0 B6R0.1 C=CC(=O)OCC SC-19398 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 CCCC(C)NN SC-38965 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCNC(C)CN SC-29669 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C=C(C)CCI SC-35692 [1,0,0,0,0,0|1,0,1]=3 4 B5R0.1 CC(=O)NCO SC-19774 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 CC(=O)\C=N\O SC-51367 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 CC(C)=CCBr SC-61636 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.1 CNCC(=O)[O-] SC-18610 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 COCC(=O)O SC-22928 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 COCC(C)=O SC-81373 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 COCC(C)=S SC-42217 [1,0,0,0,0,0|1,1,1]=4 11 B5R0.1 CSCC(N)=O SC-27108 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 C\C=C\C(=O)Cl SC-24539 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 C\C=C\[N+](=O)[O-] SC-65946 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 O=C(O)CCF SC-53145 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 BrC\C=C/CBr SC-52925 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 BrC\C=C\CBr SC-77851 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 C=COCCC SC-13613 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 C\C=C/OCC SC-15783 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 NC\C=C\CO SC-22303 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.3 CCC(=N)NO SC-56228 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 CCC(=O)CN SC-94912 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.3 CCC(C)CBr SC-79299 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.3 O=CC(O)CO SC-54496 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.3 C=CC(=O)OCCO SC-18184 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.3 CC\C=C\C(=O)OC SC-62851 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.5 C=C(Br)C(=O)OCC SC-88211 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [0,1,0,0,0,0|0,0,2]=3 28 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [0,1,0,0,0,0|0,0,2]=3 29 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [0,1,0,0,0,0|1,0,2]=4 30 B7R0.5 CCOC(=O)C(N)=O SC-20979 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [0,1,0,0,0,0|0,0,0]=1 32 B7R1.1 N#CC1=CCCC1 SC-50518 [0,0,0,1,0,0|1,0,1]=3 33 B7R1.1 O=CC1=CC=CS1 SC-07484 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.2 CC1=CC(Br)=CS1 SC-65134 [0,0,0,1,0,0|1,1,1]=4 35 B7R1.2 CC1=CN=C(C)S1 SC-17152 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.2 CN1C=C(Br)C=N1 SC-23305 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.3 NC1=CNCC=C1 SC-46309 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.4 BrC1=C(Br)CCC1 SC-19501 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.4 CC1=C(Cl)SC=C1 SC-01084 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.4 CC1=C(N)ON=C1 SC-68140 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.4 CC1=CON=C1N SC-68139 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.4 CC1CCCC1=S SC-42934 [0,0,0,1,0,0|0,1,2]=4 43 B7R1.4 CC1OCCC1=O SC-03396 [0,0,0,1,0,0|1,0,1]=3 44 B7R1.4 CC1SCCC1=S SC-42506 [0,0,0,1,0,0|1,1,1]=4 45 B7R1.4 O=C1CCC=C1Br SC-49478 [0,0,0,1,0,0|1,0,0]=2 46 B4R0.1 C=C(Cl)CCl SC-62204 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.1 C=C(N)OC SC-01201 [2,0,0,0,0,0|2,0,0]=4 48 B4R0.1 C=CC(=O)Cl SC-18188 [2,0,0,0,0,0|1,0,1]=4 49 B4R0.1 C=CC(=O)[O-] SC-80823 [2,0,0,0,0,0|1,0,1]=4 50 B4R0.1 CC(=O)NN SC-16358 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.1 CCC(=N)N SC-39291 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.1 CCN(C)C SC-05626 [2,0,0,0,0,0|1,0,1]=4 53 B4R0.1 COC(=O)[O-] SC-65186 [2,0,0,0,0,0|2,0,0]=4 54 B4R0.1 COC(N)=O SC-46315 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 NCC(=O)O SC-26815 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 O=C(Cl)CCl SC-18214 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.1 O=C(O)CO SC-85771 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.1 O=C([O-])CBr SC-50549 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 O=C([O-])CO SC-89096 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.2 C=CCCBr SC-17888 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.2 C=CCOC SC-62245 [2,0,0,0,0,0|1,0,1]=4 62 B4R0.2 CCCSC SC-88233 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.2 CCNCC SC-25726 [2,0,0,0,0,0|1,0,1]=4 64 B4R0.2 CCOC=N SC-52423 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.2 CC[NH2+]CC SC-20006 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.2 CC(=O)CC(C)=O SC-68118 [1,1,0,0,0,0|0,0,2]=4 67 B6R0.2 CC(=O)[CH-]C(C)=O SC-19438 [1,1,0,0,0,0|0,0,2]=4 68 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.2 [C@@H](C)(N)CC(=O)O SC-26546 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.3 CC(=O)C(=O)CBr SC-66140 [1,1,0,0,0,0|1,0,0]=3 71 B6R0.3 CC(=O)\C(C)=N\O SC-46911 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.3 CCC(=O)C(C)Br SC-52663 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.3 CCC(=O)N(C)C SC-46819 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.3 CCC(C)C(=O)O SC-22738 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.3 CCC(Cl)C(=O)O SC-96228 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.3 CCC(O)C(=O)O SC-88990 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.3 CCN(C)C(=O)Cl SC-18616 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.3 CC[C@@H](Cl)C(=O)O SC-52915 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.4 C=C(C)CCCBr SC-32900 [1,1,0,0,0,0|0,0,1]=3 80 B6R0.4 C=C(C)CCCO SC-14313 [1,1,0,0,0,0|0,0,1]=3 81 B6R0.4 C=CCNC(C)=O SC-48071 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.4 CC(=O)NCCCl SC-49821 [1,1,0,0,0,0|1,0,0]=3 83 B6R0.4 CC(=O)OCCO SC-95931 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.4 CC(C)=CCCO SC-52391 [1,1,0,0,0,0|0,0,1]=3 85 B6R0.4 CCCOC(=O)Cl SC-19101 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.4 NC(=O)CCCO SC-12258 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.4 O=C(Cl)OCCF SC-53156 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.4 O=C(O)CCCBr SC-02994 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.6 COCCCC=O SC-88270 [1,1,0,0,0,0|0,0,2]=4 90 B6R0.6 C\C=C\C=C\CO SC-21408 [1,1,0,0,0,0|0,0,2]=4 91 B8R0.5 CCOC(=O)CC(C)=O SC-18922 [0,2,0,0,0,0|2,0,0]=4 92 B8R0.23 CC(C)CC(=O)C(=O)[O-] SC-19264 [0,2,0,0,0,0|1,0,1]=4 93 B8R0.8 CCCCC(C)C(=O)Cl SC-40559 [0,2,0,0,0,0|0,0,2]=4 94 B8R0.9 CC(C)O\C=C(/Br)C=O SC-31946 [0,2,0,0,0,0|1,0,0]=3 95 B8R0.13 CCC(=O)C(C)(C)C=O SC-30639 [0,2,0,0,0,0|0,0,1]=3 96 B6R1.2 O=C1CCON1 SC-95997 [1,0,0,1,0,0|2,0,0]=4 97 B6R1.2 O=C1CCSC1 SC-00014 [1,0,0,1,0,0|1,0,1]=4 98 B6R1.2 O=C1OCCO1 SC-46725 [1,0,0,1,0,0|2,0,0]=4 99 B6R1.2 S=C1C=CCC1 SC-42975 [1,0,0,1,0,0|0,1,1]=4 100 B6R1.11 CC(=O)C1CO1 SC-70647 [1,0,0,1,0,0|1,0,1]=4 101 B6R1.11 CC(=S)C1CC1 SC-42755 [1,0,0,1,0,0|0,1,1]=4 102 B8R1.1 CC1=CC=C(C=O)O1 SC-05807 [0,1,0,1,0,0|1,0,1]=4 103 B8R1.1 CC1=CC=C(CN)O1 SC-84276 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.1 CC1=CC=C(CN)S1 SC-45624 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.1 CC1=CN=C(C=O)S1 SC-25216 [0,1,0,1,0,0|1,0,1]=4 106 B8R1.1 CC1=CSC(CO)=N1 SC-33969 [0,1,0,1,0,0|1,1,0]=4 107 B8R1.1 CCC1=NC(C)=CN1 SC-15454 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.1 CCC1=NC(C)=CS1 SC-75930 [0,1,0,1,0,0|0,1,0]=3 109 B8R1.4 C[C@H]1CCCC(=O)N1 SC-51761 [0,1,0,1,0,0|0,0,2]=4 110 B8R1.4 O=C1CCNC(=O)N1 SC-76644 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.18 CC1=CC(C)=C(Br)S1 SC-87657 [0,1,0,1,0,0|0,1,1]=4 112 B8R1.18 CC1=CN(C)C(Br)=N1 SC-68737 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.2 BrCC1=CCCCC1 SC-87733 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.2 N#CC1=CCCCO1 SC-27536 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.2 O=CC1=CCCCC1 SC-49393 [0,1,0,1,0,0|0,0,0]=2 116 B8R1.2 O=CC1CCCSC1 SC-57996 [0,1,0,1,0,0|0,0,2]=4 117 B8R1.5 CC1=CC=NNC1=O SC-23959 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.5 CC1CCCNC1=O SC-53234 [0,1,0,1,0,0|0,0,2]=4 119 B8R1.5 CN1CCCCC1=O SC-A3437 [0,1,0,1,0,0|1,0,1]=4 120 B8R1.50 CC1=C(O)CCC1=O SC-66441 [0,1,0,1,0,0|0,0,0]=2 121 B8R1.50 CC1=CSC(C)=C1Br SC-43749 [0,1,0,1,0,0|0,1,1]=4 122 B8R1.50 CC1=CSC(C)=C1O SC-51058 [0,1,0,1,0,0|0,0,2]=4 123 B8R1.50 CN1C(=O)CSC1=S SC-49581 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.50 CN1CCN(C)C1=O SC-06831 [0,1,0,1,0,0|1,0,1]=4 125 B8R1.50 O=C1CCC(=O)C1Cl SC-47843 [0,1,0,1,0,0|1,0,1]=4 126 B8R1.7 CC(=O)C1CCCC1 SC-34558 [0,1,0,1,0,0|0,0,2]=4 127 B8R1.7 CC(=S)C1=CCCS1 SC-42218 [0,1,0,1,0,0|1,1,0]=4 128 B8R1.7 NC(=O)[C@H]1CCCN1 SC-09817 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.7 O=C(Cl)C1=CCCC1 SC-61003 [0,1,0,1,0,0|0,0,0]=2 130 B8R1.7 [C@@H]1(C(N)=O)CCCN1 SC-09818 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.11 C=CN1CCCC1=O SC-18133 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.11 CC1=C(C=O)SC=C1 SC-05511 [0,1,0,1,0,0|1,0,1]=4 133 B8R1.11 CC1=C(CCl)N=CO1 SC-82733 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.11 CC1=C(CO)C=CO1 SC-91684 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.11 CC1=C(CO)OC=N1 SC-49929 [0,1,0,1,0,0|1,0,1]=4 136 B8R1.11 CCN1CCCC1=O SC-17497 [0,1,0,1,0,0|1,0,1]=4 137 B8R1.11 O=C1CCCN1CBr SC-45741 [0,1,0,1,0,0|1,0,1]=4 138 B8R1.11 O=C1CCCN1CCl SC-61208 [0,1,0,1,0,0|1,0,1]=4