0 B6R1.2 BrC1=CCCC1 AMY38286 [0,0,0,0,0,0|1,0,2]=3 1 B6R1.2 BrC1CCCC1 AM20080273 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.2 Br[C@H]1CCNC1 AM101739 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.2 Br[C@H]1CCNC1 AM101740 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 Br[C@H]1CCNC1 AM101781 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 Br[C@H]1CCNC1 AM91615 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 Br[C@H]1CCNC1 AM96305 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 Br[C@H]1CCNC1 AM96372 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 Br[C@H]1CCOC1 AM20090126 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 C=C1CCOC1 AMY6014 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 CC1=CCCC1 AMY6023 [0,0,0,0,0,0|1,0,2]=3 11 B6R1.2 CC1=NCCC1 AMY886 [0,0,0,0,0,0|2,0,1]=3 12 B6R1.2 CC1=NCCS1 AMY23228 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 CC1CCCC1 AMY21930 [0,0,0,0,0,0|1,0,0]=1 14 B6R1.2 CN1CCCC1 AMY25542 [0,0,0,0,0,0|2,0,0]=2 15 B6R1.2 C[C@@H]1CCNC1 AMY37511 [0,0,0,0,0,0|2,0,0]=2 16 B6R1.2 C[C@H]1CCCN1 AM20080260 [0,0,0,0,0,0|2,0,0]=2 17 B6R1.2 C[C@H]1CCCN1 AM20090040 [0,0,0,0,0,0|2,0,0]=2 18 B6R1.2 C[C@H]1CCCN1 AM20100102 [0,0,0,0,0,0|2,0,0]=2 19 B6R1.2 C[C@H]1CCCN1 AM20100445 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 C[C@H]1CCCN1 AM20100751 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 C[C@H]1CCCO1 AM81816 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 C[C@H]1CCNC1 AM803039 [0,0,0,0,0,0|2,0,0]=2 23 B6R1.2 C[C@H]1CCNC1 AM803735 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 C[C@H]1CCNC1 AMY37562 [0,0,0,0,0,0|2,0,0]=2 25 B6R1.2 ClC1CCCC1 AMY22306 [0,0,0,0,0,0|1,0,0]=1 26 B6R1.2 Cl[C@H]1CCNC1 AM90551 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 Cl[C@H]1CCNC1 AM90553 [0,0,0,0,0,0|2,0,0]=2 28 B6R1.2 Cl[C@H]1CCNC1 AM90576 [0,0,0,0,0,0|2,0,0]=2 29 B6R1.2 Cl[C@H]1CCNC1 AM90577 [0,0,0,0,0,0|2,0,0]=2 30 B6R1.2 Cl[C@H]1CCNC1 AM91617 [0,0,0,0,0,0|2,0,0]=2 31 B6R1.2 Cl[C@H]1CCNC1 AM96290 [0,0,0,0,0,0|2,0,0]=2 32 B6R1.2 Cl[C@H]1CCOC1 AM100455 [0,0,0,0,0,0|2,0,0]=2 33 B6R1.2 F[C@H]1CCNC1 AM20080115 [0,0,0,0,0,0|2,0,0]=2 34 B6R1.2 F[C@H]1CCNC1 AM20080270 [0,0,0,0,0,0|2,0,0]=2 35 B6R1.2 F[C@H]1CCNC1 AM20080271 [0,0,0,0,0,0|2,0,0]=2 36 B6R1.2 F[C@H]1CCNC1 AM20090020 [0,0,0,0,0,0|2,0,0]=2 37 B6R1.2 F[C@H]1CCNC1 AMY41754 [0,0,0,0,0,0|2,0,0]=2 38 B6R1.2 IC1CCCC1 AMY3844 [0,0,0,0,0,0|1,0,0]=1 39 B6R1.2 I[C@H]1CCNC1 AM91594 [0,0,0,0,0,0|2,0,0]=2 40 B6R1.2 I[C@H]1CCNC1 AM91619 [0,0,0,0,0,0|2,0,0]=2 41 B6R1.2 I[C@H]1CCNC1 AM91621 [0,0,0,0,0,0|2,0,0]=2 42 B6R1.2 I[C@H]1CCNC1 AM92136 [0,0,0,0,0,0|2,0,0]=2 43 B6R1.2 I[C@H]1CCNC1 AM95453 [0,0,0,0,0,0|2,0,0]=2 44 B6R1.2 I[C@H]1CCNC1 AM96429 [0,0,0,0,0,0|2,0,0]=2 45 B6R1.2 I[C@H]1CCOC1 AM20080159 [0,0,0,0,0,0|2,0,0]=2 46 B6R1.2 N=C1CCCC1 AMY39966 [0,0,0,0,0,0|1,0,1]=2 47 B6R1.2 NC1=NCCS1 AMY202003298 [0,0,0,0,0,0|3,0,1]=4 48 B6R1.2 NC1CC=CC1 AM20120323 [0,0,0,0,0,0|1,0,2]=3 49 B6R1.2 NC1CCCC1 AMY3757 [0,0,0,0,0,0|1,0,0]=1 50 B6R1.2 N[C@@H]1CCCN1 AMY9118 [0,0,0,0,0,0|2,0,0]=2 51 B6R1.2 N[C@H]1CCNC1 AM81992 [0,0,0,0,0,0|2,0,0]=2 52 B6R1.2 N[C@H]1CCNC1 AM81993 [0,0,0,0,0,0|2,0,0]=2 53 B6R1.2 N[C@H]1CCNC1 AM85320 [0,0,0,0,0,0|2,0,0]=2 54 B6R1.2 N[C@H]1CCOC1 AM20080063 [0,0,0,0,0,0|2,0,0]=2 55 B6R1.2 N[C@H]1CCOC1 AM20120276 [0,0,0,0,0,0|2,0,0]=2 56 B6R1.2 N[C@H]1CCOC1 AM62692 [0,0,0,0,0,0|2,0,0]=2 57 B6R1.2 N[C@H]1CCOC1 AMY4352 [0,0,0,0,0,0|2,0,0]=2 58 B6R1.2 N[C@H]1CCOC1 AMY5964 [0,0,0,0,0,0|2,0,0]=2 59 B6R1.2 O=C1C=CCC1 AM61702 [0,0,0,0,0,0|0,1,3]=4 60 B6R1.2 O=C1CCCC1 AMY37126 [0,0,0,0,0,0|0,1,1]=2 61 B6R1.2 O=C1CCCN1 AMY25506 [0,0,0,0,0,0|1,1,1]=3 62 B6R1.2 O=C1CCNC1 AM20120384 [0,0,0,0,0,0|1,1,1]=3 63 B6R1.2 O=C1CCNC1 AMY6183 [0,0,0,0,0,0|1,1,1]=3 64 B6R1.2 O=C1CCNN1 AMY39277 [0,0,0,0,0,0|2,1,1]=4 65 B6R1.2 O=C1CCOC1 AM20090235 [0,0,0,0,0,0|1,1,1]=3 66 B6R1.2 O=C1CCSC1 AMY23378 [0,0,0,0,0,0|1,1,1]=3 67 B6R1.2 O=C1CNCN1 AM84594 [0,0,0,0,0,0|2,1,1]=4 68 B6R1.2 O=C1NCCN1 AM20080146 [0,0,0,0,0,0|2,1,1]=4 69 B6R1.2 O=C1NCCO1 AMY39498 [0,0,0,0,0,0|2,1,1]=4 70 B6R1.2 OC1CC=CC1 AMY9178 [0,0,0,0,0,0|0,1,2]=3 71 B6R1.2 OC1CCCC1 AMY3616 [0,0,0,0,0,0|0,1,0]=1 72 B6R1.2 O[C@@H]1CCCO1 AMY20193 [0,0,0,0,0,0|1,1,0]=2 73 B6R1.2 O[C@@H]1CCNO1 AMY37646 [0,0,0,0,0,0|2,1,0]=3 74 B6R1.2 O[C@H]1CCNC1 AM20070695 [0,0,0,0,0,0|1,1,0]=2 75 B6R1.2 O[C@H]1CCNC1 AM20080166 [0,0,0,0,0,0|1,1,0]=2 76 B6R1.2 O[C@H]1CCNC1 AM20090354 [0,0,0,0,0,0|1,1,0]=2 77 B6R1.2 O[C@H]1CCNC1 AM20100082 [0,0,0,0,0,0|1,1,0]=2 78 B6R1.2 O[C@H]1CCNC1 AM90404 [0,0,0,0,0,0|1,1,0]=2 79 B6R1.2 O[C@H]1CCNO1 AMY37647 [0,0,0,0,0,0|2,1,0]=3 80 B6R1.2 O[C@H]1CCOC1 AM20100156 [0,0,0,0,0,0|1,1,0]=2 81 B6R1.2 O[C@H]1CCOC1 AM20110236 [0,0,0,0,0,0|1,1,0]=2 82 B6R1.2 O[C@H]1CCOC1 AM20110237 [0,0,0,0,0,0|1,1,0]=2 83 B6R1.2 O[C@H]1CCSC1 AM20090505 [0,0,0,0,0,0|1,1,0]=2 84 B6R1.2 SC1=NCCS1 AMY23225 [0,0,0,0,0,0|2,0,1]=3 85 B6R1.2 S[C@H]1CCOC1 AM101772 [0,0,0,0,0,0|1,0,0]=1 86 B5R1.1 C1=CCNC1 AM20100570 [1,0,0,0,0,0|1,0,2]=4 87 B5R1.1 C1=CCNC1 AM9928 [1,0,0,0,0,0|1,0,2]=4 88 B5R1.1 C1=CCOC1 AM81814 [1,0,0,0,0,0|1,0,2]=4 89 B5R1.1 C1=CNCC1 AMY6075 [1,0,0,0,0,0|1,0,2]=4 90 B5R1.1 C1CCNC1 AMY10044 [1,0,0,0,0,0|1,0,0]=2 91 B5R1.1 C1CCOC1 AMY11079 [1,0,0,0,0,0|1,0,0]=2 92 B5R1.1 C1CCOC1 AMY14809 [1,0,0,0,0,0|1,0,0]=2 93 B5R1.1 C1CCOC1 AMY14877 [1,0,0,0,0,0|1,0,0]=2 94 B5R1.1 C1CNNC1 AMY28694 [1,0,0,0,0,0|2,0,0]=3 95 B5R1.1 C1CNOC1 AM803837 [1,0,0,0,0,0|2,0,0]=3 96 B5R1.1 C1COCN1 AMY42397 [1,0,0,0,0,0|2,0,0]=3 97 B5R1.1 C1CSCN1 AMY40189 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.1 BrCC1CCCC1 AMY6992 [0,1,0,0,0,0|1,0,0]=2 99 B7R1.1 BrCC1OCCO1 AMY39416 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.1 BrC[C@H]1CCCN1 AM100802 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.1 BrC[C@H]1CCCN1 AM102098 [0,1,0,0,0,0|2,0,0]=3 102 B7R1.1 BrC[C@H]1CCCN1 AM93871 [0,1,0,0,0,0|2,0,0]=3 103 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [0,1,0,0,0,0|2,0,0]=3 104 B7R1.1 BrC[C@H]1CCNC1 AM91583 [0,1,0,0,0,0|2,0,0]=3 105 B7R1.1 BrC[C@H]1CCNC1 AM94346 [0,1,0,0,0,0|2,0,0]=3 106 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.1 C=CN1CCCC1 AM85776 [0,1,0,0,0,0|2,0,0]=3 108 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.1 CC[C@H]1CCNC1 AMY34423 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.1 CNC1CCCC1 AMY10584 [0,1,0,0,0,0|1,0,0]=2 113 B7R1.1 CN[C@@H]1CCOC1 AMY37512 [0,1,0,0,0,0|2,0,0]=3 114 B7R1.1 CN[C@H]1CCNC1 AM101327 [0,1,0,0,0,0|2,0,0]=3 115 B7R1.1 CN[C@H]1CCNC1 AM97548 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.1 CN[C@H]1CCNC1 AM97549 [0,1,0,0,0,0|2,0,0]=3 117 B7R1.1 CN[C@H]1CCOC1 AM20120293 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.1 CN[C@H]1CCOC1 AMY34214 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.1 CN[C@H]1CCOC1 AMY37563 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.1 CO[C@H]1CCNC1 AM100854 [0,1,0,0,0,0|1,1,0]=3 121 B7R1.1 CO[C@H]1CCNC1 AM20100541 [0,1,0,0,0,0|1,1,0]=3 122 B7R1.1 CO[C@H]1CCNC1 AM91096 [0,1,0,0,0,0|1,1,0]=3 123 B7R1.1 CO[C@H]1CCNC1 AM91097 [0,1,0,0,0,0|1,1,0]=3 124 B7R1.1 CO[C@H]1CCNC1 AM97517 [0,1,0,0,0,0|1,1,0]=3 125 B7R1.1 CSC1=NCCS1 AM832 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.1 CSC1=NCCS1 AMY22060 [0,1,0,0,0,0|2,0,1]=4 127 B7R1.1 ClC[C@H]1CCCN1 AM100703 [0,1,0,0,0,0|2,0,0]=3 128 B7R1.1 ClC[C@H]1CCCN1 AM100886 [0,1,0,0,0,0|2,0,0]=3 129 B7R1.1 ClC[C@H]1CCCN1 AM100930 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.1 ClC[C@H]1CCNC1 AM101443 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.1 ClC[C@H]1CCNC1 AM91070 [0,1,0,0,0,0|2,0,0]=3 132 B7R1.1 FC[C@H]1CCCN1 AM20110257 [0,1,0,0,0,0|2,0,0]=3 133 B7R1.1 IC[C@H]1CCCN1 AM100991 [0,1,0,0,0,0|2,0,0]=3 134 B7R1.1 IC[C@H]1CCCN1 AM92918 [0,1,0,0,0,0|2,0,0]=3 135 B7R1.1 IC[C@H]1CCCN1 AM96723 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.1 IC[C@H]1CCNC1 AM91584 [0,1,0,0,0,0|2,0,0]=3 137 B7R1.1 IC[C@H]1CCNC1 AM94098 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.1 IC[C@H]1CCOC1 AMY33647 [0,1,0,0,0,0|2,0,0]=3 139 B7R1.1 N#CN1CCCC1 AMY41640 [0,1,0,0,0,0|2,0,0]=3 140 B7R1.1 N#C[C@@H]1CCCN1 AMY14984 [0,1,0,0,0,0|2,0,0]=3 141 B7R1.1 N#C[C@@H]1CCCN1 AMY34394 [0,1,0,0,0,0|2,0,0]=3 142 B7R1.1 N#C[C@@H]1CCCN1 AMY35407 [0,1,0,0,0,0|2,0,0]=3 143 B7R1.1 N#C[C@@H]1CCCS1 AM806595 [0,1,0,0,0,0|2,0,0]=3 144 B7R1.1 N#C[C@@H]1CCNC1 AMY37510 [0,1,0,0,0,0|2,0,0]=3 145 B7R1.1 N#C[C@H]1CCNC1 AM20080099 [0,1,0,0,0,0|2,0,0]=3 146 B7R1.1 N#C[C@H]1CCNC1 AM20080100 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.1 N#C[C@H]1CCNC1 AMY37559 [0,1,0,0,0,0|2,0,0]=3 148 B7R1.1 N#C[C@H]1CCOC1 AMY2709 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.1 NCC1CCCC1 AM20100430 [0,1,0,0,0,0|1,0,0]=2 150 B7R1.1 NCC1CCCC1 AM804123 [0,1,0,0,0,0|1,0,0]=2 151 B7R1.1 NC[C@H]1CCCN1 AM20100417 [0,1,0,0,0,0|2,0,0]=3 152 B7R1.1 NC[C@H]1CCCN1 AMY5139 [0,1,0,0,0,0|2,0,0]=3 153 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,1,0,0,0,0|2,0,0]=3 154 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.1 NC[C@H]1CCOC1 AM20070698 [0,1,0,0,0,0|2,0,0]=3 156 B7R1.1 NC[C@H]1CCOC1 AM20070699 [0,1,0,0,0,0|2,0,0]=3 157 B7R1.1 NC[C@H]1CCOC1 AM20080467 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.1 NC[C@H]1CCOC1 AM20090079 [0,1,0,0,0,0|2,0,0]=3 159 B7R1.1 NNC1CCCC1 AM803574 [0,1,0,0,0,0|1,0,0]=2 160 B7R1.1 NN[C@@H]1CCOC1 AMY37477 [0,1,0,0,0,0|2,0,0]=3 161 B7R1.1 NN[C@H]1CCOC1 AM9768 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.1 NN[C@H]1CCOC1 AMY13662 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.1 NOC1CCCC1 AMY27645 [0,1,0,0,0,0|0,1,0]=2 164 B7R1.1 O=CC1=CCCC1 AMY30885 [0,1,0,0,0,0|0,1,2]=4 165 B7R1.1 O=CC1CCCC1 AM83284 [0,1,0,0,0,0|0,1,0]=2 166 B7R1.1 O=CN1CCCC1 AMY24174 [0,1,0,0,0,0|1,1,0]=3 167 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [0,1,0,0,0,0|1,1,0]=3 168 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [0,1,0,0,0,0|1,1,0]=3 169 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [0,1,0,0,0,0|1,1,0]=3 170 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [0,1,0,0,0,0|1,1,0]=3 171 B7R1.1 O=C[C@H]1CCNC1 AM101346 [0,1,0,0,0,0|1,1,0]=3 172 B7R1.1 O=C[C@H]1CCNC1 AM94342 [0,1,0,0,0,0|1,1,0]=3 173 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [0,1,0,0,0,0|1,1,0]=3 174 B7R1.1 OCC1CC=CC1 AM20090293 [0,1,0,0,0,0|0,1,2]=4 175 B7R1.1 OCC1CCCC1 AM20090579 [0,1,0,0,0,0|0,1,0]=2 176 B7R1.1 OCC1OCCO1 AMY35660 [0,1,0,0,0,0|2,1,0]=4 177 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [0,1,0,0,0,0|1,1,0]=3 178 B7R1.1 OC[C@H]1CCCN1 AM20100639 [0,1,0,0,0,0|1,1,0]=3 179 B7R1.1 OC[C@H]1CCCN1 AM803960 [0,1,0,0,0,0|1,1,0]=3 180 B7R1.1 OC[C@H]1CCCN1 AM82208 [0,1,0,0,0,0|1,1,0]=3 181 B7R1.1 OC[C@H]1CCCO1 AM81815 [0,1,0,0,0,0|1,1,0]=3 182 B7R1.1 OC[C@H]1CCCO1 AMY19266 [0,1,0,0,0,0|1,1,0]=3 183 B7R1.1 OC[C@H]1CCNC1 AM20080050 [0,1,0,0,0,0|1,1,0]=3 184 B7R1.1 OC[C@H]1CCNC1 AM20100247 [0,1,0,0,0,0|1,1,0]=3 185 B7R1.1 OC[C@H]1CCNC1 AMY20013 [0,1,0,0,0,0|1,1,0]=3 186 B7R1.1 OC[C@H]1CCOC1 AM20080182 [0,1,0,0,0,0|1,1,0]=3 187 B7R1.1 OC[C@H]1CCOC1 AM20080421 [0,1,0,0,0,0|1,1,0]=3 188 B7R1.1 OC[C@H]1CCOC1 AMY23730 [0,1,0,0,0,0|1,1,0]=3 189 B7R1.1 ON=C1CCCC1 AM20080131 [0,1,0,0,0,0|0,1,1]=3 190 B7R1.1 SC[C@H]1CCNC1 AM98788 [0,1,0,0,0,0|1,0,0]=2 191 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,1,0,0,0,0|1,1,1]=4 192 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,1,0,0,0,0|1,1,1]=4 193 B7R1.2 CN1CC[C@@H](N)C1 AMY4251 [0,1,0,0,0,0|2,0,0]=3 194 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [0,1,0,0,0,0|1,1,0]=3 195 B7R1.2 CN1CC[C@H](Br)C1 AM90549 [0,1,0,0,0,0|2,0,0]=3 196 B7R1.2 CN1CC[C@H](Br)C1 AM95159 [0,1,0,0,0,0|2,0,0]=3 197 B7R1.2 CN1CC[C@H](Br)C1 AM95472 [0,1,0,0,0,0|2,0,0]=3 198 B7R1.2 CN1CC[C@H](Cl)C1 AM90550 [0,1,0,0,0,0|2,0,0]=3 199 B7R1.2 CN1CC[C@H](Cl)C1 AM95465 [0,1,0,0,0,0|2,0,0]=3 200 B7R1.2 CN1CC[C@H](Cl)C1 AM96651 [0,1,0,0,0,0|2,0,0]=3 201 B7R1.2 CN1CC[C@H](I)C1 AM95042 [0,1,0,0,0,0|2,0,0]=3 202 B7R1.2 CN1CC[C@H](I)C1 AM96157 [0,1,0,0,0,0|2,0,0]=3 203 B7R1.2 CN1CC[C@H](I)C1 AM96345 [0,1,0,0,0,0|2,0,0]=3 204 B7R1.2 CN1CC[C@H](N)C1 AM100508 [0,1,0,0,0,0|2,0,0]=3 205 B7R1.2 CN1CC[C@H](N)C1 AM20080232 [0,1,0,0,0,0|2,0,0]=3 206 B7R1.2 CN1CC[C@H](N)C1 AM20100169 [0,1,0,0,0,0|2,0,0]=3 207 B7R1.2 CN1CC[C@H](N)C1 AMY4271 [0,1,0,0,0,0|2,0,0]=3 208 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [0,1,0,0,0,0|1,1,0]=3 209 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [0,1,0,0,0,0|1,1,0]=3 210 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,1,0,0,0,0|1,1,1]=4 211 B7R1.2 C[C@@H]1CC[C@@H](C)N1 AMY202003238 [0,1,0,0,0,0|2,0,0]=3 212 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,1,0,0,0,0|1,1,1]=4 213 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [0,1,0,0,0,0|1,1,0]=3 214 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,1,0,0,0,0|0,1,1]=3 215 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,1,0,0,0,0|1,1,1]=4 216 B7R1.2 C[C@H]1CC[C@H](C)N1 AMY202003211 [0,1,0,0,0,0|2,0,0]=3 217 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,1,0,0,0,0|1,1,1]=4 218 B7R1.2 C[C@H]1C[C@@H](N)CN1 AMY19213 [0,1,0,0,0,0|2,0,0]=3 219 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [0,1,0,0,0,0|1,1,0]=3 220 B7R1.2 C[C@H]1C[C@H](N)CN1 AMY19217 [0,1,0,0,0,0|2,0,0]=3 221 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [0,1,0,0,0,0|1,1,0]=3 222 B7R1.2 NC1CCC(O)C1 AMY19619 [0,1,0,0,0,0|0,1,0]=2 223 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [0,1,0,0,0,0|0,1,0]=2 224 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [0,1,0,0,0,0|0,1,0]=2 225 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,1,0,0,0,0|1,1,1]=4 226 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,1,0,0,0,0|1,1,1]=4 227 B7R1.2 N[C@H]1CC[C@@H](F)C1 AMY34349 [0,1,0,0,0,0|1,0,0]=2 228 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [0,1,0,0,0,0|0,1,0]=2 229 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [0,1,0,0,0,0|0,1,0]=2 230 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [0,1,0,0,0,0|0,1,0]=2 231 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [0,1,0,0,0,0|0,1,0]=2 232 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,1,0,0,0,0|1,1,1]=4 233 B7R1.2 O=C1CCC(=O)C1 AM20100026 [0,1,0,0,0,0|0,1,2]=4 234 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,1,0,0,0,0|0,1,1]=3 235 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,1,0,0,0,0|1,1,1]=4 236 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,1,0,0,0,0|1,1,1]=4 237 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,1,0,0,0,0|1,1,1]=4 238 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,1,0,0,0,0|1,1,1]=4 239 B7R1.2 OC1CCC(O)C1 AMY33501 [0,1,0,0,0,0|0,1,0]=2 240 B7R1.2 [CH][C@H]1CCN(C)C1 AMY4401 [0,1,0,0,0,0|2,0,0]=3 241 B7R1.4 CC1CNCC1O AM806548 [0,1,0,0,0,0|1,1,0]=3 242 B7R1.4 CN1CCCC1=O AM20110252 [0,1,0,0,0,0|1,1,1]=4 243 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,1,0,0,0,0|1,1,1]=4 244 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,1,0,0,0,0|0,1,1]=3 245 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,1,0,0,0,0|1,1,1]=4 246 B7R1.4 F[C@H]1CNC[C@@H]1F AMY23623 [0,1,0,0,0,0|2,0,0]=3 247 B7R1.4 F[C@H]1CNC[C@H]1F AMY34058 [0,1,0,0,0,0|2,0,0]=3 248 B7R1.4 NC1CCCC1N AMY40491 [0,1,0,0,0,0|1,0,0]=2 249 B7R1.4 NC1CCCC1O AMY1026 [0,1,0,0,0,0|0,1,0]=2 250 B7R1.4 NC1COCC1F AMY23754 [0,1,0,0,0,0|2,0,0]=3 251 B7R1.4 NC1COCC1O AM803216 [0,1,0,0,0,0|1,1,0]=3 252 B7R1.4 NN1CCCC1=O AM84704 [0,1,0,0,0,0|1,1,1]=4 253 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,1,0,0,0,0|0,1,0]=2 254 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,1,0,0,0,0|0,1,0]=2 255 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [0,1,0,0,0,0|1,1,1]=4 256 B7R1.4 N[C@@H]1COC[C@@H]1N AMY16787 [0,1,0,0,0,0|2,0,0]=3 257 B7R1.4 N[C@@H]1COC[C@H]1O AMY34430 [0,1,0,0,0,0|1,1,0]=3 258 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,1,0,0,0,0|0,1,0]=2 259 B7R1.4 N[C@H]1CCC[C@H]1N AMY35199 [0,1,0,0,0,0|1,0,0]=2 260 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,1,0,0,0,0|0,1,0]=2 261 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,1,0,0,0,0|1,1,1]=4 262 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,1,0,0,0,0|1,1,1]=4 263 B7R1.4 N[C@H]1CCOC1=O AM20090203 [0,1,0,0,0,0|1,1,1]=4 264 B7R1.4 N[C@H]1CCOC1=O AMY21622 [0,1,0,0,0,0|1,1,1]=4 265 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,1,0,0,0,0|1,1,1]=4 266 B7R1.4 N[C@H]1COC[C@@H]1O AMY34415 [0,1,0,0,0,0|1,1,0]=3 267 B7R1.4 O=C1CCCC1=O AMY23435 [0,1,0,0,0,0|0,1,2]=4 268 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,1,0,0,0,0|0,1,1]=3 269 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,1,0,0,0,0|1,1,1]=4 270 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,1,0,0,0,0|1,1,1]=4 271 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,1,0,0,0,0|1,1,1]=4 272 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [0,1,0,0,0,0|1,1,1]=4 273 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [0,1,0,0,0,0|0,1,0]=2 274 B7R1.4 O[C@H]1CNC[C@@H]1F AMY34432 [0,1,0,0,0,0|1,1,0]=3 275 B7R1.4 O[C@H]1CNC[C@@H]1O AMY19214 [0,1,0,0,0,0|1,1,0]=3 276 B7R1.4 O[C@H]1CNC[C@@H]1O AMY6780 [0,1,0,0,0,0|1,1,0]=3 277 B7R1.4 O[C@H]1CNC[C@H]1F AMY35198 [0,1,0,0,0,0|1,1,0]=3 278 B7R1.4 O[C@H]1CNC[C@H]1O AMY16905 [0,1,0,0,0,0|1,1,0]=3 279 B7R1.4 O[C@H]1COC[C@H]1O AMY16786 [0,1,0,0,0,0|1,1,0]=3 280 B7R1.14 CC1(C)CCCN1 AM804148 [0,1,0,0,0,0|2,0,0]=3 281 B7R1.14 CC1(C)CCCN1 AMY17888 [0,1,0,0,0,0|2,0,0]=3 282 B7R1.14 CC1(C)CCNC1 AM20090533 [0,1,0,0,0,0|2,0,0]=3 283 B7R1.14 CC1(C)CCNC1 AMY33663 [0,1,0,0,0,0|2,0,0]=3 284 B7R1.14 CC1(C)NCCO1 AMY42458 [0,1,0,0,0,0|3,0,0]=4 285 B7R1.14 CC1(C)NCCS1 AMY2745 [0,1,0,0,0,0|3,0,0]=4 286 B7R1.14 CC1(N)CCCC1 AM808157 [0,1,0,0,0,0|1,0,0]=2 287 B7R1.14 CC1(O)CCCC1 AMY25573 [0,1,0,0,0,0|0,1,0]=2 288 B7R1.14 C[C@@]1(O)CCNC1 AMY34411 [0,1,0,0,0,0|1,1,0]=3 289 B7R1.14 C[C@]1(N)CCNC1 AM20080696 [0,1,0,0,0,0|2,0,0]=3 290 B7R1.14 C[C@]1(N)CCOC1 AMY33678 [0,1,0,0,0,0|2,0,0]=3 291 B7R1.14 C[C@]1(O)CCNC1 AM20080194 [0,1,0,0,0,0|1,1,0]=3 292 B7R1.14 C[C@]1(O)CCNC1 AMY19290 [0,1,0,0,0,0|1,1,0]=3 293 B7R1.14 C[Si]1(C)CCCC1 AMY42241 [0,1,0,0,0,0|1,1,0]=3 294 B7R1.14 FC1(F)CCCC1 AMY5924 [0,1,0,0,0,0|1,0,0]=2 295 B7R1.14 FC1(F)CCNC1 AM20080456 [0,1,0,0,0,0|2,0,0]=3 296 B7R1.14 FC1(F)CCNC1 AMY15564 [0,1,0,0,0,0|2,0,0]=3 297 B7R1.14 O=S1(=O)CCCC1 AMY33385 [0,1,0,0,0,0|1,1,0]=3 298 B7R1.14 O=S1(=O)CCCN1 AMY9120 [0,1,0,0,0,0|2,1,0]=4 299 B5R0.1 C=C(C)CCBr AMY7022 [0,0,1,0,0,0|2,0,1]=4 300 B5R0.1 C=CC[C@H](C)N AM9152 [0,0,1,0,0,0|1,0,2]=4 301 B5R0.1 C=CC[C@H](C)O AM804193 [0,0,1,0,0,0|0,1,2]=4 302 B5R0.1 CC(=O)CCO AMY31061 [0,0,1,0,0,0|1,1,1]=4 303 B5R0.1 CC(C)CNN AM806328 [0,0,1,0,0,0|3,0,0]=4 304 B5R0.1 CC(C)CNN AM9787 [0,0,1,0,0,0|3,0,0]=4 305 B5R0.1 CC(C)CON AMY31434 [0,0,1,0,0,0|3,0,0]=4 306 B5R0.1 CC(C)OCCl AMY23885 [0,0,1,0,0,0|3,0,0]=4 307 B5R0.1 CCCB(O)O AMY987 [0,0,1,0,0,0|2,1,0]=4 308 B5R0.1 CCCC(=N)N AM802888 [0,0,1,0,0,0|2,0,1]=4 309 B5R0.1 CCCC(=N)N AMY2389 [0,0,1,0,0,0|2,0,1]=4 310 B5R0.1 CCCC(C)=O AMY25524 [0,0,1,0,0,0|0,1,1]=3 311 B5R0.1 CCC[C@H](C)N AMY12548 [0,0,1,0,0,0|1,0,0]=2 312 B5R0.1 CCNC(C)C AMY13342 [0,0,1,0,0,0|2,0,0]=3 313 B5R0.1 CCOC(C)=N AM90190 [0,0,1,0,0,0|2,0,1]=4 314 B5R0.1 CCSC(C)=S AM90236 [0,0,1,0,0,0|1,0,2]=4 315 B5R0.1 CN(C)CCBr AM84884 [0,0,1,0,0,0|3,0,0]=4 316 B5R0.1 CN(C)CCCl AM20080022 [0,0,1,0,0,0|3,0,0]=4 317 B5R0.1 CN(C)CCCl AM20100171 [0,0,1,0,0,0|3,0,0]=4 318 B5R0.1 CN(C)CCN AM20080032 [0,0,1,0,0,0|3,0,0]=4 319 B5R0.1 CNCC(C)=O AM806508 [0,0,1,0,0,0|1,1,1]=4 320 B5R0.1 COC[C@@H](C)N AMY19545 [0,0,1,0,0,0|2,0,0]=3 321 B5R0.1 COC[C@H](C)O AM20100219 [0,0,1,0,0,0|1,1,0]=3 322 B5R0.1 C[C@@H](O)CCO AMY25740 [0,0,1,0,0,0|1,1,0]=3 323 B5R0.1 C[C@H](N)CCO AM84886 [0,0,1,0,0,0|2,0,0]=3 324 B5R0.1 C[C@H](N)CCO AM9719 [0,0,1,0,0,0|2,0,0]=3 325 B5R0.1 C[C@H](N)CCO AMY409 [0,0,1,0,0,0|2,0,0]=3 326 B5R0.1 C[C@H](O)CNN AM803409 [0,0,1,0,0,0|2,1,0]=4 327 B5R0.2 BrCCCCBr AM20080049 [0,0,1,0,0,0|2,0,0]=3 328 B5R0.2 C#CCCCC AMY1242 [0,0,1,0,0,0|1,0,1]=3 329 B5R0.2 C=CCCCBr AM20080066 [0,0,1,0,0,0|1,0,2]=4 330 B5R0.2 C=CCCCO AMY41353 [0,0,1,0,0,0|0,1,2]=4 331 B5R0.2 CCC#CCO AMY1239 [0,0,1,0,0,0|0,1,2]=4 332 B5R0.2 CCCCCBr AMY9378 [0,0,1,0,0,0|1,0,0]=2 333 B5R0.2 CCCCCC AMY22305 [0,0,1,0,0,0|1,0,0]=2 334 B5R0.2 CCCCCN AMY21878 [0,0,1,0,0,0|1,0,0]=2 335 B5R0.2 CCCCCS AMY19243 [0,0,1,0,0,0|0,0,0]=1 336 B5R0.2 CCCCNN AMY202003284 [0,0,1,0,0,0|2,0,0]=3 337 B5R0.2 CCCNCC AMY13343 [0,0,1,0,0,0|2,0,0]=3 338 B5R0.2 CNCCCN AM20100546 [0,0,1,0,0,0|2,0,0]=3 339 B5R0.2 CNCCNC AM86300 [0,0,1,0,0,0|3,0,0]=4 340 B5R0.2 COCCC#N AMY40960 [0,0,1,0,0,0|2,0,1]=4 341 B5R0.2 COCCCBr AM20090592 [0,0,1,0,0,0|2,0,0]=3 342 B5R0.2 COCCCCl AMY25654 [0,0,1,0,0,0|2,0,0]=3 343 B5R0.2 COCCCN AMY21871 [0,0,1,0,0,0|2,0,0]=3 344 B5R0.2 COCCCN AMY38449 [0,0,1,0,0,0|2,0,0]=3 345 B5R0.2 COCCCO AM20080231 [0,0,1,0,0,0|1,1,0]=3 346 B5R0.2 COCCNN AM803665 [0,0,1,0,0,0|3,0,0]=4 347 B5R0.2 COCCNN AMY202003278 [0,0,1,0,0,0|3,0,0]=4 348 B5R0.2 COCCOC AMY25530 [0,0,1,0,0,0|3,0,0]=4 349 B5R0.2 COCCON AMY27642 [0,0,1,0,0,0|3,0,0]=4 350 B5R0.2 CSCCCCl AMY744 [0,0,1,0,0,0|2,0,0]=3 351 B5R0.2 ClCCCCI AMY2538 [0,0,1,0,0,0|2,0,0]=3 352 B5R0.2 ClCCOCCl AMY38249 [0,0,1,0,0,0|3,0,0]=4 353 B5R0.2 N#CCCCBr AMY10438 [0,0,1,0,0,0|2,0,1]=4 354 B5R0.2 N#CCCCCl AMY40893 [0,0,1,0,0,0|2,0,1]=4 355 B5R0.2 NCCCCCl AMY15236 [0,0,1,0,0,0|2,0,0]=3 356 B5R0.2 NCCCCN AM20090504 [0,0,1,0,0,0|2,0,0]=3 357 B5R0.2 NCCCCO AMY17788 [0,0,1,0,0,0|1,1,0]=3 358 B5R0.3 C=C[C@@H](O)CC AMY851 [0,0,1,0,0,0|0,1,2]=4 359 B5R0.3 CC(CBr)CBr AMY21213 [0,0,1,0,0,0|3,0,0]=4 360 B5R0.3 CC(CI)CI AMY32062 [0,0,1,0,0,0|3,0,0]=4 361 B5R0.3 CCC(=O)CC AMY11060 [0,0,1,0,0,0|0,1,1]=3 362 B5R0.3 CCC(=O)OC AMY21940 [0,0,1,0,0,0|1,1,1]=4 363 B5R0.3 CCC(N)CC AMY4054 [0,0,1,0,0,0|1,0,0]=2 364 B5R0.3 CCN(C)CC AMY13336 [0,0,1,0,0,0|2,0,0]=3 365 B5R0.3 CCN(O)CC AMY25658 [0,0,1,0,0,0|1,1,0]=3 366 B5R0.3 CC[C@@H](N)CO AM85835 [0,0,1,0,0,0|2,0,0]=3 367 B5R0.3 CC[C@@H](O)CN AMY6653 [0,0,1,0,0,0|1,1,0]=3 368 B5R0.3 CC[C@@H](O)CO AMY40578 [0,0,1,0,0,0|1,1,0]=3 369 B5R0.3 CC[C@H](Br)CBr AMY31902 [0,0,1,0,0,0|2,0,0]=3 370 B5R0.3 CC[C@H](C)CBr AMY28688 [0,0,1,0,0,0|2,0,0]=3 371 B5R0.3 CC[C@H](C)NN AM803011 [0,0,1,0,0,0|3,0,0]=4 372 B5R0.3 CC[C@H](C)NN AM9772 [0,0,1,0,0,0|3,0,0]=4 373 B5R0.3 CC[C@H](N)CO AM85834 [0,0,1,0,0,0|2,0,0]=3 374 B5R0.3 CC[C@H](N)CO AM85988 [0,0,1,0,0,0|2,0,0]=3 375 B5R0.3 CC[C@H](O)CO AMY40584 [0,0,1,0,0,0|1,1,0]=3 376 B5R0.3 CO[C@@H](C)CN AMY21775 [0,0,1,0,0,0|3,0,0]=4 377 B5R0.3 C[C@@H](CO)CBr AMY14347 [0,0,1,0,0,0|3,0,0]=4 378 B5R0.3 ClCC(Cl)CCl AMY22833 [0,0,1,0,0,0|3,0,0]=4 379 B5R0.3 NC(CO)CO AM20100310 [0,0,1,0,0,0|3,0,0]=4 380 B5R0.3 NCC(O)CN AM20100500 [0,0,1,0,0,0|2,1,0]=4 381 B5R0.3 NC[C@H](F)CO AMY34391 [0,0,1,0,0,0|3,0,0]=4 382 B5R0.3 NC[C@H](O)CCl AMY31075 [0,0,1,0,0,0|2,1,0]=4 383 B5R0.3 NC[C@H](O)CO AM20100501 [0,0,1,0,0,0|2,1,0]=4 384 B5R0.3 NC[C@H](O)CO AM20100602 [0,0,1,0,0,0|2,1,0]=4 385 B5R0.3 NC[C@H](O)CO AMY18546 [0,0,1,0,0,0|2,1,0]=4 386 B5R0.3 OC[C@H](Br)CBr AMY25826 [0,0,1,0,0,0|3,0,0]=4 387 B5R0.3 OC[C@H](O)CCl AM81448 [0,0,1,0,0,0|2,1,0]=4 388 B5R0.3 OC[C@H](O)CCl AM81449 [0,0,1,0,0,0|2,1,0]=4 389 B5R0.3 OC[C@H](O)CCl AMY21866 [0,0,1,0,0,0|2,1,0]=4 390 B7R2.11 C1NC2CC1C2 AM803737 [0,0,0,1,0,0|2,0,0]=3 391 B7R2.11 C1NC2CC1C2 AMY33557 [0,0,0,1,0,0|2,0,0]=3 392 B7R2.13 C1CC2CC2N1 AM803615 [0,0,0,1,0,0|2,0,0]=3 393 B7R2.13 C1CC2OC2C1 AM20090363 [0,0,0,1,0,0|0,1,0]=2 394 B7R2.13 C1NCC2CC12 AM803636 [0,0,0,1,0,0|2,0,0]=3 395 B7R2.13 C1NCC2CC12 AMY5587 [0,0,0,1,0,0|2,0,0]=3 396 B5R1.2 BrC1CCC1 AM803913 [0,0,0,0,1,0|1,0,0]=2 397 B5R1.2 BrC1CNC1 AMY34832 [0,0,0,0,1,0|2,0,0]=3 398 B5R1.2 BrC1COC1 AM20020035 [0,0,0,0,1,0|2,0,0]=3 399 B5R1.2 CC1CNC1 AM20120351 [0,0,0,0,1,0|2,0,0]=3 400 B5R1.2 C[C@H]1CCN1 AM806564 [0,0,0,0,1,0|2,0,0]=3 401 B5R1.2 ClC1CCC1 AMY6175 [0,0,0,0,1,0|1,0,0]=2 402 B5R1.2 ClC1CNC1 AMY33719 [0,0,0,0,1,0|2,0,0]=3 403 B5R1.2 ClC1COC1 AMY34839 [0,0,0,0,1,0|2,0,0]=3 404 B5R1.2 FC1CNC1 AM20100512 [0,0,0,0,1,0|2,0,0]=3 405 B5R1.2 FC1CNC1 AMY12200 [0,0,0,0,1,0|2,0,0]=3 406 B5R1.2 FC1COC1 AM20020027 [0,0,0,0,1,0|2,0,0]=3 407 B5R1.2 IC1CCC1 AMY6180 [0,0,0,0,1,0|1,0,0]=2 408 B5R1.2 IC1COC1 AM20020026 [0,0,0,0,1,0|2,0,0]=3 409 B5R1.2 NC1CCC1 AMY2668 [0,0,0,0,1,0|1,0,0]=2 410 B5R1.2 NC1CCC1 AMY6177 [0,0,0,0,1,0|1,0,0]=2 411 B5R1.2 NC1CNC1 AMY6172 [0,0,0,0,1,0|2,0,0]=3 412 B5R1.2 NC1COC1 AM20020021 [0,0,0,0,1,0|2,0,0]=3 413 B5R1.2 NC1COC1 AM85383 [0,0,0,0,1,0|2,0,0]=3 414 B5R1.2 NC1CSC1 AM20120367 [0,0,0,0,1,0|2,0,0]=3 415 B5R1.2 N[C@@H]1CCO1 AMY1804 [0,0,0,0,1,0|2,0,0]=3 416 B5R1.2 O=C1CCC1 AM20070575 [0,0,0,0,1,0|0,1,1]=3 417 B5R1.2 O=C1CCN1 AMY18291 [0,0,0,0,1,0|1,1,1]=4 418 B5R1.2 O=C1CCO1 AM20020040 [0,0,0,0,1,0|1,1,1]=4 419 B5R1.2 O=C1CNC1 AM20090048 [0,0,0,0,1,0|1,1,1]=4 420 B5R1.2 O=C1CNC1 AM20100329 [0,0,0,0,1,0|1,1,1]=4 421 B5R1.2 O=C1COC1 AM20020042 [0,0,0,0,1,0|1,1,1]=4 422 B5R1.2 O=C1CSC1 AM20090216 [0,0,0,0,1,0|1,1,1]=4 423 B5R1.2 OC1CCC1 AM803645 [0,0,0,0,1,0|0,1,0]=2 424 B5R1.2 OC1CNC1 AM20100158 [0,0,0,0,1,0|1,1,0]=3 425 B5R1.2 OC1COC1 AM20020046 [0,0,0,0,1,0|1,1,0]=3 426 B5R1.2 OC1CSC1 AMY35636 [0,0,0,0,1,0|1,1,0]=3 427 B5R1.2 SC1COC1 AMY33758 [0,0,0,0,1,0|1,0,0]=2 428 B7R1.3 BrC1=CCCCC1 AMY38285 [0,0,0,0,0,1|1,0,1]=3 429 B7R1.3 BrC1CCNCC1 AM101554 [0,0,0,0,0,1|1,0,0]=2 430 B7R1.3 BrC1CCNCC1 AM20100339 [0,0,0,0,0,1|1,0,0]=2 431 B7R1.3 BrC1CCNCC1 AM90402 [0,0,0,0,0,1|1,0,0]=2 432 B7R1.3 BrC1CCOCC1 AM90079 [0,0,0,0,0,1|1,0,0]=2 433 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [0,0,0,0,0,1|1,0,1]=3 434 B7R1.3 Br[C@H]1CCCNC1 AM100929 [0,0,0,0,0,1|1,0,0]=2 435 B7R1.3 Br[C@H]1CCCNC1 AM90468 [0,0,0,0,0,1|1,0,0]=2 436 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [0,0,0,0,0,1|1,0,0]=2 437 B7R1.3 C=C1CCCCC1 AMY736 [0,0,0,0,0,1|1,0,1]=3 438 B7R1.3 C=C1CCCOC1 AMY6008 [0,0,0,0,0,1|1,0,1]=3 439 B7R1.3 C=C1CCNCC1 AMY5962 [0,0,0,0,0,1|1,0,1]=3 440 B7R1.3 C=C1CCNCC1 AMY6101 [0,0,0,0,0,1|1,0,1]=3 441 B7R1.3 C=C1CCNCC1 AMY6167 [0,0,0,0,0,1|1,0,1]=3 442 B7R1.3 C=C1CCOCC1 AMY34984 [0,0,0,0,0,1|1,0,1]=3 443 B7R1.3 CC1=CCNCC1 AMY33784 [0,0,0,0,0,1|1,0,2]=4 444 B7R1.3 CC1=CCOCC1 AMY5953 [0,0,0,0,0,1|1,0,2]=4 445 B7R1.3 CC1=COCCC1 AMY6007 [0,0,0,0,0,1|1,0,2]=4 446 B7R1.3 CC1CCNCC1 AMY23280 [0,0,0,0,0,1|1,0,0]=2 447 B7R1.3 CC1CCOCC1 AMY6168 [0,0,0,0,0,1|1,0,0]=2 448 B7R1.3 CC1SCCCS1 AMY24701 [0,0,0,0,0,1|2,0,0]=3 449 B7R1.3 CN1CCCCC1 AM20100531 [0,0,0,0,0,1|2,0,0]=3 450 B7R1.3 CN1CCNCC1 AM81360 [0,0,0,0,0,1|2,0,0]=3 451 B7R1.3 CN1CCOCC1 AMY14818 [0,0,0,0,0,1|2,0,0]=3 452 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [0,0,0,0,0,1|2,0,0]=3 453 B7R1.3 C[C@@H]1COCCN1 AMY21764 [0,0,0,0,0,1|2,0,0]=3 454 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,0,0,0,0,1|1,0,2]=4 455 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,0,0,0,0,1|1,0,0]=2 456 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,0,0,0,0,1|1,0,0]=2 457 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,0,0,0,0,1|1,0,0]=2 458 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,0,0,0,0,1|1,0,0]=2 459 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,0,0,0,0,1|1,0,0]=2 460 B7R1.3 C[C@H]1CNCCN1 AM20080043 [0,0,0,0,0,1|2,0,0]=3 461 B7R1.3 C[C@H]1CNCCN1 AM81347 [0,0,0,0,0,1|2,0,0]=3 462 B7R1.3 C[C@H]1CNCCN1 AM81348 [0,0,0,0,0,1|2,0,0]=3 463 B7R1.3 C[C@H]1CNCCO1 AM20090347 [0,0,0,0,0,1|2,0,0]=3 464 B7R1.3 C[C@H]1CNCCO1 AM85055 [0,0,0,0,0,1|2,0,0]=3 465 B7R1.3 C[C@H]1CNCCO1 AMY21629 [0,0,0,0,0,1|2,0,0]=3 466 B7R1.3 C[C@H]1CNCCO1 AMY9349 [0,0,0,0,0,1|2,0,0]=3 467 B7R1.3 C[C@H]1COCCN1 AM20100118 [0,0,0,0,0,1|2,0,0]=3 468 B7R1.3 C[C@H]1COCCN1 AM803755 [0,0,0,0,0,1|2,0,0]=3 469 B7R1.3 C[C@H]1COCCN1 AM804311 [0,0,0,0,0,1|2,0,0]=3 470 B7R1.3 C[C@H]1COCCN1 AM806455 [0,0,0,0,0,1|2,0,0]=3 471 B7R1.3 C[C@H]1COCCN1 AMY22799 [0,0,0,0,0,1|2,0,0]=3 472 B7R1.3 ClC1=CCCCC1 AM85974 [0,0,0,0,0,1|1,0,1]=3 473 B7R1.3 ClC1CCCCC1 AM90219 [0,0,0,0,0,1|1,0,0]=2 474 B7R1.3 ClC1CCNCC1 AM100920 [0,0,0,0,0,1|1,0,0]=2 475 B7R1.3 ClC1CCNCC1 AM20100323 [0,0,0,0,0,1|1,0,0]=2 476 B7R1.3 ClC1CCOCC1 AM794 [0,0,0,0,0,1|1,0,0]=2 477 B7R1.3 Cl[C@@H]1CC=CCC1 AMY13656 [0,0,0,0,0,1|1,0,1]=3 478 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [0,0,0,0,0,1|1,0,0]=2 479 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [0,0,0,0,0,1|1,0,0]=2 480 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [0,0,0,0,0,1|1,0,0]=2 481 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [0,0,0,0,0,1|1,0,0]=2 482 B7R1.3 FC1CCNCC1 AM20100405 [0,0,0,0,0,1|1,0,0]=2 483 B7R1.3 FC1CCOCC1 AM100580 [0,0,0,0,0,1|1,0,0]=2 484 B7R1.3 F[C@H]1CCCNC1 AM20080116 [0,0,0,0,0,1|1,0,0]=2 485 B7R1.3 IC1CCNCC1 AM101380 [0,0,0,0,0,1|1,0,0]=2 486 B7R1.3 IC1CCNCC1 AM94352 [0,0,0,0,0,1|1,0,0]=2 487 B7R1.3 IC1CCOCC1 AM20090312 [0,0,0,0,0,1|1,0,0]=2 488 B7R1.3 NC1=NCCCN1 AMY15652 [0,0,0,0,0,1|2,0,1]=4 489 B7R1.3 NC1CCCCC1 AM802905 [0,0,0,0,0,1|1,0,0]=2 490 B7R1.3 NC1CCNCC1 AM85323 [0,0,0,0,0,1|1,0,0]=2 491 B7R1.3 NC1CCNCC1 AM85335 [0,0,0,0,0,1|1,0,0]=2 492 B7R1.3 NC1CCOCC1 AM20090495 [0,0,0,0,0,1|1,0,0]=2 493 B7R1.3 NC1CCOCC1 AM20100013 [0,0,0,0,0,1|1,0,0]=2 494 B7R1.3 NC1CCOCC1 AM669 [0,0,0,0,0,1|1,0,0]=2 495 B7R1.3 NC1CCSCC1 AMY32230 [0,0,0,0,0,1|1,0,0]=2 496 B7R1.3 NC1CCSCC1 AMY3238 [0,0,0,0,0,1|1,0,0]=2 497 B7R1.3 NN1CCCCC1 AM85332 [0,0,0,0,0,1|2,0,0]=3 498 B7R1.3 NN1CCCCC1 AM85348 [0,0,0,0,0,1|2,0,0]=3 499 B7R1.3 NN1CCNCC1 AM20090429 [0,0,0,0,0,1|2,0,0]=3 500 B7R1.3 N[C@@H]1CCCNC1 AMY258 [0,0,0,0,0,1|1,0,0]=2 501 B7R1.3 N[C@@H]1CNCCN1 AM81376 [0,0,0,0,0,1|2,0,0]=3 502 B7R1.3 N[C@H]1CCCNC1 AM20090507 [0,0,0,0,0,1|1,0,0]=2 503 B7R1.3 N[C@H]1CCCNC1 AM20090508 [0,0,0,0,0,1|1,0,0]=2 504 B7R1.3 N[C@H]1CCCNC1 AM81346 [0,0,0,0,0,1|1,0,0]=2 505 B7R1.3 N[C@H]1CCCNC1 AMY19293 [0,0,0,0,0,1|1,0,0]=2 506 B7R1.3 N[C@H]1CCCOC1 AM20080156 [0,0,0,0,0,1|1,0,0]=2 507 B7R1.3 N[C@H]1CCCOC1 AM20120527 [0,0,0,0,0,1|1,0,0]=2 508 B7R1.3 N[C@H]1CCCOC1 AMY34426 [0,0,0,0,0,1|1,0,0]=2 509 B7R1.3 N[C@H]1CCCOC1 AMY41756 [0,0,0,0,0,1|1,0,0]=2 510 B7R1.3 N[C@H]1CCCOC1 AMY5963 [0,0,0,0,0,1|1,0,0]=2 511 B7R1.3 O=C1CCCCN1 AM20100626 [0,0,0,0,0,1|0,1,1]=3 512 B7R1.3 O=C1CCCNC1 AM20100504 [0,0,0,0,0,1|0,1,1]=3 513 B7R1.3 O=C1CCCNC1 AM81341 [0,0,0,0,0,1|0,1,1]=3 514 B7R1.3 O=C1CCCOC1 AM20090251 [0,0,0,0,0,1|0,1,1]=3 515 B7R1.3 O=C1CCCSC1 AM20090115 [0,0,0,0,0,1|0,1,1]=3 516 B7R1.3 O=C1CCNCC1 AM100807 [0,0,0,0,0,1|0,1,1]=3 517 B7R1.3 O=C1CCNCC1 AM20100060 [0,0,0,0,0,1|0,1,1]=3 518 B7R1.3 O=C1CCNCC1 AM803879 [0,0,0,0,0,1|0,1,1]=3 519 B7R1.3 O=C1CCOCC1 AM20090400 [0,0,0,0,0,1|0,1,1]=3 520 B7R1.3 O=C1CCSCC1 AM20080026 [0,0,0,0,0,1|0,1,1]=3 521 B7R1.3 O=C1CNCCN1 AM20100386 [0,0,0,0,0,1|1,1,1]=4 522 B7R1.3 O=C1CNCCO1 AM62713 [0,0,0,0,0,1|1,1,1]=4 523 B7R1.3 O=C1COCCN1 AM20080044 [0,0,0,0,0,1|1,1,1]=4 524 B7R1.3 O=C1CSCCN1 AMY10805 [0,0,0,0,0,1|1,1,1]=4 525 B7R1.3 O=C1NCCCN1 AM90187 [0,0,0,0,0,1|1,1,1]=4 526 B7R1.3 O=C1NCCCO1 AMY19041 [0,0,0,0,0,1|1,1,1]=4 527 B7R1.3 O=S1CCOCC1 AMY42358 [0,0,0,0,0,1|1,1,0]=3 528 B7R1.3 OC1CCNCC1 AM20100322 [0,0,0,0,0,1|0,1,0]=2 529 B7R1.3 OC1CCNCC1 AMY24233 [0,0,0,0,0,1|0,1,0]=2 530 B7R1.3 OC1CCOCC1 AM20090170 [0,0,0,0,0,1|0,1,0]=2 531 B7R1.3 OC1CCSCC1 AMY37357 [0,0,0,0,0,1|0,1,0]=2 532 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [0,0,0,0,0,1|0,1,1]=3 533 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [0,0,0,0,0,1|0,1,0]=2 534 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [0,0,0,0,0,1|1,1,0]=3 535 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,0,0,0,0,1|0,1,0]=2 536 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,0,0,0,0,1|0,1,0]=2 537 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,0,0,0,0,1|0,1,0]=2 538 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,0,0,0,0,1|0,1,0]=2 539 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,0,0,0,0,1|0,1,0]=2 540 B7R1.3 O[C@H]1CCCOC1 AM20090136 [0,0,0,0,0,1|0,1,0]=2 541 B7R1.3 S=C1COCCN1 AMY10049 [0,0,0,0,0,1|1,0,2]=4 542 B7R1.3 SC1=NCCCN1 AMY7063 [0,0,0,0,0,1|1,0,1]=3 543 B7R1.3 SC1CCCCC1 AMY11243 [0,0,0,0,0,1|0,0,0]=1 544 B7R1.3 SC1CCOCC1 AM100476 [0,0,0,0,0,1|0,0,0]=1 545 B7R1.3 S[C@H]1CCCNC1 AMY35402 [0,0,0,0,0,1|0,0,0]=1 546 B4R0.1 CC(C)CBr AMY25783 [1,0,1,0,0,0|2,0,0]=4 547 B4R0.1 CCC(C)[O-] AMY22246 [1,0,1,0,0,0|0,1,0]=3 548 B4R0.1 CCN(C)C AMY13339 [1,0,1,0,0,0|2,0,0]=4 549 B4R0.1 CC[C@H](C)O AMY11001 [1,0,1,0,0,0|0,1,0]=3 550 B4R0.1 CNC(C)C AMY13353 [1,0,1,0,0,0|2,0,0]=4 551 B4R0.1 C[C@@H](Cl)CO AMY21413 [1,0,1,0,0,0|2,0,0]=4 552 B4R0.1 C[C@@H](N)CN AMY3648 [1,0,1,0,0,0|2,0,0]=4 553 B4R0.1 C[C@H](Cl)CO AMY21357 [1,0,1,0,0,0|2,0,0]=4 554 B4R0.1 C[C@H](N)CN AMY3672 [1,0,1,0,0,0|2,0,0]=4 555 B4R0.1 C[C@H](N)CO AM20090557 [1,0,1,0,0,0|2,0,0]=4 556 B4R0.1 C[C@H](N)CO AM20100507 [1,0,1,0,0,0|2,0,0]=4 557 B4R0.1 C[C@H](O)CN AM20090353 [1,0,1,0,0,0|1,1,0]=4 558 B4R0.1 C[C@H](O)CN AM20100779 [1,0,1,0,0,0|1,1,0]=4 559 B4R0.1 C[C@H](O)CN AM81450 [1,0,1,0,0,0|1,1,0]=4 560 B4R0.1 [Li]CC(C)C AMY14929 [1,0,1,0,0,0|2,0,0]=4 561 B4R0.1 [Li][C@@H](C)CC AMY14890 [1,0,1,0,0,0|1,0,0]=3 562 B4R0.2 BrCCCBr AMY25527 [1,0,1,0,0,0|2,0,0]=4 563 B4R0.2 CCCCN AMY21914 [1,0,1,0,0,0|1,0,0]=3 564 B4R0.2 CCCNN AM9771 [1,0,1,0,0,0|2,0,0]=4 565 B4R0.2 CCNCC AMY25752 [1,0,1,0,0,0|1,0,0]=3 566 B4R0.2 CCPCC AMY11725 [1,0,1,0,0,0|1,0,0]=3 567 B4R0.2 CNCCCl AM803928 [1,0,1,0,0,0|2,0,0]=4 568 B4R0.2 CNCCF AMY202003232 [1,0,1,0,0,0|2,0,0]=4 569 B4R0.2 CNCCO AMY32697 [1,0,1,0,0,0|1,1,0]=4 570 B4R0.2 COCCCl AMY25739 [1,0,1,0,0,0|2,0,0]=4 571 B4R0.2 COCCN AM808206 [1,0,1,0,0,0|2,0,0]=4 572 B4R0.2 CSCCCl AMY15533 [1,0,1,0,0,0|2,0,0]=4 573 B4R0.2 CSCCN AMY33509 [1,0,1,0,0,0|2,0,0]=4 574 B4R0.2 CSCCO AMY19250 [1,0,1,0,0,0|1,1,0]=4 575 B4R0.2 ClCCCBr AMY40180 [1,0,1,0,0,0|2,0,0]=4 576 B4R0.2 ClCCCCl AMY22013 [1,0,1,0,0,0|2,0,0]=4 577 B4R0.2 ClCCCI AMY25762 [1,0,1,0,0,0|2,0,0]=4 578 B4R0.2 FCCCBr AMY28674 [1,0,1,0,0,0|2,0,0]=4 579 B4R0.2 NCCCBr AM20100225 [1,0,1,0,0,0|2,0,0]=4 580 B4R0.2 NCCCN AMY21886 [1,0,1,0,0,0|2,0,0]=4 581 B4R0.2 OCCCBr AM20100533 [1,0,1,0,0,0|1,1,0]=4 582 B4R0.2 OCCCCl AMY9478 [1,0,1,0,0,0|1,1,0]=4 583 B4R0.2 OCCCF AM1014 [1,0,1,0,0,0|1,1,0]=4 584 B4R0.2 SCCCBr AM806637 [1,0,1,0,0,0|1,0,0]=3 585 B4R0.2 [Li]CCCC AMY14790 [1,0,1,0,0,0|1,0,0]=3 586 B6R0.1 BrCC[C@H](Br)CBr AMY18008 [0,1,1,0,0,0|2,0,0]=4 587 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,1,1,0,0,0|1,1,0]=4 588 B6R0.1 C[C@H](CN)CCN AMY1782 [0,1,1,0,0,0|2,0,0]=4 589 B6R0.1 C[C@H](CO)CCO AMY37676 [0,1,1,0,0,0|1,1,0]=4 590 B6R0.1 OCC[C@H](O)CO AMY14876 [0,1,1,0,0,0|1,1,0]=4 591 B6R0.1 OCC[C@H](O)CO AMY6061 [0,1,1,0,0,0|1,1,0]=4 592 B6R0.2 CC(=O)CC(C)C AMY11098 [0,1,1,0,0,0|0,1,1]=4 593 B6R0.2 CC(C)C[C@H](C)N AMY36830 [0,1,1,0,0,0|1,0,0]=3 594 B6R0.2 CC(C)NC(C)C AMY8971 [0,1,1,0,0,0|2,0,0]=4 595 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [0,1,1,0,0,0|1,1,0]=4 596 B6R0.2 C[C@H](Cl)CN(C)C AM90213 [0,1,1,0,0,0|2,0,0]=4 597 B6R0.2 C[C@H](O)CN(C)C AMY13331 [0,1,1,0,0,0|1,1,0]=4 598 B6R0.3 CC(C)[C@@H](C)CO AMY19225 [0,1,1,0,0,0|2,0,0]=4 599 B6R0.3 CC(C)[C@@H](N)CO AM20080457 [0,1,1,0,0,0|2,0,0]=4 600 B6R0.3 CC(C)[C@@H](N)CO AM20090150 [0,1,1,0,0,0|2,0,0]=4 601 B6R0.3 CC(C)[C@@H](N)CO AM20100129 [0,1,1,0,0,0|2,0,0]=4 602 B6R0.3 CCC(=O)[C@H](C)Br AMY6079 [0,1,1,0,0,0|1,0,1]=4 603 B6R0.3 CN[C@@H](C)C(C)C AMY37353 [0,1,1,0,0,0|2,0,0]=4 604 B6R0.3 C[C@@H](O)[C@H](N)CO AMY22530 [0,1,1,0,0,0|1,1,0]=4 605 B6R0.4 CC(C)CCCO AMY39142 [0,1,1,0,0,0|1,0,0]=3 606 B6R0.4 CC(C)NCCCl AMY31121 [0,1,1,0,0,0|2,0,0]=4 607 B6R0.4 CC(C)OCCBr AM80879 [0,1,1,0,0,0|2,0,0]=4 608 B6R0.4 CCCCN(C)C AMY25818 [0,1,1,0,0,0|2,0,0]=4 609 B6R0.4 CCOCC(Br)Br AMY830 [0,1,1,0,0,0|2,0,0]=4 610 B6R0.4 CN(C)CCCCl AM84336 [0,1,1,0,0,0|2,0,0]=4 611 B6R0.4 CN(C)CCCCl AM90218 [0,1,1,0,0,0|2,0,0]=4 612 B6R0.4 CNCCC(C)C AMY37348 [0,1,1,0,0,0|1,0,0]=3 613 B6R0.4 CNCCC(C)C AMY37370 [0,1,1,0,0,0|1,0,0]=3 614 B6R0.4 CNCCN(C)C AMY10373 [0,1,1,0,0,0|2,0,0]=4 615 B6R0.4 C[C@H](Br)CCCBr AMY2526 [0,1,1,0,0,0|1,0,0]=3 616 B6R0.5 CC(C)(C)CCO AM20100528 [0,1,1,0,0,0|2,0,0]=4 617 B6R0.5 CC(C)(N)CCO AMY117 [0,1,1,0,0,0|2,0,0]=4 618 B6R0.5 CC(C)(O)CCN AMY42489 [0,1,1,0,0,0|1,1,0]=4 619 B6R0.5 CNCC(C)(C)O AM807013 [0,1,1,0,0,0|1,1,0]=4 620 B6R0.5 COCC(C)(C)O AMY9274 [0,1,1,0,0,0|1,1,0]=4 621 B6R0.6 BrCCCCCBr AMY11214 [0,1,1,0,0,0|1,0,0]=3 622 B6R0.6 C=CCCCCBr AM84859 [0,1,1,0,0,0|1,0,1]=4 623 B6R0.6 C=CCCCCO AM20100796 [0,1,1,0,0,0|0,1,1]=4 624 B6R0.6 CCCCCCC AMY22304 [0,1,1,0,0,0|1,0,0]=3 625 B6R0.6 CCCCCCN AMY21942 [0,1,1,0,0,0|1,0,0]=3 626 B6R0.6 CCCCNCC AMY3985 [0,1,1,0,0,0|1,0,0]=3 627 B6R0.6 CCCCON=O AMY4016 [0,1,1,0,0,0|1,1,0]=4 628 B6R0.6 CCOCCC#N AMY40959 [0,1,1,0,0,0|1,0,1]=4 629 B6R0.6 CCOCCCN AMY21920 [0,1,1,0,0,0|1,0,0]=3 630 B6R0.6 CCOCCCO AM20080058 [0,1,1,0,0,0|0,1,0]=3 631 B6R0.6 CCOCOCC AMY25683 [0,1,1,0,0,0|2,0,0]=4 632 B6R0.6 COCCCCBr AMY9376 [0,1,1,0,0,0|1,0,0]=3 633 B6R0.6 COCCCCO AM20080057 [0,1,1,0,0,0|0,1,0]=3 634 B6R0.6 C\C=C\CCCO AMY2616 [0,1,1,0,0,0|0,1,1]=4 635 B6R0.6 ClCCNCCCl AM20100797 [0,1,1,0,0,0|2,0,0]=4 636 B6R0.6 ClCCOCCCl AMY9389 [0,1,1,0,0,0|2,0,0]=4 637 B6R0.6 FCCCCCBr AM20100088 [0,1,1,0,0,0|1,0,0]=3 638 B6R0.6 N#CCCCCCl AM20100537 [0,1,1,0,0,0|1,0,1]=4 639 B6R0.6 NCCCCCN AM61576 [0,1,1,0,0,0|1,0,0]=3 640 B6R0.6 NCCNCCCl AMY10888 [0,1,1,0,0,0|2,0,0]=4 641 B6R0.6 NCCOCCN AMY7556 [0,1,1,0,0,0|2,0,0]=4 642 B6R0.6 NCCOCCO AMY18064 [0,1,1,0,0,0|1,1,0]=4 643 B6R0.6 O=CCCCCCl AMY772 [0,1,1,0,0,0|0,1,1]=4 644 B6R0.6 OCCCCCBr AM20090543 [0,1,1,0,0,0|0,1,0]=3 645 B6R0.6 OCCOCCBr AMY4498 [0,1,1,0,0,0|1,1,0]=4 646 B6R0.6 OCCOCCCl AMY9387 [0,1,1,0,0,0|1,1,0]=4 647 B6R0.8 CC[C@](C)(N)CN AMY40943 [0,1,1,0,0,0|2,0,0]=4 648 B6R0.8 CC[C@](C)(O)CN AMY24170 [0,1,1,0,0,0|1,1,0]=4 649 B6R0.9 C=C[C@@H](CC)CO AMY36984 [0,1,1,0,0,0|2,0,0]=4 650 B6R0.9 CCC(CC)NN AM10003 [0,1,1,0,0,0|1,0,0]=3 651 B6R0.9 CCC(CC)NN AM10008 [0,1,1,0,0,0|1,0,0]=3 652 B6R0.9 CCC(CO)CO AM10034 [0,1,1,0,0,0|1,1,0]=4 653 B6R0.9 CCN(CC)CC AMY14826 [0,1,1,0,0,0|2,0,0]=4 654 B6R0.9 CCP(CC)CC AMY11700 [0,1,1,0,0,0|2,0,0]=4 655 B6R0.9 CC[BH-](CC)CC AMY14847 [0,1,1,0,0,0|2,0,0]=4 656 B6R0.9 CC[O+](CC)CC AMY13411 [0,1,1,0,0,0|2,0,0]=4 657 B6R1.5 C=C1CC(N)C1 AM84287 [0,1,0,0,1,0|1,0,1]=4 658 B6R1.5 C=C1CC(N)C1 AM84288 [0,1,0,0,1,0|1,0,1]=4 659 B6R1.5 CC1CC(=O)C1 AM806996 [0,1,0,0,1,0|0,1,1]=4 660 B6R1.5 CN1CC(N)C1 AMY4272 [0,1,0,0,1,0|2,0,0]=4 661 B6R1.5 CN1CC(O)C1 AM802928 [0,1,0,0,1,0|1,1,0]=4 662 B6R1.5 CN1CC(O)C1 AMY9067 [0,1,0,0,1,0|1,1,0]=4 663 B6R1.5 NC1CC(=O)C1 AM20070559 [0,1,0,0,1,0|0,1,1]=4 664 B6R1.5 NC1CC(F)C1 AMY6159 [0,1,0,0,1,0|1,0,0]=3 665 B6R1.5 NC1CC(N)C1 AM85963 [0,1,0,0,1,0|1,0,0]=3 666 B6R1.5 NC1CC(O)C1 AM20070560 [0,1,0,0,1,0|0,1,0]=3 667 B6R1.5 NC1CC(O)C1 AM20070615 [0,1,0,0,1,0|0,1,0]=3 668 B6R1.5 N[C@H]1C[C@@H](F)C1 AMY34065 [0,1,0,0,1,0|1,0,0]=3 669 B6R1.5 N[C@H]1C[C@@H](N)C1 AMY34052 [0,1,0,0,1,0|1,0,0]=3 670 B6R1.5 N[C@H]1C[C@@H](O)C1 AM807002 [0,1,0,0,1,0|0,1,0]=3 671 B6R1.5 N[C@H]1C[C@H](F)C1 AMY34300 [0,1,0,0,1,0|1,0,0]=3 672 B6R1.5 N[C@H]1C[C@H](O)C1 AM807001 [0,1,0,0,1,0|0,1,0]=3 673 B6R1.5 N[C@H]1C[C@H](O)C1 AMY11818 [0,1,0,0,1,0|0,1,0]=3 674 B6R1.5 O=C1CC(O)C1 AMY33736 [0,1,0,0,1,0|0,1,1]=4 675 B6R1.5 OC1CC(F)C1 AMY33730 [0,1,0,0,1,0|0,1,0]=3 676 B6R1.5 O[C@H]1C[C@H](F)C1 AMY34301 [0,1,0,0,1,0|0,1,0]=3 677 B6R1.6 BrCC1CCC1 AM20070598 [0,1,0,0,1,0|1,0,0]=3 678 B6R1.6 BrCC1COC1 AM807116 [0,1,0,0,1,0|2,0,0]=4 679 B6R1.6 BrC[C@H]1CCO1 AM20020056 [0,1,0,0,1,0|2,0,0]=4 680 B6R1.6 CNC1CNC1 AM20090279 [0,1,0,0,1,0|2,0,0]=4 681 B6R1.6 CNC1CNC1 AMY34231 [0,1,0,0,1,0|2,0,0]=4 682 B6R1.6 CNC1COC1 AM20020057 [0,1,0,0,1,0|2,0,0]=4 683 B6R1.6 CNC1COC1 AMY5742 [0,1,0,0,1,0|2,0,0]=4 684 B6R1.6 COC1CNC1 AM20080370 [0,1,0,0,1,0|1,1,0]=4 685 B6R1.6 COC1CNC1 AMY33741 [0,1,0,0,1,0|1,1,0]=4 686 B6R1.6 CSC1CNC1 AM20080315 [0,1,0,0,1,0|1,0,0]=3 687 B6R1.6 ClCC1CCC1 AMY31015 [0,1,0,0,1,0|1,0,0]=3 688 B6R1.6 ClCC1COC1 AM807016 [0,1,0,0,1,0|2,0,0]=4 689 B6R1.6 ClC[C@H]1CCO1 AM807017 [0,1,0,0,1,0|2,0,0]=4 690 B6R1.6 ICC1CCC1 AMY34464 [0,1,0,0,1,0|1,0,0]=3 691 B6R1.6 ICC1COC1 AM807382 [0,1,0,0,1,0|2,0,0]=4 692 B6R1.6 IC[C@H]1CCO1 AM20020012 [0,1,0,0,1,0|2,0,0]=4 693 B6R1.6 N#CC1CCC1 AM20070614 [0,1,0,0,1,0|1,0,0]=3 694 B6R1.6 N#CC1CNC1 AM20090541 [0,1,0,0,1,0|2,0,0]=4 695 B6R1.6 N#C[C@H]1CCN1 AMY35836 [0,1,0,0,1,0|2,0,0]=4 696 B6R1.6 NCC1CCC1 AM20070613 [0,1,0,0,1,0|1,0,0]=3 697 B6R1.6 NCC1COC1 AM20020041 [0,1,0,0,1,0|2,0,0]=4 698 B6R1.6 NC[C@H]1CCN1 AM20070687 [0,1,0,0,1,0|2,0,0]=4 699 B6R1.6 NC[C@H]1CCO1 AM20020052 [0,1,0,0,1,0|2,0,0]=4 700 B6R1.6 NNC1CCC1 AM9769 [0,1,0,0,1,0|1,0,0]=3 701 B6R1.6 NNC1CCC1 AM9783 [0,1,0,0,1,0|1,0,0]=3 702 B6R1.6 NNC1COC1 AM9958 [0,1,0,0,1,0|2,0,0]=4 703 B6R1.6 O=CC1CCC1 AM90197 [0,1,0,0,1,0|0,1,0]=3 704 B6R1.6 O=CC1COC1 AMY38489 [0,1,0,0,1,0|1,1,0]=4 705 B6R1.6 OCC1CCC1 AM90211 [0,1,0,0,1,0|0,1,0]=3 706 B6R1.6 OCC1CNC1 AM20120333 [0,1,0,0,1,0|1,1,0]=4 707 B6R1.6 OCC1CNC1 AMY6173 [0,1,0,0,1,0|1,1,0]=4 708 B6R1.6 OCC1COC1 AM806983 [0,1,0,0,1,0|1,1,0]=4 709 B6R1.6 OC[C@H]1CCO1 AM807004 [0,1,0,0,1,0|1,1,0]=4 710 B6R1.10 CC1(C)CNC1 AMY14184 [0,1,0,0,1,0|2,0,0]=4 711 B6R1.10 CC1(C)COC1 AM20020043 [0,1,0,0,1,0|2,0,0]=4 712 B6R1.10 CC1(N)CCC1 AM808140 [0,1,0,0,1,0|1,0,0]=3 713 B6R1.10 CC1(N)CCC1 AMY1785 [0,1,0,0,1,0|1,0,0]=3 714 B6R1.10 CC1(N)COC1 AM20020051 [0,1,0,0,1,0|2,0,0]=4 715 B6R1.10 CC1(O)CNC1 AM81138 [0,1,0,0,1,0|1,1,0]=4 716 B6R1.10 CC1(O)COC1 AMY33735 [0,1,0,0,1,0|1,1,0]=4 717 B6R1.10 FC1(F)CNC1 AM20090379 [0,1,0,0,1,0|2,0,0]=4 718 B6R1.10 FC1(F)COC1 AMY15567 [0,1,0,0,1,0|2,0,0]=4 719 B6R1.10 O=S1(=O)CCC1 AM20100397 [0,1,0,0,1,0|1,1,0]=4 720 B8R1.2 BrCC1CCCCC1 AM83288 [0,1,0,0,0,1|1,0,0]=3 721 B8R1.2 BrCC1CCNCC1 AM101156 [0,1,0,0,0,1|1,0,0]=3 722 B8R1.2 BrCC1CCNCC1 AM90776 [0,1,0,0,0,1|1,0,0]=3 723 B8R1.2 BrCC1CCNCC1 AMY20339 [0,1,0,0,0,1|1,0,0]=3 724 B8R1.2 BrCC1CCOCC1 AM20080196 [0,1,0,0,0,1|1,0,0]=3 725 B8R1.2 BrC[C@H]1CCCCN1 AM100687 [0,1,0,0,0,1|1,0,0]=3 726 B8R1.2 BrC[C@H]1CCCCN1 AM100794 [0,1,0,0,0,1|1,0,0]=3 727 B8R1.2 BrC[C@H]1CCCNC1 AM90414 [0,1,0,0,0,1|1,0,0]=3 728 B8R1.2 BrC[C@H]1CCCNC1 AM94088 [0,1,0,0,0,1|1,0,0]=3 729 B8R1.2 BrC[C@H]1CCCOC1 AM20080110 [0,1,0,0,0,1|1,0,0]=3 730 B8R1.2 BrC[C@H]1CNCCN1 AM81377 [0,1,0,0,0,1|2,0,0]=4 731 B8R1.2 C#CC1CCCCC1 AMY1266 [0,1,0,0,0,1|1,0,0]=3 732 B8R1.2 C#CC1CCNCC1 AMY33844 [0,1,0,0,0,1|1,0,0]=3 733 B8R1.2 C#CC1CCOCC1 AM20080147 [0,1,0,0,0,1|1,0,0]=3 734 B8R1.2 C#C[C@H]1CCCNC1 AMY4285 [0,1,0,0,0,1|1,0,0]=3 735 B8R1.2 CC=C1CCOCC1 AMY6099 [0,1,0,0,0,1|1,0,1]=4 736 B8R1.2 CCC1CCNCC1 AM803694 [0,1,0,0,0,1|1,0,0]=3 737 B8R1.2 CCN1CCCCC1 AMY23165 [0,1,0,0,0,1|2,0,0]=4 738 B8R1.2 CCN1CCNCC1 AM81362 [0,1,0,0,0,1|2,0,0]=4 739 B8R1.2 CC[C@@H]1CNCCO1 AMY21361 [0,1,0,0,0,1|2,0,0]=4 740 B8R1.2 CC[C@@H]1COCCN1 AMY21373 [0,1,0,0,0,1|2,0,0]=4 741 B8R1.2 CC[C@@H]1COCCN1 AMY21630 [0,1,0,0,0,1|2,0,0]=4 742 B8R1.2 CC[C@H]1CNCCN1 AM81358 [0,1,0,0,0,1|2,0,0]=4 743 B8R1.2 CC[C@H]1CNCCO1 AMY21360 [0,1,0,0,0,1|2,0,0]=4 744 B8R1.2 CC[C@H]1CNCCO1 AMY21606 [0,1,0,0,0,1|2,0,0]=4 745 B8R1.2 CC[C@H]1COCCN1 AMY21416 [0,1,0,0,0,1|2,0,0]=4 746 B8R1.2 CC[C@H]1COCCN1 AMY21733 [0,1,0,0,0,1|2,0,0]=4 747 B8R1.2 CNC1CCCCC1 AM802809 [0,1,0,0,0,1|1,0,0]=3 748 B8R1.2 CNC1CCNCC1 AM20100166 [0,1,0,0,0,1|1,0,0]=3 749 B8R1.2 CNC1CCNCC1 AM98000 [0,1,0,0,0,1|1,0,0]=3 750 B8R1.2 CNC1CCNCC1 AMY3391 [0,1,0,0,0,1|1,0,0]=3 751 B8R1.2 CNC1CCOCC1 AM20090215 [0,1,0,0,0,1|1,0,0]=3 752 B8R1.2 CN[C@H]1CCCNC1 AM100275 [0,1,0,0,0,1|1,0,0]=3 753 B8R1.2 CN[C@H]1CCCNC1 AM10560 [0,1,0,0,0,1|1,0,0]=3 754 B8R1.2 CN[C@H]1CCCNC1 AMY18447 [0,1,0,0,0,1|1,0,0]=3 755 B8R1.2 COC1CCNCC1 AM20100080 [0,1,0,0,0,1|0,1,0]=3 756 B8R1.2 COC1CCNCC1 AM9912 [0,1,0,0,0,1|0,1,0]=3 757 B8R1.2 CO[C@H]1CCCNC1 AM101090 [0,1,0,0,0,1|0,1,0]=3 758 B8R1.2 CO[C@H]1CCCNC1 AM101144 [0,1,0,0,0,1|0,1,0]=3 759 B8R1.2 CO[C@H]1CCCNC1 AM101293 [0,1,0,0,0,1|0,1,0]=3 760 B8R1.2 CO[C@H]1CCCNC1 AM10535 [0,1,0,0,0,1|0,1,0]=3 761 B8R1.2 CO[C@H]1CCCNC1 AM20100081 [0,1,0,0,0,1|0,1,0]=3 762 B8R1.2 CSC1=NCCCN1 AMY7072 [0,1,0,0,0,1|1,0,1]=4 763 B8R1.2 CSC1CCNCC1 AM20090171 [0,1,0,0,0,1|0,0,0]=2 764 B8R1.2 ClCC1CCNCC1 AM100418 [0,1,0,0,0,1|1,0,0]=3 765 B8R1.2 ClCC1CCNCC1 AM100986 [0,1,0,0,0,1|1,0,0]=3 766 B8R1.2 ClCC1OCCCO1 AM81012 [0,1,0,0,0,1|2,0,0]=4 767 B8R1.2 ClCN1CCOCC1 AM85613 [0,1,0,0,0,1|2,0,0]=4 768 B8R1.2 ClC[C@@H]1CNCCO1 AM807060 [0,1,0,0,0,1|2,0,0]=4 769 B8R1.2 ClC[C@H]1CCCCN1 AM100578 [0,1,0,0,0,1|1,0,0]=3 770 B8R1.2 ClC[C@H]1CCCCN1 AM100956 [0,1,0,0,0,1|1,0,0]=3 771 B8R1.2 ClC[C@H]1CCCNC1 AM100526 [0,1,0,0,0,1|1,0,0]=3 772 B8R1.2 ClC[C@H]1CCCNC1 AM100760 [0,1,0,0,0,1|1,0,0]=3 773 B8R1.2 ClC[C@H]1CNCCO1 AM807061 [0,1,0,0,0,1|2,0,0]=4 774 B8R1.2 ICC1CCNCC1 AM100873 [0,1,0,0,0,1|1,0,0]=3 775 B8R1.2 ICC1CCNCC1 AM94101 [0,1,0,0,0,1|1,0,0]=3 776 B8R1.2 ICC1CCOCC1 AM20070671 [0,1,0,0,0,1|1,0,0]=3 777 B8R1.2 IC[C@H]1CCCCN1 AM94351 [0,1,0,0,0,1|1,0,0]=3 778 B8R1.2 IC[C@H]1CCCNC1 AM91471 [0,1,0,0,0,1|1,0,0]=3 779 B8R1.2 IC[C@H]1CCCNC1 AM94672 [0,1,0,0,0,1|1,0,0]=3 780 B8R1.2 N#CC1=CCCCC1 AMY16356 [0,1,0,0,0,1|1,0,1]=4 781 B8R1.2 N#CC1CCCCC1 AM20070512 [0,1,0,0,0,1|1,0,0]=3 782 B8R1.2 N#CC1CCNCC1 AM81180 [0,1,0,0,0,1|1,0,0]=3 783 B8R1.2 N#CC1CCNCC1 AMY4410 [0,1,0,0,0,1|1,0,0]=3 784 B8R1.2 N#CC1CCOCC1 AM20100133 [0,1,0,0,0,1|1,0,0]=3 785 B8R1.2 N#CC1CCSCC1 AMY10287 [0,1,0,0,0,1|1,0,0]=3 786 B8R1.2 N#CN1CCOCC1 AMY39268 [0,1,0,0,0,1|2,0,0]=4 787 B8R1.2 N#C[C@@H]1CCCNC1 AMY34413 [0,1,0,0,0,1|1,0,0]=3 788 B8R1.2 N#C[C@@H]1CNCCN1 AM803423 [0,1,0,0,0,1|2,0,0]=4 789 B8R1.2 N#C[C@H]1CCCNC1 AM804318 [0,1,0,0,0,1|1,0,0]=3 790 B8R1.2 NCC1CCCCC1 AM803690 [0,1,0,0,0,1|1,0,0]=3 791 B8R1.2 NCC1CCNCC1 AMY3390 [0,1,0,0,0,1|1,0,0]=3 792 B8R1.2 NCC1CCOCC1 AM20080212 [0,1,0,0,0,1|1,0,0]=3 793 B8R1.2 NCC1CCOCC1 AM803826 [0,1,0,0,0,1|1,0,0]=3 794 B8R1.2 NCC1CCSCC1 AMY35633 [0,1,0,0,0,1|1,0,0]=3 795 B8R1.2 NC[C@H]1CCCCN1 AMY3381 [0,1,0,0,0,1|1,0,0]=3 796 B8R1.2 NC[C@H]1CCCCO1 AMY20116 [0,1,0,0,0,1|1,0,0]=3 797 B8R1.2 NC[C@H]1CCCNC1 AMY11508 [0,1,0,0,0,1|1,0,0]=3 798 B8R1.2 NC[C@H]1CCCOC1 AMY36453 [0,1,0,0,0,1|1,0,0]=3 799 B8R1.2 NC[C@H]1CNCCO1 AM20080111 [0,1,0,0,0,1|2,0,0]=4 800 B8R1.2 NC[C@H]1COCCO1 AM20120267 [0,1,0,0,0,1|2,0,0]=4 801 B8R1.2 NNC1CCCCC1 AM803671 [0,1,0,0,0,1|1,0,0]=3 802 B8R1.2 NNC1CCCCC1 AM9784 [0,1,0,0,0,1|1,0,0]=3 803 B8R1.2 NNC1CCCCC1 AMY18126 [0,1,0,0,0,1|1,0,0]=3 804 B8R1.2 NNC1CCNCC1 AM9811 [0,1,0,0,0,1|1,0,0]=3 805 B8R1.2 NNC1CCOCC1 AM803017 [0,1,0,0,0,1|1,0,0]=3 806 B8R1.2 NN[C@H]1CCCNC1 AM9839 [0,1,0,0,0,1|1,0,0]=3 807 B8R1.2 NOC1CCCCC1 AMY27644 [0,1,0,0,0,1|0,1,0]=3 808 B8R1.2 NO[C@@H]1CCCCO1 AM20100619 [0,1,0,0,0,1|0,1,0]=3 809 B8R1.2 O=CC1=CCCCC1 AMY18835 [0,1,0,0,0,1|0,1,1]=4 810 B8R1.2 O=CC1CCCCC1 AM83285 [0,1,0,0,0,1|0,1,0]=3 811 B8R1.2 O=CC1CCNCC1 AM100891 [0,1,0,0,0,1|0,1,0]=3 812 B8R1.2 O=CC1CCNCC1 AM90778 [0,1,0,0,0,1|0,1,0]=3 813 B8R1.2 O=CC1CCNCC1 AM98195 [0,1,0,0,0,1|0,1,0]=3 814 B8R1.2 O=CC1CCOCC1 AM1035 [0,1,0,0,0,1|0,1,0]=3 815 B8R1.2 O=CN1CCCCC1 AMY3400 [0,1,0,0,0,1|1,1,0]=4 816 B8R1.2 O=CN1CCNCC1 AM81361 [0,1,0,0,0,1|1,1,0]=4 817 B8R1.2 O=CN1CCOCC1 AMY23275 [0,1,0,0,0,1|1,1,0]=4 818 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [0,1,0,0,0,1|0,1,0]=3 819 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [0,1,0,0,0,1|0,1,0]=3 820 B8R1.2 O=C[C@@H]1CNCCN1 AM81379 [0,1,0,0,0,1|1,1,0]=4 821 B8R1.2 O=C[C@H]1CCCNC1 AM100710 [0,1,0,0,0,1|0,1,0]=3 822 B8R1.2 O=C[C@H]1CCCNC1 AM91227 [0,1,0,0,0,1|0,1,0]=3 823 B8R1.2 O=C[C@H]1CCCOC1 AM20100767 [0,1,0,0,0,1|0,1,0]=3 824 B8R1.2 OCC1CCCCC1 AM20070443 [0,1,0,0,0,1|0,1,0]=3 825 B8R1.2 OCC1CCNCC1 AM20100583 [0,1,0,0,0,1|0,1,0]=3 826 B8R1.2 OCC1CCOCC1 AM20080366 [0,1,0,0,0,1|0,1,0]=3 827 B8R1.2 OCC1CCSCC1 AMY3090 [0,1,0,0,0,1|0,1,0]=3 828 B8R1.2 OC[C@@H]1CNCCO1 AMY21380 [0,1,0,0,0,1|1,1,0]=4 829 B8R1.2 OC[C@@H]1CNCCO1 AMY21771 [0,1,0,0,0,1|1,1,0]=4 830 B8R1.2 OC[C@@H]1COCCN1 AMY1881 [0,1,0,0,0,1|1,1,0]=4 831 B8R1.2 OC[C@@H]1COCCN1 AMY2068 [0,1,0,0,0,1|1,1,0]=4 832 B8R1.2 OC[C@H]1CCCCN1 AM20090530 [0,1,0,0,0,1|0,1,0]=3 833 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [0,1,0,0,0,1|0,1,0]=3 834 B8R1.2 OC[C@H]1CCCNC1 AM100839 [0,1,0,0,0,1|0,1,0]=3 835 B8R1.2 OC[C@H]1CCCOC1 AM20080365 [0,1,0,0,0,1|0,1,0]=3 836 B8R1.2 OC[C@H]1CNCCN1 AM81378 [0,1,0,0,0,1|1,1,0]=4 837 B8R1.2 OC[C@H]1CNCCN1 AMY14670 [0,1,0,0,0,1|1,1,0]=4 838 B8R1.2 OC[C@H]1CNCCO1 AM20080410 [0,1,0,0,0,1|1,1,0]=4 839 B8R1.2 OC[C@H]1CNCCO1 AM802856 [0,1,0,0,0,1|1,1,0]=4 840 B8R1.2 OC[C@H]1CNCCO1 AMY21776 [0,1,0,0,0,1|1,1,0]=4 841 B8R1.2 OC[C@H]1CNCCO1 AMY25031 [0,1,0,0,0,1|1,1,0]=4 842 B8R1.2 OC[C@H]1COCCN1 AM20080017 [0,1,0,0,0,1|1,1,0]=4 843 B8R1.2 OC[C@H]1COCCN1 AMY1905 [0,1,0,0,0,1|1,1,0]=4 844 B8R1.2 OC[C@H]1COCCN1 AMY22661 [0,1,0,0,0,1|1,1,0]=4 845 B8R1.2 OC[C@H]1COCCN1 AMY25047 [0,1,0,0,0,1|1,1,0]=4 846 B8R1.2 OC[C@H]1COCCO1 AMY6751 [0,1,0,0,0,1|1,1,0]=4 847 B8R1.2 ON=C1CCOCC1 AMY19185 [0,1,0,0,0,1|0,1,1]=4 848 B8R1.2 ON=C1CCSCC1 AMY10286 [0,1,0,0,0,1|0,1,1]=4 849 B8R1.3 Br[C@H]1CC[C@H](Br)CC1 AMY6604 [0,1,0,0,0,1|1,0,0]=3 850 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,1,0,0,0,1|1,0,0]=3 851 B8R1.3 CC1CCC(N)CC1 AM804167 [0,1,0,0,0,1|1,0,0]=3 852 B8R1.3 CC1CNC(C)CN1 AM81374 [0,1,0,0,0,1|2,0,0]=4 853 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,1,0,0,0,1|0,1,1]=4 854 B8R1.3 CN1CCC(Br)CC1 AMY41829 [0,1,0,0,0,1|1,0,0]=3 855 B8R1.3 CN1CCC(Cl)CC1 AMY40670 [0,1,0,0,0,1|1,0,0]=3 856 B8R1.3 CN1CCC(I)CC1 AM100725 [0,1,0,0,0,1|1,0,0]=3 857 B8R1.3 CN1CCC(N)CC1 AM20100109 [0,1,0,0,0,1|1,0,0]=3 858 B8R1.3 CN1CCC(O)CC1 AM802881 [0,1,0,0,0,1|0,1,0]=3 859 B8R1.3 CN1CCC(O)CC1 AMY37059 [0,1,0,0,0,1|0,1,0]=3 860 B8R1.3 CN1CCN(N)CC1 AM85350 [0,1,0,0,0,1|2,0,0]=4 861 B8R1.3 C[C@@H]1CC[C@@H](C)NC1 AM807027 [0,1,0,0,0,1|1,0,0]=3 862 B8R1.3 C[C@@H]1CC[C@H](O)CN1 AM806519 [0,1,0,0,0,1|0,1,0]=3 863 B8R1.3 C[C@@H]1CO[C@H](C)CN1 AMY21745 [0,1,0,0,0,1|2,0,0]=4 864 B8R1.3 C[C@H]1CC[C@@H](N)CC1 AMY202003228 [0,1,0,0,0,1|1,0,0]=3 865 B8R1.3 C[C@H]1CC[C@H](O)CC1 AM9714 [0,1,0,0,0,1|0,1,0]=3 866 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806517 [0,1,0,0,0,1|0,1,0]=3 867 B8R1.3 C[C@H]1CC[C@H](O)CN1 AM806520 [0,1,0,0,0,1|0,1,0]=3 868 B8R1.3 C[C@H]1CN[C@H](C)CN1 AM20090356 [0,1,0,0,0,1|2,0,0]=4 869 B8R1.3 C[C@H]1CN[C@H](C)CO1 AMY202003216 [0,1,0,0,0,1|2,0,0]=4 870 B8R1.3 C[C@H]1CO[C@H](C)CN1 AMY202003196 [0,1,0,0,0,1|2,0,0]=4 871 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,1,0,0,0,1|1,0,0]=3 872 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,1,0,0,0,1|1,0,0]=3 873 B8R1.3 NC1CCC(Br)CC1 AM101779 [0,1,0,0,0,1|1,0,0]=3 874 B8R1.3 NC1CCC(Cl)CC1 AM100935 [0,1,0,0,0,1|1,0,0]=3 875 B8R1.3 NC1CCC(I)CC1 AM93472 [0,1,0,0,0,1|1,0,0]=3 876 B8R1.3 NC1CCC(N)CC1 AM100652 [0,1,0,0,0,1|1,0,0]=3 877 B8R1.3 NC1CCC(O)CC1 AMY6164 [0,1,0,0,0,1|0,1,0]=3 878 B8R1.3 NN1CCC(O)CC1 AMY16127 [0,1,0,0,0,1|0,1,0]=3 879 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,1,0,0,0,1|0,1,1]=4 880 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,1,0,0,0,1|0,1,1]=4 881 B8R1.3 N[C@H]1CC[C@@H](N)CC1 AMY37608 [0,1,0,0,0,1|1,0,0]=3 882 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AM62718 [0,1,0,0,0,1|0,1,0]=3 883 B8R1.3 N[C@H]1CC[C@@H](O)CC1 AMY35196 [0,1,0,0,0,1|0,1,0]=3 884 B8R1.3 N[C@H]1CC[C@H](N)CC1 AM20070543 [0,1,0,0,0,1|1,0,0]=3 885 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070547 [0,1,0,0,0,1|0,1,0]=3 886 B8R1.3 N[C@H]1CC[C@H](O)CC1 AM20070555 [0,1,0,0,0,1|0,1,0]=3 887 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,1,0,0,0,1|1,0,0]=3 888 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,1,0,0,0,1|0,1,0]=3 889 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,1,0,0,0,1|0,1,1]=4 890 B8R1.3 OC1COC(O)CO1 AM20090246 [0,1,0,0,0,1|1,1,0]=4 891 B8R1.3 OC1CSC(O)CS1 AMY24076 [0,1,0,0,0,1|1,1,0]=4 892 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,1,0,0,0,1|1,0,1]=4 893 B8R1.4 CC1CC(Br)CCO1 AMY6009 [0,1,0,0,0,1|1,0,0]=3 894 B8R1.4 CC1CC(Cl)CCO1 AMY6010 [0,1,0,0,0,1|1,0,0]=3 895 B8R1.4 CC1CC(N)CCN1 AMY19269 [0,1,0,0,0,1|1,0,0]=3 896 B8R1.4 CC1CC(N)CCO1 AMY5951 [0,1,0,0,0,1|1,0,0]=3 897 B8R1.4 CC1CC(N)CCO1 AMY5952 [0,1,0,0,0,1|1,0,0]=3 898 B8R1.4 CC1CC(O)CCO1 AMY6006 [0,1,0,0,0,1|0,1,0]=3 899 B8R1.4 CC1CCCC(N)C1 AM20070507 [0,1,0,0,0,1|1,0,0]=3 900 B8R1.4 CC1CNCC(C)C1 AMY3386 [0,1,0,0,0,1|1,0,0]=3 901 B8R1.4 CC1CNCC(C)N1 AM81382 [0,1,0,0,0,1|2,0,0]=4 902 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,1,0,0,0,1|0,1,1]=4 903 B8R1.4 CN1CCC[C@H](Br)C1 AM100732 [0,1,0,0,0,1|1,0,0]=3 904 B8R1.4 CN1CCC[C@H](Br)C1 AM96149 [0,1,0,0,0,1|1,0,0]=3 905 B8R1.4 CN1CCC[C@H](Br)C1 AM96336 [0,1,0,0,0,1|1,0,0]=3 906 B8R1.4 CN1CCC[C@H](Cl)C1 AM100541 [0,1,0,0,0,1|1,0,0]=3 907 B8R1.4 CN1CCC[C@H](Cl)C1 AM95149 [0,1,0,0,0,1|1,0,0]=3 908 B8R1.4 CN1CCC[C@H](Cl)C1 AM96246 [0,1,0,0,0,1|1,0,0]=3 909 B8R1.4 CN1CCC[C@H](I)C1 AM92117 [0,1,0,0,0,1|1,0,0]=3 910 B8R1.4 CN1CCC[C@H](I)C1 AM96657 [0,1,0,0,0,1|1,0,0]=3 911 B8R1.4 CN1CCC[C@H](I)C1 AM96719 [0,1,0,0,0,1|1,0,0]=3 912 B8R1.4 CN1CCC[C@H](N)C1 AM100811 [0,1,0,0,0,1|1,0,0]=3 913 B8R1.4 CN1CCC[C@H](N)C1 AM101540 [0,1,0,0,0,1|1,0,0]=3 914 B8R1.4 CN1CCC[C@H](N)C1 AM20070636 [0,1,0,0,0,1|1,0,0]=3 915 B8R1.4 CN1CCC[C@H](N)C1 AM20120292 [0,1,0,0,0,1|1,0,0]=3 916 B8R1.4 CN1CCC[C@H](O)C1 AM100623 [0,1,0,0,0,1|0,1,0]=3 917 B8R1.4 CN1CCC[C@H](O)C1 AM101042 [0,1,0,0,0,1|0,1,0]=3 918 B8R1.4 C[C@@H]1CN(C)CCN1 AMY38520 [0,1,0,0,0,1|2,0,0]=4 919 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AMY21610 [0,1,0,0,0,1|2,0,0]=4 920 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AMY21742 [0,1,0,0,0,1|2,0,0]=4 921 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 AMY19631 [0,1,0,0,0,1|2,0,0]=4 922 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AMY202003236 [0,1,0,0,0,1|2,0,0]=4 923 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,1,0,0,0,1|0,1,1]=4 924 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,1,0,0,0,1|0,1,1]=4 925 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,1,0,0,0,1|0,1,1]=4 926 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,1,0,0,0,1|0,1,1]=4 927 B8R1.4 C[C@H]1CN(C)CCN1 AM100533 [0,1,0,0,0,1|2,0,0]=4 928 B8R1.4 C[C@H]1CN(C)CCN1 AMY24173 [0,1,0,0,0,1|2,0,0]=4 929 B8R1.4 C[C@H]1CN(C)CCN1 AMY5825 [0,1,0,0,0,1|2,0,0]=4 930 B8R1.4 C[C@H]1CNC[C@@H](C)N1 AM81381 [0,1,0,0,0,1|2,0,0]=4 931 B8R1.4 C[C@H]1CNC[C@@H](C)O1 AM20100586 [0,1,0,0,0,1|2,0,0]=4 932 B8R1.4 C[C@H]1CNC[C@H](C)N1 AMY21737 [0,1,0,0,0,1|2,0,0]=4 933 B8R1.4 C[C@H]1CNC[C@H](C)O1 AMY202003227 [0,1,0,0,0,1|2,0,0]=4 934 B8R1.4 C[C@H]1COC[C@H](C)N1 AM10860 [0,1,0,0,0,1|2,0,0]=4 935 B8R1.4 ClC1CNCC(Cl)N1 AM81375 [0,1,0,0,0,1|2,0,0]=4 936 B8R1.4 NC1CCCC(O)C1 AM20070553 [0,1,0,0,0,1|0,1,0]=3 937 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AMY35651 [0,1,0,0,0,1|0,1,0]=3 938 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90249 [0,1,0,0,0,1|0,1,0]=3 939 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AM90265 [0,1,0,0,0,1|0,1,0]=3 940 B8R1.4 N[C@H]1CCC[C@@H](N)C1 AM85391 [0,1,0,0,0,1|1,0,0]=3 941 B8R1.4 N[C@H]1CCC[C@@H](O)C1 AMY37601 [0,1,0,0,0,1|0,1,0]=3 942 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90267 [0,1,0,0,0,1|0,1,0]=3 943 B8R1.4 N[C@H]1CCC[C@H](O)C1 AM90268 [0,1,0,0,0,1|0,1,0]=3 944 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,1,0,0,0,1|0,1,1]=4 945 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,1,0,0,0,1|0,1,1]=4 946 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [0,1,0,0,0,1|0,1,1]=4 947 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,1,0,0,0,1|0,1,1]=4 948 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,1,0,0,0,1|0,1,1]=4 949 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,1,0,0,0,1|0,1,1]=4 950 B8R1.5 CC1CCCCC1N AM804248 [0,1,0,0,0,1|1,0,0]=3 951 B8R1.5 CC1CCCNC1C AM81284 [0,1,0,0,0,1|1,0,0]=3 952 B8R1.5 CC1CNCCC1O AM10443 [0,1,0,0,0,1|0,1,0]=3 953 B8R1.5 CC1CNCCC1O AM803717 [0,1,0,0,0,1|0,1,0]=3 954 B8R1.5 CC1COCCC1N AM91481 [0,1,0,0,0,1|1,0,0]=3 955 B8R1.5 CC1COCCC1O AM101521 [0,1,0,0,0,1|0,1,0]=3 956 B8R1.5 CC1COCCC1S AM99651 [0,1,0,0,0,1|0,0,0]=2 957 B8R1.5 C[C@@H]1CNCCN1C AMY32368 [0,1,0,0,0,1|2,0,0]=4 958 B8R1.5 C[C@@H]1CNCCN1C AMY34366 [0,1,0,0,0,1|2,0,0]=4 959 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,1,0,0,0,1|1,0,0]=3 960 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,1,0,0,0,1|0,1,1]=4 961 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,1,0,0,0,1|0,1,1]=4 962 B8R1.5 C[C@H]1CNCCN1C AMY34386 [0,1,0,0,0,1|2,0,0]=4 963 B8R1.5 C[C@H]1CNCCN1C AMY39146 [0,1,0,0,0,1|2,0,0]=4 964 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,1,0,0,0,1|0,1,1]=4 965 B8R1.5 NC1CCCCC1F AM806373 [0,1,0,0,0,1|1,0,0]=3 966 B8R1.5 NC1CCCCC1N AM20070551 [0,1,0,0,0,1|1,0,0]=3 967 B8R1.5 NC1CCCCC1O AMY1039 [0,1,0,0,0,1|0,1,0]=3 968 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62785 [0,1,0,0,0,1|0,1,0]=3 969 B8R1.5 N[C@@H]1CCCC[C@@H]1O AM62786 [0,1,0,0,0,1|0,1,0]=3 970 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [0,1,0,0,0,1|0,1,1]=4 971 B8R1.5 N[C@@H]1CCOC[C@@H]1F AMY35194 [0,1,0,0,0,1|1,0,0]=3 972 B8R1.5 N[C@@H]1CCOC[C@@H]1O AMY35197 [0,1,0,0,0,1|0,1,0]=3 973 B8R1.5 N[C@@H]1CCOC[C@H]1F AMY34428 [0,1,0,0,0,1|1,0,0]=3 974 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16937 [0,1,0,0,0,1|0,1,0]=3 975 B8R1.5 N[C@@H]1CCOC[C@H]1O AMY16938 [0,1,0,0,0,1|0,1,0]=3 976 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16933 [0,1,0,0,0,1|0,1,0]=3 977 B8R1.5 N[C@@H]1COCC[C@H]1O AMY16934 [0,1,0,0,0,1|0,1,0]=3 978 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,1,0,0,0,1|1,0,0]=3 979 B8R1.5 N[C@H]1CCCC[C@@H]1N AM20070468 [0,1,0,0,0,1|1,0,0]=3 980 B8R1.5 N[C@H]1CCCC[C@@H]1N AM20070469 [0,1,0,0,0,1|1,0,0]=3 981 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070541 [0,1,0,0,0,1|0,1,0]=3 982 B8R1.5 N[C@H]1CCCC[C@@H]1O AM20070542 [0,1,0,0,0,1|0,1,0]=3 983 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62775 [0,1,0,0,0,1|0,1,0]=3 984 B8R1.5 N[C@H]1CCCC[C@@H]1O AM62781 [0,1,0,0,0,1|0,1,0]=3 985 B8R1.5 N[C@H]1CCCC[C@H]1N AMY19985 [0,1,0,0,0,1|1,0,0]=3 986 B8R1.5 N[C@H]1CCCC[C@H]1O AMY18313 [0,1,0,0,0,1|0,1,0]=3 987 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [0,1,0,0,0,1|0,1,1]=4 988 B8R1.5 N[C@H]1CCCNC1=O AMY769 [0,1,0,0,0,1|0,1,1]=4 989 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16939 [0,1,0,0,0,1|0,1,0]=3 990 B8R1.5 N[C@H]1CCOC[C@@H]1O AMY16940 [0,1,0,0,0,1|0,1,0]=3 991 B8R1.5 N[C@H]1CCOC[C@H]1O AMY35749 [0,1,0,0,0,1|0,1,0]=3 992 B8R1.5 N[C@H]1COCC[C@@H]1O AMY16887 [0,1,0,0,0,1|0,1,0]=3 993 B8R1.5 N[C@H]1COCC[C@H]1O AMY35193 [0,1,0,0,0,1|0,1,0]=3 994 B8R1.5 O=C1CCCCC1=O AM20070526 [0,1,0,0,0,1|0,1,1]=4 995 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,1,0,0,0,1|1,0,0]=3 996 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,1,0,0,0,1|1,0,0]=3 997 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [0,1,0,0,0,1|0,1,1]=4 998 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [0,1,0,0,0,1|0,1,1]=4 999 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [0,1,0,0,0,1|0,1,1]=4 1000 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [0,1,0,0,0,1|0,1,1]=4 1001 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [0,1,0,0,0,1|0,1,1]=4 1002 B8R1.5 OC1CCNCC1O AMY19280 [0,1,0,0,0,1|0,1,0]=3 1003 B8R1.5 OC1CCOCC1F AMY34852 [0,1,0,0,0,1|0,1,0]=3 1004 B8R1.5 O[C@H]1CCCC[C@@H]1O AM9724 [0,1,0,0,0,1|0,1,0]=3 1005 B8R1.5 O[C@H]1CCNC[C@H]1F AMY14765 [0,1,0,0,0,1|0,1,0]=3 1006 B8R1.5 O[C@H]1CCOC[C@@H]1F AMY35862 [0,1,0,0,0,1|0,1,0]=3 1007 B8R1.5 O[C@H]1CNCC[C@H]1O AMY34059 [0,1,0,0,0,1|0,1,0]=3 1008 B8R1.72 CC1(C)CCCNC1 AMY42566 [0,1,0,0,0,1|1,0,0]=3 1009 B8R1.72 CC1(C)CCNCC1 AMY21772 [0,1,0,0,0,1|1,0,0]=3 1010 B8R1.72 CC1(C)CCNCC1 AMY41051 [0,1,0,0,0,1|1,0,0]=3 1011 B8R1.72 CC1(C)CNCCN1 AM20110209 [0,1,0,0,0,1|2,0,0]=4 1012 B8R1.72 CC1(C)CNCCO1 AM20080363 [0,1,0,0,0,1|2,0,0]=4 1013 B8R1.72 CC1(C)CNCCO1 AMY34686 [0,1,0,0,0,1|2,0,0]=4 1014 B8R1.72 CC1(C)COCCN1 AMY21767 [0,1,0,0,0,1|2,0,0]=4 1015 B8R1.72 CC1(N)CCCCC1 AM804197 [0,1,0,0,0,1|1,0,0]=3 1016 B8R1.72 CC1(N)CCOCC1 AMY23061 [0,1,0,0,0,1|1,0,0]=3 1017 B8R1.72 CC1(N)CCOCC1 AMY34985 [0,1,0,0,0,1|1,0,0]=3 1018 B8R1.72 CC1(O)CCCCC1 AMY25717 [0,1,0,0,0,1|0,1,0]=3 1019 B8R1.72 CC1(O)CCNCC1 AM100764 [0,1,0,0,0,1|0,1,0]=3 1020 B8R1.72 CC1(O)CCNCC1 AM804091 [0,1,0,0,0,1|0,1,0]=3 1021 B8R1.72 CC1(O)CCOCC1 AMY23045 [0,1,0,0,0,1|0,1,0]=3 1022 B8R1.72 C[C@]1(O)CCCNC1 AM20100188 [0,1,0,0,0,1|0,1,0]=3 1023 B8R1.72 C[Si]1(C)CCNCC1 AMY6687 [0,1,0,0,0,1|1,1,0]=4 1024 B8R1.72 C[Si]1(C)CCNCC1 AMY6694 [0,1,0,0,0,1|1,1,0]=4 1025 B8R1.72 FC1(F)CCCCC1 AMY5923 [0,1,0,0,0,1|1,0,0]=3 1026 B8R1.72 FC1(F)CCCNC1 AM20100211 [0,1,0,0,0,1|1,0,0]=3 1027 B8R1.72 FC1(F)CCNCC1 AM20080336 [0,1,0,0,0,1|1,0,0]=3 1028 B8R1.72 FC1(F)CCNCC1 AM20090207 [0,1,0,0,0,1|1,0,0]=3 1029 B8R1.72 O=S1(=O)CCCCN1 AM803804 [0,1,0,0,0,1|1,1,0]=4 1030 B8R1.72 O=S1(=O)CCNCC1 AM20100461 [0,1,0,0,0,1|1,1,0]=4 1031 B8R1.72 O=S1(=O)CCNCC1 AM84924 [0,1,0,0,0,1|1,1,0]=4 1032 B8R1.1 CC1CC(CO)CN1 AM806518 [0,2,0,0,0,0|1,1,0]=4 1033 B8R1.1 CCN1CC[C@H](O)C1 AMY31539 [0,2,0,0,0,0|1,1,0]=4 1034 B8R1.1 CN1CC[C@@H](CN)C1 AMY35716 [0,2,0,0,0,0|2,0,0]=4 1035 B8R1.1 CN1CC[C@@H](CO)C1 AMY4400 [0,2,0,0,0,0|1,1,0]=4 1036 B8R1.1 CN1CC[C@H](C=O)C1 AM92662 [0,2,0,0,0,0|1,1,0]=4 1037 B8R1.1 CN1CC[C@H](CBr)C1 AM91878 [0,2,0,0,0,0|2,0,0]=4 1038 B8R1.1 CN1CC[C@H](CCl)C1 AM100961 [0,2,0,0,0,0|2,0,0]=4 1039 B8R1.1 CN1CC[C@H](CCl)C1 AM100997 [0,2,0,0,0,0|2,0,0]=4 1040 B8R1.1 CN1CC[C@H](CI)C1 AM92498 [0,2,0,0,0,0|2,0,0]=4 1041 B8R1.1 CN1CC[C@H](CN)C1 AM20080210 [0,2,0,0,0,0|2,0,0]=4 1042 B8R1.1 CN1CC[C@H](CO)C1 AM803966 [0,2,0,0,0,0|1,1,0]=4 1043 B8R1.1 CN[C@H]1CCN(C)C1 AM101291 [0,2,0,0,0,0|2,0,0]=4 1044 B8R1.1 CN[C@H]1CCN(C)C1 AM101292 [0,2,0,0,0,0|2,0,0]=4 1045 B8R1.1 CN[C@H]1CCN(C)C1 AM10511 [0,2,0,0,0,0|2,0,0]=4 1046 B8R1.1 N#C[C@@H]1C[C@H](F)CN1 AMY202003266 [0,2,0,0,0,0|2,0,0]=4 1047 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 AMY202003270 [0,2,0,0,0,0|1,1,0]=4 1048 B8R1.1 OC[C@@H]1C[C@H](F)CN1 AMY13628 [0,2,0,0,0,0|1,1,0]=4 1049 B8R1.1 OC[C@@H]1C[C@H](F)CN1 AMY202003269 [0,2,0,0,0,0|1,1,0]=4 1050 B8R1.1 OC[C@H]1C[C@H](F)CN1 AMY202003253 [0,2,0,0,0,0|1,1,0]=4 1051 B8R1.7 CC(=O)C1CCCC1 AMY7477 [0,2,0,0,0,0|0,1,0]=3 1052 B8R1.7 CC(=O)[C@H]1CCOC1 AMY6005 [0,2,0,0,0,0|1,1,0]=4 1053 B8R1.7 CC(C)[C@H]1CCCN1 AMY34369 [0,2,0,0,0,0|2,0,0]=4 1054 B8R1.7 CC(O)C1CCNC1 AM806379 [0,2,0,0,0,0|1,1,0]=4 1055 B8R1.7 CC(O)C1CCNC1 AM806521 [0,2,0,0,0,0|1,1,0]=4 1056 B8R1.7 CN(C)[C@@H]1CCNC1 AMY19997 [0,2,0,0,0,0|2,0,0]=4 1057 B8R1.7 CN(C)[C@@H]1CCNC1 AMY39433 [0,2,0,0,0,0|2,0,0]=4 1058 B8R1.7 CN(C)[C@H]1CCNC1 AM803215 [0,2,0,0,0,0|2,0,0]=4 1059 B8R1.7 CN(C)[C@H]1CCNC1 AMY20012 [0,2,0,0,0,0|2,0,0]=4 1060 B8R1.7 CN(C)[C@H]1CCNC1 AMY39468 [0,2,0,0,0,0|2,0,0]=4 1061 B8R1.7 C[C@H](N)C1CCCC1 AM86034 [0,2,0,0,0,0|1,0,0]=3 1062 B8R1.7 FC(F)[C@H]1CCNC1 AMY34784 [0,2,0,0,0,0|2,0,0]=4 1063 B8R1.7 N=C(N)C1CCCC1 AM806532 [0,2,0,0,0,0|1,0,0]=3 1064 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20080102 [0,2,0,0,0,0|1,1,0]=4 1065 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100548 [0,2,0,0,0,0|1,1,0]=4 1066 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100732 [0,2,0,0,0,0|1,1,0]=4 1067 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82205 [0,2,0,0,0,0|1,1,0]=4 1068 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82206 [0,2,0,0,0,0|1,1,0]=4 1069 B8R1.7 NC(=O)[C@H]1CCNC1 AM20100187 [0,2,0,0,0,0|1,1,0]=4 1070 B8R1.7 NC(=O)[C@H]1CCNC1 AM81209 [0,2,0,0,0,0|1,1,0]=4 1071 B8R1.7 O=C(Cl)N1CCCC1 AMY737 [0,2,0,0,0,0|1,1,0]=4 1072 B8R1.7 O=C(Cl)[C@@H]1CCCO1 AMY8077 [0,2,0,0,0,0|1,1,0]=4 1073 B8R1.7 O=C(O)C1CCCC1 AM83283 [0,2,0,0,0,0|0,1,0]=3 1074 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20080359 [0,2,0,0,0,0|1,1,0]=4 1075 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20090537 [0,2,0,0,0,0|1,1,0]=4 1076 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20100482 [0,2,0,0,0,0|1,1,0]=4 1077 B8R1.7 O=C(O)[C@@H]1CCCN1 AMY28657 [0,2,0,0,0,0|1,1,0]=4 1078 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20090013 [0,2,0,0,0,0|1,1,0]=4 1079 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110255 [0,2,0,0,0,0|1,1,0]=4 1080 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110256 [0,2,0,0,0,0|1,1,0]=4 1081 B8R1.7 O=C(O)[C@@H]1CCCS1 AM803451 [0,2,0,0,0,0|1,1,0]=4 1082 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100448 [0,2,0,0,0,0|1,1,0]=4 1083 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100693 [0,2,0,0,0,0|1,1,0]=4 1084 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100694 [0,2,0,0,0,0|1,1,0]=4 1085 B8R1.7 O=C(O)[C@H]1CCNC1 AM20120375 [0,2,0,0,0,0|1,1,0]=4 1086 B8R1.7 O=C(O)[C@H]1CCOC1 AM20090011 [0,2,0,0,0,0|1,1,0]=4 1087 B8R1.7 O=C(O)[C@H]1CCOC1 AM20100615 [0,2,0,0,0,0|1,1,0]=4 1088 B8R1.7 O=C(O)[C@H]1CCOC1 AM20120290 [0,2,0,0,0,0|1,1,0]=4 1089 B8R1.7 OB(O)C1CCCC1 AM80875 [0,2,0,0,0,0|0,1,0]=3 1090 B8R1.8 BrCC[C@H]1CCNC1 AM100071 [0,2,0,0,0,0|2,0,0]=4 1091 B8R1.8 BrCC[C@H]1CCNC1 AM100210 [0,2,0,0,0,0|2,0,0]=4 1092 B8R1.8 BrCC[C@H]1CCNC1 AM99268 [0,2,0,0,0,0|2,0,0]=4 1093 B8R1.8 C#CCN1CCCC1 AMY20751 [0,2,0,0,0,0|2,0,0]=4 1094 B8R1.8 CCN[C@H]1CCNC1 AM100745 [0,2,0,0,0,0|2,0,0]=4 1095 B8R1.8 CCN[C@H]1CCNC1 AM100746 [0,2,0,0,0,0|2,0,0]=4 1096 B8R1.8 CCN[C@H]1CCNC1 AM90658 [0,2,0,0,0,0|2,0,0]=4 1097 B8R1.8 CCN[C@H]1CCOC1 AM91681 [0,2,0,0,0,0|2,0,0]=4 1098 B8R1.8 CCN[C@H]1CCOC1 AMY35389 [0,2,0,0,0,0|2,0,0]=4 1099 B8R1.8 CCO[C@@H]1CCNC1 AMY21337 [0,2,0,0,0,0|1,1,0]=4 1100 B8R1.8 CCO[C@H]1CCNC1 AMY21339 [0,2,0,0,0,0|1,1,0]=4 1101 B8R1.8 CNC[C@H]1CCCN1 AM91671 [0,2,0,0,0,0|2,0,0]=4 1102 B8R1.8 CNC[C@H]1CCNC1 AM101567 [0,2,0,0,0,0|2,0,0]=4 1103 B8R1.8 CNC[C@H]1CCOC1 AM20100680 [0,2,0,0,0,0|2,0,0]=4 1104 B8R1.8 COC[C@@H]1CCNC1 AMY34408 [0,2,0,0,0,0|1,1,0]=4 1105 B8R1.8 COC[C@H]1CCCN1 AM101258 [0,2,0,0,0,0|1,1,0]=4 1106 B8R1.8 COC[C@H]1CCCN1 AM20100559 [0,2,0,0,0,0|1,1,0]=4 1107 B8R1.8 COC[C@H]1CCCN1 AM81456 [0,2,0,0,0,0|1,1,0]=4 1108 B8R1.8 COC[C@H]1CCCN1 AM91166 [0,2,0,0,0,0|1,1,0]=4 1109 B8R1.8 COC[C@H]1CCNC1 AM100231 [0,2,0,0,0,0|1,1,0]=4 1110 B8R1.8 COC[C@H]1CCNC1 AM101657 [0,2,0,0,0,0|1,1,0]=4 1111 B8R1.8 ClCCN1CCCC1 AMY4094 [0,2,0,0,0,0|2,0,0]=4 1112 B8R1.8 ClCC[C@H]1CCNC1 AM100163 [0,2,0,0,0,0|2,0,0]=4 1113 B8R1.8 ClCC[C@H]1CCNC1 AM100184 [0,2,0,0,0,0|2,0,0]=4 1114 B8R1.8 ClCC[C@H]1CCNC1 AM101210 [0,2,0,0,0,0|2,0,0]=4 1115 B8R1.8 ICC[C@H]1CCNC1 AM100081 [0,2,0,0,0,0|2,0,0]=4 1116 B8R1.8 ICC[C@H]1CCNC1 AM100238 [0,2,0,0,0,0|2,0,0]=4 1117 B8R1.8 ICC[C@H]1CCNC1 AM98308 [0,2,0,0,0,0|2,0,0]=4 1118 B8R1.8 N#CCC1CCCC1 AMY2023 [0,2,0,0,0,0|1,0,0]=3 1119 B8R1.8 N#CCN1CCCC1 AM806630 [0,2,0,0,0,0|2,0,0]=4 1120 B8R1.8 N#CCN1CCCC1 AMY16274 [0,2,0,0,0,0|2,0,0]=4 1121 B8R1.8 NCCC1CCCC1 AM20100413 [0,2,0,0,0,0|1,0,0]=3 1122 B8R1.8 NCCC1CCCC1 AMY16086 [0,2,0,0,0,0|1,0,0]=3 1123 B8R1.8 NCCN1CCCC1 AMY9353 [0,2,0,0,0,0|2,0,0]=4 1124 B8R1.8 NCC[C@H]1CCCO1 AM20120396 [0,2,0,0,0,0|2,0,0]=4 1125 B8R1.8 NCC[C@H]1CCNC1 AM100091 [0,2,0,0,0,0|2,0,0]=4 1126 B8R1.8 NCC[C@H]1CCNC1 AM100125 [0,2,0,0,0,0|2,0,0]=4 1127 B8R1.8 NCC[C@H]1CCNC1 AM100664 [0,2,0,0,0,0|2,0,0]=4 1128 B8R1.8 NCC[C@H]1CCNC1 AM10830 [0,2,0,0,0,0|2,0,0]=4 1129 B8R1.8 O=CCC1CCCC1 AMY18693 [0,2,0,0,0,0|0,1,0]=3 1130 B8R1.8 OCCC1CCCC1 AMY18681 [0,2,0,0,0,0|0,1,0]=3 1131 B8R1.8 OCCN1CCCC1 AM20090391 [0,2,0,0,0,0|1,1,0]=4 1132 B8R1.8 OCC[C@H]1CCCN1 AMY23861 [0,2,0,0,0,0|1,1,0]=4 1133 B8R1.8 OCC[C@H]1CCNC1 AM100067 [0,2,0,0,0,0|1,1,0]=4 1134 B8R1.8 OCC[C@H]1CCNC1 AM100173 [0,2,0,0,0,0|1,1,0]=4 1135 B8R1.8 OCC[C@H]1CCNC1 AM20120341 [0,2,0,0,0,0|1,1,0]=4 1136 B8R1.8 SCCN1CCCC1 AM20100120 [0,2,0,0,0,0|1,0,0]=3 1137 B8R1.8 SCC[C@H]1CCNC1 AM100134 [0,2,0,0,0,0|1,0,0]=3 1138 B8R1.8 SCC[C@H]1CCNC1 AM100237 [0,2,0,0,0,0|1,0,0]=3 1139 B8R1.8 SCC[C@H]1CCNC1 AM99159 [0,2,0,0,0,0|1,0,0]=3 1140 B8R1.11 C#CC1CCCC1O AMY20186 [0,2,0,0,0,0|0,1,0]=3 1141 B8R1.11 CN1CCC[C@@H]1CBr AM101006 [0,2,0,0,0,0|2,0,0]=4 1142 B8R1.11 CN1CCC[C@@H]1CBr AM101207 [0,2,0,0,0,0|2,0,0]=4 1143 B8R1.11 CN1CCC[C@@H]1CCl AM100987 [0,2,0,0,0,0|2,0,0]=4 1144 B8R1.11 CN1CCC[C@@H]1CCl AM97531 [0,2,0,0,0,0|2,0,0]=4 1145 B8R1.11 CN1CCC[C@@H]1CI AM100992 [0,2,0,0,0,0|2,0,0]=4 1146 B8R1.11 CN1CCC[C@@H]1CI AM96163 [0,2,0,0,0,0|2,0,0]=4 1147 B8R1.11 CN1CCC[C@@H]1CN AM100590 [0,2,0,0,0,0|2,0,0]=4 1148 B8R1.11 CN1CCC[C@@H]1CN AM101111 [0,2,0,0,0,0|2,0,0]=4 1149 B8R1.11 CN1CCC[C@@H]1CO AM20090536 [0,2,0,0,0,0|1,1,0]=4 1150 B8R1.11 CN1CCC[C@@H]1CO AM808182 [0,2,0,0,0,0|1,1,0]=4 1151 B8R1.11 CN1CCC[C@H]1C=O AM101350 [0,2,0,0,0,0|1,1,0]=4 1152 B8R1.11 CN1CCC[C@H]1C=O AM92013 [0,2,0,0,0,0|1,1,0]=4 1153 B8R1.11 CO[C@H]1CNC[C@@H]1O AMY35656 [0,2,0,0,0,0|1,1,0]=4 1154 B8R1.11 N#C[C@H]1CCCC1=O AMY4320 [0,2,0,0,0,0|0,1,1]=4 1155 B8R1.11 NC[C@H]1COC[C@@H]1O AMY35772 [0,2,0,0,0,0|1,1,0]=4 1156 B8R1.52 CC[N+]1(C)CCCC1 AMY10921 [0,2,0,0,0,0|2,0,0]=4 1157 B8R1.52 C[C@@]1(C#N)CCCO1 AMY3382 [0,2,0,0,0,0|2,0,0]=4 1158 B8R1.52 C[C@@]1(CO)CCCN1 AMY34479 [0,2,0,0,0,0|1,1,0]=4 1159 B8R1.52 C[C@]1(C#N)CCNC1 AMY34880 [0,2,0,0,0,0|2,0,0]=4 1160 B8R1.52 C[C@]1(CN)CCCO1 AM20100681 [0,2,0,0,0,0|2,0,0]=4 1161 B8R1.52 C[C@]1(CN)CCOC1 AMY33684 [0,2,0,0,0,0|2,0,0]=4 1162 B8R1.52 C[C@]1(CO)CCCN1 AMY34476 [0,2,0,0,0,0|1,1,0]=4 1163 B8R1.52 N#CC1(N)CCCC1 AM20100218 [0,2,0,0,0,0|1,0,0]=3 1164 B8R1.52 NC1(CO)CCCC1 AMY38194 [0,2,0,0,0,0|0,1,0]=3 1165 B8R1.52 NCC1(F)CCCC1 AMY34317 [0,2,0,0,0,0|1,0,0]=3 1166 B8R1.52 NCC1(N)CCCC1 AMY40946 [0,2,0,0,0,0|1,0,0]=3 1167 B8R1.52 NCC1(O)CCCC1 AM20100163 [0,2,0,0,0,0|0,1,0]=3 1168 B8R1.52 OC[C@]1(O)CCNC1 AM97514 [0,2,0,0,0,0|1,1,0]=4 1169 B8R1.50 C[C@@H]1NC[C@H](O)[C@H]1O AMY19209 [0,2,0,0,0,0|1,1,0]=4 1170 B8R1.51 CC1(C)CCC(=O)C1 AMY38476 [0,2,0,0,0,0|0,1,1]=4 1171 B8R1.51 FC1(F)CC[C@H](Br)C1 AMY35822 [0,2,0,0,0,0|1,0,0]=3 1172 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 AMY37457 [0,2,0,0,0,0|1,1,0]=4 1173 B8R1.51 N[C@H]1CCC(F)(F)C1 AMY15563 [0,2,0,0,0,0|1,0,0]=3 1174 B8R1.51 N[C@H]1CCC(F)(F)C1 AMY32094 [0,2,0,0,0,0|1,0,0]=3 1175 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AM85058 [0,2,0,0,0,0|1,1,0]=4 1176 B8R1.51 N[C@H]1CCS(=O)(=O)C1 AMY37458 [0,2,0,0,0,0|1,1,0]=4 1177 B8R1.51 O=C1CCC(F)(F)C1 AMY6155 [0,2,0,0,0,0|0,1,1]=4 1178 B8R1.19 CC1(C)CCCC1=O AMY25679 [0,2,0,0,0,0|0,1,1]=4 1179 B8R1.19 C[C@H]1CNCC1(F)F AMY14704 [0,2,0,0,0,0|2,0,0]=4 1180 B8R1.19 O[C@H]1CNCC1(F)F AMY35764 [0,2,0,0,0,0|1,1,0]=4 1181 B6R1.3 BrCCC1CC1 AMY202003230 [0,0,1,1,0,0|2,0,0]=4 1182 B6R1.3 BrCC[C@H]1CO1 AMY20094 [0,0,1,1,0,0|1,1,0]=4 1183 B6R1.3 CNCC1CC1 AM803431 [0,0,1,1,0,0|2,0,0]=4 1184 B6R1.3 CNCC1CC1 AMY34463 [0,0,1,1,0,0|2,0,0]=4 1185 B6R1.3 COC[C@H]1CO1 AM20120337 [0,0,1,1,0,0|1,1,0]=4 1186 B6R1.3 ICCC1CC1 AMY34362 [0,0,1,1,0,0|2,0,0]=4 1187 B6R1.3 NCCC1CC1 AMY39140 [0,0,1,1,0,0|2,0,0]=4 1188 B6R1.3 NCCC1CC1 AMY4139 [0,0,1,1,0,0|2,0,0]=4 1189 B6R1.3 OCCC1CC1 AMY3915 [0,0,1,1,0,0|2,0,0]=4 1190 B6R1.8 CC1CC1CN AM806562 [0,0,1,1,0,0|2,0,0]=4 1191 B6R1.8 CC1CC1CO AM804126 [0,0,1,1,0,0|2,0,0]=4 1192 B6R1.8 OC[C@@H]1C[C@@H]1F AMY5785 [0,0,1,1,0,0|2,0,0]=4 1193 B6R1.11 CC(=O)C1CC1 AM83286 [0,0,1,1,0,0|0,1,1]=4 1194 B6R1.11 C[C@H](N)C1CC1 AM804149 [0,0,1,1,0,0|1,0,0]=3 1195 B6R1.11 C[C@H](N)C1CC1 AM806511 [0,0,1,1,0,0|1,0,0]=3 1196 B6R1.11 C[C@H](O)C1CC1 AM804334 [0,0,1,1,0,0|0,1,0]=3 1197 B6R1.1 C1=CCCCC1 AMY17792 [0,0,1,1,0,0|1,0,1]=4 1198 B6R1.1 C1=CCSCC1 AMY37369 [0,0,1,1,0,0|0,0,2]=4 1199 B6R1.1 C1CCCCC1 AMY11047 [0,0,1,1,0,0|1,0,0]=3 1200 B6R1.1 C1CCNCC1 AMY40816 [0,0,1,1,0,0|1,0,0]=3 1201 B6R1.1 C1CCNNC1 AMY19957 [0,0,1,1,0,0|2,0,0]=4 1202 B6R1.1 C1CCOCC1 AMY8873 [0,0,1,1,0,0|0,1,0]=3 1203 B6R1.1 C1CCONC1 AM804032 [0,0,1,1,0,0|1,1,0]=4 1204 B6R1.1 C1CCONC1 AMY42463 [0,0,1,1,0,0|1,1,0]=4 1205 B6R1.1 C1CNCOC1 AMY28616 [0,0,1,1,0,0|1,1,0]=4 1206 B6R1.1 C1COCCN1 AMY14878 [0,0,1,1,0,0|1,1,0]=4 1207 B6R1.1 C1COCCN1 AMY22834 [0,0,1,1,0,0|1,1,0]=4 1208 B6R1.1 C1COCCN1 AMY721 [0,0,1,1,0,0|1,1,0]=4 1209 B6R1.1 C1COCCO1 AMY33329 [0,0,1,1,0,0|1,1,0]=4 1210 B6R1.1 C1CSCCN1 AM807014 [0,0,1,1,0,0|1,0,0]=3 1211 B6R1.1 C1CSCCO1 AMY25585 [0,0,1,1,0,0|1,0,0]=3 1212 B6R1.7 CC1(CN)CC1 AM806561 [0,0,1,1,0,0|2,0,0]=4 1213 B6R1.7 CC1(CN)CC1 AMY19193 [0,0,1,1,0,0|2,0,0]=4 1214 B6R1.7 CC1(CO)CC1 AM803621 [0,0,1,1,0,0|2,0,0]=4 1215 B6R1.7 NC1(CO)CC1 AM81133 [0,0,1,1,0,0|2,0,0]=4 1216 B6R1.7 NC1(CO)CC1 AMY5592 [0,0,1,1,0,0|2,0,0]=4 1217 B6R1.7 NCC1(F)CC1 AMY202003206 [0,0,1,1,0,0|2,0,0]=4 1218 B6R1.7 NCC1(O)CC1 AM804312 [0,0,1,1,0,0|1,1,0]=4 1219 B8R2.11 NC1[C@H]2COC[C@H]12 AMY23753 [0,0,0,1,0,1|1,0,0]=3 1220 B8R2.18 OC1CC2CC2C1 AMY26501 [0,0,0,1,0,1|0,1,0]=3 1221 B8R2.23 C1NCC2CC1C2 AMY26080 [0,0,0,1,0,1|1,0,0]=3 1222 B8R2.23 C1NCC2CC1O2 AM10861 [0,0,0,1,0,1|0,1,0]=3 1223 B8R2.23 C1NCC2CC1O2 AMY12205 [0,0,0,1,0,1|0,1,0]=3 1224 B8R2.23 C1OCC2CC1N2 AM803637 [0,0,0,1,0,1|1,0,0]=3 1225 B8R2.25 C1CC2OC2CO1 AMY11235 [0,0,0,1,0,1|0,1,0]=3 1226 B8R2.34 C1=CC2CCC1C2 AMY10401 [0,0,0,1,0,1|1,0,1]=4 1227 B8R2.34 C1CC2CC1CN2 AMY6354 [0,0,0,1,0,1|1,0,0]=3 1228 B8R2.34 C1CC2CCC1N2 AM20070524 [0,0,0,1,0,1|1,0,0]=3 1229 B8R2.34 C1CC2CCC1N2 AMY11781 [0,0,0,1,0,1|1,0,0]=3 1230 B8R2.34 C1OC2CNC1C2 AMY33619 [0,0,0,1,0,1|2,0,0]=4 1231 B8R2.34 C1O[C@@H]2CN[C@H]1C2 AM20120312 [0,0,0,1,0,1|2,0,0]=4 1232 B8R2.34 C1O[C@H]2CN[C@@H]1C2 AMY202003237 [0,0,0,1,0,1|2,0,0]=4 1233 B8R2.22 C1CC2CNCC12 AM806556 [0,1,0,1,0,0|2,0,0]=4 1234 B8R2.22 C1NC2COCC12 AM806551 [0,1,0,1,0,0|2,0,0]=4 1235 B8R2.55 C1CC2(CC2)CN1 AM806555 [0,1,0,1,0,0|2,0,0]=4 1236 B8R2.55 C1CC2(CC2)CN1 AMY26252 [0,1,0,1,0,0|2,0,0]=4 1237 B8R2.55 C1CNC2(C1)CC2 AMY33805 [0,1,0,1,0,0|2,0,0]=4 1238 B4R1.1 C1CNC1 AM20080889 [1,0,0,0,1,0|1,0,0]=3 1239 B4R1.1 C1CNC1 AM20090583 [1,0,0,0,1,0|1,0,0]=3 1240 B4R1.1 C1COC1 AM20020039 [1,0,0,0,1,0|1,0,0]=3 1241 B4R1.2 BrC1CC1 AM90210 [0,0,0,0,2,0|1,0,0]=3 1242 B4R1.2 C[C@H]1CO1 AM81470 [0,0,0,0,2,0|2,0,0]=4 1243 B4R1.2 C[C@H]1CO1 AM81471 [0,0,0,0,2,0|2,0,0]=4 1244 B4R1.2 NC1CC1 AM804333 [0,0,0,0,2,0|1,0,0]=3 1245 B4R1.2 OC1CC1 AMY35209 [0,0,0,0,2,0|0,1,0]=3 1246 B8R1.22 CN1CCCNCC1 AMY31990 [0,0,0,0,0,2|2,0,0]=4 1247 B8R1.22 C[C@H]1CCCNCC1 AM803851 [0,0,0,0,0,2|1,0,0]=3 1248 B8R1.22 C[C@H]1CCNCCN1 AMY38552 [0,0,0,0,0,2|1,0,0]=3 1249 B8R1.22 C[C@H]1CNCCCN1 AMY15712 [0,0,0,0,0,2|1,0,0]=3 1250 B8R1.22 C[C@H]1CNCCCO1 AM806380 [0,0,0,0,0,2|1,0,0]=3 1251 B8R1.22 FC1CNCCNC1 AM90251 [0,0,0,0,0,2|1,0,0]=3 1252 B8R1.22 F[C@H]1CCCCNC1 AM806514 [0,0,0,0,0,2|1,0,0]=3 1253 B8R1.22 F[C@H]1CCCNCC1 AM806515 [0,0,0,0,0,2|1,0,0]=3 1254 B8R1.22 F[C@H]1CCCNCC1 AMY34974 [0,0,0,0,0,2|1,0,0]=3 1255 B8R1.22 N[C@@H]1CCCCNC1 AMY3810 [0,0,0,0,0,2|1,0,0]=3 1256 B8R1.22 N[C@H]1CCCCNC1 AM20100642 [0,0,0,0,0,2|1,0,0]=3 1257 B8R1.22 N[C@H]1CCCCNC1 AM9633 [0,0,0,0,0,2|1,0,0]=3 1258 B8R1.22 O=C1CCCCCC1 AMY3995 [0,0,0,0,0,2|0,1,1]=4 1259 B8R1.22 O=C1CCCCCN1 AM802872 [0,0,0,0,0,2|0,1,1]=4 1260 B8R1.22 O=C1CCCNCC1 AM20100232 [0,0,0,0,0,2|0,1,1]=4 1261 B8R1.22 O=C1CCNCCN1 AM20090172 [0,0,0,0,0,2|0,1,1]=4 1262 B8R1.22 O=C1CCNCCN1 AM85736 [0,0,0,0,0,2|0,1,1]=4 1263 B8R1.22 O=C1CNCCCN1 AM804637 [0,0,0,0,0,2|0,1,1]=4 1264 B8R1.22 OC1CNCCNC1 AM90255 [0,0,0,0,0,2|0,1,0]=3 1265 B8R1.22 O[C@H]1CCCNCC1 AM802973 [0,0,0,0,0,2|0,1,0]=3