0 B8R1.22 CC1CCNCCN1 MC104490 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.22 FC1CCCNCC1 MC103919 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.22 NC1CCCCNC1 CS18624 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.22 NC1CCCCNC1 MC104803 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.22 NC1CCCCNC1 MC425605 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.24 C1CNCCNC1 MC31155 [1,0,0,0,0,0|1,0,1]=3 10 B7R1.24 C1CNCCOC1 CS17007 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.5 CN1CCCNCC1=O MC100103 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.5 NC1CCCCNC1=O CS15569 [0,1,0,0,0,0|0,0,0]=1 13 B9R1.5 NC1CCCCNC1=O CS15816 [0,1,0,0,0,0|0,0,0]=1 14 B9R1.5 NC1CCCCNC1=O MC425745 [0,1,0,0,0,0|0,0,0]=1 15 B9R1.5 NC1CSCCNC1=O MC100169 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,1,0,0,0,0|1,0,1]=3 17 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,1,0,0,0,0|0,0,1]=2 18 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.49 CN1CCCC(N)CC1 MC444311 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.49 CN1CCCC(O)CC1 CS13879 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.148 O=S1(=O)CCCNCC1 MC100270 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.1 BrCCCCCCBr CS20550 [0,0,1,0,0,0|2,0,1]=4 23 B7R0.1 C#CCCCCCO CS10705 [0,0,1,0,0,0|2,0,1]=4 24 B7R0.1 C=CCCCCCBr CS19607 [0,0,1,0,0,0|2,0,0]=3 25 B7R0.1 COCCOCCN MC431493 [0,0,1,0,0,0|3,0,0]=4 26 B7R0.1 COCOCCC=O MC445436 [0,0,1,0,0,0|3,0,0]=4 27 B7R0.1 N#CCCCCCBr MC41862 [0,0,1,0,0,0|2,0,1]=4 28 B7R0.1 NCCCNCCBr CS13982 [0,0,1,0,0,0|2,0,1]=4 29 B7R0.1 OCCCCCCBr CS14335 [0,0,1,0,0,0|1,0,2]=4 30 B7R0.1 [N-]=[N+]=NCCCC=O MC121280 [0,0,1,0,0,0|2,0,1]=4 31 B7R0.3 C#CCCC(=O)OC MC424002 [0,0,1,0,0,0|1,0,2]=4 32 B7R0.3 COC(=O)CCC=O MC21172 [0,0,1,0,0,0|2,0,1]=4 33 B7R0.3 COC(=O)CCCBr MC427387 [0,0,1,0,0,0|2,0,0]=3 34 B7R0.3 COC(=O)CCCN MC439309 [0,0,1,0,0,0|2,0,0]=3 35 B7R0.3 COCCC(=O)NN MC111753 [0,0,1,0,0,0|2,0,0]=3 36 B7R0.4 C#CCCCC(=O)O CS14686 [0,0,1,0,0,0|1,0,2]=4 37 B7R0.4 CC#CCOC(C)=O MC434061 [0,0,1,0,0,0|1,0,2]=4 38 B7R0.4 CC(=O)CCCCBr CS10627 [0,0,1,0,0,0|2,0,0]=3 39 B7R0.4 CCCCCB(O)O CS22305 [0,0,1,0,0,0|2,0,1]=4 40 B7R0.4 CCCCCC(C)O CS21570 [0,0,1,0,0,0|1,0,2]=4 41 B7R0.4 CCCOCC(=O)O MC425744 [0,0,1,0,0,0|2,0,0]=3 42 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,0,1,0,0,0|1,0,1]=3 43 B7R0.4 COCCCC(C)N MC112163 [0,0,1,0,0,0|2,0,1]=4 44 B7R0.4 NCCCCC(=O)O MC428108 [0,0,1,0,0,0|2,0,0]=3 45 B7R0.4 NCCNCC(=O)O MC436179 [0,0,1,0,0,0|3,0,0]=4 46 B7R0.4 O=C(O)CCCCBr MC41866 [0,0,1,0,0,0|2,0,0]=3 47 B7R0.7 CC#CC(=O)OCC CS10117 [0,0,1,0,0,0|1,0,2]=4 48 B7R0.7 CCOC(=O)CC#N MC41911 [0,0,1,0,0,0|2,0,1]=4 49 B7R0.7 CCOC(=O)CCN CS14330 [0,0,1,0,0,0|2,0,0]=3 50 B7R0.7 CCOC(=O)CNC CS17068 [0,0,1,0,0,0|2,0,0]=3 51 B7R0.7 CCOC(=O)CNN CS19987 [0,0,1,0,0,0|3,0,0]=4 52 B7R0.7 CCOC(=O)COC CS11389 [0,0,1,0,0,0|2,0,0]=3 53 B7R0.7 O=C(CCCl)CCCl CS19912 [0,0,1,0,0,0|3,0,0]=4 54 B9R2.68 C1CC2CCC(C1)N2 MC444465 [0,0,0,1,0,0|2,0,1]=4 55 B9R2.68 C1CN2CCC(C2)N1 MC103662 [0,0,0,1,0,0|2,0,1]=4 56 B9R2.68 C1CN2CCC(C2)N1 MC105589 [0,0,0,1,0,0|2,0,1]=4 57 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,1,0,0|1,0,0]=2 58 B7R1.3 BrC1CCCCC1 CS11079 [0,0,0,0,1,0|1,0,1]=3 59 B7R1.3 BrC1CCNCC1 CS18356 [0,0,0,0,1,0|2,0,1]=4 60 B7R1.3 BrC1CCOCC1 CS18193 [0,0,0,0,1,0|2,0,1]=4 61 B7R1.3 CC1CCCCN1 MC20418 [0,0,0,0,1,0|1,0,1]=3 62 B7R1.3 CC1CCCNC1 CS16133 [0,0,0,0,1,0|2,0,1]=4 63 B7R1.3 CC1CCCNC1 MC425227 [0,0,0,0,1,0|2,0,1]=4 64 B7R1.3 CC1CNCCN1 CS13503 [0,0,0,0,1,0|2,0,1]=4 65 B7R1.3 CC1CNCCN1 CS17164 [0,0,0,0,1,0|2,0,1]=4 66 B7R1.3 CC1CNCCN1 CS17167 [0,0,0,0,1,0|2,0,1]=4 67 B7R1.3 CC1COCCN1 CS14856 [0,0,0,0,1,0|2,0,1]=4 68 B7R1.3 CC1COCCN1 CS20285 [0,0,0,0,1,0|2,0,1]=4 69 B7R1.3 CC1COCCN1 CS22371 [0,0,0,0,1,0|2,0,1]=4 70 B7R1.3 CC1COCCN1 CS22413 [0,0,0,0,1,0|2,0,1]=4 71 B7R1.3 CC1COCCN1 MC20820 [0,0,0,0,1,0|2,0,1]=4 72 B7R1.3 CN1CCNCC1 MC20458 [0,0,0,0,1,0|3,0,0]=4 73 B7R1.3 ClC1CCNCC1 CS16938 [0,0,0,0,1,0|2,0,1]=4 74 B7R1.3 FC1CCCNC1 MC101908 [0,0,0,0,1,0|2,0,1]=4 75 B7R1.3 FC1CCCNC1 MC101918 [0,0,0,0,1,0|2,0,1]=4 76 B7R1.3 FC1CCCNC1 MC444270 [0,0,0,0,1,0|2,0,1]=4 77 B7R1.3 FC1CCNCC1 CS22845 [0,0,0,0,1,0|2,0,1]=4 78 B7R1.3 IC1CCOCC1 CS18194 [0,0,0,0,1,0|2,0,1]=4 79 B7R1.3 NC1CCCNC1 CS17178 [0,0,0,0,1,0|2,0,1]=4 80 B7R1.3 NC1CCCNC1 CS17182 [0,0,0,0,1,0|2,0,1]=4 81 B7R1.3 NC1CCCNC1 CS22655 [0,0,0,0,1,0|2,0,1]=4 82 B7R1.3 NC1CCOCC1 CS16997 [0,0,0,0,1,0|2,0,1]=4 83 B7R1.3 NC1CCOCC1 CS18985 [0,0,0,0,1,0|2,0,1]=4 84 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,0,0,1,0|0,0,2]=3 85 B7R1.3 O=C1C=CCCN1 CS15771 [0,0,0,0,1,0|0,0,2]=3 86 B7R1.3 O=C1C=CCOC1 CS17023 [0,0,0,0,1,0|1,0,2]=4 87 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,0,1,0|0,0,0]=1 88 B7R1.3 O=C1CCCCO1 CS11208 [0,0,0,0,1,0|1,0,0]=2 89 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,0,1,0|1,0,0]=2 90 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,0,1,0|1,0,0]=2 91 B7R1.3 O=C1CCCOC1 MC31097 [0,0,0,0,1,0|1,0,0]=2 92 B7R1.3 O=C1CCNCC1 CS22790 [0,0,0,0,1,0|1,0,0]=2 93 B7R1.3 O=C1CCOCC1 CS13380 [0,0,0,0,1,0|1,0,0]=2 94 B7R1.3 O=C1CCSCC1 CS18797 [0,0,0,0,1,0|1,0,0]=2 95 B7R1.3 O=C1CNCCN1 CS19142 [0,0,0,0,1,0|1,0,0]=2 96 B7R1.3 O=C1CNCCO1 MC441004 [0,0,0,0,1,0|2,0,0]=3 97 B7R1.3 O=C1COCCN1 CS11697 [0,0,0,0,1,0|1,0,0]=2 98 B7R1.3 O=C1COCCO1 MC20725 [0,0,0,0,1,0|2,0,0]=3 99 B7R1.3 OC1CCCNC1 CS17016 [0,0,0,0,1,0|1,0,2]=4 100 B7R1.3 OC1CCCNC1 CS17020 [0,0,0,0,1,0|1,0,2]=4 101 B7R1.3 OC1CCCNC1 CS22642 [0,0,0,0,1,0|1,0,2]=4 102 B7R1.3 OC1CCCOC1 CS17782 [0,0,0,0,1,0|1,0,2]=4 103 B7R1.3 OC1CCNCC1 CS14900 [0,0,0,0,1,0|1,0,2]=4 104 B7R1.3 OC1CCNCC1 CS22643 [0,0,0,0,1,0|1,0,2]=4 105 B7R1.3 OC1CCOCC1 CS13929 [0,0,0,0,1,0|1,0,2]=4 106 B7R1.3 OC1CCSCC1 CS12012 [0,0,0,0,1,0|1,0,2]=4 107 B7R1.3 SC1CCCNC1 MC105166 [0,0,0,0,1,0|1,1,1]=4 108 B7R1.3 SC1CCOCC1 MC107026 [0,0,0,0,1,0|1,1,1]=4 109 B9R1.50 O=C1CCCCCCN1 CS21316 [0,0,0,0,0,1|0,0,0]=1 110 B6R0.6 BrCCCCCBr MC41886 [1,0,1,0,0,0|2,0,0]=4 111 B6R0.6 C=CCCCCCl MC427568 [1,0,1,0,0,0|1,0,1]=4 112 B6R0.6 C=CCCCCN MC111853 [1,0,1,0,0,0|0,0,1]=3 113 B6R0.6 C=CCCCCO CS10397 [1,0,1,0,0,0|1,0,1]=4 114 B6R0.6 C=COCCCN MC41859 [1,0,1,0,0,0|1,0,1]=4 115 B6R0.6 COCCCC=O MC111975 [1,0,1,0,0,0|1,0,0]=3 116 B6R0.6 FCCCCCBr CS14708 [1,0,1,0,0,0|2,0,0]=4 117 B6R0.6 NCCCCCN CS19074 [1,0,1,0,0,0|1,0,0]=3 118 B6R0.6 OCCCCCCl CS14778 [1,0,1,0,0,0|1,0,1]=4 119 B6R0.6 OCCCCCO CS20549 [1,0,1,0,0,0|1,0,1]=4 120 B6R0.1 CCCC(=O)NN CS22544 [1,0,1,0,0,0|1,0,0]=3 121 B6R0.1 CCNC(=O)NC MC428152 [1,0,1,0,0,0|1,0,0]=3 122 B6R0.1 CCOC(=O)CBr MC41907 [1,0,1,0,0,0|2,0,0]=4 123 B6R0.1 CCOC(=O)CCl MC41910 [1,0,1,0,0,0|2,0,0]=4 124 B6R0.1 CCOC(=O)CN CS15347 [1,0,1,0,0,0|2,0,0]=4 125 B6R0.1 CCOC(=O)CO CS11386 [1,0,1,0,0,0|2,0,0]=4 126 B6R0.1 CCOC(=O)NN CS11383 [1,0,1,0,0,0|2,0,0]=4 127 B6R0.1 CNC(=O)CC#N CS18404 [1,0,1,0,0,0|1,0,1]=4 128 B6R0.1 CNC(=O)CCN MC112263 [1,0,1,0,0,0|1,0,0]=3 129 B6R0.1 CNCC(=O)OC MC438154 [1,0,1,0,0,0|2,0,0]=4 130 B6R0.1 COC(=O)CCBr CS18993 [1,0,1,0,0,0|2,0,0]=4 131 B6R0.1 COC(=O)CCN CS22266 [1,0,1,0,0,0|2,0,0]=4 132 B6R0.1 COCC(=O)NN CS11580 [1,0,1,0,0,0|2,0,0]=4 133 B6R0.1 O=C(CCl)NCO CS14580 [1,0,1,0,0,0|2,0,0]=4 134 B6R0.4 C#CCCC(N)=O MC106194 [1,0,1,0,0,0|0,0,2]=4 135 B6R0.4 CC(=O)CCCBr CS10305 [1,0,1,0,0,0|1,0,0]=3 136 B6R0.4 CC(=O)CCCCl CS10334 [1,0,1,0,0,0|1,0,0]=3 137 B6R0.4 CC(=O)NCCCl MC33011 [1,0,1,0,0,0|1,0,0]=3 138 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,1,0,0,0|1,0,0]=3 139 B6R0.4 NCCCC(=O)O CS14998 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.4 NCCCC(N)=O MC112262 [1,0,1,0,0,0|1,0,0]=3 141 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,1,0,0,0|2,0,0]=4 142 B6R0.4 O=C(O)CCCBr CS14053 [1,0,1,0,0,0|2,0,0]=4 143 B8R0.7 CSCCCCC(=O)O MC112374 [0,1,1,0,0,0|2,0,0]=4 144 B8R0.7 N=C(N)NCCCCN MC436135 [0,1,1,0,0,0|2,0,0]=4 145 B8R0.7 NCCCCCC(=O)O CS13381 [0,1,1,0,0,0|0,0,0]=2 146 B8R0.7 O=C(O)CCCCCBr CS18405 [0,1,1,0,0,0|1,0,0]=3 147 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,1,1,0,0,0|1,0,0]=3 148 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,1,1,0,0,0|2,0,0]=4 149 B8R0.3 COC(=O)C(Br)CCBr MC41887 [0,1,1,0,0,0|2,0,0]=4 150 B8R0.8 CN(C)C(=O)CCCN MC112306 [0,1,1,0,0,0|1,0,0]=3 151 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,1,1,0,0,0|1,0,1]=4 152 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,1,1,0,0,0|1,0,1]=4 153 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,1,1,0,0,0|1,0,1]=4 154 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,1,1,0,0,0|2,0,0]=4 155 B8R0.5 CCOC(=O)CC(N)=O CS18301 [0,1,1,0,0,0|1,0,1]=4 156 B8R0.21 CCCCCS(=O)(=O)[O-] MC445019 [0,1,1,0,0,0|2,0,0]=4 157 B8R0.21 CCCCCS(=O)(=O)[O-] MC445025 [0,1,1,0,0,0|2,0,0]=4 158 B8R0.28 CC(C)CCCC(C)N MC446672 [0,1,1,0,0,0|1,0,1]=4 159 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,1,1,0,0,0|2,0,0]=4 160 B8R1.2 BrCC1=CCCCC1 MC103521 [0,1,0,0,1,0|1,0,1]=4 161 B8R1.2 BrCC1CCCCC1 CS19887 [0,1,0,0,1,0|1,0,1]=4 162 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [0,1,0,0,1,0|1,0,1]=4 163 B8R1.2 N#CC1CCCCN1 MC105353 [0,1,0,0,1,0|1,0,1]=4 164 B8R1.2 N#CC1CCCCN1 MC444185 [0,1,0,0,1,0|1,0,1]=4 165 B8R1.2 NCC1CCCCC1 MC20908 [0,1,0,0,1,0|1,0,1]=4 166 B8R1.2 NCC1CCCCN1 CS22822 [0,1,0,0,1,0|1,0,1]=4 167 B8R1.2 NNC1CCCCC1 MC442574 [0,1,0,0,1,0|1,0,1]=4 168 B8R1.2 NNC1CCCCC1 MC442575 [0,1,0,0,1,0|1,0,1]=4 169 B8R1.2 O=CC1=CCCOC1 CS10171 [0,1,0,0,1,0|1,0,1]=4 170 B8R1.2 O=CC1CCCCC1 MC20143 [0,1,0,0,1,0|0,0,1]=3 171 B8R1.2 O=CC1CCCOC1 MC442323 [0,1,0,0,1,0|1,0,1]=4 172 B8R1.2 O=CC1CCOCC1 MC445812 [0,1,0,0,1,0|1,0,1]=4 173 B8R1.2 O=CN1CCOCC1 CS11780 [0,1,0,0,1,0|2,0,0]=4 174 B8R1.2 OCC1CCCCC1 MC20144 [0,1,0,0,1,0|0,0,2]=4 175 B8R1.2 OCC1CCCCN1 CS21780 [0,1,0,0,1,0|0,0,2]=4 176 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,1,0,0,1,0|0,0,1]=3 177 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,1,0,0,1,0|1,0,0]=3 178 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,1,0,0,1,0|1,0,0]=3 179 B8R1.3 CN1CCC(Cl)CC1 CS18485 [0,1,0,0,1,0|2,0,0]=4 180 B8R1.3 CN1CCC(N)CC1 CS18628 [0,1,0,0,1,0|2,0,0]=4 181 B8R1.3 CN1CCC(O)CC1 CS13491 [0,1,0,0,1,0|2,0,0]=4 182 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,1,0,0,1,0|0,0,0]=2 183 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,1,0,0,1,0|0,0,0]=2 184 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,1,0,0,1,0|0,0,0]=2 185 B8R1.3 NC1CCC(N)CC1 CS18629 [0,1,0,0,1,0|1,0,1]=4 186 B8R1.3 NC1CCC(N)CC1 MC20732 [0,1,0,0,1,0|1,0,1]=4 187 B8R1.3 NC1CCC(O)CC1 CS12038 [0,1,0,0,1,0|0,0,2]=4 188 B8R1.3 NC1CCC(O)CC1 CS15381 [0,1,0,0,1,0|0,0,2]=4 189 B8R1.3 NC1CCC(O)CC1 CS18581 [0,1,0,0,1,0|0,0,2]=4 190 B8R1.3 NC1CCC(O)CC1 CS18592 [0,1,0,0,1,0|0,0,2]=4 191 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,1,0,0,1,0|0,0,1]=3 192 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,1,0,0,1,0|0,0,1]=3 193 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,1,0,0,1,0|0,0,0]=2 194 B8R1.3 OC1CCC(O)CC1 CS20531 [0,1,0,0,1,0|0,0,2]=4 195 B8R1.3 OC1CCC(O)CC1 MC103601 [0,1,0,0,1,0|0,0,2]=4 196 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,1,0,0,1,0|1,0,1]=4 197 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,0,1,0|1,0,0]=3 198 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,0,1,0|1,0,0]=3 199 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,0,1,0|1,0,0]=3 200 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,0,1,0|1,0,0]=3 201 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,0,1,0|1,0,0]=3 202 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,0,1,0|1,0,0]=3 203 B8R1.4 CC1CC(O)CCN1 MC102122 [0,1,0,0,1,0|1,0,1]=4 204 B8R1.4 CC1CC(O)CCN1 MC102123 [0,1,0,0,1,0|1,0,1]=4 205 B8R1.4 CC1CC(O)CCN1 MC102289 [0,1,0,0,1,0|1,0,1]=4 206 B8R1.4 CC1CCNC(C)C1 CS21125 [0,1,0,0,1,0|1,0,1]=4 207 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,0,1,0|1,0,0]=3 208 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,0,1,0|1,0,0]=3 209 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,0,1,0|1,0,0]=3 210 B8R1.4 CN1CCCC(N)C1 MC102357 [0,1,0,0,1,0|2,0,0]=4 211 B8R1.4 CN1CCCC(N)C1 MC444039 [0,1,0,0,1,0|2,0,0]=4 212 B8R1.4 CN1CCCC(N)C1 MC444227 [0,1,0,0,1,0|2,0,0]=4 213 B8R1.4 CN1CCCC(O)C1 MC445500 [0,1,0,0,1,0|2,0,0]=4 214 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,0,1,0|1,0,0]=3 215 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,0,1,0|2,0,0]=4 216 B8R1.4 NC1CCCC(N)C1 CS17066 [0,1,0,0,1,0|1,0,1]=4 217 B8R1.4 NC1CCCC(O)C1 CS17342 [0,1,0,0,1,0|0,0,2]=4 218 B8R1.4 NC1CCCC(O)C1 CS18558 [0,1,0,0,1,0|0,0,2]=4 219 B8R1.4 NC1CCCC(O)C1 MC116000 [0,1,0,0,1,0|0,0,2]=4 220 B8R1.4 NC1CCCC(O)C1 MC116001 [0,1,0,0,1,0|0,0,2]=4 221 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,1,0,0,1,0|0,0,0]=2 222 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,1,0,0,1,0|0,0,0]=2 223 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,0,1,0|0,0,1]=3 224 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,1,0,0,1,0|1,0,1]=4 225 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,1,0,0,1,0|0,0,1]=3 226 B8R1.4 O=C1CNCC(=O)N1 CS19079 [0,1,0,0,1,0|1,0,1]=4 227 B8R1.5 BrC1CCCCC1Br CS20488 [0,1,0,0,1,0|1,0,1]=4 228 B8R1.5 CC1=NCCCN1C MC20695 [0,1,0,0,1,0|2,0,0]=4 229 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,0,1,0|1,0,0]=3 230 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,0,1,0|1,0,0]=3 231 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,0,1,0|1,0,0]=3 232 B8R1.5 CN1CCNCC1=O CS17040 [0,1,0,0,1,0|1,0,0]=3 233 B8R1.5 CN1CCNCC1=O CS18390 [0,1,0,0,1,0|1,0,0]=3 234 B8R1.5 NC1CCCCC1N CS11826 [0,1,0,0,1,0|1,0,1]=4 235 B8R1.5 NC1CCCCC1N CS22821 [0,1,0,0,1,0|1,0,1]=4 236 B8R1.5 NC1CCCCC1O CS12403 [0,1,0,0,1,0|0,0,2]=4 237 B8R1.5 NC1CCCCC1O CS12547 [0,1,0,0,1,0|0,0,2]=4 238 B8R1.5 NC1CCCCC1O CS12548 [0,1,0,0,1,0|0,0,2]=4 239 B8R1.5 NC1CCCCC1O CS14928 [0,1,0,0,1,0|0,0,2]=4 240 B8R1.5 NC1CCCCC1O CS18590 [0,1,0,0,1,0|0,0,2]=4 241 B8R1.5 NC1CCCCC1O MC20710 [0,1,0,0,1,0|0,0,2]=4 242 B8R1.5 NC1CCCCC1O MC20824 [0,1,0,0,1,0|0,0,2]=4 243 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,0,1,0|0,0,0]=2 244 B8R1.5 O=C1CCCC=C1I MC106097 [0,1,0,0,1,0|0,0,2]=4 245 B8R1.5 O=C1CCCCC1=O CS20486 [0,1,0,0,1,0|0,0,1]=3 246 B8R1.5 O=C1CCNCC1Br MC106749 [0,1,0,0,1,0|1,0,0]=3 247 B8R1.5 O=C1NCCCC1Br CS14644 [0,1,0,0,1,0|0,0,0]=2 248 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,0,1,0|0,0,0]=2 249 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,0,1,0|1,0,0]=3 250 B8R1.5 OC1CCCCC1F MC107093 [0,1,0,0,1,0|0,0,2]=4 251 B8R1.5 OC1CCCCC1O CS12029 [0,1,0,0,1,0|0,0,2]=4 252 B8R1.72 O=S1(=O)CCCCN1 MC428209 [0,1,0,0,1,0|1,0,0]=3 253 B8R1.72 O=S1(=O)CCNCC1 CS16686 [0,1,0,0,1,0|2,0,0]=4 254 B10R1.79 O=C1CCCC(=O)CCC1 MC102212 [0,1,0,0,0,1|1,0,0]=3 255 B10R1.348 O=C(O)C1CCCCCC1 CS20527 [0,2,0,0,0,0|1,0,1]=4 256 B10R1.348 OB(O)C1=CCCCCC1 MC113657 [0,2,0,0,0,0|1,0,1]=4 257 B8R1.8 COCC1CCCN1 CS20310 [0,0,1,1,0,0|2,0,0]=4 258 B8R1.8 NCCC1CCCC1 CS15909 [0,0,1,1,0,0|1,0,1]=4 259 B8R1.8 OCCC1CCCN1 MC103847 [0,0,1,1,0,0|0,0,2]=4 260 B8R1.8 OCCC1CCCN1 MC106622 [0,0,1,1,0,0|0,0,2]=4 261 B8R1.11 CN1CCCC1CN MC444032 [0,0,1,1,0,0|2,0,0]=4 262 B8R1.11 CN1CCCC1CN MC444049 [0,0,1,1,0,0|2,0,0]=4 263 B8R1.11 N#CC1CCCC1=O CS20047 [0,0,1,1,0,0|0,0,2]=4 264 B8R1.11 N#CC1CCCC1N MC104396 [0,0,1,1,0,0|1,0,1]=4 265 B8R1.11 O=C1NCCC1CO MC104392 [0,0,1,1,0,0|1,0,0]=3 266 B8R1.49 C1=CCCCCCC1 MC445004 [0,0,1,1,0,0|2,0,0]=4 267 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,0,1,1,0,0|1,0,0]=3 268 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,0,1,1,0,0|1,0,0]=3 269 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,0,1,1,0,0|1,0,0]=3 270 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,0,1,1,0,0|2,0,0]=4 271 B8R1.1 NCC1COC(=O)N1 MC104254 [0,0,1,1,0,0|2,0,0]=4 272 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,0,1,1,0,0|2,0,0]=4 273 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,0,1,1,0,0|1,0,0]=3 274 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,0,1,1,0,0|1,0,0]=3 275 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,0,1,1,0,0|2,0,0]=4 276 B8R1.38 COC(=O)C1CNC1 CS13402 [0,0,1,1,0,0|2,0,0]=4 277 B8R1.38 COC(=O)C1COC1 MC100370 [0,0,1,1,0,0|2,0,0]=4 278 B8R1.83 COC(=O)C1CC1Br MC430638 [0,0,1,1,0,0|2,0,0]=4 279 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,0,1,1,0,0|1,0,0]=3 280 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,0,1,1,0,0|1,0,0]=3 281 B8R1.7 NC(=O)C1CC=CC1 CS11184 [0,0,1,1,0,0|0,0,2]=4 282 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,0,1,1,0,0|1,0,0]=3 283 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,0,1,1,0,0|1,0,0]=3 284 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,0,1,1,0,0|1,0,0]=3 285 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,0,1,1,0,0|1,0,0]=3 286 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,0,1,1,0,0|1,0,0]=3 287 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,0,1,1,0,0|2,0,0]=4 288 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,0,1,1,0,0|2,0,0]=4 289 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,0,1,1,0,0|2,0,0]=4 290 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,0,1,1,0,0|2,0,0]=4 291 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,0,1,1,0,0|2,0,0]=4 292 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,0,1,1,0,0|2,0,0]=4 293 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,0,1,1,0,0|2,0,0]=4 294 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,0,1,1,0,0|2,0,0]=4 295 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,0,1,1,0,0|2,0,0]=4 296 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,0,1,1,0,0|2,0,0]=4 297 B8R1.31 NC1CCC1C(=O)O MC104253 [0,0,1,1,0,0|2,0,0]=4 298 B8R1.31 NC1CCC1C(=O)O MC104335 [0,0,1,1,0,0|2,0,0]=4 299 B8R1.31 NC1CCC1C(=O)O MC104421 [0,0,1,1,0,0|2,0,0]=4 300 B8R1.31 NC1CCC1C(=O)O MC105420 [0,0,1,1,0,0|2,0,0]=4 301 B8R1.34 CC(=O)SC1CNC1 MC103969 [0,0,1,1,0,0|2,0,0]=4 302 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,0,1,1,0,0|1,0,0]=3 303 B8R1.34 O=C(O)CC1CNC1 MC103917 [0,0,1,1,0,0|2,0,0]=4 304 B8R1.34 O=C(O)CC1CNC1 MC444240 [0,0,1,1,0,0|2,0,0]=4 305 B8R1.34 O=C(O)CC1COC1 MC444158 [0,0,1,1,0,0|2,0,0]=4 306 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,1,1,0,0|1,0,0]=3 307 B8R2.22 C1CC2CNCC12 MC103502 [1,0,0,1,0,0|0,0,1]=3 308 B8R2.22 C1CC2CNCC12 MC105043 [1,0,0,1,0,0|0,0,1]=3 309 B8R2.25 C1CC2CC2CN1 MC105241 [1,0,0,1,0,0|0,0,1]=3 310 B8R2.25 C1CCC2OC2C1 MC41785 [1,0,0,1,0,0|1,0,1]=4 311 B8R2.25 C1COC2CC2N1 MC106168 [1,0,0,1,0,0|1,0,1]=4 312 B8R2.18 NC1CC2CC2C1 MC103540 [0,0,0,1,1,0|1,0,1]=4 313 B8R2.34 C1CC2CCC1N2 CS10780 [0,0,0,1,1,0|1,0,1]=4 314 B8R2.34 C1CC2CCC1N2 MC113036 [0,0,0,1,1,0|1,0,1]=4 315 B10R2.2 O=C1CC2C=CCC2N1 MC105316 [0,0,0,1,0,1|0,0,1]=3 316 B10R2.32 O=C1NCC2CCNC12 MC103732 [0,0,0,1,0,1|0,0,0]=2 317 B10R2.138 C1CC2CCC(CN1)O2 MC121376 [0,0,0,1,0,1|0,0,2]=4 318 B10R2.408 C1CC2CNCC(C1)C2 MC121179 [0,0,0,1,0,1|1,0,1]=4 319 B10R2.178 O=C1CCC2CCC1N2 MC105539 [0,1,0,1,0,0|1,0,0]=3 320 B10R2.178 O=C1NCC2CCC1N2 MC105362 [0,1,0,1,0,0|0,0,0]=2 321 B10R2.42 O=C1OC(=O)C2CCC12 CS19443 [0,1,0,1,0,0|1,0,1]=4 322 B10R2.71 O=C1CC2CCC(C1)N2 CS18910 [0,1,0,1,0,0|1,0,0]=3 323 B6R1.1 C1=CCNCC1 MC444071 [1,0,0,0,1,0|0,0,2]=4 324 B6R1.1 C1=CCOCC1 MC427315 [1,0,0,0,1,0|1,0,1]=4 325 B6R1.1 C1=CCSCC1 MC427366 [1,0,0,0,1,0|1,0,1]=4 326 B6R1.1 C1=COCCC1 MC20500 [1,0,0,0,1,0|1,0,1]=4 327 B6R1.1 C1CCCCC1 MC41853 [1,0,0,0,1,0|0,0,1]=3 328 B6R1.1 C1CCNNC1 CS17893 [1,0,0,0,1,0|1,0,0]=3 329 B6R1.1 C1CC[NH2+]CC1 CS16333 [1,0,0,0,1,0|0,0,1]=3 330 B6R1.1 C1CNCCN1 MC41703 [1,0,0,0,1,0|1,0,0]=3 331 B6R1.1 C1COCCN1 MC20726 [1,0,0,0,1,0|1,0,0]=3 332 B6R1.1 C1CSCCN1 MC20759 [1,0,0,0,1,0|1,0,0]=3 333 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,0,2,0|1,0,1]=4 334 B6R1.2 CC1CCCN1 CS18299 [0,0,0,0,2,0|1,0,1]=4 335 B6R1.2 CC1CCCN1 CS18800 [0,0,0,0,2,0|1,0,1]=4 336 B6R1.2 CC1CCCN1 CS19735 [0,0,0,0,2,0|1,0,1]=4 337 B6R1.2 CC1CCCN1 CS21699 [0,0,0,0,2,0|1,0,1]=4 338 B6R1.2 CC1CCCN1 CS21700 [0,0,0,0,2,0|1,0,1]=4 339 B6R1.2 CC1CCCN1 MC428345 [0,0,0,0,2,0|1,0,1]=4 340 B6R1.2 NC1=NCCC1 CS19310 [0,0,0,0,2,0|1,0,1]=4 341 B6R1.2 O=C1CC=NN1 CS20496 [0,0,0,0,2,0|1,0,1]=4 342 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,0,2,0|0,0,0]=2 343 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,0,2,0|1,0,0]=3 344 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,0,2,0|1,0,0]=3 345 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,0,2,0|1,0,0]=3 346 B6R1.2 O=C1CNCN1 CS15654 [0,0,0,0,2,0|1,0,0]=3 347 B6R1.2 O=C1NCCN1 CS21607 [0,0,0,0,2,0|1,0,0]=3 348 B6R1.2 O=C1NCCS1 CS20525 [0,0,0,0,2,0|1,0,0]=3 349 B6R1.2 O=C1OCCO1 CS20012 [0,0,0,0,2,0|2,0,0]=4