0 B3R0.2 BN(C)C MCULE-2470964161 [0,0,0,0,0,0|4,0,0]=4 1 B3R0.2 BrB(Br)Br MCULE-1696698241 [0,0,0,0,0,0|4,0,0]=4 2 B3R0.2 BrC(Br)Br MCULE-3687875829 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.2 BrP(Br)Br MCULE-7259109753 [0,0,0,0,0,0|4,0,0]=4 4 B3R0.2 Br[As](Br)Br MCULE-5748492297 [0,0,0,0,0,0|4,0,0]=4 5 B3R0.2 C=C(C)Br MCULE-7805530064 [0,0,0,0,0,0|3,0,0]=3 6 B3R0.2 C=C(C)C MCULE-5640095130 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.2 C=C(C)Cl MCULE-1752401095 [0,0,0,0,0,0|3,0,0]=3 8 B3R0.2 C=C(C)F MCULE-3213198231 [0,0,0,0,0,0|3,0,0]=3 9 B3R0.2 C=C(Cl)Cl MCULE-1430323756 [0,0,0,0,0,0|3,0,0]=3 10 B3R0.2 C=C(F)Cl MCULE-8528897253 [0,0,0,0,0,0|3,0,0]=3 11 B3R0.2 C=C(F)F MCULE-2471767745 [0,0,0,0,0,0|3,0,0]=3 12 B3R0.2 C=[N+](C)C MCULE-4450980212 [0,0,0,0,0,0|4,0,0]=4 13 B3R0.2 C=[N+](C)C MCULE-5309464837 [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 C=[N+](C)C MCULE-9321779445 [0,0,0,0,0,0|4,0,0]=4 15 B3R0.2 CB(O)O MCULE-3510763826 [0,0,0,0,0,0|2,0,1]=3 16 B3R0.2 CC(=N)N MCULE-3235425606 [0,0,0,0,0,0|2,0,0]=2 17 B3R0.2 CC(=N)N MCULE-3546679379 [0,0,0,0,0,0|2,0,0]=2 18 B3R0.2 CC(=N)N MCULE-3597638887 [0,0,0,0,0,0|2,0,0]=2 19 B3R0.2 CC(=N)N MCULE-9831274654 [0,0,0,0,0,0|2,0,0]=2 20 B3R0.2 CC(=O)Br MCULE-4892265063 [0,0,0,0,0,0|2,0,0]=2 21 B3R0.2 CC(=O)C MCULE-6679625040 [0,0,0,0,0,0|2,0,0]=2 22 B3R0.2 CC(=O)Cl MCULE-9041746362 [0,0,0,0,0,0|2,0,0]=2 23 B3R0.2 CC(=O)I MCULE-4812718701 [0,0,0,0,0,0|2,0,0]=2 24 B3R0.2 CC(=O)N MCULE-9280264861 [0,0,0,0,0,0|1,0,0]=1 25 B3R0.2 CC(=O)O MCULE-1502330578 [0,0,0,0,0,0|1,0,0]=1 26 B3R0.2 CC(=O)O MCULE-5514028500 [0,0,0,0,0,0|1,0,0]=1 27 B3R0.2 CC(=O)O MCULE-5942589566 [0,0,0,0,0,0|1,0,0]=1 28 B3R0.2 CC(=O)O MCULE-6780070129 [0,0,0,0,0,0|1,0,0]=1 29 B3R0.2 CC(=O)O MCULE-8295936189 [0,0,0,0,0,0|1,0,0]=1 30 B3R0.2 CC(=O)O MCULE-9103972283 [0,0,0,0,0,0|1,0,0]=1 31 B3R0.2 CC(=O)O MCULE-9900518424 [0,0,0,0,0,0|1,0,0]=1 32 B3R0.2 CC(=O)S MCULE-5769447035 [0,0,0,0,0,0|1,1,0]=2 33 B3R0.2 CC(=O)[O-] MCULE-2314460022 [0,0,0,0,0,0|1,0,1]=2 34 B3R0.2 CC(=O)[O-] MCULE-2960771771 [0,0,0,0,0,0|1,0,1]=2 35 B3R0.2 CC(=O)[O-] MCULE-5334052410 [0,0,0,0,0,0|1,0,1]=2 36 B3R0.2 CC(=O)[O-] MCULE-5482908386 [0,0,0,0,0,0|1,0,1]=2 37 B3R0.2 CC(=O)[O-] MCULE-9723570182 [0,0,0,0,0,0|1,0,1]=2 38 B3R0.2 CC(=O)[O-] MCULE-9910426896 [0,0,0,0,0,0|1,0,1]=2 39 B3R0.2 CC(=S)N MCULE-4635097605 [0,0,0,0,0,0|1,1,0]=2 40 B3R0.2 CC(=S)[O-] MCULE-1878530758 [0,0,0,0,0,0|1,1,1]=3 41 B3R0.2 CC(Br)Br MCULE-3156450089 [0,0,0,0,0,0|3,0,1]=4 42 B3R0.2 CC(C)Br MCULE-4068304617 [0,0,0,0,0,0|3,0,1]=4 43 B3R0.2 CC(C)C MCULE-6616676274 [0,0,0,0,0,0|3,0,1]=4 44 B3R0.2 CC(C)Cl MCULE-3190141598 [0,0,0,0,0,0|3,0,1]=4 45 B3R0.2 CC(C)F MCULE-5333357055 [0,0,0,0,0,0|3,0,1]=4 46 B3R0.2 CC(C)I MCULE-6151711033 [0,0,0,0,0,0|3,0,1]=4 47 B3R0.2 CC(C)N MCULE-1048799006 [0,0,0,0,0,0|2,0,1]=3 48 B3R0.2 CC(C)N MCULE-1125416142 [0,0,0,0,0,0|2,0,1]=3 49 B3R0.2 CC(C)N MCULE-2418429353 [0,0,0,0,0,0|2,0,1]=3 50 B3R0.2 CC(C)N MCULE-7280647435 [0,0,0,0,0,0|2,0,1]=3 51 B3R0.2 CC(C)O MCULE-6646752234 [0,0,0,0,0,0|2,0,1]=3 52 B3R0.2 CC(C)S MCULE-8283942088 [0,0,0,0,0,0|2,1,1]=4 53 B3R0.2 CC(Cl)Br MCULE-6166388747 [0,0,0,0,0,0|3,0,1]=4 54 B3R0.2 CC(Cl)Cl MCULE-2444543893 [0,0,0,0,0,0|3,0,1]=4 55 B3R0.2 CC(F)Cl MCULE-1350283946 [0,0,0,0,0,0|3,0,1]=4 56 B3R0.2 CC(F)F MCULE-1642052461 [0,0,0,0,0,0|3,0,1]=4 57 B3R0.2 CN(=O)=O MCULE-8704524604 [0,0,0,0,0,0|2,0,1]=3 58 B3R0.2 CN(C)C MCULE-5179437979 [0,0,0,0,0,0|4,0,0]=4 59 B3R0.2 CN(C)C MCULE-6816696733 [0,0,0,0,0,0|4,0,0]=4 60 B3R0.2 CN(C)C MCULE-7903544426 [0,0,0,0,0,0|4,0,0]=4 61 B3R0.2 CN(C)N MCULE-7177216911 [0,0,0,0,0,0|3,0,0]=3 62 B3R0.2 CN(C)N MCULE-8775366011 [0,0,0,0,0,0|3,0,0]=3 63 B3R0.2 CN(C)O MCULE-6572915706 [0,0,0,0,0,0|3,0,0]=3 64 B3R0.2 CN(C)O MCULE-6950647562 [0,0,0,0,0,0|3,0,0]=3 65 B3R0.2 CP(=O)C MCULE-6150886622 [0,0,0,0,0,0|3,0,0]=3 66 B3R0.2 CP(C)C MCULE-6703190251 [0,0,0,0,0,0|4,0,0]=4 67 B3R0.2 CS(=O)C MCULE-2005841258 [0,0,0,0,0,0|3,0,0]=3 68 B3R0.2 CS(=O)Cl MCULE-1292201352 [0,0,0,0,0,0|3,0,0]=3 69 B3R0.2 CS(=O)N MCULE-5162949591 [0,0,0,0,0,0|2,0,0]=2 70 B3R0.2 CS(=O)O MCULE-8711306710 [0,0,0,0,0,0|2,0,0]=2 71 B3R0.2 CS(=O)[O-] MCULE-1437194827 [0,0,0,0,0,0|2,0,1]=3 72 B3R0.2 C[Ga](C)C MCULE-6013775603 [0,0,0,0,0,0|4,0,0]=4 73 B3R0.2 C[In](C)C MCULE-1424187192 [0,0,0,0,0,0|4,0,0]=4 74 B3R0.2 C[O+](C)C MCULE-2925451414 [0,0,0,0,0,0|4,0,0]=4 75 B3R0.2 C[S+](C)Br MCULE-2734391695 [0,0,0,0,0,0|4,0,0]=4 76 B3R0.2 C[S+](C)Br MCULE-6411921824 [0,0,0,0,0,0|4,0,0]=4 77 B3R0.2 C[S+](C)C MCULE-5867625832 [0,0,0,0,0,0|4,0,0]=4 78 B3R0.2 C[S+](C)C MCULE-7678314643 [0,0,0,0,0,0|4,0,0]=4 79 B3R0.2 C[S+](C)C MCULE-8005905986 [0,0,0,0,0,0|4,0,0]=4 80 B3R0.2 C[Se](=O)C MCULE-4596040471 [0,0,0,0,0,0|3,0,0]=3 81 B3R0.2 C[Se](=O)O MCULE-5568767851 [0,0,0,0,0,0|2,0,0]=2 82 B3R0.2 ClC(Br)Br MCULE-7315486856 [0,0,0,0,0,0|3,0,1]=4 83 B3R0.2 ClC(Cl)Br MCULE-9404631495 [0,0,0,0,0,0|3,0,1]=4 84 B3R0.2 ClC(Cl)Cl MCULE-5607930311 [0,0,0,0,0,0|3,0,1]=4 85 B3R0.2 ClC(Cl)I MCULE-9232888477 [0,0,0,0,0,0|3,0,1]=4 86 B3R0.2 FB(F)F MCULE-1704429390 [0,0,0,0,0,0|4,0,0]=4 87 B3R0.2 FB(F)F MCULE-7556848779 [0,0,0,0,0,0|4,0,0]=4 88 B3R0.2 FC(Br)Br MCULE-4574077227 [0,0,0,0,0,0|3,0,1]=4 89 B3R0.2 FC(F)I MCULE-6704020444 [0,0,0,0,0,0|3,0,1]=4 90 B3R0.2 IB(I)I MCULE-5700664858 [0,0,0,0,0,0|4,0,0]=4 91 B3R0.2 IC(I)I MCULE-5976787287 [0,0,0,0,0,0|3,0,1]=4 92 B3R0.2 IP(I)I MCULE-6117717931 [0,0,0,0,0,0|4,0,0]=4 93 B3R0.2 I[As](I)I MCULE-5611881357 [0,0,0,0,0,0|4,0,0]=4 94 B3R0.2 N=C(N)Cl MCULE-4764134011 [0,0,0,0,0,0|2,0,0]=2 95 B3R0.2 N=C(N)Cl MCULE-7852054677 [0,0,0,0,0,0|2,0,0]=2 96 B3R0.2 N=C(N)N MCULE-1152750770 [0,0,0,0,0,0|2,0,0]=2 97 B3R0.2 N=C(N)N MCULE-1411566696 [0,0,0,0,0,0|2,0,0]=2 98 B3R0.2 N=C(N)N MCULE-4266731066 [0,0,0,0,0,0|2,0,0]=2 99 B3R0.2 N=C(N)N MCULE-5921771392 [0,0,0,0,0,0|2,0,0]=2 100 B3R0.2 N=C(N)N MCULE-6036914599 [0,0,0,0,0,0|2,0,0]=2 101 B3R0.2 N=C(N)N MCULE-6164013415 [0,0,0,0,0,0|2,0,0]=2 102 B3R0.2 N=C(N)N MCULE-9649225484 [0,0,0,0,0,0|2,0,0]=2 103 B3R0.2 NC(=O)N MCULE-3224868954 [0,0,0,0,0,0|1,0,0]=1 104 B3R0.2 NC(=O)N MCULE-8513891094 [0,0,0,0,0,0|1,0,0]=1 105 B3R0.2 NC(=O)O MCULE-1579038047 [0,0,0,0,0,0|0,0,0]=0 106 B3R0.2 NC(=O)O MCULE-3232812015 [0,0,0,0,0,0|0,0,0]=0 107 B3R0.2 NC(=S)N MCULE-5046264236 [0,0,0,0,0,0|1,1,0]=2 108 B3R0.2 NC(=S)S MCULE-6182511253 [0,0,0,0,0,0|0,2,0]=2 109 B3R0.2 NC(=S)[S-] MCULE-1680327465 [0,0,0,0,0,0|0,2,0]=2 110 B3R0.2 NC(=[Se])N MCULE-3936244532 [0,0,0,0,0,0|1,1,0]=2 111 B3R0.2 O=C(Cl)[Au] MCULE-6601882022 [0,0,0,0,0,0|2,0,0]=2 112 B3R0.2 O=C(O)O MCULE-3743781291 [0,0,0,0,0,0|1,0,0]=1 113 B3R0.2 O=C(O)O MCULE-6373078171 [0,0,0,0,0,0|1,0,0]=1 114 B3R0.2 O=C([O-])O MCULE-5529655359 [0,0,0,0,0,0|1,0,0]=1 115 B3R0.2 O=C([O-])O MCULE-7293729150 [0,0,0,0,0,0|1,0,0]=1 116 B3R0.2 O=C([O-])[O-] MCULE-1092668330 [0,0,0,0,0,0|1,0,1]=2 117 B3R0.2 O=C([O-])[O-] MCULE-1095103800 [0,0,0,0,0,0|1,0,1]=2 118 B3R0.2 O=C([O-])[O-] MCULE-1597066471 [0,0,0,0,0,0|1,0,1]=2 119 B3R0.2 O=C([O-])[O-] MCULE-2005483457 [0,0,0,0,0,0|1,0,1]=2 120 B3R0.2 O=C([O-])[O-] MCULE-3299525070 [0,0,0,0,0,0|1,0,1]=2 121 B3R0.2 O=C([O-])[O-] MCULE-4074516840 [0,0,0,0,0,0|1,0,1]=2 122 B3R0.2 O=C([O-])[O-] MCULE-4180727513 [0,0,0,0,0,0|1,0,1]=2 123 B3R0.2 O=C([O-])[O-] MCULE-4294265087 [0,0,0,0,0,0|1,0,1]=2 124 B3R0.2 O=C([O-])[O-] MCULE-5127021441 [0,0,0,0,0,0|1,0,1]=2 125 B3R0.2 O=C([O-])[O-] MCULE-5345790821 [0,0,0,0,0,0|1,0,1]=2 126 B3R0.2 O=C([O-])[O-] MCULE-6214917073 [0,0,0,0,0,0|1,0,1]=2 127 B3R0.2 O=C([O-])[O-] MCULE-6757968396 [0,0,0,0,0,0|1,0,1]=2 128 B3R0.2 O=C([O-])[O-] MCULE-7714638074 [0,0,0,0,0,0|1,0,1]=2 129 B3R0.2 O=C([O-])[O-] MCULE-8731559807 [0,0,0,0,0,0|1,0,1]=2 130 B3R0.2 O=I(=O)O MCULE-6335954469 [0,0,0,0,0,0|2,0,0]=2 131 B3R0.2 O=I(=O)O MCULE-7906123102 [0,0,0,0,0,0|2,0,0]=2 132 B3R0.2 O=N(=O)=O MCULE-1959019189 [0,0,0,0,0,0|2,0,1]=3 133 B3R0.2 O=N(=O)=O MCULE-2708947237 [0,0,0,0,0,0|2,0,1]=3 134 B3R0.2 O=N(=O)=O MCULE-5271549027 [0,0,0,0,0,0|2,0,1]=3 135 B3R0.2 O=N(=O)=O MCULE-7854950179 [0,0,0,0,0,0|2,0,1]=3 136 B3R0.2 O=N(=O)=O MCULE-9135268225 [0,0,0,0,0,0|2,0,1]=3 137 B3R0.2 O=N(=O)O MCULE-5926867268 [0,0,0,0,0,0|2,0,0]=2 138 B3R0.2 O=N(=O)O MCULE-8501453871 [0,0,0,0,0,0|2,0,0]=2 139 B3R0.2 O=N(=O)[O-] MCULE-6774438996 [0,0,0,0,0,0|2,0,1]=3 140 B3R0.2 O=P(=O)O MCULE-3007887617 [0,0,0,0,0,0|2,0,0]=2 141 B3R0.2 O=P(=O)[O-] MCULE-1412944829 [0,0,0,0,0,0|2,0,1]=3 142 B3R0.2 O=P(=O)[O-] MCULE-4322560801 [0,0,0,0,0,0|2,0,1]=3 143 B3R0.2 O=P(=O)[O-] MCULE-6900289315 [0,0,0,0,0,0|2,0,1]=3 144 B3R0.2 O=P(O)O MCULE-8889145943 [0,0,0,0,0,0|2,0,0]=2 145 B3R0.2 O=P([O-])O MCULE-3773885400 [0,0,0,0,0,0|2,0,0]=2 146 B3R0.2 O=P([O-])O MCULE-6745348516 [0,0,0,0,0,0|2,0,0]=2 147 B3R0.2 O=S(=O)=O MCULE-3497956371 [0,0,0,0,0,0|2,0,1]=3 148 B3R0.2 O=S(=O)O MCULE-7070708516 [0,0,0,0,0,0|2,0,0]=2 149 B3R0.2 O=S(Br)Br MCULE-8128997630 [0,0,0,0,0,0|3,0,0]=3 150 B3R0.2 O=S(F)F MCULE-8893634369 [0,0,0,0,0,0|3,0,0]=3 151 B3R0.2 O=S(O)O MCULE-3188569799 [0,0,0,0,0,0|2,0,0]=2 152 B3R0.2 O=S(O)O MCULE-7812738469 [0,0,0,0,0,0|2,0,0]=2 153 B3R0.2 O=S([O-])[O-] MCULE-6510216426 [0,0,0,0,0,0|2,0,1]=3 154 B3R0.2 O=[Se](Cl)Cl MCULE-7426137156 [0,0,0,0,0,0|3,0,0]=3 155 B3R0.2 O=[Se](O)O MCULE-9081277469 [0,0,0,0,0,0|2,0,0]=2 156 B3R0.2 O=[Si](O)O MCULE-3228936275 [0,0,0,0,0,0|1,1,0]=2 157 B3R0.2 OB(O)O MCULE-2905906674 [0,0,0,0,0,0|2,0,1]=3 158 B3R0.2 OB(O)O MCULE-8095091838 [0,0,0,0,0,0|2,0,1]=3 159 B3R0.2 OP(O)O MCULE-9313199709 [0,0,0,0,0,0|2,0,1]=3 160 B3R0.2 S=C(Cl)Cl MCULE-2150830304 [0,0,0,0,0,0|2,1,0]=3 161 B3R0.2 [O-]P([O-])O MCULE-1307635620 [0,0,0,0,0,0|2,0,1]=3 162 B3R0.2 [O-]P([O-])O MCULE-4722745097 [0,0,0,0,0,0|2,0,1]=3 163 B3R0.2 [SiH](Cl)(Cl)Cl MCULE-9872974813 [0,0,0,0,0,0|3,1,0]=4 164 B2R0.1 BrCBr MCULE-5148445055 [1,0,0,0,0,0|2,0,1]=4 165 B2R0.1 BrCI MCULE-5427209261 [1,0,0,0,0,0|2,0,1]=4 166 B2R0.1 C#CC MCULE-8346460782 [1,0,0,0,0,0|2,0,1]=4 167 B2R0.1 C=C=C MCULE-2040872097 [1,0,0,0,0,0|2,0,1]=4 168 B2R0.1 C=CBr MCULE-1481946455 [1,0,0,0,0,0|2,0,0]=3 169 B2R0.1 C=CC MCULE-5223715076 [1,0,0,0,0,0|2,0,0]=3 170 B2R0.1 C=CCl MCULE-9678046268 [1,0,0,0,0,0|2,0,0]=3 171 B2R0.1 C=CI MCULE-2939062322 [1,0,0,0,0,0|2,0,0]=3 172 B2R0.1 C=CO MCULE-8167566239 [1,0,0,0,0,0|1,0,0]=2 173 B2R0.1 C=NN MCULE-4427606079 [1,0,0,0,0,0|2,0,0]=3 174 B2R0.1 C=NO MCULE-1312312591 [1,0,0,0,0,0|2,0,0]=3 175 B2R0.1 C=NO MCULE-7599902650 [1,0,0,0,0,0|2,0,0]=3 176 B2R0.1 CC#N MCULE-8803543318 [1,0,0,0,0,0|1,0,2]=4 177 B2R0.1 CC=O MCULE-6002254510 [1,0,0,0,0,0|1,0,0]=2 178 B2R0.1 CC=O MCULE-6800925955 [1,0,0,0,0,0|1,0,0]=2 179 B2R0.1 CCBr MCULE-9840669634 [1,0,0,0,0,0|2,0,1]=4 180 B2R0.1 CCC MCULE-7179517367 [1,0,0,0,0,0|2,0,1]=4 181 B2R0.1 CCCl MCULE-8087909182 [1,0,0,0,0,0|2,0,1]=4 182 B2R0.1 CCI MCULE-9405436513 [1,0,0,0,0,0|2,0,1]=4 183 B2R0.1 CCN MCULE-1774065508 [1,0,0,0,0,0|1,0,1]=3 184 B2R0.1 CCN MCULE-5999638632 [1,0,0,0,0,0|1,0,1]=3 185 B2R0.1 CCN MCULE-6233823811 [1,0,0,0,0,0|1,0,1]=3 186 B2R0.1 CCN MCULE-6444557204 [1,0,0,0,0,0|1,0,1]=3 187 B2R0.1 CCO MCULE-8818474596 [1,0,0,0,0,0|1,0,1]=3 188 B2R0.1 CCS MCULE-5717309901 [1,0,0,0,0,0|1,1,1]=4 189 B2R0.1 CNC MCULE-2809467532 [1,0,0,0,0,0|3,0,0]=4 190 B2R0.1 CNN MCULE-6163742401 [1,0,0,0,0,0|2,0,0]=3 191 B2R0.1 CNN MCULE-7217348217 [1,0,0,0,0,0|2,0,0]=3 192 B2R0.1 CNN MCULE-9086529736 [1,0,0,0,0,0|2,0,0]=3 193 B2R0.1 CNO MCULE-5310203084 [1,0,0,0,0,0|2,0,0]=3 194 B2R0.1 CNO MCULE-7072005453 [1,0,0,0,0,0|2,0,0]=3 195 B2R0.1 COC MCULE-4385003255 [1,0,0,0,0,0|3,0,0]=4 196 B2R0.1 CON MCULE-1068458971 [1,0,0,0,0,0|2,0,0]=3 197 B2R0.1 CON MCULE-8687558307 [1,0,0,0,0,0|2,0,0]=3 198 B2R0.1 CO[NH3+] MCULE-6631452734 [1,0,0,0,0,0|2,0,1]=4 199 B2R0.1 CO[NH3+] MCULE-9975010969 [1,0,0,0,0,0|2,0,1]=4 200 B2R0.1 CSC MCULE-4525381422 [1,0,0,0,0,0|3,0,0]=4 201 B2R0.1 C[Se]C MCULE-5369504805 [1,0,0,0,0,0|3,0,0]=4 202 B2R0.1 ClCBr MCULE-5030719866 [1,0,0,0,0,0|2,0,1]=4 203 B2R0.1 ClCCl MCULE-1114735075 [1,0,0,0,0,0|2,0,1]=4 204 B2R0.1 ClCI MCULE-1762372626 [1,0,0,0,0,0|2,0,1]=4 205 B2R0.1 FCF MCULE-9775386185 [1,0,0,0,0,0|2,0,1]=4 206 B2R0.1 FCI MCULE-4283244074 [1,0,0,0,0,0|2,0,1]=4 207 B2R0.1 ICI MCULE-8023612181 [1,0,0,0,0,0|2,0,1]=4 208 B2R0.1 N#CBr MCULE-3513077125 [1,0,0,0,0,0|1,0,2]=4 209 B2R0.1 N#CCl MCULE-4403226252 [1,0,0,0,0,0|1,0,2]=4 210 B2R0.1 N#CN MCULE-9026610515 [1,0,0,0,0,0|1,0,1]=3 211 B2R0.1 N#CO MCULE-7459250889 [1,0,0,0,0,0|0,0,2]=3 212 B2R0.1 N#CS MCULE-2320088521 [1,0,0,0,0,0|0,1,2]=4 213 B2R0.1 N#CS MCULE-9925206507 [1,0,0,0,0,0|0,1,2]=4 214 B2R0.1 N#C[Ag] MCULE-5002634734 [1,0,0,0,0,0|1,0,2]=4 215 B2R0.1 N#C[Cu] MCULE-1927475603 [1,0,0,0,0,0|1,0,2]=4 216 B2R0.1 N#C[K] MCULE-3386691242 [1,0,0,0,0,0|1,0,2]=4 217 B2R0.1 N#C[Na] MCULE-8224219580 [1,0,0,0,0,0|1,0,2]=4 218 B2R0.1 N#C[O-] MCULE-3410618080 [1,0,0,0,0,0|0,0,3]=4 219 B2R0.1 N#C[S-] MCULE-1340634414 [1,0,0,0,0,0|0,1,2]=4 220 B2R0.1 N#N=[N-] MCULE-1504891905 [1,0,0,0,0,0|2,0,1]=4 221 B2R0.1 N=C=O MCULE-6805056266 [1,0,0,0,0,0|0,0,2]=3 222 B2R0.1 N=CN MCULE-3312866825 [1,0,0,0,0,0|1,0,0]=2 223 B2R0.1 N=CN MCULE-4184922761 [1,0,0,0,0,0|1,0,0]=2 224 B2R0.1 N=CN MCULE-8637660949 [1,0,0,0,0,0|1,0,0]=2 225 B2R0.1 NC=O MCULE-1633954643 [1,0,0,0,0,0|0,0,0]=1 226 B2R0.1 NC=O MCULE-4202420620 [1,0,0,0,0,0|0,0,0]=1 227 B2R0.1 NC=S MCULE-9004645073 [1,0,0,0,0,0|0,1,0]=2 228 B2R0.1 NC=[NH2+] MCULE-1491590547 [1,0,0,0,0,0|1,0,0]=2 229 B2R0.1 NCN MCULE-1911584441 [1,0,0,0,0,0|1,0,1]=3 230 B2R0.1 NCN MCULE-5032116024 [1,0,0,0,0,0|1,0,1]=3 231 B2R0.1 O=BO MCULE-1752281859 [1,0,0,0,0,0|1,0,0]=2 232 B2R0.1 O=CO MCULE-7175589186 [1,0,0,0,0,0|0,0,0]=1 233 B2R0.1 O=C[O-] MCULE-2970986504 [1,0,0,0,0,0|0,0,1]=2 234 B2R0.1 O=C[O-] MCULE-3867870864 [1,0,0,0,0,0|0,0,1]=2 235 B2R0.1 O=C[O-] MCULE-4029930501 [1,0,0,0,0,0|0,0,1]=2 236 B2R0.1 O=NO MCULE-6927518919 [1,0,0,0,0,0|1,0,0]=2 237 B2R0.1 O=N[O-] MCULE-3257981536 [1,0,0,0,0,0|1,0,1]=3 238 B2R0.1 O=N[O-] MCULE-7337131268 [1,0,0,0,0,0|1,0,1]=3 239 B2R0.1 O=PO MCULE-5287418544 [1,0,0,0,0,0|1,0,0]=2 240 B2R0.1 O=P[O-] MCULE-3840413517 [1,0,0,0,0,0|1,0,1]=3 241 B2R0.1 O=P[O-] MCULE-8243944513 [1,0,0,0,0,0|1,0,1]=3 242 B2R0.1 O=S=O MCULE-5418662043 [1,0,0,0,0,0|1,0,1]=3 243 B2R0.1 O=[Ge]=O MCULE-2024233522 [1,0,0,0,0,0|0,1,1]=3 244 B2R0.1 O=[N+]=O MCULE-8164521024 [1,0,0,0,0,0|1,0,1]=3 245 B2R0.1 O=[Se]=O MCULE-7119785212 [1,0,0,0,0,0|1,0,1]=3 246 B2R0.1 O=[Si]=O MCULE-2341844083 [1,0,0,0,0,0|0,1,1]=3 247 B2R0.1 O=[Te]=O MCULE-4837785402 [1,0,0,0,0,0|1,0,1]=3 248 B2R0.1 OBO MCULE-8455181481 [1,0,0,0,0,0|1,0,1]=3 249 B2R0.1 OPO MCULE-1346196691 [1,0,0,0,0,0|1,0,1]=3 250 B2R0.1 OPO MCULE-5673098193 [1,0,0,0,0,0|1,0,1]=3 251 B2R0.1 S=C=S MCULE-8806338867 [1,0,0,0,0,0|0,2,1]=4 252 B2R0.1 S=[Ge]=S MCULE-5333336219 [1,0,0,0,0,0|0,3,0]=4 253 B2R0.1 S=[Se]=S MCULE-6773401157 [1,0,0,0,0,0|1,2,0]=4 254 B2R0.1 S=[Si]=S MCULE-6039044614 [1,0,0,0,0,0|0,3,0]=4 255 B2R0.1 [BH3-]C#N MCULE-1837794750 [1,0,0,0,0,0|1,0,2]=4 256 B2R0.1 [BH3-]C#N MCULE-4224216892 [1,0,0,0,0,0|1,0,2]=4 257 B2R0.1 [O-]PO MCULE-2811495269 [1,0,0,0,0,0|1,0,1]=3 258 B2R0.1 [O-]PO MCULE-6918966731 [1,0,0,0,0,0|1,0,1]=3 259 B2R0.1 [Se]=[Ge]=[Se] MCULE-1049519526 [1,0,0,0,0,0|0,3,0]=4 260 B4R0.1 BrC=C(Br)Br MCULE-9536958233 [0,1,0,0,0,0|3,0,0]=4 261 B4R0.1 C#CB(O)O MCULE-2503425015 [0,1,0,0,0,0|2,0,1]=4 262 B4R0.1 C#CC(=C)C MCULE-6826835331 [0,1,0,0,0,0|3,0,0]=4 263 B4R0.1 C#CC(=O)C MCULE-1296030711 [0,1,0,0,0,0|2,0,0]=3 264 B4R0.1 C#CC(=O)N MCULE-1832868146 [0,1,0,0,0,0|1,0,0]=2 265 B4R0.1 C#CC(=O)O MCULE-8764256624 [0,1,0,0,0,0|1,0,0]=2 266 B4R0.1 C#CC(=O)[O-] MCULE-3356498679 [0,1,0,0,0,0|1,0,1]=3 267 B4R0.1 C#CC(=O)[O-] MCULE-3490087346 [0,1,0,0,0,0|1,0,1]=3 268 B4R0.1 C#CC(C)N MCULE-5174459541 [0,1,0,0,0,0|2,0,1]=4 269 B4R0.1 C#CC(C)N MCULE-7552261137 [0,1,0,0,0,0|2,0,1]=4 270 B4R0.1 C#CC(C)N MCULE-8458008104 [0,1,0,0,0,0|2,0,1]=4 271 B4R0.1 C#CC(C)N MCULE-8872781976 [0,1,0,0,0,0|2,0,1]=4 272 B4R0.1 C#CC(C)O MCULE-6692690957 [0,1,0,0,0,0|2,0,1]=4 273 B4R0.1 C#CC(C)O MCULE-8115962170 [0,1,0,0,0,0|2,0,1]=4 274 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [0,1,0,0,0,0|2,0,1]=4 275 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [0,1,0,0,0,0|2,0,1]=4 276 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [0,1,0,0,0,0|2,0,1]=4 277 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [0,1,0,0,0,0|2,0,1]=4 278 B4R0.1 C#C[C@@H](C)O MCULE-3014030718 [0,1,0,0,0,0|2,0,1]=4 279 B4R0.1 C#C[C@@H](C)O MCULE-5925379513 [0,1,0,0,0,0|2,0,1]=4 280 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [0,1,0,0,0,0|2,0,1]=4 281 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [0,1,0,0,0,0|2,0,1]=4 282 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [0,1,0,0,0,0|2,0,1]=4 283 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [0,1,0,0,0,0|2,0,1]=4 284 B4R0.1 C#C[C@H](C)O MCULE-3264536845 [0,1,0,0,0,0|2,0,1]=4 285 B4R0.1 C(C)(N)CN MCULE-5877041140 [0,1,0,0,0,0|2,0,1]=4 286 B4R0.1 C(C)(N)CO MCULE-5844242932 [0,1,0,0,0,0|1,0,1]=3 287 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [0,1,0,0,0,0|1,0,0]=2 288 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [0,1,0,0,0,0|1,0,0]=2 289 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [0,1,0,0,0,0|3,0,0]=4 290 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [0,1,0,0,0,0|3,0,0]=4 291 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [0,1,0,0,0,0|3,0,0]=4 292 B4R0.1 C=C(Br)C#N MCULE-6077746884 [0,1,0,0,0,0|2,0,1]=4 293 B4R0.1 C=C(Br)C=O MCULE-9500973388 [0,1,0,0,0,0|2,0,0]=3 294 B4R0.1 C=C(Br)CBr MCULE-1222617820 [0,1,0,0,0,0|3,0,0]=4 295 B4R0.1 C=C(Br)CC MCULE-6271946451 [0,1,0,0,0,0|3,0,0]=4 296 B4R0.1 C=C(Br)CN MCULE-1170417597 [0,1,0,0,0,0|2,0,0]=3 297 B4R0.1 C=C(Br)CN MCULE-9190049156 [0,1,0,0,0,0|2,0,0]=3 298 B4R0.1 C=C(Br)CO MCULE-7763893047 [0,1,0,0,0,0|2,0,0]=3 299 B4R0.1 C=C(C)C#N MCULE-9177849910 [0,1,0,0,0,0|2,0,1]=4 300 B4R0.1 C=C(C)C=O MCULE-3758355501 [0,1,0,0,0,0|2,0,0]=3 301 B4R0.1 C=C(C)CBr MCULE-1361893863 [0,1,0,0,0,0|3,0,0]=4 302 B4R0.1 C=C(C)CCl MCULE-5586406339 [0,1,0,0,0,0|3,0,0]=4 303 B4R0.1 C=C(C)CI MCULE-3678124406 [0,1,0,0,0,0|3,0,0]=4 304 B4R0.1 C=C(C)CN MCULE-1033495975 [0,1,0,0,0,0|2,0,0]=3 305 B4R0.1 C=C(C)CN MCULE-8730181300 [0,1,0,0,0,0|2,0,0]=3 306 B4R0.1 C=C(C)CO MCULE-8641288398 [0,1,0,0,0,0|2,0,0]=3 307 B4R0.1 C=C(C)CS MCULE-5174170431 [0,1,0,0,0,0|2,1,0]=4 308 B4R0.1 C=C(C)OC MCULE-7344104255 [0,1,0,0,0,0|2,0,0]=3 309 B4R0.1 C=C(Cl)C#N MCULE-8612604639 [0,1,0,0,0,0|2,0,1]=4 310 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [0,1,0,0,0,0|3,0,0]=4 311 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [0,1,0,0,0,0|3,0,0]=4 312 B4R0.1 C=C(Cl)CI MCULE-1908004565 [0,1,0,0,0,0|3,0,0]=4 313 B4R0.1 C=C(Cl)CN MCULE-2159410121 [0,1,0,0,0,0|2,0,0]=3 314 B4R0.1 C=C(Cl)CN MCULE-3454023553 [0,1,0,0,0,0|2,0,0]=3 315 B4R0.1 C=C(Cl)CO MCULE-8813337564 [0,1,0,0,0,0|2,0,0]=3 316 B4R0.1 C=C(F)CBr MCULE-6528430141 [0,1,0,0,0,0|3,0,0]=4 317 B4R0.1 C=C(F)CCl MCULE-4499400030 [0,1,0,0,0,0|3,0,0]=4 318 B4R0.1 C=C(F)CN MCULE-1603171858 [0,1,0,0,0,0|2,0,0]=3 319 B4R0.1 C=C(F)CN MCULE-3878727292 [0,1,0,0,0,0|2,0,0]=3 320 B4R0.1 C=C(F)CO MCULE-2779963696 [0,1,0,0,0,0|2,0,0]=3 321 B4R0.1 C=C(I)CO MCULE-2533897125 [0,1,0,0,0,0|2,0,0]=3 322 B4R0.1 C=C=C(C)C MCULE-8705186354 [0,1,0,0,0,0|3,0,0]=4 323 B4R0.1 C=CB(O)O MCULE-2531600001 [0,1,0,0,0,0|2,0,1]=4 324 B4R0.1 C=CC(=C)C MCULE-1668999564 [0,1,0,0,0,0|3,0,0]=4 325 B4R0.1 C=CC(=O)C MCULE-4924646293 [0,1,0,0,0,0|2,0,0]=3 326 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [0,1,0,0,0,0|2,0,0]=3 327 B4R0.1 C=CC(=O)N MCULE-4309430654 [0,1,0,0,0,0|1,0,0]=2 328 B4R0.1 C=CC(=O)O MCULE-9352227082 [0,1,0,0,0,0|1,0,0]=2 329 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [0,1,0,0,0,0|1,0,1]=3 330 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [0,1,0,0,0,0|1,0,1]=3 331 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [0,1,0,0,0,0|1,0,1]=3 332 B4R0.1 C=CC(C)N MCULE-5748048106 [0,1,0,0,0,0|2,0,1]=4 333 B4R0.1 C=CC(C)N MCULE-6786590923 [0,1,0,0,0,0|2,0,1]=4 334 B4R0.1 C=CC(C)O MCULE-4525368256 [0,1,0,0,0,0|2,0,1]=4 335 B4R0.1 C=CN(=O)=O MCULE-1988475489 [0,1,0,0,0,0|2,0,1]=4 336 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [0,1,0,0,0,0|2,0,1]=4 337 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [0,1,0,0,0,0|2,0,1]=4 338 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [0,1,0,0,0,0|2,0,1]=4 339 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [0,1,0,0,0,0|2,0,1]=4 340 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [0,1,0,0,0,0|2,0,1]=4 341 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [0,1,0,0,0,0|2,0,1]=4 342 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [0,1,0,0,0,0|2,0,1]=4 343 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [0,1,0,0,0,0|2,0,1]=4 344 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [0,1,0,0,0,0|2,0,1]=4 345 B4R0.1 CC(=CBr)C MCULE-9508381610 [0,1,0,0,0,0|3,0,0]=4 346 B4R0.1 CC(=CCl)C MCULE-4321554138 [0,1,0,0,0,0|3,0,0]=4 347 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [0,1,0,0,0,0|3,0,0]=4 348 B4R0.1 CC(=N)NN MCULE-2302306720 [0,1,0,0,0,0|2,0,0]=3 349 B4R0.1 CC(=N)NN MCULE-5362481009 [0,1,0,0,0,0|2,0,0]=3 350 B4R0.1 CC(=NN)C MCULE-8828852790 [0,1,0,0,0,0|2,0,0]=3 351 B4R0.1 CC(=NO)C MCULE-3243100216 [0,1,0,0,0,0|2,0,0]=3 352 B4R0.1 CC(=O)C#N MCULE-6317771757 [0,1,0,0,0,0|1,0,1]=3 353 B4R0.1 CC(=O)C=O MCULE-2718961814 [0,1,0,0,0,0|1,0,1]=3 354 B4R0.1 CC(=O)CBr MCULE-7812920675 [0,1,0,0,0,0|2,0,0]=3 355 B4R0.1 CC(=O)CCl MCULE-2501365933 [0,1,0,0,0,0|2,0,0]=3 356 B4R0.1 CC(=O)CF MCULE-7417279999 [0,1,0,0,0,0|2,0,0]=3 357 B4R0.1 CC(=O)CN MCULE-2715277783 [0,1,0,0,0,0|1,0,0]=2 358 B4R0.1 CC(=O)CN MCULE-6004541862 [0,1,0,0,0,0|1,0,0]=2 359 B4R0.1 CC(=O)CO MCULE-2989526028 [0,1,0,0,0,0|1,0,0]=2 360 B4R0.1 CC(=O)CS MCULE-9736174016 [0,1,0,0,0,0|1,1,0]=3 361 B4R0.1 CC(=O)NBr MCULE-6502070876 [0,1,0,0,0,0|1,0,0]=2 362 B4R0.1 CC(=O)NN MCULE-9183467120 [0,1,0,0,0,0|1,0,0]=2 363 B4R0.1 CC(=O)NO MCULE-2682231025 [0,1,0,0,0,0|1,0,0]=2 364 B4R0.1 CC(=O)OO MCULE-6028338742 [0,1,0,0,0,0|1,0,0]=2 365 B4R0.1 CC(Br)C=O MCULE-6060704330 [0,1,0,0,0,0|2,0,1]=4 366 B4R0.1 CC(Br)CN MCULE-5214613046 [0,1,0,0,0,0|2,0,1]=4 367 B4R0.1 CC(Br)CN MCULE-6326218362 [0,1,0,0,0,0|2,0,1]=4 368 B4R0.1 CC(Br)CO MCULE-8344365003 [0,1,0,0,0,0|2,0,1]=4 369 B4R0.1 CC(C)C=O MCULE-3575731904 [0,1,0,0,0,0|2,0,1]=4 370 B4R0.1 CC(C)CN MCULE-2158650588 [0,1,0,0,0,0|2,0,1]=4 371 B4R0.1 CC(C)CN MCULE-6751437658 [0,1,0,0,0,0|2,0,1]=4 372 B4R0.1 CC(C)CN MCULE-8319193456 [0,1,0,0,0,0|2,0,1]=4 373 B4R0.1 CC(C)CN MCULE-8705657065 [0,1,0,0,0,0|2,0,1]=4 374 B4R0.1 CC(C)CO MCULE-6294327194 [0,1,0,0,0,0|2,0,1]=4 375 B4R0.1 CC(C)NN MCULE-4673953224 [0,1,0,0,0,0|2,0,1]=4 376 B4R0.1 CC(C)NN MCULE-7901160798 [0,1,0,0,0,0|2,0,1]=4 377 B4R0.1 CC(C)NN MCULE-9473118288 [0,1,0,0,0,0|2,0,1]=4 378 B4R0.1 CC(C)NO MCULE-6516566403 [0,1,0,0,0,0|2,0,1]=4 379 B4R0.1 CC(C)NO MCULE-8545146035 [0,1,0,0,0,0|2,0,1]=4 380 B4R0.1 CC(C)ON MCULE-4063407094 [0,1,0,0,0,0|2,0,1]=4 381 B4R0.1 CC(C)ON MCULE-9108231771 [0,1,0,0,0,0|2,0,1]=4 382 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [0,1,0,0,0,0|2,0,1]=4 383 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [0,1,0,0,0,0|2,0,1]=4 384 B4R0.1 CC(Cl)CN MCULE-2637316379 [0,1,0,0,0,0|2,0,1]=4 385 B4R0.1 CC(Cl)CN MCULE-5591419030 [0,1,0,0,0,0|2,0,1]=4 386 B4R0.1 CC(Cl)CO MCULE-3857255988 [0,1,0,0,0,0|2,0,1]=4 387 B4R0.1 CC(Cl)CO MCULE-7538548427 [0,1,0,0,0,0|2,0,1]=4 388 B4R0.1 CC(F)CN MCULE-6584490651 [0,1,0,0,0,0|2,0,1]=4 389 B4R0.1 CC(F)CN MCULE-9499916116 [0,1,0,0,0,0|2,0,1]=4 390 B4R0.1 CC(F)CO MCULE-6006763378 [0,1,0,0,0,0|2,0,1]=4 391 B4R0.1 CC(N)C#N MCULE-4008524363 [0,1,0,0,0,0|2,0,1]=4 392 B4R0.1 CC(N)C#N MCULE-8654767875 [0,1,0,0,0,0|2,0,1]=4 393 B4R0.1 CC(N)C=O MCULE-3421118418 [0,1,0,0,0,0|1,0,1]=3 394 B4R0.1 CC(N)CBr MCULE-1783493149 [0,1,0,0,0,0|2,0,1]=4 395 B4R0.1 CC(N)CBr MCULE-2775398297 [0,1,0,0,0,0|2,0,1]=4 396 B4R0.1 CC(N)CCl MCULE-8652434595 [0,1,0,0,0,0|2,0,1]=4 397 B4R0.1 CC(N)CCl MCULE-9580466630 [0,1,0,0,0,0|2,0,1]=4 398 B4R0.1 CC(N)CF MCULE-1603143200 [0,1,0,0,0,0|2,0,1]=4 399 B4R0.1 CC(N)CF MCULE-3787216870 [0,1,0,0,0,0|2,0,1]=4 400 B4R0.1 CC(N)CF MCULE-4138869746 [0,1,0,0,0,0|2,0,1]=4 401 B4R0.1 CC(N)CF MCULE-8611760275 [0,1,0,0,0,0|2,0,1]=4 402 B4R0.1 CC(N)CN MCULE-2119036110 [0,1,0,0,0,0|2,0,1]=4 403 B4R0.1 CC(N)CN MCULE-6286216576 [0,1,0,0,0,0|2,0,1]=4 404 B4R0.1 CC(N)CN MCULE-9919433465 [0,1,0,0,0,0|2,0,1]=4 405 B4R0.1 CC(N)CO MCULE-1361379423 [0,1,0,0,0,0|1,0,1]=3 406 B4R0.1 CC(N)CO MCULE-2098440985 [0,1,0,0,0,0|1,0,1]=3 407 B4R0.1 CC(N)CS MCULE-1396853557 [0,1,0,0,0,0|1,1,1]=4 408 B4R0.1 CC(N)CS MCULE-4094732666 [0,1,0,0,0,0|1,1,1]=4 409 B4R0.1 CC(O)C#N MCULE-3166802314 [0,1,0,0,0,0|1,0,2]=4 410 B4R0.1 CC(O)CBr MCULE-7835094737 [0,1,0,0,0,0|2,0,1]=4 411 B4R0.1 CC(O)CCl MCULE-9140807958 [0,1,0,0,0,0|2,0,1]=4 412 B4R0.1 CC(O)CF MCULE-1023052065 [0,1,0,0,0,0|2,0,1]=4 413 B4R0.1 CC(O)CN MCULE-4370440652 [0,1,0,0,0,0|1,0,1]=3 414 B4R0.1 CC(O)CN MCULE-5694317743 [0,1,0,0,0,0|1,0,1]=3 415 B4R0.1 CC(O)CN MCULE-6406041538 [0,1,0,0,0,0|1,0,1]=3 416 B4R0.1 CC(O)CN MCULE-6636652305 [0,1,0,0,0,0|1,0,1]=3 417 B4R0.1 CC(O)CO MCULE-5574440784 [0,1,0,0,0,0|1,0,2]=4 418 B4R0.1 CC(O)CO MCULE-8743139013 [0,1,0,0,0,0|1,0,2]=4 419 B4R0.1 CC(O)CS MCULE-7881083356 [0,1,0,0,0,0|1,1,1]=4 420 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [0,1,0,0,0,0|1,0,2]=4 421 B4R0.1 CC(S)CN MCULE-1957568322 [0,1,0,0,0,0|1,1,1]=4 422 B4R0.1 CC(S)CN MCULE-7469442412 [0,1,0,0,0,0|1,1,1]=4 423 B4R0.1 CC(S)CO MCULE-5090908062 [0,1,0,0,0,0|1,1,1]=4 424 B4R0.1 CC=C(C)Br MCULE-1371905211 [0,1,0,0,0,0|3,0,0]=4 425 B4R0.1 CC=C(C)C MCULE-4230157245 [0,1,0,0,0,0|3,0,0]=4 426 B4R0.1 CC=C(C)Cl MCULE-3844314543 [0,1,0,0,0,0|3,0,0]=4 427 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [0,1,0,0,0,0|3,0,0]=4 428 B4R0.1 CC=C(F)F MCULE-5544510852 [0,1,0,0,0,0|3,0,0]=4 429 B4R0.1 CCB(O)O MCULE-1650960999 [0,1,0,0,0,0|2,0,1]=4 430 B4R0.1 CCC(=N)N MCULE-1856575742 [0,1,0,0,0,0|2,0,0]=3 431 B4R0.1 CCC(=N)N MCULE-2534386807 [0,1,0,0,0,0|2,0,0]=3 432 B4R0.1 CCC(=O)Br MCULE-7870678619 [0,1,0,0,0,0|2,0,0]=3 433 B4R0.1 CCC(=O)C MCULE-8276670748 [0,1,0,0,0,0|2,0,0]=3 434 B4R0.1 CCC(=O)Cl MCULE-3081874391 [0,1,0,0,0,0|2,0,0]=3 435 B4R0.1 CCC(=O)F MCULE-8783887670 [0,1,0,0,0,0|2,0,0]=3 436 B4R0.1 CCC(=O)N MCULE-3730796130 [0,1,0,0,0,0|1,0,0]=2 437 B4R0.1 CCC(=O)O MCULE-2199051150 [0,1,0,0,0,0|1,0,0]=2 438 B4R0.1 CCC(=O)O MCULE-9800054040 [0,1,0,0,0,0|1,0,0]=2 439 B4R0.1 CCC(=O)S MCULE-3392119766 [0,1,0,0,0,0|1,1,0]=3 440 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [0,1,0,0,0,0|1,0,1]=3 441 B4R0.1 CCC(=S)N MCULE-3921479699 [0,1,0,0,0,0|1,1,0]=3 442 B4R0.1 CCC(C)N MCULE-5041676035 [0,1,0,0,0,0|2,0,1]=4 443 B4R0.1 CCC(C)N MCULE-5835091553 [0,1,0,0,0,0|2,0,1]=4 444 B4R0.1 CCC(C)N MCULE-6631606230 [0,1,0,0,0,0|2,0,1]=4 445 B4R0.1 CCC(C)N MCULE-8165681721 [0,1,0,0,0,0|2,0,1]=4 446 B4R0.1 CCC(C)O MCULE-4099350806 [0,1,0,0,0,0|2,0,1]=4 447 B4R0.1 CCC(C)O MCULE-5005120003 [0,1,0,0,0,0|2,0,1]=4 448 B4R0.1 CCN(=O)=O MCULE-6603591614 [0,1,0,0,0,0|2,0,1]=4 449 B4R0.1 CCN(C)N MCULE-2279492356 [0,1,0,0,0,0|3,0,0]=4 450 B4R0.1 CCN(C)N MCULE-5660338703 [0,1,0,0,0,0|3,0,0]=4 451 B4R0.1 CCN(C)N MCULE-9839987578 [0,1,0,0,0,0|3,0,0]=4 452 B4R0.1 CCS(=O)C MCULE-4400935745 [0,1,0,0,0,0|3,0,0]=4 453 B4R0.1 CCS(=O)O MCULE-9872932319 [0,1,0,0,0,0|2,0,0]=3 454 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [0,1,0,0,0,0|2,0,1]=4 455 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [0,1,0,0,0,0|2,0,1]=4 456 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [0,1,0,0,0,0|2,0,1]=4 457 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [0,1,0,0,0,0|2,0,1]=4 458 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [0,1,0,0,0,0|2,0,1]=4 459 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [0,1,0,0,0,0|2,0,1]=4 460 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [0,1,0,0,0,0|2,0,1]=4 461 B4R0.1 CC[C@H](C)N MCULE-2450201533 [0,1,0,0,0,0|2,0,1]=4 462 B4R0.1 CC[C@H](C)N MCULE-2998961427 [0,1,0,0,0,0|2,0,1]=4 463 B4R0.1 CC[C@H](C)N MCULE-6692190471 [0,1,0,0,0,0|2,0,1]=4 464 B4R0.1 CC[C@H](C)N MCULE-6904795465 [0,1,0,0,0,0|2,0,1]=4 465 B4R0.1 CC[C@H](C)O MCULE-3700911573 [0,1,0,0,0,0|2,0,1]=4 466 B4R0.1 CC[C@H](C)O MCULE-6063716138 [0,1,0,0,0,0|2,0,1]=4 467 B4R0.1 CN(C)C=O MCULE-6290117712 [0,1,0,0,0,0|3,0,0]=4 468 B4R0.1 CN(C)N=O MCULE-1157726226 [0,1,0,0,0,0|3,0,0]=4 469 B4R0.1 CN(N)C=O MCULE-6353057165 [0,1,0,0,0,0|2,0,0]=3 470 B4R0.1 CNC(=N)N MCULE-1074994749 [0,1,0,0,0,0|2,0,0]=3 471 B4R0.1 CNC(=N)N MCULE-6149731862 [0,1,0,0,0,0|2,0,0]=3 472 B4R0.1 CNC(=N)N MCULE-7667364021 [0,1,0,0,0,0|2,0,0]=3 473 B4R0.1 CNC(=N)N MCULE-7854448694 [0,1,0,0,0,0|2,0,0]=3 474 B4R0.1 CNC(=O)C MCULE-2612997941 [0,1,0,0,0,0|1,0,0]=2 475 B4R0.1 CNC(=O)Cl MCULE-7743744606 [0,1,0,0,0,0|1,0,0]=2 476 B4R0.1 CNC(=O)N MCULE-6422331704 [0,1,0,0,0,0|1,0,0]=2 477 B4R0.1 CNC(=S)C MCULE-8699171591 [0,1,0,0,0,0|1,1,0]=3 478 B4R0.1 CNC(=S)N MCULE-7103250725 [0,1,0,0,0,0|1,1,0]=3 479 B4R0.1 CNC(=S)[S-] MCULE-4072880135 [0,1,0,0,0,0|0,2,0]=3 480 B4R0.1 CNC(=S)[S-] MCULE-4924829934 [0,1,0,0,0,0|0,2,0]=3 481 B4R0.1 CNC(C)C MCULE-3849513543 [0,1,0,0,0,0|2,0,1]=4 482 B4R0.1 CNN(C)C MCULE-7120869955 [0,1,0,0,0,0|3,0,0]=4 483 B4R0.1 CNN(C)C MCULE-8318926099 [0,1,0,0,0,0|3,0,0]=4 484 B4R0.1 COC(=N)C MCULE-2752794913 [0,1,0,0,0,0|1,0,1]=3 485 B4R0.1 COC(=N)C MCULE-2904991083 [0,1,0,0,0,0|1,0,1]=3 486 B4R0.1 COC(=N)N MCULE-1611076737 [0,1,0,0,0,0|1,0,0]=2 487 B4R0.1 COC(=N)N MCULE-4923904579 [0,1,0,0,0,0|1,0,0]=2 488 B4R0.1 COC(=N)N MCULE-6696789855 [0,1,0,0,0,0|1,0,0]=2 489 B4R0.1 COC(=N)N MCULE-9171600210 [0,1,0,0,0,0|1,0,0]=2 490 B4R0.1 COC(=O)C MCULE-7368066093 [0,1,0,0,0,0|1,0,0]=2 491 B4R0.1 COC(=O)Cl MCULE-8022274771 [0,1,0,0,0,0|1,0,0]=2 492 B4R0.1 COC(=O)N MCULE-4070607369 [0,1,0,0,0,0|0,0,0]=1 493 B4R0.1 COC(=S)N MCULE-9414558443 [0,1,0,0,0,0|0,1,0]=2 494 B4R0.1 COC(=S)[S-] MCULE-4829872223 [0,1,0,0,0,0|1,1,0]=3 495 B4R0.1 COC(=S)[S-] MCULE-6509496630 [0,1,0,0,0,0|1,1,0]=3 496 B4R0.1 COC(C)Cl MCULE-9043930044 [0,1,0,0,0,0|2,0,1]=4 497 B4R0.1 COC(Cl)Cl MCULE-7296291650 [0,1,0,0,0,0|2,0,1]=4 498 B4R0.1 COP(Cl)Cl MCULE-5269746171 [0,1,0,0,0,0|3,0,0]=4 499 B4R0.1 CSC(=N)N MCULE-1471368384 [0,1,0,0,0,0|1,1,0]=3 500 B4R0.1 CSC(=N)N MCULE-3394284504 [0,1,0,0,0,0|1,1,0]=3 501 B4R0.1 CSC(=N)N MCULE-3752198299 [0,1,0,0,0,0|1,1,0]=3 502 B4R0.1 CSC(=N)N MCULE-5672446896 [0,1,0,0,0,0|1,1,0]=3 503 B4R0.1 CSC(=N)N MCULE-8409992127 [0,1,0,0,0,0|1,1,0]=3 504 B4R0.1 CSC(=O)C MCULE-7061634598 [0,1,0,0,0,0|1,1,0]=3 505 B4R0.1 CSC(=S)C MCULE-4836153374 [0,1,0,0,0,0|1,2,0]=4 506 B4R0.1 CSS(=O)C MCULE-6515592458 [0,1,0,0,0,0|2,1,0]=4 507 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [0,1,0,0,0,0|2,0,1]=4 508 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [0,1,0,0,0,0|2,0,1]=4 509 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [0,1,0,0,0,0|2,0,1]=4 510 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [0,1,0,0,0,0|2,0,1]=4 511 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [0,1,0,0,0,0|2,0,1]=4 512 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [0,1,0,0,0,0|2,0,1]=4 513 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [0,1,0,0,0,0|2,0,1]=4 514 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [0,1,0,0,0,0|2,0,1]=4 515 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [0,1,0,0,0,0|2,0,1]=4 516 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [0,1,0,0,0,0|2,0,1]=4 517 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [0,1,0,0,0,0|2,0,1]=4 518 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [0,1,0,0,0,0|2,0,1]=4 519 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [0,1,0,0,0,0|2,0,1]=4 520 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [0,1,0,0,0,0|2,0,1]=4 521 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [0,1,0,0,0,0|2,0,1]=4 522 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [0,1,0,0,0,0|2,0,1]=4 523 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [0,1,0,0,0,0|1,0,1]=3 524 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [0,1,0,0,0,0|1,0,1]=3 525 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [0,1,0,0,0,0|1,0,1]=3 526 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [0,1,0,0,0,0|2,0,1]=4 527 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [0,1,0,0,0,0|2,0,1]=4 528 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [0,1,0,0,0,0|1,0,1]=3 529 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [0,1,0,0,0,0|1,0,2]=4 530 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [0,1,0,0,0,0|1,0,2]=4 531 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [0,1,0,0,0,0|1,1,1]=4 532 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [0,1,0,0,0,0|2,0,1]=4 533 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [0,1,0,0,0,0|2,0,1]=4 534 B4R0.1 C[C@H](F)CO MCULE-1024261541 [0,1,0,0,0,0|2,0,1]=4 535 B4R0.1 C[C@H](F)CO MCULE-7028098137 [0,1,0,0,0,0|2,0,1]=4 536 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [0,1,0,0,0,0|2,0,1]=4 537 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [0,1,0,0,0,0|2,0,1]=4 538 B4R0.1 C[C@H](N)CF MCULE-1053227516 [0,1,0,0,0,0|2,0,1]=4 539 B4R0.1 C[C@H](N)CF MCULE-4024916343 [0,1,0,0,0,0|2,0,1]=4 540 B4R0.1 C[C@H](N)CF MCULE-6312285034 [0,1,0,0,0,0|2,0,1]=4 541 B4R0.1 C[C@H](N)CF MCULE-7630744199 [0,1,0,0,0,0|2,0,1]=4 542 B4R0.1 C[C@H](N)CN MCULE-2048837128 [0,1,0,0,0,0|2,0,1]=4 543 B4R0.1 C[C@H](N)CN MCULE-4105152552 [0,1,0,0,0,0|2,0,1]=4 544 B4R0.1 C[C@H](N)CN MCULE-7106390536 [0,1,0,0,0,0|2,0,1]=4 545 B4R0.1 C[C@H](N)CN MCULE-9863306005 [0,1,0,0,0,0|2,0,1]=4 546 B4R0.1 C[C@H](N)CO MCULE-2471107013 [0,1,0,0,0,0|1,0,1]=3 547 B4R0.1 C[C@H](N)CO MCULE-5424195678 [0,1,0,0,0,0|1,0,1]=3 548 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [0,1,0,0,0,0|2,0,1]=4 549 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [0,1,0,0,0,0|2,0,1]=4 550 B4R0.1 C[C@H](O)CN MCULE-3227371869 [0,1,0,0,0,0|1,0,1]=3 551 B4R0.1 C[C@H](O)CN MCULE-5480489257 [0,1,0,0,0,0|1,0,1]=3 552 B4R0.1 C[C@H](O)CO MCULE-6582852191 [0,1,0,0,0,0|1,0,2]=4 553 B4R0.1 C[C@H](O)CO MCULE-8074793296 [0,1,0,0,0,0|1,0,2]=4 554 B4R0.1 C[C@H](O)CS MCULE-9061842733 [0,1,0,0,0,0|1,1,1]=4 555 B4R0.1 ClC=C(Cl)Cl MCULE-3945953656 [0,1,0,0,0,0|3,0,0]=4 556 B4R0.1 FC(=CBr)F MCULE-5114290777 [0,1,0,0,0,0|3,0,0]=4 557 B4R0.1 FC=C(Br)Br MCULE-3150710627 [0,1,0,0,0,0|3,0,0]=4 558 B4R0.1 FC=C(F)F MCULE-2449532887 [0,1,0,0,0,0|3,0,0]=4 559 B4R0.1 N=C(N)CCl MCULE-1495198330 [0,1,0,0,0,0|2,0,0]=3 560 B4R0.1 N=C(N)CCl MCULE-2087468158 [0,1,0,0,0,0|2,0,0]=3 561 B4R0.1 N=C(N)CF MCULE-4489534021 [0,1,0,0,0,0|2,0,0]=3 562 B4R0.1 N=C(N)CF MCULE-8858704396 [0,1,0,0,0,0|2,0,0]=3 563 B4R0.1 N=C(N)CN MCULE-2761790792 [0,1,0,0,0,0|2,0,0]=3 564 B4R0.1 N=C(N)CN MCULE-5131841850 [0,1,0,0,0,0|2,0,0]=3 565 B4R0.1 N=C(N)CN MCULE-6618111844 [0,1,0,0,0,0|2,0,0]=3 566 B4R0.1 N=C(N)CO MCULE-5146395919 [0,1,0,0,0,0|1,0,0]=2 567 B4R0.1 N=C(N)CO MCULE-8814507460 [0,1,0,0,0,0|1,0,0]=2 568 B4R0.1 N=C(N)NN MCULE-1109353559 [0,1,0,0,0,0|2,0,0]=3 569 B4R0.1 N=C(N)NN MCULE-3637328913 [0,1,0,0,0,0|2,0,0]=3 570 B4R0.1 N=C(N)NN MCULE-4551185793 [0,1,0,0,0,0|2,0,0]=3 571 B4R0.1 N=C(N)NN MCULE-8251830457 [0,1,0,0,0,0|2,0,0]=3 572 B4R0.1 N=C(N)NO MCULE-2554837832 [0,1,0,0,0,0|1,0,0]=2 573 B4R0.1 N=C(N)NO MCULE-5458374815 [0,1,0,0,0,0|1,0,0]=2 574 B4R0.1 N=C(N)NO MCULE-5913043834 [0,1,0,0,0,0|1,0,0]=2 575 B4R0.1 NC(=NO)N MCULE-7650923271 [0,1,0,0,0,0|1,0,0]=2 576 B4R0.1 NC(=O)CBr MCULE-9306090536 [0,1,0,0,0,0|1,0,0]=2 577 B4R0.1 NC(=O)CCl MCULE-3241549842 [0,1,0,0,0,0|1,0,0]=2 578 B4R0.1 NC(=O)CF MCULE-3344212657 [0,1,0,0,0,0|1,0,0]=2 579 B4R0.1 NC(=O)CI MCULE-4217973413 [0,1,0,0,0,0|1,0,0]=2 580 B4R0.1 NC(=O)CO MCULE-2739878376 [0,1,0,0,0,0|0,0,0]=1 581 B4R0.1 NC(=O)CS MCULE-2639305532 [0,1,0,0,0,0|0,1,0]=2 582 B4R0.1 NC(=O)NO MCULE-9465284053 [0,1,0,0,0,0|0,0,0]=1 583 B4R0.1 NC(=S)CF MCULE-7873791134 [0,1,0,0,0,0|1,1,0]=3 584 B4R0.1 NC(=S)CO MCULE-9301705313 [0,1,0,0,0,0|0,1,0]=2 585 B4R0.1 NCC(=O)N MCULE-1048848056 [0,1,0,0,0,0|1,0,0]=2 586 B4R0.1 NCC(=O)N MCULE-2174395809 [0,1,0,0,0,0|1,0,0]=2 587 B4R0.1 NCC(=O)N MCULE-6113166250 [0,1,0,0,0,0|1,0,0]=2 588 B4R0.1 NCC(=O)O MCULE-2415764032 [0,1,0,0,0,0|0,0,0]=1 589 B4R0.1 NCC(=O)O MCULE-3643110755 [0,1,0,0,0,0|0,0,0]=1 590 B4R0.1 NCC(=O)O MCULE-4349255299 [0,1,0,0,0,0|0,0,0]=1 591 B4R0.1 NCC(=O)O MCULE-9146223615 [0,1,0,0,0,0|0,0,0]=1 592 B4R0.1 NCC(=O)O MCULE-9701991737 [0,1,0,0,0,0|0,0,0]=1 593 B4R0.1 NCC(=O)S MCULE-9837799864 [0,1,0,0,0,0|0,1,0]=2 594 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [0,1,0,0,0,0|0,0,1]=2 595 B4R0.1 NCC(Cl)Cl MCULE-6022785182 [0,1,0,0,0,0|2,0,1]=4 596 B4R0.1 NCC(Cl)Cl MCULE-8181626787 [0,1,0,0,0,0|2,0,1]=4 597 B4R0.1 NCC(F)F MCULE-5562582586 [0,1,0,0,0,0|2,0,1]=4 598 B4R0.1 NCC(F)F MCULE-9437628707 [0,1,0,0,0,0|2,0,1]=4 599 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [0,1,0,0,0,0|1,0,1]=3 600 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [0,1,0,0,0,0|1,0,1]=3 601 B4R0.1 NN=C(N)N MCULE-4671721847 [0,1,0,0,0,0|2,0,0]=3 602 B4R0.1 NNC(=O)N MCULE-3392559370 [0,1,0,0,0,0|1,0,0]=2 603 B4R0.1 NNC(=O)N MCULE-8490374775 [0,1,0,0,0,0|1,0,0]=2 604 B4R0.1 NNC(=S)N MCULE-2970024636 [0,1,0,0,0,0|1,1,0]=3 605 B4R0.1 NNC(=S)N MCULE-6378380063 [0,1,0,0,0,0|1,1,0]=3 606 B4R0.1 O=C(Br)CBr MCULE-6031858200 [0,1,0,0,0,0|2,0,0]=3 607 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [0,1,0,0,0,0|2,0,0]=3 608 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [0,1,0,0,0,0|2,0,0]=3 609 B4R0.1 O=C(Cl)CF MCULE-7182087882 [0,1,0,0,0,0|2,0,0]=3 610 B4R0.1 O=C(Cl)CI MCULE-5719121455 [0,1,0,0,0,0|2,0,0]=3 611 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [0,1,0,0,0,0|1,1,0]=3 612 B4R0.1 O=C(O)CBr MCULE-1503716137 [0,1,0,0,0,0|1,0,0]=2 613 B4R0.1 O=C(O)CCl MCULE-9228754880 [0,1,0,0,0,0|1,0,0]=2 614 B4R0.1 O=C(O)CF MCULE-6584094437 [0,1,0,0,0,0|1,0,0]=2 615 B4R0.1 O=C(O)CI MCULE-3146792857 [0,1,0,0,0,0|1,0,0]=2 616 B4R0.1 O=C(O)CO MCULE-9792551388 [0,1,0,0,0,0|1,0,0]=2 617 B4R0.1 O=C(O)CS MCULE-8097997001 [0,1,0,0,0,0|1,0,0]=2 618 B4R0.1 O=C([O-])CF MCULE-8428965857 [0,1,0,0,0,0|1,0,1]=3 619 B4R0.1 O=C([O-])CO MCULE-2780567509 [0,1,0,0,0,0|1,0,0]=2 620 B4R0.1 O=C([O-])CS MCULE-3314809220 [0,1,0,0,0,0|1,0,1]=3 621 B4R0.1 O=C([O-])CS MCULE-5989133747 [0,1,0,0,0,0|1,0,1]=3 622 B4R0.1 O=CC(=O)O MCULE-5307898766 [0,1,0,0,0,0|1,0,0]=2 623 B4R0.1 O=CC(Cl)Cl MCULE-7925858204 [0,1,0,0,0,0|2,0,1]=4 624 B4R0.1 O=N(=O)CBr MCULE-5030744397 [0,1,0,0,0,0|2,0,1]=4 625 B4R0.1 O=N(=O)CF MCULE-9920695539 [0,1,0,0,0,0|2,0,1]=4 626 B4R0.1 O=S(O)CO MCULE-4195832185 [0,1,0,0,0,0|2,0,0]=3 627 B4R0.1 O=S([O-])CF MCULE-5711587598 [0,1,0,0,0,0|2,0,1]=4 628 B4R0.1 O=S([O-])CF MCULE-9276464291 [0,1,0,0,0,0|2,0,1]=4 629 B4R0.1 O=S([O-])CO MCULE-5211722344 [0,1,0,0,0,0|2,0,0]=3 630 B4R0.1 OB(O)CCl MCULE-1740750359 [0,1,0,0,0,0|2,0,1]=4 631 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [0,1,0,0,0,0|2,0,1]=4 632 B4R0.1 OCC(F)Br MCULE-5466660542 [0,1,0,0,0,0|2,0,1]=4 633 B4R0.1 OCC(F)F MCULE-3252378943 [0,1,0,0,0,0|2,0,1]=4 634 B4R0.1 ON=C(Br)Br MCULE-4053513648 [0,1,0,0,0,0|2,0,0]=3 635 B4R0.1 P(=O)(O)CN MCULE-5441171864 [0,1,0,0,0,0|1,0,0]=2 636 B4R0.1 [C@@H](C)(O)C#C MCULE-8971134855 [0,1,0,0,0,0|2,0,1]=4 637 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [0,1,0,0,0,0|1,0,1]=3 638 B4R0.1 [NH3+]NC(=N)N MCULE-6971198355 [0,1,0,0,0,0|2,0,0]=3 639 B4R0.3 CC(C)(C)N MCULE-6304532422 [0,1,0,0,0,0|2,0,1]=4 640 B4R0.3 CC(C)(C)N MCULE-7949511330 [0,1,0,0,0,0|2,0,1]=4 641 B4R0.3 CC(C)(C)O MCULE-2451492095 [0,1,0,0,0,0|2,0,1]=4 642 B4R0.3 CN(=O)(C)C MCULE-5376400909 [0,1,0,0,0,0|3,0,0]=4 643 B4R0.3 CP(=O)(C)C MCULE-2802987054 [0,1,0,0,0,0|3,0,0]=4 644 B4R0.3 CP(=O)(C)Cl MCULE-7288561548 [0,1,0,0,0,0|3,0,0]=4 645 B4R0.3 CP(=O)(C)O MCULE-6213882061 [0,1,0,0,0,0|2,0,0]=3 646 B4R0.3 CP(=O)(Cl)Cl MCULE-3354163551 [0,1,0,0,0,0|3,0,0]=4 647 B4R0.3 CP(=O)(O)O MCULE-1998702544 [0,1,0,0,0,0|2,0,0]=3 648 B4R0.3 CS(=N)(=O)C MCULE-2258256823 [0,1,0,0,0,0|2,0,1]=4 649 B4R0.3 CS(=N)(=O)C MCULE-9753633994 [0,1,0,0,0,0|2,0,1]=4 650 B4R0.3 CS(=O)(=O)C MCULE-3320409932 [0,1,0,0,0,0|2,0,1]=4 651 B4R0.3 CS(=O)(=O)Cl MCULE-2152421757 [0,1,0,0,0,0|2,0,1]=4 652 B4R0.3 CS(=O)(=O)N MCULE-3286513976 [0,1,0,0,0,0|1,0,1]=3 653 B4R0.3 CS(=O)(=O)O MCULE-3859614034 [0,1,0,0,0,0|2,0,0]=3 654 B4R0.3 CS(=O)(=O)O MCULE-6572487779 [0,1,0,0,0,0|2,0,0]=3 655 B4R0.3 CS(=O)(=O)O MCULE-9395657013 [0,1,0,0,0,0|2,0,0]=3 656 B4R0.3 CS(=O)(=O)S MCULE-8894274858 [0,1,0,0,0,0|2,0,1]=4 657 B4R0.3 CS(=O)(=O)[O-] MCULE-1087186932 [0,1,0,0,0,0|2,0,1]=4 658 B4R0.3 CS(=O)(=O)[O-] MCULE-3893369887 [0,1,0,0,0,0|2,0,1]=4 659 B4R0.3 CS(=O)(=S)[O-] MCULE-9870858882 [0,1,0,0,0,0|2,0,1]=4 660 B4R0.3 C[As](=O)(C)O MCULE-8596669108 [0,1,0,0,0,0|2,0,0]=3 661 B4R0.3 C[As](=O)(O)O MCULE-7801777602 [0,1,0,0,0,0|2,0,0]=3 662 B4R0.3 C[N+](C)(C)N MCULE-2241507629 [0,1,0,0,0,0|3,0,0]=4 663 B4R0.3 C[N+](C)(C)N MCULE-8001746254 [0,1,0,0,0,0|3,0,0]=4 664 B4R0.3 C[S+](=O)(C)C MCULE-2814839338 [0,1,0,0,0,0|3,0,0]=4 665 B4R0.3 C[S+](=O)(C)C MCULE-6233776311 [0,1,0,0,0,0|3,0,0]=4 666 B4R0.3 C[S+](=O)(C)C MCULE-8597659521 [0,1,0,0,0,0|3,0,0]=4 667 B4R0.3 C[S+](=O)(C)C MCULE-8812954810 [0,1,0,0,0,0|3,0,0]=4 668 B4R0.3 C[Si](C)(C)O MCULE-7661125809 [0,1,0,0,0,0|2,1,0]=4 669 B4R0.3 NS(=O)(=O)Cl MCULE-9522746996 [0,1,0,0,0,0|1,0,1]=3 670 B4R0.3 NS(=O)(=O)N MCULE-9292781774 [0,1,0,0,0,0|1,0,1]=3 671 B4R0.3 NS(=O)(=O)O MCULE-8047713803 [0,1,0,0,0,0|1,0,0]=2 672 B4R0.3 NS(=O)(=O)[O-] MCULE-2055121515 [0,1,0,0,0,0|1,0,1]=3 673 B4R0.3 NS(=O)(=O)[O-] MCULE-5233442923 [0,1,0,0,0,0|1,0,1]=3 674 B4R0.3 NS(=O)(=O)[O-] MCULE-6545653507 [0,1,0,0,0,0|1,0,1]=3 675 B4R0.3 O=Cl(=O)(=O)O MCULE-7968387576 [0,1,0,0,0,0|2,0,0]=3 676 B4R0.3 O=I(=O)(=O)O MCULE-4762970437 [0,1,0,0,0,0|2,0,0]=3 677 B4R0.3 O=P(Br)(Br)Br MCULE-5188433780 [0,1,0,0,0,0|3,0,0]=4 678 B4R0.3 O=P(Cl)(Cl)Cl MCULE-3355560202 [0,1,0,0,0,0|3,0,0]=4 679 B4R0.3 O=P(O)(F)F MCULE-8498033289 [0,1,0,0,0,0|2,0,0]=3 680 B4R0.3 O=P(O)(O)F MCULE-9464702088 [0,1,0,0,0,0|2,0,0]=3 681 B4R0.3 O=P(O)(O)O MCULE-2880016508 [0,1,0,0,0,0|2,0,0]=3 682 B4R0.3 O=P(O)(O)O MCULE-2910704584 [0,1,0,0,0,0|2,0,0]=3 683 B4R0.3 O=P(O)(O)O MCULE-3461094329 [0,1,0,0,0,0|2,0,0]=3 684 B4R0.3 O=P(O)(O)O MCULE-4434176486 [0,1,0,0,0,0|2,0,0]=3 685 B4R0.3 O=P(O)(O)O MCULE-5726619687 [0,1,0,0,0,0|2,0,0]=3 686 B4R0.3 O=P(O)(O)O MCULE-6927660115 [0,1,0,0,0,0|2,0,0]=3 687 B4R0.3 O=P([O-])(F)F MCULE-5261214757 [0,1,0,0,0,0|2,0,1]=4 688 B4R0.3 O=P([O-])([O-])F MCULE-5056688985 [0,1,0,0,0,0|2,0,1]=4 689 B4R0.3 O=P([O-])([O-])O MCULE-9042759446 [0,1,0,0,0,0|2,0,0]=3 690 B4R0.3 O=P([O-])([O-])[O-] MCULE-2171841719 [0,1,0,0,0,0|2,0,1]=4 691 B4R0.3 O=P([O-])([O-])[O-] MCULE-3277686341 [0,1,0,0,0,0|2,0,1]=4 692 B4R0.3 O=P([O-])([O-])[O-] MCULE-4646819703 [0,1,0,0,0,0|2,0,1]=4 693 B4R0.3 O=P([O-])([O-])[O-] MCULE-5875334297 [0,1,0,0,0,0|2,0,1]=4 694 B4R0.3 O=P([O-])([O-])[O-] MCULE-6247763591 [0,1,0,0,0,0|2,0,1]=4 695 B4R0.3 O=P([O-])([O-])[O-] MCULE-9159790331 [0,1,0,0,0,0|2,0,1]=4 696 B4R0.3 O=P([O-])([O-])[O-] MCULE-9662648180 [0,1,0,0,0,0|2,0,1]=4 697 B4R0.3 O=P([O-])([O-])[O-] MCULE-9692302969 [0,1,0,0,0,0|2,0,1]=4 698 B4R0.3 O=P([O-])([O-])[O-] MCULE-9800503391 [0,1,0,0,0,0|2,0,1]=4 699 B4R0.3 O=S(=O)(Cl)Cl MCULE-5561068833 [0,1,0,0,0,0|2,0,1]=4 700 B4R0.3 O=S(=O)(O)Cl MCULE-8480162218 [0,1,0,0,0,0|2,0,0]=3 701 B4R0.3 O=S(=O)(O)F MCULE-6611614216 [0,1,0,0,0,0|2,0,0]=3 702 B4R0.3 O=S(=O)(O)O MCULE-1504889908 [0,1,0,0,0,0|2,0,0]=3 703 B4R0.3 O=S(=O)(O)O MCULE-1840532235 [0,1,0,0,0,0|2,0,0]=3 704 B4R0.3 O=S(=O)(O)O MCULE-3157443351 [0,1,0,0,0,0|2,0,0]=3 705 B4R0.3 O=S(=O)(O)O MCULE-3551431822 [0,1,0,0,0,0|2,0,0]=3 706 B4R0.3 O=S(=O)(O)O MCULE-3633072096 [0,1,0,0,0,0|2,0,0]=3 707 B4R0.3 O=S(=O)(O)O MCULE-7421846921 [0,1,0,0,0,0|2,0,0]=3 708 B4R0.3 O=S(=O)(O)O MCULE-8481710376 [0,1,0,0,0,0|2,0,0]=3 709 B4R0.3 O=S(=O)(O)O MCULE-8508402601 [0,1,0,0,0,0|2,0,0]=3 710 B4R0.3 O=S(=O)(O)O MCULE-8725108786 [0,1,0,0,0,0|2,0,0]=3 711 B4R0.3 O=S(=O)(O)O MCULE-8745821726 [0,1,0,0,0,0|2,0,0]=3 712 B4R0.3 O=S(=O)(O)O MCULE-9074359856 [0,1,0,0,0,0|2,0,0]=3 713 B4R0.3 O=S(=O)(O)S MCULE-1871677467 [0,1,0,0,0,0|2,0,0]=3 714 B4R0.3 O=S(=O)([O-])F MCULE-7461058396 [0,1,0,0,0,0|2,0,1]=4 715 B4R0.3 O=S(=O)([O-])O MCULE-5828166967 [0,1,0,0,0,0|2,0,0]=3 716 B4R0.3 O=S(=O)([O-])[O-] MCULE-3007315603 [0,1,0,0,0,0|2,0,1]=4 717 B4R0.3 O=S(=O)([O-])[O-] MCULE-3104615142 [0,1,0,0,0,0|2,0,1]=4 718 B4R0.3 O=S(=O)([O-])[O-] MCULE-4064410091 [0,1,0,0,0,0|2,0,1]=4 719 B4R0.3 O=S(=O)([O-])[O-] MCULE-4882916349 [0,1,0,0,0,0|2,0,1]=4 720 B4R0.3 O=S(=O)([O-])[O-] MCULE-5082922188 [0,1,0,0,0,0|2,0,1]=4 721 B4R0.3 O=S(=O)([O-])[O-] MCULE-5841151164 [0,1,0,0,0,0|2,0,1]=4 722 B4R0.3 O=S(=O)([O-])[O-] MCULE-6468812636 [0,1,0,0,0,0|2,0,1]=4 723 B4R0.3 O=S(=O)([O-])[O-] MCULE-7772538108 [0,1,0,0,0,0|2,0,1]=4 724 B4R0.3 O=S(=O)([O-])[O-] MCULE-8611263724 [0,1,0,0,0,0|2,0,1]=4 725 B4R0.3 O=S(=O)([O-])[O-] MCULE-9214964102 [0,1,0,0,0,0|2,0,1]=4 726 B4R0.3 O=S(=O)([O-])[O-] MCULE-9577291118 [0,1,0,0,0,0|2,0,1]=4 727 B4R0.3 O=S(=O)([O-])[O-] MCULE-9619169352 [0,1,0,0,0,0|2,0,1]=4 728 B4R0.3 O=S(=O)([O-])[O-] MCULE-9654266000 [0,1,0,0,0,0|2,0,1]=4 729 B4R0.3 O=S(=S)([O-])[O-] MCULE-2115710321 [0,1,0,0,0,0|2,0,1]=4 730 B4R0.3 O=S(=S)([O-])[O-] MCULE-2960368113 [0,1,0,0,0,0|2,0,1]=4 731 B4R0.3 O=S(=S)([O-])[O-] MCULE-6041474246 [0,1,0,0,0,0|2,0,1]=4 732 B4R0.3 O=S(=S)([O-])[O-] MCULE-7138899133 [0,1,0,0,0,0|2,0,1]=4 733 B4R0.3 O=[Se](=O)(O)O MCULE-3321111440 [0,1,0,0,0,0|2,0,0]=3 734 B4R0.3 OP(=S)(O)O MCULE-5929707165 [0,1,0,0,0,0|2,0,1]=4 735 B4R0.3 O[Si](O)(O)O MCULE-9607200194 [0,1,0,0,0,0|1,1,1]=4 736 B4R1.2 CC1CN1 MCULE-2953452695 [0,0,0,1,0,0|2,0,1]=4 737 B4R1.2 CC1CO1 MCULE-4799904973 [0,0,0,1,0,0|2,0,1]=4 738 B4R1.2 CC1CO1 MCULE-9508255430 [0,0,0,1,0,0|2,0,1]=4 739 B4R1.2 C[C@@H]1CO1 MCULE-5437340901 [0,0,0,1,0,0|2,0,1]=4 740 B4R1.2 C[C@@H]1CO1 MCULE-6874302400 [0,0,0,1,0,0|2,0,1]=4 741 B4R1.2 C[C@H]1CO1 MCULE-4667457959 [0,0,0,1,0,0|2,0,1]=4 742 B4R1.2 NC1CC1 MCULE-1933360330 [0,0,0,1,0,0|2,0,1]=4 743 B4R1.2 NC1CC1 MCULE-6187070220 [0,0,0,1,0,0|2,0,1]=4 744 B4R1.2 OC1CC1 MCULE-8237846154 [0,0,0,1,0,0|2,0,1]=4 745 B4R1.2 [C@@H]1(CN1)C MCULE-4079798985 [0,0,0,1,0,0|2,0,1]=4 746 B1R0.1 B#N MCULE-8159199519 [2,0,0,0,0,0|1,0,1]=4 747 B1R0.1 BB MCULE-2371255947 [2,0,0,0,0,0|2,0,0]=4 748 B1R0.1 BrI MCULE-5496994170 [2,0,0,0,0,0|2,0,0]=4 749 B1R0.1 C=C MCULE-9947181734 [2,0,0,0,0,0|1,0,0]=3 750 B1R0.1 C=O MCULE-1476806907 [2,0,0,0,0,0|0,0,0]=2 751 B1R0.1 CBr MCULE-1876139964 [2,0,0,0,0,0|1,0,1]=4 752 B1R0.1 CC MCULE-8677953674 [2,0,0,0,0,0|1,0,1]=4 753 B1R0.1 CCl MCULE-5688128737 [2,0,0,0,0,0|1,0,1]=4 754 B1R0.1 CI MCULE-1718786667 [2,0,0,0,0,0|1,0,1]=4 755 B1R0.1 CN MCULE-1379281060 [2,0,0,0,0,0|0,0,1]=3 756 B1R0.1 CN MCULE-4450712424 [2,0,0,0,0,0|0,0,1]=3 757 B1R0.1 CO MCULE-1370061678 [2,0,0,0,0,0|0,0,1]=3 758 B1R0.1 C[NH3+] MCULE-5634967688 [2,0,0,0,0,0|0,0,2]=4 759 B1R0.1 C[NH3+] MCULE-7322614094 [2,0,0,0,0,0|0,0,2]=4 760 B1R0.1 ClI MCULE-2019940435 [2,0,0,0,0,0|2,0,0]=4 761 B1R0.1 II MCULE-3297948557 [2,0,0,0,0,0|2,0,0]=4 762 B1R0.1 II MCULE-5919576729 [2,0,0,0,0,0|2,0,0]=4 763 B1R0.1 N#P MCULE-2639766952 [2,0,0,0,0,0|1,0,1]=4 764 B1R0.1 N#[O+] MCULE-9241712465 [2,0,0,0,0,0|0,0,2]=4 765 B1R0.1 NN MCULE-1877427268 [2,0,0,0,0,0|1,0,0]=3 766 B1R0.1 NN MCULE-3450177274 [2,0,0,0,0,0|1,0,0]=3 767 B1R0.1 NN MCULE-4551624625 [2,0,0,0,0,0|1,0,0]=3 768 B1R0.1 NN MCULE-5020139420 [2,0,0,0,0,0|1,0,0]=3 769 B1R0.1 NN MCULE-8417340168 [2,0,0,0,0,0|1,0,0]=3 770 B1R0.1 NO MCULE-3913133443 [2,0,0,0,0,0|0,0,0]=2 771 B1R0.1 NO MCULE-6591509478 [2,0,0,0,0,0|0,0,0]=2 772 B1R0.1 OO MCULE-7159374318 [2,0,0,0,0,0|0,0,1]=3 773 B1R0.1 S=[Se] MCULE-6787169379 [2,0,0,0,0,0|0,2,0]=4 774 B1R0.1 SS MCULE-7607247045 [2,0,0,0,0,0|0,2,0]=4 775 B1R0.1 [NH3+]O MCULE-8258329819 [2,0,0,0,0,0|0,0,1]=3 776 B1R0.1 [NH3+]O MCULE-9305003292 [2,0,0,0,0,0|0,0,1]=3 777 B3R0.1 Br/C=C/Br MCULE-6284547614 [1,1,0,0,0,0|2,0,0]=4 778 B3R0.1 BrC=CBr MCULE-4478409345 [1,1,0,0,0,0|2,0,0]=4 779 B3R0.1 C#CC=O MCULE-4187736819 [1,1,0,0,0,0|1,0,0]=3 780 B3R0.1 C#CCN MCULE-3201948975 [1,1,0,0,0,0|1,0,1]=4 781 B3R0.1 C#CCN MCULE-6286515491 [1,1,0,0,0,0|1,0,1]=4 782 B3R0.1 C#CCO MCULE-3909200923 [1,1,0,0,0,0|1,0,1]=4 783 B3R0.1 C/B=N/O MCULE-5227399299 [1,1,0,0,0,0|2,0,0]=4 784 B3R0.1 C/C=C/Br MCULE-4076369660 [1,1,0,0,0,0|2,0,0]=4 785 B3R0.1 C/C=N/O MCULE-2376410404 [1,1,0,0,0,0|1,0,0]=3 786 B3R0.1 C=CC#N MCULE-8176403366 [1,1,0,0,0,0|1,0,1]=4 787 B3R0.1 C=CC=C MCULE-4134157329 [1,1,0,0,0,0|2,0,0]=4 788 B3R0.1 C=CC=O MCULE-2104890669 [1,1,0,0,0,0|1,0,0]=3 789 B3R0.1 C=CCBr MCULE-9486454833 [1,1,0,0,0,0|2,0,0]=4 790 B3R0.1 C=CCC MCULE-8167907130 [1,1,0,0,0,0|2,0,0]=4 791 B3R0.1 C=CCCl MCULE-4067772785 [1,1,0,0,0,0|2,0,0]=4 792 B3R0.1 C=CCF MCULE-7783191980 [1,1,0,0,0,0|2,0,0]=4 793 B3R0.1 C=CCI MCULE-5037698873 [1,1,0,0,0,0|2,0,0]=4 794 B3R0.1 C=CCN MCULE-2424616806 [1,1,0,0,0,0|1,0,0]=3 795 B3R0.1 C=CCN MCULE-2473480946 [1,1,0,0,0,0|1,0,0]=3 796 B3R0.1 C=CCO MCULE-2145308838 [1,1,0,0,0,0|1,0,0]=3 797 B3R0.1 C=CCS MCULE-7270484838 [1,1,0,0,0,0|1,1,0]=4 798 B3R0.1 C=COC MCULE-4880746684 [1,1,0,0,0,0|1,0,0]=3 799 B3R0.1 CC=CBr MCULE-2098755460 [1,1,0,0,0,0|2,0,0]=4 800 B3R0.1 CC=CCl MCULE-9225887510 [1,1,0,0,0,0|2,0,0]=4 801 B3R0.1 CC=NO MCULE-9761317381 [1,1,0,0,0,0|1,0,0]=3 802 B3R0.1 CCC=O MCULE-4079744837 [1,1,0,0,0,0|1,0,0]=3 803 B3R0.1 CCCN MCULE-2885523792 [1,1,0,0,0,0|1,0,1]=4 804 B3R0.1 CCCN MCULE-4318907091 [1,1,0,0,0,0|1,0,1]=4 805 B3R0.1 CCCN MCULE-6330457870 [1,1,0,0,0,0|1,0,1]=4 806 B3R0.1 CCCN MCULE-7146820007 [1,1,0,0,0,0|1,0,1]=4 807 B3R0.1 CCCO MCULE-6252105126 [1,1,0,0,0,0|1,0,1]=4 808 B3R0.1 CCNC MCULE-7215376398 [1,1,0,0,0,0|1,0,1]=4 809 B3R0.1 CCNC MCULE-9811899205 [1,1,0,0,0,0|1,0,1]=4 810 B3R0.1 CCNN MCULE-4753127904 [1,1,0,0,0,0|1,0,1]=4 811 B3R0.1 CCNN MCULE-7630363192 [1,1,0,0,0,0|1,0,1]=4 812 B3R0.1 CCNN MCULE-8402230944 [1,1,0,0,0,0|1,0,1]=4 813 B3R0.1 CCNO MCULE-1215586669 [1,1,0,0,0,0|1,0,1]=4 814 B3R0.1 CCNO MCULE-7075818857 [1,1,0,0,0,0|1,0,1]=4 815 B3R0.1 CCON MCULE-5316082054 [1,1,0,0,0,0|1,0,1]=4 816 B3R0.1 CCON MCULE-6621418839 [1,1,0,0,0,0|1,0,1]=4 817 B3R0.1 CCO[NH3+] MCULE-7670481464 [1,1,0,0,0,0|1,0,1]=4 818 B3R0.1 CCO[NH3+] MCULE-7871083232 [1,1,0,0,0,0|1,0,1]=4 819 B3R0.1 CN=C=O MCULE-7764606582 [1,1,0,0,0,0|0,0,2]=4 820 B3R0.1 CNC#N MCULE-9135475289 [1,1,0,0,0,0|1,0,1]=4 821 B3R0.1 CNC=O MCULE-4739122677 [1,1,0,0,0,0|0,0,0]=2 822 B3R0.1 CNC=S MCULE-1018523469 [1,1,0,0,0,0|0,1,0]=3 823 B3R0.1 CNNC MCULE-5932476941 [1,1,0,0,0,0|2,0,0]=4 824 B3R0.1 CNNC MCULE-6419598860 [1,1,0,0,0,0|2,0,0]=4 825 B3R0.1 CNOC MCULE-1706082503 [1,1,0,0,0,0|2,0,0]=4 826 B3R0.1 CNOC MCULE-6224540090 [1,1,0,0,0,0|2,0,0]=4 827 B3R0.1 COC=O MCULE-9122749354 [1,1,0,0,0,0|0,0,0]=2 828 B3R0.1 COCBr MCULE-2566721472 [1,1,0,0,0,0|1,0,1]=4 829 B3R0.1 COCCl MCULE-5928768006 [1,1,0,0,0,0|1,0,1]=4 830 B3R0.1 COCI MCULE-5215132549 [1,1,0,0,0,0|1,0,1]=4 831 B3R0.1 Cl/C=C/Cl MCULE-8326307647 [1,1,0,0,0,0|2,0,0]=4 832 B3R0.1 Cl/C=C\Cl MCULE-8638364223 [1,1,0,0,0,0|2,0,0]=4 833 B3R0.1 ClC=CCl MCULE-1709740532 [1,1,0,0,0,0|2,0,0]=4 834 B3R0.1 F/C=C/Cl MCULE-6748930384 [1,1,0,0,0,0|2,0,0]=4 835 B3R0.1 FC=CBr MCULE-3730796032 [1,1,0,0,0,0|2,0,0]=4 836 B3R0.1 FC=CCl MCULE-8668714110 [1,1,0,0,0,0|2,0,0]=4 837 B3R0.1 FC=CF MCULE-1668825245 [1,1,0,0,0,0|2,0,0]=4 838 B3R0.1 N#CCN MCULE-6677928349 [1,1,0,0,0,0|1,0,1]=4 839 B3R0.1 N#CCN MCULE-6699419972 [1,1,0,0,0,0|1,0,1]=4 840 B3R0.1 N/C=N/O MCULE-9567664507 [1,1,0,0,0,0|0,0,0]=2 841 B3R0.1 NCCBr MCULE-3401124597 [1,1,0,0,0,0|1,0,1]=4 842 B3R0.1 NCCBr MCULE-6215378497 [1,1,0,0,0,0|1,0,1]=4 843 B3R0.1 NCCCl MCULE-1458699843 [1,1,0,0,0,0|1,0,1]=4 844 B3R0.1 NCCCl MCULE-6944306112 [1,1,0,0,0,0|1,0,1]=4 845 B3R0.1 NCCF MCULE-1670520169 [1,1,0,0,0,0|1,0,1]=4 846 B3R0.1 NCCF MCULE-4963351029 [1,1,0,0,0,0|1,0,1]=4 847 B3R0.1 NCCI MCULE-6905308399 [1,1,0,0,0,0|1,0,1]=4 848 B3R0.1 NCCI MCULE-7487764362 [1,1,0,0,0,0|1,0,1]=4 849 B3R0.1 NCCN MCULE-4740333723 [1,1,0,0,0,0|1,0,1]=4 850 B3R0.1 NCCN MCULE-6795272853 [1,1,0,0,0,0|1,0,1]=4 851 B3R0.1 NCCN MCULE-8304126024 [1,1,0,0,0,0|1,0,1]=4 852 B3R0.1 NCCN MCULE-8325612144 [1,1,0,0,0,0|1,0,1]=4 853 B3R0.1 NCCO MCULE-5175116598 [1,1,0,0,0,0|0,0,1]=3 854 B3R0.1 NCCO MCULE-8624730373 [1,1,0,0,0,0|0,0,1]=3 855 B3R0.1 NCCS MCULE-1838427828 [1,1,0,0,0,0|0,1,1]=4 856 B3R0.1 NCCS MCULE-2418938683 [1,1,0,0,0,0|0,1,1]=4 857 B3R0.1 NNC=O MCULE-6986968107 [1,1,0,0,0,0|0,0,0]=2 858 B3R0.1 NOC=O MCULE-4489199776 [1,1,0,0,0,0|0,0,0]=2 859 B3R0.1 O=CC=O MCULE-3212938778 [1,1,0,0,0,0|0,0,1]=3 860 B3R0.1 O=CCBr MCULE-9076011270 [1,1,0,0,0,0|1,0,0]=3 861 B3R0.1 O=CCCl MCULE-7307216184 [1,1,0,0,0,0|1,0,0]=3 862 B3R0.1 O=CCI MCULE-1146810366 [1,1,0,0,0,0|1,0,0]=3 863 B3R0.1 OCCBr MCULE-5097256006 [1,1,0,0,0,0|1,0,1]=4 864 B3R0.1 OCCCl MCULE-5139580173 [1,1,0,0,0,0|1,0,1]=4 865 B3R0.1 OCCF MCULE-7590677201 [1,1,0,0,0,0|1,0,1]=4 866 B3R0.1 OCCI MCULE-8359750387 [1,1,0,0,0,0|1,0,1]=4 867 B3R0.1 OCCO MCULE-6366313128 [1,1,0,0,0,0|0,0,2]=4 868 B3R0.1 OCCS MCULE-2252943288 [1,1,0,0,0,0|0,1,1]=4 869 B5R0.1 C#CCC(=O)O MCULE-4680699666 [0,2,0,0,0,0|1,0,0]=3 870 B5R0.1 C(C)(N)CCO MCULE-5545469271 [0,2,0,0,0,0|1,0,1]=4 871 B5R0.1 C/C(=C/C#N)/N MCULE-2195544039 [0,2,0,0,0,0|2,0,0]=4 872 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [0,2,0,0,0,0|2,0,0]=4 873 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [0,2,0,0,0,0|2,0,0]=4 874 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [0,2,0,0,0,0|2,0,0]=4 875 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [0,2,0,0,0,0|2,0,0]=4 876 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [0,2,0,0,0,0|1,0,0]=3 877 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [0,2,0,0,0,0|1,0,0]=3 878 B5R0.1 C=C(Br)CCO MCULE-3743908958 [0,2,0,0,0,0|2,0,0]=4 879 B5R0.1 C=C(Br)COC MCULE-5349428431 [0,2,0,0,0,0|2,0,0]=4 880 B5R0.1 C=C(C)CCN MCULE-4037025602 [0,2,0,0,0,0|2,0,0]=4 881 B5R0.1 C=C(C)CCN MCULE-5001503744 [0,2,0,0,0,0|2,0,0]=4 882 B5R0.1 C=C(C)CCO MCULE-2689800711 [0,2,0,0,0,0|2,0,0]=4 883 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,2,0,0,0,0|2,0,0]=4 884 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,2,0,0,0,0|2,0,0]=4 885 B5R0.1 C=C(C)CNN MCULE-1117931770 [0,2,0,0,0,0|2,0,0]=4 886 B5R0.1 C=C(C)CON MCULE-2773974323 [0,2,0,0,0,0|2,0,0]=4 887 B5R0.1 C=C(C)CON MCULE-5978680243 [0,2,0,0,0,0|2,0,0]=4 888 B5R0.1 C=C(C)OCC MCULE-5303468686 [0,2,0,0,0,0|2,0,0]=4 889 B5R0.1 C=CCC(=N)N MCULE-6305125234 [0,2,0,0,0,0|2,0,0]=4 890 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [0,2,0,0,0,0|2,0,0]=4 891 B5R0.1 C=CCC(=O)N MCULE-1205335257 [0,2,0,0,0,0|1,0,0]=3 892 B5R0.1 C=CCC(=O)O MCULE-6288979337 [0,2,0,0,0,0|1,0,0]=3 893 B5R0.1 C=CNC(=O)C MCULE-1260296806 [0,2,0,0,0,0|1,0,0]=3 894 B5R0.1 C=CNC(=O)N MCULE-4235216182 [0,2,0,0,0,0|1,0,0]=3 895 B5R0.1 C=COC(=O)C MCULE-7626795765 [0,2,0,0,0,0|1,0,0]=3 896 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [0,2,0,0,0,0|1,0,0]=3 897 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [0,2,0,0,0,0|1,0,1]=4 898 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,2,0,0,0,0|1,0,0]=3 899 B5R0.1 C=NCC(=S)N MCULE-6261527142 [0,2,0,0,0,0|1,1,0]=4 900 B5R0.1 CC#CC(=O)C MCULE-4083248904 [0,2,0,0,0,0|2,0,0]=4 901 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [0,2,0,0,0,0|2,0,0]=4 902 B5R0.1 CC#CC(=O)O MCULE-9994142213 [0,2,0,0,0,0|1,0,0]=3 903 B5R0.1 CC(=CC#N)N MCULE-7342293837 [0,2,0,0,0,0|2,0,0]=4 904 B5R0.1 CC(=CC=O)C MCULE-7002222435 [0,2,0,0,0,0|2,0,0]=4 905 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [0,2,0,0,0,0|2,0,0]=4 906 B5R0.1 CC(=CC=O)N MCULE-2659507627 [0,2,0,0,0,0|1,0,0]=3 907 B5R0.1 CC(=CCN)C MCULE-7220252581 [0,2,0,0,0,0|2,0,0]=4 908 B5R0.1 CC(=CCN)C MCULE-8394581250 [0,2,0,0,0,0|2,0,0]=4 909 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [0,2,0,0,0,0|2,0,0]=4 910 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [0,2,0,0,0,0|2,0,0]=4 911 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,2,0,0,0,0|2,0,0]=4 912 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,2,0,0,0,0|2,0,0]=4 913 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,2,0,0,0,0|2,0,0]=4 914 B5R0.1 CC(=N)NC#N MCULE-7065360421 [0,2,0,0,0,0|2,0,0]=4 915 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,2,0,0,0,0|1,0,0]=3 916 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,2,0,0,0,0|1,0,0]=3 917 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [0,2,0,0,0,0|1,0,1]=4 918 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,2,0,0,0,0|1,0,0]=3 919 B5R0.1 CC(=O)CC#N MCULE-7203242552 [0,2,0,0,0,0|1,0,1]=4 920 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,2,0,0,0,0|2,0,0]=4 921 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,2,0,0,0,0|2,0,0]=4 922 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,2,0,0,0,0|1,0,0]=3 923 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,2,0,0,0,0|1,0,0]=3 924 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,2,0,0,0,0|1,0,0]=3 925 B5R0.1 CC(=O)N=C=S MCULE-7540453687 [0,2,0,0,0,0|1,0,1]=4 926 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [0,2,0,0,0,0|1,0,1]=4 927 B5R0.1 CC(=O)NC#N MCULE-8444599659 [0,2,0,0,0,0|1,0,0]=3 928 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,2,0,0,0,0|1,0,0]=3 929 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,2,0,0,0,0|1,0,0]=3 930 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,2,0,0,0,0|1,0,0]=3 931 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,2,0,0,0,0|1,1,0]=4 932 B5R0.1 CC(N)CCO MCULE-1771399942 [0,2,0,0,0,0|1,0,1]=4 933 B5R0.1 CC(N)CCO MCULE-7239872808 [0,2,0,0,0,0|1,0,1]=4 934 B5R0.1 CC(O)CCN MCULE-6836791276 [0,2,0,0,0,0|1,0,1]=4 935 B5R0.1 CC(O)CCN MCULE-7186260925 [0,2,0,0,0,0|1,0,1]=4 936 B5R0.1 CC(O)CNN MCULE-4956670781 [0,2,0,0,0,0|1,0,1]=4 937 B5R0.1 CC(O)CNN MCULE-7917439573 [0,2,0,0,0,0|1,0,1]=4 938 B5R0.1 CC(O)CON MCULE-1051091134 [0,2,0,0,0,0|1,0,1]=4 939 B5R0.1 CC(O)CON MCULE-6722092589 [0,2,0,0,0,0|1,0,1]=4 940 B5R0.1 CC=CC(=O)C MCULE-4826977340 [0,2,0,0,0,0|2,0,0]=4 941 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [0,2,0,0,0,0|2,0,0]=4 942 B5R0.1 CC=CC(=O)N MCULE-9693879476 [0,2,0,0,0,0|1,0,0]=3 943 B5R0.1 CC=CC(=O)O MCULE-7970410217 [0,2,0,0,0,0|1,0,0]=3 944 B5R0.1 CCCC(=N)N MCULE-5974105638 [0,2,0,0,0,0|2,0,0]=4 945 B5R0.1 CCCC(=N)N MCULE-9230704591 [0,2,0,0,0,0|2,0,0]=4 946 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,2,0,0,0,0|2,0,0]=4 947 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,2,0,0,0,0|2,0,0]=4 948 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,2,0,0,0,0|1,0,0]=3 949 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,2,0,0,0,0|1,0,0]=3 950 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,2,0,0,0,0|1,0,1]=4 951 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,2,0,0,0,0|1,0,1]=4 952 B5R0.1 CCCC(=S)N MCULE-3529335988 [0,2,0,0,0,0|1,1,0]=4 953 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,2,0,0,0,0|1,1,0]=4 954 B5R0.1 CCNC(=N)N MCULE-4729418155 [0,2,0,0,0,0|2,0,0]=4 955 B5R0.1 CCNC(=N)N MCULE-5123343071 [0,2,0,0,0,0|2,0,0]=4 956 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,2,0,0,0,0|1,0,0]=3 957 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [0,2,0,0,0,0|1,0,0]=3 958 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,2,0,0,0,0|1,0,0]=3 959 B5R0.1 CCNC(=S)N MCULE-3849517146 [0,2,0,0,0,0|1,1,0]=4 960 B5R0.1 CCOC(=N)C MCULE-3060267072 [0,2,0,0,0,0|1,0,1]=4 961 B5R0.1 CCOC(=N)C MCULE-3943786182 [0,2,0,0,0,0|1,0,1]=4 962 B5R0.1 CCOC(=N)N MCULE-3570858508 [0,2,0,0,0,0|1,0,0]=3 963 B5R0.1 CCOC(=N)N MCULE-6061063856 [0,2,0,0,0,0|1,0,0]=3 964 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,2,0,0,0,0|1,0,0]=3 965 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [0,2,0,0,0,0|1,0,0]=3 966 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,2,0,0,0,0|0,0,0]=2 967 B5R0.1 CCOC(=S)C MCULE-3358897597 [0,2,0,0,0,0|1,1,0]=4 968 B5R0.1 CCOC(=S)N MCULE-4649285010 [0,2,0,0,0,0|0,1,0]=3 969 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [0,2,0,0,0,0|1,1,0]=4 970 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [0,2,0,0,0,0|1,1,0]=4 971 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [0,2,0,0,0,0|1,1,0]=4 972 B5R0.1 CCSC(=N)N MCULE-2161729152 [0,2,0,0,0,0|1,1,0]=4 973 B5R0.1 CCSC(=N)N MCULE-2547252984 [0,2,0,0,0,0|1,1,0]=4 974 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,2,0,0,0,0|1,1,0]=4 975 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [0,2,0,0,0,0|2,0,0]=4 976 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [0,2,0,0,0,0|1,0,1]=4 977 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [0,2,0,0,0,0|1,0,1]=4 978 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,2,0,0,0,0|1,0,0]=3 979 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,2,0,0,0,0|1,0,0]=3 980 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,2,0,0,0,0|1,0,0]=3 981 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,2,0,0,0,0|1,0,0]=3 982 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,2,0,0,0,0|1,0,0]=3 983 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,2,0,0,0,0|0,0,0]=2 984 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,2,0,0,0,0|0,0,0]=2 985 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,2,0,0,0,0|0,0,1]=3 986 B5R0.1 CNCC(C)O MCULE-3671071529 [0,2,0,0,0,0|1,0,1]=4 987 B5R0.1 CNCC(C)O MCULE-4171705304 [0,2,0,0,0,0|1,0,1]=4 988 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [0,2,0,0,0,0|1,0,1]=4 989 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [0,2,0,0,0,0|1,0,1]=4 990 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [0,2,0,0,0,0|1,0,1]=4 991 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [0,2,0,0,0,0|1,0,1]=4 992 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [0,2,0,0,0,0|1,0,1]=4 993 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [0,2,0,0,0,0|1,0,1]=4 994 B5R0.1 CNN=C(C)C MCULE-6307375856 [0,2,0,0,0,0|2,0,0]=4 995 B5R0.1 CNNC(=S)N MCULE-5838387497 [0,2,0,0,0,0|1,1,0]=4 996 B5R0.1 CNOC(=O)C MCULE-1464426541 [0,2,0,0,0,0|1,0,0]=3 997 B5R0.1 CNOC(=O)C MCULE-2976282666 [0,2,0,0,0,0|1,0,0]=3 998 B5R0.1 COC=C(C)C MCULE-6348538911 [0,2,0,0,0,0|2,0,0]=4 999 B5R0.1 COCC(=N)N MCULE-4711728356 [0,2,0,0,0,0|1,0,0]=3 1000 B5R0.1 COCC(=N)N MCULE-7163250467 [0,2,0,0,0,0|1,0,0]=3 1001 B5R0.1 COCC(=O)C MCULE-7262197587 [0,2,0,0,0,0|1,0,0]=3 1002 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,2,0,0,0,0|1,0,0]=3 1003 B5R0.1 COCC(=O)N MCULE-6674958132 [0,2,0,0,0,0|0,0,0]=2 1004 B5R0.1 COCC(=O)O MCULE-3945589151 [0,2,0,0,0,0|1,0,0]=3 1005 B5R0.1 COCC(=S)N MCULE-2046809269 [0,2,0,0,0,0|0,1,0]=3 1006 B5R0.1 COCC(C)N MCULE-1896873634 [0,2,0,0,0,0|1,0,1]=4 1007 B5R0.1 COCC(C)N MCULE-2549420211 [0,2,0,0,0,0|1,0,1]=4 1008 B5R0.1 COCC(C)N MCULE-3490410444 [0,2,0,0,0,0|1,0,1]=4 1009 B5R0.1 COCC(C)N MCULE-7089888882 [0,2,0,0,0,0|1,0,1]=4 1010 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [0,2,0,0,0,0|1,0,1]=4 1011 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [0,2,0,0,0,0|1,0,1]=4 1012 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [0,2,0,0,0,0|1,0,1]=4 1013 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [0,2,0,0,0,0|1,0,1]=4 1014 B5R0.1 COC[C@H](C)N MCULE-2465679418 [0,2,0,0,0,0|1,0,1]=4 1015 B5R0.1 COC[C@H](C)N MCULE-2998593539 [0,2,0,0,0,0|1,0,1]=4 1016 B5R0.1 COC[C@H](C)N MCULE-3161045661 [0,2,0,0,0,0|1,0,1]=4 1017 B5R0.1 COC[C@H](C)N MCULE-9550165578 [0,2,0,0,0,0|1,0,1]=4 1018 B5R0.1 CONC(=O)C MCULE-6601866630 [0,2,0,0,0,0|1,0,0]=3 1019 B5R0.1 CONC(=O)N MCULE-3063713861 [0,2,0,0,0,0|0,0,0]=2 1020 B5R0.1 CONC(=S)C MCULE-1876042939 [0,2,0,0,0,0|1,1,0]=4 1021 B5R0.1 CS(=O)CCN MCULE-6497874560 [0,2,0,0,0,0|2,0,0]=4 1022 B5R0.1 CS(=O)CCN MCULE-8275663766 [0,2,0,0,0,0|2,0,0]=4 1023 B5R0.1 CS(=O)CCN MCULE-8330490290 [0,2,0,0,0,0|2,0,0]=4 1024 B5R0.1 CS(=O)CCO MCULE-8331553582 [0,2,0,0,0,0|2,0,0]=4 1025 B5R0.1 CSCC(=N)N MCULE-7800929509 [0,2,0,0,0,0|1,1,0]=4 1026 B5R0.1 CSCC(=N)N MCULE-8499985777 [0,2,0,0,0,0|1,1,0]=4 1027 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,2,0,0,0,0|1,1,0]=4 1028 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [0,2,0,0,0,0|1,1,0]=4 1029 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,2,0,0,0,0|0,1,0]=3 1030 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,2,0,0,0,0|1,0,0]=3 1031 B5R0.1 CSCC(=S)N MCULE-5029100305 [0,2,0,0,0,0|0,2,0]=4 1032 B5R0.1 CSNC(=O)C MCULE-7350061514 [0,2,0,0,0,0|1,0,0]=3 1033 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [0,2,0,0,0,0|1,0,1]=4 1034 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [0,2,0,0,0,0|1,0,1]=4 1035 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [0,2,0,0,0,0|1,0,1]=4 1036 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [0,2,0,0,0,0|1,0,1]=4 1037 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [0,2,0,0,0,0|1,0,1]=4 1038 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [0,2,0,0,0,0|1,0,1]=4 1039 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [0,2,0,0,0,0|1,0,1]=4 1040 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [0,2,0,0,0,0|1,0,1]=4 1041 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [0,2,0,0,0,0|1,0,1]=4 1042 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [0,2,0,0,0,0|1,0,1]=4 1043 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [0,2,0,0,0,0|1,0,1]=4 1044 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [0,2,0,0,0,0|1,0,1]=4 1045 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [0,2,0,0,0,0|1,0,1]=4 1046 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [0,2,0,0,0,0|1,0,1]=4 1047 B5R0.1 C[C@H](O)CON MCULE-4216605221 [0,2,0,0,0,0|1,0,1]=4 1048 B5R0.1 C[C@H](O)CON MCULE-9863094719 [0,2,0,0,0,0|1,0,1]=4 1049 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [0,2,0,0,0,0|2,0,0]=4 1050 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [0,2,0,0,0,0|1,0,1]=4 1051 B5R0.1 N#CCC(=O)N MCULE-8538286230 [0,2,0,0,0,0|1,0,0]=3 1052 B5R0.1 N#CCC(=O)O MCULE-3440765061 [0,2,0,0,0,0|0,0,1]=3 1053 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [0,2,0,0,0,0|0,0,2]=4 1054 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [0,2,0,0,0,0|0,0,2]=4 1055 B5R0.1 N#CCC(=S)N MCULE-6348216099 [0,2,0,0,0,0|1,1,0]=4 1056 B5R0.1 N#CCC(=[Se])N MCULE-7730610345 [0,2,0,0,0,0|1,1,0]=4 1057 B5R0.1 N#CN=C(N)N MCULE-3951314719 [0,2,0,0,0,0|2,0,0]=4 1058 B5R0.1 N=C(N)CCCl MCULE-2314996365 [0,2,0,0,0,0|2,0,0]=4 1059 B5R0.1 N=C(N)CCCl MCULE-3129838313 [0,2,0,0,0,0|2,0,0]=4 1060 B5R0.1 N=C(N)CCO MCULE-4567824707 [0,2,0,0,0,0|1,0,0]=3 1061 B5R0.1 N=C(N)CCO MCULE-7139693715 [0,2,0,0,0,0|1,0,0]=3 1062 B5R0.1 N=C(N)NC=O MCULE-2702198735 [0,2,0,0,0,0|1,0,0]=3 1063 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [0,2,0,0,0,0|1,0,0]=3 1064 B5R0.1 NC(=O)C=NO MCULE-6447662753 [0,2,0,0,0,0|0,0,0]=2 1065 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,2,0,0,0,0|1,0,0]=3 1066 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,2,0,0,0,0|1,0,0]=3 1067 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,2,0,0,0,0|0,0,0]=2 1068 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,2,0,0,0,0|0,1,0]=3 1069 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,2,0,0,0,0|0,0,0]=2 1070 B5R0.1 NC(=O)NN=O MCULE-2820469915 [0,2,0,0,0,0|0,0,1]=3 1071 B5R0.1 NCC=C(Cl)Cl MCULE-6555955942 [0,2,0,0,0,0|2,0,0]=4 1072 B5R0.1 NCC=C(Cl)Cl MCULE-9019653665 [0,2,0,0,0,0|2,0,0]=4 1073 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,2,0,0,0,0|1,0,0]=3 1074 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,2,0,0,0,0|1,0,0]=3 1075 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,2,0,0,0,0|1,0,0]=3 1076 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,2,0,0,0,0|0,0,0]=2 1077 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,2,0,0,0,0|0,0,0]=2 1078 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,2,0,0,0,0|0,0,0]=2 1079 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,2,0,0,0,0|0,0,1]=3 1080 B5R0.1 NCCN(=O)=O MCULE-8137427440 [0,2,0,0,0,0|1,0,1]=4 1081 B5R0.1 NCCP(=O)O MCULE-7093964616 [0,2,0,0,0,0|1,0,0]=3 1082 B5R0.1 NCCS(=O)O MCULE-4372248641 [0,2,0,0,0,0|1,0,0]=3 1083 B5R0.1 NNCC(=O)N MCULE-2794619708 [0,2,0,0,0,0|1,0,0]=3 1084 B5R0.1 NNCC(=O)N MCULE-6773156087 [0,2,0,0,0,0|1,0,0]=3 1085 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,2,0,0,0,0|0,0,0]=2 1086 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,2,0,0,0,0|0,0,0]=2 1087 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,2,0,0,0,0|0,0,0]=2 1088 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,2,0,0,0,0|0,0,0]=2 1089 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,2,0,0,0,0|0,0,0]=2 1090 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [0,2,0,0,0,0|2,0,0]=4 1091 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,2,0,0,0,0|2,0,0]=4 1092 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [0,2,0,0,0,0|2,0,0]=4 1093 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [0,2,0,0,0,0|2,0,0]=4 1094 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [0,2,0,0,0,0|1,0,0]=3 1095 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [0,2,0,0,0,0|1,0,0]=3 1096 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [0,2,0,0,0,0|1,0,0]=3 1097 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [0,2,0,0,0,0|1,0,0]=3 1098 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [0,2,0,0,0,0|1,0,0]=3 1099 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [0,2,0,0,0,0|1,0,0]=3 1100 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [0,2,0,0,0,0|1,0,0]=3 1101 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [0,2,0,0,0,0|0,0,1]=3 1102 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [0,2,0,0,0,0|1,0,0]=3 1103 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [0,2,0,0,0,0|1,0,0]=3 1104 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [0,2,0,0,0,0|1,0,0]=3 1105 B5R0.1 O=C(O)C=CI MCULE-7162332129 [0,2,0,0,0,0|1,0,0]=3 1106 B5R0.1 O=C(O)C=NO MCULE-2039309679 [0,2,0,0,0,0|0,0,1]=3 1107 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,2,0,0,0,0|1,0,0]=3 1108 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,2,0,0,0,0|1,0,0]=3 1109 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,2,0,0,0,0|1,0,0]=3 1110 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,2,0,0,0,0|1,0,0]=3 1111 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,2,0,0,0,0|1,0,0]=3 1112 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,2,0,0,0,0|1,0,0]=3 1113 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,2,0,0,0,0|0,0,0]=2 1114 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [0,2,0,0,0,0|1,0,0]=3 1115 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [0,2,0,0,0,0|1,0,0]=3 1116 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [0,2,0,0,0,0|1,0,1]=4 1117 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,2,0,0,0,0|1,0,0]=3 1118 B5R0.1 O=N(=O)CCO MCULE-2060841405 [0,2,0,0,0,0|2,0,0]=4 1119 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [0,2,0,0,0,0|2,0,0]=4 1120 B5R0.1 P(=O)(O)C=C=C MCULE-4922910477 [0,2,0,0,0,0|2,0,0]=4 1121 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [0,2,0,0,0,0|1,0,1]=4 1122 B5R0.3 C#CC(=O)CC MCULE-1563732373 [0,2,0,0,0,0|2,0,0]=4 1123 B5R0.3 C#CC(=O)NC MCULE-8852565705 [0,2,0,0,0,0|1,0,0]=3 1124 B5R0.3 C#CC(=O)OC MCULE-5108326717 [0,2,0,0,0,0|1,0,0]=3 1125 B5R0.3 C#CC(N)CO MCULE-2442851523 [0,2,0,0,0,0|1,0,1]=4 1126 B5R0.3 C#CC(N)CO MCULE-3866086926 [0,2,0,0,0,0|1,0,1]=4 1127 B5R0.3 C#C[C@H](N)CO MCULE-2312982984 [0,2,0,0,0,0|1,0,1]=4 1128 B5R0.3 C#C[C@H](N)CO MCULE-8124038281 [0,2,0,0,0,0|1,0,1]=4 1129 B5R0.3 C#C[C@H](N)CO MCULE-8753140181 [0,2,0,0,0,0|1,0,1]=4 1130 B5R0.3 C#C[C@H](N)CO MCULE-9874393436 [0,2,0,0,0,0|1,0,1]=4 1131 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [0,2,0,0,0,0|1,0,0]=3 1132 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [0,2,0,0,0,0|2,0,0]=4 1133 B5R0.3 C/N=C(\N)/SC MCULE-1114021101 [0,2,0,0,0,0|1,1,0]=4 1134 B5R0.3 C/N=C(\N)/SC MCULE-4249574209 [0,2,0,0,0,0|1,1,0]=4 1135 B5R0.3 C=C(C#N)CO MCULE-4330549804 [0,2,0,0,0,0|1,0,1]=4 1136 B5R0.3 C=C(C=O)CC MCULE-2875154067 [0,2,0,0,0,0|2,0,0]=4 1137 B5R0.3 C=C(CC)CN MCULE-2269385026 [0,2,0,0,0,0|2,0,0]=4 1138 B5R0.3 C=C(CC)CN MCULE-3033447984 [0,2,0,0,0,0|2,0,0]=4 1139 B5R0.3 C=C(CC)CO MCULE-8127766352 [0,2,0,0,0,0|2,0,0]=4 1140 B5R0.3 C=C(CN)CN MCULE-5063132725 [0,2,0,0,0,0|2,0,0]=4 1141 B5R0.3 C=C(CO)CBr MCULE-9563589949 [0,2,0,0,0,0|2,0,0]=4 1142 B5R0.3 C=C(CO)CO MCULE-2682601949 [0,2,0,0,0,0|1,0,1]=4 1143 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [0,2,0,0,0,0|2,0,0]=4 1144 B5R0.3 C=CC(=O)CC MCULE-7277696617 [0,2,0,0,0,0|2,0,0]=4 1145 B5R0.3 C=CC(=O)NC MCULE-5619481947 [0,2,0,0,0,0|1,0,0]=3 1146 B5R0.3 C=CC(=O)NN MCULE-4327484127 [0,2,0,0,0,0|1,0,0]=3 1147 B5R0.3 C=CC(=O)NN MCULE-4961696321 [0,2,0,0,0,0|1,0,0]=3 1148 B5R0.3 C=CC(=O)NO MCULE-9528737042 [0,2,0,0,0,0|1,0,0]=3 1149 B5R0.3 C=CC(=O)OC MCULE-6010665978 [0,2,0,0,0,0|1,0,0]=3 1150 B5R0.3 C=CC(N)CO MCULE-2457433196 [0,2,0,0,0,0|1,0,1]=4 1151 B5R0.3 C=CC(N)CO MCULE-6697949182 [0,2,0,0,0,0|1,0,1]=4 1152 B5R0.3 C=CC(N)CO MCULE-7137123222 [0,2,0,0,0,0|1,0,1]=4 1153 B5R0.3 C=CC(N)CO MCULE-8388687355 [0,2,0,0,0,0|1,0,1]=4 1154 B5R0.3 C=CC(O)CN MCULE-3472823475 [0,2,0,0,0,0|1,0,1]=4 1155 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [0,2,0,0,0,0|1,0,1]=4 1156 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [0,2,0,0,0,0|1,0,1]=4 1157 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [0,2,0,0,0,0|1,0,1]=4 1158 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [0,2,0,0,0,0|1,0,1]=4 1159 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [0,2,0,0,0,0|1,0,1]=4 1160 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [0,2,0,0,0,0|1,0,1]=4 1161 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [0,2,0,0,0,0|1,0,1]=4 1162 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [0,2,0,0,0,0|1,0,1]=4 1163 B5R0.3 CC(=CI)CO MCULE-8491569199 [0,2,0,0,0,0|2,0,0]=4 1164 B5R0.3 CC(=CN)C=O MCULE-5507488903 [0,2,0,0,0,0|1,0,0]=3 1165 B5R0.3 CC(=NO)CS MCULE-9694340512 [0,2,0,0,0,0|1,1,0]=4 1166 B5R0.3 CC(CN)CO MCULE-5880795484 [0,2,0,0,0,0|1,0,1]=4 1167 B5R0.3 CC(CN)CO MCULE-8083007887 [0,2,0,0,0,0|1,0,1]=4 1168 B5R0.3 CC(CO)NN MCULE-3362748538 [0,2,0,0,0,0|1,0,1]=4 1169 B5R0.3 CC(CO)NN MCULE-4440318216 [0,2,0,0,0,0|1,0,1]=4 1170 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [0,2,0,0,0,0|2,0,0]=4 1171 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [0,2,0,0,0,0|1,0,0]=3 1172 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [0,2,0,0,0,0|1,0,0]=3 1173 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [0,2,0,0,0,0|2,0,0]=4 1174 B5R0.3 CC=C(C)C=O MCULE-9453566957 [0,2,0,0,0,0|2,0,0]=4 1175 B5R0.3 CCC(=N)OC MCULE-4123543795 [0,2,0,0,0,0|1,0,1]=4 1176 B5R0.3 CCC(=N)OC MCULE-5346320805 [0,2,0,0,0,0|1,0,1]=4 1177 B5R0.3 CCC(=NO)C MCULE-1859652505 [0,2,0,0,0,0|2,0,0]=4 1178 B5R0.3 CCC(=O)CBr MCULE-7825573294 [0,2,0,0,0,0|2,0,0]=4 1179 B5R0.3 CCC(=O)CC MCULE-8236549739 [0,2,0,0,0,0|2,0,0]=4 1180 B5R0.3 CCC(=O)CCl MCULE-9019890380 [0,2,0,0,0,0|2,0,0]=4 1181 B5R0.3 CCC(=O)CN MCULE-1863418812 [0,2,0,0,0,0|1,0,0]=3 1182 B5R0.3 CCC(=O)CN MCULE-5831164340 [0,2,0,0,0,0|1,0,0]=3 1183 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,2,0,0,0,0|1,0,0]=3 1184 B5R0.3 CCC(=O)NC MCULE-5612060170 [0,2,0,0,0,0|1,0,0]=3 1185 B5R0.3 CCC(=O)NN MCULE-1803705917 [0,2,0,0,0,0|1,0,0]=3 1186 B5R0.3 CCC(=O)NO MCULE-1033164448 [0,2,0,0,0,0|1,0,0]=3 1187 B5R0.3 CCC(=O)OC MCULE-7384824725 [0,2,0,0,0,0|1,0,0]=3 1188 B5R0.3 CCC(=O)SC MCULE-9712192191 [0,2,0,0,0,0|1,1,0]=4 1189 B5R0.3 CCC(N)CO MCULE-1135809021 [0,2,0,0,0,0|1,0,1]=4 1190 B5R0.3 CCC(N)CO MCULE-7588854111 [0,2,0,0,0,0|1,0,1]=4 1191 B5R0.3 CCC(O)CN MCULE-5197026448 [0,2,0,0,0,0|1,0,1]=4 1192 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [0,2,0,0,0,0|1,0,1]=4 1193 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [0,2,0,0,0,0|1,0,1]=4 1194 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [0,2,0,0,0,0|1,0,1]=4 1195 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [0,2,0,0,0,0|1,0,1]=4 1196 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [0,2,0,0,0,0|1,0,1]=4 1197 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [0,2,0,0,0,0|1,0,1]=4 1198 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [0,2,0,0,0,0|1,0,1]=4 1199 B5R0.3 CNC(=N)CO MCULE-3239749882 [0,2,0,0,0,0|1,0,0]=3 1200 B5R0.3 CNC(=N)NC MCULE-7703075263 [0,2,0,0,0,0|2,0,0]=4 1201 B5R0.3 CNC(=N)NN MCULE-4836793349 [0,2,0,0,0,0|2,0,0]=4 1202 B5R0.3 CNC(=N)NN MCULE-5998297944 [0,2,0,0,0,0|2,0,0]=4 1203 B5R0.3 CNC(=O)CBr MCULE-1439209307 [0,2,0,0,0,0|1,0,0]=3 1204 B5R0.3 CNC(=O)CCl MCULE-1437904095 [0,2,0,0,0,0|1,0,0]=3 1205 B5R0.3 CNC(=O)CI MCULE-1687694185 [0,2,0,0,0,0|1,0,0]=3 1206 B5R0.3 CNC(=O)CN MCULE-1901033297 [0,2,0,0,0,0|1,0,0]=3 1207 B5R0.3 CNC(=O)CN MCULE-8532774234 [0,2,0,0,0,0|1,0,0]=3 1208 B5R0.3 CNC(=O)CO MCULE-5899226107 [0,2,0,0,0,0|0,0,0]=2 1209 B5R0.3 CNC(=O)CS MCULE-7032391129 [0,2,0,0,0,0|0,1,0]=3 1210 B5R0.3 CNC(=O)NC MCULE-5319497155 [0,2,0,0,0,0|1,0,0]=3 1211 B5R0.3 CNC(=O)NN MCULE-2093843774 [0,2,0,0,0,0|1,0,0]=3 1212 B5R0.3 CNC(=O)OC MCULE-1162861376 [0,2,0,0,0,0|0,0,0]=2 1213 B5R0.3 CNC(=S)NC MCULE-7998520647 [0,2,0,0,0,0|1,1,0]=4 1214 B5R0.3 CNC(=S)NN MCULE-3762018607 [0,2,0,0,0,0|1,1,0]=4 1215 B5R0.3 CNC(C)CO MCULE-3841057780 [0,2,0,0,0,0|1,0,1]=4 1216 B5R0.3 CNC(C)CO MCULE-6474892275 [0,2,0,0,0,0|1,0,1]=4 1217 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [0,2,0,0,0,0|1,0,1]=4 1218 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [0,2,0,0,0,0|1,0,1]=4 1219 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [0,2,0,0,0,0|1,0,1]=4 1220 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [0,2,0,0,0,0|1,0,1]=4 1221 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [0,2,0,0,0,0|1,0,1]=4 1222 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [0,2,0,0,0,0|1,0,1]=4 1223 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [0,2,0,0,0,0|1,0,1]=4 1224 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [0,2,0,0,0,0|1,0,1]=4 1225 B5R0.3 COC(=N)CCl MCULE-2713131753 [0,2,0,0,0,0|1,0,1]=4 1226 B5R0.3 COC(=N)CCl MCULE-6471252676 [0,2,0,0,0,0|1,0,1]=4 1227 B5R0.3 COC(=O)C#N MCULE-8762838190 [0,2,0,0,0,0|0,0,1]=3 1228 B5R0.3 COC(=O)C=O MCULE-2685327079 [0,2,0,0,0,0|1,0,0]=3 1229 B5R0.3 COC(=O)CBr MCULE-2684954408 [0,2,0,0,0,0|1,0,0]=3 1230 B5R0.3 COC(=O)CCl MCULE-5886832940 [0,2,0,0,0,0|1,0,0]=3 1231 B5R0.3 COC(=O)CF MCULE-4367430175 [0,2,0,0,0,0|1,0,0]=3 1232 B5R0.3 COC(=O)CI MCULE-9545584156 [0,2,0,0,0,0|1,0,0]=3 1233 B5R0.3 COC(=O)CN MCULE-7462799100 [0,2,0,0,0,0|0,0,0]=2 1234 B5R0.3 COC(=O)CN MCULE-8887061469 [0,2,0,0,0,0|0,0,0]=2 1235 B5R0.3 COC(=O)CO MCULE-8734582763 [0,2,0,0,0,0|1,0,0]=3 1236 B5R0.3 COC(=O)CS MCULE-3020830180 [0,2,0,0,0,0|1,0,0]=3 1237 B5R0.3 COC(=O)NN MCULE-2637794839 [0,2,0,0,0,0|0,0,0]=2 1238 B5R0.3 COC(=O)OC MCULE-7488725621 [0,2,0,0,0,0|1,0,0]=3 1239 B5R0.3 COC(=O)SCl MCULE-1018411491 [0,2,0,0,0,0|1,0,0]=3 1240 B5R0.3 COC(=S)NN MCULE-8717505617 [0,2,0,0,0,0|0,1,0]=3 1241 B5R0.3 COC(=S)SC MCULE-7665194168 [0,2,0,0,0,0|1,1,0]=4 1242 B5R0.3 COC(C)CN MCULE-1378513525 [0,2,0,0,0,0|1,0,1]=4 1243 B5R0.3 COC(C)CN MCULE-6114730248 [0,2,0,0,0,0|1,0,1]=4 1244 B5R0.3 COC(C)CN MCULE-7516064224 [0,2,0,0,0,0|1,0,1]=4 1245 B5R0.3 COC(C)CN MCULE-8277408054 [0,2,0,0,0,0|1,0,1]=4 1246 B5R0.3 CON(C)C=O MCULE-6743121315 [0,2,0,0,0,0|2,0,0]=4 1247 B5R0.3 COS(=O)OC MCULE-9352053920 [0,2,0,0,0,0|2,0,0]=4 1248 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [0,2,0,0,0,0|1,0,1]=4 1249 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [0,2,0,0,0,0|1,0,1]=4 1250 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [0,2,0,0,0,0|1,0,1]=4 1251 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [0,2,0,0,0,0|1,0,1]=4 1252 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [0,2,0,0,0,0|1,0,1]=4 1253 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [0,2,0,0,0,0|1,0,1]=4 1254 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [0,2,0,0,0,0|1,0,1]=4 1255 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [0,2,0,0,0,0|1,0,1]=4 1256 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [0,2,0,0,0,0|1,1,0]=4 1257 B5R0.3 CS/C(=N\N)/N MCULE-2245524081 [0,2,0,0,0,0|1,1,0]=4 1258 B5R0.3 CS/C(=N\N)/N MCULE-6241847719 [0,2,0,0,0,0|1,1,0]=4 1259 B5R0.3 CSC(=NO)C MCULE-1500524467 [0,2,0,0,0,0|1,1,0]=4 1260 B5R0.3 CSC(=O)SC MCULE-7167992573 [0,2,0,0,0,0|1,1,0]=4 1261 B5R0.3 CSC(=S)NN MCULE-2798461411 [0,2,0,0,0,0|0,2,0]=4 1262 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [0,2,0,0,0,0|1,0,1]=4 1263 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [0,2,0,0,0,0|1,0,1]=4 1264 B5R0.3 N#CC(N)CO MCULE-5918855868 [0,2,0,0,0,0|1,0,1]=4 1265 B5R0.3 N#CC(N)CO MCULE-8439000158 [0,2,0,0,0,0|1,0,1]=4 1266 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [0,2,0,0,0,0|1,0,0]=3 1267 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [0,2,0,0,0,0|0,0,1]=3 1268 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [0,2,0,0,0,0|1,0,0]=3 1269 B5R0.3 N=C(NN)NN MCULE-6449982700 [0,2,0,0,0,0|2,0,0]=4 1270 B5R0.3 N=C(NN)NN MCULE-8241596253 [0,2,0,0,0,0|2,0,0]=4 1271 B5R0.3 N=C(NN)NO MCULE-6419110297 [0,2,0,0,0,0|1,0,0]=3 1272 B5R0.3 NC(CO)CF MCULE-3756808200 [0,2,0,0,0,0|1,0,1]=4 1273 B5R0.3 NC(CO)CF MCULE-9468719402 [0,2,0,0,0,0|1,0,1]=4 1274 B5R0.3 NC(CO)CO MCULE-1559988016 [0,2,0,0,0,0|0,0,2]=4 1275 B5R0.3 NC(CO)CO MCULE-4954119952 [0,2,0,0,0,0|0,0,2]=4 1276 B5R0.3 NCC(=O)CN MCULE-2420991481 [0,2,0,0,0,0|1,0,0]=3 1277 B5R0.3 NCC(=O)CN MCULE-8626789745 [0,2,0,0,0,0|1,0,0]=3 1278 B5R0.3 NCC(=O)NN MCULE-2318099199 [0,2,0,0,0,0|1,0,0]=3 1279 B5R0.3 NCC(=O)NN MCULE-3392354502 [0,2,0,0,0,0|1,0,0]=3 1280 B5R0.3 NCC(=O)NO MCULE-5417617455 [0,2,0,0,0,0|0,0,0]=2 1281 B5R0.3 NCC(F)CO MCULE-6156319956 [0,2,0,0,0,0|1,0,1]=4 1282 B5R0.3 NCC(F)CO MCULE-7472307328 [0,2,0,0,0,0|1,0,1]=4 1283 B5R0.3 NCC(O)CCl MCULE-1566349721 [0,2,0,0,0,0|1,0,1]=4 1284 B5R0.3 NCC(O)CCl MCULE-3532626994 [0,2,0,0,0,0|1,0,1]=4 1285 B5R0.3 NCC(O)CCl MCULE-5045913208 [0,2,0,0,0,0|1,0,1]=4 1286 B5R0.3 NCC(O)CCl MCULE-7168455596 [0,2,0,0,0,0|1,0,1]=4 1287 B5R0.3 NCC(O)CF MCULE-7529777116 [0,2,0,0,0,0|1,0,1]=4 1288 B5R0.3 NCC(O)CF MCULE-8092861019 [0,2,0,0,0,0|1,0,1]=4 1289 B5R0.3 NCC(O)CN MCULE-4689186078 [0,2,0,0,0,0|1,0,1]=4 1290 B5R0.3 NCC(O)CO MCULE-2689763818 [0,2,0,0,0,0|0,0,2]=4 1291 B5R0.3 NCC(O)CO MCULE-6096620010 [0,2,0,0,0,0|0,0,2]=4 1292 B5R0.3 NCC(O)CO MCULE-7307777212 [0,2,0,0,0,0|0,0,2]=4 1293 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [0,2,0,0,0,0|1,0,1]=4 1294 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [0,2,0,0,0,0|1,0,1]=4 1295 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [0,2,0,0,0,0|1,0,1]=4 1296 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [0,2,0,0,0,0|1,0,1]=4 1297 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [0,2,0,0,0,0|1,0,1]=4 1298 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [0,2,0,0,0,0|1,0,1]=4 1299 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [0,2,0,0,0,0|1,0,1]=4 1300 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [0,2,0,0,0,0|1,0,1]=4 1301 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [0,2,0,0,0,0|0,0,2]=4 1302 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [0,2,0,0,0,0|0,0,2]=4 1303 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [0,2,0,0,0,0|0,0,2]=4 1304 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [0,2,0,0,0,0|1,0,1]=4 1305 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [0,2,0,0,0,0|1,0,1]=4 1306 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [0,2,0,0,0,0|1,0,1]=4 1307 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [0,2,0,0,0,0|1,0,1]=4 1308 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [0,2,0,0,0,0|1,0,1]=4 1309 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [0,2,0,0,0,0|1,0,1]=4 1310 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [0,2,0,0,0,0|1,0,1]=4 1311 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [0,2,0,0,0,0|1,0,1]=4 1312 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [0,2,0,0,0,0|1,0,1]=4 1313 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [0,2,0,0,0,0|0,0,2]=4 1314 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [0,2,0,0,0,0|0,0,2]=4 1315 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [0,2,0,0,0,0|0,0,2]=4 1316 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [0,2,0,0,0,0|0,0,2]=4 1317 B5R0.3 NNC(=O)CCl MCULE-2158347473 [0,2,0,0,0,0|1,0,0]=3 1318 B5R0.3 NNC(=O)CCl MCULE-9762553206 [0,2,0,0,0,0|1,0,0]=3 1319 B5R0.3 NNC(=O)CO MCULE-8443636349 [0,2,0,0,0,0|0,0,0]=2 1320 B5R0.3 NNC(=O)CS MCULE-4913925166 [0,2,0,0,0,0|0,1,0]=3 1321 B5R0.3 NNC(=O)NN MCULE-8522412568 [0,2,0,0,0,0|1,0,0]=3 1322 B5R0.3 NNC(=O)NO MCULE-7106168898 [0,2,0,0,0,0|0,0,0]=2 1323 B5R0.3 NNC(=S)NN MCULE-1599893212 [0,2,0,0,0,0|1,1,0]=4 1324 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [0,2,0,0,0,0|1,0,1]=4 1325 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [0,2,0,0,0,0|1,0,1]=4 1326 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [0,2,0,0,0,0|1,0,1]=4 1327 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [0,2,0,0,0,0|1,0,1]=4 1328 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [0,2,0,0,0,0|1,0,1]=4 1329 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [0,2,0,0,0,0|1,0,1]=4 1330 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [0,2,0,0,0,0|1,0,1]=4 1331 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [0,2,0,0,0,0|1,0,1]=4 1332 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [0,2,0,0,0,0|2,0,0]=4 1333 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [0,2,0,0,0,0|2,0,0]=4 1334 B5R0.3 O=C(CF)CF MCULE-8790300272 [0,2,0,0,0,0|2,0,0]=4 1335 B5R0.3 O=C(CO)CO MCULE-7188810449 [0,2,0,0,0,0|1,0,0]=3 1336 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [0,2,0,0,0,0|1,0,0]=3 1337 B5R0.3 O=CC(=C[O-])F MCULE-8068241665 [0,2,0,0,0,0|1,0,1]=4 1338 B5R0.3 O=CC(=C[O-])F MCULE-9099292239 [0,2,0,0,0,0|1,0,1]=4 1339 B5R0.3 O=CC(=O)CO MCULE-7273475675 [0,2,0,0,0,0|1,0,0]=3 1340 B5R0.3 O=CC(O)CO MCULE-9581740191 [0,2,0,0,0,0|1,0,1]=4 1341 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [0,2,0,0,0,0|1,0,1]=4 1342 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [0,2,0,0,0,0|1,0,1]=4 1343 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [0,2,0,0,0,0|1,0,1]=4 1344 B5R0.3 P(=O)(OC)OC MCULE-7918891029 [0,2,0,0,0,0|2,0,0]=4 1345 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [0,2,0,0,0,0|1,0,1]=4 1346 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [0,2,0,0,0,0|1,0,1]=4 1347 B5R0.3 [NH2+]=C(NN)NN MCULE-1481511174 [0,2,0,0,0,0|2,0,0]=4 1348 B5R0.4 C=CP(=O)(O)O MCULE-3783505051 [0,2,0,0,0,0|2,0,0]=4 1349 B5R0.4 C=CS(=O)(=O)N MCULE-7350624756 [0,2,0,0,0,0|1,0,1]=4 1350 B5R0.4 C=CS(=O)(=O)O MCULE-2196938026 [0,2,0,0,0,0|2,0,0]=4 1351 B5R0.4 CC(C)(N)CO MCULE-4072416202 [0,2,0,0,0,0|1,0,1]=4 1352 B5R0.4 CC(C)(N)CO MCULE-4209651459 [0,2,0,0,0,0|1,0,1]=4 1353 B5R0.4 CC(C)(N)CO MCULE-6047079177 [0,2,0,0,0,0|1,0,1]=4 1354 B5R0.4 CC(C)(O)C=O MCULE-2581637282 [0,2,0,0,0,0|1,0,1]=4 1355 B5R0.4 CC(C)(O)CN MCULE-5270413077 [0,2,0,0,0,0|1,0,1]=4 1356 B5R0.4 CC(C)(O)CN MCULE-7438555366 [0,2,0,0,0,0|1,0,1]=4 1357 B5R0.4 CCP(=O)(O)O MCULE-5185791919 [0,2,0,0,0,0|2,0,0]=4 1358 B5R0.4 CCS(=O)(=O)N MCULE-4542844597 [0,2,0,0,0,0|1,0,1]=4 1359 B5R0.4 CCS(=O)(=O)O MCULE-4408374633 [0,2,0,0,0,0|2,0,0]=4 1360 B5R0.4 CCS(=O)(=S)O MCULE-3229359913 [0,2,0,0,0,0|2,0,0]=4 1361 B5R0.4 CNS(=O)(=O)C MCULE-1909911079 [0,2,0,0,0,0|1,0,1]=4 1362 B5R0.4 CNS(=O)(=O)Cl MCULE-5463631100 [0,2,0,0,0,0|1,0,1]=4 1363 B5R0.4 CNS(=O)(=O)F MCULE-3217845236 [0,2,0,0,0,0|1,0,1]=4 1364 B5R0.4 CNS(=O)(=O)N MCULE-9326041427 [0,2,0,0,0,0|1,0,1]=4 1365 B5R0.4 CNS(=O)(=O)O MCULE-7257326709 [0,2,0,0,0,0|1,0,0]=3 1366 B5R0.4 COP(=O)(Cl)Cl MCULE-9872981956 [0,2,0,0,0,0|2,0,0]=4 1367 B5R0.4 COP(=O)(O)O MCULE-8832075019 [0,2,0,0,0,0|2,0,0]=4 1368 B5R0.4 COS(=O)(=O)C MCULE-4411511042 [0,2,0,0,0,0|2,0,0]=4 1369 B5R0.4 COS(=O)(=O)Cl MCULE-2396381860 [0,2,0,0,0,0|2,0,0]=4 1370 B5R0.4 COS(=O)(=O)F MCULE-7381316945 [0,2,0,0,0,0|2,0,0]=4 1371 B5R0.4 COS(=O)(=O)O MCULE-7245694496 [0,2,0,0,0,0|2,0,0]=4 1372 B5R0.4 COS(=O)(=O)[O-] MCULE-4933227820 [0,2,0,0,0,0|2,0,0]=4 1373 B5R0.4 COS(=O)(=O)[O-] MCULE-8146317923 [0,2,0,0,0,0|2,0,0]=4 1374 B5R0.4 COS(=O)(=O)[O-] MCULE-9738203627 [0,2,0,0,0,0|2,0,0]=4 1375 B5R0.4 CS(=O)(=O)NN MCULE-9882253848 [0,2,0,0,0,0|1,0,1]=4 1376 B5R0.4 CS(=O)(=O)NO MCULE-6576734604 [0,2,0,0,0,0|1,0,1]=4 1377 B5R0.4 CS(=O)(=O)ON MCULE-7541219823 [0,2,0,0,0,0|1,0,1]=4 1378 B5R0.4 NCP(=O)(O)O MCULE-5036947233 [0,2,0,0,0,0|1,0,0]=3 1379 B5R0.4 NCS(=O)(=O)O MCULE-2178285528 [0,2,0,0,0,0|1,0,0]=3 1380 B5R0.4 NOS(=O)(=O)O MCULE-4655259886 [0,2,0,0,0,0|1,0,0]=3 1381 B5R0.4 NS(=O)(=O)CBr MCULE-2367502977 [0,2,0,0,0,0|1,0,1]=4 1382 B5R0.4 NS(=O)(=O)CCl MCULE-5790884246 [0,2,0,0,0,0|1,0,1]=4 1383 B5R0.4 NS(=O)(=O)CF MCULE-4836991088 [0,2,0,0,0,0|1,0,1]=4 1384 B5R0.4 O=P(O)(O)CCl MCULE-3749129481 [0,2,0,0,0,0|2,0,0]=4 1385 B5R0.4 O=P(O)(O)CO MCULE-9997097349 [0,2,0,0,0,0|2,0,0]=4 1386 B5R0.4 O=S(=O)(O)CBr MCULE-7461723318 [0,2,0,0,0,0|2,0,0]=4 1387 B5R0.4 O=S(=O)(O)CCl MCULE-4274838804 [0,2,0,0,0,0|2,0,0]=4 1388 B5R0.4 O=S(=O)(O)CO MCULE-9647441782 [0,2,0,0,0,0|2,0,0]=4 1389 B5R0.4 O=S(=O)([O-])CO MCULE-5488503909 [0,2,0,0,0,0|2,0,0]=4 1390 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,2,0,0,0,0|1,0,0]=3 1391 B5R0.5 C=C(C)B(O)O MCULE-1381151629 [0,2,0,0,0,0|2,0,0]=4 1392 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,2,0,0,0,0|2,0,0]=4 1393 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,2,0,0,0,0|2,0,0]=4 1394 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,2,0,0,0,0|1,0,0]=3 1395 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,2,0,0,0,0|1,0,0]=3 1396 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,2,0,0,0,0|1,0,1]=4 1397 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,2,0,0,0,0|1,0,1]=4 1398 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,2,0,0,0,0|1,0,1]=4 1399 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,2,0,0,0,0|2,0,0]=4 1400 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,2,0,0,0,0|1,0,0]=3 1401 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [0,2,0,0,0,0|2,0,0]=4 1402 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,2,0,0,0,0|1,0,0]=3 1403 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [0,2,0,0,0,0|1,0,1]=4 1404 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,2,0,0,0,0|1,0,1]=4 1405 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,2,0,0,0,0|1,0,1]=4 1406 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,2,0,0,0,0|0,0,1]=3 1407 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,2,0,0,0,0|1,0,0]=3 1408 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,2,0,0,0,0|1,0,1]=4 1409 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,2,0,0,0,0|1,0,1]=4 1410 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,2,0,0,0,0|1,0,1]=4 1411 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,2,0,0,0,0|0,1,0]=3 1412 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,2,0,0,0,0|2,0,0]=4 1413 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,2,0,0,0,0|2,0,0]=4 1414 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,2,0,0,0,0|2,0,0]=4 1415 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,2,0,0,0,0|2,0,0]=4 1416 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,2,0,0,0,0|1,0,0]=3 1417 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,2,0,0,0,0|1,0,0]=3 1418 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,2,0,0,0,0|1,0,0]=3 1419 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,2,0,0,0,0|1,1,0]=4 1420 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [0,2,0,0,0,0|2,0,0]=4 1421 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [0,2,0,0,0,0|2,0,0]=4 1422 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,2,0,0,0,0|1,0,0]=3 1423 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,2,0,0,0,0|1,0,0]=3 1424 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,2,0,0,0,0|1,0,0]=3 1425 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,2,0,0,0,0|1,0,0]=3 1426 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,2,0,0,0,0|1,0,0]=3 1427 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,2,0,0,0,0|1,0,0]=3 1428 B5R0.5 CC(=S)N(C)C MCULE-6797990305 [0,2,0,0,0,0|1,1,0]=4 1429 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [0,2,0,0,0,0|2,0,0]=4 1430 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [0,2,0,0,0,0|2,0,0]=4 1431 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,2,0,0,0,0|1,0,0]=3 1432 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,2,0,0,0,0|1,0,0]=3 1433 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,2,0,0,0,0|1,0,0]=3 1434 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [0,2,0,0,0,0|2,0,0]=4 1435 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [0,2,0,0,0,0|2,0,0]=4 1436 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [0,2,0,0,0,0|2,0,0]=4 1437 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [0,2,0,0,0,0|2,0,0]=4 1438 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,2,0,0,0,0|1,0,0]=3 1439 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,2,0,0,0,0|1,0,0]=3 1440 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [0,2,0,0,0,0|1,1,0]=4 1441 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [0,2,0,0,0,0|1,1,0]=4 1442 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [0,2,0,0,0,0|2,0,0]=4 1443 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [0,2,0,0,0,0|2,0,0]=4 1444 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [0,2,0,0,0,0|2,0,0]=4 1445 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [0,2,0,0,0,0|2,0,0]=4 1446 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [0,2,0,0,0,0|2,0,0]=4 1447 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,2,0,0,0,0|1,0,0]=3 1448 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,2,0,0,0,0|1,0,0]=3 1449 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,2,0,0,0,0|1,0,0]=3 1450 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,2,0,0,0,0|1,0,0]=3 1451 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,2,0,0,0,0|1,0,0]=3 1452 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,2,0,0,0,0|1,0,0]=3 1453 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,2,0,0,0,0|1,0,0]=3 1454 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,2,0,0,0,0|1,0,0]=3 1455 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,2,0,0,0,0|1,0,0]=3 1456 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,2,0,0,0,0|1,0,0]=3 1457 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,2,0,0,0,0|1,0,0]=3 1458 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,2,0,0,0,0|0,0,0]=2 1459 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,2,0,0,0,0|0,0,0]=2 1460 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,2,0,0,0,0|0,0,0]=2 1461 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,2,0,0,0,0|0,0,0]=2 1462 B5R0.5 CC(N)C(C)O MCULE-3512899672 [0,2,0,0,0,0|1,0,1]=4 1463 B5R0.5 CC(N)C(C)O MCULE-6286987696 [0,2,0,0,0,0|1,0,1]=4 1464 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,2,0,0,0,0|1,0,0]=3 1465 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,2,0,0,0,0|1,0,0]=3 1466 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,2,0,0,0,0|0,0,0]=2 1467 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,2,0,0,0,0|0,0,0]=2 1468 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,2,0,0,0,0|1,0,0]=3 1469 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,2,0,0,0,0|1,0,0]=3 1470 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,2,0,0,0,0|1,0,0]=3 1471 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,2,0,0,0,0|1,0,0]=3 1472 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,2,0,0,0,0|1,0,0]=3 1473 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,2,0,0,0,0|0,1,0]=3 1474 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,2,0,0,0,0|1,0,0]=3 1475 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [0,2,0,0,0,0|2,0,0]=4 1476 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [0,2,0,0,0,0|2,0,0]=4 1477 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [0,2,0,0,0,0|2,0,0]=4 1478 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [0,2,0,0,0,0|2,0,0]=4 1479 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [0,2,0,0,0,0|1,0,0]=3 1480 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,2,0,0,0,0|1,0,0]=3 1481 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,2,0,0,0,0|0,0,0]=2 1482 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [0,2,0,0,0,0|0,0,1]=3 1483 B5R0.5 CN(C)C(=S)Cl MCULE-5232126468 [0,2,0,0,0,0|1,1,0]=4 1484 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [0,2,0,0,0,0|1,1,0]=4 1485 B5R0.5 CN(C)C(=S)S MCULE-4296425055 [0,2,0,0,0,0|0,2,0]=4 1486 B5R0.5 CN(C)C(=S)S MCULE-5159570847 [0,2,0,0,0,0|0,2,0]=4 1487 B5R0.5 CN(C)C(=S)[S-] MCULE-6390941151 [0,2,0,0,0,0|0,2,0]=4 1488 B5R0.5 CN(C)C(=S)[S-] MCULE-7709633048 [0,2,0,0,0,0|0,2,0]=4 1489 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,2,0,0,0,0|1,0,0]=3 1490 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [0,2,0,0,0,0|1,1,0]=4 1491 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,2,0,0,0,0|1,0,0]=3 1492 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,2,0,0,0,0|1,0,0]=3 1493 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [0,2,0,0,0,0|2,0,0]=4 1494 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,2,0,0,0,0|1,0,0]=3 1495 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,2,0,0,0,0|1,0,0]=3 1496 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,2,0,0,0,0|1,0,0]=3 1497 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,2,0,0,0,0|1,0,0]=3 1498 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,2,0,0,0,0|1,0,0]=3 1499 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,2,0,0,0,0|1,0,0]=3 1500 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,2,0,0,0,0|1,0,0]=3 1501 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,2,0,0,0,0|0,0,0]=2 1502 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,2,0,0,0,0|0,0,0]=2 1503 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [0,2,0,0,0,0|1,0,1]=4 1504 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [0,2,0,0,0,0|1,0,1]=4 1505 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [0,2,0,0,0,0|1,0,1]=4 1506 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [0,2,0,0,0,0|1,0,1]=4 1507 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [0,2,0,0,0,0|1,0,1]=4 1508 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,2,0,0,0,0|1,0,0]=3 1509 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,2,0,0,0,0|1,0,0]=3 1510 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,2,0,0,0,0|1,0,0]=3 1511 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,2,0,0,0,0|1,0,0]=3 1512 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,2,0,0,0,0|0,0,0]=2 1513 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,2,0,0,0,0|0,0,0]=2 1514 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,2,0,0,0,0|1,0,0]=3 1515 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,2,0,0,0,0|1,0,0]=3 1516 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,2,0,0,0,0|1,0,0]=3 1517 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,2,0,0,0,0|1,0,0]=3 1518 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,2,0,0,0,0|1,0,0]=3 1519 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [0,2,0,0,0,0|2,0,0]=4 1520 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,2,0,0,0,0|1,0,0]=3 1521 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,2,0,0,0,0|1,0,0]=3 1522 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,2,0,0,0,0|1,0,0]=3 1523 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,2,0,0,0,0|1,0,0]=3 1524 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,2,0,0,0,0|1,0,0]=3 1525 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,2,0,0,0,0|1,0,0]=3 1526 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,2,0,0,0,0|1,0,0]=3 1527 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,2,0,0,0,0|1,0,0]=3 1528 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,2,0,0,0,0|1,0,0]=3 1529 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,2,0,0,0,0|1,0,0]=3 1530 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,2,0,0,0,0|1,0,0]=3 1531 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,2,0,0,0,0|1,0,0]=3 1532 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,2,0,0,0,0|1,0,0]=3 1533 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,2,0,0,0,0|0,0,0]=2 1534 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,2,0,0,0,0|0,0,0]=2 1535 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,2,0,0,0,0|0,0,0]=2 1536 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,2,0,0,0,0|0,0,0]=2 1537 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [0,2,0,0,0,0|1,0,1]=4 1538 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [0,2,0,0,0,0|1,0,1]=4 1539 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [0,2,0,0,0,0|1,0,1]=4 1540 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [0,2,0,0,0,0|1,0,1]=4 1541 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [0,2,0,0,0,0|1,0,1]=4 1542 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [0,2,0,0,0,0|1,0,1]=4 1543 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,2,0,0,0,0|0,0,0]=2 1544 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,2,0,0,0,0|1,0,0]=3 1545 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,2,0,0,0,0|1,0,0]=3 1546 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,2,0,0,0,0|1,0,0]=3 1547 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,2,0,0,0,0|1,0,0]=3 1548 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,2,0,0,0,0|1,0,0]=3 1549 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,2,0,0,0,0|1,0,0]=3 1550 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,2,0,0,0,0|1,0,0]=3 1551 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [0,2,0,0,0,0|1,0,1]=4 1552 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [0,2,0,0,0,0|1,0,1]=4 1553 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [0,2,0,0,0,0|1,0,1]=4 1554 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [0,2,0,0,0,0|1,0,1]=4 1555 B5R0.5 N=C(N)N(N)N MCULE-6225047839 [0,2,0,0,0,0|2,0,0]=4 1556 B5R0.5 N=C(N)N(N)N MCULE-8407507713 [0,2,0,0,0,0|2,0,0]=4 1557 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [0,2,0,0,0,0|1,0,0]=3 1558 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,2,0,0,0,0|0,0,1]=3 1559 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,2,0,0,0,0|0,0,0]=2 1560 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,2,0,0,0,0|0,0,1]=3 1561 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,2,0,0,0,0|0,0,1]=3 1562 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [0,2,0,0,0,0|1,0,0]=3 1563 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [0,2,0,0,0,0|1,0,0]=3 1564 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [0,2,0,0,0,0|1,0,0]=3 1565 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [0,2,0,0,0,0|1,0,0]=3 1566 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [0,2,0,0,0,0|1,0,0]=3 1567 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [0,2,0,0,0,0|1,0,0]=3 1568 B5R0.5 NC(=S)C(=S)N MCULE-3109255800 [0,2,0,0,0,0|0,2,0]=4 1569 B5R0.5 NC(=S)C(F)F MCULE-3511485569 [0,2,0,0,0,0|1,1,0]=4 1570 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,2,0,0,0,0|0,0,0]=2 1571 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,2,0,0,0,0|1,0,1]=4 1572 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,2,0,0,0,0|1,0,1]=4 1573 B5R0.5 O=C(Cl)C(Cl)Cl MCULE-2883143305 [0,2,0,0,0,0|2,0,0]=4 1574 B5R0.5 O=C(Cl)C(F)Cl MCULE-1579940277 [0,2,0,0,0,0|2,0,0]=4 1575 B5R0.5 O=C(Cl)C(F)F MCULE-6700400389 [0,2,0,0,0,0|2,0,0]=4 1576 B5R0.5 O=C(F)C(F)F MCULE-6722746663 [0,2,0,0,0,0|2,0,0]=4 1577 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,2,0,0,0,0|1,0,0]=3 1578 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,2,0,0,0,0|1,0,0]=3 1579 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,2,0,0,0,0|1,0,0]=3 1580 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,2,0,0,0,0|1,0,0]=3 1581 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,2,0,0,0,0|1,0,0]=3 1582 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,2,0,0,0,0|1,0,0]=3 1583 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,2,0,0,0,0|1,0,0]=3 1584 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,2,0,0,0,0|1,0,0]=3 1585 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,2,0,0,0,0|1,0,0]=3 1586 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,2,0,0,0,0|1,0,0]=3 1587 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,2,0,0,0,0|1,0,0]=3 1588 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,2,0,0,0,0|1,0,0]=3 1589 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,2,0,0,0,0|1,0,0]=3 1590 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,2,0,0,0,0|1,0,0]=3 1591 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,2,0,0,0,0|1,0,0]=3 1592 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,2,0,0,0,0|1,0,0]=3 1593 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,2,0,0,0,0|1,0,0]=3 1594 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,2,0,0,0,0|1,0,0]=3 1595 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,2,0,0,0,0|1,0,0]=3 1596 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,2,0,0,0,0|1,0,0]=3 1597 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,2,0,0,0,0|1,0,0]=3 1598 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,2,0,0,0,0|1,0,1]=4 1599 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,2,0,0,0,0|1,0,1]=4 1600 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,2,0,0,0,0|1,0,1]=4 1601 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,2,0,0,0,0|1,0,1]=4 1602 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,2,0,0,0,0|1,0,1]=4 1603 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,2,0,0,0,0|1,0,1]=4 1604 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,2,0,0,0,0|1,0,1]=4 1605 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,2,0,0,0,0|1,0,1]=4 1606 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [0,2,0,0,0,0|1,0,1]=4 1607 B5R0.5 O=C([O-])C(F)Cl MCULE-6121365584 [0,2,0,0,0,0|1,0,1]=4 1608 B5R0.5 O=C([O-])C(F)I MCULE-5263796115 [0,2,0,0,0,0|1,0,1]=4 1609 B5R0.5 O=S(O)C(F)F MCULE-6110273161 [0,2,0,0,0,0|2,0,0]=4 1610 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,2,0,0,0,0|0,0,0]=2 1611 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1016641329 [0,2,0,0,0,0|2,0,0]=4 1612 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1067760866 [0,2,0,0,0,0|2,0,0]=4 1613 B3R1.1 C1CN1 MCULE-4736867570 [1,0,0,1,0,0|1,0,1]=4 1614 B5R1.2 C=C1CNC1 MCULE-1391021267 [0,1,0,1,0,0|2,0,0]=4 1615 B5R1.2 C=C1CNC1 MCULE-7957953185 [0,1,0,1,0,0|2,0,0]=4 1616 B5R1.2 C=C1COC1 MCULE-1822645869 [0,1,0,1,0,0|2,0,0]=4 1617 B5R1.2 NC1COC1 MCULE-3457998413 [0,1,0,1,0,0|1,0,1]=4 1618 B5R1.2 NC1COC1 MCULE-8439862131 [0,1,0,1,0,0|1,0,1]=4 1619 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,1,0,1,0,0|2,0,0]=4 1620 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,1,0,1,0,0|1,0,0]=3 1621 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,1,0,1,0,0|1,0,0]=3 1622 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,1,0,1,0,0|1,0,0]=3 1623 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,1,0,1,0,0|1,0,0]=3 1624 B5R1.2 O=C1COC1 MCULE-6847248632 [0,1,0,1,0,0|1,0,0]=3 1625 B5R1.2 O=C1CSC1 MCULE-4436071261 [0,1,0,1,0,0|1,1,0]=4 1626 B5R1.2 OC1CNC1 MCULE-3596383447 [0,1,0,1,0,0|1,0,1]=4 1627 B5R1.2 OC1CNC1 MCULE-7913518128 [0,1,0,1,0,0|1,0,1]=4 1628 B5R1.4 NC1CC1O MCULE-2677451452 [0,1,0,1,0,0|1,0,1]=4 1629 B5R1.4 NC1CC1O MCULE-2909581707 [0,1,0,1,0,0|1,0,1]=4 1630 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [0,1,0,1,0,0|1,0,1]=4 1631 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [0,1,0,1,0,0|1,0,1]=4 1632 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [0,1,0,1,0,0|1,0,1]=4 1633 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [0,1,0,1,0,0|1,0,1]=4 1634 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [0,1,0,1,0,0|1,0,1]=4 1635 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [0,1,0,1,0,0|1,0,1]=4 1636 B5R1.5 NC1(CC1)O MCULE-6134507215 [0,1,0,1,0,0|1,0,1]=4 1637 B5R1.5 NC1(CC1)O MCULE-9233065159 [0,1,0,1,0,0|1,0,1]=4