0 B6R1.2 BrC1=CC=CO1 MCULE-5734064318 [0,0,0,0,0,0|1,0,3]=4 1 B6R1.2 BrC1=CC=NO1 MCULE-9219362534 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [0,0,0,0,0,0|2,0,0]=2 3 B6R1.2 BrC1=CN=CO1 MCULE-5651145478 [0,0,0,0,0,0|2,0,2]=4 4 B6R1.2 BrC1=CN=CO1 MCULE-8656599411 [0,0,0,0,0,0|2,0,2]=4 5 B6R1.2 BrC1=COCC1 MCULE-8057569313 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 BrC1=NC=CO1 MCULE-2104886923 [0,0,0,0,0,0|2,0,2]=4 7 B6R1.2 BrC1=NC=CO1 MCULE-2745860961 [0,0,0,0,0,0|2,0,2]=4 8 B6R1.2 BrC1=NN=CO1 MCULE-9908278798 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 BrC1CCCC1 MCULE-9383923023 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 BrC1CCNC1 MCULE-4841543716 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 BrC1CCNC1 MCULE-4954951045 [0,0,0,0,0,0|3,0,1]=4 12 B6R1.2 BrC1CCNC1 MCULE-7176123276 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 BrC1CCOC1 MCULE-7037144528 [0,0,0,0,0,0|3,0,1]=4 14 B6R1.2 BrC1CCSC1 MCULE-6663716947 [0,0,0,0,0,0|3,0,1]=4 15 B6R1.2 Br[C@@H]1CCNC1 MCULE-1681494552 [0,0,0,0,0,0|3,0,1]=4 16 B6R1.2 Br[C@@H]1CCNC1 MCULE-1764777534 [0,0,0,0,0,0|3,0,1]=4 17 B6R1.2 Br[C@@H]1CCNC1 MCULE-2455801012 [0,0,0,0,0,0|3,0,1]=4 18 B6R1.2 Br[C@@H]1CCNC1 MCULE-8945784733 [0,0,0,0,0,0|3,0,1]=4 19 B6R1.2 Br[C@H]1CCNC1 MCULE-5014033994 [0,0,0,0,0,0|3,0,1]=4 20 B6R1.2 Br[C@H]1CCNC1 MCULE-5217617272 [0,0,0,0,0,0|3,0,1]=4 21 B6R1.2 Br[C@H]1CCNC1 MCULE-8899453530 [0,0,0,0,0,0|3,0,1]=4 22 B6R1.2 Br[C@H]1CCNC1 MCULE-9461718131 [0,0,0,0,0,0|3,0,1]=4 23 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [0,0,0,0,0,0|3,0,1]=4 24 B6R1.2 C1(CCNC1)C MCULE-2542646403 [0,0,0,0,0,0|3,0,1]=4 25 B6R1.2 C1(CCNC1)C MCULE-4538835016 [0,0,0,0,0,0|3,0,1]=4 26 B6R1.2 C1(CCNC1)F MCULE-2259566125 [0,0,0,0,0,0|3,0,1]=4 27 B6R1.2 C1(CCNC1)F MCULE-3325393466 [0,0,0,0,0,0|3,0,1]=4 28 B6R1.2 C1(CCNC1)O MCULE-2676539647 [0,0,0,0,0,0|2,0,2]=4 29 B6R1.2 C1(CCNC1)O MCULE-4228466615 [0,0,0,0,0,0|2,0,2]=4 30 B6R1.2 C1(CCOC1)I MCULE-4877322062 [0,0,0,0,0,0|3,0,1]=4 31 B6R1.2 C1(CCOC1)N MCULE-2221007915 [0,0,0,0,0,0|3,0,1]=4 32 B6R1.2 C1(CCOC1)N MCULE-3972931474 [0,0,0,0,0,0|3,0,1]=4 33 B6R1.2 C1(CCOC1)O MCULE-3631749536 [0,0,0,0,0,0|2,0,2]=4 34 B6R1.2 C=C1CCCC1 MCULE-4115373196 [0,0,0,0,0,0|2,0,0]=2 35 B6R1.2 C=C1CCNC1 MCULE-7982953073 [0,0,0,0,0,0|3,0,0]=3 36 B6R1.2 C=C1CCNC1 MCULE-8428731599 [0,0,0,0,0,0|3,0,0]=3 37 B6R1.2 C=C1CCSC1 MCULE-7042571473 [0,0,0,0,0,0|3,0,0]=3 38 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [0,0,0,0,0,0|2,0,2]=4 39 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [0,0,0,0,0,0|1,0,3]=4 40 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [0,0,0,0,0,0|2,0,2]=4 41 B6R1.2 CC1=CCCC1 MCULE-8508688474 [0,0,0,0,0,0|2,0,0]=2 42 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,0,0,0,0,0|1,0,1]=2 43 B6R1.2 CC1=CCNC1 MCULE-5892113847 [0,0,0,0,0,0|3,0,0]=3 44 B6R1.2 CC1=CCNC1 MCULE-9225220351 [0,0,0,0,0,0|3,0,0]=3 45 B6R1.2 CC1=CN=CO1 MCULE-4609626879 [0,0,0,0,0,0|2,0,2]=4 46 B6R1.2 CC1=NC=CO1 MCULE-7894525701 [0,0,0,0,0,0|2,0,2]=4 47 B6R1.2 CC1=NCCC1 MCULE-5009170423 [0,0,0,0,0,0|2,0,0]=2 48 B6R1.2 CC1=NCCN1 MCULE-4787238872 [0,0,0,0,0,0|3,0,0]=3 49 B6R1.2 CC1=NCCO1 MCULE-8564633040 [0,0,0,0,0,0|2,0,0]=2 50 B6R1.2 CC1=NCCS1 MCULE-1701303405 [0,0,0,0,0,0|2,1,0]=3 51 B6R1.2 CC1=NN=CO1 MCULE-5138394000 [0,0,0,0,0,0|3,0,1]=4 52 B6R1.2 CC1=NNCC1 MCULE-1758510182 [0,0,0,0,0,0|3,0,0]=3 53 B6R1.2 CC1C=CCC1 MCULE-1638534048 [0,0,0,0,0,0|2,0,2]=4 54 B6R1.2 CC1CCCC1 MCULE-4702116068 [0,0,0,0,0,0|2,0,1]=3 55 B6R1.2 CC1CCCN1 MCULE-4853624560 [0,0,0,0,0,0|2,0,1]=3 56 B6R1.2 CC1CCCN1 MCULE-5939948024 [0,0,0,0,0,0|2,0,1]=3 57 B6R1.2 CC1CCCN1 MCULE-6020011445 [0,0,0,0,0,0|2,0,1]=3 58 B6R1.2 CC1CCCN1 MCULE-7855346849 [0,0,0,0,0,0|2,0,1]=3 59 B6R1.2 CC1CCCO1 MCULE-2526138687 [0,0,0,0,0,0|1,0,1]=2 60 B6R1.2 CC1CCCS1 MCULE-8372499972 [0,0,0,0,0,0|1,1,1]=3 61 B6R1.2 CC1CCNC1 MCULE-6494098173 [0,0,0,0,0,0|3,0,1]=4 62 B6R1.2 CC1CCNC1 MCULE-8260364514 [0,0,0,0,0,0|3,0,1]=4 63 B6R1.2 CC1CCOC1 MCULE-6424683416 [0,0,0,0,0,0|3,0,1]=4 64 B6R1.2 CC1CCSC1 MCULE-7445511318 [0,0,0,0,0,0|3,0,1]=4 65 B6R1.2 CC1COCO1 MCULE-9332316279 [0,0,0,0,0,0|2,0,1]=3 66 B6R1.2 CC1NCCS1 MCULE-8457840375 [0,0,0,0,0,0|2,1,1]=4 67 B6R1.2 CC1OCCO1 MCULE-2943809591 [0,0,0,0,0,0|2,0,1]=3 68 B6R1.2 CC1SCCS1 MCULE-5011453273 [0,0,0,0,0,0|2,1,1]=4 69 B6R1.2 CN1CCCC1 MCULE-5387702231 [0,0,0,0,0,0|3,0,0]=3 70 B6R1.2 CN1CCNC1 MCULE-8059197564 [0,0,0,0,0,0|4,0,0]=4 71 B6R1.2 CN1CCNC1 MCULE-9818601515 [0,0,0,0,0,0|4,0,0]=4 72 B6R1.2 CN1CCOC1 MCULE-5504672404 [0,0,0,0,0,0|4,0,0]=4 73 B6R1.2 C[C@@H]1CCCN1 MCULE-1038329474 [0,0,0,0,0,0|2,0,1]=3 74 B6R1.2 C[C@@H]1CCCN1 MCULE-1829999308 [0,0,0,0,0,0|2,0,1]=3 75 B6R1.2 C[C@@H]1CCCN1 MCULE-8644278041 [0,0,0,0,0,0|2,0,1]=3 76 B6R1.2 C[C@@H]1CCCN1 MCULE-9243990647 [0,0,0,0,0,0|2,0,1]=3 77 B6R1.2 C[C@@H]1CCNC1 MCULE-5345577321 [0,0,0,0,0,0|3,0,1]=4 78 B6R1.2 C[C@@H]1CCNC1 MCULE-5749945455 [0,0,0,0,0,0|3,0,1]=4 79 B6R1.2 C[C@@H]1CCNC1 MCULE-8967606188 [0,0,0,0,0,0|3,0,1]=4 80 B6R1.2 C[C@@H]1CCNC1 MCULE-8996756392 [0,0,0,0,0,0|3,0,1]=4 81 B6R1.2 C[C@H]1CCCN1 MCULE-2078024663 [0,0,0,0,0,0|2,0,1]=3 82 B6R1.2 C[C@H]1CCCN1 MCULE-3113877345 [0,0,0,0,0,0|2,0,1]=3 83 B6R1.2 C[C@H]1CCCN1 MCULE-3426869473 [0,0,0,0,0,0|2,0,1]=3 84 B6R1.2 C[C@H]1CCCN1 MCULE-5093266679 [0,0,0,0,0,0|2,0,1]=3 85 B6R1.2 C[C@H]1CCNC1 MCULE-1866792897 [0,0,0,0,0,0|3,0,1]=4 86 B6R1.2 C[C@H]1CCNC1 MCULE-3817248567 [0,0,0,0,0,0|3,0,1]=4 87 B6R1.2 C[C@H]1CCNC1 MCULE-7938243226 [0,0,0,0,0,0|3,0,1]=4 88 B6R1.2 C[C@H]1CCNC1 MCULE-8895875203 [0,0,0,0,0,0|3,0,1]=4 89 B6R1.2 C[S+]1CCCC1 MCULE-6294888335 [0,0,0,0,0,0|3,0,0]=3 90 B6R1.2 C[S+]1CCCC1 MCULE-8432227262 [0,0,0,0,0,0|3,0,0]=3 91 B6R1.2 ClC1=CC=CO1 MCULE-3538307465 [0,0,0,0,0,0|1,0,3]=4 92 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [0,0,0,0,0,0|2,0,0]=2 93 B6R1.2 ClC1=NC=CO1 MCULE-1860416745 [0,0,0,0,0,0|2,0,2]=4 94 B6R1.2 ClC1=NC=CO1 MCULE-4765528658 [0,0,0,0,0,0|2,0,2]=4 95 B6R1.2 ClC1=NCCN1 MCULE-2043711677 [0,0,0,0,0,0|3,0,0]=3 96 B6R1.2 ClC1=NCCN1 MCULE-2296476673 [0,0,0,0,0,0|3,0,0]=3 97 B6R1.2 ClC1CCCC1 MCULE-3285928655 [0,0,0,0,0,0|2,0,1]=3 98 B6R1.2 ClC1CCNC1 MCULE-5659561118 [0,0,0,0,0,0|3,0,1]=4 99 B6R1.2 ClC1CCNC1 MCULE-6180477494 [0,0,0,0,0,0|3,0,1]=4 100 B6R1.2 ClC1CCNC1 MCULE-6964859207 [0,0,0,0,0,0|3,0,1]=4 101 B6R1.2 ClC1CCNC1 MCULE-8389509440 [0,0,0,0,0,0|3,0,1]=4 102 B6R1.2 ClC1CCOC1 MCULE-6903762147 [0,0,0,0,0,0|3,0,1]=4 103 B6R1.2 ClP1OCCO1 MCULE-2550894251 [0,0,0,0,0,0|3,0,0]=3 104 B6R1.2 Cl[C@@H]1CCNC1 MCULE-3218152098 [0,0,0,0,0,0|3,0,1]=4 105 B6R1.2 Cl[C@@H]1CCNC1 MCULE-6728755007 [0,0,0,0,0,0|3,0,1]=4 106 B6R1.2 Cl[C@@H]1CCNC1 MCULE-7223308304 [0,0,0,0,0,0|3,0,1]=4 107 B6R1.2 Cl[C@@H]1CCNC1 MCULE-9699335522 [0,0,0,0,0,0|3,0,1]=4 108 B6R1.2 Cl[C@H]1CCNC1 MCULE-1696981588 [0,0,0,0,0,0|3,0,1]=4 109 B6R1.2 Cl[C@H]1CCNC1 MCULE-4535592624 [0,0,0,0,0,0|3,0,1]=4 110 B6R1.2 Cl[C@H]1CCNC1 MCULE-4850151938 [0,0,0,0,0,0|3,0,1]=4 111 B6R1.2 Cl[C@H]1CCNC1 MCULE-8947782807 [0,0,0,0,0,0|3,0,1]=4 112 B6R1.2 FC1CCCC1 MCULE-1416016970 [0,0,0,0,0,0|2,0,1]=3 113 B6R1.2 FC1CCNC1 MCULE-3601135445 [0,0,0,0,0,0|3,0,1]=4 114 B6R1.2 FC1CCNC1 MCULE-8578750940 [0,0,0,0,0,0|3,0,1]=4 115 B6R1.2 F[C@@H]1CCNC1 MCULE-4408739710 [0,0,0,0,0,0|3,0,1]=4 116 B6R1.2 F[C@@H]1CCNC1 MCULE-5678498844 [0,0,0,0,0,0|3,0,1]=4 117 B6R1.2 F[C@@H]1CCNC1 MCULE-5679054116 [0,0,0,0,0,0|3,0,1]=4 118 B6R1.2 F[C@@H]1CCNC1 MCULE-7029204180 [0,0,0,0,0,0|3,0,1]=4 119 B6R1.2 F[C@H]1CCCN1 MCULE-8612757365 [0,0,0,0,0,0|2,0,1]=3 120 B6R1.2 F[C@H]1CCNC1 MCULE-2854402872 [0,0,0,0,0,0|3,0,1]=4 121 B6R1.2 F[C@H]1CCNC1 MCULE-4493640982 [0,0,0,0,0,0|3,0,1]=4 122 B6R1.2 F[C@H]1CCNC1 MCULE-7441383471 [0,0,0,0,0,0|3,0,1]=4 123 B6R1.2 F[C@H]1CCNC1 MCULE-7946601643 [0,0,0,0,0,0|3,0,1]=4 124 B6R1.2 IC1=CC=CO1 MCULE-6467830719 [0,0,0,0,0,0|1,0,3]=4 125 B6R1.2 IC1=CCCC1 MCULE-5953451970 [0,0,0,0,0,0|2,0,0]=2 126 B6R1.2 IC1=COCC1 MCULE-3076361502 [0,0,0,0,0,0|3,0,0]=3 127 B6R1.2 IC1=NC=CO1 MCULE-2254947090 [0,0,0,0,0,0|2,0,2]=4 128 B6R1.2 IC1CCCC1 MCULE-2705379744 [0,0,0,0,0,0|2,0,1]=3 129 B6R1.2 IC1CCNC1 MCULE-3058541551 [0,0,0,0,0,0|3,0,1]=4 130 B6R1.2 IC1CCNC1 MCULE-5326267139 [0,0,0,0,0,0|3,0,1]=4 131 B6R1.2 IC1CCOC1 MCULE-1379775972 [0,0,0,0,0,0|3,0,1]=4 132 B6R1.2 I[C@@H]1CCNC1 MCULE-3800433724 [0,0,0,0,0,0|3,0,1]=4 133 B6R1.2 I[C@@H]1CCNC1 MCULE-3857825133 [0,0,0,0,0,0|3,0,1]=4 134 B6R1.2 I[C@@H]1CCNC1 MCULE-7781267462 [0,0,0,0,0,0|3,0,1]=4 135 B6R1.2 I[C@@H]1CCNC1 MCULE-7979843810 [0,0,0,0,0,0|3,0,1]=4 136 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [0,0,0,0,0,0|3,0,1]=4 137 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [0,0,0,0,0,0|3,0,1]=4 138 B6R1.2 I[C@H]1CCNC1 MCULE-1218289403 [0,0,0,0,0,0|3,0,1]=4 139 B6R1.2 I[C@H]1CCNC1 MCULE-7469922084 [0,0,0,0,0,0|3,0,1]=4 140 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [0,0,0,0,0,0|3,0,1]=4 141 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [0,0,0,0,0,0|3,0,1]=4 142 B6R1.2 N=C1CCCS1 MCULE-4228855265 [0,0,0,0,0,0|1,1,0]=2 143 B6R1.2 N=C1CCCS1 MCULE-7496124035 [0,0,0,0,0,0|1,1,0]=2 144 B6R1.2 N=C1NCCN1 MCULE-4983030911 [0,0,0,0,0,0|3,0,0]=3 145 B6R1.2 NC1=CC=CO1 MCULE-2421139965 [0,0,0,0,0,0|1,0,3]=4 146 B6R1.2 NC1=CC=NO1 MCULE-3638275568 [0,0,0,0,0,0|2,0,2]=4 147 B6R1.2 NC1=CCNN1 MCULE-1539779543 [0,0,0,0,0,0|3,0,1]=4 148 B6R1.2 NC1=CCNN1 MCULE-3460056890 [0,0,0,0,0,0|3,0,1]=4 149 B6R1.2 NC1=CCNN1 MCULE-5423983278 [0,0,0,0,0,0|3,0,1]=4 150 B6R1.2 NC1=CN=CO1 MCULE-4492961257 [0,0,0,0,0,0|2,0,2]=4 151 B6R1.2 NC1=NC=CO1 MCULE-7316590930 [0,0,0,0,0,0|2,0,2]=4 152 B6R1.2 NC1=NCCC1 MCULE-6089369366 [0,0,0,0,0,0|2,0,0]=2 153 B6R1.2 NC1=NCCC1 MCULE-8979618464 [0,0,0,0,0,0|2,0,0]=2 154 B6R1.2 NC1=NCCN1 MCULE-1788173657 [0,0,0,0,0,0|3,0,0]=3 155 B6R1.2 NC1=NCCN1 MCULE-9804694628 [0,0,0,0,0,0|3,0,0]=3 156 B6R1.2 NC1=NCCO1 MCULE-1257431295 [0,0,0,0,0,0|2,0,0]=2 157 B6R1.2 NC1=NCCO1 MCULE-9912511107 [0,0,0,0,0,0|2,0,0]=2 158 B6R1.2 NC1=NCCS1 MCULE-3397143190 [0,0,0,0,0,0|2,1,0]=3 159 B6R1.2 NC1=NCCS1 MCULE-9466856269 [0,0,0,0,0,0|2,1,0]=3 160 B6R1.2 NC1=NCCS1 MCULE-9984008966 [0,0,0,0,0,0|2,1,0]=3 161 B6R1.2 NC1=NN=CO1 MCULE-9653146681 [0,0,0,0,0,0|3,0,1]=4 162 B6R1.2 NC1=NNCC1 MCULE-4665265929 [0,0,0,0,0,0|3,0,0]=3 163 B6R1.2 NC1=NOCC1 MCULE-4971355735 [0,0,0,0,0,0|3,0,0]=3 164 B6R1.2 NC1C=CCC1 MCULE-2537724380 [0,0,0,0,0,0|2,0,2]=4 165 B6R1.2 NC1C=CCC1 MCULE-5017993489 [0,0,0,0,0,0|2,0,2]=4 166 B6R1.2 NC1CCCC1 MCULE-2292038009 [0,0,0,0,0,0|2,0,1]=3 167 B6R1.2 NC1CCNC1 MCULE-2237528072 [0,0,0,0,0,0|3,0,1]=4 168 B6R1.2 NC1CCNC1 MCULE-5167920547 [0,0,0,0,0,0|3,0,1]=4 169 B6R1.2 NC1CCNC1 MCULE-5837785719 [0,0,0,0,0,0|3,0,1]=4 170 B6R1.2 NC1CCOC1 MCULE-1276945018 [0,0,0,0,0,0|3,0,1]=4 171 B6R1.2 NC1CCOC1 MCULE-8146259495 [0,0,0,0,0,0|3,0,1]=4 172 B6R1.2 NC1CCSC1 MCULE-8972229387 [0,0,0,0,0,0|3,0,1]=4 173 B6R1.2 NC1CCSC1 MCULE-9186640582 [0,0,0,0,0,0|3,0,1]=4 174 B6R1.2 NN1CCCC1 MCULE-1562593919 [0,0,0,0,0,0|3,0,0]=3 175 B6R1.2 NN1CCCC1 MCULE-2311855036 [0,0,0,0,0,0|3,0,0]=3 176 B6R1.2 NN1CCCC1 MCULE-5484008222 [0,0,0,0,0,0|3,0,0]=3 177 B6R1.2 N[C@@H]1CCNC1 MCULE-6043697974 [0,0,0,0,0,0|3,0,1]=4 178 B6R1.2 N[C@@H]1CCNC1 MCULE-8912264932 [0,0,0,0,0,0|3,0,1]=4 179 B6R1.2 N[C@@H]1CCNC1 MCULE-9183647019 [0,0,0,0,0,0|3,0,1]=4 180 B6R1.2 N[C@@H]1CCNC1 MCULE-9608760183 [0,0,0,0,0,0|3,0,1]=4 181 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [0,0,0,0,0,0|3,0,1]=4 182 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [0,0,0,0,0,0|3,0,1]=4 183 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [0,0,0,0,0,0|3,0,1]=4 184 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [0,0,0,0,0,0|3,0,1]=4 185 B6R1.2 N[C@H]1CCNC1 MCULE-3573455998 [0,0,0,0,0,0|3,0,1]=4 186 B6R1.2 N[C@H]1CCNC1 MCULE-3988158945 [0,0,0,0,0,0|3,0,1]=4 187 B6R1.2 N[C@H]1CCNC1 MCULE-4526890579 [0,0,0,0,0,0|3,0,1]=4 188 B6R1.2 N[C@H]1CCNC1 MCULE-8548728927 [0,0,0,0,0,0|3,0,1]=4 189 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [0,0,0,0,0,0|3,0,1]=4 190 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [0,0,0,0,0,0|3,0,1]=4 191 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [0,0,0,0,0,0|3,0,1]=4 192 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [0,0,0,0,0,0|3,0,1]=4 193 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [0,0,0,0,0,0|1,0,1]=2 194 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [0,0,0,0,0,0|1,0,2]=3 195 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [0,0,0,0,0,0|0,0,2]=2 196 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [0,0,0,0,0,0|0,1,2]=3 197 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [0,0,0,0,0,0|2,0,2]=4 198 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [0,0,0,0,0,0|2,0,1]=3 199 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [0,0,0,0,0,0|2,0,2]=4 200 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [0,0,0,0,0,0|1,0,2]=3 201 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [0,0,0,0,0,0|2,0,1]=3 202 B6R1.2 O=C1CCCC1 MCULE-9455227735 [0,0,0,0,0,0|1,0,0]=1 203 B6R1.2 O=C1CCCN1 MCULE-3061780794 [0,0,0,0,0,0|1,0,0]=1 204 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,0,0,0,0,0|0,0,0]=0 205 B6R1.2 O=C1CCCS1 MCULE-5361654550 [0,0,0,0,0,0|0,1,0]=1 206 B6R1.2 O=C1CCNC1 MCULE-2947789259 [0,0,0,0,0,0|2,0,0]=2 207 B6R1.2 O=C1CCNC1 MCULE-7192595052 [0,0,0,0,0,0|2,0,0]=2 208 B6R1.2 O=C1CCNN1 MCULE-7030953666 [0,0,0,0,0,0|2,0,0]=2 209 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,0,0,0,0,0|2,0,0]=2 210 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,0,0,0,0,0|2,0,0]=2 211 B6R1.2 O=C1CCSC1 MCULE-2059655624 [0,0,0,0,0,0|2,0,0]=2 212 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [0,0,0,0,0,0|2,0,0]=2 213 B6R1.2 O=C1CNCN1 MCULE-2645891847 [0,0,0,0,0,0|2,0,0]=2 214 B6R1.2 O=C1CNCN1 MCULE-9269137129 [0,0,0,0,0,0|2,0,0]=2 215 B6R1.2 O=C1CSCN1 MCULE-3946660854 [0,0,0,0,0,0|2,0,0]=2 216 B6R1.2 O=C1N=CN=N1 MCULE-3721166402 [0,0,0,0,0,0|3,0,1]=4 217 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [0,0,0,0,0,0|2,0,2]=4 218 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [0,0,0,0,0,0|1,0,2]=3 219 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [0,0,0,0,0,0|1,1,2]=4 220 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [0,0,0,0,0,0|3,0,1]=4 221 B6R1.2 O=C1NCCN1 MCULE-9806791551 [0,0,0,0,0,0|2,0,0]=2 222 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,0,0,0,0,0|1,0,0]=1 223 B6R1.2 O=C1NCCS1 MCULE-6732478086 [0,0,0,0,0,0|1,1,0]=2 224 B6R1.2 O=C1NN=NN1 MCULE-2843823671 [0,0,0,0,0,0|4,0,0]=4 225 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [0,0,0,0,0,0|1,0,2]=3 226 B6R1.2 O=C1OCCO1 MCULE-9493253045 [0,0,0,0,0,0|1,0,0]=1 227 B6R1.2 O=S1CCCC1 MCULE-2442126780 [0,0,0,0,0,0|2,0,0]=2 228 B6R1.2 O=S1OCCO1 MCULE-5773173321 [0,0,0,0,0,0|2,0,0]=2 229 B6R1.2 OC1=CC=CO1 MCULE-7591676996 [0,0,0,0,0,0|0,0,4]=4 230 B6R1.2 OC1=NN=CO1 MCULE-5444445027 [0,0,0,0,0,0|2,0,2]=4 231 B6R1.2 OC1C=CCC1 MCULE-3857764876 [0,0,0,0,0,0|1,0,3]=4 232 B6R1.2 OC1C=CCO1 MCULE-4636930669 [0,0,0,0,0,0|0,0,4]=4 233 B6R1.2 OC1CCCC1 MCULE-1758440264 [0,0,0,0,0,0|1,0,2]=3 234 B6R1.2 OC1CCCN1 MCULE-4787168972 [0,0,0,0,0,0|1,0,2]=3 235 B6R1.2 OC1CCCO1 MCULE-9632627344 [0,0,0,0,0,0|0,0,2]=2 236 B6R1.2 OC1CCNC1 MCULE-4307402606 [0,0,0,0,0,0|2,0,2]=4 237 B6R1.2 OC1CCNC1 MCULE-6745480350 [0,0,0,0,0,0|2,0,2]=4 238 B6R1.2 OC1CCOC1 MCULE-4469581028 [0,0,0,0,0,0|2,0,2]=4 239 B6R1.2 OC1CCSC1 MCULE-9796808599 [0,0,0,0,0,0|2,0,2]=4 240 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [0,0,0,0,0,0|2,0,2]=4 241 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [0,0,0,0,0,0|2,0,2]=4 242 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [0,0,0,0,0,0|2,0,2]=4 243 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [0,0,0,0,0,0|2,0,2]=4 244 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [0,0,0,0,0,0|2,0,2]=4 245 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [0,0,0,0,0,0|2,0,2]=4 246 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [0,0,0,0,0,0|2,0,2]=4 247 B6R1.2 O[C@@H]1CCSC1 MCULE-3532754705 [0,0,0,0,0,0|2,0,2]=4 248 B6R1.2 O[C@@H]1CCSC1 MCULE-5800407146 [0,0,0,0,0,0|2,0,2]=4 249 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [0,0,0,0,0,0|2,0,2]=4 250 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [0,0,0,0,0,0|2,0,2]=4 251 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [0,0,0,0,0,0|2,0,2]=4 252 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [0,0,0,0,0,0|2,0,2]=4 253 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [0,0,0,0,0,0|2,0,2]=4 254 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [0,0,0,0,0,0|2,0,2]=4 255 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [0,0,0,0,0,0|2,0,0]=2 256 B6R1.2 S=C1CCCN1 MCULE-1089290822 [0,0,0,0,0,0|1,1,0]=2 257 B6R1.2 S=C1NC=CO1 MCULE-6706918798 [0,0,0,0,0,0|1,1,2]=4 258 B6R1.2 S=C1NCCN1 MCULE-3300710815 [0,0,0,0,0,0|2,1,0]=3 259 B6R1.2 S=C1SCCS1 MCULE-3003900032 [0,0,0,0,0,0|1,2,0]=3 260 B6R1.2 SC1=NCCO1 MCULE-6684545723 [0,0,0,0,0,0|1,1,0]=2 261 B6R1.2 SC1=NCCS1 MCULE-6840772268 [0,0,0,0,0,0|1,2,0]=3 262 B6R1.2 SC1=NN=CO1 MCULE-5180923337 [0,0,0,0,0,0|2,1,1]=4 263 B6R1.2 SC1CCCC1 MCULE-5932400506 [0,0,0,0,0,0|1,1,1]=3 264 B6R1.2 SC1CCOC1 MCULE-9247906418 [0,0,0,0,0,0|2,1,1]=4 265 B6R1.2 SC1CCSC1 MCULE-5955380477 [0,0,0,0,0,0|2,1,1]=4 266 B6R1.2 [NH3+]C1CC[NH2+]C1 MCULE-3374468196 [0,0,0,0,0,0|3,0,1]=4 267 B6R1.2 [TlH2]C1=CC=CC1 MCULE-7402896981 [0,0,0,0,0,0|2,0,2]=4 268 B5R1.1 B1CCOO1 MCULE-4859234466 [1,0,0,0,0,0|2,0,0]=3 269 B5R1.1 C1=CCC=C1 MCULE-1776679581 [1,0,0,0,0,0|1,0,2]=4 270 B5R1.1 C1=CCCC1 MCULE-8785635218 [1,0,0,0,0,0|1,0,0]=2 271 B5R1.1 C1=CCNC1 MCULE-4645888757 [1,0,0,0,0,0|2,0,0]=3 272 B5R1.1 C1=CCNC1 MCULE-7386427096 [1,0,0,0,0,0|2,0,0]=3 273 B5R1.1 C1=CCOC1 MCULE-1252378718 [1,0,0,0,0,0|2,0,0]=3 274 B5R1.1 C1=CCSC1 MCULE-7848219599 [1,0,0,0,0,0|2,0,0]=3 275 B5R1.1 C1=COC=C1 MCULE-6076190179 [1,0,0,0,0,0|0,0,3]=4 276 B5R1.1 C1=COC=N1 MCULE-4239266587 [1,0,0,0,0,0|1,0,2]=4 277 B5R1.1 C1=COCC1 MCULE-7714726225 [1,0,0,0,0,0|0,0,1]=2 278 B5R1.1 C1=CON=C1 MCULE-4177650025 [1,0,0,0,0,0|1,0,2]=4 279 B5R1.1 C1=NCCN1 MCULE-6281004177 [1,0,0,0,0,0|2,0,0]=3 280 B5R1.1 C1=NN=CO1 MCULE-2512252204 [1,0,0,0,0,0|2,0,1]=4 281 B5R1.1 C1=NNCC1 MCULE-2270087414 [1,0,0,0,0,0|2,0,0]=3 282 B5R1.1 C1CCNC1 MCULE-2816679267 [1,0,0,0,0,0|1,0,1]=3 283 B5R1.1 C1CCNC1 MCULE-8439725600 [1,0,0,0,0,0|1,0,1]=3 284 B5R1.1 C1CCNC1 MCULE-8653165010 [1,0,0,0,0,0|1,0,1]=3 285 B5R1.1 C1CCNC1 MCULE-9053007443 [1,0,0,0,0,0|1,0,1]=3 286 B5R1.1 C1CCOC1 MCULE-3873245085 [1,0,0,0,0,0|0,0,1]=2 287 B5R1.1 C1CCSC1 MCULE-4519380555 [1,0,0,0,0,0|0,1,1]=3 288 B5R1.1 C1CNCN1 MCULE-6666768806 [1,0,0,0,0,0|2,0,1]=4 289 B5R1.1 C1CNNC1 MCULE-9192384720 [1,0,0,0,0,0|2,0,0]=3 290 B5R1.1 C1CNNC1 MCULE-9418244562 [1,0,0,0,0,0|2,0,0]=3 291 B5R1.1 C1CNOC1 MCULE-3922840312 [1,0,0,0,0,0|1,0,0]=2 292 B5R1.1 C1CNOC1 MCULE-6084499894 [1,0,0,0,0,0|1,0,0]=2 293 B5R1.1 C1COCN1 MCULE-4693733872 [1,0,0,0,0,0|1,0,1]=3 294 B5R1.1 C1COCO1 MCULE-3967810235 [1,0,0,0,0,0|1,0,1]=3 295 B5R1.1 C1CSCN1 MCULE-1445529876 [1,0,0,0,0,0|1,1,1]=4 296 B5R1.1 C1CSCN1 MCULE-8646299838 [1,0,0,0,0,0|1,1,1]=4 297 B5R1.1 C1CSCS1 MCULE-2954642463 [1,0,0,0,0,0|1,1,1]=4 298 B7R1.1 BrCC1=CCCC1 MCULE-9208619526 [0,1,0,0,0,0|2,0,0]=3 299 B7R1.1 BrCC1CCCC1 MCULE-2472505847 [0,1,0,0,0,0|2,0,1]=4 300 B7R1.1 BrCC1CCCN1 MCULE-2152950124 [0,1,0,0,0,0|2,0,1]=4 301 B7R1.1 BrCC1CCCN1 MCULE-6083580584 [0,1,0,0,0,0|2,0,1]=4 302 B7R1.1 BrCC1CCCN1 MCULE-8116807965 [0,1,0,0,0,0|2,0,1]=4 303 B7R1.1 BrCC1CCCO1 MCULE-6801721633 [0,1,0,0,0,0|1,0,1]=3 304 B7R1.1 BrCC1OCCO1 MCULE-4843503125 [0,1,0,0,0,0|2,0,1]=4 305 B7R1.1 BrC[C@@H]1CCCN1 MCULE-2609238545 [0,1,0,0,0,0|2,0,1]=4 306 B7R1.1 BrC[C@@H]1CCCN1 MCULE-4300877722 [0,1,0,0,0,0|2,0,1]=4 307 B7R1.1 BrC[C@@H]1CCCN1 MCULE-7501559292 [0,1,0,0,0,0|2,0,1]=4 308 B7R1.1 BrC[C@@H]1CCCN1 MCULE-9528927495 [0,1,0,0,0,0|2,0,1]=4 309 B7R1.1 BrC[C@H]1CCCO1 MCULE-3468061610 [0,1,0,0,0,0|1,0,1]=3 310 B7R1.1 BrC[C@H]1CCCO1 MCULE-9305844681 [0,1,0,0,0,0|1,0,1]=3 311 B7R1.1 C#CC1CCCC1 MCULE-2058689962 [0,1,0,0,0,0|2,0,1]=4 312 B7R1.1 C#CC1CCCN1 MCULE-2312235714 [0,1,0,0,0,0|2,0,1]=4 313 B7R1.1 C#CC1CCCN1 MCULE-2368649911 [0,1,0,0,0,0|2,0,1]=4 314 B7R1.1 C#CC1CCCO1 MCULE-5501627253 [0,1,0,0,0,0|1,0,1]=3 315 B7R1.1 C#C[C@@H]1CCCN1 MCULE-1635908608 [0,1,0,0,0,0|2,0,1]=4 316 B7R1.1 C#C[C@@H]1CCCN1 MCULE-4766446168 [0,1,0,0,0,0|2,0,1]=4 317 B7R1.1 C#C[C@@H]1CCCN1 MCULE-7265052825 [0,1,0,0,0,0|2,0,1]=4 318 B7R1.1 C#C[C@@H]1CCCN1 MCULE-8496158135 [0,1,0,0,0,0|2,0,1]=4 319 B7R1.1 C#C[C@H]1CCCN1 MCULE-1874586489 [0,1,0,0,0,0|2,0,1]=4 320 B7R1.1 C#C[C@H]1CCCN1 MCULE-8338634355 [0,1,0,0,0,0|2,0,1]=4 321 B7R1.1 C1(CCCN1)CF MCULE-2705678622 [0,1,0,0,0,0|2,0,1]=4 322 B7R1.1 C1(CCCN1)CF MCULE-3175080744 [0,1,0,0,0,0|2,0,1]=4 323 B7R1.1 C1(CCCN1)CN MCULE-3568349121 [0,1,0,0,0,0|2,0,1]=4 324 B7R1.1 C1(CCCN1)CN MCULE-9944820727 [0,1,0,0,0,0|2,0,1]=4 325 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [0,1,0,0,0,0|1,0,2]=4 326 B7R1.1 C=CC1CCCC1 MCULE-6144532155 [0,1,0,0,0,0|2,0,1]=4 327 B7R1.1 C=CC1CCCN1 MCULE-5736974496 [0,1,0,0,0,0|2,0,1]=4 328 B7R1.1 C=CC1CCCN1 MCULE-7626074228 [0,1,0,0,0,0|2,0,1]=4 329 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [0,1,0,0,0,0|2,0,0]=3 330 B7R1.1 CC=C1CCNC1 MCULE-9077980338 [0,1,0,0,0,0|3,0,0]=4 331 B7R1.1 CC=C1CCNC1 MCULE-9519724391 [0,1,0,0,0,0|3,0,0]=4 332 B7R1.1 CCC1=CCCC1 MCULE-5154730597 [0,1,0,0,0,0|2,0,0]=3 333 B7R1.1 CCC1=NCCN1 MCULE-4105881010 [0,1,0,0,0,0|3,0,0]=4 334 B7R1.1 CCC1=NCCO1 MCULE-3838550511 [0,1,0,0,0,0|2,0,0]=3 335 B7R1.1 CCC1CCCC1 MCULE-1974854934 [0,1,0,0,0,0|2,0,1]=4 336 B7R1.1 CCC1CCCN1 MCULE-1775351089 [0,1,0,0,0,0|2,0,1]=4 337 B7R1.1 CCC1CCCN1 MCULE-2065682250 [0,1,0,0,0,0|2,0,1]=4 338 B7R1.1 CCC1CCCN1 MCULE-8326168982 [0,1,0,0,0,0|2,0,1]=4 339 B7R1.1 CCC1CCCN1 MCULE-9831560442 [0,1,0,0,0,0|2,0,1]=4 340 B7R1.1 CCC1OCCO1 MCULE-3434568584 [0,1,0,0,0,0|2,0,1]=4 341 B7R1.1 CCN1CCCC1 MCULE-3590039255 [0,1,0,0,0,0|3,0,0]=4 342 B7R1.1 CC[C@@H]1CCCN1 MCULE-1829706908 [0,1,0,0,0,0|2,0,1]=4 343 B7R1.1 CC[C@@H]1CCCN1 MCULE-6310895621 [0,1,0,0,0,0|2,0,1]=4 344 B7R1.1 CC[C@@H]1CCCN1 MCULE-6770634475 [0,1,0,0,0,0|2,0,1]=4 345 B7R1.1 CC[C@@H]1CCCN1 MCULE-9259891597 [0,1,0,0,0,0|2,0,1]=4 346 B7R1.1 CC[C@H]1CCCN1 MCULE-2347458277 [0,1,0,0,0,0|2,0,1]=4 347 B7R1.1 CC[C@H]1CCCN1 MCULE-3796565634 [0,1,0,0,0,0|2,0,1]=4 348 B7R1.1 CC[C@H]1CCCN1 MCULE-6193768639 [0,1,0,0,0,0|2,0,1]=4 349 B7R1.1 CC[C@H]1CCCN1 MCULE-9679619003 [0,1,0,0,0,0|2,0,1]=4 350 B7R1.1 CNC1=NCCN1 MCULE-8411755728 [0,1,0,0,0,0|3,0,0]=4 351 B7R1.1 CNC1=NCCN1 MCULE-9337116685 [0,1,0,0,0,0|3,0,0]=4 352 B7R1.1 CNC1CCCC1 MCULE-1391832163 [0,1,0,0,0,0|2,0,1]=4 353 B7R1.1 CNC1CCCC1 MCULE-8242451793 [0,1,0,0,0,0|2,0,1]=4 354 B7R1.1 COC1=CCCC1 MCULE-6260649761 [0,1,0,0,0,0|1,0,1]=3 355 B7R1.1 COC1=CCCN1 MCULE-6283476666 [0,1,0,0,0,0|1,0,2]=4 356 B7R1.1 COC1=NCCC1 MCULE-2625712954 [0,1,0,0,0,0|1,0,1]=3 357 B7R1.1 COC1=NCCN1 MCULE-4640802770 [0,1,0,0,0,0|2,0,1]=4 358 B7R1.1 COC1CCCC1 MCULE-7539347010 [0,1,0,0,0,0|1,0,2]=4 359 B7R1.1 COC1CCCO1 MCULE-8363423240 [0,1,0,0,0,0|0,0,2]=3 360 B7R1.1 COC1OCCO1 MCULE-9935127218 [0,1,0,0,0,0|1,0,2]=4 361 B7R1.1 CSC1=NCCN1 MCULE-2508776031 [0,1,0,0,0,0|2,1,0]=4 362 B7R1.1 CSC1=NCCN1 MCULE-3552473411 [0,1,0,0,0,0|2,1,0]=4 363 B7R1.1 CSC1=NCCN1 MCULE-6313819915 [0,1,0,0,0,0|2,1,0]=4 364 B7R1.1 CSC1=NCCS1 MCULE-1809491558 [0,1,0,0,0,0|1,2,0]=4 365 B7R1.1 CSC1=NCCS1 MCULE-6651129000 [0,1,0,0,0,0|1,2,0]=4 366 B7R1.1 ClCC1=NCCN1 MCULE-1496461910 [0,1,0,0,0,0|3,0,0]=4 367 B7R1.1 ClCC1=NCCN1 MCULE-6501608310 [0,1,0,0,0,0|3,0,0]=4 368 B7R1.1 ClCC1=NCCO1 MCULE-8789331570 [0,1,0,0,0,0|2,0,0]=3 369 B7R1.1 ClCC1=NOCC1 MCULE-8714304275 [0,1,0,0,0,0|3,0,0]=4 370 B7R1.1 ClCC1CCCC1 MCULE-7652893931 [0,1,0,0,0,0|2,0,1]=4 371 B7R1.1 ClCC1CCCN1 MCULE-3656101962 [0,1,0,0,0,0|2,0,1]=4 372 B7R1.1 ClCC1CCCN1 MCULE-9792407426 [0,1,0,0,0,0|2,0,1]=4 373 B7R1.1 ClCC1CCCO1 MCULE-9816764842 [0,1,0,0,0,0|1,0,1]=3 374 B7R1.1 ClCC1OCCO1 MCULE-2722734837 [0,1,0,0,0,0|2,0,1]=4 375 B7R1.1 ClC[C@@H]1CCCN1 MCULE-1712418178 [0,1,0,0,0,0|2,0,1]=4 376 B7R1.1 ClC[C@@H]1CCCN1 MCULE-2092217865 [0,1,0,0,0,0|2,0,1]=4 377 B7R1.1 ClC[C@@H]1CCCN1 MCULE-4473753787 [0,1,0,0,0,0|2,0,1]=4 378 B7R1.1 ClC[C@@H]1CCCN1 MCULE-9545872560 [0,1,0,0,0,0|2,0,1]=4 379 B7R1.1 ClC[C@H]1CCCN1 MCULE-1186865731 [0,1,0,0,0,0|2,0,1]=4 380 B7R1.1 ClC[C@H]1CCCN1 MCULE-3107383611 [0,1,0,0,0,0|2,0,1]=4 381 B7R1.1 FCC1CCCN1 MCULE-3216030316 [0,1,0,0,0,0|2,0,1]=4 382 B7R1.1 FCC1CCCN1 MCULE-4540803550 [0,1,0,0,0,0|2,0,1]=4 383 B7R1.1 FC[C@@H]1CCCN1 MCULE-2463314208 [0,1,0,0,0,0|2,0,1]=4 384 B7R1.1 FC[C@@H]1CCCN1 MCULE-3740139569 [0,1,0,0,0,0|2,0,1]=4 385 B7R1.1 FC[C@@H]1CCCN1 MCULE-6899304468 [0,1,0,0,0,0|2,0,1]=4 386 B7R1.1 FC[C@@H]1CCCN1 MCULE-9916936373 [0,1,0,0,0,0|2,0,1]=4 387 B7R1.1 FC[C@H]1CCCN1 MCULE-1380365453 [0,1,0,0,0,0|2,0,1]=4 388 B7R1.1 FC[C@H]1CCCN1 MCULE-1512160666 [0,1,0,0,0,0|2,0,1]=4 389 B7R1.1 FC[C@H]1CCCN1 MCULE-2904385734 [0,1,0,0,0,0|2,0,1]=4 390 B7R1.1 FC[C@H]1CCCN1 MCULE-9837641384 [0,1,0,0,0,0|2,0,1]=4 391 B7R1.1 ICC1CCCC1 MCULE-5940886897 [0,1,0,0,0,0|2,0,1]=4 392 B7R1.1 ICC1CCCN1 MCULE-3467617934 [0,1,0,0,0,0|2,0,1]=4 393 B7R1.1 ICC1CCCN1 MCULE-7784862806 [0,1,0,0,0,0|2,0,1]=4 394 B7R1.1 ICC1CCCO1 MCULE-3981288245 [0,1,0,0,0,0|1,0,1]=3 395 B7R1.1 IC[C@@H]1CCCN1 MCULE-4843756038 [0,1,0,0,0,0|2,0,1]=4 396 B7R1.1 IC[C@@H]1CCCN1 MCULE-8213667136 [0,1,0,0,0,0|2,0,1]=4 397 B7R1.1 N#CC1=CCCC1 MCULE-5654080085 [0,1,0,0,0,0|2,0,0]=3 398 B7R1.1 N#CC1=NOCC1 MCULE-6070275701 [0,1,0,0,0,0|3,0,0]=4 399 B7R1.1 N#CC1CCCC1 MCULE-1484517612 [0,1,0,0,0,0|2,0,1]=4 400 B7R1.1 N#CC1CCCN1 MCULE-1423410021 [0,1,0,0,0,0|2,0,1]=4 401 B7R1.1 N#CC1CCCN1 MCULE-2656253866 [0,1,0,0,0,0|2,0,1]=4 402 B7R1.1 N#CC1CCCN1 MCULE-4406196575 [0,1,0,0,0,0|2,0,1]=4 403 B7R1.1 N#CC1CCCN1 MCULE-7456938108 [0,1,0,0,0,0|2,0,1]=4 404 B7R1.1 N#CC1CCCN1 MCULE-7786777677 [0,1,0,0,0,0|2,0,1]=4 405 B7R1.1 N#CC1CCCN1 MCULE-9566371551 [0,1,0,0,0,0|2,0,1]=4 406 B7R1.1 N#CC1CCCO1 MCULE-6657753631 [0,1,0,0,0,0|1,0,1]=3 407 B7R1.1 N#CC1CCCS1 MCULE-6372148360 [0,1,0,0,0,0|1,1,1]=4 408 B7R1.1 N#CN1CCCC1 MCULE-2010942719 [0,1,0,0,0,0|3,0,0]=4 409 B7R1.1 N#C[C@@H]1CCCN1 MCULE-4099952481 [0,1,0,0,0,0|2,0,1]=4 410 B7R1.1 N#C[C@@H]1CCCN1 MCULE-4644423856 [0,1,0,0,0,0|2,0,1]=4 411 B7R1.1 N#C[C@@H]1CCCN1 MCULE-5675394665 [0,1,0,0,0,0|2,0,1]=4 412 B7R1.1 N#C[C@@H]1CCCN1 MCULE-5881469353 [0,1,0,0,0,0|2,0,1]=4 413 B7R1.1 N#C[C@@H]1CCCN1 MCULE-8875516240 [0,1,0,0,0,0|2,0,1]=4 414 B7R1.1 N#C[C@@H]1CCCN1 MCULE-9993553976 [0,1,0,0,0,0|2,0,1]=4 415 B7R1.1 N#C[C@H]1CCCN1 MCULE-4472756314 [0,1,0,0,0,0|2,0,1]=4 416 B7R1.1 N#C[C@H]1CCCN1 MCULE-6157392186 [0,1,0,0,0,0|2,0,1]=4 417 B7R1.1 N#C[C@H]1CCCN1 MCULE-6672062231 [0,1,0,0,0,0|2,0,1]=4 418 B7R1.1 N#C[C@H]1CCCN1 MCULE-7774660242 [0,1,0,0,0,0|2,0,1]=4 419 B7R1.1 N#C[C@H]1CCCN1 MCULE-7910694136 [0,1,0,0,0,0|2,0,1]=4 420 B7R1.1 N#C[C@H]1CCCN1 MCULE-8564583246 [0,1,0,0,0,0|2,0,1]=4 421 B7R1.1 NCC1CCCC1 MCULE-3629796849 [0,1,0,0,0,0|2,0,1]=4 422 B7R1.1 NCC1CCCC1 MCULE-8453900433 [0,1,0,0,0,0|2,0,1]=4 423 B7R1.1 NCC1CCCN1 MCULE-4764684364 [0,1,0,0,0,0|2,0,1]=4 424 B7R1.1 NCC1CCCN1 MCULE-8971980286 [0,1,0,0,0,0|2,0,1]=4 425 B7R1.1 NCC1CCCO1 MCULE-2797516262 [0,1,0,0,0,0|1,0,1]=3 426 B7R1.1 NCC1CCCO1 MCULE-5970677903 [0,1,0,0,0,0|1,0,1]=3 427 B7R1.1 NCC1CCCO1 MCULE-6166235034 [0,1,0,0,0,0|1,0,1]=3 428 B7R1.1 NCC1CCCS1 MCULE-5278325816 [0,1,0,0,0,0|1,1,1]=4 429 B7R1.1 NCC1COCO1 MCULE-1657884847 [0,1,0,0,0,0|2,0,1]=4 430 B7R1.1 NCC1COCO1 MCULE-9310217083 [0,1,0,0,0,0|2,0,1]=4 431 B7R1.1 NCC1OCCO1 MCULE-4813269641 [0,1,0,0,0,0|2,0,1]=4 432 B7R1.1 NC[C@@H]1CCCN1 MCULE-4726727563 [0,1,0,0,0,0|2,0,1]=4 433 B7R1.1 NC[C@@H]1CCCN1 MCULE-7513400460 [0,1,0,0,0,0|2,0,1]=4 434 B7R1.1 NC[C@@H]1CCCN1 MCULE-7622329174 [0,1,0,0,0,0|2,0,1]=4 435 B7R1.1 NC[C@@H]1CCCN1 MCULE-8573395464 [0,1,0,0,0,0|2,0,1]=4 436 B7R1.1 NC[C@@H]1CCCO1 MCULE-1103643839 [0,1,0,0,0,0|1,0,1]=3 437 B7R1.1 NC[C@@H]1CCCO1 MCULE-1402571993 [0,1,0,0,0,0|1,0,1]=3 438 B7R1.1 NC[C@@H]1CCCO1 MCULE-1448381041 [0,1,0,0,0,0|1,0,1]=3 439 B7R1.1 NC[C@@H]1CCCO1 MCULE-6664501749 [0,1,0,0,0,0|1,0,1]=3 440 B7R1.1 NC[C@H]1CCCN1 MCULE-2813912286 [0,1,0,0,0,0|2,0,1]=4 441 B7R1.1 NC[C@H]1CCCN1 MCULE-5505144820 [0,1,0,0,0,0|2,0,1]=4 442 B7R1.1 NC[C@H]1CCCN1 MCULE-7325312327 [0,1,0,0,0,0|2,0,1]=4 443 B7R1.1 NC[C@H]1CCCN1 MCULE-7708925831 [0,1,0,0,0,0|2,0,1]=4 444 B7R1.1 NC[C@H]1CCCO1 MCULE-1196018690 [0,1,0,0,0,0|1,0,1]=3 445 B7R1.1 NC[C@H]1CCCO1 MCULE-2037746017 [0,1,0,0,0,0|1,0,1]=3 446 B7R1.1 NC[C@H]1CCCO1 MCULE-3470426685 [0,1,0,0,0,0|1,0,1]=3 447 B7R1.1 NC[C@H]1CCCO1 MCULE-9918683284 [0,1,0,0,0,0|1,0,1]=3 448 B7R1.1 NNC1=NCCN1 MCULE-2311438625 [0,1,0,0,0,0|3,0,0]=4 449 B7R1.1 NNC1=NCCN1 MCULE-7559191980 [0,1,0,0,0,0|3,0,0]=4 450 B7R1.1 NNC1=NCCN1 MCULE-9981367264 [0,1,0,0,0,0|3,0,0]=4 451 B7R1.1 NNC1=NCCS1 MCULE-1838294249 [0,1,0,0,0,0|2,1,0]=4 452 B7R1.1 NNC1=NCCS1 MCULE-6956519805 [0,1,0,0,0,0|2,1,0]=4 453 B7R1.1 NNC1=NCCS1 MCULE-9752634474 [0,1,0,0,0,0|2,1,0]=4 454 B7R1.1 NNC1CCCC1 MCULE-1363058529 [0,1,0,0,0,0|2,0,1]=4 455 B7R1.1 NNC1CCCC1 MCULE-2803402819 [0,1,0,0,0,0|2,0,1]=4 456 B7R1.1 NNC1CCCC1 MCULE-5556380186 [0,1,0,0,0,0|2,0,1]=4 457 B7R1.1 NOC1CCCC1 MCULE-1504814106 [0,1,0,0,0,0|1,0,2]=4 458 B7R1.1 NOC1CCCC1 MCULE-1973418119 [0,1,0,0,0,0|1,0,2]=4 459 B7R1.1 O/N=C/1\CCCN1 MCULE-9494233692 [0,1,0,0,0,0|1,0,1]=3 460 B7R1.1 O=CC1=CC=CO1 MCULE-5757882837 [0,1,0,0,0,0|0,0,3]=4 461 B7R1.1 O=CC1=CC=NO1 MCULE-9603824695 [0,1,0,0,0,0|1,0,2]=4 462 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [0,1,0,0,0,0|1,0,0]=2 463 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [0,1,0,0,0,0|0,0,1]=2 464 B7R1.1 O=CC1=CCSC1 MCULE-9591036145 [0,1,0,0,0,0|2,0,0]=3 465 B7R1.1 O=CC1=CN=CO1 MCULE-7235306258 [0,1,0,0,0,0|1,0,2]=4 466 B7R1.1 O=CC1=NC=CO1 MCULE-6908871529 [0,1,0,0,0,0|1,0,2]=4 467 B7R1.1 O=CC1=NN=CO1 MCULE-2019186249 [0,1,0,0,0,0|2,0,1]=4 468 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [0,1,0,0,0,0|1,0,1]=3 469 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [0,1,0,0,0,0|0,0,1]=2 470 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [0,1,0,0,0,0|2,0,1]=4 471 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [0,1,0,0,0,0|2,0,1]=4 472 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [0,1,0,0,0,0|2,0,1]=4 473 B7R1.1 O=CN1CCCC1 MCULE-1922854302 [0,1,0,0,0,0|2,0,0]=3 474 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [0,1,0,0,0,0|2,0,1]=4 475 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [0,1,0,0,0,0|2,0,1]=4 476 B7R1.1 O=NN1CCCC1 MCULE-8449068120 [0,1,0,0,0,0|2,0,0]=3 477 B7R1.1 O=S=C1NC=CO1 MCULE-4980537256 [0,1,0,0,0,0|1,0,2]=4 478 B7R1.1 OCC1=CCCC1 MCULE-8850570361 [0,1,0,0,0,0|1,0,1]=3 479 B7R1.1 OCC1=NCCO1 MCULE-9432593363 [0,1,0,0,0,0|1,0,1]=3 480 B7R1.1 OCC1CCCC1 MCULE-2985338933 [0,1,0,0,0,0|1,0,2]=4 481 B7R1.1 OCC1CCCN1 MCULE-1016922679 [0,1,0,0,0,0|1,0,2]=4 482 B7R1.1 OCC1CCCN1 MCULE-8224535891 [0,1,0,0,0,0|1,0,2]=4 483 B7R1.1 OCC1CCCO1 MCULE-5877114547 [0,1,0,0,0,0|0,0,2]=3 484 B7R1.1 OCC1CCCO1 MCULE-5884880244 [0,1,0,0,0,0|0,0,2]=3 485 B7R1.1 OCC1CCCS1 MCULE-6106081414 [0,1,0,0,0,0|0,1,2]=4 486 B7R1.1 OCC1COCO1 MCULE-3470022742 [0,1,0,0,0,0|1,0,2]=4 487 B7R1.1 OCC1OCCO1 MCULE-8334027179 [0,1,0,0,0,0|1,0,2]=4 488 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [0,1,0,0,0,0|1,0,2]=4 489 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [0,1,0,0,0,0|1,0,2]=4 490 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [0,1,0,0,0,0|1,0,2]=4 491 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [0,1,0,0,0,0|1,0,2]=4 492 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [0,1,0,0,0,0|0,0,2]=3 493 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [0,1,0,0,0,0|0,0,2]=3 494 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [0,1,0,0,0,0|1,0,2]=4 495 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [0,1,0,0,0,0|1,0,2]=4 496 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [0,1,0,0,0,0|1,0,2]=4 497 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [0,1,0,0,0,0|1,0,2]=4 498 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [0,1,0,0,0,0|0,0,2]=3 499 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [0,1,0,0,0,0|0,0,2]=3 500 B7R1.1 ON=C1CCCC1 MCULE-9338449832 [0,1,0,0,0,0|1,0,1]=3 501 B7R1.1 ONC1CCCC1 MCULE-1143510043 [0,1,0,0,0,0|1,0,2]=4 502 B7R1.1 ONC1CCCC1 MCULE-7548854169 [0,1,0,0,0,0|1,0,2]=4 503 B7R1.1 SCC1CCCC1 MCULE-7973872166 [0,1,0,0,0,0|1,1,1]=4 504 B7R1.1 SCC1CCCO1 MCULE-5962232488 [0,1,0,0,0,0|0,1,1]=3 505 B7R1.2 C1(CCN(C1)C)N MCULE-3665102712 [0,1,0,0,0,0|3,0,0]=4 506 B7R1.2 C1(CCN(C1)C)O MCULE-5142099784 [0,1,0,0,0,0|3,0,0]=4 507 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,1,0,0,0,0|1,0,0]=2 508 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,1,0,0,0,0|1,0,0]=2 509 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,1,0,0,0,0|1,0,0]=2 510 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,1,0,0,0,0|1,0,0]=2 511 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [0,1,0,0,0,0|0,0,3]=4 512 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,1,0,0,0,0|0,0,1]=2 513 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,1,0,0,0,0|1,0,1]=3 514 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,1,0,0,0,0|1,0,2]=4 515 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,1,0,0,0,0|0,0,2]=3 516 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,1,0,0,0,0|0,0,2]=3 517 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,1,0,0,0,0|0,0,2]=3 518 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,1,0,0,0,0|0,1,2]=4 519 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [0,1,0,0,0,0|2,0,0]=3 520 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [0,1,0,0,0,0|2,0,0]=3 521 B7R1.2 CC1=NC(CS1)C MCULE-8843957654 [0,1,0,0,0,0|2,1,0]=4 522 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [0,1,0,0,0,0|2,0,1]=4 523 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,1,0,0,0,0|1,0,1]=3 524 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,1,0,0,0,0|1,0,1]=3 525 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,1,0,0,0,0|2,0,1]=4 526 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,1,0,0,0,0|0,0,2]=3 527 B7R1.2 CC1CC(=NO1)N MCULE-8353889650 [0,1,0,0,0,0|3,0,0]=4 528 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,1,0,0,0,0|2,0,0]=3 529 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,1,0,0,0,0|2,0,0]=3 530 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,1,0,0,0,0|2,0,0]=3 531 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,1,0,0,0,0|2,0,0]=3 532 B7R1.2 CC1CC(CN1)F MCULE-5211772527 [0,1,0,0,0,0|2,0,1]=4 533 B7R1.2 CC1CC(CN1)F MCULE-6845898511 [0,1,0,0,0,0|2,0,1]=4 534 B7R1.2 CC1CC(CN1)O MCULE-5630063862 [0,1,0,0,0,0|2,0,1]=4 535 B7R1.2 CC1CC(CN1)O MCULE-7427731937 [0,1,0,0,0,0|2,0,1]=4 536 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [0,1,0,0,0,0|1,0,1]=3 537 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [0,1,0,0,0,0|1,0,1]=3 538 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [0,1,0,0,0,0|1,0,1]=3 539 B7R1.2 CC1CC(CS1)N MCULE-2886562999 [0,1,0,0,0,0|1,1,1]=4 540 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [0,1,0,0,0,0|2,0,0]=3 541 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [0,1,0,0,0,0|2,0,0]=3 542 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,1,0,0,0,0|1,0,0]=2 543 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,1,0,0,0,0|1,0,0]=2 544 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,1,0,0,0,0|1,0,0]=2 545 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,1,0,0,0,0|0,0,0]=1 546 B7R1.2 CC1CCC(C1)Br MCULE-3834311364 [0,1,0,0,0,0|2,0,1]=4 547 B7R1.2 CC1CCC(C1)Cl MCULE-7669391571 [0,1,0,0,0,0|2,0,1]=4 548 B7R1.2 CC1CCC(C1)N MCULE-3681457592 [0,1,0,0,0,0|2,0,1]=4 549 B7R1.2 CC1CCC(C1)N MCULE-8238390084 [0,1,0,0,0,0|2,0,1]=4 550 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [0,1,0,0,0,0|1,0,2]=4 551 B7R1.2 CC1CCC(N1)C MCULE-8652550641 [0,1,0,0,0,0|2,0,1]=4 552 B7R1.2 CC1CCC(N1)C MCULE-9945795318 [0,1,0,0,0,0|2,0,1]=4 553 B7R1.2 CC1CCC(O1)C MCULE-6766843462 [0,1,0,0,0,0|1,0,1]=3 554 B7R1.2 CC1CC[C@H](N1)C MCULE-7537248866 [0,1,0,0,0,0|2,0,1]=4 555 B7R1.2 CC1CC[C@H](N1)C MCULE-8839413924 [0,1,0,0,0,0|2,0,1]=4 556 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [0,1,0,0,0,0|2,0,0]=3 557 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [0,1,0,0,0,0|2,0,0]=3 558 B7R1.2 CC1CN=C(S1)N MCULE-5641549444 [0,1,0,0,0,0|2,1,0]=4 559 B7R1.2 CC1CN=C(S1)N MCULE-9229369376 [0,1,0,0,0,0|2,1,0]=4 560 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,1,0,0,0,0|1,0,0]=2 561 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,1,0,0,0,0|2,0,0]=3 562 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,1,0,0,0,0|1,0,0]=2 563 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [0,1,0,0,0,0|2,1,0]=4 564 B7R1.2 CC1CNC(=S)S1 MCULE-1131079445 [0,1,0,0,0,0|1,2,0]=4 565 B7R1.2 CC1CNC(C1)C MCULE-3051496448 [0,1,0,0,0,0|2,0,1]=4 566 B7R1.2 CC1CNC(C1)C MCULE-9324057254 [0,1,0,0,0,0|2,0,1]=4 567 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,1,0,0,0,0|0,0,0]=1 568 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,1,0,0,0,0|1,0,0]=2 569 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,1,0,0,0,0|1,0,0]=2 570 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [0,1,0,0,0,0|1,1,0]=3 571 B7R1.2 CC1COC(O1)C MCULE-5670718739 [0,1,0,0,0,0|2,0,1]=4 572 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [0,1,0,0,0,0|2,0,0]=3 573 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,1,0,0,0,0|1,1,0]=3 574 B7R1.2 CC1CSC(=S)N1 MCULE-9334196132 [0,1,0,0,0,0|1,2,0]=4 575 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,1,0,0,0,0|2,0,0]=3 576 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,1,0,0,0,0|2,0,0]=3 577 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,1,0,0,0,0|2,0,0]=3 578 B7R1.2 CN1CCC(C1)Br MCULE-3493698258 [0,1,0,0,0,0|3,0,0]=4 579 B7R1.2 CN1CCC(C1)Cl MCULE-4289154186 [0,1,0,0,0,0|3,0,0]=4 580 B7R1.2 CN1CCC(C1)I MCULE-7694112270 [0,1,0,0,0,0|3,0,0]=4 581 B7R1.2 CN1CCC(C1)N MCULE-1293214424 [0,1,0,0,0,0|3,0,0]=4 582 B7R1.2 CN1CCC(C1)N MCULE-1923071969 [0,1,0,0,0,0|3,0,0]=4 583 B7R1.2 CN1CCC(C1)N MCULE-8906644208 [0,1,0,0,0,0|3,0,0]=4 584 B7R1.2 CN1CCC(C1)O MCULE-7899934177 [0,1,0,0,0,0|3,0,0]=4 585 B7R1.2 CN1CC[C@@H](C1)Br MCULE-3557435415 [0,1,0,0,0,0|3,0,0]=4 586 B7R1.2 CN1CC[C@@H](C1)Cl MCULE-2590203116 [0,1,0,0,0,0|3,0,0]=4 587 B7R1.2 CN1CC[C@@H](C1)I MCULE-9659903055 [0,1,0,0,0,0|3,0,0]=4 588 B7R1.2 CN1CC[C@@H](C1)N MCULE-2789588017 [0,1,0,0,0,0|3,0,0]=4 589 B7R1.2 CN1CC[C@@H](C1)N MCULE-3064746432 [0,1,0,0,0,0|3,0,0]=4 590 B7R1.2 CN1CC[C@@H](C1)N MCULE-3417580502 [0,1,0,0,0,0|3,0,0]=4 591 B7R1.2 CN1CC[C@@H](C1)N MCULE-4507441839 [0,1,0,0,0,0|3,0,0]=4 592 B7R1.2 CN1CC[C@@H](C1)N MCULE-7304925156 [0,1,0,0,0,0|3,0,0]=4 593 B7R1.2 CN1CC[C@@H](C1)N MCULE-8752975101 [0,1,0,0,0,0|3,0,0]=4 594 B7R1.2 CN1CC[C@@H](C1)O MCULE-1236945758 [0,1,0,0,0,0|3,0,0]=4 595 B7R1.2 CN1CC[C@@H](C1)O MCULE-4275527304 [0,1,0,0,0,0|3,0,0]=4 596 B7R1.2 CN1CC[C@H](C1)Br MCULE-5126641770 [0,1,0,0,0,0|3,0,0]=4 597 B7R1.2 CN1CC[C@H](C1)Cl MCULE-6900681925 [0,1,0,0,0,0|3,0,0]=4 598 B7R1.2 CN1CC[C@H](C1)I MCULE-5536628497 [0,1,0,0,0,0|3,0,0]=4 599 B7R1.2 CN1CC[C@H](C1)N MCULE-1557911450 [0,1,0,0,0,0|3,0,0]=4 600 B7R1.2 CN1CC[C@H](C1)N MCULE-2070741351 [0,1,0,0,0,0|3,0,0]=4 601 B7R1.2 CN1CC[C@H](C1)N MCULE-4287469497 [0,1,0,0,0,0|3,0,0]=4 602 B7R1.2 CN1CC[C@H](C1)N MCULE-6191225667 [0,1,0,0,0,0|3,0,0]=4 603 B7R1.2 CN1CC[C@H](C1)N MCULE-7699833473 [0,1,0,0,0,0|3,0,0]=4 604 B7R1.2 CN1CC[C@H](C1)N MCULE-8419212613 [0,1,0,0,0,0|3,0,0]=4 605 B7R1.2 CN1CC[C@H](C1)O MCULE-6665002754 [0,1,0,0,0,0|3,0,0]=4 606 B7R1.2 CN1CC[C@H](C1)O MCULE-8080661086 [0,1,0,0,0,0|3,0,0]=4 607 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,1,0,0,0,0|2,0,0]=3 608 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,1,0,0,0,0|2,0,0]=3 609 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,1,0,0,0,0|1,0,0]=2 610 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,1,0,0,0,0|1,0,0]=2 611 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,1,0,0,0,0|0,0,0]=1 612 B7R1.2 C[C@@H]1CC[C@@H](C1)N MCULE-9471729241 [0,1,0,0,0,0|2,0,1]=4 613 B7R1.2 C[C@@H]1CC[C@H](C1)N MCULE-5368765184 [0,1,0,0,0,0|2,0,1]=4 614 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-1673197449 [0,1,0,0,0,0|2,0,1]=4 615 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-2729648845 [0,1,0,0,0,0|2,0,1]=4 616 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-4960548681 [0,1,0,0,0,0|2,0,1]=4 617 B7R1.2 C[C@@H]1CC[C@H](N1)C MCULE-9686295802 [0,1,0,0,0,0|2,0,1]=4 618 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,1,0,0,0,0|1,0,0]=2 619 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,1,0,0,0,0|1,0,0]=2 620 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,1,0,0,0,0|1,0,0]=2 621 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,1,0,0,0,0|1,0,0]=2 622 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,1,0,0,0,0|0,0,0]=1 623 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,1,0,0,0,0|0,0,0]=1 624 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,1,0,0,0,0|1,0,0]=2 625 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,1,0,0,0,0|1,0,0]=2 626 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,1,0,0,0,0|1,0,0]=2 627 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,1,0,0,0,0|1,0,0]=2 628 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-1790804170 [0,1,0,0,0,0|2,0,1]=4 629 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-2224321786 [0,1,0,0,0,0|2,0,1]=4 630 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-6164070045 [0,1,0,0,0,0|2,0,1]=4 631 B7R1.2 C[C@@H]1C[C@@H](CN1)F MCULE-6870592338 [0,1,0,0,0,0|2,0,1]=4 632 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-1211015225 [0,1,0,0,0,0|2,0,1]=4 633 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8025231795 [0,1,0,0,0,0|2,0,1]=4 634 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8074184383 [0,1,0,0,0,0|2,0,1]=4 635 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8403784233 [0,1,0,0,0,0|2,0,1]=4 636 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-1165785658 [0,1,0,0,0,0|2,0,1]=4 637 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-2237025386 [0,1,0,0,0,0|2,0,1]=4 638 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-4695463101 [0,1,0,0,0,0|2,0,1]=4 639 B7R1.2 C[C@@H]1C[C@H](CN1)F MCULE-9859386988 [0,1,0,0,0,0|2,0,1]=4 640 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-4359200896 [0,1,0,0,0,0|2,0,1]=4 641 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-5029850022 [0,1,0,0,0,0|2,0,1]=4 642 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8880723450 [0,1,0,0,0,0|2,0,1]=4 643 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8966000465 [0,1,0,0,0,0|2,0,1]=4 644 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,1,0,0,0,0|2,0,0]=3 645 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,1,0,0,0,0|2,0,0]=3 646 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,1,0,0,0,0|2,0,0]=3 647 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,1,0,0,0,0|2,0,0]=3 648 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,1,0,0,0,0|1,0,0]=2 649 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,1,0,0,0,0|1,0,0]=2 650 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,1,0,0,0,0|1,0,0]=2 651 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,1,0,0,0,0|0,0,0]=1 652 B7R1.2 C[C@H]1CC[C@@H](C1)N MCULE-1080493056 [0,1,0,0,0,0|2,0,1]=4 653 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-4583560293 [0,1,0,0,0,0|2,0,1]=4 654 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8297612622 [0,1,0,0,0,0|2,0,1]=4 655 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8699883146 [0,1,0,0,0,0|2,0,1]=4 656 B7R1.2 C[C@H]1CC[C@@H](N1)C MCULE-8917914682 [0,1,0,0,0,0|2,0,1]=4 657 B7R1.2 C[C@H]1CC[C@H](C1)C MCULE-8059507758 [0,1,0,0,0,0|2,0,1]=4 658 B7R1.2 C[C@H]1CC[C@H](C1)N MCULE-7070775136 [0,1,0,0,0,0|2,0,1]=4 659 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-1935235769 [0,1,0,0,0,0|2,0,1]=4 660 B7R1.2 C[C@H]1CC[C@H](N1)C MCULE-9833374653 [0,1,0,0,0,0|2,0,1]=4 661 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,1,0,0,0,0|1,0,0]=2 662 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,1,0,0,0,0|1,0,0]=2 663 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,1,0,0,0,0|0,0,0]=1 664 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,1,0,0,0,0|1,0,0]=2 665 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,1,0,0,0,0|1,0,0]=2 666 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,1,0,0,0,0|1,0,0]=2 667 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,1,0,0,0,0|1,0,0]=2 668 B7R1.2 C[C@H]1CSC(=S)N1 MCULE-6690407523 [0,1,0,0,0,0|1,2,0]=4 669 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-1742492020 [0,1,0,0,0,0|2,0,1]=4 670 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-4690497151 [0,1,0,0,0,0|2,0,1]=4 671 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-7372620241 [0,1,0,0,0,0|2,0,1]=4 672 B7R1.2 C[C@H]1C[C@@H](CN1)F MCULE-8319027426 [0,1,0,0,0,0|2,0,1]=4 673 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-1346257695 [0,1,0,0,0,0|2,0,1]=4 674 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-3035291598 [0,1,0,0,0,0|2,0,1]=4 675 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-8611352921 [0,1,0,0,0,0|2,0,1]=4 676 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-9413190353 [0,1,0,0,0,0|2,0,1]=4 677 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-1099206732 [0,1,0,0,0,0|2,0,1]=4 678 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-8257992498 [0,1,0,0,0,0|2,0,1]=4 679 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-8335445065 [0,1,0,0,0,0|2,0,1]=4 680 B7R1.2 C[C@H]1C[C@H](CN1)F MCULE-9395416229 [0,1,0,0,0,0|2,0,1]=4 681 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-3188785695 [0,1,0,0,0,0|2,0,1]=4 682 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-4518572489 [0,1,0,0,0,0|2,0,1]=4 683 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-5322353871 [0,1,0,0,0,0|2,0,1]=4 684 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-9693826142 [0,1,0,0,0,0|2,0,1]=4 685 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [0,1,0,0,0,0|1,1,1]=4 686 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,1,0,0,0,0|1,0,1]=3 687 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,1,0,0,0,0|2,0,1]=4 688 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,1,0,0,0,0|2,0,1]=4 689 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,1,0,0,0,0|2,0,1]=4 690 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,1,0,0,0,0|2,0,1]=4 691 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,1,0,0,0,0|2,0,1]=4 692 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,1,0,0,0,0|2,0,1]=4 693 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,1,0,0,0,0|1,1,1]=4 694 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [0,1,0,0,0,0|2,0,1]=4 695 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,1,0,0,0,0|1,0,0]=2 696 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,1,0,0,0,0|1,0,0]=2 697 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,1,0,0,0,0|1,0,0]=2 698 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,1,0,0,0,0|1,0,0]=2 699 B7R1.2 NC1CCC(C1)F MCULE-1052463910 [0,1,0,0,0,0|2,0,1]=4 700 B7R1.2 NC1CCC(C1)F MCULE-1362820422 [0,1,0,0,0,0|2,0,1]=4 701 B7R1.2 NC1CCC(C1)N MCULE-7855552124 [0,1,0,0,0,0|2,0,1]=4 702 B7R1.2 NC1CCC(C1)N MCULE-9706705284 [0,1,0,0,0,0|2,0,1]=4 703 B7R1.2 NC1CCC(C1)O MCULE-5821071286 [0,1,0,0,0,0|1,0,2]=4 704 B7R1.2 NC1CCC(C1)O MCULE-9391783901 [0,1,0,0,0,0|1,0,2]=4 705 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [0,1,0,0,0,0|2,0,0]=3 706 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [0,1,0,0,0,0|2,0,0]=3 707 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,1,0,0,0,0|1,0,0]=2 708 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,1,0,0,0,0|1,0,0]=2 709 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,1,0,0,0,0|1,0,0]=2 710 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,1,0,0,0,0|1,0,0]=2 711 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,1,0,0,0,0|0,0,0]=1 712 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,1,0,0,0,0|0,0,0]=1 713 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,1,0,0,0,0|0,0,0]=1 714 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,1,0,0,0,0|0,0,0]=1 715 B7R1.2 NC1N=CC(=O)S1 MCULE-9874802810 [0,1,0,0,0,0|1,1,1]=4 716 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [0,1,0,0,0,0|2,0,0]=3 717 B7R1.2 N[C@@H]1CC[C@@H](C1)F MCULE-1039943323 [0,1,0,0,0,0|2,0,1]=4 718 B7R1.2 N[C@@H]1CC[C@@H](C1)F MCULE-3861238775 [0,1,0,0,0,0|2,0,1]=4 719 B7R1.2 N[C@@H]1CC[C@@H](C1)F MCULE-4709681384 [0,1,0,0,0,0|2,0,1]=4 720 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-2973461190 [0,1,0,0,0,0|1,0,2]=4 721 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-5462229704 [0,1,0,0,0,0|1,0,2]=4 722 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-6746606174 [0,1,0,0,0,0|1,0,2]=4 723 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7196403409 [0,1,0,0,0,0|1,0,2]=4 724 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7511735313 [0,1,0,0,0,0|1,0,2]=4 725 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-9023897758 [0,1,0,0,0,0|1,0,2]=4 726 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-1973308112 [0,1,0,0,0,0|2,0,1]=4 727 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-2885294836 [0,1,0,0,0,0|2,0,1]=4 728 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-3217124168 [0,1,0,0,0,0|2,0,1]=4 729 B7R1.2 N[C@@H]1CC[C@H](C1)F MCULE-3983968357 [0,1,0,0,0,0|2,0,1]=4 730 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-2953432986 [0,1,0,0,0,0|2,0,1]=4 731 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-5679004800 [0,1,0,0,0,0|2,0,1]=4 732 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-7275989455 [0,1,0,0,0,0|2,0,1]=4 733 B7R1.2 N[C@@H]1CC[C@H](C1)N MCULE-9713633356 [0,1,0,0,0,0|2,0,1]=4 734 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-3286276562 [0,1,0,0,0,0|1,0,2]=4 735 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-5345953109 [0,1,0,0,0,0|1,0,2]=4 736 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-6442703385 [0,1,0,0,0,0|1,0,2]=4 737 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-7457197538 [0,1,0,0,0,0|1,0,2]=4 738 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,1,0,0,0,0|1,0,0]=2 739 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,1,0,0,0,0|1,0,0]=2 740 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,1,0,0,0,0|1,0,0]=2 741 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,1,0,0,0,0|1,0,0]=2 742 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,1,0,0,0,0|0,0,0]=1 743 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,1,0,0,0,0|0,0,0]=1 744 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,1,0,0,0,0|0,0,0]=1 745 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,1,0,0,0,0|0,0,0]=1 746 B7R1.2 N[C@H]1CC[C@@H](C1)F MCULE-7847317272 [0,1,0,0,0,0|2,0,1]=4 747 B7R1.2 N[C@H]1CC[C@@H](C1)F MCULE-8833201415 [0,1,0,0,0,0|2,0,1]=4 748 B7R1.2 N[C@H]1CC[C@@H](C1)N MCULE-3035711729 [0,1,0,0,0,0|2,0,1]=4 749 B7R1.2 N[C@H]1CC[C@@H](C1)N MCULE-6912512686 [0,1,0,0,0,0|2,0,1]=4 750 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-2764158583 [0,1,0,0,0,0|1,0,2]=4 751 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-5047569623 [0,1,0,0,0,0|1,0,2]=4 752 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-7674066148 [0,1,0,0,0,0|1,0,2]=4 753 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-8478778872 [0,1,0,0,0,0|1,0,2]=4 754 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-1792150017 [0,1,0,0,0,0|2,0,1]=4 755 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-4563758183 [0,1,0,0,0,0|2,0,1]=4 756 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-4785441600 [0,1,0,0,0,0|2,0,1]=4 757 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-5413630050 [0,1,0,0,0,0|2,0,1]=4 758 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-7223746698 [0,1,0,0,0,0|2,0,1]=4 759 B7R1.2 N[C@H]1CC[C@H](C1)F MCULE-9000616089 [0,1,0,0,0,0|2,0,1]=4 760 B7R1.2 N[C@H]1CC[C@H](C1)N MCULE-3378648870 [0,1,0,0,0,0|2,0,1]=4 761 B7R1.2 N[C@H]1CC[C@H](C1)N MCULE-7356571170 [0,1,0,0,0,0|2,0,1]=4 762 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-3786824722 [0,1,0,0,0,0|1,0,2]=4 763 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-4140170961 [0,1,0,0,0,0|1,0,2]=4 764 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5760466174 [0,1,0,0,0,0|1,0,2]=4 765 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5995468864 [0,1,0,0,0,0|1,0,2]=4 766 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-6230469368 [0,1,0,0,0,0|1,0,2]=4 767 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-9622062244 [0,1,0,0,0,0|1,0,2]=4 768 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,1,0,0,0,0|1,0,0]=2 769 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,1,0,0,0,0|1,0,0]=2 770 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,1,0,0,0,0|1,0,0]=2 771 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,1,0,0,0,0|1,0,0]=2 772 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,1,0,0,0,0|1,0,0]=2 773 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,1,0,0,0,0|1,0,0]=2 774 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,1,0,0,0,0|0,0,0]=1 775 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,1,0,0,0,0|0,0,0]=1 776 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,1,0,0,0,0|0,0,0]=1 777 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,1,0,0,0,0|0,0,0]=1 778 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,1,0,0,0,0|1,0,1]=3 779 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,1,0,0,0,0|1,0,1]=3 780 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,1,0,0,0,0|1,0,1]=3 781 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,1,0,0,0,0|1,0,1]=3 782 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [0,1,0,0,0,0|1,0,2]=4 783 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,1,0,0,0,0|1,0,2]=4 784 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,1,0,0,0,0|0,0,2]=3 785 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,1,0,0,0,0|0,0,2]=3 786 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [0,1,0,0,0,0|1,0,2]=4 787 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,1,0,0,0,0|0,0,3]=4 788 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,1,0,0,0,0|1,0,1]=3 789 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [0,1,0,0,0,0|0,0,2]=3 790 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [0,1,0,0,0,0|0,0,2]=3 791 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,1,0,0,0,0|1,0,1]=3 792 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,1,0,0,0,0|1,0,1]=3 793 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,1,0,0,0,0|0,0,2]=3 794 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [0,1,0,0,0,0|2,0,1]=4 795 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,1,0,0,0,0|1,0,0]=2 796 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,1,0,0,0,0|1,0,0]=2 797 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,1,0,0,0,0|0,0,0]=1 798 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,1,0,0,0,0|0,0,0]=1 799 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,1,0,0,0,0|1,0,1]=3 800 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,1,0,0,0,0|1,0,1]=3 801 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,1,0,0,0,0|0,0,1]=2 802 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,1,0,0,0,0|1,0,0]=2 803 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,1,0,0,0,0|1,0,0]=2 804 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,1,0,0,0,0|1,0,0]=2 805 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,1,0,0,0,0|1,0,0]=2 806 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,1,0,0,0,0|0,0,0]=1 807 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,1,0,0,0,0|0,0,0]=1 808 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,1,0,0,0,0|1,0,1]=3 809 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,1,0,0,0,0|2,0,1]=4 810 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,1,0,0,0,0|1,0,1]=3 811 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,1,0,0,0,0|1,1,1]=4 812 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [0,1,0,0,0,0|2,0,1]=4 813 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [0,1,0,0,0,0|1,1,1]=4 814 B7R1.2 O=C1CNC(S1)S MCULE-9237115672 [0,1,0,0,0,0|1,1,0]=3 815 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,1,0,0,0,0|0,0,1]=2 816 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,1,0,0,0,0|1,0,1]=3 817 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,1,0,0,0,0|1,0,1]=3 818 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,1,0,0,0,0|1,1,1]=4 819 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [0,1,0,0,0,0|2,0,1]=4 820 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,1,0,0,0,0|1,0,0]=2 821 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,1,0,0,0,0|1,0,0]=2 822 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,1,0,0,0,0|0,0,0]=1 823 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,1,0,0,0,0|0,0,0]=1 824 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,1,0,0,0,0|1,0,0]=2 825 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,1,0,0,0,0|1,0,0]=2 826 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,1,0,0,0,0|1,0,0]=2 827 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,1,0,0,0,0|1,0,0]=2 828 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,1,0,0,0,0|0,0,0]=1 829 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,1,0,0,0,0|0,0,0]=1 830 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [0,1,0,0,0,0|1,1,1]=4 831 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [0,1,0,0,0,0|2,0,1]=4 832 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,1,0,0,0,0|2,0,1]=4 833 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,1,0,0,0,0|1,0,0]=2 834 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,1,0,0,0,0|1,0,0]=2 835 B7R1.2 OC1CCC(C1)O MCULE-2799846813 [0,1,0,0,0,0|1,0,2]=4 836 B7R1.2 OC1CCC(O1)O MCULE-8012370358 [0,1,0,0,0,0|0,0,2]=3 837 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-4481324218 [0,1,0,0,0,0|1,0,2]=4 838 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-6560672131 [0,1,0,0,0,0|1,0,2]=4 839 B7R1.2 O[C@H]1CC[C@H](C1)O MCULE-4640874873 [0,1,0,0,0,0|1,0,2]=4 840 B7R1.2 S=C1CCC(=S)N1 MCULE-1793012495 [0,1,0,0,0,0|1,1,1]=4 841 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-3137346382 [0,1,0,0,0,0|1,0,2]=4 842 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-9954737796 [0,1,0,0,0,0|1,0,2]=4 843 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,1,0,0,0,0|1,0,0]=2 844 B7R1.2 [C@H]1(CC[C@H](C1)O)O MCULE-4834858159 [0,1,0,0,0,0|1,0,2]=4 845 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-1916837136 [0,1,0,0,0,0|2,0,1]=4 846 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-8263093896 [0,1,0,0,0,0|2,0,1]=4 847 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9065610836 [0,1,0,0,0,0|2,0,1]=4 848 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9910248291 [0,1,0,0,0,0|2,0,1]=4 849 B7R1.4 BrC1=C(CCC1)Br MCULE-2617233515 [0,1,0,0,0,0|2,0,0]=3 850 B7R1.4 BrC1CCCC1Br MCULE-9172342979 [0,1,0,0,0,0|2,0,1]=4 851 B7R1.4 Br[C@@H]1CCC[C@H]1Br MCULE-5523481790 [0,1,0,0,0,0|2,0,1]=4 852 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,1,0,0,0,0|1,0,0]=2 853 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,1,0,0,0,0|1,0,0]=2 854 B7R1.4 C=C1CCCC1O MCULE-3026250203 [0,1,0,0,0,0|2,0,0]=3 855 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,1,0,0,0,0|1,0,1]=3 856 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,1,0,0,0,0|0,0,1]=2 857 B7R1.4 C=C1COCC1N MCULE-4632261286 [0,1,0,0,0,0|3,0,0]=4 858 B7R1.4 C=C1COCC1N MCULE-7153575301 [0,1,0,0,0,0|3,0,0]=4 859 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,1,0,0,0,0|1,0,1]=3 860 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,1,0,0,0,0|0,0,2]=3 861 B7R1.4 CC1C=NNC1=O MCULE-2547711142 [0,1,0,0,0,0|2,0,1]=4 862 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,1,0,0,0,0|1,0,0]=2 863 B7R1.4 CC1CCCC1Br MCULE-7816907673 [0,1,0,0,0,0|2,0,1]=4 864 B7R1.4 CC1CCCC1N MCULE-4318156403 [0,1,0,0,0,0|2,0,1]=4 865 B7R1.4 CC1CCCC1N MCULE-4434172193 [0,1,0,0,0,0|2,0,1]=4 866 B7R1.4 CC1CCCC1O MCULE-1288711765 [0,1,0,0,0,0|1,0,2]=4 867 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,1,0,0,0,0|1,0,0]=2 868 B7R1.4 CC1CCNC1C MCULE-2184586167 [0,1,0,0,0,0|2,0,1]=4 869 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,1,0,0,0,0|0,0,0]=1 870 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,1,0,0,0,0|2,0,0]=3 871 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,1,0,0,0,0|2,0,0]=3 872 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,1,0,0,0,0|2,0,0]=3 873 B7R1.4 CC1CON=C1N MCULE-8845082604 [0,1,0,0,0,0|3,0,0]=4 874 B7R1.4 CC1CSCC1=O MCULE-5611423322 [0,1,0,0,0,0|2,0,0]=3 875 B7R1.4 CC1NCCC1=O MCULE-4206844406 [0,1,0,0,0,0|2,0,0]=3 876 B7R1.4 CC1NCCC1=O MCULE-7025918222 [0,1,0,0,0,0|2,0,0]=3 877 B7R1.4 CC1NCCC1O MCULE-7936666458 [0,1,0,0,0,0|2,0,1]=4 878 B7R1.4 CC1NCCC1O MCULE-8369948926 [0,1,0,0,0,0|2,0,1]=4 879 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,1,0,0,0,0|2,0,0]=3 880 B7R1.4 CC1OCCC1N MCULE-4343663724 [0,1,0,0,0,0|1,0,1]=3 881 B7R1.4 CC1OCCC1N MCULE-9003879039 [0,1,0,0,0,0|1,0,1]=3 882 B7R1.4 CC1OCCC1O MCULE-6904695721 [0,1,0,0,0,0|1,0,1]=3 883 B7R1.4 CC1OCCC1S MCULE-9127694888 [0,1,0,0,0,0|1,0,1]=3 884 B7R1.4 CC1OCOC1C MCULE-9497186094 [0,1,0,0,0,0|2,0,1]=4 885 B7R1.4 CC1SCCC1=O MCULE-5264322365 [0,1,0,0,0,0|2,0,0]=3 886 B7R1.4 CC1SCCC1N MCULE-5160182865 [0,1,0,0,0,0|1,1,1]=4 887 B7R1.4 CC1SCCC1N MCULE-8827106279 [0,1,0,0,0,0|1,1,1]=4 888 B7R1.4 CC1SCCC1O MCULE-4342593310 [0,1,0,0,0,0|1,1,1]=4 889 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [0,1,0,0,0,0|1,0,2]=4 890 B7R1.4 CN1CCCC1=O MCULE-1381506705 [0,1,0,0,0,0|1,0,0]=2 891 B7R1.4 CN1CCCC1=S MCULE-1990879544 [0,1,0,0,0,0|1,1,0]=3 892 B7R1.4 CN1CCN=C1N MCULE-2837197751 [0,1,0,0,0,0|3,0,0]=4 893 B7R1.4 CN1CCN=C1N MCULE-3453498956 [0,1,0,0,0,0|3,0,0]=4 894 B7R1.4 CN1CCN=C1N MCULE-5148335318 [0,1,0,0,0,0|3,0,0]=4 895 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,1,0,0,0,0|2,0,0]=3 896 B7R1.4 CN1CCNC1=S MCULE-5960493935 [0,1,0,0,0,0|2,1,0]=4 897 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,1,0,0,0,0|1,0,0]=2 898 B7R1.4 CN1CCSC1=N MCULE-4301061048 [0,1,0,0,0,0|2,1,0]=4 899 B7R1.4 CN1CCSC1=N MCULE-6525392774 [0,1,0,0,0,0|2,1,0]=4 900 B7R1.4 CN1CCSC1=S MCULE-4468510205 [0,1,0,0,0,0|1,2,0]=4 901 B7R1.4 CN1CNCC1=O MCULE-2252466841 [0,1,0,0,0,0|2,0,0]=3 902 B7R1.4 CN1N=CCC1=O MCULE-2362806196 [0,1,0,0,0,0|2,0,1]=4 903 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-6206070680 [0,1,0,0,0,0|2,0,1]=4 904 B7R1.4 C[C@@H]1CCC[C@@H]1N MCULE-9964938082 [0,1,0,0,0,0|2,0,1]=4 905 B7R1.4 C[C@@H]1CCC[C@@H]1O MCULE-2617120620 [0,1,0,0,0,0|1,0,2]=4 906 B7R1.4 C[C@@H]1CCC[C@H]1N MCULE-8385969474 [0,1,0,0,0,0|2,0,1]=4 907 B7R1.4 C[C@@H]1CCC[C@H]1O MCULE-3398682980 [0,1,0,0,0,0|1,0,2]=4 908 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,1,0,0,0,0|1,0,0]=2 909 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-1705265213 [0,1,0,0,0,0|2,0,1]=4 910 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-3395898129 [0,1,0,0,0,0|2,0,1]=4 911 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-5909894286 [0,1,0,0,0,0|2,0,1]=4 912 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-9998480727 [0,1,0,0,0,0|2,0,1]=4 913 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-1101330824 [0,1,0,0,0,0|2,0,1]=4 914 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3326131093 [0,1,0,0,0,0|2,0,1]=4 915 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3941456644 [0,1,0,0,0,0|2,0,1]=4 916 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-8944150043 [0,1,0,0,0,0|2,0,1]=4 917 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-5910807847 [0,1,0,0,0,0|1,0,1]=3 918 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-7586038907 [0,1,0,0,0,0|1,0,1]=3 919 B7R1.4 C[C@H]1CCC[C@@H]1N MCULE-4150988023 [0,1,0,0,0,0|2,0,1]=4 920 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-5212653059 [0,1,0,0,0,0|1,0,2]=4 921 B7R1.4 C[C@H]1CCC[C@@H]1O MCULE-7997646273 [0,1,0,0,0,0|1,0,2]=4 922 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-3329868072 [0,1,0,0,0,0|2,0,1]=4 923 B7R1.4 C[C@H]1CCC[C@H]1N MCULE-4186145172 [0,1,0,0,0,0|2,0,1]=4 924 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-3291842365 [0,1,0,0,0,0|1,0,2]=4 925 B7R1.4 C[C@H]1CCC[C@H]1O MCULE-7570125274 [0,1,0,0,0,0|1,0,2]=4 926 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,1,0,0,0,0|1,0,0]=2 927 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7622265949 [0,1,0,0,0,0|2,0,1]=4 928 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7686056776 [0,1,0,0,0,0|2,0,1]=4 929 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-5499798144 [0,1,0,0,0,0|2,0,1]=4 930 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-7401004387 [0,1,0,0,0,0|2,0,1]=4 931 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-7469942077 [0,1,0,0,0,0|2,0,1]=4 932 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-9976903585 [0,1,0,0,0,0|2,0,1]=4 933 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-1432785321 [0,1,0,0,0,0|1,0,1]=3 934 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-3008045787 [0,1,0,0,0,0|1,0,1]=3 935 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-7656776924 [0,1,0,0,0,0|1,0,1]=3 936 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-8087379612 [0,1,0,0,0,0|1,0,1]=3 937 B7R1.4 ClC1CCCC1Cl MCULE-1176916477 [0,1,0,0,0,0|2,0,1]=4 938 B7R1.4 ClC1CCOC1Cl MCULE-1186010832 [0,1,0,0,0,0|1,0,1]=3 939 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,1,0,0,0,0|0,0,2]=3 940 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,1,0,0,0,0|1,0,0]=2 941 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,1,0,0,0,0|1,0,0]=2 942 B7R1.4 NC1CCCC1F MCULE-2221939717 [0,1,0,0,0,0|2,0,1]=4 943 B7R1.4 NC1CCCC1F MCULE-7473190715 [0,1,0,0,0,0|2,0,1]=4 944 B7R1.4 NC1CCCC1N MCULE-5161769230 [0,1,0,0,0,0|2,0,1]=4 945 B7R1.4 NC1CCCC1N MCULE-7834445190 [0,1,0,0,0,0|2,0,1]=4 946 B7R1.4 NC1CCCC1O MCULE-1657591641 [0,1,0,0,0,0|1,0,2]=4 947 B7R1.4 NC1CCCC1O MCULE-6248992494 [0,1,0,0,0,0|1,0,2]=4 948 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,1,0,0,0,0|1,0,0]=2 949 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,1,0,0,0,0|1,0,0]=2 950 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,0,0,0|0,0,0]=1 951 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,0,0,0|0,0,0]=1 952 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,0,0,0|0,0,0]=1 953 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,0,0,0|0,0,0]=1 954 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,0,0,0|0,0,0]=1 955 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,0,0,0|0,0,0]=1 956 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,1,0,0,0,0|0,1,0]=2 957 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,1,0,0,0,0|0,1,0]=2 958 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,1,0,0,0,0|2,0,0]=3 959 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,1,0,0,0,0|2,0,0]=3 960 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,1,0,0,0,0|1,0,0]=2 961 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,1,0,0,0,0|1,0,0]=2 962 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,1,0,0,0,0|2,0,0]=3 963 B7R1.4 NN1CCNC1=S MCULE-6710971353 [0,1,0,0,0,0|2,1,0]=4 964 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,1,0,0,0,0|1,0,0]=2 965 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,1,0,0,0,0|1,0,0]=2 966 B7R1.4 N[C@@H]1CCC[C@@H]1F MCULE-5918995947 [0,1,0,0,0,0|2,0,1]=4 967 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-3619202671 [0,1,0,0,0,0|1,0,2]=4 968 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-5588562063 [0,1,0,0,0,0|1,0,2]=4 969 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-8937650915 [0,1,0,0,0,0|1,0,2]=4 970 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9550479411 [0,1,0,0,0,0|1,0,2]=4 971 B7R1.4 N[C@@H]1CCC[C@@H]1O MCULE-9908988904 [0,1,0,0,0,0|1,0,2]=4 972 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-1389039924 [0,1,0,0,0,0|2,0,1]=4 973 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-2197861570 [0,1,0,0,0,0|2,0,1]=4 974 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-3318849776 [0,1,0,0,0,0|2,0,1]=4 975 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-5395257521 [0,1,0,0,0,0|2,0,1]=4 976 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-8318262942 [0,1,0,0,0,0|2,0,1]=4 977 B7R1.4 N[C@@H]1CCC[C@H]1F MCULE-9877401480 [0,1,0,0,0,0|2,0,1]=4 978 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-1630250066 [0,1,0,0,0,0|2,0,1]=4 979 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-5738867214 [0,1,0,0,0,0|2,0,1]=4 980 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-5794367720 [0,1,0,0,0,0|2,0,1]=4 981 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-6079002018 [0,1,0,0,0,0|2,0,1]=4 982 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-7332231839 [0,1,0,0,0,0|2,0,1]=4 983 B7R1.4 N[C@@H]1CCC[C@H]1N MCULE-7604406385 [0,1,0,0,0,0|2,0,1]=4 984 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-2283352070 [0,1,0,0,0,0|1,0,2]=4 985 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-3279782742 [0,1,0,0,0,0|1,0,2]=4 986 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-6823698796 [0,1,0,0,0,0|1,0,2]=4 987 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-7752087047 [0,1,0,0,0,0|1,0,2]=4 988 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-8823714511 [0,1,0,0,0,0|1,0,2]=4 989 B7R1.4 N[C@@H]1CCC[C@H]1O MCULE-9789739251 [0,1,0,0,0,0|1,0,2]=4 990 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,1,0,0,0,0|1,0,0]=2 991 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,1,0,0,0,0|1,0,0]=2 992 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,1,0,0,0,0|1,0,0]=2 993 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,1,0,0,0,0|1,0,0]=2 994 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,0,0,0|0,0,0]=1 995 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,0,0,0|0,0,0]=1 996 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,0,0,0|0,0,0]=1 997 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,0,0,0|0,0,0]=1 998 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,1,0,0,0,0|0,1,0]=2 999 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,1,0,0,0,0|0,1,0]=2 1000 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,1,0,0,0,0|0,1,0]=2 1001 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,1,0,0,0,0|0,1,0]=2 1002 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,1,0,0,0,0|2,0,0]=3 1003 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,1,0,0,0,0|2,0,0]=3 1004 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-6629056296 [0,1,0,0,0,0|1,0,2]=4 1005 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-7682114350 [0,1,0,0,0,0|1,0,2]=4 1006 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-8554796061 [0,1,0,0,0,0|1,0,2]=4 1007 B7R1.4 N[C@H]1CCC[C@@H]1O MCULE-9329258920 [0,1,0,0,0,0|1,0,2]=4 1008 B7R1.4 N[C@H]1CCC[C@H]1N MCULE-1361897949 [0,1,0,0,0,0|2,0,1]=4 1009 B7R1.4 N[C@H]1CCC[C@H]1N MCULE-4545374374 [0,1,0,0,0,0|2,0,1]=4 1010 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-1156997833 [0,1,0,0,0,0|1,0,2]=4 1011 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-2524879699 [0,1,0,0,0,0|1,0,2]=4 1012 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-7034968971 [0,1,0,0,0,0|1,0,2]=4 1013 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9262461574 [0,1,0,0,0,0|1,0,2]=4 1014 B7R1.4 N[C@H]1CCC[C@H]1O MCULE-9904485750 [0,1,0,0,0,0|1,0,2]=4 1015 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,1,0,0,0,0|1,0,0]=2 1016 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,1,0,0,0,0|1,0,0]=2 1017 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,1,0,0,0,0|1,0,0]=2 1018 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,1,0,0,0,0|1,0,0]=2 1019 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,0,0,0|0,0,0]=1 1020 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,0,0,0|0,0,0]=1 1021 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,0,0,0|0,0,0]=1 1022 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,0,0,0|0,0,0]=1 1023 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,0,0,0|0,0,0]=1 1024 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,1,0,0,0,0|0,1,0]=2 1025 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,1,0,0,0,0|0,1,0]=2 1026 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,1,0,0,0,0|0,1,0]=2 1027 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,1,0,0,0,0|0,1,0]=2 1028 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,1,0,0,0,0|2,0,0]=3 1029 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,1,0,0,0,0|2,0,0]=3 1030 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,1,0,0,0,0|1,0,1]=3 1031 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,1,0,0,0,0|1,0,1]=3 1032 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,0,0,0|1,0,1]=3 1033 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,1,0,0,0,0|1,0,0]=2 1034 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,1,0,0,0,0|1,0,0]=2 1035 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,1,0,0,0,0|1,0,0]=2 1036 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,1,0,0,0,0|1,0,0]=2 1037 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,1,0,0,0,0|1,0,0]=2 1038 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,1,0,0,0,0|1,0,1]=3 1039 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,1,0,0,0,0|1,0,0]=2 1040 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,1,0,0,0,0|1,0,0]=2 1041 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,1,0,0,0,0|1,0,0]=2 1042 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,1,0,0,0,0|1,0,0]=2 1043 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,1,0,0,0,0|1,0,0]=2 1044 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,1,0,0,0,0|1,0,0]=2 1045 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,1,0,0,0,0|1,0,0]=2 1046 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,1,0,0,0,0|1,0,0]=2 1047 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,1,0,0,0,0|1,0,0]=2 1048 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,1,0,0,0,0|0,0,2]=3 1049 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,1,0,0,0,0|0,0,0]=1 1050 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,0,0,0|0,0,0]=1 1051 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,1,0,0,0,0|0,0,0]=1 1052 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,0,0,0|0,0,0]=1 1053 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,0,0,0|0,0,0]=1 1054 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,0,0,0|0,0,0]=1 1055 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,0,0,0|0,0,0]=1 1056 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [0,1,0,0,0,0|2,0,0]=3 1057 B7R1.4 OC1CCCC1Br MCULE-9027030471 [0,1,0,0,0,0|1,0,2]=4 1058 B7R1.4 OC1CCCC1Cl MCULE-5561130140 [0,1,0,0,0,0|1,0,2]=4 1059 B7R1.4 OC1CCCC1F MCULE-9111039481 [0,1,0,0,0,0|1,0,2]=4 1060 B7R1.4 OC1CCCC1O MCULE-2003945768 [0,1,0,0,0,0|1,0,2]=4 1061 B7R1.4 O[C@@H]1CCC[C@H]1Cl MCULE-5851051143 [0,1,0,0,0,0|1,0,2]=4 1062 B7R1.4 O[C@@H]1CCC[C@H]1Cl MCULE-6816188915 [0,1,0,0,0,0|1,0,2]=4 1063 B7R1.4 O[C@@H]1CCC[C@H]1F MCULE-6825738824 [0,1,0,0,0,0|1,0,2]=4 1064 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-3171045763 [0,1,0,0,0,0|1,0,2]=4 1065 B7R1.4 O[C@@H]1CCC[C@H]1O MCULE-4369287998 [0,1,0,0,0,0|1,0,2]=4 1066 B7R1.4 O[C@H]1CCC[C@@H]1F MCULE-5487297072 [0,1,0,0,0,0|1,0,2]=4 1067 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4051443060 [0,1,0,0,0,0|1,0,2]=4 1068 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-4644231649 [0,1,0,0,0,0|1,0,2]=4 1069 B7R1.4 O[C@H]1CCC[C@@H]1O MCULE-6847877597 [0,1,0,0,0,0|1,0,2]=4 1070 B7R1.4 O[C@H]1CCC[C@H]1Br MCULE-2758354858 [0,1,0,0,0,0|1,0,2]=4 1071 B7R1.4 O[C@H]1CCC[C@H]1Cl MCULE-6157730443 [0,1,0,0,0,0|1,0,2]=4 1072 B7R1.4 O[C@H]1CCC[C@H]1Cl MCULE-8785327416 [0,1,0,0,0,0|1,0,2]=4 1073 B7R1.4 O[C@H]1CCC[C@H]1O MCULE-7305350842 [0,1,0,0,0,0|1,0,2]=4 1074 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-2430440513 [0,1,0,0,0,0|2,0,1]=4 1075 B7R1.4 [C@@H]1(CCC[C@H]1N)C MCULE-8503171996 [0,1,0,0,0,0|2,0,1]=4 1076 B7R1.4 [C@@H]1(CCC[C@H]1N)F MCULE-5545998720 [0,1,0,0,0,0|2,0,1]=4 1077 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,1,0,0,0,0|0,0,0]=1 1078 B7R1.14 CC1(CCCC1)Br MCULE-8706490914 [0,1,0,0,0,0|2,0,1]=4 1079 B7R1.14 CC1(CCCC1)N MCULE-1696024032 [0,1,0,0,0,0|2,0,1]=4 1080 B7R1.14 CC1(CCCC1)N MCULE-7897960444 [0,1,0,0,0,0|2,0,1]=4 1081 B7R1.14 CC1(CCCC1)O MCULE-1425529053 [0,1,0,0,0,0|1,0,2]=4 1082 B7R1.14 CC1(CCCN1)C MCULE-3172250386 [0,1,0,0,0,0|2,0,1]=4 1083 B7R1.14 CC1(CCCN1)C MCULE-6227706175 [0,1,0,0,0,0|2,0,1]=4 1084 B7R1.14 CC1(NCCO1)C MCULE-5384206883 [0,1,0,0,0,0|2,0,1]=4 1085 B7R1.14 CC1(OCCO1)C MCULE-3382136459 [0,1,0,0,0,0|2,0,1]=4 1086 B7R1.14 C[N+]1(CCCC1)C MCULE-3715522497 [0,1,0,0,0,0|3,0,0]=4 1087 B7R1.14 C[N+]1(CCCC1)C MCULE-9941565311 [0,1,0,0,0,0|3,0,0]=4 1088 B7R1.14 C[Si]1(CCCC1)C MCULE-1541355807 [0,1,0,0,0,0|2,1,0]=4 1089 B7R1.14 Cl[Si]1(CCCC1)Cl MCULE-3311328568 [0,1,0,0,0,0|2,1,0]=4 1090 B7R1.14 N=S1(=O)CCCC1 MCULE-6922708158 [0,1,0,0,0,0|2,0,0]=3 1091 B7R1.14 O=P1(C=CCC1)Cl MCULE-4153870806 [0,1,0,0,0,0|2,0,1]=4 1092 B7R1.14 O=P1(CCCC1)Cl MCULE-9877294162 [0,1,0,0,0,0|2,0,0]=3 1093 B7R1.14 O=P1(OCCO1)Cl MCULE-8220157277 [0,1,0,0,0,0|2,0,0]=3 1094 B7R1.14 O=S1(=O)C=CCC1 MCULE-7689521769 [0,1,0,0,0,0|2,0,1]=4 1095 B7R1.14 O=S1(=O)C=CCO1 MCULE-5410343136 [0,1,0,0,0,0|1,0,2]=4 1096 B7R1.14 O=S1(=O)CCC=N1 MCULE-3928927688 [0,1,0,0,0,0|2,0,1]=4 1097 B7R1.14 O=S1(=O)CCCC1 MCULE-3506686856 [0,1,0,0,0,0|2,0,0]=3 1098 B7R1.14 O=S1(=O)CCCN1 MCULE-8201546192 [0,1,0,0,0,0|2,0,0]=3 1099 B7R1.14 O=S1(=O)CCCO1 MCULE-4897687828 [0,1,0,0,0,0|1,0,0]=2 1100 B7R1.14 O=S1(=O)NCCN1 MCULE-4603146826 [0,1,0,0,0,0|3,0,0]=4 1101 B7R1.14 O=S1(=O)NCCO1 MCULE-2978152198 [0,1,0,0,0,0|2,0,0]=3 1102 B7R1.14 O=S1(=O)OCCO1 MCULE-4563579294 [0,1,0,0,0,0|2,0,0]=3 1103 B5R0.1 C#CCC(=O)O MCULE-4680699666 [0,0,1,0,0,0|0,0,2]=3 1104 B5R0.1 C(C)(N)CCC MCULE-4800297905 [0,0,1,0,0,0|2,0,1]=4 1105 B5R0.1 C(C)(N)CCC MCULE-7674864567 [0,0,1,0,0,0|2,0,1]=4 1106 B5R0.1 C/C(=C/CI)/I MCULE-4907089043 [0,0,1,0,0,0|3,0,0]=4 1107 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [0,0,1,0,0,0|3,0,0]=4 1108 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [0,0,1,0,0,0|3,0,0]=4 1109 B5R0.1 C/C(=C\CCl)/Cl MCULE-6679259233 [0,0,1,0,0,0|3,0,0]=4 1110 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [0,0,1,0,0,0|1,0,1]=3 1111 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [0,0,1,0,0,0|1,0,2]=4 1112 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [0,0,1,0,0,0|1,0,2]=4 1113 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [0,0,1,0,0,0|0,0,2]=3 1114 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [0,0,1,0,0,0|3,0,0]=4 1115 B5R0.1 C=C(Br)CCO MCULE-3743908958 [0,0,1,0,0,0|3,0,0]=4 1116 B5R0.1 C=C(Br)COC MCULE-5349428431 [0,0,1,0,0,0|3,0,0]=4 1117 B5R0.1 C=C(C)CCBr MCULE-3439794005 [0,0,1,0,0,0|3,0,0]=4 1118 B5R0.1 C=C(C)CCC MCULE-8225129744 [0,0,1,0,0,0|2,0,0]=3 1119 B5R0.1 C=C(C)CCCl MCULE-2816016781 [0,0,1,0,0,0|3,0,0]=4 1120 B5R0.1 C=C(C)CCI MCULE-6317205481 [0,0,1,0,0,0|3,0,0]=4 1121 B5R0.1 C=C(C)CCN MCULE-4037025602 [0,0,1,0,0,0|3,0,0]=4 1122 B5R0.1 C=C(C)CCN MCULE-5001503744 [0,0,1,0,0,0|3,0,0]=4 1123 B5R0.1 C=C(C)CCO MCULE-2689800711 [0,0,1,0,0,0|3,0,0]=4 1124 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,0,1,0,0,0|3,0,0]=4 1125 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,0,1,0,0,0|3,0,0]=4 1126 B5R0.1 C=C(C)OCC MCULE-5303468686 [0,0,1,0,0,0|1,0,0]=2 1127 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [0,0,1,0,0,0|1,0,2]=4 1128 B5R0.1 C=CCC(=O)N MCULE-1205335257 [0,0,1,0,0,0|1,0,2]=4 1129 B5R0.1 C=CCC(=O)O MCULE-6288979337 [0,0,1,0,0,0|0,0,2]=3 1130 B5R0.1 C=CNC(=O)C MCULE-1260296806 [0,0,1,0,0,0|1,0,2]=4 1131 B5R0.1 C=COC(=O)C MCULE-7626795765 [0,0,1,0,0,0|0,0,2]=3 1132 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [0,0,1,0,0,0|1,0,2]=4 1133 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,0,1,0,0,0|2,0,1]=4 1134 B5R0.1 CC#CC(=O)C MCULE-4083248904 [0,0,1,0,0,0|1,0,1]=3 1135 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [0,0,1,0,0,0|1,0,2]=4 1136 B5R0.1 CC#CC(=O)O MCULE-9994142213 [0,0,1,0,0,0|0,0,2]=3 1137 B5R0.1 CC(=CCBr)C MCULE-7961276795 [0,0,1,0,0,0|3,0,0]=4 1138 B5R0.1 CC(=CCCl)C MCULE-1110417103 [0,0,1,0,0,0|3,0,0]=4 1139 B5R0.1 CC(=CCCl)Cl MCULE-9735045489 [0,0,1,0,0,0|3,0,0]=4 1140 B5R0.1 CC(=CCI)I MCULE-4204968539 [0,0,1,0,0,0|3,0,0]=4 1141 B5R0.1 CC(=CCN)C MCULE-7220252581 [0,0,1,0,0,0|3,0,0]=4 1142 B5R0.1 CC(=CCN)C MCULE-8394581250 [0,0,1,0,0,0|3,0,0]=4 1143 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [0,0,1,0,0,0|3,0,0]=4 1144 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [0,0,1,0,0,0|3,0,0]=4 1145 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,0,1,0,0,0|3,0,0]=4 1146 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,0,1,0,0,0|3,0,0]=4 1147 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,0,1,0,0,0|3,0,0]=4 1148 B5R0.1 CC(=CCS)C MCULE-4180446913 [0,0,1,0,0,0|3,0,0]=4 1149 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,0,1,0,0,0|3,0,0]=4 1150 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,0,1,0,0,0|3,0,0]=4 1151 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [0,0,1,0,0,0|2,0,1]=4 1152 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,0,1,0,0,0|3,0,0]=4 1153 B5R0.1 CC(=O)CC#N MCULE-7203242552 [0,0,1,0,0,0|2,0,1]=4 1154 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,0,1,0,0,0|2,0,0]=3 1155 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,0,1,0,0,0|2,0,0]=3 1156 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,0,1,0,0,0|2,0,0]=3 1157 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,0,1,0,0,0|2,0,0]=3 1158 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,0,1,0,0,0|2,0,0]=3 1159 B5R0.1 CC(=O)N=C=S MCULE-7540453687 [0,0,1,0,0,0|2,0,1]=4 1160 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [0,0,1,0,0,0|3,0,0]=4 1161 B5R0.1 CC(=O)NC#N MCULE-8444599659 [0,0,1,0,0,0|2,0,1]=4 1162 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,0,1,0,0,0|2,0,0]=3 1163 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,0,1,0,0,0|1,0,0]=2 1164 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,0,1,0,0,0|1,0,0]=2 1165 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,0,1,0,0,0|1,1,0]=3 1166 B5R0.1 CC(C)OCCl MCULE-3680602217 [0,0,1,0,0,0|2,0,1]=4 1167 B5R0.1 CC(O)CCBr MCULE-7983169885 [0,0,1,0,0,0|2,0,1]=4 1168 B5R0.1 CC(O)CCCl MCULE-2952545606 [0,0,1,0,0,0|2,0,1]=4 1169 B5R0.1 CC(O)CCN MCULE-6836791276 [0,0,1,0,0,0|2,0,1]=4 1170 B5R0.1 CC(O)CCN MCULE-7186260925 [0,0,1,0,0,0|2,0,1]=4 1171 B5R0.1 CC(O)CCO MCULE-1694239851 [0,0,1,0,0,0|2,0,1]=4 1172 B5R0.1 CC(O)CCO MCULE-7784884948 [0,0,1,0,0,0|2,0,1]=4 1173 B5R0.1 CC=CC(=O)C MCULE-4826977340 [0,0,1,0,0,0|1,0,1]=3 1174 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [0,0,1,0,0,0|1,0,2]=4 1175 B5R0.1 CC=CC(=O)N MCULE-9693879476 [0,0,1,0,0,0|1,0,2]=4 1176 B5R0.1 CC=CC(=O)O MCULE-7970410217 [0,0,1,0,0,0|0,0,2]=3 1177 B5R0.1 CCC=C(C)C MCULE-2405063894 [0,0,1,0,0,0|2,0,0]=3 1178 B5R0.1 CCC=C(F)F MCULE-5180612061 [0,0,1,0,0,0|2,0,1]=4 1179 B5R0.1 CCCB(O)O MCULE-4994980798 [0,0,1,0,0,0|1,0,1]=3 1180 B5R0.1 CCCC(=N)N MCULE-5974105638 [0,0,1,0,0,0|2,0,0]=3 1181 B5R0.1 CCCC(=N)N MCULE-9230704591 [0,0,1,0,0,0|2,0,0]=3 1182 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,0,1,0,0,0|1,0,0]=2 1183 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,0,1,0,0,0|1,0,0]=2 1184 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,0,1,0,0,0|1,0,0]=2 1185 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,0,1,0,0,0|0,0,0]=1 1186 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,0,1,0,0,0|0,0,1]=2 1187 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,0,1,0,0,0|0,0,1]=2 1188 B5R0.1 CCCC(=S)N MCULE-3529335988 [0,0,1,0,0,0|1,1,0]=3 1189 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,0,1,0,0,0|0,1,0]=2 1190 B5R0.1 CCCC(C)Br MCULE-3178073667 [0,0,1,0,0,0|2,0,1]=4 1191 B5R0.1 CCCC(C)C MCULE-9604552974 [0,0,1,0,0,0|2,0,1]=4 1192 B5R0.1 CCCC(C)N MCULE-2640298430 [0,0,1,0,0,0|2,0,1]=4 1193 B5R0.1 CCCC(C)N MCULE-7225905167 [0,0,1,0,0,0|2,0,1]=4 1194 B5R0.1 CCCC(C)O MCULE-8205906299 [0,0,1,0,0,0|1,0,1]=3 1195 B5R0.1 CCCC(C)S MCULE-1649095713 [0,0,1,0,0,0|1,1,1]=4 1196 B5R0.1 CCCC(O)Cl MCULE-3188577082 [0,0,1,0,0,0|1,0,1]=3 1197 B5R0.1 CCCN(=O)=O MCULE-5615753372 [0,0,1,0,0,0|1,0,1]=3 1198 B5R0.1 CCCN(C)C MCULE-8702643596 [0,0,1,0,0,0|3,0,0]=4 1199 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [0,0,1,0,0,0|1,0,1]=3 1200 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [0,0,1,0,0,0|1,0,1]=3 1201 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [0,0,1,0,0,0|2,0,1]=4 1202 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [0,0,1,0,0,0|2,0,1]=4 1203 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [0,0,1,0,0,0|2,0,1]=4 1204 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [0,0,1,0,0,0|2,0,1]=4 1205 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [0,0,1,0,0,0|1,0,1]=3 1206 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [0,0,1,0,0,0|2,0,1]=4 1207 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [0,0,1,0,0,0|2,0,1]=4 1208 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [0,0,1,0,0,0|2,0,1]=4 1209 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [0,0,1,0,0,0|2,0,1]=4 1210 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [0,0,1,0,0,0|1,0,1]=3 1211 B5R0.1 CCNC(=N)N MCULE-4729418155 [0,0,1,0,0,0|3,0,0]=4 1212 B5R0.1 CCNC(=N)N MCULE-5123343071 [0,0,1,0,0,0|3,0,0]=4 1213 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,0,1,0,0,0|1,0,0]=2 1214 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [0,0,1,0,0,0|2,0,0]=3 1215 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,0,1,0,0,0|2,0,0]=3 1216 B5R0.1 CCNC(=S)N MCULE-3849517146 [0,0,1,0,0,0|2,1,0]=4 1217 B5R0.1 CCNC(C)C MCULE-8064118469 [0,0,1,0,0,0|2,0,1]=4 1218 B5R0.1 CCOC(=N)C MCULE-3060267072 [0,0,1,0,0,0|1,0,0]=2 1219 B5R0.1 CCOC(=N)C MCULE-3943786182 [0,0,1,0,0,0|1,0,0]=2 1220 B5R0.1 CCOC(=N)N MCULE-3570858508 [0,0,1,0,0,0|2,0,0]=3 1221 B5R0.1 CCOC(=N)N MCULE-6061063856 [0,0,1,0,0,0|2,0,0]=3 1222 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,0,1,0,0,0|0,0,0]=1 1223 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [0,0,1,0,0,0|1,0,0]=2 1224 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,0,1,0,0,0|1,0,0]=2 1225 B5R0.1 CCOC(=S)C MCULE-3358897597 [0,0,1,0,0,0|0,1,0]=2 1226 B5R0.1 CCOC(=S)N MCULE-4649285010 [0,0,1,0,0,0|1,1,0]=3 1227 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [0,0,1,0,0,0|1,1,0]=3 1228 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [0,0,1,0,0,0|1,1,0]=3 1229 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [0,0,1,0,0,0|1,1,0]=3 1230 B5R0.1 CCOC(C)C MCULE-1934548340 [0,0,1,0,0,0|1,0,1]=3 1231 B5R0.1 CCOC(C)Cl MCULE-8486994638 [0,0,1,0,0,0|1,0,1]=3 1232 B5R0.1 CCOP(Cl)Cl MCULE-1218379857 [0,0,1,0,0,0|3,0,0]=4 1233 B5R0.1 CCSC(=N)N MCULE-2161729152 [0,0,1,0,0,0|2,1,0]=4 1234 B5R0.1 CCSC(=N)N MCULE-2547252984 [0,0,1,0,0,0|2,1,0]=4 1235 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,0,1,0,0,0|0,1,0]=2 1236 B5R0.1 CCSC(=S)C MCULE-1502137460 [0,0,1,0,0,0|0,2,0]=3 1237 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [0,0,1,0,0,0|1,2,0]=4 1238 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [0,0,1,0,0,0|1,2,0]=4 1239 B5R0.1 CCSC(C)C MCULE-3738251898 [0,0,1,0,0,0|1,1,1]=4 1240 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [0,0,1,0,0,0|3,0,0]=4 1241 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [0,0,1,0,0,0|2,0,1]=4 1242 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [0,0,1,0,0,0|2,0,1]=4 1243 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,0,1,0,0,0|2,0,0]=3 1244 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,0,1,0,0,0|2,0,0]=3 1245 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,0,1,0,0,0|2,0,0]=3 1246 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,0,1,0,0,0|2,0,0]=3 1247 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,0,1,0,0,0|2,0,0]=3 1248 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,0,1,0,0,0|1,0,0]=2 1249 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,0,1,0,0,0|1,0,0]=2 1250 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,0,1,0,0,0|1,0,1]=3 1251 B5R0.1 CNCC(C)O MCULE-3671071529 [0,0,1,0,0,0|2,0,1]=4 1252 B5R0.1 CNCC(C)O MCULE-4171705304 [0,0,1,0,0,0|2,0,1]=4 1253 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [0,0,1,0,0,0|2,0,1]=4 1254 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [0,0,1,0,0,0|2,0,1]=4 1255 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [0,0,1,0,0,0|2,0,1]=4 1256 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [0,0,1,0,0,0|2,0,1]=4 1257 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [0,0,1,0,0,0|2,0,1]=4 1258 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [0,0,1,0,0,0|2,0,1]=4 1259 B5R0.1 CNN=C(C)C MCULE-6307375856 [0,0,1,0,0,0|3,0,0]=4 1260 B5R0.1 CNOC(=O)C MCULE-1464426541 [0,0,1,0,0,0|1,0,0]=2 1261 B5R0.1 CNOC(=O)C MCULE-2976282666 [0,0,1,0,0,0|1,0,0]=2 1262 B5R0.1 COC=C(C)C MCULE-6348538911 [0,0,1,0,0,0|3,0,0]=4 1263 B5R0.1 COCC(=N)N MCULE-4711728356 [0,0,1,0,0,0|3,0,0]=4 1264 B5R0.1 COCC(=N)N MCULE-7163250467 [0,0,1,0,0,0|3,0,0]=4 1265 B5R0.1 COCC(=O)C MCULE-7262197587 [0,0,1,0,0,0|2,0,0]=3 1266 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,0,1,0,0,0|2,0,0]=3 1267 B5R0.1 COCC(=O)N MCULE-6674958132 [0,0,1,0,0,0|2,0,0]=3 1268 B5R0.1 COCC(=O)O MCULE-3945589151 [0,0,1,0,0,0|1,0,0]=2 1269 B5R0.1 COCC(=S)N MCULE-2046809269 [0,0,1,0,0,0|2,1,0]=4 1270 B5R0.1 COCC(C)O MCULE-4022733014 [0,0,1,0,0,0|2,0,1]=4 1271 B5R0.1 COCC(C)O MCULE-7513310960 [0,0,1,0,0,0|2,0,1]=4 1272 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [0,0,1,0,0,0|2,0,1]=4 1273 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [0,0,1,0,0,0|2,0,1]=4 1274 B5R0.1 COC[C@H](C)O MCULE-5908531683 [0,0,1,0,0,0|2,0,1]=4 1275 B5R0.1 COC[C@H](C)O MCULE-8619138238 [0,0,1,0,0,0|2,0,1]=4 1276 B5R0.1 CONC(=O)C MCULE-6601866630 [0,0,1,0,0,0|2,0,0]=3 1277 B5R0.1 CONC(=O)N MCULE-3063713861 [0,0,1,0,0,0|3,0,0]=4 1278 B5R0.1 CONC(=S)C MCULE-1876042939 [0,0,1,0,0,0|2,1,0]=4 1279 B5R0.1 CS(=O)CCBr MCULE-7846126230 [0,0,1,0,0,0|3,0,0]=4 1280 B5R0.1 CS(=O)CCCl MCULE-7012781505 [0,0,1,0,0,0|3,0,0]=4 1281 B5R0.1 CS(=O)CCN MCULE-6497874560 [0,0,1,0,0,0|3,0,0]=4 1282 B5R0.1 CS(=O)CCN MCULE-8275663766 [0,0,1,0,0,0|3,0,0]=4 1283 B5R0.1 CS(=O)CCN MCULE-8330490290 [0,0,1,0,0,0|3,0,0]=4 1284 B5R0.1 CS(=O)CCO MCULE-8331553582 [0,0,1,0,0,0|3,0,0]=4 1285 B5R0.1 CSCC(=N)N MCULE-7800929509 [0,0,1,0,0,0|3,0,0]=4 1286 B5R0.1 CSCC(=N)N MCULE-8499985777 [0,0,1,0,0,0|3,0,0]=4 1287 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,0,1,0,0,0|2,0,0]=3 1288 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [0,0,1,0,0,0|2,0,0]=3 1289 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,0,1,0,0,0|2,0,0]=3 1290 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,0,1,0,0,0|1,0,0]=2 1291 B5R0.1 CSCC(=S)N MCULE-5029100305 [0,0,1,0,0,0|2,1,0]=4 1292 B5R0.1 CSCC(C)O MCULE-2227652351 [0,0,1,0,0,0|2,0,1]=4 1293 B5R0.1 CSCS(=O)C MCULE-3167702486 [0,0,1,0,0,0|3,0,0]=4 1294 B5R0.1 CSNC(=O)C MCULE-7350061514 [0,0,1,0,0,0|2,0,0]=3 1295 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [0,0,1,0,0,0|2,0,1]=4 1296 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [0,0,1,0,0,0|2,0,1]=4 1297 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [0,0,1,0,0,0|2,0,1]=4 1298 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [0,0,1,0,0,0|2,0,1]=4 1299 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [0,0,1,0,0,0|2,0,1]=4 1300 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [0,0,1,0,0,0|2,0,1]=4 1301 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [0,0,1,0,0,0|2,0,1]=4 1302 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [0,0,1,0,0,0|2,0,1]=4 1303 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [0,0,1,0,0,0|2,0,1]=4 1304 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [0,0,1,0,0,0|2,0,1]=4 1305 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [0,0,1,0,0,0|3,0,0]=4 1306 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [0,0,1,0,0,0|2,0,1]=4 1307 B5R0.1 N#CCC(=O)N MCULE-8538286230 [0,0,1,0,0,0|2,0,1]=4 1308 B5R0.1 N#CCC(=O)O MCULE-3440765061 [0,0,1,0,0,0|1,0,1]=3 1309 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [0,0,1,0,0,0|1,0,2]=4 1310 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [0,0,1,0,0,0|1,0,2]=4 1311 B5R0.1 N=C(N)CCCl MCULE-2314996365 [0,0,1,0,0,0|3,0,0]=4 1312 B5R0.1 N=C(N)CCCl MCULE-3129838313 [0,0,1,0,0,0|3,0,0]=4 1313 B5R0.1 N=C(N)CCO MCULE-4567824707 [0,0,1,0,0,0|3,0,0]=4 1314 B5R0.1 N=C(N)CCO MCULE-7139693715 [0,0,1,0,0,0|3,0,0]=4 1315 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,0,1,0,0,0|2,0,0]=3 1316 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,0,1,0,0,0|2,0,0]=3 1317 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,0,1,0,0,0|2,0,0]=3 1318 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,0,1,0,0,0|2,0,0]=3 1319 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,0,1,0,0,0|3,0,0]=4 1320 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,0,1,0,0,0|2,0,0]=3 1321 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,0,1,0,0,0|2,0,0]=3 1322 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,0,1,0,0,0|2,0,0]=3 1323 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,0,1,0,0,0|1,0,0]=2 1324 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,0,1,0,0,0|1,0,0]=2 1325 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,0,1,0,0,0|1,0,0]=2 1326 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,0,1,0,0,0|1,0,1]=3 1327 B5R0.1 NCCN(=O)=O MCULE-8137427440 [0,0,1,0,0,0|2,0,1]=4 1328 B5R0.1 NCCP(=O)O MCULE-7093964616 [0,0,1,0,0,0|2,0,0]=3 1329 B5R0.1 NCCS(=O)O MCULE-4372248641 [0,0,1,0,0,0|2,0,0]=3 1330 B5R0.1 NNCC(=O)N MCULE-2794619708 [0,0,1,0,0,0|3,0,0]=4 1331 B5R0.1 NNCC(=O)N MCULE-6773156087 [0,0,1,0,0,0|3,0,0]=4 1332 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,0,1,0,0,0|2,0,0]=3 1333 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,0,1,0,0,0|2,0,0]=3 1334 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,0,1,0,0,0|2,0,0]=3 1335 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,0,1,0,0,0|2,0,0]=3 1336 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,0,1,0,0,0|2,0,0]=3 1337 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,0,1,0,0,0|2,0,0]=3 1338 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [0,0,1,0,0,0|2,0,0]=3 1339 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [0,0,1,0,0,0|2,0,0]=3 1340 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [0,0,1,0,0,0|2,0,0]=3 1341 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [0,0,1,0,0,0|1,0,2]=4 1342 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [0,0,1,0,0,0|1,0,2]=4 1343 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [0,0,1,0,0,0|1,0,2]=4 1344 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [0,0,1,0,0,0|1,0,2]=4 1345 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [0,0,1,0,0,0|1,0,2]=4 1346 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [0,0,1,0,0,0|1,0,2]=4 1347 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [0,0,1,0,0,0|2,0,1]=4 1348 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [0,0,1,0,0,0|1,0,2]=4 1349 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [0,0,1,0,0,0|1,0,2]=4 1350 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [0,0,1,0,0,0|1,0,2]=4 1351 B5R0.1 O=C(O)C=CI MCULE-7162332129 [0,0,1,0,0,0|1,0,2]=4 1352 B5R0.1 O=C(O)C=NO MCULE-2039309679 [0,0,1,0,0,0|2,0,1]=4 1353 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,0,1,0,0,0|1,0,0]=2 1354 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,0,1,0,0,0|1,0,0]=2 1355 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,0,1,0,0,0|1,0,0]=2 1356 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,0,1,0,0,0|1,0,0]=2 1357 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,0,1,0,0,0|1,0,0]=2 1358 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,0,1,0,0,0|1,0,0]=2 1359 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,0,1,0,0,0|2,0,0]=3 1360 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,0,1,0,0,0|1,0,1]=3 1361 B5R0.1 O=N(=O)CCO MCULE-2060841405 [0,0,1,0,0,0|2,0,1]=4 1362 B5R0.1 O=N(=O)CCS MCULE-4845430658 [0,0,1,0,0,0|2,0,1]=4 1363 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [0,0,1,0,0,0|1,0,1]=3 1364 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [0,0,1,0,0,0|2,0,1]=4 1365 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [0,0,1,0,0,0|1,0,1]=3 1366 B5R0.2 BrCCCCBr MCULE-5088378536 [0,0,1,0,0,0|2,0,1]=4 1367 B5R0.2 C#CCCC=C MCULE-4858099861 [0,0,1,0,0,0|2,0,1]=4 1368 B5R0.2 C#CCCC=O MCULE-9994552907 [0,0,1,0,0,0|1,0,1]=3 1369 B5R0.2 C#CCCCBr MCULE-3834416844 [0,0,1,0,0,0|2,0,1]=4 1370 B5R0.2 C#CCCCC MCULE-5706969297 [0,0,1,0,0,0|2,0,1]=4 1371 B5R0.2 C#CCCCCl MCULE-3879115419 [0,0,1,0,0,0|2,0,1]=4 1372 B5R0.2 C#CCCCI MCULE-4063232871 [0,0,1,0,0,0|2,0,1]=4 1373 B5R0.2 C#CCCCN MCULE-3191305523 [0,0,1,0,0,0|2,0,1]=4 1374 B5R0.2 C#CCCCN MCULE-3259677872 [0,0,1,0,0,0|2,0,1]=4 1375 B5R0.2 C#CCCCO MCULE-6360852809 [0,0,1,0,0,0|1,0,1]=3 1376 B5R0.2 C/C=C/CCC MCULE-9851656818 [0,0,1,0,0,0|2,0,0]=3 1377 B5R0.2 C/C=C/CCO MCULE-3952855392 [0,0,1,0,0,0|1,0,1]=3 1378 B5R0.2 C/C=C/OCC MCULE-2891896400 [0,0,1,0,0,0|3,0,0]=4 1379 B5R0.2 C/C=C\CCC MCULE-1013657748 [0,0,1,0,0,0|2,0,0]=3 1380 B5R0.2 C=C/C=C/CC MCULE-5996202716 [0,0,1,0,0,0|2,0,1]=4 1381 B5R0.2 C=C=CCCO MCULE-1054355649 [0,0,1,0,0,0|1,0,2]=4 1382 B5R0.2 C=CC#CCO MCULE-5199716906 [0,0,1,0,0,0|1,0,2]=4 1383 B5R0.2 C=CCCC#N MCULE-8967750268 [0,0,1,0,0,0|2,0,1]=4 1384 B5R0.2 C=CCCC=C MCULE-2599309974 [0,0,1,0,0,0|2,0,1]=4 1385 B5R0.2 C=CCCC=O MCULE-7850336174 [0,0,1,0,0,0|1,0,1]=3 1386 B5R0.2 C=CCCCBr MCULE-5027518679 [0,0,1,0,0,0|2,0,0]=3 1387 B5R0.2 C=CCCCC MCULE-4750698031 [0,0,1,0,0,0|2,0,0]=3 1388 B5R0.2 C=CCCCCl MCULE-3877430809 [0,0,1,0,0,0|2,0,0]=3 1389 B5R0.2 C=CCCCI MCULE-8692831514 [0,0,1,0,0,0|2,0,0]=3 1390 B5R0.2 C=CCCCN MCULE-5787926547 [0,0,1,0,0,0|2,0,0]=3 1391 B5R0.2 C=CCCCN MCULE-7346989227 [0,0,1,0,0,0|2,0,0]=3 1392 B5R0.2 C=CCCCO MCULE-5946342321 [0,0,1,0,0,0|1,0,0]=2 1393 B5R0.2 C=CCCNC MCULE-2124263362 [0,0,1,0,0,0|3,0,0]=4 1394 B5R0.2 C=CCCNC MCULE-5024925990 [0,0,1,0,0,0|3,0,0]=4 1395 B5R0.2 C=CCCOC MCULE-4681354270 [0,0,1,0,0,0|3,0,0]=4 1396 B5R0.2 C=CCCON MCULE-3476228435 [0,0,1,0,0,0|3,0,0]=4 1397 B5R0.2 C=CCCON MCULE-9206052895 [0,0,1,0,0,0|3,0,0]=4 1398 B5R0.2 C=CCNC=O MCULE-1911798514 [0,0,1,0,0,0|1,0,2]=4 1399 B5R0.2 C=CCNCC MCULE-6987567673 [0,0,1,0,0,0|3,0,0]=4 1400 B5R0.2 C=CCNCC MCULE-8318544337 [0,0,1,0,0,0|3,0,0]=4 1401 B5R0.2 C=CCOC=C MCULE-7085070702 [0,0,1,0,0,0|1,0,2]=4 1402 B5R0.2 C=CCOC=O MCULE-4161785970 [0,0,1,0,0,0|0,0,2]=3 1403 B5R0.2 C=CCOCC MCULE-4363356618 [0,0,1,0,0,0|3,0,0]=4 1404 B5R0.2 C=CCOCCl MCULE-6656252526 [0,0,1,0,0,0|3,0,0]=4 1405 B5R0.2 C=CCSCC MCULE-3816911529 [0,0,1,0,0,0|3,0,0]=4 1406 B5R0.2 C=COCCC MCULE-4423853666 [0,0,1,0,0,0|1,0,0]=2 1407 B5R0.2 C=COCCCl MCULE-7782311030 [0,0,1,0,0,0|2,0,0]=3 1408 B5R0.2 C=COCCN MCULE-8052872924 [0,0,1,0,0,0|2,0,0]=3 1409 B5R0.2 C=COCCN MCULE-8496820259 [0,0,1,0,0,0|2,0,0]=3 1410 B5R0.2 C=COCCO MCULE-9383372818 [0,0,1,0,0,0|2,0,0]=3 1411 B5R0.2 CC#CCC=O MCULE-6071390808 [0,0,1,0,0,0|1,0,2]=4 1412 B5R0.2 CC#CCCC MCULE-8179328151 [0,0,1,0,0,0|2,0,1]=4 1413 B5R0.2 CC#CCCO MCULE-9400138491 [0,0,1,0,0,0|1,0,2]=4 1414 B5R0.2 CC/C=C/C=O MCULE-5102906061 [0,0,1,0,0,0|1,0,1]=3 1415 B5R0.2 CC=CCCBr MCULE-7329159278 [0,0,1,0,0,0|2,0,1]=4 1416 B5R0.2 CC=CCCC MCULE-8736231124 [0,0,1,0,0,0|2,0,0]=3 1417 B5R0.2 CC=CCCN MCULE-5129102475 [0,0,1,0,0,0|2,0,1]=4 1418 B5R0.2 CC=CCCN MCULE-8500001929 [0,0,1,0,0,0|2,0,1]=4 1419 B5R0.2 CC=CCCO MCULE-4302367089 [0,0,1,0,0,0|1,0,1]=3 1420 B5R0.2 CC=COCC MCULE-1473170404 [0,0,1,0,0,0|3,0,0]=4 1421 B5R0.2 CCC#CC=O MCULE-3889262436 [0,0,1,0,0,0|1,0,1]=3 1422 B5R0.2 CCC=CC=O MCULE-1318250395 [0,0,1,0,0,0|1,0,1]=3 1423 B5R0.2 CCCC#CI MCULE-5016901652 [0,0,1,0,0,0|2,0,1]=4 1424 B5R0.2 CCCC=NO MCULE-7364375780 [0,0,1,0,0,0|2,0,1]=4 1425 B5R0.2 CCCCC#N MCULE-4015236167 [0,0,1,0,0,0|2,0,1]=4 1426 B5R0.2 CCCCC=O MCULE-4736782822 [0,0,1,0,0,0|1,0,0]=2 1427 B5R0.2 CCCCCBr MCULE-8513521912 [0,0,1,0,0,0|2,0,1]=4 1428 B5R0.2 CCCCCC MCULE-3465692202 [0,0,1,0,0,0|2,0,1]=4 1429 B5R0.2 CCCCCCl MCULE-4412759460 [0,0,1,0,0,0|2,0,1]=4 1430 B5R0.2 CCCCCF MCULE-6399883281 [0,0,1,0,0,0|2,0,1]=4 1431 B5R0.2 CCCCCI MCULE-4590300793 [0,0,1,0,0,0|2,0,1]=4 1432 B5R0.2 CCCCCN MCULE-3371742982 [0,0,1,0,0,0|2,0,1]=4 1433 B5R0.2 CCCCCN MCULE-4371067300 [0,0,1,0,0,0|2,0,1]=4 1434 B5R0.2 CCCCCN MCULE-6547961798 [0,0,1,0,0,0|2,0,1]=4 1435 B5R0.2 CCCCCN MCULE-7483248760 [0,0,1,0,0,0|2,0,1]=4 1436 B5R0.2 CCCCCO MCULE-8714292632 [0,0,1,0,0,0|1,0,1]=3 1437 B5R0.2 CCCCCS MCULE-5476379340 [0,0,1,0,0,0|1,1,1]=4 1438 B5R0.2 CCCCNC MCULE-9321610906 [0,0,1,0,0,0|3,0,0]=4 1439 B5R0.2 CCCCNN MCULE-6681305566 [0,0,1,0,0,0|3,0,0]=4 1440 B5R0.2 CCCCNN MCULE-6890760890 [0,0,1,0,0,0|3,0,0]=4 1441 B5R0.2 CCCCNN MCULE-7362497327 [0,0,1,0,0,0|3,0,0]=4 1442 B5R0.2 CCCCNN MCULE-8463623644 [0,0,1,0,0,0|3,0,0]=4 1443 B5R0.2 CCCCNO MCULE-1911206569 [0,0,1,0,0,0|2,0,1]=4 1444 B5R0.2 CCCCNO MCULE-3820646216 [0,0,1,0,0,0|2,0,1]=4 1445 B5R0.2 CCCCOC MCULE-9814272675 [0,0,1,0,0,0|3,0,0]=4 1446 B5R0.2 CCCCON MCULE-7582349983 [0,0,1,0,0,0|3,0,0]=4 1447 B5R0.2 CCCCON MCULE-8175627798 [0,0,1,0,0,0|3,0,0]=4 1448 B5R0.2 CCCCSC MCULE-2799775567 [0,0,1,0,0,0|3,0,0]=4 1449 B5R0.2 CCCN=C=O MCULE-9014468293 [0,0,1,0,0,0|1,0,1]=3 1450 B5R0.2 CCCN=C=S MCULE-7947940355 [0,0,1,0,0,0|1,1,1]=4 1451 B5R0.2 CCCNC=O MCULE-6344556391 [0,0,1,0,0,0|1,0,0]=2 1452 B5R0.2 CCCNCC MCULE-7948828264 [0,0,1,0,0,0|2,0,1]=4 1453 B5R0.2 CCCNCC MCULE-9107549207 [0,0,1,0,0,0|2,0,1]=4 1454 B5R0.2 CCCOC=O MCULE-3133604529 [0,0,1,0,0,0|0,0,0]=1 1455 B5R0.2 CCCOCBr MCULE-3585683043 [0,0,1,0,0,0|1,0,1]=3 1456 B5R0.2 CCCOCC MCULE-9971916790 [0,0,1,0,0,0|1,0,1]=3 1457 B5R0.2 CCCOCCl MCULE-1932627202 [0,0,1,0,0,0|1,0,1]=3 1458 B5R0.2 CCCSC#N MCULE-9018157774 [0,0,1,0,0,0|1,1,1]=4 1459 B5R0.2 CCCSCC MCULE-4547385568 [0,0,1,0,0,0|1,1,1]=4 1460 B5R0.2 CCCSSC MCULE-3127072032 [0,0,1,0,0,0|2,1,0]=4 1461 B5R0.2 CCNCCO MCULE-2537734730 [0,0,1,0,0,0|2,0,1]=4 1462 B5R0.2 CCNCCO MCULE-3738714907 [0,0,1,0,0,0|2,0,1]=4 1463 B5R0.2 CCO/C=C\Br MCULE-7396084973 [0,0,1,0,0,0|3,0,0]=4 1464 B5R0.2 CCOC=CBr MCULE-5241125671 [0,0,1,0,0,0|3,0,0]=4 1465 B5R0.2 CCOCCBr MCULE-4818900555 [0,0,1,0,0,0|2,0,1]=4 1466 B5R0.2 CCOCCCl MCULE-1290576729 [0,0,1,0,0,0|2,0,1]=4 1467 B5R0.2 CCOCCI MCULE-1833092968 [0,0,1,0,0,0|2,0,1]=4 1468 B5R0.2 CCOCCN MCULE-1254431240 [0,0,1,0,0,0|2,0,1]=4 1469 B5R0.2 CCOCCN MCULE-4039110889 [0,0,1,0,0,0|2,0,1]=4 1470 B5R0.2 CCOCCN MCULE-4400456933 [0,0,1,0,0,0|2,0,1]=4 1471 B5R0.2 CCOCCO MCULE-4311513289 [0,0,1,0,0,0|2,0,1]=4 1472 B5R0.2 CCOCCS MCULE-3968740645 [0,0,1,0,0,0|2,0,1]=4 1473 B5R0.2 CCSCC=O MCULE-8069035019 [0,0,1,0,0,0|2,0,0]=3 1474 B5R0.2 CCSCCO MCULE-3557086162 [0,0,1,0,0,0|2,0,1]=4 1475 B5R0.2 CNCCCBr MCULE-3376600253 [0,0,1,0,0,0|3,0,0]=4 1476 B5R0.2 CNCCCBr MCULE-6212326106 [0,0,1,0,0,0|3,0,0]=4 1477 B5R0.2 CNCCCCl MCULE-1007719210 [0,0,1,0,0,0|3,0,0]=4 1478 B5R0.2 CNCCCCl MCULE-6146901643 [0,0,1,0,0,0|3,0,0]=4 1479 B5R0.2 CNCCCF MCULE-7647417887 [0,0,1,0,0,0|3,0,0]=4 1480 B5R0.2 CNCCCN MCULE-1736081896 [0,0,1,0,0,0|3,0,0]=4 1481 B5R0.2 CNCCCO MCULE-9530478547 [0,0,1,0,0,0|2,0,0]=3 1482 B5R0.2 CNOCCN MCULE-3163962093 [0,0,1,0,0,0|3,0,0]=4 1483 B5R0.2 CNOCCN MCULE-7379538500 [0,0,1,0,0,0|3,0,0]=4 1484 B5R0.2 COCCC=O MCULE-2812117208 [0,0,1,0,0,0|2,0,0]=3 1485 B5R0.2 COCCCBr MCULE-6489536401 [0,0,1,0,0,0|3,0,0]=4 1486 B5R0.2 COCCCCl MCULE-9192274624 [0,0,1,0,0,0|3,0,0]=4 1487 B5R0.2 COCCCF MCULE-5055725246 [0,0,1,0,0,0|3,0,0]=4 1488 B5R0.2 COCCCI MCULE-9111605439 [0,0,1,0,0,0|3,0,0]=4 1489 B5R0.2 COCCCN MCULE-1421362990 [0,0,1,0,0,0|3,0,0]=4 1490 B5R0.2 COCCCN MCULE-4783132205 [0,0,1,0,0,0|3,0,0]=4 1491 B5R0.2 COCCCO MCULE-4041418048 [0,0,1,0,0,0|2,0,0]=3 1492 B5R0.2 COCCCS MCULE-2371333731 [0,0,1,0,0,0|2,1,0]=4 1493 B5R0.2 COCN=C=O MCULE-6951734265 [0,0,1,0,0,0|2,0,1]=4 1494 B5R0.2 CONCCO MCULE-9787830121 [0,0,1,0,0,0|3,0,0]=4 1495 B5R0.2 CSCCC=O MCULE-6273241704 [0,0,1,0,0,0|2,0,0]=3 1496 B5R0.2 CSCCCBr MCULE-8399851816 [0,0,1,0,0,0|3,0,0]=4 1497 B5R0.2 CSCCCCl MCULE-1829120476 [0,0,1,0,0,0|3,0,0]=4 1498 B5R0.2 CSCCCN MCULE-1030938424 [0,0,1,0,0,0|3,0,0]=4 1499 B5R0.2 CSCCCN MCULE-4664984921 [0,0,1,0,0,0|3,0,0]=4 1500 B5R0.2 CSCCCO MCULE-9232413185 [0,0,1,0,0,0|2,0,0]=3 1501 B5R0.2 CSCCCS MCULE-8405766359 [0,0,1,0,0,0|2,1,0]=4 1502 B5R0.2 ClCCCCBr MCULE-7973194927 [0,0,1,0,0,0|2,0,1]=4 1503 B5R0.2 ClCCCCCl MCULE-4863501782 [0,0,1,0,0,0|2,0,1]=4 1504 B5R0.2 ClCCCCI MCULE-4303507089 [0,0,1,0,0,0|2,0,1]=4 1505 B5R0.2 ClCCOCCl MCULE-7585684590 [0,0,1,0,0,0|2,0,1]=4 1506 B5R0.2 ClCOCCBr MCULE-6843473950 [0,0,1,0,0,0|2,0,1]=4 1507 B5R0.2 FCCCCBr MCULE-8408956872 [0,0,1,0,0,0|2,0,1]=4 1508 B5R0.2 FCCCCF MCULE-1347438150 [0,0,1,0,0,0|2,0,1]=4 1509 B5R0.2 ICCCCI MCULE-1390457250 [0,0,1,0,0,0|2,0,1]=4 1510 B5R0.2 N#CCCC=O MCULE-9521735106 [0,0,1,0,0,0|1,0,1]=3 1511 B5R0.2 N#CCCCBr MCULE-2664469446 [0,0,1,0,0,0|2,0,1]=4 1512 B5R0.2 N#CCCCCl MCULE-3310172135 [0,0,1,0,0,0|2,0,1]=4 1513 B5R0.2 N#CCCCF MCULE-3514322336 [0,0,1,0,0,0|2,0,1]=4 1514 B5R0.2 N#CCCCI MCULE-7661529037 [0,0,1,0,0,0|2,0,1]=4 1515 B5R0.2 N#CCCCN MCULE-7159177087 [0,0,1,0,0,0|2,0,1]=4 1516 B5R0.2 N#CCCCN MCULE-8406710235 [0,0,1,0,0,0|2,0,1]=4 1517 B5R0.2 N#CCCCO MCULE-2108386837 [0,0,1,0,0,0|1,0,1]=3 1518 B5R0.2 N#CCOC=O MCULE-4453241991 [0,0,1,0,0,0|1,0,1]=3 1519 B5R0.2 N#N=NCC=O MCULE-8370335984 [0,0,1,0,0,0|3,0,0]=4 1520 B5R0.2 N#N=NCCO MCULE-6147827656 [0,0,1,0,0,0|3,0,0]=4 1521 B5R0.2 NCCCCBr MCULE-7095299053 [0,0,1,0,0,0|2,0,1]=4 1522 B5R0.2 NCCCCBr MCULE-7716027825 [0,0,1,0,0,0|2,0,1]=4 1523 B5R0.2 NCCCCCl MCULE-8484381726 [0,0,1,0,0,0|2,0,1]=4 1524 B5R0.2 NCCCCCl MCULE-9917306082 [0,0,1,0,0,0|2,0,1]=4 1525 B5R0.2 NCCCCF MCULE-4260727945 [0,0,1,0,0,0|2,0,1]=4 1526 B5R0.2 NCCCCF MCULE-7716720921 [0,0,1,0,0,0|2,0,1]=4 1527 B5R0.2 NCCCCN MCULE-3098044935 [0,0,1,0,0,0|2,0,1]=4 1528 B5R0.2 NCCCCN MCULE-7898833229 [0,0,1,0,0,0|2,0,1]=4 1529 B5R0.2 NCCCCN MCULE-8029479697 [0,0,1,0,0,0|2,0,1]=4 1530 B5R0.2 NCCCCN MCULE-8509656776 [0,0,1,0,0,0|2,0,1]=4 1531 B5R0.2 NCCCCO MCULE-7395674091 [0,0,1,0,0,0|1,0,1]=3 1532 B5R0.2 NCCCCS MCULE-4353910418 [0,0,1,0,0,0|1,1,1]=4 1533 B5R0.2 NCCCCS MCULE-9812416858 [0,0,1,0,0,0|1,1,1]=4 1534 B5R0.2 NCCCNN MCULE-7657257572 [0,0,1,0,0,0|3,0,0]=4 1535 B5R0.2 NCCCON MCULE-1071170242 [0,0,1,0,0,0|3,0,0]=4 1536 B5R0.2 NCCCON MCULE-7767315563 [0,0,1,0,0,0|3,0,0]=4 1537 B5R0.2 NNCCCO MCULE-5557482626 [0,0,1,0,0,0|2,0,0]=3 1538 B5R0.2 NNCCCO MCULE-7351853032 [0,0,1,0,0,0|2,0,0]=3 1539 B5R0.2 NNCCCO MCULE-7919314403 [0,0,1,0,0,0|2,0,0]=3 1540 B5R0.2 NOCCCO MCULE-1072312935 [0,0,1,0,0,0|2,0,0]=3 1541 B5R0.2 NOCCCO MCULE-3715520109 [0,0,1,0,0,0|2,0,0]=3 1542 B5R0.2 NOCCCS MCULE-2063976508 [0,0,1,0,0,0|2,1,0]=4 1543 B5R0.2 NOCCCS MCULE-3464018652 [0,0,1,0,0,0|2,1,0]=4 1544 B5R0.2 O=C=NCCBr MCULE-9707894644 [0,0,1,0,0,0|2,0,1]=4 1545 B5R0.2 O=C=NCCCl MCULE-8919918461 [0,0,1,0,0,0|2,0,1]=4 1546 B5R0.2 O=CCCC=O MCULE-3362810468 [0,0,1,0,0,0|0,0,2]=3 1547 B5R0.2 O=CCCC=O MCULE-3813951568 [0,0,1,0,0,0|0,0,2]=3 1548 B5R0.2 O=CCCCBr MCULE-7239613396 [0,0,1,0,0,0|1,0,0]=2 1549 B5R0.2 O=CCCCCl MCULE-3011225716 [0,0,1,0,0,0|1,0,0]=2 1550 B5R0.2 O=CCCCI MCULE-3153720790 [0,0,1,0,0,0|1,0,0]=2 1551 B5R0.2 O=CCCCO MCULE-8728420992 [0,0,1,0,0,0|0,0,0]=1 1552 B5R0.2 O=CNCCO MCULE-3688614090 [0,0,1,0,0,0|1,0,0]=2 1553 B5R0.2 O=COCCO MCULE-1922672843 [0,0,1,0,0,0|1,0,0]=2 1554 B5R0.2 OC=CCCBr MCULE-3964604828 [0,0,1,0,0,0|1,0,2]=4 1555 B5R0.2 OC=CCCBr MCULE-5728835735 [0,0,1,0,0,0|1,0,2]=4 1556 B5R0.2 OCCCCBr MCULE-9231591925 [0,0,1,0,0,0|1,0,1]=3 1557 B5R0.2 OCCCCCl MCULE-3507644812 [0,0,1,0,0,0|1,0,1]=3 1558 B5R0.2 OCCCCF MCULE-9242285588 [0,0,1,0,0,0|1,0,1]=3 1559 B5R0.2 OCCCCI MCULE-8723720522 [0,0,1,0,0,0|1,0,1]=3 1560 B5R0.2 OCCCCO MCULE-2010022287 [0,0,1,0,0,0|0,0,2]=3 1561 B5R0.2 OCCCCO MCULE-6551106098 [0,0,1,0,0,0|0,0,2]=3 1562 B5R0.2 OCCCCS MCULE-8169490949 [0,0,1,0,0,0|0,1,1]=3 1563 B5R0.2 OCCNCO MCULE-2141033453 [0,0,1,0,0,0|1,0,2]=4 1564 B5R0.2 SCCCCS MCULE-6695609899 [0,0,1,0,0,0|0,2,1]=4 1565 B5R0.3 C#CC(=O)CC MCULE-1563732373 [0,0,1,0,0,0|1,0,1]=3 1566 B5R0.3 C#CC(=O)NC MCULE-8852565705 [0,0,1,0,0,0|1,0,2]=4 1567 B5R0.3 C#CC(=O)OC MCULE-5108326717 [0,0,1,0,0,0|0,0,2]=3 1568 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [0,0,1,0,0,0|2,0,0]=3 1569 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [0,0,1,0,0,0|2,0,0]=3 1570 B5R0.3 C/N=C(\N)/SC MCULE-1114021101 [0,0,1,0,0,0|2,1,0]=4 1571 B5R0.3 C/N=C(\N)/SC MCULE-4249574209 [0,0,1,0,0,0|2,1,0]=4 1572 B5R0.3 C=C(C=O)CC MCULE-2875154067 [0,0,1,0,0,0|3,0,0]=4 1573 B5R0.3 C=C(CC)CBr MCULE-1652422688 [0,0,1,0,0,0|3,0,0]=4 1574 B5R0.3 C=C(CC)CC MCULE-9174509622 [0,0,1,0,0,0|2,0,0]=3 1575 B5R0.3 C=C(CC)CN MCULE-2269385026 [0,0,1,0,0,0|3,0,0]=4 1576 B5R0.3 C=C(CC)CN MCULE-3033447984 [0,0,1,0,0,0|3,0,0]=4 1577 B5R0.3 C=C(CC)CO MCULE-8127766352 [0,0,1,0,0,0|3,0,0]=4 1578 B5R0.3 C=C(SC)SC MCULE-8497326619 [0,0,1,0,0,0|2,1,0]=4 1579 B5R0.3 C=CC(=O)CC MCULE-7277696617 [0,0,1,0,0,0|1,0,1]=3 1580 B5R0.3 C=CC(=O)NC MCULE-5619481947 [0,0,1,0,0,0|1,0,2]=4 1581 B5R0.3 C=CC(=O)OC MCULE-6010665978 [0,0,1,0,0,0|0,0,2]=3 1582 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [0,0,1,0,0,0|3,0,0]=4 1583 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [0,0,1,0,0,0|3,0,0]=4 1584 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [0,0,1,0,0,0|3,0,0]=4 1585 B5R0.3 CC=C(C)CC MCULE-5790494157 [0,0,1,0,0,0|2,0,0]=3 1586 B5R0.3 CC=C(C)CCl MCULE-2444762050 [0,0,1,0,0,0|3,0,0]=4 1587 B5R0.3 CCC(=N)OC MCULE-4123543795 [0,0,1,0,0,0|1,0,0]=2 1588 B5R0.3 CCC(=N)OC MCULE-5346320805 [0,0,1,0,0,0|1,0,0]=2 1589 B5R0.3 CCC(=NO)C MCULE-1859652505 [0,0,1,0,0,0|3,0,0]=4 1590 B5R0.3 CCC(=O)CBr MCULE-7825573294 [0,0,1,0,0,0|2,0,0]=3 1591 B5R0.3 CCC(=O)CC MCULE-8236549739 [0,0,1,0,0,0|1,0,0]=2 1592 B5R0.3 CCC(=O)CCl MCULE-9019890380 [0,0,1,0,0,0|2,0,0]=3 1593 B5R0.3 CCC(=O)CN MCULE-1863418812 [0,0,1,0,0,0|2,0,0]=3 1594 B5R0.3 CCC(=O)CN MCULE-5831164340 [0,0,1,0,0,0|2,0,0]=3 1595 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,0,1,0,0,0|2,0,0]=3 1596 B5R0.3 CCC(=O)NC MCULE-5612060170 [0,0,1,0,0,0|1,0,0]=2 1597 B5R0.3 CCC(=O)NN MCULE-1803705917 [0,0,1,0,0,0|2,0,0]=3 1598 B5R0.3 CCC(=O)NO MCULE-1033164448 [0,0,1,0,0,0|2,0,0]=3 1599 B5R0.3 CCC(=O)OC MCULE-7384824725 [0,0,1,0,0,0|0,0,0]=1 1600 B5R0.3 CCC(=O)SC MCULE-9712192191 [0,0,1,0,0,0|0,1,0]=2 1601 B5R0.3 CCC(Br)CC MCULE-7435628721 [0,0,1,0,0,0|2,0,1]=4 1602 B5R0.3 CCC(C)CC MCULE-2542807917 [0,0,1,0,0,0|2,0,1]=4 1603 B5R0.3 CCC(C)NC MCULE-2676584804 [0,0,1,0,0,0|2,0,1]=4 1604 B5R0.3 CCC(C)NC MCULE-6158046887 [0,0,1,0,0,0|2,0,1]=4 1605 B5R0.3 CCC(C)OC MCULE-7354431606 [0,0,1,0,0,0|1,0,1]=3 1606 B5R0.3 CCC(C)ON MCULE-2907890438 [0,0,1,0,0,0|2,0,1]=4 1607 B5R0.3 CCC(C)ON MCULE-4364205813 [0,0,1,0,0,0|2,0,1]=4 1608 B5R0.3 CCC(I)CC MCULE-1119844552 [0,0,1,0,0,0|2,0,1]=4 1609 B5R0.3 CCC(N)CC MCULE-4261937519 [0,0,1,0,0,0|2,0,1]=4 1610 B5R0.3 CCC(N)CC MCULE-5899128891 [0,0,1,0,0,0|2,0,1]=4 1611 B5R0.3 CCC(O)CC MCULE-5553645045 [0,0,1,0,0,0|1,0,2]=4 1612 B5R0.3 CCC(S)CC MCULE-2556259434 [0,0,1,0,0,0|1,1,1]=4 1613 B5R0.3 CCN(C)CC MCULE-7207964917 [0,0,1,0,0,0|3,0,0]=4 1614 B5R0.3 CCN(N)CC MCULE-9853386945 [0,0,1,0,0,0|3,0,0]=4 1615 B5R0.3 CCN(N)CC MCULE-9962617398 [0,0,1,0,0,0|3,0,0]=4 1616 B5R0.3 CCN(O)CC MCULE-6022935768 [0,0,1,0,0,0|2,0,1]=4 1617 B5R0.3 CCP(=O)CC MCULE-2216184595 [0,0,1,0,0,0|2,0,0]=3 1618 B5R0.3 CCP(Cl)CC MCULE-4484529264 [0,0,1,0,0,0|3,0,0]=4 1619 B5R0.3 CCS(=O)CC MCULE-5102735179 [0,0,1,0,0,0|2,0,0]=3 1620 B5R0.3 CNC(=N)CO MCULE-3239749882 [0,0,1,0,0,0|3,0,0]=4 1621 B5R0.3 CNC(=N)NC MCULE-7703075263 [0,0,1,0,0,0|3,0,0]=4 1622 B5R0.3 CNC(=O)CBr MCULE-1439209307 [0,0,1,0,0,0|2,0,0]=3 1623 B5R0.3 CNC(=O)CCl MCULE-1437904095 [0,0,1,0,0,0|2,0,0]=3 1624 B5R0.3 CNC(=O)CI MCULE-1687694185 [0,0,1,0,0,0|2,0,0]=3 1625 B5R0.3 CNC(=O)CN MCULE-1901033297 [0,0,1,0,0,0|2,0,0]=3 1626 B5R0.3 CNC(=O)CN MCULE-8532774234 [0,0,1,0,0,0|2,0,0]=3 1627 B5R0.3 CNC(=O)CO MCULE-5899226107 [0,0,1,0,0,0|2,0,0]=3 1628 B5R0.3 CNC(=O)CS MCULE-7032391129 [0,0,1,0,0,0|2,0,0]=3 1629 B5R0.3 CNC(=O)NC MCULE-5319497155 [0,0,1,0,0,0|2,0,0]=3 1630 B5R0.3 CNC(=O)NN MCULE-2093843774 [0,0,1,0,0,0|3,0,0]=4 1631 B5R0.3 CNC(=O)OC MCULE-1162861376 [0,0,1,0,0,0|1,0,0]=2 1632 B5R0.3 CNC(=S)NC MCULE-7998520647 [0,0,1,0,0,0|2,1,0]=4 1633 B5R0.3 COC(=N)CCl MCULE-2713131753 [0,0,1,0,0,0|2,0,0]=3 1634 B5R0.3 COC(=N)CCl MCULE-6471252676 [0,0,1,0,0,0|2,0,0]=3 1635 B5R0.3 COC(=O)C#N MCULE-8762838190 [0,0,1,0,0,0|1,0,1]=3 1636 B5R0.3 COC(=O)C=O MCULE-2685327079 [0,0,1,0,0,0|1,0,1]=3 1637 B5R0.3 COC(=O)CBr MCULE-2684954408 [0,0,1,0,0,0|1,0,0]=2 1638 B5R0.3 COC(=O)CCl MCULE-5886832940 [0,0,1,0,0,0|1,0,0]=2 1639 B5R0.3 COC(=O)CF MCULE-4367430175 [0,0,1,0,0,0|1,0,0]=2 1640 B5R0.3 COC(=O)CI MCULE-9545584156 [0,0,1,0,0,0|1,0,0]=2 1641 B5R0.3 COC(=O)CN MCULE-7462799100 [0,0,1,0,0,0|1,0,0]=2 1642 B5R0.3 COC(=O)CN MCULE-8887061469 [0,0,1,0,0,0|1,0,0]=2 1643 B5R0.3 COC(=O)CO MCULE-8734582763 [0,0,1,0,0,0|1,0,0]=2 1644 B5R0.3 COC(=O)CS MCULE-3020830180 [0,0,1,0,0,0|1,0,0]=2 1645 B5R0.3 COC(=O)NN MCULE-2637794839 [0,0,1,0,0,0|2,0,0]=3 1646 B5R0.3 COC(=O)OC MCULE-7488725621 [0,0,1,0,0,0|1,0,0]=2 1647 B5R0.3 COC(=O)SCl MCULE-1018411491 [0,0,1,0,0,0|2,0,0]=3 1648 B5R0.3 COC(=S)NN MCULE-8717505617 [0,0,1,0,0,0|2,1,0]=4 1649 B5R0.3 COC(=S)SC MCULE-7665194168 [0,0,1,0,0,0|1,1,0]=3 1650 B5R0.3 COC(C)CBr MCULE-6831960550 [0,0,1,0,0,0|2,0,1]=4 1651 B5R0.3 COC(C)CCl MCULE-6614968111 [0,0,1,0,0,0|2,0,1]=4 1652 B5R0.3 COC(C)CI MCULE-9561627722 [0,0,1,0,0,0|2,0,1]=4 1653 B5R0.3 COC(C)CN MCULE-1378513525 [0,0,1,0,0,0|2,0,1]=4 1654 B5R0.3 COC(C)CN MCULE-6114730248 [0,0,1,0,0,0|2,0,1]=4 1655 B5R0.3 COC(C)CN MCULE-7516064224 [0,0,1,0,0,0|2,0,1]=4 1656 B5R0.3 COC(C)CN MCULE-8277408054 [0,0,1,0,0,0|2,0,1]=4 1657 B5R0.3 COC(C)CO MCULE-5269990702 [0,0,1,0,0,0|2,0,1]=4 1658 B5R0.3 COC(C)CO MCULE-7173093332 [0,0,1,0,0,0|2,0,1]=4 1659 B5R0.3 COC(C)OC MCULE-8241616143 [0,0,1,0,0,0|2,0,1]=4 1660 B5R0.3 COS(=O)OC MCULE-9352053920 [0,0,1,0,0,0|2,0,0]=3 1661 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [0,0,1,0,0,0|2,0,1]=4 1662 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [0,0,1,0,0,0|2,0,1]=4 1663 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [0,0,1,0,0,0|2,0,1]=4 1664 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [0,0,1,0,0,0|2,0,1]=4 1665 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [0,0,1,0,0,0|2,0,1]=4 1666 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [0,0,1,0,0,0|2,0,1]=4 1667 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [0,0,1,0,0,0|2,0,1]=4 1668 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [0,0,1,0,0,0|2,0,1]=4 1669 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [0,0,1,0,0,0|2,0,1]=4 1670 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [0,0,1,0,0,0|2,0,1]=4 1671 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [0,0,1,0,0,0|2,0,1]=4 1672 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [0,0,1,0,0,0|2,0,1]=4 1673 B5R0.3 CSC(=O)SC MCULE-7167992573 [0,0,1,0,0,0|1,1,0]=3 1674 B5R0.3 CSC(=S)SC MCULE-5023087703 [0,0,1,0,0,0|1,2,0]=4 1675 B5R0.3 NCC(=O)CN MCULE-2420991481 [0,0,1,0,0,0|3,0,0]=4 1676 B5R0.3 NCC(=O)CN MCULE-8626789745 [0,0,1,0,0,0|3,0,0]=4 1677 B5R0.3 NCC(=O)NN MCULE-2318099199 [0,0,1,0,0,0|3,0,0]=4 1678 B5R0.3 NCC(=O)NN MCULE-3392354502 [0,0,1,0,0,0|3,0,0]=4 1679 B5R0.3 NCC(=O)NO MCULE-5417617455 [0,0,1,0,0,0|3,0,0]=4 1680 B5R0.3 NNC(=O)CCl MCULE-2158347473 [0,0,1,0,0,0|3,0,0]=4 1681 B5R0.3 NNC(=O)CCl MCULE-9762553206 [0,0,1,0,0,0|3,0,0]=4 1682 B5R0.3 NNC(=O)CO MCULE-8443636349 [0,0,1,0,0,0|3,0,0]=4 1683 B5R0.3 NNC(=O)CS MCULE-4913925166 [0,0,1,0,0,0|3,0,0]=4 1684 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [0,0,1,0,0,0|3,0,0]=4 1685 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [0,0,1,0,0,0|3,0,0]=4 1686 B5R0.3 O=C(CF)CF MCULE-8790300272 [0,0,1,0,0,0|3,0,0]=4 1687 B5R0.3 O=C(CO)CO MCULE-7188810449 [0,0,1,0,0,0|3,0,0]=4 1688 B5R0.3 O=CC(=O)CO MCULE-7273475675 [0,0,1,0,0,0|3,0,0]=4 1689 B5R0.3 P(=O)(OC)OC MCULE-7918891029 [0,0,1,0,0,0|2,0,0]=3 1690 B7R2.11 C1CC2CC1N2 MCULE-6529016485 [0,0,0,1,0,0|2,0,1]=4 1691 B7R2.11 C1CC2CC1N2 MCULE-7997985442 [0,0,0,1,0,0|2,0,1]=4 1692 B7R2.11 C1NC2CC1C2 MCULE-3826765557 [0,0,0,1,0,0|2,0,1]=4 1693 B7R2.11 C1NC2CC1C2 MCULE-4168683722 [0,0,0,1,0,0|2,0,1]=4 1694 B7R2.13 C1CC2CC2C1 MCULE-4998824123 [0,0,0,1,0,0|2,0,1]=4 1695 B7R2.13 C1CC2CC2N1 MCULE-5625544754 [0,0,0,1,0,0|2,0,1]=4 1696 B7R2.13 C1CC2CC2N1 MCULE-6822939101 [0,0,0,1,0,0|2,0,1]=4 1697 B7R2.13 C1CC2NC2C1 MCULE-4807869634 [0,0,0,1,0,0|2,0,1]=4 1698 B7R2.13 C1CC2OC2C1 MCULE-9831160642 [0,0,0,1,0,0|1,0,2]=4 1699 B5R1.2 BrC1=CCC1 MCULE-7839710306 [0,0,0,0,1,0|1,0,1]=3 1700 B5R1.2 BrC1CCC1 MCULE-3713567804 [0,0,0,0,1,0|1,0,1]=3 1701 B5R1.2 BrC1CNC1 MCULE-4959282437 [0,0,0,0,1,0|2,0,1]=4 1702 B5R1.2 BrC1CNC1 MCULE-5635086924 [0,0,0,0,1,0|2,0,1]=4 1703 B5R1.2 BrC1CNC1 MCULE-7561312043 [0,0,0,0,1,0|2,0,1]=4 1704 B5R1.2 BrC1COC1 MCULE-7527620035 [0,0,0,0,1,0|2,0,1]=4 1705 B5R1.2 C=C1CCC1 MCULE-8318650413 [0,0,0,0,1,0|1,0,0]=2 1706 B5R1.2 C=C1CNC1 MCULE-1391021267 [0,0,0,0,1,0|2,0,0]=3 1707 B5R1.2 C=C1CNC1 MCULE-7957953185 [0,0,0,0,1,0|2,0,0]=3 1708 B5R1.2 C=C1COC1 MCULE-1822645869 [0,0,0,0,1,0|2,0,0]=3 1709 B5R1.2 CC1CCN1 MCULE-7952714343 [0,0,0,0,1,0|2,0,1]=4 1710 B5R1.2 CC1CCN1 MCULE-9084374728 [0,0,0,0,1,0|2,0,1]=4 1711 B5R1.2 CC1CNC1 MCULE-3977066574 [0,0,0,0,1,0|2,0,1]=4 1712 B5R1.2 CC1CNC1 MCULE-7868611457 [0,0,0,0,1,0|2,0,1]=4 1713 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [0,0,0,0,1,0|2,0,1]=4 1714 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [0,0,0,0,1,0|2,0,1]=4 1715 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [0,0,0,0,1,0|2,0,1]=4 1716 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [0,0,0,0,1,0|2,0,1]=4 1717 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [0,0,0,0,1,0|2,0,1]=4 1718 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [0,0,0,0,1,0|2,0,1]=4 1719 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [0,0,0,0,1,0|2,0,1]=4 1720 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [0,0,0,0,1,0|2,0,1]=4 1721 B5R1.2 ClC1CCC1 MCULE-2602937313 [0,0,0,0,1,0|1,0,1]=3 1722 B5R1.2 ClC1CNC1 MCULE-2051705029 [0,0,0,0,1,0|2,0,1]=4 1723 B5R1.2 ClC1CNC1 MCULE-6678325694 [0,0,0,0,1,0|2,0,1]=4 1724 B5R1.2 ClC1COC1 MCULE-7266812470 [0,0,0,0,1,0|2,0,1]=4 1725 B5R1.2 FC1CNC1 MCULE-5746598794 [0,0,0,0,1,0|2,0,1]=4 1726 B5R1.2 FC1CNC1 MCULE-9427948721 [0,0,0,0,1,0|2,0,1]=4 1727 B5R1.2 FC1COC1 MCULE-7899811313 [0,0,0,0,1,0|2,0,1]=4 1728 B5R1.2 IC1CCC1 MCULE-3890796264 [0,0,0,0,1,0|1,0,1]=3 1729 B5R1.2 IC1CNC1 MCULE-5957681014 [0,0,0,0,1,0|2,0,1]=4 1730 B5R1.2 IC1CNC1 MCULE-7396587981 [0,0,0,0,1,0|2,0,1]=4 1731 B5R1.2 IC1COC1 MCULE-6736781201 [0,0,0,0,1,0|2,0,1]=4 1732 B5R1.2 NC1CCC1 MCULE-7511834789 [0,0,0,0,1,0|1,0,1]=3 1733 B5R1.2 NC1CCC1 MCULE-9118406840 [0,0,0,0,1,0|1,0,1]=3 1734 B5R1.2 NC1CNC1 MCULE-3069271350 [0,0,0,0,1,0|2,0,1]=4 1735 B5R1.2 NC1CNC1 MCULE-4785323807 [0,0,0,0,1,0|2,0,1]=4 1736 B5R1.2 NC1COC1 MCULE-3457998413 [0,0,0,0,1,0|2,0,1]=4 1737 B5R1.2 NC1COC1 MCULE-8439862131 [0,0,0,0,1,0|2,0,1]=4 1738 B5R1.2 NC1CSC1 MCULE-8155396913 [0,0,0,0,1,0|2,0,1]=4 1739 B5R1.2 NC1CSC1 MCULE-8463545676 [0,0,0,0,1,0|2,0,1]=4 1740 B5R1.2 NC1CSC1 MCULE-8920812656 [0,0,0,0,1,0|2,0,1]=4 1741 B5R1.2 NN1CCC1 MCULE-8176731673 [0,0,0,0,1,0|2,0,0]=3 1742 B5R1.2 NN1CCC1 MCULE-8382619719 [0,0,0,0,1,0|2,0,0]=3 1743 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,0,0,0,1,0|0,0,0]=1 1744 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,0,0,0,1,0|1,0,0]=2 1745 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,0,0,0,1,0|0,0,0]=1 1746 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,0,0,0,1,0|1,0,0]=2 1747 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,0,0,0,1,0|1,0,0]=2 1748 B5R1.2 O=C1COC1 MCULE-6847248632 [0,0,0,0,1,0|1,0,0]=2 1749 B5R1.2 O=C1CSC1 MCULE-4436071261 [0,0,0,0,1,0|1,0,0]=2 1750 B5R1.2 OC1CCC1 MCULE-2856311430 [0,0,0,0,1,0|0,0,2]=3 1751 B5R1.2 OC1CNC1 MCULE-3596383447 [0,0,0,0,1,0|1,0,2]=4 1752 B5R1.2 OC1CNC1 MCULE-7913518128 [0,0,0,0,1,0|1,0,2]=4 1753 B5R1.2 OC1COC1 MCULE-2630355859 [0,0,0,0,1,0|1,0,2]=4 1754 B5R1.2 OC1CSC1 MCULE-6759275460 [0,0,0,0,1,0|1,0,2]=4 1755 B5R1.2 SC1CCC1 MCULE-1779239394 [0,0,0,0,1,0|0,1,1]=3 1756 B5R1.2 SC1CNC1 MCULE-5823473779 [0,0,0,0,1,0|1,1,1]=4 1757 B5R1.2 SC1CNC1 MCULE-9002536698 [0,0,0,0,1,0|1,1,1]=4 1758 B5R1.2 SC1COC1 MCULE-2175099379 [0,0,0,0,1,0|1,1,1]=4 1759 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [0,0,0,0,0,1|2,0,0]=3 1760 B7R1.3 BrC1=CCCNC1 MCULE-1016336040 [0,0,0,0,0,1|2,0,0]=3 1761 B7R1.3 BrC1=CCCNC1 MCULE-9845052592 [0,0,0,0,0,1|2,0,0]=3 1762 B7R1.3 BrC1=CCOCC1 MCULE-7609274912 [0,0,0,0,0,1|2,0,0]=3 1763 B7R1.3 BrC1=CCSCC1 MCULE-6964400494 [0,0,0,0,0,1|2,0,0]=3 1764 B7R1.3 BrC1=COCCC1 MCULE-7754503978 [0,0,0,0,0,1|1,0,0]=2 1765 B7R1.3 BrC1C=CCCC1 MCULE-1210573604 [0,0,0,0,0,1|2,0,1]=4 1766 B7R1.3 BrC1CCCCC1 MCULE-7879113781 [0,0,0,0,0,1|2,0,1]=4 1767 B7R1.3 BrC1CCCCN1 MCULE-3863852230 [0,0,0,0,0,1|2,0,1]=4 1768 B7R1.3 BrC1CCCCO1 MCULE-3659439382 [0,0,0,0,0,1|1,0,1]=3 1769 B7R1.3 BrC1CCCNC1 MCULE-5734359694 [0,0,0,0,0,1|2,0,1]=4 1770 B7R1.3 BrC1CCCNC1 MCULE-8772964999 [0,0,0,0,0,1|2,0,1]=4 1771 B7R1.3 BrC1CCCNC1 MCULE-9975168983 [0,0,0,0,0,1|2,0,1]=4 1772 B7R1.3 BrC1CCCOC1 MCULE-5781416415 [0,0,0,0,0,1|1,0,1]=3 1773 B7R1.3 BrC1CCNCC1 MCULE-2524082443 [0,0,0,0,0,1|2,0,1]=4 1774 B7R1.3 BrC1CCNCC1 MCULE-9389571955 [0,0,0,0,0,1|2,0,1]=4 1775 B7R1.3 BrC1CCNCC1 MCULE-9646097822 [0,0,0,0,0,1|2,0,1]=4 1776 B7R1.3 BrC1CCOCC1 MCULE-4896539126 [0,0,0,0,0,1|2,0,1]=4 1777 B7R1.3 BrC1CCSCC1 MCULE-1239956252 [0,0,0,0,0,1|2,0,1]=4 1778 B7R1.3 C1(CCCNC1)F MCULE-2873742972 [0,0,0,0,0,1|2,0,1]=4 1779 B7R1.3 C1(CCCNC1)F MCULE-8247715411 [0,0,0,0,0,1|2,0,1]=4 1780 B7R1.3 C1(CCCNC1)N MCULE-2184623611 [0,0,0,0,0,1|2,0,1]=4 1781 B7R1.3 C1(CCCNC1)N MCULE-6177601832 [0,0,0,0,0,1|2,0,1]=4 1782 B7R1.3 C1(CCCNC1)O MCULE-5944071030 [0,0,0,0,0,1|1,0,2]=4 1783 B7R1.3 C1(CCCNC1)O MCULE-9769032939 [0,0,0,0,0,1|1,0,2]=4 1784 B7R1.3 C1(CCCOC1)N MCULE-7160456966 [0,0,0,0,0,1|1,0,1]=3 1785 B7R1.3 C1(CCCOC1)N MCULE-9418657332 [0,0,0,0,0,1|1,0,1]=3 1786 B7R1.3 C1(CNCCN1)C MCULE-7759957935 [0,0,0,0,0,1|2,0,1]=4 1787 B7R1.3 C1(CNCCO1)C MCULE-2805380245 [0,0,0,0,0,1|1,0,1]=3 1788 B7R1.3 C1(CNCCO1)C MCULE-3532041523 [0,0,0,0,0,1|1,0,1]=3 1789 B7R1.3 C=C1CCCCC1 MCULE-9812236661 [0,0,0,0,0,1|2,0,0]=3 1790 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [0,0,0,0,0,1|2,0,0]=3 1791 B7R1.3 C=C1CCCNC1 MCULE-2588575300 [0,0,0,0,0,1|2,0,0]=3 1792 B7R1.3 C=C1CCCNC1 MCULE-9758065019 [0,0,0,0,0,1|2,0,0]=3 1793 B7R1.3 C=C1CCCOC1 MCULE-5236529273 [0,0,0,0,0,1|1,0,0]=2 1794 B7R1.3 C=C1CCNCC1 MCULE-4460895436 [0,0,0,0,0,1|2,0,0]=3 1795 B7R1.3 C=C1CCNCC1 MCULE-6605411269 [0,0,0,0,0,1|2,0,0]=3 1796 B7R1.3 C=C1CCNCC1 MCULE-6729798105 [0,0,0,0,0,1|2,0,0]=3 1797 B7R1.3 C=C1CCOCC1 MCULE-2744722311 [0,0,0,0,0,1|2,0,0]=3 1798 B7R1.3 CB1OCCCO1 MCULE-5692862103 [0,0,0,0,0,1|2,0,0]=3 1799 B7R1.3 CC1=CC=CCC1 MCULE-3797800778 [0,0,0,0,0,1|2,0,1]=4 1800 B7R1.3 CC1=CCC=CC1 MCULE-8148706670 [0,0,0,0,0,1|2,0,1]=4 1801 B7R1.3 CC1=CCCC=C1 MCULE-6224653152 [0,0,0,0,0,1|2,0,1]=4 1802 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [0,0,0,0,0,1|2,0,0]=3 1803 B7R1.3 CC1=CCCNC1 MCULE-8145216779 [0,0,0,0,0,1|2,0,0]=3 1804 B7R1.3 CC1=CCCNC1 MCULE-9021954061 [0,0,0,0,0,1|2,0,0]=3 1805 B7R1.3 CC1=CCNCC1 MCULE-1503915992 [0,0,0,0,0,1|2,0,0]=3 1806 B7R1.3 CC1=CCNCC1 MCULE-3349815065 [0,0,0,0,0,1|2,0,0]=3 1807 B7R1.3 CC1=NCCNC1 MCULE-2066788449 [0,0,0,0,0,1|2,0,0]=3 1808 B7R1.3 CC1C=CCCC1 MCULE-8057302830 [0,0,0,0,0,1|2,0,1]=4 1809 B7R1.3 CC1CCCCC1 MCULE-3843525768 [0,0,0,0,0,1|2,0,1]=4 1810 B7R1.3 CC1CCCCN1 MCULE-1741870990 [0,0,0,0,0,1|2,0,1]=4 1811 B7R1.3 CC1CCCCN1 MCULE-4453126703 [0,0,0,0,0,1|2,0,1]=4 1812 B7R1.3 CC1CCCCN1 MCULE-6620063962 [0,0,0,0,0,1|2,0,1]=4 1813 B7R1.3 CC1CCCCN1 MCULE-6838766744 [0,0,0,0,0,1|2,0,1]=4 1814 B7R1.3 CC1CCCCN1 MCULE-9227931620 [0,0,0,0,0,1|2,0,1]=4 1815 B7R1.3 CC1CCCCO1 MCULE-4439683294 [0,0,0,0,0,1|1,0,1]=3 1816 B7R1.3 CC1CCCNC1 MCULE-3344207132 [0,0,0,0,0,1|2,0,1]=4 1817 B7R1.3 CC1CCCNC1 MCULE-5707832183 [0,0,0,0,0,1|2,0,1]=4 1818 B7R1.3 CC1CCCNC1 MCULE-7033850891 [0,0,0,0,0,1|2,0,1]=4 1819 B7R1.3 CC1CCCNC1 MCULE-7153943487 [0,0,0,0,0,1|2,0,1]=4 1820 B7R1.3 CC1CCNCC1 MCULE-5873723365 [0,0,0,0,0,1|2,0,1]=4 1821 B7R1.3 CC1CCNCC1 MCULE-6994675149 [0,0,0,0,0,1|2,0,1]=4 1822 B7R1.3 CC1CCNCC1 MCULE-9043030659 [0,0,0,0,0,1|2,0,1]=4 1823 B7R1.3 CC1CCOCC1 MCULE-8623581625 [0,0,0,0,0,1|2,0,1]=4 1824 B7R1.3 CC1CCOCN1 MCULE-5420262342 [0,0,0,0,0,1|2,0,1]=4 1825 B7R1.3 CC1CCOCO1 MCULE-5013590651 [0,0,0,0,0,1|1,0,1]=3 1826 B7R1.3 CC1CNCCN1 MCULE-2536395443 [0,0,0,0,0,1|2,0,1]=4 1827 B7R1.3 CC1CNCCN1 MCULE-6313957247 [0,0,0,0,0,1|2,0,1]=4 1828 B7R1.3 CC1CNCCO1 MCULE-3071497485 [0,0,0,0,0,1|1,0,1]=3 1829 B7R1.3 CC1CNCCO1 MCULE-7956728736 [0,0,0,0,0,1|1,0,1]=3 1830 B7R1.3 CC1CNCCS1 MCULE-7391261862 [0,0,0,0,0,1|1,1,1]=4 1831 B7R1.3 CC1COCCN1 MCULE-1305824409 [0,0,0,0,0,1|2,0,1]=4 1832 B7R1.3 CC1COCCN1 MCULE-4570632464 [0,0,0,0,0,1|2,0,1]=4 1833 B7R1.3 CC1COCCN1 MCULE-6275555682 [0,0,0,0,0,1|2,0,1]=4 1834 B7R1.3 CC1COCCN1 MCULE-8711024794 [0,0,0,0,0,1|2,0,1]=4 1835 B7R1.3 CC1CSCCN1 MCULE-2923436126 [0,0,0,0,0,1|2,0,1]=4 1836 B7R1.3 CC1NCCCO1 MCULE-2236660860 [0,0,0,0,0,1|1,0,1]=3 1837 B7R1.3 CC1SCCCS1 MCULE-8431698431 [0,0,0,0,0,1|1,1,1]=4 1838 B7R1.3 CN1CCCCC1 MCULE-3308944277 [0,0,0,0,0,1|3,0,0]=4 1839 B7R1.3 CN1CCCCO1 MCULE-4407617276 [0,0,0,0,0,1|2,0,0]=3 1840 B7R1.3 CN1CCCCO1 MCULE-6297284655 [0,0,0,0,0,1|2,0,0]=3 1841 B7R1.3 CN1CCNCC1 MCULE-5570228782 [0,0,0,0,0,1|3,0,0]=4 1842 B7R1.3 CN1CCNCC1 MCULE-7182634479 [0,0,0,0,0,1|3,0,0]=4 1843 B7R1.3 CN1CCOCC1 MCULE-1649171852 [0,0,0,0,0,1|3,0,0]=4 1844 B7R1.3 CN1CCSCC1 MCULE-9816739759 [0,0,0,0,0,1|3,0,0]=4 1845 B7R1.3 C[C@@H]1CCCCN1 MCULE-1372285636 [0,0,0,0,0,1|2,0,1]=4 1846 B7R1.3 C[C@@H]1CCCCN1 MCULE-1676908545 [0,0,0,0,0,1|2,0,1]=4 1847 B7R1.3 C[C@@H]1CCCCN1 MCULE-4298634468 [0,0,0,0,0,1|2,0,1]=4 1848 B7R1.3 C[C@@H]1CCCCN1 MCULE-6629826210 [0,0,0,0,0,1|2,0,1]=4 1849 B7R1.3 C[C@@H]1CCCNC1 MCULE-1079173995 [0,0,0,0,0,1|2,0,1]=4 1850 B7R1.3 C[C@@H]1CCCNC1 MCULE-1230145662 [0,0,0,0,0,1|2,0,1]=4 1851 B7R1.3 C[C@@H]1CCCNC1 MCULE-3423787676 [0,0,0,0,0,1|2,0,1]=4 1852 B7R1.3 C[C@@H]1CCCNC1 MCULE-9303264483 [0,0,0,0,0,1|2,0,1]=4 1853 B7R1.3 C[C@@H]1CNCCN1 MCULE-2959336973 [0,0,0,0,0,1|2,0,1]=4 1854 B7R1.3 C[C@@H]1CNCCN1 MCULE-3870060141 [0,0,0,0,0,1|2,0,1]=4 1855 B7R1.3 C[C@@H]1CNCCN1 MCULE-4214817913 [0,0,0,0,0,1|2,0,1]=4 1856 B7R1.3 C[C@@H]1CNCCN1 MCULE-4368092239 [0,0,0,0,0,1|2,0,1]=4 1857 B7R1.3 C[C@@H]1CNCCO1 MCULE-1787977539 [0,0,0,0,0,1|1,0,1]=3 1858 B7R1.3 C[C@@H]1CNCCO1 MCULE-2608004746 [0,0,0,0,0,1|1,0,1]=3 1859 B7R1.3 C[C@@H]1CNCCO1 MCULE-5447097956 [0,0,0,0,0,1|1,0,1]=3 1860 B7R1.3 C[C@@H]1CNCCO1 MCULE-9396954187 [0,0,0,0,0,1|1,0,1]=3 1861 B7R1.3 C[C@@H]1COCCN1 MCULE-2750151013 [0,0,0,0,0,1|2,0,1]=4 1862 B7R1.3 C[C@@H]1COCCN1 MCULE-4003273424 [0,0,0,0,0,1|2,0,1]=4 1863 B7R1.3 C[C@@H]1COCCN1 MCULE-4627627990 [0,0,0,0,0,1|2,0,1]=4 1864 B7R1.3 C[C@@H]1COCCN1 MCULE-8600287111 [0,0,0,0,0,1|2,0,1]=4 1865 B7R1.3 C[C@@H]1CSCCN1 MCULE-2613889704 [0,0,0,0,0,1|2,0,1]=4 1866 B7R1.3 C[C@H]1CCCCN1 MCULE-3586455704 [0,0,0,0,0,1|2,0,1]=4 1867 B7R1.3 C[C@H]1CCCCN1 MCULE-5638638213 [0,0,0,0,0,1|2,0,1]=4 1868 B7R1.3 C[C@H]1CCCCN1 MCULE-5867717461 [0,0,0,0,0,1|2,0,1]=4 1869 B7R1.3 C[C@H]1CCCCN1 MCULE-7106826493 [0,0,0,0,0,1|2,0,1]=4 1870 B7R1.3 C[C@H]1CCCNC1 MCULE-3372852932 [0,0,0,0,0,1|2,0,1]=4 1871 B7R1.3 C[C@H]1CCCNC1 MCULE-5146147676 [0,0,0,0,0,1|2,0,1]=4 1872 B7R1.3 C[C@H]1CCCNC1 MCULE-7894943546 [0,0,0,0,0,1|2,0,1]=4 1873 B7R1.3 C[C@H]1CCCNC1 MCULE-8016414984 [0,0,0,0,0,1|2,0,1]=4 1874 B7R1.3 C[C@H]1CNCCN1 MCULE-1403559972 [0,0,0,0,0,1|2,0,1]=4 1875 B7R1.3 C[C@H]1CNCCN1 MCULE-5769724060 [0,0,0,0,0,1|2,0,1]=4 1876 B7R1.3 C[C@H]1CNCCO1 MCULE-3158147539 [0,0,0,0,0,1|1,0,1]=3 1877 B7R1.3 C[C@H]1CNCCO1 MCULE-5193705878 [0,0,0,0,0,1|1,0,1]=3 1878 B7R1.3 C[C@H]1CNCCO1 MCULE-8337677707 [0,0,0,0,0,1|1,0,1]=3 1879 B7R1.3 C[C@H]1CNCCO1 MCULE-9425432414 [0,0,0,0,0,1|1,0,1]=3 1880 B7R1.3 C[C@H]1COCCN1 MCULE-1467834624 [0,0,0,0,0,1|2,0,1]=4 1881 B7R1.3 C[C@H]1COCCN1 MCULE-3486079226 [0,0,0,0,0,1|2,0,1]=4 1882 B7R1.3 C[C@H]1COCCN1 MCULE-5726525044 [0,0,0,0,0,1|2,0,1]=4 1883 B7R1.3 C[C@H]1COCCN1 MCULE-9977133603 [0,0,0,0,0,1|2,0,1]=4 1884 B7R1.3 C[C@H]1CSCCN1 MCULE-4076273874 [0,0,0,0,0,1|2,0,1]=4 1885 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [0,0,0,0,0,1|2,0,0]=3 1886 B7R1.3 ClC1=CCCNC1 MCULE-2132976242 [0,0,0,0,0,1|2,0,0]=3 1887 B7R1.3 ClC1=CCCNC1 MCULE-9013141821 [0,0,0,0,0,1|2,0,0]=3 1888 B7R1.3 ClC1C=CCCC1 MCULE-7233887185 [0,0,0,0,0,1|2,0,1]=4 1889 B7R1.3 ClC1CCCCC1 MCULE-9519865350 [0,0,0,0,0,1|2,0,1]=4 1890 B7R1.3 ClC1CCCCO1 MCULE-3251653488 [0,0,0,0,0,1|1,0,1]=3 1891 B7R1.3 ClC1CCCNC1 MCULE-3870722463 [0,0,0,0,0,1|2,0,1]=4 1892 B7R1.3 ClC1CCCNC1 MCULE-8461718443 [0,0,0,0,0,1|2,0,1]=4 1893 B7R1.3 ClC1CCCOC1 MCULE-5733907796 [0,0,0,0,0,1|1,0,1]=3 1894 B7R1.3 ClC1CCNCC1 MCULE-1320213535 [0,0,0,0,0,1|2,0,1]=4 1895 B7R1.3 ClC1CCNCC1 MCULE-3278149456 [0,0,0,0,0,1|2,0,1]=4 1896 B7R1.3 ClC1CCOCC1 MCULE-5672440693 [0,0,0,0,0,1|2,0,1]=4 1897 B7R1.3 ClN1CCOCC1 MCULE-2275187473 [0,0,0,0,0,1|3,0,0]=4 1898 B7R1.3 Cl[C@@H]1CCCNC1 MCULE-1513190720 [0,0,0,0,0,1|2,0,1]=4 1899 B7R1.3 Cl[C@@H]1CCCNC1 MCULE-4702442384 [0,0,0,0,0,1|2,0,1]=4 1900 B7R1.3 Cl[C@H]1CCCNC1 MCULE-1906196638 [0,0,0,0,0,1|2,0,1]=4 1901 B7R1.3 Cl[C@H]1CCCNC1 MCULE-5435721723 [0,0,0,0,0,1|2,0,1]=4 1902 B7R1.3 FC1=CCCNC1 MCULE-5131057553 [0,0,0,0,0,1|2,0,0]=3 1903 B7R1.3 FC1=CCCNC1 MCULE-8459145085 [0,0,0,0,0,1|2,0,0]=3 1904 B7R1.3 FC1=CCNCC1 MCULE-5573410633 [0,0,0,0,0,1|2,0,0]=3 1905 B7R1.3 FC1=CCNCC1 MCULE-9755070929 [0,0,0,0,0,1|2,0,0]=3 1906 B7R1.3 FC1CCCCC1 MCULE-4555555520 [0,0,0,0,0,1|2,0,1]=4 1907 B7R1.3 FC1CCCCO1 MCULE-8724227177 [0,0,0,0,0,1|1,0,1]=3 1908 B7R1.3 FC1CCCNC1 MCULE-1207637035 [0,0,0,0,0,1|2,0,1]=4 1909 B7R1.3 FC1CCCNC1 MCULE-8874983109 [0,0,0,0,0,1|2,0,1]=4 1910 B7R1.3 FC1CCCOC1 MCULE-9003204358 [0,0,0,0,0,1|1,0,1]=3 1911 B7R1.3 FC1CCNCC1 MCULE-1146732226 [0,0,0,0,0,1|2,0,1]=4 1912 B7R1.3 FC1CCNCC1 MCULE-9481825539 [0,0,0,0,0,1|2,0,1]=4 1913 B7R1.3 F[C@@H]1CCCNC1 MCULE-1015853975 [0,0,0,0,0,1|2,0,1]=4 1914 B7R1.3 F[C@@H]1CCCNC1 MCULE-2442101978 [0,0,0,0,0,1|2,0,1]=4 1915 B7R1.3 F[C@@H]1CCCNC1 MCULE-3088687742 [0,0,0,0,0,1|2,0,1]=4 1916 B7R1.3 F[C@@H]1CCCNC1 MCULE-3298158493 [0,0,0,0,0,1|2,0,1]=4 1917 B7R1.3 F[C@H]1CCCNC1 MCULE-5863769143 [0,0,0,0,0,1|2,0,1]=4 1918 B7R1.3 F[C@H]1CCCNC1 MCULE-9142728260 [0,0,0,0,0,1|2,0,1]=4 1919 B7R1.3 F[C@H]1CCCNC1 MCULE-9496728832 [0,0,0,0,0,1|2,0,1]=4 1920 B7R1.3 F[C@H]1CCCNC1 MCULE-9795686850 [0,0,0,0,0,1|2,0,1]=4 1921 B7R1.3 IC1CCCCC1 MCULE-4499971048 [0,0,0,0,0,1|2,0,1]=4 1922 B7R1.3 IC1CCNCC1 MCULE-1161879837 [0,0,0,0,0,1|2,0,1]=4 1923 B7R1.3 IC1CCNCC1 MCULE-3953687682 [0,0,0,0,0,1|2,0,1]=4 1924 B7R1.3 IC1CCOCC1 MCULE-7226892860 [0,0,0,0,0,1|2,0,1]=4 1925 B7R1.3 IC1CCSCC1 MCULE-6684613275 [0,0,0,0,0,1|2,0,1]=4 1926 B7R1.3 IN1CCOCC1 MCULE-2342142292 [0,0,0,0,0,1|3,0,0]=4 1927 B7R1.3 IN1CCOCC1 MCULE-6623188938 [0,0,0,0,0,1|3,0,0]=4 1928 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [0,0,0,0,0,1|1,0,0]=2 1929 B7R1.3 N=C1NCCCS1 MCULE-5425383221 [0,0,0,0,0,1|1,1,0]=3 1930 B7R1.3 NC1=NCCCC1 MCULE-1020722938 [0,0,0,0,0,1|2,0,0]=3 1931 B7R1.3 NC1=NCCCC1 MCULE-9735306041 [0,0,0,0,0,1|2,0,0]=3 1932 B7R1.3 NC1=NCCCN1 MCULE-1407334516 [0,0,0,0,0,1|2,0,0]=3 1933 B7R1.3 NC1=NCCCN1 MCULE-1674112662 [0,0,0,0,0,1|2,0,0]=3 1934 B7R1.3 NC1=NCCCO1 MCULE-1909217779 [0,0,0,0,0,1|1,0,0]=2 1935 B7R1.3 NC1=NCCCS1 MCULE-2157831645 [0,0,0,0,0,1|1,1,0]=3 1936 B7R1.3 NC1=NCCCS1 MCULE-7522126566 [0,0,0,0,0,1|1,1,0]=3 1937 B7R1.3 NC1=NCCSC1 MCULE-4272591822 [0,0,0,0,0,1|2,0,0]=3 1938 B7R1.3 NC1C=CCCC1 MCULE-4482857573 [0,0,0,0,0,1|2,0,1]=4 1939 B7R1.3 NC1C=CCCC1 MCULE-5378769676 [0,0,0,0,0,1|2,0,1]=4 1940 B7R1.3 NC1CCCCC1 MCULE-1274688385 [0,0,0,0,0,1|2,0,1]=4 1941 B7R1.3 NC1CCCCC1 MCULE-6218418825 [0,0,0,0,0,1|2,0,1]=4 1942 B7R1.3 NC1CCCCC1 MCULE-7654331405 [0,0,0,0,0,1|2,0,1]=4 1943 B7R1.3 NC1CCCCC1 MCULE-9211684304 [0,0,0,0,0,1|2,0,1]=4 1944 B7R1.3 NC1CCCCN1 MCULE-8429969520 [0,0,0,0,0,1|2,0,1]=4 1945 B7R1.3 NC1CCCNC1 MCULE-2846077424 [0,0,0,0,0,1|2,0,1]=4 1946 B7R1.3 NC1CCCNC1 MCULE-6762552983 [0,0,0,0,0,1|2,0,1]=4 1947 B7R1.3 NC1CCCNC1 MCULE-8978449052 [0,0,0,0,0,1|2,0,1]=4 1948 B7R1.3 NC1CCCOC1 MCULE-3002610862 [0,0,0,0,0,1|1,0,1]=3 1949 B7R1.3 NC1CCCOC1 MCULE-8678558313 [0,0,0,0,0,1|1,0,1]=3 1950 B7R1.3 NC1CCCSC1 MCULE-5361360271 [0,0,0,0,0,1|1,1,1]=4 1951 B7R1.3 NC1CCCSC1 MCULE-5652416535 [0,0,0,0,0,1|1,1,1]=4 1952 B7R1.3 NC1CCNCC1 MCULE-4122223472 [0,0,0,0,0,1|2,0,1]=4 1953 B7R1.3 NC1CCNCC1 MCULE-4894618503 [0,0,0,0,0,1|2,0,1]=4 1954 B7R1.3 NC1CCOCC1 MCULE-4830730893 [0,0,0,0,0,1|2,0,1]=4 1955 B7R1.3 NC1CCOCC1 MCULE-6229850202 [0,0,0,0,0,1|2,0,1]=4 1956 B7R1.3 NC1CCOCC1 MCULE-7619874469 [0,0,0,0,0,1|2,0,1]=4 1957 B7R1.3 NC1CCSCC1 MCULE-1077822824 [0,0,0,0,0,1|2,0,1]=4 1958 B7R1.3 NC1CCSCC1 MCULE-7148332202 [0,0,0,0,0,1|2,0,1]=4 1959 B7R1.3 NN1CCCCC1 MCULE-2078041523 [0,0,0,0,0,1|3,0,0]=4 1960 B7R1.3 NN1CCCCC1 MCULE-3853977450 [0,0,0,0,0,1|3,0,0]=4 1961 B7R1.3 NN1CCNCC1 MCULE-4047900576 [0,0,0,0,0,1|3,0,0]=4 1962 B7R1.3 NN1CCNCC1 MCULE-5083416150 [0,0,0,0,0,1|3,0,0]=4 1963 B7R1.3 NN1CCNCC1 MCULE-7309844454 [0,0,0,0,0,1|3,0,0]=4 1964 B7R1.3 NN1CCOCC1 MCULE-8277539965 [0,0,0,0,0,1|3,0,0]=4 1965 B7R1.3 NN1CCSCC1 MCULE-9712464832 [0,0,0,0,0,1|3,0,0]=4 1966 B7R1.3 N[C@@H]1CCCNC1 MCULE-1539406556 [0,0,0,0,0,1|2,0,1]=4 1967 B7R1.3 N[C@@H]1CCCNC1 MCULE-3403472114 [0,0,0,0,0,1|2,0,1]=4 1968 B7R1.3 N[C@@H]1CCCNC1 MCULE-6313396868 [0,0,0,0,0,1|2,0,1]=4 1969 B7R1.3 N[C@@H]1CCCNC1 MCULE-8281902784 [0,0,0,0,0,1|2,0,1]=4 1970 B7R1.3 N[C@@H]1CCCOC1 MCULE-3329999118 [0,0,0,0,0,1|1,0,1]=3 1971 B7R1.3 N[C@@H]1CCCOC1 MCULE-5434456311 [0,0,0,0,0,1|1,0,1]=3 1972 B7R1.3 N[C@@H]1CCCOC1 MCULE-8416525332 [0,0,0,0,0,1|1,0,1]=3 1973 B7R1.3 N[C@@H]1CCCOC1 MCULE-9941756618 [0,0,0,0,0,1|1,0,1]=3 1974 B7R1.3 N[C@H]1CCCNC1 MCULE-1133561466 [0,0,0,0,0,1|2,0,1]=4 1975 B7R1.3 N[C@H]1CCCNC1 MCULE-3601314617 [0,0,0,0,0,1|2,0,1]=4 1976 B7R1.3 N[C@H]1CCCNC1 MCULE-4741120465 [0,0,0,0,0,1|2,0,1]=4 1977 B7R1.3 N[C@H]1CCCNC1 MCULE-5291619589 [0,0,0,0,0,1|2,0,1]=4 1978 B7R1.3 N[C@H]1CCCNC1 MCULE-8831721515 [0,0,0,0,0,1|2,0,1]=4 1979 B7R1.3 N[C@H]1CCCOC1 MCULE-1619050625 [0,0,0,0,0,1|1,0,1]=3 1980 B7R1.3 N[C@H]1CCCOC1 MCULE-4275969826 [0,0,0,0,0,1|1,0,1]=3 1981 B7R1.3 N[C@H]1CCCOC1 MCULE-4421099383 [0,0,0,0,0,1|1,0,1]=3 1982 B7R1.3 N[C@H]1CCCOC1 MCULE-9281030983 [0,0,0,0,0,1|1,0,1]=3 1983 B7R1.3 O=C1C=CC=CO1 MCULE-1962369480 [0,0,0,0,0,1|0,0,3]=4 1984 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,0,0,0,0,1|1,0,0]=2 1985 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [0,0,0,0,0,1|1,0,1]=3 1986 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,0,0,0,0,1|0,0,1]=2 1987 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [0,0,0,0,0,1|0,0,2]=3 1988 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [0,0,0,0,0,1|1,0,1]=3 1989 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [0,0,0,0,0,1|1,0,2]=4 1990 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [0,0,0,0,0,1|1,0,1]=3 1991 B7R1.3 O=C1CC=CN=N1 MCULE-5717852017 [0,0,0,0,0,1|1,0,2]=4 1992 B7R1.3 O=C1CC=COC1 MCULE-3434064170 [0,0,0,0,0,1|0,0,2]=3 1993 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [0,0,0,0,0,1|1,0,0]=2 1994 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [0,0,0,0,0,1|1,0,0]=2 1995 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [0,0,0,0,0,1|0,0,0]=1 1996 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [0,0,0,0,0,1|0,1,0]=2 1997 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [0,0,0,0,0,1|1,0,0]=2 1998 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [0,0,0,0,0,1|1,0,0]=2 1999 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [0,0,0,0,0,1|0,0,0]=1 2000 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [0,0,0,0,0,1|0,1,0]=2 2001 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [0,0,0,0,0,1|1,0,0]=2 2002 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [0,0,0,0,0,1|1,0,0]=2 2003 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [0,0,0,0,0,1|1,0,0]=2 2004 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [0,0,0,0,0,1|1,0,0]=2 2005 B7R1.3 O=C1CCSCC1 MCULE-8638366518 [0,0,0,0,0,1|1,0,0]=2 2006 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [0,0,0,0,0,1|1,0,0]=2 2007 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,0,0,0,0,1|0,0,0]=1 2008 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,0,0,0,0,1|0,0,0]=1 2009 B7R1.3 O=C1COCCN1 MCULE-8242898041 [0,0,0,0,0,1|1,0,0]=2 2010 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,0,0,0,0,1|0,0,0]=1 2011 B7R1.3 O=C1CSC=CN1 MCULE-7195428643 [0,0,0,0,0,1|1,0,2]=4 2012 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [0,0,0,0,0,1|1,0,0]=2 2013 B7R1.3 O=C1CSCSC1 MCULE-8034252746 [0,0,0,0,0,1|1,1,0]=3 2014 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [0,0,0,0,0,1|1,0,0]=2 2015 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,0,0,0,0,1|0,0,0]=1 2016 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [0,0,0,0,0,1|1,0,0]=2 2017 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [0,0,0,0,0,1|0,0,0]=1 2018 B7R1.3 O=P1OCCCO1 MCULE-9154920312 [0,0,0,0,0,1|1,0,0]=2 2019 B7R1.3 O=S1CCCCC1 MCULE-1275253796 [0,0,0,0,0,1|2,0,0]=3 2020 B7R1.3 O=S1CCCSC1 MCULE-5552019770 [0,0,0,0,0,1|1,1,0]=3 2021 B7R1.3 O=S1CCNCC1 MCULE-1812570930 [0,0,0,0,0,1|2,0,0]=3 2022 B7R1.3 O=S1CCNCC1 MCULE-9878649050 [0,0,0,0,0,1|2,0,0]=3 2023 B7R1.3 O=S1CCOCC1 MCULE-4979531002 [0,0,0,0,0,1|2,0,0]=3 2024 B7R1.3 O=S1OCCCO1 MCULE-4755606100 [0,0,0,0,0,1|1,0,0]=2 2025 B7R1.3 OB1OCCCO1 MCULE-7976289917 [0,0,0,0,0,1|1,0,1]=3 2026 B7R1.3 OC1=CN=NCC1 MCULE-3904781537 [0,0,0,0,0,1|2,0,1]=4 2027 B7R1.3 OC1C=CCCC1 MCULE-3255466542 [0,0,0,0,0,1|1,0,2]=4 2028 B7R1.3 OC1CCCCC1 MCULE-8217921343 [0,0,0,0,0,1|1,0,2]=4 2029 B7R1.3 OC1CCCCN1 MCULE-7168605870 [0,0,0,0,0,1|1,0,2]=4 2030 B7R1.3 OC1CCCCN1 MCULE-9833825308 [0,0,0,0,0,1|1,0,2]=4 2031 B7R1.3 OC1CCCCO1 MCULE-1415784498 [0,0,0,0,0,1|0,0,2]=3 2032 B7R1.3 OC1CCCNC1 MCULE-4557845355 [0,0,0,0,0,1|1,0,2]=4 2033 B7R1.3 OC1CCCNC1 MCULE-6040312691 [0,0,0,0,0,1|1,0,2]=4 2034 B7R1.3 OC1CCCOC1 MCULE-3820663957 [0,0,0,0,0,1|0,0,2]=3 2035 B7R1.3 OC1CCCOC1 MCULE-4349250540 [0,0,0,0,0,1|0,0,2]=3 2036 B7R1.3 OC1CCCSC1 MCULE-1448781710 [0,0,0,0,0,1|0,1,2]=4 2037 B7R1.3 OC1CCNCC1 MCULE-3572807775 [0,0,0,0,0,1|1,0,2]=4 2038 B7R1.3 OC1CCNCC1 MCULE-4216905638 [0,0,0,0,0,1|1,0,2]=4 2039 B7R1.3 OC1CCNCC1 MCULE-8298401309 [0,0,0,0,0,1|1,0,2]=4 2040 B7R1.3 OC1CCOCC1 MCULE-3789534226 [0,0,0,0,0,1|1,0,2]=4 2041 B7R1.3 OC1CCSCC1 MCULE-6056663037 [0,0,0,0,0,1|1,0,2]=4 2042 B7R1.3 OC1CNCCO1 MCULE-7048275202 [0,0,0,0,0,1|0,0,2]=3 2043 B7R1.3 OC1CNCCO1 MCULE-9716087824 [0,0,0,0,0,1|0,0,2]=3 2044 B7R1.3 OC1COCOC1 MCULE-1056094446 [0,0,0,0,0,1|1,0,2]=4 2045 B7R1.3 ON1CCCCC1 MCULE-5529301217 [0,0,0,0,0,1|2,0,1]=4 2046 B7R1.3 ON1CCOCC1 MCULE-9071295312 [0,0,0,0,0,1|2,0,1]=4 2047 B7R1.3 O[C@@H]1CCCNC1 MCULE-3395625072 [0,0,0,0,0,1|1,0,2]=4 2048 B7R1.3 O[C@@H]1CCCNC1 MCULE-5041834047 [0,0,0,0,0,1|1,0,2]=4 2049 B7R1.3 O[C@@H]1CCCNC1 MCULE-5939951996 [0,0,0,0,0,1|1,0,2]=4 2050 B7R1.3 O[C@@H]1CCCNC1 MCULE-8822637089 [0,0,0,0,0,1|1,0,2]=4 2051 B7R1.3 O[C@@H]1CCCOC1 MCULE-1439860824 [0,0,0,0,0,1|0,0,2]=3 2052 B7R1.3 O[C@@H]1CCCOC1 MCULE-5515107963 [0,0,0,0,0,1|0,0,2]=3 2053 B7R1.3 O[C@H]1C=CCCC1 MCULE-5543899109 [0,0,0,0,0,1|1,0,2]=4 2054 B7R1.3 O[C@H]1CCCNC1 MCULE-3813591488 [0,0,0,0,0,1|1,0,2]=4 2055 B7R1.3 O[C@H]1CCCNC1 MCULE-5223055424 [0,0,0,0,0,1|1,0,2]=4 2056 B7R1.3 O[C@H]1CCCNC1 MCULE-7646198322 [0,0,0,0,0,1|1,0,2]=4 2057 B7R1.3 O[C@H]1CCCNC1 MCULE-7875547684 [0,0,0,0,0,1|1,0,2]=4 2058 B7R1.3 O[C@H]1CCCOC1 MCULE-2228949296 [0,0,0,0,0,1|0,0,2]=3 2059 B7R1.3 O[C@H]1CCCOC1 MCULE-6500179909 [0,0,0,0,0,1|0,0,2]=3 2060 B7R1.3 S=C1CCCCC1 MCULE-6072375043 [0,0,0,0,0,1|1,1,0]=3 2061 B7R1.3 S=C1CCCCN1 MCULE-2004608075 [0,0,0,0,0,1|1,1,0]=3 2062 B7R1.3 S=C1COCCN1 MCULE-1743172522 [0,0,0,0,0,1|1,1,0]=3 2063 B7R1.3 S=C1NCCCN1 MCULE-6601711997 [0,0,0,0,0,1|1,1,0]=3 2064 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [0,0,0,0,0,1|0,1,0]=2 2065 B7R1.3 S=C1NCCCS1 MCULE-8898215455 [0,0,0,0,0,1|0,2,0]=3 2066 B7R1.3 S=C1NCNCN1 MCULE-8557857293 [0,0,0,0,0,1|2,1,0]=4 2067 B7R1.3 SC1CCCCC1 MCULE-2644288416 [0,0,0,0,0,1|1,1,1]=4 2068 B7R1.3 SC1CCCNC1 MCULE-4464031027 [0,0,0,0,0,1|1,1,1]=4 2069 B7R1.3 SC1CCCNC1 MCULE-5566651293 [0,0,0,0,0,1|1,1,1]=4 2070 B7R1.3 SC1CCCOC1 MCULE-9540212924 [0,0,0,0,0,1|0,1,1]=3 2071 B7R1.3 SC1CCNCC1 MCULE-2780144586 [0,0,0,0,0,1|1,1,1]=4 2072 B7R1.3 SC1CCNCC1 MCULE-4297654743 [0,0,0,0,0,1|1,1,1]=4 2073 B7R1.3 SC1CCOCC1 MCULE-1287019115 [0,0,0,0,0,1|1,1,1]=4 2074 B7R1.3 SC1CCSCC1 MCULE-8741596394 [0,0,0,0,0,1|1,1,1]=4 2075 B7R1.3 SC1NCCCS1 MCULE-3586134698 [0,0,0,0,0,1|0,2,1]=4 2076 B7R1.3 S[C@H]1CCCNC1 MCULE-5377455102 [0,0,0,0,0,1|1,1,1]=4 2077 B7R1.3 S[C@H]1CCCNC1 MCULE-9668422285 [0,0,0,0,0,1|1,1,1]=4 2078 B7R1.3 [NH3+]C1CCCCC1 MCULE-7876724648 [0,0,0,0,0,1|2,0,1]=4 2079 B4R0.1 C#CC(=O)C MCULE-1296030711 [1,0,1,0,0,0|0,0,2]=4 2080 B4R0.1 C#CC(=O)O MCULE-8764256624 [1,0,1,0,0,0|0,0,2]=4 2081 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [1,0,1,0,0,0|1,0,1]=4 2082 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [1,0,1,0,0,0|1,0,1]=4 2083 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [1,0,1,0,0,0|1,0,1]=4 2084 B4R0.1 C=C(Br)CC MCULE-6271946451 [1,0,1,0,0,0|1,0,1]=4 2085 B4R0.1 C=C(C)CBr MCULE-1361893863 [1,0,1,0,0,0|2,0,0]=4 2086 B4R0.1 C=C(C)CCl MCULE-5586406339 [1,0,1,0,0,0|2,0,0]=4 2087 B4R0.1 C=C(C)CI MCULE-3678124406 [1,0,1,0,0,0|2,0,0]=4 2088 B4R0.1 C=C(C)CN MCULE-1033495975 [1,0,1,0,0,0|2,0,0]=4 2089 B4R0.1 C=C(C)CN MCULE-8730181300 [1,0,1,0,0,0|2,0,0]=4 2090 B4R0.1 C=C(C)CO MCULE-8641288398 [1,0,1,0,0,0|2,0,0]=4 2091 B4R0.1 C=C(C)CS MCULE-5174170431 [1,0,1,0,0,0|2,0,0]=4 2092 B4R0.1 C=C(C)OC MCULE-7344104255 [1,0,1,0,0,0|1,0,0]=3 2093 B4R0.1 C=CC(=O)C MCULE-4924646293 [1,0,1,0,0,0|0,0,2]=4 2094 B4R0.1 C=CC(=O)O MCULE-9352227082 [1,0,1,0,0,0|0,0,2]=4 2095 B4R0.1 CC(=O)C#N MCULE-6317771757 [1,0,1,0,0,0|1,0,1]=4 2096 B4R0.1 CC(=O)C=O MCULE-2718961814 [1,0,1,0,0,0|1,0,1]=4 2097 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,0,1,0,0,0|1,0,0]=3 2098 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,0,1,0,0,0|1,0,0]=3 2099 B4R0.1 CC(=O)CF MCULE-7417279999 [1,0,1,0,0,0|1,0,0]=3 2100 B4R0.1 CC(=O)CN MCULE-2715277783 [1,0,1,0,0,0|1,0,0]=3 2101 B4R0.1 CC(=O)CN MCULE-6004541862 [1,0,1,0,0,0|1,0,0]=3 2102 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,1,0,0,0|1,0,0]=3 2103 B4R0.1 CC(=O)CS MCULE-9736174016 [1,0,1,0,0,0|1,0,0]=3 2104 B4R0.1 CC(=O)NBr MCULE-6502070876 [1,0,1,0,0,0|2,0,0]=4 2105 B4R0.1 CC(=O)NN MCULE-9183467120 [1,0,1,0,0,0|2,0,0]=4 2106 B4R0.1 CC(=O)NO MCULE-2682231025 [1,0,1,0,0,0|2,0,0]=4 2107 B4R0.1 CC(=O)OO MCULE-6028338742 [1,0,1,0,0,0|1,0,0]=3 2108 B4R0.1 CC=C(C)Br MCULE-1371905211 [1,0,1,0,0,0|1,0,1]=4 2109 B4R0.1 CC=C(C)C MCULE-4230157245 [1,0,1,0,0,0|1,0,1]=4 2110 B4R0.1 CC=C(C)Cl MCULE-3844314543 [1,0,1,0,0,0|1,0,1]=4 2111 B4R0.1 CCB(O)O MCULE-1650960999 [1,0,1,0,0,0|1,0,1]=4 2112 B4R0.1 CCC(=N)N MCULE-1856575742 [1,0,1,0,0,0|2,0,0]=4 2113 B4R0.1 CCC(=N)N MCULE-2534386807 [1,0,1,0,0,0|2,0,0]=4 2114 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,0,1,0,0,0|1,0,0]=3 2115 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,1,0,0,0|0,0,0]=2 2116 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,0,1,0,0,0|1,0,0]=3 2117 B4R0.1 CCC(=O)F MCULE-8783887670 [1,0,1,0,0,0|1,0,0]=3 2118 B4R0.1 CCC(=O)N MCULE-3730796130 [1,0,1,0,0,0|1,0,0]=3 2119 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,1,0,0,0|0,0,0]=2 2120 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,1,0,0,0|0,0,0]=2 2121 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,1,0,0,0|0,1,0]=3 2122 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,0,1,0,0,0|0,0,1]=3 2123 B4R0.1 CCC(=S)N MCULE-3921479699 [1,0,1,0,0,0|1,1,0]=4 2124 B4R0.1 CCC(C)Br MCULE-9661620259 [1,0,1,0,0,0|1,0,1]=4 2125 B4R0.1 CCC(C)C MCULE-5376105936 [1,0,1,0,0,0|1,0,1]=4 2126 B4R0.1 CCC(C)Cl MCULE-2954418486 [1,0,1,0,0,0|1,0,1]=4 2127 B4R0.1 CCC(C)I MCULE-5239699587 [1,0,1,0,0,0|1,0,1]=4 2128 B4R0.1 CCC(C)N MCULE-5041676035 [1,0,1,0,0,0|1,0,1]=4 2129 B4R0.1 CCC(C)N MCULE-5835091553 [1,0,1,0,0,0|1,0,1]=4 2130 B4R0.1 CCC(C)N MCULE-6631606230 [1,0,1,0,0,0|1,0,1]=4 2131 B4R0.1 CCC(C)N MCULE-8165681721 [1,0,1,0,0,0|1,0,1]=4 2132 B4R0.1 CCC(C)O MCULE-4099350806 [1,0,1,0,0,0|0,0,2]=4 2133 B4R0.1 CCC(C)O MCULE-5005120003 [1,0,1,0,0,0|0,0,2]=4 2134 B4R0.1 CCC(C)S MCULE-4988033753 [1,0,1,0,0,0|0,1,1]=4 2135 B4R0.1 CCN(=O)=O MCULE-6603591614 [1,0,1,0,0,0|1,0,1]=4 2136 B4R0.1 CCN(C)C MCULE-5825033552 [1,0,1,0,0,0|2,0,0]=4 2137 B4R0.1 CCN(C)N MCULE-2279492356 [1,0,1,0,0,0|2,0,0]=4 2138 B4R0.1 CCN(C)N MCULE-5660338703 [1,0,1,0,0,0|2,0,0]=4 2139 B4R0.1 CCN(C)N MCULE-9839987578 [1,0,1,0,0,0|2,0,0]=4 2140 B4R0.1 CCS(=O)C MCULE-4400935745 [1,0,1,0,0,0|1,0,0]=3 2141 B4R0.1 CCS(=O)O MCULE-9872932319 [1,0,1,0,0,0|1,0,0]=3 2142 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [1,0,1,0,0,0|1,0,1]=4 2143 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [1,0,1,0,0,0|1,0,1]=4 2144 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [1,0,1,0,0,0|1,0,1]=4 2145 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [1,0,1,0,0,0|1,0,1]=4 2146 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [1,0,1,0,0,0|1,0,1]=4 2147 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [1,0,1,0,0,0|0,0,2]=4 2148 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [1,0,1,0,0,0|0,0,2]=4 2149 B4R0.1 CC[C@H](C)N MCULE-2450201533 [1,0,1,0,0,0|1,0,1]=4 2150 B4R0.1 CC[C@H](C)N MCULE-2998961427 [1,0,1,0,0,0|1,0,1]=4 2151 B4R0.1 CC[C@H](C)N MCULE-6692190471 [1,0,1,0,0,0|1,0,1]=4 2152 B4R0.1 CC[C@H](C)N MCULE-6904795465 [1,0,1,0,0,0|1,0,1]=4 2153 B4R0.1 CC[C@H](C)O MCULE-3700911573 [1,0,1,0,0,0|0,0,2]=4 2154 B4R0.1 CC[C@H](C)O MCULE-6063716138 [1,0,1,0,0,0|0,0,2]=4 2155 B4R0.1 CNC(=O)C MCULE-2612997941 [1,0,1,0,0,0|1,0,0]=3 2156 B4R0.1 CNC(=O)Cl MCULE-7743744606 [1,0,1,0,0,0|2,0,0]=4 2157 B4R0.1 CNC(=O)N MCULE-6422331704 [1,0,1,0,0,0|2,0,0]=4 2158 B4R0.1 CNC(=S)C MCULE-8699171591 [1,0,1,0,0,0|1,1,0]=4 2159 B4R0.1 COC(=N)C MCULE-2752794913 [1,0,1,0,0,0|1,0,0]=3 2160 B4R0.1 COC(=N)C MCULE-2904991083 [1,0,1,0,0,0|1,0,0]=3 2161 B4R0.1 COC(=N)N MCULE-1611076737 [1,0,1,0,0,0|2,0,0]=4 2162 B4R0.1 COC(=N)N MCULE-4923904579 [1,0,1,0,0,0|2,0,0]=4 2163 B4R0.1 COC(=N)N MCULE-6696789855 [1,0,1,0,0,0|2,0,0]=4 2164 B4R0.1 COC(=N)N MCULE-9171600210 [1,0,1,0,0,0|2,0,0]=4 2165 B4R0.1 COC(=O)C MCULE-7368066093 [1,0,1,0,0,0|0,0,0]=2 2166 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,0,1,0,0,0|1,0,0]=3 2167 B4R0.1 COC(=O)N MCULE-4070607369 [1,0,1,0,0,0|1,0,0]=3 2168 B4R0.1 COC(=S)N MCULE-9414558443 [1,0,1,0,0,0|1,1,0]=4 2169 B4R0.1 COC(=S)[S-] MCULE-4829872223 [1,0,1,0,0,0|1,1,0]=4 2170 B4R0.1 COC(=S)[S-] MCULE-6509496630 [1,0,1,0,0,0|1,1,0]=4 2171 B4R0.1 COC(C)Cl MCULE-9043930044 [1,0,1,0,0,0|1,0,1]=4 2172 B4R0.1 CSC(=O)C MCULE-7061634598 [1,0,1,0,0,0|0,1,0]=3 2173 B4R0.1 CSC(=S)C MCULE-4836153374 [1,0,1,0,0,0|0,2,0]=4 2174 B4R0.1 CSS(=O)C MCULE-6515592458 [1,0,1,0,0,0|1,1,0]=4 2175 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,0,1,0,0,0|2,0,0]=4 2176 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,0,1,0,0,0|2,0,0]=4 2177 B4R0.1 NC(=O)CF MCULE-3344212657 [1,0,1,0,0,0|2,0,0]=4 2178 B4R0.1 NC(=O)CI MCULE-4217973413 [1,0,1,0,0,0|2,0,0]=4 2179 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,1,0,0,0|2,0,0]=4 2180 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,1,0,0,0|2,0,0]=4 2181 B4R0.1 NCC(=O)N MCULE-1048848056 [1,0,1,0,0,0|2,0,0]=4 2182 B4R0.1 NCC(=O)N MCULE-2174395809 [1,0,1,0,0,0|2,0,0]=4 2183 B4R0.1 NCC(=O)N MCULE-6113166250 [1,0,1,0,0,0|2,0,0]=4 2184 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,1,0,0,0|1,0,0]=3 2185 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,1,0,0,0|1,0,0]=3 2186 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,1,0,0,0|1,0,0]=3 2187 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,1,0,0,0|1,0,0]=3 2188 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,1,0,0,0|1,0,0]=3 2189 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,1,0,0,0|1,1,0]=4 2190 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [1,0,1,0,0,0|1,0,1]=4 2191 B4R0.1 O=C(Br)CBr MCULE-6031858200 [1,0,1,0,0,0|2,0,0]=4 2192 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [1,0,1,0,0,0|2,0,0]=4 2193 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [1,0,1,0,0,0|2,0,0]=4 2194 B4R0.1 O=C(Cl)CF MCULE-7182087882 [1,0,1,0,0,0|2,0,0]=4 2195 B4R0.1 O=C(Cl)CI MCULE-5719121455 [1,0,1,0,0,0|2,0,0]=4 2196 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,1,0,0,0|1,0,0]=3 2197 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,1,0,0,0|1,0,0]=3 2198 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,1,0,0,0|1,0,0]=3 2199 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,1,0,0,0|1,0,0]=3 2200 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,1,0,0,0|1,0,0]=3 2201 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,1,0,0,0|1,0,0]=3 2202 B4R0.1 O=C([O-])CF MCULE-8428965857 [1,0,1,0,0,0|1,0,1]=4 2203 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,1,0,0,0|1,0,1]=4 2204 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,0,1,0,0,0|1,0,1]=4 2205 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,0,1,0,0,0|1,0,1]=4 2206 B4R0.1 O=CC(=O)O MCULE-5307898766 [1,0,1,0,0,0|1,0,1]=4 2207 B4R0.1 O=S(O)CO MCULE-4195832185 [1,0,1,0,0,0|2,0,0]=4 2208 B4R0.1 P(=O)(O)CN MCULE-5441171864 [1,0,1,0,0,0|2,0,0]=4 2209 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [1,0,1,0,0,0|1,0,1]=4 2210 B4R0.2 BrCCCBr MCULE-6500110480 [1,0,1,0,0,0|2,0,0]=4 2211 B4R0.2 BrCCCI MCULE-6470610840 [1,0,1,0,0,0|2,0,0]=4 2212 B4R0.2 C#CCCC MCULE-1233806896 [1,0,1,0,0,0|1,0,1]=4 2213 B4R0.2 C#CCCO MCULE-1797559276 [1,0,1,0,0,0|0,0,2]=4 2214 B4R0.2 C#CCCO MCULE-8743964065 [1,0,1,0,0,0|0,0,2]=4 2215 B4R0.2 C#COCC MCULE-1522528824 [1,0,1,0,0,0|0,0,2]=4 2216 B4R0.2 C/C=C/C=O MCULE-9924705308 [1,0,1,0,0,0|0,0,2]=4 2217 B4R0.2 C/C=C/CCl MCULE-9977493525 [1,0,1,0,0,0|2,0,0]=4 2218 B4R0.2 C/C=C/CO MCULE-2383161163 [1,0,1,0,0,0|1,0,1]=4 2219 B4R0.2 C/C=C/OC MCULE-3906920304 [1,0,1,0,0,0|0,0,1]=3 2220 B4R0.2 C/C=C\CO MCULE-5924662327 [1,0,1,0,0,0|1,0,1]=4 2221 B4R0.2 C=C=CCC MCULE-6123315571 [1,0,1,0,0,0|1,0,1]=4 2222 B4R0.2 C=C=CCO MCULE-5424851896 [1,0,1,0,0,0|0,0,2]=4 2223 B4R0.2 C=CCCBr MCULE-2890129103 [1,0,1,0,0,0|1,0,1]=4 2224 B4R0.2 C=CCCC MCULE-8386546337 [1,0,1,0,0,0|1,0,0]=3 2225 B4R0.2 C=CCCCl MCULE-5903789900 [1,0,1,0,0,0|1,0,1]=4 2226 B4R0.2 C=CCCI MCULE-1055671394 [1,0,1,0,0,0|1,0,1]=4 2227 B4R0.2 C=CCCN MCULE-2471716627 [1,0,1,0,0,0|1,0,1]=4 2228 B4R0.2 C=CCCN MCULE-2881108697 [1,0,1,0,0,0|1,0,1]=4 2229 B4R0.2 C=CCCO MCULE-4582400839 [1,0,1,0,0,0|0,0,1]=3 2230 B4R0.2 C=CCNC MCULE-3335720336 [1,0,1,0,0,0|2,0,0]=4 2231 B4R0.2 C=CCOC MCULE-3321225771 [1,0,1,0,0,0|2,0,0]=4 2232 B4R0.2 C=CCSC MCULE-4452023915 [1,0,1,0,0,0|2,0,0]=4 2233 B4R0.2 C=COCC MCULE-2569047033 [1,0,1,0,0,0|0,0,1]=3 2234 B4R0.2 C=CSCC MCULE-8927374165 [1,0,1,0,0,0|0,1,1]=4 2235 B4R0.2 CC#CC=O MCULE-9270622693 [1,0,1,0,0,0|0,0,2]=4 2236 B4R0.2 CC#CCC MCULE-8848779220 [1,0,1,0,0,0|1,0,1]=4 2237 B4R0.2 CC=CC=O MCULE-2497362981 [1,0,1,0,0,0|0,0,2]=4 2238 B4R0.2 CC=CCBr MCULE-7855581866 [1,0,1,0,0,0|2,0,0]=4 2239 B4R0.2 CC=CCC MCULE-5931905453 [1,0,1,0,0,0|1,0,0]=3 2240 B4R0.2 CC=CCCl MCULE-3941962217 [1,0,1,0,0,0|2,0,0]=4 2241 B4R0.2 CC=CCO MCULE-7490725844 [1,0,1,0,0,0|1,0,1]=4 2242 B4R0.2 CC=COC MCULE-6712403535 [1,0,1,0,0,0|0,0,1]=3 2243 B4R0.2 CC=CSC MCULE-5921906156 [1,0,1,0,0,0|0,1,1]=4 2244 B4R0.2 CCC=CBr MCULE-4471551501 [1,0,1,0,0,0|1,0,1]=4 2245 B4R0.2 CCC=NO MCULE-9457280654 [1,0,1,0,0,0|1,0,1]=4 2246 B4R0.2 CCCC#N MCULE-8571076087 [1,0,1,0,0,0|1,0,1]=4 2247 B4R0.2 CCCC=O MCULE-8530391347 [1,0,1,0,0,0|0,0,0]=2 2248 B4R0.2 CCCCBr MCULE-3390217131 [1,0,1,0,0,0|1,0,1]=4 2249 B4R0.2 CCCCC MCULE-4643148765 [1,0,1,0,0,0|1,0,1]=4 2250 B4R0.2 CCCCCl MCULE-5329900290 [1,0,1,0,0,0|1,0,1]=4 2251 B4R0.2 CCCCF MCULE-7225760858 [1,0,1,0,0,0|1,0,1]=4 2252 B4R0.2 CCCCI MCULE-1160974720 [1,0,1,0,0,0|1,0,1]=4 2253 B4R0.2 CCCCN MCULE-1731874934 [1,0,1,0,0,0|1,0,1]=4 2254 B4R0.2 CCCCN MCULE-4233278050 [1,0,1,0,0,0|1,0,1]=4 2255 B4R0.2 CCCCN MCULE-5242069370 [1,0,1,0,0,0|1,0,1]=4 2256 B4R0.2 CCCCN MCULE-7343835253 [1,0,1,0,0,0|1,0,1]=4 2257 B4R0.2 CCCCO MCULE-1571156443 [1,0,1,0,0,0|0,0,1]=3 2258 B4R0.2 CCCCS MCULE-9441213933 [1,0,1,0,0,0|0,1,1]=4 2259 B4R0.2 CCCNC MCULE-2266616259 [1,0,1,0,0,0|1,0,1]=4 2260 B4R0.2 CCCNC MCULE-7722796872 [1,0,1,0,0,0|1,0,1]=4 2261 B4R0.2 CCCNN MCULE-4121438775 [1,0,1,0,0,0|2,0,0]=4 2262 B4R0.2 CCCNN MCULE-5875592228 [1,0,1,0,0,0|2,0,0]=4 2263 B4R0.2 CCCNN MCULE-9585694661 [1,0,1,0,0,0|2,0,0]=4 2264 B4R0.2 CCCOC MCULE-5854067718 [1,0,1,0,0,0|0,0,1]=3 2265 B4R0.2 CCCON MCULE-4800172637 [1,0,1,0,0,0|1,0,0]=3 2266 B4R0.2 CCCON MCULE-7988781002 [1,0,1,0,0,0|1,0,0]=3 2267 B4R0.2 CCCSC MCULE-8387041737 [1,0,1,0,0,0|0,1,1]=4 2268 B4R0.2 CCN=C=O MCULE-6522145601 [1,0,1,0,0,0|1,0,1]=4 2269 B4R0.2 CCNC=O MCULE-9309926274 [1,0,1,0,0,0|1,0,0]=3 2270 B4R0.2 CCNCC MCULE-3395060353 [1,0,1,0,0,0|1,0,1]=4 2271 B4R0.2 CCNCC MCULE-4374609736 [1,0,1,0,0,0|1,0,1]=4 2272 B4R0.2 CCNCC MCULE-4555901025 [1,0,1,0,0,0|1,0,1]=4 2273 B4R0.2 CCNCC MCULE-6895602113 [1,0,1,0,0,0|1,0,1]=4 2274 B4R0.2 CCNOC MCULE-4797714235 [1,0,1,0,0,0|1,0,0]=3 2275 B4R0.2 CCNOC MCULE-6486167423 [1,0,1,0,0,0|1,0,0]=3 2276 B4R0.2 CCOC=N MCULE-5321655909 [1,0,1,0,0,0|1,0,0]=3 2277 B4R0.2 CCOC=N MCULE-8158357614 [1,0,1,0,0,0|1,0,0]=3 2278 B4R0.2 CCOC=O MCULE-6245072161 [1,0,1,0,0,0|0,0,0]=2 2279 B4R0.2 CCOCBr MCULE-6644755987 [1,0,1,0,0,0|1,0,1]=4 2280 B4R0.2 CCOCC MCULE-5665709021 [1,0,1,0,0,0|0,0,1]=3 2281 B4R0.2 CCOCCl MCULE-5087992840 [1,0,1,0,0,0|1,0,1]=4 2282 B4R0.2 CCONC MCULE-5446312516 [1,0,1,0,0,0|1,0,0]=3 2283 B4R0.2 CCONC MCULE-7976027802 [1,0,1,0,0,0|1,0,0]=3 2284 B4R0.2 CCSCC MCULE-6480710239 [1,0,1,0,0,0|0,1,1]=4 2285 B4R0.2 CCSSC MCULE-9430585714 [1,0,1,0,0,0|1,1,0]=4 2286 B4R0.2 CC[NH2+]CC MCULE-9899430356 [1,0,1,0,0,0|1,0,1]=4 2287 B4R0.2 CNCCO MCULE-7051900771 [1,0,1,0,0,0|1,0,1]=4 2288 B4R0.2 CNCCO MCULE-7934732981 [1,0,1,0,0,0|1,0,1]=4 2289 B4R0.2 COCC=O MCULE-9427361019 [1,0,1,0,0,0|1,0,0]=3 2290 B4R0.2 COCCBr MCULE-8316331262 [1,0,1,0,0,0|1,0,1]=4 2291 B4R0.2 COCCCl MCULE-8886627413 [1,0,1,0,0,0|1,0,1]=4 2292 B4R0.2 COCCI MCULE-9391124374 [1,0,1,0,0,0|1,0,1]=4 2293 B4R0.2 COCCN MCULE-5051556646 [1,0,1,0,0,0|1,0,1]=4 2294 B4R0.2 COCCN MCULE-7519068386 [1,0,1,0,0,0|1,0,1]=4 2295 B4R0.2 COCCO MCULE-4751927883 [1,0,1,0,0,0|1,0,1]=4 2296 B4R0.2 COCCS MCULE-7803276094 [1,0,1,0,0,0|1,0,1]=4 2297 B4R0.2 COCOC MCULE-8559076702 [1,0,1,0,0,0|1,0,1]=4 2298 B4R0.2 COCON MCULE-6032854331 [1,0,1,0,0,0|2,0,0]=4 2299 B4R0.2 CSCCO MCULE-9706874325 [1,0,1,0,0,0|1,0,1]=4 2300 B4R0.2 ClCCCBr MCULE-7937580875 [1,0,1,0,0,0|2,0,0]=4 2301 B4R0.2 ClCCCCl MCULE-6693270397 [1,0,1,0,0,0|2,0,0]=4 2302 B4R0.2 ClCCCI MCULE-1521526833 [1,0,1,0,0,0|2,0,0]=4 2303 B4R0.2 FCCCBr MCULE-5674735753 [1,0,1,0,0,0|2,0,0]=4 2304 B4R0.2 FCCCF MCULE-1803511350 [1,0,1,0,0,0|2,0,0]=4 2305 B4R0.2 FCCCI MCULE-9287814857 [1,0,1,0,0,0|2,0,0]=4 2306 B4R0.2 ICCCI MCULE-9849754168 [1,0,1,0,0,0|2,0,0]=4 2307 B4R0.2 N#CCCO MCULE-5098987368 [1,0,1,0,0,0|1,0,1]=4 2308 B4R0.2 NCCCBr MCULE-5485748003 [1,0,1,0,0,0|2,0,0]=4 2309 B4R0.2 NCCCBr MCULE-7072709972 [1,0,1,0,0,0|2,0,0]=4 2310 B4R0.2 NCCCCl MCULE-1324157004 [1,0,1,0,0,0|2,0,0]=4 2311 B4R0.2 NCCCCl MCULE-3667248190 [1,0,1,0,0,0|2,0,0]=4 2312 B4R0.2 NCCCF MCULE-5215746973 [1,0,1,0,0,0|2,0,0]=4 2313 B4R0.2 NCCCF MCULE-8077133369 [1,0,1,0,0,0|2,0,0]=4 2314 B4R0.2 NCCCI MCULE-3534892097 [1,0,1,0,0,0|2,0,0]=4 2315 B4R0.2 NCCCI MCULE-8010453546 [1,0,1,0,0,0|2,0,0]=4 2316 B4R0.2 NCCCN MCULE-4293255820 [1,0,1,0,0,0|2,0,0]=4 2317 B4R0.2 NCCCN MCULE-5041378433 [1,0,1,0,0,0|2,0,0]=4 2318 B4R0.2 NCCCN MCULE-6944452060 [1,0,1,0,0,0|2,0,0]=4 2319 B4R0.2 NCCCN MCULE-7375662153 [1,0,1,0,0,0|2,0,0]=4 2320 B4R0.2 NCCCN MCULE-8277465929 [1,0,1,0,0,0|2,0,0]=4 2321 B4R0.2 NCCCN MCULE-9929373126 [1,0,1,0,0,0|2,0,0]=4 2322 B4R0.2 NCCCO MCULE-2851278356 [1,0,1,0,0,0|1,0,0]=3 2323 B4R0.2 NCCCO MCULE-9698089092 [1,0,1,0,0,0|1,0,0]=3 2324 B4R0.2 NCCCS MCULE-3994478020 [1,0,1,0,0,0|1,1,0]=4 2325 B4R0.2 NCCCS MCULE-7730973866 [1,0,1,0,0,0|1,1,0]=4 2326 B4R0.2 NCCON MCULE-3613980902 [1,0,1,0,0,0|2,0,0]=4 2327 B4R0.2 NCCON MCULE-7030217952 [1,0,1,0,0,0|2,0,0]=4 2328 B4R0.2 NCCON MCULE-8959912781 [1,0,1,0,0,0|2,0,0]=4 2329 B4R0.2 NNCCO MCULE-1290652744 [1,0,1,0,0,0|2,0,0]=4 2330 B4R0.2 NOCCBr MCULE-2796346082 [1,0,1,0,0,0|2,0,0]=4 2331 B4R0.2 NOCCBr MCULE-5636354898 [1,0,1,0,0,0|2,0,0]=4 2332 B4R0.2 NOCCCl MCULE-5981688956 [1,0,1,0,0,0|2,0,0]=4 2333 B4R0.2 NOCCF MCULE-1813481600 [1,0,1,0,0,0|2,0,0]=4 2334 B4R0.2 NOCCF MCULE-2993254805 [1,0,1,0,0,0|2,0,0]=4 2335 B4R0.2 NOCCO MCULE-2545004367 [1,0,1,0,0,0|2,0,0]=4 2336 B4R0.2 O=CCCBr MCULE-4107157458 [1,0,1,0,0,0|1,0,0]=3 2337 B4R0.2 O=CCCCl MCULE-5863929313 [1,0,1,0,0,0|1,0,0]=3 2338 B4R0.2 O=CCCI MCULE-9771140462 [1,0,1,0,0,0|1,0,0]=3 2339 B4R0.2 O=CCCO MCULE-1685289763 [1,0,1,0,0,0|0,0,0]=2 2340 B4R0.2 O=COC=O MCULE-6311384332 [1,0,1,0,0,0|1,0,1]=4 2341 B4R0.2 OC=CCCl MCULE-4750991393 [1,0,1,0,0,0|1,0,1]=4 2342 B4R0.2 OCC=CBr MCULE-4636104289 [1,0,1,0,0,0|1,0,1]=4 2343 B4R0.2 OCC=CCl MCULE-2110127594 [1,0,1,0,0,0|1,0,1]=4 2344 B4R0.2 OCCCBr MCULE-3450011527 [1,0,1,0,0,0|1,0,0]=3 2345 B4R0.2 OCCCCl MCULE-2319230957 [1,0,1,0,0,0|1,0,0]=3 2346 B4R0.2 OCCCF MCULE-2347934403 [1,0,1,0,0,0|1,0,0]=3 2347 B4R0.2 OCCCI MCULE-5200713967 [1,0,1,0,0,0|1,0,0]=3 2348 B4R0.2 OCCCO MCULE-5166824786 [1,0,1,0,0,0|0,0,1]=3 2349 B4R0.2 OCCCS MCULE-7930164048 [1,0,1,0,0,0|0,1,0]=3 2350 B4R0.2 PCCCP MCULE-6048146071 [1,0,1,0,0,0|2,0,0]=4 2351 B4R0.2 SCCCBr MCULE-4627341228 [1,0,1,0,0,0|1,1,0]=4 2352 B4R0.2 SCCCCl MCULE-6410389127 [1,0,1,0,0,0|1,1,0]=4 2353 B4R0.2 SCCCS MCULE-8220630729 [1,0,1,0,0,0|0,2,0]=4 2354 B4R0.2 [NH2+](CC)CC MCULE-1192179232 [1,0,1,0,0,0|1,0,1]=4 2355 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [0,1,1,0,0,0|1,0,0]=3 2356 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [0,1,1,0,0,0|1,0,1]=4 2357 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [0,1,1,0,0,0|0,0,1]=3 2358 B6R0.1 C#CC(O)CCC MCULE-6152066005 [0,1,1,0,0,0|1,0,1]=4 2359 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [0,1,1,0,0,0|0,0,2]=4 2360 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [0,1,1,0,0,0|1,0,1]=4 2361 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [0,1,1,0,0,0|0,0,2]=4 2362 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [0,1,1,0,0,0|1,0,0]=3 2363 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,1,1,0,0,0|2,0,0]=4 2364 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,1,1,0,0,0|1,0,1]=4 2365 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,1,1,0,0,0|0,0,1]=3 2366 B6R0.1 C=CC(O)CCC MCULE-3664453040 [0,1,1,0,0,0|1,0,1]=4 2367 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [0,1,1,0,0,0|0,0,2]=4 2368 B6R0.1 C=COC(=O)CC MCULE-7662621547 [0,1,1,0,0,0|0,0,2]=4 2369 B6R0.1 C=COC(=O)CCl MCULE-7675766105 [0,1,1,0,0,0|0,0,2]=4 2370 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [0,1,1,0,0,0|0,0,2]=4 2371 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [0,1,1,0,0,0|1,0,0]=3 2372 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [0,1,1,0,0,0|1,0,1]=4 2373 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [0,1,1,0,0,0|0,0,2]=4 2374 B6R0.1 CCC(=O)CNC MCULE-3030105640 [0,1,1,0,0,0|2,0,0]=4 2375 B6R0.1 CCC(=O)CNC MCULE-6945295017 [0,1,1,0,0,0|2,0,0]=4 2376 B6R0.1 CCC(=O)COC MCULE-1087802011 [0,1,1,0,0,0|2,0,0]=4 2377 B6R0.1 CCC(=O)CSC MCULE-3230433182 [0,1,1,0,0,0|2,0,0]=4 2378 B6R0.1 CCC(=O)NOC MCULE-4440074406 [0,1,1,0,0,0|2,0,0]=4 2379 B6R0.1 CCC(=O)OCCl MCULE-6975707373 [0,1,1,0,0,0|1,0,0]=3 2380 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,1,1,0,0,0|1,0,0]=3 2381 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,1,1,0,0,0|1,0,0]=3 2382 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [0,1,1,0,0,0|1,0,0]=3 2383 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,1,1,0,0,0|1,0,0]=3 2384 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,1,1,0,0,0|1,0,0]=3 2385 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,1,1,0,0,0|1,0,0]=3 2386 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,1,1,0,0,0|1,0,0]=3 2387 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,1,1,0,0,0|1,0,0]=3 2388 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,1,1,0,0,0|1,0,0]=3 2389 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,1,1,0,0,0|0,0,0]=2 2390 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,1,1,0,0,0|1,0,0]=3 2391 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,1,1,0,0,0|1,0,0]=3 2392 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,1,1,0,0,0|0,0,0]=2 2393 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,1,1,0,0,0|0,0,0]=2 2394 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,1,1,0,0,0|0,1,0]=3 2395 B6R0.1 CCCC(=S)OC MCULE-8125476093 [0,1,1,0,0,0|0,1,0]=3 2396 B6R0.1 CCCC(C)C=O MCULE-9756444218 [0,1,1,0,0,0|1,0,1]=4 2397 B6R0.1 CCCC(C)CO MCULE-9777250826 [0,1,1,0,0,0|1,0,1]=4 2398 B6R0.1 CCCC(N)CO MCULE-3404967504 [0,1,1,0,0,0|1,0,1]=4 2399 B6R0.1 CCCC(N)CO MCULE-3802448518 [0,1,1,0,0,0|1,0,1]=4 2400 B6R0.1 CCCC(N)CO MCULE-4259078445 [0,1,1,0,0,0|1,0,1]=4 2401 B6R0.1 CCCC(N)CO MCULE-6425025734 [0,1,1,0,0,0|1,0,1]=4 2402 B6R0.1 CCCC(O)C#N MCULE-7017059503 [0,1,1,0,0,0|1,0,1]=4 2403 B6R0.1 CCCC(O)CBr MCULE-5186252424 [0,1,1,0,0,0|1,0,1]=4 2404 B6R0.1 CCCC(O)CC MCULE-9504041935 [0,1,1,0,0,0|1,0,1]=4 2405 B6R0.1 CCCC(O)CCl MCULE-4737360217 [0,1,1,0,0,0|1,0,1]=4 2406 B6R0.1 CCCC(O)CN MCULE-9402934997 [0,1,1,0,0,0|1,0,1]=4 2407 B6R0.1 CCCC(O)CO MCULE-5124107719 [0,1,1,0,0,0|0,0,2]=4 2408 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [0,1,1,0,0,0|1,0,1]=4 2409 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [0,1,1,0,0,0|1,0,1]=4 2410 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [0,1,1,0,0,0|1,0,1]=4 2411 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [0,1,1,0,0,0|1,0,1]=4 2412 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [0,1,1,0,0,0|1,0,1]=4 2413 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [0,1,1,0,0,0|1,0,1]=4 2414 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [0,1,1,0,0,0|1,0,1]=4 2415 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [0,1,1,0,0,0|1,0,1]=4 2416 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [0,1,1,0,0,0|1,0,1]=4 2417 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,1,1,0,0,0|1,0,0]=3 2418 B6R0.1 CCNC(=O)CC MCULE-8820594723 [0,1,1,0,0,0|1,0,0]=3 2419 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [0,1,1,0,0,0|1,0,0]=3 2420 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,1,1,0,0,0|1,0,0]=3 2421 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,1,1,0,0,0|1,0,0]=3 2422 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,1,1,0,0,0|1,0,0]=3 2423 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,1,1,0,0,0|1,0,0]=3 2424 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,1,1,0,0,0|2,0,0]=4 2425 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,1,1,0,0,0|1,0,0]=3 2426 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,1,1,0,0,0|1,0,0]=3 2427 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,1,1,0,0,0|0,0,1]=3 2428 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,1,1,0,0,0|0,0,1]=3 2429 B6R0.1 CCOC(=N)CC MCULE-4645506860 [0,1,1,0,0,0|1,0,0]=3 2430 B6R0.1 CCOC(=N)CC MCULE-9526837631 [0,1,1,0,0,0|1,0,0]=3 2431 B6R0.1 CCOC(=N)CCl MCULE-6291047852 [0,1,1,0,0,0|1,0,0]=3 2432 B6R0.1 CCOC(=N)CCl MCULE-9207251975 [0,1,1,0,0,0|1,0,0]=3 2433 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,1,1,0,0,0|0,0,1]=3 2434 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [0,1,1,0,0,0|0,0,1]=3 2435 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,1,1,0,0,0|0,0,1]=3 2436 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,1,1,0,0,0|0,0,0]=2 2437 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,1,1,0,0,0|0,0,0]=2 2438 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [0,1,1,0,0,0|0,0,0]=2 2439 B6R0.1 CCOC(=O)CF MCULE-1926097423 [0,1,1,0,0,0|0,0,0]=2 2440 B6R0.1 CCOC(=O)CI MCULE-9898762324 [0,1,1,0,0,0|0,0,0]=2 2441 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,1,1,0,0,0|0,0,0]=2 2442 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,1,1,0,0,0|0,0,0]=2 2443 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,1,1,0,0,0|0,0,0]=2 2444 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,1,1,0,0,0|0,0,0]=2 2445 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,1,1,0,0,0|0,0,0]=2 2446 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,1,1,0,0,0|1,0,0]=3 2447 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,1,1,0,0,0|1,0,0]=3 2448 B6R0.1 CCOC(=O)OC MCULE-1185162684 [0,1,1,0,0,0|0,0,0]=2 2449 B6R0.1 CCOC(=S)SC MCULE-6959447720 [0,1,1,0,0,0|0,1,0]=3 2450 B6R0.1 CCOC(C)CC MCULE-5049998907 [0,1,1,0,0,0|1,0,1]=4 2451 B6R0.1 CCOC(C)CN MCULE-2322112215 [0,1,1,0,0,0|1,0,1]=4 2452 B6R0.1 CCOC(C)CN MCULE-7307949125 [0,1,1,0,0,0|1,0,1]=4 2453 B6R0.1 CCOC(C)CO MCULE-1592146913 [0,1,1,0,0,0|0,0,2]=4 2454 B6R0.1 CCOC(Cl)CCl MCULE-2309448343 [0,1,1,0,0,0|1,0,1]=4 2455 B6R0.1 CCOS(=O)CC MCULE-4858180441 [0,1,1,0,0,0|1,0,0]=3 2456 B6R0.1 CCSC(=O)CC MCULE-6361738004 [0,1,1,0,0,0|0,1,0]=3 2457 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [0,1,1,0,0,0|2,0,0]=4 2458 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [0,1,1,0,0,0|2,0,0]=4 2459 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,1,1,0,0,0|2,0,0]=4 2460 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,1,1,0,0,0|2,0,0]=4 2461 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,1,1,0,0,0|2,0,0]=4 2462 B6R0.1 CNC(=O)CCS MCULE-2385806944 [0,1,1,0,0,0|2,0,0]=4 2463 B6R0.1 CNCC(=O)NC MCULE-4579550577 [0,1,1,0,0,0|2,0,0]=4 2464 B6R0.1 CNCC(=O)NC MCULE-7833395637 [0,1,1,0,0,0|2,0,0]=4 2465 B6R0.1 CNCC(=O)NN MCULE-8639164023 [0,1,1,0,0,0|2,0,0]=4 2466 B6R0.1 CNCC(=O)OC MCULE-1667683926 [0,1,1,0,0,0|1,0,0]=3 2467 B6R0.1 CNCC(=O)OC MCULE-5530863658 [0,1,1,0,0,0|1,0,0]=3 2468 B6R0.1 CNNC(=O)OC MCULE-4763095719 [0,1,1,0,0,0|2,0,0]=4 2469 B6R0.1 COC(=N)CCCl MCULE-1997539408 [0,1,1,0,0,0|2,0,0]=4 2470 B6R0.1 COC(=N)CCCl MCULE-2235564076 [0,1,1,0,0,0|2,0,0]=4 2471 B6R0.1 COC(=N)CCO MCULE-1904978557 [0,1,1,0,0,0|2,0,0]=4 2472 B6R0.1 COC(=N)CCO MCULE-8146089973 [0,1,1,0,0,0|2,0,0]=4 2473 B6R0.1 COC(=O)CC#N MCULE-2699345092 [0,1,1,0,0,0|1,0,1]=4 2474 B6R0.1 COC(=O)CC=O MCULE-6624474559 [0,1,1,0,0,0|1,0,1]=4 2475 B6R0.1 COC(=O)CCBr MCULE-3565567444 [0,1,1,0,0,0|1,0,0]=3 2476 B6R0.1 COC(=O)CCCl MCULE-5034007224 [0,1,1,0,0,0|1,0,0]=3 2477 B6R0.1 COC(=O)CCI MCULE-5984806612 [0,1,1,0,0,0|1,0,0]=3 2478 B6R0.1 COC(=O)CCN MCULE-2306060188 [0,1,1,0,0,0|1,0,0]=3 2479 B6R0.1 COC(=O)CCN MCULE-8245275833 [0,1,1,0,0,0|1,0,0]=3 2480 B6R0.1 COC(=O)CCO MCULE-8538834260 [0,1,1,0,0,0|1,0,0]=3 2481 B6R0.1 COC(=O)CCS MCULE-1695345183 [0,1,1,0,0,0|1,0,0]=3 2482 B6R0.1 COC(=O)CNN MCULE-3287579794 [0,1,1,0,0,0|2,0,0]=4 2483 B6R0.1 COC(=O)CNN MCULE-3838874166 [0,1,1,0,0,0|2,0,0]=4 2484 B6R0.1 COC(=O)CON MCULE-4799038238 [0,1,1,0,0,0|2,0,0]=4 2485 B6R0.1 COC(=O)CSC MCULE-6735536033 [0,1,1,0,0,0|1,0,0]=3 2486 B6R0.1 COC(=O)OCCl MCULE-7856529986 [0,1,1,0,0,0|1,0,0]=3 2487 B6R0.1 COC(=O)OCF MCULE-4705008675 [0,1,1,0,0,0|1,0,0]=3 2488 B6R0.1 COC(=O)OCI MCULE-8692720175 [0,1,1,0,0,0|1,0,0]=3 2489 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [0,1,1,0,0,0|2,0,0]=4 2490 B6R0.1 COCC(=N)OC MCULE-2350779439 [0,1,1,0,0,0|2,0,0]=4 2491 B6R0.1 COCC(=N)OC MCULE-7810421458 [0,1,1,0,0,0|2,0,0]=4 2492 B6R0.1 COCC(=O)CCl MCULE-7542636020 [0,1,1,0,0,0|2,0,0]=4 2493 B6R0.1 COCC(=O)NN MCULE-4127487886 [0,1,1,0,0,0|2,0,0]=4 2494 B6R0.1 COCC(=O)OC MCULE-8337685268 [0,1,1,0,0,0|1,0,0]=3 2495 B6R0.1 CONC(=O)OC MCULE-9304532248 [0,1,1,0,0,0|2,0,0]=4 2496 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [0,1,1,0,0,0|2,0,0]=4 2497 B6R0.1 CSCC(=O)NN MCULE-8151954663 [0,1,1,0,0,0|2,0,0]=4 2498 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [0,1,1,0,0,0|2,0,0]=4 2499 B6R0.1 N=C(CCCl)NO MCULE-1713601074 [0,1,1,0,0,0|2,0,0]=4 2500 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [0,1,1,0,0,0|2,0,0]=4 2501 B6R0.1 NCCC(=O)CN MCULE-3906468943 [0,1,1,0,0,0|2,0,0]=4 2502 B6R0.1 NCCC(=O)CN MCULE-9593243702 [0,1,1,0,0,0|2,0,0]=4 2503 B6R0.1 NNC(=O)CCO MCULE-6184351353 [0,1,1,0,0,0|2,0,0]=4 2504 B6R0.1 NNC(=O)CCS MCULE-9322963076 [0,1,1,0,0,0|2,0,0]=4 2505 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [0,1,1,0,0,0|1,0,0]=3 2506 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [0,1,1,0,0,0|2,0,0]=4 2507 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [0,1,1,0,0,0|2,0,0]=4 2508 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,1,1,0,0,0|1,0,1]=4 2509 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,1,1,0,0,0|0,0,1]=3 2510 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [0,1,1,0,0,0|2,0,0]=4 2511 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,1,1,0,0,0|2,0,0]=4 2512 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,1,1,0,0,0|2,0,0]=4 2513 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,1,1,0,0,0|0,0,1]=3 2514 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,1,1,0,0,0|0,0,2]=4 2515 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,1,1,0,0,0|0,0,2]=4 2516 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,1,1,0,0,0|0,0,2]=4 2517 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,1,1,0,0,0|0,0,2]=4 2518 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,1,1,0,0,0|0,0,2]=4 2519 B6R0.2 CC(=CC(C)C)C MCULE-5460531772 [0,1,1,0,0,0|2,0,0]=4 2520 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [0,1,1,0,0,0|2,0,0]=4 2521 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,1,1,0,0,0|1,0,1]=4 2522 B6R0.2 CC(=NC(C)C)C MCULE-4174313497 [0,1,1,0,0,0|2,0,0]=4 2523 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,1,1,0,0,0|1,0,1]=4 2524 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,1,1,0,0,0|1,0,1]=4 2525 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,1,1,0,0,0|1,0,1]=4 2526 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,1,1,0,0,0|1,0,1]=4 2527 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,1,1,0,0,0|1,0,1]=4 2528 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,1,1,0,0,0|1,0,1]=4 2529 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,1,1,0,0,0|1,0,1]=4 2530 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,1,1,0,0,0|1,0,1]=4 2531 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,1,1,0,0,0|1,0,1]=4 2532 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,1,1,0,0,0|1,0,1]=4 2533 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,1,1,0,0,0|0,0,1]=3 2534 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,1,1,0,0,0|0,0,2]=4 2535 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,1,1,0,0,0|0,0,2]=4 2536 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,1,1,0,0,0|1,0,0]=3 2537 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,1,1,0,0,0|1,0,0]=3 2538 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,1,1,0,0,0|1,0,0]=3 2539 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,1,1,0,0,0|1,0,0]=3 2540 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,1,1,0,0,0|2,0,0]=4 2541 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,1,1,0,0,0|1,0,0]=3 2542 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,1,1,0,0,0|1,0,0]=3 2543 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,1,1,0,0,0|1,0,1]=4 2544 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,1,1,0,0,0|1,0,0]=3 2545 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,1,1,0,0,0|2,0,0]=4 2546 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,1,1,0,0,0|2,0,0]=4 2547 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,1,1,0,0,0|0,0,1]=3 2548 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,1,1,0,0,0|0,0,0]=2 2549 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,1,1,0,0,0|0,0,0]=2 2550 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,1,1,0,0,0|0,0,0]=2 2551 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,1,1,0,0,0|0,1,1]=4 2552 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,1,1,0,0,0|1,0,1]=4 2553 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,1,1,0,0,0|1,0,1]=4 2554 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,1,1,0,0,0|0,0,0]=2 2555 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [0,1,1,0,0,0|1,1,0]=4 2556 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [0,1,1,0,0,0|1,0,1]=4 2557 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,1,1,0,0,0|2,0,0]=4 2558 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,1,1,0,0,0|2,0,0]=4 2559 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,1,1,0,0,0|2,0,0]=4 2560 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,1,1,0,0,0|1,0,0]=3 2561 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,1,1,0,0,0|1,0,0]=3 2562 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,1,1,0,0,0|0,0,0]=2 2563 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,1,1,0,0,0|1,1,0]=4 2564 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [0,1,1,0,0,0|1,0,1]=4 2565 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [0,1,1,0,0,0|1,0,1]=4 2566 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [0,1,1,0,0,0|1,0,1]=4 2567 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [0,1,1,0,0,0|1,0,1]=4 2568 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [0,1,1,0,0,0|1,0,1]=4 2569 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [0,1,1,0,0,0|1,0,1]=4 2570 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,1,1,0,0,0|2,0,0]=4 2571 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [0,1,1,0,0,0|2,0,0]=4 2572 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [0,1,1,0,0,0|2,0,0]=4 2573 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [0,1,1,0,0,0|1,0,0]=3 2574 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,1,1,0,0,0|1,0,0]=3 2575 B6R0.2 CC(C)OC(=S)[S-] MCULE-2902588510 [0,1,1,0,0,0|1,1,0]=4 2576 B6R0.2 CC(C)OC(=S)[S-] MCULE-9078070002 [0,1,1,0,0,0|1,1,0]=4 2577 B6R0.2 CC(C)OC(=S)[S-] MCULE-9949285618 [0,1,1,0,0,0|1,1,0]=4 2578 B6R0.2 CC(C)OC(C)C MCULE-2250230766 [0,1,1,0,0,0|1,0,1]=4 2579 B6R0.2 CC(C)ON(=O)=O MCULE-8820340461 [0,1,1,0,0,0|2,0,0]=4 2580 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [0,1,1,0,0,0|1,1,0]=4 2581 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,1,1,0,0,0|1,0,0]=3 2582 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,1,1,0,0,0|0,0,0]=2 2583 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [0,1,1,0,0,0|1,0,0]=3 2584 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,1,1,0,0,0|0,0,0]=2 2585 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,1,1,0,0,0|1,0,0]=3 2586 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,1,1,0,0,0|1,0,0]=3 2587 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,1,1,0,0,0|0,0,0]=2 2588 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,1,1,0,0,0|0,0,0]=2 2589 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,1,1,0,0,0|0,0,0]=2 2590 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,1,1,0,0,0|0,0,0]=2 2591 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,1,1,0,0,0|1,0,1]=4 2592 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,1,1,0,0,0|2,0,0]=4 2593 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,1,1,0,0,0|1,0,0]=3 2594 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,1,1,0,0,0|0,0,0]=2 2595 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,1,1,0,0,0|0,0,0]=2 2596 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,1,1,0,0,0|0,0,1]=3 2597 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,1,1,0,0,0|0,0,1]=3 2598 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [0,1,1,0,0,0|1,0,1]=4 2599 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [0,1,1,0,0,0|1,0,1]=4 2600 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,1,1,0,0,0|2,0,0]=4 2601 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,1,1,0,0,0|2,0,0]=4 2602 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,1,1,0,0,0|2,0,0]=4 2603 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,1,1,0,0,0|2,0,0]=4 2604 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,1,1,0,0,0|1,0,0]=3 2605 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,1,1,0,0,0|1,0,0]=3 2606 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,1,1,0,0,0|1,0,1]=4 2607 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,1,1,0,0,0|0,0,0]=2 2608 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,1,1,0,0,0|0,0,0]=2 2609 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,1,1,0,0,0|0,0,0]=2 2610 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,1,1,0,0,0|0,0,0]=2 2611 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,1,1,0,0,0|0,0,0]=2 2612 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,1,1,0,0,0|0,0,0]=2 2613 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,1,1,0,0,0|0,0,1]=3 2614 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,1,1,0,0,0|0,0,1]=3 2615 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [0,1,1,0,0,0|1,0,1]=4 2616 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [0,1,1,0,0,0|1,0,1]=4 2617 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [0,1,1,0,0,0|1,0,1]=4 2618 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,1,1,0,0,0|0,0,0]=2 2619 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,1,1,0,0,0|0,0,0]=2 2620 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,1,1,0,0,0|0,0,0]=2 2621 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,1,1,0,0,0|0,0,0]=2 2622 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,1,1,0,0,0|0,0,0]=2 2623 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,1,1,0,0,0|0,0,0]=2 2624 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,1,1,0,0,0|0,0,0]=2 2625 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,1,1,0,0,0|0,0,0]=2 2626 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,1,1,0,0,0|0,0,1]=3 2627 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,1,1,0,0,0|0,0,1]=3 2628 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [0,1,1,0,0,0|1,0,1]=4 2629 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [0,1,1,0,0,0|1,0,1]=4 2630 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,1,1,0,0,0|1,0,1]=4 2631 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,1,1,0,0,0|1,0,1]=4 2632 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,1,1,0,0,0|1,0,1]=4 2633 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,1,1,0,0,0|1,0,0]=3 2634 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,1,1,0,0,0|1,0,0]=3 2635 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,1,1,0,0,0|2,0,0]=4 2636 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,1,1,0,0,0|1,0,1]=4 2637 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,1,1,0,0,0|1,0,0]=3 2638 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,1,1,0,0,0|2,0,0]=4 2639 B6R0.2 P(=O)([O-])OC(C)C MCULE-5865480150 [0,1,1,0,0,0|2,0,0]=4 2640 B6R0.2 P(=O)([O-])OC(C)C MCULE-7393903455 [0,1,1,0,0,0|2,0,0]=4 2641 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,1,1,0,0,0|0,0,2]=4 2642 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,1,1,0,0,0|1,0,0]=3 2643 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,1,1,0,0,0|2,0,0]=4 2644 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,1,1,0,0,0|2,0,0]=4 2645 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,1,1,0,0,0|0,0,2]=4 2646 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,1,1,0,0,0|0,0,2]=4 2647 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,1,1,0,0,0|0,0,2]=4 2648 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,1,1,0,0,0|0,0,2]=4 2649 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,1,1,0,0,0|2,0,0]=4 2650 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,1,1,0,0,0|1,0,1]=4 2651 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,1,1,0,0,0|0,0,1]=3 2652 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,1,1,0,0,0|1,0,1]=4 2653 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,1,1,0,0,0|1,0,1]=4 2654 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,1,1,0,0,0|0,0,2]=4 2655 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,1,1,0,0,0|0,0,2]=4 2656 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,1,1,0,0,0|0,0,2]=4 2657 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,1,1,0,0,0|0,0,2]=4 2658 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,1,1,0,0,0|0,0,2]=4 2659 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,1,1,0,0,0|0,0,2]=4 2660 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,1,1,0,0,0|0,0,2]=4 2661 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,1,1,0,0,0|0,0,2]=4 2662 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,1,1,0,0,0|0,0,2]=4 2663 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,1,1,0,0,0|0,0,2]=4 2664 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,1,1,0,0,0|0,0,2]=4 2665 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,1,1,0,0,0|0,0,2]=4 2666 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,1,1,0,0,0|0,0,2]=4 2667 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,1,1,0,0,0|0,0,2]=4 2668 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,1,1,0,0,0|0,0,2]=4 2669 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,1,1,0,0,0|0,0,2]=4 2670 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,1,1,0,0,0|0,0,2]=4 2671 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,1,1,0,0,0|2,0,0]=4 2672 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,1,1,0,0,0|2,0,0]=4 2673 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,1,1,0,0,0|2,0,0]=4 2674 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,1,1,0,0,0|2,0,0]=4 2675 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,1,1,0,0,0|2,0,0]=4 2676 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,1,1,0,0,0|1,0,1]=4 2677 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,1,1,0,0,0|1,0,0]=3 2678 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,1,1,0,0,0|1,0,0]=3 2679 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,1,1,0,0,0|1,0,0]=3 2680 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,1,1,0,0,0|1,0,0]=3 2681 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,1,1,0,0,0|1,0,0]=3 2682 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,1,1,0,0,0|1,0,1]=4 2683 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,1,1,0,0,0|1,0,0]=3 2684 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,1,1,0,0,0|2,0,0]=4 2685 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,1,1,0,0,0|2,0,0]=4 2686 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,1,1,0,0,0|2,0,0]=4 2687 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,1,1,0,0,0|2,0,0]=4 2688 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,1,1,0,0,0|0,0,2]=4 2689 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [0,1,1,0,0,0|1,0,1]=4 2690 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,1,1,0,0,0|0,0,2]=4 2691 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,1,1,0,0,0|0,0,2]=4 2692 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,1,1,0,0,0|0,0,2]=4 2693 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,1,1,0,0,0|0,0,2]=4 2694 B6R0.3 CCC(=C(C)C)C MCULE-7258057243 [0,1,1,0,0,0|2,0,0]=4 2695 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,1,1,0,0,0|1,0,0]=3 2696 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,1,1,0,0,0|0,0,1]=3 2697 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,1,1,0,0,0|0,0,2]=4 2698 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,1,1,0,0,0|1,0,0]=3 2699 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,1,1,0,0,0|1,0,0]=3 2700 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,1,1,0,0,0|1,0,0]=3 2701 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,1,1,0,0,0|1,0,0]=3 2702 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,1,1,0,0,0|0,0,0]=2 2703 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [0,1,1,0,0,0|1,0,1]=4 2704 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,1,1,0,0,0|2,0,0]=4 2705 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,1,1,0,0,0|2,0,0]=4 2706 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,1,1,0,0,0|1,0,0]=3 2707 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,1,1,0,0,0|1,0,0]=3 2708 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,1,1,0,0,0|1,0,0]=3 2709 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,1,1,0,0,0|0,0,0]=2 2710 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,1,1,0,0,0|0,0,0]=2 2711 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,1,1,0,0,0|1,1,0]=4 2712 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [0,1,1,0,0,0|1,0,1]=4 2713 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,1,1,0,0,0|1,0,0]=3 2714 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,1,1,0,0,0|1,0,0]=3 2715 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,1,1,0,0,0|0,0,0]=2 2716 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,1,1,0,0,0|0,0,0]=2 2717 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,1,1,0,0,0|1,0,0]=3 2718 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,1,1,0,0,0|1,0,0]=3 2719 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,1,1,0,0,0|1,0,0]=3 2720 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,1,1,0,0,0|1,0,0]=3 2721 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,1,1,0,0,0|0,0,0]=2 2722 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,1,1,0,0,0|0,0,0]=2 2723 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,1,1,0,0,0|0,0,0]=2 2724 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,1,1,0,0,0|0,0,0]=2 2725 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,1,1,0,0,0|1,0,1]=4 2726 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,1,1,0,0,0|1,0,1]=4 2727 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,1,1,0,0,0|1,0,0]=3 2728 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,1,1,0,0,0|0,0,0]=2 2729 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,1,1,0,0,0|0,0,0]=2 2730 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,1,1,0,0,0|0,0,1]=3 2731 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,1,1,0,0,0|0,0,1]=3 2732 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [0,1,1,0,0,0|1,0,1]=4 2733 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,1,1,0,0,0|1,0,0]=3 2734 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,1,1,0,0,0|0,0,0]=2 2735 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,1,1,0,0,0|1,0,0]=3 2736 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,1,1,0,0,0|2,0,0]=4 2737 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,1,1,0,0,0|2,0,0]=4 2738 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,1,1,0,0,0|1,0,0]=3 2739 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,1,1,0,0,0|0,0,0]=2 2740 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,1,1,0,0,0|0,0,0]=2 2741 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,1,1,0,0,0|1,0,0]=3 2742 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,1,1,0,0,0|1,0,0]=3 2743 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,1,1,0,0,0|0,0,0]=2 2744 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,1,1,0,0,0|0,0,0]=2 2745 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,1,1,0,0,0|0,0,0]=2 2746 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,1,1,0,0,0|0,0,0]=2 2747 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,1,1,0,0,0|1,0,0]=3 2748 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,1,1,0,0,0|1,0,0]=3 2749 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,1,1,0,0,0|1,0,0]=3 2750 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,1,1,0,0,0|1,0,0]=3 2751 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,1,1,0,0,0|0,0,0]=2 2752 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,1,1,0,0,0|0,0,0]=2 2753 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,1,1,0,0,0|0,0,0]=2 2754 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,1,1,0,0,0|0,0,0]=2 2755 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,1,1,0,0,0|1,0,1]=4 2756 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,1,1,0,0,0|1,0,1]=4 2757 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,1,1,0,0,0|0,0,0]=2 2758 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,1,1,0,0,0|0,0,0]=2 2759 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,1,1,0,0,0|0,0,0]=2 2760 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,1,1,0,0,0|0,0,0]=2 2761 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,1,1,0,0,0|0,0,0]=2 2762 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,1,1,0,0,0|0,0,0]=2 2763 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,1,1,0,0,0|0,0,0]=2 2764 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,1,1,0,0,0|1,0,0]=3 2765 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,1,1,0,0,0|1,0,0]=3 2766 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,1,1,0,0,0|1,0,0]=3 2767 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,1,1,0,0,0|1,0,0]=3 2768 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,1,1,0,0,0|0,0,0]=2 2769 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,1,1,0,0,0|0,0,0]=2 2770 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,1,1,0,0,0|0,0,0]=2 2771 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,1,1,0,0,0|0,0,0]=2 2772 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,1,1,0,0,0|0,1,0]=3 2773 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,1,1,0,0,0|0,1,0]=3 2774 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,1,1,0,0,0|1,0,1]=4 2775 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,1,1,0,0,0|1,0,1]=4 2776 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,1,1,0,0,0|1,0,1]=4 2777 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,1,1,0,0,0|1,0,1]=4 2778 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,1,1,0,0,0|1,0,1]=4 2779 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,1,1,0,0,0|1,0,1]=4 2780 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,1,1,0,0,0|0,0,0]=2 2781 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,1,1,0,0,0|0,0,0]=2 2782 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,1,1,0,0,0|0,0,1]=3 2783 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,1,1,0,0,0|1,0,1]=4 2784 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,1,1,0,0,0|2,0,0]=4 2785 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,1,1,0,0,0|2,0,0]=4 2786 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,1,1,0,0,0|1,0,0]=3 2787 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,1,1,0,0,0|1,0,0]=3 2788 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,1,1,0,0,0|1,0,0]=3 2789 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,1,1,0,0,0|2,0,0]=4 2790 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,1,1,0,0,0|1,0,0]=3 2791 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,1,1,0,0,0|1,0,0]=3 2792 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,1,1,0,0,0|1,0,0]=3 2793 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,1,1,0,0,0|1,0,0]=3 2794 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,1,1,0,0,0|1,0,0]=3 2795 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,1,1,0,0,0|1,0,0]=3 2796 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,1,1,0,0,0|1,0,0]=3 2797 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [0,1,1,0,0,0|2,0,0]=4 2798 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,1,1,0,0,0|1,0,1]=4 2799 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,1,1,0,0,0|2,0,0]=4 2800 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,1,1,0,0,0|1,0,0]=3 2801 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,1,1,0,0,0|2,0,0]=4 2802 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,1,1,0,0,0|2,0,0]=4 2803 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,1,1,0,0,0|1,0,0]=3 2804 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,1,1,0,0,0|2,0,0]=4 2805 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,1,1,0,0,0|2,0,0]=4 2806 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,1,1,0,0,0|1,0,0]=3 2807 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,1,1,0,0,0|1,0,0]=3 2808 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,1,1,0,0,0|1,0,0]=3 2809 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,1,1,0,0,0|1,0,0]=3 2810 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,1,1,0,0,0|2,0,0]=4 2811 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,1,1,0,0,0|1,0,0]=3 2812 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,1,1,0,0,0|1,0,0]=3 2813 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,1,1,0,0,0|1,0,0]=3 2814 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,1,1,0,0,0|1,0,0]=3 2815 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,1,1,0,0,0|1,0,0]=3 2816 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,1,1,0,0,0|1,0,0]=3 2817 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,1,1,0,0,0|1,0,0]=3 2818 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,1,1,0,0,0|2,0,0]=4 2819 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,1,1,0,0,0|2,0,0]=4 2820 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,1,1,0,0,0|1,0,0]=3 2821 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,1,1,0,0,0|1,0,0]=3 2822 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,1,1,0,0,0|1,0,0]=3 2823 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,1,1,0,0,0|1,0,0]=3 2824 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,1,1,0,0,0|1,0,0]=3 2825 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,1,1,0,0,0|1,0,0]=3 2826 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,1,1,0,0,0|1,0,1]=4 2827 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,1,1,0,0,0|2,0,0]=4 2828 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,1,1,0,0,0|2,0,0]=4 2829 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,1,1,0,0,0|2,0,0]=4 2830 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,1,1,0,0,0|2,0,0]=4 2831 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,1,1,0,0,0|2,0,0]=4 2832 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,1,1,0,0,0|2,0,0]=4 2833 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,1,1,0,0,0|2,0,0]=4 2834 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,1,1,0,0,0|2,0,0]=4 2835 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,1,1,0,0,0|2,0,0]=4 2836 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,1,1,0,0,0|2,0,0]=4 2837 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,1,1,0,0,0|2,0,0]=4 2838 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,1,1,0,0,0|2,0,0]=4 2839 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,1,1,0,0,0|2,0,0]=4 2840 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,1,1,0,0,0|2,0,0]=4 2841 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,1,1,0,0,0|2,0,0]=4 2842 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,1,1,0,0,0|2,0,0]=4 2843 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,1,1,0,0,0|1,0,0]=3 2844 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,1,1,0,0,0|1,0,0]=3 2845 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,1,1,0,0,0|1,0,0]=3 2846 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,1,1,0,0,0|1,0,0]=3 2847 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,1,1,0,0,0|1,0,0]=3 2848 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,1,1,0,0,0|1,0,0]=3 2849 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,1,1,0,0,0|1,0,0]=3 2850 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,1,1,0,0,0|1,0,0]=3 2851 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,1,1,0,0,0|1,0,0]=3 2852 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,1,1,0,0,0|1,0,0]=3 2853 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,1,1,0,0,0|1,0,0]=3 2854 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,1,1,0,0,0|1,0,0]=3 2855 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,1,1,0,0,0|1,0,0]=3 2856 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,1,1,0,0,0|1,0,0]=3 2857 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,1,1,0,0,0|1,0,0]=3 2858 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,1,1,0,0,0|1,0,0]=3 2859 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,1,1,0,0,0|1,0,0]=3 2860 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,1,1,0,0,0|1,0,0]=3 2861 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,1,1,0,0,0|1,0,0]=3 2862 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,1,1,0,0,0|2,0,0]=4 2863 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,1,1,0,0,0|2,0,0]=4 2864 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,1,1,0,0,0|1,0,0]=3 2865 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,1,1,0,0,0|1,0,0]=3 2866 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,1,1,0,0,0|1,0,0]=3 2867 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,1,1,0,0,0|1,0,0]=3 2868 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,1,1,0,0,0|1,0,0]=3 2869 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,1,1,0,0,0|1,0,0]=3 2870 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,1,1,0,0,0|1,0,0]=3 2871 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,1,1,0,0,0|1,0,0]=3 2872 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,1,1,0,0,0|1,0,0]=3 2873 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,1,1,0,0,0|1,0,0]=3 2874 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,1,1,0,0,0|1,0,0]=3 2875 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,1,1,0,0,0|1,0,0]=3 2876 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,1,1,0,0,0|1,0,0]=3 2877 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,1,1,0,0,0|1,0,0]=3 2878 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,1,1,0,0,0|1,0,0]=3 2879 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,1,1,0,0,0|1,0,0]=3 2880 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,1,1,0,0,0|1,0,0]=3 2881 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,1,1,0,0,0|1,0,0]=3 2882 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,1,1,0,0,0|1,0,0]=3 2883 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,1,1,0,0,0|1,0,0]=3 2884 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,1,1,0,0,0|1,0,0]=3 2885 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,1,1,0,0,0|1,0,0]=3 2886 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,1,1,0,0,0|1,0,0]=3 2887 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,1,1,0,0,0|1,0,0]=3 2888 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,1,1,0,0,0|1,0,0]=3 2889 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,1,1,0,0,0|1,0,0]=3 2890 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,1,1,0,0,0|1,0,0]=3 2891 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,1,1,0,0,0|1,0,0]=3 2892 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,1,1,0,0,0|1,0,0]=3 2893 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,1,1,0,0,0|1,0,0]=3 2894 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,1,1,0,0,0|1,0,0]=3 2895 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,1,1,0,0,0|1,0,0]=3 2896 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,1,1,0,0,0|1,0,0]=3 2897 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,1,1,0,0,0|1,0,0]=3 2898 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,1,1,0,0,0|1,0,0]=3 2899 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,1,1,0,0,0|1,0,0]=3 2900 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,1,1,0,0,0|1,0,0]=3 2901 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,1,1,0,0,0|1,0,0]=3 2902 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,1,1,0,0,0|1,0,0]=3 2903 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,1,1,0,0,0|1,0,0]=3 2904 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,1,1,0,0,0|1,0,0]=3 2905 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,1,1,0,0,0|1,0,0]=3 2906 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,1,1,0,0,0|1,0,0]=3 2907 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,1,1,0,0,0|1,0,0]=3 2908 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,1,1,0,0,0|1,0,0]=3 2909 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,1,1,0,0,0|1,0,0]=3 2910 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,1,1,0,0,0|1,0,0]=3 2911 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,1,1,0,0,0|2,0,0]=4 2912 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [0,1,1,0,0,0|2,0,0]=4 2913 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,1,1,0,0,0|1,0,1]=4 2914 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,1,1,0,0,0|1,0,1]=4 2915 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,1,1,0,0,0|1,0,1]=4 2916 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,1,1,0,0,0|1,0,1]=4 2917 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,1,1,0,0,0|1,0,1]=4 2918 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,1,1,0,0,0|1,0,0]=3 2919 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,1,1,0,0,0|1,0,0]=3 2920 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,1,1,0,0,0|1,0,0]=3 2921 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,1,1,0,0,0|1,0,0]=3 2922 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,1,1,0,0,0|1,0,0]=3 2923 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,1,1,0,0,0|1,0,0]=3 2924 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,1,1,0,0,0|1,0,0]=3 2925 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,1,1,0,0,0|1,0,0]=3 2926 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,1,1,0,0,0|1,0,0]=3 2927 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,1,1,0,0,0|1,0,0]=3 2928 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,1,1,0,0,0|1,0,0]=3 2929 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,1,1,0,0,0|1,0,0]=3 2930 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,1,1,0,0,0|1,0,0]=3 2931 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,1,1,0,0,0|1,0,0]=3 2932 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,1,1,0,0,0|1,0,0]=3 2933 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,1,1,0,0,0|1,0,0]=3 2934 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,1,1,0,0,0|1,0,0]=3 2935 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,1,1,0,0,0|1,0,1]=4 2936 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,1,1,0,0,0|0,0,2]=4 2937 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,1,1,0,0,0|1,0,0]=3 2938 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,1,1,0,0,0|1,0,0]=3 2939 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,1,1,0,0,0|2,0,0]=4 2940 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,1,1,0,0,0|0,0,0]=2 2941 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,1,1,0,0,0|1,0,0]=3 2942 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [0,1,1,0,0,0|1,0,1]=4 2943 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [0,1,1,0,0,0|1,0,1]=4 2944 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [0,1,1,0,0,0|1,0,1]=4 2945 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [0,1,1,0,0,0|0,0,1]=3 2946 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [0,1,1,0,0,0|0,0,2]=4 2947 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [0,1,1,0,0,0|1,0,1]=4 2948 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [0,1,1,0,0,0|0,0,1]=3 2949 B6R0.4 C#CCOC(=O)Cl MCULE-5453166266 [0,1,1,0,0,0|1,0,1]=4 2950 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [0,1,1,0,0,0|1,0,1]=4 2951 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [0,1,1,0,0,0|1,0,1]=4 2952 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,1,1,0,0,0|1,0,1]=4 2953 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [0,1,1,0,0,0|0,0,1]=3 2954 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [0,1,1,0,0,0|2,0,0]=4 2955 B6R0.4 C=C(C)CCCC MCULE-1010177756 [0,1,1,0,0,0|2,0,0]=4 2956 B6R0.4 C=C(C)CCCO MCULE-4629274490 [0,1,1,0,0,0|2,0,0]=4 2957 B6R0.4 C=C(C)CNCC MCULE-2237759977 [0,1,1,0,0,0|2,0,0]=4 2958 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [0,1,1,0,0,0|2,0,0]=4 2959 B6R0.4 C=C(F)CCCO MCULE-1688645687 [0,1,1,0,0,0|2,0,0]=4 2960 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [0,1,1,0,0,0|0,0,2]=4 2961 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [0,1,1,0,0,0|1,0,1]=4 2962 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [0,1,1,0,0,0|1,0,1]=4 2963 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,1,1,0,0,0|1,0,1]=4 2964 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,1,1,0,0,0|0,0,1]=3 2965 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [0,1,1,0,0,0|1,0,1]=4 2966 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,1,1,0,0,0|0,0,1]=3 2967 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [0,1,1,0,0,0|1,0,1]=4 2968 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,1,1,0,0,0|1,0,1]=4 2969 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,1,1,0,0,0|0,0,2]=4 2970 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [0,1,1,0,0,0|0,0,1]=3 2971 B6R0.4 CC(=CCCBr)C MCULE-9403575147 [0,1,1,0,0,0|2,0,0]=4 2972 B6R0.4 CC(=CCCN)C MCULE-9185531904 [0,1,1,0,0,0|2,0,0]=4 2973 B6R0.4 CC(=CCCO)C MCULE-2493404466 [0,1,1,0,0,0|2,0,0]=4 2974 B6R0.4 CC(=CCCO)C MCULE-8497528596 [0,1,1,0,0,0|2,0,0]=4 2975 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [0,1,1,0,0,0|1,0,1]=4 2976 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,1,1,0,0,0|1,0,1]=4 2977 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,1,1,0,0,0|1,0,0]=3 2978 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,1,1,0,0,0|1,0,0]=3 2979 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,1,1,0,0,0|1,0,0]=3 2980 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [0,1,1,0,0,0|1,0,1]=4 2981 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,1,1,0,0,0|1,0,0]=3 2982 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,1,1,0,0,0|1,0,0]=3 2983 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,1,1,0,0,0|1,0,0]=3 2984 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,1,1,0,0,0|1,0,0]=3 2985 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [0,1,1,0,0,0|0,0,1]=3 2986 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,1,1,0,0,0|0,0,0]=2 2987 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,1,1,0,0,0|0,0,0]=2 2988 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,1,1,0,0,0|0,0,0]=2 2989 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,1,1,0,0,0|0,0,0]=2 2990 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,1,1,0,0,0|0,0,0]=2 2991 B6R0.4 CC(=O)SCC#N MCULE-5864559051 [0,1,1,0,0,0|0,1,1]=4 2992 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,1,1,0,0,0|0,1,0]=3 2993 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,1,1,0,0,0|0,1,0]=3 2994 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,1,1,0,0,0|0,1,0]=3 2995 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,1,1,0,0,0|0,1,0]=3 2996 B6R0.4 CC(C)OCCBr MCULE-8869065375 [0,1,1,0,0,0|1,0,1]=4 2997 B6R0.4 CC(C)OCCCl MCULE-3848763715 [0,1,1,0,0,0|1,0,1]=4 2998 B6R0.4 CC(C)OCCI MCULE-8259612531 [0,1,1,0,0,0|1,0,1]=4 2999 B6R0.4 CC(C)OCCN MCULE-6140628944 [0,1,1,0,0,0|1,0,1]=4 3000 B6R0.4 CC(C)OCCN MCULE-7438591135 [0,1,1,0,0,0|1,0,1]=4 3001 B6R0.4 CC(C)OCCN MCULE-7614115649 [0,1,1,0,0,0|1,0,1]=4 3002 B6R0.4 CC(C)OCCO MCULE-8766149613 [0,1,1,0,0,0|1,0,1]=4 3003 B6R0.4 CC(O)CCCBr MCULE-5477662754 [0,1,1,0,0,0|1,0,1]=4 3004 B6R0.4 CC(O)CCCCl MCULE-6993728810 [0,1,1,0,0,0|1,0,1]=4 3005 B6R0.4 CC(O)CCCN MCULE-3754805134 [0,1,1,0,0,0|1,0,1]=4 3006 B6R0.4 CC(O)CCCO MCULE-6580326052 [0,1,1,0,0,0|1,0,1]=4 3007 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [0,1,1,0,0,0|1,0,1]=4 3008 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [0,1,1,0,0,0|0,0,1]=3 3009 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [0,1,1,0,0,0|0,0,1]=3 3010 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [0,1,1,0,0,0|1,0,0]=3 3011 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [0,1,1,0,0,0|0,0,1]=3 3012 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [0,1,1,0,0,0|1,0,0]=3 3013 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [0,1,1,0,0,0|1,0,1]=4 3014 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [0,1,1,0,0,0|0,0,1]=3 3015 B6R0.4 CCCC=C(C)C MCULE-2110588796 [0,1,1,0,0,0|2,0,0]=4 3016 B6R0.4 CCCCB(O)O MCULE-9002672645 [0,1,1,0,0,0|1,0,1]=4 3017 B6R0.4 CCCCC(=N)N MCULE-3271993509 [0,1,1,0,0,0|2,0,0]=4 3018 B6R0.4 CCCCC(=N)N MCULE-3935017760 [0,1,1,0,0,0|2,0,0]=4 3019 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,1,1,0,0,0|1,0,0]=3 3020 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,1,1,0,0,0|1,0,0]=3 3021 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,1,1,0,0,0|1,0,0]=3 3022 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,1,1,0,0,0|1,0,0]=3 3023 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,1,1,0,0,0|0,0,0]=2 3024 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,1,1,0,0,0|0,0,1]=3 3025 B6R0.4 CCCCC(=S)N MCULE-8236760762 [0,1,1,0,0,0|1,1,0]=4 3026 B6R0.4 CCCCC(C)O MCULE-6558228722 [0,1,1,0,0,0|1,0,1]=4 3027 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [0,1,1,0,0,0|1,0,1]=4 3028 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [0,1,1,0,0,0|1,0,1]=4 3029 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [0,1,1,0,0,0|1,0,1]=4 3030 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [0,1,1,0,0,0|1,0,1]=4 3031 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [0,1,1,0,0,0|1,0,1]=4 3032 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [0,1,1,0,0,0|1,0,1]=4 3033 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [0,1,1,0,0,0|1,0,1]=4 3034 B6R0.4 CCCNC(=N)N MCULE-6381843991 [0,1,1,0,0,0|2,0,0]=4 3035 B6R0.4 CCCNC(=N)N MCULE-8286774592 [0,1,1,0,0,0|2,0,0]=4 3036 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,1,1,0,0,0|1,0,0]=3 3037 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [0,1,1,0,0,0|1,0,0]=3 3038 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,1,1,0,0,0|1,0,0]=3 3039 B6R0.4 CCCNC(=S)N MCULE-3142756488 [0,1,1,0,0,0|1,1,0]=4 3040 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,1,1,0,0,0|0,0,0]=2 3041 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,1,1,0,0,0|1,0,0]=3 3042 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,1,1,0,0,0|1,0,0]=3 3043 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [0,1,1,0,0,0|0,2,0]=4 3044 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [0,1,1,0,0,0|0,2,0]=4 3045 B6R0.4 CCCON(=O)=O MCULE-3372904250 [0,1,1,0,0,0|1,0,1]=4 3046 B6R0.4 CCCSC(=N)N MCULE-4777505658 [0,1,1,0,0,0|2,0,0]=4 3047 B6R0.4 CCCSC(=N)N MCULE-8873393921 [0,1,1,0,0,0|2,0,0]=4 3048 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,1,1,0,0,0|0,1,0]=3 3049 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [0,1,1,0,0,0|1,0,0]=3 3050 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [0,1,1,0,0,0|2,0,0]=4 3051 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,1,1,0,0,0|1,0,0]=3 3052 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,1,1,0,0,0|1,0,0]=3 3053 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,1,1,0,0,0|1,0,0]=3 3054 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,1,1,0,0,0|1,0,0]=3 3055 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,1,1,0,0,0|0,0,0]=2 3056 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,1,1,0,0,0|0,0,0]=2 3057 B6R0.4 CCNCC(C)O MCULE-5078068369 [0,1,1,0,0,0|1,0,1]=4 3058 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [0,1,1,0,0,0|1,0,1]=4 3059 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [0,1,1,0,0,0|1,0,1]=4 3060 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [0,1,1,0,0,0|1,0,1]=4 3061 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [0,1,1,0,0,0|1,0,1]=4 3062 B6R0.4 CCOCC(=N)N MCULE-3232806707 [0,1,1,0,0,0|2,0,0]=4 3063 B6R0.4 CCOCC(=N)N MCULE-4996987536 [0,1,1,0,0,0|2,0,0]=4 3064 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,1,1,0,0,0|0,0,0]=2 3065 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,1,1,0,0,0|1,0,0]=3 3066 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,1,1,0,0,0|0,0,0]=2 3067 B6R0.4 CCOCC(=S)N MCULE-7064672670 [0,1,1,0,0,0|1,1,0]=4 3068 B6R0.4 CCOCC(C)C MCULE-7986128672 [0,1,1,0,0,0|1,0,1]=4 3069 B6R0.4 CCOCC(C)N MCULE-8540668261 [0,1,1,0,0,0|1,0,1]=4 3070 B6R0.4 CCOCC(C)N MCULE-8720228996 [0,1,1,0,0,0|1,0,1]=4 3071 B6R0.4 CCOCC(C)O MCULE-6224339526 [0,1,1,0,0,0|0,0,2]=4 3072 B6R0.4 CCOC[C@@H](C)N MCULE-7053460047 [0,1,1,0,0,0|1,0,1]=4 3073 B6R0.4 CCOC[C@@H](C)N MCULE-9865800502 [0,1,1,0,0,0|1,0,1]=4 3074 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [0,1,1,0,0,0|0,0,2]=4 3075 B6R0.4 CCOC[C@H](C)N MCULE-2897416804 [0,1,1,0,0,0|1,0,1]=4 3076 B6R0.4 CCOC[C@H](C)N MCULE-6799267946 [0,1,1,0,0,0|1,0,1]=4 3077 B6R0.4 CCONC(C)C MCULE-2412572743 [0,1,1,0,0,0|1,0,1]=4 3078 B6R0.4 CCONC(C)C MCULE-9246196365 [0,1,1,0,0,0|1,0,1]=4 3079 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,1,1,0,0,0|0,1,0]=3 3080 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,1,1,0,0,0|0,0,0]=2 3081 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,1,1,0,0,0|1,0,0]=3 3082 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,1,1,0,0,0|1,0,0]=3 3083 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,1,1,0,0,0|0,0,0]=2 3084 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,1,1,0,0,0|0,0,0]=2 3085 B6R0.4 CNCCC(C)O MCULE-1615526002 [0,1,1,0,0,0|1,0,1]=4 3086 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [0,1,1,0,0,0|1,0,1]=4 3087 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [0,1,1,0,0,0|0,0,2]=4 3088 B6R0.4 COC=CC(=O)C MCULE-4868833764 [0,1,1,0,0,0|1,0,1]=4 3089 B6R0.4 COC=CC(=O)O MCULE-4252899122 [0,1,1,0,0,0|0,0,2]=4 3090 B6R0.4 COCCC(=N)N MCULE-8118559492 [0,1,1,0,0,0|2,0,0]=4 3091 B6R0.4 COCCC(=N)N MCULE-9000138086 [0,1,1,0,0,0|2,0,0]=4 3092 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,1,1,0,0,0|1,0,0]=3 3093 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,1,1,0,0,0|1,0,0]=3 3094 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,1,1,0,0,0|1,0,0]=3 3095 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,1,1,0,0,0|0,0,0]=2 3096 B6R0.4 COCCC(C)O MCULE-6536001437 [0,1,1,0,0,0|1,0,1]=4 3097 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,1,1,0,0,0|2,0,0]=4 3098 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,1,1,0,0,0|0,0,0]=2 3099 B6R0.4 CON=CC(=O)O MCULE-6800819509 [0,1,1,0,0,0|1,0,1]=4 3100 B6R0.4 CS(=O)CCCN MCULE-1124989526 [0,1,1,0,0,0|2,0,0]=4 3101 B6R0.4 CS(=O)CCCN MCULE-8758903495 [0,1,1,0,0,0|2,0,0]=4 3102 B6R0.4 CSCCC(=N)N MCULE-3926353306 [0,1,1,0,0,0|2,0,0]=4 3103 B6R0.4 CSCCC(=N)N MCULE-4451485733 [0,1,1,0,0,0|2,0,0]=4 3104 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,1,1,0,0,0|1,0,0]=3 3105 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [0,1,1,0,0,0|1,0,0]=3 3106 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,1,1,0,0,0|1,0,0]=3 3107 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,1,1,0,0,0|0,0,0]=2 3108 B6R0.4 CSCCC(C)O MCULE-5934844952 [0,1,1,0,0,0|1,0,1]=4 3109 B6R0.4 CSCOC(=O)C MCULE-1498769347 [0,1,1,0,0,0|0,0,0]=2 3110 B6R0.4 CSSCC(=O)O MCULE-5829510166 [0,1,1,0,0,0|1,0,0]=3 3111 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [0,1,1,0,0,0|1,0,1]=4 3112 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [0,1,1,0,0,0|0,0,1]=3 3113 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [0,1,1,0,0,0|1,0,1]=4 3114 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [0,1,1,0,0,0|2,0,0]=4 3115 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,1,1,0,0,0|1,0,0]=3 3116 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,1,1,0,0,0|1,0,0]=3 3117 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,1,1,0,0,0|2,0,0]=4 3118 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,1,1,0,0,0|2,0,0]=4 3119 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,1,1,0,0,0|2,0,0]=4 3120 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,1,1,0,0,0|1,0,0]=3 3121 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,1,1,0,0,0|1,0,0]=3 3122 B6R0.4 NC(=S)CCCO MCULE-8951145487 [0,1,1,0,0,0|1,1,0]=4 3123 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [0,1,1,0,0,0|0,0,2]=4 3124 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [0,1,1,0,0,0|0,0,2]=4 3125 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [0,1,1,0,0,0|0,0,2]=4 3126 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [0,1,1,0,0,0|0,0,2]=4 3127 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [0,1,1,0,0,0|1,0,0]=3 3128 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [0,1,1,0,0,0|1,0,0]=3 3129 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,1,1,0,0,0|1,0,0]=3 3130 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,1,1,0,0,0|1,0,0]=3 3131 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,1,1,0,0,0|0,0,0]=2 3132 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,1,1,0,0,0|0,0,0]=2 3133 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,1,1,0,0,0|2,0,0]=4 3134 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,1,1,0,0,0|2,0,0]=4 3135 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,1,1,0,0,0|2,0,0]=4 3136 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,1,1,0,0,0|1,0,0]=3 3137 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,1,1,0,0,0|1,0,0]=3 3138 B6R0.4 NCCON(=O)=O MCULE-1660868950 [0,1,1,0,0,0|2,0,0]=4 3139 B6R0.4 NCCON(=O)=O MCULE-5781896981 [0,1,1,0,0,0|2,0,0]=4 3140 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,1,1,0,0,0|1,0,0]=3 3141 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,1,1,0,0,0|1,0,0]=3 3142 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [0,1,1,0,0,0|1,0,0]=3 3143 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [0,1,1,0,0,0|1,0,0]=3 3144 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,1,1,0,0,0|1,0,0]=3 3145 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,1,1,0,0,0|1,0,0]=3 3146 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,1,1,0,0,0|1,0,0]=3 3147 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [0,1,1,0,0,0|0,0,2]=4 3148 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [0,1,1,0,0,0|0,0,2]=4 3149 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [0,1,1,0,0,0|0,0,2]=4 3150 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [0,1,1,0,0,0|0,0,2]=4 3151 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [0,1,1,0,0,0|0,0,2]=4 3152 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [0,1,1,0,0,0|0,0,2]=4 3153 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [0,1,1,0,0,0|0,0,2]=4 3154 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [0,1,1,0,0,0|0,0,2]=4 3155 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [0,1,1,0,0,0|0,0,2]=4 3156 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,1,1,0,0,0|0,0,0]=2 3157 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,1,1,0,0,0|0,0,0]=2 3158 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,1,1,0,0,0|0,0,0]=2 3159 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,1,1,0,0,0|0,0,0]=2 3160 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,1,1,0,0,0|0,0,0]=2 3161 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,1,1,0,0,0|1,0,0]=3 3162 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [0,1,1,0,0,0|0,0,1]=3 3163 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [0,1,1,0,0,0|1,0,1]=4 3164 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,1,1,0,0,0|0,0,1]=3 3165 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [0,1,1,0,0,0|1,0,1]=4 3166 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [0,1,1,0,0,0|1,0,1]=4 3167 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [0,1,1,0,0,0|1,0,1]=4 3168 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [0,1,1,0,0,0|1,0,1]=4 3169 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [0,1,1,0,0,0|1,0,1]=4 3170 B6R0.5 CCCC(C)(C)O MCULE-2647276101 [0,1,1,0,0,0|1,0,1]=4 3171 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [0,1,1,0,0,0|1,0,0]=3 3172 B6R0.5 CCCS(=O)(=O)Cl MCULE-4980552385 [0,1,1,0,0,0|1,0,1]=4 3173 B6R0.5 CCCS(=O)(=O)F MCULE-7811564151 [0,1,1,0,0,0|1,0,1]=4 3174 B6R0.5 CCCS(=O)(=O)N MCULE-1554874611 [0,1,1,0,0,0|1,0,1]=4 3175 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [0,1,1,0,0,0|1,0,0]=3 3176 B6R0.5 CCCS(=O)(=O)[O-] MCULE-5970988364 [0,1,1,0,0,0|1,0,1]=4 3177 B6R0.5 CCNS(=O)(=O)C MCULE-7880259383 [0,1,1,0,0,0|2,0,0]=4 3178 B6R0.5 CCNS(=O)(=O)O MCULE-8674266317 [0,1,1,0,0,0|2,0,0]=4 3179 B6R0.5 CCOC(C)(C)C MCULE-7572618089 [0,1,1,0,0,0|1,0,1]=4 3180 B6R0.5 CCOP(=O)(C)S MCULE-4864782374 [0,1,1,0,0,0|1,0,0]=3 3181 B6R0.5 CCOP(=O)(Cl)Cl MCULE-7927319323 [0,1,1,0,0,0|2,0,0]=4 3182 B6R0.5 CCOP(=S)(C)[O-] MCULE-9404531218 [0,1,1,0,0,0|1,0,1]=4 3183 B6R0.5 CCOS(=O)(=O)C MCULE-7269389229 [0,1,1,0,0,0|1,0,0]=3 3184 B6R0.5 CCOS(=O)(=O)Cl MCULE-5545793001 [0,1,1,0,0,0|2,0,0]=4 3185 B6R0.5 CCOS(=O)(=O)N MCULE-5392957728 [0,1,1,0,0,0|2,0,0]=4 3186 B6R0.5 CCO[Si](C)(C)C MCULE-5246306540 [0,1,1,0,0,0|1,1,0]=4 3187 B6R0.5 CNCP(=O)(O)O MCULE-6684762988 [0,1,1,0,0,0|2,0,0]=4 3188 B6R0.5 CS(=O)(=S)OCBr MCULE-7749578002 [0,1,1,0,0,0|2,0,0]=4 3189 B6R0.5 NCCP(=O)(O)O MCULE-6030069631 [0,1,1,0,0,0|2,0,0]=4 3190 B6R0.5 NCCP(=O)(O)O MCULE-7710471805 [0,1,1,0,0,0|2,0,0]=4 3191 B6R0.5 NCCS(=O)(=O)O MCULE-6041857208 [0,1,1,0,0,0|2,0,0]=4 3192 B6R0.5 O=P(O)(O)CCBr MCULE-3355549967 [0,1,1,0,0,0|2,0,0]=4 3193 B6R0.5 O=P(O)(O)CCCl MCULE-4131416773 [0,1,1,0,0,0|2,0,0]=4 3194 B6R0.5 O=P(O)(O)CCO MCULE-9752100956 [0,1,1,0,0,0|2,0,0]=4 3195 B6R0.5 O=S(=O)(O)CCBr MCULE-3291252302 [0,1,1,0,0,0|2,0,0]=4 3196 B6R0.5 O=S(=O)(O)CCCl MCULE-9043359543 [0,1,1,0,0,0|2,0,0]=4 3197 B6R0.5 O=S(=O)(O)CCO MCULE-8075949368 [0,1,1,0,0,0|2,0,0]=4 3198 B6R0.5 O=S(=O)(O)CCS MCULE-1073050356 [0,1,1,0,0,0|2,0,0]=4 3199 B6R0.6 C#CCCCC=C MCULE-2596375073 [0,1,1,0,0,0|2,0,0]=4 3200 B6R0.6 C#CCCCC=O MCULE-4075029417 [0,1,1,0,0,0|1,0,0]=3 3201 B6R0.6 C#CCCCCO MCULE-2977997146 [0,1,1,0,0,0|1,0,1]=4 3202 B6R0.6 C#CCCCOC MCULE-3174650949 [0,1,1,0,0,0|1,0,1]=4 3203 B6R0.6 C#CCCCON MCULE-5269610423 [0,1,1,0,0,0|1,0,1]=4 3204 B6R0.6 C#CCNCCO MCULE-4984192820 [0,1,1,0,0,0|1,0,1]=4 3205 B6R0.6 C#CCOCCO MCULE-4502913039 [0,1,1,0,0,0|1,0,1]=4 3206 B6R0.6 C#CCSCCO MCULE-6167723961 [0,1,1,0,0,0|1,0,1]=4 3207 B6R0.6 C(=C/CCC)\CO MCULE-6491762150 [0,1,1,0,0,0|1,0,1]=4 3208 B6R0.6 C/C=C/CCCC MCULE-6900331316 [0,1,1,0,0,0|2,0,0]=4 3209 B6R0.6 C/C=C/CCCO MCULE-9865436125 [0,1,1,0,0,0|1,0,0]=3 3210 B6R0.6 C/C=C\CCCC MCULE-8426867799 [0,1,1,0,0,0|2,0,0]=4 3211 B6R0.6 C/C=C\CCCO MCULE-3169839661 [0,1,1,0,0,0|1,0,0]=3 3212 B6R0.6 C=CC=CCCO MCULE-5956097722 [0,1,1,0,0,0|1,0,1]=4 3213 B6R0.6 C=CCC#CCO MCULE-2958886356 [0,1,1,0,0,0|1,0,1]=4 3214 B6R0.6 C=CCCCC#N MCULE-3708293792 [0,1,1,0,0,0|2,0,0]=4 3215 B6R0.6 C=CCCCC=O MCULE-8676840281 [0,1,1,0,0,0|1,0,0]=3 3216 B6R0.6 C=CCCCCBr MCULE-4313298656 [0,1,1,0,0,0|2,0,0]=4 3217 B6R0.6 C=CCCCCC MCULE-5868303078 [0,1,1,0,0,0|2,0,0]=4 3218 B6R0.6 C=CCCCCCl MCULE-7600727876 [0,1,1,0,0,0|2,0,0]=4 3219 B6R0.6 C=CCCCCI MCULE-5694143061 [0,1,1,0,0,0|2,0,0]=4 3220 B6R0.6 C=CCCCCN MCULE-1489231988 [0,1,1,0,0,0|2,0,0]=4 3221 B6R0.6 C=CCCCCN MCULE-4288584778 [0,1,1,0,0,0|2,0,0]=4 3222 B6R0.6 C=CCCCCO MCULE-3631432277 [0,1,1,0,0,0|1,0,0]=3 3223 B6R0.6 C=CCCCNC MCULE-6696525157 [0,1,1,0,0,0|2,0,0]=4 3224 B6R0.6 C=CCCCNC MCULE-7417274044 [0,1,1,0,0,0|2,0,0]=4 3225 B6R0.6 C=CCCCON MCULE-6496647420 [0,1,1,0,0,0|1,0,0]=3 3226 B6R0.6 C=CCCCON MCULE-7055713530 [0,1,1,0,0,0|1,0,0]=3 3227 B6R0.6 C=CCNCCC MCULE-4239068147 [0,1,1,0,0,0|2,0,0]=4 3228 B6R0.6 C=CCNCCC MCULE-9778489216 [0,1,1,0,0,0|2,0,0]=4 3229 B6R0.6 C=CCNCCO MCULE-5860509324 [0,1,1,0,0,0|1,0,0]=3 3230 B6R0.6 C=CCOCC=O MCULE-8507800253 [0,1,1,0,0,0|0,0,2]=4 3231 B6R0.6 C=CCOCCBr MCULE-7565992230 [0,1,1,0,0,0|2,0,0]=4 3232 B6R0.6 C=CCOCCCl MCULE-1353236332 [0,1,1,0,0,0|2,0,0]=4 3233 B6R0.6 C=CCOCCI MCULE-8468439129 [0,1,1,0,0,0|2,0,0]=4 3234 B6R0.6 C=CCOCCN MCULE-5411259412 [0,1,1,0,0,0|2,0,0]=4 3235 B6R0.6 C=CCOCCN MCULE-9798285838 [0,1,1,0,0,0|2,0,0]=4 3236 B6R0.6 C=CCOCCO MCULE-5718868633 [0,1,1,0,0,0|1,0,0]=3 3237 B6R0.6 C=CCOCOC MCULE-6553342654 [0,1,1,0,0,0|2,0,0]=4 3238 B6R0.6 C=CCSCCC MCULE-3855352363 [0,1,1,0,0,0|1,1,0]=4 3239 B6R0.6 C=CCSCCN MCULE-3972995930 [0,1,1,0,0,0|2,0,0]=4 3240 B6R0.6 C=CCSCCN MCULE-9922932955 [0,1,1,0,0,0|2,0,0]=4 3241 B6R0.6 C=COCCCC MCULE-2025922328 [0,1,1,0,0,0|1,0,0]=3 3242 B6R0.6 C=COCCCN MCULE-1669664157 [0,1,1,0,0,0|1,0,0]=3 3243 B6R0.6 C=COCCCO MCULE-8325617945 [0,1,1,0,0,0|1,0,0]=3 3244 B6R0.6 C=COCCOC MCULE-6845218696 [0,1,1,0,0,0|1,0,0]=3 3245 B6R0.6 C=COCCON MCULE-8247202981 [0,1,1,0,0,0|2,0,0]=4 3246 B6R0.6 CC#CCCCO MCULE-6502564684 [0,1,1,0,0,0|1,0,1]=4 3247 B6R0.6 CC/C=C/CCC MCULE-5222700461 [0,1,1,0,0,0|2,0,0]=4 3248 B6R0.6 CC/C=C/CCO MCULE-9853729917 [0,1,1,0,0,0|1,0,1]=4 3249 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [0,1,1,0,0,0|1,0,1]=4 3250 B6R0.6 CC/C=C\CCO MCULE-9206958060 [0,1,1,0,0,0|1,0,1]=4 3251 B6R0.6 CC=CCCCBr MCULE-1109208969 [0,1,1,0,0,0|2,0,0]=4 3252 B6R0.6 CC=CCCCC MCULE-7277981733 [0,1,1,0,0,0|2,0,0]=4 3253 B6R0.6 CC=CCCCCl MCULE-7487798637 [0,1,1,0,0,0|2,0,0]=4 3254 B6R0.6 CC=CCCCO MCULE-1401303632 [0,1,1,0,0,0|1,0,0]=3 3255 B6R0.6 CC=CSCCC MCULE-3534082442 [0,1,1,0,0,0|1,1,0]=4 3256 B6R0.6 CCC#CCC=O MCULE-4049790039 [0,1,1,0,0,0|1,0,1]=4 3257 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [0,1,1,0,0,0|1,0,0]=3 3258 B6R0.6 CCC=CCC=O MCULE-5764198290 [0,1,1,0,0,0|1,0,1]=4 3259 B6R0.6 CCC=CCCC MCULE-3739501724 [0,1,1,0,0,0|2,0,0]=4 3260 B6R0.6 CCC=CCCO MCULE-1781375433 [0,1,1,0,0,0|1,0,1]=4 3261 B6R0.6 CCCC=CC=O MCULE-5273169296 [0,1,1,0,0,0|1,0,0]=3 3262 B6R0.6 CCCC=CCBr MCULE-2474104566 [0,1,1,0,0,0|2,0,0]=4 3263 B6R0.6 CCCC=CCO MCULE-3204738641 [0,1,1,0,0,0|1,0,1]=4 3264 B6R0.6 CCCCCC=O MCULE-6770578514 [0,1,1,0,0,0|1,0,0]=3 3265 B6R0.6 CCCCCCO MCULE-4299150163 [0,1,1,0,0,0|1,0,1]=4 3266 B6R0.6 CCCCCOC MCULE-3370181741 [0,1,1,0,0,0|1,0,1]=4 3267 B6R0.6 CCCCCON MCULE-5372426564 [0,1,1,0,0,0|1,0,1]=4 3268 B6R0.6 CCCCCON MCULE-8557641459 [0,1,1,0,0,0|1,0,1]=4 3269 B6R0.6 CCCCN=C=O MCULE-3381327717 [0,1,1,0,0,0|1,0,1]=4 3270 B6R0.6 CCCCNC=O MCULE-8821792924 [0,1,1,0,0,0|1,0,0]=3 3271 B6R0.6 CCCCOC=O MCULE-4633421026 [0,1,1,0,0,0|0,0,0]=2 3272 B6R0.6 CCCCOCC MCULE-5662731951 [0,1,1,0,0,0|1,0,1]=4 3273 B6R0.6 CCCCOCCl MCULE-5282964693 [0,1,1,0,0,0|1,0,1]=4 3274 B6R0.6 CCCCON=O MCULE-9992790020 [0,1,1,0,0,0|1,0,0]=3 3275 B6R0.6 CCCNCCO MCULE-4813687741 [0,1,1,0,0,0|1,0,1]=4 3276 B6R0.6 CCCNOCC MCULE-1349462426 [0,1,1,0,0,0|1,0,1]=4 3277 B6R0.6 CCCNOCC MCULE-7159087335 [0,1,1,0,0,0|1,0,1]=4 3278 B6R0.6 CCCOCC#N MCULE-7011471802 [0,1,1,0,0,0|1,0,1]=4 3279 B6R0.6 CCCOCCC MCULE-1390130917 [0,1,1,0,0,0|1,0,1]=4 3280 B6R0.6 CCCOCCCl MCULE-6561613708 [0,1,1,0,0,0|1,0,1]=4 3281 B6R0.6 CCCOCCI MCULE-5330098176 [0,1,1,0,0,0|1,0,1]=4 3282 B6R0.6 CCCOCCN MCULE-1987261931 [0,1,1,0,0,0|1,0,1]=4 3283 B6R0.6 CCCOCCN MCULE-9033871038 [0,1,1,0,0,0|1,0,1]=4 3284 B6R0.6 CCCOCCO MCULE-3263526264 [0,1,1,0,0,0|0,0,2]=4 3285 B6R0.6 CCCSCCO MCULE-8371796663 [0,1,1,0,0,0|1,0,1]=4 3286 B6R0.6 CCNCCCO MCULE-3251610052 [0,1,1,0,0,0|1,0,1]=4 3287 B6R0.6 CCOCCC=O MCULE-1664130148 [0,1,1,0,0,0|1,0,0]=3 3288 B6R0.6 CCOCCCBr MCULE-6544747281 [0,1,1,0,0,0|1,0,1]=4 3289 B6R0.6 CCOCCCCl MCULE-8523618681 [0,1,1,0,0,0|1,0,1]=4 3290 B6R0.6 CCOCCCI MCULE-6640732668 [0,1,1,0,0,0|1,0,1]=4 3291 B6R0.6 CCOCCCN MCULE-3491529722 [0,1,1,0,0,0|1,0,1]=4 3292 B6R0.6 CCOCCCO MCULE-3077567484 [0,1,1,0,0,0|1,0,1]=4 3293 B6R0.6 CCOCCNC MCULE-5244682559 [0,1,1,0,0,0|1,0,1]=4 3294 B6R0.6 CCOCCNC MCULE-9344296133 [0,1,1,0,0,0|1,0,1]=4 3295 B6R0.6 CCOCCOC MCULE-2753000412 [0,1,1,0,0,0|1,0,1]=4 3296 B6R0.6 CCOCOCC MCULE-3885854108 [0,1,1,0,0,0|1,0,1]=4 3297 B6R0.6 CCSCCC=O MCULE-2493452950 [0,1,1,0,0,0|1,0,0]=3 3298 B6R0.6 CCSCCCO MCULE-6719011943 [0,1,1,0,0,0|1,0,1]=4 3299 B6R0.6 CNCCCCO MCULE-9264393637 [0,1,1,0,0,0|1,0,1]=4 3300 B6R0.6 CNCCCOC MCULE-4057126907 [0,1,1,0,0,0|2,0,0]=4 3301 B6R0.6 CNCCCOC MCULE-8552551858 [0,1,1,0,0,0|2,0,0]=4 3302 B6R0.6 CNOCCOC MCULE-2652662364 [0,1,1,0,0,0|2,0,0]=4 3303 B6R0.6 CNOCCOC MCULE-3394597000 [0,1,1,0,0,0|2,0,0]=4 3304 B6R0.6 COCCCC#N MCULE-8739581354 [0,1,1,0,0,0|1,0,1]=4 3305 B6R0.6 COCCCC=O MCULE-2055914202 [0,1,1,0,0,0|0,0,0]=2 3306 B6R0.6 COCCCCBr MCULE-7500019583 [0,1,1,0,0,0|1,0,1]=4 3307 B6R0.6 COCCCCCl MCULE-3863170338 [0,1,1,0,0,0|1,0,1]=4 3308 B6R0.6 COCCCCN MCULE-9584631056 [0,1,1,0,0,0|1,0,1]=4 3309 B6R0.6 COCCCCO MCULE-2543196930 [0,1,1,0,0,0|0,0,2]=4 3310 B6R0.6 COCCCCO MCULE-8659106280 [0,1,1,0,0,0|0,0,2]=4 3311 B6R0.6 COCCCNN MCULE-5097653856 [0,1,1,0,0,0|2,0,0]=4 3312 B6R0.6 COCCCNN MCULE-7758841774 [0,1,1,0,0,0|2,0,0]=4 3313 B6R0.6 COCCCOC MCULE-5003816236 [0,1,1,0,0,0|2,0,0]=4 3314 B6R0.6 COCCCON MCULE-3859091617 [0,1,1,0,0,0|2,0,0]=4 3315 B6R0.6 COCCCON MCULE-4419390097 [0,1,1,0,0,0|2,0,0]=4 3316 B6R0.6 COCCN=C=O MCULE-7139432642 [0,1,1,0,0,0|1,0,1]=4 3317 B6R0.6 COCCNC=O MCULE-9003279073 [0,1,1,0,0,0|1,0,0]=3 3318 B6R0.6 COCCOCCl MCULE-6701095927 [0,1,1,0,0,0|1,0,1]=4 3319 B6R0.6 COCOCCO MCULE-8093241209 [0,1,1,0,0,0|2,0,0]=4 3320 B6R0.6 CSCCCC=O MCULE-6353729217 [0,1,1,0,0,0|0,1,0]=3 3321 B6R0.6 CSCCCCO MCULE-1045422424 [0,1,1,0,0,0|0,1,1]=4 3322 B6R0.6 CSCCCON MCULE-2543326517 [0,1,1,0,0,0|2,0,0]=4 3323 B6R0.6 CSCCN=C=O MCULE-4217751051 [0,1,1,0,0,0|1,0,1]=4 3324 B6R0.6 N#CCCCCO MCULE-4289736283 [0,1,1,0,0,0|1,0,1]=4 3325 B6R0.6 N#N=NCCCO MCULE-3148876760 [0,1,1,0,0,0|2,0,0]=4 3326 B6R0.6 NCCCCCO MCULE-8877250712 [0,1,1,0,0,0|1,0,1]=4 3327 B6R0.6 NCCCCNO MCULE-6478748569 [0,1,1,0,0,0|1,0,1]=4 3328 B6R0.6 NCCCNC=O MCULE-9651299205 [0,1,1,0,0,0|1,0,0]=3 3329 B6R0.6 NCCNCCO MCULE-2112359407 [0,1,1,0,0,0|1,0,1]=4 3330 B6R0.6 NCCOCCO MCULE-1073574088 [0,1,1,0,0,0|1,0,1]=4 3331 B6R0.6 NCCSCCO MCULE-1475378446 [0,1,1,0,0,0|1,0,1]=4 3332 B6R0.6 NNCCCCO MCULE-3928748589 [0,1,1,0,0,0|1,0,1]=4 3333 B6R0.6 NOCCCON MCULE-1133530094 [0,1,1,0,0,0|2,0,0]=4 3334 B6R0.6 NOCCCON MCULE-5394799847 [0,1,1,0,0,0|2,0,0]=4 3335 B6R0.6 O=C=NCCCCl MCULE-4158367269 [0,1,1,0,0,0|1,0,1]=4 3336 B6R0.6 O=CCCCC=O MCULE-6802048757 [0,1,1,0,0,0|0,0,1]=3 3337 B6R0.6 O=CCCCCCl MCULE-1257670284 [0,1,1,0,0,0|1,0,0]=3 3338 B6R0.6 O=CCCCCO MCULE-7959082228 [0,1,1,0,0,0|0,0,0]=2 3339 B6R0.6 O=CNCCCO MCULE-7926485528 [0,1,1,0,0,0|0,0,0]=2 3340 B6R0.6 O=NCNCCO MCULE-4478167391 [0,1,1,0,0,0|1,0,0]=3 3341 B6R0.6 OCCCCCBr MCULE-1444733196 [0,1,1,0,0,0|1,0,1]=4 3342 B6R0.6 OCCCCCCl MCULE-5666058059 [0,1,1,0,0,0|1,0,1]=4 3343 B6R0.6 OCCCCCF MCULE-9253204275 [0,1,1,0,0,0|1,0,1]=4 3344 B6R0.6 OCCCCCI MCULE-8707758496 [0,1,1,0,0,0|1,0,1]=4 3345 B6R0.6 OCCCCCO MCULE-1044076048 [0,1,1,0,0,0|0,0,2]=4 3346 B6R0.6 OCCNCCCl MCULE-7809492267 [0,1,1,0,0,0|1,0,1]=4 3347 B6R0.6 OCCNCCCl MCULE-9007709158 [0,1,1,0,0,0|1,0,1]=4 3348 B6R0.6 OCCNCCO MCULE-9183096746 [0,1,1,0,0,0|0,0,2]=4 3349 B6R0.6 OCCNCCO MCULE-9803420258 [0,1,1,0,0,0|0,0,2]=4 3350 B6R0.6 OCCOCCBr MCULE-2641000270 [0,1,1,0,0,0|1,0,1]=4 3351 B6R0.6 OCCOCCCl MCULE-7320539957 [0,1,1,0,0,0|1,0,1]=4 3352 B6R0.6 OCCOCCF MCULE-1780385479 [0,1,1,0,0,0|1,0,1]=4 3353 B6R0.6 OCCOCCI MCULE-1083607130 [0,1,1,0,0,0|1,0,1]=4 3354 B6R0.6 OCCOCCO MCULE-1531783732 [0,1,1,0,0,0|0,0,2]=4 3355 B6R0.6 OCCSCCO MCULE-5502656030 [0,1,1,0,0,0|0,0,2]=4 3356 B6R0.6 OCCSCCS MCULE-4418561990 [0,1,1,0,0,0|0,1,1]=4 3357 B6R0.8 CCC(C)(C)OC MCULE-3328037871 [0,1,1,0,0,0|1,0,1]=4 3358 B6R0.8 CCP(=O)(O)CC MCULE-3198153356 [0,1,1,0,0,0|2,0,0]=4 3359 B6R0.8 CCS(=N)(=O)CC MCULE-1377380719 [0,1,1,0,0,0|2,0,0]=4 3360 B6R0.8 CCS(=O)(=O)CC MCULE-5339813362 [0,1,1,0,0,0|2,0,0]=4 3361 B6R0.8 CCS(=O)(=O)NC MCULE-6063674993 [0,1,1,0,0,0|2,0,0]=4 3362 B6R0.8 CCS(=O)(=O)OC MCULE-7196280359 [0,1,1,0,0,0|1,0,0]=3 3363 B6R0.8 COP(=O)(C)OC MCULE-7555071260 [0,1,1,0,0,0|2,0,0]=4 3364 B6R0.8 COP(=O)(Cl)OC MCULE-6641992442 [0,1,1,0,0,0|2,0,0]=4 3365 B6R0.8 COP(=O)(O)OC MCULE-4893199912 [0,1,1,0,0,0|2,0,0]=4 3366 B6R0.8 COP(=O)([O-])OC MCULE-8674997571 [0,1,1,0,0,0|2,0,0]=4 3367 B6R0.8 COP(=O)([S-])OC MCULE-9104059418 [0,1,1,0,0,0|2,0,0]=4 3368 B6R0.8 COS(=O)(=O)OC MCULE-2861298645 [0,1,1,0,0,0|2,0,0]=4 3369 B6R0.9 C/C=C(/C=O)\CC MCULE-4811305564 [0,1,1,0,0,0|1,0,0]=3 3370 B6R0.9 CC=C(C#N)CC MCULE-7873183675 [0,1,1,0,0,0|2,0,0]=4 3371 B6R0.9 CC=C(C=O)CC MCULE-3354209980 [0,1,1,0,0,0|1,0,0]=3 3372 B6R0.9 CC=C(CC)CC MCULE-5609717261 [0,1,1,0,0,0|2,0,0]=4 3373 B6R0.9 CCB(CC)OC MCULE-5839415433 [0,1,1,0,0,0|2,0,0]=4 3374 B6R0.9 CCC(=CO)CC MCULE-4973169590 [0,1,1,0,0,0|1,0,1]=4 3375 B6R0.9 CCC(=CO)CC MCULE-8459100577 [0,1,1,0,0,0|1,0,1]=4 3376 B6R0.9 CCC(C=O)CC MCULE-3529464122 [0,1,1,0,0,0|1,0,1]=4 3377 B6R0.9 CCC(CBr)OC MCULE-1656817461 [0,1,1,0,0,0|1,0,1]=4 3378 B6R0.9 CCC(CN)OC MCULE-2981477258 [0,1,1,0,0,0|1,0,1]=4 3379 B6R0.9 CCC(CN)OC MCULE-5102774189 [0,1,1,0,0,0|1,0,1]=4 3380 B6R0.9 CCC(CO)OC MCULE-3822452142 [0,1,1,0,0,0|0,0,2]=4 3381 B6R0.9 CCC(OC)OC MCULE-8987892974 [0,1,1,0,0,0|0,0,2]=4 3382 B6R0.9 CCN(C=O)CC MCULE-9053231156 [0,1,1,0,0,0|2,0,0]=4 3383 B6R0.9 CCN(CC)N=O MCULE-8931177297 [0,1,1,0,0,0|2,0,0]=4 3384 B6R0.9 COC(C=O)OC MCULE-7354932286 [0,1,1,0,0,0|1,0,1]=4 3385 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,1,0,0,1,0|0,0,0]=2 3386 B6R1.4 CC1CCC1N MCULE-9634057678 [0,1,0,0,1,0|1,0,1]=4 3387 B6R1.4 CC1CCC1N MCULE-9849489304 [0,1,0,0,1,0|1,0,1]=4 3388 B6R1.4 CC1CCC1O MCULE-3852133104 [0,1,0,0,1,0|0,0,2]=4 3389 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,1,0,0,1,0|1,0,0]=3 3390 B6R1.4 CC1COC1=O MCULE-9711165188 [0,1,0,0,1,0|0,0,0]=2 3391 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,1,0,0,1,0|1,0,0]=3 3392 B6R1.4 CC1OCC1O MCULE-1893283492 [0,1,0,0,1,0|1,0,1]=4 3393 B6R1.4 C[C@@H]1CC[C@@H]1N MCULE-9803413081 [0,1,0,0,1,0|1,0,1]=4 3394 B6R1.4 C[C@@H]1CC[C@H]1N MCULE-3888655890 [0,1,0,0,1,0|1,0,1]=4 3395 B6R1.4 C[C@H]1CC[C@@H]1N MCULE-1445146965 [0,1,0,0,1,0|1,0,1]=4 3396 B6R1.4 C[C@H]1CC[C@H]1N MCULE-3329522369 [0,1,0,0,1,0|1,0,1]=4 3397 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,1,0,0,1,0|0,0,0]=2 3398 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,1,0,0,1,0|0,0,0]=2 3399 B6R1.4 NC1CCC1F MCULE-1403984623 [0,1,0,0,1,0|1,0,1]=4 3400 B6R1.4 NC1CCC1F MCULE-8216841286 [0,1,0,0,1,0|1,0,1]=4 3401 B6R1.4 NC1CCC1N MCULE-6052332328 [0,1,0,0,1,0|1,0,1]=4 3402 B6R1.4 NC1CCC1O MCULE-4636397534 [0,1,0,0,1,0|0,0,2]=4 3403 B6R1.4 NC1CCC1O MCULE-7148132261 [0,1,0,0,1,0|0,0,2]=4 3404 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,1,0,0,1,0|1,0,0]=3 3405 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,1,0,0,1,0|1,0,0]=3 3406 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,1,0,0,1,0|1,0,0]=3 3407 B6R1.4 NC1COC1=O MCULE-6998565452 [0,1,0,0,1,0|0,0,0]=2 3408 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,1,0,0,1,0|1,0,0]=3 3409 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,1,0,0,1,0|1,0,0]=3 3410 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,1,0,0,1,0|0,0,2]=4 3411 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,1,0,0,1,0|0,0,2]=4 3412 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,1,0,0,1,0|0,0,2]=4 3413 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,1,0,0,1,0|0,0,2]=4 3414 B6R1.4 N[C@@H]1CC[C@H]1N MCULE-6204977772 [0,1,0,0,1,0|1,0,1]=4 3415 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,1,0,0,1,0|0,0,2]=4 3416 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,1,0,0,1,0|0,0,2]=4 3417 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,1,0,0,1,0|0,0,2]=4 3418 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [0,1,0,0,1,0|0,0,2]=4 3419 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,1,0,0,1,0|1,0,0]=3 3420 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,1,0,0,1,0|1,0,0]=3 3421 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,1,0,0,1,0|1,0,0]=3 3422 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,1,0,0,1,0|1,0,0]=3 3423 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,1,0,0,1,0|0,0,0]=2 3424 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,1,0,0,1,0|0,0,0]=2 3425 B6R1.4 N[C@H]1CC[C@@H]1N MCULE-3551063683 [0,1,0,0,1,0|1,0,1]=4 3426 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,1,0,0,1,0|0,0,2]=4 3427 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,1,0,0,1,0|0,0,2]=4 3428 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,1,0,0,1,0|0,0,2]=4 3429 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,1,0,0,1,0|0,0,2]=4 3430 B6R1.4 N[C@H]1CC[C@H]1N MCULE-2823061893 [0,1,0,0,1,0|1,0,1]=4 3431 B6R1.4 N[C@H]1CC[C@H]1N MCULE-6752412872 [0,1,0,0,1,0|1,0,1]=4 3432 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,1,0,0,1,0|0,0,2]=4 3433 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,1,0,0,1,0|0,0,2]=4 3434 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,1,0,0,1,0|1,0,0]=3 3435 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,1,0,0,1,0|1,0,0]=3 3436 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,1,0,0,1,0|1,0,0]=3 3437 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,1,0,0,1,0|1,0,0]=3 3438 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,1,0,0,1,0|0,0,0]=2 3439 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,1,0,0,1,0|0,0,0]=2 3440 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,1,0,0,1,0|0,0,0]=2 3441 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,1,0,0,1,0|0,0,0]=2 3442 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,1,0,0,1,0|0,0,0]=2 3443 B6R1.4 OC1CCC1O MCULE-3286787157 [0,1,0,0,1,0|0,0,2]=4 3444 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-5060593050 [0,1,0,0,1,0|0,0,2]=4 3445 B6R1.4 O[C@@H]1CC[C@H]1O MCULE-6357622033 [0,1,0,0,1,0|0,0,2]=4 3446 B6R1.4 O[C@H]1CC[C@H]1O MCULE-7964152901 [0,1,0,0,1,0|0,0,2]=4 3447 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,1,0,0,1,0|0,0,0]=2 3448 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,1,0,0,1,0|0,0,1]=3 3449 B6R1.5 C=C1CC(C1)N MCULE-4635717695 [0,1,0,0,1,0|1,0,0]=3 3450 B6R1.5 C=C1CC(C1)N MCULE-6992894696 [0,1,0,0,1,0|1,0,0]=3 3451 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,1,0,0,1,0|0,0,0]=2 3452 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,1,0,0,1,0|1,0,0]=3 3453 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,1,0,0,1,0|0,0,0]=2 3454 B6R1.5 CC1CC(C1)N MCULE-5323299846 [0,1,0,0,1,0|1,0,1]=4 3455 B6R1.5 CC1CC(C1)N MCULE-9940885824 [0,1,0,0,1,0|1,0,1]=4 3456 B6R1.5 CC1CC(C1)O MCULE-8612661286 [0,1,0,0,1,0|0,0,2]=4 3457 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [0,1,0,0,1,0|1,0,0]=3 3458 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [0,1,0,0,1,0|1,0,0]=3 3459 B6R1.5 CN1CC(C1)Cl MCULE-8475620447 [0,1,0,0,1,0|2,0,0]=4 3460 B6R1.5 CN1CC(C1)Cl MCULE-8543507391 [0,1,0,0,1,0|2,0,0]=4 3461 B6R1.5 CN1CC(C1)N MCULE-2180239206 [0,1,0,0,1,0|2,0,0]=4 3462 B6R1.5 CN1CC(C1)N MCULE-4181047352 [0,1,0,0,1,0|2,0,0]=4 3463 B6R1.5 CN1CC(C1)O MCULE-2897194266 [0,1,0,0,1,0|2,0,0]=4 3464 B6R1.5 CN1CC(C1)O MCULE-3717153558 [0,1,0,0,1,0|2,0,0]=4 3465 B6R1.5 CN1CC(C1)O MCULE-7229396078 [0,1,0,0,1,0|2,0,0]=4 3466 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,1,0,0,1,0|0,0,0]=2 3467 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-1535311916 [0,1,0,0,1,0|1,0,1]=4 3468 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-2831484375 [0,1,0,0,1,0|1,0,1]=4 3469 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-7323273959 [0,1,0,0,1,0|1,0,1]=4 3470 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-9517005721 [0,1,0,0,1,0|1,0,1]=4 3471 B6R1.5 C[C@H]1C[C@H](C1)O MCULE-9757332081 [0,1,0,0,1,0|0,0,2]=4 3472 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,1,0,0,1,0|0,0,0]=2 3473 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,1,0,0,1,0|0,0,0]=2 3474 B6R1.5 NC1CC(C1)Br MCULE-1024702653 [0,1,0,0,1,0|1,0,1]=4 3475 B6R1.5 NC1CC(C1)Br MCULE-6956910745 [0,1,0,0,1,0|1,0,1]=4 3476 B6R1.5 NC1CC(C1)Cl MCULE-2079032271 [0,1,0,0,1,0|1,0,1]=4 3477 B6R1.5 NC1CC(C1)Cl MCULE-9907911910 [0,1,0,0,1,0|1,0,1]=4 3478 B6R1.5 NC1CC(C1)F MCULE-8668562856 [0,1,0,0,1,0|1,0,1]=4 3479 B6R1.5 NC1CC(C1)F MCULE-9413732351 [0,1,0,0,1,0|1,0,1]=4 3480 B6R1.5 NC1CC(C1)N MCULE-2499828215 [0,1,0,0,1,0|1,0,1]=4 3481 B6R1.5 NC1CC(C1)N MCULE-9585725038 [0,1,0,0,1,0|1,0,1]=4 3482 B6R1.5 NC1CC(C1)O MCULE-3800806511 [0,1,0,0,1,0|0,0,2]=4 3483 B6R1.5 NC1CC(C1)O MCULE-4101412744 [0,1,0,0,1,0|0,0,2]=4 3484 B6R1.5 NN1CC(C1)O MCULE-1883589988 [0,1,0,0,1,0|2,0,0]=4 3485 B6R1.5 NN1CC(C1)O MCULE-4736517920 [0,1,0,0,1,0|2,0,0]=4 3486 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-2563959776 [0,1,0,0,1,0|1,0,1]=4 3487 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-4159438704 [0,1,0,0,1,0|1,0,1]=4 3488 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-1693657713 [0,1,0,0,1,0|1,0,1]=4 3489 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-2842964955 [0,1,0,0,1,0|1,0,1]=4 3490 B6R1.5 N[C@H]1C[C@@H](C1)N MCULE-7371432215 [0,1,0,0,1,0|1,0,1]=4 3491 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-3690359453 [0,1,0,0,1,0|0,0,2]=4 3492 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-6031478808 [0,1,0,0,1,0|0,0,2]=4 3493 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-7248556800 [0,1,0,0,1,0|1,0,1]=4 3494 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-8169894230 [0,1,0,0,1,0|1,0,1]=4 3495 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-2358029728 [0,1,0,0,1,0|1,0,1]=4 3496 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-8703864989 [0,1,0,0,1,0|1,0,1]=4 3497 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2367486822 [0,1,0,0,1,0|0,0,2]=4 3498 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2477923057 [0,1,0,0,1,0|0,0,2]=4 3499 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [0,1,0,0,1,0|0,0,0]=2 3500 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [0,1,0,0,1,0|0,0,0]=2 3501 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,1,0,0,1,0|0,0,0]=2 3502 B6R1.5 OC1CC(C1)Br MCULE-8550195809 [0,1,0,0,1,0|0,0,2]=4 3503 B6R1.5 OC1CC(C1)F MCULE-7130501241 [0,1,0,0,1,0|0,0,2]=4 3504 B6R1.5 OC1CC(C1)O MCULE-4391504671 [0,1,0,0,1,0|0,0,2]=4 3505 B6R1.5 O[C@H]1C[C@@H](C1)F MCULE-8960643165 [0,1,0,0,1,0|0,0,2]=4 3506 B6R1.5 O[C@H]1C[C@@H](C1)O MCULE-5524471729 [0,1,0,0,1,0|0,0,2]=4 3507 B6R1.5 O[C@H]1C[C@H](C1)O MCULE-7725166436 [0,1,0,0,1,0|0,0,2]=4 3508 B6R1.5 [C@@H]1(C[C@@H](C1)N)N MCULE-6268630823 [0,1,0,0,1,0|1,0,1]=4 3509 B6R1.5 [C@@H]1(C[C@H](C1)F)O MCULE-5214761916 [0,1,0,0,1,0|0,0,2]=4 3510 B6R1.6 BrCC1CCC1 MCULE-6307620219 [0,1,0,0,1,0|1,0,1]=4 3511 B6R1.6 BrCC1CCO1 MCULE-8997197221 [0,1,0,0,1,0|1,0,1]=4 3512 B6R1.6 BrC[C@@H]1CCO1 MCULE-5332541596 [0,1,0,0,1,0|1,0,1]=4 3513 B6R1.6 BrC[C@H]1CCO1 MCULE-4327725094 [0,1,0,0,1,0|1,0,1]=4 3514 B6R1.6 BrC[C@H]1CCO1 MCULE-5319595119 [0,1,0,0,1,0|1,0,1]=4 3515 B6R1.6 C#CC1CCC1 MCULE-3076610847 [0,1,0,0,1,0|1,0,1]=4 3516 B6R1.6 C#CC1CCO1 MCULE-6571223458 [0,1,0,0,1,0|1,0,1]=4 3517 B6R1.6 CNC1CCC1 MCULE-1364608179 [0,1,0,0,1,0|1,0,1]=4 3518 B6R1.6 CNC1CCC1 MCULE-2951993315 [0,1,0,0,1,0|1,0,1]=4 3519 B6R1.6 ClCC1CCC1 MCULE-2464596839 [0,1,0,0,1,0|1,0,1]=4 3520 B6R1.6 ClCC1CCO1 MCULE-3809712491 [0,1,0,0,1,0|1,0,1]=4 3521 B6R1.6 ICC1CCC1 MCULE-7767711699 [0,1,0,0,1,0|1,0,1]=4 3522 B6R1.6 ICC1CCO1 MCULE-4132798336 [0,1,0,0,1,0|1,0,1]=4 3523 B6R1.6 N#CC1CCC1 MCULE-3335810526 [0,1,0,0,1,0|1,0,1]=4 3524 B6R1.6 NCC1CCC1 MCULE-4977602211 [0,1,0,0,1,0|1,0,1]=4 3525 B6R1.6 NCC1CCC1 MCULE-8434128112 [0,1,0,0,1,0|1,0,1]=4 3526 B6R1.6 NCC1CCO1 MCULE-4478591600 [0,1,0,0,1,0|1,0,1]=4 3527 B6R1.6 NC[C@@H]1CCO1 MCULE-2375359339 [0,1,0,0,1,0|1,0,1]=4 3528 B6R1.6 NC[C@@H]1CCO1 MCULE-4004256578 [0,1,0,0,1,0|1,0,1]=4 3529 B6R1.6 NC[C@H]1CCO1 MCULE-2811111103 [0,1,0,0,1,0|1,0,1]=4 3530 B6R1.6 NC[C@H]1CCO1 MCULE-4329808216 [0,1,0,0,1,0|1,0,1]=4 3531 B6R1.6 NC[C@H]1CCO1 MCULE-9974781002 [0,1,0,0,1,0|1,0,1]=4 3532 B6R1.6 NNC1CCC1 MCULE-2058855063 [0,1,0,0,1,0|1,0,1]=4 3533 B6R1.6 NNC1CCC1 MCULE-2355527907 [0,1,0,0,1,0|1,0,1]=4 3534 B6R1.6 NNC1CCC1 MCULE-7674249555 [0,1,0,0,1,0|1,0,1]=4 3535 B6R1.6 NOC1CCC1 MCULE-2140396646 [0,1,0,0,1,0|0,0,2]=4 3536 B6R1.6 NOC1CCC1 MCULE-9347173321 [0,1,0,0,1,0|0,0,2]=4 3537 B6R1.6 O=CC1CCC1 MCULE-8678026416 [0,1,0,0,1,0|0,0,1]=3 3538 B6R1.6 O=CC1COC1 MCULE-3773699476 [0,1,0,0,1,0|1,0,1]=4 3539 B6R1.6 O=CC1CSC1 MCULE-2648443908 [0,1,0,0,1,0|1,0,1]=4 3540 B6R1.6 OCC1CCC1 MCULE-3046613150 [0,1,0,0,1,0|0,0,2]=4 3541 B6R1.6 OCC1CCO1 MCULE-7120761203 [0,1,0,0,1,0|0,0,2]=4 3542 B6R1.6 OCC1CCO1 MCULE-7517577386 [0,1,0,0,1,0|0,0,2]=4 3543 B6R1.6 OC[C@@H]1CCO1 MCULE-7613449097 [0,1,0,0,1,0|0,0,2]=4 3544 B6R1.6 OC[C@@H]1CCO1 MCULE-9444003682 [0,1,0,0,1,0|0,0,2]=4 3545 B6R1.6 OC[C@H]1CCO1 MCULE-1446169257 [0,1,0,0,1,0|0,0,2]=4 3546 B6R1.6 OC[C@H]1CCO1 MCULE-2929052431 [0,1,0,0,1,0|0,0,2]=4 3547 B6R1.6 ON=C1CCC1 MCULE-4777625640 [0,1,0,0,1,0|0,0,1]=3 3548 B6R1.6 SCC1CCC1 MCULE-4083757063 [0,1,0,0,1,0|0,1,1]=4 3549 B6R1.10 CC1(CCC1)N MCULE-1932351179 [0,1,0,0,1,0|1,0,1]=4 3550 B6R1.10 CC1(CCC1)N MCULE-9177696302 [0,1,0,0,1,0|1,0,1]=4 3551 B6R1.10 CC1(CCC1)O MCULE-4021675717 [0,1,0,0,1,0|0,0,2]=4 3552 B6R1.10 C[Si]1(CCC1)C MCULE-9944003023 [0,1,0,0,1,0|1,1,0]=4 3553 B6R1.10 C[Si]1(CCC1)Cl MCULE-2261277636 [0,1,0,0,1,0|1,1,0]=4 3554 B6R1.10 Cl[Si]1(CCC1)Cl MCULE-2198954294 [0,1,0,0,1,0|1,1,0]=4 3555 B6R1.10 N=S1(=O)CCC1 MCULE-7690864417 [0,1,0,0,1,0|1,0,0]=3 3556 B6R1.10 O=S1(=O)CCC1 MCULE-7796411172 [0,1,0,0,1,0|1,0,0]=3 3557 B6R1.10 O=S1(=O)CCN1 MCULE-8786764000 [0,1,0,0,1,0|2,0,0]=4 3558 B8R1.2 BrC=C1CCCCC1 MCULE-1203677785 [0,1,0,0,0,1|2,0,0]=4 3559 B8R1.2 BrCC1=CCCCC1 MCULE-4196033923 [0,1,0,0,0,1|2,0,0]=4 3560 B8R1.2 BrCC1CCCCO1 MCULE-7555024882 [0,1,0,0,0,1|1,0,1]=4 3561 B8R1.2 BrCC1CCCOC1 MCULE-8233955986 [0,1,0,0,0,1|1,0,1]=4 3562 B8R1.2 BrCC1CCOCO1 MCULE-1621211624 [0,1,0,0,0,1|1,0,1]=4 3563 B8R1.2 BrCC1CNCCO1 MCULE-4182788522 [0,1,0,0,0,1|1,0,1]=4 3564 B8R1.2 BrCC1CNCCO1 MCULE-4827459875 [0,1,0,0,0,1|1,0,1]=4 3565 B8R1.2 BrCC1COCCO1 MCULE-5294427682 [0,1,0,0,0,1|1,0,1]=4 3566 B8R1.2 BrC[C@@H]1COCCO1 MCULE-4849633409 [0,1,0,0,0,1|1,0,1]=4 3567 B8R1.2 BrC[C@H]1CCCOC1 MCULE-4617251201 [0,1,0,0,0,1|1,0,1]=4 3568 B8R1.2 C#CC1=CCCCC1 MCULE-2729587527 [0,1,0,0,0,1|2,0,0]=4 3569 B8R1.2 C#CC1CCCCO1 MCULE-3115070208 [0,1,0,0,0,1|1,0,1]=4 3570 B8R1.2 C#CC1CCCOC1 MCULE-3580388819 [0,1,0,0,0,1|1,0,1]=4 3571 B8R1.2 C#CC1CNCCO1 MCULE-5920372974 [0,1,0,0,0,1|1,0,1]=4 3572 B8R1.2 C/N=C\1/[NH2+]CCCS1 MCULE-7599934566 [0,1,0,0,0,1|1,1,0]=4 3573 B8R1.2 C1(CCCCO1)CC MCULE-5189391029 [0,1,0,0,0,1|1,0,1]=4 3574 B8R1.2 C1(CCCOC1)CN MCULE-9009856435 [0,1,0,0,0,1|1,0,1]=4 3575 B8R1.2 C1(COCCO1)CN MCULE-3098204775 [0,1,0,0,0,1|1,0,1]=4 3576 B8R1.2 C1(COCCO1)CN MCULE-7024108523 [0,1,0,0,0,1|1,0,1]=4 3577 B8R1.2 CC=C1CCCCC1 MCULE-6327883518 [0,1,0,0,0,1|2,0,0]=4 3578 B8R1.2 CCC1=NCCCC1 MCULE-5828184755 [0,1,0,0,0,1|2,0,0]=4 3579 B8R1.2 CCC1CNCCO1 MCULE-1491754999 [0,1,0,0,0,1|1,0,1]=4 3580 B8R1.2 CCC1CNCCO1 MCULE-2804411387 [0,1,0,0,0,1|1,0,1]=4 3581 B8R1.2 CC[C@@H]1CNCCO1 MCULE-5576287129 [0,1,0,0,0,1|1,0,1]=4 3582 B8R1.2 CC[C@@H]1CNCCO1 MCULE-7329824991 [0,1,0,0,0,1|1,0,1]=4 3583 B8R1.2 CC[C@H]1CNCCO1 MCULE-1213088635 [0,1,0,0,0,1|1,0,1]=4 3584 B8R1.2 CC[C@H]1CNCCO1 MCULE-1732774154 [0,1,0,0,0,1|1,0,1]=4 3585 B8R1.2 CC[C@H]1CNCCO1 MCULE-2604595853 [0,1,0,0,0,1|1,0,1]=4 3586 B8R1.2 CC[C@H]1CNCCO1 MCULE-6508226283 [0,1,0,0,0,1|1,0,1]=4 3587 B8R1.2 CNC1CCCOC1 MCULE-5347484719 [0,1,0,0,0,1|1,0,1]=4 3588 B8R1.2 CNC1CCCOC1 MCULE-9684329786 [0,1,0,0,0,1|1,0,1]=4 3589 B8R1.2 CN[C@@H]1CCCOC1 MCULE-4540841602 [0,1,0,0,0,1|1,0,1]=4 3590 B8R1.2 CN[C@@H]1CCCOC1 MCULE-6421899072 [0,1,0,0,0,1|1,0,1]=4 3591 B8R1.2 CN[C@H]1CCCOC1 MCULE-2085945812 [0,1,0,0,0,1|1,0,1]=4 3592 B8R1.2 CN[C@H]1CCCOC1 MCULE-3537766000 [0,1,0,0,0,1|1,0,1]=4 3593 B8R1.2 COC1=CCCCC1 MCULE-9079372045 [0,1,0,0,0,1|1,0,1]=4 3594 B8R1.2 COC1=CCOCC1 MCULE-8337045524 [0,1,0,0,0,1|1,0,1]=4 3595 B8R1.2 COC1=NCCCC1 MCULE-3080988027 [0,1,0,0,0,1|1,0,1]=4 3596 B8R1.2 COC1=NCCOC1 MCULE-6346383497 [0,1,0,0,0,1|1,0,1]=4 3597 B8R1.2 COC1CCCCO1 MCULE-5586923898 [0,1,0,0,0,1|0,0,2]=4 3598 B8R1.2 COC1CNCCO1 MCULE-4273991787 [0,1,0,0,0,1|0,0,2]=4 3599 B8R1.2 COP1OCCCO1 MCULE-2903353416 [0,1,0,0,0,1|1,0,1]=4 3600 B8R1.2 CSC1=NCCCN1 MCULE-4252949660 [0,1,0,0,0,1|1,1,0]=4 3601 B8R1.2 CSC1=NCCCN1 MCULE-4367422216 [0,1,0,0,0,1|1,1,0]=4 3602 B8R1.2 CSC1=NCCCN1 MCULE-7320602045 [0,1,0,0,0,1|1,1,0]=4 3603 B8R1.2 CSC1=NCCCS1 MCULE-6353934403 [0,1,0,0,0,1|0,2,0]=4 3604 B8R1.2 CSC1=NCCSC1 MCULE-1243311765 [0,1,0,0,0,1|1,1,0]=4 3605 B8R1.2 ClCC1CCCCO1 MCULE-7493119643 [0,1,0,0,0,1|1,0,1]=4 3606 B8R1.2 ClCC1CCCOC1 MCULE-8502008950 [0,1,0,0,0,1|1,0,1]=4 3607 B8R1.2 ClCC1CCOCO1 MCULE-9757657411 [0,1,0,0,0,1|1,0,1]=4 3608 B8R1.2 ClCC1CNCCO1 MCULE-6977459966 [0,1,0,0,0,1|1,0,1]=4 3609 B8R1.2 ClCC1CNCCO1 MCULE-7633503523 [0,1,0,0,0,1|1,0,1]=4 3610 B8R1.2 ClCC1COCCO1 MCULE-5491048081 [0,1,0,0,0,1|1,0,1]=4 3611 B8R1.2 ClCC1OCCCO1 MCULE-7396357867 [0,1,0,0,0,1|1,0,1]=4 3612 B8R1.2 ClC[C@@H]1CNCCO1 MCULE-8134652552 [0,1,0,0,0,1|1,0,1]=4 3613 B8R1.2 ClC[C@H]1CNCCO1 MCULE-4491372571 [0,1,0,0,0,1|1,0,1]=4 3614 B8R1.2 ClN=C1CCCCC1 MCULE-6786339883 [0,1,0,0,0,1|2,0,0]=4 3615 B8R1.2 FCC1CNCCO1 MCULE-1442465580 [0,1,0,0,0,1|1,0,1]=4 3616 B8R1.2 FCC1CNCCO1 MCULE-9755393279 [0,1,0,0,0,1|1,0,1]=4 3617 B8R1.2 IC=C1CCCCC1 MCULE-9165742833 [0,1,0,0,0,1|2,0,0]=4 3618 B8R1.2 ICC1CCCCO1 MCULE-4630701067 [0,1,0,0,0,1|1,0,1]=4 3619 B8R1.2 ICC1CCCOC1 MCULE-7706519514 [0,1,0,0,0,1|1,0,1]=4 3620 B8R1.2 ICC1COCCO1 MCULE-1992463610 [0,1,0,0,0,1|1,0,1]=4 3621 B8R1.2 N#CC1=CCCCC1 MCULE-7215745635 [0,1,0,0,0,1|2,0,0]=4 3622 B8R1.2 N#CC1=CCCCO1 MCULE-5646992777 [0,1,0,0,0,1|1,0,0]=3 3623 B8R1.2 N#CC1=CCNCC1 MCULE-2620119006 [0,1,0,0,0,1|2,0,0]=4 3624 B8R1.2 N#CC1=CCNCC1 MCULE-3274888010 [0,1,0,0,0,1|2,0,0]=4 3625 B8R1.2 N#CC1=CCOCC1 MCULE-6283793140 [0,1,0,0,0,1|2,0,0]=4 3626 B8R1.2 N#CC1=COCCO1 MCULE-5964511526 [0,1,0,0,0,1|1,0,1]=4 3627 B8R1.2 N#CC1CCCCO1 MCULE-3506953632 [0,1,0,0,0,1|1,0,1]=4 3628 B8R1.2 N#CC1CCCOC1 MCULE-2931796321 [0,1,0,0,0,1|1,0,1]=4 3629 B8R1.2 N#CC1CNCCO1 MCULE-4550543456 [0,1,0,0,0,1|1,0,1]=4 3630 B8R1.2 N#CC1CNCCO1 MCULE-6560196862 [0,1,0,0,0,1|1,0,1]=4 3631 B8R1.2 N#CC1COCCO1 MCULE-2295478591 [0,1,0,0,0,1|1,0,1]=4 3632 B8R1.2 N#C[C@@H]1CNCCO1 MCULE-1210885105 [0,1,0,0,0,1|1,0,1]=4 3633 B8R1.2 N#C[C@@H]1CNCCO1 MCULE-1702118123 [0,1,0,0,0,1|1,0,1]=4 3634 B8R1.2 N#C[C@H]1CNCCO1 MCULE-7284312056 [0,1,0,0,0,1|1,0,1]=4 3635 B8R1.2 N#C[C@H]1CNCCO1 MCULE-7835414987 [0,1,0,0,0,1|1,0,1]=4 3636 B8R1.2 N#C[C@H]1CNCCO1 MCULE-8434238785 [0,1,0,0,0,1|1,0,1]=4 3637 B8R1.2 N#C[C@H]1CNCCO1 MCULE-9489364726 [0,1,0,0,0,1|1,0,1]=4 3638 B8R1.2 NCC1=CCCCC1 MCULE-3951635533 [0,1,0,0,0,1|2,0,0]=4 3639 B8R1.2 NCC1=CCCCC1 MCULE-4923330324 [0,1,0,0,0,1|2,0,0]=4 3640 B8R1.2 NCC1=CCCOC1 MCULE-1828364688 [0,1,0,0,0,1|1,0,1]=4 3641 B8R1.2 NCC1=CCCOC1 MCULE-8439895783 [0,1,0,0,0,1|1,0,1]=4 3642 B8R1.2 NCC1=CCOCC1 MCULE-5018009136 [0,1,0,0,0,1|2,0,0]=4 3643 B8R1.2 NCC1=CCOCC1 MCULE-6920828049 [0,1,0,0,0,1|2,0,0]=4 3644 B8R1.2 NCC1=NCCCN1 MCULE-3240095476 [0,1,0,0,0,1|2,0,0]=4 3645 B8R1.2 NCC1=NCCCN1 MCULE-7557068134 [0,1,0,0,0,1|2,0,0]=4 3646 B8R1.2 NCC1CCCCO1 MCULE-2644735894 [0,1,0,0,0,1|1,0,1]=4 3647 B8R1.2 NCC1CCCCO1 MCULE-5042678896 [0,1,0,0,0,1|1,0,1]=4 3648 B8R1.2 NCC1CCCOC1 MCULE-2859652493 [0,1,0,0,0,1|1,0,1]=4 3649 B8R1.2 NCC1CCCOC1 MCULE-5411442728 [0,1,0,0,0,1|1,0,1]=4 3650 B8R1.2 NCC1CCCOC1 MCULE-6616131288 [0,1,0,0,0,1|1,0,1]=4 3651 B8R1.2 NCC1CCCOC1 MCULE-9893994601 [0,1,0,0,0,1|1,0,1]=4 3652 B8R1.2 NCC1CNCCO1 MCULE-4362254656 [0,1,0,0,0,1|1,0,1]=4 3653 B8R1.2 NCC1CNCCO1 MCULE-9062864656 [0,1,0,0,0,1|1,0,1]=4 3654 B8R1.2 NCC1COCCO1 MCULE-1612004893 [0,1,0,0,0,1|1,0,1]=4 3655 B8R1.2 NCC1COCCO1 MCULE-9278150730 [0,1,0,0,0,1|1,0,1]=4 3656 B8R1.2 NCC1OCCCO1 MCULE-8138335107 [0,1,0,0,0,1|1,0,1]=4 3657 B8R1.2 NC[C@@H]1CCCCO1 MCULE-1435985280 [0,1,0,0,0,1|1,0,1]=4 3658 B8R1.2 NC[C@@H]1CCCCO1 MCULE-4778440271 [0,1,0,0,0,1|1,0,1]=4 3659 B8R1.2 NC[C@@H]1CCCCO1 MCULE-6014338525 [0,1,0,0,0,1|1,0,1]=4 3660 B8R1.2 NC[C@@H]1CCCCO1 MCULE-9488694680 [0,1,0,0,0,1|1,0,1]=4 3661 B8R1.2 NC[C@@H]1CCCOC1 MCULE-5314997557 [0,1,0,0,0,1|1,0,1]=4 3662 B8R1.2 NC[C@@H]1CCCOC1 MCULE-5553412637 [0,1,0,0,0,1|1,0,1]=4 3663 B8R1.2 NC[C@@H]1CCCOC1 MCULE-6349833867 [0,1,0,0,0,1|1,0,1]=4 3664 B8R1.2 NC[C@@H]1CCCOC1 MCULE-6463109886 [0,1,0,0,0,1|1,0,1]=4 3665 B8R1.2 NC[C@@H]1COCCO1 MCULE-2337005422 [0,1,0,0,0,1|1,0,1]=4 3666 B8R1.2 NC[C@@H]1COCCO1 MCULE-5052227155 [0,1,0,0,0,1|1,0,1]=4 3667 B8R1.2 NC[C@@H]1COCCO1 MCULE-5182478394 [0,1,0,0,0,1|1,0,1]=4 3668 B8R1.2 NC[C@@H]1COCCO1 MCULE-9731790782 [0,1,0,0,0,1|1,0,1]=4 3669 B8R1.2 NC[C@H]1CCCCO1 MCULE-2835389541 [0,1,0,0,0,1|1,0,1]=4 3670 B8R1.2 NC[C@H]1CCCCO1 MCULE-4500797236 [0,1,0,0,0,1|1,0,1]=4 3671 B8R1.2 NC[C@H]1CCCCO1 MCULE-5990717573 [0,1,0,0,0,1|1,0,1]=4 3672 B8R1.2 NC[C@H]1CCCCO1 MCULE-7362278601 [0,1,0,0,0,1|1,0,1]=4 3673 B8R1.2 NC[C@H]1CCCOC1 MCULE-1996808023 [0,1,0,0,0,1|1,0,1]=4 3674 B8R1.2 NC[C@H]1CCCOC1 MCULE-8044635428 [0,1,0,0,0,1|1,0,1]=4 3675 B8R1.2 NC[C@H]1CCCOC1 MCULE-8246511133 [0,1,0,0,0,1|1,0,1]=4 3676 B8R1.2 NC[C@H]1CCCOC1 MCULE-8378816563 [0,1,0,0,0,1|1,0,1]=4 3677 B8R1.2 NC[C@H]1COCCO1 MCULE-1148680339 [0,1,0,0,0,1|1,0,1]=4 3678 B8R1.2 NC[C@H]1COCCO1 MCULE-6244775356 [0,1,0,0,0,1|1,0,1]=4 3679 B8R1.2 NC[C@H]1COCCO1 MCULE-6383517047 [0,1,0,0,0,1|1,0,1]=4 3680 B8R1.2 NC[C@H]1COCCO1 MCULE-9768281737 [0,1,0,0,0,1|1,0,1]=4 3681 B8R1.2 NNC1=NCCCN1 MCULE-4756445413 [0,1,0,0,0,1|2,0,0]=4 3682 B8R1.2 NNC1=NCCCN1 MCULE-9343792606 [0,1,0,0,0,1|2,0,0]=4 3683 B8R1.2 NNC1=NCCCN1 MCULE-9369072019 [0,1,0,0,0,1|2,0,0]=4 3684 B8R1.2 NNC1CCCOC1 MCULE-3363963508 [0,1,0,0,0,1|1,0,1]=4 3685 B8R1.2 NNC1CCCOC1 MCULE-4328194619 [0,1,0,0,0,1|1,0,1]=4 3686 B8R1.2 NNC1CCCOC1 MCULE-6284470956 [0,1,0,0,0,1|1,0,1]=4 3687 B8R1.2 NN[C@H]1CCCOC1 MCULE-1777058599 [0,1,0,0,0,1|1,0,1]=4 3688 B8R1.2 NN[C@H]1CCCOC1 MCULE-4593180841 [0,1,0,0,0,1|1,0,1]=4 3689 B8R1.2 NOC1CCCCO1 MCULE-2818785498 [0,1,0,0,0,1|0,0,2]=4 3690 B8R1.2 O=CC1=CCCCC1 MCULE-6209420256 [0,1,0,0,0,1|1,0,0]=3 3691 B8R1.2 O=CC1=CCCOC1 MCULE-5495935874 [0,1,0,0,0,1|0,0,1]=3 3692 B8R1.2 O=CC1=CCCSC1 MCULE-9611960845 [0,1,0,0,0,1|1,0,0]=3 3693 B8R1.2 O=CC1=COCCC1 MCULE-5246467858 [0,1,0,0,0,1|0,0,0]=2 3694 B8R1.2 O=CC1=COCCO1 MCULE-4502742368 [0,1,0,0,0,1|0,0,1]=3 3695 B8R1.2 O=CC1C=CCCC1 MCULE-7360804121 [0,1,0,0,0,1|1,0,1]=4 3696 B8R1.2 O=CC1CCC=CO1 MCULE-1271711654 [0,1,0,0,0,1|0,0,2]=4 3697 B8R1.2 O=CC1CCCCC1 MCULE-7345097178 [0,1,0,0,0,1|1,0,1]=4 3698 B8R1.2 O=CC1CCCCN1 MCULE-7681438476 [0,1,0,0,0,1|1,0,1]=4 3699 B8R1.2 O=CC1CCCCN1 MCULE-9370686295 [0,1,0,0,0,1|1,0,1]=4 3700 B8R1.2 O=CC1CCCCO1 MCULE-6497412510 [0,1,0,0,0,1|0,0,1]=3 3701 B8R1.2 O=CC1CCCNC1 MCULE-4037480911 [0,1,0,0,0,1|1,0,1]=4 3702 B8R1.2 O=CC1CCCNC1 MCULE-9205787069 [0,1,0,0,0,1|1,0,1]=4 3703 B8R1.2 O=CC1CCCOC1 MCULE-6841728518 [0,1,0,0,0,1|0,0,1]=3 3704 B8R1.2 O=CC1CCCSC1 MCULE-8369808876 [0,1,0,0,0,1|0,1,1]=4 3705 B8R1.2 O=CC1CCNCC1 MCULE-3856245073 [0,1,0,0,0,1|1,0,1]=4 3706 B8R1.2 O=CC1CCNCC1 MCULE-8439609130 [0,1,0,0,0,1|1,0,1]=4 3707 B8R1.2 O=CC1CCOCC1 MCULE-6884786677 [0,1,0,0,0,1|1,0,1]=4 3708 B8R1.2 O=CC1CCSCC1 MCULE-4728594373 [0,1,0,0,0,1|1,0,1]=4 3709 B8R1.2 O=CC1COCCO1 MCULE-3817488986 [0,1,0,0,0,1|0,0,1]=3 3710 B8R1.2 O=CN1CCCCC1 MCULE-3028605826 [0,1,0,0,0,1|2,0,0]=4 3711 B8R1.2 O=CN1CCNCC1 MCULE-8359044100 [0,1,0,0,0,1|2,0,0]=4 3712 B8R1.2 O=CN1CCOCC1 MCULE-2465964585 [0,1,0,0,0,1|2,0,0]=4 3713 B8R1.2 O=C[C@@H]1CCC=CO1 MCULE-1864295712 [0,1,0,0,0,1|0,0,2]=4 3714 B8R1.2 O=NN1CCCCC1 MCULE-6180064865 [0,1,0,0,0,1|2,0,0]=4 3715 B8R1.2 O=NN1CCNCC1 MCULE-7259290085 [0,1,0,0,0,1|2,0,0]=4 3716 B8R1.2 O=NN1CCOCC1 MCULE-8445460226 [0,1,0,0,0,1|2,0,0]=4 3717 B8R1.2 OCC1=CCCCC1 MCULE-2422738199 [0,1,0,0,0,1|1,0,1]=4 3718 B8R1.2 OCC1=CCCCO1 MCULE-1995059172 [0,1,0,0,0,1|0,0,1]=3 3719 B8R1.2 OCC1=CCCOC1 MCULE-5407184933 [0,1,0,0,0,1|0,0,2]=4 3720 B8R1.2 OCC1=CCOCC1 MCULE-6666473990 [0,1,0,0,0,1|1,0,1]=4 3721 B8R1.2 OCC1=NOCCC1 MCULE-7754725295 [0,1,0,0,0,1|0,0,1]=3 3722 B8R1.2 OCC1CCCCO1 MCULE-2390789074 [0,1,0,0,0,1|0,0,2]=4 3723 B8R1.2 OCC1CCCCO1 MCULE-7483291767 [0,1,0,0,0,1|0,0,2]=4 3724 B8R1.2 OCC1CCCOC1 MCULE-6464024960 [0,1,0,0,0,1|0,0,2]=4 3725 B8R1.2 OCC1CCCOC1 MCULE-9624599290 [0,1,0,0,0,1|0,0,2]=4 3726 B8R1.2 OCC1CCNCO1 MCULE-2495139428 [0,1,0,0,0,1|0,0,2]=4 3727 B8R1.2 OCC1CCNCO1 MCULE-8567556837 [0,1,0,0,0,1|0,0,2]=4 3728 B8R1.2 OCC1CCOCO1 MCULE-2733488185 [0,1,0,0,0,1|0,0,2]=4 3729 B8R1.2 OCC1CNCCO1 MCULE-1938288280 [0,1,0,0,0,1|0,0,2]=4 3730 B8R1.2 OCC1CNCCO1 MCULE-7041892647 [0,1,0,0,0,1|0,0,2]=4 3731 B8R1.2 OCC1CNCCO1 MCULE-8873542150 [0,1,0,0,0,1|0,0,2]=4 3732 B8R1.2 OCC1CNCCO1 MCULE-9279337391 [0,1,0,0,0,1|0,0,2]=4 3733 B8R1.2 OCC1COCCO1 MCULE-3788845525 [0,1,0,0,0,1|0,0,2]=4 3734 B8R1.2 OCC1COCCO1 MCULE-5558091087 [0,1,0,0,0,1|0,0,2]=4 3735 B8R1.2 OCC1OCCCO1 MCULE-6150110813 [0,1,0,0,0,1|0,0,2]=4 3736 B8R1.2 OC[C@@H]1CCCCO1 MCULE-5978396739 [0,1,0,0,0,1|0,0,2]=4 3737 B8R1.2 OC[C@@H]1CCCCO1 MCULE-8715909099 [0,1,0,0,0,1|0,0,2]=4 3738 B8R1.2 OC[C@@H]1CCCOC1 MCULE-5580637299 [0,1,0,0,0,1|0,0,2]=4 3739 B8R1.2 OC[C@@H]1CCCOC1 MCULE-9673827278 [0,1,0,0,0,1|0,0,2]=4 3740 B8R1.2 OC[C@@H]1CNCCO1 MCULE-5428209505 [0,1,0,0,0,1|0,0,2]=4 3741 B8R1.2 OC[C@@H]1CNCCO1 MCULE-6006812099 [0,1,0,0,0,1|0,0,2]=4 3742 B8R1.2 OC[C@@H]1CNCCO1 MCULE-6118730357 [0,1,0,0,0,1|0,0,2]=4 3743 B8R1.2 OC[C@@H]1CNCCO1 MCULE-9753568594 [0,1,0,0,0,1|0,0,2]=4 3744 B8R1.2 OC[C@@H]1COCCO1 MCULE-5847134890 [0,1,0,0,0,1|0,0,2]=4 3745 B8R1.2 OC[C@@H]1COCCO1 MCULE-6096501847 [0,1,0,0,0,1|0,0,2]=4 3746 B8R1.2 OC[C@H]1CCCCO1 MCULE-4700719427 [0,1,0,0,0,1|0,0,2]=4 3747 B8R1.2 OC[C@H]1CCCCO1 MCULE-7990169259 [0,1,0,0,0,1|0,0,2]=4 3748 B8R1.2 OC[C@H]1CCCOC1 MCULE-8066618329 [0,1,0,0,0,1|0,0,2]=4 3749 B8R1.2 OC[C@H]1CCCOC1 MCULE-8831105119 [0,1,0,0,0,1|0,0,2]=4 3750 B8R1.2 OC[C@H]1CNCCO1 MCULE-2083087681 [0,1,0,0,0,1|0,0,2]=4 3751 B8R1.2 OC[C@H]1CNCCO1 MCULE-2399844881 [0,1,0,0,0,1|0,0,2]=4 3752 B8R1.2 OC[C@H]1CNCCO1 MCULE-5372536833 [0,1,0,0,0,1|0,0,2]=4 3753 B8R1.2 OC[C@H]1CNCCO1 MCULE-9994722027 [0,1,0,0,0,1|0,0,2]=4 3754 B8R1.2 OC[C@H]1COCCO1 MCULE-1373070349 [0,1,0,0,0,1|0,0,2]=4 3755 B8R1.2 OC[C@H]1COCCO1 MCULE-9271539014 [0,1,0,0,0,1|0,0,2]=4 3756 B8R1.2 ON=C1CCCCC1 MCULE-4628080057 [0,1,0,0,0,1|1,0,1]=4 3757 B8R1.2 ON=C1CCOCC1 MCULE-4298814584 [0,1,0,0,0,1|1,0,1]=4 3758 B8R1.2 ON=C1CCSCC1 MCULE-4883904053 [0,1,0,0,0,1|1,0,1]=4 3759 B8R1.2 SCC1CCCOC1 MCULE-1197721149 [0,1,0,0,0,1|0,1,1]=4 3760 B8R1.3 C1(CNC(=O)CN1)C MCULE-9891046463 [0,1,0,0,0,1|1,0,0]=3 3761 B8R1.3 C=C1CCC(=O)CC1 MCULE-8766071389 [0,1,0,0,0,1|1,0,0]=3 3762 B8R1.3 C=C1CCC(CC1)C MCULE-8335929583 [0,1,0,0,0,1|2,0,0]=4 3763 B8R1.3 C=C1CCC(CC1)N MCULE-3488509161 [0,1,0,0,0,1|2,0,0]=4 3764 B8R1.3 C=C1CCC(CC1)N MCULE-4928995581 [0,1,0,0,0,1|2,0,0]=4 3765 B8R1.3 C=C1CCN(CC1)C MCULE-8616538841 [0,1,0,0,0,1|2,0,0]=4 3766 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,1,0,0,0,1|1,0,1]=4 3767 B8R1.3 CC1=CCC(CC1)N MCULE-2698586518 [0,1,0,0,0,1|2,0,0]=4 3768 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,1,0,0,0,1|1,0,1]=4 3769 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [0,1,0,0,0,1|1,0,0]=3 3770 B8R1.3 CC1CC=C(CC1)Cl MCULE-9255462781 [0,1,0,0,0,1|2,0,0]=4 3771 B8R1.3 CC1CCC(=O)CC1 MCULE-5534475096 [0,1,0,0,0,1|1,0,0]=3 3772 B8R1.3 CC1CCC(=O)CC1 MCULE-9038467737 [0,1,0,0,0,1|1,0,0]=3 3773 B8R1.3 CC1CCC(=O)CN1 MCULE-1285022466 [0,1,0,0,0,1|1,0,0]=3 3774 B8R1.3 CC1CCC(=O)CN1 MCULE-9314433387 [0,1,0,0,0,1|1,0,0]=3 3775 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,1,0,0,0,1|0,0,0]=2 3776 B8R1.3 CC1CCC(=O)CS1 MCULE-9188619559 [0,1,0,0,0,1|0,1,0]=3 3777 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [0,1,0,0,0,1|1,0,0]=3 3778 B8R1.3 CC1CCC(CO1)O MCULE-8416383333 [0,1,0,0,0,1|0,0,2]=4 3779 B8R1.3 CC1CNC(=O)CN1 MCULE-2050820306 [0,1,0,0,0,1|1,0,0]=3 3780 B8R1.3 CC1CNC(=O)CN1 MCULE-9509469557 [0,1,0,0,0,1|1,0,0]=3 3781 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,1,0,0,0,1|1,0,0]=3 3782 B8R1.3 CC1COC(=O)OC1 MCULE-6795228051 [0,1,0,0,0,1|0,0,0]=2 3783 B8R1.3 CC1COC(CN1)C MCULE-4975068364 [0,1,0,0,0,1|1,0,1]=4 3784 B8R1.3 CC1COC(CN1)C MCULE-6443209935 [0,1,0,0,0,1|1,0,1]=4 3785 B8R1.3 CN1CC=C(CC1)Br MCULE-7803632839 [0,1,0,0,0,1|2,0,0]=4 3786 B8R1.3 CN1CC=C(CC1)Br MCULE-9568791028 [0,1,0,0,0,1|2,0,0]=4 3787 B8R1.3 CN1CCC(=O)CC1 MCULE-3370577555 [0,1,0,0,0,1|1,0,0]=3 3788 B8R1.3 CN1CCC(=O)CC1 MCULE-5364011649 [0,1,0,0,0,1|1,0,0]=3 3789 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-4693797730 [0,1,0,0,0,1|1,0,0]=3 3790 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-5991774380 [0,1,0,0,0,1|1,0,0]=3 3791 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-6484213897 [0,1,0,0,0,1|1,0,0]=3 3792 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-7346191190 [0,1,0,0,0,1|1,0,0]=3 3793 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1088991552 [0,1,0,0,0,1|1,0,0]=3 3794 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1952714815 [0,1,0,0,0,1|1,0,0]=3 3795 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-3350871833 [0,1,0,0,0,1|1,0,0]=3 3796 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-9637742350 [0,1,0,0,0,1|1,0,0]=3 3797 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,1,0,0,0,1|1,0,0]=3 3798 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,1,0,0,0,1|1,0,0]=3 3799 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1103945502 [0,1,0,0,0,1|1,0,1]=4 3800 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1391537108 [0,1,0,0,0,1|1,0,1]=4 3801 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1946095385 [0,1,0,0,0,1|1,0,1]=4 3802 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-4549349129 [0,1,0,0,0,1|1,0,1]=4 3803 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-6334939841 [0,1,0,0,0,1|1,0,0]=3 3804 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-8476307649 [0,1,0,0,0,1|1,0,0]=3 3805 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [0,1,0,0,0,1|1,0,0]=3 3806 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-3373819559 [0,1,0,0,0,1|1,0,0]=3 3807 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-4486681671 [0,1,0,0,0,1|1,0,0]=3 3808 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-7180229103 [0,1,0,0,0,1|1,0,0]=3 3809 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-9466864223 [0,1,0,0,0,1|1,0,0]=3 3810 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,1,0,0,0,1|1,0,0]=3 3811 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,1,0,0,0,1|1,0,0]=3 3812 B8R1.3 C[C@H]1CN[C@@H](CO1)C MCULE-4621250808 [0,1,0,0,0,1|1,0,1]=4 3813 B8R1.3 C[C@H]1CN[C@@H](CO1)C MCULE-7331563103 [0,1,0,0,0,1|1,0,1]=4 3814 B8R1.3 C[C@H]1CO[C@@H](CN1)C MCULE-5045303209 [0,1,0,0,0,1|1,0,1]=4 3815 B8R1.3 C[C@H]1CO[C@@H](CN1)C MCULE-8352332219 [0,1,0,0,0,1|1,0,1]=4 3816 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-1410633938 [0,1,0,0,0,1|1,0,1]=4 3817 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-1498993915 [0,1,0,0,0,1|1,0,1]=4 3818 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-3545205619 [0,1,0,0,0,1|1,0,1]=4 3819 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-5064602423 [0,1,0,0,0,1|1,0,1]=4 3820 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-5773597642 [0,1,0,0,0,1|1,0,1]=4 3821 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-6073716335 [0,1,0,0,0,1|1,0,1]=4 3822 B8R1.3 NC1=NCC(CN1)O MCULE-3531969759 [0,1,0,0,0,1|2,0,0]=4 3823 B8R1.3 NC1CC=C(CC1)F MCULE-2544035375 [0,1,0,0,0,1|2,0,0]=4 3824 B8R1.3 NC1CC=C(CC1)F MCULE-8564869491 [0,1,0,0,0,1|2,0,0]=4 3825 B8R1.3 NC1CCC(=O)CC1 MCULE-5825363145 [0,1,0,0,0,1|1,0,0]=3 3826 B8R1.3 NC1CCC(=O)CC1 MCULE-6212878324 [0,1,0,0,0,1|1,0,0]=3 3827 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [0,1,0,0,0,1|1,0,0]=3 3828 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [0,1,0,0,0,1|1,0,0]=3 3829 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [0,1,0,0,0,1|1,0,0]=3 3830 B8R1.3 NC1CCS(=O)CC1 MCULE-3451996362 [0,1,0,0,0,1|2,0,0]=4 3831 B8R1.3 NC1CCS(=O)CC1 MCULE-4019175019 [0,1,0,0,0,1|2,0,0]=4 3832 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [0,1,0,0,0,1|1,0,0]=3 3833 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [0,1,0,0,0,1|1,0,0]=3 3834 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [0,1,0,0,0,1|1,0,0]=3 3835 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [0,1,0,0,0,1|1,0,0]=3 3836 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [0,1,0,0,0,1|1,0,0]=3 3837 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [0,1,0,0,0,1|1,0,0]=3 3838 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [0,1,0,0,0,1|1,0,0]=3 3839 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [0,1,0,0,0,1|1,0,0]=3 3840 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [0,1,0,0,0,1|1,0,0]=3 3841 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [0,1,0,0,0,1|1,0,0]=3 3842 B8R1.3 O=C1C=CC(OC1)O MCULE-1206409270 [0,1,0,0,0,1|0,0,2]=4 3843 B8R1.3 O=C1CCC(=O)CC1 MCULE-5432049567 [0,1,0,0,0,1|1,0,0]=3 3844 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [0,1,0,0,0,1|1,0,0]=3 3845 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [0,1,0,0,0,1|1,0,1]=4 3846 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,1,0,0,0,1|0,0,0]=2 3847 B8R1.3 O=C1CCC(CC1)Br MCULE-1177789896 [0,1,0,0,0,1|1,0,0]=3 3848 B8R1.3 O=C1CCC(CC1)Cl MCULE-3647406761 [0,1,0,0,0,1|1,0,0]=3 3849 B8R1.3 O=C1CCC(CC1)F MCULE-5757540710 [0,1,0,0,0,1|1,0,0]=3 3850 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,1,0,0,0,1|1,0,0]=3 3851 B8R1.3 O=C1CCC(CN1)F MCULE-1848493447 [0,1,0,0,0,1|1,0,0]=3 3852 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,1,0,0,0,1|1,0,0]=3 3853 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,1,0,0,0,1|0,0,0]=2 3854 B8R1.3 O=C1CCS(=O)CC1 MCULE-5385870019 [0,1,0,0,0,1|1,0,0]=3 3855 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,1,0,0,0,1|1,0,0]=3 3856 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,1,0,0,0,1|1,0,0]=3 3857 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,1,0,0,0,1|1,0,0]=3 3858 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,1,0,0,0,1|1,0,0]=3 3859 B8R1.3 O=C1CNC(=O)CN1 MCULE-7134033861 [0,1,0,0,0,1|1,0,1]=4 3860 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,1,0,0,0,1|0,0,1]=3 3861 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,1,0,0,0,1|0,0,1]=3 3862 B8R1.3 O=C1NCC(CN1)O MCULE-7019603243 [0,1,0,0,0,1|1,0,0]=3 3863 B8R1.3 O=S1CCC(CC1)O MCULE-7693506009 [0,1,0,0,0,1|2,0,0]=4 3864 B8R1.3 OC1COC(CO1)O MCULE-6794444946 [0,1,0,0,0,1|0,0,2]=4 3865 B8R1.3 [C@@H]1(CN[C@@H](CO1)C)C MCULE-3712952908 [0,1,0,0,0,1|1,0,1]=4 3866 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,1,0,0,0,1|1,0,0]=3 3867 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,1,0,0,0,1|1,0,0]=3 3868 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,1,0,0,0,1|1,0,0]=3 3869 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,1,0,0,0,1|1,0,0]=3 3870 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [0,1,0,0,0,1|0,0,0]=2 3871 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,1,0,0,0,1|1,0,0]=3 3872 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,1,0,0,0,1|0,0,1]=3 3873 B8R1.4 CC1=CC(CCC1)O MCULE-3389687006 [0,1,0,0,0,1|2,0,0]=4 3874 B8R1.4 CC1=CC(CNC1)C MCULE-4673363753 [0,1,0,0,0,1|2,0,0]=4 3875 B8R1.4 CC1=CC(CNC1)C MCULE-8321555834 [0,1,0,0,0,1|2,0,0]=4 3876 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,1,0,0,0,1|1,0,1]=4 3877 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [0,1,0,0,0,1|0,0,1]=3 3878 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,1,0,0,0,1|1,0,0]=3 3879 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,1,0,0,0,1|1,0,0]=3 3880 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,1,0,0,0,1|1,0,0]=3 3881 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,1,0,0,0,1|1,0,0]=3 3882 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,1,0,0,0,1|1,0,0]=3 3883 B8R1.4 CC1CC(CCO1)N MCULE-6804148880 [0,1,0,0,0,1|1,0,1]=4 3884 B8R1.4 CC1CC(CCO1)N MCULE-8648516718 [0,1,0,0,0,1|1,0,1]=4 3885 B8R1.4 CC1CC(CCO1)O MCULE-4865141445 [0,1,0,0,0,1|1,0,1]=4 3886 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,1,0,0,0,1|0,0,1]=3 3887 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,1,0,0,0,1|1,0,0]=3 3888 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,1,0,0,0,1|1,0,0]=3 3889 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,1,0,0,0,1|1,0,0]=3 3890 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,1,0,0,0,1|0,0,0]=2 3891 B8R1.4 CC1CCN=C(S1)N MCULE-2188659606 [0,1,0,0,0,1|1,1,0]=4 3892 B8R1.4 CC1CCN=C(S1)N MCULE-8502352820 [0,1,0,0,0,1|1,1,0]=4 3893 B8R1.4 CC1CCNC(=N)C1 MCULE-2615774284 [0,1,0,0,0,1|2,0,0]=4 3894 B8R1.4 CC1CCNC(=N)C1 MCULE-9034088725 [0,1,0,0,0,1|2,0,0]=4 3895 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,1,0,0,0,1|1,0,0]=3 3896 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,1,0,0,0,1|1,0,0]=3 3897 B8R1.4 CC1CCOB(O1)O MCULE-4196565139 [0,1,0,0,0,1|1,0,1]=4 3898 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,1,0,0,0,1|0,0,0]=2 3899 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,1,0,0,0,1|0,0,0]=2 3900 B8R1.4 CC1CCOC(O1)C MCULE-1813287934 [0,1,0,0,0,1|1,0,1]=4 3901 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [0,1,0,0,0,1|1,0,0]=3 3902 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,1,0,0,0,1|1,0,0]=3 3903 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,1,0,0,0,1|1,0,0]=3 3904 B8R1.4 CC1CNCC(O1)C MCULE-1246186846 [0,1,0,0,0,1|1,0,1]=4 3905 B8R1.4 CC1CNCC(O1)C MCULE-4536319828 [0,1,0,0,0,1|1,0,1]=4 3906 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,1,0,0,0,1|1,0,0]=3 3907 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,1,0,0,0,1|1,0,0]=3 3908 B8R1.4 CC1CS(=O)CCN1 MCULE-1283703183 [0,1,0,0,0,1|2,0,0]=4 3909 B8R1.4 CN1CCC=C(C1)Br MCULE-2257933393 [0,1,0,0,0,1|2,0,0]=4 3910 B8R1.4 CN1CCC=C(C1)Br MCULE-5744160461 [0,1,0,0,0,1|2,0,0]=4 3911 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,1,0,0,0,1|1,0,0]=3 3912 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,1,0,0,0,1|1,0,0]=3 3913 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,1,0,0,0,1|1,0,0]=3 3914 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,1,0,0,0,1|0,0,0]=2 3915 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,1,0,0,0,1|0,0,0]=2 3916 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,1,0,0,0,1|1,0,0]=3 3917 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,1,0,0,0,1|1,0,0]=3 3918 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,1,0,0,0,1|1,0,0]=3 3919 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,1,0,0,0,1|1,0,0]=3 3920 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,1,0,0,0,1|1,0,0]=3 3921 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,1,0,0,0,1|1,0,0]=3 3922 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,1,0,0,0,1|1,0,0]=3 3923 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,1,0,0,0,1|1,0,0]=3 3924 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,1,0,0,0,1|1,0,0]=3 3925 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,1,0,0,0,1|1,0,0]=3 3926 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,1,0,0,0,1|0,0,0]=2 3927 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,1,0,0,0,1|0,0,0]=2 3928 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-5066686774 [0,1,0,0,0,1|1,1,0]=4 3929 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-6965708093 [0,1,0,0,0,1|1,1,0]=4 3930 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,1,0,0,0,1|1,0,0]=3 3931 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,1,0,0,0,1|1,0,0]=3 3932 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,1,0,0,0,1|1,0,0]=3 3933 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,1,0,0,0,1|1,0,0]=3 3934 B8R1.4 C[C@@H]1CNC[C@H](O1)C MCULE-8338777291 [0,1,0,0,0,1|1,0,1]=4 3935 B8R1.4 C[C@@H]1CNC[C@H](O1)C MCULE-9597572516 [0,1,0,0,0,1|1,0,1]=4 3936 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,1,0,0,0,1|1,0,0]=3 3937 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,1,0,0,0,1|1,0,0]=3 3938 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-5401313109 [0,1,0,0,0,1|1,0,1]=4 3939 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-6369939467 [0,1,0,0,0,1|1,0,1]=4 3940 B8R1.4 C[C@@H]1C[C@@H](CCO1)O MCULE-6251959536 [0,1,0,0,0,1|1,0,1]=4 3941 B8R1.4 C[C@@H]1C[C@H](CCO1)Br MCULE-5055630042 [0,1,0,0,0,1|1,0,1]=4 3942 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-3414529082 [0,1,0,0,0,1|1,0,1]=4 3943 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-9424615508 [0,1,0,0,0,1|1,0,1]=4 3944 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,1,0,0,0,1|1,0,0]=3 3945 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,1,0,0,0,1|1,0,0]=3 3946 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,1,0,0,0,1|1,0,0]=3 3947 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,1,0,0,0,1|1,0,0]=3 3948 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,1,0,0,0,1|1,0,0]=3 3949 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,1,0,0,0,1|1,0,0]=3 3950 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,1,0,0,0,1|1,0,0]=3 3951 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,1,0,0,0,1|1,0,0]=3 3952 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,1,0,0,0,1|1,0,0]=3 3953 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,1,0,0,0,1|1,0,0]=3 3954 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,1,0,0,0,1|1,0,0]=3 3955 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,1,0,0,0,1|1,0,0]=3 3956 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,1,0,0,0,1|1,0,0]=3 3957 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,1,0,0,0,1|1,0,0]=3 3958 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-3690703731 [0,1,0,0,0,1|1,0,1]=4 3959 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-4390136549 [0,1,0,0,0,1|1,0,1]=4 3960 B8R1.4 C[C@H]1CNC[C@@H](O1)C MCULE-6341510399 [0,1,0,0,0,1|1,0,1]=4 3961 B8R1.4 C[C@H]1CNC[C@H](O1)C MCULE-8184385886 [0,1,0,0,0,1|1,0,1]=4 3962 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,1,0,0,0,1|1,0,0]=3 3963 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,1,0,0,0,1|1,0,0]=3 3964 B8R1.4 C[C@H]1C[C@@H](CCO1)N MCULE-1731421927 [0,1,0,0,0,1|1,0,1]=4 3965 B8R1.4 C[C@H]1C[C@@H](CCO1)O MCULE-3846187212 [0,1,0,0,0,1|1,0,1]=4 3966 B8R1.4 C[C@H]1C[C@H](CCO1)N MCULE-6954386064 [0,1,0,0,0,1|1,0,1]=4 3967 B8R1.4 C[C@H]1C[C@H](CCO1)O MCULE-3007764630 [0,1,0,0,0,1|1,0,1]=4 3968 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,1,0,0,0,1|1,0,0]=3 3969 B8R1.4 NC1=CC(=O)COC1 MCULE-7765608843 [0,1,0,0,0,1|0,0,2]=4 3970 B8R1.4 NC1=NCCC(=O)N1 MCULE-1616157929 [0,1,0,0,0,1|1,0,1]=4 3971 B8R1.4 NC1C=C(CCC1)F MCULE-7477602128 [0,1,0,0,0,1|2,0,0]=4 3972 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,1,0,0,0,1|1,0,0]=3 3973 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,1,0,0,0,1|1,0,0]=3 3974 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,1,0,0,0,1|1,0,0]=3 3975 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,1,0,0,0,1|1,0,0]=3 3976 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,1,0,0,0,1|1,0,0]=3 3977 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,1,0,0,0,1|1,0,0]=3 3978 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,1,0,0,0,1|0,0,0]=2 3979 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,1,0,0,0,1|0,0,0]=2 3980 B8R1.4 NC1COCC(C1)O MCULE-4181084305 [0,1,0,0,0,1|0,0,2]=4 3981 B8R1.4 NC1COCC(C1)O MCULE-5761305163 [0,1,0,0,0,1|0,0,2]=4 3982 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,1,0,0,0,1|1,0,0]=3 3983 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,1,0,0,0,1|1,0,0]=3 3984 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,1,0,0,0,1|0,0,0]=2 3985 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,1,0,0,0,1|0,0,0]=2 3986 B8R1.4 N[C@@H]1COC[C@@H](C1)O MCULE-2589345375 [0,1,0,0,0,1|0,0,2]=4 3987 B8R1.4 N[C@@H]1COC[C@@H](C1)O MCULE-5154891684 [0,1,0,0,0,1|0,0,2]=4 3988 B8R1.4 N[C@@H]1COC[C@H](C1)O MCULE-1888308248 [0,1,0,0,0,1|0,0,2]=4 3989 B8R1.4 N[C@@H]1COC[C@H](C1)O MCULE-4630509866 [0,1,0,0,0,1|0,0,2]=4 3990 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,1,0,0,0,1|1,0,0]=3 3991 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,1,0,0,0,1|1,0,0]=3 3992 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,1,0,0,0,1|1,0,0]=3 3993 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,1,0,0,0,1|1,0,0]=3 3994 B8R1.4 N[C@H]1COC[C@@H](C1)O MCULE-6168789714 [0,1,0,0,0,1|0,0,2]=4 3995 B8R1.4 N[C@H]1COC[C@H](C1)O MCULE-1887576189 [0,1,0,0,0,1|0,0,2]=4 3996 B8R1.4 N[C@H]1COC[C@H](C1)O MCULE-2203204142 [0,1,0,0,0,1|0,0,2]=4 3997 B8R1.4 O=C1C=C(CCC1)Br MCULE-3733885681 [0,1,0,0,0,1|1,0,0]=3 3998 B8R1.4 O=C1C=C(CCC1)Cl MCULE-9612484193 [0,1,0,0,0,1|1,0,0]=3 3999 B8R1.4 O=C1C=C(CCC1)I MCULE-4085762002 [0,1,0,0,0,1|1,0,0]=3 4000 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [0,1,0,0,0,1|1,0,0]=3 4001 B8R1.4 O=C1C=C(CCN1)Br MCULE-5356952780 [0,1,0,0,0,1|1,0,1]=4 4002 B8R1.4 O=C1C=C(COC1)O MCULE-2385941614 [0,1,0,0,0,1|0,0,2]=4 4003 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [0,1,0,0,0,1|0,0,2]=4 4004 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,1,0,0,0,1|1,0,0]=3 4005 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,1,0,0,0,1|1,0,0]=3 4006 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,1,0,0,0,1|1,0,0]=3 4007 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,1,0,0,0,1|1,0,0]=3 4008 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,1,0,0,0,1|1,0,0]=3 4009 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [0,1,0,0,0,1|1,0,0]=3 4010 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [0,1,0,0,0,1|0,0,0]=2 4011 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,1,0,0,0,1|1,0,0]=3 4012 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,1,0,0,0,1|1,0,0]=3 4013 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,1,0,0,0,1|1,0,0]=3 4014 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [0,1,0,0,0,1|1,0,1]=4 4015 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,1,0,0,0,1|0,0,1]=3 4016 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,1,0,0,0,1|0,0,0]=2 4017 B8R1.4 O=C1CNCC(=O)C1 MCULE-9390215509 [0,1,0,0,0,1|1,0,1]=4 4018 B8R1.4 O=C1CNCC(=O)C1 MCULE-9631657912 [0,1,0,0,0,1|1,0,1]=4 4019 B8R1.4 O=C1CNCC(=O)N1 MCULE-2684405909 [0,1,0,0,0,1|1,0,1]=4 4020 B8R1.4 O=C1CNCC(=O)N1 MCULE-8918860650 [0,1,0,0,0,1|1,0,1]=4 4021 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [0,1,0,0,0,1|0,0,1]=3 4022 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [0,1,0,0,0,1|1,0,1]=4 4023 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,1,0,0,0,1|0,0,1]=3 4024 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,1,0,0,0,1|0,0,0]=2 4025 B8R1.4 O=C1CSCC(=O)C1 MCULE-7749510849 [0,1,0,0,0,1|0,1,1]=4 4026 B8R1.4 O=C1CSCC(=O)N1 MCULE-5124635458 [0,1,0,0,0,1|1,0,1]=4 4027 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [0,1,0,0,0,1|0,0,1]=3 4028 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,1,0,0,0,1|1,0,0]=3 4029 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,1,0,0,0,1|1,0,0]=3 4030 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,1,0,0,0,1|1,0,0]=3 4031 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,1,0,0,0,1|1,0,0]=3 4032 B8R1.4 O=C1NC(=S)CCS1 MCULE-5745642312 [0,1,0,0,0,1|0,1,1]=4 4033 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-6235987509 [0,1,0,0,0,1|0,0,2]=4 4034 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-9016019550 [0,1,0,0,0,1|0,0,2]=4 4035 B8R1.4 OC1C=C(COC1)Br MCULE-4969292541 [0,1,0,0,0,1|1,0,1]=4 4036 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,1,0,0,0,1|1,0,0]=3 4037 B8R1.5 BrC1=C(CCCC1)Br MCULE-3043011492 [0,1,0,0,0,1|2,0,0]=4 4038 B8R1.5 BrC1=CCCCC1Br MCULE-4680116883 [0,1,0,0,0,1|2,0,0]=4 4039 B8R1.5 BrC1CCCOC1Br MCULE-5122148511 [0,1,0,0,0,1|1,0,1]=4 4040 B8R1.5 C=C1CCCCC1O MCULE-3853228524 [0,1,0,0,0,1|2,0,0]=4 4041 B8R1.5 C=C1CCCCC1O MCULE-5911864977 [0,1,0,0,0,1|2,0,0]=4 4042 B8R1.5 C=C1CCCNC1=O MCULE-1867993758 [0,1,0,0,0,1|1,0,0]=3 4043 B8R1.5 C=C1COCCC1N MCULE-4966385224 [0,1,0,0,0,1|1,0,0]=3 4044 B8R1.5 CC1=C(CNCC1)Br MCULE-2210558974 [0,1,0,0,0,1|2,0,0]=4 4045 B8R1.5 CC1=C(CNCC1)Br MCULE-2548770953 [0,1,0,0,0,1|2,0,0]=4 4046 B8R1.5 CC1=C(CNCC1)C MCULE-7715400597 [0,1,0,0,0,1|2,0,0]=4 4047 B8R1.5 CC1=C(CNCC1)C MCULE-9843104075 [0,1,0,0,0,1|2,0,0]=4 4048 B8R1.5 CC1=CCCCC1=O MCULE-6245248136 [0,1,0,0,0,1|1,0,0]=3 4049 B8R1.5 CC1=NCCCN1C MCULE-1598225464 [0,1,0,0,0,1|2,0,0]=4 4050 B8R1.5 CC1CCCCC1=O MCULE-6363555535 [0,1,0,0,0,1|1,0,0]=3 4051 B8R1.5 CC1CCCNC1=O MCULE-5295531632 [0,1,0,0,0,1|1,0,0]=3 4052 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [0,1,0,0,0,1|0,0,0]=2 4053 B8R1.5 CC1CCNCC1=O MCULE-8618050685 [0,1,0,0,0,1|1,0,0]=3 4054 B8R1.5 CC1CCNCC1=O MCULE-9238977073 [0,1,0,0,0,1|1,0,0]=3 4055 B8R1.5 CC1CCOCC1=O MCULE-2481965177 [0,1,0,0,0,1|0,0,0]=2 4056 B8R1.5 CC1CNCCC1=O MCULE-6306655160 [0,1,0,0,0,1|1,0,0]=3 4057 B8R1.5 CC1CNCCC1=O MCULE-9018912988 [0,1,0,0,0,1|1,0,0]=3 4058 B8R1.5 CC1CNCCS1=O MCULE-7861495998 [0,1,0,0,0,1|2,0,0]=4 4059 B8R1.5 CC1COCCC1=O MCULE-2694187526 [0,1,0,0,0,1|1,0,0]=3 4060 B8R1.5 CC1COCCC1N MCULE-6236890728 [0,1,0,0,0,1|1,0,1]=4 4061 B8R1.5 CC1COCCC1N MCULE-7497946239 [0,1,0,0,0,1|1,0,1]=4 4062 B8R1.5 CC1COCCC1O MCULE-9430778912 [0,1,0,0,0,1|1,0,1]=4 4063 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [0,1,0,0,0,1|1,0,0]=3 4064 B8R1.5 CC1NCCCC1=O MCULE-1303642695 [0,1,0,0,0,1|1,0,0]=3 4065 B8R1.5 CC1NCCCC1=O MCULE-6618358169 [0,1,0,0,0,1|1,0,0]=3 4066 B8R1.5 CC1NCCNC1=O MCULE-3078767867 [0,1,0,0,0,1|1,0,0]=3 4067 B8R1.5 CC1NCCNC1=O MCULE-9884862705 [0,1,0,0,0,1|1,0,0]=3 4068 B8R1.5 CC1NCCOC1C MCULE-1624947595 [0,1,0,0,0,1|1,0,1]=4 4069 B8R1.5 CC1NCCOC1C MCULE-4208173089 [0,1,0,0,0,1|1,0,1]=4 4070 B8R1.5 CC1OCCNC1=O MCULE-8812176499 [0,1,0,0,0,1|1,0,0]=3 4071 B8R1.5 CC1SCCCC1=O MCULE-7641066964 [0,1,0,0,0,1|0,1,0]=3 4072 B8R1.5 CC1SCCNC1=O MCULE-1825894745 [0,1,0,0,0,1|1,0,0]=3 4073 B8R1.5 CN1CCCCC1=O MCULE-9619129797 [0,1,0,0,0,1|1,0,0]=3 4074 B8R1.5 CN1CCCNC1=O MCULE-3141639397 [0,1,0,0,0,1|1,0,0]=3 4075 B8R1.5 CN1CCCNC1=S MCULE-2262321761 [0,1,0,0,0,1|1,1,0]=4 4076 B8R1.5 CN1CCNCC1=O MCULE-4783963074 [0,1,0,0,0,1|1,0,0]=3 4077 B8R1.5 CN1CCNCC1=O MCULE-7251084542 [0,1,0,0,0,1|1,0,0]=3 4078 B8R1.5 CN1CCNCC1=O MCULE-9201460493 [0,1,0,0,0,1|1,0,0]=3 4079 B8R1.5 CN1CCNCC1=O MCULE-9789420240 [0,1,0,0,0,1|1,0,0]=3 4080 B8R1.5 CN1CCOCC1=O MCULE-8864378597 [0,1,0,0,0,1|1,0,0]=3 4081 B8R1.5 C[C@@H]1COCC[C@@H]1N MCULE-1854737385 [0,1,0,0,0,1|1,0,1]=4 4082 B8R1.5 C[C@@H]1COCC[C@@H]1N MCULE-5272955365 [0,1,0,0,0,1|1,0,1]=4 4083 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-1385721208 [0,1,0,0,0,1|1,0,1]=4 4084 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-1584947952 [0,1,0,0,0,1|1,0,1]=4 4085 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-3448920251 [0,1,0,0,0,1|1,0,1]=4 4086 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-7256484712 [0,1,0,0,0,1|1,0,1]=4 4087 B8R1.5 C[C@@H]1NCCNC1=O MCULE-1719923601 [0,1,0,0,0,1|1,0,0]=3 4088 B8R1.5 C[C@@H]1NCCNC1=O MCULE-3211216058 [0,1,0,0,0,1|1,0,0]=3 4089 B8R1.5 C[C@@H]1NCCNC1=O MCULE-4268624973 [0,1,0,0,0,1|1,0,0]=3 4090 B8R1.5 C[C@H]1CNCCC1=O MCULE-8062269317 [0,1,0,0,0,1|1,0,0]=3 4091 B8R1.5 C[C@H]1CNCCC1=O MCULE-9510433313 [0,1,0,0,0,1|1,0,0]=3 4092 B8R1.5 C[C@H]1COCCC1=O MCULE-3103478095 [0,1,0,0,0,1|1,0,0]=3 4093 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-3420685614 [0,1,0,0,0,1|1,0,1]=4 4094 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-4495690357 [0,1,0,0,0,1|1,0,1]=4 4095 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-9724547988 [0,1,0,0,0,1|1,0,1]=4 4096 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-9889716251 [0,1,0,0,0,1|1,0,1]=4 4097 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-3075216082 [0,1,0,0,0,1|1,0,1]=4 4098 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-4276602047 [0,1,0,0,0,1|1,0,1]=4 4099 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-6090606114 [0,1,0,0,0,1|1,0,1]=4 4100 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-6610603811 [0,1,0,0,0,1|1,0,1]=4 4101 B8R1.5 C[C@H]1NCCNC1=O MCULE-1350777729 [0,1,0,0,0,1|1,0,0]=3 4102 B8R1.5 C[C@H]1NCCNC1=O MCULE-3433713206 [0,1,0,0,0,1|1,0,0]=3 4103 B8R1.5 C[C@H]1NCCNC1=O MCULE-6014092524 [0,1,0,0,0,1|1,0,0]=3 4104 B8R1.5 ClC1OCCOC1Cl MCULE-9705161891 [0,1,0,0,0,1|1,0,1]=4 4105 B8R1.5 Cl[C@@H]1OCCO[C@H]1Cl MCULE-8812352258 [0,1,0,0,0,1|1,0,1]=4 4106 B8R1.5 Cl[C@@H]1OCCO[C@H]1Cl MCULE-9919063070 [0,1,0,0,0,1|1,0,1]=4 4107 B8R1.5 Cl[C@H]1OCCO[C@@H]1Cl MCULE-2848145524 [0,1,0,0,0,1|1,0,1]=4 4108 B8R1.5 FC1=C(CCCC1)Br MCULE-1560441134 [0,1,0,0,0,1|2,0,0]=4 4109 B8R1.5 NC1CCCCC1=O MCULE-2382898926 [0,1,0,0,0,1|1,0,0]=3 4110 B8R1.5 NC1CCCCC1=O MCULE-9230455128 [0,1,0,0,0,1|1,0,0]=3 4111 B8R1.5 NC1CCCNC1=O MCULE-2560564171 [0,1,0,0,0,1|1,0,0]=3 4112 B8R1.5 NC1CCCNC1=O MCULE-4494449620 [0,1,0,0,0,1|1,0,0]=3 4113 B8R1.5 NC1CCCNC1=O MCULE-7473475906 [0,1,0,0,0,1|1,0,0]=3 4114 B8R1.5 NC1CCCNC1=O MCULE-8288645102 [0,1,0,0,0,1|1,0,0]=3 4115 B8R1.5 NC1CCOCC1F MCULE-1016932578 [0,1,0,0,0,1|1,0,1]=4 4116 B8R1.5 NC1CCOCC1F MCULE-9622790392 [0,1,0,0,0,1|1,0,1]=4 4117 B8R1.5 NC1CCOCC1O MCULE-2815184899 [0,1,0,0,0,1|0,0,2]=4 4118 B8R1.5 NC1CCOCC1O MCULE-4548392204 [0,1,0,0,0,1|0,0,2]=4 4119 B8R1.5 NC1COCCC1=O MCULE-2621905094 [0,1,0,0,0,1|1,0,0]=3 4120 B8R1.5 NC1COCCC1=O MCULE-5417580672 [0,1,0,0,0,1|1,0,0]=3 4121 B8R1.5 NC1COCCC1F MCULE-1455837903 [0,1,0,0,0,1|1,0,1]=4 4122 B8R1.5 NC1COCCC1F MCULE-7145252320 [0,1,0,0,0,1|1,0,1]=4 4123 B8R1.5 NC1COCCC1O MCULE-6374385354 [0,1,0,0,0,1|1,0,1]=4 4124 B8R1.5 NC1COCCC1O MCULE-7944406292 [0,1,0,0,0,1|1,0,1]=4 4125 B8R1.5 NN1CCCCC1=O MCULE-3663308028 [0,1,0,0,0,1|1,0,0]=3 4126 B8R1.5 NN1CCCCC1=O MCULE-9929233745 [0,1,0,0,0,1|1,0,0]=3 4127 B8R1.5 NN1CCCNC1=O MCULE-1690172508 [0,1,0,0,0,1|1,0,0]=3 4128 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [0,1,0,0,0,1|0,0,0]=2 4129 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2058435105 [0,1,0,0,0,1|1,0,0]=3 4130 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2444659445 [0,1,0,0,0,1|1,0,0]=3 4131 B8R1.5 N[C@@H]1CCCNC1=O MCULE-3005560472 [0,1,0,0,0,1|1,0,0]=3 4132 B8R1.5 N[C@@H]1CCCNC1=O MCULE-6935410876 [0,1,0,0,0,1|1,0,0]=3 4133 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-1239747130 [0,1,0,0,0,1|1,0,1]=4 4134 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-2720196545 [0,1,0,0,0,1|1,0,1]=4 4135 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-4681308404 [0,1,0,0,0,1|1,0,1]=4 4136 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-5510784592 [0,1,0,0,0,1|1,0,1]=4 4137 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-6118396691 [0,1,0,0,0,1|1,0,1]=4 4138 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-9001277868 [0,1,0,0,0,1|1,0,1]=4 4139 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-1888816293 [0,1,0,0,0,1|0,0,2]=4 4140 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3667258867 [0,1,0,0,0,1|0,0,2]=4 4141 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3915823883 [0,1,0,0,0,1|0,0,2]=4 4142 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-9959521476 [0,1,0,0,0,1|0,0,2]=4 4143 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-3556707940 [0,1,0,0,0,1|1,0,1]=4 4144 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-4525092522 [0,1,0,0,0,1|1,0,1]=4 4145 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-7086756183 [0,1,0,0,0,1|1,0,1]=4 4146 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-8506007792 [0,1,0,0,0,1|1,0,1]=4 4147 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-1071839837 [0,1,0,0,0,1|0,0,2]=4 4148 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-6051401821 [0,1,0,0,0,1|0,0,2]=4 4149 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-7013720281 [0,1,0,0,0,1|0,0,2]=4 4150 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-8477518337 [0,1,0,0,0,1|0,0,2]=4 4151 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-1031623201 [0,1,0,0,0,1|1,0,1]=4 4152 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-2846030882 [0,1,0,0,0,1|1,0,1]=4 4153 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-8863364874 [0,1,0,0,0,1|1,0,1]=4 4154 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-9836639365 [0,1,0,0,0,1|1,0,1]=4 4155 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-2318671918 [0,1,0,0,0,1|1,0,1]=4 4156 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-3695420668 [0,1,0,0,0,1|1,0,1]=4 4157 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-6955873978 [0,1,0,0,0,1|1,0,1]=4 4158 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-8343413560 [0,1,0,0,0,1|1,0,1]=4 4159 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-4436769496 [0,1,0,0,0,1|1,0,1]=4 4160 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-6163244980 [0,1,0,0,0,1|1,0,1]=4 4161 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-8697534407 [0,1,0,0,0,1|1,0,1]=4 4162 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-9625047427 [0,1,0,0,0,1|1,0,1]=4 4163 B8R1.5 N[C@H]1CCCNC1=O MCULE-1247931890 [0,1,0,0,0,1|1,0,0]=3 4164 B8R1.5 N[C@H]1CCCNC1=O MCULE-2425510086 [0,1,0,0,0,1|1,0,0]=3 4165 B8R1.5 N[C@H]1CCCNC1=O MCULE-6121950966 [0,1,0,0,0,1|1,0,0]=3 4166 B8R1.5 N[C@H]1CCCNC1=O MCULE-7701042199 [0,1,0,0,0,1|1,0,0]=3 4167 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-1493875164 [0,1,0,0,0,1|1,0,1]=4 4168 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-2102376472 [0,1,0,0,0,1|1,0,1]=4 4169 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-6109633704 [0,1,0,0,0,1|1,0,1]=4 4170 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-7337274868 [0,1,0,0,0,1|1,0,1]=4 4171 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-9740357152 [0,1,0,0,0,1|1,0,1]=4 4172 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-9831607120 [0,1,0,0,0,1|1,0,1]=4 4173 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-1217623714 [0,1,0,0,0,1|0,0,2]=4 4174 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4607259008 [0,1,0,0,0,1|0,0,2]=4 4175 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4749541215 [0,1,0,0,0,1|0,0,2]=4 4176 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-9683658087 [0,1,0,0,0,1|0,0,2]=4 4177 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-1550590585 [0,1,0,0,0,1|1,0,1]=4 4178 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-4067592428 [0,1,0,0,0,1|1,0,1]=4 4179 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-4649837852 [0,1,0,0,0,1|1,0,1]=4 4180 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-6334068028 [0,1,0,0,0,1|1,0,1]=4 4181 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1807586879 [0,1,0,0,0,1|0,0,2]=4 4182 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1937023434 [0,1,0,0,0,1|0,0,2]=4 4183 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4374635229 [0,1,0,0,0,1|0,0,2]=4 4184 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4873019238 [0,1,0,0,0,1|0,0,2]=4 4185 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-1937054893 [0,1,0,0,0,1|1,0,1]=4 4186 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-4877924283 [0,1,0,0,0,1|1,0,1]=4 4187 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-6674323819 [0,1,0,0,0,1|1,0,1]=4 4188 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-7305089306 [0,1,0,0,0,1|1,0,1]=4 4189 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-8372108333 [0,1,0,0,0,1|1,0,1]=4 4190 B8R1.5 O=C1CCCC=C1Br MCULE-3661382076 [0,1,0,0,0,1|1,0,0]=3 4191 B8R1.5 O=C1CCCC=C1I MCULE-5006563152 [0,1,0,0,0,1|1,0,0]=3 4192 B8R1.5 O=C1CCCCC1=O MCULE-5770827130 [0,1,0,0,0,1|1,0,0]=3 4193 B8R1.5 O=C1CCCCC1Br MCULE-9356057483 [0,1,0,0,0,1|1,0,0]=3 4194 B8R1.5 O=C1CCCCC1Cl MCULE-1580566298 [0,1,0,0,0,1|1,0,0]=3 4195 B8R1.5 O=C1CCCCC1F MCULE-6406930837 [0,1,0,0,0,1|1,0,0]=3 4196 B8R1.5 O=C1CCCCC1O MCULE-7509366699 [0,1,0,0,0,1|1,0,0]=3 4197 B8R1.5 O=C1CCCNC1=O MCULE-3369124759 [0,1,0,0,0,1|1,0,0]=3 4198 B8R1.5 O=C1CCNCC1Br MCULE-1607524353 [0,1,0,0,0,1|1,0,0]=3 4199 B8R1.5 O=C1CCNCC1Br MCULE-2623420651 [0,1,0,0,0,1|1,0,0]=3 4200 B8R1.5 O=C1CCNCC1Br MCULE-9921456309 [0,1,0,0,0,1|1,0,0]=3 4201 B8R1.5 O=C1CCNCC1F MCULE-4156323292 [0,1,0,0,0,1|1,0,0]=3 4202 B8R1.5 O=C1CCNCC1F MCULE-5488977269 [0,1,0,0,0,1|1,0,0]=3 4203 B8R1.5 O=C1CCNC[C@@H]1F MCULE-1703177711 [0,1,0,0,0,1|1,0,0]=3 4204 B8R1.5 O=C1CCNC[C@@H]1F MCULE-2722101377 [0,1,0,0,0,1|1,0,0]=3 4205 B8R1.5 O=C1CCNC[C@@H]1F MCULE-3843083136 [0,1,0,0,0,1|1,0,0]=3 4206 B8R1.5 O=C1CCNC[C@@H]1F MCULE-8423259867 [0,1,0,0,0,1|1,0,0]=3 4207 B8R1.5 O=C1CCNC[C@H]1F MCULE-4893691455 [0,1,0,0,0,1|1,0,0]=3 4208 B8R1.5 O=C1CCNC[C@H]1F MCULE-7014608979 [0,1,0,0,0,1|1,0,0]=3 4209 B8R1.5 O=C1CCOCC1Br MCULE-1103002154 [0,1,0,0,0,1|1,0,0]=3 4210 B8R1.5 O=C1CCOCC1Cl MCULE-6926183930 [0,1,0,0,0,1|1,0,0]=3 4211 B8R1.5 O=C1CCOCC1F MCULE-8590362767 [0,1,0,0,0,1|1,0,0]=3 4212 B8R1.5 O=C1CCOCC1O MCULE-7032874317 [0,1,0,0,0,1|1,0,0]=3 4213 B8R1.5 O=C1CCOC[C@@H]1Br MCULE-8729201111 [0,1,0,0,0,1|1,0,0]=3 4214 B8R1.5 O=C1CCOC[C@@H]1F MCULE-3075219245 [0,1,0,0,0,1|1,0,0]=3 4215 B8R1.5 O=C1NCCC=C1Br MCULE-7421402456 [0,1,0,0,0,1|1,0,1]=4 4216 B8R1.5 O=C1NCCC=C1Cl MCULE-9026882449 [0,1,0,0,0,1|1,0,1]=4 4217 B8R1.5 O=C1NCCCC1Br MCULE-1860833784 [0,1,0,0,0,1|1,0,0]=3 4218 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [0,1,0,0,0,1|1,0,0]=3 4219 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [0,1,0,0,0,1|1,0,0]=3 4220 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [0,1,0,0,0,1|1,0,0]=3 4221 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [0,1,0,0,0,1|1,0,0]=3 4222 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [0,1,0,0,0,1|1,0,0]=3 4223 B8R1.5 O=C1NCCNC1=O MCULE-5492631108 [0,1,0,0,0,1|1,0,1]=4 4224 B8R1.5 O=C1NCCOC1=O MCULE-5092732656 [0,1,0,0,0,1|0,0,1]=3 4225 B8R1.5 O=C1OCCC=C1Br MCULE-6619697801 [0,1,0,0,0,1|0,0,1]=3 4226 B8R1.5 O=C1OCCCC1Br MCULE-4407787541 [0,1,0,0,0,1|0,0,0]=2 4227 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [0,1,0,0,0,1|0,0,0]=2 4228 B8R1.5 OC1CCCC=C1Br MCULE-1040444564 [0,1,0,0,0,1|2,0,0]=4 4229 B8R1.5 OC1CCOCC1F MCULE-6531880501 [0,1,0,0,0,1|1,0,1]=4 4230 B8R1.5 OC1OCCOC1O MCULE-9891879099 [0,1,0,0,0,1|0,0,2]=4 4231 B8R1.5 O[C@@H]1CCCC=C1Br MCULE-9847748740 [0,1,0,0,0,1|2,0,0]=4 4232 B8R1.5 O[C@@H]1CCOC[C@@H]1F MCULE-1035298575 [0,1,0,0,0,1|1,0,1]=4 4233 B8R1.5 O[C@@H]1CCOC[C@@H]1F MCULE-7549327189 [0,1,0,0,0,1|1,0,1]=4 4234 B8R1.5 O[C@@H]1CCOC[C@H]1F MCULE-5919881662 [0,1,0,0,0,1|1,0,1]=4 4235 B8R1.5 O[C@H]1CCOC[C@@H]1F MCULE-6227313100 [0,1,0,0,0,1|1,0,1]=4 4236 B8R1.5 O[C@H]1CCOC[C@@H]1F MCULE-8454301102 [0,1,0,0,0,1|1,0,1]=4 4237 B8R1.5 O[C@H]1CCOC[C@H]1F MCULE-6598998730 [0,1,0,0,0,1|1,0,1]=4 4238 B8R1.5 O[C@H]1CCOC[C@H]1F MCULE-7224746770 [0,1,0,0,0,1|1,0,1]=4 4239 B8R1.5 O[C@H]1CCOC[C@H]1F MCULE-7648243504 [0,1,0,0,0,1|1,0,1]=4 4240 B8R1.5 [C@@H]1(CCOC[C@@H]1O)N MCULE-2201413833 [0,1,0,0,0,1|0,0,2]=4 4241 B8R1.5 [C@@H]1(CCOC[C@H]1N)O MCULE-7745052941 [0,1,0,0,0,1|1,0,1]=4 4242 B8R1.5 [C@@H]1(COCC[C@@H]1O)N MCULE-2864950342 [0,1,0,0,0,1|1,0,1]=4 4243 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-3291339796 [0,1,0,0,0,1|0,0,2]=4 4244 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-5641035715 [0,1,0,0,0,1|0,0,2]=4 4245 B8R1.5 [C@H]1(COCC[C@H]1N)C MCULE-2786096186 [0,1,0,0,0,1|1,0,1]=4 4246 B8R1.5 [C@H]1(COCC[C@H]1N)C MCULE-3516272365 [0,1,0,0,0,1|1,0,1]=4 4247 B8R1.5 [C@H]1(COCC[C@H]1N)O MCULE-2088495989 [0,1,0,0,0,1|0,0,2]=4 4248 B8R1.5 [C@H]1(COCC[C@H]1O)N MCULE-5409068801 [0,1,0,0,0,1|1,0,1]=4 4249 B8R1.5 [C@H]1(NCCO[C@H]1C)C MCULE-5977135582 [0,1,0,0,0,1|1,0,1]=4 4250 B8R1.5 [C@H]1(NCCO[C@H]1C)C MCULE-8495373224 [0,1,0,0,0,1|1,0,1]=4 4251 B8R1.72 CC1(CCCOC1)N MCULE-3473263481 [0,1,0,0,0,1|1,0,1]=4 4252 B8R1.72 CC1(CCCOC1)N MCULE-9650675850 [0,1,0,0,0,1|1,0,1]=4 4253 B8R1.72 CC1(CCOCO1)C MCULE-7025894167 [0,1,0,0,0,1|1,0,1]=4 4254 B8R1.72 CC1(CNCCO1)C MCULE-1093588178 [0,1,0,0,0,1|1,0,1]=4 4255 B8R1.72 CC1(CNCCO1)C MCULE-1377070600 [0,1,0,0,0,1|1,0,1]=4 4256 B8R1.72 CP1(=O)CCNCC1 MCULE-2481700354 [0,1,0,0,0,1|2,0,0]=4 4257 B8R1.72 CP1(=O)CCNCC1 MCULE-7659597614 [0,1,0,0,0,1|2,0,0]=4 4258 B8R1.72 C[C@@]1(CCCOC1)N MCULE-6911571931 [0,1,0,0,0,1|1,0,1]=4 4259 B8R1.72 C[C@@]1(CCCOC1)N MCULE-7022092346 [0,1,0,0,0,1|1,0,1]=4 4260 B8R1.72 C[C@]1(CCCOC1)N MCULE-2192532317 [0,1,0,0,0,1|1,0,1]=4 4261 B8R1.72 C[C@]1(CCCOC1)N MCULE-9979909776 [0,1,0,0,0,1|1,0,1]=4 4262 B8R1.72 C[Si]1(CCCCO1)C MCULE-8051030048 [0,1,0,0,0,1|1,1,0]=4 4263 B8R1.72 FC1(CNCCO1)F MCULE-1260971887 [0,1,0,0,0,1|1,0,1]=4 4264 B8R1.72 FC1(CNCCO1)F MCULE-6095549603 [0,1,0,0,0,1|1,0,1]=4 4265 B8R1.72 N=S1(=O)CCCCC1 MCULE-8920208485 [0,1,0,0,0,1|2,0,0]=4 4266 B8R1.72 N=S1(=O)CCNCC1 MCULE-1687258331 [0,1,0,0,0,1|2,0,0]=4 4267 B8R1.72 N=S1(=O)CCNCC1 MCULE-5609385682 [0,1,0,0,0,1|2,0,0]=4 4268 B8R1.72 N=S1(=O)CCOCC1 MCULE-6078283647 [0,1,0,0,0,1|2,0,0]=4 4269 B8R1.72 O=S1(=O)C=CCCC1 MCULE-1954116946 [0,1,0,0,0,1|2,0,0]=4 4270 B8R1.72 O=S1(=O)CCCCN1 MCULE-6296400181 [0,1,0,0,0,1|2,0,0]=4 4271 B8R1.72 O=S1(=O)CCCCO1 MCULE-8722166220 [0,1,0,0,0,1|1,0,0]=3 4272 B8R1.72 O=S1(=O)CCNCC1 MCULE-5588926347 [0,1,0,0,0,1|2,0,0]=4 4273 B8R1.72 O=S1(=O)CCNCC1 MCULE-9457378592 [0,1,0,0,0,1|2,0,0]=4 4274 B8R1.72 O=S1(=O)CCNCN1 MCULE-8434732517 [0,1,0,0,0,1|2,0,0]=4 4275 B8R1.72 O=S1(=O)CCOCC1 MCULE-6954282764 [0,1,0,0,0,1|2,0,0]=4 4276 B8R1.72 O=S1(=O)CCOCN1 MCULE-2240726798 [0,1,0,0,0,1|2,0,0]=4 4277 B8R1.72 O=S1(=O)COCCN1 MCULE-7383759320 [0,1,0,0,0,1|2,0,0]=4 4278 B8R1.72 O=S1(=O)NCCCN1 MCULE-7962279459 [0,1,0,0,0,1|2,0,0]=4 4279 B8R1.72 O=S1(=O)OCCCO1 MCULE-8391650877 [0,1,0,0,0,1|1,0,0]=3 4280 B8R1.1 C#CC1COC(=O)N1 MCULE-7019791209 [0,2,0,0,0,0|1,0,0]=3 4281 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-3103635703 [0,2,0,0,0,0|1,0,0]=3 4282 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-7796064143 [0,2,0,0,0,0|1,0,0]=3 4283 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-4375742729 [0,2,0,0,0,0|1,0,0]=3 4284 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-5542662617 [0,2,0,0,0,0|1,0,0]=3 4285 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [0,2,0,0,0,0|1,0,0]=3 4286 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,2,0,0,0,0|1,0,0]=3 4287 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [0,2,0,0,0,0|1,0,0]=3 4288 B8R1.1 C1(CNC(=O)C1)CN MCULE-6663370335 [0,2,0,0,0,0|1,0,0]=3 4289 B8R1.1 C1(CNC(=O)C1)CN MCULE-8237162259 [0,2,0,0,0,0|1,0,0]=3 4290 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [0,2,0,0,0,0|1,0,0]=3 4291 B8R1.1 C=CC1CCC(=O)N1 MCULE-7994900822 [0,2,0,0,0,0|1,0,0]=3 4292 B8R1.1 C=CC1CNC(=S)O1 MCULE-8659277316 [0,2,0,0,0,0|1,1,0]=4 4293 B8R1.1 C=CC1COC(=O)C1 MCULE-5888906344 [0,2,0,0,0,0|0,0,0]=2 4294 B8R1.1 C=CC1COC(=O)C1 MCULE-8602073759 [0,2,0,0,0,0|0,0,0]=2 4295 B8R1.1 C=CC1COC(=O)O1 MCULE-3470962220 [0,2,0,0,0,0|1,0,0]=3 4296 B8R1.1 C=C[C@@H]1CNC(=S)O1 MCULE-2735890077 [0,2,0,0,0,0|1,1,0]=4 4297 B8R1.1 C=C[C@@H]1CNC(=S)O1 MCULE-2887337910 [0,2,0,0,0,0|1,1,0]=4 4298 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-1274088394 [0,2,0,0,0,0|0,0,0]=2 4299 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-3162707973 [0,2,0,0,0,0|0,0,0]=2 4300 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-1532767336 [0,2,0,0,0,0|1,0,0]=3 4301 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-3932839401 [0,2,0,0,0,0|1,0,0]=3 4302 B8R1.1 C=C[C@H]1CNC(=S)O1 MCULE-3494236866 [0,2,0,0,0,0|1,1,0]=4 4303 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-3492854139 [0,2,0,0,0,0|1,0,0]=3 4304 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-9796474747 [0,2,0,0,0,0|1,0,0]=3 4305 B8R1.1 CC1=NC(CO1)CBr MCULE-4046707435 [0,2,0,0,0,0|2,0,0]=4 4306 B8R1.1 CC1CCC(C1)C=O MCULE-9381232427 [0,2,0,0,0,0|1,0,1]=4 4307 B8R1.1 CC1CCC(O1)CI MCULE-2805289539 [0,2,0,0,0,0|1,0,1]=4 4308 B8R1.1 CC1CCC(O1)CN MCULE-4161233821 [0,2,0,0,0,0|1,0,1]=4 4309 B8R1.1 CC1CCC(O1)CO MCULE-1587985152 [0,2,0,0,0,0|0,0,2]=4 4310 B8R1.1 CC1COC(C1)CO MCULE-4511313299 [0,2,0,0,0,0|0,0,2]=4 4311 B8R1.1 CCC1=CC(=O)CC1 MCULE-6681801286 [0,2,0,0,0,0|1,0,1]=4 4312 B8R1.1 CCC1C=CC(=O)O1 MCULE-8058927851 [0,2,0,0,0,0|0,0,2]=4 4313 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [0,2,0,0,0,0|2,0,0]=4 4314 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,2,0,0,0,0|1,0,0]=3 4315 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [0,2,0,0,0,0|1,0,0]=3 4316 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [0,2,0,0,0,0|0,0,0]=2 4317 B8R1.1 CCC1CNC(=O)C1 MCULE-1800672545 [0,2,0,0,0,0|1,0,0]=3 4318 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [0,2,0,0,0,0|1,0,0]=3 4319 B8R1.1 CCC1COC(=N1)C MCULE-1406641220 [0,2,0,0,0,0|2,0,0]=4 4320 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [0,2,0,0,0,0|0,0,0]=2 4321 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [0,2,0,0,0,0|1,0,0]=3 4322 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,2,0,0,0,0|1,0,0]=3 4323 B8R1.1 CCN1CCC(=O)C1 MCULE-5806094458 [0,2,0,0,0,0|2,0,0]=4 4324 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,2,0,0,0,0|1,0,0]=3 4325 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [0,2,0,0,0,0|0,0,0]=2 4326 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,2,0,0,0,0|1,0,0]=3 4327 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [0,2,0,0,0,0|1,0,0]=3 4328 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [0,2,0,0,0,0|1,0,0]=3 4329 B8R1.1 CNC1CNC(=O)C1 MCULE-1673491824 [0,2,0,0,0,0|1,0,0]=3 4330 B8R1.1 CN[C@H]1CNC(=O)C1 MCULE-7859463391 [0,2,0,0,0,0|1,0,0]=3 4331 B8R1.1 COC1=CC(=O)CC1 MCULE-7963656232 [0,2,0,0,0,0|1,0,1]=4 4332 B8R1.1 COC1=CC(=O)OC1 MCULE-9199919492 [0,2,0,0,0,0|0,0,2]=4 4333 B8R1.1 COC1C=CC(=O)C1 MCULE-3904672515 [0,2,0,0,0,0|1,0,1]=4 4334 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [0,2,0,0,0,0|1,0,0]=3 4335 B8R1.1 COC1CCC(=O)N1 MCULE-9661875090 [0,2,0,0,0,0|1,0,0]=3 4336 B8R1.1 COC1CNC(=O)C1 MCULE-2023546447 [0,2,0,0,0,0|1,0,0]=3 4337 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-1981408927 [0,2,0,0,0,0|0,0,2]=4 4338 B8R1.1 C[C@@H]1CC[C@@H](O1)CO MCULE-2750103072 [0,2,0,0,0,0|0,0,2]=4 4339 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-2585928492 [0,2,0,0,0,0|0,0,2]=4 4340 B8R1.1 C[C@H]1CC[C@H](O1)CO MCULE-3715649264 [0,2,0,0,0,0|0,0,2]=4 4341 B8R1.1 N#CC1CCC(=O)C1 MCULE-3783981366 [0,2,0,0,0,0|1,0,0]=3 4342 B8R1.1 N#CC1CNC(=O)C1 MCULE-7040868747 [0,2,0,0,0,0|1,0,0]=3 4343 B8R1.1 N#CC1COC(=O)O1 MCULE-7635108167 [0,2,0,0,0,0|1,0,0]=3 4344 B8R1.1 N#C[C@@H]1CCC(=O)C1 MCULE-1506687355 [0,2,0,0,0,0|1,0,0]=3 4345 B8R1.1 N#C[C@H]1CCC(=O)C1 MCULE-3791390646 [0,2,0,0,0,0|1,0,0]=3 4346 B8R1.1 NC1=NCC(O1)CBr MCULE-8408311546 [0,2,0,0,0,0|2,0,0]=4 4347 B8R1.1 NC1=NCC(O1)CBr MCULE-9513559204 [0,2,0,0,0,0|2,0,0]=4 4348 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,2,0,0,0,0|1,0,0]=3 4349 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,2,0,0,0,0|1,0,0]=3 4350 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,2,0,0,0,0|1,0,0]=3 4351 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,2,0,0,0,0|1,0,0]=3 4352 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,2,0,0,0,0|0,0,0]=2 4353 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,2,0,0,0,0|0,0,0]=2 4354 B8R1.1 NCC1CNC(=O)C1 MCULE-2522987651 [0,2,0,0,0,0|1,0,0]=3 4355 B8R1.1 NCC1CNC(=O)C1 MCULE-7249550892 [0,2,0,0,0,0|1,0,0]=3 4356 B8R1.1 NCC1CNC(=O)C1 MCULE-7253893960 [0,2,0,0,0,0|1,0,0]=3 4357 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,2,0,0,0,0|1,0,0]=3 4358 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,2,0,0,0,0|1,0,0]=3 4359 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,2,0,0,0,0|1,0,0]=3 4360 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,2,0,0,0,0|1,0,0]=3 4361 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,2,0,0,0,0|1,0,0]=3 4362 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,2,0,0,0,0|1,0,0]=3 4363 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,2,0,0,0,0|1,0,0]=3 4364 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,2,0,0,0,0|1,0,0]=3 4365 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-1184474214 [0,2,0,0,0,0|1,0,0]=3 4366 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-2421452869 [0,2,0,0,0,0|1,0,0]=3 4367 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-3903743084 [0,2,0,0,0,0|1,0,0]=3 4368 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-9080425518 [0,2,0,0,0,0|1,0,0]=3 4369 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,2,0,0,0,0|1,0,0]=3 4370 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,2,0,0,0,0|1,0,0]=3 4371 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,2,0,0,0,0|1,0,0]=3 4372 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,2,0,0,0,0|1,0,0]=3 4373 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,2,0,0,0,0|1,0,0]=3 4374 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,2,0,0,0,0|1,0,0]=3 4375 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,2,0,0,0,0|1,0,0]=3 4376 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,2,0,0,0,0|1,0,0]=3 4377 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-7212975165 [0,2,0,0,0,0|1,0,0]=3 4378 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8203034485 [0,2,0,0,0,0|1,0,0]=3 4379 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8803246698 [0,2,0,0,0,0|1,0,0]=3 4380 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-9580224880 [0,2,0,0,0,0|1,0,0]=3 4381 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,2,0,0,0,0|1,0,0]=3 4382 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,2,0,0,0,0|1,0,0]=3 4383 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,2,0,0,0,0|1,0,0]=3 4384 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,2,0,0,0,0|1,0,0]=3 4385 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,2,0,0,0,0|1,0,0]=3 4386 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,2,0,0,0,0|1,0,0]=3 4387 B8R1.1 O=C1C=C(CO1)CBr MCULE-1493137482 [0,2,0,0,0,0|0,0,2]=4 4388 B8R1.1 O=C1C=C(CO1)CI MCULE-7834471824 [0,2,0,0,0,0|0,0,2]=4 4389 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [0,2,0,0,0,0|0,0,2]=4 4390 B8R1.1 O=C1C=CC(O1)CBr MCULE-5454606396 [0,2,0,0,0,0|0,0,2]=4 4391 B8R1.1 O=C1C=CC(O1)CO MCULE-4249850069 [0,2,0,0,0,0|0,0,2]=4 4392 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-3027706549 [0,2,0,0,0,0|0,0,2]=4 4393 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-5764400462 [0,2,0,0,0,0|0,0,2]=4 4394 B8R1.1 O=C1CC(CN1)CBr MCULE-1780879209 [0,2,0,0,0,0|1,0,0]=3 4395 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [0,2,0,0,0,0|1,0,0]=3 4396 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,2,0,0,0,0|0,0,0]=2 4397 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,2,0,0,0,0|1,0,0]=3 4398 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,2,0,0,0,0|1,0,0]=3 4399 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [0,2,0,0,0,0|1,0,0]=3 4400 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [0,2,0,0,0,0|1,0,0]=3 4401 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [0,2,0,0,0,0|1,0,0]=3 4402 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [0,2,0,0,0,0|0,0,0]=2 4403 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [0,2,0,0,0,0|0,0,0]=2 4404 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [0,2,0,0,0,0|0,0,0]=2 4405 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [0,2,0,0,0,0|0,0,0]=2 4406 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [0,2,0,0,0,0|0,0,0]=2 4407 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,2,0,0,0,0|1,0,0]=3 4408 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,2,0,0,0,0|1,0,0]=3 4409 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [0,2,0,0,0,0|1,0,0]=3 4410 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [0,2,0,0,0,0|1,0,0]=3 4411 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [0,2,0,0,0,0|1,0,0]=3 4412 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [0,2,0,0,0,0|1,0,0]=3 4413 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [0,2,0,0,0,0|0,0,0]=2 4414 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [0,2,0,0,0,0|0,0,0]=2 4415 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [0,2,0,0,0,0|1,0,0]=3 4416 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [0,2,0,0,0,0|1,0,0]=3 4417 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [0,2,0,0,0,0|1,0,0]=3 4418 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [0,2,0,0,0,0|1,0,0]=3 4419 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [0,2,0,0,0,0|0,0,0]=2 4420 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [0,2,0,0,0,0|0,0,0]=2 4421 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [0,2,0,0,0,0|1,0,0]=3 4422 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [0,2,0,0,0,0|1,0,0]=3 4423 B8R1.1 O=C1NC(CO1)CI MCULE-3725463438 [0,2,0,0,0,0|1,0,0]=3 4424 B8R1.1 O=C1NC(CO1)CI MCULE-8271591026 [0,2,0,0,0,0|1,0,0]=3 4425 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [0,2,0,0,0,0|1,0,0]=3 4426 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [0,2,0,0,0,0|1,0,0]=3 4427 B8R1.1 O=C1NCC(O1)CBr MCULE-3294572412 [0,2,0,0,0,0|1,0,0]=3 4428 B8R1.1 O=C1NCC(O1)CCl MCULE-6711754093 [0,2,0,0,0,0|1,0,0]=3 4429 B8R1.1 O=C1NCC(O1)CCl MCULE-6847066968 [0,2,0,0,0,0|1,0,0]=3 4430 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [0,2,0,0,0,0|1,0,0]=3 4431 B8R1.1 O=C1NCC(S1)CBr MCULE-9963419555 [0,2,0,0,0,0|1,1,0]=4 4432 B8R1.1 O=C1NC[C@@H](O1)CCl MCULE-4606501061 [0,2,0,0,0,0|1,0,0]=3 4433 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [0,2,0,0,0,0|1,0,0]=3 4434 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [0,2,0,0,0,0|1,0,0]=3 4435 B8R1.1 O=C1NC[C@H](O1)CCl MCULE-1912687608 [0,2,0,0,0,0|1,0,0]=3 4436 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [0,2,0,0,0,0|1,0,0]=3 4437 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [0,2,0,0,0,0|1,0,0]=3 4438 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [0,2,0,0,0,0|1,0,0]=3 4439 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [0,2,0,0,0,0|1,0,0]=3 4440 B8R1.1 O=C1N[C@H](CO1)CI MCULE-5817468950 [0,2,0,0,0,0|1,0,0]=3 4441 B8R1.1 O=C1N[C@H](CO1)CI MCULE-6940377154 [0,2,0,0,0,0|1,0,0]=3 4442 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [0,2,0,0,0,0|1,0,0]=3 4443 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [0,2,0,0,0,0|1,0,0]=3 4444 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,2,0,0,0,0|1,0,0]=3 4445 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,2,0,0,0,0|1,0,0]=3 4446 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,2,0,0,0,0|1,0,0]=3 4447 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,2,0,0,0,0|0,0,0]=2 4448 B8R1.1 O=C[C@@H]1CC(CN1)F MCULE-5331901113 [0,2,0,0,0,0|1,0,1]=4 4449 B8R1.1 O=C[C@@H]1CC(CN1)F MCULE-6102557843 [0,2,0,0,0,0|1,0,1]=4 4450 B8R1.1 OC1COC(C1)CI MCULE-9241971646 [0,2,0,0,0,0|1,0,1]=4 4451 B8R1.1 OCC1CC(CO1)O MCULE-4648895678 [0,2,0,0,0,0|0,0,2]=4 4452 B8R1.1 OC[C@@H]1C[C@@H](CO1)O MCULE-7875239623 [0,2,0,0,0,0|0,0,2]=4 4453 B8R1.1 OC[C@H]1C[C@@H](CO1)O MCULE-5801561749 [0,2,0,0,0,0|0,0,2]=4 4454 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4197376814 [0,2,0,0,0,0|0,0,2]=4 4455 B8R1.1 OC[C@H]1C[C@H](CO1)O MCULE-4573543387 [0,2,0,0,0,0|0,0,2]=4 4456 B8R1.1 [C@@H]1(COC(=O)C1)C=C MCULE-1356778810 [0,2,0,0,0,0|0,0,0]=2 4457 B8R1.1 [C@H]1(CNC(=O)O1)CCl MCULE-6032247892 [0,2,0,0,0,0|1,0,0]=3 4458 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [0,2,0,0,0,0|1,0,1]=4 4459 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [0,2,0,0,0,0|1,0,1]=4 4460 B8R1.7 C=C(C)C1=NCCO1 MCULE-8164273045 [0,2,0,0,0,0|2,0,0]=4 4461 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [0,2,0,0,0,0|1,0,0]=3 4462 B8R1.7 CC(=O)C1=NCCS1 MCULE-8548990347 [0,2,0,0,0,0|1,1,0]=4 4463 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [0,2,0,0,0,0|1,0,1]=4 4464 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [0,2,0,0,0,0|1,0,1]=4 4465 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [0,2,0,0,0,0|1,0,1]=4 4466 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [0,2,0,0,0,0|0,0,1]=3 4467 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [0,2,0,0,0,0|2,0,0]=4 4468 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [0,2,0,0,0,0|1,0,1]=4 4469 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [0,2,0,0,0,0|1,0,1]=4 4470 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [0,2,0,0,0,0|1,0,1]=4 4471 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [0,2,0,0,0,0|1,0,1]=4 4472 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [0,2,0,0,0,0|0,0,1]=3 4473 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [0,2,0,0,0,0|0,0,1]=3 4474 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [0,2,0,0,0,0|1,0,1]=4 4475 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [0,2,0,0,0,0|1,0,1]=4 4476 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [0,2,0,0,0,0|0,0,1]=3 4477 B8R1.7 CC(C)C1=NCCO1 MCULE-9619375777 [0,2,0,0,0,0|2,0,0]=4 4478 B8R1.7 CC(N)C1CCCO1 MCULE-2883137296 [0,2,0,0,0,0|1,0,1]=4 4479 B8R1.7 CC(N)C1CCCO1 MCULE-3041511194 [0,2,0,0,0,0|1,0,1]=4 4480 B8R1.7 CC(O)C1CCCO1 MCULE-2804362263 [0,2,0,0,0,0|0,0,2]=4 4481 B8R1.7 C[C@@H](O)[C@H]1CCCO1 MCULE-6393902221 [0,2,0,0,0,0|0,0,2]=4 4482 B8R1.7 C[C@H](N)C1CCCO1 MCULE-6245058799 [0,2,0,0,0,0|1,0,1]=4 4483 B8R1.7 C[C@H](N)C1CCCO1 MCULE-6470683195 [0,2,0,0,0,0|1,0,1]=4 4484 B8R1.7 C[C@H](O)C1CCCO1 MCULE-5402066981 [0,2,0,0,0,0|0,0,2]=4 4485 B8R1.7 C[C@H](O)[C@@H]1CCCO1 MCULE-3917713920 [0,2,0,0,0,0|0,0,2]=4 4486 B8R1.7 ClC(Cl)C1=NCCO1 MCULE-2847442808 [0,2,0,0,0,0|2,0,0]=4 4487 B8R1.7 N=C(N)C1CCCO1 MCULE-1348627071 [0,2,0,0,0,0|1,0,1]=4 4488 B8R1.7 N=C(N)C1CCCO1 MCULE-4359589378 [0,2,0,0,0,0|1,0,1]=4 4489 B8R1.7 NC(=O)C1=NCCN1 MCULE-8784849906 [0,2,0,0,0,0|2,0,0]=4 4490 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [0,2,0,0,0,0|1,0,1]=4 4491 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [0,2,0,0,0,0|1,0,1]=4 4492 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [0,2,0,0,0,0|1,0,1]=4 4493 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [0,2,0,0,0,0|0,0,1]=3 4494 B8R1.7 NC(=O)N1CCCC1 MCULE-2282948234 [0,2,0,0,0,0|2,0,0]=4 4495 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [0,2,0,0,0,0|1,0,1]=4 4496 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [0,2,0,0,0,0|1,0,1]=4 4497 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [0,2,0,0,0,0|1,0,1]=4 4498 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [0,2,0,0,0,0|1,0,1]=4 4499 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [0,2,0,0,0,0|0,0,1]=3 4500 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [0,2,0,0,0,0|0,0,1]=3 4501 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [0,2,0,0,0,0|1,0,1]=4 4502 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [0,2,0,0,0,0|1,0,1]=4 4503 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [0,2,0,0,0,0|1,0,1]=4 4504 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [0,2,0,0,0,0|1,0,1]=4 4505 B8R1.7 NC(=S)C1CCCO1 MCULE-7906949480 [0,2,0,0,0,0|0,1,1]=4 4506 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [0,2,0,0,0,0|1,0,1]=4 4507 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [0,2,0,0,0,0|0,0,1]=3 4508 B8R1.7 O=C(Cl)N1CCCC1 MCULE-2201729080 [0,2,0,0,0,0|2,0,0]=4 4509 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,2,0,0,0,0|1,0,0]=3 4510 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [0,2,0,0,0,0|0,0,1]=3 4511 B8R1.7 O=C(O)C1=CCCS1 MCULE-9231409703 [0,2,0,0,0,0|0,1,1]=4 4512 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [0,2,0,0,0,0|2,0,0]=4 4513 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [0,2,0,0,0,0|2,0,0]=4 4514 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [0,2,0,0,0,0|2,0,0]=4 4515 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [0,2,0,0,0,0|2,0,0]=4 4516 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [0,2,0,0,0,0|2,0,0]=4 4517 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,2,0,0,0,0|1,0,0]=3 4518 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [0,2,0,0,0,0|2,0,0]=4 4519 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,2,0,0,0,0|1,0,1]=4 4520 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,2,0,0,0,0|1,0,1]=4 4521 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,2,0,0,0,0|1,0,1]=4 4522 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,2,0,0,0,0|1,0,1]=4 4523 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,2,0,0,0,0|1,0,1]=4 4524 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [0,2,0,0,0,0|0,0,1]=3 4525 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [0,2,0,0,0,0|0,0,1]=3 4526 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,2,0,0,0,0|0,1,1]=4 4527 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [0,2,0,0,0,0|2,0,0]=4 4528 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,2,0,0,0,0|1,0,1]=4 4529 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,2,0,0,0,0|1,0,1]=4 4530 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,2,0,0,0,0|1,0,1]=4 4531 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,2,0,0,0,0|1,0,1]=4 4532 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [0,2,0,0,0,0|0,0,1]=3 4533 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [0,2,0,0,0,0|0,0,1]=3 4534 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,2,0,0,0,0|1,0,1]=4 4535 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,2,0,0,0,0|1,0,1]=4 4536 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [0,2,0,0,0,0|0,0,1]=3 4537 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [0,2,0,0,0,0|0,0,1]=3 4538 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,2,0,0,0,0|1,0,1]=4 4539 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,2,0,0,0,0|1,0,1]=4 4540 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,2,0,0,0,0|1,0,1]=4 4541 B8R1.7 O=N(=O)C1=NOCC1 MCULE-6252838525 [0,2,0,0,0,0|2,0,0]=4 4542 B8R1.7 O=N(=O)C1CCCC1 MCULE-6499665829 [0,2,0,0,0,0|1,0,1]=4 4543 B8R1.7 O=S([O-])C1CCCC1 MCULE-4973639131 [0,2,0,0,0,0|1,0,1]=4 4544 B8R1.7 O=S([O-])C1CCCC1 MCULE-9227389818 [0,2,0,0,0,0|1,0,1]=4 4545 B8R1.7 OB(O)C1=CCCC1 MCULE-9719215712 [0,2,0,0,0,0|1,0,1]=4 4546 B8R1.7 OB(O)C1=CCCO1 MCULE-7551054803 [0,2,0,0,0,0|0,0,2]=4 4547 B8R1.8 BrCCC1CCCO1 MCULE-6674503285 [0,2,0,0,0,0|1,0,1]=4 4548 B8R1.8 CCCC1=NCCO1 MCULE-4941877816 [0,2,0,0,0,0|2,0,0]=4 4549 B8R1.8 CCOC1=NCCC1 MCULE-7392104128 [0,2,0,0,0,0|1,0,1]=4 4550 B8R1.8 CCOC1CCCO1 MCULE-8408094445 [0,2,0,0,0,0|0,0,2]=4 4551 B8R1.8 CNCC1CCCO1 MCULE-9343447516 [0,2,0,0,0,0|1,0,1]=4 4552 B8R1.8 CNC[C@H]1CCCO1 MCULE-4511797485 [0,2,0,0,0,0|1,0,1]=4 4553 B8R1.8 ClCCC1CCCO1 MCULE-5564811515 [0,2,0,0,0,0|1,0,1]=4 4554 B8R1.8 N#C/N=C\1/CCCN1 MCULE-7996201780 [0,2,0,0,0,0|2,0,0]=4 4555 B8R1.8 N#CC=C1CCCC1 MCULE-5651918690 [0,2,0,0,0,0|2,0,0]=4 4556 B8R1.8 N#CCC1=CCCC1 MCULE-6127163874 [0,2,0,0,0,0|2,0,0]=4 4557 B8R1.8 N#CCC1CCCO1 MCULE-4086843466 [0,2,0,0,0,0|1,0,1]=4 4558 B8R1.8 N#CN=C1NCCO1 MCULE-1884083155 [0,2,0,0,0,0|2,0,0]=4 4559 B8R1.8 NCCC1CCCO1 MCULE-3914619069 [0,2,0,0,0,0|1,0,1]=4 4560 B8R1.8 NCC[C@H]1CCCO1 MCULE-2485674670 [0,2,0,0,0,0|1,0,1]=4 4561 B8R1.8 NCC[C@H]1CCCO1 MCULE-3778854223 [0,2,0,0,0,0|1,0,1]=4 4562 B8R1.8 NNCC1CCCO1 MCULE-1236160453 [0,2,0,0,0,0|1,0,1]=4 4563 B8R1.8 NNCC1CCCO1 MCULE-3775714919 [0,2,0,0,0,0|1,0,1]=4 4564 B8R1.8 O=C=NC1CCCC1 MCULE-6237253816 [0,2,0,0,0,0|1,0,1]=4 4565 B8R1.8 O=CCC1CCCC1 MCULE-1337960294 [0,2,0,0,0,0|1,0,1]=4 4566 B8R1.8 O=CCC1OCCO1 MCULE-1412194468 [0,2,0,0,0,0|1,0,1]=4 4567 B8R1.8 O=CCN1CCCC1 MCULE-4391534239 [0,2,0,0,0,0|2,0,0]=4 4568 B8R1.8 O=CNC1CCCC1 MCULE-1453368274 [0,2,0,0,0,0|1,0,1]=4 4569 B8R1.8 OCCC1CCCO1 MCULE-4437776676 [0,2,0,0,0,0|0,0,2]=4 4570 B8R1.11 C=CN1CCCC1=O MCULE-3025814103 [0,2,0,0,0,0|1,0,0]=3 4571 B8R1.11 CC1OCCC1C=O MCULE-5505705817 [0,2,0,0,0,0|1,0,1]=4 4572 B8R1.11 CC1OCCC1CBr MCULE-2301764647 [0,2,0,0,0,0|1,0,1]=4 4573 B8R1.11 CC1OCCC1CN MCULE-8319428027 [0,2,0,0,0,0|1,0,1]=4 4574 B8R1.11 CC1OCCC1CN MCULE-9389911755 [0,2,0,0,0,0|1,0,1]=4 4575 B8R1.11 CC1OCCC1CO MCULE-4507531306 [0,2,0,0,0,0|1,0,1]=4 4576 B8R1.11 CCC1CCCC1=O MCULE-1884299455 [0,2,0,0,0,0|1,0,0]=3 4577 B8R1.11 CCC1CCNC1=O MCULE-8307536027 [0,2,0,0,0,0|1,0,0]=3 4578 B8R1.11 CCC1CCOC1=O MCULE-2375464273 [0,2,0,0,0,0|0,0,0]=2 4579 B8R1.11 CCC1COCC1=O MCULE-5486171882 [0,2,0,0,0,0|2,0,0]=4 4580 B8R1.11 CCN1CCCC1=O MCULE-7206309773 [0,2,0,0,0,0|1,0,0]=3 4581 B8R1.11 CCN1CCCC1=O MCULE-7415495937 [0,2,0,0,0,0|1,0,0]=3 4582 B8R1.11 CCN1CCNC1=O MCULE-8168665695 [0,2,0,0,0,0|2,0,0]=4 4583 B8R1.11 CCN1CNCC1=O MCULE-2327338525 [0,2,0,0,0,0|2,0,0]=4 4584 B8R1.11 CC[C@@H]1OCC[C@H]1N MCULE-6631183888 [0,2,0,0,0,0|1,0,1]=4 4585 B8R1.11 CN1CCC[C@H]1C=O MCULE-5852490757 [0,2,0,0,0,0|1,0,1]=4 4586 B8R1.11 CNC1CCNC1=O MCULE-1302732570 [0,2,0,0,0,0|1,0,0]=3 4587 B8R1.11 CNC1CCNC1=O MCULE-7065523709 [0,2,0,0,0,0|1,0,0]=3 4588 B8R1.11 COC1=CCCC1=O MCULE-2849263860 [0,2,0,0,0,0|1,0,1]=4 4589 B8R1.11 COC1CCCC1=O MCULE-2741778082 [0,2,0,0,0,0|1,0,0]=3 4590 B8R1.11 COC1CCOC1=O MCULE-6321591157 [0,2,0,0,0,0|0,0,0]=2 4591 B8R1.11 COC1COCC1=O MCULE-2097991610 [0,2,0,0,0,0|2,0,0]=4 4592 B8R1.11 C[C@@H]1OCC[C@H]1CN MCULE-1134549336 [0,2,0,0,0,0|1,0,1]=4 4593 B8R1.11 C[C@@H]1OCC[C@H]1CN MCULE-7039232701 [0,2,0,0,0,0|1,0,1]=4 4594 B8R1.11 C[C@@H]1OCC[C@H]1CO MCULE-2815374259 [0,2,0,0,0,0|1,0,1]=4 4595 B8R1.11 C[C@H]1OCC[C@H]1CN MCULE-1227545702 [0,2,0,0,0,0|1,0,1]=4 4596 B8R1.11 C[C@H]1OCC[C@H]1CN MCULE-9284060815 [0,2,0,0,0,0|1,0,1]=4 4597 B8R1.11 C[C@H]1OCC[C@H]1CO MCULE-8680094992 [0,2,0,0,0,0|1,0,1]=4 4598 B8R1.11 N#CC1=C(CCC1)N MCULE-8457887126 [0,2,0,0,0,0|2,0,0]=4 4599 B8R1.11 N#CC1=C(CCC1)O MCULE-3061739573 [0,2,0,0,0,0|1,0,1]=4 4600 B8R1.11 N#CC1=C(OCC1)N MCULE-5262860193 [0,2,0,0,0,0|1,0,1]=4 4601 B8R1.11 N#CC1CCCC1=O MCULE-6254621629 [0,2,0,0,0,0|1,0,0]=3 4602 B8R1.11 N#CC1CCOC1=O MCULE-4716981850 [0,2,0,0,0,0|0,0,0]=2 4603 B8R1.11 N#CC1COCC1=O MCULE-8235489299 [0,2,0,0,0,0|2,0,0]=4 4604 B8R1.11 N#CC1CSCC1=O MCULE-5156436630 [0,2,0,0,0,0|2,0,0]=4 4605 B8R1.11 N#C[C@H]1COCC1=O MCULE-3727267765 [0,2,0,0,0,0|2,0,0]=4 4606 B8R1.11 N#C[C@H]1CSCC1=O MCULE-1823296344 [0,2,0,0,0,0|2,0,0]=4 4607 B8R1.11 NCC1CCCC1=O MCULE-4144323636 [0,2,0,0,0,0|1,0,0]=3 4608 B8R1.11 NCC1CCCC1=O MCULE-8761719757 [0,2,0,0,0,0|1,0,0]=3 4609 B8R1.11 NCC1CCOC1=O MCULE-5843107965 [0,2,0,0,0,0|0,0,0]=2 4610 B8R1.11 NCC1CCOC1=O MCULE-6077637171 [0,2,0,0,0,0|0,0,0]=2 4611 B8R1.11 NOC1CCOC1=O MCULE-1912651031 [0,2,0,0,0,0|0,0,0]=2 4612 B8R1.11 O=C1CCC=C1CO MCULE-5949194155 [0,2,0,0,0,0|1,0,1]=4 4613 B8R1.11 O=C1CCCC1CO MCULE-9171970685 [0,2,0,0,0,0|1,0,0]=3 4614 B8R1.11 O=C1CCCN1CBr MCULE-1337183945 [0,2,0,0,0,0|1,0,0]=3 4615 B8R1.11 O=C1CCCN1CCl MCULE-6204630639 [0,2,0,0,0,0|1,0,0]=3 4616 B8R1.11 O=C1CCCN1CO MCULE-6508920438 [0,2,0,0,0,0|1,0,0]=3 4617 B8R1.11 O=C1CNCN1CO MCULE-1880077159 [0,2,0,0,0,0|2,0,0]=4 4618 B8R1.11 O=C1CNCN1CO MCULE-4265247225 [0,2,0,0,0,0|2,0,0]=4 4619 B8R1.11 O=C1NCCC1CO MCULE-8442279545 [0,2,0,0,0,0|1,0,0]=3 4620 B8R1.11 O=C1NCC[C@@H]1CO MCULE-5339343040 [0,2,0,0,0,0|1,0,0]=3 4621 B8R1.11 O=C1OCCC1=NO MCULE-1241579763 [0,2,0,0,0,0|0,0,1]=3 4622 B8R1.11 O=CC1=C(CCC1)Cl MCULE-2468041387 [0,2,0,0,0,0|1,0,0]=3 4623 B8R1.11 O=CC1CCOC1=O MCULE-6358043470 [0,2,0,0,0,0|0,0,0]=2 4624 B8R1.11 O=CN1CCCC1=O MCULE-1097328464 [0,2,0,0,0,0|1,0,0]=3 4625 B8R1.11 OCC1OCCC1O MCULE-2601628372 [0,2,0,0,0,0|0,0,2]=4 4626 B8R1.11 OC[C@H]1OCC[C@@H]1O MCULE-4089527318 [0,2,0,0,0,0|0,0,2]=4 4627 B8R1.11 OC[C@H]1OCC[C@@H]1O MCULE-9198335558 [0,2,0,0,0,0|0,0,2]=4 4628 B8R1.11 [C@H]1(CCO[C@@H]1C)CN MCULE-6798476466 [0,2,0,0,0,0|1,0,1]=4 4629 B8R1.11 [C@H]1(CCO[C@@H]1C)CN MCULE-9186622307 [0,2,0,0,0,0|1,0,1]=4 4630 B8R1.11 [C@H]1(CCO[C@@H]1C)CO MCULE-5629055834 [0,2,0,0,0,0|1,0,1]=4 4631 B8R1.52 C#CC1(CCCO1)C MCULE-7216729961 [0,2,0,0,0,0|1,0,1]=4 4632 B8R1.52 CC1(CCCC1)C=O MCULE-2794420297 [0,2,0,0,0,0|1,0,1]=4 4633 B8R1.52 CC1(CCCO1)C#N MCULE-1273023182 [0,2,0,0,0,0|1,0,1]=4 4634 B8R1.52 CC1(CCCO1)C=O MCULE-4619641299 [0,2,0,0,0,0|0,0,1]=3 4635 B8R1.52 CC1(CCCO1)CN MCULE-2071513677 [0,2,0,0,0,0|1,0,1]=4 4636 B8R1.52 CC1(CCCO1)CN MCULE-4256725320 [0,2,0,0,0,0|1,0,1]=4 4637 B8R1.52 CC1(CCCO1)CO MCULE-9259109857 [0,2,0,0,0,0|0,0,2]=4 4638 B8R1.52 CC1(CCCS1)C=O MCULE-9560124012 [0,2,0,0,0,0|0,1,1]=4 4639 B8R1.52 C[C@@]1(CCCO1)CN MCULE-1372081592 [0,2,0,0,0,0|1,0,1]=4 4640 B8R1.52 C[C@@]1(CCCO1)CN MCULE-6512781753 [0,2,0,0,0,0|1,0,1]=4 4641 B8R1.52 O=CC1(CCCC1)F MCULE-6748021302 [0,2,0,0,0,0|1,0,1]=4 4642 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,2,0,0,0,0|0,0,2]=4 4643 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [0,2,0,0,0,0|0,0,1]=3 4644 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,2,0,0,0,0|1,0,1]=4 4645 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [0,2,0,0,0,0|0,0,2]=4 4646 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [0,2,0,0,0,0|0,0,2]=4 4647 B8R1.18 CC1=CC(CC1=O)O MCULE-6348285774 [0,2,0,0,0,0|1,0,1]=4 4648 B8R1.18 CC1=CC(OC1=O)Br MCULE-3845731354 [0,2,0,0,0,0|0,0,2]=4 4649 B8R1.18 CC1=CC(OC1=O)Cl MCULE-5657964064 [0,2,0,0,0,0|0,0,2]=4 4650 B8R1.18 CC1=CC(OC1=O)O MCULE-9085952542 [0,2,0,0,0,0|0,0,2]=4 4651 B8R1.18 CC1CC(=O)C(O1)C MCULE-9648127298 [0,2,0,0,0,0|2,0,0]=4 4652 B8R1.18 CC1CC(=O)CN1C MCULE-3142275674 [0,2,0,0,0,0|2,0,0]=4 4653 B8R1.18 CC1CC(=O)N(C1)C MCULE-2164356802 [0,2,0,0,0,0|1,0,0]=3 4654 B8R1.18 CC1CC(=O)N(N1)C MCULE-3951114099 [0,2,0,0,0,0|2,0,0]=4 4655 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,2,0,0,0,0|1,0,1]=4 4656 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,2,0,0,0,0|0,0,1]=3 4657 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [0,2,0,0,0,0|0,0,0]=2 4658 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [0,2,0,0,0,0|0,0,0]=2 4659 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [0,2,0,0,0,0|0,0,0]=2 4660 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [0,2,0,0,0,0|0,0,0]=2 4661 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [0,2,0,0,0,0|0,0,0]=2 4662 B8R1.18 CC1CC(C(O1)C)N MCULE-3274169856 [0,2,0,0,0,0|1,0,1]=4 4663 B8R1.18 CC1CC(C(O1)C)N MCULE-9455862703 [0,2,0,0,0,0|1,0,1]=4 4664 B8R1.18 CC1CC(C(O1)C)S MCULE-4786793091 [0,2,0,0,0,0|1,0,1]=4 4665 B8R1.18 CC1CN(CC1=O)C MCULE-3780339739 [0,2,0,0,0,0|2,0,0]=4 4666 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,2,0,0,0,0|1,0,1]=4 4667 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [0,2,0,0,0,0|1,0,0]=3 4668 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,2,0,0,0,0|1,0,1]=4 4669 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,2,0,0,0,0|1,0,1]=4 4670 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [0,2,0,0,0,0|1,0,0]=3 4671 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [0,2,0,0,0,0|0,0,2]=4 4672 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,2,0,0,0,0|1,0,1]=4 4673 B8R1.18 CC1OC(=O)OC1C MCULE-1302025126 [0,2,0,0,0,0|1,0,0]=3 4674 B8R1.18 CC1OS(=O)OC1C MCULE-8578188591 [0,2,0,0,0,0|2,0,0]=4 4675 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,2,0,0,0,0|1,0,1]=4 4676 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,2,0,0,0,0|1,0,1]=4 4677 B8R1.18 CN1CC(CC1=O)I MCULE-4945824576 [0,2,0,0,0,0|1,0,0]=3 4678 B8R1.18 CN1CC(CC1=O)N MCULE-2463085778 [0,2,0,0,0,0|1,0,0]=3 4679 B8R1.18 CN1CC(CC1=O)N MCULE-2958084133 [0,2,0,0,0,0|1,0,0]=3 4680 B8R1.18 CN1CC(CC1=O)O MCULE-3900359646 [0,2,0,0,0,0|1,0,0]=3 4681 B8R1.18 CN1C[C@@H](CC1=O)N MCULE-5898871508 [0,2,0,0,0,0|1,0,0]=3 4682 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-6983684031 [0,2,0,0,0,0|1,0,0]=3 4683 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-9036883490 [0,2,0,0,0,0|1,0,0]=3 4684 B8R1.18 CN1C[C@H](CC1=O)N MCULE-6260844558 [0,2,0,0,0,0|1,0,0]=3 4685 B8R1.18 CN1C[C@H](CC1=O)N MCULE-9464195407 [0,2,0,0,0,0|1,0,0]=3 4686 B8R1.18 CN1C[C@H](CC1=O)O MCULE-1129246553 [0,2,0,0,0,0|1,0,0]=3 4687 B8R1.18 CN1C[C@H](CC1=O)O MCULE-3762455862 [0,2,0,0,0,0|1,0,0]=3 4688 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,2,0,0,0,0|1,0,1]=4 4689 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [0,2,0,0,0,0|1,0,0]=3 4690 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,2,0,0,0,0|1,0,1]=4 4691 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,2,0,0,0,0|1,0,1]=4 4692 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,2,0,0,0,0|0,0,1]=3 4693 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [0,2,0,0,0,0|0,0,0]=2 4694 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,2,0,0,0,0|1,0,1]=4 4695 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,2,0,0,0,0|1,0,1]=4 4696 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,2,0,0,0,0|1,0,1]=4 4697 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,2,0,0,0,0|1,0,1]=4 4698 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,2,0,0,0,0|0,0,1]=3 4699 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,2,0,0,0,0|0,0,1]=3 4700 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,2,0,0,0,0|1,0,1]=4 4701 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,2,0,0,0,0|1,0,1]=4 4702 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,2,0,0,0,0|0,0,1]=3 4703 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,2,0,0,0,0|0,0,1]=3 4704 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,2,0,0,0,0|0,0,1]=3 4705 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,2,0,0,0,0|0,0,1]=3 4706 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,2,0,0,0,0|1,0,1]=4 4707 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,2,0,0,0,0|1,0,1]=4 4708 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,2,0,0,0,0|0,0,1]=3 4709 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,2,0,0,0,0|0,0,1]=3 4710 B8R1.18 O=C1C=C(C(O1)O)Cl MCULE-9764142144 [0,2,0,0,0,0|0,0,2]=4 4711 B8R1.18 O=C1CC(=C(O1)Br)O MCULE-8632709834 [0,2,0,0,0,0|0,0,2]=4 4712 B8R1.18 O=C1NC(C(N1)O)O MCULE-4925329931 [0,2,0,0,0,0|2,0,0]=4 4713 B8R1.18 O=C1OC(C(O1)Cl)Cl MCULE-2346794223 [0,2,0,0,0,0|1,0,0]=3 4714 B8R1.18 O=C1O[C@@H]([C@H](O1)F)F MCULE-7614704509 [0,2,0,0,0,0|1,0,0]=3 4715 B8R1.50 CC1=C(C(=O)CC1)Br MCULE-4093496442 [0,2,0,0,0,0|1,0,1]=4 4716 B8R1.50 CC1=C(C(=O)CC1)C MCULE-6370073595 [0,2,0,0,0,0|1,0,1]=4 4717 B8R1.50 CC1=C(C(=O)CC1)O MCULE-2968247012 [0,2,0,0,0,0|1,0,1]=4 4718 B8R1.50 CC1=C(C(=O)CC1)O MCULE-9147894168 [0,2,0,0,0,0|1,0,1]=4 4719 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,2,0,0,0,0|0,0,2]=4 4720 B8R1.50 CC1=C(CCC1=O)O MCULE-6367252690 [0,2,0,0,0,0|1,0,1]=4 4721 B8R1.50 CC1=C(COC1=O)Br MCULE-6953448957 [0,2,0,0,0,0|0,0,2]=4 4722 B8R1.50 CC1=C(COC1=O)O MCULE-4822806082 [0,2,0,0,0,0|0,0,2]=4 4723 B8R1.50 CC1=NOC(=O)C1C MCULE-6668573558 [0,2,0,0,0,0|1,0,1]=4 4724 B8R1.50 CC1C(=O)CCC1=O MCULE-4418458735 [0,2,0,0,0,0|1,0,1]=4 4725 B8R1.50 CC1C(=O)CCN1C MCULE-8191851293 [0,2,0,0,0,0|2,0,0]=4 4726 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,2,0,0,0,0|0,0,1]=3 4727 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [0,2,0,0,0,0|1,0,0]=3 4728 B8R1.50 CC1CCC(=O)N1C MCULE-7405072604 [0,2,0,0,0,0|1,0,0]=3 4729 B8R1.50 CC1CCC(C1=O)C MCULE-1473375660 [0,2,0,0,0,0|1,0,0]=3 4730 B8R1.50 CC1CCN(C1=O)C MCULE-1499213360 [0,2,0,0,0,0|1,0,0]=3 4731 B8R1.50 CC1CNC(=O)C1C MCULE-7439537346 [0,2,0,0,0,0|1,0,0]=3 4732 B8R1.50 CC1NCN(C1=O)C MCULE-2390134887 [0,2,0,0,0,0|2,0,0]=4 4733 B8R1.50 CC1NCN(C1=O)C MCULE-7463423136 [0,2,0,0,0,0|2,0,0]=4 4734 B8R1.50 CC1OCC(=O)C1C MCULE-5834923125 [0,2,0,0,0,0|2,0,0]=4 4735 B8R1.50 CN1C(=O)CCC1=O MCULE-6726005566 [0,2,0,0,0,0|1,0,1]=4 4736 B8R1.50 CN1C(=O)CCC1O MCULE-1070053575 [0,2,0,0,0,0|1,0,0]=3 4737 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,2,0,0,0,0|1,0,1]=4 4738 B8R1.50 CN1CCC(=O)C1=O MCULE-7541521172 [0,2,0,0,0,0|1,0,1]=4 4739 B8R1.50 CN1CCC(C1=O)Br MCULE-9857530514 [0,2,0,0,0,0|1,0,0]=3 4740 B8R1.50 CN1CCC(C1=O)Cl MCULE-5732339719 [0,2,0,0,0,0|1,0,0]=3 4741 B8R1.50 CN1CCC(C1=O)N MCULE-2896853309 [0,2,0,0,0,0|1,0,0]=3 4742 B8R1.50 CN1CCC(C1=O)N MCULE-5951659989 [0,2,0,0,0,0|1,0,0]=3 4743 B8R1.50 CN1CCC(C1=O)O MCULE-6867263123 [0,2,0,0,0,0|1,0,0]=3 4744 B8R1.50 CN1CCN(C1=O)C MCULE-4012400107 [0,2,0,0,0,0|2,0,0]=4 4745 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-3820062607 [0,2,0,0,0,0|1,0,0]=3 4746 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-7270649984 [0,2,0,0,0,0|1,0,0]=3 4747 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-8015311112 [0,2,0,0,0,0|1,0,0]=3 4748 B8R1.50 CN1CC[C@H](C1=O)N MCULE-1278006515 [0,2,0,0,0,0|1,0,0]=3 4749 B8R1.50 CN1CC[C@H](C1=O)N MCULE-3751335664 [0,2,0,0,0,0|1,0,0]=3 4750 B8R1.50 CN1CC[C@H](C1=O)N MCULE-4883949932 [0,2,0,0,0,0|1,0,0]=3 4751 B8R1.50 CN1CC[C@H](C1=O)N MCULE-7143065464 [0,2,0,0,0,0|1,0,0]=3 4752 B8R1.50 NC1CCN(C1=O)O MCULE-3774736319 [0,2,0,0,0,0|1,0,0]=3 4753 B8R1.50 NN1C(=O)CCC1=O MCULE-4432056181 [0,2,0,0,0,0|1,0,1]=4 4754 B8R1.50 NN1C(=O)CCC1=O MCULE-8224510852 [0,2,0,0,0,0|1,0,1]=4 4755 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O MCULE-6840872048 [0,2,0,0,0,0|1,0,0]=3 4756 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-1260256164 [0,2,0,0,0,0|1,0,0]=3 4757 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-9067133595 [0,2,0,0,0,0|1,0,0]=3 4758 B8R1.50 N[C@H]1CCN(C1=O)O MCULE-1056806464 [0,2,0,0,0,0|1,0,0]=3 4759 B8R1.50 O=C1CCC(=C1F)O MCULE-4719137849 [0,2,0,0,0,0|1,0,1]=4 4760 B8R1.50 O=C1CCC(=O)C1Br MCULE-7463233898 [0,2,0,0,0,0|1,0,1]=4 4761 B8R1.50 O=C1CCC(=O)C1Cl MCULE-9440848782 [0,2,0,0,0,0|1,0,1]=4 4762 B8R1.50 O=C1CCC(=O)N1Br MCULE-6561724377 [0,2,0,0,0,0|1,0,1]=4 4763 B8R1.50 O=C1CCC(=O)N1Cl MCULE-3093539402 [0,2,0,0,0,0|1,0,1]=4 4764 B8R1.50 O=C1CCC(=O)N1I MCULE-8261967194 [0,2,0,0,0,0|1,0,1]=4 4765 B8R1.50 O=C1CCC(=O)N1O MCULE-5478278340 [0,2,0,0,0,0|1,0,1]=4 4766 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,2,0,0,0,0|0,0,1]=3 4767 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,2,0,0,0,0|0,0,1]=3 4768 B8R1.50 O=C1OCC(=C1Br)Br MCULE-4636963042 [0,2,0,0,0,0|0,0,2]=4 4769 B8R1.50 O=C1OCC(=C1Br)O MCULE-3463044896 [0,2,0,0,0,0|0,0,2]=4 4770 B8R1.50 O=C1OCC(=C1Cl)Cl MCULE-1730099484 [0,2,0,0,0,0|0,0,2]=4 4771 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [0,2,0,0,0,0|0,0,0]=2 4772 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-5447777048 [0,2,0,0,0,0|0,0,0]=2 4773 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-8691985034 [0,2,0,0,0,0|0,0,0]=2 4774 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [0,2,0,0,0,0|0,0,0]=2 4775 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [0,2,0,0,0,0|0,0,0]=2 4776 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [0,2,0,0,0,0|0,0,0]=2 4777 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [0,2,0,0,0,0|0,0,0]=2 4778 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [0,2,0,0,0,0|0,0,0]=2 4779 B8R1.50 OC1COC(C1O)O MCULE-2562953459 [0,2,0,0,0,0|0,0,2]=4 4780 B8R1.50 OC1OC[C@@H]([C@H]1O)O MCULE-4484765937 [0,2,0,0,0,0|0,0,2]=4 4781 B8R1.50 OC1OC[C@H]([C@@H]1O)O MCULE-4663451850 [0,2,0,0,0,0|0,0,2]=4 4782 B8R1.51 C=C1COC(O1)(C)C MCULE-6956184576 [0,2,0,0,0,0|2,0,0]=4 4783 B8R1.51 CC1(C=CC(=O)C1)C MCULE-2691948275 [0,2,0,0,0,0|1,0,1]=4 4784 B8R1.51 CC1(CC(=O)CN1)C MCULE-3002354818 [0,2,0,0,0,0|2,0,0]=4 4785 B8R1.51 CC1(CC(=O)CO1)C MCULE-3813236339 [0,2,0,0,0,0|2,0,0]=4 4786 B8R1.51 CC1(CC(=O)CS1)C MCULE-8119393989 [0,2,0,0,0,0|2,0,0]=4 4787 B8R1.51 CC1(CC(=O)NN1)C MCULE-3949987986 [0,2,0,0,0,0|2,0,0]=4 4788 B8R1.51 CC1(CC(=O)NO1)C MCULE-2107007864 [0,2,0,0,0,0|2,0,0]=4 4789 B8R1.51 CC1(CC(CO1)Br)C MCULE-6264816299 [0,2,0,0,0,0|1,0,1]=4 4790 B8R1.51 CC1(CC(CO1)N)C MCULE-7633375889 [0,2,0,0,0,0|1,0,1]=4 4791 B8R1.51 CC1(CC(CO1)N)C MCULE-7644576148 [0,2,0,0,0,0|1,0,1]=4 4792 B8R1.51 CC1(CC(CO1)O)C MCULE-6020499551 [0,2,0,0,0,0|1,0,1]=4 4793 B8R1.51 CC1(CC(CO1)S)C MCULE-1857889655 [0,2,0,0,0,0|1,0,1]=4 4794 B8R1.51 CC1(CCC(=O)C1)C MCULE-9814375082 [0,2,0,0,0,0|1,0,0]=3 4795 B8R1.51 CC1(CCC(=O)N1)C MCULE-2538104334 [0,2,0,0,0,0|1,0,0]=3 4796 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [0,2,0,0,0,0|0,0,0]=2 4797 B8R1.51 CC1(CCC(O1)O)C MCULE-7092868347 [0,2,0,0,0,0|0,0,2]=4 4798 B8R1.51 CC1(CN=C(C1)N)C MCULE-2728105590 [0,2,0,0,0,0|2,0,0]=4 4799 B8R1.51 CC1(CN=C(C1)N)C MCULE-9014086278 [0,2,0,0,0,0|2,0,0]=4 4800 B8R1.51 CC1(CN=C(O1)N)C MCULE-6517199560 [0,2,0,0,0,0|2,0,0]=4 4801 B8R1.51 CC1(CNC(=O)C1)C MCULE-1184902754 [0,2,0,0,0,0|1,0,0]=3 4802 B8R1.51 CC1(CNC(=O)C1)O MCULE-3317128471 [0,2,0,0,0,0|1,0,0]=3 4803 B8R1.51 CC1(CNC(=O)N1)C MCULE-2885809296 [0,2,0,0,0,0|2,0,0]=4 4804 B8R1.51 CC1(CNC(=O)O1)C MCULE-9188826896 [0,2,0,0,0,0|1,0,0]=3 4805 B8R1.51 CC1(COC(=N1)N)C MCULE-6966870092 [0,2,0,0,0,0|2,0,0]=4 4806 B8R1.51 CC1(COC(=O)C1)C MCULE-2810911497 [0,2,0,0,0,0|0,0,0]=2 4807 B8R1.51 CC1(COC(=O)N1)C MCULE-9709457440 [0,2,0,0,0,0|1,0,0]=3 4808 B8R1.51 CC1(COC(=S)N1)C MCULE-2461637364 [0,2,0,0,0,0|1,1,0]=4 4809 B8R1.51 CC1(NCC(=O)N1)C MCULE-4375597060 [0,2,0,0,0,0|2,0,0]=4 4810 B8R1.51 CC1(OCC(=O)O1)C MCULE-5121540413 [0,2,0,0,0,0|1,0,0]=3 4811 B8R1.51 CC1=NC(CO1)(C)C MCULE-5229270650 [0,2,0,0,0,0|2,0,0]=4 4812 B8R1.51 CC1CCS(=O)(=O)C1 MCULE-8205416735 [0,2,0,0,0,0|2,0,0]=4 4813 B8R1.51 CC1CCS(=O)(=O)N1 MCULE-7593233575 [0,2,0,0,0,0|2,0,0]=4 4814 B8R1.51 CC1CCS(=O)(=O)O1 MCULE-3194494728 [0,2,0,0,0,0|1,0,0]=3 4815 B8R1.51 CC1CNS(=O)(=O)C1 MCULE-2299608411 [0,2,0,0,0,0|2,0,0]=4 4816 B8R1.51 CC1COS(=O)(=O)C1 MCULE-3208476537 [0,2,0,0,0,0|1,0,0]=3 4817 B8R1.51 CC1COS(=O)(=O)O1 MCULE-1582385826 [0,2,0,0,0,0|2,0,0]=4 4818 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,2,0,0,0,0|1,0,0]=3 4819 B8R1.51 C[C@@H]1COS(=O)(=O)O1 MCULE-8592617135 [0,2,0,0,0,0|2,0,0]=4 4820 B8R1.51 C[C@@H]1COS(=O)(=O)O1 MCULE-8834088750 [0,2,0,0,0,0|2,0,0]=4 4821 B8R1.51 C[C@H]1COS(=O)(=O)O1 MCULE-3969026002 [0,2,0,0,0,0|2,0,0]=4 4822 B8R1.51 C[C@H]1COS(=O)(=O)O1 MCULE-5192877040 [0,2,0,0,0,0|2,0,0]=4 4823 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-3664794949 [0,2,0,0,0,0|2,0,0]=4 4824 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-4987844102 [0,2,0,0,0,0|2,0,0]=4 4825 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-6173061448 [0,2,0,0,0,0|2,0,0]=4 4826 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-8024346240 [0,2,0,0,0,0|2,0,0]=4 4827 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-5491077502 [0,2,0,0,0,0|2,0,0]=4 4828 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-6127452891 [0,2,0,0,0,0|2,0,0]=4 4829 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-8245544049 [0,2,0,0,0,0|2,0,0]=4 4830 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-8690512997 [0,2,0,0,0,0|2,0,0]=4 4831 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-2755321215 [0,2,0,0,0,0|2,0,0]=4 4832 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-3468273378 [0,2,0,0,0,0|2,0,0]=4 4833 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-7343668152 [0,2,0,0,0,0|2,0,0]=4 4834 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-9897703297 [0,2,0,0,0,0|2,0,0]=4 4835 B8R1.51 O=C1CC(CN1)(F)F MCULE-5899183897 [0,2,0,0,0,0|1,0,0]=3 4836 B8R1.51 O=C1CCS(=O)(=O)C1 MCULE-8153139552 [0,2,0,0,0,0|2,0,0]=4 4837 B8R1.51 O=C1CCS(=O)(=O)N1 MCULE-4505524753 [0,2,0,0,0,0|2,0,0]=4 4838 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,2,0,0,0,0|1,0,0]=3 4839 B8R1.51 O=S1(=O)CC(CO1)Br MCULE-9410616687 [0,2,0,0,0,0|1,0,0]=3 4840 B8R1.51 O=S1(=O)CCC(C1)Br MCULE-7705924050 [0,2,0,0,0,0|2,0,0]=4 4841 B8R1.51 O=S1(=O)CCC(C1)Cl MCULE-6623260684 [0,2,0,0,0,0|2,0,0]=4 4842 B8R1.51 O=S1(=O)CCC(C1)I MCULE-8157194528 [0,2,0,0,0,0|2,0,0]=4 4843 B8R1.51 O=S1(=O)CCC(C1)O MCULE-3784616685 [0,2,0,0,0,0|2,0,0]=4 4844 B8R1.51 O=S1(=O)CCC(C1)S MCULE-5583339693 [0,2,0,0,0,0|2,0,0]=4 4845 B8R1.51 O=S1(=O)CCC(O1)F MCULE-7853949290 [0,2,0,0,0,0|1,0,0]=3 4846 B8R1.51 [NH3+]C1CCS(=O)(=O)C1 MCULE-9144849902 [0,2,0,0,0,0|2,0,0]=4 4847 B8R1.19 C=C1CCCS1(=O)=O MCULE-5480529825 [0,2,0,0,0,0|1,1,0]=4 4848 B8R1.19 CC1(CC=CC1=O)C MCULE-5478168383 [0,2,0,0,0,0|1,0,1]=4 4849 B8R1.19 CC1(CCC=N1=O)C MCULE-3270262370 [0,2,0,0,0,0|2,0,0]=4 4850 B8R1.19 CC1(CCCC1=O)C MCULE-2010694408 [0,2,0,0,0,0|1,0,0]=3 4851 B8R1.19 CC1(CCCC1=O)F MCULE-5382994089 [0,2,0,0,0,0|1,0,0]=3 4852 B8R1.19 CC1(CCN=C1S)C MCULE-9605141691 [0,2,0,0,0,0|1,1,0]=4 4853 B8R1.19 CC1(CCNC1=O)C MCULE-6714447777 [0,2,0,0,0,0|1,0,0]=3 4854 B8R1.19 CC1(CCNC1=O)C MCULE-7206545498 [0,2,0,0,0,0|1,0,0]=3 4855 B8R1.19 CC1(CCNC1=O)N MCULE-2999548291 [0,2,0,0,0,0|1,0,0]=3 4856 B8R1.19 CC1(CCNC1=O)O MCULE-2802989638 [0,2,0,0,0,0|1,0,0]=3 4857 B8R1.19 CC1(CCOC1=O)Br MCULE-3061445898 [0,2,0,0,0,0|0,0,0]=2 4858 B8R1.19 CC1(CCOC1=O)C MCULE-4294599964 [0,2,0,0,0,0|0,0,0]=2 4859 B8R1.19 CC1(CCOC1=O)N MCULE-5332143573 [0,2,0,0,0,0|0,0,0]=2 4860 B8R1.19 CC1(CCOC1=O)N MCULE-6557455932 [0,2,0,0,0,0|0,0,0]=2 4861 B8R1.19 CC1(COCC1=O)C MCULE-8148059071 [0,2,0,0,0,0|2,0,0]=4 4862 B8R1.19 CC1(CONC1=O)C MCULE-5889106208 [0,2,0,0,0,0|2,0,0]=4 4863 B8R1.19 CC1(NCCC1=O)C MCULE-1973849102 [0,2,0,0,0,0|2,0,0]=4 4864 B8R1.19 CC1(NCCC1=O)C MCULE-6763568764 [0,2,0,0,0,0|2,0,0]=4 4865 B8R1.19 CC1(OCCC1=O)C MCULE-3204846453 [0,2,0,0,0,0|2,0,0]=4 4866 B8R1.19 CC1(OCCC1N)C MCULE-6592845715 [0,2,0,0,0,0|1,0,1]=4 4867 B8R1.19 CC1(OCCC1N)C MCULE-6909756281 [0,2,0,0,0,0|1,0,1]=4 4868 B8R1.19 CC1CCCS1(=O)=O MCULE-2985632984 [0,2,0,0,0,0|2,0,0]=4 4869 B8R1.19 CC1CCNS1(=O)=O MCULE-1254365357 [0,2,0,0,0,0|2,0,0]=4 4870 B8R1.19 CC1CCOS1(=O)=O MCULE-6608589153 [0,2,0,0,0,0|1,0,0]=3 4871 B8R1.19 CC1OCCC1(C)N MCULE-3604874294 [0,2,0,0,0,0|1,0,1]=4 4872 B8R1.19 CN1CCCS1(=O)=O MCULE-2950650087 [0,2,0,0,0,0|2,0,0]=4 4873 B8R1.19 CN1CCOS1(=O)=O MCULE-3125124642 [0,2,0,0,0,0|2,0,0]=4 4874 B8R1.19 ClC1OCCC1(Cl)Cl MCULE-6252825851 [0,2,0,0,0,0|1,0,1]=4 4875 B8R1.19 O=C1CCCC1(F)F MCULE-7191261042 [0,2,0,0,0,0|1,0,0]=3 4876 B8R1.19 O=C1CNCC1(F)F MCULE-3134434071 [0,2,0,0,0,0|2,0,0]=4 4877 B8R1.19 O=C1CNCC1(F)F MCULE-3329672163 [0,2,0,0,0,0|2,0,0]=4 4878 B8R1.19 O=C1NCCC1(F)F MCULE-6135502988 [0,2,0,0,0,0|1,0,0]=3 4879 B6R1.3 CCCC1CO1 MCULE-5080039224 [0,0,1,1,0,0|1,0,1]=4 4880 B6R1.3 CCC[C@@H]1CO1 MCULE-1815222100 [0,0,1,1,0,0|1,0,1]=4 4881 B6R1.3 CCC[C@H]1CO1 MCULE-9952368131 [0,0,1,1,0,0|1,0,1]=4 4882 B6R1.9 CC1OC1(C)C MCULE-6556425885 [0,0,1,1,0,0|1,0,1]=4 4883 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [0,0,1,1,0,0|1,0,0]=3 4884 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,0,1,1,0,0|2,0,0]=4 4885 B6R1.11 CC(O)C1CC1 MCULE-8628810684 [0,0,1,1,0,0|1,0,1]=4 4886 B6R1.11 C[C@@H](O)C1CC1 MCULE-8359847821 [0,0,1,1,0,0|1,0,1]=4 4887 B6R1.11 C[C@H](O)C1CC1 MCULE-2458075152 [0,0,1,1,0,0|1,0,1]=4 4888 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [0,0,1,1,0,0|2,0,0]=4 4889 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [0,0,1,1,0,0|2,0,0]=4 4890 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [0,0,1,1,0,0|1,0,0]=3 4891 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,0,1,1,0,0|2,0,0]=4 4892 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [0,0,1,1,0,0|1,1,0]=4 4893 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [0,0,1,1,0,0|1,0,0]=3 4894 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,0,1,1,0,0|0,0,0]=2 4895 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,0,1,1,0,0|1,0,0]=3 4896 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,0,1,1,0,0|1,0,0]=3 4897 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,0,1,1,0,0|1,0,0]=3 4898 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,0,1,1,0,0|1,0,0]=3 4899 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,0,1,1,0,0|1,0,0]=3 4900 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,0,1,1,0,0|1,0,0]=3 4901 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [0,0,1,1,0,0|1,0,1]=4 4902 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [0,0,1,1,0,0|1,0,1]=4 4903 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [0,0,1,1,0,0|1,0,1]=4 4904 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [0,0,1,1,0,0|1,0,1]=4 4905 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [0,0,1,1,0,0|1,0,1]=4 4906 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [0,0,1,1,0,0|1,0,1]=4 4907 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [0,0,1,1,0,0|1,0,1]=4 4908 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [0,0,1,1,0,0|1,0,1]=4 4909 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [0,0,1,1,0,0|1,0,0]=3 4910 B6R1.11 O=S([O-])C1CC1 MCULE-9446364072 [0,0,1,1,0,0|1,0,1]=4 4911 B6R1.11 OB(O)C1CC1 MCULE-5364427631 [0,0,1,1,0,0|1,0,1]=4 4912 B6R1.1 C1=CCCCC1 MCULE-3564016252 [0,0,1,1,0,0|2,0,0]=4 4913 B6R1.1 C1=CCOCC1 MCULE-7723901693 [0,0,1,1,0,0|1,0,1]=4 4914 B6R1.1 C1=COCCC1 MCULE-1260841717 [0,0,1,1,0,0|1,0,0]=3 4915 B6R1.1 C1=COCCO1 MCULE-2562788031 [0,0,1,1,0,0|2,0,0]=4 4916 B6R1.1 C1=COCOC1 MCULE-9916358884 [0,0,1,1,0,0|2,0,0]=4 4917 B6R1.1 C1=NCCCC1 MCULE-7101012273 [0,0,1,1,0,0|2,0,0]=4 4918 B6R1.1 C1=NCCCN1 MCULE-8199642953 [0,0,1,1,0,0|2,0,0]=4 4919 B6R1.1 C1CCOCC1 MCULE-6904583049 [0,0,1,1,0,0|1,0,1]=4 4920 B6R1.1 C1CCONC1 MCULE-4106728300 [0,0,1,1,0,0|1,0,1]=4 4921 B6R1.1 C1CCONC1 MCULE-7653057344 [0,0,1,1,0,0|1,0,1]=4 4922 B6R1.1 C1CNCOC1 MCULE-7862832103 [0,0,1,1,0,0|1,0,1]=4 4923 B6R1.1 C1COCOC1 MCULE-3698539550 [0,0,1,1,0,0|0,0,2]=4 4924 B6R1.7 CCC1(CO1)C MCULE-5308881519 [0,0,1,1,0,0|1,0,1]=4 4925 B6R2.4 C1CC2C1O2 MCULE-9211083149 [1,0,0,1,0,0|0,0,1]=3 4926 B8R2.2 CC12CCCC1O2 MCULE-5518981528 [0,0,0,1,0,1|1,0,1]=4 4927 B8R2.18 O=C1CC2CC2C1 MCULE-4411193370 [0,0,0,1,0,1|1,0,0]=3 4928 B8R2.18 O=C1CC2CC2N1 MCULE-6301280583 [0,0,0,1,0,1|1,0,0]=3 4929 B8R2.18 O=C1CC2OC2C1 MCULE-2497020989 [0,0,0,1,0,1|1,0,0]=3 4930 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 MCULE-3069760916 [0,0,0,1,0,1|1,0,0]=3 4931 B8R2.23 C1NCC2CC1O2 MCULE-3930964839 [0,0,0,1,0,1|1,0,1]=4 4932 B8R2.23 C1NCC2CC1O2 MCULE-6584286025 [0,0,0,1,0,1|1,0,1]=4 4933 B8R2.23 C1OCC2CC1N2 MCULE-3468077880 [0,0,0,1,0,1|1,0,1]=4 4934 B8R2.23 C1OCC2CC1N2 MCULE-6210778974 [0,0,0,1,0,1|1,0,1]=4 4935 B8R2.23 C1OCC2CC1N2 MCULE-6524524748 [0,0,0,1,0,1|1,0,1]=4 4936 B8R2.25 C1CC2OC2CO1 MCULE-4990291348 [0,0,0,1,0,1|0,0,2]=4 4937 B8R2.25 C1COC2CC2N1 MCULE-5944893983 [0,0,0,1,0,1|1,0,1]=4 4938 B8R2.25 C1COC2CC2N1 MCULE-6610370616 [0,0,0,1,0,1|1,0,1]=4 4939 B8R2.34 C1OC2CNC1C2 MCULE-1822736928 [0,0,0,1,0,1|1,0,1]=4 4940 B8R2.34 C1OC2CNC1C2 MCULE-5214142451 [0,0,0,1,0,1|1,0,1]=4 4941 B8R2.34 C1OC2CNC1C2 MCULE-5921409308 [0,0,0,1,0,1|1,0,1]=4 4942 B8R2.34 C1O[C@@H]2CN[C@H]1C2 MCULE-4658845641 [0,0,0,1,0,1|1,0,1]=4 4943 B8R2.34 C1O[C@@H]2CN[C@H]1C2 MCULE-5841645438 [0,0,0,1,0,1|1,0,1]=4 4944 B8R2.34 C1O[C@@H]2CN[C@H]1C2 MCULE-6364409636 [0,0,0,1,0,1|1,0,1]=4 4945 B8R2.34 C1O[C@@H]2CN[C@H]1C2 MCULE-8524390425 [0,0,0,1,0,1|1,0,1]=4 4946 B8R2.34 C1O[C@H]2CN[C@@H]1C2 MCULE-7383738702 [0,0,0,1,0,1|1,0,1]=4 4947 B8R2.34 C1O[C@H]2CN[C@@H]1C2 MCULE-8517533101 [0,0,0,1,0,1|1,0,1]=4 4948 B8R2.34 [C@@H]12CN[C@H](C1)CO2 MCULE-9276251911 [0,0,0,1,0,1|1,0,1]=4 4949 B8R2.34 [C@@H]12CN[C@H](C1)CO2 MCULE-9302249152 [0,0,0,1,0,1|1,0,1]=4 4950 B8R2.34 [C@@H]12CO[C@@H](C1)CN2 MCULE-1034525360 [0,0,0,1,0,1|1,0,1]=4 4951 B8R2.34 [C@@H]12CO[C@@H](C1)CN2 MCULE-1504973326 [0,0,0,1,0,1|1,0,1]=4 4952 B8R2.34 [C@H]12CO[C@H](C1)CN2 MCULE-1837369673 [0,0,0,1,0,1|1,0,1]=4 4953 B8R2.34 [C@H]12CO[C@H](C1)CN2 MCULE-2902675586 [0,0,0,1,0,1|1,0,1]=4 4954 B8R2.34 [C@H]12CO[C@H](C1)CN2 MCULE-5084112178 [0,0,0,1,0,1|1,0,1]=4 4955 B8R2.34 [C@H]12CO[C@H](C1)CN2 MCULE-5109663912 [0,0,0,1,0,1|1,0,1]=4 4956 B8R2.34 [C@H]12CO[C@H](C1)CN2 MCULE-9224940002 [0,0,0,1,0,1|1,0,1]=4 4957 B8R2.34 [C@H]12CO[C@H](C1)CN2 MCULE-9292793734 [0,0,0,1,0,1|1,0,1]=4 4958 B8R2.34 [C@H]12CO[C@H](C1)CN2 MCULE-9503097866 [0,0,0,1,0,1|1,0,1]=4 4959 B8R2.38 O=C1CCC2C1C2 MCULE-4714285285 [0,0,0,1,0,1|1,0,0]=3 4960 B8R2.38 O=C1CCC2C1O2 MCULE-5532735099 [0,0,0,1,0,1|0,0,0]=2 4961 B8R2.38 O=C1CC[C@@H]2[C@H]1C2 MCULE-7728867768 [0,0,0,1,0,1|1,0,0]=3 4962 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-1007541778 [0,0,0,1,0,1|1,0,0]=3 4963 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-8077752466 [0,0,0,1,0,1|1,0,0]=3 4964 B8R2.38 O=C1NCC2C1C2 MCULE-5593114305 [0,0,0,1,0,1|1,0,0]=3 4965 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 MCULE-6438081695 [0,0,0,1,0,1|1,0,0]=3 4966 B8R2.4 O=C1CC2CC1C2 MCULE-5372379094 [0,1,0,1,0,0|1,0,0]=3 4967 B8R2.7 NC12COC(C1)C2 MCULE-2572978505 [0,1,0,1,0,0|1,0,1]=4 4968 B8R2.7 NC12COC(C1)C2 MCULE-9456662727 [0,1,0,1,0,0|1,0,1]=4 4969 B4R1.1 C1CNC1 MCULE-2817120281 [1,0,0,0,1,0|1,0,0]=3 4970 B4R1.1 C1CNC1 MCULE-5348168818 [1,0,0,0,1,0|1,0,0]=3 4971 B4R1.1 C1COC1 MCULE-4105779148 [1,0,0,0,1,0|0,0,0]=2 4972 B4R1.1 C1CSC1 MCULE-2361125802 [1,0,0,0,1,0|0,1,0]=3 4973 B4R1.2 BrC1CC1 MCULE-3656295609 [0,0,0,0,2,0|1,0,1]=4 4974 B4R1.2 CC1CC1 MCULE-5909419916 [0,0,0,0,2,0|1,0,1]=4 4975 B4R1.2 CC1CO1 MCULE-4799904973 [0,0,0,0,2,0|1,0,1]=4 4976 B4R1.2 CC1CO1 MCULE-9508255430 [0,0,0,0,2,0|1,0,1]=4 4977 B4R1.2 C[C@@H]1CO1 MCULE-5437340901 [0,0,0,0,2,0|1,0,1]=4 4978 B4R1.2 C[C@@H]1CO1 MCULE-6874302400 [0,0,0,0,2,0|1,0,1]=4 4979 B4R1.2 C[C@H]1CO1 MCULE-4667457959 [0,0,0,0,2,0|1,0,1]=4 4980 B4R1.2 IC1CC1 MCULE-6043109265 [0,0,0,0,2,0|1,0,1]=4 4981 B4R1.2 NC1CC1 MCULE-1933360330 [0,0,0,0,2,0|1,0,1]=4 4982 B4R1.2 NC1CC1 MCULE-6187070220 [0,0,0,0,2,0|1,0,1]=4 4983 B4R1.2 OC1CC1 MCULE-8237846154 [0,0,0,0,2,0|0,0,2]=4 4984 B4R1.2 SC1CC1 MCULE-1371610395 [0,0,0,0,2,0|0,1,1]=4 4985 B8R1.22 BrC1=CCCCCC1 MCULE-1629255872 [0,0,0,0,0,2|2,0,0]=4 4986 B8R1.22 BrC1CCCOCC1 MCULE-4342557066 [0,0,0,0,0,2|1,0,1]=4 4987 B8R1.22 C=C1CCCNCC1 MCULE-2798255197 [0,0,0,0,0,2|2,0,0]=4 4988 B8R1.22 C=C1CCCNCC1 MCULE-4874852480 [0,0,0,0,0,2|2,0,0]=4 4989 B8R1.22 C=C1CNCCOC1 MCULE-6114191545 [0,0,0,0,0,2|1,0,0]=3 4990 B8R1.22 C=C1CNCCOC1 MCULE-6722705565 [0,0,0,0,0,2|1,0,0]=3 4991 B8R1.22 C=C1COCCOC1 MCULE-3194930888 [0,0,0,0,0,2|1,0,0]=3 4992 B8R1.22 C=C1OCCCCO1 MCULE-8283334358 [0,0,0,0,0,2|1,0,0]=3 4993 B8R1.22 CC1CNCCCO1 MCULE-6836650488 [0,0,0,0,0,2|1,0,1]=4 4994 B8R1.22 CC1CNCCCO1 MCULE-8246520743 [0,0,0,0,0,2|1,0,1]=4 4995 B8R1.22 CC1CNCCOC1 MCULE-3266198031 [0,0,0,0,0,2|1,0,1]=4 4996 B8R1.22 CC1CNCCOC1 MCULE-7683724120 [0,0,0,0,0,2|1,0,1]=4 4997 B8R1.22 CC1COCCCN1 MCULE-5522410500 [0,0,0,0,0,2|1,0,1]=4 4998 B8R1.22 CN1COCCOC1 MCULE-7955154550 [0,0,0,0,0,2|2,0,0]=4 4999 B8R1.22 C[C@@H]1CCNCCO1 MCULE-4706490422 [0,0,0,0,0,2|1,0,1]=4 5000 B8R1.22 C[C@@H]1CCNCCO1 MCULE-7769149413 [0,0,0,0,0,2|1,0,1]=4 5001 B8R1.22 NC1=NCCCCC1 MCULE-2757008672 [0,0,0,0,0,2|2,0,0]=4 5002 B8R1.22 NC1=NCCCCC1 MCULE-7781415779 [0,0,0,0,0,2|2,0,0]=4 5003 B8R1.22 NC1CCCOCC1 MCULE-2817475859 [0,0,0,0,0,2|1,0,1]=4 5004 B8R1.22 NC1CNCCOC1 MCULE-6645165643 [0,0,0,0,0,2|1,0,1]=4 5005 B8R1.22 NC1CNCCOC1 MCULE-6897171234 [0,0,0,0,0,2|1,0,1]=4 5006 B8R1.22 NC1COCCOC1 MCULE-2081266239 [0,0,0,0,0,2|1,0,1]=4 5007 B8R1.22 NC1COCCOC1 MCULE-8164730318 [0,0,0,0,0,2|1,0,1]=4 5008 B8R1.22 O=C1C=CCCCC1 MCULE-5281461360 [0,0,0,0,0,2|1,0,0]=3 5009 B8R1.22 O=C1C=CCCCN1 MCULE-6257739832 [0,0,0,0,0,2|1,0,0]=3 5010 B8R1.22 O=C1CCC=CCC1 MCULE-5704984437 [0,0,0,0,0,2|1,0,0]=3 5011 B8R1.22 O=C1CCCCCC1 MCULE-3507111924 [0,0,0,0,0,2|1,0,0]=3 5012 B8R1.22 O=C1CCCCCN1 MCULE-4544579564 [0,0,0,0,0,2|1,0,0]=3 5013 B8R1.22 O=C1CCCCCO1 MCULE-3051096014 [0,0,0,0,0,2|0,0,0]=2 5014 B8R1.22 O=C1CCCCNC1 MCULE-8257380915 [0,0,0,0,0,2|1,0,0]=3 5015 B8R1.22 O=C1CCCCNC1 MCULE-8344538815 [0,0,0,0,0,2|1,0,0]=3 5016 B8R1.22 O=C1CCCNCC1 MCULE-3201401906 [0,0,0,0,0,2|1,0,0]=3 5017 B8R1.22 O=C1CCCNCC1 MCULE-8264253371 [0,0,0,0,0,2|1,0,0]=3 5018 B8R1.22 O=C1CCCOCC1 MCULE-9595066384 [0,0,0,0,0,2|0,0,0]=2 5019 B8R1.22 O=C1CCCSCC1 MCULE-9359592851 [0,0,0,0,0,2|0,1,0]=3 5020 B8R1.22 O=C1CCNCCN1 MCULE-1678306131 [0,0,0,0,0,2|1,0,0]=3 5021 B8R1.22 O=C1CCNCCN1 MCULE-1867860146 [0,0,0,0,0,2|1,0,0]=3 5022 B8R1.22 O=C1CCOCCN1 MCULE-6881734685 [0,0,0,0,0,2|1,0,0]=3 5023 B8R1.22 O=C1CCOCCO1 MCULE-1433837187 [0,0,0,0,0,2|0,0,0]=2 5024 B8R1.22 O=C1CCSCCN1 MCULE-9445131358 [0,0,0,0,0,2|1,0,0]=3 5025 B8R1.22 O=C1CNCCCN1 MCULE-6106237928 [0,0,0,0,0,2|1,0,0]=3 5026 B8R1.22 O=C1CNCCCN1 MCULE-9943393784 [0,0,0,0,0,2|1,0,0]=3 5027 B8R1.22 O=C1CNCCNC1 MCULE-2450825992 [0,0,0,0,0,2|1,0,0]=3 5028 B8R1.22 O=C1CNCCNC1 MCULE-7379420394 [0,0,0,0,0,2|1,0,0]=3 5029 B8R1.22 O=C1CNCCOC1 MCULE-7546546158 [0,0,0,0,0,2|0,0,0]=2 5030 B8R1.22 O=C1CNCCOC1 MCULE-9183427962 [0,0,0,0,0,2|0,0,0]=2 5031 B8R1.22 O=C1COCCCN1 MCULE-1471963909 [0,0,0,0,0,2|0,0,0]=2 5032 B8R1.22 O=C1COCCOC1 MCULE-4481438739 [0,0,0,0,0,2|0,0,0]=2 5033 B8R1.22 O=C1CSCCSC1 MCULE-5039848738 [0,0,0,0,0,2|0,1,0]=3 5034 B8R1.22 O=C1OCCCCO1 MCULE-1107419276 [0,0,0,0,0,2|0,0,0]=2 5035 B8R1.22 O=S1CCCNCC1 MCULE-1954952183 [0,0,0,0,0,2|2,0,0]=4 5036 B8R1.22 O=S1CCCNCC1 MCULE-2035316359 [0,0,0,0,0,2|2,0,0]=4 5037 B8R1.22 O=S1OCCCCO1 MCULE-6898726705 [0,0,0,0,0,2|1,0,0]=3 5038 B8R1.22 OC1CCCOCC1 MCULE-6712544119 [0,0,0,0,0,2|0,0,2]=4 5039 B8R1.22 OC1CNCCOC1 MCULE-2428391064 [0,0,0,0,0,2|0,0,2]=4 5040 B8R1.22 OC1CNCCOC1 MCULE-5528486665 [0,0,0,0,0,2|0,0,2]=4 5041 B8R1.22 OC1COCCOC1 MCULE-2284989485 [0,0,0,0,0,2|0,0,2]=4 5042 B8R1.22 O[C@@H]1CNCCOC1 MCULE-5133055470 [0,0,0,0,0,2|0,0,2]=4 5043 B8R1.22 O[C@@H]1CNCCOC1 MCULE-7942990292 [0,0,0,0,0,2|0,0,2]=4 5044 B8R1.22 O[C@H]1CNCCOC1 MCULE-6353150297 [0,0,0,0,0,2|0,0,2]=4 5045 B8R1.22 S=C1CCCCCN1 MCULE-6573611309 [0,0,0,0,0,2|1,1,0]=4 5046 B8R1.22 S=C1NCCCCN1 MCULE-5312414479 [0,0,0,0,0,2|1,1,0]=4