0 B4R0.1 BrC=C(Br)Br MCULE-9536958233 [0,0,0,0,0,0|4,0,0]=4 1 B4R0.1 C#CB(O)O MCULE-2503425015 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.1 C#CC(=C)C MCULE-6826835331 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 C#CC(=O)C MCULE-1296030711 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C#CC(=O)N MCULE-1832868146 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C#CC(=O)O MCULE-8764256624 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 C#CC(=O)[O-] MCULE-3356498679 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C#CC(=O)[O-] MCULE-3490087346 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 C#CC(C)Br MCULE-6701225038 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 C#CC(C)C MCULE-4600802925 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 C#CC(C)Cl MCULE-2069451312 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C#CC(C)N MCULE-5174459541 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C#CC(C)N MCULE-7552261137 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 C#CC(C)N MCULE-8458008104 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 C#CC(C)N MCULE-8872781976 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 C#CC(C)O MCULE-6692690957 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 C#CC(C)O MCULE-8115962170 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 C#C[C@@H](C)O MCULE-3014030718 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 C#C[C@@H](C)O MCULE-5925379513 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 C#C[C@H](C)O MCULE-3264536845 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 C(C)(N)CN MCULE-5877041140 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 C(C)(N)CO MCULE-5844242932 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [0,0,0,0,0,0|3,0,0]=3 33 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [0,0,0,0,0,0|3,0,0]=3 34 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [0,0,0,0,0,0|3,0,0]=3 35 B4R0.1 C=C(Br)C#N MCULE-6077746884 [0,0,0,0,0,0|2,0,2]=4 36 B4R0.1 C=C(Br)C=O MCULE-9500973388 [0,0,0,0,0,0|3,0,1]=4 37 B4R0.1 C=C(Br)CBr MCULE-1222617820 [0,0,0,0,0,0|3,0,1]=4 38 B4R0.1 C=C(Br)CC MCULE-6271946451 [0,0,0,0,0,0|3,0,1]=4 39 B4R0.1 C=C(Br)CN MCULE-1170417597 [0,0,0,0,0,0|2,0,1]=3 40 B4R0.1 C=C(Br)CN MCULE-9190049156 [0,0,0,0,0,0|2,0,1]=3 41 B4R0.1 C=C(Br)CO MCULE-7763893047 [0,0,0,0,0,0|3,0,1]=4 42 B4R0.1 C=C(C)C#N MCULE-9177849910 [0,0,0,0,0,0|2,0,1]=3 43 B4R0.1 C=C(C)C=O MCULE-3758355501 [0,0,0,0,0,0|3,0,0]=3 44 B4R0.1 C=C(C)CBr MCULE-1361893863 [0,0,0,0,0,0|3,0,0]=3 45 B4R0.1 C=C(C)CCl MCULE-5586406339 [0,0,0,0,0,0|3,0,0]=3 46 B4R0.1 C=C(C)CI MCULE-3678124406 [0,0,0,0,0,0|3,0,0]=3 47 B4R0.1 C=C(C)CN MCULE-1033495975 [0,0,0,0,0,0|2,0,0]=2 48 B4R0.1 C=C(C)CN MCULE-8730181300 [0,0,0,0,0,0|2,0,0]=2 49 B4R0.1 C=C(C)CO MCULE-8641288398 [0,0,0,0,0,0|3,0,0]=3 50 B4R0.1 C=C(C)CS MCULE-5174170431 [0,0,0,0,0,0|3,0,0]=3 51 B4R0.1 C=C(C)OC MCULE-7344104255 [0,0,0,0,0,0|3,0,0]=3 52 B4R0.1 C=C(Cl)C#N MCULE-8612604639 [0,0,0,0,0,0|2,0,2]=4 53 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [0,0,0,0,0,0|3,0,1]=4 54 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [0,0,0,0,0,0|3,0,1]=4 55 B4R0.1 C=C(Cl)CI MCULE-1908004565 [0,0,0,0,0,0|3,0,1]=4 56 B4R0.1 C=C(Cl)CN MCULE-2159410121 [0,0,0,0,0,0|2,0,1]=3 57 B4R0.1 C=C(Cl)CN MCULE-3454023553 [0,0,0,0,0,0|2,0,1]=3 58 B4R0.1 C=C(Cl)CO MCULE-8813337564 [0,0,0,0,0,0|3,0,1]=4 59 B4R0.1 C=C(F)CBr MCULE-6528430141 [0,0,0,0,0,0|3,0,1]=4 60 B4R0.1 C=C(F)CCl MCULE-4499400030 [0,0,0,0,0,0|3,0,1]=4 61 B4R0.1 C=C(F)CN MCULE-1603171858 [0,0,0,0,0,0|2,0,1]=3 62 B4R0.1 C=C(F)CN MCULE-3878727292 [0,0,0,0,0,0|2,0,1]=3 63 B4R0.1 C=C(F)CO MCULE-2779963696 [0,0,0,0,0,0|3,0,1]=4 64 B4R0.1 C=C(I)CO MCULE-2533897125 [0,0,0,0,0,0|3,0,1]=4 65 B4R0.1 C=C=C(C)C MCULE-8705186354 [0,0,0,0,0,0|3,0,0]=3 66 B4R0.1 C=CB(O)O MCULE-2531600001 [0,0,0,0,0,0|4,0,0]=4 67 B4R0.1 C=CC(=C)C MCULE-1668999564 [0,0,0,0,0,0|3,0,0]=3 68 B4R0.1 C=CC(=O)C MCULE-4924646293 [0,0,0,0,0,0|2,0,1]=3 69 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [0,0,0,0,0,0|3,0,1]=4 70 B4R0.1 C=CC(=O)N MCULE-4309430654 [0,0,0,0,0,0|3,0,1]=4 71 B4R0.1 C=CC(=O)O MCULE-9352227082 [0,0,0,0,0,0|3,0,0]=3 72 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [0,0,0,0,0,0|3,0,1]=4 73 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [0,0,0,0,0,0|3,0,1]=4 74 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [0,0,0,0,0,0|3,0,1]=4 75 B4R0.1 C=CC(C)Cl MCULE-1756172983 [0,0,0,0,0,0|3,0,1]=4 76 B4R0.1 C=CC(C)N MCULE-5748048106 [0,0,0,0,0,0|3,0,1]=4 77 B4R0.1 C=CC(C)N MCULE-6786590923 [0,0,0,0,0,0|3,0,1]=4 78 B4R0.1 C=CC(C)O MCULE-4525368256 [0,0,0,0,0,0|2,0,1]=3 79 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [0,0,0,0,0,0|3,0,1]=4 80 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [0,0,0,0,0,0|3,0,1]=4 81 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [0,0,0,0,0,0|3,0,1]=4 82 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [0,0,0,0,0,0|3,0,1]=4 83 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [0,0,0,0,0,0|3,0,1]=4 84 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [0,0,0,0,0,0|3,0,1]=4 85 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [0,0,0,0,0,0|3,0,1]=4 86 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [0,0,0,0,0,0|3,0,1]=4 87 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [0,0,0,0,0,0|2,0,1]=3 88 B4R0.1 C=NN(C)C MCULE-4915917395 [0,0,0,0,0,0|3,0,0]=3 89 B4R0.1 CC(=CBr)C MCULE-9508381610 [0,0,0,0,0,0|3,0,0]=3 90 B4R0.1 CC(=CCl)C MCULE-4321554138 [0,0,0,0,0,0|3,0,0]=3 91 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [0,0,0,0,0,0|3,0,0]=3 92 B4R0.1 CC(=N)NN MCULE-2302306720 [0,0,0,0,0,0|1,0,1]=2 93 B4R0.1 CC(=N)NN MCULE-5362481009 [0,0,0,0,0,0|1,0,1]=2 94 B4R0.1 CC(=NN)C MCULE-8828852790 [0,0,0,0,0,0|1,0,0]=1 95 B4R0.1 CC(=NO)C MCULE-3243100216 [0,0,0,0,0,0|2,0,0]=2 96 B4R0.1 CC(=O)C#N MCULE-6317771757 [0,0,0,0,0,0|1,0,2]=3 97 B4R0.1 CC(=O)C=O MCULE-2718961814 [0,0,0,0,0,0|2,0,1]=3 98 B4R0.1 CC(=O)CBr MCULE-7812920675 [0,0,0,0,0,0|2,0,1]=3 99 B4R0.1 CC(=O)CCl MCULE-2501365933 [0,0,0,0,0,0|2,0,1]=3 100 B4R0.1 CC(=O)CF MCULE-7417279999 [0,0,0,0,0,0|2,0,1]=3 101 B4R0.1 CC(=O)CN MCULE-2715277783 [0,0,0,0,0,0|1,0,1]=2 102 B4R0.1 CC(=O)CN MCULE-6004541862 [0,0,0,0,0,0|1,0,1]=2 103 B4R0.1 CC(=O)CO MCULE-2989526028 [0,0,0,0,0,0|2,0,1]=3 104 B4R0.1 CC(=O)CS MCULE-9736174016 [0,0,0,0,0,0|2,0,1]=3 105 B4R0.1 CC(=O)NBr MCULE-6502070876 [0,0,0,0,0,0|1,0,2]=3 106 B4R0.1 CC(=O)NN MCULE-9183467120 [0,0,0,0,0,0|0,0,2]=2 107 B4R0.1 CC(=O)NO MCULE-2682231025 [0,0,0,0,0,0|1,0,2]=3 108 B4R0.1 CC(=O)OO MCULE-6028338742 [0,0,0,0,0,0|2,0,1]=3 109 B4R0.1 CC(Br)C#N MCULE-2994851090 [0,0,0,0,0,0|2,0,2]=4 110 B4R0.1 CC(Br)C=O MCULE-6060704330 [0,0,0,0,0,0|3,0,1]=4 111 B4R0.1 CC(Br)CBr MCULE-6304574748 [0,0,0,0,0,0|3,0,1]=4 112 B4R0.1 CC(Br)CCl MCULE-8021380791 [0,0,0,0,0,0|3,0,1]=4 113 B4R0.1 CC(Br)CN MCULE-5214613046 [0,0,0,0,0,0|2,0,1]=3 114 B4R0.1 CC(Br)CN MCULE-6326218362 [0,0,0,0,0,0|2,0,1]=3 115 B4R0.1 CC(Br)CO MCULE-8344365003 [0,0,0,0,0,0|3,0,1]=4 116 B4R0.1 CC(C)C#N MCULE-8390118776 [0,0,0,0,0,0|2,0,2]=4 117 B4R0.1 CC(C)C=O MCULE-3575731904 [0,0,0,0,0,0|3,0,1]=4 118 B4R0.1 CC(C)CBr MCULE-6039420480 [0,0,0,0,0,0|3,0,1]=4 119 B4R0.1 CC(C)CCl MCULE-6524976746 [0,0,0,0,0,0|3,0,1]=4 120 B4R0.1 CC(C)CI MCULE-5280589461 [0,0,0,0,0,0|3,0,1]=4 121 B4R0.1 CC(C)CN MCULE-2158650588 [0,0,0,0,0,0|2,0,1]=3 122 B4R0.1 CC(C)CN MCULE-6751437658 [0,0,0,0,0,0|2,0,1]=3 123 B4R0.1 CC(C)CN MCULE-8319193456 [0,0,0,0,0,0|2,0,1]=3 124 B4R0.1 CC(C)CN MCULE-8705657065 [0,0,0,0,0,0|2,0,1]=3 125 B4R0.1 CC(C)CO MCULE-6294327194 [0,0,0,0,0,0|3,0,1]=4 126 B4R0.1 CC(C)CP MCULE-3724358658 [0,0,0,0,0,0|2,1,1]=4 127 B4R0.1 CC(C)CS MCULE-7978911055 [0,0,0,0,0,0|3,0,1]=4 128 B4R0.1 CC(C)NN MCULE-4673953224 [0,0,0,0,0,0|1,0,2]=3 129 B4R0.1 CC(C)NN MCULE-7901160798 [0,0,0,0,0,0|1,0,2]=3 130 B4R0.1 CC(C)NN MCULE-9473118288 [0,0,0,0,0,0|1,0,2]=3 131 B4R0.1 CC(C)NO MCULE-6516566403 [0,0,0,0,0,0|2,0,2]=4 132 B4R0.1 CC(C)NO MCULE-8545146035 [0,0,0,0,0,0|2,0,2]=4 133 B4R0.1 CC(C)ON MCULE-4063407094 [0,0,0,0,0,0|2,0,1]=3 134 B4R0.1 CC(C)ON MCULE-9108231771 [0,0,0,0,0,0|2,0,1]=3 135 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [0,0,0,0,0,0|2,0,2]=4 136 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [0,0,0,0,0,0|2,0,2]=4 137 B4R0.1 CC(Cl)C#N MCULE-9841634909 [0,0,0,0,0,0|2,0,2]=4 138 B4R0.1 CC(Cl)CBr MCULE-8474943880 [0,0,0,0,0,0|3,0,1]=4 139 B4R0.1 CC(Cl)CCl MCULE-1548912109 [0,0,0,0,0,0|3,0,1]=4 140 B4R0.1 CC(Cl)CN MCULE-2637316379 [0,0,0,0,0,0|2,0,1]=3 141 B4R0.1 CC(Cl)CN MCULE-5591419030 [0,0,0,0,0,0|2,0,1]=3 142 B4R0.1 CC(Cl)CO MCULE-3857255988 [0,0,0,0,0,0|3,0,1]=4 143 B4R0.1 CC(Cl)CO MCULE-7538548427 [0,0,0,0,0,0|3,0,1]=4 144 B4R0.1 CC(F)CN MCULE-6584490651 [0,0,0,0,0,0|2,0,1]=3 145 B4R0.1 CC(F)CN MCULE-9499916116 [0,0,0,0,0,0|2,0,1]=3 146 B4R0.1 CC(F)CO MCULE-6006763378 [0,0,0,0,0,0|3,0,1]=4 147 B4R0.1 CC(N)C#N MCULE-4008524363 [0,0,0,0,0,0|2,0,2]=4 148 B4R0.1 CC(N)C#N MCULE-8654767875 [0,0,0,0,0,0|2,0,2]=4 149 B4R0.1 CC(N)C=O MCULE-3421118418 [0,0,0,0,0,0|3,0,1]=4 150 B4R0.1 CC(N)CBr MCULE-1783493149 [0,0,0,0,0,0|3,0,1]=4 151 B4R0.1 CC(N)CBr MCULE-2775398297 [0,0,0,0,0,0|3,0,1]=4 152 B4R0.1 CC(N)CCl MCULE-8652434595 [0,0,0,0,0,0|3,0,1]=4 153 B4R0.1 CC(N)CCl MCULE-9580466630 [0,0,0,0,0,0|3,0,1]=4 154 B4R0.1 CC(N)CF MCULE-1603143200 [0,0,0,0,0,0|3,0,1]=4 155 B4R0.1 CC(N)CF MCULE-3787216870 [0,0,0,0,0,0|3,0,1]=4 156 B4R0.1 CC(N)CF MCULE-4138869746 [0,0,0,0,0,0|3,0,1]=4 157 B4R0.1 CC(N)CF MCULE-8611760275 [0,0,0,0,0,0|3,0,1]=4 158 B4R0.1 CC(N)CN MCULE-2119036110 [0,0,0,0,0,0|2,0,1]=3 159 B4R0.1 CC(N)CN MCULE-6286216576 [0,0,0,0,0,0|2,0,1]=3 160 B4R0.1 CC(N)CN MCULE-9919433465 [0,0,0,0,0,0|2,0,1]=3 161 B4R0.1 CC(N)CO MCULE-1361379423 [0,0,0,0,0,0|3,0,1]=4 162 B4R0.1 CC(N)CO MCULE-2098440985 [0,0,0,0,0,0|3,0,1]=4 163 B4R0.1 CC(N)CS MCULE-1396853557 [0,0,0,0,0,0|3,0,1]=4 164 B4R0.1 CC(N)CS MCULE-4094732666 [0,0,0,0,0,0|3,0,1]=4 165 B4R0.1 CC(O)C#N MCULE-3166802314 [0,0,0,0,0,0|1,0,2]=3 166 B4R0.1 CC(O)CBr MCULE-7835094737 [0,0,0,0,0,0|2,0,1]=3 167 B4R0.1 CC(O)CCl MCULE-9140807958 [0,0,0,0,0,0|2,0,1]=3 168 B4R0.1 CC(O)CF MCULE-1023052065 [0,0,0,0,0,0|2,0,1]=3 169 B4R0.1 CC(O)CN MCULE-4370440652 [0,0,0,0,0,0|1,0,1]=2 170 B4R0.1 CC(O)CN MCULE-5694317743 [0,0,0,0,0,0|1,0,1]=2 171 B4R0.1 CC(O)CN MCULE-6406041538 [0,0,0,0,0,0|1,0,1]=2 172 B4R0.1 CC(O)CN MCULE-6636652305 [0,0,0,0,0,0|1,0,1]=2 173 B4R0.1 CC(O)CO MCULE-5574440784 [0,0,0,0,0,0|2,0,1]=3 174 B4R0.1 CC(O)CO MCULE-8743139013 [0,0,0,0,0,0|2,0,1]=3 175 B4R0.1 CC(O)CS MCULE-7881083356 [0,0,0,0,0,0|2,0,1]=3 176 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [0,0,0,0,0,0|1,0,2]=3 177 B4R0.1 CC(S)CN MCULE-1957568322 [0,0,0,0,0,0|1,1,1]=3 178 B4R0.1 CC(S)CN MCULE-7469442412 [0,0,0,0,0,0|1,1,1]=3 179 B4R0.1 CC(S)CO MCULE-5090908062 [0,0,0,0,0,0|2,1,1]=4 180 B4R0.1 CC(S)CS MCULE-9264694858 [0,0,0,0,0,0|2,1,1]=4 181 B4R0.1 CC=C(C)Br MCULE-1371905211 [0,0,0,0,0,0|3,0,0]=3 182 B4R0.1 CC=C(C)C MCULE-4230157245 [0,0,0,0,0,0|3,0,0]=3 183 B4R0.1 CC=C(C)Cl MCULE-3844314543 [0,0,0,0,0,0|3,0,0]=3 184 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [0,0,0,0,0,0|4,0,0]=4 185 B4R0.1 CC=C(F)F MCULE-5544510852 [0,0,0,0,0,0|4,0,0]=4 186 B4R0.1 CCB(O)O MCULE-1650960999 [0,0,0,0,0,0|4,0,0]=4 187 B4R0.1 CCC(=N)N MCULE-1856575742 [0,0,0,0,0,0|4,0,0]=4 188 B4R0.1 CCC(=N)N MCULE-2534386807 [0,0,0,0,0,0|4,0,0]=4 189 B4R0.1 CCC(=O)Br MCULE-7870678619 [0,0,0,0,0,0|3,0,1]=4 190 B4R0.1 CCC(=O)C MCULE-8276670748 [0,0,0,0,0,0|2,0,1]=3 191 B4R0.1 CCC(=O)Cl MCULE-3081874391 [0,0,0,0,0,0|3,0,1]=4 192 B4R0.1 CCC(=O)F MCULE-8783887670 [0,0,0,0,0,0|3,0,1]=4 193 B4R0.1 CCC(=O)N MCULE-3730796130 [0,0,0,0,0,0|3,0,1]=4 194 B4R0.1 CCC(=O)O MCULE-2199051150 [0,0,0,0,0,0|3,0,0]=3 195 B4R0.1 CCC(=O)O MCULE-9800054040 [0,0,0,0,0,0|3,0,0]=3 196 B4R0.1 CCC(=O)S MCULE-3392119766 [0,0,0,0,0,0|3,0,1]=4 197 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [0,0,0,0,0,0|3,0,1]=4 198 B4R0.1 CCC(=S)N MCULE-3921479699 [0,0,0,0,0,0|3,1,0]=4 199 B4R0.1 CCC(C)Br MCULE-9661620259 [0,0,0,0,0,0|3,0,1]=4 200 B4R0.1 CCC(C)C MCULE-5376105936 [0,0,0,0,0,0|3,0,1]=4 201 B4R0.1 CCC(C)Cl MCULE-2954418486 [0,0,0,0,0,0|3,0,1]=4 202 B4R0.1 CCC(C)I MCULE-5239699587 [0,0,0,0,0,0|3,0,1]=4 203 B4R0.1 CCC(C)N MCULE-5041676035 [0,0,0,0,0,0|3,0,1]=4 204 B4R0.1 CCC(C)N MCULE-5835091553 [0,0,0,0,0,0|3,0,1]=4 205 B4R0.1 CCC(C)N MCULE-6631606230 [0,0,0,0,0,0|3,0,1]=4 206 B4R0.1 CCC(C)N MCULE-8165681721 [0,0,0,0,0,0|3,0,1]=4 207 B4R0.1 CCC(C)O MCULE-4099350806 [0,0,0,0,0,0|2,0,1]=3 208 B4R0.1 CCC(C)O MCULE-5005120003 [0,0,0,0,0,0|2,0,1]=3 209 B4R0.1 CCC(C)S MCULE-4988033753 [0,0,0,0,0,0|2,1,1]=4 210 B4R0.1 CCN(C)C MCULE-5825033552 [0,0,0,0,0,0|4,0,0]=4 211 B4R0.1 CCN(C)N MCULE-2279492356 [0,0,0,0,0,0|4,0,0]=4 212 B4R0.1 CCN(C)N MCULE-5660338703 [0,0,0,0,0,0|4,0,0]=4 213 B4R0.1 CCN(C)N MCULE-9839987578 [0,0,0,0,0,0|4,0,0]=4 214 B4R0.1 CCS(=O)C MCULE-4400935745 [0,0,0,0,0,0|3,0,1]=4 215 B4R0.1 CCS(=O)O MCULE-9872932319 [0,0,0,0,0,0|4,0,0]=4 216 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [0,0,0,0,0,0|3,0,1]=4 217 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [0,0,0,0,0,0|3,0,1]=4 218 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [0,0,0,0,0,0|3,0,1]=4 219 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [0,0,0,0,0,0|3,0,1]=4 220 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [0,0,0,0,0,0|2,0,1]=3 221 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [0,0,0,0,0,0|2,0,1]=3 222 B4R0.1 CC[C@H](C)N MCULE-2450201533 [0,0,0,0,0,0|3,0,1]=4 223 B4R0.1 CC[C@H](C)N MCULE-2998961427 [0,0,0,0,0,0|3,0,1]=4 224 B4R0.1 CC[C@H](C)N MCULE-6692190471 [0,0,0,0,0,0|3,0,1]=4 225 B4R0.1 CC[C@H](C)N MCULE-6904795465 [0,0,0,0,0,0|3,0,1]=4 226 B4R0.1 CC[C@H](C)O MCULE-3700911573 [0,0,0,0,0,0|2,0,1]=3 227 B4R0.1 CC[C@H](C)O MCULE-6063716138 [0,0,0,0,0,0|2,0,1]=3 228 B4R0.1 CN(C)C#N MCULE-2744421860 [0,0,0,0,0,0|3,0,1]=4 229 B4R0.1 CN(C)C=O MCULE-6290117712 [0,0,0,0,0,0|4,0,0]=4 230 B4R0.1 CN(C)C=S MCULE-3571847382 [0,0,0,0,0,0|4,0,0]=4 231 B4R0.1 CN(C)CCl MCULE-4906480184 [0,0,0,0,0,0|4,0,0]=4 232 B4R0.1 CN(C)CCl MCULE-5465672480 [0,0,0,0,0,0|4,0,0]=4 233 B4R0.1 CN(C)N=O MCULE-1157726226 [0,0,0,0,0,0|3,0,0]=3 234 B4R0.1 CN(N)C=O MCULE-6353057165 [0,0,0,0,0,0|4,0,0]=4 235 B4R0.1 CNC(=N)N MCULE-1074994749 [0,0,0,0,0,0|3,0,1]=4 236 B4R0.1 CNC(=N)N MCULE-6149731862 [0,0,0,0,0,0|3,0,1]=4 237 B4R0.1 CNC(=N)N MCULE-7667364021 [0,0,0,0,0,0|3,0,1]=4 238 B4R0.1 CNC(=N)N MCULE-7854448694 [0,0,0,0,0,0|3,0,1]=4 239 B4R0.1 CNC(=O)C MCULE-2612997941 [0,0,0,0,0,0|1,0,2]=3 240 B4R0.1 CNC(=O)Cl MCULE-7743744606 [0,0,0,0,0,0|2,0,2]=4 241 B4R0.1 CNC(=O)N MCULE-6422331704 [0,0,0,0,0,0|2,0,2]=4 242 B4R0.1 CNC(=S)C MCULE-8699171591 [0,0,0,0,0,0|1,1,1]=3 243 B4R0.1 CNC(=S)N MCULE-7103250725 [0,0,0,0,0,0|2,1,1]=4 244 B4R0.1 CNC(=S)[S-] MCULE-4072880135 [0,0,0,0,0,0|2,1,1]=4 245 B4R0.1 CNC(=S)[S-] MCULE-4924829934 [0,0,0,0,0,0|2,1,1]=4 246 B4R0.1 CNC(C)C MCULE-3849513543 [0,0,0,0,0,0|2,0,2]=4 247 B4R0.1 CNN(C)C MCULE-7120869955 [0,0,0,0,0,0|3,0,1]=4 248 B4R0.1 CNN(C)C MCULE-8318926099 [0,0,0,0,0,0|3,0,1]=4 249 B4R0.1 COC(=N)C MCULE-2752794913 [0,0,0,0,0,0|3,0,0]=3 250 B4R0.1 COC(=N)C MCULE-2904991083 [0,0,0,0,0,0|3,0,0]=3 251 B4R0.1 COC(=N)N MCULE-1611076737 [0,0,0,0,0,0|4,0,0]=4 252 B4R0.1 COC(=N)N MCULE-4923904579 [0,0,0,0,0,0|4,0,0]=4 253 B4R0.1 COC(=N)N MCULE-6696789855 [0,0,0,0,0,0|4,0,0]=4 254 B4R0.1 COC(=N)N MCULE-9171600210 [0,0,0,0,0,0|4,0,0]=4 255 B4R0.1 COC(=O)C MCULE-7368066093 [0,0,0,0,0,0|2,0,1]=3 256 B4R0.1 COC(=O)Cl MCULE-8022274771 [0,0,0,0,0,0|3,0,1]=4 257 B4R0.1 COC(=O)N MCULE-4070607369 [0,0,0,0,0,0|3,0,1]=4 258 B4R0.1 COC(=S)N MCULE-9414558443 [0,0,0,0,0,0|3,1,0]=4 259 B4R0.1 COC(=S)[S-] MCULE-4829872223 [0,0,0,0,0,0|3,1,0]=4 260 B4R0.1 COC(=S)[S-] MCULE-6509496630 [0,0,0,0,0,0|3,1,0]=4 261 B4R0.1 COC(C)Cl MCULE-9043930044 [0,0,0,0,0,0|3,0,1]=4 262 B4R0.1 CSC(=N)N MCULE-1471368384 [0,0,0,0,0,0|4,0,0]=4 263 B4R0.1 CSC(=N)N MCULE-3394284504 [0,0,0,0,0,0|4,0,0]=4 264 B4R0.1 CSC(=N)N MCULE-3752198299 [0,0,0,0,0,0|4,0,0]=4 265 B4R0.1 CSC(=N)N MCULE-5672446896 [0,0,0,0,0,0|4,0,0]=4 266 B4R0.1 CSC(=N)N MCULE-8409992127 [0,0,0,0,0,0|4,0,0]=4 267 B4R0.1 CSC(=O)C MCULE-7061634598 [0,0,0,0,0,0|2,0,1]=3 268 B4R0.1 CSC(=S)C MCULE-4836153374 [0,0,0,0,0,0|2,1,0]=3 269 B4R0.1 CSC(C)C MCULE-5932565699 [0,0,0,0,0,0|3,0,1]=4 270 B4R0.1 CSS(=O)C MCULE-6515592458 [0,0,0,0,0,0|3,0,1]=4 271 B4R0.1 CS[S+](C)C MCULE-1869043585 [0,0,0,0,0,0|4,0,0]=4 272 B4R0.1 CS[S+](C)C MCULE-4164877790 [0,0,0,0,0,0|4,0,0]=4 273 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [0,0,0,0,0,0|3,0,1]=4 274 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [0,0,0,0,0,0|3,0,1]=4 275 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [0,0,0,0,0,0|3,0,1]=4 276 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [0,0,0,0,0,0|3,0,1]=4 277 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [0,0,0,0,0,0|2,0,2]=4 278 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [0,0,0,0,0,0|2,0,2]=4 279 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [0,0,0,0,0,0|2,0,2]=4 280 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [0,0,0,0,0,0|2,0,2]=4 281 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [0,0,0,0,0,0|3,0,1]=4 282 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [0,0,0,0,0,0|3,0,1]=4 283 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [0,0,0,0,0,0|3,0,1]=4 284 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [0,0,0,0,0,0|3,0,1]=4 285 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [0,0,0,0,0,0|2,0,1]=3 286 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [0,0,0,0,0,0|2,0,1]=3 287 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [0,0,0,0,0,0|2,0,1]=3 288 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [0,0,0,0,0,0|2,0,1]=3 289 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [0,0,0,0,0,0|3,0,1]=4 290 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [0,0,0,0,0,0|3,0,1]=4 291 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [0,0,0,0,0,0|2,0,1]=3 292 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [0,0,0,0,0,0|2,0,1]=3 293 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [0,0,0,0,0,0|2,0,1]=3 294 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [0,0,0,0,0,0|1,0,1]=2 295 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [0,0,0,0,0,0|2,0,1]=3 296 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [0,0,0,0,0,0|2,0,1]=3 297 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [0,0,0,0,0,0|2,0,1]=3 298 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [0,0,0,0,0,0|3,0,1]=4 299 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [0,0,0,0,0,0|3,0,1]=4 300 B4R0.1 C[C@H](F)CO MCULE-1024261541 [0,0,0,0,0,0|3,0,1]=4 301 B4R0.1 C[C@H](F)CO MCULE-7028098137 [0,0,0,0,0,0|3,0,1]=4 302 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [0,0,0,0,0,0|2,0,2]=4 303 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [0,0,0,0,0,0|2,0,2]=4 304 B4R0.1 C[C@H](N)CF MCULE-1053227516 [0,0,0,0,0,0|3,0,1]=4 305 B4R0.1 C[C@H](N)CF MCULE-4024916343 [0,0,0,0,0,0|3,0,1]=4 306 B4R0.1 C[C@H](N)CF MCULE-6312285034 [0,0,0,0,0,0|3,0,1]=4 307 B4R0.1 C[C@H](N)CF MCULE-7630744199 [0,0,0,0,0,0|3,0,1]=4 308 B4R0.1 C[C@H](N)CN MCULE-2048837128 [0,0,0,0,0,0|2,0,1]=3 309 B4R0.1 C[C@H](N)CN MCULE-4105152552 [0,0,0,0,0,0|2,0,1]=3 310 B4R0.1 C[C@H](N)CN MCULE-7106390536 [0,0,0,0,0,0|2,0,1]=3 311 B4R0.1 C[C@H](N)CN MCULE-9863306005 [0,0,0,0,0,0|2,0,1]=3 312 B4R0.1 C[C@H](N)CO MCULE-2471107013 [0,0,0,0,0,0|3,0,1]=4 313 B4R0.1 C[C@H](N)CO MCULE-5424195678 [0,0,0,0,0,0|3,0,1]=4 314 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [0,0,0,0,0,0|2,0,1]=3 315 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [0,0,0,0,0,0|2,0,1]=3 316 B4R0.1 C[C@H](O)CN MCULE-3227371869 [0,0,0,0,0,0|1,0,1]=2 317 B4R0.1 C[C@H](O)CN MCULE-5480489257 [0,0,0,0,0,0|1,0,1]=2 318 B4R0.1 C[C@H](O)CO MCULE-6582852191 [0,0,0,0,0,0|2,0,1]=3 319 B4R0.1 C[C@H](O)CO MCULE-8074793296 [0,0,0,0,0,0|2,0,1]=3 320 B4R0.1 C[C@H](O)CS MCULE-9061842733 [0,0,0,0,0,0|2,0,1]=3 321 B4R0.1 C[N+](=CBr)C MCULE-4078543172 [0,0,0,0,0,0|4,0,0]=4 322 B4R0.1 C[N+](=CBr)C MCULE-9146783444 [0,0,0,0,0,0|4,0,0]=4 323 B4R0.1 C[N+](=CCl)C MCULE-5768539789 [0,0,0,0,0,0|4,0,0]=4 324 B4R0.1 C[N+](=CCl)C MCULE-6936774679 [0,0,0,0,0,0|4,0,0]=4 325 B4R0.1 ClC=C(Cl)Cl MCULE-3945953656 [0,0,0,0,0,0|4,0,0]=4 326 B4R0.1 FC(=CBr)F MCULE-5114290777 [0,0,0,0,0,0|4,0,0]=4 327 B4R0.1 FC=C(Br)Br MCULE-3150710627 [0,0,0,0,0,0|4,0,0]=4 328 B4R0.1 FC=C(F)F MCULE-2449532887 [0,0,0,0,0,0|4,0,0]=4 329 B4R0.1 N=C(N)CCl MCULE-1495198330 [0,0,0,0,0,0|4,0,0]=4 330 B4R0.1 N=C(N)CCl MCULE-2087468158 [0,0,0,0,0,0|4,0,0]=4 331 B4R0.1 N=C(N)CF MCULE-4489534021 [0,0,0,0,0,0|4,0,0]=4 332 B4R0.1 N=C(N)CF MCULE-8858704396 [0,0,0,0,0,0|4,0,0]=4 333 B4R0.1 N=C(N)CN MCULE-2761790792 [0,0,0,0,0,0|3,0,0]=3 334 B4R0.1 N=C(N)CN MCULE-5131841850 [0,0,0,0,0,0|3,0,0]=3 335 B4R0.1 N=C(N)CN MCULE-6618111844 [0,0,0,0,0,0|3,0,0]=3 336 B4R0.1 N=C(N)CO MCULE-5146395919 [0,0,0,0,0,0|4,0,0]=4 337 B4R0.1 N=C(N)CO MCULE-8814507460 [0,0,0,0,0,0|4,0,0]=4 338 B4R0.1 N=C(N)NN MCULE-1109353559 [0,0,0,0,0,0|2,0,1]=3 339 B4R0.1 N=C(N)NN MCULE-3637328913 [0,0,0,0,0,0|2,0,1]=3 340 B4R0.1 N=C(N)NN MCULE-4551185793 [0,0,0,0,0,0|2,0,1]=3 341 B4R0.1 N=C(N)NN MCULE-8251830457 [0,0,0,0,0,0|2,0,1]=3 342 B4R0.1 N=C(N)NO MCULE-2554837832 [0,0,0,0,0,0|3,0,1]=4 343 B4R0.1 N=C(N)NO MCULE-5458374815 [0,0,0,0,0,0|3,0,1]=4 344 B4R0.1 N=C(N)NO MCULE-5913043834 [0,0,0,0,0,0|3,0,1]=4 345 B4R0.1 NC(=NO)N MCULE-7650923271 [0,0,0,0,0,0|3,0,0]=3 346 B4R0.1 NC(=O)CBr MCULE-9306090536 [0,0,0,0,0,0|3,0,1]=4 347 B4R0.1 NC(=O)CCl MCULE-3241549842 [0,0,0,0,0,0|3,0,1]=4 348 B4R0.1 NC(=O)CF MCULE-3344212657 [0,0,0,0,0,0|3,0,1]=4 349 B4R0.1 NC(=O)CI MCULE-4217973413 [0,0,0,0,0,0|3,0,1]=4 350 B4R0.1 NC(=O)CO MCULE-2739878376 [0,0,0,0,0,0|3,0,1]=4 351 B4R0.1 NC(=O)CS MCULE-2639305532 [0,0,0,0,0,0|3,0,1]=4 352 B4R0.1 NC(=O)NO MCULE-9465284053 [0,0,0,0,0,0|2,0,2]=4 353 B4R0.1 NC(=S)CF MCULE-7873791134 [0,0,0,0,0,0|3,1,0]=4 354 B4R0.1 NC(=S)CO MCULE-9301705313 [0,0,0,0,0,0|3,1,0]=4 355 B4R0.1 NCC(=O)N MCULE-1048848056 [0,0,0,0,0,0|2,0,1]=3 356 B4R0.1 NCC(=O)N MCULE-2174395809 [0,0,0,0,0,0|2,0,1]=3 357 B4R0.1 NCC(=O)N MCULE-6113166250 [0,0,0,0,0,0|2,0,1]=3 358 B4R0.1 NCC(=O)O MCULE-2415764032 [0,0,0,0,0,0|2,0,0]=2 359 B4R0.1 NCC(=O)O MCULE-3643110755 [0,0,0,0,0,0|2,0,0]=2 360 B4R0.1 NCC(=O)O MCULE-4349255299 [0,0,0,0,0,0|2,0,0]=2 361 B4R0.1 NCC(=O)O MCULE-9146223615 [0,0,0,0,0,0|2,0,0]=2 362 B4R0.1 NCC(=O)O MCULE-9701991737 [0,0,0,0,0,0|2,0,0]=2 363 B4R0.1 NCC(=O)S MCULE-9837799864 [0,0,0,0,0,0|2,0,1]=3 364 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [0,0,0,0,0,0|2,0,1]=3 365 B4R0.1 NCC(Cl)Cl MCULE-6022785182 [0,0,0,0,0,0|3,0,1]=4 366 B4R0.1 NCC(Cl)Cl MCULE-8181626787 [0,0,0,0,0,0|3,0,1]=4 367 B4R0.1 NCC(F)F MCULE-5562582586 [0,0,0,0,0,0|3,0,1]=4 368 B4R0.1 NCC(F)F MCULE-9437628707 [0,0,0,0,0,0|3,0,1]=4 369 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [0,0,0,0,0,0|3,0,1]=4 370 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [0,0,0,0,0,0|3,0,1]=4 371 B4R0.1 NN=C(N)N MCULE-4671721847 [0,0,0,0,0,0|2,0,0]=2 372 B4R0.1 NNC(=O)N MCULE-3392559370 [0,0,0,0,0,0|1,0,2]=3 373 B4R0.1 NNC(=O)N MCULE-8490374775 [0,0,0,0,0,0|1,0,2]=3 374 B4R0.1 NNC(=S)N MCULE-2970024636 [0,0,0,0,0,0|1,1,1]=3 375 B4R0.1 NNC(=S)N MCULE-6378380063 [0,0,0,0,0,0|1,1,1]=3 376 B4R0.1 O=C(Br)CBr MCULE-6031858200 [0,0,0,0,0,0|3,0,1]=4 377 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [0,0,0,0,0,0|3,0,1]=4 378 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [0,0,0,0,0,0|3,0,1]=4 379 B4R0.1 O=C(Cl)CF MCULE-7182087882 [0,0,0,0,0,0|3,0,1]=4 380 B4R0.1 O=C(Cl)CI MCULE-5719121455 [0,0,0,0,0,0|3,0,1]=4 381 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [0,0,0,0,0,0|3,0,1]=4 382 B4R0.1 O=C(O)CBr MCULE-1503716137 [0,0,0,0,0,0|3,0,0]=3 383 B4R0.1 O=C(O)CCl MCULE-9228754880 [0,0,0,0,0,0|3,0,0]=3 384 B4R0.1 O=C(O)CF MCULE-6584094437 [0,0,0,0,0,0|3,0,0]=3 385 B4R0.1 O=C(O)CI MCULE-3146792857 [0,0,0,0,0,0|3,0,0]=3 386 B4R0.1 O=C(O)CO MCULE-9792551388 [0,0,0,0,0,0|3,0,0]=3 387 B4R0.1 O=C(O)CS MCULE-8097997001 [0,0,0,0,0,0|3,0,0]=3 388 B4R0.1 O=C([O-])CF MCULE-8428965857 [0,0,0,0,0,0|3,0,1]=4 389 B4R0.1 O=C([O-])CO MCULE-2780567509 [0,0,0,0,0,0|3,0,1]=4 390 B4R0.1 O=C([O-])CS MCULE-3314809220 [0,0,0,0,0,0|3,0,1]=4 391 B4R0.1 O=C([O-])CS MCULE-5989133747 [0,0,0,0,0,0|3,0,1]=4 392 B4R0.1 O=CC(=O)O MCULE-5307898766 [0,0,0,0,0,0|3,0,0]=3 393 B4R0.1 O=S(O)CO MCULE-4195832185 [0,0,0,0,0,0|4,0,0]=4 394 B4R0.1 OB(O)CCl MCULE-1740750359 [0,0,0,0,0,0|4,0,0]=4 395 B4R0.1 ON=C(Br)Br MCULE-4053513648 [0,0,0,0,0,0|3,0,0]=3 396 B4R0.1 P(=O)(O)CN MCULE-5441171864 [0,0,0,0,0,0|3,0,0]=3 397 B4R0.1 [C@@H](C)(O)C#C MCULE-8971134855 [0,0,0,0,0,0|2,0,1]=3 398 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [0,0,0,0,0,0|1,0,1]=2 399 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [0,0,0,0,0,0|3,0,1]=4 400 B4R0.1 [NH3+]NC(=N)N MCULE-6971198355 [0,0,0,0,0,0|2,0,2]=4 401 B3R0.1 Br/C=C/Br MCULE-6284547614 [1,0,0,0,0,0|3,0,0]=4 402 B3R0.1 BrC=CBr MCULE-4478409345 [1,0,0,0,0,0|3,0,0]=4 403 B3R0.1 C#CC=O MCULE-4187736819 [1,0,0,0,0,0|2,0,1]=4 404 B3R0.1 C#CCC MCULE-8090253856 [1,0,0,0,0,0|2,0,1]=4 405 B3R0.1 C#CCN MCULE-3201948975 [1,0,0,0,0,0|1,0,2]=4 406 B3R0.1 C#CCN MCULE-6286515491 [1,0,0,0,0,0|1,0,2]=4 407 B3R0.1 C#CCO MCULE-3909200923 [1,0,0,0,0,0|2,0,1]=4 408 B3R0.1 C/B=N/O MCULE-5227399299 [1,0,0,0,0,0|2,0,0]=3 409 B3R0.1 C/C=C/Br MCULE-4076369660 [1,0,0,0,0,0|2,0,0]=3 410 B3R0.1 C/C=N/O MCULE-2376410404 [1,0,0,0,0,0|1,0,0]=2 411 B3R0.1 C=CC#N MCULE-8176403366 [1,0,0,0,0,0|1,0,2]=4 412 B3R0.1 C=CC=C MCULE-4134157329 [1,0,0,0,0,0|2,0,1]=4 413 B3R0.1 C=CC=O MCULE-2104890669 [1,0,0,0,0,0|2,0,1]=4 414 B3R0.1 C=CCBr MCULE-9486454833 [1,0,0,0,0,0|2,0,1]=4 415 B3R0.1 C=CCC MCULE-8167907130 [1,0,0,0,0,0|2,0,1]=4 416 B3R0.1 C=CCCl MCULE-4067772785 [1,0,0,0,0,0|2,0,1]=4 417 B3R0.1 C=CCF MCULE-7783191980 [1,0,0,0,0,0|2,0,1]=4 418 B3R0.1 C=CCI MCULE-5037698873 [1,0,0,0,0,0|2,0,1]=4 419 B3R0.1 C=CCN MCULE-2424616806 [1,0,0,0,0,0|1,0,1]=3 420 B3R0.1 C=CCN MCULE-2473480946 [1,0,0,0,0,0|1,0,1]=3 421 B3R0.1 C=CCO MCULE-2145308838 [1,0,0,0,0,0|2,0,1]=4 422 B3R0.1 C=CCS MCULE-7270484838 [1,0,0,0,0,0|2,0,1]=4 423 B3R0.1 C=COC MCULE-4880746684 [1,0,0,0,0,0|2,0,1]=4 424 B3R0.1 CC#CC MCULE-3721942346 [1,0,0,0,0,0|2,0,1]=4 425 B3R0.1 CC#CI MCULE-4817406645 [1,0,0,0,0,0|2,0,1]=4 426 B3R0.1 CC=CBr MCULE-2098755460 [1,0,0,0,0,0|2,0,0]=3 427 B3R0.1 CC=CCl MCULE-9225887510 [1,0,0,0,0,0|2,0,0]=3 428 B3R0.1 CC=NO MCULE-9761317381 [1,0,0,0,0,0|1,0,0]=2 429 B3R0.1 CCC#N MCULE-9484970536 [1,0,0,0,0,0|1,0,2]=4 430 B3R0.1 CCC=O MCULE-4079744837 [1,0,0,0,0,0|2,0,1]=4 431 B3R0.1 CCCBr MCULE-2393970713 [1,0,0,0,0,0|2,0,1]=4 432 B3R0.1 CCCC MCULE-9760497805 [1,0,0,0,0,0|2,0,1]=4 433 B3R0.1 CCCCl MCULE-3496412829 [1,0,0,0,0,0|2,0,1]=4 434 B3R0.1 CCCF MCULE-8540338768 [1,0,0,0,0,0|2,0,1]=4 435 B3R0.1 CCCI MCULE-1721488805 [1,0,0,0,0,0|2,0,1]=4 436 B3R0.1 CCCN MCULE-2885523792 [1,0,0,0,0,0|1,0,1]=3 437 B3R0.1 CCCN MCULE-4318907091 [1,0,0,0,0,0|1,0,1]=3 438 B3R0.1 CCCN MCULE-6330457870 [1,0,0,0,0,0|1,0,1]=3 439 B3R0.1 CCCN MCULE-7146820007 [1,0,0,0,0,0|1,0,1]=3 440 B3R0.1 CCCO MCULE-6252105126 [1,0,0,0,0,0|2,0,1]=4 441 B3R0.1 CCCS MCULE-8267649092 [1,0,0,0,0,0|2,0,1]=4 442 B3R0.1 CCNC MCULE-7215376398 [1,0,0,0,0,0|1,0,2]=4 443 B3R0.1 CCNC MCULE-9811899205 [1,0,0,0,0,0|1,0,2]=4 444 B3R0.1 CCNN MCULE-4753127904 [1,0,0,0,0,0|0,0,2]=3 445 B3R0.1 CCNN MCULE-7630363192 [1,0,0,0,0,0|0,0,2]=3 446 B3R0.1 CCNN MCULE-8402230944 [1,0,0,0,0,0|0,0,2]=3 447 B3R0.1 CCNO MCULE-1215586669 [1,0,0,0,0,0|1,0,2]=4 448 B3R0.1 CCNO MCULE-7075818857 [1,0,0,0,0,0|1,0,2]=4 449 B3R0.1 CCON MCULE-5316082054 [1,0,0,0,0,0|1,0,1]=3 450 B3R0.1 CCON MCULE-6621418839 [1,0,0,0,0,0|1,0,1]=3 451 B3R0.1 CCO[NH3+] MCULE-7670481464 [1,0,0,0,0,0|1,0,2]=4 452 B3R0.1 CCO[NH3+] MCULE-7871083232 [1,0,0,0,0,0|1,0,2]=4 453 B3R0.1 CCSC MCULE-6944750263 [1,0,0,0,0,0|2,0,1]=4 454 B3R0.1 CN=C=O MCULE-7764606582 [1,0,0,0,0,0|1,0,2]=4 455 B3R0.1 CN=C=S MCULE-6174235995 [1,0,0,0,0,0|1,1,1]=4 456 B3R0.1 CNC#N MCULE-9135475289 [1,0,0,0,0,0|2,0,1]=4 457 B3R0.1 CNC=O MCULE-4739122677 [1,0,0,0,0,0|1,0,2]=4 458 B3R0.1 CNC=S MCULE-1018523469 [1,0,0,0,0,0|1,1,1]=4 459 B3R0.1 CNNC MCULE-5932476941 [1,0,0,0,0,0|2,0,1]=4 460 B3R0.1 CNNC MCULE-6419598860 [1,0,0,0,0,0|2,0,1]=4 461 B3R0.1 CNOC MCULE-1706082503 [1,0,0,0,0,0|2,0,1]=4 462 B3R0.1 CNOC MCULE-6224540090 [1,0,0,0,0,0|2,0,1]=4 463 B3R0.1 COC=O MCULE-9122749354 [1,0,0,0,0,0|2,0,1]=4 464 B3R0.1 COCBr MCULE-2566721472 [1,0,0,0,0,0|3,0,0]=4 465 B3R0.1 COCCl MCULE-5928768006 [1,0,0,0,0,0|3,0,0]=4 466 B3R0.1 COCI MCULE-5215132549 [1,0,0,0,0,0|3,0,0]=4 467 B3R0.1 CSC#N MCULE-3677411130 [1,0,0,0,0,0|2,0,1]=4 468 B3R0.1 CSCCl MCULE-1281800596 [1,0,0,0,0,0|3,0,0]=4 469 B3R0.1 CSSC MCULE-7451882535 [1,0,0,0,0,0|3,0,0]=4 470 B3R0.1 C[Se][Se]C MCULE-1189700302 [1,0,0,0,0,0|3,0,0]=4 471 B3R0.1 Cl/C=C/Cl MCULE-8326307647 [1,0,0,0,0,0|3,0,0]=4 472 B3R0.1 Cl/C=C\Cl MCULE-8638364223 [1,0,0,0,0,0|3,0,0]=4 473 B3R0.1 ClC=CCl MCULE-1709740532 [1,0,0,0,0,0|3,0,0]=4 474 B3R0.1 F/C=C/Cl MCULE-6748930384 [1,0,0,0,0,0|3,0,0]=4 475 B3R0.1 FC=CBr MCULE-3730796032 [1,0,0,0,0,0|3,0,0]=4 476 B3R0.1 FC=CCl MCULE-8668714110 [1,0,0,0,0,0|3,0,0]=4 477 B3R0.1 FC=CF MCULE-1668825245 [1,0,0,0,0,0|3,0,0]=4 478 B3R0.1 N#CCN MCULE-6677928349 [1,0,0,0,0,0|2,0,1]=4 479 B3R0.1 N#CCN MCULE-6699419972 [1,0,0,0,0,0|2,0,1]=4 480 B3R0.1 N/C=N/O MCULE-9567664507 [1,0,0,0,0,0|2,0,0]=3 481 B3R0.1 NCCBr MCULE-3401124597 [1,0,0,0,0,0|2,0,1]=4 482 B3R0.1 NCCBr MCULE-6215378497 [1,0,0,0,0,0|2,0,1]=4 483 B3R0.1 NCCCl MCULE-1458699843 [1,0,0,0,0,0|2,0,1]=4 484 B3R0.1 NCCCl MCULE-6944306112 [1,0,0,0,0,0|2,0,1]=4 485 B3R0.1 NCCF MCULE-1670520169 [1,0,0,0,0,0|2,0,1]=4 486 B3R0.1 NCCF MCULE-4963351029 [1,0,0,0,0,0|2,0,1]=4 487 B3R0.1 NCCI MCULE-6905308399 [1,0,0,0,0,0|2,0,1]=4 488 B3R0.1 NCCI MCULE-7487764362 [1,0,0,0,0,0|2,0,1]=4 489 B3R0.1 NCCN MCULE-4740333723 [1,0,0,0,0,0|2,0,1]=4 490 B3R0.1 NCCN MCULE-6795272853 [1,0,0,0,0,0|2,0,1]=4 491 B3R0.1 NCCN MCULE-8304126024 [1,0,0,0,0,0|2,0,1]=4 492 B3R0.1 NCCN MCULE-8325612144 [1,0,0,0,0,0|2,0,1]=4 493 B3R0.1 NCCO MCULE-5175116598 [1,0,0,0,0,0|1,0,1]=3 494 B3R0.1 NCCO MCULE-8624730373 [1,0,0,0,0,0|1,0,1]=3 495 B3R0.1 NCCS MCULE-1838427828 [1,0,0,0,0,0|1,1,1]=4 496 B3R0.1 NCCS MCULE-2418938683 [1,0,0,0,0,0|1,1,1]=4 497 B3R0.1 NNC=O MCULE-6986968107 [1,0,0,0,0,0|0,0,2]=3 498 B3R0.1 NOC=O MCULE-4489199776 [1,0,0,0,0,0|1,0,1]=3 499 B3R0.1 O=CC=O MCULE-3212938778 [1,0,0,0,0,0|2,0,1]=4 500 B3R0.1 O=CCBr MCULE-9076011270 [1,0,0,0,0,0|2,0,1]=4 501 B3R0.1 O=CCCl MCULE-7307216184 [1,0,0,0,0,0|2,0,1]=4 502 B3R0.1 O=CCI MCULE-1146810366 [1,0,0,0,0,0|2,0,1]=4 503 B3R0.1 OCCBr MCULE-5097256006 [1,0,0,0,0,0|2,0,1]=4 504 B3R0.1 OCCCl MCULE-5139580173 [1,0,0,0,0,0|2,0,1]=4 505 B3R0.1 OCCF MCULE-7590677201 [1,0,0,0,0,0|2,0,1]=4 506 B3R0.1 OCCI MCULE-8359750387 [1,0,0,0,0,0|2,0,1]=4 507 B3R0.1 OCCO MCULE-6366313128 [1,0,0,0,0,0|2,0,1]=4 508 B3R0.1 OCCS MCULE-2252943288 [1,0,0,0,0,0|2,0,1]=4 509 B3R0.2 BN(C)C MCULE-2470964161 [1,0,0,0,0,0|3,0,0]=4 510 B3R0.2 C=C(C)Br MCULE-7805530064 [1,0,0,0,0,0|2,0,0]=3 511 B3R0.2 C=C(C)C MCULE-5640095130 [1,0,0,0,0,0|2,0,0]=3 512 B3R0.2 C=C(C)Cl MCULE-1752401095 [1,0,0,0,0,0|2,0,0]=3 513 B3R0.2 C=C(C)F MCULE-3213198231 [1,0,0,0,0,0|2,0,0]=3 514 B3R0.2 C=C(Cl)Cl MCULE-1430323756 [1,0,0,0,0,0|2,0,1]=4 515 B3R0.2 C=C(F)Cl MCULE-8528897253 [1,0,0,0,0,0|2,0,1]=4 516 B3R0.2 C=C(F)F MCULE-2471767745 [1,0,0,0,0,0|2,0,1]=4 517 B3R0.2 C=[N+](C)C MCULE-4450980212 [1,0,0,0,0,0|3,0,0]=4 518 B3R0.2 C=[N+](C)C MCULE-5309464837 [1,0,0,0,0,0|3,0,0]=4 519 B3R0.2 C=[N+](C)C MCULE-9321779445 [1,0,0,0,0,0|3,0,0]=4 520 B3R0.2 CB(O)O MCULE-3510763826 [1,0,0,0,0,0|2,0,0]=3 521 B3R0.2 CC(=N)N MCULE-3235425606 [1,0,0,0,0,0|1,0,0]=2 522 B3R0.2 CC(=N)N MCULE-3546679379 [1,0,0,0,0,0|1,0,0]=2 523 B3R0.2 CC(=N)N MCULE-3597638887 [1,0,0,0,0,0|1,0,0]=2 524 B3R0.2 CC(=N)N MCULE-9831274654 [1,0,0,0,0,0|1,0,0]=2 525 B3R0.2 CC(=O)Br MCULE-4892265063 [1,0,0,0,0,0|1,0,1]=3 526 B3R0.2 CC(=O)C MCULE-6679625040 [1,0,0,0,0,0|1,0,1]=3 527 B3R0.2 CC(=O)Cl MCULE-9041746362 [1,0,0,0,0,0|1,0,1]=3 528 B3R0.2 CC(=O)I MCULE-4812718701 [1,0,0,0,0,0|1,0,1]=3 529 B3R0.2 CC(=O)N MCULE-9280264861 [1,0,0,0,0,0|0,0,1]=2 530 B3R0.2 CC(=O)O MCULE-1502330578 [1,0,0,0,0,0|1,0,0]=2 531 B3R0.2 CC(=O)O MCULE-5514028500 [1,0,0,0,0,0|1,0,0]=2 532 B3R0.2 CC(=O)O MCULE-5942589566 [1,0,0,0,0,0|1,0,0]=2 533 B3R0.2 CC(=O)O MCULE-6780070129 [1,0,0,0,0,0|1,0,0]=2 534 B3R0.2 CC(=O)O MCULE-8295936189 [1,0,0,0,0,0|1,0,0]=2 535 B3R0.2 CC(=O)O MCULE-9103972283 [1,0,0,0,0,0|1,0,0]=2 536 B3R0.2 CC(=O)O MCULE-9900518424 [1,0,0,0,0,0|1,0,0]=2 537 B3R0.2 CC(=O)S MCULE-5769447035 [1,0,0,0,0,0|1,0,1]=3 538 B3R0.2 CC(=O)[O-] MCULE-2314460022 [1,0,0,0,0,0|1,0,1]=3 539 B3R0.2 CC(=O)[O-] MCULE-2960771771 [1,0,0,0,0,0|1,0,1]=3 540 B3R0.2 CC(=O)[O-] MCULE-5334052410 [1,0,0,0,0,0|1,0,1]=3 541 B3R0.2 CC(=O)[O-] MCULE-5482908386 [1,0,0,0,0,0|1,0,1]=3 542 B3R0.2 CC(=O)[O-] MCULE-9723570182 [1,0,0,0,0,0|1,0,1]=3 543 B3R0.2 CC(=O)[O-] MCULE-9910426896 [1,0,0,0,0,0|1,0,1]=3 544 B3R0.2 CC(=S)N MCULE-4635097605 [1,0,0,0,0,0|0,1,0]=2 545 B3R0.2 CC(=S)[O-] MCULE-1878530758 [1,0,0,0,0,0|1,0,1]=3 546 B3R0.2 CC(Br)Br MCULE-3156450089 [1,0,0,0,0,0|2,0,1]=4 547 B3R0.2 CC(C)Br MCULE-4068304617 [1,0,0,0,0,0|2,0,1]=4 548 B3R0.2 CC(C)C MCULE-6616676274 [1,0,0,0,0,0|2,0,1]=4 549 B3R0.2 CC(C)Cl MCULE-3190141598 [1,0,0,0,0,0|2,0,1]=4 550 B3R0.2 CC(C)F MCULE-5333357055 [1,0,0,0,0,0|2,0,1]=4 551 B3R0.2 CC(C)I MCULE-6151711033 [1,0,0,0,0,0|2,0,1]=4 552 B3R0.2 CC(C)N MCULE-1048799006 [1,0,0,0,0,0|1,0,1]=3 553 B3R0.2 CC(C)N MCULE-1125416142 [1,0,0,0,0,0|1,0,1]=3 554 B3R0.2 CC(C)N MCULE-2418429353 [1,0,0,0,0,0|1,0,1]=3 555 B3R0.2 CC(C)N MCULE-7280647435 [1,0,0,0,0,0|1,0,1]=3 556 B3R0.2 CC(C)O MCULE-6646752234 [1,0,0,0,0,0|1,0,1]=3 557 B3R0.2 CC(C)S MCULE-8283942088 [1,0,0,0,0,0|1,1,1]=4 558 B3R0.2 CC(Cl)Br MCULE-6166388747 [1,0,0,0,0,0|2,0,1]=4 559 B3R0.2 CC(Cl)Cl MCULE-2444543893 [1,0,0,0,0,0|2,0,1]=4 560 B3R0.2 CC(F)Cl MCULE-1350283946 [1,0,0,0,0,0|2,0,1]=4 561 B3R0.2 CC(F)F MCULE-1642052461 [1,0,0,0,0,0|2,0,1]=4 562 B3R0.2 CN(=O)=O MCULE-8704524604 [1,0,0,0,0,0|2,0,1]=4 563 B3R0.2 CN(C)C MCULE-5179437979 [1,0,0,0,0,0|3,0,0]=4 564 B3R0.2 CN(C)C MCULE-6816696733 [1,0,0,0,0,0|3,0,0]=4 565 B3R0.2 CN(C)C MCULE-7903544426 [1,0,0,0,0,0|3,0,0]=4 566 B3R0.2 CN(C)N MCULE-7177216911 [1,0,0,0,0,0|2,0,0]=3 567 B3R0.2 CN(C)N MCULE-8775366011 [1,0,0,0,0,0|2,0,0]=3 568 B3R0.2 CN(C)O MCULE-6572915706 [1,0,0,0,0,0|2,0,0]=3 569 B3R0.2 CN(C)O MCULE-6950647562 [1,0,0,0,0,0|2,0,0]=3 570 B3R0.2 CP(=O)C MCULE-6150886622 [1,0,0,0,0,0|2,0,1]=4 571 B3R0.2 CP(C)C MCULE-6703190251 [1,0,0,0,0,0|3,0,0]=4 572 B3R0.2 CS(=O)C MCULE-2005841258 [1,0,0,0,0,0|2,0,1]=4 573 B3R0.2 CS(=O)Cl MCULE-1292201352 [1,0,0,0,0,0|2,0,1]=4 574 B3R0.2 CS(=O)N MCULE-5162949591 [1,0,0,0,0,0|1,0,1]=3 575 B3R0.2 CS(=O)O MCULE-8711306710 [1,0,0,0,0,0|2,0,0]=3 576 B3R0.2 CS(=O)[O-] MCULE-1437194827 [1,0,0,0,0,0|2,0,1]=4 577 B3R0.2 C[Ga](C)C MCULE-6013775603 [1,0,0,0,0,0|3,0,0]=4 578 B3R0.2 C[In](C)C MCULE-1424187192 [1,0,0,0,0,0|3,0,0]=4 579 B3R0.2 C[O+](C)C MCULE-2925451414 [1,0,0,0,0,0|3,0,0]=4 580 B3R0.2 C[S+](C)Br MCULE-2734391695 [1,0,0,0,0,0|3,0,0]=4 581 B3R0.2 C[S+](C)Br MCULE-6411921824 [1,0,0,0,0,0|3,0,0]=4 582 B3R0.2 C[S+](C)C MCULE-5867625832 [1,0,0,0,0,0|3,0,0]=4 583 B3R0.2 C[S+](C)C MCULE-7678314643 [1,0,0,0,0,0|3,0,0]=4 584 B3R0.2 C[S+](C)C MCULE-8005905986 [1,0,0,0,0,0|3,0,0]=4 585 B3R0.2 C[Se](=O)C MCULE-4596040471 [1,0,0,0,0,0|2,0,1]=4 586 B3R0.2 C[Se](=O)O MCULE-5568767851 [1,0,0,0,0,0|2,0,0]=3 587 B3R0.2 N=C(N)Cl MCULE-4764134011 [1,0,0,0,0,0|2,0,0]=3 588 B3R0.2 N=C(N)Cl MCULE-7852054677 [1,0,0,0,0,0|2,0,0]=3 589 B3R0.2 N=C(N)N MCULE-1152750770 [1,0,0,0,0,0|2,0,0]=3 590 B3R0.2 N=C(N)N MCULE-1411566696 [1,0,0,0,0,0|2,0,0]=3 591 B3R0.2 N=C(N)N MCULE-4266731066 [1,0,0,0,0,0|2,0,0]=3 592 B3R0.2 N=C(N)N MCULE-5921771392 [1,0,0,0,0,0|2,0,0]=3 593 B3R0.2 N=C(N)N MCULE-6036914599 [1,0,0,0,0,0|2,0,0]=3 594 B3R0.2 N=C(N)N MCULE-6164013415 [1,0,0,0,0,0|2,0,0]=3 595 B3R0.2 N=C(N)N MCULE-9649225484 [1,0,0,0,0,0|2,0,0]=3 596 B3R0.2 NC(=O)N MCULE-3224868954 [1,0,0,0,0,0|1,0,1]=3 597 B3R0.2 NC(=O)N MCULE-8513891094 [1,0,0,0,0,0|1,0,1]=3 598 B3R0.2 NC(=O)O MCULE-1579038047 [1,0,0,0,0,0|1,0,0]=2 599 B3R0.2 NC(=O)O MCULE-3232812015 [1,0,0,0,0,0|1,0,0]=2 600 B3R0.2 NC(=S)N MCULE-5046264236 [1,0,0,0,0,0|1,1,0]=3 601 B3R0.2 NC(=S)S MCULE-6182511253 [1,0,0,0,0,0|1,1,0]=3 602 B3R0.2 NC(=S)[S-] MCULE-1680327465 [1,0,0,0,0,0|1,1,0]=3 603 B3R0.2 NC(=[Se])N MCULE-3936244532 [1,0,0,0,0,0|1,1,0]=3 604 B3R0.2 O=C(Cl)[Au] MCULE-6601882022 [1,0,0,0,0,0|2,0,1]=4 605 B3R0.2 O=C(O)O MCULE-3743781291 [1,0,0,0,0,0|2,0,0]=3 606 B3R0.2 O=C(O)O MCULE-6373078171 [1,0,0,0,0,0|2,0,0]=3 607 B3R0.2 O=C([O-])O MCULE-5529655359 [1,0,0,0,0,0|2,0,0]=3 608 B3R0.2 O=C([O-])O MCULE-7293729150 [1,0,0,0,0,0|2,0,0]=3 609 B3R0.2 O=C([O-])[O-] MCULE-1092668330 [1,0,0,0,0,0|2,0,1]=4 610 B3R0.2 O=C([O-])[O-] MCULE-1095103800 [1,0,0,0,0,0|2,0,1]=4 611 B3R0.2 O=C([O-])[O-] MCULE-1597066471 [1,0,0,0,0,0|2,0,1]=4 612 B3R0.2 O=C([O-])[O-] MCULE-2005483457 [1,0,0,0,0,0|2,0,1]=4 613 B3R0.2 O=C([O-])[O-] MCULE-3299525070 [1,0,0,0,0,0|2,0,1]=4 614 B3R0.2 O=C([O-])[O-] MCULE-4074516840 [1,0,0,0,0,0|2,0,1]=4 615 B3R0.2 O=C([O-])[O-] MCULE-4180727513 [1,0,0,0,0,0|2,0,1]=4 616 B3R0.2 O=C([O-])[O-] MCULE-4294265087 [1,0,0,0,0,0|2,0,1]=4 617 B3R0.2 O=C([O-])[O-] MCULE-5127021441 [1,0,0,0,0,0|2,0,1]=4 618 B3R0.2 O=C([O-])[O-] MCULE-5345790821 [1,0,0,0,0,0|2,0,1]=4 619 B3R0.2 O=C([O-])[O-] MCULE-6214917073 [1,0,0,0,0,0|2,0,1]=4 620 B3R0.2 O=C([O-])[O-] MCULE-6757968396 [1,0,0,0,0,0|2,0,1]=4 621 B3R0.2 O=C([O-])[O-] MCULE-7714638074 [1,0,0,0,0,0|2,0,1]=4 622 B3R0.2 O=C([O-])[O-] MCULE-8731559807 [1,0,0,0,0,0|2,0,1]=4 623 B3R0.2 O=I(=O)O MCULE-6335954469 [1,0,0,0,0,0|3,0,0]=4 624 B3R0.2 O=I(=O)O MCULE-7906123102 [1,0,0,0,0,0|3,0,0]=4 625 B3R0.2 O=N(=O)O MCULE-5926867268 [1,0,0,0,0,0|3,0,0]=4 626 B3R0.2 O=N(=O)O MCULE-8501453871 [1,0,0,0,0,0|3,0,0]=4 627 B3R0.2 O=P(=O)O MCULE-3007887617 [1,0,0,0,0,0|3,0,0]=4 628 B3R0.2 O=P(O)O MCULE-8889145943 [1,0,0,0,0,0|3,0,0]=4 629 B3R0.2 O=P([O-])O MCULE-3773885400 [1,0,0,0,0,0|3,0,0]=4 630 B3R0.2 O=P([O-])O MCULE-6745348516 [1,0,0,0,0,0|3,0,0]=4 631 B3R0.2 O=S(=O)O MCULE-7070708516 [1,0,0,0,0,0|3,0,0]=4 632 B3R0.2 O=S(O)O MCULE-3188569799 [1,0,0,0,0,0|3,0,0]=4 633 B3R0.2 O=S(O)O MCULE-7812738469 [1,0,0,0,0,0|3,0,0]=4 634 B3R0.2 O=[Se](O)O MCULE-9081277469 [1,0,0,0,0,0|3,0,0]=4 635 B3R0.2 O=[Si](O)O MCULE-3228936275 [1,0,0,0,0,0|2,1,0]=4 636 B3R0.2 OB(O)O MCULE-2905906674 [1,0,0,0,0,0|3,0,0]=4 637 B3R0.2 OB(O)O MCULE-8095091838 [1,0,0,0,0,0|3,0,0]=4 638 B3R0.2 OP(O)O MCULE-9313199709 [1,0,0,0,0,0|3,0,0]=4 639 B3R0.2 S=C(Cl)Cl MCULE-2150830304 [1,0,0,0,0,0|2,1,0]=4 640 B3R0.2 [O-]P([O-])O MCULE-1307635620 [1,0,0,0,0,0|3,0,0]=4 641 B3R0.2 [O-]P([O-])O MCULE-4722745097 [1,0,0,0,0,0|3,0,0]=4 642 B5R0.1 C#CCC(=O)O MCULE-4680699666 [0,1,0,0,0,0|3,0,0]=4 643 B5R0.1 C#CCC(C)O MCULE-2487589857 [0,1,0,0,0,0|2,0,1]=4 644 B5R0.1 C/C(=C/C#N)/N MCULE-2195544039 [0,1,0,0,0,0|2,0,1]=4 645 B5R0.1 C/C(=C/CI)/I MCULE-4907089043 [0,1,0,0,0,0|3,0,0]=4 646 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [0,1,0,0,0,0|2,0,0]=3 647 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [0,1,0,0,0,0|2,0,0]=3 648 B5R0.1 C/C(=C\CCl)/Cl MCULE-6679259233 [0,1,0,0,0,0|3,0,0]=4 649 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [0,1,0,0,0,0|2,0,1]=4 650 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [0,1,0,0,0,0|3,0,0]=4 651 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [0,1,0,0,0,0|2,0,1]=4 652 B5R0.1 C=C(C)CCBr MCULE-3439794005 [0,1,0,0,0,0|3,0,0]=4 653 B5R0.1 C=C(C)CCC MCULE-8225129744 [0,1,0,0,0,0|3,0,0]=4 654 B5R0.1 C=C(C)CCCl MCULE-2816016781 [0,1,0,0,0,0|3,0,0]=4 655 B5R0.1 C=C(C)CCI MCULE-6317205481 [0,1,0,0,0,0|3,0,0]=4 656 B5R0.1 C=C(C)CCN MCULE-4037025602 [0,1,0,0,0,0|2,0,0]=3 657 B5R0.1 C=C(C)CCN MCULE-5001503744 [0,1,0,0,0,0|2,0,0]=3 658 B5R0.1 C=C(C)CCO MCULE-2689800711 [0,1,0,0,0,0|3,0,0]=4 659 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,1,0,0,0,0|2,0,0]=3 660 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,1,0,0,0,0|2,0,0]=3 661 B5R0.1 C=C(C)CNN MCULE-1117931770 [0,1,0,0,0,0|1,0,1]=3 662 B5R0.1 C=C(C)CON MCULE-2773974323 [0,1,0,0,0,0|2,0,0]=3 663 B5R0.1 C=C(C)CON MCULE-5978680243 [0,1,0,0,0,0|2,0,0]=3 664 B5R0.1 C=C(C)OCC MCULE-5303468686 [0,1,0,0,0,0|3,0,0]=4 665 B5R0.1 C=CC=C(C)C MCULE-7590870659 [0,1,0,0,0,0|3,0,0]=4 666 B5R0.1 C=CCC(=C)C MCULE-6294070836 [0,1,0,0,0,0|3,0,0]=4 667 B5R0.1 C=CCC(=O)O MCULE-6288979337 [0,1,0,0,0,0|3,0,0]=4 668 B5R0.1 C=CCC(C)O MCULE-7724200334 [0,1,0,0,0,0|2,0,1]=4 669 B5R0.1 C=CCC(C)O MCULE-9910771503 [0,1,0,0,0,0|2,0,1]=4 670 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [0,1,0,0,0,0|2,0,1]=4 671 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [0,1,0,0,0,0|2,0,1]=4 672 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [0,1,0,0,0,0|2,0,1]=4 673 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [0,1,0,0,0,0|2,0,1]=4 674 B5R0.1 C=CNC(=O)C MCULE-1260296806 [0,1,0,0,0,0|1,0,2]=4 675 B5R0.1 C=COC(=O)C MCULE-7626795765 [0,1,0,0,0,0|2,0,1]=4 676 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,1,0,0,0,0|2,0,1]=4 677 B5R0.1 C=NCC(=S)N MCULE-6261527142 [0,1,0,0,0,0|2,1,0]=4 678 B5R0.1 CC#CC(=O)C MCULE-4083248904 [0,1,0,0,0,0|2,0,1]=4 679 B5R0.1 CC#CC(=O)O MCULE-9994142213 [0,1,0,0,0,0|3,0,0]=4 680 B5R0.1 CC#CC(C)O MCULE-5523814936 [0,1,0,0,0,0|2,0,1]=4 681 B5R0.1 CC(=CC#N)C MCULE-7179601066 [0,1,0,0,0,0|2,0,1]=4 682 B5R0.1 CC(=CC#N)N MCULE-7342293837 [0,1,0,0,0,0|2,0,1]=4 683 B5R0.1 CC(=CC=O)C MCULE-7002222435 [0,1,0,0,0,0|3,0,0]=4 684 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [0,1,0,0,0,0|3,0,0]=4 685 B5R0.1 CC(=CC=O)N MCULE-2659507627 [0,1,0,0,0,0|3,0,0]=4 686 B5R0.1 CC(=CCBr)C MCULE-7961276795 [0,1,0,0,0,0|3,0,0]=4 687 B5R0.1 CC(=CCCl)C MCULE-1110417103 [0,1,0,0,0,0|3,0,0]=4 688 B5R0.1 CC(=CCCl)Cl MCULE-9735045489 [0,1,0,0,0,0|3,0,0]=4 689 B5R0.1 CC(=CCI)I MCULE-4204968539 [0,1,0,0,0,0|3,0,0]=4 690 B5R0.1 CC(=CCN)C MCULE-7220252581 [0,1,0,0,0,0|2,0,0]=3 691 B5R0.1 CC(=CCN)C MCULE-8394581250 [0,1,0,0,0,0|2,0,0]=3 692 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [0,1,0,0,0,0|2,0,0]=3 693 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [0,1,0,0,0,0|2,0,0]=3 694 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,1,0,0,0,0|3,0,0]=4 695 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,1,0,0,0,0|3,0,0]=4 696 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,1,0,0,0,0|3,0,0]=4 697 B5R0.1 CC(=CCS)C MCULE-4180446913 [0,1,0,0,0,0|3,0,0]=4 698 B5R0.1 CC(=N)NC#N MCULE-7065360421 [0,1,0,0,0,0|1,0,2]=4 699 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,1,0,0,0,0|1,0,1]=3 700 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,1,0,0,0,0|1,0,1]=3 701 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [0,1,0,0,0,0|2,0,1]=4 702 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,1,0,0,0,0|1,0,1]=3 703 B5R0.1 CC(=O)CC#N MCULE-7203242552 [0,1,0,0,0,0|1,0,2]=4 704 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,1,0,0,0,0|2,0,1]=4 705 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,1,0,0,0,0|2,0,1]=4 706 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,1,0,0,0,0|1,0,1]=3 707 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,1,0,0,0,0|1,0,1]=3 708 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,1,0,0,0,0|2,0,1]=4 709 B5R0.1 CC(=O)N=C=S MCULE-7540453687 [0,1,0,0,0,0|1,0,1]=3 710 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [0,1,0,0,0,0|1,0,1]=3 711 B5R0.1 CC(=O)NC#N MCULE-8444599659 [0,1,0,0,0,0|0,0,3]=4 712 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,1,0,0,0,0|1,0,2]=4 713 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,1,0,0,0,0|2,0,1]=4 714 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,1,0,0,0,0|2,0,1]=4 715 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,1,0,0,0,0|2,0,1]=4 716 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [0,1,0,0,0,0|2,0,1]=4 717 B5R0.1 CC(C)C=NO MCULE-9842574696 [0,1,0,0,0,0|2,0,1]=4 718 B5R0.1 CC(C)CCN MCULE-3081003576 [0,1,0,0,0,0|2,0,1]=4 719 B5R0.1 CC(C)CCN MCULE-5118782389 [0,1,0,0,0,0|2,0,1]=4 720 B5R0.1 CC(C)CCN MCULE-5217981670 [0,1,0,0,0,0|2,0,1]=4 721 B5R0.1 CC(C)CCN MCULE-6280940933 [0,1,0,0,0,0|2,0,1]=4 722 B5R0.1 CC(C)CNN MCULE-6797887001 [0,1,0,0,0,0|1,0,2]=4 723 B5R0.1 CC(C)CNN MCULE-9592971233 [0,1,0,0,0,0|1,0,2]=4 724 B5R0.1 CC(C)CNN MCULE-9725792452 [0,1,0,0,0,0|1,0,2]=4 725 B5R0.1 CC(C)CON MCULE-3476786246 [0,1,0,0,0,0|2,0,1]=4 726 B5R0.1 CC(C)CON MCULE-4450654727 [0,1,0,0,0,0|2,0,1]=4 727 B5R0.1 CC(C)N=C=O MCULE-8392299675 [0,1,0,0,0,0|2,0,1]=4 728 B5R0.1 CC(C)N=C=S MCULE-7689456429 [0,1,0,0,0,0|2,0,1]=4 729 B5R0.1 CC(C)N=N#N MCULE-4920057169 [0,1,0,0,0,0|1,0,2]=4 730 B5R0.1 CC(F)CCN MCULE-2805813131 [0,1,0,0,0,0|2,0,1]=4 731 B5R0.1 CC(F)CCN MCULE-5849913362 [0,1,0,0,0,0|2,0,1]=4 732 B5R0.1 CC(N)CCN MCULE-5308134596 [0,1,0,0,0,0|2,0,1]=4 733 B5R0.1 CC(N)CCN MCULE-5880045507 [0,1,0,0,0,0|2,0,1]=4 734 B5R0.1 CC(N)CCN MCULE-7827515430 [0,1,0,0,0,0|2,0,1]=4 735 B5R0.1 CC(O)CC#N MCULE-7172428142 [0,1,0,0,0,0|1,0,2]=4 736 B5R0.1 CC(O)CCBr MCULE-7983169885 [0,1,0,0,0,0|2,0,1]=4 737 B5R0.1 CC(O)CCCl MCULE-2952545606 [0,1,0,0,0,0|2,0,1]=4 738 B5R0.1 CC(O)CCN MCULE-6836791276 [0,1,0,0,0,0|1,0,1]=3 739 B5R0.1 CC(O)CCN MCULE-7186260925 [0,1,0,0,0,0|1,0,1]=3 740 B5R0.1 CC(O)CCO MCULE-1694239851 [0,1,0,0,0,0|2,0,1]=4 741 B5R0.1 CC(O)CCO MCULE-7784884948 [0,1,0,0,0,0|2,0,1]=4 742 B5R0.1 CC(O)CNN MCULE-4956670781 [0,1,0,0,0,0|0,0,2]=3 743 B5R0.1 CC(O)CNN MCULE-7917439573 [0,1,0,0,0,0|0,0,2]=3 744 B5R0.1 CC(O)CON MCULE-1051091134 [0,1,0,0,0,0|1,0,1]=3 745 B5R0.1 CC(O)CON MCULE-6722092589 [0,1,0,0,0,0|1,0,1]=3 746 B5R0.1 CC=CC(=O)C MCULE-4826977340 [0,1,0,0,0,0|2,0,1]=4 747 B5R0.1 CC=CC(=O)O MCULE-7970410217 [0,1,0,0,0,0|3,0,0]=4 748 B5R0.1 CC=CC(C)O MCULE-4806592836 [0,1,0,0,0,0|2,0,1]=4 749 B5R0.1 CC=NN(C)C MCULE-7039280578 [0,1,0,0,0,0|3,0,0]=4 750 B5R0.1 CCC=C(C)C MCULE-2405063894 [0,1,0,0,0,0|3,0,0]=4 751 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,1,0,0,0,0|2,0,1]=4 752 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,1,0,0,0,0|3,0,0]=4 753 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,1,0,0,0,0|3,0,0]=4 754 B5R0.1 CCCC(C)O MCULE-8205906299 [0,1,0,0,0,0|2,0,1]=4 755 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [0,1,0,0,0,0|2,0,1]=4 756 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [0,1,0,0,0,0|2,0,1]=4 757 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,1,0,0,0,0|1,0,2]=4 758 B5R0.1 CCOC(=N)C MCULE-3060267072 [0,1,0,0,0,0|3,0,0]=4 759 B5R0.1 CCOC(=N)C MCULE-3943786182 [0,1,0,0,0,0|3,0,0]=4 760 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,1,0,0,0,0|2,0,1]=4 761 B5R0.1 CCOC(=S)C MCULE-3358897597 [0,1,0,0,0,0|2,1,0]=4 762 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,1,0,0,0,0|2,0,1]=4 763 B5R0.1 CCSC(=S)C MCULE-1502137460 [0,1,0,0,0,0|2,1,0]=4 764 B5R0.1 CN(C)CCN MCULE-6693759372 [0,1,0,0,0,0|3,0,0]=4 765 B5R0.1 CN(C)CCN MCULE-6929925748 [0,1,0,0,0,0|3,0,0]=4 766 B5R0.1 CN(C)CCN MCULE-7881547574 [0,1,0,0,0,0|3,0,0]=4 767 B5R0.1 CN(N)CCN MCULE-2782966878 [0,1,0,0,0,0|3,0,0]=4 768 B5R0.1 CN=CN(C)C MCULE-2522407175 [0,1,0,0,0,0|3,0,0]=4 769 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,1,0,0,0,0|1,0,1]=3 770 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,1,0,0,0,0|1,0,1]=3 771 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,1,0,0,0,0|2,0,1]=4 772 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,1,0,0,0,0|2,0,1]=4 773 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,1,0,0,0,0|2,0,1]=4 774 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,1,0,0,0,0|2,0,0]=3 775 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,1,0,0,0,0|2,0,0]=3 776 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,1,0,0,0,0|2,0,1]=4 777 B5R0.1 CNCC(C)C MCULE-6582386339 [0,1,0,0,0,0|2,0,1]=4 778 B5R0.1 CNCC(C)C MCULE-6856717783 [0,1,0,0,0,0|2,0,1]=4 779 B5R0.1 CNCC(C)F MCULE-4381138647 [0,1,0,0,0,0|2,0,1]=4 780 B5R0.1 CNCC(C)F MCULE-9018181183 [0,1,0,0,0,0|2,0,1]=4 781 B5R0.1 CNCC(C)O MCULE-3671071529 [0,1,0,0,0,0|1,0,1]=3 782 B5R0.1 CNCC(C)O MCULE-4171705304 [0,1,0,0,0,0|1,0,1]=3 783 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [0,1,0,0,0,0|1,0,1]=3 784 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [0,1,0,0,0,0|1,0,1]=3 785 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [0,1,0,0,0,0|1,0,1]=3 786 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [0,1,0,0,0,0|1,0,1]=3 787 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [0,1,0,0,0,0|1,0,1]=3 788 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [0,1,0,0,0,0|1,0,1]=3 789 B5R0.1 CNN=C(C)C MCULE-6307375856 [0,1,0,0,0,0|1,0,0]=2 790 B5R0.1 CNNC(=S)N MCULE-5838387497 [0,1,0,0,0,0|1,1,1]=4 791 B5R0.1 CNOC(=O)C MCULE-1464426541 [0,1,0,0,0,0|1,0,1]=3 792 B5R0.1 CNOC(=O)C MCULE-2976282666 [0,1,0,0,0,0|1,0,1]=3 793 B5R0.1 COC=C(C)C MCULE-6348538911 [0,1,0,0,0,0|3,0,0]=4 794 B5R0.1 COCC(=O)C MCULE-7262197587 [0,1,0,0,0,0|2,0,1]=4 795 B5R0.1 COCC(=O)O MCULE-3945589151 [0,1,0,0,0,0|3,0,0]=4 796 B5R0.1 COCC(C)O MCULE-4022733014 [0,1,0,0,0,0|2,0,1]=4 797 B5R0.1 COCC(C)O MCULE-7513310960 [0,1,0,0,0,0|2,0,1]=4 798 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [0,1,0,0,0,0|2,0,1]=4 799 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [0,1,0,0,0,0|2,0,1]=4 800 B5R0.1 COC[C@H](C)O MCULE-5908531683 [0,1,0,0,0,0|2,0,1]=4 801 B5R0.1 COC[C@H](C)O MCULE-8619138238 [0,1,0,0,0,0|2,0,1]=4 802 B5R0.1 CONC(=O)C MCULE-6601866630 [0,1,0,0,0,0|1,0,2]=4 803 B5R0.1 CONC(=S)C MCULE-1876042939 [0,1,0,0,0,0|1,1,1]=4 804 B5R0.1 CS(=O)CCN MCULE-6497874560 [0,1,0,0,0,0|2,0,1]=4 805 B5R0.1 CS(=O)CCN MCULE-8275663766 [0,1,0,0,0,0|2,0,1]=4 806 B5R0.1 CS(=O)CCN MCULE-8330490290 [0,1,0,0,0,0|2,0,1]=4 807 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,1,0,0,0,0|2,0,1]=4 808 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,1,0,0,0,0|3,0,0]=4 809 B5R0.1 CSCC(C)O MCULE-2227652351 [0,1,0,0,0,0|2,0,1]=4 810 B5R0.1 CSNC(=O)C MCULE-7350061514 [0,1,0,0,0,0|1,0,2]=4 811 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [0,1,0,0,0,0|1,0,2]=4 812 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [0,1,0,0,0,0|1,0,1]=3 813 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [0,1,0,0,0,0|1,0,1]=3 814 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [0,1,0,0,0,0|1,0,1]=3 815 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [0,1,0,0,0,0|1,0,1]=3 816 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [0,1,0,0,0,0|2,0,1]=4 817 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [0,1,0,0,0,0|2,0,1]=4 818 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [0,1,0,0,0,0|1,0,1]=3 819 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [0,1,0,0,0,0|1,0,1]=3 820 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [0,1,0,0,0,0|1,0,2]=4 821 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [0,1,0,0,0,0|1,0,1]=3 822 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [0,1,0,0,0,0|1,0,1]=3 823 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [0,1,0,0,0,0|2,0,1]=4 824 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [0,1,0,0,0,0|2,0,1]=4 825 B5R0.1 C[C@H](O)CON MCULE-4216605221 [0,1,0,0,0,0|1,0,1]=3 826 B5R0.1 C[C@H](O)CON MCULE-9863094719 [0,1,0,0,0,0|1,0,1]=3 827 B5R0.1 N#CCC(=O)O MCULE-3440765061 [0,1,0,0,0,0|2,0,1]=4 828 B5R0.1 N#CN=C(N)N MCULE-3951314719 [0,1,0,0,0,0|2,0,1]=4 829 B5R0.1 NC(=O)C=NO MCULE-6447662753 [0,1,0,0,0,0|2,0,1]=4 830 B5R0.1 NC(=O)NN=O MCULE-2820469915 [0,1,0,0,0,0|2,0,1]=4 831 B5R0.1 NCC=C(Cl)Cl MCULE-6555955942 [0,1,0,0,0,0|3,0,0]=4 832 B5R0.1 NCC=C(Cl)Cl MCULE-9019653665 [0,1,0,0,0,0|3,0,0]=4 833 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,1,0,0,0,0|2,0,1]=4 834 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,1,0,0,0,0|2,0,1]=4 835 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,1,0,0,0,0|2,0,1]=4 836 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,1,0,0,0,0|2,0,0]=3 837 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,1,0,0,0,0|2,0,0]=3 838 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,1,0,0,0,0|2,0,0]=3 839 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,1,0,0,0,0|2,0,1]=4 840 B5R0.1 NCCP(=O)O MCULE-7093964616 [0,1,0,0,0,0|3,0,0]=4 841 B5R0.1 NCCS(=O)O MCULE-4372248641 [0,1,0,0,0,0|3,0,0]=4 842 B5R0.1 NNCC(=O)N MCULE-2794619708 [0,1,0,0,0,0|1,0,2]=4 843 B5R0.1 NNCC(=O)N MCULE-6773156087 [0,1,0,0,0,0|1,0,2]=4 844 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,1,0,0,0,0|1,0,1]=3 845 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,1,0,0,0,0|1,0,1]=3 846 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,1,0,0,0,0|2,0,0]=3 847 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,1,0,0,0,0|2,0,0]=3 848 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,1,0,0,0,0|2,0,0]=3 849 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [0,1,0,0,0,0|3,0,0]=4 850 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [0,1,0,0,0,0|3,0,0]=4 851 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [0,1,0,0,0,0|3,0,0]=4 852 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [0,1,0,0,0,0|3,0,0]=4 853 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [0,1,0,0,0,0|3,0,0]=4 854 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [0,1,0,0,0,0|3,0,0]=4 855 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [0,1,0,0,0,0|2,0,0]=3 856 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [0,1,0,0,0,0|3,0,0]=4 857 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [0,1,0,0,0,0|3,0,0]=4 858 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [0,1,0,0,0,0|3,0,0]=4 859 B5R0.1 O=C(O)C=CI MCULE-7162332129 [0,1,0,0,0,0|3,0,0]=4 860 B5R0.1 O=C(O)C=NO MCULE-2039309679 [0,1,0,0,0,0|2,0,0]=3 861 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,1,0,0,0,0|3,0,0]=4 862 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,1,0,0,0,0|3,0,0]=4 863 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,1,0,0,0,0|3,0,0]=4 864 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,1,0,0,0,0|3,0,0]=4 865 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,1,0,0,0,0|3,0,0]=4 866 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,1,0,0,0,0|3,0,0]=4 867 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,1,0,0,0,0|2,0,0]=3 868 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [0,1,0,0,0,0|2,0,1]=4 869 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [0,1,0,0,0,0|1,0,1]=3 870 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [0,1,0,0,0,0|1,0,2]=4 871 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [0,1,0,0,0,0|2,0,1]=4 872 B5R0.3 C#CC(=O)CC MCULE-1563732373 [0,1,0,0,0,0|2,0,1]=4 873 B5R0.3 C#CC(=O)NC MCULE-8852565705 [0,1,0,0,0,0|2,0,1]=4 874 B5R0.3 C#CC(=O)OC MCULE-5108326717 [0,1,0,0,0,0|2,0,1]=4 875 B5R0.3 C#CC(C)OC MCULE-3702592933 [0,1,0,0,0,0|2,0,1]=4 876 B5R0.3 C#CC(C)OC MCULE-3806443816 [0,1,0,0,0,0|2,0,1]=4 877 B5R0.3 C#CC(O)CC MCULE-9890863731 [0,1,0,0,0,0|2,0,1]=4 878 B5R0.3 C#C[C@H](C)OC MCULE-9002531152 [0,1,0,0,0,0|2,0,1]=4 879 B5R0.3 C/C(=C\Br)/C#N MCULE-5132213304 [0,1,0,0,0,0|2,0,1]=4 880 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [0,1,0,0,0,0|1,0,1]=3 881 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [0,1,0,0,0,0|3,0,0]=4 882 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [0,1,0,0,0,0|2,0,1]=4 883 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [0,1,0,0,0,0|3,0,0]=4 884 B5R0.3 C/N=C(\N)/SC MCULE-1114021101 [0,1,0,0,0,0|2,0,0]=3 885 B5R0.3 C/N=C(\N)/SC MCULE-4249574209 [0,1,0,0,0,0|2,0,0]=3 886 B5R0.3 C=C(C#N)CBr MCULE-5784758688 [0,1,0,0,0,0|2,0,1]=4 887 B5R0.3 C=C(C#N)CCl MCULE-7893676781 [0,1,0,0,0,0|2,0,1]=4 888 B5R0.3 C=C(C#N)CO MCULE-4330549804 [0,1,0,0,0,0|1,0,2]=4 889 B5R0.3 C=C(C=O)CC MCULE-2875154067 [0,1,0,0,0,0|3,0,0]=4 890 B5R0.3 C=C(CBr)CBr MCULE-2855078657 [0,1,0,0,0,0|3,0,0]=4 891 B5R0.3 C=C(CC)CBr MCULE-1652422688 [0,1,0,0,0,0|3,0,0]=4 892 B5R0.3 C=C(CC)CC MCULE-9174509622 [0,1,0,0,0,0|3,0,0]=4 893 B5R0.3 C=C(CC)CN MCULE-2269385026 [0,1,0,0,0,0|2,0,0]=3 894 B5R0.3 C=C(CC)CN MCULE-3033447984 [0,1,0,0,0,0|2,0,0]=3 895 B5R0.3 C=C(CC)CO MCULE-8127766352 [0,1,0,0,0,0|2,0,1]=4 896 B5R0.3 C=C(CCl)CCl MCULE-2574913289 [0,1,0,0,0,0|3,0,0]=4 897 B5R0.3 C=C(CI)CI MCULE-7592017619 [0,1,0,0,0,0|3,0,0]=4 898 B5R0.3 C=C(CN)CN MCULE-5063132725 [0,1,0,0,0,0|2,0,0]=3 899 B5R0.3 C=C(CO)CBr MCULE-9563589949 [0,1,0,0,0,0|2,0,1]=4 900 B5R0.3 C=C(CO)CO MCULE-2682601949 [0,1,0,0,0,0|2,0,1]=4 901 B5R0.3 C=C(SC)SC MCULE-8497326619 [0,1,0,0,0,0|3,0,0]=4 902 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [0,1,0,0,0,0|3,0,0]=4 903 B5R0.3 C=CC(=CC)C MCULE-8585683674 [0,1,0,0,0,0|3,0,0]=4 904 B5R0.3 C=CC(=O)CC MCULE-7277696617 [0,1,0,0,0,0|2,0,1]=4 905 B5R0.3 C=CC(=O)NC MCULE-5619481947 [0,1,0,0,0,0|2,0,1]=4 906 B5R0.3 C=CC(=O)NN MCULE-4327484127 [0,1,0,0,0,0|0,0,3]=4 907 B5R0.3 C=CC(=O)NN MCULE-4961696321 [0,1,0,0,0,0|0,0,3]=4 908 B5R0.3 C=CC(=O)NO MCULE-9528737042 [0,1,0,0,0,0|3,0,0]=4 909 B5R0.3 C=CC(=O)OC MCULE-6010665978 [0,1,0,0,0,0|2,0,1]=4 910 B5R0.3 C=CC(C)ON MCULE-2385478473 [0,1,0,0,0,0|2,0,1]=4 911 B5R0.3 C=CC(C)ON MCULE-3428023923 [0,1,0,0,0,0|2,0,1]=4 912 B5R0.3 C=CC(O)CBr MCULE-3538023814 [0,1,0,0,0,0|2,0,1]=4 913 B5R0.3 C=CC(O)CC MCULE-2794806228 [0,1,0,0,0,0|2,0,1]=4 914 B5R0.3 C=CC(O)CN MCULE-3472823475 [0,1,0,0,0,0|1,0,2]=4 915 B5R0.3 C=CC(O)CO MCULE-6172654550 [0,1,0,0,0,0|2,0,1]=4 916 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [0,1,0,0,0,0|2,0,1]=4 917 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [0,1,0,0,0,0|2,0,1]=4 918 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [0,1,0,0,0,0|2,0,1]=4 919 B5R0.3 CC(=CBr)C#N MCULE-9263455697 [0,1,0,0,0,0|2,0,1]=4 920 B5R0.3 CC(=CCl)CCl MCULE-2732105685 [0,1,0,0,0,0|3,0,0]=4 921 B5R0.3 CC(=CI)CI MCULE-3347686188 [0,1,0,0,0,0|3,0,0]=4 922 B5R0.3 CC(=CI)CO MCULE-8491569199 [0,1,0,0,0,0|2,0,0]=3 923 B5R0.3 CC(=CN)C=O MCULE-5507488903 [0,1,0,0,0,0|1,0,1]=3 924 B5R0.3 CC(=NO)CS MCULE-9694340512 [0,1,0,0,0,0|1,1,0]=3 925 B5R0.3 CC(C#N)CN MCULE-8151367276 [0,1,0,0,0,0|2,0,1]=4 926 B5R0.3 CC(C#N)CO MCULE-1644391554 [0,1,0,0,0,0|1,0,2]=4 927 B5R0.3 CC(CN)CCl MCULE-2423692318 [0,1,0,0,0,0|2,0,1]=4 928 B5R0.3 CC(CN)CCl MCULE-8419541212 [0,1,0,0,0,0|2,0,1]=4 929 B5R0.3 CC(CN)CN MCULE-1464804013 [0,1,0,0,0,0|2,0,1]=4 930 B5R0.3 CC(CN)CN MCULE-3273307813 [0,1,0,0,0,0|2,0,1]=4 931 B5R0.3 CC(CN)CO MCULE-5880795484 [0,1,0,0,0,0|1,0,1]=3 932 B5R0.3 CC(CN)CO MCULE-8083007887 [0,1,0,0,0,0|1,0,1]=3 933 B5R0.3 CC(CO)CBr MCULE-3815333295 [0,1,0,0,0,0|2,0,1]=4 934 B5R0.3 CC(CO)CBr MCULE-5695891877 [0,1,0,0,0,0|2,0,1]=4 935 B5R0.3 CC(CO)CO MCULE-2340730326 [0,1,0,0,0,0|2,0,1]=4 936 B5R0.3 CC(CO)CS MCULE-1990992504 [0,1,0,0,0,0|2,0,1]=4 937 B5R0.3 CC(CO)NN MCULE-3362748538 [0,1,0,0,0,0|0,0,2]=3 938 B5R0.3 CC(CO)NN MCULE-4440318216 [0,1,0,0,0,0|0,0,2]=3 939 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [0,1,0,0,0,0|2,0,0]=3 940 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [0,1,0,0,0,0|2,0,0]=3 941 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [0,1,0,0,0,0|2,0,0]=3 942 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [0,1,0,0,0,0|3,0,0]=4 943 B5R0.3 CC=C(C)C#N MCULE-4009455127 [0,1,0,0,0,0|2,0,1]=4 944 B5R0.3 CC=C(C)C=O MCULE-9453566957 [0,1,0,0,0,0|2,0,1]=4 945 B5R0.3 CC=C(C)CC MCULE-5790494157 [0,1,0,0,0,0|3,0,0]=4 946 B5R0.3 CC=C(C)CCl MCULE-2444762050 [0,1,0,0,0,0|3,0,0]=4 947 B5R0.3 CCC(=N)OC MCULE-4123543795 [0,1,0,0,0,0|3,0,0]=4 948 B5R0.3 CCC(=N)OC MCULE-5346320805 [0,1,0,0,0,0|3,0,0]=4 949 B5R0.3 CCC(=NO)C MCULE-1859652505 [0,1,0,0,0,0|2,0,0]=3 950 B5R0.3 CCC(=O)CBr MCULE-7825573294 [0,1,0,0,0,0|2,0,1]=4 951 B5R0.3 CCC(=O)CC MCULE-8236549739 [0,1,0,0,0,0|2,0,1]=4 952 B5R0.3 CCC(=O)CCl MCULE-9019890380 [0,1,0,0,0,0|2,0,1]=4 953 B5R0.3 CCC(=O)CN MCULE-1863418812 [0,1,0,0,0,0|1,0,1]=3 954 B5R0.3 CCC(=O)CN MCULE-5831164340 [0,1,0,0,0,0|1,0,1]=3 955 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,1,0,0,0,0|2,0,1]=4 956 B5R0.3 CCC(=O)NC MCULE-5612060170 [0,1,0,0,0,0|1,0,2]=4 957 B5R0.3 CCC(=O)NN MCULE-1803705917 [0,1,0,0,0,0|0,0,2]=3 958 B5R0.3 CCC(=O)NO MCULE-1033164448 [0,1,0,0,0,0|1,0,2]=4 959 B5R0.3 CCC(=O)OC MCULE-7384824725 [0,1,0,0,0,0|2,0,1]=4 960 B5R0.3 CCC(=O)SC MCULE-9712192191 [0,1,0,0,0,0|2,0,1]=4 961 B5R0.3 CCC(C)CN MCULE-2777327284 [0,1,0,0,0,0|2,0,1]=4 962 B5R0.3 CCC(C)CN MCULE-7014901600 [0,1,0,0,0,0|2,0,1]=4 963 B5R0.3 CCC(C)CO MCULE-6521026296 [0,1,0,0,0,0|2,0,1]=4 964 B5R0.3 CCC(C)NN MCULE-6074476998 [0,1,0,0,0,0|1,0,2]=4 965 B5R0.3 CCC(C)NN MCULE-8130021960 [0,1,0,0,0,0|1,0,2]=4 966 B5R0.3 CCC(C)NN MCULE-8519369369 [0,1,0,0,0,0|1,0,2]=4 967 B5R0.3 CCC(C)NO MCULE-1247092627 [0,1,0,0,0,0|2,0,1]=4 968 B5R0.3 CCC(C)NO MCULE-6169819668 [0,1,0,0,0,0|2,0,1]=4 969 B5R0.3 CCC(C)OC MCULE-7354431606 [0,1,0,0,0,0|2,0,1]=4 970 B5R0.3 CCC(C)ON MCULE-2907890438 [0,1,0,0,0,0|2,0,1]=4 971 B5R0.3 CCC(C)ON MCULE-4364205813 [0,1,0,0,0,0|2,0,1]=4 972 B5R0.3 CCC(F)CN MCULE-1291385596 [0,1,0,0,0,0|2,0,1]=4 973 B5R0.3 CCC(F)CN MCULE-7421331323 [0,1,0,0,0,0|2,0,1]=4 974 B5R0.3 CCC(N)CN MCULE-6911484065 [0,1,0,0,0,0|2,0,1]=4 975 B5R0.3 CCC(N)CN MCULE-8376506697 [0,1,0,0,0,0|2,0,1]=4 976 B5R0.3 CCC(O)C#N MCULE-5389816542 [0,1,0,0,0,0|1,0,2]=4 977 B5R0.3 CCC(O)CBr MCULE-4205031860 [0,1,0,0,0,0|2,0,1]=4 978 B5R0.3 CCC(O)CC MCULE-5553645045 [0,1,0,0,0,0|2,0,1]=4 979 B5R0.3 CCC(O)CCl MCULE-8359810208 [0,1,0,0,0,0|2,0,1]=4 980 B5R0.3 CCC(O)CN MCULE-5197026448 [0,1,0,0,0,0|1,0,1]=3 981 B5R0.3 CCC(O)CO MCULE-2488753438 [0,1,0,0,0,0|2,0,1]=4 982 B5R0.3 CCC(O)CO MCULE-7297282094 [0,1,0,0,0,0|2,0,1]=4 983 B5R0.3 CCN(O)CC MCULE-6022935768 [0,1,0,0,0,0|3,0,0]=4 984 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [0,1,0,0,0,0|2,0,1]=4 985 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [0,1,0,0,0,0|2,0,1]=4 986 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [0,1,0,0,0,0|2,0,1]=4 987 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [0,1,0,0,0,0|1,0,1]=3 988 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [0,1,0,0,0,0|1,0,1]=3 989 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [0,1,0,0,0,0|2,0,1]=4 990 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [0,1,0,0,0,0|2,0,1]=4 991 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [0,1,0,0,0,0|2,0,1]=4 992 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [0,1,0,0,0,0|2,0,1]=4 993 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [0,1,0,0,0,0|2,0,1]=4 994 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [0,1,0,0,0,0|2,0,1]=4 995 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [0,1,0,0,0,0|2,0,1]=4 996 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [0,1,0,0,0,0|2,0,1]=4 997 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [0,1,0,0,0,0|1,0,1]=3 998 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [0,1,0,0,0,0|2,0,1]=4 999 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [0,1,0,0,0,0|2,0,1]=4 1000 B5R0.3 CNC(=N)CO MCULE-3239749882 [0,1,0,0,0,0|2,0,1]=4 1001 B5R0.3 CNC(=N)NC MCULE-7703075263 [0,1,0,0,0,0|2,0,1]=4 1002 B5R0.3 CNC(=N)NN MCULE-4836793349 [0,1,0,0,0,0|1,0,1]=3 1003 B5R0.3 CNC(=N)NN MCULE-5998297944 [0,1,0,0,0,0|1,0,1]=3 1004 B5R0.3 CNC(=O)CBr MCULE-1439209307 [0,1,0,0,0,0|1,0,2]=4 1005 B5R0.3 CNC(=O)CCl MCULE-1437904095 [0,1,0,0,0,0|1,0,2]=4 1006 B5R0.3 CNC(=O)CI MCULE-1687694185 [0,1,0,0,0,0|1,0,2]=4 1007 B5R0.3 CNC(=O)CN MCULE-1901033297 [0,1,0,0,0,0|1,0,1]=3 1008 B5R0.3 CNC(=O)CN MCULE-8532774234 [0,1,0,0,0,0|1,0,1]=3 1009 B5R0.3 CNC(=O)CO MCULE-5899226107 [0,1,0,0,0,0|1,0,2]=4 1010 B5R0.3 CNC(=O)CS MCULE-7032391129 [0,1,0,0,0,0|1,0,2]=4 1011 B5R0.3 CNC(=O)NC MCULE-5319497155 [0,1,0,0,0,0|1,0,2]=4 1012 B5R0.3 CNC(=O)NN MCULE-2093843774 [0,1,0,0,0,0|0,0,2]=3 1013 B5R0.3 CNC(=O)OC MCULE-1162861376 [0,1,0,0,0,0|1,0,2]=4 1014 B5R0.3 CNC(=S)NC MCULE-7998520647 [0,1,0,0,0,0|1,1,1]=4 1015 B5R0.3 CNC(=S)NN MCULE-3762018607 [0,1,0,0,0,0|0,1,1]=3 1016 B5R0.3 CNC(C)CN MCULE-1599162912 [0,1,0,0,0,0|2,0,1]=4 1017 B5R0.3 CNC(C)CN MCULE-1637391260 [0,1,0,0,0,0|2,0,1]=4 1018 B5R0.3 CNC(C)CO MCULE-3841057780 [0,1,0,0,0,0|1,0,2]=4 1019 B5R0.3 CNC(C)CO MCULE-6474892275 [0,1,0,0,0,0|1,0,2]=4 1020 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [0,1,0,0,0,0|1,0,2]=4 1021 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [0,1,0,0,0,0|1,0,2]=4 1022 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [0,1,0,0,0,0|1,0,2]=4 1023 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [0,1,0,0,0,0|1,0,2]=4 1024 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [0,1,0,0,0,0|1,0,2]=4 1025 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [0,1,0,0,0,0|1,0,2]=4 1026 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [0,1,0,0,0,0|1,0,2]=4 1027 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [0,1,0,0,0,0|1,0,2]=4 1028 B5R0.3 COC(=N)CCl MCULE-2713131753 [0,1,0,0,0,0|3,0,0]=4 1029 B5R0.3 COC(=N)CCl MCULE-6471252676 [0,1,0,0,0,0|3,0,0]=4 1030 B5R0.3 COC(=O)C#N MCULE-8762838190 [0,1,0,0,0,0|1,0,2]=4 1031 B5R0.3 COC(=O)C=O MCULE-2685327079 [0,1,0,0,0,0|2,0,1]=4 1032 B5R0.3 COC(=O)CBr MCULE-2684954408 [0,1,0,0,0,0|2,0,1]=4 1033 B5R0.3 COC(=O)CCl MCULE-5886832940 [0,1,0,0,0,0|2,0,1]=4 1034 B5R0.3 COC(=O)CF MCULE-4367430175 [0,1,0,0,0,0|2,0,1]=4 1035 B5R0.3 COC(=O)CI MCULE-9545584156 [0,1,0,0,0,0|2,0,1]=4 1036 B5R0.3 COC(=O)CN MCULE-7462799100 [0,1,0,0,0,0|1,0,1]=3 1037 B5R0.3 COC(=O)CN MCULE-8887061469 [0,1,0,0,0,0|1,0,1]=3 1038 B5R0.3 COC(=O)CO MCULE-8734582763 [0,1,0,0,0,0|2,0,1]=4 1039 B5R0.3 COC(=O)CS MCULE-3020830180 [0,1,0,0,0,0|2,0,1]=4 1040 B5R0.3 COC(=O)NN MCULE-2637794839 [0,1,0,0,0,0|0,0,2]=3 1041 B5R0.3 COC(=O)OC MCULE-7488725621 [0,1,0,0,0,0|2,0,1]=4 1042 B5R0.3 COC(=O)SCl MCULE-1018411491 [0,1,0,0,0,0|2,0,1]=4 1043 B5R0.3 COC(=S)NN MCULE-8717505617 [0,1,0,0,0,0|0,1,1]=3 1044 B5R0.3 COC(=S)SC MCULE-7665194168 [0,1,0,0,0,0|2,1,0]=4 1045 B5R0.3 COC(C)C#N MCULE-7716445717 [0,1,0,0,0,0|1,0,2]=4 1046 B5R0.3 COC(C)CBr MCULE-6831960550 [0,1,0,0,0,0|2,0,1]=4 1047 B5R0.3 COC(C)CCl MCULE-6614968111 [0,1,0,0,0,0|2,0,1]=4 1048 B5R0.3 COC(C)CI MCULE-9561627722 [0,1,0,0,0,0|2,0,1]=4 1049 B5R0.3 COC(C)CN MCULE-1378513525 [0,1,0,0,0,0|1,0,1]=3 1050 B5R0.3 COC(C)CN MCULE-6114730248 [0,1,0,0,0,0|1,0,1]=3 1051 B5R0.3 COC(C)CN MCULE-7516064224 [0,1,0,0,0,0|1,0,1]=3 1052 B5R0.3 COC(C)CN MCULE-8277408054 [0,1,0,0,0,0|1,0,1]=3 1053 B5R0.3 COC(C)CO MCULE-5269990702 [0,1,0,0,0,0|2,0,1]=4 1054 B5R0.3 COC(C)CO MCULE-7173093332 [0,1,0,0,0,0|2,0,1]=4 1055 B5R0.3 COC(C)OC MCULE-8241616143 [0,1,0,0,0,0|2,0,1]=4 1056 B5R0.3 CON(C)C=O MCULE-6743121315 [0,1,0,0,0,0|3,0,0]=4 1057 B5R0.3 CO[C@@H](C)C#N MCULE-1453263443 [0,1,0,0,0,0|1,0,2]=4 1058 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [0,1,0,0,0,0|1,0,1]=3 1059 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [0,1,0,0,0,0|1,0,1]=3 1060 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [0,1,0,0,0,0|1,0,1]=3 1061 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [0,1,0,0,0,0|1,0,1]=3 1062 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [0,1,0,0,0,0|2,0,1]=4 1063 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [0,1,0,0,0,0|2,0,1]=4 1064 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [0,1,0,0,0,0|1,0,1]=3 1065 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [0,1,0,0,0,0|1,0,1]=3 1066 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [0,1,0,0,0,0|1,0,1]=3 1067 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [0,1,0,0,0,0|1,0,1]=3 1068 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [0,1,0,0,0,0|2,0,1]=4 1069 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [0,1,0,0,0,0|2,0,1]=4 1070 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [0,1,0,0,0,0|1,1,0]=3 1071 B5R0.3 CS/C(=N\N)/N MCULE-2245524081 [0,1,0,0,0,0|1,0,0]=2 1072 B5R0.3 CS/C(=N\N)/N MCULE-6241847719 [0,1,0,0,0,0|1,0,0]=2 1073 B5R0.3 CSC(=NO)C MCULE-1500524467 [0,1,0,0,0,0|1,1,0]=3 1074 B5R0.3 CSC(=O)SC MCULE-7167992573 [0,1,0,0,0,0|2,0,1]=4 1075 B5R0.3 CSC(=S)NN MCULE-2798461411 [0,1,0,0,0,0|0,1,1]=3 1076 B5R0.3 CSC(=S)SC MCULE-5023087703 [0,1,0,0,0,0|2,1,0]=4 1077 B5R0.3 CSC(C)CN MCULE-8841622109 [0,1,0,0,0,0|1,1,1]=4 1078 B5R0.3 CSC(C)CO MCULE-4646435737 [0,1,0,0,0,0|2,0,1]=4 1079 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [0,1,0,0,0,0|1,0,1]=3 1080 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [0,1,0,0,0,0|1,0,1]=3 1081 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [0,1,0,0,0,0|2,0,1]=4 1082 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [0,1,0,0,0,0|2,0,1]=4 1083 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [0,1,0,0,0,0|2,0,1]=4 1084 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [0,1,0,0,0,0|2,0,1]=4 1085 B5R0.3 Cl/C=C(\Cl)/CCl MCULE-8945457634 [0,1,0,0,0,0|3,0,0]=4 1086 B5R0.3 ClC=C(Cl)CCl MCULE-5187224514 [0,1,0,0,0,0|3,0,0]=4 1087 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [0,1,0,0,0,0|2,0,0]=3 1088 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [0,1,0,0,0,0|2,0,0]=3 1089 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [0,1,0,0,0,0|2,0,0]=3 1090 B5R0.3 N=C(NN)NN MCULE-6449982700 [0,1,0,0,0,0|2,0,1]=4 1091 B5R0.3 N=C(NN)NN MCULE-8241596253 [0,1,0,0,0,0|2,0,1]=4 1092 B5R0.3 N=C(NN)NO MCULE-6419110297 [0,1,0,0,0,0|1,0,1]=3 1093 B5R0.3 NCC(=O)CN MCULE-2420991481 [0,1,0,0,0,0|1,0,1]=3 1094 B5R0.3 NCC(=O)CN MCULE-8626789745 [0,1,0,0,0,0|1,0,1]=3 1095 B5R0.3 NCC(=O)NN MCULE-2318099199 [0,1,0,0,0,0|0,0,2]=3 1096 B5R0.3 NCC(=O)NN MCULE-3392354502 [0,1,0,0,0,0|0,0,2]=3 1097 B5R0.3 NCC(=O)NO MCULE-5417617455 [0,1,0,0,0,0|2,0,0]=3 1098 B5R0.3 NCC(Br)CBr MCULE-4507622045 [0,1,0,0,0,0|2,0,1]=4 1099 B5R0.3 NCC(Br)CBr MCULE-9707598399 [0,1,0,0,0,0|2,0,1]=4 1100 B5R0.3 NCC(F)CN MCULE-8855486562 [0,1,0,0,0,0|2,0,1]=4 1101 B5R0.3 NCC(F)CO MCULE-6156319956 [0,1,0,0,0,0|2,0,1]=4 1102 B5R0.3 NCC(F)CO MCULE-7472307328 [0,1,0,0,0,0|2,0,1]=4 1103 B5R0.3 NCC(O)CCl MCULE-1566349721 [0,1,0,0,0,0|1,0,1]=3 1104 B5R0.3 NCC(O)CCl MCULE-3532626994 [0,1,0,0,0,0|1,0,1]=3 1105 B5R0.3 NCC(O)CCl MCULE-5045913208 [0,1,0,0,0,0|1,0,1]=3 1106 B5R0.3 NCC(O)CCl MCULE-7168455596 [0,1,0,0,0,0|1,0,1]=3 1107 B5R0.3 NCC(O)CF MCULE-7529777116 [0,1,0,0,0,0|1,0,1]=3 1108 B5R0.3 NCC(O)CF MCULE-8092861019 [0,1,0,0,0,0|1,0,1]=3 1109 B5R0.3 NCC(O)CN MCULE-4689186078 [0,1,0,0,0,0|1,0,1]=3 1110 B5R0.3 NCC(O)CO MCULE-2689763818 [0,1,0,0,0,0|1,0,1]=3 1111 B5R0.3 NCC(O)CO MCULE-6096620010 [0,1,0,0,0,0|1,0,1]=3 1112 B5R0.3 NCC(O)CO MCULE-7307777212 [0,1,0,0,0,0|1,0,1]=3 1113 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [0,1,0,0,0,0|2,0,1]=4 1114 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [0,1,0,0,0,0|2,0,1]=4 1115 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [0,1,0,0,0,0|2,0,1]=4 1116 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [0,1,0,0,0,0|2,0,1]=4 1117 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [0,1,0,0,0,0|1,0,1]=3 1118 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [0,1,0,0,0,0|1,0,1]=3 1119 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [0,1,0,0,0,0|1,0,1]=3 1120 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [0,1,0,0,0,0|1,0,1]=3 1121 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [0,1,0,0,0,0|1,0,1]=3 1122 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [0,1,0,0,0,0|1,0,1]=3 1123 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [0,1,0,0,0,0|1,0,1]=3 1124 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [0,1,0,0,0,0|2,0,1]=4 1125 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [0,1,0,0,0,0|2,0,1]=4 1126 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [0,1,0,0,0,0|2,0,1]=4 1127 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [0,1,0,0,0,0|2,0,1]=4 1128 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [0,1,0,0,0,0|2,0,1]=4 1129 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [0,1,0,0,0,0|1,0,1]=3 1130 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [0,1,0,0,0,0|1,0,1]=3 1131 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [0,1,0,0,0,0|1,0,1]=3 1132 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [0,1,0,0,0,0|1,0,1]=3 1133 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [0,1,0,0,0,0|1,0,1]=3 1134 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [0,1,0,0,0,0|1,0,1]=3 1135 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [0,1,0,0,0,0|1,0,1]=3 1136 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [0,1,0,0,0,0|1,0,1]=3 1137 B5R0.3 NNC(=O)CCl MCULE-2158347473 [0,1,0,0,0,0|0,0,2]=3 1138 B5R0.3 NNC(=O)CCl MCULE-9762553206 [0,1,0,0,0,0|0,0,2]=3 1139 B5R0.3 NNC(=O)CO MCULE-8443636349 [0,1,0,0,0,0|0,0,2]=3 1140 B5R0.3 NNC(=O)CS MCULE-4913925166 [0,1,0,0,0,0|0,0,2]=3 1141 B5R0.3 NNC(=O)NN MCULE-8522412568 [0,1,0,0,0,0|1,0,2]=4 1142 B5R0.3 NNC(=O)NO MCULE-7106168898 [0,1,0,0,0,0|1,0,1]=3 1143 B5R0.3 NNC(=S)NN MCULE-1599893212 [0,1,0,0,0,0|1,1,1]=4 1144 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [0,1,0,0,0,0|2,0,1]=4 1145 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [0,1,0,0,0,0|2,0,1]=4 1146 B5R0.3 O=C(CF)CF MCULE-8790300272 [0,1,0,0,0,0|2,0,1]=4 1147 B5R0.3 O=C(CO)CO MCULE-7188810449 [0,1,0,0,0,0|2,0,1]=4 1148 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [0,1,0,0,0,0|3,0,0]=4 1149 B5R0.3 O=CC(=O)CO MCULE-7273475675 [0,1,0,0,0,0|2,0,1]=4 1150 B5R0.3 O=CC(O)CO MCULE-9581740191 [0,1,0,0,0,0|2,0,1]=4 1151 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [0,1,0,0,0,0|2,0,1]=4 1152 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [0,1,0,0,0,0|2,0,1]=4 1153 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [0,1,0,0,0,0|2,0,1]=4 1154 B5R0.3 OC(CBr)CBr MCULE-9071238259 [0,1,0,0,0,0|2,0,1]=4 1155 B5R0.3 OC(CCl)CBr MCULE-3844020597 [0,1,0,0,0,0|2,0,1]=4 1156 B5R0.3 OC(CCl)CCl MCULE-7873018520 [0,1,0,0,0,0|2,0,1]=4 1157 B5R0.3 OC(CCl)CI MCULE-3276637880 [0,1,0,0,0,0|2,0,1]=4 1158 B5R0.3 OC(CF)CBr MCULE-3915880352 [0,1,0,0,0,0|2,0,1]=4 1159 B5R0.3 OC(CF)CCl MCULE-6441743377 [0,1,0,0,0,0|2,0,1]=4 1160 B5R0.3 OC(CF)CF MCULE-3360341794 [0,1,0,0,0,0|2,0,1]=4 1161 B5R0.3 OC(CI)CI MCULE-6842895270 [0,1,0,0,0,0|2,0,1]=4 1162 B5R0.3 OCC(O)CBr MCULE-9116190245 [0,1,0,0,0,0|2,0,1]=4 1163 B5R0.3 OCC(O)CCl MCULE-7895191088 [0,1,0,0,0,0|2,0,1]=4 1164 B5R0.3 OCC(O)CCl MCULE-8992242488 [0,1,0,0,0,0|2,0,1]=4 1165 B5R0.3 OCC(O)CF MCULE-3575952891 [0,1,0,0,0,0|2,0,1]=4 1166 B5R0.3 OCC(O)CF MCULE-8981430411 [0,1,0,0,0,0|2,0,1]=4 1167 B5R0.3 OCC(O)CI MCULE-6705992930 [0,1,0,0,0,0|2,0,1]=4 1168 B5R0.3 OCC(O)CO MCULE-6349111826 [0,1,0,0,0,0|2,0,1]=4 1169 B5R0.3 OCC(O)CS MCULE-6300188207 [0,1,0,0,0,0|2,0,1]=4 1170 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [0,1,0,0,0,0|2,0,1]=4 1171 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [0,1,0,0,0,0|2,0,1]=4 1172 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [0,1,0,0,0,0|2,0,1]=4 1173 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [0,1,0,0,0,0|2,0,1]=4 1174 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [0,1,0,0,0,0|2,0,1]=4 1175 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [0,1,0,0,0,0|2,0,1]=4 1176 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [0,1,0,0,0,0|2,0,1]=4 1177 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [0,1,0,0,0,0|2,0,1]=4 1178 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [0,1,0,0,0,0|2,0,1]=4 1179 B5R0.3 O[C@@H](CCl)CI MCULE-5324720097 [0,1,0,0,0,0|2,0,1]=4 1180 B5R0.3 O[C@H](CCl)CI MCULE-2790157830 [0,1,0,0,0,0|2,0,1]=4 1181 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [0,1,0,0,0,0|1,0,1]=3 1182 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [0,1,0,0,0,0|1,0,1]=3 1183 B5R0.3 [NH2+]=C(NN)NN MCULE-1481511174 [0,1,0,0,0,0|2,0,1]=4 1184 B5R0.4 C#CC(C)(C)O MCULE-7045265182 [0,1,0,0,0,0|2,0,1]=4 1185 B5R0.4 C=CC(C)(C)O MCULE-5809739830 [0,1,0,0,0,0|2,0,1]=4 1186 B5R0.4 CC(C)(Br)CN MCULE-3220115637 [0,1,0,0,0,0|2,0,1]=4 1187 B5R0.4 CC(C)(Br)CN MCULE-3391853433 [0,1,0,0,0,0|2,0,1]=4 1188 B5R0.4 CC(C)(Br)CN MCULE-3819869078 [0,1,0,0,0,0|2,0,1]=4 1189 B5R0.4 CC(C)(C)CN MCULE-1062894260 [0,1,0,0,0,0|2,0,1]=4 1190 B5R0.4 CC(C)(C)CN MCULE-2736289460 [0,1,0,0,0,0|2,0,1]=4 1191 B5R0.4 CC(C)(C)CN MCULE-5919012916 [0,1,0,0,0,0|2,0,1]=4 1192 B5R0.4 CC(C)(C)CN MCULE-6772338754 [0,1,0,0,0,0|2,0,1]=4 1193 B5R0.4 CC(C)(C)CN MCULE-8882959753 [0,1,0,0,0,0|2,0,1]=4 1194 B5R0.4 CC(C)(C)N=O MCULE-9098145731 [0,1,0,0,0,0|2,0,1]=4 1195 B5R0.4 CC(C)(C)NN MCULE-5464543607 [0,1,0,0,0,0|1,0,2]=4 1196 B5R0.4 CC(C)(C)NN MCULE-7962318499 [0,1,0,0,0,0|1,0,2]=4 1197 B5R0.4 CC(C)(C)ON MCULE-4114810129 [0,1,0,0,0,0|2,0,1]=4 1198 B5R0.4 CC(C)(C)ON MCULE-8439583419 [0,1,0,0,0,0|2,0,1]=4 1199 B5R0.4 CC(C)(F)CN MCULE-3150098249 [0,1,0,0,0,0|2,0,1]=4 1200 B5R0.4 CC(C)(F)CN MCULE-8647719519 [0,1,0,0,0,0|2,0,1]=4 1201 B5R0.4 CC(C)(N)CN MCULE-4218187677 [0,1,0,0,0,0|2,0,1]=4 1202 B5R0.4 CC(C)(N)CN MCULE-6476068080 [0,1,0,0,0,0|2,0,1]=4 1203 B5R0.4 CC(C)(O)C#N MCULE-7494613383 [0,1,0,0,0,0|1,0,2]=4 1204 B5R0.4 CC(C)(O)C=O MCULE-2581637282 [0,1,0,0,0,0|2,0,1]=4 1205 B5R0.4 CC(C)(O)CBr MCULE-6366129174 [0,1,0,0,0,0|2,0,1]=4 1206 B5R0.4 CC(C)(O)CCl MCULE-3118028441 [0,1,0,0,0,0|2,0,1]=4 1207 B5R0.4 CC(C)(O)CF MCULE-6616447132 [0,1,0,0,0,0|2,0,1]=4 1208 B5R0.4 CC(C)(O)CI MCULE-5132198363 [0,1,0,0,0,0|2,0,1]=4 1209 B5R0.4 CC(C)(O)CN MCULE-5270413077 [0,1,0,0,0,0|1,0,1]=3 1210 B5R0.4 CC(C)(O)CN MCULE-7438555366 [0,1,0,0,0,0|1,0,1]=3 1211 B5R0.4 CC(C)(O)CO MCULE-6797456030 [0,1,0,0,0,0|2,0,1]=4 1212 B5R0.4 CC(C)(O)CS MCULE-2370088388 [0,1,0,0,0,0|2,0,1]=4 1213 B5R0.4 CC(C)(S)CN MCULE-4256015369 [0,1,0,0,0,0|1,1,1]=4 1214 B5R0.4 CC(C)(S)CN MCULE-8836856580 [0,1,0,0,0,0|1,1,1]=4 1215 B5R0.4 CC(F)(F)CN MCULE-5449109500 [0,1,0,0,0,0|2,0,1]=4 1216 B5R0.4 CC(F)(F)CN MCULE-9330314243 [0,1,0,0,0,0|2,0,1]=4 1217 B5R0.4 CCC(C)(C)O MCULE-7894262803 [0,1,0,0,0,0|2,0,1]=4 1218 B5R0.4 CS(=O)(=O)NN MCULE-9882253848 [0,1,0,0,0,0|1,0,2]=4 1219 B5R0.4 CS(=O)(=O)ON MCULE-7541219823 [0,1,0,0,0,0|2,0,1]=4 1220 B5R0.4 C[Si](C)(C)CN MCULE-1731145216 [0,1,0,0,0,0|2,1,0]=4 1221 B5R0.4 C[Si](C)(C)ON MCULE-6539782748 [0,1,0,0,0,0|2,1,0]=4 1222 B5R0.4 NCP(=O)(O)O MCULE-5036947233 [0,1,0,0,0,0|3,0,0]=4 1223 B5R0.4 NCS(=O)(=O)O MCULE-2178285528 [0,1,0,0,0,0|3,0,0]=4 1224 B5R0.4 NOS(=O)(=O)O MCULE-4655259886 [0,1,0,0,0,0|3,0,0]=4 1225 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,1,0,0,0,0|3,0,0]=4 1226 B5R0.5 C=C(C)B(O)O MCULE-1381151629 [0,1,0,0,0,0|3,0,0]=4 1227 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [0,1,0,0,0,0|3,0,0]=4 1228 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,1,0,0,0,0|2,0,1]=4 1229 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,1,0,0,0,0|3,0,0]=4 1230 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,1,0,0,0,0|2,0,0]=3 1231 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,1,0,0,0,0|3,0,0]=4 1232 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,1,0,0,0,0|3,0,0]=4 1233 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,1,0,0,0,0|3,0,0]=4 1234 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,1,0,0,0,0|3,0,0]=4 1235 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [0,1,0,0,0,0|3,0,0]=4 1236 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [0,1,0,0,0,0|3,0,0]=4 1237 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,1,0,0,0,0|2,0,1]=4 1238 B5R0.5 C=C(C)C(Cl)Cl MCULE-4460311331 [0,1,0,0,0,0|3,0,0]=4 1239 B5R0.5 C=C(C)C(Cl)Cl MCULE-5923487420 [0,1,0,0,0,0|3,0,0]=4 1240 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,1,0,0,0,0|3,0,0]=4 1241 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,1,0,0,0,0|3,0,0]=4 1242 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [0,1,0,0,0,0|3,0,0]=4 1243 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [0,1,0,0,0,0|3,0,0]=4 1244 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,1,0,0,0,0|2,0,1]=4 1245 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,1,0,0,0,0|2,0,1]=4 1246 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,1,0,0,0,0|1,0,1]=3 1247 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,1,0,0,0,0|2,0,1]=4 1248 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,1,0,0,0,0|2,0,1]=4 1249 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,1,0,0,0,0|2,0,1]=4 1250 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,1,0,0,0,0|2,0,1]=4 1251 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,1,0,0,0,0|1,0,1]=3 1252 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,1,0,0,0,0|2,0,1]=4 1253 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,1,0,0,0,0|2,0,1]=4 1254 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,1,0,0,0,0|2,0,1]=4 1255 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,1,0,0,0,0|2,0,1]=4 1256 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,1,0,0,0,0|1,0,1]=3 1257 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,1,0,0,0,0|1,0,1]=3 1258 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,1,0,0,0,0|2,0,1]=4 1259 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,1,0,0,0,0|2,0,1]=4 1260 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [0,1,0,0,0,0|2,0,1]=4 1261 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [0,1,0,0,0,0|2,0,1]=4 1262 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,1,0,0,0,0|1,0,2]=4 1263 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,1,0,0,0,0|0,0,2]=3 1264 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,1,0,0,0,0|1,0,1]=3 1265 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,1,0,0,0,0|1,0,1]=3 1266 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,1,0,0,0,0|1,0,1]=3 1267 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,1,0,0,0,0|1,0,1]=3 1268 B5R0.5 CC(=S)N(C)C MCULE-6797990305 [0,1,0,0,0,0|1,1,1]=4 1269 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,1,0,0,0,0|2,0,1]=4 1270 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,1,0,0,0,0|3,0,0]=4 1271 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,1,0,0,0,0|3,0,0]=4 1272 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [0,1,0,0,0,0|2,0,1]=4 1273 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [0,1,0,0,0,0|2,0,1]=4 1274 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,1,0,0,0,0|2,0,1]=4 1275 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,1,0,0,0,0|3,0,0]=4 1276 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [0,1,0,0,0,0|2,0,1]=4 1277 B5R0.5 CC(C)C(C)N MCULE-1630754475 [0,1,0,0,0,0|2,0,1]=4 1278 B5R0.5 CC(C)C(C)N MCULE-1801901816 [0,1,0,0,0,0|2,0,1]=4 1279 B5R0.5 CC(C)C(C)N MCULE-3544463874 [0,1,0,0,0,0|2,0,1]=4 1280 B5R0.5 CC(C)C(C)N MCULE-4774844065 [0,1,0,0,0,0|2,0,1]=4 1281 B5R0.5 CC(C)C(C)O MCULE-4829392845 [0,1,0,0,0,0|2,0,1]=4 1282 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [0,1,0,0,0,0|2,0,1]=4 1283 B5R0.5 CC(C)[C@@H](C)N MCULE-1953734886 [0,1,0,0,0,0|2,0,1]=4 1284 B5R0.5 CC(C)[C@@H](C)N MCULE-3105334197 [0,1,0,0,0,0|2,0,1]=4 1285 B5R0.5 CC(C)[C@@H](C)N MCULE-9470429569 [0,1,0,0,0,0|2,0,1]=4 1286 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [0,1,0,0,0,0|2,0,1]=4 1287 B5R0.5 CC(C)[C@H](C)N MCULE-2859174363 [0,1,0,0,0,0|2,0,1]=4 1288 B5R0.5 CC(C)[C@H](C)N MCULE-3034457659 [0,1,0,0,0,0|2,0,1]=4 1289 B5R0.5 CC(C)[C@H](C)N MCULE-5904658917 [0,1,0,0,0,0|2,0,1]=4 1290 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [0,1,0,0,0,0|2,0,1]=4 1291 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [0,1,0,0,0,0|2,0,1]=4 1292 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [0,1,0,0,0,0|2,0,1]=4 1293 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [0,1,0,0,0,0|2,0,1]=4 1294 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,1,0,0,0,0|2,0,1]=4 1295 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,1,0,0,0,0|3,0,0]=4 1296 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,1,0,0,0,0|3,0,0]=4 1297 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,1,0,0,0,0|3,0,0]=4 1298 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,1,0,0,0,0|2,0,1]=4 1299 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,1,0,0,0,0|2,0,1]=4 1300 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,1,0,0,0,0|2,0,1]=4 1301 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,1,0,0,0,0|2,0,1]=4 1302 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,1,0,0,0,0|2,0,1]=4 1303 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,1,0,0,0,0|2,0,1]=4 1304 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,1,0,0,0,0|2,0,1]=4 1305 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,1,0,0,0,0|2,0,0]=3 1306 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,1,0,0,0,0|2,0,0]=3 1307 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,1,0,0,0,0|2,0,0]=3 1308 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,1,0,0,0,0|2,0,0]=3 1309 B5R0.5 CC(N)C(C)N MCULE-6724099648 [0,1,0,0,0,0|2,0,1]=4 1310 B5R0.5 CC(N)C(C)O MCULE-3512899672 [0,1,0,0,0,0|1,0,1]=3 1311 B5R0.5 CC(N)C(C)O MCULE-6286987696 [0,1,0,0,0,0|1,0,1]=3 1312 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,1,0,0,0,0|1,0,1]=3 1313 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,1,0,0,0,0|1,0,1]=3 1314 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,1,0,0,0,0|1,0,1]=3 1315 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,1,0,0,0,0|1,0,1]=3 1316 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,1,0,0,0,0|2,0,1]=4 1317 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,1,0,0,0,0|2,0,1]=4 1318 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,1,0,0,0,0|2,0,1]=4 1319 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,1,0,0,0,0|2,0,1]=4 1320 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,1,0,0,0,0|2,0,1]=4 1321 B5R0.5 CC(O)C(C)Br MCULE-1140424623 [0,1,0,0,0,0|2,0,1]=4 1322 B5R0.5 CC(O)C(C)Cl MCULE-3352632568 [0,1,0,0,0,0|2,0,1]=4 1323 B5R0.5 CC(O)C(C)O MCULE-2858785316 [0,1,0,0,0,0|2,0,1]=4 1324 B5R0.5 CC(O)C(C)S MCULE-3741743569 [0,1,0,0,0,0|2,0,1]=4 1325 B5R0.5 CC(O)C(F)F MCULE-1258374037 [0,1,0,0,0,0|2,0,1]=4 1326 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,1,0,0,0,0|1,1,1]=4 1327 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,1,0,0,0,0|3,0,0]=4 1328 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [0,1,0,0,0,0|3,0,0]=4 1329 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [0,1,0,0,0,0|3,0,0]=4 1330 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [0,1,0,0,0,0|3,0,0]=4 1331 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [0,1,0,0,0,0|3,0,0]=4 1332 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,1,0,0,0,0|3,0,0]=4 1333 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,1,0,0,0,0|2,0,1]=4 1334 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [0,1,0,0,0,0|3,0,0]=4 1335 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,1,0,0,0,0|1,0,2]=4 1336 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [0,1,0,0,0,0|1,1,1]=4 1337 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,1,0,0,0,0|3,0,0]=4 1338 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,1,0,0,0,0|3,0,0]=4 1339 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,1,0,0,0,0|3,0,0]=4 1340 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,1,0,0,0,0|3,0,0]=4 1341 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,1,0,0,0,0|2,0,1]=4 1342 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,1,0,0,0,0|2,0,1]=4 1343 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,1,0,0,0,0|2,0,1]=4 1344 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,1,0,0,0,0|2,0,1]=4 1345 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,1,0,0,0,0|2,0,1]=4 1346 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,1,0,0,0,0|2,0,0]=3 1347 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,1,0,0,0,0|2,0,0]=3 1348 B5R0.5 C[C@@H](N)[C@@H](C)N MCULE-5194916344 [0,1,0,0,0,0|2,0,1]=4 1349 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [0,1,0,0,0,0|1,0,1]=3 1350 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [0,1,0,0,0,0|1,0,1]=3 1351 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [0,1,0,0,0,0|1,0,1]=3 1352 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [0,1,0,0,0,0|1,0,1]=3 1353 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [0,1,0,0,0,0|1,0,1]=3 1354 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,1,0,0,0,0|1,0,1]=3 1355 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,1,0,0,0,0|1,0,1]=3 1356 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,1,0,0,0,0|1,0,1]=3 1357 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,1,0,0,0,0|1,0,1]=3 1358 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,1,0,0,0,0|1,0,1]=3 1359 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,1,0,0,0,0|1,0,1]=3 1360 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,1,0,0,0,0|2,0,1]=4 1361 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,1,0,0,0,0|2,0,1]=4 1362 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,1,0,0,0,0|2,0,1]=4 1363 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,1,0,0,0,0|2,0,1]=4 1364 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,1,0,0,0,0|2,0,1]=4 1365 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [0,1,0,0,0,0|2,0,1]=4 1366 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [0,1,0,0,0,0|2,0,1]=4 1367 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [0,1,0,0,0,0|2,0,1]=4 1368 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,1,0,0,0,0|3,0,0]=4 1369 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,1,0,0,0,0|3,0,0]=4 1370 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,1,0,0,0,0|3,0,0]=4 1371 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,1,0,0,0,0|3,0,0]=4 1372 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,1,0,0,0,0|2,0,1]=4 1373 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,1,0,0,0,0|2,0,1]=4 1374 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,1,0,0,0,0|2,0,1]=4 1375 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,1,0,0,0,0|2,0,1]=4 1376 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,1,0,0,0,0|2,0,1]=4 1377 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,1,0,0,0,0|2,0,1]=4 1378 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,1,0,0,0,0|2,0,1]=4 1379 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,1,0,0,0,0|2,0,1]=4 1380 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,1,0,0,0,0|2,0,1]=4 1381 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,1,0,0,0,0|2,0,0]=3 1382 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,1,0,0,0,0|2,0,0]=3 1383 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,1,0,0,0,0|2,0,0]=3 1384 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,1,0,0,0,0|2,0,0]=3 1385 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [0,1,0,0,0,0|1,0,1]=3 1386 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [0,1,0,0,0,0|1,0,1]=3 1387 B5R0.5 C[C@H](N)[C@H](C)N MCULE-1560418234 [0,1,0,0,0,0|2,0,1]=4 1388 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [0,1,0,0,0,0|1,0,1]=3 1389 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [0,1,0,0,0,0|1,0,1]=3 1390 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [0,1,0,0,0,0|1,0,1]=3 1391 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [0,1,0,0,0,0|1,0,1]=3 1392 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,1,0,0,0,0|1,0,1]=3 1393 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,1,0,0,0,0|2,0,1]=4 1394 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,1,0,0,0,0|2,0,1]=4 1395 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,1,0,0,0,0|2,0,1]=4 1396 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,1,0,0,0,0|2,0,1]=4 1397 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,1,0,0,0,0|2,0,1]=4 1398 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,1,0,0,0,0|2,0,1]=4 1399 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,1,0,0,0,0|2,0,1]=4 1400 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [0,1,0,0,0,0|1,0,1]=3 1401 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [0,1,0,0,0,0|1,0,1]=3 1402 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [0,1,0,0,0,0|1,0,1]=3 1403 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [0,1,0,0,0,0|1,0,1]=3 1404 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [0,1,0,0,0,0|2,0,1]=4 1405 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [0,1,0,0,0,0|2,0,1]=4 1406 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [0,1,0,0,0,0|2,0,1]=4 1407 B5R0.5 C[C@H](S)[C@@H](C)O MCULE-3347141817 [0,1,0,0,0,0|2,0,1]=4 1408 B5R0.5 N=C(N)N(N)N MCULE-6225047839 [0,1,0,0,0,0|2,0,1]=4 1409 B5R0.5 N=C(N)N(N)N MCULE-8407507713 [0,1,0,0,0,0|2,0,1]=4 1410 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [0,1,0,0,0,0|3,0,0]=4 1411 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,1,0,0,0,0|2,0,1]=4 1412 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,1,0,0,0,0|2,0,0]=3 1413 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,1,0,0,0,0|2,0,1]=4 1414 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,1,0,0,0,0|2,0,1]=4 1415 B5R0.5 NC(=S)C(=S)N MCULE-3109255800 [0,1,0,0,0,0|2,1,0]=4 1416 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,1,0,0,0,0|2,0,0]=3 1417 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,1,0,0,0,0|3,0,0]=4 1418 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,1,0,0,0,0|3,0,0]=4 1419 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,1,0,0,0,0|3,0,0]=4 1420 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,1,0,0,0,0|3,0,0]=4 1421 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,1,0,0,0,0|3,0,0]=4 1422 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,1,0,0,0,0|3,0,0]=4 1423 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,1,0,0,0,0|3,0,0]=4 1424 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,1,0,0,0,0|3,0,0]=4 1425 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,1,0,0,0,0|3,0,0]=4 1426 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,1,0,0,0,0|3,0,0]=4 1427 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,1,0,0,0,0|3,0,0]=4 1428 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,1,0,0,0,0|3,0,0]=4 1429 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,1,0,0,0,0|3,0,0]=4 1430 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,1,0,0,0,0|3,0,0]=4 1431 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,1,0,0,0,0|3,0,0]=4 1432 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,1,0,0,0,0|3,0,0]=4 1433 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,1,0,0,0,0|3,0,0]=4 1434 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,1,0,0,0,0|3,0,0]=4 1435 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,1,0,0,0,0|3,0,0]=4 1436 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,1,0,0,0,0|3,0,0]=4 1437 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,1,0,0,0,0|3,0,0]=4 1438 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,1,0,0,0,0|1,0,1]=3 1439 B5R1.2 BrC1=CCC1 MCULE-7839710306 [0,0,0,1,0,0|3,0,0]=4 1440 B5R1.2 BrC1CNC1 MCULE-4959282437 [0,0,0,1,0,0|2,0,1]=4 1441 B5R1.2 BrC1CNC1 MCULE-5635086924 [0,0,0,1,0,0|2,0,1]=4 1442 B5R1.2 BrC1CNC1 MCULE-7561312043 [0,0,0,1,0,0|2,0,1]=4 1443 B5R1.2 C=C1CCC1 MCULE-8318650413 [0,0,0,1,0,0|3,0,0]=4 1444 B5R1.2 C=C1CNC1 MCULE-1391021267 [0,0,0,1,0,0|2,0,0]=3 1445 B5R1.2 C=C1CNC1 MCULE-7957953185 [0,0,0,1,0,0|2,0,0]=3 1446 B5R1.2 C=C1COC1 MCULE-1822645869 [0,0,0,1,0,0|3,0,0]=4 1447 B5R1.2 CC1CNC1 MCULE-3977066574 [0,0,0,1,0,0|2,0,1]=4 1448 B5R1.2 CC1CNC1 MCULE-7868611457 [0,0,0,1,0,0|2,0,1]=4 1449 B5R1.2 ClC1CNC1 MCULE-2051705029 [0,0,0,1,0,0|2,0,1]=4 1450 B5R1.2 ClC1CNC1 MCULE-6678325694 [0,0,0,1,0,0|2,0,1]=4 1451 B5R1.2 FC1CNC1 MCULE-5746598794 [0,0,0,1,0,0|2,0,1]=4 1452 B5R1.2 FC1CNC1 MCULE-9427948721 [0,0,0,1,0,0|2,0,1]=4 1453 B5R1.2 IC1CNC1 MCULE-5957681014 [0,0,0,1,0,0|2,0,1]=4 1454 B5R1.2 IC1CNC1 MCULE-7396587981 [0,0,0,1,0,0|2,0,1]=4 1455 B5R1.2 NC1CNC1 MCULE-3069271350 [0,0,0,1,0,0|2,0,1]=4 1456 B5R1.2 NC1CNC1 MCULE-4785323807 [0,0,0,1,0,0|2,0,1]=4 1457 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,0,0,1,0,0|2,0,1]=4 1458 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,0,0,1,0,0|1,0,2]=4 1459 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,0,0,1,0,0|2,0,1]=4 1460 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,0,0,1,0,0|1,0,1]=3 1461 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,0,0,1,0,0|1,0,1]=3 1462 B5R1.2 O=C1COC1 MCULE-6847248632 [0,0,0,1,0,0|2,0,1]=4 1463 B5R1.2 O=C1CSC1 MCULE-4436071261 [0,0,0,1,0,0|2,0,1]=4 1464 B5R1.2 OC1CCC1 MCULE-2856311430 [0,0,0,1,0,0|2,0,1]=4 1465 B5R1.2 OC1CNC1 MCULE-3596383447 [0,0,0,1,0,0|1,0,1]=3 1466 B5R1.2 OC1CNC1 MCULE-7913518128 [0,0,0,1,0,0|1,0,1]=3 1467 B5R1.2 OC1COC1 MCULE-2630355859 [0,0,0,1,0,0|2,0,1]=4 1468 B5R1.2 OC1CSC1 MCULE-6759275460 [0,0,0,1,0,0|2,0,1]=4 1469 B5R1.2 SC1CNC1 MCULE-5823473779 [0,0,0,1,0,0|1,1,1]=4 1470 B5R1.2 SC1CNC1 MCULE-9002536698 [0,0,0,1,0,0|1,1,1]=4 1471 B5R1.3 BrCC1CO1 MCULE-1054784183 [0,0,0,1,0,0|2,0,1]=4 1472 B5R1.3 C1(CO1)CCl MCULE-2239256431 [0,0,0,1,0,0|2,0,1]=4 1473 B5R1.3 C=CC1CO1 MCULE-1428696186 [0,0,0,1,0,0|2,0,1]=4 1474 B5R1.3 CCC1CO1 MCULE-4316722229 [0,0,0,1,0,0|2,0,1]=4 1475 B5R1.3 CCC1CO1 MCULE-8341828978 [0,0,0,1,0,0|2,0,1]=4 1476 B5R1.3 CC[C@@H]1CO1 MCULE-4349820919 [0,0,0,1,0,0|2,0,1]=4 1477 B5R1.3 CC[C@@H]1CO1 MCULE-5929218989 [0,0,0,1,0,0|2,0,1]=4 1478 B5R1.3 CC[C@H]1CO1 MCULE-3647278168 [0,0,0,1,0,0|2,0,1]=4 1479 B5R1.3 CC[C@H]1CO1 MCULE-4369524443 [0,0,0,1,0,0|2,0,1]=4 1480 B5R1.3 ClCC1CO1 MCULE-9759519789 [0,0,0,1,0,0|2,0,1]=4 1481 B5R1.3 ClC[C@@H]1CO1 MCULE-8144448889 [0,0,0,1,0,0|2,0,1]=4 1482 B5R1.3 ClC[C@@H]1CO1 MCULE-8710235870 [0,0,0,1,0,0|2,0,1]=4 1483 B5R1.3 ClC[C@H]1CO1 MCULE-2316124162 [0,0,0,1,0,0|2,0,1]=4 1484 B5R1.3 ClC[C@H]1CO1 MCULE-6957304600 [0,0,0,1,0,0|2,0,1]=4 1485 B5R1.3 FCC1CO1 MCULE-6156138745 [0,0,0,1,0,0|2,0,1]=4 1486 B5R1.3 FC[C@@H]1CO1 MCULE-7477932707 [0,0,0,1,0,0|2,0,1]=4 1487 B5R1.3 ICC1CO1 MCULE-6993621560 [0,0,0,1,0,0|2,0,1]=4 1488 B5R1.3 NCC1CC1 MCULE-5832294538 [0,0,0,1,0,0|2,0,1]=4 1489 B5R1.3 NCC1CC1 MCULE-9914994928 [0,0,0,1,0,0|2,0,1]=4 1490 B5R1.3 NNC1CC1 MCULE-3522729516 [0,0,0,1,0,0|1,0,2]=4 1491 B5R1.3 NNC1CC1 MCULE-7121199703 [0,0,0,1,0,0|1,0,2]=4 1492 B5R1.3 NNC1CC1 MCULE-8598538666 [0,0,0,1,0,0|1,0,2]=4 1493 B5R1.3 NOC1CC1 MCULE-5379816123 [0,0,0,1,0,0|2,0,1]=4 1494 B5R1.3 OCC1CO1 MCULE-2158628585 [0,0,0,1,0,0|2,0,1]=4 1495 B5R1.3 OCC1CO1 MCULE-4063620133 [0,0,0,1,0,0|2,0,1]=4 1496 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [0,0,0,1,0,0|2,0,1]=4 1497 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [0,0,0,1,0,0|2,0,1]=4 1498 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [0,0,0,1,0,0|2,0,1]=4 1499 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [0,0,0,1,0,0|2,0,1]=4 1500 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [0,0,0,1,0,0|2,0,1]=4 1501 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [0,0,0,1,0,0|2,0,1]=4 1502 B5R1.4 CC1CC1N MCULE-4472318973 [0,0,0,1,0,0|2,0,1]=4 1503 B5R1.4 CC1CC1N MCULE-8037315228 [0,0,0,1,0,0|2,0,1]=4 1504 B5R1.4 CC1CC1O MCULE-2006758475 [0,0,0,1,0,0|2,0,1]=4 1505 B5R1.4 CC1OC1C MCULE-9780363671 [0,0,0,1,0,0|2,0,1]=4 1506 B5R1.4 C[C@@H]1C[C@@H]1N MCULE-6282896395 [0,0,0,1,0,0|2,0,1]=4 1507 B5R1.4 C[C@@H]1C[C@H]1N MCULE-1526017761 [0,0,0,1,0,0|2,0,1]=4 1508 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7111745511 [0,0,0,1,0,0|2,0,1]=4 1509 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7879046644 [0,0,0,1,0,0|2,0,1]=4 1510 B5R1.4 C[C@@H]1C[C@H]1N MCULE-9805986423 [0,0,0,1,0,0|2,0,1]=4 1511 B5R1.4 C[C@@H]1O[C@@H]1C MCULE-4355544092 [0,0,0,1,0,0|2,0,1]=4 1512 B5R1.4 C[C@@H]1O[C@H]1C MCULE-1930253682 [0,0,0,1,0,0|2,0,1]=4 1513 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9525222696 [0,0,0,1,0,0|2,0,1]=4 1514 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9658987958 [0,0,0,1,0,0|2,0,1]=4 1515 B5R1.4 C[C@H]1C[C@H]1N MCULE-4953477750 [0,0,0,1,0,0|2,0,1]=4 1516 B5R1.4 C[C@H]1C[C@H]1N MCULE-6429810931 [0,0,0,1,0,0|2,0,1]=4 1517 B5R1.4 C[C@H]1O[C@@H]1C MCULE-4354089942 [0,0,0,1,0,0|2,0,1]=4 1518 B5R1.4 C[C@H]1O[C@@H]1C MCULE-7982793342 [0,0,0,1,0,0|2,0,1]=4 1519 B5R1.4 NC1CC1F MCULE-8246845073 [0,0,0,1,0,0|2,0,1]=4 1520 B5R1.4 NC1CC1F MCULE-9705431616 [0,0,0,1,0,0|2,0,1]=4 1521 B5R1.4 NC1CC1N MCULE-2596247889 [0,0,0,1,0,0|2,0,1]=4 1522 B5R1.4 NC1CC1N MCULE-7859500244 [0,0,0,1,0,0|2,0,1]=4 1523 B5R1.4 NC1CC1O MCULE-2677451452 [0,0,0,1,0,0|1,0,1]=3 1524 B5R1.4 NC1CC1O MCULE-2909581707 [0,0,0,1,0,0|1,0,1]=3 1525 B5R1.4 NC1C[C@@H]1F MCULE-6104198419 [0,0,0,1,0,0|2,0,1]=4 1526 B5R1.4 NC1C[C@@H]1F MCULE-8327037761 [0,0,0,1,0,0|2,0,1]=4 1527 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1523759808 [0,0,0,1,0,0|2,0,1]=4 1528 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-1966857090 [0,0,0,1,0,0|2,0,1]=4 1529 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-3541599795 [0,0,0,1,0,0|2,0,1]=4 1530 B5R1.4 N[C@@H]1C[C@@H]1F MCULE-8279324103 [0,0,0,1,0,0|2,0,1]=4 1531 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [0,0,0,1,0,0|1,0,1]=3 1532 B5R1.4 N[C@@H]1C[C@H]1F MCULE-1379839035 [0,0,0,1,0,0|2,0,1]=4 1533 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7084330140 [0,0,0,1,0,0|2,0,1]=4 1534 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7552076798 [0,0,0,1,0,0|2,0,1]=4 1535 B5R1.4 N[C@@H]1C[C@H]1F MCULE-7897288338 [0,0,0,1,0,0|2,0,1]=4 1536 B5R1.4 N[C@@H]1C[C@H]1N MCULE-3447984641 [0,0,0,1,0,0|2,0,1]=4 1537 B5R1.4 N[C@@H]1C[C@H]1N MCULE-6823903337 [0,0,0,1,0,0|2,0,1]=4 1538 B5R1.4 N[C@@H]1C[C@H]1N MCULE-7464483331 [0,0,0,1,0,0|2,0,1]=4 1539 B5R1.4 N[C@@H]1C[C@H]1N MCULE-8962336863 [0,0,0,1,0,0|2,0,1]=4 1540 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [0,0,0,1,0,0|1,0,1]=3 1541 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [0,0,0,1,0,0|1,0,1]=3 1542 B5R1.4 N[C@H]1C[C@@H]1F MCULE-2098980306 [0,0,0,1,0,0|2,0,1]=4 1543 B5R1.4 N[C@H]1C[C@@H]1F MCULE-4142129455 [0,0,0,1,0,0|2,0,1]=4 1544 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8616633135 [0,0,0,1,0,0|2,0,1]=4 1545 B5R1.4 N[C@H]1C[C@@H]1F MCULE-8788279695 [0,0,0,1,0,0|2,0,1]=4 1546 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3374448650 [0,0,0,1,0,0|2,0,1]=4 1547 B5R1.4 N[C@H]1C[C@@H]1N MCULE-3782038729 [0,0,0,1,0,0|2,0,1]=4 1548 B5R1.4 N[C@H]1C[C@@H]1N MCULE-7583094160 [0,0,0,1,0,0|2,0,1]=4 1549 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [0,0,0,1,0,0|1,0,1]=3 1550 B5R1.4 N[C@H]1C[C@H]1F MCULE-1665232627 [0,0,0,1,0,0|2,0,1]=4 1551 B5R1.4 N[C@H]1C[C@H]1F MCULE-1941678287 [0,0,0,1,0,0|2,0,1]=4 1552 B5R1.4 N[C@H]1C[C@H]1F MCULE-3275343851 [0,0,0,1,0,0|2,0,1]=4 1553 B5R1.4 N[C@H]1C[C@H]1F MCULE-5308534229 [0,0,0,1,0,0|2,0,1]=4 1554 B5R1.4 N[C@H]1C[C@H]1N MCULE-1426528738 [0,0,0,1,0,0|2,0,1]=4 1555 B5R1.4 N[C@H]1C[C@H]1N MCULE-6003446819 [0,0,0,1,0,0|2,0,1]=4 1556 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [0,0,0,1,0,0|1,0,1]=3 1557 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [0,0,0,1,0,0|1,0,1]=3 1558 B5R1.4 [C@@H]1(C[C@H]1N)F MCULE-5118118569 [0,0,0,1,0,0|2,0,1]=4 1559 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-1071128348 [0,0,0,1,0,0|2,0,1]=4 1560 B5R1.4 [C@H]1(C[C@H]1F)N MCULE-8956631145 [0,0,0,1,0,0|2,0,1]=4 1561 B5R1.5 CC1(CC1)O MCULE-8472680145 [0,0,0,1,0,0|2,0,1]=4 1562 B5R1.5 CC1(CN1)C MCULE-8452595493 [0,0,0,1,0,0|2,0,1]=4 1563 B2R0.1 C#CC MCULE-8346460782 [2,0,0,0,0,0|1,0,1]=4 1564 B2R0.1 C=C=C MCULE-2040872097 [2,0,0,0,0,0|2,0,0]=4 1565 B2R0.1 C=CBr MCULE-1481946455 [2,0,0,0,0,0|1,0,1]=4 1566 B2R0.1 C=CC MCULE-5223715076 [2,0,0,0,0,0|1,0,0]=3 1567 B2R0.1 C=CCl MCULE-9678046268 [2,0,0,0,0,0|1,0,1]=4 1568 B2R0.1 C=CI MCULE-2939062322 [2,0,0,0,0,0|1,0,1]=4 1569 B2R0.1 C=CO MCULE-8167566239 [2,0,0,0,0,0|0,0,1]=3 1570 B2R0.1 C=NN MCULE-4427606079 [2,0,0,0,0,0|0,0,0]=2 1571 B2R0.1 C=NO MCULE-1312312591 [2,0,0,0,0,0|1,0,0]=3 1572 B2R0.1 C=NO MCULE-7599902650 [2,0,0,0,0,0|1,0,0]=3 1573 B2R0.1 CC#N MCULE-8803543318 [2,0,0,0,0,0|0,0,2]=4 1574 B2R0.1 CC=O MCULE-6002254510 [2,0,0,0,0,0|0,0,1]=3 1575 B2R0.1 CC=O MCULE-6800925955 [2,0,0,0,0,0|0,0,1]=3 1576 B2R0.1 CCBr MCULE-9840669634 [2,0,0,0,0,0|1,0,1]=4 1577 B2R0.1 CCC MCULE-7179517367 [2,0,0,0,0,0|1,0,1]=4 1578 B2R0.1 CCCl MCULE-8087909182 [2,0,0,0,0,0|1,0,1]=4 1579 B2R0.1 CCI MCULE-9405436513 [2,0,0,0,0,0|1,0,1]=4 1580 B2R0.1 CCN MCULE-1774065508 [2,0,0,0,0,0|0,0,1]=3 1581 B2R0.1 CCN MCULE-5999638632 [2,0,0,0,0,0|0,0,1]=3 1582 B2R0.1 CCN MCULE-6233823811 [2,0,0,0,0,0|0,0,1]=3 1583 B2R0.1 CCN MCULE-6444557204 [2,0,0,0,0,0|0,0,1]=3 1584 B2R0.1 CCO MCULE-8818474596 [2,0,0,0,0,0|0,0,1]=3 1585 B2R0.1 CCS MCULE-5717309901 [2,0,0,0,0,0|0,1,1]=4 1586 B2R0.1 CNC MCULE-2809467532 [2,0,0,0,0,0|1,0,1]=4 1587 B2R0.1 CNN MCULE-6163742401 [2,0,0,0,0,0|0,0,1]=3 1588 B2R0.1 CNN MCULE-7217348217 [2,0,0,0,0,0|0,0,1]=3 1589 B2R0.1 CNN MCULE-9086529736 [2,0,0,0,0,0|0,0,1]=3 1590 B2R0.1 CNO MCULE-5310203084 [2,0,0,0,0,0|1,0,0]=3 1591 B2R0.1 CNO MCULE-7072005453 [2,0,0,0,0,0|1,0,0]=3 1592 B2R0.1 COC MCULE-4385003255 [2,0,0,0,0,0|2,0,0]=4 1593 B2R0.1 CON MCULE-1068458971 [2,0,0,0,0,0|1,0,0]=3 1594 B2R0.1 CON MCULE-8687558307 [2,0,0,0,0,0|1,0,0]=3 1595 B2R0.1 CO[NH3+] MCULE-6631452734 [2,0,0,0,0,0|1,0,1]=4 1596 B2R0.1 CO[NH3+] MCULE-9975010969 [2,0,0,0,0,0|1,0,1]=4 1597 B2R0.1 CSC MCULE-4525381422 [2,0,0,0,0,0|2,0,0]=4 1598 B2R0.1 C[Se]C MCULE-5369504805 [2,0,0,0,0,0|2,0,0]=4 1599 B2R0.1 N#CN MCULE-9026610515 [2,0,0,0,0,0|1,0,1]=4 1600 B2R0.1 N#CO MCULE-7459250889 [2,0,0,0,0,0|0,0,2]=4 1601 B2R0.1 N=C=O MCULE-6805056266 [2,0,0,0,0,0|0,0,2]=4 1602 B2R0.1 N=CN MCULE-3312866825 [2,0,0,0,0,0|1,0,0]=3 1603 B2R0.1 N=CN MCULE-4184922761 [2,0,0,0,0,0|1,0,0]=3 1604 B2R0.1 N=CN MCULE-8637660949 [2,0,0,0,0,0|1,0,0]=3 1605 B2R0.1 NC=O MCULE-1633954643 [2,0,0,0,0,0|0,0,1]=3 1606 B2R0.1 NC=O MCULE-4202420620 [2,0,0,0,0,0|0,0,1]=3 1607 B2R0.1 NC=S MCULE-9004645073 [2,0,0,0,0,0|0,1,0]=3 1608 B2R0.1 NC=[NH2+] MCULE-1491590547 [2,0,0,0,0,0|1,0,0]=3 1609 B2R0.1 NCN MCULE-1911584441 [2,0,0,0,0,0|1,0,1]=4 1610 B2R0.1 NCN MCULE-5032116024 [2,0,0,0,0,0|1,0,1]=4 1611 B2R0.1 O=BO MCULE-1752281859 [2,0,0,0,0,0|2,0,0]=4 1612 B2R0.1 O=CO MCULE-7175589186 [2,0,0,0,0,0|1,0,0]=3 1613 B2R0.1 O=C[O-] MCULE-2970986504 [2,0,0,0,0,0|1,0,1]=4 1614 B2R0.1 O=C[O-] MCULE-3867870864 [2,0,0,0,0,0|1,0,1]=4 1615 B2R0.1 O=C[O-] MCULE-4029930501 [2,0,0,0,0,0|1,0,1]=4 1616 B2R0.1 O=NO MCULE-6927518919 [2,0,0,0,0,0|1,0,0]=3 1617 B2R0.1 O=N[O-] MCULE-3257981536 [2,0,0,0,0,0|1,0,1]=4 1618 B2R0.1 O=N[O-] MCULE-7337131268 [2,0,0,0,0,0|1,0,1]=4 1619 B2R0.1 O=PO MCULE-5287418544 [2,0,0,0,0,0|1,1,0]=4 1620 B2R0.1 OBO MCULE-8455181481 [2,0,0,0,0,0|2,0,0]=4 1621 B2R0.1 OPO MCULE-1346196691 [2,0,0,0,0,0|1,1,0]=4 1622 B2R0.1 OPO MCULE-5673098193 [2,0,0,0,0,0|1,1,0]=4 1623 B2R0.1 [O-]PO MCULE-2811495269 [2,0,0,0,0,0|1,1,0]=4 1624 B2R0.1 [O-]PO MCULE-6918966731 [2,0,0,0,0,0|1,1,0]=4 1625 B4R0.2 BrC=CCBr MCULE-1480697982 [1,1,0,0,0,0|2,0,0]=4 1626 B4R0.2 C#CC=CC MCULE-9741359131 [1,1,0,0,0,0|2,0,0]=4 1627 B4R0.2 C/C=C/C#N MCULE-2754343103 [1,1,0,0,0,0|1,0,1]=4 1628 B4R0.2 C/C=C/C=O MCULE-9924705308 [1,1,0,0,0,0|2,0,0]=4 1629 B4R0.2 C/C=C/CCl MCULE-9977493525 [1,1,0,0,0,0|2,0,0]=4 1630 B4R0.2 C/C=C/CO MCULE-2383161163 [1,1,0,0,0,0|2,0,0]=4 1631 B4R0.2 C/C=C/OC MCULE-3906920304 [1,1,0,0,0,0|2,0,0]=4 1632 B4R0.2 C/C=C\CO MCULE-5924662327 [1,1,0,0,0,0|2,0,0]=4 1633 B4R0.2 C=C=CCC MCULE-6123315571 [1,1,0,0,0,0|2,0,0]=4 1634 B4R0.2 C=C=CCN MCULE-5700871644 [1,1,0,0,0,0|1,0,1]=4 1635 B4R0.2 C=C=CCN MCULE-9120483529 [1,1,0,0,0,0|1,0,1]=4 1636 B4R0.2 C=C=CCO MCULE-5424851896 [1,1,0,0,0,0|2,0,0]=4 1637 B4R0.2 C=CC=CC MCULE-4452516287 [1,1,0,0,0,0|2,0,0]=4 1638 B4R0.2 C=CCCN MCULE-2471716627 [1,1,0,0,0,0|1,0,1]=4 1639 B4R0.2 C=CCCN MCULE-2881108697 [1,1,0,0,0,0|1,0,1]=4 1640 B4R0.2 C=CCNC MCULE-3335720336 [1,1,0,0,0,0|1,0,1]=4 1641 B4R0.2 C=CCNN MCULE-2550690274 [1,1,0,0,0,0|0,0,2]=4 1642 B4R0.2 C=CCNN MCULE-3554567414 [1,1,0,0,0,0|0,0,2]=4 1643 B4R0.2 C=CCNN MCULE-8741523989 [1,1,0,0,0,0|0,0,2]=4 1644 B4R0.2 C=CCON MCULE-2094787759 [1,1,0,0,0,0|1,0,1]=4 1645 B4R0.2 C=CCON MCULE-6222602533 [1,1,0,0,0,0|1,0,1]=4 1646 B4R0.2 CC#CCN MCULE-7027146471 [1,1,0,0,0,0|1,0,1]=4 1647 B4R0.2 CC#CCN MCULE-9570644542 [1,1,0,0,0,0|1,0,1]=4 1648 B4R0.2 CC=CC#N MCULE-5062019142 [1,1,0,0,0,0|1,0,1]=4 1649 B4R0.2 CC=CC=O MCULE-2497362981 [1,1,0,0,0,0|2,0,0]=4 1650 B4R0.2 CC=CCBr MCULE-7855581866 [1,1,0,0,0,0|2,0,0]=4 1651 B4R0.2 CC=CCC MCULE-5931905453 [1,1,0,0,0,0|2,0,0]=4 1652 B4R0.2 CC=CCCl MCULE-3941962217 [1,1,0,0,0,0|2,0,0]=4 1653 B4R0.2 CC=CCO MCULE-7490725844 [1,1,0,0,0,0|2,0,0]=4 1654 B4R0.2 CC=COC MCULE-6712403535 [1,1,0,0,0,0|2,0,0]=4 1655 B4R0.2 CC=CSC MCULE-5921906156 [1,1,0,0,0,0|2,0,0]=4 1656 B4R0.2 CCC=CBr MCULE-4471551501 [1,1,0,0,0,0|2,0,0]=4 1657 B4R0.2 CCC=NO MCULE-9457280654 [1,1,0,0,0,0|1,0,0]=3 1658 B4R0.2 CCCCN MCULE-1731874934 [1,1,0,0,0,0|1,0,1]=4 1659 B4R0.2 CCCCN MCULE-4233278050 [1,1,0,0,0,0|1,0,1]=4 1660 B4R0.2 CCCCN MCULE-5242069370 [1,1,0,0,0,0|1,0,1]=4 1661 B4R0.2 CCCCN MCULE-7343835253 [1,1,0,0,0,0|1,0,1]=4 1662 B4R0.2 CCCNC MCULE-2266616259 [1,1,0,0,0,0|1,0,1]=4 1663 B4R0.2 CCCNC MCULE-7722796872 [1,1,0,0,0,0|1,0,1]=4 1664 B4R0.2 CCCNN MCULE-4121438775 [1,1,0,0,0,0|0,0,2]=4 1665 B4R0.2 CCCNN MCULE-5875592228 [1,1,0,0,0,0|0,0,2]=4 1666 B4R0.2 CCCNN MCULE-9585694661 [1,1,0,0,0,0|0,0,2]=4 1667 B4R0.2 CCCON MCULE-4800172637 [1,1,0,0,0,0|1,0,1]=4 1668 B4R0.2 CCCON MCULE-7988781002 [1,1,0,0,0,0|1,0,1]=4 1669 B4R0.2 CCN=C=O MCULE-6522145601 [1,1,0,0,0,0|1,0,1]=4 1670 B4R0.2 CCN=C=S MCULE-9838756606 [1,1,0,0,0,0|1,0,1]=4 1671 B4R0.2 CCONC MCULE-5446312516 [1,1,0,0,0,0|1,0,1]=4 1672 B4R0.2 CCONC MCULE-7976027802 [1,1,0,0,0,0|1,0,1]=4 1673 B4R0.2 CNCCN MCULE-2881688448 [1,1,0,0,0,0|1,0,1]=4 1674 B4R0.2 CNCCN MCULE-7199403269 [1,1,0,0,0,0|1,0,1]=4 1675 B4R0.2 CNCCO MCULE-7051900771 [1,1,0,0,0,0|1,0,1]=4 1676 B4R0.2 CNCCO MCULE-7934732981 [1,1,0,0,0,0|1,0,1]=4 1677 B4R0.2 COCCN MCULE-5051556646 [1,1,0,0,0,0|1,0,1]=4 1678 B4R0.2 COCCN MCULE-7519068386 [1,1,0,0,0,0|1,0,1]=4 1679 B4R0.2 COCON MCULE-6032854331 [1,1,0,0,0,0|1,0,1]=4 1680 B4R0.2 CSCCN MCULE-5168245255 [1,1,0,0,0,0|1,0,1]=4 1681 B4R0.2 CSCCN MCULE-6275285732 [1,1,0,0,0,0|1,0,1]=4 1682 B4R0.2 Cl/C=C/CCl MCULE-4516188972 [1,1,0,0,0,0|2,0,0]=4 1683 B4R0.2 ClC/C=C/Br MCULE-1061414929 [1,1,0,0,0,0|2,0,0]=4 1684 B4R0.2 ClC=CCCl MCULE-4655672652 [1,1,0,0,0,0|2,0,0]=4 1685 B4R0.2 N/C=C/C=O MCULE-2444951625 [1,1,0,0,0,0|1,0,1]=4 1686 B4R0.2 NC=CC=O MCULE-4070918342 [1,1,0,0,0,0|1,0,1]=4 1687 B4R0.2 NCCCBr MCULE-5485748003 [1,1,0,0,0,0|1,0,1]=4 1688 B4R0.2 NCCCBr MCULE-7072709972 [1,1,0,0,0,0|1,0,1]=4 1689 B4R0.2 NCCCCl MCULE-1324157004 [1,1,0,0,0,0|1,0,1]=4 1690 B4R0.2 NCCCCl MCULE-3667248190 [1,1,0,0,0,0|1,0,1]=4 1691 B4R0.2 NCCCF MCULE-5215746973 [1,1,0,0,0,0|1,0,1]=4 1692 B4R0.2 NCCCF MCULE-8077133369 [1,1,0,0,0,0|1,0,1]=4 1693 B4R0.2 NCCCI MCULE-3534892097 [1,1,0,0,0,0|1,0,1]=4 1694 B4R0.2 NCCCI MCULE-8010453546 [1,1,0,0,0,0|1,0,1]=4 1695 B4R0.2 NCCCN MCULE-4293255820 [1,1,0,0,0,0|1,0,1]=4 1696 B4R0.2 NCCCN MCULE-5041378433 [1,1,0,0,0,0|1,0,1]=4 1697 B4R0.2 NCCCN MCULE-6944452060 [1,1,0,0,0,0|1,0,1]=4 1698 B4R0.2 NCCCN MCULE-7375662153 [1,1,0,0,0,0|1,0,1]=4 1699 B4R0.2 NCCCN MCULE-8277465929 [1,1,0,0,0,0|1,0,1]=4 1700 B4R0.2 NCCCN MCULE-9929373126 [1,1,0,0,0,0|1,0,1]=4 1701 B4R0.2 NCCCO MCULE-2851278356 [1,1,0,0,0,0|1,0,1]=4 1702 B4R0.2 NCCCO MCULE-9698089092 [1,1,0,0,0,0|1,0,1]=4 1703 B4R0.2 NCCCS MCULE-3994478020 [1,1,0,0,0,0|1,0,1]=4 1704 B4R0.2 NCCCS MCULE-7730973866 [1,1,0,0,0,0|1,0,1]=4 1705 B4R0.2 NCCON MCULE-3613980902 [1,1,0,0,0,0|1,0,1]=4 1706 B4R0.2 NCCON MCULE-7030217952 [1,1,0,0,0,0|1,0,1]=4 1707 B4R0.2 NCCON MCULE-8959912781 [1,1,0,0,0,0|1,0,1]=4 1708 B4R0.2 NNCCF MCULE-2712460031 [1,1,0,0,0,0|0,0,2]=4 1709 B4R0.2 NNCCF MCULE-8505927457 [1,1,0,0,0,0|0,0,2]=4 1710 B4R0.2 NNCCO MCULE-1290652744 [1,1,0,0,0,0|0,0,2]=4 1711 B4R0.2 NOCCBr MCULE-2796346082 [1,1,0,0,0,0|1,0,1]=4 1712 B4R0.2 NOCCBr MCULE-5636354898 [1,1,0,0,0,0|1,0,1]=4 1713 B4R0.2 NOCCCl MCULE-5981688956 [1,1,0,0,0,0|1,0,1]=4 1714 B4R0.2 NOCCF MCULE-1813481600 [1,1,0,0,0,0|1,0,1]=4 1715 B4R0.2 NOCCF MCULE-2993254805 [1,1,0,0,0,0|1,0,1]=4 1716 B4R0.2 NOCCO MCULE-2545004367 [1,1,0,0,0,0|1,0,1]=4 1717 B4R0.2 OC=CCCl MCULE-4750991393 [1,1,0,0,0,0|2,0,0]=4 1718 B4R0.2 OCC=CBr MCULE-4636104289 [1,1,0,0,0,0|2,0,0]=4 1719 B4R0.2 OCC=CCl MCULE-2110127594 [1,1,0,0,0,0|2,0,0]=4 1720 B4R0.2 ON=CCCl MCULE-5736695742 [1,1,0,0,0,0|1,0,0]=3 1721 B4R0.3 CC(C)(C)N MCULE-6304532422 [1,1,0,0,0,0|1,0,1]=4 1722 B4R0.3 CC(C)(C)N MCULE-7949511330 [1,1,0,0,0,0|1,0,1]=4 1723 B4R0.3 CC(C)(C)O MCULE-2451492095 [1,1,0,0,0,0|1,0,1]=4 1724 B4R0.3 CP(=O)(C)O MCULE-6213882061 [1,1,0,0,0,0|2,0,0]=4 1725 B4R0.3 CP(=O)(O)O MCULE-1998702544 [1,1,0,0,0,0|2,0,0]=4 1726 B4R0.3 CS(=N)(=O)C MCULE-2258256823 [1,1,0,0,0,0|1,0,1]=4 1727 B4R0.3 CS(=N)(=O)C MCULE-9753633994 [1,1,0,0,0,0|1,0,1]=4 1728 B4R0.3 CS(=O)(=O)N MCULE-3286513976 [1,1,0,0,0,0|1,0,1]=4 1729 B4R0.3 CS(=O)(=O)O MCULE-3859614034 [1,1,0,0,0,0|2,0,0]=4 1730 B4R0.3 CS(=O)(=O)O MCULE-6572487779 [1,1,0,0,0,0|2,0,0]=4 1731 B4R0.3 CS(=O)(=O)O MCULE-9395657013 [1,1,0,0,0,0|2,0,0]=4 1732 B4R0.3 C[As](=O)(C)O MCULE-8596669108 [1,1,0,0,0,0|2,0,0]=4 1733 B4R0.3 C[As](=O)(O)O MCULE-7801777602 [1,1,0,0,0,0|2,0,0]=4 1734 B4R0.3 C[N+](C)(C)N MCULE-2241507629 [1,1,0,0,0,0|2,0,0]=4 1735 B4R0.3 C[N+](C)(C)N MCULE-8001746254 [1,1,0,0,0,0|2,0,0]=4 1736 B4R0.3 C[Si](C)(C)O MCULE-7661125809 [1,1,0,0,0,0|1,1,0]=4 1737 B4R0.3 NS(=O)(=O)O MCULE-8047713803 [1,1,0,0,0,0|2,0,0]=4 1738 B6R0.1 C#C/C(=C\CO)/C MCULE-5643545939 [0,2,0,0,0,0|2,0,0]=4 1739 B6R0.1 C#CC(=CCO)C MCULE-7063837718 [0,2,0,0,0,0|2,0,0]=4 1740 B6R0.1 C/C(=N\O)/C=N/O MCULE-3049929204 [0,2,0,0,0,0|1,0,0]=3 1741 B6R0.1 C/N=C(\C)/NC#N MCULE-2366216281 [0,2,0,0,0,0|2,0,0]=4 1742 B6R0.1 C=CC/C(=N/O)/N MCULE-6681864760 [0,2,0,0,0,0|2,0,0]=4 1743 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [0,2,0,0,0,0|1,0,1]=4 1744 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [0,2,0,0,0,0|1,0,1]=4 1745 B6R0.1 C=CCC(O)CN MCULE-8237489732 [0,2,0,0,0,0|1,0,1]=4 1746 B6R0.1 CC#CC(=O)NN MCULE-2475728417 [0,2,0,0,0,0|0,0,2]=4 1747 B6R0.1 CC(=CCN)C#N MCULE-1319014311 [0,2,0,0,0,0|2,0,0]=4 1748 B6R0.1 CC(=CCN)C#N MCULE-4924794215 [0,2,0,0,0,0|2,0,0]=4 1749 B6R0.1 CC(=CN=O)NO MCULE-1780424821 [0,2,0,0,0,0|1,0,0]=3 1750 B6R0.1 CC(=NO)C=NO MCULE-9711224051 [0,2,0,0,0,0|1,0,0]=3 1751 B6R0.1 CC(CN)CCO MCULE-5515163518 [0,2,0,0,0,0|1,0,1]=4 1752 B6R0.1 CC(CO)CCN MCULE-9900244005 [0,2,0,0,0,0|1,0,1]=4 1753 B6R0.1 CCC(=CCO)C MCULE-5264054153 [0,2,0,0,0,0|2,0,0]=4 1754 B6R0.1 CCC(=O)CNC MCULE-3030105640 [0,2,0,0,0,0|1,0,1]=4 1755 B6R0.1 CCC(=O)CNC MCULE-6945295017 [0,2,0,0,0,0|1,0,1]=4 1756 B6R0.1 CCC(O)CCN MCULE-5387303971 [0,2,0,0,0,0|1,0,1]=4 1757 B6R0.1 CCC(O)CNC MCULE-2490431367 [0,2,0,0,0,0|1,0,1]=4 1758 B6R0.1 CCC(O)CNN MCULE-1038166714 [0,2,0,0,0,0|0,0,2]=4 1759 B6R0.1 CCC(O)CNN MCULE-6391104058 [0,2,0,0,0,0|0,0,2]=4 1760 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,2,0,0,0,0|2,0,0]=4 1761 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,2,0,0,0,0|2,0,0]=4 1762 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,2,0,0,0,0|2,0,0]=4 1763 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,2,0,0,0,0|1,0,1]=4 1764 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,2,0,0,0,0|1,0,1]=4 1765 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,2,0,0,0,0|0,0,2]=4 1766 B6R0.1 CCCC(O)CN MCULE-9402934997 [0,2,0,0,0,0|1,0,1]=4 1767 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,2,0,0,0,0|1,0,1]=4 1768 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,2,0,0,0,0|1,0,1]=4 1769 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,2,0,0,0,0|0,0,2]=4 1770 B6R0.1 CCNC(=S)NN MCULE-9599210899 [0,2,0,0,0,0|0,1,1]=4 1771 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,2,0,0,0,0|1,0,0]=3 1772 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,2,0,0,0,0|1,0,0]=3 1773 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,2,0,0,0,0|1,0,0]=3 1774 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,2,0,0,0,0|1,0,1]=4 1775 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,2,0,0,0,0|1,0,1]=4 1776 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,2,0,0,0,0|0,0,2]=4 1777 B6R0.1 CCOC(C)CN MCULE-2322112215 [0,2,0,0,0,0|1,0,1]=4 1778 B6R0.1 CCOC(C)CN MCULE-7307949125 [0,2,0,0,0,0|1,0,1]=4 1779 B6R0.1 CN(CCO)N=O MCULE-3975606321 [0,2,0,0,0,0|2,0,0]=4 1780 B6R0.1 CN/C(=N\C#N)/[S-] MCULE-1111458468 [0,2,0,0,0,0|0,1,1]=4 1781 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,2,0,0,0,0|1,0,1]=4 1782 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,2,0,0,0,0|1,0,1]=4 1783 B6R0.1 CNC(=O)CON MCULE-6451598359 [0,2,0,0,0,0|1,0,1]=4 1784 B6R0.1 CNC(=O)CON MCULE-8743298594 [0,2,0,0,0,0|1,0,1]=4 1785 B6R0.1 CNCC(=O)NC MCULE-4579550577 [0,2,0,0,0,0|1,0,1]=4 1786 B6R0.1 CNCC(=O)NC MCULE-7833395637 [0,2,0,0,0,0|1,0,1]=4 1787 B6R0.1 CNCC(=O)NN MCULE-8639164023 [0,2,0,0,0,0|0,0,2]=4 1788 B6R0.1 CNCC(=O)OC MCULE-1667683926 [0,2,0,0,0,0|1,0,1]=4 1789 B6R0.1 CNCC(=O)OC MCULE-5530863658 [0,2,0,0,0,0|1,0,1]=4 1790 B6R0.1 CNCC(C)CO MCULE-6329429747 [0,2,0,0,0,0|1,0,1]=4 1791 B6R0.1 CNCC(C)OC MCULE-6977139114 [0,2,0,0,0,0|1,0,1]=4 1792 B6R0.1 CNCC(C)OC MCULE-8216810034 [0,2,0,0,0,0|1,0,1]=4 1793 B6R0.1 CNCC(O)CF MCULE-3368370486 [0,2,0,0,0,0|1,0,1]=4 1794 B6R0.1 CNCC(O)CN MCULE-1077260629 [0,2,0,0,0,0|1,0,1]=4 1795 B6R0.1 CNCC(O)CO MCULE-4566952448 [0,2,0,0,0,0|1,0,1]=4 1796 B6R0.1 CNC[C@H](O)CO MCULE-3410453252 [0,2,0,0,0,0|1,0,1]=4 1797 B6R0.1 CNNC(=O)OC MCULE-4763095719 [0,2,0,0,0,0|0,0,2]=4 1798 B6R0.1 CO/C(=N/C#N)/C MCULE-8775744872 [0,2,0,0,0,0|0,0,1]=3 1799 B6R0.1 COC(=NC#N)C MCULE-9412459367 [0,2,0,0,0,0|0,0,1]=3 1800 B6R0.1 COC(=O)C=CN MCULE-4685220707 [0,2,0,0,0,0|1,0,1]=4 1801 B6R0.1 COC(=O)CCN MCULE-2306060188 [0,2,0,0,0,0|1,0,1]=4 1802 B6R0.1 COC(=O)CCN MCULE-8245275833 [0,2,0,0,0,0|1,0,1]=4 1803 B6R0.1 COC(=O)CNN MCULE-3287579794 [0,2,0,0,0,0|0,0,2]=4 1804 B6R0.1 COC(=O)CNN MCULE-3838874166 [0,2,0,0,0,0|0,0,2]=4 1805 B6R0.1 COC(=O)CON MCULE-4799038238 [0,2,0,0,0,0|1,0,1]=4 1806 B6R0.1 COC(=O)N=C=S MCULE-2981767233 [0,2,0,0,0,0|1,0,1]=4 1807 B6R0.1 COC(C)CCN MCULE-8081876282 [0,2,0,0,0,0|1,0,1]=4 1808 B6R0.1 COC(C)CCN MCULE-8892057529 [0,2,0,0,0,0|1,0,1]=4 1809 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [0,2,0,0,0,0|2,0,0]=4 1810 B6R0.1 COCC(=O)NN MCULE-4127487886 [0,2,0,0,0,0|0,0,2]=4 1811 B6R0.1 COCC(C)CN MCULE-3223901774 [0,2,0,0,0,0|1,0,1]=4 1812 B6R0.1 COCC(O)CN MCULE-2044547388 [0,2,0,0,0,0|1,0,1]=4 1813 B6R0.1 COCC(O)CN MCULE-2145726384 [0,2,0,0,0,0|1,0,1]=4 1814 B6R0.1 COCC(O)CN MCULE-3637597204 [0,2,0,0,0,0|1,0,1]=4 1815 B6R0.1 COC[C@@H](O)CN MCULE-2116679841 [0,2,0,0,0,0|1,0,1]=4 1816 B6R0.1 COC[C@@H](O)CN MCULE-4198842123 [0,2,0,0,0,0|1,0,1]=4 1817 B6R0.1 COC[C@@H](O)CN MCULE-6330998296 [0,2,0,0,0,0|1,0,1]=4 1818 B6R0.1 COC[C@H](O)CN MCULE-1962346446 [0,2,0,0,0,0|1,0,1]=4 1819 B6R0.1 COC[C@H](O)CN MCULE-6290984425 [0,2,0,0,0,0|1,0,1]=4 1820 B6R0.1 CON(C)CCN MCULE-9318319159 [0,2,0,0,0,0|2,0,0]=4 1821 B6R0.1 CS/C(=N/C#N)/N MCULE-7388071786 [0,2,0,0,0,0|1,0,1]=4 1822 B6R0.1 CS/C(=N/C#N)/[S-] MCULE-1352898827 [0,2,0,0,0,0|0,1,1]=4 1823 B6R0.1 CS/C(=N/C#N)/[S-] MCULE-7037087467 [0,2,0,0,0,0|0,1,1]=4 1824 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [0,2,0,0,0,0|2,0,0]=4 1825 B6R0.1 CSCC(=O)NN MCULE-8151954663 [0,2,0,0,0,0|0,0,2]=4 1826 B6R0.1 C[C@@H](CO)CCN MCULE-4422620011 [0,2,0,0,0,0|1,0,1]=4 1827 B6R0.1 C[C@@H](CO)CCN MCULE-7560169391 [0,2,0,0,0,0|1,0,1]=4 1828 B6R0.1 N#CC/C(=N\O)/N MCULE-7517473784 [0,2,0,0,0,0|2,0,0]=4 1829 B6R0.1 N#CCC(=O)NN MCULE-9203133961 [0,2,0,0,0,0|0,0,2]=4 1830 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [0,2,0,0,0,0|2,0,0]=4 1831 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [0,2,0,0,0,0|2,0,0]=4 1832 B6R0.1 NCCC(=O)CN MCULE-3906468943 [0,2,0,0,0,0|1,0,1]=4 1833 B6R0.1 NCCC(=O)CN MCULE-9593243702 [0,2,0,0,0,0|1,0,1]=4 1834 B6R0.1 NCCC(O)CN MCULE-9177974477 [0,2,0,0,0,0|1,0,1]=4 1835 B6R0.1 NCCC(O)CO MCULE-2556586168 [0,2,0,0,0,0|1,0,1]=4 1836 B6R0.1 NNC(=O)CCO MCULE-6184351353 [0,2,0,0,0,0|0,0,2]=4 1837 B6R0.1 NNC(=O)CCS MCULE-9322963076 [0,2,0,0,0,0|0,0,2]=4 1838 B6R0.1 O=C=NC(=O)CCl MCULE-8927897165 [0,2,0,0,0,0|1,0,1]=4 1839 B6R0.1 ON=CC(=NO)Cl MCULE-8939091308 [0,2,0,0,0,0|2,0,0]=4 1840 B6R0.2 C/C(=C\C(=S)N)/N MCULE-9311101194 [0,2,0,0,0,0|2,0,0]=4 1841 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,2,0,0,0,0|2,0,0]=4 1842 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,2,0,0,0,0|2,0,0]=4 1843 B6R0.2 CC(=CC(=S)N)N MCULE-2731073832 [0,2,0,0,0,0|2,0,0]=4 1844 B6R0.2 CC(=NC(C)C)C MCULE-4174313497 [0,2,0,0,0,0|2,0,0]=4 1845 B6R0.2 CC(=NN(C)C)C MCULE-6010928278 [0,2,0,0,0,0|1,0,0]=3 1846 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,2,0,0,0,0|1,0,1]=4 1847 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,2,0,0,0,0|1,0,1]=4 1848 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,2,0,0,0,0|1,0,1]=4 1849 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,2,0,0,0,0|2,0,0]=4 1850 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,2,0,0,0,0|1,0,1]=4 1851 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,2,0,0,0,0|1,0,1]=4 1852 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,2,0,0,0,0|1,0,1]=4 1853 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,2,0,0,0,0|1,0,1]=4 1854 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,2,0,0,0,0|1,0,1]=4 1855 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,2,0,0,0,0|1,0,1]=4 1856 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,2,0,0,0,0|0,0,2]=4 1857 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,2,0,0,0,0|0,0,2]=4 1858 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,2,0,0,0,0|0,0,2]=4 1859 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,2,0,0,0,0|0,0,2]=4 1860 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,2,0,0,0,0|0,0,2]=4 1861 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,2,0,0,0,0|2,0,0]=4 1862 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,2,0,0,0,0|2,0,0]=4 1863 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,2,0,0,0,0|2,0,0]=4 1864 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,2,0,0,0,0|2,0,0]=4 1865 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,2,0,0,0,0|1,0,1]=4 1866 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,2,0,0,0,0|1,0,1]=4 1867 B6R0.2 CC(O)CN(C)C MCULE-6531222530 [0,2,0,0,0,0|1,0,1]=4 1868 B6R0.2 CC(O)CN(C)C MCULE-7127620454 [0,2,0,0,0,0|1,0,1]=4 1869 B6R0.2 CC(O)CN(C)N MCULE-6197492770 [0,2,0,0,0,0|0,0,2]=4 1870 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,2,0,0,0,0|2,0,0]=4 1871 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,2,0,0,0,0|2,0,0]=4 1872 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,2,0,0,0,0|2,0,0]=4 1873 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,2,0,0,0,0|2,0,0]=4 1874 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,2,0,0,0,0|2,0,0]=4 1875 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,2,0,0,0,0|2,0,0]=4 1876 B6R0.2 C[C@@H](O)CN(C)C MCULE-3114172439 [0,2,0,0,0,0|1,0,1]=4 1877 B6R0.2 C[C@@H](O)CN(C)C MCULE-9927679143 [0,2,0,0,0,0|1,0,1]=4 1878 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,2,0,0,0,0|2,0,0]=4 1879 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,2,0,0,0,0|2,0,0]=4 1880 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,2,0,0,0,0|2,0,0]=4 1881 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,2,0,0,0,0|2,0,0]=4 1882 B6R0.2 C[C@H](O)CN(C)C MCULE-4542650002 [0,2,0,0,0,0|1,0,1]=4 1883 B6R0.2 C[C@H](O)CN(C)C MCULE-4717676519 [0,2,0,0,0,0|1,0,1]=4 1884 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,2,0,0,0,0|2,0,0]=4 1885 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,2,0,0,0,0|2,0,0]=4 1886 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,2,0,0,0,0|2,0,0]=4 1887 B6R0.3 C/C(=N/O)/C(F)F MCULE-3949329349 [0,2,0,0,0,0|2,0,0]=4 1888 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,2,0,0,0,0|2,0,0]=4 1889 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,2,0,0,0,0|2,0,0]=4 1890 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,2,0,0,0,0|2,0,0]=4 1891 B6R0.3 C=C(C)C(=O)NC MCULE-9515227181 [0,2,0,0,0,0|2,0,0]=4 1892 B6R0.3 C=C(C)C(=O)NN MCULE-5114453960 [0,2,0,0,0,0|0,0,2]=4 1893 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,2,0,0,0,0|2,0,0]=4 1894 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,2,0,0,0,0|2,0,0]=4 1895 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,2,0,0,0,0|2,0,0]=4 1896 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,2,0,0,0,0|2,0,0]=4 1897 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,2,0,0,0,0|2,0,0]=4 1898 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,2,0,0,0,0|2,0,0]=4 1899 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,2,0,0,0,0|2,0,0]=4 1900 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,2,0,0,0,0|2,0,0]=4 1901 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,2,0,0,0,0|2,0,0]=4 1902 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,2,0,0,0,0|2,0,0]=4 1903 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,2,0,0,0,0|2,0,0]=4 1904 B6R0.3 CC(=C(Br)CN)C MCULE-2433306744 [0,2,0,0,0,0|2,0,0]=4 1905 B6R0.3 CC(=C(C)CO)C MCULE-2852322197 [0,2,0,0,0,0|2,0,0]=4 1906 B6R0.3 CC(=C(F)CN)C MCULE-8503104664 [0,2,0,0,0,0|2,0,0]=4 1907 B6R0.3 CC(=C(F)CN)C MCULE-8932417146 [0,2,0,0,0,0|2,0,0]=4 1908 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,2,0,0,0,0|2,0,0]=4 1909 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,2,0,0,0,0|1,0,0]=3 1910 B6R0.3 CC(=NO)C(F)F MCULE-8246122811 [0,2,0,0,0,0|2,0,0]=4 1911 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [0,2,0,0,0,0|1,0,1]=4 1912 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [0,2,0,0,0,0|1,0,1]=4 1913 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [0,2,0,0,0,0|1,0,1]=4 1914 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [0,2,0,0,0,0|1,0,1]=4 1915 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,2,0,0,0,0|1,0,1]=4 1916 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,2,0,0,0,0|1,0,1]=4 1917 B6R0.3 CC(C)/C(=N/O)/Cl MCULE-8655360746 [0,2,0,0,0,0|2,0,0]=4 1918 B6R0.3 CC(C)/C(=N/O)/N MCULE-4474697690 [0,2,0,0,0,0|2,0,0]=4 1919 B6R0.3 CC(C)C(=N)NN MCULE-9932640155 [0,2,0,0,0,0|1,0,1]=4 1920 B6R0.3 CC(C)C(=O)CN MCULE-6091425997 [0,2,0,0,0,0|1,0,1]=4 1921 B6R0.3 CC(C)C(=O)CN MCULE-7368122425 [0,2,0,0,0,0|1,0,1]=4 1922 B6R0.3 CC(C)C(=O)NN MCULE-1262854337 [0,2,0,0,0,0|0,0,2]=4 1923 B6R0.3 CC(C)C(O)CN MCULE-3560246402 [0,2,0,0,0,0|1,0,1]=4 1924 B6R0.3 CC(C)C(O)CN MCULE-9420842607 [0,2,0,0,0,0|1,0,1]=4 1925 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,2,0,0,0,0|1,0,1]=4 1926 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,2,0,0,0,0|1,0,1]=4 1927 B6R0.3 CC(CO)N(C)N MCULE-8306784573 [0,2,0,0,0,0|0,0,2]=4 1928 B6R0.3 CC(N)C(C)CO MCULE-8179225289 [0,2,0,0,0,0|1,0,1]=4 1929 B6R0.3 CC(N)C(O)CO MCULE-8191126136 [0,2,0,0,0,0|1,0,1]=4 1930 B6R0.3 CC(O)/C(=N/O)/N MCULE-6135321689 [0,2,0,0,0,0|1,0,1]=4 1931 B6R0.3 CC(O)C(=O)NN MCULE-4510079670 [0,2,0,0,0,0|0,0,2]=4 1932 B6R0.3 CC(O)C(C)CN MCULE-5251700993 [0,2,0,0,0,0|1,0,1]=4 1933 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [0,2,0,0,0,0|1,0,1]=4 1934 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [0,2,0,0,0,0|1,0,1]=4 1935 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [0,2,0,0,0,0|1,0,1]=4 1936 B6R0.3 CC(O)C(O)CN MCULE-6591390331 [0,2,0,0,0,0|1,0,1]=4 1937 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,2,0,0,0,0|1,0,1]=4 1938 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,2,0,0,0,0|1,0,1]=4 1939 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,2,0,0,0,0|1,0,1]=4 1940 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,2,0,0,0,0|1,0,1]=4 1941 B6R0.3 CC=C(C)B(O)O MCULE-7915552360 [0,2,0,0,0,0|2,0,0]=4 1942 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,2,0,0,0,0|2,0,0]=4 1943 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,2,0,0,0,0|2,0,0]=4 1944 B6R0.3 CCC(=O)C(C)N MCULE-5434634349 [0,2,0,0,0,0|1,0,1]=4 1945 B6R0.3 CCC(=O)C(C)N MCULE-8408562669 [0,2,0,0,0,0|1,0,1]=4 1946 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,2,0,0,0,0|2,0,0]=4 1947 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,2,0,0,0,0|2,0,0]=4 1948 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,2,0,0,0,0|2,0,0]=4 1949 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,2,0,0,0,0|2,0,0]=4 1950 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,2,0,0,0,0|1,0,1]=4 1951 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,2,0,0,0,0|1,0,1]=4 1952 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,2,0,0,0,0|1,0,1]=4 1953 B6R0.3 CCC(O)C(C)N MCULE-4027170059 [0,2,0,0,0,0|1,0,1]=4 1954 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,2,0,0,0,0|2,0,0]=4 1955 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,2,0,0,0,0|2,0,0]=4 1956 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,2,0,0,0,0|2,0,0]=4 1957 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,2,0,0,0,0|2,0,0]=4 1958 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,2,0,0,0,0|1,0,1]=4 1959 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,2,0,0,0,0|1,0,1]=4 1960 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,2,0,0,0,0|2,0,0]=4 1961 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,2,0,0,0,0|2,0,0]=4 1962 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,2,0,0,0,0|2,0,0]=4 1963 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,2,0,0,0,0|2,0,0]=4 1964 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,2,0,0,0,0|2,0,0]=4 1965 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,2,0,0,0,0|2,0,0]=4 1966 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,2,0,0,0,0|1,0,1]=4 1967 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,2,0,0,0,0|1,0,1]=4 1968 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,2,0,0,0,0|1,0,1]=4 1969 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,2,0,0,0,0|1,0,1]=4 1970 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,2,0,0,0,0|1,0,1]=4 1971 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,2,0,0,0,0|1,0,1]=4 1972 B6R0.3 CN(C)/C(=N/O)/N MCULE-3547286812 [0,2,0,0,0,0|2,0,0]=4 1973 B6R0.3 CN(C)/C(=N\O)/N MCULE-4834817007 [0,2,0,0,0,0|2,0,0]=4 1974 B6R0.3 CN(C)C(=O)CN MCULE-2195526798 [0,2,0,0,0,0|1,0,1]=4 1975 B6R0.3 CN(C)C(=O)CN MCULE-4999236521 [0,2,0,0,0,0|1,0,1]=4 1976 B6R0.3 CN(C)C(=O)CN MCULE-7091962350 [0,2,0,0,0,0|1,0,1]=4 1977 B6R0.3 CN(C)C(=O)NN MCULE-1456206497 [0,2,0,0,0,0|0,0,2]=4 1978 B6R0.3 CN(C)C(=S)NN MCULE-8404262806 [0,2,0,0,0,0|0,1,1]=4 1979 B6R0.3 CN(N)C(=O)NO MCULE-9258932516 [0,2,0,0,0,0|1,0,1]=4 1980 B6R0.3 CN(O)C(=O)CN MCULE-6904940710 [0,2,0,0,0,0|1,0,1]=4 1981 B6R0.3 CN(O)C(=O)CN MCULE-7352809793 [0,2,0,0,0,0|1,0,1]=4 1982 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,2,0,0,0,0|2,0,0]=4 1983 B6R0.3 CNC(=O)C(C)N MCULE-2283707986 [0,2,0,0,0,0|1,0,1]=4 1984 B6R0.3 CNC(=O)C(C)N MCULE-2976078375 [0,2,0,0,0,0|1,0,1]=4 1985 B6R0.3 CNC(=O)C(C)N MCULE-5544490576 [0,2,0,0,0,0|1,0,1]=4 1986 B6R0.3 CNC(=O)C(C)N MCULE-8815196909 [0,2,0,0,0,0|1,0,1]=4 1987 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,2,0,0,0,0|1,0,1]=4 1988 B6R0.3 CNC(=O)[C@@H](C)N MCULE-4498032248 [0,2,0,0,0,0|1,0,1]=4 1989 B6R0.3 CNC(=O)[C@@H](C)N MCULE-6909082129 [0,2,0,0,0,0|1,0,1]=4 1990 B6R0.3 CNC(=O)[C@@H](C)N MCULE-7642558844 [0,2,0,0,0,0|1,0,1]=4 1991 B6R0.3 CNC(=O)[C@@H](C)N MCULE-8543898121 [0,2,0,0,0,0|1,0,1]=4 1992 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,2,0,0,0,0|1,0,1]=4 1993 B6R0.3 CNC(=O)[C@H](C)N MCULE-5297375743 [0,2,0,0,0,0|1,0,1]=4 1994 B6R0.3 CNC(=O)[C@H](C)N MCULE-6807150828 [0,2,0,0,0,0|1,0,1]=4 1995 B6R0.3 CNC(=O)[C@H](C)N MCULE-8365508630 [0,2,0,0,0,0|1,0,1]=4 1996 B6R0.3 CNC(=O)[C@H](C)N MCULE-9773818316 [0,2,0,0,0,0|1,0,1]=4 1997 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,2,0,0,0,0|1,0,1]=4 1998 B6R0.3 CNC(=S)N(C)N MCULE-5065441902 [0,2,0,0,0,0|0,1,1]=4 1999 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,2,0,0,0,0|2,0,0]=4 2000 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,2,0,0,0,0|2,0,0]=4 2001 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,2,0,0,0,0|2,0,0]=4 2002 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,2,0,0,0,0|2,0,0]=4 2003 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,2,0,0,0,0|2,0,0]=4 2004 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,2,0,0,0,0|2,0,0]=4 2005 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,2,0,0,0,0|2,0,0]=4 2006 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,2,0,0,0,0|2,0,0]=4 2007 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,2,0,0,0,0|2,0,0]=4 2008 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,2,0,0,0,0|2,0,0]=4 2009 B6R0.3 COC(=O)C(=N)N MCULE-3129647301 [0,2,0,0,0,0|1,0,1]=4 2010 B6R0.3 COC(=O)C(=N)N MCULE-4942451868 [0,2,0,0,0,0|1,0,1]=4 2011 B6R0.3 COC(=O)C(=S)N MCULE-8900860523 [0,2,0,0,0,0|1,0,1]=4 2012 B6R0.3 COC(=O)C(C)N MCULE-6823731158 [0,2,0,0,0,0|1,0,1]=4 2013 B6R0.3 COC(=O)C(C)N MCULE-7003387212 [0,2,0,0,0,0|1,0,1]=4 2014 B6R0.3 COC(=O)C(C)N MCULE-8331503444 [0,2,0,0,0,0|1,0,1]=4 2015 B6R0.3 COC(=O)C(C)N MCULE-8860467123 [0,2,0,0,0,0|1,0,1]=4 2016 B6R0.3 COC(=O)N(C)N MCULE-4131925989 [0,2,0,0,0,0|0,0,2]=4 2017 B6R0.3 COC(=O)[C@@H](C)N MCULE-6142127864 [0,2,0,0,0,0|1,0,1]=4 2018 B6R0.3 COC(=O)[C@@H](C)N MCULE-6606835410 [0,2,0,0,0,0|1,0,1]=4 2019 B6R0.3 COC(=O)[C@@H](C)N MCULE-7979979694 [0,2,0,0,0,0|1,0,1]=4 2020 B6R0.3 COC(=O)[C@@H](C)N MCULE-9290287586 [0,2,0,0,0,0|1,0,1]=4 2021 B6R0.3 COC(=O)[C@H](C)N MCULE-1665306037 [0,2,0,0,0,0|1,0,1]=4 2022 B6R0.3 COC(=O)[C@H](C)N MCULE-2941352505 [0,2,0,0,0,0|1,0,1]=4 2023 B6R0.3 COC(=O)[C@H](C)N MCULE-5314047552 [0,2,0,0,0,0|1,0,1]=4 2024 B6R0.3 COC(=O)[C@H](C)N MCULE-7930428859 [0,2,0,0,0,0|1,0,1]=4 2025 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,2,0,0,0,0|1,0,1]=4 2026 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [0,2,0,0,0,0|1,0,1]=4 2027 B6R0.3 COC(C)[C@@H](C)N MCULE-2029978265 [0,2,0,0,0,0|1,0,1]=4 2028 B6R0.3 COC(C)[C@@H](C)N MCULE-4755003017 [0,2,0,0,0,0|1,0,1]=4 2029 B6R0.3 COC(C)[C@@H](C)N MCULE-9820337483 [0,2,0,0,0,0|1,0,1]=4 2030 B6R0.3 COC(C)[C@@H](C)N MCULE-9820818995 [0,2,0,0,0,0|1,0,1]=4 2031 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,2,0,0,0,0|1,0,1]=4 2032 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,2,0,0,0,0|1,0,1]=4 2033 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,2,0,0,0,0|1,0,1]=4 2034 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,2,0,0,0,0|1,0,1]=4 2035 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [0,2,0,0,0,0|1,0,1]=4 2036 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [0,2,0,0,0,0|1,0,1]=4 2037 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [0,2,0,0,0,0|1,0,1]=4 2038 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [0,2,0,0,0,0|1,0,1]=4 2039 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [0,2,0,0,0,0|1,0,1]=4 2040 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [0,2,0,0,0,0|1,0,1]=4 2041 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,2,0,0,0,0|1,0,1]=4 2042 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,2,0,0,0,0|1,0,1]=4 2043 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,2,0,0,0,0|1,0,1]=4 2044 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,2,0,0,0,0|1,0,1]=4 2045 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,2,0,0,0,0|1,0,1]=4 2046 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,2,0,0,0,0|1,0,1]=4 2047 B6R0.3 C[C@H](N)C(=O)CCl MCULE-1387458909 [0,2,0,0,0,0|1,0,1]=4 2048 B6R0.3 C[C@H](N)C(=O)CCl MCULE-3307546885 [0,2,0,0,0,0|1,0,1]=4 2049 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [0,2,0,0,0,0|1,0,1]=4 2050 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [0,2,0,0,0,0|1,0,1]=4 2051 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [0,2,0,0,0,0|1,0,1]=4 2052 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [0,2,0,0,0,0|1,0,1]=4 2053 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [0,2,0,0,0,0|1,0,1]=4 2054 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,2,0,0,0,0|1,0,1]=4 2055 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,2,0,0,0,0|1,0,1]=4 2056 B6R0.3 N/C(=N\O)/C(Cl)Cl MCULE-7826685582 [0,2,0,0,0,0|2,0,0]=4 2057 B6R0.3 N/C(=N\O)/C(F)F MCULE-3144106869 [0,2,0,0,0,0|2,0,0]=4 2058 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,2,0,0,0,0|2,0,0]=4 2059 B6R0.3 NC(=S)/C(=N/O)/N MCULE-1544637781 [0,2,0,0,0,0|2,0,0]=4 2060 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,2,0,0,0,0|2,0,0]=4 2061 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,2,0,0,0,0|2,0,0]=4 2062 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,2,0,0,0,0|2,0,0]=4 2063 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,2,0,0,0,0|2,0,0]=4 2064 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,2,0,0,0,0|2,0,0]=4 2065 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,2,0,0,0,0|2,0,0]=4 2066 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,2,0,0,0,0|2,0,0]=4 2067 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,2,0,0,0,0|2,0,0]=4 2068 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,2,0,0,0,0|2,0,0]=4 2069 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,2,0,0,0,0|2,0,0]=4 2070 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,2,0,0,0,0|2,0,0]=4 2071 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,2,0,0,0,0|2,0,0]=4 2072 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,2,0,0,0,0|2,0,0]=4 2073 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,2,0,0,0,0|2,0,0]=4 2074 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,2,0,0,0,0|2,0,0]=4 2075 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,2,0,0,0,0|2,0,0]=4 2076 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,2,0,0,0,0|2,0,0]=4 2077 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,2,0,0,0,0|2,0,0]=4 2078 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,2,0,0,0,0|2,0,0]=4 2079 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,2,0,0,0,0|1,0,1]=4 2080 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,2,0,0,0,0|1,0,1]=4 2081 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,2,0,0,0,0|2,0,0]=4 2082 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,2,0,0,0,0|2,0,0]=4 2083 B6R0.3 NCC(O)C(F)F MCULE-3263599594 [0,2,0,0,0,0|1,0,1]=4 2084 B6R0.3 NCC(O)C(F)F MCULE-6925242752 [0,2,0,0,0,0|1,0,1]=4 2085 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,2,0,0,0,0|2,0,0]=4 2086 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,2,0,0,0,0|2,0,0]=4 2087 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,2,0,0,0,0|2,0,0]=4 2088 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,2,0,0,0,0|2,0,0]=4 2089 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,2,0,0,0,0|2,0,0]=4 2090 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,2,0,0,0,0|2,0,0]=4 2091 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,2,0,0,0,0|2,0,0]=4 2092 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,2,0,0,0,0|2,0,0]=4 2093 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,2,0,0,0,0|2,0,0]=4 2094 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,2,0,0,0,0|2,0,0]=4 2095 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,2,0,0,0,0|2,0,0]=4 2096 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,2,0,0,0,0|2,0,0]=4 2097 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,2,0,0,0,0|2,0,0]=4 2098 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,2,0,0,0,0|2,0,0]=4 2099 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,2,0,0,0,0|2,0,0]=4 2100 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,2,0,0,0,0|2,0,0]=4 2101 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,2,0,0,0,0|2,0,0]=4 2102 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,2,0,0,0,0|2,0,0]=4 2103 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,2,0,0,0,0|2,0,0]=4 2104 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,2,0,0,0,0|2,0,0]=4 2105 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,2,0,0,0,0|2,0,0]=4 2106 B6R0.3 NNC(=O)C(F)F MCULE-4217828449 [0,2,0,0,0,0|0,0,2]=4 2107 B6R0.3 NNC(=O)C(F)F MCULE-5359326999 [0,2,0,0,0,0|0,0,2]=4 2108 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,2,0,0,0,0|2,0,0]=4 2109 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,2,0,0,0,0|2,0,0]=4 2110 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,2,0,0,0,0|2,0,0]=4 2111 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,2,0,0,0,0|2,0,0]=4 2112 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,2,0,0,0,0|2,0,0]=4 2113 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,2,0,0,0,0|2,0,0]=4 2114 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,2,0,0,0,0|2,0,0]=4 2115 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,2,0,0,0,0|2,0,0]=4 2116 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,2,0,0,0,0|2,0,0]=4 2117 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,2,0,0,0,0|2,0,0]=4 2118 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,2,0,0,0,0|2,0,0]=4 2119 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,2,0,0,0,0|2,0,0]=4 2120 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,2,0,0,0,0|2,0,0]=4 2121 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,2,0,0,0,0|2,0,0]=4 2122 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,2,0,0,0,0|2,0,0]=4 2123 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,2,0,0,0,0|2,0,0]=4 2124 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,2,0,0,0,0|2,0,0]=4 2125 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,2,0,0,0,0|2,0,0]=4 2126 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,2,0,0,0,0|2,0,0]=4 2127 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,2,0,0,0,0|2,0,0]=4 2128 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,2,0,0,0,0|2,0,0]=4 2129 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,2,0,0,0,0|2,0,0]=4 2130 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,2,0,0,0,0|2,0,0]=4 2131 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,2,0,0,0,0|2,0,0]=4 2132 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,2,0,0,0,0|2,0,0]=4 2133 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,2,0,0,0,0|2,0,0]=4 2134 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,2,0,0,0,0|2,0,0]=4 2135 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,2,0,0,0,0|2,0,0]=4 2136 B6R0.4 C=C(C)CN=C=S MCULE-8890105593 [0,2,0,0,0,0|2,0,0]=4 2137 B6R0.4 C=C(C)CNCC MCULE-2237759977 [0,2,0,0,0,0|2,0,0]=4 2138 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,2,0,0,0,0|2,0,0]=4 2139 B6R0.4 C=CON=C(C)C MCULE-5340817509 [0,2,0,0,0,0|2,0,0]=4 2140 B6R0.4 CC(=CCCN)C MCULE-9185531904 [0,2,0,0,0,0|2,0,0]=4 2141 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [0,2,0,0,0,0|1,0,0]=3 2142 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,2,0,0,0,0|0,0,2]=4 2143 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,2,0,0,0,0|1,0,1]=4 2144 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,2,0,0,0,0|1,0,1]=4 2145 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,2,0,0,0,0|1,0,1]=4 2146 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,2,0,0,0,0|1,0,1]=4 2147 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,2,0,0,0,0|1,0,1]=4 2148 B6R0.4 CC(O)CCCN MCULE-3754805134 [0,2,0,0,0,0|1,0,1]=4 2149 B6R0.4 CC(O)CN=N#N MCULE-3020215858 [0,2,0,0,0,0|0,0,2]=4 2150 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,2,0,0,0,0|1,0,1]=4 2151 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,2,0,0,0,0|1,0,1]=4 2152 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,2,0,0,0,0|2,0,0]=4 2153 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,2,0,0,0,0|2,0,0]=4 2154 B6R0.4 CCNCC(C)O MCULE-5078068369 [0,2,0,0,0,0|1,0,1]=4 2155 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [0,2,0,0,0,0|1,0,1]=4 2156 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [0,2,0,0,0,0|1,0,1]=4 2157 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [0,2,0,0,0,0|1,0,1]=4 2158 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [0,2,0,0,0,0|1,0,1]=4 2159 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,2,0,0,0,0|2,0,0]=4 2160 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,2,0,0,0,0|2,0,0]=4 2161 B6R0.4 CNCCC(C)O MCULE-1615526002 [0,2,0,0,0,0|1,0,1]=4 2162 B6R0.4 CON=CC(=O)O MCULE-6800819509 [0,2,0,0,0,0|2,0,0]=4 2163 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [0,2,0,0,0,0|1,0,1]=4 2164 B6R0.4 N/N=C/NC(=O)N MCULE-6272806279 [0,2,0,0,0,0|1,0,1]=4 2165 B6R0.4 N/N=C/NC(=O)N MCULE-7518775080 [0,2,0,0,0,0|1,0,1]=4 2166 B6R0.4 N/N=C/NC(=S)N MCULE-4559471947 [0,2,0,0,0,0|1,1,0]=4 2167 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [0,2,0,0,0,0|2,0,0]=4 2168 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [0,2,0,0,0,0|2,0,0]=4 2169 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [0,2,0,0,0,0|2,0,0]=4 2170 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [0,2,0,0,0,0|2,0,0]=4 2171 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,2,0,0,0,0|2,0,0]=4 2172 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,2,0,0,0,0|2,0,0]=4 2173 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,2,0,0,0,0|2,0,0]=4 2174 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,2,0,0,0,0|2,0,0]=4 2175 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,2,0,0,0,0|2,0,0]=4 2176 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [0,2,0,0,0,0|2,0,0]=4 2177 B6R0.5 CC(C)(O)CCN MCULE-1233177150 [0,2,0,0,0,0|1,0,1]=4 2178 B6R0.5 CC(C)(O)CNN MCULE-7127432403 [0,2,0,0,0,0|0,0,2]=4 2179 B6R0.5 CC(C)(O)CNN MCULE-8281516711 [0,2,0,0,0,0|0,0,2]=4 2180 B6R0.5 CC(C)(O)CON MCULE-1954965804 [0,2,0,0,0,0|1,0,1]=4 2181 B6R0.5 CC(C)(O)CON MCULE-9916686271 [0,2,0,0,0,0|1,0,1]=4 2182 B6R0.5 CNCC(C)(C)O MCULE-8014545354 [0,2,0,0,0,0|1,0,1]=4 2183 B6R0.5 CNCC(C)(C)O MCULE-8693265107 [0,2,0,0,0,0|1,0,1]=4 2184 B6R0.8 C=CC(C)(O)CN MCULE-2921164232 [0,2,0,0,0,0|1,0,1]=4 2185 B6R0.8 CC(C)(CN)CO MCULE-5342400231 [0,2,0,0,0,0|1,0,1]=4 2186 B6R0.8 CC(C)(CO)ON MCULE-7229580612 [0,2,0,0,0,0|1,0,1]=4 2187 B6R0.8 CC(C)(CO)ON MCULE-9993526575 [0,2,0,0,0,0|1,0,1]=4 2188 B6R0.8 CC(O)(CN)CO MCULE-2184919268 [0,2,0,0,0,0|1,0,1]=4 2189 B6R0.8 CCC(C)(O)CN MCULE-2912898926 [0,2,0,0,0,0|1,0,1]=4 2190 B6R0.8 COC(C)(C)CN MCULE-3456895046 [0,2,0,0,0,0|1,0,1]=4 2191 B6R0.8 COC(C)(C)CN MCULE-4113959368 [0,2,0,0,0,0|1,0,1]=4 2192 B6R0.8 COC(C)(C)CN MCULE-7074369009 [0,2,0,0,0,0|1,0,1]=4 2193 B6R0.8 COC(C)(C)ON MCULE-9489606516 [0,2,0,0,0,0|1,0,1]=4 2194 B6R0.9 C/N=C(/CO)\NC MCULE-6025664069 [0,2,0,0,0,0|1,0,0]=3 2195 B6R0.9 C/N=C(\NC)/SC MCULE-5887112308 [0,2,0,0,0,0|1,1,0]=4 2196 B6R0.9 C/N=C(\NC)/SC MCULE-7506115046 [0,2,0,0,0,0|1,1,0]=4 2197 B6R0.9 CCC(=CO)CC MCULE-4973169590 [0,2,0,0,0,0|2,0,0]=4 2198 B6R0.9 CCC(=CO)CC MCULE-8459100577 [0,2,0,0,0,0|2,0,0]=4 2199 B6R0.9 CCC(CN)CO MCULE-5933181303 [0,2,0,0,0,0|1,0,1]=4 2200 B6R0.9 CCC(CN)OC MCULE-2981477258 [0,2,0,0,0,0|1,0,1]=4 2201 B6R0.9 CCC(CN)OC MCULE-5102774189 [0,2,0,0,0,0|1,0,1]=4 2202 B6R0.9 CN=C(NC)NC MCULE-9588381901 [0,2,0,0,0,0|2,0,0]=4 2203 B6R0.9 CNC(=NN)NC MCULE-4946796362 [0,2,0,0,0,0|1,0,0]=3 2204 B6R0.9 CNC(=NN)NC MCULE-9911808922 [0,2,0,0,0,0|1,0,0]=3 2205 B6R0.9 CNC(CN)CO MCULE-7006149115 [0,2,0,0,0,0|1,0,1]=4 2206 B6R0.9 COC(CN)CN MCULE-3870266689 [0,2,0,0,0,0|1,0,1]=4 2207 B6R0.9 COC(CN)CO MCULE-2486586573 [0,2,0,0,0,0|1,0,1]=4 2208 B6R0.9 COC(CN)CO MCULE-3908535917 [0,2,0,0,0,0|1,0,1]=4 2209 B6R0.9 COC(CN)OC MCULE-1003844122 [0,2,0,0,0,0|1,0,1]=4 2210 B6R0.9 CO[C@H](CN)CO MCULE-6065862053 [0,2,0,0,0,0|1,0,1]=4 2211 B6R0.9 CS/C(=N\N)/NN MCULE-1127876112 [0,2,0,0,0,0|1,0,0]=3 2212 B6R0.9 CS/C(=N\N)/NN MCULE-9055186024 [0,2,0,0,0,0|1,0,0]=3 2213 B6R0.9 NN=C(NN)NN MCULE-2612648200 [0,2,0,0,0,0|2,0,0]=4 2214 B6R0.9 NN=C(NN)NN MCULE-8111884423 [0,2,0,0,0,0|2,0,0]=4 2215 B6R0.9 OCC(=NO)CO MCULE-1131100831 [0,2,0,0,0,0|1,0,0]=3 2216 B6R0.7 CC(=O)C(C)(C)N MCULE-8236547032 [0,2,0,0,0,0|1,0,1]=4 2217 B6R0.7 CC(=O)C(C)(C)N MCULE-9736681939 [0,2,0,0,0,0|1,0,1]=4 2218 B6R0.7 CC(C)(N)C(=O)O MCULE-4254251799 [0,2,0,0,0,0|2,0,0]=4 2219 B6R0.7 CC(C)(N)C(=O)O MCULE-6175880842 [0,2,0,0,0,0|2,0,0]=4 2220 B6R0.7 CC(C)(O)C(=N)N MCULE-4499579707 [0,2,0,0,0,0|1,0,1]=4 2221 B6R0.7 CC(C)(O)C(=N)N MCULE-5382519131 [0,2,0,0,0,0|1,0,1]=4 2222 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [0,2,0,0,0,0|1,0,1]=4 2223 B6R0.7 CC(N)C(C)(C)O MCULE-4039964918 [0,2,0,0,0,0|1,0,1]=4 2224 B6R0.7 CC(O)C(C)(C)N MCULE-3194936121 [0,2,0,0,0,0|1,0,1]=4 2225 B6R0.7 CC(O)C(C)(C)N MCULE-6694352146 [0,2,0,0,0,0|1,0,1]=4 2226 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-3417639330 [0,2,0,0,0,0|1,0,1]=4 2227 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-4565477059 [0,2,0,0,0,0|1,0,1]=4 2228 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-6545041854 [0,2,0,0,0,0|1,0,1]=4 2229 B6R0.7 C[C@@H](N)C(C)(C)O MCULE-7923052614 [0,2,0,0,0,0|1,0,1]=4 2230 B6R0.7 C[C@H](N)C(C)(C)O MCULE-2544089301 [0,2,0,0,0,0|1,0,1]=4 2231 B6R0.7 C[C@H](N)C(C)(C)O MCULE-3586309450 [0,2,0,0,0,0|1,0,1]=4 2232 B6R0.7 C[C@H](N)C(C)(C)O MCULE-3878079754 [0,2,0,0,0,0|1,0,1]=4 2233 B6R0.7 C[C@H](N)C(C)(C)O MCULE-6958997632 [0,2,0,0,0,0|1,0,1]=4 2234 B4R1.1 C1CNC1 MCULE-2817120281 [1,0,0,1,0,0|1,0,1]=4 2235 B4R1.1 C1CNC1 MCULE-5348168818 [1,0,0,1,0,0|1,0,1]=4 2236 B4R1.2 CC1CN1 MCULE-2953452695 [1,0,0,1,0,0|1,0,1]=4 2237 B4R1.2 NC1CC1 MCULE-1933360330 [1,0,0,1,0,0|1,0,1]=4 2238 B4R1.2 NC1CC1 MCULE-6187070220 [1,0,0,1,0,0|1,0,1]=4 2239 B4R1.2 [C@@H]1(CN1)C MCULE-4079798985 [1,0,0,1,0,0|1,0,1]=4 2240 B6R1.2 BrC1=CN=CO1 MCULE-5651145478 [0,1,0,1,0,0|2,0,0]=4 2241 B6R1.2 BrC1=CN=CO1 MCULE-8656599411 [0,1,0,1,0,0|2,0,0]=4 2242 B6R1.2 BrC1=CNC=N1 MCULE-7584078883 [0,1,0,1,0,0|1,0,1]=4 2243 B6R1.2 BrC1=CNN=C1 MCULE-2600716492 [0,1,0,1,0,0|1,0,1]=4 2244 B6R1.2 BrC1=COC=N1 MCULE-3389578396 [0,1,0,1,0,0|2,0,0]=4 2245 B6R1.2 BrC1=COC=N1 MCULE-5006735396 [0,1,0,1,0,0|2,0,0]=4 2246 B6R1.2 BrC1=NC=CO1 MCULE-2104886923 [0,1,0,1,0,0|2,0,0]=4 2247 B6R1.2 BrC1=NC=CO1 MCULE-2745860961 [0,1,0,1,0,0|2,0,0]=4 2248 B6R1.2 BrC1=NN=CO1 MCULE-9908278798 [0,1,0,1,0,0|1,0,1]=4 2249 B6R1.2 BrC1=NNN=N1 MCULE-1337477096 [0,1,0,1,0,0|2,0,0]=4 2250 B6R1.2 C1(CCNC1)O MCULE-2676539647 [0,1,0,1,0,0|1,0,1]=4 2251 B6R1.2 C1(CCNC1)O MCULE-4228466615 [0,1,0,1,0,0|1,0,1]=4 2252 B6R1.2 C=C1CCNC1 MCULE-7982953073 [0,1,0,1,0,0|2,0,0]=4 2253 B6R1.2 C=C1CCNC1 MCULE-8428731599 [0,1,0,1,0,0|2,0,0]=4 2254 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [0,1,0,1,0,0|2,0,0]=4 2255 B6R1.2 CC1=CC=NN1 MCULE-1457877312 [0,1,0,1,0,0|2,0,0]=4 2256 B6R1.2 CC1=CC=NN1 MCULE-3441401586 [0,1,0,1,0,0|2,0,0]=4 2257 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [0,1,0,1,0,0|1,0,1]=4 2258 B6R1.2 CC1=CC=NS1 MCULE-4163670775 [0,1,0,1,0,0|2,0,0]=4 2259 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,1,0,1,0,0|2,0,0]=4 2260 B6R1.2 CC1=CCNC1 MCULE-5892113847 [0,1,0,1,0,0|2,0,0]=4 2261 B6R1.2 CC1=CCNC1 MCULE-9225220351 [0,1,0,1,0,0|2,0,0]=4 2262 B6R1.2 CC1=CN=CO1 MCULE-4609626879 [0,1,0,1,0,0|1,0,0]=3 2263 B6R1.2 CC1=CN=CS1 MCULE-8510377651 [0,1,0,1,0,0|1,1,0]=4 2264 B6R1.2 CC1=CN=NS1 MCULE-3290022680 [0,1,0,1,0,0|0,1,1]=4 2265 B6R1.2 CC1=CNC=C1 MCULE-9114555776 [0,1,0,1,0,0|2,0,0]=4 2266 B6R1.2 CC1=CNC=N1 MCULE-9375719449 [0,1,0,1,0,0|1,0,0]=3 2267 B6R1.2 CC1=CNN=C1 MCULE-2732751720 [0,1,0,1,0,0|1,0,0]=3 2268 B6R1.2 CC1=CNN=C1 MCULE-3538959589 [0,1,0,1,0,0|1,0,0]=3 2269 B6R1.2 CC1=CNN=N1 MCULE-2819973344 [0,1,0,1,0,0|1,0,0]=3 2270 B6R1.2 CC1=COC=C1 MCULE-1597223627 [0,1,0,1,0,0|2,0,0]=4 2271 B6R1.2 CC1=COC=N1 MCULE-3497089982 [0,1,0,1,0,0|1,0,0]=3 2272 B6R1.2 CC1=CON=C1 MCULE-4312100714 [0,1,0,1,0,0|1,0,1]=4 2273 B6R1.2 CC1=CSC=N1 MCULE-3711308900 [0,1,0,1,0,0|1,1,0]=4 2274 B6R1.2 CC1=CSN=C1 MCULE-2603580928 [0,1,0,1,0,0|2,0,0]=4 2275 B6R1.2 CC1=CSN=N1 MCULE-9634894252 [0,1,0,1,0,0|0,1,1]=4 2276 B6R1.2 CC1=NC=CN1 MCULE-4484196639 [0,1,0,1,0,0|2,0,0]=4 2277 B6R1.2 CC1=NC=CO1 MCULE-7894525701 [0,1,0,1,0,0|1,0,0]=3 2278 B6R1.2 CC1=NC=CS1 MCULE-6863408892 [0,1,0,1,0,0|1,1,0]=4 2279 B6R1.2 CC1=NCCC1 MCULE-5009170423 [0,1,0,1,0,0|2,0,0]=4 2280 B6R1.2 CC1=NCCN1 MCULE-4787238872 [0,1,0,1,0,0|2,0,0]=4 2281 B6R1.2 CC1=NCCO1 MCULE-8564633040 [0,1,0,1,0,0|1,0,0]=3 2282 B6R1.2 CC1=NCCS1 MCULE-1701303405 [0,1,0,1,0,0|1,1,0]=4 2283 B6R1.2 CC1=NN=CN1 MCULE-4297826922 [0,1,0,1,0,0|1,0,1]=4 2284 B6R1.2 CC1=NN=CO1 MCULE-5138394000 [0,1,0,1,0,0|0,0,1]=3 2285 B6R1.2 CC1=NN=CS1 MCULE-5068390093 [0,1,0,1,0,0|0,1,1]=4 2286 B6R1.2 CC1=NN=NN1 MCULE-4684881164 [0,1,0,1,0,0|1,0,1]=4 2287 B6R1.2 CC1=NNCC1 MCULE-1758510182 [0,1,0,1,0,0|1,0,0]=3 2288 B6R1.2 CC1=NOC=C1 MCULE-1572732397 [0,1,0,1,0,0|2,0,0]=4 2289 B6R1.2 CC1=NOC=N1 MCULE-5841548711 [0,1,0,1,0,0|1,0,0]=3 2290 B6R1.2 CC1=NON=C1 MCULE-7563934145 [0,1,0,1,0,0|1,0,1]=4 2291 B6R1.2 CC1=NSC=C1 MCULE-6941128185 [0,1,0,1,0,0|2,0,0]=4 2292 B6R1.2 CC1=NSN=C1 MCULE-8318780980 [0,1,0,1,0,0|1,0,1]=4 2293 B6R1.2 CC1CNOC1 MCULE-1071803164 [0,1,0,1,0,0|1,0,1]=4 2294 B6R1.2 CC1CNOC1 MCULE-9455391174 [0,1,0,1,0,0|1,0,1]=4 2295 B6R1.2 ClC1=CNC=N1 MCULE-3072422179 [0,1,0,1,0,0|1,0,1]=4 2296 B6R1.2 ClC1=CNC=N1 MCULE-8453567278 [0,1,0,1,0,0|1,0,1]=4 2297 B6R1.2 ClC1=CNN=C1 MCULE-2092045123 [0,1,0,1,0,0|1,0,1]=4 2298 B6R1.2 ClC1=NC=CO1 MCULE-1860416745 [0,1,0,1,0,0|2,0,0]=4 2299 B6R1.2 ClC1=NC=CO1 MCULE-4765528658 [0,1,0,1,0,0|2,0,0]=4 2300 B6R1.2 ClC1=NCCN1 MCULE-2043711677 [0,1,0,1,0,0|2,0,0]=4 2301 B6R1.2 ClC1=NCCN1 MCULE-2296476673 [0,1,0,1,0,0|2,0,0]=4 2302 B6R1.2 ClC1=NNC=C1 MCULE-6678816051 [0,1,0,1,0,0|1,0,1]=4 2303 B6R1.2 ClC1=NNC=N1 MCULE-6627676536 [0,1,0,1,0,0|1,0,1]=4 2304 B6R1.2 FC1=CNN=C1 MCULE-7981107171 [0,1,0,1,0,0|1,0,1]=4 2305 B6R1.2 FC1=CNN=C1 MCULE-9509914186 [0,1,0,1,0,0|1,0,1]=4 2306 B6R1.2 FC1=NNC=C1 MCULE-3532126949 [0,1,0,1,0,0|1,0,1]=4 2307 B6R1.2 IC1=CNC=N1 MCULE-9964164089 [0,1,0,1,0,0|1,0,1]=4 2308 B6R1.2 IC1=CNN=C1 MCULE-4755201793 [0,1,0,1,0,0|1,0,1]=4 2309 B6R1.2 IC1=COC=N1 MCULE-1363022741 [0,1,0,1,0,0|2,0,0]=4 2310 B6R1.2 IC1=COC=N1 MCULE-8108166687 [0,1,0,1,0,0|2,0,0]=4 2311 B6R1.2 IC1=NC=CO1 MCULE-2254947090 [0,1,0,1,0,0|2,0,0]=4 2312 B6R1.2 IC1=NNC=C1 MCULE-9771094813 [0,1,0,1,0,0|1,0,1]=4 2313 B6R1.2 IC1=NNC=N1 MCULE-9276844432 [0,1,0,1,0,0|1,0,1]=4 2314 B6R1.2 NC1=CCNN1 MCULE-1539779543 [0,1,0,1,0,0|1,0,1]=4 2315 B6R1.2 NC1=CCNN1 MCULE-3460056890 [0,1,0,1,0,0|1,0,1]=4 2316 B6R1.2 NC1=CCNN1 MCULE-5423983278 [0,1,0,1,0,0|1,0,1]=4 2317 B6R1.2 NC1=CN=CO1 MCULE-4492961257 [0,1,0,1,0,0|2,0,0]=4 2318 B6R1.2 NC1=CNN=C1 MCULE-4119655375 [0,1,0,1,0,0|1,0,1]=4 2319 B6R1.2 NC1=CNN=C1 MCULE-5097217370 [0,1,0,1,0,0|1,0,1]=4 2320 B6R1.2 NC1=CNN=C1 MCULE-6287007700 [0,1,0,1,0,0|1,0,1]=4 2321 B6R1.2 NC1=CNN=N1 MCULE-7644677669 [0,1,0,1,0,0|1,0,1]=4 2322 B6R1.2 NC1=COC=N1 MCULE-2511021171 [0,1,0,1,0,0|2,0,0]=4 2323 B6R1.2 NC1=COC=N1 MCULE-3099880728 [0,1,0,1,0,0|2,0,0]=4 2324 B6R1.2 NC1=NC=CO1 MCULE-7316590930 [0,1,0,1,0,0|2,0,0]=4 2325 B6R1.2 NC1=NCCC1 MCULE-6089369366 [0,1,0,1,0,0|2,0,0]=4 2326 B6R1.2 NC1=NCCC1 MCULE-8979618464 [0,1,0,1,0,0|2,0,0]=4 2327 B6R1.2 NC1=NCCN1 MCULE-1788173657 [0,1,0,1,0,0|2,0,0]=4 2328 B6R1.2 NC1=NCCN1 MCULE-9804694628 [0,1,0,1,0,0|2,0,0]=4 2329 B6R1.2 NC1=NCCO1 MCULE-1257431295 [0,1,0,1,0,0|2,0,0]=4 2330 B6R1.2 NC1=NCCO1 MCULE-9912511107 [0,1,0,1,0,0|2,0,0]=4 2331 B6R1.2 NC1=NCCS1 MCULE-3397143190 [0,1,0,1,0,0|2,0,0]=4 2332 B6R1.2 NC1=NCCS1 MCULE-9466856269 [0,1,0,1,0,0|2,0,0]=4 2333 B6R1.2 NC1=NCCS1 MCULE-9984008966 [0,1,0,1,0,0|2,0,0]=4 2334 B6R1.2 NC1=NN=CO1 MCULE-9653146681 [0,1,0,1,0,0|1,0,1]=4 2335 B6R1.2 NC1=NNC=C1 MCULE-1507683823 [0,1,0,1,0,0|1,0,1]=4 2336 B6R1.2 NC1=NNC=C1 MCULE-5117516307 [0,1,0,1,0,0|1,0,1]=4 2337 B6R1.2 NC1=NNC=C1 MCULE-7091290697 [0,1,0,1,0,0|1,0,1]=4 2338 B6R1.2 NC1=NNCC1 MCULE-4665265929 [0,1,0,1,0,0|1,0,0]=3 2339 B6R1.2 NC1=NNN=C1 MCULE-4268197612 [0,1,0,1,0,0|1,0,1]=4 2340 B6R1.2 NC1=NOC=N1 MCULE-1140308393 [0,1,0,1,0,0|2,0,0]=4 2341 B6R1.2 NC1=NOCC1 MCULE-4971355735 [0,1,0,1,0,0|2,0,0]=4 2342 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [0,1,0,1,0,0|1,0,1]=4 2343 B6R1.2 O=C1CCNC1 MCULE-2947789259 [0,1,0,1,0,0|1,0,1]=4 2344 B6R1.2 O=C1CCNC1 MCULE-7192595052 [0,1,0,1,0,0|1,0,1]=4 2345 B6R1.2 O=C1CCNN1 MCULE-7030953666 [0,1,0,1,0,0|0,0,2]=4 2346 B6R1.2 O=C1CNCN1 MCULE-2645891847 [0,1,0,1,0,0|0,0,2]=4 2347 B6R1.2 O=C1CNCN1 MCULE-9269137129 [0,1,0,1,0,0|0,0,2]=4 2348 B6R1.2 OC1=CC=NN1 MCULE-9109008036 [0,1,0,1,0,0|1,0,1]=4 2349 B6R1.2 OC1=CN=CS1 MCULE-4004908551 [0,1,0,1,0,0|2,0,0]=4 2350 B6R1.2 OC1=CNC=C1 MCULE-3938204755 [0,1,0,1,0,0|1,0,1]=4 2351 B6R1.2 OC1=CNC=N1 MCULE-1911765165 [0,1,0,1,0,0|0,0,1]=3 2352 B6R1.2 OC1=CNN=C1 MCULE-5672706063 [0,1,0,1,0,0|0,0,1]=3 2353 B6R1.2 OC1=CNN=C1 MCULE-5774317326 [0,1,0,1,0,0|0,0,1]=3 2354 B6R1.2 OC1=CON=C1 MCULE-9622003135 [0,1,0,1,0,0|1,0,1]=4 2355 B6R1.2 OC1=NN=CO1 MCULE-5444445027 [0,1,0,1,0,0|0,0,2]=4 2356 B6R1.2 OC1=NN=CS1 MCULE-9934931556 [0,1,0,1,0,0|0,0,2]=4 2357 B6R1.2 OC1=NOC=C1 MCULE-6441945551 [0,1,0,1,0,0|1,0,1]=4 2358 B6R1.2 OC1=NSN=C1 MCULE-1499049623 [0,1,0,1,0,0|0,0,2]=4 2359 B6R1.2 OC1CCNC1 MCULE-4307402606 [0,1,0,1,0,0|1,0,1]=4 2360 B6R1.2 OC1CCNC1 MCULE-6745480350 [0,1,0,1,0,0|1,0,1]=4 2361 B6R1.2 OC1CNOC1 MCULE-3414700581 [0,1,0,1,0,0|1,0,1]=4 2362 B6R1.2 OC1CNOC1 MCULE-8163403090 [0,1,0,1,0,0|1,0,1]=4 2363 B6R1.2 OC1CNOC1 MCULE-8644852072 [0,1,0,1,0,0|1,0,1]=4 2364 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [0,1,0,1,0,0|1,0,1]=4 2365 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [0,1,0,1,0,0|1,0,1]=4 2366 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [0,1,0,1,0,0|1,0,1]=4 2367 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [0,1,0,1,0,0|1,0,1]=4 2368 B6R1.2 O[C@@H]1CNOC1 MCULE-1481945185 [0,1,0,1,0,0|1,0,1]=4 2369 B6R1.2 O[C@@H]1CNOC1 MCULE-4156521353 [0,1,0,1,0,0|1,0,1]=4 2370 B6R1.2 O[C@@H]1CNOC1 MCULE-5692816168 [0,1,0,1,0,0|1,0,1]=4 2371 B6R1.2 O[C@@H]1CNOC1 MCULE-6838604903 [0,1,0,1,0,0|1,0,1]=4 2372 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [0,1,0,1,0,0|1,0,1]=4 2373 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [0,1,0,1,0,0|1,0,1]=4 2374 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [0,1,0,1,0,0|1,0,1]=4 2375 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [0,1,0,1,0,0|1,0,1]=4 2376 B6R1.2 O[C@H]1CNOC1 MCULE-1746817114 [0,1,0,1,0,0|1,0,1]=4 2377 B6R1.2 O[C@H]1CNOC1 MCULE-4469396812 [0,1,0,1,0,0|1,0,1]=4 2378 B6R1.2 O[C@H]1CNOC1 MCULE-7167785164 [0,1,0,1,0,0|1,0,1]=4 2379 B6R1.2 O[C@H]1CNOC1 MCULE-8409877332 [0,1,0,1,0,0|1,0,1]=4 2380 B6R1.2 SC1=CNN=C1 MCULE-7844673145 [0,1,0,1,0,0|0,1,1]=4 2381 B6R1.2 SC1=NCCO1 MCULE-6684545723 [0,1,0,1,0,0|1,1,0]=4 2382 B6R1.2 SC1=NCCS1 MCULE-6840772268 [0,1,0,1,0,0|1,1,0]=4 2383 B6R1.2 SC1=NN=CO1 MCULE-5180923337 [0,1,0,1,0,0|1,0,1]=4 2384 B6R1.2 [Na]C1=NNC=N1 MCULE-3608100113 [0,1,0,1,0,0|1,0,1]=4 2385 B6R1.5 C=C1CC(C1)N MCULE-4635717695 [0,1,0,1,0,0|2,0,0]=4 2386 B6R1.5 C=C1CC(C1)N MCULE-6992894696 [0,1,0,1,0,0|2,0,0]=4 2387 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [0,1,0,1,0,0|1,0,1]=4 2388 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [0,1,0,1,0,0|1,0,1]=4 2389 B6R1.5 CN1CC(C1)O MCULE-2897194266 [0,1,0,1,0,0|1,0,1]=4 2390 B6R1.5 CN1CC(C1)O MCULE-3717153558 [0,1,0,1,0,0|1,0,1]=4 2391 B6R1.5 CN1CC(C1)O MCULE-7229396078 [0,1,0,1,0,0|1,0,1]=4 2392 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,1,0,1,0,0|1,0,1]=4 2393 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,1,0,1,0,0|1,0,1]=4 2394 B6R1.5 NC1CC(C1)O MCULE-3800806511 [0,1,0,1,0,0|1,0,1]=4 2395 B6R1.5 NC1CC(C1)O MCULE-4101412744 [0,1,0,1,0,0|1,0,1]=4 2396 B6R1.5 NN1CC(C1)O MCULE-1883589988 [0,1,0,1,0,0|0,0,2]=4 2397 B6R1.5 NN1CC(C1)O MCULE-4736517920 [0,1,0,1,0,0|0,0,2]=4 2398 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-3690359453 [0,1,0,1,0,0|1,0,1]=4 2399 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-6031478808 [0,1,0,1,0,0|1,0,1]=4 2400 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2367486822 [0,1,0,1,0,0|1,0,1]=4 2401 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2477923057 [0,1,0,1,0,0|1,0,1]=4 2402 B6R1.8 COC1CC1N MCULE-6836691149 [0,1,0,1,0,0|1,0,1]=4 2403 B6R1.8 COC1CC1N MCULE-9062056960 [0,1,0,1,0,0|1,0,1]=4 2404 B6R1.8 CO[C@@H]1C[C@@H]1N MCULE-6456572695 [0,1,0,1,0,0|1,0,1]=4 2405 B6R1.8 CO[C@@H]1C[C@@H]1N MCULE-9755300484 [0,1,0,1,0,0|1,0,1]=4 2406 B6R1.8 CO[C@@H]1C[C@H]1N MCULE-3862342520 [0,1,0,1,0,0|1,0,1]=4 2407 B6R1.8 CO[C@@H]1C[C@H]1N MCULE-4120361377 [0,1,0,1,0,0|1,0,1]=4 2408 B6R1.8 CO[C@H]1C[C@@H]1N MCULE-6295001950 [0,1,0,1,0,0|1,0,1]=4 2409 B6R1.8 CO[C@H]1C[C@@H]1N MCULE-7524472312 [0,1,0,1,0,0|1,0,1]=4 2410 B6R1.8 CO[C@H]1C[C@H]1N MCULE-3000810470 [0,1,0,1,0,0|1,0,1]=4 2411 B6R1.8 CO[C@H]1C[C@H]1N MCULE-6255571706 [0,1,0,1,0,0|1,0,1]=4 2412 B6R1.8 NC1CC1CO MCULE-7666097515 [0,1,0,1,0,0|1,0,1]=4 2413 B6R1.10 CC1(CNC1)O MCULE-3071077269 [0,1,0,1,0,0|1,0,1]=4 2414 B6R1.10 CC1(CNC1)O MCULE-9470244891 [0,1,0,1,0,0|1,0,1]=4 2415 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,1,0,1,0,0|1,0,1]=4 2416 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,1,0,1,0,0|2,0,0]=4 2417 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,1,0,1,0,0|2,0,0]=4 2418 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,1,0,1,0,0|2,0,0]=4 2419 B6R1.4 CC1NCC1O MCULE-6512695808 [0,1,0,1,0,0|1,0,1]=4 2420 B6R1.4 CC1NCC1O MCULE-8357296054 [0,1,0,1,0,0|1,0,1]=4 2421 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-1528414534 [0,1,0,1,0,0|1,0,1]=4 2422 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-2910306067 [0,1,0,1,0,0|1,0,1]=4 2423 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3197698089 [0,1,0,1,0,0|1,0,1]=4 2424 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-3295326997 [0,1,0,1,0,0|1,0,1]=4 2425 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-5640695802 [0,1,0,1,0,0|1,0,1]=4 2426 B6R1.4 C[C@@H]1NC[C@@H]1O MCULE-7598216076 [0,1,0,1,0,0|1,0,1]=4 2427 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3152396704 [0,1,0,1,0,0|1,0,1]=4 2428 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3248209918 [0,1,0,1,0,0|1,0,1]=4 2429 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-3575939824 [0,1,0,1,0,0|1,0,1]=4 2430 B6R1.4 C[C@@H]1NC[C@H]1O MCULE-4120662394 [0,1,0,1,0,0|1,0,1]=4 2431 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-3510002118 [0,1,0,1,0,0|1,0,1]=4 2432 B6R1.4 C[C@H]1NC[C@@H]1O MCULE-6901722671 [0,1,0,1,0,0|1,0,1]=4 2433 B6R1.4 C[C@H]1NC[C@H]1O MCULE-1733557375 [0,1,0,1,0,0|1,0,1]=4 2434 B6R1.4 C[C@H]1NC[C@H]1O MCULE-3026150373 [0,1,0,1,0,0|1,0,1]=4 2435 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7386387747 [0,1,0,1,0,0|1,0,1]=4 2436 B6R1.4 C[C@H]1NC[C@H]1O MCULE-7405032693 [0,1,0,1,0,0|1,0,1]=4 2437 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,1,0,1,0,0|1,0,1]=4 2438 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,1,0,1,0,0|1,0,1]=4 2439 B6R1.4 NC1CCC1O MCULE-4636397534 [0,1,0,1,0,0|1,0,1]=4 2440 B6R1.4 NC1CCC1O MCULE-7148132261 [0,1,0,1,0,0|1,0,1]=4 2441 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,1,0,1,0,0|1,0,1]=4 2442 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,1,0,1,0,0|1,0,1]=4 2443 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,1,0,1,0,0|1,0,1]=4 2444 B6R1.4 NC1COC1=O MCULE-6998565452 [0,1,0,1,0,0|1,0,1]=4 2445 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,1,0,1,0,0|0,0,2]=4 2446 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,1,0,1,0,0|0,0,2]=4 2447 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-1054283097 [0,1,0,1,0,0|1,0,1]=4 2448 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-3905992171 [0,1,0,1,0,0|1,0,1]=4 2449 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-6111990015 [0,1,0,1,0,0|1,0,1]=4 2450 B6R1.4 N[C@@H]1CC[C@@H]1O MCULE-9101755956 [0,1,0,1,0,0|1,0,1]=4 2451 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-1883601377 [0,1,0,1,0,0|1,0,1]=4 2452 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-6045787726 [0,1,0,1,0,0|1,0,1]=4 2453 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-7120290402 [0,1,0,1,0,0|1,0,1]=4 2454 B6R1.4 N[C@@H]1CC[C@H]1O MCULE-8603369729 [0,1,0,1,0,0|1,0,1]=4 2455 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,1,0,1,0,0|1,0,1]=4 2456 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,1,0,1,0,0|1,0,1]=4 2457 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,1,0,1,0,0|1,0,1]=4 2458 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,1,0,1,0,0|1,0,1]=4 2459 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,1,0,1,0,0|1,0,1]=4 2460 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,1,0,1,0,0|1,0,1]=4 2461 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-1761694918 [0,1,0,1,0,0|1,0,1]=4 2462 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-2828590958 [0,1,0,1,0,0|1,0,1]=4 2463 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-3261752057 [0,1,0,1,0,0|1,0,1]=4 2464 B6R1.4 N[C@H]1CC[C@@H]1O MCULE-7711512049 [0,1,0,1,0,0|1,0,1]=4 2465 B6R1.4 N[C@H]1CC[C@H]1O MCULE-3204268809 [0,1,0,1,0,0|1,0,1]=4 2466 B6R1.4 N[C@H]1CC[C@H]1O MCULE-4184135738 [0,1,0,1,0,0|1,0,1]=4 2467 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,1,0,1,0,0|1,0,1]=4 2468 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,1,0,1,0,0|1,0,1]=4 2469 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,1,0,1,0,0|1,0,1]=4 2470 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,1,0,1,0,0|1,0,1]=4 2471 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,1,0,1,0,0|1,0,1]=4 2472 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,1,0,1,0,0|1,0,1]=4 2473 B6R1.6 COC1CNC1 MCULE-1522685592 [0,1,0,1,0,0|1,0,1]=4 2474 B6R1.6 COC1CNC1 MCULE-4835486151 [0,1,0,1,0,0|1,0,1]=4 2475 B6R1.6 NCC1CCO1 MCULE-4478591600 [0,1,0,1,0,0|1,0,1]=4 2476 B6R1.6 NCC1COC1 MCULE-4685637013 [0,1,0,1,0,0|1,0,1]=4 2477 B6R1.6 NCC1COC1 MCULE-6896653344 [0,1,0,1,0,0|1,0,1]=4 2478 B6R1.6 NC[C@@H]1CCO1 MCULE-2375359339 [0,1,0,1,0,0|1,0,1]=4 2479 B6R1.6 NC[C@@H]1CCO1 MCULE-4004256578 [0,1,0,1,0,0|1,0,1]=4 2480 B6R1.6 NC[C@H]1CCO1 MCULE-2811111103 [0,1,0,1,0,0|1,0,1]=4 2481 B6R1.6 NC[C@H]1CCO1 MCULE-4329808216 [0,1,0,1,0,0|1,0,1]=4 2482 B6R1.6 NC[C@H]1CCO1 MCULE-9974781002 [0,1,0,1,0,0|1,0,1]=4 2483 B6R1.6 NNC1COC1 MCULE-2986078946 [0,1,0,1,0,0|0,0,2]=4 2484 B6R1.6 NNC1COC1 MCULE-4662390820 [0,1,0,1,0,0|0,0,2]=4 2485 B6R1.6 NNC1COC1 MCULE-7804737341 [0,1,0,1,0,0|0,0,2]=4 2486 B6R1.6 NOC1COC1 MCULE-1949996102 [0,1,0,1,0,0|1,0,1]=4 2487 B6R1.6 OCC1CNC1 MCULE-1537874886 [0,1,0,1,0,0|1,0,1]=4 2488 B6R1.6 OCC1CNC1 MCULE-8316085177 [0,1,0,1,0,0|1,0,1]=4 2489 B6R1.6 ON=C1CCC1 MCULE-4777625640 [0,1,0,1,0,0|2,0,0]=4 2490 B6R1.7 CC1(N=N1)CO MCULE-3111044066 [0,1,0,1,0,0|0,0,2]=4 2491 B6R1.7 NCC1(CC1)O MCULE-7633241990 [0,1,0,1,0,0|1,0,1]=4 2492 B6R1.7 NCC1(CC1)O MCULE-8264909288 [0,1,0,1,0,0|1,0,1]=4