0 B7R1.2 CN1CC[C@@H](N)C1 SPC-j082 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 CN1CC[C@@H](O)C1 SPC-j193 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.2 CN1CC[C@H](N)C1 SPC-j081 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 CN1CC[C@H](N)C1 SPC-m812 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 CN1CC[C@H](O)C1 SPC-j192 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.2 C[C@@H]1CC[C@@H](C)N1 SPC-s036 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.2 C[C@@H]1C[C@H](O)CN1 SPC-q565 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.2 C[C@H]1CC[C@@H](C)N1 SPC-s037 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.2 C[C@H]1C[C@@H](O)CN1 SPC-r278 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.2 C[C@H]1C[C@H](O)CN1 SPC-n775 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.2 NC1CCC(O)C1 SPC-k139 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SPC-m760 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.2 N[C@@H]1CC[C@H](O)C1 SPC-m283 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.2 N[C@H]1CC[C@@H](F)C1 SPC-s017 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 N[C@H]1CC[C@@H](O)C1 SPC-m402 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.2 N[C@H]1CC[C@H](O)C1 SPC-m401 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [0,0,0,0,0,0|2,0,1]=3 23 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.2 O=C1CNC(=O)C1 SPC-n497 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.2 OC1CCC(O)C1 SPC-n357 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.2 O[C@@H]1CC[C@@H](O)C1 SPC-s639 [0,0,0,0,0,0|2,0,2]=4 29 B7R1.2 O[C@H]1CC[C@@H](O)C1 SPC-q785 [0,0,0,0,0,0|2,0,2]=4 30 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [1,0,0,0,0,0|3,0,0]=4 31 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [1,0,0,0,0,0|1,0,1]=3 32 B6R1.2 C[C@H]1CCCN1 SPC-r295 [1,0,0,0,0,0|1,0,1]=3 33 B6R1.2 F[C@@H]1CCNC1 SPC-g912 [1,0,0,0,0,0|3,0,0]=4 34 B6R1.2 F[C@@H]1CCNC1 SPC-s680 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 F[C@H]1CCNC1 SPC-h119 [1,0,0,0,0,0|3,0,0]=4 36 B6R1.2 F[C@H]1CCNC1 SPC-j083 [1,0,0,0,0,0|3,0,0]=4 37 B6R1.2 IC1=COCC1 SPC-t718 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 IC1CCCC1 SPC-n407 [1,0,0,0,0,0|2,0,1]=4 39 B6R1.2 I[C@H]1CCOC1 SPC-h290 [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 I[C@H]1CCOC1 SPC-j336 [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [1,0,0,0,0,0|3,0,0]=4 42 B6R1.2 N[C@H]1CCOC1 SPC-g942 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 N[C@H]1CCOC1 SPC-g966 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 O=C1C=CCC1 SPC-g207 [1,0,0,0,0,0|1,0,1]=3 45 B6R1.2 O=C1C=CCO1 SPC-t619 [1,0,0,0,0,0|0,0,2]=3 46 B6R1.2 O=C1CCNC1 SPC-g182 [1,0,0,0,0,0|2,0,0]=3 47 B6R1.2 O=C1CCOC1 SPC-g234 [1,0,0,0,0,0|2,0,0]=3 48 B6R1.2 OC1CC=CC1 SPC-n355 [1,0,0,0,0,0|2,0,1]=4 49 B6R1.2 O[C@@H]1CCNC1 SPC-g149 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 O[C@H]1CCNC1 SPC-g033 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 O[C@H]1CCNC1 SPC-g282 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 O[C@H]1CCNC1 SPC-g363 [1,0,0,0,0,0|3,0,0]=4 54 B6R1.2 O[C@H]1CCOC1 SPC-g096 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.2 O[C@H]1CCOC1 SPC-g256 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.1 CN1CC[C@@H](CN)C1 SPC-m834 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.1 CN1CC[C@@H](CN)C1 SPC-m835 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.1 CN1CC[C@@H](CO)C1 SPC-j335 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.1 CN1CC[C@H](CN)C1 SPC-h345 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.1 CN1CC[C@H](CN)C1 SPC-n837 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.1 CN1CC[C@H](CO)C1 SPC-j334 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.1 NC[C@@H]1CNC(=O)O1 SPC-n802 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [0,1,0,0,0,0|2,0,0]=3 68 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-j887 [0,1,0,0,0,0|1,0,0]=2 69 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-q943 [0,1,0,0,0,0|1,0,0]=2 70 B8R1.1 NC[C@H]1COC(=O)N1 SPC-p433 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.1 O=C1CC[C@@H](CO)N1 SPC-g157 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.1 O=C1CC[C@H](CO)N1 SPC-n804 [0,1,0,0,0,0|1,0,0]=2 73 B8R1.18 CC1=CC(=O)O[C@@H]1O SPC-s367 [0,1,0,0,0,0|1,0,2]=4 74 B8R1.18 CN1C[C@@H](N)CC1=O SPC-p485 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.50 O=C1CCC(=O)N1I SPC-m873 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.51 CC1(C)COC(=O)N1 SPC-k094 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.1 CCOC(=O)C#N SPC-g163 [0,0,1,0,0,0|1,0,1]=3 78 B6R0.4 CC\C=C\C(=O)O SPC-t510 [0,0,1,0,0,0|0,0,2]=3 79 B8R2.7 NC12CCC(C1)C2 SPC-a816a [0,0,0,1,0,0|2,0,1]=4 80 B8R2.18 NC1CC2CC2C1 SPC-k477 [0,0,0,1,0,0|2,0,1]=4 81 B8R2.18 OC1CC2CC2C1 SPC-u478 [0,0,0,1,0,0|1,0,2]=4 82 B8R2.34 C1CC2CC1CN2 SPC-p168 [0,0,0,1,0,0|2,0,1]=4 83 B8R2.34 C1CC2CCC1N2 SPC-m545 [0,0,0,1,0,0|2,0,1]=4 84 B8R2.34 C1CC2CCC1N2 SPC-m546 [0,0,0,1,0,0|2,0,1]=4 85 B6R1.4 CC1OCC1O SPC-r006 [0,0,0,0,1,0|1,0,2]=4 86 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u139 [0,0,0,0,1,0|1,0,2]=4 87 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u948 [0,0,0,0,1,0|1,0,2]=4 88 B6R1.4 C[C@@H]1NC[C@H]1O SPC-u025 [0,0,0,0,1,0|1,0,2]=4 89 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [0,0,0,0,1,0|1,0,0]=2 90 B6R1.4 C[C@H]1NC[C@H]1O SPC-v658 [0,0,0,0,1,0|1,0,2]=4 91 B6R1.4 NC1CCC1O SPC-u019 [0,0,0,0,1,0|1,0,2]=4 92 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [0,0,0,0,1,0|1,0,2]=4 93 B6R1.4 N[C@@H]1CC[C@H]1N SPC-a439 [0,0,0,0,1,0|2,0,1]=4 94 B6R1.4 N[C@@H]1CNC1=O SPC-u597 [0,0,0,0,1,0|2,0,0]=3 95 B6R1.4 N[C@H]1CC[C@H]1N SPC-a438 [0,0,0,0,1,0|2,0,1]=4 96 B6R1.4 N[C@H]1CNC1=O SPC-s686 [0,0,0,0,1,0|2,0,0]=3 97 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [0,0,0,0,1,0|1,0,0]=2 98 B6R1.5 CC1CC(=O)C1 SPC-n075 [0,0,0,0,1,0|1,0,0]=2 99 B6R1.5 CN1CC(=O)C1 SPC-i955 [0,0,0,0,1,0|2,0,0]=3 100 B6R1.5 CN1CC(=O)C1 SPC-p044 [0,0,0,0,1,0|2,0,0]=3 101 B6R1.5 C[C@H]1C[C@@H](N)C1 SPC-t414 [0,0,0,0,1,0|2,0,1]=4 102 B6R1.5 NC1CC(=O)C1 SPC-g768 [0,0,0,0,1,0|2,0,0]=3 103 B6R1.5 O=C1CC(Br)C1 SPC-i596 [0,0,0,0,1,0|2,0,0]=3 104 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [0,0,0,0,0,1|1,0,0]=2 105 B8R1.3 C[C@@H]1CNC(=O)CN1 SPC-u069 [0,0,0,0,0,1|2,0,0]=3 106 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [0,0,0,0,0,1|1,0,0]=2 107 B8R1.3 C[C@H]1CC[C@@H](O)CN1 SPC-u032 [0,0,0,0,0,1|1,0,2]=4 108 B8R1.3 C[C@H]1CNC(=O)CN1 SPC-n806 [0,0,0,0,0,1|2,0,0]=3 109 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [0,0,0,0,0,1|2,0,0]=3 110 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [0,0,0,0,0,1|2,0,0]=3 111 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [0,0,0,0,0,1|2,0,0]=3 112 B8R1.3 O=C1CCC(F)CC1 SPC-u525 [0,0,0,0,0,1|2,0,0]=3 113 B8R1.4 CC1CC(N)CCO1 SPC-m997 [0,0,0,0,0,1|2,0,1]=4 114 B8R1.4 CC1CC(O)CCN1 SPC-p253 [0,0,0,0,0,1|1,0,2]=4 115 B8R1.4 CC1CC(O)CCN1 SPC-r050 [0,0,0,0,0,1|1,0,2]=4 116 B8R1.4 CC1CC(O)CCO1 SPC-g891 [0,0,0,0,0,1|1,0,2]=4 117 B8R1.4 CC1CNCC(C)N1 SPC-k259 [0,0,0,0,0,1|2,0,1]=4 118 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,0,0,0,0,1|1,0,0]=2 119 B8R1.4 C[C@@H]1CN(C)CCN1 SPC-s054 [0,0,0,0,0,1|3,0,0]=4 120 B8R1.4 C[C@@H]1CNCC(=O)N1 SPC-n811 [0,0,0,0,0,1|1,0,0]=2 121 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 SPC-h032 [0,0,0,0,0,1|2,0,1]=4 122 B8R1.4 C[C@@H]1C[C@H](O)CCN1 SPC-m097 [0,0,0,0,0,1|1,0,2]=4 123 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,0,0,0,0,1|1,0,0]=2 124 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,0,0,0,0,1|1,0,0]=2 125 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,0,0,0,0,1|1,0,0]=2 126 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,0,0,0,0,1|1,0,0]=2 127 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [0,0,0,0,0,1|1,0,0]=2 128 B8R1.4 C[C@H]1CNCC(=O)N1 SPC-n812 [0,0,0,0,0,1|1,0,0]=2 129 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SPC-g004 [0,0,0,0,0,1|2,0,1]=4 130 B8R1.4 C[C@H]1CNC[C@H](C)N1 SPC-n727 [0,0,0,0,0,1|2,0,1]=4 131 B8R1.4 C[C@H]1CNC[C@H](C)O1 SPC-k818 [0,0,0,0,0,1|1,0,1]=3 132 B8R1.4 C[C@H]1COC[C@@H](C)N1 SPC-p942 [0,0,0,0,0,1|2,0,1]=4 133 B8R1.4 C[C@H]1C[C@@H](O)CCN1 SPC-u060 [0,0,0,0,0,1|1,0,2]=4 134 B8R1.4 NC1=CC(=O)COC1 SPC-t582 [0,0,0,0,0,1|2,0,1]=4 135 B8R1.4 N[C@@H]1COCC(=O)C1 SPC-u616 [0,0,0,0,0,1|2,0,0]=3 136 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [0,0,0,0,0,1|2,0,0]=3 137 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [0,0,0,0,0,1|2,0,0]=3 138 B8R1.4 O=C1CCNC(=O)C1 SPC-g649 [0,0,0,0,0,1|2,0,1]=4 139 B8R1.4 O=C1CNCC(=O)N1 SPC-r025 [0,0,0,0,0,1|2,0,1]=4 140 B8R1.4 O=C1COCC(=O)C1 SPC-k937 [0,0,0,0,0,1|2,0,1]=4 141 B8R1.4 O=C1CSCC(=O)C1 SPC-t654 [0,0,0,0,0,1|2,0,1]=4 142 B5R0.1 CCC[C@H](C)N SPC-k309 [1,0,1,0,0,0|1,0,1]=4 143 B5R0.1 C[C@@H](N)CCO SPC-g658 [1,0,1,0,0,0|1,0,1]=4 144 B5R0.1 C[C@H](N)CCO SPC-n760 [1,0,1,0,0,0|1,0,1]=4 145 B7R0.5 CC(C)C(=O)OCCl SPC-n339 [0,1,1,0,0,0|1,0,0]=3 146 B7R0.5 CCOC(=O)C(N)=S SPC-m739 [0,1,1,0,0,0|1,0,1]=4 147 B7R0.7 [C-]#[N+]CC(=O)OCC SPC-q003 [0,1,1,0,0,0|0,0,1]=3 148 B7R0.9 CC(C)(C)CC(=O)Cl SPC-v725 [0,1,1,0,0,0|2,0,0]=4 149 B7R0.9 CC(C)(C)OC(N)=O SPC-g052 [0,1,1,0,0,0|1,0,0]=3 150 B7R1.1 BrCC1=CCCC1 SPC-n905 [1,1,0,0,0,0|2,0,0]=4 151 B7R1.1 BrCC1CCCC1 SPC-s715 [1,1,0,0,0,0|1,0,1]=4 152 B7R1.1 BrC[C@H]1CCCO1 SPC-g076 [1,1,0,0,0,0|0,0,1]=3 153 B7R1.1 BrC[C@H]1CCOC1 SPC-h480 [1,1,0,0,0,0|2,0,0]=4 154 B7R1.1 CC[C@@H]1CCNC1 SPC-m807 [1,1,0,0,0,0|2,0,0]=4 155 B7R1.1 CC[C@H]1CCNC1 SPC-m813 [1,1,0,0,0,0|2,0,0]=4 156 B7R1.1 CN[C@@H]1CCOC1 SPC-u441 [1,1,0,0,0,0|2,0,0]=4 157 B7R1.1 CN[C@H]1CCOC1 SPC-j154 [1,1,0,0,0,0|2,0,0]=4 158 B7R1.1 CN[C@H]1CCOC1 SPC-t742 [1,1,0,0,0,0|2,0,0]=4 159 B7R1.1 CO[C@@H]1CCNC1 SPC-h272 [1,1,0,0,0,0|2,0,0]=4 160 B7R1.1 CO[C@H]1CCNC1 SPC-h271 [1,1,0,0,0,0|2,0,0]=4 161 B7R1.1 CO[C@H]1CCNC1 SPC-h273 [1,1,0,0,0,0|2,0,0]=4 162 B7R1.1 FC[C@@H]1CCCN1 SPC-h660 [1,1,0,0,0,0|1,0,1]=4 163 B7R1.1 FC[C@@H]1CCNC1 SPC-v090 [1,1,0,0,0,0|2,0,0]=4 164 B7R1.1 FC[C@H]1CCCN1 SPC-j761 [1,1,0,0,0,0|1,0,1]=4 165 B7R1.1 IC[C@H]1CCOC1 SPC-j340 [1,1,0,0,0,0|2,0,0]=4 166 B7R1.1 NCC1CCCC1 SPC-k191 [1,1,0,0,0,0|1,0,1]=4 167 B7R1.1 NCC1CCCC1 SPC-t893 [1,1,0,0,0,0|1,0,1]=4 168 B7R1.1 NC[C@@H]1CCCN1 SPC-k181 [1,1,0,0,0,0|1,0,1]=4 169 B7R1.1 NC[C@@H]1CCOC1 SPC-j343 [1,1,0,0,0,0|2,0,0]=4 170 B7R1.1 NC[C@@H]1CCOC1 SPC-j344 [1,1,0,0,0,0|2,0,0]=4 171 B7R1.1 NC[C@H]1CCOC1 SPC-g368 [1,1,0,0,0,0|2,0,0]=4 172 B7R1.1 NC[C@H]1CCOC1 SPC-g369 [1,1,0,0,0,0|2,0,0]=4 173 B7R1.1 NC[C@H]1CCOC1 SPC-j341 [1,1,0,0,0,0|2,0,0]=4 174 B7R1.1 OCC1CC=CC1 SPC-m309 [1,1,0,0,0,0|1,0,1]=4 175 B7R1.1 OCC1OCCO1 SPC-s002 [1,1,0,0,0,0|1,0,1]=4 176 B7R1.1 OC[C@@H]1CCCN1 SPC-g330 [1,1,0,0,0,0|1,0,1]=4 177 B7R1.1 OC[C@@H]1CCNC1 SPC-k806 [1,1,0,0,0,0|2,0,0]=4 178 B7R1.1 OC[C@@H]1CCNC1 SPC-n751 [1,1,0,0,0,0|2,0,0]=4 179 B7R1.1 OC[C@@H]1CCOC1 SPC-h734 [1,1,0,0,0,0|2,0,0]=4 180 B7R1.1 OC[C@H]1CCCN1 SPC-m785 [1,1,0,0,0,0|1,0,1]=4 181 B7R1.1 OC[C@H]1CCNC1 SPC-k804 [1,1,0,0,0,0|2,0,0]=4 182 B7R1.1 OC[C@H]1CCNC1 SPC-k805 [1,1,0,0,0,0|2,0,0]=4 183 B7R1.1 OC[C@H]1CCNC1 SPC-n768 [1,1,0,0,0,0|2,0,0]=4 184 B7R1.1 OC[C@H]1CCOC1 SPC-j339 [1,1,0,0,0,0|2,0,0]=4 185 B7R1.1 OC[C@H]1CCOC1 SPC-n475 [1,1,0,0,0,0|2,0,0]=4 186 B7R1.4 CC1CNCC1C SPC-t668 [1,1,0,0,0,0|2,0,0]=4 187 B7R1.4 C[C@@H]1CNC[C@@H]1O SPC-r275 [1,1,0,0,0,0|2,0,0]=4 188 B7R1.4 C[C@@H]1CNC[C@H]1O SPC-r274 [1,1,0,0,0,0|2,0,0]=4 189 B7R1.4 C[C@@H]1COC[C@H]1N SPC-q478 [1,1,0,0,0,0|2,0,0]=4 190 B7R1.4 N[C@H]1CCNC1=O SPC-u507 [1,1,0,0,0,0|1,0,0]=3 191 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [1,1,0,0,0,0|0,0,0]=2 192 B7R1.14 CC1(C)CCCN1 SPC-p107 [1,1,0,0,0,0|1,0,1]=4 193 B7R1.14 CC1(C)CCNC1 SPC-m061 [1,1,0,0,0,0|2,0,0]=4 194 B7R1.14 C[C@@]1(O)CCNC1 SPC-n747 [1,1,0,0,0,0|2,0,0]=4 195 B7R1.14 C[C@]1(F)CCNC1 SPC-n059 [1,1,0,0,0,0|2,0,0]=4 196 B7R1.14 C[C@]1(N)CCOC1 SPC-m234 [1,1,0,0,0,0|2,0,0]=4 197 B7R1.14 C[C@]1(O)CCNC1 SPC-g916 [1,1,0,0,0,0|2,0,0]=4 198 B7R1.14 C[C@]1(O)CCNC1 SPC-j188 [1,1,0,0,0,0|2,0,0]=4 199 B7R1.14 C[C@]1(O)CCNC1 SPC-n763 [1,1,0,0,0,0|2,0,0]=4 200 B7R1.14 C[C@]1(O)CCNC1 SPC-s688 [1,1,0,0,0,0|2,0,0]=4 201 B7R1.14 N=S1(=O)CCCC1 SPC-w059 [1,1,0,0,0,0|2,0,0]=4 202 B7R1.8 CN1CC[C@@H]1CN SPC-n649 [0,1,0,0,1,0|2,0,0]=4 203 B7R1.8 CN1CC[C@@H]1CN SPC-n832 [0,1,0,0,1,0|2,0,0]=4 204 B7R1.8 CN1CC[C@@H]1CO SPC-v650 [0,1,0,0,1,0|2,0,0]=4 205 B7R1.8 CN1CC[C@H]1CN SPC-n833 [0,1,0,0,1,0|2,0,0]=4 206 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [0,1,0,0,1,0|0,0,0]=2 207 B7R1.17 CC1(C)CCC1=O SPC-s190 [0,1,0,0,1,0|0,0,0]=2 208 B7R1.17 CC1(C)CC[C@@H]1O SPC-s189 [0,1,0,0,1,0|0,0,2]=4 209 B7R1.17 CC1(C)OCC1=O SPC-r001 [0,1,0,0,1,0|1,0,0]=3 210 B7R1.10 COC1CC(=O)C1 SPC-i084 [0,1,0,0,1,0|1,0,0]=3 211 B7R1.10 N#CC1CC(=O)C1 SPC-h767 [0,1,0,0,1,0|1,0,1]=4 212 B7R1.10 O=C1CC(CBr)C1 SPC-h451 [0,1,0,0,1,0|1,0,0]=3 213 B7R1.10 O=C1CC(CCl)C1 SPC-i140 [0,1,0,0,1,0|1,0,0]=3 214 B7R1.10 O=C1CC(CO)C1 SPC-h515 [0,1,0,0,1,0|1,0,0]=3 215 B7R1.10 O=C1C[C@H](CO)N1 SPC-t669 [0,1,0,0,1,0|1,0,0]=3 216 B7R1.16 CC1(C)CC(=O)C1 SPC-q743 [0,1,0,0,1,0|1,0,0]=3 217 B7R1.16 CC1(N)CC(=O)C1 SPC-s904 [0,1,0,0,1,0|1,0,0]=3 218 B7R1.16 O=C1CC(F)(F)C1 SPC-i439 [0,1,0,0,1,0|2,0,0]=4 219 B9R1.1 NC[C@H]1CCC(=O)NC1 SPC-n169 [0,1,0,0,0,1|1,0,0]=3 220 B9R1.1 O=C1CO[C@@H](CO)CN1 SPC-u038 [0,1,0,0,0,1|1,0,0]=3 221 B9R1.1 O=C1CO[C@H](CO)CN1 SPC-v317 [0,1,0,0,0,1|1,0,0]=3 222 B9R1.10 CC1(C)CCC(=O)CC1 SPC-r386 [0,1,0,0,0,1|1,0,0]=3 223 B9R1.10 CC1(C)CNC(=O)CN1 SPC-p617 [0,1,0,0,0,1|2,0,0]=4 224 B9R1.10 O=C1CCC(F)(F)CC1 SPC-g678 [0,1,0,0,0,1|2,0,0]=4 225 B9R1.10 O=C1CCC(F)(F)CN1 SPC-m328 [0,1,0,0,0,1|2,0,0]=4 226 B9R1.69 CN1C[C@@H](N)CCC1=O SPC-j654 [0,1,0,0,0,1|2,0,0]=4 227 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 SPC-t564 [0,1,0,0,0,1|2,0,0]=4 228 B9R1.69 C[C@H]1CN(C)C(=O)CN1 SPC-u382 [0,1,0,0,0,1|2,0,0]=4 229 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 SPC-u935 [0,1,0,0,0,1|2,0,0]=4 230 B9R1.69 N[C@H]1CCC(=O)NC1=O SPC-g515 [0,1,0,0,0,1|2,0,0]=4 231 B9R1.2 CCN1CCNC(=O)C1 SPC-t007 [0,1,0,0,0,1|2,0,0]=4 232 B9R1.2 NC[C@H]1CCNC(=O)C1 SPC-j120 [0,1,0,0,0,1|1,0,0]=3 233 B9R1.2 O=C1C[C@@H](CO)CCN1 SPC-j635 [0,1,0,0,0,1|1,0,0]=3 234 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 SPC-r047 [0,1,0,0,0,1|1,0,0]=3 235 B9R1.66 CC1(C)CC(=O)CCO1 SPC-s192 [0,1,0,0,0,1|1,0,0]=3 236 B9R1.66 CC1(C)CCCC(=O)C1 SPC-p301 [0,1,0,0,0,1|1,0,0]=3 237 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 SPC-m818 [0,2,0,0,0,0|0,0,0]=2 238 B9R1.23 CN1C[C@@H](CN)CC1=O SPC-n100 [0,2,0,0,0,0|2,0,0]=4 239 B9R1.23 CN1C[C@@H](CO)CC1=O SPC-s965 [0,2,0,0,0,0|2,0,0]=4 240 B9R1.35 CC(C)[C@H]1COC(=O)N1 SPC-s088 [0,2,0,0,0,0|2,0,0]=4 241 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 SPC-s049 [0,2,0,0,0,0|1,0,1]=4 242 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 SPC-s038 [0,2,0,0,0,0|1,0,1]=4 243 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 SPC-h594 [0,2,0,0,0,0|1,0,1]=4 244 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 SPC-g806 [0,2,0,0,0,0|0,0,1]=3 245 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 SPC-p725 [0,2,0,0,0,0|0,1,1]=4 246 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-h678 [0,2,0,0,0,0|1,0,1]=4 247 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-k770 [0,2,0,0,0,0|1,0,1]=4 248 B9R1.35 O=C1N[C@H](C(F)F)CO1 SPC-v272 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.35 O=C1N[C@H](C(F)F)CO1 SPC-v445 [0,2,0,0,0,0|2,0,0]=4 250 B7R1.3 O=C1CCCNC1 SPC-q237 [0,0,1,1,0,0|2,0,0]=4 251 B7R1.3 O=C1CCCOC1 SPC-g865 [0,0,1,1,0,0|2,0,0]=4 252 B7R1.3 O=C1CCCSC1 SPC-k221 [0,0,1,1,0,0|2,0,0]=4 253 B7R1.3 O=C1CCOCC1 SPC-g072 [0,0,1,1,0,0|2,0,0]=4 254 B7R1.3 O=C1CCSCC1 SPC-g130 [0,0,1,1,0,0|2,0,0]=4 255 B7R1.3 O=C1CNCCN1 SPC-g151 [0,0,1,1,0,0|2,0,0]=4 256 B7R1.3 O=C1COCCN1 SPC-g147 [0,0,1,1,0,0|2,0,0]=4 257 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [0,0,1,1,0,0|2,0,0]=4 258 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [0,0,1,1,0,0|2,0,0]=4 259 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [0,0,1,1,0,0|2,0,0]=4 260 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [0,0,1,1,0,0|2,0,0]=4 261 B7R1.20 O=C(O)CC1CC1 SPC-g479 [0,0,1,1,0,0|2,0,0]=4 262 B7R1.18 CC(=O)C1CCC1 SPC-h776 [0,0,1,1,0,0|1,0,0]=3 263 B7R1.18 CC(=O)C1COC1 SPC-r005 [0,0,1,1,0,0|2,0,0]=4 264 B7R1.18 C[C@H](O)C1CCC1 SPC-u195 [0,0,1,1,0,0|1,0,1]=4 265 B7R1.18 C[C@H](O)C1CNC1 SPC-m855 [0,0,1,1,0,0|2,0,0]=4 266 B7R1.18 C[C@H](O)C1COC1 SPC-u843 [0,0,1,1,0,0|2,0,0]=4 267 B7R1.18 N=C(N)C1CCC1 SPC-h880 [0,0,1,1,0,0|2,0,0]=4 268 B7R1.18 NC(=O)C1CNC1 SPC-h816 [0,0,1,1,0,0|2,0,0]=4 269 B7R1.18 O=C(O)C1CCC1 SPC-a107 [0,0,1,1,0,0|0,0,0]=2 270 B7R1.18 O=C(O)C1CNC1 SPC-g671 [0,0,1,1,0,0|1,0,0]=3 271 B7R1.18 O=C(O)C1COC1 SPC-a017 [0,0,1,1,0,0|1,0,0]=3 272 B7R1.18 O=C(O)C1CSC1 SPC-a106 [0,0,1,1,0,0|1,0,0]=3 273 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [0,0,1,1,0,0|1,0,0]=3 274 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [0,0,1,1,0,0|1,0,0]=3 275 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [0,0,1,1,0,0|1,0,0]=3 276 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [0,0,1,1,0,0|1,0,0]=3 277 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [0,0,1,1,0,0|1,0,0]=3 278 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [0,0,1,1,0,0|1,0,0]=3 279 B7R2.11 C1NC2CC1C2 SPC-i373 [1,0,0,1,0,0|1,0,1]=4 280 B7R2.13 C1CC2CC2N1 SPC-p171 [1,0,0,1,0,0|1,0,1]=4 281 B7R2.13 C1NCC2CC12 SPC-a322 [1,0,0,1,0,0|2,0,0]=4 282 B9R2.25 O=C1OC(=O)C2CC12 SPC-g395 [0,0,0,1,0,1|1,0,1]=4 283 B9R2.39 O=C1NC2C=CC1C2 SPC-g062 [0,0,0,1,0,1|1,0,1]=4 284 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 SPC-k642 [0,0,0,1,0,1|1,0,1]=4 285 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 SPC-s011 [0,0,0,1,0,1|1,0,1]=4 286 B9R2.68 C1CC2CNCC1O2 SPC-h160 [0,0,0,1,0,1|1,0,1]=4 287 B9R2.109 O=C1CCCC2CC12 SPC-p917 [0,0,0,1,0,1|1,0,0]=3 288 B9R2.139 O=C1CC2(CC2)CN1 SPC-b633 [0,1,0,1,0,0|2,0,0]=4 289 B9R2.139 O=C1CC2(CC2)CO1 SPC-t063 [0,1,0,1,0,0|2,0,0]=4 290 B5R1.2 BrC1CCC1 SPC-p925 [1,0,0,0,1,0|1,0,1]=4 291 B5R1.2 CC1CNC1 SPC-h149 [1,0,0,0,1,0|1,0,1]=4 292 B5R1.2 C[C@H]1CCN1 SPC-i601 [1,0,0,0,1,0|1,0,0]=3 293 B5R1.2 IC1CCC1 SPC-t191 [1,0,0,0,1,0|1,0,1]=4 294 B5R1.2 NC1CCC1 SPC-a094 [1,0,0,0,1,0|1,0,1]=4 295 B5R1.2 O=C1CCN1 SPC-t120 [1,0,0,0,1,0|1,0,0]=3 296 B5R1.2 O=C1CNC1 SPC-h722 [1,0,0,0,1,0|1,0,0]=3 297 B5R1.2 O=C1CSC1 SPC-a100 [1,0,0,0,1,0|1,0,0]=3 298 B9R1.48 C[C@H]1CC(=O)NCCN1 SPC-p861 [0,0,0,0,0,2|1,0,0]=3