0 B9R0.34 CCOC(=O)CC(=O)NN Z56899139 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.34 CCOC(=O)CC(C)CN Z1569708806 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.34 CCOC(=O)CN(C)C=O Z1258522254 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.34 CC[C@@H](C)NC(=O)CCN Z2939404203 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.1 C=CCCC(=O)CCC Z406377524 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.1 CCCNC(=O)CNC Z56979317 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.1 CCCOC(=O)OCC Z2375631176 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.1 CCNC(=O)NCCN Z2205958434 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.1 CCNC(=O)NCCO Z425745170 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.1 CCNCC(=O)NCC Z55849446 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.1 CCOC(=O)CCNC Z2240989662 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.1 CCOC(=O)NCCN Z1263820337 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.1 CCOC(=O)NCCO Z31725113 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.1 COCCC(=O)COC Z992968820 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.5 CC(C)CC(=O)CC#N Z360167452 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.5 CC(C)NC(=O)CCCl Z239813378 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.5 CC(C)NC(=O)CCN Z426041532 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.5 CC(C)OC(=O)CCN Z147652234 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.5 CCOC(=N)CC(C)C Z1374778812 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.5 CCOC(=O)CC(=S)N Z94602417 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.5 CCOC(=O)C[N+](=O)[O-] Z431554230 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.5 CNCC(=O)NC(C)C Z46191420 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.5 COCC(=O)OC(C)C Z53836826 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.6 CCSCCC(C)NC Z1238713350 [1,0,0,0,0,0|1,1,1]=4 26 B8R0.19 CCC(C)CC(C)NC Z5008996647 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.19 CCC(C)CC(N)CO Z1198179422 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.19 CCC(C)NC(=O)CCl Z56853748 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.19 CCC(N)CC(C)CO Z1270456881 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.19 COC(=O)CC(C)SC Z732206678 [1,0,0,0,0,0|1,0,0]=2 31 B10R0.2 CCC/C(=C/C(=O)OCC)/C Z848606456 [0,1,0,0,0,0|0,0,2]=3 32 B10R0.2 CCOC(=O)/C=C(\C)/OCC Z740905622 [0,1,0,0,0,0|0,0,2]=3 33 B10R0.2 CCOC(=O)C/C(=C/C#N)/C Z2350907383 [0,1,0,0,0,0|0,0,3]=4 34 B10R0.2 CCOC(=O)CC(=O)COC Z839817118 [0,1,0,0,0,0|1,0,1]=3 35 B10R0.2 CCOC(=O)CC(=O)OCC Z104473166 [0,1,0,0,0,0|1,0,1]=3 36 B10R0.2 CCOC(=O)CC(C)SCC Z852752806 [0,1,0,0,0,0|0,0,0]=1 37 B10R0.7 CCOC(=O)CC(C)(C)NC Z1649893467 [0,1,0,0,0,0|1,0,0]=2 38 B10R0.7 CCOC(=O)CC(C)(O)CN Z1262641133 [0,1,0,0,0,0|1,0,0]=2 39 B10R0.34 CCOC(=O)C=C(CC)CC Z1414873487 [0,1,0,0,0,0|0,0,2]=3 40 B10R0.34 CCOC(=O)C=C(SC)SC Z1688715249 [0,1,0,0,0,0|1,0,2]=4 41 B10R0.34 CCOC(=O)CC(CC)CC Z1198333210 [0,1,0,0,0,0|0,0,0]=1 42 B10R0.35 CCOC(=O)C(N)C(C)CC Z1270207946 [0,1,0,0,0,0|0,0,0]=1 43 B10R1.8 CC1CC(CC(=O)N1)CN Z2527850388 [0,0,0,1,0,0|2,0,0]=3 44 B10R1.8 CCC1CC(=O)CC(=O)C1 Z85928366 [0,0,0,1,0,0|2,0,1]=4 45 B10R1.8 CCC1CC(=O)NC(=O)C1 Z1095368879 [0,0,0,1,0,0|2,0,1]=4 46 B10R1.8 CNC1CC(OC(C1)C)C Z1516118836 [0,0,0,1,0,0|2,0,1]=4 47 B10R1.25 CC[C@@H]1CC[C@@H](NC1=O)C Z2467219756 [0,0,0,1,0,0|2,0,0]=3 48 B10R1.25 CC[C@@H]1CC[C@H](NC1=O)C Z2472577622 [0,0,0,1,0,0|2,0,0]=3 49 B10R1.35 CCN1CC(CC1=O)CO Z1201627907 [0,0,0,1,0,0|2,0,0]=3 50 B10R1.134 CCC(=O)CC(=O)C1CC1 Z361882656 [0,0,0,1,0,0|2,0,1]=4 51 B10R1.475 CCC1(CC(=O)NC1=O)C Z384975088 [0,0,0,1,0,0|2,0,1]=4 52 B10R1.485 CC1(CCCC(=O)N1)CN Z3676380655 [0,0,0,1,0,0|3,0,0]=4 53 B10R1.485 CC1(CCCC(=O)N1)CO Z1255400584 [0,0,0,1,0,0|3,0,0]=4 54 B8R0.3 CCC(C)C(=O)CC#N Z360167402 [0,0,0,0,1,0|2,0,1]=4 55 B8R0.3 CCOC(=O)C(C)C#N Z878438822 [0,0,0,0,1,0|1,0,1]=3 56 B8R0.3 CCOC(=O)C(C)CN Z1350606453 [0,0,0,0,1,0|1,0,0]=2 57 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,0,0,0,1,0|1,0,0]=2 58 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [0,0,0,0,1,0|1,0,0]=2 59 B10R0.108 CCOC(=O)CNC(=O)CC Z594035716 [0,0,0,0,0,1|1,0,1]=3 60 B10R0.108 CCOC(=O)CNC(=O)OC Z594037488 [0,0,0,0,0,1|2,0,1]=4 61 B7R0.1 CCNCCOCC Z138138014 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.1 CCOCCCCO Z993012560 [2,0,0,0,0,0|1,0,1]=4 63 B7R0.3 CCC(=O)NCCN Z1455674775 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.3 CCC(N)CCOC Z818738108 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.3 CCCCC(=O)CC Z406378226 [2,0,0,0,0,0|0,0,0]=2 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CCNC(=O)CCN Z1449756826 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.7 CCNC(=O)CCO Z975909368 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.7 CCNC(=O)CNC Z594038090 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.7 CCOC(=N)CSC Z4498865780 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.7 CCOC(=O)CC#N Z104473162 [2,0,0,0,0,0|1,0,1]=4 89 B7R0.7 CCOC(=O)CNC Z1262237263 [2,0,0,0,0,0|1,0,0]=3 90 B7R0.7 CCOC(=O)OCC Z104482516 [2,0,0,0,0,0|1,0,0]=3 91 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [2,0,0,0,0,0|1,0,1]=4 92 B7R0.2 CC(C)NC(=O)CN Z316170536 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.2 CC(C)NC(=O)CO Z431952044 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.2 CC(C)OC(=O)CN Z1245635749 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.2 CC(CN)CC(=O)O Z1436472873 [2,0,0,0,0,0|1,0,0]=3 96 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [2,0,0,0,0,0|0,0,2]=4 97 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [2,0,0,0,0,0|1,0,1]=4 98 B7R0.2 CCC(C)CC(=O)O Z352782882 [2,0,0,0,0,0|0,0,0]=2 99 B7R0.2 CCC(C)CC(C)N Z2472857681 [2,0,0,0,0,0|1,0,1]=4 100 B7R0.2 CCC(C)NC(=O)N Z56979270 [2,0,0,0,0,0|2,0,0]=4 101 B7R0.2 CCC(N)CC(=O)O Z1708090940 [2,0,0,0,0,0|1,0,0]=3 102 B7R0.2 CCN(C)CC(=O)O Z1459897022 [2,0,0,0,0,0|1,0,0]=3 103 B7R0.2 CNC(=N)CC(C)C Z4121959005 [2,0,0,0,0,0|2,0,0]=4 104 B7R0.2 CNC(=O)CC(C)N Z1457935170 [2,0,0,0,0,0|2,0,0]=4 105 B7R0.2 CNC(C)CC(=O)N Z3070230004 [2,0,0,0,0,0|2,0,0]=4 106 B7R0.2 COC(=O)CC(C)N Z169856728 [2,0,0,0,0,0|1,0,0]=3 107 B7R0.2 COC(C)CC(=O)O Z431536426 [2,0,0,0,0,0|1,0,0]=3 108 B7R0.2 NCC(O)CC(=O)O Z1255390571 [2,0,0,0,0,0|2,0,0]=4 109 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [2,0,0,0,0,0|2,0,0]=4 110 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [2,0,0,0,0,0|2,0,0]=4 111 B7R0.4 CC(C)C/C=C/CO Z1813145997 [2,0,0,0,0,0|2,0,0]=4 112 B7R0.4 CCCNCC(C)C Z90518190 [2,0,0,0,0,0|2,0,0]=4 113 B9R0.4 CCNCC(=O)NC(C)C Z46194033 [1,1,0,0,0,0|2,0,0]=4 114 B9R0.5 C=CCOCC(=O)OCC Z362807784 [1,1,0,0,0,0|0,0,2]=4 115 B9R0.5 CCCCNC(=O)CCC Z31763357 [1,1,0,0,0,0|1,0,0]=3 116 B9R0.5 CCCNCC(=O)OCC Z235653500 [1,1,0,0,0,0|0,0,0]=2 117 B9R0.5 CCNC(=O)NCCCO Z425745002 [1,1,0,0,0,0|2,0,0]=4 118 B9R0.5 CCOC(=O)CCCCN Z1741976369 [1,1,0,0,0,0|0,0,0]=2 119 B9R0.5 CCOC(=O)COCCN Z2235644494 [1,1,0,0,0,0|1,0,0]=3 120 B9R0.18 CCCNC(=O)NCCC Z44609161 [1,1,0,0,0,0|2,0,0]=4 121 B9R0.18 CCOCC(=O)NCCN Z1455675677 [1,1,0,0,0,0|2,0,0]=4 122 B9R0.18 CCOCC(=O)NOCC Z281502126 [1,1,0,0,0,0|1,0,0]=3 123 B9R0.18 O=C(CCCO)NCCO Z1203731574 [1,1,0,0,0,0|2,0,0]=4 124 B9R0.35 CCOC(=O)C(=O)OCC Z104473164 [1,1,0,0,0,0|1,0,1]=4 125 B9R0.35 CCOC(=O)N(C)CCO Z371625298 [1,1,0,0,0,0|2,0,0]=4 126 B9R0.40 CCCCN(CCC)N=O Z1198147488 [1,1,0,0,0,0|2,0,0]=4 127 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [1,1,0,0,0,0|1,0,1]=4 128 B9R0.48 CCOC(=O)CCN(C)C Z104477518 [1,1,0,0,0,0|1,0,0]=3 129 B9R0.48 CCOC(=O)CNC(=O)C Z54529208 [1,1,0,0,0,0|1,0,1]=4 130 B9R0.48 CCOC(=O)CNC(C)C Z1741967075 [1,1,0,0,0,0|1,0,0]=3 131 B9R0.48 CCOC(=O)CSC(F)F Z56981576 [1,1,0,0,0,0|2,0,0]=4 132 B9R0.66 CCOP(=O)(O)CCCN Z1713622085 [1,1,0,0,0,0|2,0,0]=4 133 B9R0.6 CCOC(=O)C(=C(C)C)F Z1424782014 [1,1,0,0,0,0|0,0,2]=4 134 B9R0.6 CCOC(=O)C(F)C(=O)C Z254254500 [1,1,0,0,0,0|1,0,1]=4 135 B9R0.6 CCOC(=O)C(N)C(C)C Z1511495073 [1,1,0,0,0,0|0,0,0]=2 136 B9R0.23 CCC(N)C(=O)OC(C)C Z3318668164 [1,1,0,0,0,0|2,0,0]=4 137 B9R0.44 CCNC(=O)OC(C)(C)C Z1157675253 [1,1,0,0,0,0|2,0,0]=4 138 B9R0.44 CCOC(=O)CC(C)(C)O Z982131236 [1,1,0,0,0,0|0,0,0]=2 139 B9R0.53 CC(C)NC(=O)NC(C)C Z94792417 [1,1,0,0,0,0|2,0,0]=4 140 B9R0.53 CC(N)CC(=O)NC(C)C Z594220276 [1,1,0,0,0,0|2,0,0]=4 141 B9R0.22 CCC(C)(C)NC(=O)CCl Z147647972 [1,1,0,0,0,0|2,0,0]=4 142 B9R0.22 CCS(=O)(=O)CC(C)NC Z1187821375 [1,1,0,0,0,0|2,0,0]=4 143 B9R0.22 COC(=O)CC(C)(C)C#N Z1901159501 [1,1,0,0,0,0|1,0,1]=4 144 B9R0.26 CCC(CC)NC(=O)CCl Z56886453 [1,1,0,0,0,0|2,0,0]=4 145 B9R0.26 COC(=O)CC(CN)OC Z1889902500 [1,1,0,0,0,0|1,0,0]=3 146 B9R0.27 C=CC(C)C(N)C(=O)OC Z1592025232 [1,1,0,0,0,0|0,0,2]=4 147 B9R0.27 CCC(=O)C(C)C(=O)OC Z839827744 [1,1,0,0,0,0|1,0,1]=4 148 B9R0.27 CCC(C)C(N)C(=O)OC Z90123616 [1,1,0,0,0,0|0,0,0]=2 149 B9R0.27 CCC(N)C(O)C(=O)OC Z2232973431 [1,1,0,0,0,0|1,0,0]=3 150 B9R0.27 CCC(O)C(C)C(=O)OC Z982132706 [1,1,0,0,0,0|1,0,0]=3 151 B9R0.42 CC(C)C(C)NC(=O)CCl Z56928920 [1,1,0,0,0,0|2,0,0]=4 152 B9R0.42 CCC(C)NC(=O)C(C)N Z271752262 [1,1,0,0,0,0|1,0,0]=3 153 B9R0.19 CCNC(=O)C(C)(C)CN Z878097870 [0,1,0,0,1,0|2,0,0]=4 154 B9R0.19 CCOC(=O)C(C)(C)NC Z477327012 [0,1,0,0,1,0|1,0,0]=3 155 B9R0.19 CCOC(=O)C(C)(O)CC Z965048274 [0,1,0,0,1,0|0,0,0]=2 156 B9R0.19 CCOC(=O)C(C)(O)CN Z1953525646 [0,1,0,0,1,0|1,0,0]=3 157 B9R0.37 CCOC(=O)C(C#N)CC Z878447228 [0,1,0,0,1,0|0,0,1]=3 158 B9R0.37 CCOC(=O)C(CC)CC Z425641124 [0,1,0,0,1,0|0,0,0]=2 159 B9R0.37 CCSC(=O)N(CC)CC Z1198149397 [0,1,0,0,1,0|1,1,0]=4 160 B11R0.43 CCOC(=O)C(=O)CC(=O)CC Z240869808 [0,1,0,0,0,1|1,0,1]=4 161 B11R0.62 CCCC(=O)CCC(=O)OCC Z838956954 [0,1,0,0,0,1|1,0,1]=4 162 B11R0.62 CCCC(C)CCC(=O)OCC Z1833617236 [0,1,0,0,0,1|0,0,0]=2 163 B11R0.62 CCOC(=O)CCC(=O)OCC Z57127474 [0,1,0,0,0,1|1,0,1]=4 164 B11R0.141 CCOC(=O)CNC(=O)C(C)C Z594035692 [0,1,0,0,0,1|1,0,1]=4 165 B11R0.187 CCOC(=O)CC(=O)C(C)OC Z1335092092 [0,1,0,0,0,1|1,0,0]=3 166 B11R0.1 CCCC(C)OC(=O)CC(C)C Z1332977285 [0,2,0,0,0,0|2,0,0]=4 167 B11R0.1 CCOC(=O)CC(=O)CC(C)C Z839817032 [0,2,0,0,0,0|1,0,1]=4 168 B11R0.5 C#CCCC(=O)CC(=O)OCC Z1513596846 [0,2,0,0,0,0|1,0,1]=4 169 B11R0.5 CCCCC(=O)CC(=O)OCC Z1255442532 [0,2,0,0,0,0|1,0,1]=4 170 B11R0.177 CCCC(=O)C(C)C(=O)OCC Z1198149929 [0,2,0,0,0,0|1,0,1]=4 171 B11R0.177 CCOC(=O)C(C)C(=O)OCC Z104494966 [0,2,0,0,0,0|1,0,1]=4 172 B11R0.177 CCOC(=O)C(N)C(=O)OCC Z212046208 [0,2,0,0,0,0|1,0,1]=4 173 B11R0.10 CCOC(=O)CC(C)(C)C(=O)O Z1262512832 [0,2,0,0,0,0|1,0,1]=4 174 B11R0.354 CCNC(=O)NC(C)(CC)CC Z1405053260 [0,2,0,0,0,0|2,0,0]=4 175 B11R0.110 CSC(C)CC(=O)N[C@H](C)CN Z2465301136 [0,2,0,0,0,0|2,0,0]=4 176 B11R0.54 CCOC(=O)/C=C(\C)/C(C)(C)C Z1291192048 [0,2,0,0,0,0|0,0,2]=4 177 B11R0.54 CCOC(=O)CC(C)C(C)(C)C Z1160198495 [0,2,0,0,0,0|0,0,0]=2 178 B11R0.58 CCOC(=O)C(O)C(C)C(=O)C Z1513682752 [0,2,0,0,0,0|0,0,1]=3 179 B11R0.242 CCOC(=O)C(Cl)(Cl)C(=O)CC Z2866865980 [0,2,0,0,0,0|1,0,1]=4 180 B11R0.119 CC(CO)NC(=O)OC(C)(C)C Z425740520 [0,2,0,0,0,0|2,0,0]=4 181 B11R0.119 C[C@H](CO)NC(=O)OC(C)(C)C Z440825094 [0,2,0,0,0,0|2,0,0]=4 182 B11R0.256 CCC(C)CS(=O)(=O)N(C)CC Z1193464552 [0,2,0,0,0,0|2,0,0]=4 183 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [1,0,0,1,0,0|2,0,0]=4 184 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [1,0,0,1,0,0|1,0,0]=3 185 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [1,0,0,1,0,0|1,0,0]=3 186 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.15 CCC1CCCNC1=O Z1203731521 [1,0,0,1,0,0|2,0,0]=4 188 B9R1.15 CCN1CCCNC1=O Z1203733831 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.15 CCN1CCNCC1=O Z975809904 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.15 CSC1CCCCC1=O Z732208578 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.33 CCNC1CCNC1=O Z1998636522 [1,0,0,1,0,0|2,0,0]=4 192 B9R1.33 O=C1CCCC1CCF Z1416228589 [1,0,0,1,0,0|2,0,0]=4 193 B9R1.33 O=C1NCCC1CCO Z1203745921 [1,0,0,1,0,0|2,0,0]=4 194 B9R1.33 O=C1OCCN1CCO Z425795034 [1,0,0,1,0,0|2,0,0]=4 195 B9R1.33 O=CCC1CCOC1=O Z1511761046 [1,0,0,1,0,0|1,0,1]=4 196 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [1,0,0,1,0,0|2,0,0]=4 197 B9R1.50 O=C1CCCCCCC1 Z104474712 [1,0,0,1,0,0|1,0,0]=3 198 B9R1.50 O=C1CCCCNCC1 Z5186715583 [1,0,0,1,0,0|2,0,0]=4 199 B9R1.50 O=C1CCNCCCN1 Z1262578602 [1,0,0,1,0,0|2,0,0]=4 200 B9R1.69 CC1CC(=O)CCN1C Z825754016 [1,0,0,1,0,0|2,0,0]=4 201 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [1,0,0,1,0,0|2,0,0]=4 202 B9R1.73 CCNC(=O)C1CNC1 Z1346385267 [1,0,0,1,0,0|2,0,0]=4 203 B9R1.73 CCNC(=O)N1CCC1 Z56326478 [1,0,0,1,0,0|2,0,0]=4 204 B9R1.75 CCOC(=O)CC1CC1 Z380123288 [1,0,0,1,0,0|0,0,0]=2 205 B9R1.75 CCOC(=O)CC1CO1 Z1255420015 [1,0,0,1,0,0|1,0,0]=3 206 B9R1.75 CCOC(=O)C[C@@H]1CO1 Z1198160302 [1,0,0,1,0,0|1,0,0]=3 207 B9R1.75 CCOC(=O)C[C@H]1CO1 Z1255395520 [1,0,0,1,0,0|1,0,0]=3 208 B9R1.100 CSCCC(=O)C1CC1 Z1201678963 [1,0,0,1,0,0|2,0,0]=4 209 B9R1.183 CCOC(=O)[C@@H]1O[C@H]1C Z4066615591 [1,0,0,1,0,0|1,0,0]=3 210 B9R1.183 CCOC(=O)[C@H]1O[C@H]1C Z1201618591 [1,0,0,1,0,0|1,0,0]=3 211 B9R1.38 CC1CC(=O)NC1(C)C Z1258978106 [1,0,0,1,0,0|2,0,0]=4 212 B9R1.41 CC(C)C1CCCC1=O Z993018308 [1,0,0,1,0,0|1,0,0]=3 213 B9R1.41 CC(C)C1CCNC1=O Z1203830076 [1,0,0,1,0,0|1,0,0]=3 214 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [1,0,0,1,0,0|1,0,0]=3 215 B9R1.11 CCC(C)C1CCCN1 Z3752630998 [1,0,0,1,0,0|2,0,0]=4 216 B9R1.11 CCC(N)C1CCOC1 Z1138843620 [1,0,0,1,0,0|1,0,1]=4 217 B9R1.89 CCC1CCCNCC1 Z425362302 [1,0,0,1,0,0|1,0,1]=4 218 B9R1.89 CCC1CCOCCN1 Z3275231194 [1,0,0,1,0,0|1,0,1]=4 219 B9R1.89 CNC1CCCOCC1 Z5794487564 [1,0,0,1,0,0|1,0,1]=4 220 B9R1.89 NCC1CCCOCC1 Z4438964521 [1,0,0,1,0,0|1,0,1]=4 221 B9R1.118 CC1(CC=CCC1)CN Z3482082462 [1,0,0,1,0,0|2,0,0]=4 222 B9R1.118 CC1(CCOCC1)CO Z1255447679 [1,0,0,1,0,0|1,0,1]=4 223 B9R1.118 CCC1(CCCNC1)C Z1198369368 [1,0,0,1,0,0|2,0,0]=4 224 B9R1.118 CCC1(CCNCC1)C Z979713968 [1,0,0,1,0,0|1,0,1]=4 225 B9R1.118 CNC1(CCOCC1)C Z3813478225 [1,0,0,1,0,0|1,0,1]=4 226 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [1,0,0,1,0,0|1,0,0]=3 227 B9R1.23 CN1CC(CC1=O)CO Z1198184730 [1,0,0,1,0,0|2,0,0]=4 228 B9R1.37 CC1NC(=O)C(C1C)C Z1509031333 [1,0,0,1,0,0|1,0,0]=3 229 B9R1.113 CC1(CC1)CC(=O)CCl Z2418118063 [1,0,0,1,0,0|1,0,0]=3 230 B9R1.113 COC(=O)CC1(CC1)N Z1820077282 [1,0,0,1,0,0|1,0,0]=3 231 B9R1.125 CC1(CCC(=O)N1)CN Z2242950987 [1,0,0,1,0,0|2,0,0]=4 232 B9R1.125 CC1(CCC(=O)N1)CO Z1258978054 [1,0,0,1,0,0|2,0,0]=4 233 B9R1.125 CC1(COC(=O)C1)CN Z4869170774 [1,0,0,1,0,0|1,0,0]=3 234 B9R1.125 CC1(COC(=O)N1)CO Z1255419299 [1,0,0,1,0,0|2,0,0]=4 235 B9R1.125 CCC1(CNC(=O)C1)C Z1203748294 [1,0,0,1,0,0|1,0,0]=3 236 B9R1.74 CCNC(=O)C1(CC1)N Z1457935649 [0,0,0,1,1,0|2,0,0]=4 237 B9R1.74 CCOC(=O)C1(CO1)C Z1651105663 [0,0,0,1,1,0|1,0,0]=3 238 B11R1.15 CCNC(=O)N1CCC(C1)N Z1696822356 [0,0,0,1,0,1|2,0,0]=4 239 B11R1.15 CCOC(=O)C1CCC(C1)N Z1431905466 [0,0,0,1,0,1|1,0,0]=3 240 B11R1.15 CCOC(=O)N1CCC(C1)N Z1708089986 [0,0,0,1,0,1|1,0,0]=3 241 B11R1.15 CCOC(=O)[C@@H]1CC[C@@H](O1)C Z2287516252 [0,0,0,1,0,1|0,0,0]=2 242 B11R1.23 CC(CN)C1CCCC(=O)N1 Z4936357811 [0,0,0,1,0,1|2,0,0]=4 243 B11R1.228 CC(CN)CN1CCCC1=O Z406339364 [0,0,0,1,0,1|2,0,0]=4 244 B11R1.1217 CCC1(CCNC(=O)CC1)C Z1354444038 [0,0,0,1,0,1|1,0,0]=3 245 B11R1.30 CCOC(=O)CC1=NCCS1 Z1889710750 [0,1,0,1,0,0|1,0,1]=4 246 B11R1.30 CCOC(=O)CC1CCCN1 Z2472857631 [0,1,0,1,0,0|0,0,0]=2 247 B11R1.34 CC1CC(CC(O1)C)CCN Z2044769471 [0,1,0,1,0,0|1,0,1]=4 248 B11R1.34 CCOC1CC(NC(C1)C)C Z4461115547 [0,1,0,1,0,0|1,0,1]=4 249 B11R1.199 CCOC(=O)C1CCCC1=O Z56907444 [0,1,0,1,0,0|1,0,1]=4 250 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N Z2235820494 [0,1,0,1,0,0|1,0,0]=3 251 B11R1.199 CCOC(=O)[C@@H]1NCC[C@@H]1O Z3035166610 [0,1,0,1,0,0|1,0,0]=3 252 B11R1.334 CCOC(=O)/C=C(\C)/C1CC1 Z796696598 [0,1,0,1,0,0|0,0,2]=4 253 B11R1.334 CCOC(=O)CC(=O)C1CC1 Z362636860 [0,1,0,1,0,0|1,0,1]=4 254 B11R1.626 CCC(C)(C)NC(=O)C1CC1 Z54128519 [0,1,0,1,0,0|2,0,0]=4 255 B11R1.1180 CCC1(CC(=O)NC(=O)C1)C Z99599698 [0,1,0,1,0,0|1,0,1]=4 256 B11R1.1180 CCC1(CC(=O)OC(=O)C1)C Z104378230 [0,1,0,1,0,0|0,0,1]=3 257 B11R1.284 NCCCC(=O)NC1CCC1 Z1450045104 [0,1,0,1,0,0|2,0,0]=4 258 B11R1.815 CCC(C)NC(=O)C1CC1C Z31442396 [0,1,0,1,0,0|2,0,0]=4 259 B11R1.490 CC(C)C1(CC(=O)OC1=O)C Z166646974 [0,1,0,1,0,0|1,0,1]=4 260 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)O Z2307580012 [0,1,0,1,0,0|1,0,1]=4 261 B11R1.1050 CCC1(CC(=O)OC1=O)CC Z223026192 [0,1,0,1,0,0|1,0,1]=4 262 B11R1.1071 CCC1(CCCC(=O)N1)CN Z5268525013 [0,1,0,1,0,0|2,0,0]=4 263 B11R1.349 CCOC(=O)C(C)C1CCC1 Z2235405429 [0,1,0,1,0,0|0,0,0]=2 264 B11R1.50 CC(C)N1CC(CC1=O)CO Z1198175683 [0,1,0,1,0,0|2,0,0]=4 265 B11R1.166 CC(=C1CC[C@H](CC1=O)C)C Z1255364872 [0,1,0,1,0,0|1,0,1]=4 266 B11R1.166 CC(C)[C@@H]1CC[C@H](CC1=O)C Z1201619246 [0,1,0,1,0,0|1,0,0]=3 267 B11R1.166 CC(C)[C@H]1CC[C@H](CC1=O)C Z1513594359 [0,1,0,1,0,0|1,0,0]=3 268 B11R1.166 CC1CCC(C(=O)C1)C(C)C Z56347247 [0,1,0,1,0,0|1,0,0]=3 269 B11R2.678 O=C1CC2CCCC(C1)C2 Z1255416520 [0,0,0,2,0,0|1,0,0]=3 270 B11R2.678 O=C1CC2CCCC(C1)N2 Z1262564614 [0,0,0,2,0,0|2,0,0]=4 271 B11R2.1478 O=C1CC2(CCC2)CCN1 Z3465807730 [0,0,0,2,0,0|1,0,0]=3 272 B11R2.1478 O=C1NC2(CCO1)CNC2 Z2442082821 [0,0,0,2,0,0|2,0,0]=4 273 B11R2.432 CN1C2CCC1CC(=O)C2 Z362847958 [0,0,0,2,0,0|2,0,0]=4 274 B11R2.696 CC12CCC(CC1)C(=O)O2 Z5185201929 [0,0,0,2,0,0|2,0,0]=4 275 B11R2.359 O=C1CC2CCC(C2)CN1 Z1203749577 [0,0,0,2,0,0|1,0,0]=3 276 B11R2.359 O=C1CC2CCC(S2)CN1 Z1509163359 [0,0,0,2,0,0|2,0,0]=4 277 B11R2.68 CC1CCC2CC1NC2=O Z1203749581 [0,0,0,2,0,0|2,0,0]=4 278 B11R2.459 O=C1OCCN1C2CNC2 Z2313092248 [0,0,0,2,0,0|2,0,0]=4 279 B11R2.120 CN1C2CCCC1C(=O)C2 Z5626300430 [0,0,0,2,0,0|2,0,0]=4 280 B7R0.5 C=C(C)C(=O)OCC Z852747724 [1,0,0,0,1,0|0,0,2]=4 281 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [1,0,0,0,1,0|2,0,0]=4 282 B7R0.5 CCNC(=O)C(C)N Z89265773 [1,0,0,0,1,0|2,0,0]=4 283 B7R0.5 CCOC(=N)C(C)C Z1623864182 [1,0,0,0,1,0|1,0,0]=3 284 B7R0.5 CCOC(=O)C(=O)C Z104472090 [1,0,0,0,1,0|1,0,1]=4 285 B7R0.5 CCOC(=O)C(F)F Z361436550 [1,0,0,0,1,0|2,0,0]=4 286 B7R0.5 COCC(=O)C(C)C Z825742022 [1,0,0,0,1,0|2,0,0]=4 287 B7R0.10 CCC(=O)C(=O)CC Z104472286 [1,0,0,0,1,0|1,0,1]=4 288 B7R0.10 CCC(=O)C(C)C#N Z385381340 [1,0,0,0,1,0|1,0,1]=4 289 B7R0.10 CCC(C)C(=N)OC Z975823972 [1,0,0,0,1,0|1,0,0]=3 290 B7R0.10 CCC(C)C(=O)CN Z4526173679 [1,0,0,0,1,0|1,0,0]=3 291 B7R0.10 CCC(C)C(O)CC Z1138194601 [1,0,0,0,1,0|0,0,2]=4 292 B7R0.10 CCC(N)C(=O)NC Z1449756338 [1,0,0,0,1,0|2,0,0]=4 293 B7R0.10 CCN(C)C(=O)CN Z409025350 [1,0,0,0,1,0|2,0,0]=4 294 B7R0.10 CCN(C)C(=O)NC Z1042069854 [1,0,0,0,1,0|2,0,0]=4 295 B7R0.10 CNC(=O)C(C)CN Z2079695013 [1,0,0,0,1,0|2,0,0]=4 296 B7R0.10 COC(=O)C(C)CN Z1357902409 [1,0,0,0,1,0|1,0,0]=3 297 B7R0.10 COC(=O)C(C)SC Z821313006 [1,0,0,0,1,0|1,0,0]=3 298 B7R0.10 COC(=O)C(N)CF Z1255489945 [1,0,0,0,1,0|2,0,0]=4 299 B7R0.10 COC(=O)C(N)CO Z104479480 [1,0,0,0,1,0|2,0,0]=4 300 B7R0.10 COC(=O)C(N)CS Z56917374 [1,0,0,0,1,0|2,0,0]=4 301 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [1,0,0,0,1,0|2,0,0]=4 302 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [1,0,0,0,1,0|2,0,0]=4 303 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [1,0,0,0,1,0|2,0,0]=4