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 Amb24514797 [1,0,0,1,0,0|2,0,0]=4 1894 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 Amb32661485 [1,0,0,1,0,0|2,0,0]=4 1895 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 Amb24606663 [1,0,0,1,0,0|2,0,0]=4 1896 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 Amb32664390 [1,0,0,1,0,0|2,0,0]=4 1897 B12R2.27 NC[C@H]1C[C@H]1c2ccccc2 Amb34916190 [1,0,0,1,0,0|2,0,0]=4 1898 B12R2.27 NC[C@H]1O[C@@H]1c2ccccc2 Amb27188182 [1,0,0,1,0,0|2,0,0]=4 1899 B12R2.27 O=CC1CC1c2ccccc2 Amb10844842 [1,0,0,1,0,0|2,0,0]=4 1900 B12R2.27 O=C[C@@H]1C[C@@H]1c2ccccc2 Amb26433208 [1,0,0,1,0,0|2,0,0]=4 1901 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 Amb25368620 [1,0,0,1,0,0|2,0,0]=4 1902 B12R2.27 O=C[C@@H]1O[C@H]1c2ccccc2 Amb26550113 [1,0,0,1,0,0|2,0,0]=4 1903 B12R2.27 O=C[C@H]1C[C@@H]1c2ccccc2 Amb27421992 [1,0,0,1,0,0|2,0,0]=4 1904 B12R2.27 O=C[C@H]1C[C@H]1c2ccccc2 Amb26548788 [1,0,0,1,0,0|2,0,0]=4 1905 B12R2.27 O=C[C@H]1O[C@@H]1c2ccccc2 Amb28195860 [1,0,0,1,0,0|2,0,0]=4 1906 B12R2.27 OCC1CC1c2ccccc2 Amb17605543 [1,0,0,1,0,0|2,0,0]=4 1907 B12R2.27 OCC1C[C@@H]1c2ccccc2 Amb28182630 [1,0,0,1,0,0|2,0,0]=4 1908 B12R2.27 OCC1C[C@H]1c2ccccc2 Amb28207313 [1,0,0,1,0,0|2,0,0]=4 1909 B12R2.27 OCC1OC1c2ccccc2 Amb24063567 [1,0,0,1,0,0|2,0,0]=4 1910 B12R2.27 OC[C@@H]1C[C@@H]1c2ccccc2 Amb25917153 [1,0,0,1,0,0|2,0,0]=4 1911 B12R2.27 OC[C@@H]1C[C@H]1c2ccccc2 Amb28146004 [1,0,0,1,0,0|2,0,0]=4 1912 B12R2.27 OC[C@H]1C[C@@H]1c2ccccc2 Amb3634122 [1,0,0,1,0,0|2,0,0]=4 1913 B12R2.27 OC[C@H]1O[C@@H]1c2ccccc2 Amb20242388 [1,0,0,1,0,0|2,0,0]=4 1914 B12R2.27 OC[C@H]1O[C@H]1c2ccccc2 Amb27432251 [1,0,0,1,0,0|2,0,0]=4 1915 B12R2.32 BrCC1Cc2ccccc2C1 Amb22235471 [1,0,0,1,0,0|2,0,0]=4 1916 B12R2.32 BrCC1Cc2ccccc2O1 Amb17040446 [1,0,0,1,0,0|2,0,0]=4 1917 B12R2.32 C#CC1Cc2ccccc2C1 Amb24074759 [1,0,0,1,0,0|1,0,1]=4 1918 B12R2.32 C=CC1Cc2ccccc2C1 Amb33342617 [1,0,0,1,0,0|1,0,1]=4 1919 B12R2.32 CCC1Cc2ccccc2N1 Amb27238349 [1,0,0,1,0,0|2,0,0]=4 1920 B12R2.32 CCC1Nc2ccccc2O1 Amb28046870 [1,0,0,1,0,0|2,0,0]=4 1921 B12R2.32 CNC1Cc2ccccc2C1 Amb21955693 [1,0,0,1,0,0|1,0,0]=3 1922 B12R2.32 CNC1Cc2ccccc2C1 Amb9173647 [1,0,0,1,0,0|1,0,0]=3 1923 B12R2.32 CNN1Cc2ccccc2C1 Amb26035337 [1,0,0,1,0,0|2,0,0]=4 1924 B12R2.32 CON1Cc2ccccc2C1 Amb27965846 [1,0,0,1,0,0|1,0,0]=3 1925 B12R2.32 COc1cc2ccccc2o1 Amb27962930 [1,0,0,1,0,0|0,0,2]=4 1926 B12R2.32 ClCC1Cc2ccccc2C1 Amb27395181 [1,0,0,1,0,0|2,0,0]=4 1927 B12R2.32 ClCC1Cc2ccccc2O1 Amb33550114 [1,0,0,1,0,0|2,0,0]=4 1928 B12R2.32 ICC1Cc2ccccc2C1 Amb27460286 [1,0,0,1,0,0|2,0,0]=4 1929 B12R2.32 ICC1Cc2ccccc2O1 Amb23513694 [1,0,0,1,0,0|2,0,0]=4 1930 B12R2.32 N#CC1Cc2ccccc2C1 Amb9675769 [1,0,0,1,0,0|2,0,0]=4 1931 B12R2.32 NCC1Cc2ccccc2C1 Amb19287049 [1,0,0,1,0,0|2,0,0]=4 1932 B12R2.32 NCC1Cc2ccccc2C1 Amb9675770 [1,0,0,1,0,0|2,0,0]=4 1933 B12R2.32 NCC1Cc2ccccc2O1 Amb2723363 [1,0,0,1,0,0|2,0,0]=4 1934 B12R2.32 NCC1Cc2ccccc2O1 Amb9717685 [1,0,0,1,0,0|2,0,0]=4 1935 B12R2.32 NNC1Cc2ccccc2C1 Amb10071076 [1,0,0,1,0,0|2,0,0]=4 1936 B12R2.32 NNC1Cc2ccccc2C1 Amb19890159 [1,0,0,1,0,0|2,0,0]=4 1937 B12R2.32 NNC1Cc2ccccc2C1 Amb9675735 [1,0,0,1,0,0|2,0,0]=4 1938 B12R2.32 O=CC1Cc2ccccc2C1 Amb33547407 [1,0,0,1,0,0|2,0,0]=4 1939 B12R2.32 OCC1Cc2ccccc2C1 Amb19516120 [1,0,0,1,0,0|2,0,0]=4 1940 B12R2.32 OCC1Cc2ccccc2O1 Amb9782879 [1,0,0,1,0,0|2,0,0]=4 1941 B12R2.32 ONC1Cc2ccccc2C1 Amb27648605 [1,0,0,1,0,0|2,0,0]=4 1942 B12R2.32 SCC1Cc2ccccc2C1 Amb33342304 [1,0,0,1,0,0|2,0,0]=4 1943 B12R2.32 [C-]#[N+]C1Cc2ccccc2C1 Amb33342897 [1,0,0,1,0,0|1,0,1]=4 1944 B12R2.37 CC1C(=O)C1c2ccccc2 Amb28324419 [1,0,0,1,0,0|2,0,0]=4 1945 B12R2.37 CC1C(N)C1c2ccccc2 Amb26503439 [1,0,0,1,0,0|2,0,0]=4 1946 B12R2.37 CC1C(N)C1c2ccccc2 Amb35751900 [1,0,0,1,0,0|2,0,0]=4 1947 B12R2.37 CC1C(c2ccccc2)N1C Amb29838148 [1,0,0,1,0,0|1,0,0]=3 1948 B12R2.94 CC1(Cc2ccccc2)CO1 Amb26023524 [1,0,0,1,0,0|0,0,0]=2 1949 B12R2.94 CC1(Cc2ccccn2)CO1 Amb27749783 [1,0,0,1,0,0|1,0,0]=3 1950 B12R2.94 CC1(Nc2ccccc2)CC1 Amb27176430 [1,0,0,1,0,0|2,0,0]=4 1951 B12R2.94 FC1(Cc2ccccc2)CC1 Amb28326343 [1,0,0,1,0,0|2,0,0]=4 1952 B12R2.94 NC1(Cc2ccccc2)CC1 Amb22587208 [1,0,0,1,0,0|2,0,0]=4 1953 B12R2.94 NC1(Cc2ccccc2)CC1 Amb2607807 [1,0,0,1,0,0|2,0,0]=4 1954 B12R2.94 NC1(Cc2ccccc2)CC1 Amb2721362 [1,0,0,1,0,0|2,0,0]=4 1955 B12R2.94 OC1(Cc2ccccc2)CC1 Amb19374431 [1,0,0,1,0,0|1,0,0]=3 1956 B12R2.94 OC1(Cc2ccccn2)CC1 Amb33360132 [1,0,0,1,0,0|2,0,0]=4 1957 B12R2.94 OC1(Cc2cccnc2)CC1 Amb27207956 [1,0,0,1,0,0|2,0,0]=4 1958 B12R2.94 OC1(Cc2ccncc2)CC1 Amb25768733 [1,0,0,1,0,0|2,0,0]=4 1959 B12R2.2051 C=CC1(C)Cc2ccccc21 Amb17778871 [1,0,0,1,0,0|1,0,1]=4 1960 B12R2.2058 B1CC(Cc2ccccc2)C1 Amb25243383 [1,0,0,1,0,0|2,0,0]=4 1961 B12R2.2058 c1ccc(CC2CCN2)cc1 Amb33552346 [1,0,0,1,0,0|1,0,0]=3 1962 B12R2.2058 c1ccc(CC2CCN2)cc1 Amb7808794 [1,0,0,1,0,0|1,0,0]=3 1963 B12R2.2058 c1ccc(CC2CNC2)cc1 Amb1123190 [1,0,0,1,0,0|2,0,0]=4 1964 B12R2.2058 c1ccc(CC2CNC2)cc1 Amb19373673 [1,0,0,1,0,0|2,0,0]=4 1965 B12R2.2058 c1ccc(CC2COC2)cc1 Amb27602505 [1,0,0,1,0,0|2,0,0]=4 1966 B12R2.2058 c1ccc(CN2CCC2)cc1 Amb27391196 [1,0,0,1,0,0|2,0,0]=4 1967 B12R2.2058 c1ccc(NC2CCC2)cc1 Amb18283820 [1,0,0,1,0,0|2,0,0]=4 1968 B12R2.2058 c1ccc(SC2CCC2)cc1 Amb10976023 [1,0,0,1,0,0|2,0,0]=4 1969 B12R2.1 C=CC1OCc2ccccc21 Amb8392579 [0,0,0,1,1,0|1,0,1]=4 1970 B12R2.1 CCC1NCc2ccccc21 Amb24377125 [0,0,0,1,1,0|2,0,0]=4 1971 B12R2.1 CCC1NCc2ccccc21 Amb30584702 [0,0,0,1,1,0|2,0,0]=4 1972 B12R2.1 CNC1CCc2ccccc21 Amb9705483 [0,0,0,1,1,0|2,0,0]=4 1973 B12R2.1 COC1=CCc2ccccc21 Amb17778910 [0,0,0,1,1,0|1,0,1]=4 1974 B12R2.1 COC1CCc2ccccc21 Amb25880282 [0,0,0,1,1,0|1,0,0]=3 1975 B12R2.1 COC1CNc2ccccc21 Amb27863100 [0,0,0,1,1,0|2,0,0]=4 1976 B12R2.1 COC1OCc2ccccc21 Amb24323529 [0,0,0,1,1,0|0,0,0]=2 1977 B12R2.1 NCC1OCc2ccccc21 Amb28067348 [0,0,0,1,1,0|2,0,0]=4 1978 B12R2.1 NCC1OCc2ccccc21 Amb28872331 [0,0,0,1,1,0|2,0,0]=4 1979 B12R2.1 O=CC1OCc2ccccc21 Amb27225913 [0,0,0,1,1,0|2,0,0]=4 1980 B12R2.2 c1cc(C2NCCO2)ccn1 Amb17334300 [0,0,0,1,1,0|2,0,0]=4 1981 B12R2.2 c1cc(C2OCCO2)ccn1 Amb17334309 [0,0,0,1,1,0|1,0,0]=3 1982 B12R2.2 c1ccc(B2OCCO2)nc1 Amb22490930 [0,0,0,1,1,0|2,0,0]=4 1983 B12R2.2 c1ccc(C2=NCCO2)cc1 Amb18063911 [0,0,0,1,1,0|1,0,1]=4 1984 B12R2.2 c1ccc(C2CCCC2)cc1 Amb9787161 [0,0,0,1,1,0|2,0,0]=4 1985 B12R2.2 c1ccc(C2CCCN2)cc1 Amb10808365 [0,0,0,1,1,0|2,0,0]=4 1986 B12R2.2 c1ccc(C2CCCN2)cc1 Amb9702996 [0,0,0,1,1,0|2,0,0]=4 1987 B12R2.2 c1ccc(C2CCCO2)cc1 Amb17334283 [0,0,0,1,1,0|1,0,0]=3 1988 B12R2.2 c1ccc(C2CCC[NH2+]2)cc1 Amb33512932 [0,0,0,1,1,0|2,0,0]=4 1989 B12R2.2 c1ccc(C2CNCO2)cc1 Amb18065307 [0,0,0,1,1,0|2,0,0]=4 1990 B12R2.2 c1ccc(C2NCCO2)cc1 Amb17334284 [0,0,0,1,1,0|1,0,0]=3 1991 B12R2.2 c1ccc(C2NCCO2)nc1 Amb17334298 [0,0,0,1,1,0|2,0,0]=4 1992 B12R2.2 c1ccc(C2NCCP2)cc1 Amb27606514 [0,0,0,1,1,0|2,0,0]=4 1993 B12R2.2 c1ccc(C2NCCS2)cc1 Amb3466213 [0,0,0,1,1,0|1,1,0]=4 1994 B12R2.2 c1ccc(C2OCCO2)cc1 Amb9786741 [0,0,0,1,1,0|0,0,0]=2 1995 B12R2.2 c1ccc(C2OCCO2)nc1 Amb17334307 [0,0,0,1,1,0|1,0,0]=3 1996 B12R2.2 c1ccc(C2SCCS2)cc1 Amb23401446 [0,0,0,1,1,0|0,2,0]=4 1997 B12R2.2 c1ccc([C@@H]2CCCN2)cc1 Amb20241933 [0,0,0,1,1,0|2,0,0]=4 1998 B12R2.2 c1ccc([C@@H]2CCCN2)cc1 Amb8397178 [0,0,0,1,1,0|2,0,0]=4 1999 B12R2.2 c1ccc([C@H]2CCCN2)cc1 Amb20241932 [0,0,0,1,1,0|2,0,0]=4 2000 B12R2.2 c1ccc([C@H]2CCCN2)cc1 Amb8397179 [0,0,0,1,1,0|2,0,0]=4 2001 B12R2.2 c1cncc(C2NCCO2)c1 Amb17334299 [0,0,0,1,1,0|2,0,0]=4 2002 B12R2.2 c1cncc(C2OCCO2)c1 Amb17334308 [0,0,0,1,1,0|1,0,0]=3 2003 B12R2.2 c1ncc(C2OCCO2)cn1 Amb25710715 [0,0,0,1,1,0|2,0,0]=4 2004 B12R2.48 CCC1(c2ccccc2)CO1 Amb25063378 [0,0,0,1,1,0|1,0,0]=3 2005 B12R2.48 CCC1(c2ccccn2)CO1 Amb33747829 [0,0,0,1,1,0|2,0,0]=4 2006 B12R2.48 CCC1(c2cccnc2)CO1 Amb33747828 [0,0,0,1,1,0|2,0,0]=4 2007 B12R2.48 CCC1(c2ccncc2)CO1 Amb24386909 [0,0,0,1,1,0|2,0,0]=4 2008 B12R2.48 CNC1(c2ccccc2)CC1 Amb25063013 [0,0,0,1,1,0|2,0,0]=4 2009 B12R2.48 N#CC1(c2ccccc2)CO1 Amb27839772 [0,0,0,1,1,0|2,0,0]=4 2010 B12R2.48 OCC1(c2ccccc2)CO1 Amb27617712 [0,0,0,1,1,0|2,0,0]=4 2011 B12R2.48 OC[C@@]1(c2ccccc2)CO1 Amb27472663 [0,0,0,1,1,0|2,0,0]=4 2012 B12R2.2047 COC1C(=O)c2ccccc21 Amb28201023 [0,0,0,1,1,0|2,0,0]=4 2013 B12R2.98 C1=CC(CC2OCCO2)=CC1 Amb25149360 [0,0,0,1,1,0|0,0,1]=3 2014 B12R2.98 c1cn(CC2OCCO2)cn1 Amb26624593 [0,0,0,1,1,0|2,0,0]=4 2015 B12R2.98 c1cnn(CC2OCCO2)c1 Amb28365412 [0,0,0,1,1,0|2,0,0]=4 2016 B14R2.8 BrCC1CC(c2ccccc2)CO1 Amb27751749 [0,0,0,1,0,1|2,0,0]=4 2017 B14R2.8 CCC1NCC(c2ccccc2)O1 Amb28054826 [0,0,0,1,0,1|2,0,0]=4 2018 B14R2.8 CCC1OCC(c2ccccc2)O1 Amb4036253 [0,0,0,1,0,1|1,0,0]=3 2019 B14R2.8 CNC1CC(c2ccccc2)CN1 Amb27407842 [0,0,0,1,0,1|2,0,0]=4 2020 B14R2.8 CNC1CCC(c2ccccc2)C1 Amb18065568 [0,0,0,1,0,1|2,0,0]=4 2021 B14R2.8 COC1=NC(c2ccccc2)CN1 Amb27827838 [0,0,0,1,0,1|1,0,1]=4 2022 B14R2.8 COC1CN=C(c2ccccc2)C1 Amb27423722 [0,0,0,1,0,1|2,0,0]=4 2023 B14R2.8 CO[C@@H]1CCN(c2ccccn2)C1 Amb28314868 [0,0,0,1,0,1|2,0,0]=4 2024 B14R2.8 CO[C@H]1CCN(c2ccncc2)C1 Amb27823781 [0,0,0,1,0,1|2,0,0]=4 2025 B14R2.8 NCC1CC(c2ccccc2)CO1 Amb32665180 [0,0,0,1,0,1|2,0,0]=4 2026 B14R2.8 NC[C@@H]1C[C@@H](c2ccccc2)CO1 Amb32665182 [0,0,0,1,0,1|2,0,0]=4 2027 B14R2.8 NC[C@@H]1C[C@H](c2ccccc2)CO1 Amb32665181 [0,0,0,1,0,1|2,0,0]=4 2028 B14R2.8 OC[C@H]1C[C@H](c2ccccc2)CO1 Amb27448783 [0,0,0,1,0,1|2,0,0]=4 2029 B14R2.31 CC1CCC1COc2ccccc2 Amb23455994 [0,0,0,1,0,1|2,0,0]=4 2030 B14R2.31 CC1CCC1NCc2ccccc2 Amb27470421 [0,0,0,1,0,1|2,0,0]=4 2031 B14R2.92 CCC1NCc2ccccc2C1C Amb18127527 [0,0,0,1,0,1|2,0,0]=4 2032 B14R2.92 COC1CCc2ccccc2C1=O Amb17594484 [0,0,0,1,0,1|2,0,0]=4 2033 B14R2.92 COC1COc2ccccc2C1N Amb6660437 [0,0,0,1,0,1|2,0,0]=4 2034 B14R2.93 BrCC1OCc2ccccc2CO1 Amb534223 [0,0,0,1,0,1|2,0,0]=4 2035 B14R2.93 C=CC1OCc2ccccc2CO1 Amb25840304 [0,0,0,1,0,1|1,0,1]=4 2036 B14R2.93 COC1OCc2ccccc2CO1 Amb9786227 [0,0,0,1,0,1|0,0,0]=2 2037 B14R2.93 CSC1CCc2ccccc2NC1 Amb28250526 [0,0,0,1,0,1|1,1,0]=4 2038 B14R2.101 C(=C\C1CCCO1)/c2ccccc2 Amb4103388 [0,0,0,1,0,1|1,0,1]=4 2039 B14R2.101 C(=C\C1OCCO1)/c2ccccc2 Amb26483959 [0,0,0,1,0,1|0,0,1]=3 2040 B14R2.101 C(=C\C1OCCO1)/c2cccnc2 Amb27492900 [0,0,0,1,0,1|1,0,1]=4 2041 B14R2.101 C(=N\C1CCCO1)/c2ccccc2 Amb26008253 [0,0,0,1,0,1|1,0,1]=4 2042 B14R2.101 C1=C(CNc2ccccc2)OCC1 Amb27873530 [0,0,0,1,0,1|1,0,1]=4 2043 B14R2.101 C1=CC(OCc2ccccc2)OC1 Amb8394302 [0,0,0,1,0,1|1,0,1]=4 2044 B14R2.101 c1cc(NCC2CCCO2)ccn1 Amb6626131 [0,0,0,1,0,1|2,0,0]=4 2045 B14R2.101 c1cc(OCC2CCCO2)ccn1 Amb20623973 [0,0,0,1,0,1|2,0,0]=4 2046 B14R2.101 c1ccc(CCC2CCCN2)cc1 Amb10609225 [0,0,0,1,0,1|2,0,0]=4 2047 B14R2.101 c1ccc(CCC2CCCN2)cc1 Amb3788238 [0,0,0,1,0,1|2,0,0]=4 2048 B14R2.101 c1ccc(CCC2NCCN2)cc1 Amb28286178 [0,0,0,1,0,1|2,0,0]=4 2049 B14R2.101 c1ccc(CC[C@@H]2CCCN2)cc1 Amb27647579 [0,0,0,1,0,1|2,0,0]=4 2050 B14R2.101 c1ccc(CNC2CCCC2)cc1 Amb1681062 [0,0,0,1,0,1|2,0,0]=4 2051 B14R2.101 c1ccc(CNC2CCCC2)cc1 Amb6542574 [0,0,0,1,0,1|2,0,0]=4 2052 B14R2.101 c1ccc(COC2CCCC2)cc1 Amb21856199 [0,0,0,1,0,1|2,0,0]=4 2053 B14R2.101 c1ccc(COC2CCCO2)cc1 Amb22752558 [0,0,0,1,0,1|1,0,0]=3 2054 B14R2.101 c1ccc(NCC2CCCC2)cc1 Amb17233131 [0,0,0,1,0,1|2,0,0]=4 2055 B14R2.101 c1ccc(NCC2CCCN2)cc1 Amb17226586 [0,0,0,1,0,1|2,0,0]=4 2056 B14R2.101 c1ccc(NCC2CCCN2)cc1 Amb2236197 [0,0,0,1,0,1|2,0,0]=4 2057 B14R2.101 c1ccc(NC[C@H]2CCCN2)cc1 Amb6357867 [0,0,0,1,0,1|2,0,0]=4 2058 B14R2.101 c1ccc(OCC2CCCN2)cc1 Amb32662677 [0,0,0,1,0,1|2,0,0]=4 2059 B14R2.101 c1ccc(OCC2CCCN2)cc1 Amb4135004 [0,0,0,1,0,1|2,0,0]=4 2060 B14R2.101 c1ccc(OCC2OCCO2)cc1 Amb18035951 [0,0,0,1,0,1|0,0,0]=2 2061 B14R2.101 c1ccc(OC[C@@H]2CCCN2)cc1 Amb17051823 [0,0,0,1,0,1|2,0,0]=4 2062 B14R2.101 c1ccc(OC[C@@H]2CCCN2)cc1 Amb22225505 [0,0,0,1,0,1|2,0,0]=4 2063 B14R2.101 c1ccc(OC[C@H]2CCCN2)cc1 Amb24077505 [0,0,0,1,0,1|2,0,0]=4 2064 B14R2.101 c1ccc(OC[C@H]2CCCN2)cc1 Amb27227958 [0,0,0,1,0,1|2,0,0]=4 2065 B14R2.101 c1ccc(OC[C@H]2CCCO2)nc1 Amb28201673 [0,0,0,1,0,1|2,0,0]=4 2066 B14R2.101 c1ccc(PCC2CCCN2)cc1 Amb27462206 [0,0,0,1,0,1|2,0,0]=4 2067 B14R2.101 c1ccc(SCC2CCCC2)cc1 Amb27188649 [0,0,0,1,0,1|2,0,0]=4 2068 B14R2.101 c1ccc(SCC2CCCN2)cc1 Amb18985019 [0,0,0,1,0,1|2,0,0]=4 2069 B14R2.101 c1ccc(SC[C@H]2CCCN2)cc1 Amb27759076 [0,0,0,1,0,1|2,0,0]=4 2070 B14R2.101 c1cncc(OCC2OCCO2)c1 Amb26519837 [0,0,0,1,0,1|1,0,0]=3 2071 B14R2.101 c1cnnc(SCC2OCCO2)c1 Amb27254784 [0,0,0,1,0,1|2,0,0]=4 2072 B14R2.1134 CNC1CC(c2ccccc2)C1C Amb27811739 [0,0,0,1,0,1|2,0,0]=4 2073 B14R2.3492 CNC1(CCc2ccccc2)CC1 Amb32953130 [0,0,0,1,0,1|2,0,0]=4 2074 B14R2.3492 CSC1(CNc2ccccc2)CC1 Amb27760738 [0,0,0,1,0,1|1,1,0]=4 2075 B14R2.16831 CCC1(CC)CNc2ccccc21 Amb19374227 [0,0,0,1,0,1|2,0,0]=4 2076 B14R2.16831 COC1(C=O)CCc2ccccc21 Amb27862800 [0,0,0,1,0,1|2,0,0]=4 2077 B14R2.16831 COC1(CN)COc2ccccc21 Amb28368884 [0,0,0,1,0,1|2,0,0]=4 2078 B14R2.16831 COC1(CN)CSc2ccccc21 Amb27209613 [0,0,0,1,0,1|2,0,0]=4 2079 B14R2.6 C1=CC(Cc2ccccc2)NCC1 Amb18127112 [0,1,0,1,0,0|2,0,0]=4 2080 B14R2.6 C1=CC(Oc2ccccc2)OCC1 Amb27868769 [0,1,0,1,0,0|2,0,0]=4 2081 B14R2.6 c1cc(CC2CNCCO2)ccn1 Amb23454937 [0,1,0,1,0,0|2,0,0]=4 2082 B14R2.6 c1ccc(CC2CCCCC2)cc1 Amb4020088 [0,1,0,1,0,0|2,0,0]=4 2083 B14R2.6 c1ccc(CC2CCCCN2)cc1 Amb17659191 [0,1,0,1,0,0|2,0,0]=4 2084 B14R2.6 c1ccc(CC2CCCCN2)cc1 Amb9768306 [0,1,0,1,0,0|2,0,0]=4 2085 B14R2.6 c1ccc(CC2CCCC[NH2+]2)cc1 Amb33513128 [0,1,0,1,0,0|2,0,0]=4 2086 B14R2.6 c1ccc(CC2CCCNC2)cc1 Amb10068913 [0,1,0,1,0,0|2,0,0]=4 2087 B14R2.6 c1ccc(CC2CCCNC2)cc1 Amb2695119 [0,1,0,1,0,0|2,0,0]=4 2088 B14R2.6 c1ccc(CC2CCC[NH2+]C2)cc1 Amb33513127 [0,1,0,1,0,0|2,0,0]=4 2089 B14R2.6 c1ccc(CC2CCNCC2)cc1 Amb20248128 [0,1,0,1,0,0|2,0,0]=4 2090 B14R2.6 c1ccc(CC2CCNCC2)cc1 Amb2792831 [0,1,0,1,0,0|2,0,0]=4 2091 B14R2.6 c1ccc(CC2CNCCN2)cc1 Amb10068437 [0,1,0,1,0,0|2,0,0]=4 2092 B14R2.6 c1ccc(CC2CNCCN2)cc1 Amb20240950 [0,1,0,1,0,0|2,0,0]=4 2093 B14R2.6 c1ccc(CC2CNCCO2)cc1 Amb31195462 [0,1,0,1,0,0|1,0,0]=3 2094 B14R2.6 c1ccc(CC2CNCCO2)cc1 Amb32411930 [0,1,0,1,0,0|1,0,0]=3 2095 B14R2.6 c1ccc(CC2CNCCO2)cc1 Amb8011282 [0,1,0,1,0,0|1,0,0]=3 2096 B14R2.6 c1ccc(CC2CNCCO2)nc1 Amb23454938 [0,1,0,1,0,0|2,0,0]=4 2097 B14R2.6 c1ccc(CC2CNCCS2)cc1 Amb18565446 [0,1,0,1,0,0|1,1,0]=4 2098 B14R2.6 c1ccc(CC2CNCOC2)cc1 Amb27772115 [0,1,0,1,0,0|2,0,0]=4 2099 B14R2.6 c1ccc(CC2COCCN2)cc1 Amb10068897 [0,1,0,1,0,0|1,0,0]=3 2100 B14R2.6 c1ccc(CC2COCCN2)cc1 Amb8009649 [0,1,0,1,0,0|1,0,0]=3 2101 B14R2.6 c1ccc(CC2CSCCN2)cc1 Amb18565445 [0,1,0,1,0,0|1,1,0]=4 2102 B14R2.6 c1ccc(CC2NCCCO2)cc1 Amb17506195 [0,1,0,1,0,0|1,0,0]=3 2103 B14R2.6 c1ccc(CC2NCCCS2)cc1 Amb27177019 [0,1,0,1,0,0|1,1,0]=4 2104 B14R2.6 c1ccc(C[C@@H]2CCCCN2)cc1 Amb22892828 [0,1,0,1,0,0|2,0,0]=4 2105 B14R2.6 c1ccc(C[C@@H]2CNCCN2)cc1 Amb19515800 [0,1,0,1,0,0|2,0,0]=4 2106 B14R2.6 c1ccc(C[C@@H]2CNCCN2)cc1 Amb22752073 [0,1,0,1,0,0|2,0,0]=4 2107 B14R2.6 c1ccc(C[C@@H]2CNCCO2)cc1 Amb20242077 [0,1,0,1,0,0|1,0,0]=3 2108 B14R2.6 c1ccc(C[C@@H]2CNCOC2)cc1 Amb28141038 [0,1,0,1,0,0|2,0,0]=4 2109 B14R2.6 c1ccc(C[C@@H]2COCCN2)cc1 Amb20242985 [0,1,0,1,0,0|1,0,0]=3 2110 B14R2.6 c1ccc(C[C@H]2CCCCN2)cc1 Amb27607714 [0,1,0,1,0,0|2,0,0]=4 2111 B14R2.6 c1ccc(C[C@H]2CCCNC2)cc1 Amb25861291 [0,1,0,1,0,0|2,0,0]=4 2112 B14R2.6 c1ccc(C[C@H]2CNCCN2)cc1 Amb15690734 [0,1,0,1,0,0|2,0,0]=4 2113 B14R2.6 c1ccc(C[C@H]2CNCCN2)cc1 Amb34910880 [0,1,0,1,0,0|2,0,0]=4 2114 B14R2.6 c1ccc(C[C@H]2CNCCO2)cc1 Amb20242078 [0,1,0,1,0,0|1,0,0]=3 2115 B14R2.6 c1ccc(C[C@H]2COCCN2)cc1 Amb20242986 [0,1,0,1,0,0|1,0,0]=3 2116 B14R2.6 c1ccc(C[C@H]2COCCN2)cc1 Amb22226651 [0,1,0,1,0,0|1,0,0]=3 2117 B14R2.6 c1ccc(OC2CCCCO2)cc1 Amb17673726 [0,1,0,1,0,0|2,0,0]=4 2118 B14R2.6 c1ccc(SC2CCCCO2)cc1 Amb4035372 [0,1,0,1,0,0|2,0,0]=4 2119 B14R2.6 c1cncc(CC2CNCCO2)c1 Amb27826347 [0,1,0,1,0,0|2,0,0]=4 2120 B14R2.14 CCC1CCNC1c2ccccc2 Amb3788233 [0,1,0,1,0,0|2,0,0]=4 2121 B14R2.14 CCC1CNCC1c2ccccc2 Amb24563782 [0,1,0,1,0,0|2,0,0]=4 2122 B14R2.14 CCC1NCOC1c2ccccc2 Amb27631242 [0,1,0,1,0,0|2,0,0]=4 2123 B14R2.14 CC[C@@H]1CCN[C@H]1c2ccccc2 Amb27437908 [0,1,0,1,0,0|2,0,0]=4 2124 B14R2.14 CC[C@H]1CCN[C@H]1c2ccccc2 Amb27623237 [0,1,0,1,0,0|2,0,0]=4 2125 B14R2.14 CNC1CCCC1c2ccccc2 Amb18286605 [0,1,0,1,0,0|2,0,0]=4 2126 B14R2.14 CNC1COCC1c2ccccc2 Amb35635689 [0,1,0,1,0,0|1,0,0]=3 2127 B14R2.14 CNC1COCC1c2cccnc2 Amb35635706 [0,1,0,1,0,0|2,0,0]=4 2128 B14R2.14 CN[C@@H]1CCC[C@H]1c2ccccc2 Amb27944980 [0,1,0,1,0,0|2,0,0]=4 2129 B14R2.14 COC1=CCN[C@H]1c2ccccc2 Amb27985927 [0,1,0,1,0,0|1,0,1]=4 2130 B14R2.14 COC1CCNC1c2ccccc2 Amb27646662 [0,1,0,1,0,0|1,0,0]=3 2131 B14R2.14 CO[C@@H]1CNC[C@H]1c2ccccc2 Amb27419896 [0,1,0,1,0,0|1,0,0]=3 2132 B14R2.14 NCC1COCC1c2ccccc2 Amb27624694 [0,1,0,1,0,0|2,0,0]=4 2133 B14R2.14 NCC1OCCC1c2ccccc2 Amb27783508 [0,1,0,1,0,0|2,0,0]=4 2134 B14R2.14 OCC1OCCC1c2ccccc2 Amb27604505 [0,1,0,1,0,0|2,0,0]=4 2135 B14R2.14 OC[C@@H]1OCC[C@H]1c2ccccc2 Amb27805095 [0,1,0,1,0,0|2,0,0]=4 2136 B14R2.19 BrC1CCC(Cc2ccccc2)C1 Amb25345569 [0,1,0,1,0,0|2,0,0]=4 2137 B14R2.19 CC1CNC(Cc2ccccc2)S1 Amb28343147 [0,1,0,1,0,0|1,1,0]=4 2138 B14R2.19 C[C@@H]1CN[C@H](Cc2ccccc2)C1 Amb27427697 [0,1,0,1,0,0|2,0,0]=4 2139 B14R2.19 C[C@H]1CN[C@@H](Cc2ccccc2)C1 Amb18197087 [0,1,0,1,0,0|2,0,0]=4 2140 B14R2.19 ClC1CCC(Cc2ccccc2)C1 Amb27443400 [0,1,0,1,0,0|2,0,0]=4 2141 B14R2.19 NC1CCC(Cc2ccccc2)C1 Amb25337996 [0,1,0,1,0,0|2,0,0]=4 2142 B14R2.19 NC1COC(Cc2ccccc2)C1 Amb35593782 [0,1,0,1,0,0|1,0,0]=3 2143 B14R2.19 O=C1CCC(Cc2ccccc2)O1 Amb20669272 [0,1,0,1,0,0|1,0,1]=4 2144 B14R2.19 O=C1COC(Cc2ccccc2)C1 Amb35718934 [0,1,0,1,0,0|1,0,1]=4 2145 B14R2.19 OC1CCC(Cc2ccccc2)C1 Amb27664443 [0,1,0,1,0,0|2,0,0]=4 2146 B14R2.19 OC1CCN(Cc2ccccc2)O1 Amb27753044 [0,1,0,1,0,0|2,0,0]=4 2147 B14R2.19 OC1CNC(Cc2ccccc2)C1 Amb23454017 [0,1,0,1,0,0|2,0,0]=4 2148 B14R2.19 OC1CON(Cc2ccccc2)C1 Amb27865940 [0,1,0,1,0,0|2,0,0]=4 2149 B14R2.30 BrC1COCC1Cc2ccccc2 Amb29877885 [0,1,0,1,0,0|2,0,0]=4 2150 B14R2.30 CC1CCN[C@H]1Cc2ccccc2 Amb27947239 [0,1,0,1,0,0|2,0,0]=4 2151 B14R2.30 CC1CNCC1Cc2ccccc2 Amb28056531 [0,1,0,1,0,0|2,0,0]=4 2152 B14R2.30 CC1COCC1Nc2ccccc2 Amb35590885 [0,1,0,1,0,0|2,0,0]=4 2153 B14R2.30 CC1NCCC1Cc2ccccc2 Amb18960801 [0,1,0,1,0,0|2,0,0]=4 2154 B14R2.30 C[C@@H]1CCN[C@H]1Cc2ccccc2 Amb18197090 [0,1,0,1,0,0|2,0,0]=4 2155 B14R2.30 C[C@@H]1CNC[C@H]1Cc2ccccc2 Amb33191275 [0,1,0,1,0,0|2,0,0]=4 2156 B14R2.30 C[C@H]1CCN[C@@H]1Cc2ccccc2 Amb27624379 [0,1,0,1,0,0|2,0,0]=4 2157 B14R2.30 ClC1CCOC1Oc2ccccc2 Amb27632462 [0,1,0,1,0,0|2,0,0]=4 2158 B14R2.30 ClC1COCC1Cc2ccccc2 Amb29877819 [0,1,0,1,0,0|2,0,0]=4 2159 B14R2.30 FC1CCNC1Cc2ccccc2 Amb27224993 [0,1,0,1,0,0|2,0,0]=4 2160 B14R2.30 NC1CCCC1Cc2ccccc2 Amb18284144 [0,1,0,1,0,0|2,0,0]=4 2161 B14R2.30 NC1CCN[C@@H]1Cc2ccccc2 Amb18196512 [0,1,0,1,0,0|2,0,0]=4 2162 B14R2.30 NC1CCOC1Cc2ccccc2 Amb28349412 [0,1,0,1,0,0|1,0,0]=3 2163 B14R2.30 NC1COCC1Cc2ccccc2 Amb29866236 [0,1,0,1,0,0|2,0,0]=4 2164 B14R2.30 NN1CCCC1Cc2ccccc2 Amb25135272 [0,1,0,1,0,0|2,0,0]=4 2165 B14R2.30 N[C@H]1CCC[C@H]1Cc2ccccc2 Amb27244825 [0,1,0,1,0,0|2,0,0]=4 2166 B14R2.30 O=C1CCCC1Cc2ccccc2 Amb3994669 [0,1,0,1,0,0|2,0,0]=4 2167 B14R2.30 O=C1CCNC1Cc2ccccc2 Amb27863834 [0,1,0,1,0,0|2,0,0]=4 2168 B14R2.30 O=C1CCN[C@@H]1Cc2ccccc2 Amb18197192 [0,1,0,1,0,0|2,0,0]=4 2169 B14R2.30 O=C1CCOC1Cc2ccccc2 Amb27802566 [0,1,0,1,0,0|1,0,0]=3 2170 B14R2.30 O=C1COCC1Cc2ccccc2 Amb27599380 [0,1,0,1,0,0|2,0,0]=4 2171 B14R2.30 OC1CCCC1Cc2ccccc2 Amb18808902 [0,1,0,1,0,0|2,0,0]=4 2172 B14R2.30 OC1CCC[C@@H]1Cc2ccccc2 Amb27260244 [0,1,0,1,0,0|2,0,0]=4 2173 B14R2.30 OC1CCNC1Cc2ccccc2 Amb32410236 [0,1,0,1,0,0|2,0,0]=4 2174 B14R2.30 OC1CCN[C@@H]1Cc2ccccc2 Amb18195900 [0,1,0,1,0,0|2,0,0]=4 2175 B14R2.30 OC1CCN[C@H]1Cc2ccccc2 Amb24489269 [0,1,0,1,0,0|2,0,0]=4 2176 B14R2.30 OC1CCOC1Cc2ccccc2 Amb27179516 [0,1,0,1,0,0|1,0,0]=3 2177 B14R2.30 OC1COCC1Cc2ccccc2 Amb28061951 [0,1,0,1,0,0|2,0,0]=4 2178 B14R2.30 O[C@@H]1CCC[C@@H]1Cc2ccccc2 Amb27452089 [0,1,0,1,0,0|2,0,0]=4 2179 B14R2.30 O[C@@H]1CCC[C@H]1Cc2ccccc2 Amb26905499 [0,1,0,1,0,0|2,0,0]=4 2180 B14R2.30 O[C@@H]1COC[C@H]1Cc2ccccc2 Amb26435152 [0,1,0,1,0,0|2,0,0]=4 2181 B14R2.30 O[C@H]1CCN[C@H]1Cc2ccccc2 Amb27966070 [0,1,0,1,0,0|2,0,0]=4 2182 B14R2.30 O[C@H]1COC[C@@H]1Cc2ccccc2 Amb27431379 [0,1,0,1,0,0|2,0,0]=4 2183 B14R2.44 CC1c2ccccc2CC1CCN Amb35671954 [0,1,0,1,0,0|2,0,0]=4 2184 B14R2.44 CCNC1Cc2ccccc2C1C Amb29855875 [0,1,0,1,0,0|2,0,0]=4 2185 B14R2.44 CCOC1Cc2ccccc2C1O Amb18809063 [0,1,0,1,0,0|2,0,0]=4 2186 B14R2.44 CN1c2ccccc2CC1CCN Amb27438543 [0,1,0,1,0,0|2,0,0]=4 2187 B14R2.44 CNCC1Cc2ccccc2C1C Amb18127536 [0,1,0,1,0,0|2,0,0]=4 2188 B14R2.44 COCC1Cc2ccccc2C1=O Amb28058825 [0,1,0,1,0,0|2,0,0]=4 2189 B14R2.44 CONC1Cc2ccccc2C1C Amb29855876 [0,1,0,1,0,0|1,0,0]=3 2190 B14R2.44 CONC1Cc2ccccc2C1O Amb28064973 [0,1,0,1,0,0|2,0,0]=4 2191 B14R2.112 CCCC1Nc2ccccc2CO1 Amb27848045 [0,1,0,1,0,0|2,0,0]=4 2192 B14R2.112 CCNC1CCc2ccccc2C1 Amb9777189 [0,1,0,1,0,0|2,0,0]=4 2193 B14R2.112 CCOC1CCc2ccccc2C1 Amb24528095 [0,1,0,1,0,0|1,0,0]=3 2194 B14R2.112 CCOC1CCc2ccccc2O1 Amb21963389 [0,1,0,1,0,0|2,0,0]=4 2195 B14R2.112 CNCC1CCc2ccccc2C1 Amb28241037 [0,1,0,1,0,0|2,0,0]=4 2196 B14R2.112 CNCC1Cc2ccccc2CN1 Amb18951419 [0,1,0,1,0,0|2,0,0]=4 2197 B14R2.112 CNCC1Cc2ccccc2CO1 Amb22642213 [0,1,0,1,0,0|1,0,0]=3 2198 B14R2.112 CNCC1Cc2ccccc2CO1 Amb28991373 [0,1,0,1,0,0|1,0,0]=3 2199 B14R2.112 CNC[C@H]1Cc2ccccc2CN1 Amb27588383 [0,1,0,1,0,0|2,0,0]=4 2200 B14R2.112 COCC1Cc2ccccc2CN1 Amb28048898 [0,1,0,1,0,0|1,0,0]=3 2201 B14R2.112 COC[C@@H]1Cc2ccccc2CN1 Amb27265900 [0,1,0,1,0,0|1,0,0]=3 2202 B14R2.112 CONC1CCc2ncccc2C1 Amb35610625 [0,1,0,1,0,0|2,0,0]=4 2203 B14R2.112 CO\N=C1\CCc2ccccc2C1 Amb27805946 [0,1,0,1,0,0|1,0,1]=4 2204 B14R2.112 NCCC1CCc2ccccc2C1 Amb18956333 [0,1,0,1,0,0|2,0,0]=4 2205 B14R2.112 NCCC1CCc2ccccc2C1 Amb33734648 [0,1,0,1,0,0|2,0,0]=4 2206 B14R2.112 OCCC1Cc2ccccc2CN1 Amb18127997 [0,1,0,1,0,0|2,0,0]=4 2207 B14R2.112 OCCN1Cc2ccccc2CO1 Amb27841904 [0,1,0,1,0,0|2,0,0]=4 2208 B14R2.112 OCC[C@@H]1Cc2ccccc2CN1 Amb33483152 [0,1,0,1,0,0|2,0,0]=4 2209 B14R2.143 CC[C@H]1Cc2ccccc2CCN1 Amb28141852 [0,1,0,1,0,0|2,0,0]=4 2210 B14R2.143 CNC1CCOc2ccccc2C1 Amb27606494 [0,1,0,1,0,0|2,0,0]=4 2211 B14R2.825 COCC1(Nc2ccccc2)CC1 Amb22749088 [0,1,0,1,0,0|2,0,0]=4 2212 B14R2.825 NCCC1(Cc2ccccc2)CC1 Amb18197084 [0,1,0,1,0,0|2,0,0]=4 2213 B14R2.825 NOCC1(Cc2ccccc2)CC1 Amb32953165 [0,1,0,1,0,0|2,0,0]=4 2214 B14R2.1129 CCC1Cc2ccccc2C1NC Amb18958578 [0,1,0,1,0,0|2,0,0]=4 2215 B14R2.2972 COC1(Cc2ccccc2)CNC1 Amb32953170 [0,1,0,1,0,0|1,0,0]=3 2216 B14R2.2972 COC1(Cc2ccccn2)CNC1 Amb33360484 [0,1,0,1,0,0|2,0,0]=4 2217 B14R2.2972 COC1(Cc2cccnc2)CNC1 Amb33360049 [0,1,0,1,0,0|2,0,0]=4 2218 B14R2.2972 COC1(Cc2ccncc2)CNC1 Amb33380639 [0,1,0,1,0,0|2,0,0]=4 2219 B14R2.2972 OCC1(Cc2ccccc2)COC1 Amb27651705 [0,1,0,1,0,0|2,0,0]=4 2220 B14R2.15 CCC1C(=O)CC1c2ccccc2 Amb27608698 [0,1,0,1,0,0|2,0,0]=4 2221 B14R2.15 CCC1C(N)CC1c2ccccc2 Amb28136235 [0,1,0,1,0,0|2,0,0]=4 2222 B14R2.114 CC(c1ccccc1)C2CCCN2 Amb23536676 [0,1,0,1,0,0|2,0,0]=4 2223 B14R2.114 CC(c1ccccc1)C2NCCS2 Amb18321178 [0,1,0,1,0,0|1,1,0]=4 2224 B14R2.114 CC(c1ccccc1)C2OCCO2 Amb575774 [0,1,0,1,0,0|0,0,0]=2 2225 B14R2.114 CC(c1ccccc1)N2CCCO2 Amb28324710 [0,1,0,1,0,0|2,0,0]=4 2226 B14R2.114 ClC(B1OCCO1)c2ccccc2 Amb28250924 [0,1,0,1,0,0|1,0,0]=3 2227 B14R2.114 ClC(c1ccccn1)C2CCCO2 Amb27955987 [0,1,0,1,0,0|2,0,0]=4 2228 B14R2.114 NC(c1ccccc1)C2CCCC2 Amb33548092 [0,1,0,1,0,0|2,0,0]=4 2229 B14R2.114 NC(c1ccccc1)C2CCCC2 Amb9717938 [0,1,0,1,0,0|2,0,0]=4 2230 B14R2.114 NC(c1ccccc1)C2CCCO2 Amb10609099 [0,1,0,1,0,0|1,0,0]=3 2231 B14R2.114 NC(c1ccccc1)C2CCCO2 Amb9717761 [0,1,0,1,0,0|1,0,0]=3 2232 B14R2.114 N[C@H](c1ccccc1)C2CCCC2 Amb27788456 [0,1,0,1,0,0|2,0,0]=4 2233 B14R2.114 O=C(c1ccccc1)C2CCCO2 Amb8850443 [0,1,0,1,0,0|1,0,1]=4 2234 B14R2.114 O=C(c1ccccc1)C2OCCO2 Amb28046862 [0,1,0,1,0,0|0,0,1]=3 2235 B14R2.114 OC(C1=CCCO1)c2ccccc2 Amb28281111 [0,1,0,1,0,0|1,0,1]=4 2236 B14R2.114 OC(c1ccccc1)C2CCCC2 Amb17138792 [0,1,0,1,0,0|2,0,0]=4 2237 B14R2.114 OC(c1ccccc1)C2CCCN2 Amb17138819 [0,1,0,1,0,0|2,0,0]=4 2238 B14R2.114 OC(c1ccccc1)C2CCCN2 Amb33545282 [0,1,0,1,0,0|2,0,0]=4 2239 B14R2.114 OC(c1ccccc1)C2COCO2 Amb28185143 [0,1,0,1,0,0|2,0,0]=4 2240 B14R2.114 OC(c1ccccc1)[C@@H]2CCCN2 Amb27608662 [0,1,0,1,0,0|2,0,0]=4 2241 B14R2.114 OC(c1ccccn1)C2CCCO2 Amb28190198 [0,1,0,1,0,0|2,0,0]=4 2242 B14R2.114 O[C@@H](c1ccccc1)[C@@H]2CCCN2 Amb27244166 [0,1,0,1,0,0|2,0,0]=4 2243 B14R2.114 O[C@@H](c1ccccc1)[C@H]2CCCN2 Amb25238672 [0,1,0,1,0,0|2,0,0]=4 2244 B14R2.114 O[C@@H](c1ccccc1)[C@H]2CCCN2 Amb32667633 [0,1,0,1,0,0|2,0,0]=4 2245 B14R2.114 O[C@H](c1ccccc1)[C@@H]2CCCN2 Amb25294762 [0,1,0,1,0,0|2,0,0]=4 2246 B14R2.114 O[C@H](c1ccccc1)[C@@H]2CCCN2 Amb32667652 [0,1,0,1,0,0|2,0,0]=4 2247 B14R2.335 O=C1COC1C(Cl)c2ccccc2 Amb28143592 [0,1,0,1,0,0|2,0,0]=4 2248 B14R2.335 O=C1CO[C@H]1[C@H](O)c2ccccc2 Amb27472644 [0,1,0,1,0,0|2,0,0]=4 2249 B14R2.3469 CNC1(C(C)c2ccccc2)CC1 Amb33081911 [0,1,0,1,0,0|2,0,0]=4 2250 B14R2.3469 CSC1(C(O)c2ccccc2)CC1 Amb27768957 [0,1,0,1,0,0|1,1,0]=4 2251 B14R2.3469 C[C@@H](c1ccccc1)[C@@]2(C=O)CO2 Amb28052339 [0,1,0,1,0,0|2,0,0]=4 2252 B14R2.3469 C[C@H](c1ccccc1)[C@]2(CO)CO2 Amb27423201 [0,1,0,1,0,0|2,0,0]=4 2253 B14R2.3469 OC[C@@]1([C@H](O)c2ccccc2)CO1 Amb27184383 [0,1,0,1,0,0|2,0,0]=4 2254 B14R2.72 Brc1ccc(CC2CCCN2)cc1 Amb31197140 [0,1,0,1,0,0|2,0,0]=4 2255 B14R2.72 Brc1ccc(CC2CCCN2)cc1 Amb3790656 [0,1,0,1,0,0|2,0,0]=4 2256 B14R2.72 Brc1ccc(CC2OCCO2)cc1 Amb6306162 [0,1,0,1,0,0|0,0,0]=2 2257 B14R2.72 Brc1ccc(C[C@@H]2CCCN2)cc1 Amb25073495 [0,1,0,1,0,0|2,0,0]=4 2258 B14R2.72 Brc1ccc(C[C@H]2CCCN2)cc1 Amb27406964 [0,1,0,1,0,0|2,0,0]=4 2259 B14R2.72 Cc1ccc(CC2CCCN2)cc1 Amb2234679 [0,1,0,1,0,0|2,0,0]=4 2260 B14R2.72 Cc1ccc(C[C@@H]2CCCN2)cc1 Amb27156494 [0,1,0,1,0,0|2,0,0]=4 2261 B14R2.72 Cc1ccc(C[C@H]2CCCN2)cc1 Amb24355310 [0,1,0,1,0,0|2,0,0]=4 2262 B14R2.72 Clc1ccc(CC2CCCN2)cc1 Amb9730523 [0,1,0,1,0,0|2,0,0]=4 2263 B14R2.72 Clc1ccc(C[C@@H]2CCCN2)cc1 Amb27849881 [0,1,0,1,0,0|2,0,0]=4 2264 B14R2.72 Clc1ccc(NC2CCCO2)cc1 Amb27590267 [0,1,0,1,0,0|2,0,0]=4 2265 B14R2.72 Clc1ccc(OP2OCCO2)cc1 Amb24342445 [0,1,0,1,0,0|2,0,0]=4 2266 B14R2.72 Fc1ccc(CC2CCCN2)cc1 Amb20623794 [0,1,0,1,0,0|2,0,0]=4 2267 B14R2.72 Fc1ccc(CC2CCCN2)cc1 Amb2235502 [0,1,0,1,0,0|2,0,0]=4 2268 B14R2.72 Fc1ccc(CN2CCCO2)cc1 Amb27977474 [0,1,0,1,0,0|2,0,0]=4 2269 B14R2.72 Fc1ccc(C[C@@H]2CCCN2)cc1 Amb27393038 [0,1,0,1,0,0|2,0,0]=4 2270 B14R2.72 Fc1ccc(C[C@H]2CCCN2)cc1 Amb27486203 [0,1,0,1,0,0|2,0,0]=4 2271 B14R2.72 Fc1ccc(SC2CCCO2)cc1 Amb28189966 [0,1,0,1,0,0|2,0,0]=4 2272 B14R2.72 Nc1ccc(CC2CCCC2)cc1 Amb18563266 [0,1,0,1,0,0|2,0,0]=4 2273 B14R2.72 Nc1ccc(CC2CCCN2)cc1 Amb18064900 [0,1,0,1,0,0|2,0,0]=4 2274 B14R2.72 Nc1ccc(CC2CCCO2)cc1 Amb18195871 [0,1,0,1,0,0|1,0,0]=3 2275 B14R2.72 Nc1ccc(CN2CCCO2)cc1 Amb27753825 [0,1,0,1,0,0|2,0,0]=4 2276 B14R2.72 Nc1cnc(CC2OCCO2)cn1 Amb27230072 [0,1,0,1,0,0|2,0,0]=4 2277 B14R2.72 Oc1ccc(CC2CCCC2)cc1 Amb18563268 [0,1,0,1,0,0|2,0,0]=4 2278 B14R2.72 Oc1ccc(CC2CCCN2)cc1 Amb18062877 [0,1,0,1,0,0|2,0,0]=4 2279 B14R2.72 Oc1ccc(SC2CCCO2)cc1 Amb28048047 [0,1,0,1,0,0|2,0,0]=4 2280 B14R2.158 CNC1(Cc2ccc(Br)cc2)CC1 Amb33451900 [0,1,0,1,0,0|2,0,0]=4 2281 B14R2.158 CNC1(Cc2ccc(C)cc2)CC1 Amb25096420 [0,1,0,1,0,0|2,0,0]=4 2282 B14R2.158 CNC1(Cc2ccc(Cl)cc2)CC1 Amb25040663 [0,1,0,1,0,0|2,0,0]=4 2283 B14R2.158 CNC1(Cc2ccc(F)cc2)CC1 Amb33375943 [0,1,0,1,0,0|2,0,0]=4 2284 B14R2.158 CNC1(Cc2ccc(O)cc2)CC1 Amb33268371 [0,1,0,1,0,0|2,0,0]=4 2285 B14R2.158 Cc1ccc(CC2(C=O)CO2)cc1 Amb27858068 [0,1,0,1,0,0|2,0,0]=4 2286 B14R2.158 Cc1ccc(C[C@@]2(CO)CO2)cc1 Amb28350390 [0,1,0,1,0,0|2,0,0]=4 2287 B14R2.158 O=C[C@]1(Cc2ccc(Cl)cc2)CO1 Amb28345068 [0,1,0,1,0,0|2,0,0]=4 2288 B14R2.158 OCC1(Cc2ccc(Cl)cc2)CO1 Amb27829872 [0,1,0,1,0,0|2,0,0]=4 2289 B14R2.158 OC[C@]1(Cc2ccc(Cl)cc2)CO1 Amb28321507 [0,1,0,1,0,0|2,0,0]=4 2290 B14R2.174 CO[C@@H]1[C@H](c2ccc(O)cc2)[C@H]1C Amb27640660 [0,1,0,1,0,0|1,0,0]=3 2291 B14R2.2332 CCC1Cc2ccc(I)cc2CN1 Amb28287227 [0,1,0,1,0,0|2,0,0]=4 2292 B14R2.2332 CNC1CCc2cc(Br)ccc2C1 Amb28317882 [0,1,0,1,0,0|2,0,0]=4 2293 B14R2.2332 CNC1CCc2cc(Br)ccc2C1 Amb33803491 [0,1,0,1,0,0|2,0,0]=4 2294 B14R2.2332 CNC1CCc2cc(F)ccc2C1 Amb27636706 [0,1,0,1,0,0|2,0,0]=4 2295 B14R2.2332 Nc1ccc2c(c1)COC(CO)C2 Amb27777486 [0,1,0,1,0,0|2,0,0]=4 2296 B14R2.134 CCC1CCc2ccc(O)cc2C1 Amb27587319 [0,1,0,1,0,0|2,0,0]=4 2297 B14R2.716 Brc1cccc(CC2CCCN2)c1 Amb17255078 [0,1,0,1,0,0|2,0,0]=4 2298 B14R2.716 Brc1cccc(CC2CCCN2)c1 Amb28555875 [0,1,0,1,0,0|2,0,0]=4 2299 B14R2.716 Cc1cccc(CC2CCCN2)c1 Amb2234808 [0,1,0,1,0,0|2,0,0]=4 2300 B14R2.716 Cc1cccc(CN2CCCO2)c1 Amb27407550 [0,1,0,1,0,0|2,0,0]=4 2301 B14R2.716 Cc1cccc(C[C@@H]2CCCN2)c1 Amb33191269 [0,1,0,1,0,0|2,0,0]=4 2302 B14R2.716 Cc1cccc(C[C@H]2CCCN2)c1 Amb33191260 [0,1,0,1,0,0|2,0,0]=4 2303 B14R2.716 Clc1cccc(CC2CCCN2)c1 Amb2234806 [0,1,0,1,0,0|2,0,0]=4 2304 B14R2.716 Clc1cccc(CC2OCCO2)c1 Amb6306163 [0,1,0,1,0,0|0,0,0]=2 2305 B14R2.716 Clc1cccc(CN2CCCO2)c1 Amb27774660 [0,1,0,1,0,0|2,0,0]=4 2306 B14R2.716 Fc1cccc(CC2CCCN2)c1 Amb10205345 [0,1,0,1,0,0|2,0,0]=4 2307 B14R2.716 Fc1cccc(CC2CCCN2)c1 Amb6244787 [0,1,0,1,0,0|2,0,0]=4 2308 B14R2.716 Fc1cccc(CN2CCCO2)c1 Amb27763552 [0,1,0,1,0,0|2,0,0]=4 2309 B14R2.716 Nc1cccc(CC2CCCC2)c1 Amb18563272 [0,1,0,1,0,0|2,0,0]=4 2310 B14R2.716 Nc1cccc(CC2CCCO2)c1 Amb18195957 [0,1,0,1,0,0|1,0,0]=3 2311 B14R2.716 Nc1cccc(CN2CCCO2)c1 Amb27643225 [0,1,0,1,0,0|2,0,0]=4 2312 B14R2.716 Oc1cccc(CC2CCCC2)c1 Amb18563274 [0,1,0,1,0,0|2,0,0]=4 2313 B14R2.716 Oc1cccc(CC2CCCN2)c1 Amb18062876 [0,1,0,1,0,0|2,0,0]=4 2314 B14R2.716 Oc1cccc(CN2CCCO2)c1 Amb28043880 [0,1,0,1,0,0|2,0,0]=4 2315 B14R2.1801 CCC1CCc2c(O)cccc2C1 Amb25713636 [0,1,0,1,0,0|2,0,0]=4 2316 B14R2.3491 CNC1(Cc2cccc(Br)c2)CC1 Amb33451899 [0,1,0,1,0,0|2,0,0]=4 2317 B14R2.3491 CNC1(Cc2cccc(C)c2)CC1 Amb24444326 [0,1,0,1,0,0|2,0,0]=4 2318 B14R2.3491 CNC1(Cc2cccc(Cl)c2)CC1 Amb25742951 [0,1,0,1,0,0|2,0,0]=4 2319 B14R2.3491 CNC1(Cc2cccc(F)c2)CC1 Amb33203778 [0,1,0,1,0,0|2,0,0]=4 2320 B14R2.3491 CNC1(Cc2cccc(O)c2)CC1 Amb33310865 [0,1,0,1,0,0|2,0,0]=4 2321 B14R2.50 Brc1ccccc1CC2CCCN2 Amb18156960 [0,1,0,1,0,0|2,0,0]=4 2322 B14R2.50 Brc1ccccc1CC2CCCN2 Amb32663787 [0,1,0,1,0,0|2,0,0]=4 2323 B14R2.50 Cc1ccccc1CC2CCCN2 Amb9713268 [0,1,0,1,0,0|2,0,0]=4 2324 B14R2.50 Cc1ccccc1CC2OCCO2 Amb6306192 [0,1,0,1,0,0|0,0,0]=2 2325 B14R2.50 Cc1ccccc1C[C@@H]2CCCN2 Amb33191267 [0,1,0,1,0,0|2,0,0]=4 2326 B14R2.50 Cc1ccccc1C[C@H]2CCCN2 Amb33191258 [0,1,0,1,0,0|2,0,0]=4 2327 B14R2.50 Clc1ccccc1CC2CCCN2 Amb2235504 [0,1,0,1,0,0|2,0,0]=4 2328 B14R2.50 Clc1ccccc1CC2CCCN2 Amb9714261 [0,1,0,1,0,0|2,0,0]=4 2329 B14R2.50 Clc1ccccc1CC2OCCO2 Amb3938930 [0,1,0,1,0,0|0,0,0]=2 2330 B14R2.50 Clc1ccccc1CN2CCCO2 Amb27255169 [0,1,0,1,0,0|2,0,0]=4 2331 B14R2.50 Fc1ccccc1CC2CCCN2 Amb9711526 [0,1,0,1,0,0|2,0,0]=4 2332 B14R2.50 Fc1ccccc1CC2OCCO2 Amb6306185 [0,1,0,1,0,0|0,0,0]=2 2333 B14R2.50 Nc1ccccc1CC2CCCN2 Amb18064662 [0,1,0,1,0,0|2,0,0]=4 2334 B14R2.50 Nc1ccccc1CC2CCCO2 Amb18195956 [0,1,0,1,0,0|1,0,0]=3 2335 B14R2.50 O=C1C=CC=CN1CC2CCCO2 Amb28347410 [0,1,0,1,0,0|2,0,0]=4 2336 B14R2.50 O=C1C=CN=CN1CC2OCCO2 Amb27748986 [0,1,0,1,0,0|2,0,0]=4 2337 B14R2.50 Oc1ccccc1CC2CCCN2 Amb18062875 [0,1,0,1,0,0|2,0,0]=4 2338 B14R2.142 CCC1Cc2c(Br)cccc2CN1 Amb27875988 [0,1,0,1,0,0|2,0,0]=4 2339 B14R2.142 CCC1Cc2c(Br)cccc2CN1 Amb28600325 [0,1,0,1,0,0|2,0,0]=4 2340 B14R2.142 CCC1Cc2c(C)cccc2CN1 Amb18280059 [0,1,0,1,0,0|2,0,0]=4 2341 B14R2.142 CNC1CCc2cccc(F)c2C1 Amb28428681 [0,1,0,1,0,0|2,0,0]=4 2342 B14R2.1128 CN[C@@H]1Cc2ccccc2C[C@@H]1O Amb27848968 [0,1,0,1,0,0|2,0,0]=4 2343 B14R2.1128 CN[C@@H]1Cc2ccccc2C[C@H]1O Amb28052175 [0,1,0,1,0,0|2,0,0]=4 2344 B14R2.1128 CN[C@H]1Cc2ccccc2O[C@H]1C Amb27476224 [0,1,0,1,0,0|2,0,0]=4 2345 B14R2.1128 COC1Cc2ccccc2CC1O Amb27415108 [0,1,0,1,0,0|1,0,0]=3 2346 B14R2.1128 COC1Cc2ccccc2NC1C Amb24468004 [0,1,0,1,0,0|1,0,0]=3 2347 B14R2.1128 COC1Cc2ccccc2NC1C Amb28600425 [0,1,0,1,0,0|1,0,0]=3 2348 B14R2.1128 CO[C@H]1Cc2ccccc2N[C@H]1C Amb27464377 [0,1,0,1,0,0|1,0,0]=3 2349 B14R2.1128 CO[C@H]1Oc2ccccc2C[C@@H]1Cl Amb27791806 [0,1,0,1,0,0|2,0,0]=4 2350 B14R2.1128 CO[C@H]1Oc2ccccc2C[C@H]1Cl Amb28325660 [0,1,0,1,0,0|2,0,0]=4 2351 B14R2.3429 CNC1(Cc2ccccc2Br)CC1 Amb26974901 [0,1,0,1,0,0|2,0,0]=4 2352 B14R2.3429 CNC1(Cc2ccccc2C)CC1 Amb25055703 [0,1,0,1,0,0|2,0,0]=4 2353 B14R2.3429 CNC1(Cc2ccccc2Cl)CC1 Amb27841418 [0,1,0,1,0,0|2,0,0]=4 2354 B14R2.3429 CNC1(Cc2ccccc2F)CC1 Amb33361196 [0,1,0,1,0,0|2,0,0]=4 2355 B14R2.3429 CNC1(Cc2ccccc2O)CC1 Amb25118128 [0,1,0,1,0,0|2,0,0]=4 2356 B14R2.3429 O=CC1(Cc2ccccc2Cl)CO1 Amb27174913 [0,1,0,1,0,0|2,0,0]=4 2357 B14R2.3429 O=C[C@]1(Cc2ccccc2Cl)CO1 Amb28070097 [0,1,0,1,0,0|2,0,0]=4 2358 B14R2.3514 CCC1(CC)Cc2ccccc2N1 Amb24398804 [0,1,0,1,0,0|2,0,0]=4 2359 B14R2.3514 COC1(C=O)Cc2ccccc2C1 Amb28239911 [0,1,0,1,0,0|2,0,0]=4 2360 B14R2.3514 COC1(OC)Cc2ccccc2C1 Amb25244290 [0,1,0,1,0,0|0,0,0]=2 2361 B14R2.3514 CO[Si]1(OC)Cc2ccccc2C1 Amb27450908 [0,1,0,1,0,0|0,1,0]=3 2362 B14R2.450 CC(Br)C1Cc2ccccc2C1C Amb29887236 [0,1,0,1,0,0|2,0,0]=4 2363 B14R2.450 CC(Cl)C1Cc2ccccc2C1C Amb29887235 [0,1,0,1,0,0|2,0,0]=4 2364 B14R2.450 CC(N)C1Cc2ccccc2C1C Amb35722522 [0,1,0,1,0,0|2,0,0]=4 2365 B14R2.450 CC(O)C1Cc2ccccc2C1C Amb35629759 [0,1,0,1,0,0|2,0,0]=4 2366 B14R2.780 CC(=O)[C@H]1CC[C@@H]1c2ccccc2 Amb27427949 [0,1,0,1,0,0|2,0,0]=4 2367 B14R2.781 CC(Br)C1CCc2ccccc2C1 Amb27757460 [0,1,0,1,0,0|2,0,0]=4 2368 B14R2.781 CC(C)[C@H]1Cc2ccccc2CN1 Amb27848046 [0,1,0,1,0,0|2,0,0]=4 2369 B14R2.781 CC(N)C1CCc2ccccc2C1 Amb26959938 [0,1,0,1,0,0|2,0,0]=4 2370 B14R2.781 CC(N)[C@@H]1Cc2ccccc2CN1 Amb27649241 [0,1,0,1,0,0|2,0,0]=4 2371 B14R2.781 CC(O)C1Cc2ccccc2CN1 Amb29874950 [0,1,0,1,0,0|2,0,0]=4 2372 B14R2.781 CN(C)C1CCc2ccccc2C1 Amb26304288 [0,1,0,1,0,0|2,0,0]=4 2373 B14R2.781 CN(C)C1CCc2ccccc2C1 Amb31271834 [0,1,0,1,0,0|2,0,0]=4 2374 B14R2.781 C[C@@H](N)C1CCc2ccccc2C1 Amb24404256 [0,1,0,1,0,0|2,0,0]=4 2375 B14R2.781 C[C@H](N)C1CCc2ccccc2C1 Amb26942293 [0,1,0,1,0,0|2,0,0]=4 2376 B14R2.781 C[C@H](O)C1CCc2ccccc2C1 Amb27978704 [0,1,0,1,0,0|2,0,0]=4 2377 B14R2.781 NC(=O)C1Cc2ccccc2CO1 Amb22643156 [0,1,0,1,0,0|2,0,0]=4 2378 B14R2.781 NC(=O)[C@@H]1Cc2ccccc2CO1 Amb32668349 [0,1,0,1,0,0|2,0,0]=4 2379 B14R2.781 O=C(Cl)C1Cc2ccccc2CO1 Amb28243693 [0,1,0,1,0,0|2,0,0]=4 2380 B14R2.781 O=C(O)C1Cc2ccccc2CO1 Amb22642211 [0,1,0,1,0,0|2,0,0]=4 2381 B14R2.781 O=C(O)[C@@H]1Cc2ccccc2CO1 Amb24365966 [0,1,0,1,0,0|2,0,0]=4 2382 B14R2.788 CC(=O)C1(Cc2ccccc2)CC1 Amb18560528 [0,1,0,1,0,0|2,0,0]=4 2383 B14R2.788 CC(Br)C1(Cc2ccccc2)CC1 Amb27234238 [0,1,0,1,0,0|2,0,0]=4 2384 B14R2.788 CC(N)C1(Cc2ccccc2)CC1 Amb18065575 [0,1,0,1,0,0|2,0,0]=4 2385 B14R2.788 CC(O)C1(Cc2ccccc2)CC1 Amb28128764 [0,1,0,1,0,0|2,0,0]=4 2386 B14R2.788 O=C(O)[C@@]1(Cc2ccccc2)CO1 Amb28129276 [0,1,0,1,0,0|2,0,0]=4 2387 B14R2.1109 COC1Nc2ccccc2C1(C)O Amb27264450 [0,1,0,1,0,0|2,0,0]=4 2388 B14R2.14484 COC1(C(=O)Cl)Cc2ccccc21 Amb27247925 [0,1,0,1,0,0|2,0,0]=4 2389 B14R2.411 CC1(Cc2ccccc2)CCCN1 Amb24451316 [0,1,0,1,0,0|2,0,0]=4 2390 B14R2.411 CC1(Cc2ccccc2)CCCN1 Amb32835855 [0,1,0,1,0,0|2,0,0]=4 2391 B14R2.411 CC1(Cc2ccccc2)NCCS1 Amb26847865 [0,1,0,1,0,0|1,1,0]=4 2392 B14R2.411 FC1(Cc2ccccc2)CCCC1 Amb27816851 [0,1,0,1,0,0|2,0,0]=4 2393 B14R2.411 NC1(Cc2ccccc2)CCCC1 Amb32990145 [0,1,0,1,0,0|2,0,0]=4 2394 B14R2.411 NC1(Cc2ccccc2)CCCC1 Amb5737622 [0,1,0,1,0,0|2,0,0]=4 2395 B14R2.411 OC1(Cc2ccccc2)CCCC1 Amb9675988 [0,1,0,1,0,0|2,0,0]=4 2396 B14R2.2973 CCC1(O)CCc2ccccc2C1 Amb18180606 [0,1,0,1,0,0|2,0,0]=4 2397 B14R2.2973 COP1(=S)OCc2ccccc2O1 Amb22731583 [0,1,0,1,0,0|2,0,0]=4 2398 B14R2.3512 CCC1(O)Cc2ccccc2C1C Amb35629622 [0,1,0,1,0,0|2,0,0]=4 2399 B14R2.3512 COC1(C)Cc2ccccc2C1O Amb28077893 [0,1,0,1,0,0|2,0,0]=4 2400 B14R3.453 CC1c2ccccc2CC13CO3 Amb29887234 [0,0,0,2,0,0|1,0,0]=3 2401 B14R3.14833 c1ccc(C2CCC23CO3)cc1 Amb33748324 [0,0,0,2,0,0|1,0,0]=3 2402 B14R3.55 c1ccc2c(c1)NC3CCC2O3 Amb27224966 [0,0,0,2,0,0|2,0,0]=4 2403 B14R3.11777 c1ccc2c(c1)CC3(CO2)CO3 Amb28342649 [0,0,0,2,0,0|2,0,0]=4 2404 B14R3.11777 c1ccc2c(c1)CCC3(CO3)C2 Amb18797806 [0,0,0,2,0,0|1,0,0]=3 2405 B14R3.11777 c1cnc2c(c1)CC3(CC2)CO3 Amb35610801 [0,0,0,2,0,0|2,0,0]=4 2406 B14R3.48 c1ccc2c(c1)CC23OCCO3 Amb17778801 [0,0,0,2,0,0|0,0,0]=2 2407 B10R1.15 C#CC(C)c1ccccc1 Amb24106607 [1,0,0,0,1,0|1,0,1]=4 2408 B10R1.15 C#CC(O)c1ccccc1 Amb2721623 [1,0,0,0,1,0|1,0,1]=4 2409 B10R1.15 C#C[C@@H](O)c1ccccc1 Amb10844978 [1,0,0,0,1,0|1,0,1]=4 2410 B10R1.15 C#C[C@H](O)c1ccccc1 Amb22360907 [1,0,0,0,1,0|1,0,1]=4 2411 B10R1.15 C=CC(C)c1ccccc1 Amb26460576 [1,0,0,0,1,0|1,0,1]=4 2412 B10R1.15 C=CC(O)c1ccccc1 Amb21520382 [1,0,0,0,1,0|1,0,1]=4 2413 B10R1.15 C=C[C@@H](O)c1ccccc1 Amb22348498 [1,0,0,0,1,0|1,0,1]=4 2414 B10R1.15 CC(C#N)c1ccccc1 Amb2387010 [1,0,0,0,1,0|2,0,0]=4 2415 B10R1.15 CC(C=O)c1ccccc1 Amb2720746 [1,0,0,0,1,0|2,0,0]=4 2416 B10R1.15 CC(CBr)c1ccccc1 Amb3940569 [1,0,0,0,1,0|2,0,0]=4 2417 B10R1.15 CC(CCl)c1ccccc1 Amb17232147 [1,0,0,0,1,0|2,0,0]=4 2418 B10R1.15 CC(CI)c1ccccc1 Amb26629255 [1,0,0,0,1,0|2,0,0]=4 2419 B10R1.15 CC(CN)c1ccccc1 Amb19958781 [1,0,0,0,1,0|2,0,0]=4 2420 B10R1.15 CC(CN)c1ccccc1 Amb5717369 [1,0,0,0,1,0|2,0,0]=4 2421 B10R1.15 CC(CO)c1ccccc1 Amb2720837 [1,0,0,0,1,0|2,0,0]=4 2422 B10R1.15 CC(CS)c1ccccc1 Amb28349926 [1,0,0,0,1,0|2,0,0]=4 2423 B10R1.15 CC(NCl)c1ccccc1 Amb28049660 [1,0,0,0,1,0|2,0,0]=4 2424 B10R1.15 CC(NN)c1ccccc1 Amb10610271 [1,0,0,0,1,0|2,0,0]=4 2425 B10R1.15 CC(NN)c1ccccc1 Amb6251215 [1,0,0,0,1,0|2,0,0]=4 2426 B10R1.15 CC(NO)c1ccccc1 Amb10605006 [1,0,0,0,1,0|2,0,0]=4 2427 B10R1.15 CC(ON)c1ccccc1 Amb17089185 [1,0,0,0,1,0|1,0,0]=3 2428 B10R1.15 CC(ON)c1ccccc1 Amb22491086 [1,0,0,0,1,0|1,0,0]=3 2429 B10R1.15 CC(ON)c1ccccn1 Amb22397048 [1,0,0,0,1,0|2,0,0]=4 2430 B10R1.15 CC(ON)c1cccnc1 Amb31295300 [1,0,0,0,1,0|2,0,0]=4 2431 B10R1.15 CC(ON)c1ccncc1 Amb22397090 [1,0,0,0,1,0|2,0,0]=4 2432 B10R1.15 CCC(Br)c1ccccc1 Amb9210652 [1,0,0,0,1,0|2,0,0]=4 2433 B10R1.15 CCC(C)c1ccccc1 Amb9702788 [1,0,0,0,1,0|1,0,0]=3 2434 B10R1.15 CCC(C)c1ccccn1 Amb28145932 [1,0,0,0,1,0|2,0,0]=4 2435 B10R1.15 CCC(C)c1ccncc1 Amb26842817 [1,0,0,0,1,0|2,0,0]=4 2436 B10R1.15 CCC(Cl)c1ccccc1 Amb7766794 [1,0,0,0,1,0|2,0,0]=4 2437 B10R1.15 CCC(N)c1ccccc1 Amb19959910 [1,0,0,0,1,0|2,0,0]=4 2438 B10R1.15 CCC(N)c1ccccc1 Amb9703596 [1,0,0,0,1,0|2,0,0]=4 2439 B10R1.15 CCC(O)c1ccccc1 Amb6705776 [1,0,0,0,1,0|1,0,0]=3 2440 B10R1.15 CCC(O)c1ccccn1 Amb26851902 [1,0,0,0,1,0|2,0,0]=4 2441 B10R1.15 CCC(O)c1cccnc1 Amb17231904 [1,0,0,0,1,0|2,0,0]=4 2442 B10R1.15 CCC(O)c1ccncc1 Amb16233288 [1,0,0,0,1,0|2,0,0]=4 2443 B10R1.15 CCC(S)c1ccccc1 Amb9208017 [1,0,0,0,1,0|1,1,0]=4 2444 B10R1.15 CC[C@@H](Br)c1ccccc1 Amb27761826 [1,0,0,0,1,0|2,0,0]=4 2445 B10R1.15 CC[C@@H](N)c1ccccc1 Amb22265426 [1,0,0,0,1,0|2,0,0]=4 2446 B10R1.15 CC[C@@H](N)c1ccccc1 Amb8383789 [1,0,0,0,1,0|2,0,0]=4 2447 B10R1.15 CC[C@@H](O)c1ccccc1 Amb8517168 [1,0,0,0,1,0|1,0,0]=3 2448 B10R1.15 CC[C@@H](O)c1ccccn1 Amb25717055 [1,0,0,0,1,0|2,0,0]=4 2449 B10R1.15 CC[C@@H](O)c1cccnc1 Amb27161307 [1,0,0,0,1,0|2,0,0]=4 2450 B10R1.15 CC[C@H](Br)c1ccccc1 Amb27659277 [1,0,0,0,1,0|2,0,0]=4 2451 B10R1.15 CC[C@H](C)c1ccccc1 Amb28326096 [1,0,0,0,1,0|1,0,0]=3 2452 B10R1.15 CC[C@H](C)c1ccccn1 Amb27407415 [1,0,0,0,1,0|2,0,0]=4 2453 B10R1.15 CC[C@H](N)c1ccccc1 Amb22265559 [1,0,0,0,1,0|2,0,0]=4 2454 B10R1.15 CC[C@H](N)c1ccccc1 Amb8628779 [1,0,0,0,1,0|2,0,0]=4 2455 B10R1.15 CC[C@H](O)c1ccccc1 Amb8517167 [1,0,0,0,1,0|1,0,0]=3 2456 B10R1.15 CC[C@H](O)c1ccccn1 Amb25910593 [1,0,0,0,1,0|2,0,0]=4 2457 B10R1.15 CC[C@H](O)c1cccnc1 Amb24432697 [1,0,0,0,1,0|2,0,0]=4 2458 B10R1.15 CC[C@H](O)c1ccncc1 Amb27861997 [1,0,0,0,1,0|2,0,0]=4 2459 B10R1.15 CNC(C)c1ccccc1 Amb6382953 [1,0,0,0,1,0|1,0,0]=3 2460 B10R1.15 CNC(C)c1ccccc1 Amb9745717 [1,0,0,0,1,0|1,0,0]=3 2461 B10R1.15 CNC(C)c1ccccn1 Amb10189608 [1,0,0,0,1,0|2,0,0]=4 2462 B10R1.15 CNC(C)c1ccccn1 Amb22587689 [1,0,0,0,1,0|2,0,0]=4 2463 B10R1.15 CNC(C)c1ccccn1 Amb9705005 [1,0,0,0,1,0|2,0,0]=4 2464 B10R1.15 CNC(C)c1cccnc1 Amb10189690 [1,0,0,0,1,0|2,0,0]=4 2465 B10R1.15 CNC(C)c1cccnc1 Amb1121577 [1,0,0,0,1,0|2,0,0]=4 2466 B10R1.15 CNC(C)c1cccnc1 Amb22587688 [1,0,0,0,1,0|2,0,0]=4 2467 B10R1.15 CNC(C)c1ccncc1 Amb10189609 [1,0,0,0,1,0|2,0,0]=4 2468 B10R1.15 CNC(C)c1ccncc1 Amb22492289 [1,0,0,0,1,0|2,0,0]=4 2469 B10R1.15 CNC(C)c1ccncc1 Amb22587687 [1,0,0,0,1,0|2,0,0]=4 2470 B10R1.15 CNC(C)c1ccncc1 Amb9705906 [1,0,0,0,1,0|2,0,0]=4 2471 B10R1.15 CNN(C)c1ccccc1 Amb27398128 [1,0,0,0,1,0|2,0,0]=4 2472 B10R1.15 CN[C@@H](C)c1ccccc1 Amb17740009 [1,0,0,0,1,0|1,0,0]=3 2473 B10R1.15 CN[C@@H](C)c1ccccn1 Amb24744532 [1,0,0,0,1,0|2,0,0]=4 2474 B10R1.15 CN[C@@H](C)c1ccccn1 Amb33457847 [1,0,0,0,1,0|2,0,0]=4 2475 B10R1.15 CN[C@@H](C)c1cccnc1 Amb27162166 [1,0,0,0,1,0|2,0,0]=4 2476 B10R1.15 CN[C@@H](C)c1cccnc1 Amb33457822 [1,0,0,0,1,0|2,0,0]=4 2477 B10R1.15 CN[C@@H](C)c1ccncc1 Amb28193264 [1,0,0,0,1,0|2,0,0]=4 2478 B10R1.15 CN[C@@H](C)c1ccncc1 Amb33457902 [1,0,0,0,1,0|2,0,0]=4 2479 B10R1.15 CN[C@H](C)c1ccccc1 Amb10844610 [1,0,0,0,1,0|1,0,0]=3 2480 B10R1.15 CN[C@H](C)c1ccccn1 Amb27391593 [1,0,0,0,1,0|2,0,0]=4 2481 B10R1.15 CN[C@H](C)c1cccnc1 Amb25084519 [1,0,0,0,1,0|2,0,0]=4 2482 B10R1.15 CN[C@H](C)c1cccnc1 Amb33328981 [1,0,0,0,1,0|2,0,0]=4 2483 B10R1.15 COC(=N)c1ccccc1 Amb4009954 [1,0,0,0,1,0|1,0,1]=4 2484 B10R1.15 COC(=N)c1ccccc1 Amb6366188 [1,0,0,0,1,0|1,0,1]=4 2485 B10R1.15 COC(=O)c1ccccc1 Amb4302710 [1,0,0,0,1,0|0,0,2]=4 2486 B10R1.15 COC(=S)c1ccccc1 Amb10569749 [1,0,0,0,1,0|0,1,1]=4 2487 B10R1.15 COC(C)c1ccccc1 Amb23568513 [1,0,0,0,1,0|0,0,0]=2 2488 B10R1.15 CON(C)c1ccccn1 Amb27804447 [1,0,0,0,1,0|2,0,0]=4 2489 B10R1.15 COS(=O)c1ccccc1 Amb2689327 [1,0,0,0,1,0|1,0,1]=4 2490 B10R1.15 C[C@@H](C=O)c1ccccc1 Amb24399258 [1,0,0,0,1,0|2,0,0]=4 2491 B10R1.15 C[C@@H](CN)c1ccccc1 Amb33623692 [1,0,0,0,1,0|2,0,0]=4 2492 B10R1.15 C[C@@H](CN)c1ccccc1 Amb4036825 [1,0,0,0,1,0|2,0,0]=4 2493 B10R1.15 C[C@@H](CO)c1ccccc1 Amb3939247 [1,0,0,0,1,0|2,0,0]=4 2494 B10R1.15 C[C@@H](NN)c1ccccc1 Amb25824988 [1,0,0,0,1,0|2,0,0]=4 2495 B10R1.15 C[C@@H](NO)c1ccccc1 Amb20670899 [1,0,0,0,1,0|2,0,0]=4 2496 B10R1.15 C[C@@H](NO)c1ccccc1 Amb22736690 [1,0,0,0,1,0|2,0,0]=4 2497 B10R1.15 C[C@@H](ON)c1ccccc1 Amb25850037 [1,0,0,0,1,0|1,0,0]=3 2498 B10R1.15 C[C@@H](ON)c1ccccc1 Amb32665789 [1,0,0,0,1,0|1,0,0]=3 2499 B10R1.15 C[C@@H](ON)c1ccccn1 Amb33483784 [1,0,0,0,1,0|2,0,0]=4 2500 B10R1.15 C[C@@H](ON)c1ccncc1 Amb33620851 [1,0,0,0,1,0|2,0,0]=4 2501 B10R1.15 C[C@H](C=O)c1ccccc1 Amb24476962 [1,0,0,0,1,0|2,0,0]=4 2502 B10R1.15 C[C@H](CN)c1ccccc1 Amb10070369 [1,0,0,0,1,0|2,0,0]=4 2503 B10R1.15 C[C@H](CO)c1ccccc1 Amb3939248 [1,0,0,0,1,0|2,0,0]=4 2504 B10R1.15 C[C@H](NN)c1ccccc1 Amb26589811 [1,0,0,0,1,0|2,0,0]=4 2505 B10R1.15 C[C@H](ON)c1ccccc1 Amb32665788 [1,0,0,0,1,0|1,0,0]=3 2506 B10R1.15 C[C@H](ON)c1ccccc1 Amb32666539 [1,0,0,0,1,0|1,0,0]=3 2507 B10R1.15 C[C@H](ON)c1ccccn1 Amb33483778 [1,0,0,0,1,0|2,0,0]=4 2508 B10R1.15 C[C@H](ON)c1ccncc1 Amb33299308 [1,0,0,0,1,0|2,0,0]=4 2509 B10R1.15 C\C=C(/C)c1ccccc1 Amb29628341 [1,0,0,0,1,0|1,0,1]=4 2510 B10R1.15 C\C=C(\C)c1ccccc1 Amb26360165 [1,0,0,0,1,0|1,0,1]=4 2511 B10R1.15 N#CC(O)c1ccccc1 Amb3997186 [1,0,0,0,1,0|2,0,0]=4 2512 B10R1.15 N#C[C@H](O)c1ccccc1 Amb21618705 [1,0,0,0,1,0|2,0,0]=4 2513 B10R1.15 NCC(O)c1ccccc1 Amb33542602 [1,0,0,0,1,0|2,0,0]=4 2514 B10R1.15 NCC(O)c1ccccc1 Amb33544420 [1,0,0,0,1,0|2,0,0]=4 2515 B10R1.15 NC[C@@H](O)c1ccccc1 Amb24107154 [1,0,0,0,1,0|2,0,0]=4 2516 B10R1.15 NC[C@@H](O)c1ccccc1 Amb8630286 [1,0,0,0,1,0|2,0,0]=4 2517 B10R1.15 NC[C@H](O)c1ccccc1 Amb10070626 [1,0,0,0,1,0|2,0,0]=4 2518 B10R1.15 NC[C@H](O)c1ccccc1 Amb8631408 [1,0,0,0,1,0|2,0,0]=4 2519 B10R1.15 O=CC(O)c1ccccc1 Amb17593446 [1,0,0,0,1,0|2,0,0]=4 2520 B10R1.15 O=C[C@H](O)c1ccccc1 Amb28388660 [1,0,0,0,1,0|2,0,0]=4 2521 B10R1.15 OC(CBr)c1ccccc1 Amb17206105 [1,0,0,0,1,0|2,0,0]=4 2522 B10R1.15 OC(CCl)c1ccccc1 Amb9826903 [1,0,0,0,1,0|2,0,0]=4 2523 B10R1.15 OC(CF)c1ccccc1 Amb22731897 [1,0,0,0,1,0|2,0,0]=4 2524 B10R1.15 OC(CI)c1ccccc1 Amb28073875 [1,0,0,0,1,0|2,0,0]=4 2525 B10R1.15 OC(CS)c1ccccc1 Amb10608997 [1,0,0,0,1,0|2,0,0]=4 2526 B10R1.15 OCC(O)c1ccccc1 Amb4350706 [1,0,0,0,1,0|2,0,0]=4 2527 B10R1.15 OC[C@@H](O)c1ccccc1 Amb8514912 [1,0,0,0,1,0|2,0,0]=4 2528 B10R1.15 OC[C@H](O)c1ccccc1 Amb8389336 [1,0,0,0,1,0|2,0,0]=4 2529 B10R1.15 O[C@@H](CBr)c1ccccc1 Amb19929326 [1,0,0,0,1,0|2,0,0]=4 2530 B10R1.15 O[C@@H](CCl)c1ccccc1 Amb16231709 [1,0,0,0,1,0|2,0,0]=4 2531 B10R1.15 O[C@@H](CF)c1ccccc1 Amb24389146 [1,0,0,0,1,0|2,0,0]=4 2532 B10R1.15 O[C@@H](CS)c1ccccc1 Amb27604413 [1,0,0,0,1,0|2,0,0]=4 2533 B10R1.15 O[C@H](CBr)c1ccccc1 Amb19929329 [1,0,0,0,1,0|2,0,0]=4 2534 B10R1.15 O[C@H](CCl)c1ccccc1 Amb8394082 [1,0,0,0,1,0|2,0,0]=4 2535 B10R1.15 O[C@H](CF)c1ccccc1 Amb24437736 [1,0,0,0,1,0|2,0,0]=4 2536 B10R1.15 O[C@H](CS)c1ccccc1 Amb27494941 [1,0,0,0,1,0|2,0,0]=4 2537 B10R1.15 [C-]#[N+]C(C)c1ccccc1 Amb2688979 [1,0,0,0,1,0|1,0,1]=4 2538 B10R1.15 [C-]#[N+][C@@H](C)c1ccccc1 Amb2684311 [1,0,0,0,1,0|1,0,1]=4 2539 B10R1.15 [C-]#[N+][C@H](C)c1ccccc1 Amb2684310 [1,0,0,0,1,0|1,0,1]=4 2540 B10R1.27 CCC(O)Cc1cccs1 Amb17477783 [1,0,0,0,1,0|2,0,0]=4 2541 B10R1.27 CCC(O)Cc1ccoc1 Amb28282163 [1,0,0,0,1,0|2,0,0]=4 2542 B10R1.27 CNC(C)Cc1ccco1 Amb5735446 [1,0,0,0,1,0|2,0,0]=4 2543 B10R1.27 CNC(C)Cc1cccs1 Amb20623809 [1,0,0,0,1,0|2,0,0]=4 2544 B10R1.27 CNC(C)Cc1cccs1 Amb5735447 [1,0,0,0,1,0|2,0,0]=4 2545 B10R1.27 CNC(C)Cc1ccoc1 Amb27205555 [1,0,0,0,1,0|2,0,0]=4 2546 B10R1.27 CNC(C)Cc1ccsc1 Amb18292049 [1,0,0,0,1,0|2,0,0]=4 2547 B10R1.27 CNC(C)Cc1ccsc1 Amb33551688 [1,0,0,0,1,0|2,0,0]=4 2548 B10R1.27 COC(C)Cn1cccn1 Amb28131030 [1,0,0,0,1,0|2,0,0]=4 2549 B10R1.27 COC(C)Cn1ccnc1 Amb27851070 [1,0,0,0,1,0|2,0,0]=4 2550 B10R1.9 COB(OC)c1ccco1 Amb27266142 [0,0,0,0,2,0|2,0,0]=4 2551 B10R1.9 COC(OC)c1ccco1 Amb22228156 [0,0,0,0,2,0|1,0,0]=3 2552 B10R1.9 COC(OC)c1cccs1 Amb20671376 [0,0,0,0,2,0|1,0,0]=3 2553 B10R1.9 COC(OC)c1ccoc1 Amb28323149 [0,0,0,0,2,0|1,0,0]=3 2554 B10R1.9 COC(OC)c1cnco1 Amb22371150 [0,0,0,0,2,0|2,0,0]=4 2555 B10R1.9 COC(OC)c1ncco1 Amb27406817 [0,0,0,0,2,0|2,0,0]=4 2556 B10R1.9 COC(OC)n1ccnc1 Amb28435450 [0,0,0,0,2,0|2,0,0]=4 2557 B10R1.9 CO[SiH](OC)c1ccco1 Amb27215470 [0,0,0,0,2,0|1,1,0]=4 2558 B12R1.27 C#CC(C)CCc1ccccc1 Amb32951850 [1,0,0,0,0,1|1,0,1]=4 2559 B12R1.27 C#CC(C)NCc1ccccc1 Amb27866300 [1,0,0,0,0,1|1,0,1]=4 2560 B12R1.27 C#CC(O)CCc1ccccc1 Amb25024201 [1,0,0,0,0,1|1,0,1]=4 2561 B12R1.27 C#CC(O)CNc1ccccc1 Amb29875227 [1,0,0,0,0,1|1,0,1]=4 2562 B12R1.27 C#C[C@H](C)NCc1ccccc1 Amb28461424 [1,0,0,0,0,1|1,0,1]=4 2563 B12R1.27 C#C[C@H](O)COc1ccccc1 Amb27394834 [1,0,0,0,0,1|1,0,1]=4 2564 B12R1.27 C=CC(O)CCc1ccccc1 Amb33082669 [1,0,0,0,0,1|1,0,1]=4 2565 B12R1.27 C=C[C@@H](C)NCc1ccccc1 Amb27616678 [1,0,0,0,0,1|1,0,1]=4 2566 B12R1.27 CC(C#N)CCc1ccccc1 Amb8950031 [1,0,0,0,0,1|2,0,0]=4 2567 B12R1.27 CC(C#N)CNc1ccccc1 Amb8867341 [1,0,0,0,0,1|2,0,0]=4 2568 B12R1.27 CC(C#N)COc1ccccc1 Amb9028581 [1,0,0,0,0,1|2,0,0]=4 2569 B12R1.27 CC(C#N)CSc1ccccc1 Amb4014426 [1,0,0,0,0,1|2,0,0]=4 2570 B12R1.27 CC(C#N)NCc1ccccc1 Amb17044860 [1,0,0,0,0,1|2,0,0]=4 2571 B12R1.27 CC(C#N)OCc1ccccc1 Amb18797967 [1,0,0,0,0,1|2,0,0]=4 2572 B12R1.27 CC(C=O)CCc1ccccc1 Amb4358580 [1,0,0,0,0,1|2,0,0]=4 2573 B12R1.27 CC(C=O)CSc1ccccc1 Amb17594629 [1,0,0,0,0,1|2,0,0]=4 2574 B12R1.27 CC(C=O)OCc1ccccc1 Amb18646071 [1,0,0,0,0,1|2,0,0]=4 2575 B12R1.27 CC(C=O)SCc1ccccc1 Amb18648419 [1,0,0,0,0,1|2,0,0]=4 2576 B12R1.27 CC(CBr)CCc1ccccc1 Amb32954572 [1,0,0,0,0,1|2,0,0]=4 2577 B12R1.27 CC(CBr)NCc1ccccc1 Amb28318958 [1,0,0,0,0,1|2,0,0]=4 2578 B12R1.27 CC(CCc1ccccc1)ON Amb32951848 [1,0,0,0,0,1|1,0,0]=3 2579 B12R1.27 CC(CCl)CNc1ccccc1 Amb22756334 [1,0,0,0,0,1|2,0,0]=4 2580 B12R1.27 CC(CN)CCc1ccccc1 Amb4358596 [1,0,0,0,0,1|2,0,0]=4 2581 B12R1.27 CC(CN)COc1ccccc1 Amb9029321 [1,0,0,0,0,1|2,0,0]=4 2582 B12R1.27 CC(CN)NCc1ccccc1 Amb18646179 [1,0,0,0,0,1|2,0,0]=4 2583 B12R1.27 CC(CN)OCc1ccccc1 Amb18312421 [1,0,0,0,0,1|2,0,0]=4 2584 B12R1.27 CC(CN)SCc1ccccc1 Amb19024833 [1,0,0,0,0,1|2,0,0]=4 2585 B12R1.27 CC(CO)CCc1ccccc1 Amb32413001 [1,0,0,0,0,1|2,0,0]=4 2586 B12R1.27 CC(CO)COc1ccccc1 Amb17232599 [1,0,0,0,0,1|2,0,0]=4 2587 B12R1.27 CC(CO)NCc1ccccc1 Amb2697658 [1,0,0,0,0,1|2,0,0]=4 2588 B12R1.27 CC(CO)OCc1ccccc1 Amb25667474 [1,0,0,0,0,1|2,0,0]=4 2589 B12R1.27 CC(COc1ccccc1)NN Amb18563755 [1,0,0,0,0,1|2,0,0]=4 2590 B12R1.27 CC(COc1ccccc1)NN Amb33552558 [1,0,0,0,0,1|2,0,0]=4 2591 B12R1.27 CC(CS)NCc1ccccc1 Amb27606358 [1,0,0,0,0,1|2,0,0]=4 2592 B12R1.27 CC(\C=C\c1ccccc1)ON Amb33080788 [1,0,0,0,0,1|1,0,1]=4 2593 B12R1.27 CCC(C)CNc1cccnc1 Amb6719795 [1,0,0,0,0,1|2,0,0]=4 2594 B12R1.27 CCC(C)NCc1ccccc1 Amb5729099 [1,0,0,0,0,1|1,0,0]=3 2595 B12R1.27 CCC(C)NCc1ccccc1 Amb837601 [1,0,0,0,0,1|1,0,0]=3 2596 B12R1.27 CCC(C)NCc1ccccn1 Amb20673664 [1,0,0,0,0,1|2,0,0]=4 2597 B12R1.27 CCC(C)NCc1ccccn1 Amb6868322 [1,0,0,0,0,1|2,0,0]=4 2598 B12R1.27 CCC(C)NCc1ccccn1 Amb9749024 [1,0,0,0,0,1|2,0,0]=4 2599 B12R1.27 CCC(C)NCc1cccnc1 Amb20673665 [1,0,0,0,0,1|2,0,0]=4 2600 B12R1.27 CCC(C)NCc1cccnc1 Amb6864746 [1,0,0,0,0,1|2,0,0]=4 2601 B12R1.27 CCC(C)NCc1cccnc1 Amb9740406 [1,0,0,0,0,1|2,0,0]=4 2602 B12R1.27 CCC(C)NCc1ccncc1 Amb20673659 [1,0,0,0,0,1|2,0,0]=4 2603 B12R1.27 CCC(C)NCc1ccncc1 Amb6864745 [1,0,0,0,0,1|2,0,0]=4 2604 B12R1.27 CCC(C)NCc1ccncc1 Amb9740411 [1,0,0,0,0,1|2,0,0]=4 2605 B12R1.27 CCC(N)CCc1ccccc1 Amb9031865 [1,0,0,0,0,1|2,0,0]=4 2606 B12R1.27 CCC(N)CNc1ccccc1 Amb19009674 [1,0,0,0,0,1|2,0,0]=4 2607 B12R1.27 CCC(N)COc1ccccc1 Amb19029691 [1,0,0,0,0,1|2,0,0]=4 2608 B12R1.27 CCC(N)CSc1ccccc1 Amb17485970 [1,0,0,0,0,1|2,0,0]=4 2609 B12R1.27 CCC(O)C#Cc1ccccc1 Amb2721621 [1,0,0,0,0,1|1,0,1]=4 2610 B12R1.27 CCC(O)CCc1ccccc1 Amb17138574 [1,0,0,0,0,1|1,0,0]=3 2611 B12R1.27 CCC(O)CCc1cccnc1 Amb30584931 [1,0,0,0,0,1|2,0,0]=4 2612 B12R1.27 CCC(O)CNc1ccccc1 Amb13952005 [1,0,0,0,0,1|1,0,0]=3 2613 B12R1.27 CCC(O)CNc1ccncc1 Amb27595133 [1,0,0,0,0,1|2,0,0]=4 2614 B12R1.27 CCC(O)\C=C\c1ccccc1 Amb22546605 [1,0,0,0,0,1|1,0,1]=4 2615 B12R1.27 CC[C@@H](C)NCc1ccccc1 Amb28283155 [1,0,0,0,0,1|1,0,0]=3 2616 B12R1.27 CC[C@@H](O)CNc1ccccc1 Amb27793988 [1,0,0,0,0,1|1,0,0]=3 2617 B12R1.27 CC[C@H](N)CNc1ccccc1 Amb27965358 [1,0,0,0,0,1|2,0,0]=4 2618 B12R1.27 CC[C@H](O)CNc1ccccc1 Amb28071833 [1,0,0,0,0,1|1,0,0]=3 2619 B12R1.27 CC[C@H](O)\C=C\c1ccccc1 Amb27205385 [1,0,0,0,0,1|1,0,1]=4 2620 B12R1.27 CNC(C)C#Cc1ccccc1 Amb27756782 [1,0,0,0,0,1|1,0,1]=4 2621 B12R1.27 CNC(C)CCc1ccccc1 Amb1138722 [1,0,0,0,0,1|1,0,0]=3 2622 B12R1.27 CNC(C)CCc1cccnc1 Amb17507452 [1,0,0,0,0,1|2,0,0]=4 2623 B12R1.27 CNC(C)CSc1ccccc1 Amb32663529 [1,0,0,0,0,1|1,0,0]=3 2624 B12R1.27 CNC(C)CSc1ccccc1 Amb32664540 [1,0,0,0,0,1|1,0,0]=3 2625 B12R1.27 CN[C@H](C)CNc1ccccc1 Amb28076762 [1,0,0,0,0,1|1,0,0]=3 2626 B12R1.27 COC(=N)CSc1ccccc1 Amb29847972 [1,0,0,0,0,1|1,0,1]=4 2627 B12R1.27 COC(=O)CCc1ccccc1 Amb843216 [1,0,0,0,0,1|0,0,2]=4 2628 B12R1.27 COC(=O)CNc1ccccc1 Amb33548260 [1,0,0,0,0,1|0,0,2]=4 2629 B12R1.27 COC(=O)CNc1ccccc1 Amb6323391 [1,0,0,0,0,1|0,0,2]=4 2630 B12R1.27 COC(=O)COc1ccccc1 Amb2689596 [1,0,0,0,0,1|0,0,2]=4 2631 B12R1.27 COC(=O)CSc1ccccc1 Amb2689638 [1,0,0,0,0,1|0,0,2]=4 2632 B12R1.27 COC(=O)NCc1ccccc1 Amb2746993 [1,0,0,0,0,1|0,0,2]=4 2633 B12R1.27 COC(=O)OCc1ccccc1 Amb25034726 [1,0,0,0,0,1|0,0,2]=4 2634 B12R1.27 COC(=S)NCc1ccccc1 Amb27388388 [1,0,0,0,0,1|0,1,1]=4 2635 B12R1.27 COC(C)CNc1cccnn1 Amb28322460 [1,0,0,0,0,1|2,0,0]=4 2636 B12R1.27 COC(C)CNc1ccncc1 Amb27748266 [1,0,0,0,0,1|1,0,0]=3 2637 B12R1.27 COC(Cl)\C=C\c1ccccc1 Amb26371733 [1,0,0,0,0,1|1,0,1]=4 2638 B12R1.27 CSC(C)CNc1ccccc1 Amb18312645 [1,0,0,0,0,1|0,1,0]=3 2639 B12R1.27 CSC(C)CNc1ccccn1 Amb28320603 [1,0,0,0,0,1|1,1,0]=4 2640 B12R1.27 CSC(C)CNc1ccncc1 Amb27403780 [1,0,0,0,0,1|1,1,0]=4 2641 B12R1.27 C[C@@H](C=O)OCc1ccccc1 Amb17609288 [1,0,0,0,0,1|2,0,0]=4 2642 B12R1.27 C[C@@H](CF)NCc1ccccc1 Amb28145925 [1,0,0,0,0,1|2,0,0]=4 2643 B12R1.27 C[C@@H](CN)NCc1ccccc1 Amb24396541 [1,0,0,0,0,1|2,0,0]=4 2644 B12R1.27 C[C@@H](CO)NCc1ccccc1 Amb19301927 [1,0,0,0,0,1|2,0,0]=4 2645 B12R1.27 C[C@@H](CO)OCc1ccccc1 Amb17609287 [1,0,0,0,0,1|2,0,0]=4 2646 B12R1.27 C[C@H](CF)NCc1ccccc1 Amb28066677 [1,0,0,0,0,1|2,0,0]=4 2647 B12R1.27 C[C@H](CN)NCc1ccccc1 Amb25861224 [1,0,0,0,0,1|2,0,0]=4 2648 B12R1.27 C[C@H](CO)NCc1ccccc1 Amb19375302 [1,0,0,0,0,1|2,0,0]=4 2649 B12R1.27 C\N=C(\C)OCc1ccccc1 Amb27784725 [1,0,0,0,0,1|1,0,1]=4 2650 B12R1.27 N#C[C@@H](O)COc1ccccc1 Amb24474239 [1,0,0,0,0,1|2,0,0]=4 2651 B12R1.27 N#C[C@H](O)COc1ccccc1 Amb28461129 [1,0,0,0,0,1|2,0,0]=4 2652 B12R1.27 NCC(O)CCc1ccccc1 Amb18315280 [1,0,0,0,0,1|2,0,0]=4 2653 B12R1.27 NCC(O)CNc1ccccc1 Amb17138613 [1,0,0,0,0,1|2,0,0]=4 2654 B12R1.27 NCC(O)COc1ccccc1 Amb6365926 [1,0,0,0,0,1|2,0,0]=4 2655 B12R1.27 NCC(O)COc1ccccc1 Amb9710900 [1,0,0,0,0,1|2,0,0]=4 2656 B12R1.27 NCC(O)CSc1ccccc1 Amb6678669 [1,0,0,0,0,1|2,0,0]=4 2657 B12R1.27 NC[C@@H](O)CCc1ccccc1 Amb32952383 [1,0,0,0,0,1|2,0,0]=4 2658 B12R1.27 NC[C@@H](O)COc1ccccc1 Amb22747719 [1,0,0,0,0,1|2,0,0]=4 2659 B12R1.27 NC[C@H](O)CCc1ccccc1 Amb33081741 [1,0,0,0,0,1|2,0,0]=4 2660 B12R1.27 OC(CBr)CCc1ccccc1 Amb32951853 [1,0,0,0,0,1|2,0,0]=4 2661 B12R1.27 OC(CCl)CCc1ccccc1 Amb32954413 [1,0,0,0,0,1|2,0,0]=4 2662 B12R1.27 OC(CCl)CNc1ccccc1 Amb10565986 [1,0,0,0,0,1|2,0,0]=4 2663 B12R1.27 OC(CCl)COc1ccccc1 Amb9787566 [1,0,0,0,0,1|2,0,0]=4 2664 B12R1.27 OC(CCl)CSc1ccccc1 Amb32421552 [1,0,0,0,0,1|2,0,0]=4 2665 B12R1.27 OC(CF)CCc1ccccc1 Amb32954420 [1,0,0,0,0,1|2,0,0]=4 2666 B12R1.27 OC(CF)CNc1ccccc1 Amb26517065 [1,0,0,0,0,1|2,0,0]=4 2667 B12R1.27 OC(CF)COc1ccccc1 Amb32661710 [1,0,0,0,0,1|2,0,0]=4 2668 B12R1.27 OCC(O)CCc1ccccc1 Amb17508778 [1,0,0,0,0,1|2,0,0]=4 2669 B12R1.27 OCC(O)COc1ccccc1 Amb532993 [1,0,0,0,0,1|2,0,0]=4 2670 B12R1.27 OC[C@@H](O)COc1ccccc1 Amb30621933 [1,0,0,0,0,1|2,0,0]=4 2671 B12R1.27 OC[C@@H](O)OCc1ccccc1 Amb28065346 [1,0,0,0,0,1|2,0,0]=4 2672 B12R1.27 OC[C@H](O)CNc1ccccc1 Amb27238799 [1,0,0,0,0,1|2,0,0]=4 2673 B12R1.27 OC[C@H](O)COc1ccccc1 Amb10982588 [1,0,0,0,0,1|2,0,0]=4 2674 B12R1.27 [C-]#[N+]C(C)CCc1ccccc1 Amb2689630 [1,0,0,0,0,1|1,0,1]=4 2675 B12R1.27 [C-]#[N+]C(C)COc1ccccc1 Amb28385134 [1,0,0,0,0,1|1,0,1]=4 2676 B14R1.546 CCC(CC)NCCc1ccccc1 Amb22587067 [0,0,0,0,0,2|2,0,0]=4 2677 B14R1.546 CCC(CC)NCCc1ccccc1 Amb6695502 [0,0,0,0,0,2|2,0,0]=4 2678 B14R1.546 CCC(COCc1ccccc1)NC Amb19079623 [0,0,0,0,0,2|2,0,0]=4 2679 B14R1.546 COC(C=O)COCc1ccccc1 Amb27952668 [0,0,0,0,0,2|2,0,0]=4 2680 B14R1.546 COC(CCCc1ccccc1)OC Amb10559986 [0,0,0,0,0,2|0,0,0]=2 2681 B14R1.546 COC(CCSc1ccccc1)OC Amb32682628 [0,0,0,0,0,2|0,0,0]=2 2682 B14R1.546 COC(CNCc1ccccc1)OC Amb6740262 [0,0,0,0,0,2|0,0,0]=2 2683 B14R1.546 COC(CO)COCc1ccccc1 Amb27411561 [0,0,0,0,0,2|2,0,0]=4 2684 B14R1.546 COC(COCc1ccccc1)OC Amb10807987 [0,0,0,0,0,2|0,0,0]=2 2685 B14R1.546 COC(CSCc1ccccc1)OC Amb33249624 [0,0,0,0,0,2|0,0,0]=2 2686 B14R1.546 COC(C\N=C\c1ccccc1)OC Amb2608589 [0,0,0,0,0,2|0,0,0]=2 2687 B14R1.546 CO[C@@H](CO)COCc1ccccc1 Amb27946931 [0,0,0,0,0,2|2,0,0]=4