0 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O Z32024396 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.17 CCNC(C)C1=CC(=CC=C1)O Z3479644552 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O Z1198723489 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.17 COCC(=O)C1=CC(=CC=C1)Cl Z447898040 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.17 COCC(O)C1=CC(=CC=C1)N Z970071366 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.17 N#CCC(O)C1=CC(=CC=C1)Cl Z1255429594 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.16 CCCC(N)C1=NC=CC=C1 Z513795928 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.23 CC(CN)C1=CC(=CC=C1)Br Z5094147873 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.23 CC(CN)C1=CC(=CC=C1)F Z415654914 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.23 CC(CN)C1=CC=CC(=O)N1 Z4656721256 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.23 CC(CO)C1=CC(=CC=C1)Br Z1269177166 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.23 CC(CO)C1=CC(=CC=C1)Cl Z1222424631 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.23 CC1=CC(=CC=C1)C(=O)CN Z3026469451 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.23 CC1=CC(=CC=C1)C(O)CN Z336086464 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.23 CCC(=O)C1=CC(=CC=C1)Br Z104486266 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.23 CCC(=O)C1=CC(=CC=C1)Cl Z104477758 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.23 CCC(=O)C1=CC(=CC=C1)N Z1203578334 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.23 CCC(N)C1=CC(=CC=C1)Cl Z239627026 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.23 CCC(N)C1=CC(=CC=C1)O Z4164634595 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.23 CCC(N)C1=NC(=CC=C1)C Z4457910024 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.23 CCC(O)C1=CC(=CC=C1)Br Z228586280 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.23 CCC(O)C1=CC(=CC=C1)Cl Z335245132 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.23 CCC(O)C1=CC(=CC=C1)N Z1262626036 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.23 CNC(=O)C1=CC(=CC=C1)Cl Z32016383 [1,0,0,0,0,0|1,0,2]=4 38 B11R1.23 CNC(=O)C1=CC(=CC=C1)F Z32016733 [1,0,0,0,0,0|1,0,2]=4 39 B11R1.23 CNC(=O)C1=CC(=CC=C1)N Z57040519 [1,0,0,0,0,0|1,0,2]=4 40 B11R1.23 CNC(=O)C1=CC(=CC=C1)O Z32016364 [1,0,0,0,0,0|0,0,2]=3 41 B11R1.23 CNC(=O)C1=NC=CC(=C1)O Z1255501342 [1,0,0,0,0,0|1,0,2]=4 42 B11R1.23 CNC(C)C1=CC(=CC=C1)Cl Z159528162 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.23 CNC(C)C1=CC(=CC=C1)O Z1266854844 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.23 COC(C)C1=CC(=CC=C1)N Z801781454 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.23 CSC(C)C1=CC(=CC=C1)N Z801781922 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.23 NC(CF)C1=CC(=CC=C1)Br Z3210128314 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.23 NC(CF)C1=CC(=CC=C1)Cl Z3445798142 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.23 NC(CF)C1=CC(=CC=C1)F Z3681214901 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.23 NC(CO)C1=CC(=CC=C1)Br Z1438483917 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.23 NC(CO)C1=CC(=CC=C1)Cl Z1695784092 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.23 NC(CO)C1=CC(=CC=C1)F Z1268152384 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.23 NC(CO)C1=CC(=CC=C1)I Z3605387233 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.23 NC(CO)C1=CC(=CC=C1)O Z3247611804 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.23 NC1=CC(=CC=C1)C(O)CO Z970072128 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.23 NCC(=O)C1=CC(=CC=C1)Br Z275368900 [1,0,0,0,0,0|1,0,2]=4 56 B11R1.23 NCC(=O)C1=CC(=CC=C1)Cl Z1741966377 [1,0,0,0,0,0|1,0,2]=4 57 B11R1.23 NCC(=O)C1=CC(=CC=C1)F Z3025863838 [1,0,0,0,0,0|1,0,2]=4 58 B11R1.23 NCC(O)C1=CC(=CC=C1)Cl Z330910384 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.23 NCC(O)C1=CC(=CC=C1)O Z3041501762 [1,0,0,0,0,0|0,0,0]=1 60 B11R1.23 NNC(=O)C1=CC(=CC=C1)O Z56930730 [1,0,0,0,0,0|1,0,2]=4 61 B11R1.23 O=C(NO)C1=CC(=CC=C1)O Z317038072 [1,0,0,0,0,0|1,0,2]=4 62 B11R1.24 C#CCOC1=CC=CC(=C1)O Z381415784 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.24 CCCOC1=CC(=CC=C1)Br Z54848718 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.24 CCCOC1=CC(=CC=C1)N Z239604770 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.24 CCCOC1=CC(=CC=C1)O Z381415572 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.24 CCNCC1=CC(=CC=C1)Br Z1138763375 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.24 CCNCC1=CC(=CC=C1)C Z90513252 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.24 CCNCC1=CC(=CC=C1)Cl Z90513201 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.24 CCNCC1=CC(=CC=C1)F Z85935746 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.24 CCOCC1=CC(=CC=C1)N Z285163820 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.24 CCSCC1=CC(=CC=C1)N Z332378038 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.24 CNCCC1=CC(=CC=C1)Br Z2168282744 [1,0,0,0,0,0|1,0,0]=2 76 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [1,0,0,0,0,0|0,0,0]=1 77 B11R1.24 CNCCC1=NC(=CC=N1)O Z3023572741 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [1,0,0,0,0,0|1,0,0]=2 79 B11R1.24 COCCC1=CC(=NC=C1)N Z1333211037 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.24 N#CCOC1=CC=CC(=C1)O Z381415714 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [1,0,0,0,0,0|3,0,0]=4 88 B13R1.18 CCCNC(=O)C1=CC(=CC=C1)O Z33030404 [0,1,0,0,0,0|1,0,2]=4 89 B13R1.18 CCCOC(=O)C1=CC(=CC=C1)O Z53833422 [0,1,0,0,0,0|1,0,2]=4 90 B13R1.18 CCNCC(C)C1=CC(=CC=C1)Br Z3196419994 [0,1,0,0,0,0|2,0,0]=3 91 B13R1.18 CCNCC(O)C1=CC(=CC=C1)O Z56836691 [0,1,0,0,0,0|0,0,0]=1 92 B13R1.22 COC(=O)C(O)C1=CC(=CC=C1)C Z965047474 [0,1,0,0,0,0|2,0,1]=4 93 B13R1.22 COC(=O)C(O)C1=CC(=CC=C1)Cl Z965047532 [0,1,0,0,0,0|2,0,1]=4 94 B13R1.22 COC(=O)C(O)C1=CC(=CC=C1)I Z2031668793 [0,1,0,0,0,0|2,0,1]=4 95 B13R1.147 CC1=CC=CC(=C1)C(N)CN(C)C Z802853060 [0,1,0,0,0,0|2,0,0]=3 96 B13R1.147 NC(CC(=O)O)C1=CC(=CC=C1)O Z352252742 [0,1,0,0,0,0|3,0,0]=4 97 B13R1.147 O=C(O)CC(O)C1=CC(=CC=C1)F Z982132016 [0,1,0,0,0,0|3,0,0]=4 98 B13R1.460 CCNC(C)C1=CC(=CC=C1)OC Z398513626 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.460 COCC(N)C1=CC(=CC=C1)C#N Z2848261157 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.466 CCCC(N)C1=CC(=C(C=C1)Br)F Z5496163501 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.466 CCCC(N)C1=CC(=C(C=C1)Cl)Cl Z1262246201 [0,1,0,0,0,0|3,0,0]=4 102 B13R1.466 CNCC(O)C1=CC(=C(C=C1)O)C Z1262591397 [0,1,0,0,0,0|1,0,0]=2 103 B13R1.466 CNC[C@@H](O)C1=CC(=C(C=C1)O)O Z1198154207 [0,1,0,0,0,0|0,0,0]=1 104 B13R1.466 CNC[C@H](O)C1=CC(=C(C=C1)O)O Z1255449978 [0,1,0,0,0,0|0,0,0]=1 105 B13R1.466 NCCC(O)C1=CC(=C(C=C1)Cl)Cl Z1258890570 [0,1,0,0,0,0|3,0,0]=4 106 B13R2.13 BrC1=CC(=CC=C1)C2CCCN2 Z295459704 [0,0,0,1,0,0|3,0,0]=4 107 B13R2.13 BrC1=CC(=CC=C1)C2CCNC2 Z1269121156 [0,0,0,1,0,0|2,0,0]=3 108 B13R2.13 CC1=CC(=CC=C1)C2CCCN2 Z281773884 [0,0,0,1,0,0|3,0,0]=4 109 B13R2.13 CC1=CC(=CC=C1)C2CCNC2 Z940902750 [0,0,0,1,0,0|2,0,0]=3 110 B13R2.13 CC1=CC(=NC=C1)C2CCNC2 Z2235810284 [0,0,0,1,0,0|3,0,0]=4 111 B13R2.13 ClC1=CC(=CC=C1)C2CCCN2 Z234895217 [0,0,0,1,0,0|3,0,0]=4 112 B13R2.13 ClC1=CC(=CC=C1)C2CCNC2 Z2213893356 [0,0,0,1,0,0|2,0,0]=3 113 B13R2.13 ClC1=CC(=CC=C1)[C@@H]2CCNC2 Z3490779832 [0,0,0,1,0,0|2,0,0]=3 114 B13R2.13 ClC1=CC(=CC=C1)[C@H]2CCNC2 Z3492371639 [0,0,0,1,0,0|2,0,0]=3 115 B13R2.13 FC1=CC(=CC=C1)C2CCCN2 Z752370692 [0,0,0,1,0,0|3,0,0]=4 116 B13R2.13 FC1=CC(=CC=C1)C2CCNC2 Z940902748 [0,0,0,1,0,0|2,0,0]=3 117 B13R2.13 FC1=CC(=CN=C1)C2CCNC2 Z2235682540 [0,0,0,1,0,0|3,0,0]=4 118 B13R2.13 IC1=CC(=CC=C1)C2CCCN2 Z362776598 [0,0,0,1,0,0|3,0,0]=4 119 B13R2.13 NC1=CC(=CC=C1)C2CCCC2 Z3490415509 [0,0,0,1,0,0|3,0,0]=4 120 B13R2.13 OC1=CC(=CC=C1)C2CCCC2 Z1485998351 [0,0,0,1,0,0|2,0,0]=3 121 B13R2.13 OC1=CC(=CC=C1)C2CCNC2 Z2489057895 [0,0,0,1,0,0|1,0,0]=2 122 B13R2.13 OC1=CC(=CC=C1)N2CCCC2 Z1198149223 [0,0,0,1,0,0|3,0,0]=4 123 B13R2.151 O=C1CC(N1)C2=CC=CC(=C2)O Z3227055565 [0,0,0,1,0,0|3,0,0]=4 124 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N Z2130641406 [0,0,0,1,0,0|3,0,0]=4 125 B13R2.162 NC1=CC2=C(C=C1)CCCC2N Z1262631299 [0,0,0,1,0,0|3,0,0]=4 126 B13R2.162 NC1CCCC2=C1C=C(C=C2)Br Z3234892335 [0,0,0,1,0,0|3,0,0]=4 127 B13R2.162 NC1CCCC2=C1C=C(C=C2)F Z1008463750 [0,0,0,1,0,0|3,0,0]=4 128 B13R2.162 N[C@@H]1CCOC2=C1C=C(C=C2)O Z3353639073 [0,0,0,1,0,0|3,0,0]=4 129 B13R2.162 O=C1CCCC2=C1C=C(C=C2)O Z1198156579 [0,0,0,1,0,0|1,0,2]=4 130 B13R2.162 OC1CCCC2=C1C=C(C=C2)Cl Z1008483484 [0,0,0,1,0,0|2,0,0]=3 131 B13R2.162 OC1CCOC2=C1C=C(C=C2)Br Z235448344 [0,0,0,1,0,0|3,0,0]=4 132 B13R2.342 CC1CCNC2=C1C=CC=C2O Z1718362003 [0,0,0,1,0,0|3,0,0]=4 133 B13R2.342 NC1=C2OCCC(C2=CC=C1)O Z1463271034 [0,0,0,1,0,0|3,0,0]=4 134 B13R2.342 NC1CCCC2=C1C=CC=C2F Z2230911457 [0,0,0,1,0,0|3,0,0]=4 135 B13R2.342 NC1CCCC2=C1C=CC=C2O Z1262626223 [0,0,0,1,0,0|2,0,0]=3 136 B13R2.342 OC1=CC=CC2=C1CCCC2O Z104511134 [0,0,0,1,0,0|1,0,0]=2 137 B13R2.342 OC1CCOC2=C1C=CC=C2Cl Z1255439653 [0,0,0,1,0,0|3,0,0]=4 138 B13R2.342 O[C@@H]1CCOC2=C1C=CC=C2F Z959151608 [0,0,0,1,0,0|3,0,0]=4 139 B13R2.342 O[C@H]1CCOC2=C1C=CC=C2F Z959151606 [0,0,0,1,0,0|3,0,0]=4 140 B13R2.3018 CC1=CC(=CC=C1)C2(CCC2)N Z2429425673 [0,0,0,1,0,0|3,0,0]=4 141 B13R2.3018 NC1(CCC1)C2=CC(=CC=C2)Br Z390131110 [0,0,0,1,0,0|3,0,0]=4 142 B13R2.3018 NC1(CCC1)C2=CC(=CC=C2)F Z2429425722 [0,0,0,1,0,0|3,0,0]=4 143 B13R2.3018 NC1=CC(=CC=C1)C2(CCC2)N Z5064892725 [0,0,0,1,0,0|3,0,0]=4 144 B13R2.3018 OC1(CNC1)C2=CC(=CC=C2)Br Z1551923504 [0,0,0,1,0,0|1,0,0]=2 145 B13R2.3018 OC1(CNC1)C2=CC(=CC=C2)F Z3487915997 [0,0,0,1,0,0|1,0,0]=2 146 B13R2.4857 CC1=CC=CC2=C1C(CC2O)C Z1157838209 [0,0,0,1,0,0|2,0,0]=3 147 B13R2.5187 CC1=NN(C2=C1C=C(C=C2)O)C Z1618029059 [0,0,0,1,0,0|2,0,1]=4 148 B13R2.5187 CN1N=C(C2=C1C=CC(=C2)I)O Z3244929939 [0,0,0,1,0,0|2,0,1]=4 149 B11R1.199 CNCC(O)C1=CC=NN1C Z1269754900 [0,0,0,0,1,0|3,0,0]=4 150 B13R1.20 CNCC(=O)NC1=CC(=CC=C1)Cl Z1238477752 [0,0,0,0,0,1|1,0,2]=4 151 B13R1.20 CNCC(=O)NC1=CC(=CC=C1)F Z56963375 [0,0,0,0,0,1|1,0,2]=4 152 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [2,0,0,0,0,0|1,0,1]=4 153 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [2,0,0,0,0,0|0,0,2]=4 154 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.15 CC(CN)C1=CC=NC=C1 Z415654978 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [2,0,0,0,0,0|0,0,2]=4 157 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [2,0,0,0,0,0|1,0,0]=3 158 B10R1.15 CCC(N)C1=CC=NC=C1 Z228583312 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [2,0,0,0,0,0|0,0,0]=2 160 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [2,0,0,0,0,0|1,0,0]=3 161 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [2,0,0,0,0,0|1,0,1]=4 162 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [2,0,0,0,0,0|0,0,2]=4 163 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [2,0,0,0,0,0|1,0,0]=3 164 B10R1.15 CNC(C)C1=CN=CC=C1 Z451350188 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.15 CNC(C)C1=NC=CC=C1 Z451350194 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [2,0,0,0,0,0|0,0,2]=4 169 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [2,0,0,0,0,0|1,0,0]=3 170 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [2,0,0,0,0,0|0,0,0]=2 171 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [2,0,0,0,0,0|1,0,0]=3 172 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [2,0,0,0,0,0|1,0,0]=3 173 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [2,0,0,0,0,0|1,0,0]=3 178 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [2,0,0,0,0,0|0,0,0]=2 180 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [2,0,0,0,0,0|1,0,0]=3 181 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [2,0,0,0,0,0|1,0,0]=3 182 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [2,0,0,0,0,0|1,0,0]=3 183 B10R1.17 CNCCC1=NC=CC=N1 Z3023337072 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [2,0,0,0,0,0|1,0,0]=3 185 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.10 CC1=CC(=CC=C1)CCN Z241056516 [2,0,0,0,0,0|1,0,0]=3 191 B10R1.10 CC1=NC(=CC=C1)CCN Z1098234194 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.10 CCCC1=CC(=CC=C1)Br Z1541586975 [2,0,0,0,0,0|1,0,0]=3 193 B10R1.10 CCNC1=CC(=CC=C1)Br Z1217910559 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.10 CCNC1=CC(=CC=C1)C Z56785946 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.10 CCNC1=CC(=CC=C1)Cl Z286371690 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.10 CCOC1=CC(=CC=C1)Br Z53833934 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.10 CCOC1=CC(=CC=C1)I Z54181578 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.10 CCSC1=CC(=CC=C1)Br Z1090207966 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.10 CCSC1=CC(=CC=C1)N Z600393424 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.10 CNCC1=CC(=CC=C1)C Z102766992 [2,0,0,0,0,0|1,0,0]=3 201 B10R1.10 CNCC1=CC(=CC=C1)Cl Z56963343 [2,0,0,0,0,0|1,0,0]=3 202 B10R1.10 CNCC1=CC(=CC=C1)F Z56946085 [2,0,0,0,0,0|1,0,0]=3 203 B10R1.10 CNCC1=CC(=CC=C1)I Z3302798080 [2,0,0,0,0,0|1,0,0]=3 204 B10R1.10 CNCC1=CC(=CC=C1)O Z102766970 [2,0,0,0,0,0|0,0,0]=2 205 B10R1.10 CNCC1=CC(=CN=C1)Br Z5095377359 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.10 CNCC1=CC=CC(=O)N1 Z2895739022 [2,0,0,0,0,0|1,0,1]=4 207 B10R1.10 CNCC1=NC(=CC=C1)C Z1255523287 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.10 CNCC1=NC=CC(=C1)C Z5443664854 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.10 CNCC1=NC=CC(=C1)Cl Z3214695745 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.10 COCC1=CC(=CC=C1)N Z285163816 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.10 COCC1=CC(=CC=C1)O Z821093526 [2,0,0,0,0,0|1,0,0]=3 212 B10R1.10 CSCC1=CC(=CC=C1)Br Z17129082 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.10 CSCC1=CC(=CC=C1)N Z732207152 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.10 N#CCC1=CC=CC(=C1)O Z1198161712 [2,0,0,0,0,0|0,0,2]=4 215 B10R1.10 NC1=CC(=CC=C1)CCO Z1198160776 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.10 NCCC1=CC(=CC=C1)Br Z285143760 [2,0,0,0,0,0|1,0,0]=3 217 B10R1.10 NCCC1=CC(=CC=C1)Cl Z57051063 [2,0,0,0,0,0|1,0,0]=3 218 B10R1.10 NCCC1=CC(=CC=C1)F Z96092963 [2,0,0,0,0,0|1,0,0]=3 219 B10R1.10 NCCC1=CC(=CC=C1)I Z4874662549 [2,0,0,0,0,0|1,0,0]=3 220 B10R1.10 NCCC1=CC(=CC=C1)O Z935140764 [2,0,0,0,0,0|0,0,0]=2 221 B10R1.10 NCCC1=CC(=CN=C1)O Z1504671788 [2,0,0,0,0,0|1,0,0]=3 222 B10R1.10 NCCC1=CC(=NC=C1)N Z2310698980 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.10 NCCC1=NC=NC(=C1)O Z2310716008 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.10 NOCC1=CC(=CC=C1)Cl Z1198339567 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.10 OCCC1=CC(=CC=C1)Cl Z992289382 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.10 OCCC1=CC(=CC=C1)F Z397587224 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.113 CC(C)C1=CC(=CC=C1)O Z104492878 [2,0,0,0,0,0|1,0,0]=3 228 B10R1.113 CC(C)C1=NC=CC(=C1)O Z1255384308 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.113 CC(N)C1=CC(=CC=C1)Br Z239626864 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.113 CC(N)C1=CC(=CC=C1)Cl Z56347061 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.113 CC(N)C1=CC(=CC=C1)F Z56347483 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.113 CC(N)C1=CC(=CC=C1)O Z426041632 [2,0,0,0,0,0|1,0,0]=3 233 B10R1.113 CC(O)C1=CC(=CC=C1)Cl Z335244960 [2,0,0,0,0,0|1,0,0]=3 234 B10R1.113 CC(O)C1=CC(=CC=C1)F Z335245218 [2,0,0,0,0,0|1,0,0]=3 235 B10R1.113 CC(O)C1=CC(=CC=C1)O Z335245176 [2,0,0,0,0,0|0,0,0]=2 236 B10R1.113 CC(O)C1=CC(=CN=C1)F Z823275188 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.113 CC1=CC=CC(=C1)C(C)N Z2284390656 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.113 CC1=CC=CC(=C1)C(C)O Z445987122 [2,0,0,0,0,0|1,0,0]=3 239 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)N Z1626921284 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)O Z1127664487 [2,0,0,0,0,0|1,0,0]=3 241 B10R1.113 CC1=CC=CC(=C1)[C@H](C)N Z1626921239 [2,0,0,0,0,0|2,0,0]=4 242 B10R1.113 CC1=CC=CC(=C1)[C@H](C)O Z1127664373 [2,0,0,0,0,0|1,0,0]=3 243 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)Br Z803153182 [2,0,0,0,0,0|1,0,0]=3 244 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)Cl Z360055382 [2,0,0,0,0,0|1,0,0]=3 245 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)O Z959151708 [2,0,0,0,0,0|0,0,0]=2 246 B10R1.113 C[C@H](O)C1=CC(=CC=C1)Br Z803153180 [2,0,0,0,0,0|1,0,0]=3 247 B10R1.113 C[C@H](O)C1=CC(=CC=C1)Cl Z360055386 [2,0,0,0,0,0|1,0,0]=3 248 B10R1.113 C[C@H](O)C1=CC(=CC=C1)O Z959151706 [2,0,0,0,0,0|0,0,0]=2 249 B10R1.113 N=C(N)C1=CC(=CC=C1)O Z1592024758 [2,0,0,0,0,0|1,0,1]=4 250 B10R1.113 NC(=O)C1=CC(=CC=C1)O Z33546460 [2,0,0,0,0,0|0,0,2]=4 251 B10R1.113 O=C(O)C1=CC(=CC=C1)O Z56919254 [2,0,0,0,0,0|1,0,1]=4 252 B10R1.113 OB(O)C1=CC(=CC=C1)O Z336080002 [2,0,0,0,0,0|2,0,0]=4 253 B12R1.3 CCCC(C=O)C1=CC=CC=C1 Z1251357295 [1,1,0,0,0,0|1,0,1]=4 254 B12R1.16 CCCC(N)C1=CC=C(C=C1)Cl Z1416203204 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.16 CNCC(O)C1=CC=C(C=C1)F Z1263820285 [1,1,0,0,0,0|0,0,0]=2 256 B12R1.16 COCC(N)C1=CC=C(C=C1)F Z1297772361 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.30 CCCCC(O)C1=CC=CC=C1 Z445987132 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 Z1642061107 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 Z1127664488 [1,1,0,0,0,0|1,0,0]=3 260 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 Z1649893428 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 Z1127664374 [1,1,0,0,0,0|1,0,0]=3 262 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.30 CCNCC(N)C1=CC=CC=C1 Z756920572 [1,1,0,0,0,0|1,0,0]=3 264 B12R1.30 CNCCN(C)C1=CC=CC=C1 Z335286914 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.30 COCCC(O)C1=CC=CC=C1 Z818738046 [1,1,0,0,0,0|1,0,0]=3 266 B12R1.30 NC(CCCO)C1=CC=CC=C1 Z1245735325 [1,1,0,0,0,0|2,0,0]=4 267 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 Z594038166 [1,1,0,0,0,0|1,0,1]=4 270 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 Z1203869997 [1,1,0,0,0,0|0,0,1]=3 271 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 Z19752945 [1,1,0,0,0,0|1,0,1]=4 272 B12R1.39 CC(O)(CCN)C1=CC=CC=C1 Z1182310345 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.39 CNCC(F)(F)C1=CC=CC=C1 Z5719431865 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.39 COCC(C)(N)C1=CC=CC=C1 Z992444342 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.39 COCC(C)(O)C1=CC=CC=C1 Z992444182 [1,1,0,0,0,0|1,0,0]=3 276 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 Z85929891 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.107 CC(C)CC(O)C1=NC=CC=C1 Z513749474 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 Z1262623600 [1,1,0,0,0,0|1,0,0]=3 280 B12R1.107 CN(C)CC(N)C1=CN=CC=C1 Z5022208875 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [1,1,0,0,0,0|2,0,0]=4 282 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.308 CCCC(O)C1=C(C=CC=C1)Cl Z733415366 [1,1,0,0,0,0|1,0,0]=3 284 B12R1.10 CC(C)(CN)C1=CC(=CC=C1)Br Z725146618 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.10 CC(C)(CN)C1=CC(=CC=C1)Cl Z725146492 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.10 CC(C)(CN)C1=CC(=CC=C1)F Z725146550 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.10 CC(N)(CO)C1=CC(=CC=C1)O Z2111443115 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.10 CC1=CC(=CC=C1)C(C)(C)CN Z725146606 [1,1,0,0,0,0|2,0,0]=4 289 B12R1.10 NCC(F)(F)C1=CC(=CC=C1)F Z2515207618 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.13 CCN(CC)C1=CC(=CC=C1)O Z104473836 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.13 CNC(CO)C1=CC(=CC=C1)Br Z734147362 [1,1,0,0,0,0|1,0,0]=3 292 B12R1.13 CNC(CO)C1=CC(=CC=C1)F Z734147282 [1,1,0,0,0,0|1,0,0]=3 293 B12R1.13 COC(CN)C1=CC(=CC=C1)Cl Z1270462953 [1,1,0,0,0,0|1,0,0]=3 294 B12R1.13 COC(CN)C1=CC(=CC=C1)F Z4182331225 [1,1,0,0,0,0|1,0,0]=3 295 B12R1.13 CSC(CN)C1=CC(=CC=C1)Cl Z838201342 [1,1,0,0,0,0|1,1,0]=4 296 B12R1.13 OCC(CO)C1=CC(=CC=C1)F Z1259339659 [1,1,0,0,0,0|2,0,0]=4 297 B12R1.24 CCC(O)C1=C(C(=CC=C1)Cl)F Z1245781804 [1,1,0,0,0,0|1,0,0]=3 298 B12R1.24 CNC(=O)C1=C(C(=CC=C1)O)O Z1509323291 [1,1,0,0,0,0|0,0,2]=4 299 B12R1.24 OCC(O)C1=C(C(=CC=C1)Cl)Cl Z1537123320 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.225 CC(=O)C(O)C1=CC(=CC=C1)Cl Z1255467340 [1,1,0,0,0,0|1,0,1]=4 301 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C Z1176485649 [1,1,0,0,0,0|1,0,0]=3 302 B12R1.225 CC(N)C(=O)C1=CC(=CC=C1)O Z3015076235 [1,1,0,0,0,0|0,0,2]=4 303 B12R1.225 CC(N)C(O)C1=CC(=CC=C1)F Z1695740794 [1,1,0,0,0,0|1,0,0]=3 304 B12R1.225 CN(C)C(=O)C1=CC(=CC=C1)O Z32014356 [1,1,0,0,0,0|0,0,2]=4 305 B12R1.225 C[C@@H](C1=CC(=CC=C1)O)N(C)C Z1198169241 [1,1,0,0,0,0|1,0,0]=3 306 B12R1.225 C[C@H](N)[C@H](O)C1=CC(=CC=C1)O Z2050038784 [1,1,0,0,0,0|0,0,0]=2 307 B12R1.354 CCC(N)C1=C(C=CC(=C1)F)F Z1250208681 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.354 CNC(=O)C1=C(C=CC(=C1)O)N Z1255385730 [1,1,0,0,0,0|0,0,2]=4 309 B12R1.354 CNC(C)C1=C(C=CC(=C1)F)F Z239629056 [1,1,0,0,0,0|2,0,0]=4 310 B12R1.358 CC1=CC(=CC(=C1)C(C)CN)C Z5233394619 [1,1,0,0,0,0|2,0,0]=4 311 B12R1.358 CC1=CC(=CC(=C1)C(O)CN)C Z838973992 [1,1,0,0,0,0|1,0,0]=3 312 B12R1.358 CCC(N)C1=CC(=CC(=C1)F)Br Z1269119489 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.358 NCC(O)C1=CC(=CC(=C1)Cl)Cl Z452431482 [1,1,0,0,0,0|1,0,0]=3 314 B12R1.358 NCC(O)C1=CC(=CC(=C1)F)Cl Z1918018376 [1,1,0,0,0,0|1,0,0]=3 315 B12R1.358 NCC(O)C1=CC(=CC(=C1)F)F Z6095531368 [1,1,0,0,0,0|1,0,0]=3 316 B12R1.367 CC(CN)C1=CC(=C(C=C1)Cl)Cl Z4937190097 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.367 CC(CN)C1=CC(=C(C=C1)F)Cl Z4937045907 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.367 CC(CN)C1=CC(=C(C=C1)F)F Z415655058 [1,1,0,0,0,0|2,0,0]=4 319 B12R1.367 CCC(C)C1=CC(=C(C=C1)O)N Z57441610 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.367 CCC(N)C1=CC(=C(C=C1)Br)F Z5368653956 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.367 CCC(O)C1=CC(=C(C=C1)Cl)Cl Z235447502 [1,1,0,0,0,0|1,0,0]=3 322 B12R1.367 CC[C@@H](O)C1=CC(=C(C=C1)Cl)Cl Z1483951050 [1,1,0,0,0,0|1,0,0]=3 323 B12R1.367 CC[C@H](O)C1=CC(=C(C=C1)C)F Z1255444475 [1,1,0,0,0,0|1,0,0]=3 324 B12R1.367 CNC(C)C1=CC(=C(C=C1)Cl)Cl Z159528194 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.367 NCC(O)C1=CC(=C(C=C1)F)F Z330910382 [1,1,0,0,0,0|1,0,0]=3 326 B12R1.367 OCC(O)C1=CC(=C(C=C1)Cl)F Z1537124099 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.435 CCC(=O)C1=CC(=CC=C1)OC Z513732528 [1,1,0,0,0,0|0,0,2]=4 328 B12R1.435 CCC(O)C1=CC(=CC=C1)OC Z513748112 [1,1,0,0,0,0|0,0,0]=2 329 B12R1.435 CNC(=O)C1=CC(=CC=C1)OC Z32016549 [1,1,0,0,0,0|0,0,2]=4 330 B12R1.435 COC1=CC(=CC=C1)C(=O)CN Z2242140910 [1,1,0,0,0,0|0,0,2]=4 331 B12R1.435 COC1=CC(=CC=C1)C(N)CO Z385458538 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.435 COC1=CC(=CC=C1)C(O)CO Z1416170023 [1,1,0,0,0,0|1,0,0]=3 333 B12R1.435 N#CC1=CC=CC(=C1)[C@@H](O)CN Z2238129707 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.28 CCCCNC1=CC(=CC=C1)I Z1266854879 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.28 CCCCOC1=CC(=CC=C1)N Z802665964 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.28 CNCCOC1=CC(=CC=C1)C Z147652434 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.28 CNCCOC1=CC(=CC=C1)Cl Z138105424 [1,1,0,0,0,0|1,0,0]=3 338 B12R1.28 COCCOC1=CC(=CC=C1)Br Z285938612 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.28 COCCOC1=CC(=CC=C1)N Z285182536 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.28 COCCOC1=CC(=CC=C1)O Z381415582 [1,1,0,0,0,0|1,0,0]=3 341 B12R1.28 OCCCCC1=CC(=CC=C1)Br Z1233226242 [1,1,0,0,0,0|2,0,0]=4 342 B12R1.50 CNC(=O)CC1=CC(=CC=C1)O Z816010790 [1,1,0,0,0,0|0,0,1]=3 343 B12R1.50 CNC(=O)OC1=CC(=CC=C1)O Z1509352023 [1,1,0,0,0,0|1,0,1]=4 344 B12R1.50 CNC(C)CC1=CC(=CC=C1)C Z2311236342 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.50 COC(=O)CC1=CC(=CC=C1)O Z816010254 [1,1,0,0,0,0|1,0,1]=4 346 B12R1.50 O=C(CC1=CC(=CC=C1)O)NO Z816010210 [1,1,0,0,0,0|1,0,1]=4 347 B12R1.100 CCCCC1=CC(=CC(=C1)O)O Z1513806573 [1,1,0,0,0,0|1,0,0]=3 348 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.226 CC(C)CNC1=CC(=CC=C1)O Z335562026 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.226 CC(N)CCC1=CC(=CC=C1)F Z406452418 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.382 CCCSC1=CC(=CC=C1)CO Z3234624746 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.382 CNCCC1=CC(=CC=C1)C#N Z2734594341 [1,1,0,0,0,0|1,0,0]=3 355 B12R1.382 COC1=CC(=CC=C1)CCC=O Z993017768 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.382 COC1=CC(=CC=C1)CCCN Z1262398467 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.382 COC1=CC(=CC=C1)CCCO Z993012490 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.385 CCCCC1=CC(=C(C=C1)C)N Z1262626215 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.385 CCCCC1=CC(=C(C=C1)O)C Z1416171318 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.385 CNCCC1=CC(=C(C=C1)O)Br Z3710478807 [1,1,0,0,0,0|1,0,0]=3 361 B12R1.385 COCCC1=CC(=C(C=C1)O)Cl Z1513901493 [1,1,0,0,0,0|2,0,0]=4 362 B12R1.29 CNCCC(O)C1=CC=C(S1)C Z2583614757 [0,1,0,0,1,0|2,0,0]=4 363 B14R1.962 CNCC(=O)NC1=CC(=CC=C1)OC Z56960149 [0,1,0,0,0,1|0,0,2]=4 364 B14R1.967 CNCC(C)OC1=CC(=C(C=C1)Cl)Cl Z991470458 [0,1,0,0,0,1|2,0,0]=4 365 B14R1.5978 CN(C)CC(O)CC1=CC(=CC=C1)Cl Z1303925591 [0,1,0,0,0,1|1,0,0]=3 366 B14R1.518 CCCC(C(=O)O)C1=CC(=CC=C1)Cl Z1269222848 [0,2,0,0,0,0|2,0,0]=4 367 B14R1.149 CC(C)NCC(O)C1=CC(=CC=C1)O Z1198155517 [0,2,0,0,0,0|0,0,0]=2 368 B14R1.79 COC(=O)C(O)C1=CC(=CC=C1)OC Z965047556 [0,2,0,0,0,0|1,0,1]=4 369 B14R1.993 CNC(=O)C(O)C1=CC(=CC(=C1)Cl)Cl Z1548753532 [0,2,0,0,0,0|1,0,1]=4 370 B14R1.685 CN(C)CC(=O)C1=CC(=C(C=C1)O)O Z1492781231 [0,2,0,0,0,0|0,0,2]=4 371 B12R2.2 C1=CC(=CC=N1)C2CCNC2 Z2492414323 [1,0,0,1,0,0|2,0,0]=4 372 B12R2.2 C1=CC=C(C=C1)C2=CCNC2 Z1574940564 [1,0,0,1,0,0|1,0,1]=4 373 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [1,0,0,1,0,0|2,0,0]=4 374 B12R2.2 C1=CC=C(C=C1)C2CCNC2 Z926900322 [1,0,0,1,0,0|1,0,0]=3 375 B12R2.2 C1=CN=C(C=C1)C2CCNC2 Z940902744 [1,0,0,1,0,0|2,0,0]=4 376 B12R2.27 CNC1CC1C2=CC=CC=C2 Z1443588579 [1,0,0,1,0,0|1,0,0]=3 377 B12R2.27 CN[C@@H]1C[C@H]1C2=CC=CC=C2 Z3024312938 [1,0,0,1,0,0|1,0,0]=3 378 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [1,0,0,1,0,0|2,0,0]=4 379 B12R2.116 CC1(CNC1)C2=CC=CC=C2 Z2143576561 [1,0,0,1,0,0|1,0,0]=3 380 B12R2.116 FC1(CNC1)C2=CC=NC=C2 Z5526531607 [1,0,0,1,0,0|2,0,0]=4 381 B12R2.116 FC1(CNC1)C2=NC=CC=C2 Z5386622085 [1,0,0,1,0,0|2,0,0]=4 382 B12R2.116 OC1(CCC1)C2=CC=CC=C2 Z1198315122 [1,0,0,1,0,0|1,0,0]=3 383 B12R2.116 OC1(CNC1)C2=CN=CC=C2 Z3492926719 [1,0,0,1,0,0|1,0,0]=3 384 B12R2.116 OC1(CNC1)C2=NC=CC=C2 Z3921967489 [1,0,0,1,0,0|1,0,0]=3 385 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z1741982189 [1,0,0,1,0,0|1,0,0]=3 386 B12R2.1081 NC1CCCC2=C1C=CC=C2 Z316170348 [1,0,0,1,0,0|2,0,0]=4 387 B12R2.1081 NC1COCC2=C1C=CC=C2 Z1198178449 [1,0,0,1,0,0|2,0,0]=4 388 B12R2.1081 NC1CSCC2=C1C=CC=C2 Z1695783215 [1,0,0,1,0,0|2,0,0]=4 389 B12R2.1081 OC1CCCC2=C1C=CC=C2 Z56899171 [1,0,0,1,0,0|1,0,0]=3 390 B12R2.1081 OC1CCCC2=C1C=CC=N2 Z1198156585 [1,0,0,1,0,0|2,0,0]=4 391 B12R2.1081 OC1CCCC2=C1C=NC=C2 Z1255398550 [1,0,0,1,0,0|2,0,0]=4 392 B12R2.1081 OC1CCNC2=C1C=CC=C2 Z1198723522 [1,0,0,1,0,0|2,0,0]=4 393 B12R2.1081 OC1CCOC2=C1C=CC=C2 Z335244980 [1,0,0,1,0,0|2,0,0]=4 394 B12R2.1081 OC1CCSC2=C1C=CC=C2 Z57085790 [1,0,0,1,0,0|2,0,0]=4 395 B12R2.1081 OC1COCC2=C1C=CC=C2 Z1255366473 [1,0,0,1,0,0|1,0,0]=3 396 B12R2.1081 OC1CSCC2=C1C=CC=C2 Z445987402 [1,0,0,1,0,0|1,0,0]=3 397 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 Z1255505566 [1,0,0,1,0,0|2,0,0]=4 398 B12R2.1081 O[C@@H]1CCOC2=C1C=CC=C2 Z959151866 [1,0,0,1,0,0|2,0,0]=4 399 B12R2.1081 O[C@@H]1CCSC2=C1C=CC=C2 Z959151622 [1,0,0,1,0,0|2,0,0]=4 400 B12R2.1081 O[C@H]1CCCC2=C1N=CC=C2 Z1216847007 [1,0,0,1,0,0|2,0,0]=4 401 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 Z959151868 [1,0,0,1,0,0|2,0,0]=4 402 B12R2.1081 O[C@H]1CCSC2=C1C=CC=C2 Z959151626 [1,0,0,1,0,0|2,0,0]=4 403 B12R2.2028 CC1CC(C2=C1C=CC=C2)N Z1263529672 [1,0,0,1,0,0|2,0,0]=4 404 B12R2.2028 N[C@@H]1C[C@@H](C2=C1C=CC=C2)O Z4591105168 [1,0,0,1,0,0|2,0,0]=4 405 B12R2.2075 CC(C1=CC=CC=C1)C2CO2 Z1020679814 [1,0,0,1,0,0|2,0,0]=4 406 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 Z203239488 [1,0,0,1,0,0|2,0,0]=4 407 B12R2.80 C[C@@H]1O[C@H]1C2=CC(=CC=C2)Cl Z2525216417 [1,0,0,1,0,0|1,0,0]=3 408 B12R2.80 NC1CC1C2=CC(=CC=C2)Br Z1266823142 [1,0,0,1,0,0|2,0,0]=4 409 B12R2.80 N[C@@H]1C[C@H]1C2=CC(=CC=C2)Cl Z2298098009 [1,0,0,1,0,0|2,0,0]=4 410 B12R2.132 CC1=CC2=C(C=C1)CCC2N Z1259339087 [1,0,0,1,0,0|2,0,0]=4 411 B12R2.132 NC1=CC2=C(C=C1)CCC2O Z1203584428 [1,0,0,1,0,0|1,0,0]=3 412 B12R2.132 NC1CCC2=C1C=C(C=C2)Cl Z2692095081 [1,0,0,1,0,0|2,0,0]=4 413 B12R2.132 NC1CCC2=C1C=C(C=C2)F Z1263820321 [1,0,0,1,0,0|2,0,0]=4 414 B12R2.132 NC1CCC2=C1C=C(C=C2)O Z1198165276 [1,0,0,1,0,0|1,0,0]=3 415 B12R2.132 O=C1NCC2=C1C=C(C=C2)O Z1198177071 [1,0,0,1,0,0|0,0,2]=4 416 B12R2.132 OB1OCC2=C1C=C(C=C2)O Z1513809260 [1,0,0,1,0,0|2,0,0]=4 417 B12R2.132 OC1CCC2=C1C=C(C=C2)F Z815114600 [1,0,0,1,0,0|1,0,0]=3 418 B12R2.196 NC1=C2CCC(C2=CC=C1)N Z4404079635 [1,0,0,1,0,0|2,0,0]=4 419 B12R2.196 NC1CCC2=C(C=CC=C12)Br Z1263529547 [1,0,0,1,0,0|2,0,0]=4 420 B12R2.196 NC1CCC2=C(C=CC=C12)Cl Z802671646 [1,0,0,1,0,0|2,0,0]=4 421 B12R2.196 NC1CCC2=C(C=CC=C12)F Z802665924 [1,0,0,1,0,0|2,0,0]=4 422 B12R2.196 NC1CCC2=C(C=CC=C12)O Z317054124 [1,0,0,1,0,0|1,0,0]=3 423 B12R2.196 O=C1CCC2=C(C=CC=C12)O Z203881856 [1,0,0,1,0,0|0,0,2]=4 424 B12R2.196 O=C1NCC2=C(C=CC=C12)O Z1741980680 [1,0,0,1,0,0|0,0,2]=4 425 B12R2.196 OB1OCC2=C(C=CC=C12)O Z1513908647 [1,0,0,1,0,0|2,0,0]=4 426 B12R2.196 OC1CCC2=C(C=CC=C12)Cl Z815114596 [1,0,0,1,0,0|1,0,0]=3 427 B12R2.196 OC1CCC2=C(C=NC=C12)Br Z1813120127 [1,0,0,1,0,0|2,0,0]=4 428 B12R2.1282 CC1(CC1)C2=CC(=CC=C2)N Z3016341162 [1,0,0,1,0,0|2,0,0]=4 429 B12R2.1282 CC1=CC(=CC=C1)C2(CC2)N Z3235027684 [1,0,0,1,0,0|2,0,0]=4 430 B12R2.1282 NC1(CC1)C2=CC(=CC=C2)Br Z1250132660 [1,0,0,1,0,0|2,0,0]=4 431 B12R2.1282 NC1(CC1)C2=CC(=CC=C2)Cl Z1272949049 [1,0,0,1,0,0|2,0,0]=4 432 B12R2.1282 NC1(CC1)C2=CC(=CC=C2)F Z1250132685 [1,0,0,1,0,0|2,0,0]=4 433 B12R2.2313 FC1=CC(=CC=C1)C2CCN2 Z1696844460 [1,0,0,1,0,0|2,0,0]=4 434 B12R2.2313 FC1=CC(=CC=C1)C2CNC2 Z1436185316 [1,0,0,1,0,0|2,0,0]=4 435 B12R2.2313 NC1=CC(=CC=C1)C2CCC2 Z1486032780 [1,0,0,1,0,0|2,0,0]=4 436 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 Z299596180 [1,0,0,1,0,0|2,0,0]=4 437 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 Z1224524500 [1,0,0,1,0,0|1,0,0]=3 438 B12R2.24 CC1=CC2=C(C=C1)CNCC2 Z1839475447 [1,0,0,1,0,0|1,0,0]=3 439 B12R2.24 FC1=CC2=C(C=C1)CNCC2 Z1198169933 [1,0,0,1,0,0|1,0,0]=3 440 B12R2.24 NC1=CC2=C(C=C1)CCCC2 Z278204684 [1,0,0,1,0,0|2,0,0]=4 441 B12R2.24 O=C1C=CC2=C(N1)CCNC2 Z3234963668 [1,0,0,1,0,0|1,0,1]=4 442 B12R2.24 OC1=CC2=C(C=C1)CCCC2 Z57182387 [1,0,0,1,0,0|1,0,0]=3 443 B12R2.24 OC1=CC2=C(C=C1)CCCN2 Z1198176201 [1,0,0,1,0,0|2,0,0]=4 444 B12R2.24 OC1=CC2=C(C=C1)CCNC2 Z382690838 [1,0,0,1,0,0|2,0,0]=4 445 B12R2.24 OC1=CC2=C(C=C1)CCOC2 Z1551961557 [1,0,0,1,0,0|2,0,0]=4 446 B12R2.24 OC1=CC2=C(C=C1)CNCC2 Z3018438111 [1,0,0,1,0,0|0,0,0]=2 447 B12R2.24 OC1=CC2=C(C=C1)COCC2 Z1255359696 [1,0,0,1,0,0|1,0,0]=3 448 B12R2.24 OC1=CC2=C(C=C1)OCCC2 Z1201627010 [1,0,0,1,0,0|2,0,0]=4 449 B12R2.24 OC1=CC2=C(CCCC2)N=C1 Z1255357750 [1,0,0,1,0,0|2,0,0]=4 450 B12R2.203 O=C1CCC2=CC=CC(=C12)O Z1255416018 [1,0,0,1,0,0|2,0,0]=4 451 B12R2.612 CN1C=NC2=C1C=CC(=C2)O Z275242686 [1,0,0,1,0,0|1,0,1]=4 452 B12R2.612 CN1CCC2=C1C=CC(=C2)N Z992717374 [1,0,0,1,0,0|1,0,0]=3 453 B12R2.612 CN1CCC2=C1C=CC(=C2)O Z2238129691 [1,0,0,1,0,0|0,0,0]=2 454 B12R2.612 O=C1CCC2=C1C=CC(=C2)O Z1255457932 [1,0,0,1,0,0|2,0,0]=4 455 B12R2.1286 ClC1=CC(=CC=C1)CC2CO2 Z1495386153 [1,0,0,1,0,0|2,0,0]=4 456 B12R2.1286 FC1=CC(=CC=C1)CC2CO2 Z1495386186 [1,0,0,1,0,0|2,0,0]=4 457 B12R2.1286 OC1=CC(=CC=C1)OC2CC2 Z1255397767 [1,0,0,1,0,0|2,0,0]=4 458 B12R2.437 OC1(CNC1)C2=CSC=C2Br Z4398771297 [0,0,0,1,1,0|2,0,0]=4 459 B14R2.269 OC1CCCC1C2=CC(=CC=C2)Cl Z992949496 [0,0,0,1,0,1|2,0,0]=4 460 B14R2.380 CC1CNCC2=C(O1)C=C(C=C2)Br Z5089062326 [0,0,0,1,0,1|2,0,0]=4 461 B14R2.716 ClC1=CC(=CC=C1)CC2CCNC2 Z1255391385 [0,0,0,1,0,1|2,0,0]=4 462 B14R2.716 ClC1=CC(=CC=C1)OC2CCNC2 Z975916284 [0,0,0,1,0,1|2,0,0]=4 463 B14R2.716 ClC1=CC(=CC=C1)SC2CCNC2 Z2197092544 [0,0,0,1,0,1|2,0,0]=4 464 B14R2.716 IC1=CC(=CC=C1)CC2CCNC2 Z2234185699 [0,0,0,1,0,1|2,0,0]=4 465 B14R2.716 OC1=CC(=CC=C1)CC2CCNC2 Z4184457636 [0,0,0,1,0,1|1,0,0]=3 466 B14R2.716 OC1=CC(=CC=C1)OC2CCCC2 Z381415518 [0,0,0,1,0,1|2,0,0]=4 467 B14R2.21 BrC1=CC(=CC=C1)C2CCNCC2 Z1983080629 [0,1,0,1,0,0|2,0,0]=4 468 B14R2.21 BrC1=CC(=CC=C1)C2CNCCO2 Z397586798 [0,1,0,1,0,0|1,0,0]=3 469 B14R2.21 BrC1=CC(=CC=C1)C2OCCCO2 Z1079130562 [0,1,0,1,0,0|2,0,0]=4 470 B14R2.21 CC1=CC(=CC=C1)C2CCNCC2 Z3234811074 [0,1,0,1,0,0|2,0,0]=4 471 B14R2.21 ClC1=CC(=CC=C1)C2CCNCC2 Z1741969475 [0,1,0,1,0,0|2,0,0]=4 472 B14R2.21 ClC1=CC(=CC=C1)C2CNCCN2 Z1255457923 [0,1,0,1,0,0|2,0,0]=4 473 B14R2.21 ClC1=CC(=CC=C1)C2CNCCO2 Z397586758 [0,1,0,1,0,0|1,0,0]=3 474 B14R2.21 FC1=CC(=CC=C1)C2CCNCC2 Z1342208423 [0,1,0,1,0,0|2,0,0]=4 475 B14R2.21 FC1=CC(=CC=C1)C2CNCCO2 Z397586684 [0,1,0,1,0,0|1,0,0]=3 476 B14R2.21 OC1=CC(=CC=C1)C2CCCCC2 Z1255421865 [0,1,0,1,0,0|2,0,0]=4 477 B14R2.21 OC1=CC(=CC=C1)C2CCCCN2 Z2733007685 [0,1,0,1,0,0|2,0,0]=4 478 B14R2.21 OC1=CC(=CC=C1)C2CCNCC2 Z3244825542 [0,1,0,1,0,0|1,0,0]=3 479 B14R2.21 OC1=CC(=CC=C1)C2CNCCO2 Z1198274547 [0,1,0,1,0,0|0,0,0]=2 480 B14R2.21 OC1=CC(=CC=C1)N2CCNCC2 Z118507070 [0,1,0,1,0,0|2,0,0]=4 481 B14R2.1078 COC1=C2CCCC(C2=CC=C1)N Z3235032393 [0,1,0,1,0,0|2,0,0]=4 482 B14R2.1078 COC1=C2OCCC(C2=CC=C1)O Z1255462359 [0,1,0,1,0,0|2,0,0]=4 483 B14R2.2971 COC1(CCC1)C2=CC(=CC=C2)N Z2732542319 [0,1,0,1,0,0|2,0,0]=4 484 B14R2.4471 FC1(CCNC1)C2=CC(=CC=C2)Cl Z2009833087 [0,1,0,1,0,0|2,0,0]=4 485 B14R2.4471 OC1(CCCC1)C2=CC(=CC=C2)Cl Z872052596 [0,1,0,1,0,0|2,0,0]=4 486 B14R2.5637 NC1=CC2=C(C=C1)CCCCC2O Z1262627926 [0,1,0,1,0,0|2,0,0]=4 487 B14R2.5637 OC1CCCCC2=C1C=C(C=C2)Br Z1008483516 [0,1,0,1,0,0|2,0,0]=4 488 B14R2.5637 OC1CCCNC2=C1C=C(C=C2)F Z1262578702 [0,1,0,1,0,0|2,0,0]=4 489 B14R2.4536 CC1(CNCC2=C1C=C(C=C2)F)C Z4330191890 [0,1,0,1,0,0|2,0,0]=4 490 B14R2.8034 CC1(CNCC2=C1C=CC=C2Br)C Z1269191117 [0,1,0,1,0,0|2,0,0]=4 491 B14R2.8034 CC1(CNCC2=C1C=CC=C2F)C Z3235904876 [0,1,0,1,0,0|2,0,0]=4 492 B14R2.4643 CC1(CC(C2=C1C=CC(=C2)N)O)C Z1255502614 [0,1,0,1,0,0|2,0,0]=4 493 B14R2.249 CC1=CC(=CC(=C1)C2CCNC2)C Z1650039425 [0,1,0,1,0,0|2,0,0]=4 494 B14R2.249 FC1=CC(=CC(=C1)C2CCNC2)F Z2651684242 [0,1,0,1,0,0|2,0,0]=4 495 B14R2.10 CCC1=CC(=CC=C1)C2CCNC2 Z5042713992 [0,1,0,1,0,0|2,0,0]=4 496 B14R2.10 COC1=CC(=CC=C1)C2=CCNC2 Z1592025222 [0,1,0,1,0,0|1,0,1]=4 497 B14R2.10 COC1=CC(=CC=C1)C2CCCN2 Z221605846 [0,1,0,1,0,0|2,0,0]=4 498 B14R2.10 N#CC1=CC(=CC=C1)C2CCNC2 Z5265272495 [0,1,0,1,0,0|2,0,0]=4 499 B14R2.142 COC1=CC2=C(C=C1)CCCC2N Z1331054615 [0,1,0,1,0,0|2,0,0]=4 500 B14R2.142 COC1=CC2=C(C=C1)CCC[C@@H]2N Z1492796833 [0,1,0,1,0,0|2,0,0]=4 501 B14R2.142 COC1=CC2=C(C=C1)CCC[C@H]2N Z1483972113 [0,1,0,1,0,0|2,0,0]=4 502 B14R2.142 COC1=CC2=C(C=C1)OCC[C@H]2O Z1255459698 [0,1,0,1,0,0|2,0,0]=4 503 B14R2.2174 COC1=CC(=CC=C1)C(O)C2CC2 Z513751590 [0,1,0,1,0,0|1,0,0]=3 504 B14R2.3262 COC1=CC(=CC=C1)C2(CCC2)O Z1302423005 [0,1,0,1,0,0|1,0,0]=3 505 B14R2.70 OC1=C(C=C(C=C1)C2CCNC2)O Z4870574930 [0,1,0,1,0,0|1,0,0]=3 506 B10R1.14 CC1=CC=C(O1)C(O)CN Z363991860 [1,0,0,0,1,0|2,0,0]=4 507 B10R1.14 NCC(O)C1=CC=C(S1)Cl Z838891514 [1,0,0,0,1,0|2,0,0]=4 508 B10R1.149 CN1C=CC=C1C(O)CN Z363990702 [1,0,0,0,1,0|2,0,0]=4 509 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [1,0,0,0,0,1|2,0,0]=4 510 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [1,0,0,0,0,1|2,0,0]=4 511 B12R1.32 CNC/C(=C/C1=CC=CC=C1)/C Z1137726270 [1,0,0,0,0,1|1,0,1]=4 512 B12R1.32 CNCC(=O)NC1=CC=CC=C1 Z380844554 [1,0,0,0,0,1|0,0,2]=4 513 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [1,0,0,0,0,1|1,0,0]=3 514 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [1,0,0,0,0,1|2,0,0]=4 515 B14R1.32 CCCC(C)NCC1=CC(=CC=C1)O Z86145734 [0,0,0,0,0,2|2,0,0]=4