0 B5R0.3 C=C(CCl)CCl SPC-g310 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 C=C(CO)CO SPC-g493 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.3 NC[C@@H](F)CO SPC-s654 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 NC[C@H](F)CF SPC-w136 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 NC[C@H](F)CO SPC-s667 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 CC(=O)CN SPC-t886 [1,0,0,0,0,0|1,0,0]=2 6 B4R0.1 NC(=O)CI SPC-s873 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.2 C=CCCO SPC-t137 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.1 CCOC(=O)C#N SPC-g163 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.3 CC(C)C(=O)NN SPC-t733 [0,1,0,0,0,0|3,0,0]=4 10 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [0,0,0,1,0,0|2,0,1]=4 11 B6R1.2 IC1=COCC1 SPC-t718 [0,0,0,1,0,0|2,0,1]=4 12 B6R1.2 I[C@H]1CCOC1 SPC-h290 [0,0,0,1,0,0|2,0,1]=4 13 B6R1.2 I[C@H]1CCOC1 SPC-j336 [0,0,0,1,0,0|2,0,1]=4 14 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [0,0,0,1,0,0|2,0,1]=4 15 B6R1.2 N[C@H]1CCOC1 SPC-g942 [0,0,0,1,0,0|2,0,1]=4 16 B6R1.2 N[C@H]1CCOC1 SPC-g966 [0,0,0,1,0,0|2,0,1]=4 17 B6R1.2 O=C1C=CCC1 SPC-g207 [0,0,0,1,0,0|2,0,1]=4 18 B6R1.2 O=C1CCNC1 SPC-g182 [0,0,0,1,0,0|2,0,0]=3 19 B6R1.2 O=C1CCOC1 SPC-g234 [0,0,0,1,0,0|1,0,0]=2 20 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [0,0,0,1,0,0|1,0,2]=4 21 B6R1.2 O[C@H]1CCOC1 SPC-g096 [0,0,0,1,0,0|1,0,2]=4 22 B6R1.2 O[C@H]1CCOC1 SPC-g256 [0,0,0,1,0,0|1,0,2]=4 23 B6R1.4 CC1OCC1O SPC-r006 [0,0,0,1,0,0|1,0,2]=4 24 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [0,0,0,1,0,0|1,0,0]=2 25 B6R1.4 NC1CCC1O SPC-u019 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [0,0,0,1,0,0|2,0,1]=4 27 B6R1.4 N[C@@H]1CNC1=O SPC-u597 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.4 N[C@H]1CNC1=O SPC-s686 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.6 BrCC1COC1 SPC-i089 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.6 ClCC1COC1 SPC-t682 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.6 ICC1COC1 SPC-i045 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.6 NCC1COC1 SPC-a020 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.6 NCC1COC1 SPC-n824 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.6 OCC1CNC1 SPC-a250 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.6 OCC1CNC1 SPC-j113 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.6 OCC1COC1 SPC-a076 [0,0,0,1,0,0|1,0,1]=3 38 B6R1.6 OCC1CSC1 SPC-i307 [0,0,0,1,0,0|1,1,1]=4 39 B6R1.6 OC[C@@H]1CCN1 SPC-i144 [0,0,0,1,0,0|2,0,1]=4 40 B6R1.6 OC[C@H]1CCN1 SPC-i191 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.6 OC[C@H]1CCN1 SPC-k756 [0,0,0,1,0,0|2,0,1]=4 42 B6R1.6 OC[C@H]1CCO1 SPC-a306 [0,0,0,1,0,0|1,0,2]=4 43 B6R1.7 CC1(CO)CC1 SPC-s643 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.7 C[C@@]1(CO)CO1 SPC-v389 [0,0,0,1,0,0|1,0,1]=3 45 B6R1.7 NC1(CO)CC1 SPC-m032 [0,0,0,1,0,0|2,0,1]=4 46 B6R1.7 NC1(CO)CC1 SPC-n639 [0,0,0,1,0,0|2,0,1]=4 47 B3R0.2 CB(O)O SPC-j988 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.1 C[C@@H](N)CCO SPC-g658 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.1 C[C@H](N)CCO SPC-n760 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.4 CC(C)(F)CO SPC-t593 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.5 CC(C)C(=O)OCCl SPC-n339 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.7 [C-]#[N+]CC(=O)OCC SPC-q003 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.14 CC(C)(C)C(=O)CN SPC-n968 [0,2,0,0,0,0|2,0,0]=4 54 B5R1.2 BrC1COC1 SPC-g331 [1,0,0,1,0,0|1,0,1]=4 55 B5R1.2 ClC1COC1 SPC-s928 [1,0,0,1,0,0|1,0,1]=4 56 B5R1.2 IC1COC1 SPC-a300 [1,0,0,1,0,0|1,0,1]=4 57 B5R1.2 NC1COC1 SPC-a019 [1,0,0,1,0,0|1,0,1]=4 58 B5R1.2 O=C1CCN1 SPC-t120 [1,0,0,1,0,0|2,0,0]=4 59 B5R1.2 O=C1CNC1 SPC-h722 [1,0,0,1,0,0|1,0,0]=3 60 B5R1.2 O=C1CSC1 SPC-a100 [1,0,0,1,0,0|0,1,0]=3 61 B5R1.2 OC1COC1 SPC-a002 [1,0,0,1,0,0|0,0,2]=4 62 B5R1.2 SC1COC1 SPC-h701 [1,0,0,1,0,0|0,1,1]=4 63 B5R1.3 OC[C@H]1CO1 SPC-t630 [1,0,0,1,0,0|0,0,2]=4 64 B5R1.5 CC1(C)CO1 SPC-p106 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.1 OCC1=COC=N1 SPC-k823 [0,1,0,1,0,0|1,0,1]=4 66 B7R1.1 OCC1=NOC=C1 SPC-k850 [0,1,0,1,0,0|1,0,1]=4 67 B7R1.1 OC[C@@H]1CCOC1 SPC-h734 [0,1,0,1,0,0|1,0,1]=4 68 B7R1.1 OC[C@H]1CCOC1 SPC-j339 [0,1,0,1,0,0|1,0,1]=4 69 B7R1.1 OC[C@H]1CCOC1 SPC-n475 [0,1,0,1,0,0|1,0,1]=4 70 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [0,1,0,1,0,0|1,0,0]=3 72 B7R1.2 O=C1CNC(=O)C1 SPC-n497 [0,1,0,1,0,0|1,0,1]=4 73 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.3 C=C1CCOCC1 SPC-m646 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.3 O=C1C=CCOC1 SPC-s270 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.3 O=C1CCCNC1 SPC-q237 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.3 O=C1CCCOC1 SPC-g865 [0,1,0,1,0,0|1,0,0]=3 78 B7R1.3 O=C1CCCSC1 SPC-k221 [0,1,0,1,0,0|1,1,0]=4 79 B7R1.3 O=C1CCOCC1 SPC-g072 [0,1,0,1,0,0|1,0,0]=3 80 B7R1.3 O=C1CCSCC1 SPC-g130 [0,1,0,1,0,0|1,1,0]=4 81 B7R1.3 O=C1CNCCN1 SPC-g151 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.3 O=C1COCCN1 SPC-g147 [0,1,0,1,0,0|1,0,0]=3 83 B7R1.4 N[C@@H]1COC[C@H]1O SPC-s070 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.4 N[C@H]1CCNC1=O SPC-u507 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.4 N[C@H]1COC[C@@H]1O SPC-m803 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.4 N[C@H]1COC[C@H]1O SPC-r345 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.4 N[C@H]1COC[C@H]1O SPC-u832 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.4 O[C@H]1COC[C@H]1O SPC-h743 [0,1,0,1,0,0|0,0,2]=4 90 B7R1.6 OCCC1COC1 SPC-a030 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [0,1,0,1,0,0|1,0,0]=3 92 B7R1.10 OCC1CC(O)C1 SPC-v198 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.25 CC1(CO)COC1 SPC-a028 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.25 C[C@]1(CO)CCO1 SPC-v359 [0,1,0,1,0,0|1,0,1]=4 95 B7R1.25 NC1(CO)COC1 SPC-a048 [0,1,0,1,0,0|1,0,1]=4 96 B7R1.25 OCC1(F)COC1 SPC-a358 [0,1,0,1,0,0|1,0,1]=4 97 B7R1.25 OCC1(O)COC1 SPC-p277 [0,1,0,1,0,0|0,0,2]=4 98 B7R1.17 CC1(C)CCC1=O SPC-s190 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.17 CC1(C)OCC1=O SPC-r001 [0,1,0,1,0,0|1,0,0]=3 100 B7R1.18 C[C@H](O)C1COC1 SPC-u843 [0,1,0,1,0,0|1,0,1]=4