0 B8R0.8 CN(C)C(=O)CCCN MC112306 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.3 C#CCCC(=O)OC MC424002 [1,0,0,0,0,0|1,0,2]=4 2 B7R0.3 CCC(O)CCCO MC116029 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.3 COC(=O)CCC=O MC21172 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.3 COC(=O)CCCBr MC427387 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.3 COC(=O)CCCN MC439309 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.3 COCCC(=O)NN MC111753 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 CC(O)CCCCO MC112436 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CCCCCC(C)O CS21570 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 CN(C)CCCCO CS22813 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 COCCCC(C)N MC112163 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.5 CC(C)C(=O)CC#N MC41933 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.5 CCOC(=O)C(C)C CS11388 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.5 CCOC(=O)C(C)F MC439605 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.5 CCOC(=O)C(C)N CS15404 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.5 CCOC(=O)C(C)N MC436160 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.5 CCOC(=O)C(C)O CS20075 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.5 CCOC(=O)C(F)Br MC41908 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.5 CCOC(=O)C(F)Cl MC41909 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.5 CCOC(=O)C(F)F CS11385 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.5 CNCC(=O)N(C)C MC438152 [1,0,0,0,0,0|2,0,0]=3 22 B9R0.6 CCOC(=O)C(=O)C(C)C MC41914 [0,1,0,0,0,0|1,0,1]=3 23 B9R0.6 CCOC(=O)C(=O)C(C)Cl MC107439 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.42 COC(=O)CC(=O)C(C)C CS11675 [0,1,0,0,0,0|1,0,1]=3 25 B9R0.42 COC(=O)CC(=O)C(C)F MC106085 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.47 C=C(C)C(=O)NCCCN CS11712 [0,1,0,0,0,0|1,0,2]=4 27 B9R0.47 CCCCOC(=O)C(C)N CS15628 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.5 CN1CCCNCC1=O MC100103 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.5 NC1CCCCNC1=O CS15569 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.5 NC1CCCCNC1=O CS15816 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.5 NC1CCCCNC1=O MC425745 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.5 NC1CSCCNC1=O MC100169 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.6 CC(C)C1CNCCO1 CS16451 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.6 CC(C)C1CNCCO1 MC444036 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.6 CC(C)C1CNCCO1 MC444059 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.6 CC(C)C1COCCN1 MC20926 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.6 CC(C)C1COCCN1 MC444041 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.6 CC(C)C1COCCN1 MC444063 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.6 CC(C)C1COCCN1 MC444288 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.6 CC(C)N1CCNCC1 CS19740 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.35 CC(C)N1CCC(N)C1 CS18842 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.40 CC1(C)CCCOC1=O MC112082 [0,0,0,1,0,0|1,0,0]=2 43 B9R1.40 CC1(C)CNCCC1O CS12106 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.40 CC1(C)COCCC1=O CS16380 [0,0,0,1,0,0|1,0,0]=2 45 B9R1.40 O=C1NCCCC1(Br)Br CS18534 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.69 CC1CC(N)CCN1C MC104351 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.69 CC1CN(C)C(=O)CN1 MC104410 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.69 CC1CN(C)C(=O)CN1 MC105415 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.69 CN1CC(N)CCC1=O MC104028 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.69 CN1CC(N)CCC1=O MC444375 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.110 CN(C)C(=O)C1CNC1 MC113079 [0,0,0,1,0,0|2,0,0]=3 52 B9R0.4 CC(C)NC(=O)NCCN MC112535 [0,0,0,0,0,1|2,0,0]=3 53 B6R0.1 CCCC(=O)NN CS22544 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.1 CCNC(=O)NC MC428152 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.1 CCOC(=O)CBr MC41907 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.1 CCOC(=O)CCl MC41910 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.1 CCOC(=O)CN CS15347 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.1 CCOC(=O)CO CS11386 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.1 CNC(=O)CCN MC112263 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.1 CNCC(=O)OC MC438154 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.1 COC(=O)CCBr CS18993 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.1 COC(=O)CCN CS22266 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.4 CC(=O)CCCBr CS10305 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.4 CC(=O)CCCCl CS10334 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.4 CC(=O)NCCCl MC33011 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.4 CC(C)CCC=O MC428026 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.4 CC(C)CCCO MC428025 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.4 CC(C)NCCN MC20461 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 CCCCC(=O)Cl MC40508 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.4 CN(C)CCCBr CS22184 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.4 CN(C)CCCCl CS13505 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.4 CN(C)CCCCl CS14943 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.4 CNCCN(C)C CS11723 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.4 CNCCN(C)C CS15131 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.4 NCCCC(=O)O CS14998 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.4 NCCCC(N)=O MC112262 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.4 O=C(Cl)CCCCl MC40450 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.4 O=C(O)CCCBr CS14053 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.3 CN(C)C(=O)CBr CS14025 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.3 CN(C)C(=O)CN CS21306 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.3 CN(C)C(=O)CN MC116188 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.3 CN(C)C(=O)CN MC437713 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.3 CNC(=O)C(C)N MC436151 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.3 COC(=O)C(C)Br CS14958 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.3 COC(=O)C(C)C MC41931 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.3 COC(=O)C(C)Cl CS15798 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.3 COC(=O)C(C)N CS14901 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.3 COC(=O)C(C)N CS16663 [2,0,0,0,0,0|2,0,0]=4 89 B6R0.3 COC(=O)C(C)N CS22242 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.3 COC(=O)C(C)O MC20343 [2,0,0,0,0,0|2,0,0]=4 91 B8R0.1 C#CCCC(=O)OCC MC424003 [1,1,0,0,0,0|0,0,2]=4 92 B8R0.1 CCOC(=O)CCCO MC111642 [1,1,0,0,0,0|1,0,0]=3 93 B8R0.3 CCCC(N)C(=O)OC MC438026 [1,1,0,0,0,0|1,0,0]=3 94 B8R0.3 CCOC(=O)C(=O)CC CS13439 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.3 COC(=O)C(Br)CCBr MC41887 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.6 CCCCNC(=O)CCl CS11766 [1,1,0,0,0,0|1,0,0]=3 97 B8R0.6 CCCSCC(=O)OC MC434048 [1,1,0,0,0,0|1,0,0]=3 98 B8R0.19 CCC(=O)CC(=O)CC CS22007 [1,1,0,0,0,0|0,0,1]=3 99 B8R0.19 CCC(=O)CC(=O)OC CS18389 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.19 COC(=O)CC(O)CCl CS18252 [1,1,0,0,0,0|2,0,0]=4 101 B8R0.7 CCNCCCN(C)C MC103675 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.28 CC(C)CCCC(C)N MC446672 [1,1,0,0,0,0|0,0,1]=3 103 B8R0.14 CC(C)(C)C(=O)CC#N MC434058 [1,1,0,0,0,0|1,0,1]=4 104 B8R0.14 CCOC(=O)C(C)(C)N CS18617 [1,1,0,0,0,0|1,0,0]=3 105 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [1,1,0,0,0,0|0,0,1]=3 106 B8R0.23 CC(C)OC(=O)C(C)N CS14281 [1,1,0,0,0,0|2,0,0]=4 107 B8R0.23 CC(C)OC(=O)C(C)N MC436161 [1,1,0,0,0,0|2,0,0]=4 108 B8R0.23 CC(C)OC(=O)C(C)N MC439194 [1,1,0,0,0,0|2,0,0]=4 109 B10R0.6 CC(C)NC(=O)NCCCN MC112536 [0,1,0,0,0,1|1,0,0]=3 110 B10R0.28 CC(C)(C)OC(=O)CCCBr CS11971 [0,1,0,0,0,1|1,0,0]=3 111 B10R0.28 CC(C)(C)OC(=O)CCCN CS11452 [0,1,0,0,0,1|1,0,0]=3 112 B10R0.28 CC(C)(C)OC(=O)NCCCl CS12687 [0,1,0,0,0,1|2,0,0]=4 113 B10R0.28 CC(C)(C)OC(=O)NCCN CS10141 [0,1,0,0,0,1|2,0,0]=4 114 B10R0.28 CC(C)(C)OC(=O)NCCN CS15954 [0,1,0,0,0,1|2,0,0]=4 115 B10R0.28 CC(C)(C)OC(=O)NCCO CS10139 [0,1,0,0,0,1|2,0,0]=4 116 B10R0.32 CCOC(=O)C(=O)CC(C)C CS15204 [0,1,0,0,0,1|1,0,1]=4 117 B10R0.19 CCCCC(=O)C(=O)OCC CS11379 [0,2,0,0,0,0|1,0,1]=4 118 B10R0.26 CCOC(=O)CC(=O)C(C)C CS20529 [0,2,0,0,0,0|0,0,1]=3 119 B10R0.42 CC(C)S(=O)(=O)CCCCN MC116557 [0,2,0,0,0,0|1,0,0]=3 120 B8R1.1 NCC1CNC(=O)C1 MC101927 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.1 NCC1CNC(=O)C1 MC105678 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.1 NCC1CNC(=O)C1 MC121239 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.1 O=C1CC(CF)CO1 MC10217 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.1 O=C1CCC(CO)N1 CS13834 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.1 O=C1CCC(CO)N1 CS15562 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.2 BrCC1=CCCCC1 MC103521 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.3 C=C1CCC(=O)CC1 MC106742 [1,0,0,1,0,0|0,0,2]=4 128 B8R1.3 C=C1CCC(C)CC1 MC105701 [1,0,0,1,0,0|1,0,0]=3 129 B8R1.3 CN1CCC(=O)CC1 CS18410 [1,0,0,1,0,0|1,0,0]=3 130 B8R1.3 NC1CCC(=O)CC1 CS22583 [1,0,0,1,0,0|1,0,0]=3 131 B8R1.3 NC1CCC(=O)NC1 MC113024 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.3 NC1CCC(=O)NC1 MC444382 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.3 O=C1CCC(=O)CC1 CS19236 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.3 O=C1CCC(O)CC1 CS22889 [1,0,0,1,0,0|1,0,0]=3 135 B8R1.5 CC1CCNCC1=O MC105562 [1,0,0,1,0,0|1,0,0]=3 136 B8R1.5 CC1CNCCC1=O MC106748 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.5 CC1COCCC1=O MC425868 [1,0,0,1,0,0|1,0,0]=3 138 B8R1.5 CN1CCNCC1=O CS17040 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.5 CN1CCNCC1=O CS18390 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.5 NC1CCCNC1=O MC106744 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.5 O=C1CCCCC1=O CS20486 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.5 O=C1CCNCC1Br MC106749 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.5 O=C1NCCCC1Br CS14644 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.5 O=C1NCCCC1O CS19689 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.5 O=C1OCCCC1O CS16147 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.22 O=C1CCCNCC1 CS19096 [1,0,0,1,0,0|1,0,0]=3 147 B8R1.22 O=C1CCNCCN1 CS18857 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.22 O=C1CCSCCN1 MC121122 [1,0,0,1,0,0|2,0,0]=4 149 B8R1.22 O=S1CCCNCC1 MC100495 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.38 COC(=O)C1CNC1 CS13402 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.38 COC(=O)C1COC1 MC100370 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.50 CC1C(=O)CCC1=O CS21655 [1,0,0,1,0,0|1,0,1]=4 153 B8R1.83 COC(=O)C1CC1Br MC430638 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.4 CC1CC(O)CCN1 MC102122 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.4 CC1CC(O)CCN1 MC102123 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.4 CC1CC(O)CCN1 MC102289 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.4 CC1CC(O)CCO1 MC31218 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.4 CC1CCNC(C)C1 CS21125 [1,0,0,1,0,0|1,0,0]=3 159 B8R1.4 CC1CN(C)CCN1 MC102815 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.4 CC1CNCC(C)C1 CS14191 [1,0,0,1,0,0|1,0,1]=4 161 B8R1.34 CC(C)OC1CNC1 MC10552 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.34 CC(C)OC1CNC1 MC10553 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.72 CC1(C)CCNCC1 CS13819 [1,0,0,1,0,0|1,0,1]=4 164 B8R1.72 CC1(C)CNCCN1 CS18507 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.72 CC1(C)CNCCO1 MC100077 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.72 CC1(C)COCCN1 CS21909 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.18 CN1CC(N)CC1=O MC104828 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.18 CN1CC(O)CC1=O MC111393 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.37 N#CCC(=O)C1CC1 MC20950 [1,0,0,1,0,0|1,0,1]=4 170 B10R1.61 CC(=O)C1CCCCC1=O CS21211 [0,0,0,1,0,1|1,0,1]=4 171 B10R1.120 CC1(C)CC(=O)CCC1O MC110760 [0,0,0,1,0,1|1,0,0]=3 172 B10R1.23 CC(O)C(=O)N1CCCC1 MC41678 [0,1,0,1,0,0|1,0,0]=3 173 B10R1.23 CN(C)C(=O)C1CCCN1 MC438126 [0,1,0,1,0,0|1,0,0]=3 174 B10R1.81 CN(C)C(=O)C1CC(O)C1 MC112046 [0,1,0,1,0,0|1,0,0]=3 175 B10R1.13 CC1CCC(C(C)C)CC1 MC428284 [0,1,0,1,0,0|1,0,1]=4 176 B10R1.83 CC1(C)C(=O)CC1C(=O)O MC103663 [0,1,0,1,0,0|1,0,1]=4 177 B10R1.30 CCN1CC(C)NCC1=O MC31018 [0,1,0,1,0,0|2,0,0]=4 178 B10R1.30 CCN1CC(C)NCC1=O MC31210 [0,1,0,1,0,0|2,0,0]=4 179 B10R1.176 CN1CCC(CN)CC1=O MC444323 [0,1,0,1,0,0|2,0,0]=4 180 B10R1.176 CN1CCC(CO)CC1=O MC112973 [0,1,0,1,0,0|2,0,0]=4 181 B10R1.461 CON(C)C(=O)C1CC1F MC102859 [0,1,0,1,0,0|2,0,0]=4 182 B10R1.461 CON(C)C(=O)C1CC1F MC102860 [0,1,0,1,0,0|2,0,0]=4 183 B10R1.134 COC(=O)CC(=O)C1CC1 CS18976 [0,1,0,1,0,0|1,0,1]=4 184 B10R1.262 CCOC1CC(=O)C1(C)C MC113181 [0,1,0,1,0,0|0,0,0]=2 185 B10R2.178 O=C1CCC2CCC1N2 MC105539 [0,0,0,2,0,0|1,0,0]=3 186 B10R2.178 O=C1NCC2CCC1N2 MC105362 [0,0,0,2,0,0|2,0,0]=4 187 B10R2.15 O=C1CNCCC12CC2 MC104891 [0,0,0,2,0,0|1,0,0]=3