0 B8R1.4 CC1=CC(=CC=C1)F Z104474044 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.4 CC1=CC(=CC=C1)N Z57127904 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.4 CC1=CC(=CC=C1)O Z104473820 [0,0,0,0,0,0|1,0,3]=4 3 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,0,0,0,0,0|1,0,3]=4 4 B8R1.4 CC1=CC(=O)NC=C1 Z1065655286 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.4 CC1=CC(CNC1)C Z1966484556 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.4 CC1=CC=CC(=C1)C Z199056430 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.4 CC1=CC=CC(=N1)C Z104472820 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.4 CC1=CC=CC(=O)N1 Z600389900 [0,0,0,0,0,0|1,0,2]=3 9 B8R1.4 CC1=NC(=CC=C1)Br Z600403652 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.4 CC1=NC(=CC=C1)N Z104476000 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.4 CC1=NC(=CC=N1)Br Z1013760006 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.4 CC1=NC(=CC=N1)Cl Z445153084 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.4 CC1=NC(=N)C=CN1 Z2092177023 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.4 CC1=NC(=O)C=CN1 Z1269638492 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.4 CC1=NC(=O)NC=C1 Z1065584884 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.4 CC1=NC=CC(=C1)[S-] Z3014227847 [0,0,0,0,0,0|2,1,1]=4 17 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,0,0,0,0,0|2,0,2]=4 18 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,0,0,0,0,0|0,0,0]=0 20 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,0,0,0|1,0,2]=3 21 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,0,0,0,0,0|1,0,2]=3 22 B8R1.4 CC1CCN=C(N1)N Z3512513301 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,0,0,0,0,0|2,0,1]=3 25 B8R1.4 CC1CNCC(O1)C Z104472602 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,0,0,0,0,0|2,0,2]=4 27 B8R1.4 C[C@H]1CNC[C@H](O1)C Z1203730781 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.4 NC1=NC=CC(=O)N1 Z801295650 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.4 O=C1C=CN=C(N1)S Z56771015 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.4 O=C1C=CNC(=O)N1 Z56889474 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.4 O=C1C=COC(=C1)O Z1198306031 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.4 O=C1COCC(=O)O1 Z85923414 [0,0,0,0,0,0|2,0,2]=4 34 B7R1.3 CC1=NC=CC=C1 Z104472800 [1,0,0,0,0,0|1,0,2]=4 35 B7R1.3 CC1CNCCO1 Z204013884 [1,0,0,0,0,0|1,0,2]=4 36 B7R1.3 C[N+]1=CC=CC=C1 Z57947843 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.3 NC1C=CCCC1 Z1203579654 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.3 O=C1C=CC=CN1 Z1245646663 [1,0,0,0,0,0|1,0,2]=4 39 B7R1.3 O=C1C=CC=NN1 Z803153778 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.3 O=C1C=CCCC1 Z295197140 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.3 O=C1C=CCCO1 Z1255402681 [1,0,0,0,0,0|0,0,0]=1 42 B7R1.3 O=C1C=COC=C1 Z586248016 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.3 O=C1CCCCC1 Z104474256 [1,0,0,0,0,0|1,0,2]=4 44 B7R1.3 O=C1CCCCN1 Z168817684 [1,0,0,0,0,0|1,0,2]=4 45 B7R1.3 O=C1CCCCO1 Z432085120 [1,0,0,0,0,0|0,0,2]=3 46 B7R1.3 O=C1CCCCS1 Z1726147018 [1,0,0,0,0,0|0,1,2]=4 47 B7R1.3 O=C1CCCNC1 Z3063726909 [1,0,0,0,0,0|2,0,1]=4 48 B7R1.3 O=C1CCCNN1 Z1416174508 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.3 O=C1CCCSC1 Z979714552 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.3 O=C1CNCCN1 Z56968535 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.3 O=C1CSCCN1 Z337709368 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.3 O=C1NCCCN1 Z1203730774 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.3 O=C1NCCCO1 Z1198312172 [1,0,0,0,0,0|1,0,1]=3 54 B7R1.3 O=C1NNCCO1 Z2732442016 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.2 CC1=CC(=CC=C1)C=O Z104478208 [0,1,0,0,0,0|1,0,2]=4 56 B9R1.2 CC1=NC(=CC=C1)C=O Z1079442396 [0,1,0,0,0,0|1,0,2]=4 57 B9R1.2 CC1=NC=CC(=C1)C=O Z1198168755 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [0,1,0,0,0,0|1,0,2]=4 59 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [0,1,0,0,0,0|1,0,2]=4 61 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [0,1,0,0,0,0|1,0,2]=4 63 B9R1.2 O=C1CNC[C@@H](N1)CO Z1203822229 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.2 O=C1CNC[C@H](N1)CO Z1203822228 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.3 CC1=C(C(=O)C=CN1)C Z1203830064 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.3 CC1=C(C(=O)C=CO1)O Z1255382969 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [0,1,0,0,0,0|1,0,2]=4 68 B9R1.3 CC1CCNC(=O)C1N Z1203587127 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.3 CC1CNCC(=O)N1C Z3064472006 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.34 CC1=CC(=CC(=O)O1)O Z104477314 [0,1,0,0,0,0|0,0,2]=3 71 B9R1.34 CC1=CC(=O)C=C(N1)C Z56754506 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.34 CC1=CC(=O)C=C(O1)C Z104477080 [0,1,0,0,0,0|1,0,2]=4 73 B9R1.34 CC1=CC(=S)C=C(O1)C Z1198151368 [0,1,0,0,0,0|1,0,2]=4 74 B9R1.34 CC1=NC(=CC(=O)N1)N Z217102808 [0,1,0,0,0,0|2,0,1]=4 75 B9R1.34 CC1CC(=CC(=O)O1)O Z1255485574 [0,1,0,0,0,0|0,0,0]=1 76 B9R1.34 CC1CC(=O)NC(=O)C1 Z1041181212 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.34 NC1CC(=O)NC(=O)C1 Z2867491050 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.34 O=C1C=C(C=C(O1)Cl)Cl Z1258763548 [0,1,0,0,0,0|1,0,2]=4 79 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.66 CC1(CNCC(=O)N1)C Z2867580462 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.66 CC1(COCC(=O)N1)C Z1198274805 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.69 CC1=C(C=CC(=O)N1)Br Z1251353594 [0,1,0,0,0,0|1,0,2]=4 83 B9R1.69 CC1=CC(=O)C(=CN1)O Z1203733549 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.69 CC1=CC(=O)C(=CO1)O Z1198164652 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.69 CC1=CC(=O)C=CC1=O Z57248271 [0,1,0,0,0,0|1,0,2]=4 86 B9R1.69 CC1=NC=C(C(=O)N1)I Z1695821889 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,1,0,0,0,0|1,0,2]=4 88 B9R1.69 CC1CCC(C(=O)N1)C Z1203817414 [0,1,0,0,0,0|1,0,2]=4 89 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.2 CC(C)NC(=O)CN Z316170536 [0,0,1,0,0,0|2,0,1]=4 91 B7R0.2 CC(C)NC(=O)CO Z431952044 [0,0,1,0,0,0|2,0,1]=4 92 B7R0.2 CC(C)OC(=O)CN Z1245635749 [0,0,1,0,0,0|1,0,1]=3 93 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,1,0,0,0|3,0,0]=4 94 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,1,0,0,0|2,0,1]=4 95 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,0,1,0,0,0|2,0,1]=4 96 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [0,0,1,0,0,0|0,0,2]=3 97 B7R0.4 CC(C)C/C=C/CO Z1813145997 [0,0,1,0,0,0|1,0,2]=4 98 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,0,1,0,0,0|0,0,0]=1 99 B7R0.4 CCCCCC(=O)O Z104503532 [0,0,1,0,0,0|0,0,2]=3 100 B7R0.4 CCCCOC(=O)N Z104476286 [0,0,1,0,0,0|2,0,1]=4 101 B7R0.4 CCCNCC(=O)N Z2211231296 [0,0,1,0,0,0|2,0,1]=4 102 B7R0.4 CCCNCC(=O)O Z744582718 [0,0,1,0,0,0|1,0,1]=3 103 B7R0.4 CCCOCC(=O)O Z406677750 [0,0,1,0,0,0|1,0,1]=3 104 B7R0.4 CCCSCC(=O)C Z447929234 [0,0,1,0,0,0|2,0,1]=4 105 B7R0.4 CCCSCC(=O)O Z228425458 [0,0,1,0,0,0|1,0,1]=3 106 B7R0.4 CCNCCC(=O)O Z1869802098 [0,0,1,0,0,0|1,0,2]=4 107 B7R0.4 CCOCCC(=O)O Z316258938 [0,0,1,0,0,0|1,0,2]=4 108 B7R0.4 CCSCCC(=O)O Z197206046 [0,0,1,0,0,0|1,0,2]=4 109 B7R0.4 CNCCCC(=O)O Z57043473 [0,0,1,0,0,0|1,0,2]=4 110 B7R0.4 COCCCC(=O)O Z316258912 [0,0,1,0,0,0|1,0,2]=4 111 B7R0.4 CSCCCC(=O)O Z54602911 [0,0,1,0,0,0|1,0,2]=4 112 B7R0.4 NCCCCC(=O)O Z271111992 [0,0,1,0,0,0|1,0,2]=4 113 B7R0.4 NCCNCC(=O)O Z2692249907 [0,0,1,0,0,0|2,0,1]=4 114 B7R0.4 NCCOCC(=O)O Z1650039500 [0,0,1,0,0,0|2,0,1]=4 115 B7R0.4 NCCSCC(=O)O Z1381287295 [0,0,1,0,0,0|2,0,1]=4 116 B7R0.4 O=C(O)CCCCBr Z104479696 [0,0,1,0,0,0|1,0,2]=4 117 B7R0.4 O=C(O)CCCCS Z808230828 [0,0,1,0,0,0|1,0,2]=4 118 B7R0.4 O=C(O)CNCCO Z425411352 [0,0,1,0,0,0|2,0,1]=4 119 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,0,1,0,0,0|0,0,0]=1 120 B7R0.7 C=C=CC(=O)OCC Z1255488905 [0,0,1,0,0,0|0,0,2]=3 121 B7R0.7 CCNC(=O)CNC Z594038090 [0,0,1,0,0,0|2,0,1]=4 122 B7R0.7 CCOC(=N)CSC Z4498865780 [0,0,1,0,0,0|2,0,1]=4 123 B7R0.7 CCOC(=O)CC#N Z104473162 [0,0,1,0,0,0|1,0,2]=4 124 B7R0.7 CCOC(=O)CNC Z1262237263 [0,0,1,0,0,0|1,0,1]=3 125 B7R0.7 CCOC(=O)OCC Z104482516 [0,0,1,0,0,0|1,0,1]=3 126 B9R2.21 O=C1CC2CC2CN1 Z2941655402 [0,0,0,1,0,0|2,0,1]=4 127 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [0,0,0,1,0,0|1,0,2]=4 128 B9R2.68 C1=CC2CC(C1)CN2 Z3688945570 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.2 CC1=CC=C(S1)Br Z1255383262 [0,0,0,0,1,0|1,1,1]=4 130 B7R1.2 CC1=CN=C(O1)N Z994267654 [0,0,0,0,1,0|2,0,1]=4 131 B7R1.2 CC1=CSC(=O)N1 Z57055803 [0,0,0,0,1,0|2,0,1]=4 132 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [0,0,0,0,1,0|2,0,1]=4 133 B7R1.2 CC1CC(=O)CN1 Z1509349081 [0,0,0,0,1,0|2,0,1]=4 134 B7R1.2 CC1CC(=O)NN1 Z217165562 [0,0,0,0,1,0|3,0,0]=4 135 B7R1.2 CC1CCC(=O)N1 Z1250132456 [0,0,0,0,1,0|1,0,1]=3 136 B7R1.2 CC1CCC(=O)O1 Z963595138 [0,0,0,0,1,0|0,0,1]=2 137 B7R1.2 CC1CN=C(N1)N Z1642389934 [0,0,0,0,1,0|3,0,0]=4 138 B7R1.2 CC1CN=C(O1)N Z1203579428 [0,0,0,0,1,0|2,0,0]=3 139 B7R1.2 CC1CNC(=N)C1 Z4085233400 [0,0,0,0,1,0|3,0,0]=4 140 B7R1.2 CC1CNC(=O)C1 Z959319678 [0,0,0,0,1,0|2,0,0]=3 141 B7R1.2 CC1CNC(=O)N1 Z1203730895 [0,0,0,0,1,0|2,0,0]=3 142 B7R1.2 CC1CNC(=O)O1 Z1198149952 [0,0,0,0,1,0|1,0,0]=2 143 B7R1.2 CN1C=CC(=N1)O Z1343577415 [0,0,0,0,1,0|2,0,1]=4 144 B7R1.2 CN1C=NC(=O)N1 Z1777885320 [0,0,0,0,1,0|3,0,0]=4 145 B7R1.2 CN1CCC(=O)C1 Z415646350 [0,0,0,0,1,0|2,0,1]=4 146 B7R1.2 CN1CCC(=O)N1 Z1618125551 [0,0,0,0,1,0|2,0,1]=4 147 B7R1.2 NC1CNC(=O)C1 Z1198329759 [0,0,0,0,1,0|3,0,0]=4 148 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [0,0,0,0,1,0|2,0,1]=4 149 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [0,0,0,0,1,0|2,0,1]=4 150 B7R1.2 O=C1CC(CN1)O Z1198157723 [0,0,0,0,1,0|3,0,0]=4 151 B7R1.2 O=C1CCC(=O)O1 Z57127506 [0,0,0,0,1,0|1,0,2]=4 152 B7R1.4 CC1=C(C=CS1)Br Z1201624904 [0,0,0,0,1,0|2,0,1]=4 153 B7R1.4 CC1=CC=NN1C Z826535916 [0,0,0,0,1,0|3,0,0]=4 154 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,0,1,0|0,0,2]=3 155 B7R1.4 CC1CCNC1=O Z1198147219 [0,0,0,0,1,0|1,0,1]=3 156 B7R1.4 CC1NCCC1=O Z2733314209 [0,0,0,0,1,0|1,0,2]=4 157 B7R1.4 CN1C=CNC1=O Z1198329852 [0,0,0,0,1,0|2,0,1]=4 158 B7R1.4 CN1C=COC1=O Z2732441923 [0,0,0,0,1,0|2,0,1]=4 159 B7R1.4 CN1CCCC1=O Z104478382 [0,0,0,0,1,0|1,0,2]=4 160 B7R1.4 CN1CCNC1=O Z336079928 [0,0,0,0,1,0|2,0,1]=4 161 B7R1.4 CN1CNCC1=O Z1601562352 [0,0,0,0,1,0|2,0,1]=4 162 B7R1.4 CN1N=CC=C1N Z415654476 [0,0,0,0,1,0|3,0,0]=4 163 B7R1.4 CN1NC=NC1=O Z1582263737 [0,0,0,0,1,0|3,0,0]=4 164 B7R1.4 CN1SC=CC1=O Z3227502095 [0,0,0,0,1,0|2,0,0]=3 165 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,0,1,0|2,0,1]=4 166 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,0,1,0|2,0,1]=4 167 B7R1.4 NC1CONC1=O Z336087816 [0,0,0,0,1,0|3,0,0]=4 168 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,0,1,0|2,0,1]=4 169 B7R1.4 N[C@@H]1CONC1=O Z1198154206 [0,0,0,0,1,0|3,0,0]=4 170 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,0,1,0|2,0,1]=4 171 B7R1.4 N[C@H]1CONC1=O Z1201618622 [0,0,0,0,1,0|3,0,0]=4 172 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,0,1,0|1,0,2]=4 173 B7R1.4 O=C1NCCC1F Z1203745843 [0,0,0,0,1,0|2,0,1]=4 174 B9R1.48 CC1CC(=O)NCCN1 Z1165350935 [0,0,0,0,0,1|2,0,1]=4 175 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [0,0,0,0,0,1|1,0,2]=4 176 B6R0.1 C#CC(=O)OCC Z104478880 [1,0,1,0,0,0|0,0,2]=4 177 B6R0.1 CCC(=O)COC Z825742020 [1,0,1,0,0,0|1,0,1]=4 178 B6R0.1 CCOC(=N)CC Z3033961910 [1,0,1,0,0,0|1,0,1]=4 179 B6R0.1 CCOC(=O)CN Z594038186 [1,0,1,0,0,0|1,0,1]=4 180 B6R0.1 CCOC(=O)CO Z385458066 [1,0,1,0,0,0|1,0,1]=4 181 B6R0.1 CCOC(=O)NN Z104478458 [1,0,1,0,0,0|2,0,0]=4 182 B6R0.1 CNCC(=O)OC Z89264972 [1,0,1,0,0,0|1,0,1]=4 183 B6R0.2 CC(C)CC(=O)N Z33546511 [1,0,1,0,0,0|2,0,0]=4 184 B6R0.2 CC(C)CC(=O)O Z104474910 [1,0,1,0,0,0|2,0,0]=4 185 B6R0.2 CC(C)NC(=O)N Z56887677 [1,0,1,0,0,0|2,0,0]=4 186 B6R0.4 C=CCCC(C)N Z3681295487 [1,0,1,0,0,0|1,0,1]=4 187 B6R0.4 C=CCNC(C)C Z607822478 [1,0,1,0,0,0|1,0,1]=4 188 B6R0.4 C=COCC(C)C Z916978390 [1,0,1,0,0,0|2,0,0]=4 189 B6R0.4 CC(=O)OCCN Z1973465551 [1,0,1,0,0,0|1,0,1]=4 190 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,0,1,0,0,0|0,0,0]=2 191 B6R0.4 CCC#CC(=O)O Z1205493735 [1,0,1,0,0,0|0,0,2]=4 192 B6R0.4 CCCCC(=O)N Z104476278 [1,0,1,0,0,0|1,0,1]=4 193 B6R0.4 CCCCC(=O)O Z104473312 [1,0,1,0,0,0|0,0,1]=3 194 B6R0.4 CCCNC(=O)C Z33030314 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.4 CCCOC(=O)N Z1198148877 [1,0,1,0,0,0|1,0,1]=4 196 B6R0.4 CCNCC(=O)O Z744593094 [1,0,1,0,0,0|1,0,1]=4 197 B6R0.4 CCOCC(=O)O Z104495232 [1,0,1,0,0,0|1,0,1]=4 198 B6R0.4 COCCC(=O)O Z285184634 [1,0,1,0,0,0|1,0,1]=4 199 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,0,1,0,0,0|1,0,0]=3 200 B6R0.4 CSCCC(=O)O Z54719251 [1,0,1,0,0,0|1,0,1]=4 201 B6R0.4 NC(=O)OCCO Z1198158440 [1,0,1,0,0,0|2,0,0]=4 202 B6R0.4 NCCCC(=O)O Z104475620 [1,0,1,0,0,0|1,0,1]=4 203 B6R0.4 NCCOC(=O)N Z1587257433 [1,0,1,0,0,0|2,0,0]=4 204 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,0,1,0,0,0|1,0,0]=3 205 B6R0.4 O=C(O)CCCS Z147642510 [1,0,1,0,0,0|1,0,1]=4 206 B6R0.6 C=C/C=C/CCN Z2786180930 [1,0,1,0,0,0|2,0,0]=4 207 B6R0.6 O=CCCCC=O Z57127529 [1,0,1,0,0,0|2,0,0]=4 208 B6R1.1 C1=CCCCC1 Z104474726 [2,0,0,0,0,0|1,0,1]=4 209 B6R1.1 C1=CCNCC1 Z1623864216 [2,0,0,0,0,0|1,0,1]=4 210 B6R1.1 C1=CCONC1 Z1486018651 [2,0,0,0,0,0|1,0,1]=4 211 B8R0.5 CC(C)OC(=O)CCN Z147652234 [0,1,1,0,0,0|0,0,2]=4 212 B8R0.5 COCC(=O)OC(C)C Z53836826 [0,1,1,0,0,0|0,0,2]=4 213 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,1,1,0,0,0|2,0,0]=4 214 B8R0.23 CC(C)OC(=O)[C@@H](C)N Z1431904013 [0,1,1,0,0,0|0,0,2]=4 215 B8R0.24 C=CC(=O)NC(C)(C)C Z440633548 [0,1,1,0,0,0|1,0,0]=3 216 B8R0.24 CC(C)(C)OC(=O)CCl Z56915921 [0,1,1,0,0,0|1,0,1]=4 217 B8R0.24 CC(C)(C)OC(=O)CN Z1268152400 [0,1,1,0,0,0|1,0,1]=4 218 B8R0.24 CC(C)(C)OC(=O)CO Z431952234 [0,1,1,0,0,0|1,0,1]=4 219 B8R0.24 CNC(=O)OC(C)(C)C Z558479240 [0,1,1,0,0,0|1,0,1]=4 220 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [0,1,1,0,0,0|0,0,2]=4 221 B8R0.6 CCCCCC(=O)NO Z59181978 [0,1,1,0,0,0|0,0,2]=4 222 B8R0.6 CCCCOC(=O)OC Z1238573230 [0,1,1,0,0,0|1,0,1]=4 223 B8R0.6 CCCNCC(=O)OC Z1836338844 [0,1,1,0,0,0|1,0,1]=4 224 B8R0.7 CCCCCCC(=O)O Z104474412 [0,1,1,0,0,0|0,0,2]=4 225 B8R0.7 CCCCOCC(=O)O Z409190912 [0,1,1,0,0,0|0,0,2]=4 226 B8R0.7 CCCCSCC(=O)O Z239951532 [0,1,1,0,0,0|0,0,2]=4 227 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,1,1,0,0,0|0,0,2]=4 228 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,1,1,0,0,0|0,0,2]=4 229 B8R0.7 CCOCCCC(=O)O Z316258950 [0,1,1,0,0,0|0,0,2]=4 230 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,1,1,0,0,0|0,0,2]=4 231 B8R0.7 COCCCCC(=O)O Z362633826 [0,1,1,0,0,0|0,0,2]=4 232 B8R0.7 COCCNCC(=O)O Z1276446903 [0,1,1,0,0,0|1,0,1]=4 233 B8R0.7 COCCOCC(=O)O Z104477918 [0,1,1,0,0,0|1,0,1]=4 234 B8R0.7 COCCSCC(=O)O Z167837764 [0,1,1,0,0,0|1,0,1]=4 235 B8R0.7 CSCCCCC(=O)O Z732206636 [0,1,1,0,0,0|0,0,2]=4 236 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,1,1,0,0,0|1,0,1]=4 237 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,1,1,0,0,0|0,0,2]=4 238 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,1,1,0,0,0|1,0,1]=4 239 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,1,1,0,0,0|0,0,2]=4 240 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,1,1,0,0,0|0,0,2]=4 241 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,1,1,0,0,0|0,0,2]=4 242 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,1,1,0,0,0|0,0,2]=4 243 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,1,1,0,0,0|0,0,2]=4 244 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,1,1,0,0,0|0,0,2]=4 245 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,1,1,0,0,0|0,0,2]=4 246 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,1,1,0,0,0|0,0,2]=4 247 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,1,1,0,0,0|1,0,1]=4 248 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,1,1,0,0,0|1,0,1]=4 249 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,1,1,0,0,0|1,0,1]=4 250 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,1,1,0,0,0|0,0,2]=4 251 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,1,1,0,0,0|1,0,1]=4 252 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,1,1,0,0,0|1,0,1]=4 253 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,1,1,0,0,0|0,0,2]=4 254 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,1,1,0,0,0|1,0,1]=4 255 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,1,1,0,0,0|0,0,2]=4 256 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,1,1,0,0,0|1,0,1]=4 257 B8R0.1 CCCOC(=O)OCC Z2375631176 [0,1,1,0,0,0|0,0,2]=4 258 B8R0.1 CCOC(=O)CCNC Z2240989662 [0,1,1,0,0,0|0,0,2]=4 259 B8R0.1 CCOC(=O)NCCN Z1263820337 [0,1,1,0,0,0|1,0,1]=4 260 B8R0.1 CCOC(=O)NCCO Z31725113 [0,1,1,0,0,0|1,0,1]=4 261 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [0,1,1,0,0,0|1,0,1]=4 262 B8R1.2 COC1CCC=CO1 Z995169098 [1,1,0,0,0,0|0,0,1]=3 263 B8R1.2 NCC1=COCCO1 Z425641798 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.2 O=CC1=CCCCC1 Z1190318865 [1,1,0,0,0,0|1,0,1]=4 265 B8R1.2 O=CC1=COCCC1 Z432415080 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.2 O=CC1=COCCO1 Z1198154290 [1,1,0,0,0,0|1,0,0]=3 267 B8R1.2 O=CC1CCC=CO1 Z600389890 [1,1,0,0,0,0|0,0,2]=4 268 B8R1.2 OCC1=COCCO1 Z1101443027 [1,1,0,0,0,0|1,0,1]=4 269 B8R1.2 OCC1CC=CCC1 Z104476102 [1,1,0,0,0,0|1,0,1]=4 270 B8R1.5 C[C@@H]1CC=CC[C@H]1N Z2935743479 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.5 O=C1CCCCC1=O Z90122041 [1,1,0,0,0,0|1,0,1]=4 272 B8R1.5 O=C1OC=CC=C1O Z1198156687 [1,1,0,0,0,0|0,0,2]=4 273 B8R1.72 CC1(CC=CCC1)N Z2286631083 [1,1,0,0,0,0|1,0,1]=4 274 B8R1.72 CC1(CC=CCN1)C Z4198556901 [1,1,0,0,0,0|1,0,1]=4 275 B8R1.1 CC1=CC=C(N1)C=O Z1198176668 [0,1,0,0,1,0|1,0,1]=4 276 B8R1.1 CC1=CC=C(O1)C#N Z56963430 [0,1,0,0,1,0|1,0,1]=4 277 B8R1.1 CC1=CC=C(O1)C=O Z56899216 [0,1,0,0,1,0|0,0,1]=3 278 B8R1.1 CC1=CC=C(O1)CO Z335244864 [0,1,0,0,1,0|0,0,2]=4 279 B8R1.1 CC1=CC=C(S1)C=O Z104478048 [0,1,0,0,1,0|0,1,1]=4 280 B8R1.1 CC1=CN=C(O1)C=O Z1198163538 [0,1,0,0,1,0|1,0,1]=4 281 B8R1.1 CC1=NC=C(O1)C=O Z1198169811 [0,1,0,0,1,0|1,0,1]=4 282 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,1,0,0,1,0|1,0,1]=4 283 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,1,0,0,1,0|2,0,0]=4 284 B8R1.1 CN1C=CC(=C1)C=O Z1198160553 [0,1,0,0,1,0|2,0,0]=4 285 B8R1.1 CN1C=CC(=N1)C=O Z1065726004 [0,1,0,0,1,0|2,0,0]=4 286 B8R1.1 COC1CNC(=O)C1 Z1203749511 [0,1,0,0,1,0|2,0,0]=4 287 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,0,1,0|1,0,1]=4 288 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,0,1,0|0,0,1]=3 289 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,1,0,0,1,0|1,0,0]=3 290 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,1,0,0,1,0|2,0,0]=4 291 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,1,0,0,1,0|2,0,0]=4 292 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,1,0,0,1,0|1,0,0]=3 293 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,1,0,0,1,0|1,0,0]=3 294 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,1,0,0,1,0|2,0,0]=4 295 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,0,1,0|1,0,1]=4 296 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,0,1,0|1,0,1]=4 297 B8R1.1 O=C1NCC(O1)CCl Z56346848 [0,1,0,0,1,0|1,0,0]=3 298 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,1,0,0,1,0|2,0,0]=4 299 B8R1.1 O=CC1=CC=C(O1)Br Z57041993 [0,1,0,0,1,0|1,0,1]=4 300 B8R1.1 O=CC1=CC=C(O1)Cl Z57834244 [0,1,0,0,1,0|1,0,1]=4 301 B8R1.1 O=CC1=CC=C(O1)I Z57313911 [0,1,0,0,1,0|1,0,1]=4 302 B8R1.18 CC1=CC(=O)NN1C Z56822474 [0,1,0,0,1,0|2,0,0]=4 303 B8R1.18 CC1CC(=O)NC1=O Z729209272 [0,1,0,0,1,0|2,0,0]=4 304 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,1,0,0,1,0|1,0,1]=4 305 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,1,0,0,1,0|1,0,1]=4 306 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,1,0,0,1,0|0,0,1]=3 307 B8R1.18 CC1NC(=O)NC1=O Z56862247 [0,1,0,0,1,0|2,0,0]=4 308 B8R1.18 CN1NC(=O)C=C1N Z361888728 [0,1,0,0,1,0|2,0,0]=4 309 B8R1.18 CN1OC(=O)C=C1N Z1203586099 [0,1,0,0,1,0|1,0,0]=3 310 B8R1.50 CC1CNC(=O)C1C Z1203745887 [0,1,0,0,1,0|2,0,0]=4 311 B8R1.50 CC1CNC(=O)N1C Z1203733581 [0,1,0,0,1,0|2,0,0]=4 312 B8R1.50 CC1COC(=O)C1N Z3951586277 [0,1,0,0,1,0|2,0,0]=4 313 B8R1.51 CC1(CCC(=O)N1)C Z1198150849 [0,1,0,0,1,0|1,0,1]=4 314 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,1,0,0,1,0|0,0,1]=3 315 B8R1.51 CC1(CNC(=O)O1)C Z1203730984 [0,1,0,0,1,0|1,0,0]=3 316 B8R1.11 CC1=C(C=CO1)C=O Z1079442526 [0,1,0,0,1,0|1,0,1]=4 317 B8R1.11 CC1=C(C=CS1)C=O Z1255365611 [0,1,0,0,1,0|1,0,1]=4 318 B8R1.11 CCC1CCCC1=O Z813018310 [0,1,0,0,1,0|0,0,2]=4 319 B8R1.11 CCC1CCNC1=O Z1203732458 [0,1,0,0,1,0|1,0,1]=4 320 B8R1.11 CN1C=CC=C1C=O Z104485562 [0,1,0,0,1,0|1,0,1]=4 321 B8R1.11 CN1N=CC=C1C=O Z325191230 [0,1,0,0,1,0|2,0,0]=4 322 B8R1.11 O=C1NCCC1CO Z1203746842 [0,1,0,0,1,0|1,0,1]=4 323 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,1,0,0,1,0|0,0,2]=4 324 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,1,0,0,1,0|1,0,1]=4 325 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,1,0,0,1,0|1,0,1]=4 326 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,1,0,0,1,0|1,0,1]=4 327 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,1,0,0,1,0|1,0,1]=4 328 B8R1.19 CC1(COCC1=O)C Z1513611826 [0,1,0,0,1,0|1,0,1]=4 329 B10R1.330 CC1CNC(=O)CC(=O)C1 Z1203745932 [0,1,0,0,0,1|1,0,1]=4 330 B10R1.8 CCC1CC(=O)CC(=O)C1 Z85928366 [0,2,0,0,0,0|1,0,1]=4 331 B10R1.8 CCC1CC(=O)NC(=O)C1 Z1095368879 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.8 COC1=CC(=O)OC(=C1)C Z1255423471 [0,2,0,0,0,0|0,0,2]=4 333 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O Z1269206520 [0,2,0,0,0,0|0,0,2]=4 334 B10R1.22 CC1=CC(=C(C(=O)O1)N)O Z1216836952 [0,2,0,0,0,0|0,0,2]=4 335 B10R1.22 CC1=CC(=C(C(=O)O1)O)O Z4089903129 [0,2,0,0,0,0|0,0,2]=4 336 B10R1.329 CC1(CC(=O)C=C(C1)N)C Z57154079 [0,2,0,0,0,0|1,0,0]=3 337 B10R1.329 CC1(CC(=O)CC(=O)C1)C Z104474686 [0,2,0,0,0,0|1,0,1]=4 338 B10R1.329 CC1(CC(=O)NC(=O)C1)C Z57475062 [0,2,0,0,0,0|2,0,0]=4 339 B8R1.40 C=CC(=O)NC1CC1 Z276666586 [0,0,1,1,0,0|1,0,0]=3 340 B8R1.7 CC(O)C1=CC=CS1 Z335245078 [0,0,1,1,0,0|0,1,1]=4 341 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,0,1,1,0,0|0,0,0]=2 342 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,0,1,1,0,0|1,0,0]=3 343 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,0,1,1,0,0|1,0,0]=3 344 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,0,1,1,0,0|2,0,0]=4 345 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,1,1,0,0|0,0,2]=4 346 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,1,1,0,0|1,0,1]=4 347 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,0,1,1,0,0|1,0,1]=4 348 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,1,1,0,0|1,0,1]=4 349 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,1,1,0,0|1,0,1]=4 350 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,1,1,0,0|1,0,1]=4 351 B8R1.7 OB(O)C1=CCCC1 Z1201621640 [0,0,1,1,0,0|1,0,1]=4 352 B8R1.35 O=C(O)C#CC1CC1 Z1198161308 [0,0,1,1,0,0|0,0,2]=4 353 B8R1.35 O=C(O)CNC1CC1 Z432066928 [0,0,1,1,0,0|1,0,1]=4 354 B8R1.8 CCOC1=NNC=C1 Z1416187675 [0,0,1,1,0,0|2,0,0]=4 355 B8R1.37 CCOC(=O)[C@@H]1CO1 Z1255450225 [0,0,1,1,0,0|1,0,1]=4 356 B8R1.37 CCOC(=O)[C@H]1CO1 Z1255372614 [0,0,1,1,0,0|1,0,1]=4 357 B10R2.61 O=C1OC2CCNC1C2 Z5219768392 [0,0,0,1,0,1|0,0,2]=4 358 B6R0.3 CC(C)C(=O)NN Z56926537 [0,0,1,0,1,0|2,0,0]=4 359 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,1,0,1,0|2,0,0]=4 360 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,1,0,1,0|2,0,0]=4 361 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,1,0,1,0|1,0,1]=4 362 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,1,0,1,0|1,0,1]=4 363 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,1,0,1,0|1,0,1]=4 364 B6R1.2 CC1=CC=CN1 Z594218440 [1,0,0,0,1,0|1,0,1]=4 365 B6R1.2 CC1=CC=CO1 Z104472456 [1,0,0,0,1,0|0,0,1]=3 366 B6R1.2 CC1=CN=CO1 Z1198180653 [1,0,0,0,1,0|1,0,1]=4 367 B6R1.2 CN1C=CC=C1 Z57127895 [1,0,0,0,1,0|1,0,1]=4 368 B6R1.2 CN1C=CC=N1 Z336081430 [1,0,0,0,1,0|2,0,0]=4 369 B6R1.2 NC1=CC=NO1 Z415654518 [1,0,0,0,1,0|2,0,0]=4 370 B6R1.2 NC1=NCCO1 Z336087916 [1,0,0,0,1,0|2,0,0]=4 371 B6R1.2 NC1C=CCC1 Z2679312470 [1,0,0,0,1,0|1,0,1]=4 372 B6R1.2 NC1CC=CC1 Z1416200863 [1,0,0,0,1,0|1,0,1]=4 373 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [1,0,0,0,1,0|1,0,1]=4 374 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,0,1,0|0,0,0]=2 375 B6R1.2 O=C1C=CNN1 Z1198154338 [1,0,0,0,1,0|2,0,0]=4 376 B6R1.2 O=C1C=CSN1 Z1741980421 [1,0,0,0,1,0|2,0,0]=4 377 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,0,1,0|1,0,1]=4 378 B6R1.2 O=C1CCNC1 Z1741976513 [1,0,0,0,1,0|1,0,1]=4 379 B6R1.2 O=C1CCNN1 Z2935001239 [1,0,0,0,1,0|2,0,0]=4 380 B6R1.2 O=C1CCSC1 Z104495638 [1,0,0,0,1,0|1,0,1]=4 381 B6R1.2 O=C1NCCN1 Z104494954 [1,0,0,0,1,0|2,0,0]=4 382 B6R1.2 O=C1NCCO1 Z104474784 [1,0,0,0,1,0|1,0,0]=3 383 B6R1.2 O=C1NCCS1 Z55928860 [1,0,0,0,1,0|1,1,0]=4 384 B6R1.2 O=C1OCCO1 Z1172235744 [1,0,0,0,1,0|1,0,0]=3 385 B6R1.2 OC1C=CCC1 Z1255485846 [1,0,0,0,1,0|0,0,2]=4