0 B5R0.1 C(CCl)C(=N)N AB30465 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C(CO)C(=N)N AB48909 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 C(CO)C(F)F AB76811 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C=C(CCCl)I MB13669 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC#CN(C)C AB76935 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CC(=O)\C=N\O AB00206 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CC(C)N=C=O AB00193 [0,0,0,0,0,0|1,0,3]=4 8 B4R0.1 C(C(=N)N)Cl AB02229 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 C(C(=N)N)O AB12726 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 C(C(=N)N)O AB21804 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 C=C(CBr)I MB13667 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(=N)NN AB09895 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 CC(=O)C=O AB00820 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 CC(=O)NN AB00888 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CC(=O)NO AB01014 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 CCC(=N)N AB07703 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C\C(=N\O)\N AB06530 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.2 C(=C\O)/C#N AB85343 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.2 C=CCCBr AB00123 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.2 C=CCCN AB14698 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.2 C=CCCO AB00288 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.1 CCOC(=N)CCl AB60917 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.1 CCOC(=N)CO AB60920 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.1 COC(=N)CCCl AB61008 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.1 COC(=O)\C=C\N AB31601 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 C\C(=C\OC)\C#N AB65880 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.1 C\C(=N/C)\NC#N AB21063 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.2 B(C=C(C)C)(O)O AB08065 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.2 B(CC(C)C)(O)O AB03722 [0,1,0,0,0,0|1,0,2]=4 31 B6R0.3 CC(C)C(=N)NN AB56371 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.3 CC(C)C(=O)NN PB30560 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.4 CC(=O)\C=C\OC AB00959 [0,1,0,0,0,0|1,0,1]=3 34 B6R0.4 CN(C)CCCBr AB52731 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.5 CC(C)(C)CCI AB29727 [0,1,0,0,0,0|1,0,2]=4 36 B6R1.2 C1C=C(CO1)I AB84905 [0,0,0,1,0,0|1,0,0]=2 37 B6R1.2 C1C=C(N=N1)Br AB68518 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.2 C1C=C(N=N1)Br CB10536 [0,0,0,1,0,0|3,0,0]=4 39 B6R1.2 C1C=C(N=N1)I PB15017 [0,0,0,1,0,0|3,0,0]=4 40 B6R1.2 C1C=C(N=N1)N PB32063 [0,0,0,1,0,0|3,0,0]=4 41 B6R1.2 C1CNCC1=O PB21807 [0,0,0,1,0,0|2,0,1]=4 42 B6R1.2 C1COCC1=O PB17440 [0,0,0,1,0,0|1,0,1]=3 43 B6R1.2 C1COCC1Br PB20333 [0,0,0,1,0,0|1,0,2]=4 44 B6R1.2 C1COCC1I PB14773 [0,0,0,1,0,0|1,0,2]=4 45 B6R1.2 C1COCC1N PB27801 [0,0,0,1,0,0|1,0,2]=4 46 B6R1.2 C1COCC1O PB24525 [0,0,0,1,0,0|1,0,2]=4 47 B6R1.2 C1COC[C@@H]1I PB34863 [0,0,0,1,0,0|1,0,2]=4 48 B6R1.2 C1COC[C@@H]1N PB10514 [0,0,0,1,0,0|1,0,2]=4 49 B6R1.2 C1COC[C@@H]1O PB17096 [0,0,0,1,0,0|1,0,2]=4 50 B6R1.2 C1COC[C@H]1I PB22839 [0,0,0,1,0,0|1,0,2]=4 51 B6R1.2 C1COC[C@H]1N PB18852 [0,0,0,1,0,0|1,0,2]=4 52 B6R1.2 C1COC[C@H]1O PB25950 [0,0,0,1,0,0|1,0,2]=4 53 B6R1.2 C1CONC1=O MB10654 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.2 CC1=CN=CC1 PB12076 [0,0,0,1,0,0|2,0,0]=3 56 B6R1.2 CC1=CN=NC1 AB00390 [0,0,0,1,0,0|2,0,0]=3 57 B6R1.2 CC1=NC=CC1 AB12705 [0,0,0,1,0,0|2,0,1]=4 58 B6R1.2 CC1=NN=NC1 AB70603 [0,0,0,1,0,0|3,0,0]=4 59 B6R1.2 CC1CCCN1 AB44503 [0,0,0,1,0,0|2,0,1]=4 60 B6R1.2 CC1CCNC1 AB41901 [0,0,0,1,0,0|1,0,2]=4 61 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,0,0,1,0,0|2,0,1]=4 62 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,0,0,1,0,0|1,0,2]=4 64 B6R1.2 C[C@H]1CCCN1 AB29489 [0,0,0,1,0,0|2,0,1]=4 65 B6R1.2 C[C@H]1CCNC1 AB29522 [0,0,0,1,0,0|1,0,2]=4 66 B6R1.2 Cc1ccon1 AB01288 [0,0,0,1,0,0|1,0,1]=3 67 B6R1.2 Cc1cocn1 AB63545 [0,0,0,1,0,0|1,0,2]=4 68 B6R1.2 c1c(con1)Br AB11359 [0,0,0,1,0,0|2,0,1]=4 69 B6R1.2 c1c(con1)F AB68759 [0,0,0,1,0,0|2,0,1]=4 70 B6R1.2 c1c(con1)N AB43605 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.2 c1conc1N PB33787 [0,0,0,1,0,0|2,0,1]=4 72 B6R1.2 c1conc1O MB20248 [0,0,0,1,0,0|2,0,1]=4 73 B6R1.3 C1CC1CCN AB23437 [0,0,0,1,0,0|1,0,2]=4 74 B6R1.3 C1CC1CCN PB11093 [0,0,0,1,0,0|1,0,2]=4 75 B6R1.3 C1CC1CCO PB24555 [0,0,0,1,0,0|0,0,2]=3 76 B6R1.3 C1CC1\C=C\Br AB76480 [0,0,0,1,0,0|1,0,2]=4 77 B6R1.5 C1C(CC1=O)Br PB30412 [0,0,0,1,0,0|2,0,1]=4 78 B6R1.5 C1C(CC1=O)F PB36975 [0,0,0,1,0,0|2,0,1]=4 79 B6R1.5 C1C(CC1=O)N PB20766 [0,0,0,1,0,0|2,0,1]=4 80 B6R1.5 C1C(CC1O)N PB17577 [0,0,0,1,0,0|1,0,2]=4 81 B6R1.5 C1[C@@H](C[C@@H]1N)O PB10634 [0,0,0,1,0,0|1,0,2]=4 82 B6R1.5 C1[C@@H](C[C@@H]1N)O PB11282 [0,0,0,1,0,0|1,0,2]=4 83 B6R1.5 C1[C@@H](C[C@@H]1O)F PB37280 [0,0,0,1,0,0|1,0,2]=4 84 B6R1.5 C1[C@@H](C[C@H]1N)O PB14636 [0,0,0,1,0,0|1,0,2]=4 85 B6R1.5 C1[C@@H](C[C@H]1N)O PB19576 [0,0,0,1,0,0|1,0,2]=4 86 B6R1.5 C1[C@@H](C[C@H]1O)F PB27240 [0,0,0,1,0,0|1,0,2]=4 87 B6R1.5 CN1CC(C1)N PB23920 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.5 CN1CC(C1)O PB30133 [0,0,0,1,0,0|1,0,1]=3 89 B3R0.1 C\C=C/I AB73504 [2,0,0,0,0,0|1,0,0]=3 90 B3R0.1 C\C=C\Br AB00109 [2,0,0,0,0,0|1,0,0]=3 91 B3R0.2 C[S+](C)C AB01061 [2,0,0,0,0,0|1,0,0]=3 92 B5R0.3 C=C(CO)CO PB20901 [1,1,0,0,0,0|0,0,1]=3 93 B5R0.3 CCC(=O)C=O AB21438 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.3 COC(=O)CN AB01112 [1,1,0,0,0,0|2,0,0]=4 95 B5R0.3 C[C@@H](CO)NC AB31545 [1,1,0,0,0,0|0,0,1]=3 96 B5R0.4 C[Si](C)(C)CO CB10021 [1,1,0,0,0,0|0,1,0]=3 97 B5R0.5 B(C(C)C)(O)O AB08847 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.5 CC(C)C(=N)N AB07702 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.5 CC(C)C(=S)N AB32169 [1,1,0,0,0,0|0,1,1]=4 100 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [1,1,0,0,0,0|1,0,1]=4 101 B5R0.5 C[C@@H](C(=O)O)N AB02601 [1,1,0,0,0,0|1,0,1]=4 102 B5R0.2 C(\C=C\Cl)ON AB44940 [1,1,0,0,0,0|1,0,0]=3 103 B5R0.2 COCCON MB08235 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.2 C\C(=C/C(=O)OC)\N AB00926 [0,2,0,0,0,0|1,0,1]=4 105 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,2,0,0,0,0|0,0,2]=4 106 B7R0.3 CCO\C=C(/C)\C#N AB77030 [0,2,0,0,0,0|1,0,1]=4 107 B7R0.3 COC(=O)CCCO AB65249 [0,2,0,0,0,0|1,0,1]=4 108 B7R0.3 C[C@H](CO)OCOC AB53701 [0,2,0,0,0,0|1,0,1]=4 109 B7R0.5 CC(C)C(=O)CC#N AB22304 [0,2,0,0,0,0|1,0,1]=4 110 B7R0.5 CC(C)C(CCO)N AB31007 [0,2,0,0,0,0|0,0,2]=4 111 B7R0.10 C\C(=C(\C)/OC)\C#N AB65883 [0,2,0,0,0,0|1,0,1]=4 112 B7R0.16 B(C(=C(C)C)C)(O)O AB25209 [0,2,0,0,0,0|1,0,0]=3 113 B7R0.14 CC(C)(C)C(=O)CN AB29945 [0,2,0,0,0,0|1,0,1]=4 114 B7R0.6 CC(=O)NCC(=O)O AB00351 [0,2,0,0,0,0|2,0,0]=4 115 B5R1.2 C1C(=O)CN1 PB32275 [1,0,0,1,0,0|2,0,0]=4 116 B5R1.2 C1C(=O)CO1 PB20352 [1,0,0,1,0,0|1,0,0]=3 117 B5R1.2 C1C(=O)CS1 PB29880 [1,0,0,1,0,0|1,1,0]=4 118 B5R1.2 C1C(CO1)Br PB32639 [1,0,0,1,0,0|1,0,1]=4 119 B5R1.2 C1C(CO1)Cl PB33445 [1,0,0,1,0,0|1,0,1]=4 120 B5R1.2 C1C(CO1)F AB71732 [1,0,0,1,0,0|1,0,1]=4 121 B5R1.2 C1C(CO1)I PB20276 [1,0,0,1,0,0|1,0,1]=4 122 B5R1.2 C1C(CO1)N MB07029 [1,0,0,1,0,0|1,0,1]=4 123 B5R1.2 C1C(CO1)N PB31297 [1,0,0,1,0,0|1,0,1]=4 124 B5R1.2 C1C(CO1)O PB25111 [1,0,0,1,0,0|1,0,1]=4 125 B5R1.2 C1C(CO1)S PB31940 [1,0,0,1,0,0|1,0,1]=4 126 B5R1.2 CC1CNC1 PB16157 [1,0,0,1,0,0|1,0,1]=4 127 B5R1.3 CNC1CC1 PB16260 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.1 C1C=C(N=N1)CCl AB44943 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.1 C1C=C(N=N1)CN AB59768 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.1 C1C=C(N=N1)CN CB11648 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.1 C1C=C(N=N1)CN PB34098 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.1 C1C=C(N=N1)CO CB12075 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.1 C1C=C(N=N1)CO PB23601 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.1 C1CC=C(C1)CBr PB30182 [0,1,0,1,0,0|1,0,0]=3 135 B7R1.1 C1COCC1CBr PB10518 [0,1,0,1,0,0|0,0,2]=4 136 B7R1.1 C1COCC1CCl MB04735 [0,1,0,1,0,0|0,0,2]=4 137 B7R1.1 C1COCC1CI PB23453 [0,1,0,1,0,0|0,0,2]=4 138 B7R1.1 C1COCC1CN PB10526 [0,1,0,1,0,0|0,0,2]=4 139 B7R1.1 C1COCC1CO PB30586 [0,1,0,1,0,0|0,0,2]=4 140 B7R1.1 C1COC[C@@H]1CN PB15453 [0,1,0,1,0,0|0,0,2]=4 141 B7R1.1 C1COC[C@@H]1CO PB30186 [0,1,0,1,0,0|0,0,2]=4 142 B7R1.1 C1COC[C@H]1CN PB18204 [0,1,0,1,0,0|0,0,2]=4 143 B7R1.1 C1COC[C@H]1CO PB34870 [0,1,0,1,0,0|0,0,2]=4 144 B7R1.1 CCC1=CN=CC1 AB31265 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.1 CNC1CCOC1 PB17482 [0,1,0,1,0,0|0,0,2]=4 146 B7R1.1 CN[C@@H]1CCOC1 PB30485 [0,1,0,1,0,0|0,0,2]=4 147 B7R1.1 CN[C@H]1CCOC1 PB11771 [0,1,0,1,0,0|0,0,2]=4 148 B7R1.1 c1c(con1)CN AB28201 [0,1,0,1,0,0|1,0,1]=4 149 B7R1.1 c1c(con1)CN PB34298 [0,1,0,1,0,0|1,0,1]=4 150 B7R1.1 c1c(con1)CO PB14463 [0,1,0,1,0,0|1,0,1]=4 151 B7R1.1 c1conc1CCl MB04274 [0,1,0,1,0,0|1,0,1]=4 152 B7R1.1 c1conc1CN PB24935 [0,1,0,1,0,0|1,0,1]=4 153 B7R1.1 c1conc1CO PB15902 [0,1,0,1,0,0|1,0,1]=4 154 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,1,0,1,0,0|1,0,1]=4 155 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.2 CN1CCC(C1)O PB32059 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.2 CN1CC[C@H](C1)O PB17320 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.2 Cc1cc(on1)N MB00134 [0,1,0,1,0,0|1,0,1]=4 159 B7R1.2 Cc1cnc(o1)O AB53086 [0,1,0,1,0,0|1,0,1]=4 160 B7R1.2 Cc1cnc(s1)O AB53102 [0,1,0,1,0,0|1,0,1]=4 161 B7R1.3 C1CC(=O)COC1 PB27461 [0,1,0,1,0,0|1,0,1]=4 162 B7R1.3 C1COCC(=O)N1 PB29100 [0,1,0,1,0,0|1,0,1]=4 163 B7R1.3 C1COCC(=S)N1 AB72718 [0,1,0,1,0,0|1,0,1]=4 164 B7R1.3 C1COCC=C1I AB69543 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.3 C1COCCC1=O PB24536 [0,1,0,1,0,0|1,0,1]=4 166 B7R1.3 CC1COCCN1 AB49614 [0,1,0,1,0,0|0,0,2]=4 167 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,1,0,1,0,0|0,0,2]=4 168 B7R1.3 C[C@H]1COCCN1 AB16412 [0,1,0,1,0,0|0,0,2]=4 169 B7R1.4 CC1=C(C=NC1)C PB27606 [0,1,0,1,0,0|1,0,1]=4 170 B7R1.4 CC1=C(N=NC1)Br PB11022 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.4 CC1=C(N=NC1)N AB44283 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.4 CC1=C(N=NC1)N AB72239 [0,1,0,1,0,0|2,0,0]=4 173 B7R1.4 Cc1c(cco1)N AB71442 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.4 Cc1c(cno1)N MB10128 [0,1,0,1,0,0|2,0,0]=4 175 B7R1.4 Cc1c(con1)N MB11367 [0,1,0,1,0,0|1,0,1]=4 176 B7R1.4 Cc1c(ocn1)C AB63543 [0,1,0,1,0,0|1,0,1]=4 177 B7R1.4 Cc1cnoc1N MB11360 [0,1,0,1,0,0|1,0,1]=4 178 B7R1.4 Cc1conc1N MB11363 [0,1,0,1,0,0|1,0,1]=4 179 B7R1.6 C1C(=CC#N)CO1 PB15181 [0,1,0,1,0,0|1,0,1]=4 180 B7R1.6 C1C(CO1)CCO PB15326 [0,1,0,1,0,0|0,0,2]=4 181 B7R1.6 COC=C1COC1 AB76192 [0,1,0,1,0,0|2,0,0]=4 182 B7R1.8 C1CC(=O)C1CO PB37542 [0,1,0,1,0,0|1,0,1]=4 183 B7R1.10 C1C(CC1=O)CO PB17805 [0,1,0,1,0,0|1,0,1]=4 184 B7R1.10 C1C(CC1O)CN PB13605 [0,1,0,1,0,0|0,0,2]=4 185 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB27029 [0,1,0,1,0,0|0,0,2]=4 186 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB35521 [0,1,0,1,0,0|0,0,2]=4 187 B7R1.10 C1[C@@H](C[C@H]1CN)O PB11268 [0,1,0,1,0,0|0,0,2]=4 188 B7R1.10 C1[C@@H](C[C@H]1CN)O PB38808 [0,1,0,1,0,0|0,0,2]=4 189 B7R1.10 CCN1CC(C1)O PB27080 [0,1,0,1,0,0|1,0,1]=4 190 B7R1.10 CNC1CC(C1)O PB36492 [0,1,0,1,0,0|0,0,2]=4 191 B7R1.10 CN[C@H]1C[C@@H](C1)O PB25695 [0,1,0,1,0,0|0,0,2]=4 192 B7R1.10 CN[C@H]1C[C@H](C1)O PB35156 [0,1,0,1,0,0|0,0,2]=4 193 B7R1.22 C1CC1C(=O)CBr AB45693 [0,1,0,1,0,0|1,0,1]=4 194 B7R1.16 CC1(CC(C1)O)N PB38639 [0,1,0,1,0,0|0,0,2]=4 195 B7R1.16 C[C@]1(C[C@@H](C1)O)N PB37848 [0,1,0,1,0,0|0,0,2]=4 196 B7R1.16 C[C@]1(C[C@H](C1)O)N PB36691 [0,1,0,1,0,0|0,0,2]=4 197 B7R1.14 CC1(CCOC1)N PB13539 [0,1,0,1,0,0|0,0,2]=4