0 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS11887 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.30 O=C(C#CCO)C1=CC=CC=C1 MC111021 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.30 O=C(NCCO)C1=CN=CC=C1 CS11709 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 MC40015 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.16 CCOC(=O)C1=CC=NC=C1 MC41618 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS19194 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.16 CCOC(=O)C1=NC=CC=C1 CS14035 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.16 CN(CCN)C1=CC=CC=C1 CS11704 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.16 CNCC(C)C1=CC=CC=C1 MC446681 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.16 CNCC(O)C1=CC=CC=C1 MC446674 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS10995 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.16 N#CCC(=O)C1=CC=CN=C1 MC425586 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.16 NC(CCO)C1=CC=CC=C1 CS18735 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.16 NC(CCO)C1=CC=CC=C1 CS21217 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 MC41078 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS10897 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS22197 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.16 OC(CCCl)C1=CC=CC=C1 MC20313 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.28 BrCCCOC1=CC=CC=C1 CS15031 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [1,0,0,0,0,0|0,0,3]=4 23 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.28 Cl[Zn]C\C=C\c1ccccc1 MC116079 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [1,0,0,0,0,0|1,0,1]=3 29 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 CS22799 [0,1,0,0,0,0|1,0,0]=2 30 B13R1.17 NCCNC(=O)C1=NC=C(Cl)C=C1 MC34142 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.17 NCCNC(=O)C1=NC=C(Cl)C=C1 MC34143 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 MC21005 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 MC21065 [0,1,0,0,0,0|0,0,0]=1 34 B13R1.24 O=C(OCCCCl)C1=CC=CC=C1 MC40017 [0,1,0,0,0,0|0,0,0]=1 35 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 MC111368 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.45 CC(O)CCC(=O)C1=CC=CC=C1 CS14046 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 MC31215 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CS22116 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 MC439497 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.45 O=C(O)CNC(=O)c1ccccc1 MC34005 [0,1,0,0,0,0|2,0,1]=4 41 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 MC113029 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 CS19345 [0,0,0,1,0,0|2,0,1]=4 43 B13R2.371 CC1=NCC(C)C2=CC=CC=C21 MC33409 [0,0,0,1,0,0|2,0,0]=3 44 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 CS17849 [0,0,0,1,0,0|2,0,0]=3 45 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 MC20683 [0,0,0,1,0,0|1,0,0]=2 46 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 CS11086 [0,0,0,1,0,0|2,0,0]=3 47 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [2,0,0,0,0,0|0,0,0]=2 53 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.15 COC(=O)C1=CN=CN=C1 MC444563 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [2,0,0,0,0,0|1,0,1]=4 71 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [2,0,0,0,0,0|1,0,1]=4 73 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.17 NCCOC1=CC=CN=C1 CS16368 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [2,0,0,0,0,0|1,0,0]=3 76 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 CS11362 [1,1,0,0,0,0|0,0,0]=2 77 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CS11363 [1,1,0,0,0,0|0,0,0]=2 78 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=N1 CS12305 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 CS21694 [1,1,0,0,0,0|0,0,0]=2 80 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 CS19762 [1,1,0,0,0,0|0,0,0]=2 81 B12R1.16 CCOC(=O)C1=CC=C(N)N=N1 MC425265 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 CS18640 [1,1,0,0,0,0|0,0,0]=2 83 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 CS12492 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 CS11397 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 CS20898 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 CS12296 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 CS21311 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 CS18817 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 CS19325 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.16 CCOC(=O)C1=NC=C(Br)C=N1 CS12561 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.16 CCOC(=O)C1=NC=C(Br)N=C1 CS12107 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 CS14696 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.16 CCOC(=O)C1=NC=C(Cl)N=C1 CS16733 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 MC430639 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 MC425285 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 CS10944 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 MC20625 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 MC41277 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 MC433259 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS14887 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.17 CCOC(=O)C1=CC(=O)NC=N1 MC106697 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.17 CCOC(=O)C1=CC(Br)=CC=C1 MC40031 [1,1,0,0,0,0|0,0,0]=2 103 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 MC20736 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 CS14959 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.17 CCOC(=O)C1=CC(I)=CC=C1 CS11354 [1,1,0,0,0,0|0,0,0]=2 106 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 MC40025 [1,1,0,0,0,0|0,0,0]=2 107 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 CS17963 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 CS11352 [1,1,0,0,0,0|0,0,0]=2 109 B12R1.17 CCOC(=O)C1=CN=CC(Br)=C1 CS22041 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.17 CCOC(=O)C1=CN=CC(F)=C1 MC430707 [1,1,0,0,0,0|1,0,0]=3 111 B12R1.17 CCOC(=O)C1=NC(=O)NC=C1 MC441257 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 CS13935 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.17 CCOC(=O)C1=NC(Br)=NC=C1 MC442162 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.17 CCOC(=O)C1=NC(Cl)=CC=C1 CS15548 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.17 CCOC(=O)C1=NC(Cl)=NC=C1 MC441258 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 CS10611 [1,1,0,0,0,0|1,0,0]=3 117 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 MC441256 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.17 CCOC(=O)C1=NC=CC(N)=N1 CS12503 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.17 CCOC(=O)C1=NC=NC(Cl)=C1 MC442159 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.17 N#CCC(=O)C1=CC(Br)=CC=C1 MC40793 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 CS21429 [1,1,0,0,0,0|1,0,1]=4 122 B12R1.17 N#CCC(=O)C1=CC(F)=CC=C1 MC429587 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 MC20896 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [1,1,0,0,0,0|0,0,1]=3 125 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.308 CCCC(=O)C1=C(N)C=CC=C1 MC430441 [1,1,0,0,0,0|0,0,0]=2 127 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 MC20191 [1,1,0,0,0,0|0,0,0]=2 128 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 MC20829 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.308 CCOC(=O)C1=C(Br)N=CC=C1 CS21405 [1,1,0,0,0,0|1,0,0]=3 130 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 MC40044 [1,1,0,0,0,0|0,0,0]=2 131 B12R1.308 CCOC(=O)C1=C(C)C=CN=N1 MC104552 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 MC104788 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 CS20897 [1,1,0,0,0,0|1,0,0]=3 134 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 CS11340 [1,1,0,0,0,0|0,0,0]=2 135 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 CS13612 [1,1,0,0,0,0|1,0,0]=3 136 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 MC100279 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.308 CCOC(=O)C1=CC=CC=C1O MC34575 [1,1,0,0,0,0|0,0,0]=2 138 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl CS18275 [1,1,0,0,0,0|1,0,0]=3 139 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl CS18296 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.308 CCOC(=O)C1=CN=CN=C1N MC444489 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.308 CCOC(=O)C1=CN=CN=C1O CS18328 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.308 CCOC(=O)C1=CN=CNC1=O CS17889 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.308 CCOC(=O)C1=CN=NC=C1C MC104021 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.308 CCOC(=O)C1=NC=CC=C1F MC432518 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.308 CCOC(=O)C1=NC=CC=C1N CS22110 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl MC444493 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.308 CCOC(=O)C1=NC=NC=C1Br CS13681 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.308 N#CCC(=O)C1=C(Cl)C=CC=C1 CS21428 [1,1,0,0,0,0|1,0,1]=4 149 B12R1.308 N#CCC(=O)C1=C(F)C=CC=C1 MC433794 [1,1,0,0,0,0|1,0,1]=4 150 B12R1.308 O=C(CCCl)C1=C(Cl)C=CC=C1 MC429389 [1,1,0,0,0,0|1,0,0]=3 151 B12R1.8 BrCCCOCC1=CC=CC=C1 CS10023 [1,1,0,0,0,0|0,0,1]=3 152 B12R1.8 CNCCNCC1=CC=CC=C1 MC107809 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.8 NCCCNCC1=CC=CC=C1 CS11742 [1,1,0,0,0,0|1,0,1]=4 154 B12R1.8 OCCCCCC1=CC=CC=C1 MC443206 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.28 CCCCOC1=CC=CC(O)=C1 MC445596 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [1,1,0,0,0,0|0,0,1]=3 158 B14R1.29 CCCC(C)CC(=O)C1=CC=CC=C1 CS17515 [0,2,0,0,0,0|1,0,0]=3 159 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CS11380 [0,2,0,0,0,0|1,0,1]=4 160 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 MC445711 [0,2,0,0,0,0|1,0,0]=3 161 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 CS11088 [0,2,0,0,0,0|0,0,0]=2 162 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Br)C=C1 MC425584 [0,2,0,0,0,0|2,0,0]=4 163 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 CS10064 [0,2,0,0,0,0|2,0,0]=4 164 B14R1.35 O=C(C1=CC=C(Cl)C=C1)C(Br)CCCl MC425077 [0,2,0,0,0,0|2,0,0]=4 165 B14R1.125 CC1=CC=C(S(=O)(=O)OCCF)C=C1 CS21563 [0,2,0,0,0,0|2,0,0]=4 166 B14R1.941 C=CCOC(=O)C1=CC(F)=C(N)C=C1 CS14795 [0,2,0,0,0,0|0,0,2]=4 167 B14R1.941 CCCCC(=O)C1=CC(F)=C(F)C=C1 MC41288 [0,2,0,0,0,0|1,0,0]=3 168 B14R1.2523 CCCCC(=O)C1=C(O)C=C(C)C=C1 MC41287 [0,2,0,0,0,0|1,0,0]=3 169 B14R1.38 C=CCCONC(=O)C1=CC=CC=C1 MC110632 [0,2,0,0,0,0|0,0,1]=3 170 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 MC21009 [0,2,0,0,0,0|1,0,1]=4 171 B14R1.3098 CC(C)(C)OOC(=O)C1=CC=CC=C1 MC40132 [0,2,0,0,0,0|1,0,0]=3 172 B14R1.3098 CC(F)(F)COC(=O)C1=CC=CC=C1 MC429357 [0,2,0,0,0,0|0,0,0]=2 173 B12R2.2 C1=CC(C2=NCCC2)=CC=N1 MC425128 [1,0,0,1,0,0|2,0,0]=4 174 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [1,0,0,1,0,0|1,0,1]=4 175 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [1,0,0,1,0,0|1,0,1]=4 176 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [1,0,0,1,0,0|1,0,1]=4 177 B12R2.116 NC1(C2=CC=CC=C2)CCC1 CS20790 [1,0,0,1,0,0|1,0,1]=4 178 B12R2.1081 NC1CCCC2=CC=CC=C21 CS13980 [1,0,0,1,0,0|1,0,1]=4 179 B12R2.1081 O=C1CCCC2=C1C=CC=N2 CS18351 [1,0,0,1,0,0|1,0,0]=3 180 B12R2.1081 O=C1CCCC2=C1C=CN=C2 CS16479 [1,0,0,1,0,0|1,0,0]=3 181 B12R2.1081 O=C1CCCC2=C1C=NC=C2 CS18873 [1,0,0,1,0,0|1,0,0]=3 182 B12R2.1081 O=C1CCCC2=C1N=CC=C2 CS15049 [1,0,0,1,0,0|1,0,0]=3 183 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [1,0,0,1,0,0|0,0,0]=2 184 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [1,0,0,1,0,0|1,0,0]=3 185 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [1,0,0,1,0,0|1,0,0]=3 186 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [1,0,0,1,0,0|1,0,0]=3 187 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [1,0,0,1,0,0|1,0,0]=3 188 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [1,0,0,1,0,0|1,0,0]=3 189 B12R2.1081 O=C1NCCC2=CC=NC=C12 MC104301 [1,0,0,1,0,0|2,0,0]=4 190 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [1,0,0,1,0,0|0,0,0]=2 191 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [1,0,0,1,0,0|1,0,0]=3 192 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 MC41809 [1,0,0,1,0,0|1,0,1]=4 193 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 MC20691 [1,0,0,1,0,0|2,0,0]=4 194 B12R2.41 C1=CC2=C(C=C1)CNCCC2 CS12567 [1,0,0,1,0,0|1,0,1]=4 195 B12R2.41 C1=CC2=C(C=C1)NCCCC2 CS18041 [1,0,0,1,0,0|2,0,0]=4 196 B14R2.24 O=C1NCCNC1C2=CC=CC=C2 MC104289 [0,0,0,1,0,1|2,0,0]=4 197 B14R2.24 O=C1NCCNC1C2=CC=CC=C2 MC105374 [0,0,0,1,0,1|2,0,0]=4 198 B14R2.24 O=C1NCCNC1C2=CC=CC=C2 MC442763 [0,0,0,1,0,1|2,0,0]=4 199 B14R2.21 NC1CCOC(C2=CC=CC=C2)C1 MC105776 [0,1,0,1,0,0|1,0,1]=4 200 B14R2.68 OC1COC(C2=CC=CC=C2)OC1 CS11153 [0,1,0,1,0,0|0,0,2]=4 201 B14R2.933 O=C(NC1CC1)C2=CC=C(Cl)N=C2 MC434006 [0,1,0,1,0,0|2,0,0]=4 202 B14R2.8719 O=C1CCCCC2=C1C=CC(Br)=C2 MC106565 [0,1,0,1,0,0|1,0,0]=3 203 B14R2.8719 O=C1NCCCC2=C1C=CC(Br)=C2 MC429709 [0,1,0,1,0,0|1,0,0]=3 204 B14R2.685 NC1=CC=CC2=C1CCCCC2=O CS20597 [0,1,0,1,0,0|1,0,0]=3 205 B14R2.5637 O=C1CCCNC2=C1C=C(Cl)C=C2 CS18026 [0,1,0,1,0,0|2,0,0]=4 206 B14R2.114 O=C(C1=CC=CC=C1)C2CCNC2 CS15372 [0,1,0,1,0,0|1,0,0]=3 207 B14R2.690 CC1CC1(Cl)S(=O)C2=CC=CC=C2 MC115711 [0,1,0,1,0,0|2,0,0]=4 208 B10R1.11 CCOC(=O)C1=CC=CN1 CS10538 [1,0,0,0,1,0|1,0,0]=3 209 B10R1.11 CCOC(=O)C1=CC=CO1 MC10319 [1,0,0,0,1,0|1,0,0]=3 210 B10R1.11 CCOC(=O)C1=CC=CS1 CS14077 [1,0,0,0,1,0|1,0,0]=3 211 B10R1.11 CCOC(=O)C1=CN=CO1 CS17742 [1,0,0,0,1,0|2,0,0]=4 212 B10R1.11 CCOC(=O)C1=CN=CS1 CS11320 [1,0,0,0,1,0|2,0,0]=4 213 B10R1.11 CCOC(=O)C1=CNC=C1 MC115913 [1,0,0,0,1,0|1,0,0]=3 214 B10R1.11 CCOC(=O)C1=CNC=N1 CS18895 [1,0,0,0,1,0|2,0,0]=4 215 B10R1.11 CCOC(=O)C1=CNN=C1 CS10111 [1,0,0,0,1,0|2,0,0]=4 216 B10R1.11 CCOC(=O)C1=COC=N1 CS18179 [1,0,0,0,1,0|2,0,0]=4 217 B10R1.11 CCOC(=O)C1=CSC=C1 CS10526 [1,0,0,0,1,0|1,0,0]=3 218 B10R1.11 CCOC(=O)C1=NC=CN1 CS18245 [1,0,0,0,1,0|2,0,0]=4 219 B10R1.11 CCOC(=O)C1=NNC=C1 CS20723 [1,0,0,0,1,0|2,0,0]=4 220 B14R1.156 NCCCC(=O)OCc1ccccc1 MC436009 [0,0,0,0,0,2|2,0,0]=4 221 B14R1.156 NCCNC(=O)NCC1=CC=CC=C1 MC112506 [0,0,0,0,0,2|2,0,0]=4 222 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 CS11001 [0,0,0,0,0,2|2,0,0]=4 223 B14R1.156 NCCNC(=O)OCc1ccccc1 MC438390 [0,0,0,0,0,2|2,0,0]=4 224 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 CS13478 [0,0,0,0,0,2|2,0,0]=4 225 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 CS11002 [0,0,0,0,0,2|2,0,0]=4 226 B14R1.156 O=C(\C=C\C1=CC=CC=C1)NCCO MC445457 [0,0,0,0,0,2|2,0,0]=4