0 B5R0.1 CCC[C@H](C)N SPC-k309 [1,0,0,0,0,0|2,0,0]=3 1 B5R0.1 C[C@@H](N)CCO SPC-g658 [1,0,0,0,0,0|1,0,0]=2 2 B5R0.1 C[C@H](N)CCO SPC-n760 [1,0,0,0,0,0|1,0,0]=2 3 B5R0.1 NCCC(F)F SPC-w135 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.1 OCCC(F)F SPC-u602 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.3 C=C(CO)CO SPC-g493 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.3 NC[C@@H](F)CO SPC-s654 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.3 NC[C@H](F)CF SPC-w136 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.3 NC[C@H](F)CO SPC-s667 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.10 NC[C@@H](F)[C@H](F)CF SPC-w141 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.10 NC[C@H](F)[C@H](F)CF SPC-w142 [0,1,0,0,0,0|3,0,0]=4 11 B7R1.1 BrCC1CCCC1 SPC-s715 [0,0,0,1,0,0|2,0,0]=3 12 B7R1.1 BrC[C@H]1CCCO1 SPC-g076 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.1 BrC[C@H]1CCOC1 SPC-h480 [0,0,0,1,0,0|1,0,0]=2 14 B7R1.1 CC[C@@H]1CCNC1 SPC-m807 [0,0,0,1,0,0|1,0,0]=2 15 B7R1.1 CC[C@H]1CCNC1 SPC-m813 [0,0,0,1,0,0|1,0,0]=2 16 B7R1.1 CN[C@@H]1CCOC1 SPC-u441 [0,0,0,1,0,0|1,0,0]=2 17 B7R1.1 CN[C@H]1CCOC1 SPC-j154 [0,0,0,1,0,0|1,0,0]=2 18 B7R1.1 CN[C@H]1CCOC1 SPC-t742 [0,0,0,1,0,0|1,0,0]=2 19 B7R1.1 CO[C@@H]1CCNC1 SPC-h272 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.1 CO[C@H]1CCNC1 SPC-h271 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.1 CO[C@H]1CCNC1 SPC-h273 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.1 FC[C@@H]1CCCN1 SPC-h660 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.1 FC[C@@H]1CCNC1 SPC-v090 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.1 FC[C@H]1CCCN1 SPC-j761 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.1 IC[C@H]1CCOC1 SPC-j340 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.1 N#C[C@@H]1CCNC1 SPC-m809 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.1 N#C[C@@H]1CCOC1 SPC-i063 [0,0,0,1,0,0|1,0,1]=3 28 B7R1.1 N#C[C@H]1CCNC1 SPC-m594 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.1 N#C[C@H]1CCNC1 SPC-n498 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.1 N#C[C@H]1CCOC1 SPC-g788 [0,0,0,1,0,0|1,0,1]=3 31 B7R1.1 NCC1CCCC1 SPC-k191 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.1 NCC1CCCC1 SPC-t893 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.1 NC[C@@H]1CCCN1 SPC-k181 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.1 NC[C@@H]1CCOC1 SPC-j343 [0,0,0,1,0,0|1,0,0]=2 35 B7R1.1 NC[C@@H]1CCOC1 SPC-j344 [0,0,0,1,0,0|1,0,0]=2 36 B7R1.1 NC[C@H]1CCOC1 SPC-g368 [0,0,0,1,0,0|1,0,0]=2 37 B7R1.1 NC[C@H]1CCOC1 SPC-g369 [0,0,0,1,0,0|1,0,0]=2 38 B7R1.1 NC[C@H]1CCOC1 SPC-j341 [0,0,0,1,0,0|1,0,0]=2 39 B7R1.1 OCC1CC=CC1 SPC-m309 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.1 OC[C@@H]1CCCN1 SPC-g330 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.1 OC[C@@H]1CCNC1 SPC-k806 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.1 OC[C@@H]1CCNC1 SPC-n751 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.1 OC[C@@H]1CCOC1 SPC-h734 [0,0,0,1,0,0|1,0,0]=2 44 B7R1.1 OC[C@H]1CCCN1 SPC-m785 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.1 OC[C@H]1CCNC1 SPC-k804 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.1 OC[C@H]1CCNC1 SPC-k805 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.1 OC[C@H]1CCNC1 SPC-n768 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.1 OC[C@H]1CCOC1 SPC-j339 [0,0,0,1,0,0|1,0,0]=2 49 B7R1.1 OC[C@H]1CCOC1 SPC-n475 [0,0,0,1,0,0|1,0,0]=2 50 B7R1.2 CN1CC[C@@H](N)C1 SPC-j082 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.2 CN1CC[C@@H](O)C1 SPC-j193 [0,0,0,1,0,0|1,0,0]=2 52 B7R1.2 CN1CC[C@H](N)C1 SPC-j081 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.2 CN1CC[C@H](N)C1 SPC-m812 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.2 CN1CC[C@H](O)C1 SPC-j192 [0,0,0,1,0,0|1,0,0]=2 55 B7R1.2 C[C@@H]1CC[C@@H](C)N1 SPC-s036 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [0,0,0,1,0,0|1,0,2]=4 57 B7R1.2 C[C@@H]1C[C@H](O)CN1 SPC-q565 [0,0,0,1,0,0|1,0,0]=2 58 B7R1.2 C[C@H]1CC[C@@H](C)N1 SPC-s037 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [0,0,0,1,0,0|1,0,2]=4 60 B7R1.2 C[C@H]1C[C@@H](O)CN1 SPC-r278 [0,0,0,1,0,0|1,0,0]=2 61 B7R1.2 C[C@H]1C[C@H](O)CN1 SPC-n775 [0,0,0,1,0,0|1,0,0]=2 62 B7R1.2 NC1CCC(O)C1 SPC-k139 [0,0,0,1,0,0|1,0,0]=2 63 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SPC-m760 [0,0,0,1,0,0|1,0,0]=2 64 B7R1.2 N[C@@H]1CC[C@H](O)C1 SPC-m283 [0,0,0,1,0,0|1,0,0]=2 65 B7R1.2 N[C@H]1CC[C@@H](F)C1 SPC-s017 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.2 N[C@H]1CC[C@@H](O)C1 SPC-m402 [0,0,0,1,0,0|1,0,0]=2 67 B7R1.2 N[C@H]1CC[C@H](O)C1 SPC-m401 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [0,0,0,1,0,0|1,0,1]=3 69 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.2 OC1CCC(O)C1 SPC-n357 [0,0,0,1,0,0|1,0,0]=2 71 B7R1.2 O[C@@H]1CC[C@@H](O)C1 SPC-s639 [0,0,0,1,0,0|1,0,0]=2 72 B7R1.2 O[C@H]1CC[C@@H](O)C1 SPC-q785 [0,0,0,1,0,0|1,0,0]=2 73 B7R1.3 BrC1CCOCC1 SPC-g434 [0,0,0,1,0,0|1,0,0]=2 74 B7R1.3 C=C1CCOCC1 SPC-m646 [0,0,0,1,0,0|0,0,2]=3 75 B7R1.3 CC1=CCNCC1 SPC-h455 [0,0,0,1,0,0|1,0,2]=4 76 B7R1.3 C[C@@H]1CNCCN1 SPC-g041 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.3 C[C@@H]1CNCCO1 SPC-n699 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.3 C[C@@H]1COCCN1 SPC-g660 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.3 C[C@H]1CNCCO1 SPC-m798 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.3 C[C@H]1COCCN1 SPC-m696 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.3 FC1CCNCC1 SPC-g555 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.3 F[C@@H]1CCCNC1 SPC-i353 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.3 F[C@H]1CCCNC1 SPC-i164 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.3 F[C@H]1CCCNC1 SPC-j119 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.3 IC1CCOCC1 SPC-g782 [0,0,0,1,0,0|1,0,0]=2 86 B7R1.3 NC1CCOCC1 SPC-g166 [0,0,0,1,0,0|1,0,0]=2 87 B7R1.3 NC1CCSCC1 SPC-a111 [0,0,0,1,0,0|1,1,0]=3 88 B7R1.3 N[C@@H]1CCCOC1 SPC-s681 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.3 N[C@H]1CCCOC1 SPC-n767 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.3 O=C1CCOCC1 SPC-g072 [0,0,0,1,0,0|1,0,1]=3 91 B7R1.3 O=C1CCSCC1 SPC-g130 [0,0,0,1,0,0|1,1,1]=4 92 B7R1.3 OC1CCOCC1 SPC-g695 [0,0,0,1,0,0|1,0,0]=2 93 B7R1.3 O[C@@H]1CCCNC1 SPC-j185 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.3 O[C@@H]1CCCOC1 SPC-u362 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.3 O[C@H]1CCCNC1 SPC-g006 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.3 O[C@H]1CCCNC1 SPC-g045 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.3 O[C@H]1CCCNC1 SPC-h058 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.3 O[C@H]1CCCOC1 SPC-h213 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.3 O[C@H]1CCCOC1 SPC-u595 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.3 SC1CCNCC1 SPC-m332 [0,0,0,1,0,0|2,0,0]=3 101 B7R1.3 S[C@H]1CCCNC1 SPC-n485 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.4 CC1CNCC1C SPC-t668 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.4 C[C@@H]1CNC[C@@H]1O SPC-r275 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.4 C[C@@H]1CNC[C@H]1O SPC-r274 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.4 C[C@@H]1COC[C@H]1N SPC-q478 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-q799 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-v328 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.4 N[C@@H]1CCC[C@H]1F SPC-t364 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.4 N[C@@H]1CCC[C@H]1N SPC-q798 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.4 N[C@@H]1CCC[C@H]1O SPC-k050 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.4 N[C@H]1CCC[C@@H]1O SPC-k049 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.4 N[C@H]1CCC[C@H]1N SPC-s473 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.4 N[C@H]1CCC[C@H]1O SPC-s007 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.6 C=CCC1CNC1 SPC-i312 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.6 CCNC1COC1 SPC-a295 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.6 CCOC1CNC1 SPC-u336 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.6 CNCC1COC1 SPC-a301 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.6 COCC1CNC1 SPC-h904 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.6 COCC1CNC1 SPC-h928 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.6 COC[C@@H]1CCN1 SPC-i094 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.6 COC[C@@H]1CCN1 SPC-n711 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.6 COC[C@H]1CCN1 SPC-h990 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.6 COC[C@H]1CCN1 SPC-i646 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.6 N#CCC1CNC1 SPC-h982 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.6 NCCC1CCC1 SPC-p217 [0,0,0,1,0,0|1,0,0]=2 127 B7R1.6 NCCC1COC1 SPC-t456 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.6 NCCN1CCC1 SPC-k453 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.6 NCC[C@H]1CCO1 SPC-s809 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.6 NNCC1CCC1 SPC-n354 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.6 OCCC1CNC1 SPC-a312 [0,0,0,1,0,0|1,0,0]=2 132 B7R1.6 OCCC1CNC1 SPC-q679 [0,0,0,1,0,0|1,0,0]=2 133 B7R1.6 OCCC1COC1 SPC-a030 [0,0,0,1,0,0|1,0,0]=2 134 B7R1.6 OCC[C@H]1CCO1 SPC-t605 [0,0,0,1,0,0|1,0,0]=2 135 B7R1.8 CN1CC[C@@H]1CN SPC-n649 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.8 CN1CC[C@@H]1CN SPC-n832 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.8 CN1CC[C@@H]1CO SPC-v650 [0,0,0,1,0,0|1,0,0]=2 138 B7R1.8 CN1CC[C@H]1CN SPC-n833 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [0,0,0,1,0,0|1,0,1]=3 140 B7R1.10 CCN1CC(N)C1 SPC-i103 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.10 CCN1CC(O)C1 SPC-i868 [0,0,0,1,0,0|1,0,0]=2 142 B7R1.10 CN1CC(CN)C1 SPC-a123 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.10 CN1CC(CO)C1 SPC-m755 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.10 CNC1CN(C)C1 SPC-h979 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.10 CN[C@H]1C[C@H](O)C1 SPC-i936 [0,0,0,1,0,0|1,0,0]=2 146 B7R1.10 COC1CC(=O)C1 SPC-i084 [0,0,0,1,0,0|1,0,2]=4 147 B7R1.10 COC1CC(N)C1 SPC-h655 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.10 N#CC1CC(F)C1 SPC-q757 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.10 N#CC1CC(O)C1 SPC-i870 [0,0,0,1,0,0|1,0,1]=3 150 B7R1.10 N#C[C@H]1C[C@@H](O)C1 SPC-u824 [0,0,0,1,0,0|1,0,1]=3 151 B7R1.10 N#C[C@H]1C[C@H](N)C1 SPC-t371 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.10 N#C[C@H]1C[C@H](O)C1 SPC-v028 [0,0,0,1,0,0|1,0,1]=3 153 B7R1.10 NC1CC(CO)C1 SPC-h550 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.10 NCC1CC(F)C1 SPC-h035 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.10 NCC1CC(O)C1 SPC-i622 [0,0,0,1,0,0|1,0,0]=2 156 B7R1.10 NC[C@H]1C[C@@H](O)C1 SPC-h960 [0,0,0,1,0,0|1,0,0]=2 157 B7R1.10 NC[C@H]1C[C@H](O)C1 SPC-h558 [0,0,0,1,0,0|1,0,0]=2 158 B7R1.10 O=C1CC(CBr)C1 SPC-h451 [0,0,0,1,0,0|1,0,2]=4 159 B7R1.10 O=C1CC(CCl)C1 SPC-i140 [0,0,0,1,0,0|1,0,2]=4 160 B7R1.10 O=C1CC(CO)C1 SPC-h515 [0,0,0,1,0,0|1,0,2]=4 161 B7R1.10 OCC1CC(Cl)C1 SPC-h593 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.10 OCC1CC(F)C1 SPC-s675 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.10 OCC1CC(O)C1 SPC-v198 [0,0,0,1,0,0|1,0,0]=2 164 B7R1.21 CC1(CCO)CC1 SPC-p066 [0,0,0,1,0,0|0,0,0]=1 165 B7R1.21 OCCC1(O)CC1 SPC-t472 [0,0,0,1,0,0|1,0,0]=2 166 B7R1.22 CC[C@H](N)C1CC1 SPC-n986 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.22 N[C@H](CO)C1CC1 SPC-t738 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.25 CC1(CBr)COC1 SPC-h211 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.25 CC1(CI)COC1 SPC-g872 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.25 CC1(CN)CCC1 SPC-h987 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.25 CC1(CN)CNC1 SPC-i294 [0,0,0,1,0,0|3,0,0]=4 172 B7R1.25 CC1(CN)COC1 SPC-a025 [0,0,0,1,0,0|3,0,0]=4 173 B7R1.25 CC1(CO)CCC1 SPC-o100 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.25 CC1(CO)CNC1 SPC-i603 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.25 CC1(CO)COC1 SPC-a028 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.25 CC1(CO)CSC1 SPC-a105 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.25 CCC1(N)CNC1 SPC-s932 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.25 CCC1(N)COC1 SPC-i068 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.25 CCC1(O)CNC1 SPC-i547 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.25 CCC1(O)COC1 SPC-w032 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.25 CNC1(C)COC1 SPC-i109 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.25 CNC1(C)COC1 SPC-i954 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.25 COC1(C)CNC1 SPC-i510 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.25 C[C@]1(CO)CCO1 SPC-v359 [0,0,0,1,0,0|1,0,0]=2 185 B7R1.25 NC1(CO)CCC1 SPC-h940 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.25 NCC1(F)CCC1 SPC-k558 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.25 NCC1(N)CCC1 SPC-w108 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.25 NCC1(O)CCC1 SPC-n896 [0,0,0,1,0,0|3,0,0]=4 189 B4R0.1 C#C[C@H](C)O SPC-s670 [2,0,0,0,0,0|0,0,2]=4 190 B4R0.1 C#C[C@H](C)O SPC-t138 [2,0,0,0,0,0|0,0,2]=4 191 B4R0.2 C=CCCO SPC-t137 [2,0,0,0,0,0|0,0,2]=4 192 B6R0.2 CC(C)CB(O)O SPC-r379 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.3 C[C@@H](F)[C@@H](F)CN SPC-w140 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.3 C[C@@H](F)[C@H](F)CN SPC-w143 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.5 CC(C)(C)CC=O SPC-v719 [1,1,0,0,0,0|0,0,2]=4 196 B6R0.5 CC(F)(F)CCN SPC-w139 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.5 C[Si](C)(C)CCO SPC-k286 [1,1,0,0,0,0|0,1,0]=3 198 B6R0.6 ICCCCCI SPC-m904 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.8 CCC(F)(F)CN SPC-w138 [1,1,0,0,0,0|2,0,0]=4 200 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [1,0,0,1,0,0|1,0,0]=3 201 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [1,0,0,1,0,0|2,0,0]=4 202 B6R1.2 C[C@H]1CCCN1 SPC-r295 [1,0,0,1,0,0|2,0,0]=4 203 B6R1.2 F[C@@H]1CCNC1 SPC-g912 [1,0,0,1,0,0|2,0,0]=4 204 B6R1.2 F[C@@H]1CCNC1 SPC-s680 [1,0,0,1,0,0|2,0,0]=4 205 B6R1.2 F[C@H]1CCNC1 SPC-h119 [1,0,0,1,0,0|2,0,0]=4 206 B6R1.2 F[C@H]1CCNC1 SPC-j083 [1,0,0,1,0,0|2,0,0]=4 207 B6R1.2 IC1CCCC1 SPC-n407 [1,0,0,1,0,0|2,0,0]=4 208 B6R1.2 I[C@H]1CCOC1 SPC-h290 [1,0,0,1,0,0|1,0,0]=3 209 B6R1.2 I[C@H]1CCOC1 SPC-j336 [1,0,0,1,0,0|1,0,0]=3 210 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [1,0,0,1,0,0|1,0,0]=3 211 B6R1.2 N[C@H]1CCOC1 SPC-g942 [1,0,0,1,0,0|1,0,0]=3 212 B6R1.2 N[C@H]1CCOC1 SPC-g966 [1,0,0,1,0,0|1,0,0]=3 213 B6R1.2 O=C1CCOC1 SPC-g234 [1,0,0,1,0,0|1,0,1]=4 214 B6R1.2 O[C@@H]1CCNC1 SPC-g149 [1,0,0,1,0,0|2,0,0]=4 215 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [1,0,0,1,0,0|1,0,0]=3 216 B6R1.2 O[C@H]1CCNC1 SPC-g033 [1,0,0,1,0,0|2,0,0]=4 217 B6R1.2 O[C@H]1CCNC1 SPC-g282 [1,0,0,1,0,0|2,0,0]=4 218 B6R1.2 O[C@H]1CCNC1 SPC-g363 [1,0,0,1,0,0|2,0,0]=4 219 B6R1.2 O[C@H]1CCOC1 SPC-g096 [1,0,0,1,0,0|1,0,0]=3 220 B6R1.2 O[C@H]1CCOC1 SPC-g256 [1,0,0,1,0,0|1,0,0]=3 221 B6R1.3 CNCC1CC1 SPC-h311 [1,0,0,1,0,0|2,0,0]=4 222 B6R1.3 ICCC1CC1 SPC-k255 [1,0,0,1,0,0|1,0,0]=3 223 B6R1.3 N#CCC1CC1 SPC-t648 [1,0,0,1,0,0|1,0,1]=4 224 B6R1.3 NCCC1CC1 SPC-t690 [1,0,0,1,0,0|1,0,0]=3 225 B6R1.3 NNCC1CC1 SPC-k402 [1,0,0,1,0,0|2,0,0]=4 226 B6R1.3 OCCC1CC1 SPC-h056 [1,0,0,1,0,0|0,0,0]=2 227 B6R1.5 CC1CC(=O)C1 SPC-n075 [1,0,0,1,0,0|0,0,2]=4 228 B6R1.5 CN1CC(Cl)C1 SPC-u755 [1,0,0,1,0,0|2,0,0]=4 229 B6R1.5 CN1CC(N)C1 SPC-a122 [1,0,0,1,0,0|2,0,0]=4 230 B6R1.5 CN1CC(N)C1 SPC-a122 [1,0,0,1,0,0|2,0,0]=4 231 B6R1.5 CN1CC(O)C1 SPC-h814 [1,0,0,1,0,0|1,0,0]=3 232 B6R1.5 C[C@H]1C[C@@H](N)C1 SPC-t414 [1,0,0,1,0,0|1,0,0]=3 233 B6R1.5 NC1CC(F)C1 SPC-a126 [1,0,0,1,0,0|2,0,0]=4 234 B6R1.5 NC1CC(N)C1 SPC-k955 [1,0,0,1,0,0|2,0,0]=4 235 B6R1.5 NC1CC(O)C1 SPC-h237 [1,0,0,1,0,0|1,0,0]=3 236 B6R1.5 NC1CC(O)C1 SPC-h906 [1,0,0,1,0,0|1,0,0]=3 237 B6R1.5 NN1CC(O)C1 SPC-n969 [1,0,0,1,0,0|2,0,0]=4 238 B6R1.5 N[C@H]1C[C@@H](F)C1 SPC-i447 [1,0,0,1,0,0|2,0,0]=4 239 B6R1.5 N[C@H]1C[C@@H](N)C1 SPC-i052 [1,0,0,1,0,0|2,0,0]=4 240 B6R1.5 N[C@H]1C[C@@H](O)C1 SPC-h453 [1,0,0,1,0,0|1,0,0]=3 241 B6R1.5 N[C@H]1C[C@H](F)C1 SPC-i830 [1,0,0,1,0,0|2,0,0]=4 242 B6R1.5 N[C@H]1C[C@H](N)C1 SPC-i730 [1,0,0,1,0,0|2,0,0]=4 243 B6R1.5 N[C@H]1C[C@H](N)C1 SPC-i825 [1,0,0,1,0,0|2,0,0]=4 244 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-h454 [1,0,0,1,0,0|1,0,0]=3 245 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-i099 [1,0,0,1,0,0|1,0,0]=3 246 B6R1.5 OC1CC(F)C1 SPC-i817 [1,0,0,1,0,0|1,0,0]=3 247 B6R1.5 OC1CC(O)C1 SPC-v254 [1,0,0,1,0,0|1,0,0]=3 248 B6R1.5 O[C@H]1C[C@@H](F)C1 SPC-p948 [1,0,0,1,0,0|1,0,0]=3 249 B6R1.5 O[C@H]1C[C@H](F)C1 SPC-q477 [1,0,0,1,0,0|1,0,0]=3 250 B6R1.10 CC1(C)CNC1 SPC-h500 [1,0,0,1,0,0|2,0,0]=4 251 B6R1.10 CC1(N)CCC1 SPC-h418 [1,0,0,1,0,0|2,0,0]=4 252 B6R1.11 C[C@@H](N)C1CC1 SPC-v104 [1,0,0,1,0,0|2,0,0]=4 253 B6R1.11 C[C@H](N)C1CC1 SPC-n670 [1,0,0,1,0,0|2,0,0]=4 254 B6R1.1 C1=CCOCC1 SPC-h047 [1,0,0,1,0,0|0,0,2]=4 255 B6R1.1 C1CSCCN1 SPC-g309 [1,0,0,1,0,0|1,1,0]=4 256 B6R1.1 C1CSCSC1 SPC-s111 [1,0,0,1,0,0|1,1,0]=4 257 B6R1.4 CC1OCC1O SPC-r006 [1,0,0,1,0,0|1,0,0]=3 258 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u139 [1,0,0,1,0,0|1,0,0]=3 259 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u948 [1,0,0,1,0,0|1,0,0]=3 260 B6R1.4 C[C@@H]1NC[C@H]1O SPC-u025 [1,0,0,1,0,0|1,0,0]=3 261 B6R1.4 C[C@H]1NC[C@H]1O SPC-v658 [1,0,0,1,0,0|1,0,0]=3 262 B6R1.4 NC1CCC1O SPC-u019 [1,0,0,1,0,0|1,0,0]=3 263 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [1,0,0,1,0,0|1,0,0]=3 264 B6R1.4 N[C@@H]1CC[C@H]1N SPC-a439 [1,0,0,1,0,0|2,0,0]=4 265 B6R1.4 N[C@H]1CC[C@H]1N SPC-a438 [1,0,0,1,0,0|2,0,0]=4 266 B6R1.6 BrCC1COC1 SPC-i089 [1,0,0,1,0,0|2,0,0]=4 267 B6R1.6 BrC[C@H]1CCO1 SPC-i209 [1,0,0,1,0,0|1,0,0]=3 268 B6R1.6 ClCC1COC1 SPC-t682 [1,0,0,1,0,0|2,0,0]=4 269 B6R1.6 FCC1CNC1 SPC-v205 [1,0,0,1,0,0|2,0,0]=4 270 B6R1.6 ICC1CCC1 SPC-m826 [1,0,0,1,0,0|1,0,0]=3 271 B6R1.6 ICC1COC1 SPC-i045 [1,0,0,1,0,0|2,0,0]=4 272 B6R1.6 IC[C@H]1CCO1 SPC-i189 [1,0,0,1,0,0|1,0,0]=3 273 B6R1.6 NCC1CCC1 SPC-a097 [1,0,0,1,0,0|1,0,0]=3 274 B6R1.6 NCC1CCC1 SPC-g882 [1,0,0,1,0,0|1,0,0]=3 275 B6R1.6 NCC1COC1 SPC-a020 [1,0,0,1,0,0|2,0,0]=4 276 B6R1.6 NCC1COC1 SPC-n824 [1,0,0,1,0,0|2,0,0]=4 277 B6R1.6 NCC1CSC1 SPC-a104 [1,0,0,1,0,0|2,0,0]=4 278 B6R1.6 NCC1CSC1 SPC-i360 [1,0,0,1,0,0|2,0,0]=4 279 B6R1.6 NC[C@H]1CCN1 SPC-i204 [1,0,0,1,0,0|2,0,0]=4 280 B6R1.6 NC[C@H]1CCO1 SPC-a305 [1,0,0,1,0,0|1,0,0]=3 281 B6R1.6 OCC1CNC1 SPC-a250 [1,0,0,1,0,0|1,0,0]=3 282 B6R1.6 OCC1CNC1 SPC-j113 [1,0,0,1,0,0|1,0,0]=3 283 B6R1.6 OCC1COC1 SPC-a076 [1,0,0,1,0,0|1,0,0]=3 284 B6R1.6 OCC1CSC1 SPC-i307 [1,0,0,1,0,0|1,0,0]=3 285 B6R1.6 OC[C@@H]1CCN1 SPC-i144 [1,0,0,1,0,0|1,0,0]=3 286 B6R1.6 OC[C@H]1CCN1 SPC-i191 [1,0,0,1,0,0|1,0,0]=3 287 B6R1.6 OC[C@H]1CCN1 SPC-k756 [1,0,0,1,0,0|1,0,0]=3 288 B6R1.6 OC[C@H]1CCO1 SPC-a306 [1,0,0,1,0,0|1,0,0]=3 289 B6R1.7 CC1(CO)CC1 SPC-s643 [1,0,0,1,0,0|0,0,0]=2 290 B6R1.7 CCC1(N)CC1 SPC-m910 [1,0,0,1,0,0|1,0,0]=3 291 B6R1.7 C[C@@]1(CO)CO1 SPC-v389 [1,0,0,1,0,0|1,0,0]=3 292 B6R1.7 NC1(CO)CC1 SPC-m032 [1,0,0,1,0,0|1,0,0]=3 293 B6R1.7 NC1(CO)CC1 SPC-n639 [1,0,0,1,0,0|1,0,0]=3 294 B6R1.7 NCC1(F)CC1 SPC-u921 [1,0,0,1,0,0|2,0,0]=4 295 B6R1.7 NCC1(N)CC1 SPC-w107 [1,0,0,1,0,0|2,0,0]=4 296 B6R1.7 NCC1(O)CC1 SPC-t963 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.1 CN1CC[C@@H](CN)C1 SPC-m834 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.1 CN1CC[C@@H](CN)C1 SPC-m835 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.1 CN1CC[C@@H](CO)C1 SPC-j335 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.1 CN1CC[C@H](CN)C1 SPC-h345 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.1 CN1CC[C@H](CN)C1 SPC-n837 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.1 CN1CC[C@H](CO)C1 SPC-j334 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.1 O=C1CC[C@@H](CO)N1 SPC-g157 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.1 O=C1CC[C@H](CO)N1 SPC-n804 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 SPC-h148 [0,1,0,1,0,0|1,0,0]=3 306 B8R1.1 OC[C@@H]1C[C@H](O)CN1 SPC-t928 [0,1,0,1,0,0|1,0,0]=3 307 B8R1.1 OC[C@H]1C[C@H](O)CN1 SPC-r289 [0,1,0,1,0,0|1,0,0]=3 308 B8R1.4 CC1CC(N)CCO1 SPC-m997 [0,1,0,1,0,0|1,0,0]=3 309 B8R1.4 CC1CC(O)CCN1 SPC-p253 [0,1,0,1,0,0|0,0,0]=2 310 B8R1.4 CC1CC(O)CCN1 SPC-r050 [0,1,0,1,0,0|0,0,0]=2 311 B8R1.4 CC1CC(O)CCO1 SPC-g891 [0,1,0,1,0,0|0,0,0]=2 312 B8R1.4 CC1CNCC(C)N1 SPC-k259 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.4 CN1CCC[C@@H](O)C1 SPC-j194 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.4 CN1CCC[C@H](O)C1 SPC-j195 [0,1,0,1,0,0|1,0,0]=3 315 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,1,0,1,0,0|0,0,2]=4 316 B8R1.4 C[C@@H]1CN(C)CCN1 SPC-s054 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 SPC-h032 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.4 C[C@@H]1C[C@H](O)CCN1 SPC-m097 [0,1,0,1,0,0|0,0,0]=2 319 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,1,0,1,0,0|0,0,2]=4 320 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,1,0,1,0,0|0,0,2]=4 321 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,1,0,1,0,0|0,0,2]=4 322 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,1,0,1,0,0|0,0,2]=4 323 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [0,1,0,1,0,0|0,0,2]=4 324 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SPC-g004 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.4 C[C@H]1CNC[C@H](C)N1 SPC-n727 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.4 C[C@H]1CNC[C@H](C)O1 SPC-k818 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.4 C[C@H]1COC[C@@H](C)N1 SPC-p942 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.4 C[C@H]1C[C@@H](O)CCN1 SPC-u060 [0,1,0,1,0,0|0,0,0]=2 329 B8R1.4 NC1COCC(O)C1 SPC-t029 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.4 N[C@H]1CCC[C@@H](N)C1 SPC-q760 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.4 N[C@H]1CCC[C@H](F)C1 SPC-u860 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.4 N[C@H]1CCC[C@H](N)C1 SPC-n678 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.4 N[C@H]1CCC[C@H](O)C1 SPC-n635 [0,1,0,1,0,0|1,0,0]=3 334 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [0,1,0,1,0,0|1,0,1]=4 335 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,1,0,1,0,0|1,0,1]=4 336 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.31 CN1CC[C@@H]1C(=O)O SPC-i181 [0,1,0,1,0,0|1,0,1]=4 338 B8R1.31 CN1CC[C@H]1C(=O)O SPC-p175 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O SPC-p138 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O SPC-v548 [0,1,0,1,0,0|1,0,1]=4 341 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O SPC-i928 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.31 N[C@H]1CC[C@H]1C(=O)O SPC-i929 [0,1,0,1,0,0|1,0,1]=4 343 B8R1.34 O=C(O)CC1CCC1 SPC-a096 [0,1,0,1,0,0|0,0,1]=3 344 B8R1.34 O=C(O)CC1CNC1 SPC-h769 [0,1,0,1,0,0|1,0,1]=4 345 B8R1.34 O=C(O)CC1COC1 SPC-a018 [0,1,0,1,0,0|1,0,1]=4 346 B8R1.43 NCC1CC1C(=O)O SPC-v399 [0,1,0,1,0,0|1,0,1]=4 347 B8R1.51 CC1(C)C[C@H](O)CN1 SPC-r279 [0,1,0,1,0,0|1,0,0]=3 348 B8R1.51 N[C@@H]1CCC(F)(F)C1 SPC-n652 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.51 N[C@H]1CCC(F)(F)C1 SPC-k769 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.51 N[C@H]1CCC(F)(F)C1 SPC-q507 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.51 O[C@H]1CCC(F)(F)C1 SPC-n083 [0,1,0,1,0,0|1,0,0]=3 352 B8R1.53 CC1(C)CC(CBr)C1 SPC-i233 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.53 CC1(C)CC(CN)C1 SPC-i127 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.53 CC1(C)CC(CO)C1 SPC-i522 [0,1,0,1,0,0|2,0,0]=4 355 B8R1.53 CC1(O)CC(CN)C1 SPC-u218 [0,1,0,1,0,0|1,0,0]=3 356 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 SPC-w124 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.53 C[C@]1(O)C[C@H](CN)C1 SPC-w123 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.53 FC1(F)CC(CBr)C1 SPC-h981 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.53 FC1(F)CC(CCl)C1 SPC-u429 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.53 FC1(F)CC(CI)C1 SPC-m888 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.53 NCC1CC(F)(F)C1 SPC-a130 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.53 OCC1CC(F)(F)C1 SPC-a127 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.62 NC1(CO)CC(F)C1 SPC-i932 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.2 BrCC1CCNCC1 SPC-j960 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.2 BrCC1CCOCC1 SPC-g566 [0,1,0,1,0,0|0,0,0]=2 366 B8R1.2 BrC[C@H]1CCCOC1 SPC-h690 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.2 C#CC1CCNCC1 SPC-i535 [0,1,0,1,0,0|1,0,1]=4 368 B8R1.2 C#CC1CCOCC1 SPC-h622 [0,1,0,1,0,0|0,0,1]=3 369 B8R1.2 C#CC1CCSCC1 SPC-t009 [0,1,0,1,0,0|0,1,1]=4 370 B8R1.2 CNC1CCNCC1 SPC-q226 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.2 CNC1CCOCC1 SPC-j064 [0,1,0,1,0,0|0,0,0]=2 372 B8R1.2 COC1CCNCC1 SPC-g777 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.2 COC1CCNCC1 SPC-n150 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.2 CO[C@@H]1CCCNC1 SPC-r030 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.2 CO[C@H]1CCCNC1 SPC-h111 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.2 CO[C@H]1CCCNC1 SPC-j189 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.2 CSC1CCNCC1 SPC-g968 [0,1,0,1,0,0|1,0,0]=3 378 B8R1.2 ClCC1CCNCC1 SPC-s961 [0,1,0,1,0,0|1,0,0]=3 379 B8R1.2 FCC1CCNCC1 SPC-n102 [0,1,0,1,0,0|1,0,0]=3 380 B8R1.2 ICC1CCOCC1 SPC-g906 [0,1,0,1,0,0|0,0,0]=2 381 B8R1.2 N#CC1CCNCC1 SPC-j199 [0,1,0,1,0,0|1,0,1]=4 382 B8R1.2 N#CC1CCOCC1 SPC-g531 [0,1,0,1,0,0|0,0,1]=3 383 B8R1.2 N#CC1CCSCC1 SPC-n629 [0,1,0,1,0,0|0,1,1]=4 384 B8R1.2 NCC1CCOCC1 SPC-g253 [0,1,0,1,0,0|0,0,0]=2 385 B8R1.2 NCC1CCSCC1 SPC-j796 [0,1,0,1,0,0|0,1,0]=3 386 B8R1.2 NCC1CCSCC1 SPC-t703 [0,1,0,1,0,0|0,1,0]=3 387 B8R1.2 NC[C@@H]1CCCOC1 SPC-n840 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.2 NC[C@@H]1COCCO1 SPC-m446 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.2 NC[C@H]1CCCOC1 SPC-n838 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.2 NC[C@H]1CCCOC1 SPC-r352 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.2 NC[C@H]1COCCO1 SPC-i566 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.2 NNC1CCOCC1 SPC-m554 [0,1,0,1,0,0|1,0,0]=3 393 B8R1.2 NN[C@H]1CCCOC1 SPC-t975 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.2 OCC1CCNCC1 SPC-g261 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.2 OCC1CCOCC1 SPC-g300 [0,1,0,1,0,0|0,0,0]=2 396 B8R1.2 OC[C@@H]1CCCCO1 SPC-v087 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.2 OC[C@@H]1CCCNC1 SPC-v455 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.2 OC[C@@H]1CCCOC1 SPC-v644 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.2 OC[C@@H]1CNCCO1 SPC-q930 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.2 OC[C@@H]1COCCO1 SPC-u546 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.2 OC[C@H]1CCCCO1 SPC-s718 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.2 OC[C@H]1CCCCO1 SPC-v058 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.2 OC[C@H]1CCCOC1 SPC-h333 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.2 OC[C@H]1CCCOC1 SPC-u991 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.2 OC[C@H]1CNCCO1 SPC-q931 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.2 OC[C@H]1COCCN1 SPC-n823 [0,1,0,1,0,0|1,0,0]=3 407 B8R1.3 CN1CCC(N)CC1 SPC-j190 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [0,1,0,1,0,0|0,0,2]=4 409 B8R1.3 C[C@H]1CC[C@@H](O)CN1 SPC-u032 [0,1,0,1,0,0|0,0,0]=2 410 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SPC-g837 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SPC-k248 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.3 O=C1CCC(F)CC1 SPC-u525 [0,1,0,1,0,0|1,0,1]=4 413 B8R1.3 O[C@H]1CC[C@@H](O)CC1 SPC-n343 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.3 O[C@H]1CC[C@H](O)CC1 SPC-n631 [0,1,0,1,0,0|1,0,0]=3 415 B8R1.5 CC1CCNCC1O SPC-p589 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.5 CC1CNCCC1O SPC-m644 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.5 C[C@@H]1CCCN[C@@H]1C SPC-u259 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.5 C[C@@H]1CCNC[C@H]1O SPC-q479 [0,1,0,1,0,0|1,0,0]=3 419 B8R1.5 C[C@@H]1CNCCN1C SPC-j879 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.5 C[C@@H]1CNCCN1C SPC-r024 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.5 C[C@H]1CCNC[C@H]1O SPC-p949 [0,1,0,1,0,0|1,0,0]=3 422 B8R1.5 C[C@H]1CNCCN1C SPC-k695 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.5 C[C@H]1CNCCN1C SPC-m797 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.5 C[C@H]1COCCC1=O SPC-p410 [0,1,0,1,0,0|1,0,1]=4 425 B8R1.5 F[C@H]1CCNC[C@H]1F SPC-t847 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.5 N[C@@H]1CCCC[C@H]1F SPC-v023 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.5 N[C@@H]1CCCC[C@H]1N SPC-k252 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.5 N[C@@H]1CCCC[C@H]1O SPC-t809 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.5 N[C@@H]1CCOC[C@@H]1F SPC-h024 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.5 N[C@@H]1CCOC[C@@H]1F SPC-s058 [0,1,0,1,0,0|1,0,0]=3 431 B8R1.5 N[C@@H]1CCOC[C@@H]1O SPC-i900 [0,1,0,1,0,0|1,0,0]=3 432 B8R1.5 N[C@@H]1CCOC[C@H]1F SPC-m647 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.5 N[C@@H]1CCOC[C@H]1F SPC-u621 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.5 N[C@@H]1CCOC[C@H]1O SPC-m006 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.5 N[C@@H]1CCOC[C@H]1O SPC-m655 [0,1,0,1,0,0|1,0,0]=3 436 B8R1.5 N[C@@H]1COCC[C@@H]1O SPC-p945 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.5 N[C@@H]1COCC[C@H]1O SPC-h523 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.5 N[C@@H]1COCC[C@H]1O SPC-t948 [0,1,0,1,0,0|1,0,0]=3 439 B8R1.5 N[C@H]1CCOC[C@@H]1F SPC-k063 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.5 N[C@H]1CCOC[C@@H]1F SPC-q529 [0,1,0,1,0,0|1,0,0]=3 441 B8R1.5 N[C@H]1CCOC[C@@H]1O SPC-m654 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.5 N[C@H]1CCOC[C@H]1O SPC-n772 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.5 N[C@H]1COCC[C@@H]1O SPC-h590 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.5 O=C1CCOC[C@@H]1Br SPC-h143 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.5 O=C1CCOC[C@@H]1F SPC-p380 [0,1,0,1,0,0|1,0,1]=4 446 B8R1.5 OC1CCOCC1F SPC-n060 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.5 O[C@@H]1CCNC[C@H]1O SPC-q472 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.5 O[C@@H]1CCNC[C@H]1O SPC-r059 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.5 O[C@@H]1CCOC[C@@H]1F SPC-s067 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.5 O[C@H]1CCNC[C@@H]1F SPC-m667 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.5 O[C@H]1CCNC[C@H]1F SPC-s060 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.5 O[C@H]1CCOC[C@@H]1F SPC-u964 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.5 O[C@H]1CCOC[C@H]1F SPC-r349 [0,1,0,1,0,0|1,0,0]=3 454 B8R1.5 O[C@H]1CCOC[C@H]1F SPC-s059 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.5 O[C@H]1CNCC[C@@H]1F SPC-q484 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.5 O[C@H]1CNCC[C@H]1O SPC-j905 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.10 NCCNC1COC1 SPC-a297 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.10 OCCCC1CNC1 SPC-a313 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.22 C[C@H]1CCNCCN1 SPC-n217 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.22 F[C@H]1CCCNCC1 SPC-p568 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.38 CC(CO)C1CCO1 SPC-s810 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.38 NC[C@H](N)C1COC1 SPC-a047 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.38 O=C(CBr)C1CCC1 SPC-t926 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.47 CCN1CC(CN)C1 SPC-u779 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.47 CO[C@H]1C[C@@H](CN)C1 SPC-q755 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.52 C#C[C@]1(O)CCOC1 SPC-m229 [0,1,0,1,0,0|0,0,2]=4 467 B8R1.52 C[C@@]1(CO)CCCN1 SPC-m261 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.52 C[C@]1(CN)CCCO1 SPC-s725 [0,1,0,1,0,0|1,0,0]=3 469 B8R1.52 C[C@]1(CN)CCOC1 SPC-h504 [0,1,0,1,0,0|1,0,0]=3 470 B8R1.52 C[C@]1(CO)CCCN1 SPC-m267 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.52 NCC1(F)CCCC1 SPC-s642 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.52 NCC1(O)CCCC1 SPC-n897 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.52 NCC1(O)CCCC1 SPC-s734 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.52 N[C@@]1(CO)CCOC1 SPC-h719 [0,1,0,1,0,0|1,0,0]=3 475 B8R1.52 OC[C@]1(O)CCNC1 SPC-p278 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.52 O[C@@]1(CF)CCNC1 SPC-j825 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.7 CC(C)[C@@H]1CCCN1 SPC-k578 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.7 CC(C)[C@@H]1CCNC1 SPC-s685 [0,1,0,1,0,0|1,0,0]=3 479 B8R1.7 CC(C)[C@H]1CCCN1 SPC-k579 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.7 CC(C)[C@H]1CCNC1 SPC-n744 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.7 CC(C)[C@H]1CCNC1 SPC-s896 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.7 CN(C)[C@H]1CCNC1 SPC-j568 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.7 C[C@H](N)C1CCCC1 SPC-s771 [0,1,0,1,0,0|1,0,0]=3 484 B8R1.7 FC(F)[C@H]1CCNC1 SPC-r265 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.7 NC(=O)[C@H]1CCOC1 SPC-m339 [0,1,0,1,0,0|1,0,1]=4 486 B8R1.7 O=C(O)[C@@H]1CCOC1 SPC-h613 [0,1,0,1,0,0|1,0,1]=4 487 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-g501 [0,1,0,1,0,0|1,0,1]=4 488 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-j337 [0,1,0,1,0,0|1,0,1]=4 489 B8R1.19 CC1(C)OCCC1=O SPC-v121 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.23 CC(=O)C1CC(O)C1 SPC-v350 [0,1,0,1,0,0|0,0,1]=3 491 B8R1.23 CC(=O)N1CC(O)C1 SPC-h857 [0,1,0,1,0,0|1,0,1]=4 492 B8R1.23 CC(C)N1CC(N)C1 SPC-h983 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.23 CC(C)N1CC(O)C1 SPC-h354 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.23 CN(C)C1CC(N)C1 SPC-u493 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.23 CN(C)C1CC(O)C1 SPC-p276 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.23 O=C(O)C1CC(O)C1 SPC-p384 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SPC-h918 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SPC-i654 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.24 CC1(C)[C@@H](N)C[C@H]1O SPC-i837 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.37 CCOC(=O)[C@@H]1CO1 SPC-g805 [0,1,0,1,0,0|1,0,1]=4 501 B8R1.78 CC(N)C1(C)COC1 SPC-t133 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [0,1,0,1,0,0|1,0,1]=4 503 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [0,1,0,1,0,0|1,0,1]=4 504 B8R1.6 CCNC1CN(C)C1 SPC-i051 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.6 CCOC1CC(N)C1 SPC-p372 [0,1,0,1,0,0|1,0,0]=3 506 B8R1.6 CN1CC(CCN)C1 SPC-q682 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.6 CN1CC(CCO)C1 SPC-i291 [0,1,0,1,0,0|0,0,0]=2 508 B8R1.6 COCC1CC(N)C1 SPC-s894 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.6 NC1CN(CCO)C1 SPC-t782 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.8 CCN[C@H]1CCOC1 SPC-n465 [0,1,0,1,0,0|0,0,0]=2 511 B8R1.8 CCO[C@@H]1CCNC1 SPC-u486 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.8 CCO[C@H]1CCNC1 SPC-n761 [0,1,0,1,0,0|1,0,0]=3 513 B8R1.8 CNC[C@@H]1CCCN1 SPC-u242 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.8 CNC[C@H]1CCCN1 SPC-u243 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.8 CNC[C@H]1CCOC1 SPC-q183 [0,1,0,1,0,0|0,0,0]=2 516 B8R1.8 COC[C@@H]1CCCN1 SPC-t889 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.8 COC[C@@H]1CCNC1 SPC-m151 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.8 COC[C@H]1CCNC1 SPC-m152 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.8 COC[C@H]1CCNC1 SPC-n031 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.8 COC[C@H]1CCNC1 SPC-p279 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.8 NNCC1CCCC1 SPC-v623 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.8 OCC[C@H]1CCCN1 SPC-u092 [0,1,0,1,0,0|0,0,0]=2 523 B8R1.8 OCC[C@H]1CCNC1 SPC-m119 [0,1,0,1,0,0|0,0,0]=2 524 B8R1.11 CN1CCC[C@@H]1CN SPC-m569 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.11 CN1CCC[C@H]1CN SPC-h913 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.11 CO[C@@H]1CNC[C@@H]1O SPC-u001 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.11 CO[C@@H]1CNC[C@H]1O SPC-i670 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.11 C[C@H]1CNC[C@@H]1CO SPC-u640 [0,1,0,1,0,0|0,0,0]=2 529 B8R1.11 O=C1NCC[C@@H]1CO SPC-k007 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.66 CC1(CCO)COC1 SPC-a031 [0,1,0,1,0,0|0,0,0]=2 531 B8R1.66 CNCC1(C)COC1 SPC-a026 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.66 NC1(CCO)CCC1 SPC-a198 [0,1,0,1,0,0|0,0,0]=2 533 B8R1.66 NC1(CCO)CCC1 SPC-s797 [0,1,0,1,0,0|0,0,0]=2 534 B8R1.66 NC1(CCO)CSC1 SPC-a196 [0,1,0,1,0,0|1,0,0]=3 535 B8R1.66 NCCC1(O)COC1 SPC-a081 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.66 OCCC1(F)COC1 SPC-u372 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.66 OCCC1(O)CNC1 SPC-o017 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.66 OCCC1(O)COC1 SPC-u247 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.48 CC1(C)CO[C@H]1CN SPC-i500 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.48 NC[C@H]1CCC1(F)F SPC-q734 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.72 CC1(N)CCOCC1 SPC-h385 [0,1,0,1,0,0|0,0,0]=2 542 B8R1.72 CC1(N)CCOCC1 SPC-r348 [0,1,0,1,0,0|0,0,0]=2 543 B8R1.72 CC1(O)CCNCC1 SPC-j073 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.72 CC1(O)CCNCC1 SPC-n154 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.72 C[C@]1(O)CCCNC1 SPC-h456 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.72 C[C@]1(O)CCCNC1 SPC-u662 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.72 C[Si]1(C)CCNCC1 SPC-k462 [0,1,0,1,0,0|1,1,0]=4 548 B8R1.72 FC1(F)CCNCC1 SPC-g563 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.82 COC1(CCN)CC1 SPC-v584 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.82 N#CC1(CCO)CC1 SPC-m906 [0,1,0,1,0,0|0,0,1]=3 551 B8R1.82 N#CCC1(CBr)CC1 SPC-s823 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.60 CCC1(CN)COC1 SPC-h799 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.60 CCC1(CO)COC1 SPC-g128 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.60 NCC1(CN)CCC1 SPC-k460 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.60 NCC1(CO)CCC1 SPC-h921 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.60 OCC1(CO)CCC1 SPC-a321 [0,1,0,1,0,0|2,0,0]=4 557 B8R2.22 C1C[C@H]2CNC[C@@H]12 SPC-w302 [0,0,0,2,0,0|1,0,0]=3 558 B8R2.34 C1CC2CC1CN2 SPC-p168 [0,0,0,2,0,0|1,0,0]=3 559 B8R2.34 C1CC2CCC1N2 SPC-m545 [0,0,0,2,0,0|2,0,0]=4 560 B8R2.34 C1CC2CCC1N2 SPC-m546 [0,0,0,2,0,0|2,0,0]=4 561 B8R2.34 C1OC2CNC1C2 SPC-h098 [0,0,0,2,0,0|1,0,0]=3 562 B8R2.34 C1O[C@@H]2CN[C@H]1C2 SPC-g772 [0,0,0,2,0,0|1,0,0]=3 563 B8R2.34 C1O[C@@H]2CN[C@H]1C2 SPC-m215 [0,0,0,2,0,0|1,0,0]=3 564 B8R2.34 C1O[C@H]2CN[C@@H]1C2 SPC-h448 [0,0,0,2,0,0|1,0,0]=3 565 B8R2.55 C1CC2(CC2)CN1 SPC-b075 [0,0,0,2,0,0|1,0,0]=3 566 B8R2.7 NC12CCC(C1)C2 SPC-a816a [0,0,0,2,0,0|1,0,0]=3 567 B8R2.18 NC1CC2CC2C1 SPC-k477 [0,0,0,2,0,0|1,0,0]=3 568 B8R2.18 OC1CC2CC2C1 SPC-u478 [0,0,0,2,0,0|0,0,0]=2 569 B8R2.23 C1CC2CC(C1)N2 SPC-w304 [0,0,0,2,0,0|2,0,0]=4 570 B8R2.23 C1NCC2CC1C2 SPC-a319 [0,0,0,2,0,0|2,0,0]=4 571 B8R2.25 C1CC2OC2CO1 SPC-p310 [0,0,0,2,0,0|1,0,0]=3 572 B8R2.42 C1CC2(CNC2)S1 SPC-b058 [0,0,0,2,0,0|1,1,0]=4 573 B8R2.42 C1CC2(CNC2)S1 SPC-v651 [0,0,0,2,0,0|1,1,0]=4 574 B8R2.31 BrCC12CC(C1)C2 SPC-a771 [0,0,0,2,0,0|2,0,0]=4 575 B8R2.31 NCC12CC(C1)C2 SPC-a949 [0,0,0,2,0,0|2,0,0]=4 576 B8R2.31 NCC12CC(C1)C2 SPC-o061 [0,0,0,2,0,0|2,0,0]=4 577 B8R2.31 OCC12CC(C1)C2 SPC-a828 [0,0,0,2,0,0|2,0,0]=4 578 B8R2.53 O=C1CC2(CC2)C1 SPC-u048 [0,0,0,2,0,0|0,0,2]=4