0 B7R0.3 C#CCCC(=O)OC MC424002 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 C=CCOC(=O)CCl MC428296 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 CCC(O)CCCO MC116029 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.3 COC(=O)CCC=O MC21172 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.3 COC(=O)CCCBr MC427387 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.3 COC(=O)CCCN MC439309 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.3 COC(=O)CN=[N+]=[N-] MC428311 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.3 COCCC(=O)NN MC111753 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.3 CSCCC(N)CO MC437961 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 C#CC(=O)OCC MC434052 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.1 CCC(C)CCBr MC112369 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 CCCC(=O)NN CS22544 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CCCC(C)CBr MC112368 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CCCC(O)CO CS20495 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.1 CCNC(=O)NC MC428152 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 CCOC(=O)CBr MC41907 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CCOC(=O)CCl MC41910 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CCOC(=O)CN CS15347 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 CCOC(=O)CO CS11386 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.1 CCOC(=O)NN CS11383 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 CNC(=O)CC#N CS18404 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.1 CNC(=O)CCN MC112263 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.1 CNCC(=O)OC MC438154 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 COC(=O)CC#N MC428339 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.1 COC(=O)CCBr CS18993 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.1 COC(=O)CCN CS22266 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.1 COCC(=O)NN CS11580 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.1 C\C=C\C(=O)OC MC41953 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.1 O=C(CCl)NCO CS14580 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.4 C#CCCC(=O)Cl MC106035 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.4 C#CCCC(=O)O MC428029 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.4 C#CCCC(N)=O MC106194 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.4 C=CCCC(=O)O CS15216 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.4 CC(=O)CCCBr CS10305 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.4 CC(=O)CCCCl CS10334 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.4 CC(=O)NCCCl MC33011 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.4 CC(C)CCCO MC428025 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.4 CN(C)CCCBr CS22184 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.4 CN(C)CCCCl CS13505 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 CN(C)CCCCl CS14943 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.4 CNCCN(C)C CS11723 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 CNCCN(C)C CS15131 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.4 N#CCCC(=O)O CS22262 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.4 NCCCC(=O)O CS14998 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.4 NCCCC(N)=O MC112262 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.4 O=C(O)CCCBr CS14053 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.6 BrCCCCCBr MC41886 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.6 CCCOCCCl MC428009 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.6 COCCCCBr CS22933 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.6 COCCCCCl MC428014 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.6 FCCCCCBr CS14708 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.6 NCCCCCN CS19074 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.6 OCCCCCCl CS14778 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.6 OCCCCCO CS20549 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.1 C#CCCC(=O)OCC MC424003 [0,1,0,0,0,0|0,0,2]=3 60 B8R0.1 CCCC(C)CCCO MC112367 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.1 CCOC(=O)CCCO MC111642 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.1 CCOC(=O)CN=C=O MC41055 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.1 CCOC(=O)\C=C\CO MC103341 [0,1,0,0,0,0|1,0,2]=4 64 B8R0.3 C#CCC(N)C(=O)OC MC438113 [0,1,0,0,0,0|1,0,2]=4 65 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.3 CCOC(=O)C(=O)CBr CS18430 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,1,0,0,0,0|1,0,1]=3 68 B8R0.3 COC(=O)C(Br)CCBr MC41887 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.6 CCCCCC(O)CCl MC114490 [0,1,0,0,0,0|1,0,2]=4 70 B8R0.6 CCCCNC(=O)CCl CS11766 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.6 CCCSCC(=O)OC MC434048 [0,1,0,0,0,0|1,0,0]=2 72 B8R0.6 OCCCCC(O)CO MC41917 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.8 CN(C)C(=O)CCCN MC112306 [0,1,0,0,0,0|2,0,0]=3 74 B8R0.9 C=CC(=O)OCC(C)O CS21600 [0,1,0,0,0,0|1,0,2]=4 75 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.9 COC(=O)CCS(=O)[O-] CS11954 [0,1,0,0,0,0|3,0,0]=4 78 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,1,0,0,0,0|2,0,1]=4 79 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,1,0,0,0,0|0,0,1]=2 81 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,1,0,0,0,0|1,0,1]=3 82 B8R0.19 COC(=O)CC(=O)CCl MC20592 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.1 CN1CCC(CN)C1 MC104144 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.1 CN1CCC(CN)C1 MC105308 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.1 CN1CCC(CO)C1 MC102370 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.1 CN1CCC(CO)C1 MC102371 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.1 NCC1COC(=O)N1 MC104254 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.2 BrCC1=CCCCC1 MC103521 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.2 BrCC1CCCCC1 CS19887 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.2 CCC1CNCCN1 MC31046 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.2 CCC1CNCCN1 MC31080 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.2 CCC1CNCCO1 MC444035 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.2 CCC1CNCCO1 MC444058 [0,0,0,1,0,0|1,0,2]=4 103 B8R1.2 CCC1CNCCO1 MC444187 [0,0,0,1,0,0|1,0,2]=4 104 B8R1.2 CCC1COCCN1 MC20812 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.2 CCC1COCCN1 MC444040 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.2 CCC1COCCN1 MC444061 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.2 CCC1COCCN1 MC444269 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.2 CCN1CCNCC1 CS20680 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.2 NCC1CCCCC1 MC20908 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.2 NCC1CCCCN1 CS22822 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.2 OCC1CCCCC1 MC20144 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.2 OCC1CCCCN1 CS21780 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,1,0,0|0,0,2]=3 114 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,0,0,1,0,0|1,0,0]=2 115 B8R1.3 CN1CC=C(Br)CC1 MC425142 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,1,0,0|1,0,0]=2 117 B8R1.3 CN1CCC(Cl)CC1 CS18485 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.3 CN1CCC(N)CC1 CS18628 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.3 CN1CCC(O)CC1 CS13491 [0,0,0,1,0,0|1,0,2]=4 120 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,0,0,1,0,0|1,0,0]=2 121 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.3 NC1CCC(N)CC1 CS18629 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.3 NC1CCC(N)CC1 MC20732 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.3 NC1CCC(O)CC1 CS12038 [0,0,0,1,0,0|1,0,2]=4 126 B8R1.3 NC1CCC(O)CC1 CS15381 [0,0,0,1,0,0|1,0,2]=4 127 B8R1.3 NC1CCC(O)CC1 CS18581 [0,0,0,1,0,0|1,0,2]=4 128 B8R1.3 NC1CCC(O)CC1 CS18592 [0,0,0,1,0,0|1,0,2]=4 129 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,1,0,0|1,0,1]=3 130 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,0,0,1,0,0|1,0,0]=2 132 B8R1.3 OC1CCC(O)CC1 CS20531 [0,0,0,1,0,0|1,0,2]=4 133 B8R1.3 OC1CCC(O)CC1 MC103601 [0,0,0,1,0,0|1,0,2]=4 134 B8R1.5 BrC1CCCCC1Br CS20488 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.5 CC1=NCCCN1C MC20695 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.5 CC1CCNCC1=O MC105562 [0,0,0,1,0,0|1,0,0]=2 137 B8R1.5 CC1CCNCC1O MC103744 [0,0,0,1,0,0|1,0,2]=4 138 B8R1.5 CC1CCNCC1O MC103745 [0,0,0,1,0,0|1,0,2]=4 139 B8R1.5 CC1CCNCC1O MC105563 [0,0,0,1,0,0|1,0,2]=4 140 B8R1.5 CC1CCNCC1O MC105564 [0,0,0,1,0,0|1,0,2]=4 141 B8R1.5 CC1CCNCC1O MC444275 [0,0,0,1,0,0|1,0,2]=4 142 B8R1.5 CC1CNCCC1=O MC106748 [0,0,0,1,0,0|1,0,0]=2 143 B8R1.5 CC1CNCCN1C MC444011 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.5 CC1CNCCN1C MC444015 [0,0,0,1,0,0|3,0,0]=4 145 B8R1.5 CC1COCCC1=O MC425868 [0,0,0,1,0,0|1,0,0]=2 146 B8R1.5 CC1COCCC1N MC100869 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.5 CC1COCCC1N MC104730 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.5 CN1CCNCC1=O CS17040 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.5 CN1CCNCC1=O CS18390 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.5 NC1CCCCC1N CS11826 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.5 NC1CCCCC1N CS22821 [0,0,0,1,0,0|2,0,1]=4 152 B8R1.5 NC1CCCCC1O CS12403 [0,0,0,1,0,0|1,0,2]=4 153 B8R1.5 NC1CCCCC1O CS12547 [0,0,0,1,0,0|1,0,2]=4 154 B8R1.5 NC1CCCCC1O CS12548 [0,0,0,1,0,0|1,0,2]=4 155 B8R1.5 NC1CCCCC1O CS14928 [0,0,0,1,0,0|1,0,2]=4 156 B8R1.5 NC1CCCCC1O CS18590 [0,0,0,1,0,0|1,0,2]=4 157 B8R1.5 NC1CCCCC1O MC20710 [0,0,0,1,0,0|1,0,2]=4 158 B8R1.5 NC1CCCCC1O MC20824 [0,0,0,1,0,0|1,0,2]=4 159 B8R1.5 NC1CCCNC1=O MC106744 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.5 O=C1CCCC=C1I MC106097 [0,0,0,1,0,0|1,0,2]=4 161 B8R1.5 O=C1CCCCC1=O CS20486 [0,0,0,1,0,0|1,0,1]=3 162 B8R1.5 O=C1CCNCC1Br MC106749 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.5 O=C1NCCCC1Br CS14644 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.5 O=C1NCCCC1O CS19689 [0,0,0,1,0,0|2,0,0]=3 165 B8R1.5 O=C1OCCCC1O CS16147 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.5 OC1CCCCC1F MC107093 [0,0,0,1,0,0|1,0,2]=4 167 B8R1.5 OC1CCCCC1O CS12029 [0,0,0,1,0,0|1,0,2]=4 168 B8R1.22 FC1CCCNCC1 MC103919 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.22 NC1CCCCNC1 CS18624 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.22 NC1CCCCNC1 MC104803 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.22 NC1CCCCNC1 MC425605 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.38 COC(=O)C1CNC1 CS13402 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.38 COC(=O)C1COC1 MC100370 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,0,0,1,0,0|1,0,2]=4 179 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,0,0,1,0,0|1,0,1]=3 180 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.52 NCC1(O)CCCC1 CS15390 [0,0,0,1,0,0|1,0,2]=4 182 B8R1.52 NCC1(O)CCCC1 MC31148 [0,0,0,1,0,0|1,0,2]=4 183 B8R1.52 OCC1(F)CCCC1 MC443810 [0,0,0,1,0,0|2,0,1]=4 184 B8R1.83 COC(=O)C1CC1Br MC430638 [0,0,0,1,0,0|2,0,0]=3 185 B5R0.1 C=C(C)CCBr CS14513 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|0,0,0]=2 187 B5R0.1 CCC[N+](=O)[O-] MC428297 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|2,0,0]=4 190 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|2,0,0]=4 192 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 194 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.2 BrCCCCBr MC41885 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.2 CCCCCBr CS20657 [2,0,0,0,0,0|1,0,0]=3 200 B5R0.2 CCCC[Zn]Br MC121334 [2,0,0,0,0,0|2,0,0]=4 201 B5R0.2 CCOCCBr CS21396 [2,0,0,0,0,0|2,0,0]=4 202 B5R0.2 CCOCCCl MC428008 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.2 CNCCCO CS14200 [2,0,0,0,0,0|2,0,0]=4 204 B5R0.2 CNCCNC CS15116 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.2 CNCCOC MC427349 [2,0,0,0,0,0|2,0,0]=4 206 B5R0.2 COCCCBr CS20649 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.2 COCCCO CS20039 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.2 COCCOC MC41899 [2,0,0,0,0,0|2,0,0]=4 209 B5R0.2 COCCOC MC445008 [2,0,0,0,0,0|2,0,0]=4 210 B5R0.2 NCCCCBr CS14979 [2,0,0,0,0,0|2,0,0]=4 211 B5R0.2 NCCCCN CS19906 [2,0,0,0,0,0|2,0,0]=4 212 B5R0.3 CNC(=O)CCl MC21094 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.3 CNC(=O)CN MC437710 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.3 COC(=O)CN CS15045 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.3 COC(=O)CO CS19433 [2,0,0,0,0,0|2,0,0]=4 216 B5R0.3 COC(=O)CS MC20578 [2,0,0,0,0,0|2,0,0]=4 217 B5R0.3 O=C(CO)CO CS11245 [2,0,0,0,0,0|2,0,0]=4 218 B7R0.2 CC(C)OC(=O)CO CS11522 [1,1,0,0,0,0|2,0,0]=4 219 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,1,0,0,0,0|0,0,1]=3 220 B7R0.2 CCC(=O)OC(C)=O CS16382 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.2 COC(=O)CC(C)=O MC41927 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.2 COC(=O)CC(C)O CS11584 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.5 CC(C)C(=O)CC#N MC41933 [1,1,0,0,0,0|1,0,1]=4 224 B7R0.5 CCOC(=O)C(C)C CS11388 [1,1,0,0,0,0|1,0,0]=3 225 B7R0.5 CCOC(=O)C(C)F MC439605 [1,1,0,0,0,0|1,0,0]=3 226 B7R0.5 CCOC(=O)C(C)N CS15404 [1,1,0,0,0,0|1,0,0]=3 227 B7R0.5 CCOC(=O)C(C)N MC436160 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.5 CCOC(=O)C(C)O CS20075 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.5 CCOC(=O)C(F)Br MC41908 [1,1,0,0,0,0|2,0,0]=4 230 B7R0.5 CCOC(=O)C(F)Cl MC41909 [1,1,0,0,0,0|2,0,0]=4 231 B7R0.5 CCOC(=O)C(F)F CS11385 [1,1,0,0,0,0|2,0,0]=4 232 B7R0.5 CNCC(=O)N(C)C MC438152 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.7 CC#CC(=O)OCC CS10117 [1,1,0,0,0,0|0,0,2]=4 234 B7R0.7 CCCC(N)CCO CS16692 [1,1,0,0,0,0|1,0,1]=4 235 B7R0.7 CCOC(=O)CC#N MC41911 [1,1,0,0,0,0|1,0,1]=4 236 B7R0.7 CCOC(=O)CCN CS14330 [1,1,0,0,0,0|1,0,0]=3 237 B7R0.7 CCOC(=O)CNC CS17068 [1,1,0,0,0,0|1,0,0]=3 238 B7R0.7 CCOC(=O)CNN CS19987 [1,1,0,0,0,0|2,0,0]=4 239 B7R0.7 CCOC(=O)COC CS11389 [1,1,0,0,0,0|1,0,0]=3 240 B7R0.7 O=C(CCCl)CCCl CS19912 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.10 CCC(Br)C(=O)OC CS14136 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.10 CCC(N)C(=O)OC MC436010 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.10 CNC(C)C(=O)OC MC437898 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.10 COC(=O)C(C)CBr MC428281 [1,1,0,0,0,0|2,0,0]=4 245 B7R0.10 COC(=O)C(F)CO CS17081 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.10 COC(=O)C(N)CCl CS22615 [1,1,0,0,0,0|2,0,0]=4 247 B7R0.10 COC(=O)C(N)CCl MC418493 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.10 COC(=O)C(N)CCl MC436854 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.10 COC(=O)C(N)CO CS16778 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.10 COC(=O)C(N)CO CS16785 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.10 COC(=O)C(N)CO CS22621 [1,1,0,0,0,0|2,0,0]=4 252 B7R0.10 COC(=O)C(N)CS CS13863 [1,1,0,0,0,0|2,0,0]=4 253 B7R0.10 COC(=O)C(N)CS MC110561 [1,1,0,0,0,0|2,0,0]=4 254 B7R0.10 COC(=O)C(O)CO MC429048 [1,1,0,0,0,0|2,0,0]=4 255 B7R0.4 C#CCCCC(=O)O CS14686 [1,1,0,0,0,0|1,0,1]=4 256 B7R0.4 CC#CCOC(C)=O MC434061 [1,1,0,0,0,0|0,0,2]=4 257 B7R0.4 CC(=O)CCCCBr CS10627 [1,1,0,0,0,0|0,0,0]=2 258 B7R0.4 CC(O)CCCCO MC112436 [1,1,0,0,0,0|0,0,2]=4 259 B7R0.4 CCCCCC(C)O CS21570 [1,1,0,0,0,0|0,0,2]=4 260 B7R0.4 CCCOCC(=O)O MC425744 [1,1,0,0,0,0|1,0,0]=3 261 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,1,0,0,0,0|0,0,1]=3 262 B7R0.4 CN(C)CCCCO CS22813 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.4 COCCCC(C)N MC112163 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.4 NCCCCC(=O)O MC428108 [1,1,0,0,0,0|1,0,0]=3 265 B7R0.4 NCCNCC(=O)O MC436179 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.4 O=C(O)CCCCBr MC41866 [1,1,0,0,0,0|1,0,0]=3 267 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.6 CC(=O)CCC(=O)O CS18688 [1,1,0,0,0,0|1,0,1]=4 269 B7R0.6 CC(C)CCC(=O)Cl MC20895 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.6 CC(C)CCC(C)N MC446673 [1,1,0,0,0,0|1,0,1]=4 271 B7R0.6 CC(N)CCC(=O)O MC435302 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.6 CN(C)CCC(=O)O CS12169 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.8 CCCCS(=O)(=O)Cl MC32076 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.8 CCCCS(=O)(=O)F MC32077 [1,1,0,0,0,0|2,0,0]=4 275 B7R0.8 CCCCS(=O)(=O)O MC32078 [1,1,0,0,0,0|2,0,0]=4 276 B7R0.8 CCCCS(=O)(=O)[O-] MC32079 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.8 CCCCS(N)(=O)=O MC32080 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.1 BrCCCCCCBr CS20550 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.1 COCCOCCN MC431493 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.1 NCCCNCCBr CS13982 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.1 OCCCCCCBr CS14335 [1,1,0,0,0,0|1,0,1]=4 282 B9R0.4 CC(C)NC(=O)NCCN MC112535 [0,2,0,0,0,0|2,0,0]=4 283 B9R0.5 CCCCCC(C)CCBr MC112329 [0,2,0,0,0,0|1,0,1]=4 284 B9R0.5 CCCCCC(C)CCO MC112328 [0,2,0,0,0,0|1,0,1]=4 285 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,2,0,0,0,0|0,0,0]=2 286 B9R0.5 CCOC(=O)CCCCN CS14354 [0,2,0,0,0,0|0,0,0]=2 287 B9R0.5 CCOC(=O)CNCCN MC436180 [0,2,0,0,0,0|1,0,0]=3 288 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,2,0,0,0,0|0,0,2]=4 289 B9R0.8 CCCCC(N)C(=O)OC MC438018 [0,2,0,0,0,0|1,0,0]=3 290 B9R0.8 CCCCC(N)C(=O)OC MC438019 [0,2,0,0,0,0|1,0,0]=3 291 B9R0.8 COC(=O)C(N)CCCN MC438048 [0,2,0,0,0,0|1,0,0]=3 292 B9R0.8 COC(=O)C(N)CCSC MC437955 [0,2,0,0,0,0|1,0,0]=3 293 B9R0.8 COC(=O)C(N)CCSC MC437956 [0,2,0,0,0,0|1,0,0]=3 294 B9R0.8 COC(=O)C(N)CCSC MC439011 [0,2,0,0,0,0|1,0,0]=3 295 B9R0.18 CCCCC(N)CCCC MC428161 [0,2,0,0,0,0|1,0,1]=4 296 B9R0.18 O=C(CCCCl)CCCCl CS14305 [0,2,0,0,0,0|1,0,0]=3 297 B9R0.34 CCOC(=O)CC(=O)CBr CS13599 [0,2,0,0,0,0|1,0,1]=4 298 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [0,2,0,0,0,0|0,0,1]=3 299 B9R0.34 CCOC(=O)CC(=O)CN MC116410 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.34 CCOC(=O)CC(=O)NC MC106824 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.34 COCC(=O)CC(=O)OC MC20562 [0,2,0,0,0,0|1,0,1]=4 302 B9R0.35 CCCC(=O)C(=O)OCC CS14582 [0,2,0,0,0,0|0,0,1]=3 303 B9R0.35 CCCC(N)C(=O)OCC MC439184 [0,2,0,0,0,0|0,0,0]=2 304 B9R0.35 CCOC(=N)C(=O)OCC CS13440 [0,2,0,0,0,0|1,0,1]=4 305 B9R0.35 CCOC(=O)C(=O)OCC MC41888 [0,2,0,0,0,0|1,0,1]=4 306 B9R0.48 CCOC(=O)CCC(=O)Cl MC40471 [0,2,0,0,0,0|1,0,1]=4 307 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,2,0,0,0,0|1,0,1]=4 308 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MC442447 [0,2,0,0,0,0|2,0,0]=4 309 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,2,0,0,0,0|1,0,1]=4 310 B9R0.6 CCOC(=O)C(=O)C(C)C MC41914 [0,2,0,0,0,0|1,0,1]=4 311 B9R0.6 CCOC(=O)C(=O)C(C)Cl MC107439 [0,2,0,0,0,0|1,0,1]=4 312 B9R0.23 CC(C)CC(N)C(=O)CCl MC437823 [0,2,0,0,0,0|1,0,0]=3 313 B9R0.23 CCC(=O)C(C)CN(C)C CS12103 [0,2,0,0,0,0|1,0,0]=3 314 B9R0.23 COC(=O)C(N)CC(C)C CS22260 [0,2,0,0,0,0|1,0,0]=3 315 B9R0.23 COC(=O)C(N)CC(C)C MC437840 [0,2,0,0,0,0|1,0,0]=3 316 B9R0.23 COC(=O)C(N)CC(C)C MC437841 [0,2,0,0,0,0|1,0,0]=3 317 B9R0.27 CCC(=O)C(F)C(=O)OC MC439606 [0,2,0,0,0,0|1,0,1]=4 318 B9R0.27 CCC(C)C(N)C(=O)OC CS13864 [0,2,0,0,0,0|1,0,0]=3 319 B9R0.20 CCS(=O)(=O)CCCCN MC116554 [0,2,0,0,0,0|1,0,0]=3 320 B9R0.24 COC(=O)CCS(=O)OC MC425069 [0,2,0,0,0,0|2,0,0]=4 321 B9R0.46 COC(=O)CCCCCN CS11662 [0,2,0,0,0,0|1,0,0]=3 322 B9R0.47 C=C(C)C(=O)NCCCN CS11712 [0,2,0,0,0,0|1,0,1]=4 323 B9R0.47 CCCCOC(=O)C(C)N CS15628 [0,2,0,0,0,0|0,0,0]=2 324 B9R0.13 CCCCC(NC)C(=O)O MC435132 [0,2,0,0,0,0|1,0,1]=4 325 B9R0.13 CCCCC(NC)C(=O)O MC435489 [0,2,0,0,0,0|1,0,1]=4 326 B9R0.42 CCC(=O)OC(Cl)C(C)C CS20670 [0,2,0,0,0,0|1,0,0]=3 327 B9R0.42 COC(=O)CC(=O)C(C)C CS11675 [0,2,0,0,0,0|1,0,1]=4 328 B9R0.42 COC(=O)CC(=O)C(C)F MC106085 [0,2,0,0,0,0|1,0,1]=4 329 B9R0.21 COC(=O)CCC(C)(C)N MC112459 [0,2,0,0,0,0|1,0,0]=3 330 B9R0.26 COC(=O)CC(OC)OC CS12534 [0,2,0,0,0,0|2,0,0]=4 331 B7R1.1 CCC1CCCN1 MC110951 [1,0,0,1,0,0|1,0,1]=4 332 B7R1.1 COC1=NCCC1 CS10423 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,1,0,0|0,0,2]=4 334 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|1,0,0]=3 337 B7R1.2 NC1CNC(=O)C1 MC103473 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.2 NC1COC(=O)C1 CS14340 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.2 NC1COC(=O)C1 CS14674 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.2 O=C1CC(O)CN1 CS14706 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.2 O=C1CC(O)CN1 CS16472 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.2 O=C1CCC(I)C1 MC115016 [1,0,0,1,0,0|1,0,0]=3 343 B7R1.3 BrC1CCCCC1 CS11079 [1,0,0,1,0,0|1,0,1]=4 344 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|0,0,2]=4 345 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,0]=3 346 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|1,0,0]=3 347 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|1,0,0]=3 348 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|1,0,0]=3 349 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|1,0,0]=3 350 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,1,0,0|1,0,0]=3 351 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,1,0,0|1,0,0]=3 352 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,1,0,0|1,0,0]=3 353 B7R1.3 O=C1CNCCN1 CS19142 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.3 O=C1COCCN1 CS11697 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.4 CC1OCCC1=O CS14135 [1,0,0,1,0,0|1,0,0]=3 358 B7R1.4 CN1CCCC1=O MC41699 [1,0,0,1,0,0|1,0,0]=3 359 B7R1.4 NC1CCNC1=O MC107169 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.4 NC1CCNC1=O MC115917 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.4 NC1CCOC1=O CS18578 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.4 NC1CCOC1=O MC439296 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.4 NC1CCSC1=O MC428331 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.4 O=C1CCCC1Br MC445112 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.4 O=C1NCCC1O CS19486 [1,0,0,1,0,0|2,0,0]=4 366 B7R1.4 O=C1NCCC1O MC115910 [1,0,0,1,0,0|2,0,0]=4 367 B7R1.4 O=C1NCCC1O MC444274 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,1,0,0|1,0,0]=3 369 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.22 COC(=O)C1CC1 MC41839 [1,0,0,1,0,0|1,0,0]=3 372 B7R1.22 O=C(CBr)C1CC1 MC433212 [1,0,0,1,0,0|1,0,0]=3 373 B7R1.12 CC1CC1C(=O)O MC100841 [1,0,0,1,0,0|1,0,0]=3 374 B7R1.12 CC1CC1C(=O)O MC103281 [1,0,0,1,0,0|1,0,0]=3 375 B7R1.12 CC1CC1C(N)=O MC425328 [1,0,0,1,0,0|1,0,0]=3 376 B7R1.12 NC(=O)C1CC1F MC102846 [1,0,0,1,0,0|2,0,0]=4 377 B7R1.12 O=C(O)C1CC1Br MC430635 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.12 O=C(O)C1CC1F MC21162 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.12 O=C(O)C1CC1F MC425300 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.12 O=C(O)C1CC1F MC425301 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.12 O=C(O)C1CC1F MC425302 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.12 O=C(O)C1CC1F MC425316 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.12 O=C(O)C1CC1I MC102749 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.12 O=C(O)C1CC1I MC425298 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.14 CC1(O)CCCC1 CS20768 [1,0,0,1,0,0|0,0,2]=4 386 B7R1.18 CC(O)C1CCC1 CS20672 [1,0,0,1,0,0|0,0,2]=4 387 B7R1.18 NC(=O)C1CNC1 MC10515 [1,0,0,1,0,0|2,0,0]=4 388 B7R1.18 NC(=O)C1CNC1 MC10516 [1,0,0,1,0,0|2,0,0]=4 389 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,1,0,0|1,0,0]=3 390 B7R1.18 O=C(O)C1CCN1 CS16493 [1,0,0,1,0,0|2,0,0]=4 391 B7R1.18 O=C(O)C1CCN1 CS16972 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.18 O=C(O)C1CCN1 CS18844 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.18 O=C(O)C1CCN1 MC436280 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.18 O=C(O)C1CCO1 MC115721 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.18 O=C(O)C1CNC1 CS16485 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.18 O=C(O)C1COC1 CS22389 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.18 O=C(O)C1CSC1 MC100118 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.20 N=C(N)CC1CC1 MC114877 [1,0,0,1,0,0|2,0,0]=4 399 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|1,0,0]=3 400 B7R1.24 C1CNCCNC1 MC31155 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.24 C1CNCCOC1 CS17007 [1,0,0,1,0,0|2,0,0]=4 402 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,1,0,1,0,0|1,0,0]=3 403 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,1,0,1,0,0|1,0,0]=3 405 B9R1.2 O=C1COCC(CO)N1 CS17255 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.7 CCCC1COC(=O)C1 MC426027 [0,1,0,1,0,0|1,0,0]=3 407 B9R1.7 CCNC1CCN(C)C1 MC103676 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [0,1,0,1,0,0|0,0,2]=4 409 B9R1.7 CN1CCC(CCO)C1 MC102377 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.8 BrCCN1CCCCC1 CS16757 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.8 CCNC1CCCCC1 CS11778 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.8 ClCCN1CCCCC1 CS19629 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.8 NCCC1CCCCC1 CS18358 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.8 NCCN1CCCCC1 CS16099 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.8 OCCC1CCCCN1 CS13732 [0,1,0,1,0,0|1,0,1]=4 416 B9R1.8 OCCC1CCCCN1 CS17564 [0,1,0,1,0,0|1,0,1]=4 417 B9R1.8 OCCC1CCCCN1 MC445188 [0,1,0,1,0,0|1,0,1]=4 418 B9R1.15 CCC1CNCCC1=O CS17950 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.15 CN1CCCCC1CO CS16091 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.15 CN1CCCCC1CO CS16092 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.15 CN1CCCCC1CO CS18858 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.15 COC1CCCNC1=O CS12712 [0,1,0,1,0,0|1,0,0]=3 423 B9R1.15 N#CC1CCCCC1=O MC33325 [0,1,0,1,0,0|0,0,1]=3 424 B9R1.15 O=CC1=C(Cl)CCCC1 MC107245 [0,1,0,1,0,0|1,0,1]=4 425 B9R1.33 COCC1CCCC1=O MC106167 [0,1,0,1,0,0|1,0,0]=3 426 B9R1.33 O=C1CCCN1CCBr MC431361 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,1,0,1,0,0|0,0,1]=3 428 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,1,0,1,0,0|1,0,1]=4 429 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,1,0,1,0,0|0,0,0]=2 430 B9R1.49 CN1CCCC(N)CC1 MC444311 [0,1,0,1,0,0|1,0,1]=4 431 B9R1.49 CN1CCCC(O)CC1 CS13879 [0,1,0,1,0,0|0,0,2]=4 432 B9R1.50 O=C1CCCCCCN1 CS21316 [0,1,0,1,0,0|0,0,0]=2 433 B9R1.69 CC1CC(N)CCN1C MC104351 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,1,0,1,0,0|1,0,1]=4 435 B9R1.69 CC1CN(C)C(=O)CN1 MC104410 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.69 CC1CN(C)C(=O)CN1 MC105415 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,1,0,1,0,0|1,0,1]=4 438 B9R1.69 CN1CC(N)CCC1=O MC104028 [0,1,0,1,0,0|1,0,0]=3 439 B9R1.69 CN1CC(N)CCC1=O MC444375 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.69 CN1CCC(=O)CC1=O MC105215 [0,1,0,1,0,0|1,0,1]=4 441 B9R1.69 CN1CCC(N)CC1=O MC105288 [0,1,0,1,0,0|1,0,0]=3 442 B9R1.73 CCOC(=O)C1CCC1 MC41840 [0,1,0,1,0,0|0,0,0]=2 443 B9R1.73 CCOC(=O)C1CNC1 CS11347 [0,1,0,1,0,0|1,0,0]=3 444 B9R1.183 CCOC(=O)C1CC1Br MC430633 [0,1,0,1,0,0|1,0,0]=3 445 B9R1.183 CCOC(=O)C1CC1F MC425315 [0,1,0,1,0,0|1,0,0]=3 446 B9R1.183 N#CCC(=O)C1CC1F MC102857 [0,1,0,1,0,0|1,0,1]=4 447 B9R1.183 N#CCC(=O)C1CC1F MC102858 [0,1,0,1,0,0|1,0,1]=4 448 B9R1.3 CC1C(=O)CCCC1=O CS10132 [0,1,0,1,0,0|0,0,1]=3 449 B9R1.3 CN1C(=O)CCCC1=O MC446647 [0,1,0,1,0,0|1,0,1]=4 450 B9R1.3 CN1CCCC(N)C1=O MC103467 [0,1,0,1,0,0|1,0,0]=3 451 B9R1.3 CN1CCCC(N)C1=O MC104792 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.3 CN1CCCC(N)C1=O MC106967 [0,1,0,1,0,0|1,0,0]=3 453 B9R1.3 CN1CCCN(C)C1=O CS14637 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.5 CN1CCCNCC1=O MC100103 [0,1,0,1,0,0|1,0,0]=3 455 B9R1.5 NC1CCCCNC1=O CS15569 [0,1,0,1,0,0|1,0,0]=3 456 B9R1.5 NC1CCCCNC1=O CS15816 [0,1,0,1,0,0|1,0,0]=3 457 B9R1.5 NC1CCCCNC1=O MC425745 [0,1,0,1,0,0|1,0,0]=3 458 B9R1.5 NC1CSCCNC1=O MC100169 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.11 COC(=O)C1=CCCC1 CS18911 [0,1,0,1,0,0|1,0,1]=4 460 B9R1.11 COC(=O)C1CCCN1 CS11440 [0,1,0,1,0,0|1,0,0]=3 461 B9R1.11 COC(=O)C1CCCN1 CS18447 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.11 COC(=O)C1CCCN1 MC438131 [0,1,0,1,0,0|1,0,0]=3 463 B9R1.11 COC(=O)C1CCNC1 MC103933 [0,1,0,1,0,0|1,0,0]=3 464 B9R1.82 COC(=O)C1CC(=O)C1 CS13104 [0,1,0,1,0,0|1,0,1]=4 465 B9R1.82 COC(=O)C1CC(Br)C1 MC103784 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.82 COC(=O)C1CC(Br)C1 MC103785 [0,1,0,1,0,0|1,0,0]=3 467 B9R1.82 COC(=O)C1CC(Cl)C1 MC444530 [0,1,0,1,0,0|1,0,0]=3 468 B9R1.82 COC(=O)C1CC(N)C1 CS15952 [0,1,0,1,0,0|1,0,0]=3 469 B9R1.82 COC(=O)C1CC(N)C1 MC103928 [0,1,0,1,0,0|1,0,0]=3 470 B9R1.82 COC(=O)C1CC(N)C1 MC103997 [0,1,0,1,0,0|1,0,0]=3 471 B9R1.82 COC(=O)C1CC(N)C1 MC444564 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.82 COC(=O)C1CC(O)C1 MC444276 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.82 COC(=O)C1CC(O)C1 MC444557 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.82 COC(=O)C1CC(O)C1 MC444565 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.101 COC(=O)C(N)C1CC1 MC106086 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.132 CN1C(=O)CCC1CO MC102373 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.186 COC(=O)C1(F)CNC1 MC103807 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.186 COC(=O)C1(N)CCC1 CS11175 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.186 COC(=O)C1(N)COC1 MC102005 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.1 CN1CCC(CN)CC1 CS21766 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.1 CN1CCC(CO)CC1 CS19632 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.1 CNC1CCC(=O)CC1 CS14610 [0,1,0,1,0,0|0,0,0]=2 483 B9R1.1 CNC1CCC(O)CC1 MC103812 [0,1,0,1,0,0|0,0,2]=4 484 B9R1.1 CNC1CCN(C)CC1 CS18451 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.1 COC1CCC(=O)CC1 CS14437 [0,1,0,1,0,0|0,0,0]=2 486 B9R1.1 COC1CCC(N)CC1 CS13257 [0,1,0,1,0,0|1,0,1]=4 487 B9R1.1 COC1CCC(N)CC1 MC429972 [0,1,0,1,0,0|1,0,1]=4 488 B9R1.1 COC1CCC(O)CC1 CS15906 [0,1,0,1,0,0|0,0,2]=4 489 B9R1.1 N#CC1CCC(=O)CC1 CS13355 [0,1,0,1,0,0|0,0,1]=3 490 B9R1.1 NC1CCC(CO)CC1 MC425647 [0,1,0,1,0,0|1,0,1]=4 491 B9R1.1 NCC1CCC(=O)NC1 MC101985 [0,1,0,1,0,0|1,0,0]=3 492 B9R1.1 NCC1CCC(O)CC1 MC102788 [0,1,0,1,0,0|0,0,2]=4 493 B9R1.1 NCC1CCC(O)CC1 MC103405 [0,1,0,1,0,0|0,0,2]=4 494 B9R1.1 NCC1CCC(O)CC1 MC104233 [0,1,0,1,0,0|0,0,2]=4 495 B9R1.1 O=CC1CCC(=O)CC1 MC112097 [0,1,0,1,0,0|0,0,1]=3 496 B9R1.79 COC(=O)CC1CNC1 MC113002 [0,1,0,1,0,0|1,0,0]=3 497 B9R1.79 COC(=O)CC1CNC1 MC444523 [0,1,0,1,0,0|1,0,0]=3 498 B9R1.81 COC(=O)C1CCC1N MC103768 [0,1,0,1,0,0|1,0,0]=3 499 B9R1.118 CCC1(O)CCCCC1 MC111123 [0,1,0,1,0,0|0,0,2]=4 500 B9R1.118 CCC1(O)CCNCC1 MC444349 [0,1,0,1,0,0|0,0,2]=4 501 B9R1.35 CC(C)C1COC(=O)N1 CS22803 [0,1,0,1,0,0|2,0,0]=4 502 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [0,1,0,1,0,0|1,0,1]=4 503 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [0,1,0,1,0,0|1,0,1]=4 504 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [0,1,0,1,0,0|1,0,1]=4 505 B9R1.40 CC1(C)CCCOC1=O MC112082 [0,1,0,1,0,0|1,0,0]=3 506 B9R1.40 CC1(C)COCCC1=O CS16380 [0,1,0,1,0,0|1,0,0]=3 507 B9R1.40 O=C1NCCCC1(Br)Br CS18534 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.110 CN(C)C(=O)C1CNC1 MC113079 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.10 C=C1CCC(C)(C)CC1 MC105700 [0,1,0,1,0,0|1,0,0]=3 510 B9R1.10 CC1(C)CCC(=O)CC1 CS22420 [0,1,0,1,0,0|0,0,0]=2 511 B9R1.10 CC1(C)CCC(O)CC1 CS22482 [0,1,0,1,0,0|0,0,2]=4 512 B9R1.10 CC1(C)OCC(=O)CO1 MC425473 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.10 CC1(N)CCC(O)CC1 MC103484 [0,1,0,1,0,0|0,0,2]=4 514 B9R1.10 CC1(O)CCC(=O)CC1 CS14351 [0,1,0,1,0,0|0,0,0]=2 515 B9R1.10 CC1(O)CCC(N)CC1 MC102206 [0,1,0,1,0,0|1,0,1]=4 516 B9R1.10 CC1(O)CCC(N)CC1 MC102207 [0,1,0,1,0,0|1,0,1]=4 517 B9R1.10 CC1(O)CCC(N)CC1 MC102208 [0,1,0,1,0,0|1,0,1]=4 518 B9R1.10 NC1CCS(=O)(=O)CC1 CS22595 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.10 NC1CCS(=O)(=O)CC1 MC444070 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.10 O=C1CCC(F)(F)CC1 MC10539 [0,1,0,1,0,0|1,0,0]=3 521 B9R1.10 O=C1CCC(F)(F)CN1 MC105162 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.10 O=C1CCS(=O)(=O)CC1 CS15032 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.133 NCC1CCS(=O)(=O)C1 MC104488 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.148 O=S1(=O)CCCNCC1 MC100270 [0,1,0,1,0,0|2,0,0]=4 525 B9R2.68 C1CC2CCC(C1)N2 MC444465 [0,0,0,2,0,0|1,0,1]=4 526 B9R2.49 C1CC2CCC1CN2 MC425241 [0,0,0,2,0,0|1,0,1]=4 527 B9R2.49 C1CN2CCC1CC2 MC440084 [0,0,0,2,0,0|2,0,0]=4 528 B9R2.174 C1CCC2(CC2)NC1 MC121178 [0,0,0,2,0,0|1,0,1]=4 529 B9R2.19 O=C1NCC2CC1N2 MC105469 [0,0,0,2,0,0|2,0,0]=4 530 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,2,0,0|0,0,0]=2 531 B9R2.173 C1CCC2(C1)CCN2 MC104800 [0,0,0,2,0,0|1,0,1]=4