0 B7R0.4 CC(=O)CCCCBr AC-77132 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CCO\C=C\C(=O)O AC-28683 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 CNCCCC(=O)O AC-81313 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 CC(=O)CCCBr AC-77239 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.4 CC(=O)CCCCl AC-35279 [1,0,0,0,0,0|1,0,1]=3 5 B6R0.4 CNCCC(C)=O AC-83135 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.4 NCCCC(=O)O AC-22540 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.4 O=C(O)CCCBr AC-34557 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.5 CCOC(=O)\C=C(\C)N AC-76862 [0,1,0,0,0,0|2,0,0]=3 9 B8R0.6 CCCCNC(=O)CCl AC-57945 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.7 NCCCCCC(=O)O AC-22667 [0,1,0,0,0,0|1,0,2]=4 11 B8R0.7 NCCCCCC(=O)O AC-74011 [0,1,0,0,0,0|1,0,2]=4 12 B8R0.7 O=C(O)CCCCCBr AC-80223 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.28 CN(C)C\C=C\C(=O)O AC-71519 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.28 CN(C)C\C=C\C(=O)O AC-77445 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.1 CCN1C=CC(C)=N1 AC-50257 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.1 CCN1CCC(=O)C1 AC-96216 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.4 CC1=NC=CC(=O)N1 AC-31714 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.4 CC1CC(=O)CCO1 AC-40753 [0,0,0,1,0,0|1,0,2]=4 19 B8R1.4 CC1CCOC(=O)C1 AC-96315 [0,0,0,1,0,0|1,0,1]=3 20 B8R1.4 CC1CNCC(=O)N1 AC-41442 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.4 CN1CCCC(=O)C1 AC-84159 [0,0,0,1,0,0|1,0,2]=4 22 B8R1.4 CN1CCOC(=O)C1 AC-91581 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.4 NC1CCNC(=O)C1 AC-24692 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.4 NC1CCNC(=O)C1 AC-80838 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.4 O=C1CC(O)CCN1 AC-65410 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.7 CC(=O)C1=CC=NN1 AC-75614 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.7 CC(=O)C1=CC=NN1 AC-87358 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.7 CC(=O)C1=CC=NN1 AC-93294 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.7 CC(=O)C1=CN=NS1 AC-89607 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.7 CC(=O)C1=CNC=N1 AC-32517 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.7 CC(=O)C1=CNC=N1 AC-81513 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.7 CC(=O)C1=CNN=C1 AC-24214 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.7 CC(=O)C1=CSC=C1 AC-11311 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.7 CC(=O)C1=CSC=N1 AC-75784 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.7 CC(=O)C1=NOC=C1 AC-30091 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.7 NC(=O)C1CCCN1 AC-56570 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.7 NC(=O)C1CCCO1 AC-81426 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.7 NC(=O)[C@@H]1CCCN1 AC-11445 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.7 O=C(O)C1CCCC1 AC-27255 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.7 O=C(O)C1CCCN1 AC-19172 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.7 O=C(O)[C@H]1CCCN1 AC-10596 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.7 O=C(O)[C@H]1CCCO1 AC-10530 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.7 OB(O)C1=CCCC1 AC-73962 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.22 O=C1CCCCNC1 AC-81448 [0,0,0,1,0,0|1,0,1]=3 45 B8R1.34 CC(=O)C=C1CCC1 AC-86489 [0,0,0,1,0,0|0,0,0]=1 46 B8R1.34 O=C(O)CC1CCC1 AC-45159 [0,0,0,1,0,0|1,0,2]=4 47 B8R1.34 O=C(O)CN1CCC1 AC-94294 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.34 O=[N+]([O-])C=C1COC1 AC-40079 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.35 O=C(O)CCC1CC1 AC-45156 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.35 O=C(O)CNC1CC1 AC-94098 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.35 OB(O)\C=C\C1CC1 AC-84281 [0,0,0,1,0,0|2,0,1]=4 52 B7R0.2 COC(=O)\C=C(\C)N AC-76771 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.3 COC(=O)CCCN AC-34788 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.5 CCC[C@H](N)C(=O)O AC-15512 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.7 CCCC(=S)OCC AC-29188 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.6 CCOC(=O)C(Cl)C(C)=O AC-66406 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.34 CCCC(=O)CC(=O)OC AC-61158 [0,2,0,0,0,0|0,0,1]=3 58 B9R0.34 CCOC(=O)CC(=O)CBr AC-28913 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.53 C\C(N)=C\C(=O)OC(C)C AC-13667 [0,2,0,0,0,0|2,0,0]=4 60 B9R0.47 C=C(C)C(=O)NCCCN AC-79558 [0,2,0,0,0,0|2,0,0]=4 61 B9R0.48 CCOC(=O)CNC(C)=O AC-28803 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.48 CCOC(=O)\C=C\C(=O)O AC-19101 [0,2,0,0,0,0|1,0,1]=4 63 B7R1.2 CC1=NN(C)C=C1 AC-28547 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.2 CC1CNC(=O)C1 AC-86644 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.2 CN1C=CC(=O)N1 AC-82045 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.2 CN1CCC(=O)C1 AC-31742 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.2 NC1CCC(=O)C1 AC-82061 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.2 NC1CCC(=O)C1 AC-84406 [1,0,0,1,0,0|1,0,1]=4 69 B7R1.2 NC1CNC(=O)C1 AC-91662 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.2 NC1CNC(=O)C1 AC-92213 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.2 O=C1C=CC(Br)O1 AC-95636 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.2 O=C1CC(O)CN1 AC-45367 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.2 O=C1C[C@H](O)CN1 AC-16846 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 BrC1=CCOCC1 AC-71793 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.3 O=C1C=CCCN1 AC-80994 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.3 O=C1CCNCC1 AC-76761 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.3 O=C1CCOCC1 AC-15730 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.10 O=C1CC(CBr)C1 AC-82042 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.10 O=C1CC(CO)C1 AC-81896 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.12 CC1CC1C(N)=O AC-91394 [1,0,0,1,0,0|1,0,1]=4 81 B7R1.18 NC(=O)C1CCC1 AC-71954 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.18 O=C(O)C1CCC1 AC-11357 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.20 O=C(O)CC1CC1 AC-15568 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.1 CCN1C=CC=N1 AC-50245 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.1 O=CC1=CCCC1 AC-80756 [1,0,0,1,0,0|0,0,0]=2 86 B7R1.1 O=CC1CCCO1 AC-31412 [1,0,0,1,0,0|1,0,1]=4 87 B7R1.4 CC1=CC=NN1C AC-28545 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.4 CC1CCNC1=O AC-80276 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.7 CC1=CC=C(CCN)S1 AC-61042 [0,1,0,1,0,0|0,1,1]=4 90 B9R1.7 CC1=CNC(CCN)=N1 AC-87415 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.7 CC1=NC(CCN)=CN1 AC-87207 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.7 CC1=NC(CCN)=CN1 AC-93083 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.7 CCCC1=NOC(N)=C1 AC-41560 [0,1,0,1,0,0|1,0,1]=4 94 B9R1.7 CCCN1C=CC(I)=N1 AC-86973 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.7 CCC[C@H]1COC(=O)C1 AC-75377 [0,1,0,1,0,0|0,0,2]=4 96 B9R1.7 CCOC1=NOC(C)=C1 AC-95359 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.7 CNCC1=CC(C)=NO1 AC-54224 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.34 CC1CC(=O)CC(=O)C1 AC-81199 [0,1,0,1,0,0|0,0,1]=3 99 B9R1.34 CC1CC(=O)CC(=O)N1 AC-90586 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.34 CC1CC(=O)CC(C)C1 AC-81277 [0,1,0,1,0,0|0,0,2]=4 101 B9R1.41 CC(=O)C1=C(C)C=CN1 AC-82219 [0,1,0,1,0,0|0,0,2]=4 102 B9R1.41 CC(=O)C1=C(C)N=CO1 AC-31290 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.41 CC(=O)C1=C(C)ON=C1 AC-68639 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.41 CC(=O)C1=C(C)SC=N1 AC-82106 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.41 CC(=O)C1=CC=NN1C AC-40801 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.41 CC(=O)C1CCCC1=O AC-85351 [0,1,0,1,0,0|0,0,1]=3 107 B9R1.41 CC(=O)C1CCOC1=O AC-22364 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.66 CC1(C)CCCC(=O)C1 AC-68550 [0,1,0,1,0,0|0,0,2]=4 109 B9R1.66 CC1(O)CCOC(=O)C1 AC-32060 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.137 CC(=O)CC(=O)C1CC1 AC-35054 [0,1,0,1,0,0|0,0,1]=3 111 B9R1.137 C\C(=C\C(=O)O)C1CC1 AC-75599 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.2 CCC1=NC(C)=CN=C1 AC-85539 [0,1,0,1,0,0|1,0,1]=4 113 B9R1.2 O=C1CCCC(CO)C1 AC-84030 [0,1,0,1,0,0|0,0,2]=4 114 B9R1.5 CN1CCCCCC1=O AC-16737 [0,1,0,1,0,0|0,0,2]=4 115 B9R1.11 COC(=O)C1=CCCC1 AC-45375 [0,1,0,1,0,0|0,0,0]=2 116 B9R1.11 COC(=O)C1CCCN1 AC-45325 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.11 COC(=O)[C@@H]1CCCN1 AC-16155 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.11 O=C(CCl)N1CCCC1 AC-42890 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.21 CCC1=CC=C(C=O)O1 AC-58015 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.21 CCC1=CC=C(CC)N1 AC-95569 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.21 CCC1=CC=C(CC)S1 AC-96382 [0,1,0,1,0,0|0,1,1]=4 122 B9R1.21 CCN1C=CC(C=O)=N1 AC-40856 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.50 O=C1CCCCCCN1 AC-81008 [0,1,0,1,0,0|0,0,2]=4 124 B9R1.79 COC(=O)C=C1COC1 AC-40075 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.79 NCC(=O)NC1CCC1 AC-59646 [0,1,0,1,0,0|1,0,1]=4 126 B9R1.6 CC(=O)C1CCCCN1 AC-59637 [0,1,0,1,0,0|0,0,2]=4 127 B9R1.6 CC(=O)C1CCCCN1 AC-75764 [0,1,0,1,0,0|0,0,2]=4 128 B9R1.6 CC(=O)C1CCNCC1 AC-86993 [0,1,0,1,0,0|0,0,2]=4 129 B9R1.6 CC(=O)C1CCOCC1 AC-43054 [0,1,0,1,0,0|0,0,2]=4 130 B9R1.6 CC(=O)C1CNCCO1 AC-90531 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.6 CC(=O)N1CCCCC1 AC-62125 [0,1,0,1,0,0|0,0,2]=4 132 B9R1.6 CC(=O)N1CCNCC1 AC-20141 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.6 O=C(O)C1=CCCCC1 AC-27219 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.6 O=C(O)C1=CCCOC1 AC-40735 [0,1,0,1,0,0|1,0,0]=3 135 B9R1.6 O=C(O)C1=CCNCC1 AC-94498 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.23 CCN1C=C(Br)C(C)=N1 AC-50259 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.23 CCN1C=C(N)C(C)=N1 AC-54385 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.23 CCN1C=C(N)C(C)=N1 AC-75906 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.35 CC(=O)C1=CC=C(C)N1 AC-92815 [0,1,0,1,0,0|0,0,2]=4 140 B9R1.35 CC(=O)C1=CN(C)N=C1 AC-48770 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.35 CC(=O)C1=CN=C(C)O1 AC-95950 [0,1,0,1,0,0|1,0,1]=4 142 B9R1.35 CC(=O)C1=COC(C)=N1 AC-82686 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.35 CC(=O)N1CCC(Br)C1 AC-94637 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.35 CC(=O)N1CCC(N)C1 AC-45636 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.35 CC(=O)N1CCC(N)C1 AC-85189 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.35 CC1=CC=C(C(C)C)O1 AC-87634 [0,1,0,1,0,0|0,0,2]=4 147 B9R1.112 C\C(=C/C1CC1)C(=O)O AC-75555 [0,1,0,1,0,0|1,0,0]=3