0 B8R0.1 CCC#CC(=O)OCC SPC-t629 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.7 [C-]#[N+]CC(=O)OCC SPC-q003 [1,0,0,0,0,0|1,0,1]=3 2 B9R1.2 CCN1CCNC(=O)C1 SPC-t007 [0,0,0,1,0,0|2,0,0]=3 3 B9R1.2 NC[C@H]1CCNC(=O)C1 SPC-j120 [0,0,0,1,0,0|2,0,0]=3 4 B9R1.2 O=C1C[C@@H](CO)CCN1 SPC-j635 [0,0,0,1,0,0|2,0,0]=3 5 B9R1.15 CO[C@H]1COCCC1=O SPC-h609 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.48 C[C@H]1CC(=O)NCCN1 SPC-p861 [0,0,0,1,0,0|3,0,0]=4 7 B9R1.73 CCOC(=O)C1CCC1 SPC-q614 [0,0,0,1,0,0|0,0,0]=1 8 B9R1.73 CCOC(=O)C1CNC1 SPC-g636 [0,0,0,1,0,0|1,0,0]=2 9 B9R1.73 CCOC(=O)[C@@H]1CCO1 SPC-m749 [0,0,0,1,0,0|1,0,0]=2 10 B9R1.75 CCOC(=O)CC1CC1 SPC-q002 [0,0,0,1,0,0|0,0,0]=1 11 B6R0.1 CCOC(=O)C#N SPC-g163 [2,0,0,0,0,0|1,0,1]=4 12 B6R0.4 CC\C=C\C(=O)O SPC-t510 [2,0,0,0,0,0|0,0,2]=4 13 B10R0.32 CCOC(=O)C(=O)CC(C)=O SPC-t641 [0,2,0,0,0,0|0,0,2]=4 14 B8R1.2 BrCC1=CCCCC1 SPC-j295 [1,0,0,1,0,0|2,0,0]=4 15 B8R1.2 BrCC1CCOCC1 SPC-g566 [1,0,0,1,0,0|1,0,1]=4 16 B8R1.2 CNC1CCOCC1 SPC-j064 [1,0,0,1,0,0|1,0,1]=4 17 B8R1.2 ICC1CCOCC1 SPC-g906 [1,0,0,1,0,0|1,0,1]=4 18 B8R1.2 NCC1CCOCC1 SPC-g253 [1,0,0,1,0,0|1,0,1]=4 19 B8R1.2 OCC1CCOCC1 SPC-g300 [1,0,0,1,0,0|1,0,1]=4 20 B8R1.5 C[C@@H]1CCCN[C@@H]1C SPC-u259 [1,0,0,1,0,0|1,0,1]=4 21 B8R1.8 CCN[C@H]1CCOC1 SPC-n465 [1,0,0,1,0,0|1,0,1]=4 22 B8R1.8 CCO[C@@H]1CCNC1 SPC-u486 [1,0,0,1,0,0|1,0,1]=4 23 B8R1.8 CCO[C@H]1CCNC1 SPC-n761 [1,0,0,1,0,0|1,0,1]=4 24 B8R1.8 CNC[C@H]1CCOC1 SPC-q183 [1,0,0,1,0,0|1,0,1]=4 25 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.1 NC[C@H]1COC(=O)N1 SPC-p433 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.1 O=C1CC[C@@H](CO)N1 SPC-g157 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.1 O=C1CC[C@H](CO)N1 SPC-n804 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [1,0,0,1,0,0|0,0,2]=4 34 B8R1.3 C[C@@H]1CNC(=O)CN1 SPC-u069 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.3 C[C@H]1CNC(=O)CN1 SPC-n806 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.3 O=C1CCC(F)CC1 SPC-u525 [1,0,0,1,0,0|1,0,0]=3 41 B8R1.38 COC(=O)C1CNC1 SPC-g203 [1,0,0,1,0,0|1,0,0]=3 42 B8R1.38 COC(=O)C1COC1 SPC-i614 [1,0,0,1,0,0|1,0,0]=3 43 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-h839 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-m118 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.38 COC(=O)[C@H]1CCN1 SPC-h849 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.38 O=C(CBr)C1CCC1 SPC-t926 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.40 COC(=O)CC1CC1 SPC-k723 [1,0,0,1,0,0|0,0,0]=2 48 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.4 C[C@@H]1CNCC(=O)N1 SPC-n811 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [1,0,0,1,0,0|1,0,0]=3 55 B8R1.4 C[C@H]1CNCC(=O)N1 SPC-n812 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.37 CCCC(=O)C1CC1 SPC-u760 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.37 CCOC(=O)[C@@H]1CO1 SPC-g805 [1,0,0,1,0,0|1,0,0]=3 60 B10R1.11 CCOC(=O)[C@H]1CCNC1 SPC-k254 [0,1,0,1,0,0|0,0,0]=2 61 B10R1.11 CCOC(=O)[C@H]1CCNC1 SPC-u410 [0,1,0,1,0,0|0,0,0]=2 62 B10R1.135 CCOC(=O)C1CC1C#N SPC-h586 [0,1,0,1,0,0|0,0,1]=3 63 B10R1.135 CCOC(=O)C1CC1CO SPC-n385 [0,1,0,1,0,0|0,0,0]=2 64 B10R1.137 CCOC(=O)C=C1CCC1 SPC-a266 [0,1,0,1,0,0|0,0,1]=3 65 B10R1.137 CCOC(=O)C=C1COC1 SPC-a009 [0,1,0,1,0,0|0,0,2]=4 66 B10R1.137 CCOC(=O)C=C1CSC1 SPC-a101 [0,1,0,1,0,0|0,0,2]=4 67 B10R1.176 CN1CC[C@H](CN)CC1=O SPC-j121 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.176 CN1CC[C@H](CO)CC1=O SPC-h663 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.182 CON(C)C(=O)C1CCC1 SPC-i723 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.181 CCOC(=O)CC1(N)CC1 SPC-n379 [0,1,0,1,0,0|0,0,0]=2 71 B10R1.140 CCOC(=O)C1CC(=O)C1 SPC-g491 [0,1,0,1,0,0|0,0,1]=3 72 B10R1.140 CCOC(=O)C1CC(Br)C1 SPC-t179 [0,1,0,1,0,0|0,0,0]=2 73 B10R1.140 CCOC(=O)C1CC(O)C1 SPC-m100 [0,1,0,1,0,0|0,0,0]=2 74 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 SPC-i529 [0,1,0,1,0,0|0,0,0]=2 75 B10R1.212 CCOC(=O)[C@@H](Br)C1CC1 SPC-h187 [0,1,0,1,0,0|0,0,0]=2 76 B10R1.401 CCOC(=O)C1(Br)CCC1 SPC-t169 [0,1,0,1,0,0|0,0,0]=2 77 B10R2.62 O=C1CN2CCC1CC2 SPC-g344 [0,0,0,2,0,0|2,0,0]=4 78 B10R2.62 O=C1NC2CCC1CC2 SPC-k958 [0,0,0,2,0,0|2,0,0]=4 79 B10R2.71 O=C1CC2CCC(C1)C2 SPC-j939 [0,0,0,2,0,0|1,0,0]=3 80 B10R2.71 O=C1CC2CCC(C1)N2 SPC-g260 [0,0,0,2,0,0|2,0,0]=4 81 B10R2.71 O=C1CC2CCC(C1)O2 SPC-h399 [0,0,0,2,0,0|2,0,0]=4 82 B10R2.534 O=C1CCCC2(CC2)C1 SPC-q768 [0,0,0,2,0,0|1,0,0]=3 83 B10R2.2 O=C1CC2CNCC2C1 SPC-k053 [0,0,0,2,0,0|2,0,0]=4 84 B10R2.2 O=C1CC2CSCC2C1 SPC-k037 [0,0,0,2,0,0|2,0,0]=4 85 B10R2.32 O=C1NC[C@@H]2CCN[C@H]12 SPC-p956 [0,0,0,2,0,0|2,0,0]=4 86 B10R2.178 O=C1CCC2CCC1N2 SPC-p868 [0,0,0,2,0,0|2,0,0]=4 87 B10R2.15 O=C1CCNCC12CC2 SPC-v070 [0,0,0,2,0,0|2,0,0]=4 88 B10R2.41 O=C1C2CCC1CNC2 SPC-h016 [0,0,0,2,0,0|2,0,0]=4 89 B10R2.42 O=C1OC(=O)C2CCC12 SPC-p417 [0,0,0,2,0,0|1,0,1]=4 90 B10R2.190 O=C1CCCC12CCC2 SPC-b339 [0,0,0,2,0,0|1,0,0]=3 91 B10R2.190 O=C1NCCC12CCC2 SPC-b640 [0,0,0,2,0,0|1,0,0]=3 92 B10R2.190 O=C1NCCC12CNC2 SPC-b351 [0,0,0,2,0,0|2,0,0]=4 93 B10R2.190 O=C1NCCC12CNC2 SPC-i381 [0,0,0,2,0,0|2,0,0]=4 94 B10R2.485 O=C(CC1CC1)C2CC2 SPC-n928 [0,0,0,2,0,0|1,0,0]=3