0 B13R2.57 N#CC1=NC2=C(C=CC=C2)C=C1 2820568 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.57 NCC1=CC=C2N=CC=NC2=C1 2224568 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 2224641 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.57 NNC1=CC=C2C=CC=CC2=N1 0138210067 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 2830630 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=N2 2831021 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 2821489 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 3670753 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 1361118 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 6871429 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 5012760 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 2827789 [1,0,0,0,0,0|0,0,0]=1 12 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 2827938 [1,0,0,0,0,0|1,0,0]=2 13 B12R2.24 FC1=CC2=CC=CC=C2C=C1 5011242 [1,0,0,0,0,0|1,0,0]=2 14 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 2828560 [1,0,0,0,0,0|1,0,1]=3 15 B12R2.24 O=C1C=NC2=CC=CC=C2N1 7020204758 [1,0,0,0,0,0|2,0,1]=4 16 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 2819404 [1,0,0,0,0,0|1,0,0]=2 17 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 2828139 [1,0,0,0,0,0|0,0,0]=1 18 B12R2.24 SC1=CC2=CC=CC=C2C=C1 1556415 [1,0,0,0,0,0|0,1,0]=2 19 B14R2.134 N#CC1=NC2=CC(Br)=CC=C2C=C1 3341627 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.134 NCC1=CC2=CC(F)=CC=C2C=N1 6935824 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.142 CCC1=CC=C2N=CC=C(O)C2=C1 0109850018 [0,1,0,0,0,0|2,0,0]=3 22 B14R2.142 COC1=CC=C2CCCC(=O)C2=C1 1202506 [0,1,0,0,0,0|0,0,3]=4 23 B14R2.142 COC1=CC=C2OCCC(=O)C2=C1 1781371 [0,1,0,0,0,0|1,0,2]=4 24 B14R2.781 CC(=O)C1=CC2=C(C=CC=C2)C=C1 2843791 [0,1,0,0,0,0|1,0,0]=2 25 B14R2.781 O=C(Cl)C1=CC2=C(C=CC=C2)C=C1 2895519 [0,1,0,0,0,0|2,0,0]=3 26 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 2845130 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 1576163 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.1019 CC1=CC(NN)=NC2=CC=CC=C12 0116110027 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.1128 CCC1=CC2=CC=CC=C2NC1=O 22430484 [0,1,0,0,0,0|2,0,0]=3 30 B14R2.1128 N#CC1=CC2=CC=CC=C2N=C1Cl 1049545 [0,1,0,0,0,0|3,0,0]=4 31 B14R2.1128 N#CC1=CC2=CC=CC=C2NC1=O 7020691436 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.1128 NCC1=CC2=CC=CC=C2NC1=O 1048787 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O 7020691350 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 1522010 [0,1,0,0,0,0|1,0,0]=2 35 B14R2.1801 N#CC1=NC2=CC=CC(Br)=C2C=C1 5975288 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.2332 COC1=CC2=C(C=C1)C=C(N)C=N2 1436707 [0,1,0,0,0,0|1,0,0]=2 37 B14R2.2332 O=CC1=NC2=CC=C(Cl)C=C2C=C1 1157220 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 11186114 [0,0,1,0,0,0|1,0,0]=2 39 B12R1.27 COC(=O)\C=C\C1=CN=CN=C1 7138612 [0,0,1,0,0,0|3,0,0]=4 40 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 2048921 [0,0,1,0,0,0|2,0,1]=4 41 B12R1.78 COC1=CC=C(OC)C(C=O)=C1 2048920 [0,0,1,0,0,0|2,0,1]=4 42 B12R1.270 C=CCC1=C(O)C=CC(OC)=C1 1392493 [0,0,1,0,0,0|1,0,1]=3 43 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 1902607 [0,0,1,0,0,0|1,0,2]=4 44 B12R1.371 COC(=O)CC1=C(F)C=CC=C1 1902759 [0,0,1,0,0,0|2,0,1]=4 45 B12R2.1 N#CC1=CNC2=CC=CC=C12 7213750154 [0,0,0,0,1,0|3,0,0]=4 46 B12R2.1 NCC1=CNC2=CC=CC=C12 7020690230 [0,0,0,0,1,0|3,0,0]=4 47 B12R2.1 O=CC1=CNC2=CC=CC=C12 1107042 [0,0,0,0,1,0|3,0,0]=4 48 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 1218388 [0,0,0,0,1,0|3,0,0]=4 49 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 2214407 [0,0,0,0,1,0|3,0,0]=4 50 B12R2.32 O=CC1=CC2=CC=CC=C2O1 1178897 [0,0,0,0,1,0|3,0,0]=4 51 B12R2.32 OCC1=CC2=C(C=CC=C2)O1 2828881 [0,0,0,0,1,0|3,0,0]=4 52 B12R2.44 COC1=CC2=C(C=C1)SC=N2 5023581 [0,0,0,0,1,0|2,0,0]=3 53 B12R2.44 COC1=CC=C2N=CNC2=C1 1088555 [0,0,0,0,1,0|2,0,0]=3 54 B12R2.44 COC1=CC=C2NC=CC2=C1 1270757 [0,0,0,0,1,0|1,0,0]=2 55 B12R2.44 COC1=CC=C2NC=NC2=C1 1088556 [0,0,0,0,1,0|2,0,0]=3 56 B12R2.44 COC1=NC2=C(C=C1)NC=C2 5750841 [0,0,0,0,1,0|2,0,0]=3 57 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 2819399 [0,0,0,0,1,0|3,0,0]=4 58 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 3668096 [0,0,0,0,1,0|3,0,0]=4 59 B11R1.91 C=C(C)COC1=CC=CC=C1 5914055 [1,0,1,0,0,0|1,0,1]=4 60 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 2129779 [1,0,1,0,0,0|1,0,0]=3 61 B11R1.91 CC(O)\C=C\C1=CC=CC=C1 3355102 [1,0,1,0,0,0|0,0,2]=4 62 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 5009290 [1,0,1,0,0,0|1,0,1]=4 63 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 4787343 [1,0,1,0,0,0|1,0,1]=4 64 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 7020400360 [1,0,1,0,0,0|1,0,0]=3 65 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 1314146 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.280 COC1=CC(C=O)=C(O)C=C1 2829311 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.40 COC(=O)CC1=CC=CC=C1 1902120 [1,0,1,0,0,0|1,0,1]=4 68 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 1902056 [1,0,1,0,0,0|1,0,0]=3 69 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 2826575 [2,0,0,0,0,0|1,0,0]=3 70 B11R2.20 C1=CC=C2C=CC=CC2=C1 2826500 [2,0,0,0,0,0|0,0,0]=2 71 B11R2.20 C1=CC=C2C=NC=CC2=C1 2826576 [2,0,0,0,0,0|1,0,0]=3 72 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 1781365 [0,1,1,0,0,0|1,0,1]=4 73 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 3676678 [0,1,1,0,0,0|1,0,0]=3 74 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 22430693 [0,1,1,0,0,0|1,0,0]=3 75 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 5916708 [0,1,1,0,0,0|2,0,0]=4 76 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 0123400502 [0,1,1,0,0,0|1,0,0]=3 77 B13R1.3 COC1=CC=C(\C=C\[N+](=O)[O-])C=C1 4802600 [0,1,1,0,0,0|2,0,0]=4 78 B13R1.418 CC\C(=C/C1=CC=CC=C1)C(=O)O 1048373 [0,1,1,0,0,0|2,0,0]=4 79 B13R1.575 COC1=CC(\C=C\C#N)=CC=C1O 7016234004 [0,1,1,0,0,0|1,0,1]=4 80 B13R1.643 COC1=CC=CC(\C=C\C(C)=O)=C1 2083749 [0,1,1,0,0,0|0,0,1]=3 81 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 3358330 [1,1,0,0,0,0|1,0,0]=3 82 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O 2821948 [1,1,0,0,0,0|0,0,1]=3 83 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 5662506 [1,1,0,0,0,0|1,0,0]=3 84 B13R2.162 CC1=CC=C2N=CC=C(O)C2=C1 3463635 [1,1,0,0,0,0|1,0,0]=3 85 B13R2.162 CC1=CC=C2N=CN=C(Cl)C2=C1 7216640719 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.162 CC1=CC=C2N=CN=C(N)C2=C1 0109790051 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.162 CC1=CC=C2N=CNC(=O)C2=C1 7017500007 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.162 CC1=CC=C2N=NC=C(O)C2=C1 6466404 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.162 CC1=CC=C2N=NC=C(S)C2=C1 11639049 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.162 NC1=C2NC(=O)C=CC2=CC=C1 3671265 [1,1,0,0,0,0|1,0,1]=4 91 B13R2.162 NC1=C2OC(=O)C=CC2=CC=C1 2204903 [1,1,0,0,0,0|1,0,1]=4 92 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 5973141 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.162 OC1=CC=NC2=CC=C(Cl)C=C12 1197568 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.328 CC1=CC(=O)C2=CC=CC=C2N1 2822318 [1,1,0,0,0,0|1,0,0]=3 95 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 7020542482 [1,1,0,0,0,0|2,0,0]=4 96 B13R2.328 CC1=NC(O)=C2C=CC=CC2=N1 7119572490 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 1088486 [1,1,0,0,0,0|1,0,0]=3 98 B13R2.328 O=C1C=C(O)C2=CC=CC=C2N1 7020542827 [1,1,0,0,0,0|1,0,1]=4 99 B13R2.369 CC1=CC2=C(C=CC=C2)N=C1Cl 7118560783 [1,1,0,0,0,0|1,0,0]=3 100 B13R2.369 CC1=CC2=CC=CC=C2NC1=O 2630813 [1,1,0,0,0,0|1,0,0]=3 101 B13R2.3683 NC1=CC2=C(C=C1)OC(=O)C=C2 2212473 [1,1,0,0,0,0|1,0,1]=4 102 B13R2.3683 OC1=CC2=C(C=C1)C=C(Br)C=C2 1259086 [1,1,0,0,0,0|0,0,0]=2 103 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 22430517 [1,1,0,0,0,0|0,0,0]=2 104 B13R2.5179 OC1=CN=CC2=C1C=CC(Cl)=C2 4401431 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.1 NCCC1=CNC2=C1C=CC=C2 2832112 [0,1,0,0,1,0|2,0,0]=4 106 B13R2.1 NCCC1=COC2=CC=CC=C12 1499599 [0,1,0,0,1,0|2,0,0]=4 107 B13R2.26 NCCC1=CC2=C(C=CC=C2)O1 1178796 [0,1,0,0,1,0|2,0,0]=4 108 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 1178898 [0,1,0,0,1,0|2,0,0]=4 109 B13R2.449 NCCC1=CC=C2NC=CC2=C1 3742121 [0,1,0,0,1,0|2,0,0]=4 110 B13R2.669 COC1=CC=C2CCC(=O)C2=C1 1202557 [0,1,0,0,1,0|0,0,2]=4 111 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 8563157 [0,1,0,0,1,0|2,0,0]=4 112 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 3504241 [0,1,0,0,1,0|2,0,0]=4 113 B13R2.2121 COC1=CC=C2N=C(N)SC2=C1 7013060760 [0,1,0,0,1,0|2,0,0]=4 114 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 1201647 [0,1,0,0,1,0|1,0,0]=3 115 B13R2.2121 COC1=CC=C2SC(N)=NC2=C1 3677752 [0,1,0,0,1,0|2,0,0]=4 116 B15R2.627 CC(=O)C1=C(O)C2=CC=CC=C2C=C1 2125383 [0,2,0,0,0,0|1,0,0]=3 117 B15R2.2115 COC1=CC=C2C=CC=CC2=C1C=O 7020401742 [0,2,0,0,0,0|0,0,0]=2 118 B15R2.352 N#CCCC1=CC=C2C=CC=CC2=N1 3338615 [0,2,0,0,0,0|2,0,0]=4 119 B15R2.352 N#CCOC1=CC2=CC=CC=C2C=C1 7012350677 [0,2,0,0,0,0|0,0,0]=2 120 B15R2.888 ClCCC1=CC2=CC=CC=C2N=C1Cl 1049754 [0,2,0,0,0,0|2,0,0]=4 121 B15R2.888 NCCC1=CC2=CC=CC=C2NC1=O 1048832 [0,2,0,0,0,0|2,0,0]=4 122 B15R2.1290 CCOC1=CC=C2N=CC=C(O)C2=C1 0109850006 [0,2,0,0,0,0|1,0,0]=3 123 B15R2.1601 COC(=O)C1=CC=C2C=NC=CC2=C1 6923426 [0,2,0,0,0,0|1,0,0]=3 124 B15R2.1601 O=C(CBr)C1=CC2=C(C=CC=C2)C=C1 2740322 [0,2,0,0,0,0|1,0,0]=3 125 B15R2.1601 O=C(CO)C1=CC2=CC=CC=C2C=C1 8511667 [0,2,0,0,0,0|1,0,0]=3 126 B15R2.4776 COC1=CC=C2C=CC(C=O)=CC2=C1 11186697 [0,2,0,0,0,0|0,0,0]=2 127 B15R2.4776 COC1=CC=C2C=CC(CO)=CC2=C1 6493410 [0,2,0,0,0,0|0,0,0]=2 128 B15R2.21336 COC1=CC=C2C=C(C)C(=O)NC2=C1 3463693 [0,2,0,0,0,0|1,0,0]=3 129 B15R2.21336 COC1=CC=C2C=C(C)C(Cl)=NC2=C1 1151708 [0,2,0,0,0,0|1,0,0]=3 130 B15R2.21336 COC1=CC=C2N=C(Cl)C(C)=CC2=C1 1151709 [0,2,0,0,0,0|1,0,0]=3 131 B15R2.21336 COC1=CC=C2NC(=O)C(C)=CC2=C1 3463694 [0,2,0,0,0,0|1,0,0]=3 132 B15R2.89396 COC1=CC2=C(C=C1)C(C)=CC(S)=N2 0113430012 [0,2,0,0,0,0|1,0,0]=3 133 B15R2.89396 COC1=CC=C2C(=O)OC(=O)NC2=C1 7138618 [0,2,0,0,0,0|2,0,0]=4 134 B15R2.89396 COC1=CC=C2C(C)=CC(=O)OC2=C1 3463569 [0,2,0,0,0,0|1,0,0]=3 135 B15R2.4846 COC1=CC2=C(C=CN=C2C=O)C=C1 4388342 [0,2,0,0,0,0|1,0,0]=3 136 B15R2.21329 COC1=CC=C2N=C(C)C=C(Cl)C2=C1 0112830080 [0,2,0,0,0,0|1,0,0]=3 137 B15R2.984 CC(O)C1=CC2=CC=CC=C2N=C1Cl 1085263 [0,2,0,0,0,0|2,0,0]=4 138 B15R2.984 NC1=C(C(=O)O)C=C2C=CC=CC2=C1 2930191 [0,2,0,0,0,0|2,0,0]=4 139 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O 2931551 [0,2,0,0,0,0|2,0,0]=4 140 B15R2.4441 O=S(=O)([O-])C1=CC2=CC=CC=C2C=C1 22430639 [0,2,0,0,0,0|1,1,0]=4 141 B15R2.4780 COC1=CC=C2N=C(C=O)C=CC2=C1 3338787 [0,2,0,0,0,0|1,0,0]=3 142 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 7020410006 [0,0,1,1,0,0|2,0,0]=4 143 B15R3.4266 C1=CC=C2N=C3NCCC3=CC2=C1 7020431182 [0,1,0,1,0,0|2,0,0]=4 144 B15R3.4266 C1=CC=C2N=C3OCCC3=CC2=C1 1113846 [0,1,0,1,0,0|1,0,0]=3 145 B11R1.25 COC(=O)\C=C\C1=CC=CS1 5917968 [0,0,1,0,1,0|2,0,0]=4 146 B11R1.25 COC(=O)\C=C\C1=CSC=C1 6902370 [0,0,1,0,1,0|2,0,0]=4 147 B11R1.222 COC(=O)C1=C(F)C=CC=C1 2829710 [0,0,1,0,1,0|2,0,0]=4 148 B11R1.222 COC(=O)C1=C(N)C=CC=C1 1867348 [0,0,1,0,1,0|2,0,0]=4 149 B11R1.222 COC(=O)C1=C(N)C=CC=C1 7138607 [0,0,1,0,1,0|2,0,0]=4 150 B11R1.222 COC(=O)C1=C(O)C=CC=C1 1311035 [0,0,1,0,1,0|2,0,0]=4 151 B11R1.222 COC(=O)C1=C(S)C=CC=C1 2824881 [0,0,1,0,1,0|2,0,0]=4 152 B11R1.222 COC(=O)C1=CC=CC=C1C 2084120 [0,0,1,0,1,0|1,0,1]=4 153 B11R1.222 COC(=O)C1=CC=CC=C1Cl 2084248 [0,0,1,0,1,0|2,0,0]=4 154 B11R2.1 CN1C=CC2=C1C=CC=C2 2826786 [1,0,0,0,1,0|1,0,0]=3 155 B11R2.1 CN1C=CC2=NC=CC=C21 9078833 [1,0,0,0,1,0|2,0,0]=4 156 B11R2.1 OC1=NNC2=CC=CC=C21 7020542804 [1,0,0,0,1,0|2,0,0]=4 157 B11R2.1 OC1=NOC2=CC=CC=C21 5011377 [1,0,0,0,1,0|2,0,0]=4 158 B11R2.10 CC1=CC2=CC=CC=C2N1 7210741752 [1,0,0,0,1,0|1,0,0]=3 159 B11R2.10 CC1=CC2=CC=CC=C2S1 3504244 [1,0,0,0,1,0|1,0,0]=3 160 B11R2.10 CC1=NC2=C(C=CC=C2)S1 2829019 [1,0,0,0,1,0|2,0,0]=4 161 B11R2.36 BrC1=CC=C2C=COC2=C1 5987474 [1,0,0,0,1,0|2,0,0]=4 162 B11R2.36 BrC1=CC=C2NC=CC2=C1 1270760 [1,0,0,0,1,0|2,0,0]=4 163 B11R2.36 CC1=CC2=C(C=C1)C=NN2 5972850 [1,0,0,0,1,0|2,0,0]=4 164 B11R2.36 CC1=CC=C2C=COC2=C1 5662510 [1,0,0,0,1,0|1,0,0]=3 165 B11R2.36 CC1=CC=C2NC=NC2=C1 1435596 [1,0,0,0,1,0|2,0,0]=4 166 B11R2.36 CC1=CC=C2NN=CC2=C1 3488470 [1,0,0,0,1,0|2,0,0]=4 167 B11R2.36 CC1=CN2C=CN=C2C=C1 6923455 [1,0,0,0,1,0|2,0,0]=4 168 B11R2.36 NC1=CC=C2C=CNC2=C1 15386187 [1,0,0,0,1,0|2,0,0]=4 169 B11R2.36 NC1=CC=C2NC=CC2=C1 2204771 [1,0,0,0,1,0|2,0,0]=4 170 B11R2.36 OC1=CC=C2N=CNC2=C1 1088557 [1,0,0,0,1,0|2,0,0]=4 171 B11R2.36 OC1=CC=C2NC=NC2=C1 1088558 [1,0,0,0,1,0|2,0,0]=4 172 B11R2.36 OC1=CC=C2OC=NC2=C1 2085770 [1,0,0,0,1,0|2,0,0]=4