0 B6R0.1 CO[C@@H](C)CCO M68623 [1,0,0,0,0,0|2,0,0]=3 1 B6R0.5 C=CCC(C)(C)O M8263 [1,0,0,0,0,0|1,0,1]=3 2 B6R0.5 CC(C)(C)C#CI I1890 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.5 CC(C)(C)CCBr B41571 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.5 CC(C)(F)CCN F62077 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.5 CC(C)(N)CCN M37075 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.5 CC(C)(N)CCO A40444 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.5 CC(C)(O)CCN A61563 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.5 CCC[N+](C)(C)C T43586 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.5 CNCC(C)(C)O M40445 [1,0,0,0,0,0|0,0,2]=3 10 B6R0.5 COCC(C)(C)O M40434 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.5 C[N+](C)(C)CCO H63396 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.8 CC(C)(C#N)CO H38135 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.8 CC(C)(CO)CCl C40423 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.8 CNC(C)(C)CO M40446 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.8 COC(C)(C)CN M6043 [1,0,0,0,0,0|0,0,1]=2 16 B8R1.51 C=C1COC(C)(C)O1 D8451 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.51 CC1(C)C[C@H](O)CN1 D60304 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.72 CC1(C)CCNCC1 D0628 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.72 CC1(C)CNCCN1 D13386 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.72 CC1(C)CNCCO1 D11989 [0,0,0,1,0,0|0,0,2]=3 21 B8R1.72 CC1(C)CNCCO1 D1343 [0,0,0,1,0,0|0,0,2]=3 22 B8R1.72 CC1(C)COCCN1 D24429 [0,0,0,1,0,0|2,0,1]=4 23 B5R0.1 C=CC[C@H](C)O P62507 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.1 CC(C)CNN B40316 [2,0,0,0,0,0|1,0,1]=4 25 B5R0.1 COC[C@@H](C)O M39959 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.1 COC[C@H](C)O M61064 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.1 C[C@H](O)CCO B68917 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.2 CNCCOC M23409 [2,0,0,0,0,0|0,0,2]=4 29 B5R0.2 COCCC#N M39153 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.2 COCCCBr B68335 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.2 COCCCO M69411 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.3 CO[C@@H](C)CN M40313 [2,0,0,0,0,0|0,0,1]=3 33 B5R0.3 CO[C@@H](C)CO M68380 [2,0,0,0,0,0|1,0,0]=3 34 B5R0.3 CO[C@H](C)CN M40312 [2,0,0,0,0,0|0,0,1]=3 35 B5R0.3 CO[C@H](C)CO M68381 [2,0,0,0,0,0|1,0,0]=3 36 B5R0.4 C#CC(C)(C)C D2889 [2,0,0,0,0,0|0,0,2]=4 37 B5R0.4 CC(C)(C)CN D41344 [2,0,0,0,0,0|0,0,1]=3 38 B5R0.4 CC(C)(C)C[Mg+] D31702 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.4 CC(C)(C)NO B41419 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.4 CC(C)(C)ON B40314 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.4 CC(C)(F)CO F64897 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.4 CC(C)(N)CN M25502 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.4 CC(C)(N)CO A68632 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.4 CC(C)(O)CCl C40272 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.4 CC(C)(O)CN A10987 [2,0,0,0,0,0|0,0,1]=3 46 B5R0.4 CC(C)(O)CO M37968 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.4 CC(C)(S)CN A40315 [2,0,0,0,0,0|0,1,1]=4 48 B5R0.4 C[Si](C)(C)CI K39963 [2,0,0,0,0,0|1,1,0]=4 49 B5R0.4 [C-]#[N+]C(C)(C)C I29922 [2,0,0,0,0,0|0,0,0]=2 50 B7R0.12 COC(CCBr)OC B40419 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.12 COCC(OC)OC T40436 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.9 CC(C)(C)CB(O)O N40449 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.14 CC(C)(C)[C@@H](N)CO L32323 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.14 CC(C)(C)[C@H](N)CO L32374 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.18 COC(C)(CBr)OC B40418 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.18 COC(C)(CN)OC D32389 [1,1,0,0,0,0|0,0,1]=3 58 B7R1.1 CO[C@@H]1CCNC1 M0200 [1,0,0,1,0,0|0,0,2]=4 59 B7R1.1 CO[C@@H]1CCNC1 M12251 [1,0,0,1,0,0|0,0,2]=4 60 B7R1.1 CO[C@H]1CCNC1 M1159 [1,0,0,1,0,0|0,0,2]=4 61 B7R1.1 CO[C@H]1CCNC1 M7459 [1,0,0,1,0,0|0,0,2]=4 62 B7R1.3 C[C@@H]1CNCCO1 M15403 [1,0,0,1,0,0|0,0,2]=4 63 B7R1.3 C[C@@H]1CNCCO1 M28760 [1,0,0,1,0,0|0,0,2]=4 64 B7R1.3 C[C@H]1CNCCO1 M15401 [1,0,0,1,0,0|0,0,2]=4 65 B7R1.3 C[C@H]1CNCCO1 M15402 [1,0,0,1,0,0|0,0,2]=4 66 B7R1.3 C[C@H]1CNCCO1 M29509 [1,0,0,1,0,0|0,0,2]=4 67 B7R1.3 C[C@H]1CNCCO1 M41323 [1,0,0,1,0,0|0,0,2]=4 68 B7R1.6 OCC[C@H]1CCO1 X59677 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.10 COC1CC(N)C1 M0320 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.10 CO[C@H]1C[C@@H](N)C1 SB7404 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.10 CO[C@H]1C[C@H](N)C1 SB7405 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.25 COC1(C)CNC1 M0268 [1,0,0,1,0,0|0,0,2]=4 73 B7R1.14 CC1(C)CCNC1 D1149 [1,0,0,1,0,0|0,0,2]=4 74 B7R1.14 CC1(O)CCCC1 M41551 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.14 C[C@@]1(O)CCNC1 M23456 [1,0,0,1,0,0|0,0,2]=4 76 B7R1.14 C[C@]1(O)CCNC1 H0280 [1,0,0,1,0,0|0,0,2]=4 77 B7R1.14 C[C@]1(O)CCNC1 M10113 [1,0,0,1,0,0|0,0,2]=4 78 B7R1.14 C[C@]1(O)CCNC1 M18574 [1,0,0,1,0,0|0,0,2]=4 79 B7R1.14 C[C@]1(O)CCNC1 M59983 [1,0,0,1,0,0|0,0,2]=4 80 B7R1.16 CC1(C)CC(N)C1 D18434 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.16 CC1(C)CC(O)C1 D24163 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.16 C[C@]1(O)C[C@@H](N)C1 SB8010 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.16 C[C@]1(O)C[C@H](N)C1 SB7371 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.23 CC1(C)C[C@@H]1C#N D43322 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.17 CC1(C)CC[C@@H]1O D60329 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.17 CC1(C)OC[C@@H]1N D59836 [1,0,0,1,0,0|0,0,1]=3 87 B9R1.10 CC1(C)OCC(=O)CO1 D25156 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.10 CC1(C)OCC(N)CO1 D38861 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.118 COC1(C)CCNCC1 M46510 [0,1,0,1,0,0|0,0,2]=4 90 B9R1.133 CC1(C)OC[C@@H](CCl)O1 C41528 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.133 CC1(C)OC[C@@H](CN)O1 D67711 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.133 CC1(C)OC[C@@H](CO)O1 D68020 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.133 CC1(C)OC[C@H](CCl)O1 C0538 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.133 CC1(C)OC[C@H](CCl)O1 C67510 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.133 CC1(C)OC[C@H](CI)O1 K41530 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.133 CC1(C)OC[C@H](CN)O1 D43504 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.133 CC1(C)OC[C@H](CN)O1 D63086 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.133 CC1(C)OC[C@H](CO)O1 D41561 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.133 CC1(C)OC[C@H](CO)O1 D69140 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.148 CC1(C)OCC=CCO1 D43808 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.66 CC1(C)C[C@@H](N)CCO1 D22688 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.134 CC1(CCN)OCCO1 M5779 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.175 COC1(CCO)COC1 M60309 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.204 COC1(OC)CCNC1 D14638 [0,1,0,1,0,0|0,0,2]=4 106 B9R1.204 COC1(OC)CCNC1 D29593 [0,1,0,1,0,0|0,0,2]=4 107 B9R2.198 CC12CC(N)(CO1)C2 M60119 [0,0,0,2,0,0|2,0,0]=4 108 B9R2.173 C1CC2(CCO2)CN1 X12068 [0,0,0,2,0,0|0,0,2]=4 109 B9R2.173 C1C[C@@]2(CCO2)CN1 O5948 [0,0,0,2,0,0|0,0,2]=4 110 B9R2.173 C1C[C@@]2(CCO2)CN1 X8445 [0,0,0,2,0,0|0,0,2]=4 111 B9R2.162 COC12CC(N)(C1)C2 M59668 [0,0,0,2,0,0|2,0,0]=4 112 B9R2.174 C1COC2(CC2)CN1 X19638 [0,0,0,2,0,0|0,0,2]=4