0 B4R0.1 BrC=C(Br)Br MCULE-9536958233 [0,0,0,0,0,0|4,0,0]=4 1 B4R0.1 C#CC(=C)C MCULE-6826835331 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.1 C#CC(=O)C MCULE-1296030711 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.1 C#CC(=O)N MCULE-1832868146 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 C#CC(=O)O MCULE-8764256624 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.1 C#CC(=O)[O-] MCULE-3356498679 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 C#CC(=O)[O-] MCULE-3490087346 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 C#CC(C)N MCULE-5174459541 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 C#CC(C)N MCULE-7552261137 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 C#CC(C)N MCULE-8458008104 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 C#CC(C)N MCULE-8872781976 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C#C[C@@H](C)N MCULE-1688945745 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C#C[C@@H](C)N MCULE-2648127023 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 C#C[C@@H](C)N MCULE-4450167680 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 C#C[C@@H](C)N MCULE-5940189329 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 C#C[C@H](C)N MCULE-1256303297 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 C#C[C@H](C)N MCULE-4223264163 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 C#C[C@H](C)N MCULE-9450573338 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 C#C[C@H](C)N MCULE-9795039145 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 C(C)(N)CN MCULE-5877041140 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 C(C)(N)CO MCULE-5844242932 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [0,0,0,0,0,0|1,0,1]=2 22 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [0,0,0,0,0,0|1,0,1]=2 23 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [0,0,0,0,0,0|4,0,0]=4 24 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [0,0,0,0,0,0|4,0,0]=4 25 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [0,0,0,0,0,0|4,0,0]=4 26 B4R0.1 C=C(Br)C#N MCULE-6077746884 [0,0,0,0,0,0|4,0,0]=4 27 B4R0.1 C=C(Br)C=O MCULE-9500973388 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 C=C(Br)CBr MCULE-1222617820 [0,0,0,0,0,0|4,0,0]=4 29 B4R0.1 C=C(Br)CC MCULE-6271946451 [0,0,0,0,0,0|4,0,0]=4 30 B4R0.1 C=C(Br)CN MCULE-1170417597 [0,0,0,0,0,0|4,0,0]=4 31 B4R0.1 C=C(Br)CN MCULE-9190049156 [0,0,0,0,0,0|4,0,0]=4 32 B4R0.1 C=C(Br)CO MCULE-7763893047 [0,0,0,0,0,0|3,0,0]=3 33 B4R0.1 C=C(C)C#N MCULE-9177849910 [0,0,0,0,0,0|4,0,0]=4 34 B4R0.1 C=C(C)C=O MCULE-3758355501 [0,0,0,0,0,0|3,0,1]=4 35 B4R0.1 C=C(C)CBr MCULE-1361893863 [0,0,0,0,0,0|4,0,0]=4 36 B4R0.1 C=C(C)CCl MCULE-5586406339 [0,0,0,0,0,0|4,0,0]=4 37 B4R0.1 C=C(C)CI MCULE-3678124406 [0,0,0,0,0,0|4,0,0]=4 38 B4R0.1 C=C(C)CN MCULE-1033495975 [0,0,0,0,0,0|4,0,0]=4 39 B4R0.1 C=C(C)CN MCULE-8730181300 [0,0,0,0,0,0|4,0,0]=4 40 B4R0.1 C=C(C)CO MCULE-8641288398 [0,0,0,0,0,0|3,0,0]=3 41 B4R0.1 C=C(C)CS MCULE-5174170431 [0,0,0,0,0,0|3,1,0]=4 42 B4R0.1 C=C(C)OC MCULE-7344104255 [0,0,0,0,0,0|4,0,0]=4 43 B4R0.1 C=C(Cl)C#N MCULE-8612604639 [0,0,0,0,0,0|4,0,0]=4 44 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [0,0,0,0,0,0|4,0,0]=4 45 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [0,0,0,0,0,0|4,0,0]=4 46 B4R0.1 C=C(Cl)CI MCULE-1908004565 [0,0,0,0,0,0|4,0,0]=4 47 B4R0.1 C=C(Cl)CN MCULE-2159410121 [0,0,0,0,0,0|4,0,0]=4 48 B4R0.1 C=C(Cl)CN MCULE-3454023553 [0,0,0,0,0,0|4,0,0]=4 49 B4R0.1 C=C(Cl)CO MCULE-8813337564 [0,0,0,0,0,0|3,0,0]=3 50 B4R0.1 C=C(F)CBr MCULE-6528430141 [0,0,0,0,0,0|4,0,0]=4 51 B4R0.1 C=C(F)CCl MCULE-4499400030 [0,0,0,0,0,0|4,0,0]=4 52 B4R0.1 C=C(F)CN MCULE-1603171858 [0,0,0,0,0,0|4,0,0]=4 53 B4R0.1 C=C(F)CN MCULE-3878727292 [0,0,0,0,0,0|4,0,0]=4 54 B4R0.1 C=C(F)CO MCULE-2779963696 [0,0,0,0,0,0|3,0,0]=3 55 B4R0.1 C=C(I)CO MCULE-2533897125 [0,0,0,0,0,0|3,0,0]=3 56 B4R0.1 C=C=C(C)C MCULE-8705186354 [0,0,0,0,0,0|4,0,0]=4 57 B4R0.1 C=CC(=C)C MCULE-1668999564 [0,0,0,0,0,0|4,0,0]=4 58 B4R0.1 C=CC(=O)C MCULE-4924646293 [0,0,0,0,0,0|4,0,0]=4 59 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [0,0,0,0,0,0|4,0,0]=4 60 B4R0.1 C=CC(=O)N MCULE-4309430654 [0,0,0,0,0,0|3,0,0]=3 61 B4R0.1 C=CC(=O)O MCULE-9352227082 [0,0,0,0,0,0|4,0,0]=4 62 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [0,0,0,0,0,0|4,0,0]=4 63 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [0,0,0,0,0,0|4,0,0]=4 64 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [0,0,0,0,0,0|4,0,0]=4 65 B4R0.1 C=CC(C)N MCULE-5748048106 [0,0,0,0,0,0|3,0,1]=4 66 B4R0.1 C=CC(C)N MCULE-6786590923 [0,0,0,0,0,0|3,0,1]=4 67 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [0,0,0,0,0,0|3,0,1]=4 68 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [0,0,0,0,0,0|3,0,1]=4 69 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [0,0,0,0,0,0|3,0,1]=4 70 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [0,0,0,0,0,0|3,0,1]=4 71 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [0,0,0,0,0,0|3,0,1]=4 72 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [0,0,0,0,0,0|3,0,1]=4 73 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [0,0,0,0,0,0|3,0,1]=4 74 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [0,0,0,0,0,0|3,0,1]=4 75 B4R0.1 CC(=CBr)C MCULE-9508381610 [0,0,0,0,0,0|4,0,0]=4 76 B4R0.1 CC(=CCl)C MCULE-4321554138 [0,0,0,0,0,0|4,0,0]=4 77 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [0,0,0,0,0,0|4,0,0]=4 78 B4R0.1 CC(=N)NN MCULE-2302306720 [0,0,0,0,0,0|2,0,0]=2 79 B4R0.1 CC(=N)NN MCULE-5362481009 [0,0,0,0,0,0|2,0,0]=2 80 B4R0.1 CC(=NN)C MCULE-8828852790 [0,0,0,0,0,0|3,0,1]=4 81 B4R0.1 CC(=NO)C MCULE-3243100216 [0,0,0,0,0,0|2,0,1]=3 82 B4R0.1 CC(=O)C#N MCULE-6317771757 [0,0,0,0,0,0|4,0,0]=4 83 B4R0.1 CC(=O)C=O MCULE-2718961814 [0,0,0,0,0,0|3,0,1]=4 84 B4R0.1 CC(=O)CBr MCULE-7812920675 [0,0,0,0,0,0|4,0,0]=4 85 B4R0.1 CC(=O)CCl MCULE-2501365933 [0,0,0,0,0,0|4,0,0]=4 86 B4R0.1 CC(=O)CF MCULE-7417279999 [0,0,0,0,0,0|4,0,0]=4 87 B4R0.1 CC(=O)CN MCULE-2715277783 [0,0,0,0,0,0|4,0,0]=4 88 B4R0.1 CC(=O)CN MCULE-6004541862 [0,0,0,0,0,0|4,0,0]=4 89 B4R0.1 CC(=O)CO MCULE-2989526028 [0,0,0,0,0,0|3,0,0]=3 90 B4R0.1 CC(=O)CS MCULE-9736174016 [0,0,0,0,0,0|3,1,0]=4 91 B4R0.1 CC(=O)NBr MCULE-6502070876 [0,0,0,0,0,0|3,0,0]=3 92 B4R0.1 CC(=O)NN MCULE-9183467120 [0,0,0,0,0,0|3,0,0]=3 93 B4R0.1 CC(=O)NO MCULE-2682231025 [0,0,0,0,0,0|2,0,0]=2 94 B4R0.1 CC(=O)OO MCULE-6028338742 [0,0,0,0,0,0|3,0,0]=3 95 B4R0.1 CC(Br)CO MCULE-8344365003 [0,0,0,0,0,0|3,0,1]=4 96 B4R0.1 CC(C)CO MCULE-6294327194 [0,0,0,0,0,0|3,0,1]=4 97 B4R0.1 CC(C)NN MCULE-4673953224 [0,0,0,0,0,0|3,0,1]=4 98 B4R0.1 CC(C)NN MCULE-7901160798 [0,0,0,0,0,0|3,0,1]=4 99 B4R0.1 CC(C)NN MCULE-9473118288 [0,0,0,0,0,0|3,0,1]=4 100 B4R0.1 CC(C)NO MCULE-6516566403 [0,0,0,0,0,0|2,0,1]=3 101 B4R0.1 CC(C)NO MCULE-8545146035 [0,0,0,0,0,0|2,0,1]=3 102 B4R0.1 CC(Cl)CO MCULE-3857255988 [0,0,0,0,0,0|3,0,1]=4 103 B4R0.1 CC(Cl)CO MCULE-7538548427 [0,0,0,0,0,0|3,0,1]=4 104 B4R0.1 CC(F)CO MCULE-6006763378 [0,0,0,0,0,0|3,0,1]=4 105 B4R0.1 CC(N)C#N MCULE-4008524363 [0,0,0,0,0,0|3,0,1]=4 106 B4R0.1 CC(N)C#N MCULE-8654767875 [0,0,0,0,0,0|3,0,1]=4 107 B4R0.1 CC(N)C=O MCULE-3421118418 [0,0,0,0,0,0|2,0,2]=4 108 B4R0.1 CC(N)CBr MCULE-1783493149 [0,0,0,0,0,0|3,0,1]=4 109 B4R0.1 CC(N)CBr MCULE-2775398297 [0,0,0,0,0,0|3,0,1]=4 110 B4R0.1 CC(N)CCl MCULE-8652434595 [0,0,0,0,0,0|3,0,1]=4 111 B4R0.1 CC(N)CCl MCULE-9580466630 [0,0,0,0,0,0|3,0,1]=4 112 B4R0.1 CC(N)CF MCULE-1603143200 [0,0,0,0,0,0|3,0,1]=4 113 B4R0.1 CC(N)CF MCULE-3787216870 [0,0,0,0,0,0|3,0,1]=4 114 B4R0.1 CC(N)CF MCULE-4138869746 [0,0,0,0,0,0|3,0,1]=4 115 B4R0.1 CC(N)CF MCULE-8611760275 [0,0,0,0,0,0|3,0,1]=4 116 B4R0.1 CC(N)CN MCULE-2119036110 [0,0,0,0,0,0|3,0,1]=4 117 B4R0.1 CC(N)CN MCULE-6286216576 [0,0,0,0,0,0|3,0,1]=4 118 B4R0.1 CC(N)CN MCULE-9919433465 [0,0,0,0,0,0|3,0,1]=4 119 B4R0.1 CC(N)CO MCULE-1361379423 [0,0,0,0,0,0|2,0,1]=3 120 B4R0.1 CC(N)CO MCULE-2098440985 [0,0,0,0,0,0|2,0,1]=3 121 B4R0.1 CC(N)CS MCULE-1396853557 [0,0,0,0,0,0|2,1,1]=4 122 B4R0.1 CC(N)CS MCULE-4094732666 [0,0,0,0,0,0|2,1,1]=4 123 B4R0.1 CC(O)CO MCULE-5574440784 [0,0,0,0,0,0|3,0,1]=4 124 B4R0.1 CC(O)CO MCULE-8743139013 [0,0,0,0,0,0|3,0,1]=4 125 B4R0.1 CC(S)CO MCULE-5090908062 [0,0,0,0,0,0|3,0,1]=4 126 B4R0.1 CC=C(C)Br MCULE-1371905211 [0,0,0,0,0,0|4,0,0]=4 127 B4R0.1 CC=C(C)C MCULE-4230157245 [0,0,0,0,0,0|4,0,0]=4 128 B4R0.1 CC=C(C)Cl MCULE-3844314543 [0,0,0,0,0,0|4,0,0]=4 129 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [0,0,0,0,0,0|4,0,0]=4 130 B4R0.1 CC=C(F)F MCULE-5544510852 [0,0,0,0,0,0|4,0,0]=4 131 B4R0.1 CCC(=N)N MCULE-1856575742 [0,0,0,0,0,0|2,0,0]=2 132 B4R0.1 CCC(=N)N MCULE-2534386807 [0,0,0,0,0,0|2,0,0]=2 133 B4R0.1 CCC(=O)Br MCULE-7870678619 [0,0,0,0,0,0|4,0,0]=4 134 B4R0.1 CCC(=O)C MCULE-8276670748 [0,0,0,0,0,0|4,0,0]=4 135 B4R0.1 CCC(=O)Cl MCULE-3081874391 [0,0,0,0,0,0|4,0,0]=4 136 B4R0.1 CCC(=O)F MCULE-8783887670 [0,0,0,0,0,0|4,0,0]=4 137 B4R0.1 CCC(=O)N MCULE-3730796130 [0,0,0,0,0,0|3,0,0]=3 138 B4R0.1 CCC(=O)O MCULE-2199051150 [0,0,0,0,0,0|4,0,0]=4 139 B4R0.1 CCC(=O)O MCULE-9800054040 [0,0,0,0,0,0|4,0,0]=4 140 B4R0.1 CCC(=O)S MCULE-3392119766 [0,0,0,0,0,0|4,0,0]=4 141 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [0,0,0,0,0,0|4,0,0]=4 142 B4R0.1 CCC(=S)N MCULE-3921479699 [0,0,0,0,0,0|3,0,0]=3 143 B4R0.1 CCC(C)N MCULE-5041676035 [0,0,0,0,0,0|3,0,1]=4 144 B4R0.1 CCC(C)N MCULE-5835091553 [0,0,0,0,0,0|3,0,1]=4 145 B4R0.1 CCC(C)N MCULE-6631606230 [0,0,0,0,0,0|3,0,1]=4 146 B4R0.1 CCC(C)N MCULE-8165681721 [0,0,0,0,0,0|3,0,1]=4 147 B4R0.1 CCN(C)N MCULE-2279492356 [0,0,0,0,0,0|4,0,0]=4 148 B4R0.1 CCN(C)N MCULE-5660338703 [0,0,0,0,0,0|4,0,0]=4 149 B4R0.1 CCN(C)N MCULE-9839987578 [0,0,0,0,0,0|4,0,0]=4 150 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [0,0,0,0,0,0|3,0,1]=4 151 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [0,0,0,0,0,0|3,0,1]=4 152 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [0,0,0,0,0,0|3,0,1]=4 153 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [0,0,0,0,0,0|3,0,1]=4 154 B4R0.1 CC[C@H](C)N MCULE-2450201533 [0,0,0,0,0,0|3,0,1]=4 155 B4R0.1 CC[C@H](C)N MCULE-2998961427 [0,0,0,0,0,0|3,0,1]=4 156 B4R0.1 CC[C@H](C)N MCULE-6692190471 [0,0,0,0,0,0|3,0,1]=4 157 B4R0.1 CC[C@H](C)N MCULE-6904795465 [0,0,0,0,0,0|3,0,1]=4 158 B4R0.1 CN(N)C=O MCULE-6353057165 [0,0,0,0,0,0|3,0,1]=4 159 B4R0.1 CNC(=N)N MCULE-1074994749 [0,0,0,0,0,0|1,0,0]=1 160 B4R0.1 CNC(=N)N MCULE-6149731862 [0,0,0,0,0,0|1,0,0]=1 161 B4R0.1 CNC(=N)N MCULE-7667364021 [0,0,0,0,0,0|1,0,0]=1 162 B4R0.1 CNC(=N)N MCULE-7854448694 [0,0,0,0,0,0|1,0,0]=1 163 B4R0.1 CNC(=O)C MCULE-2612997941 [0,0,0,0,0,0|3,0,0]=3 164 B4R0.1 CNC(=O)Cl MCULE-7743744606 [0,0,0,0,0,0|3,0,0]=3 165 B4R0.1 CNC(=O)N MCULE-6422331704 [0,0,0,0,0,0|2,0,0]=2 166 B4R0.1 CNC(=S)C MCULE-8699171591 [0,0,0,0,0,0|3,0,0]=3 167 B4R0.1 CNC(=S)N MCULE-7103250725 [0,0,0,0,0,0|2,0,0]=2 168 B4R0.1 CNC(=S)[S-] MCULE-4072880135 [0,0,0,0,0,0|3,0,0]=3 169 B4R0.1 CNC(=S)[S-] MCULE-4924829934 [0,0,0,0,0,0|3,0,0]=3 170 B4R0.1 CNC(C)C MCULE-3849513543 [0,0,0,0,0,0|3,0,1]=4 171 B4R0.1 CNN(C)C MCULE-7120869955 [0,0,0,0,0,0|4,0,0]=4 172 B4R0.1 CNN(C)C MCULE-8318926099 [0,0,0,0,0,0|4,0,0]=4 173 B4R0.1 COC(=N)C MCULE-2752794913 [0,0,0,0,0,0|3,0,0]=3 174 B4R0.1 COC(=N)C MCULE-2904991083 [0,0,0,0,0,0|3,0,0]=3 175 B4R0.1 COC(=N)N MCULE-1611076737 [0,0,0,0,0,0|2,0,0]=2 176 B4R0.1 COC(=N)N MCULE-4923904579 [0,0,0,0,0,0|2,0,0]=2 177 B4R0.1 COC(=N)N MCULE-6696789855 [0,0,0,0,0,0|2,0,0]=2 178 B4R0.1 COC(=N)N MCULE-9171600210 [0,0,0,0,0,0|2,0,0]=2 179 B4R0.1 COC(=O)C MCULE-7368066093 [0,0,0,0,0,0|4,0,0]=4 180 B4R0.1 COC(=O)Cl MCULE-8022274771 [0,0,0,0,0,0|4,0,0]=4 181 B4R0.1 COC(=O)N MCULE-4070607369 [0,0,0,0,0,0|3,0,0]=3 182 B4R0.1 COC(=S)N MCULE-9414558443 [0,0,0,0,0,0|3,0,0]=3 183 B4R0.1 COC(=S)[S-] MCULE-4829872223 [0,0,0,0,0,0|4,0,0]=4 184 B4R0.1 COC(=S)[S-] MCULE-6509496630 [0,0,0,0,0,0|4,0,0]=4 185 B4R0.1 CSC(=N)N MCULE-1471368384 [0,0,0,0,0,0|2,0,0]=2 186 B4R0.1 CSC(=N)N MCULE-3394284504 [0,0,0,0,0,0|2,0,0]=2 187 B4R0.1 CSC(=N)N MCULE-3752198299 [0,0,0,0,0,0|2,0,0]=2 188 B4R0.1 CSC(=N)N MCULE-5672446896 [0,0,0,0,0,0|2,0,0]=2 189 B4R0.1 CSC(=N)N MCULE-8409992127 [0,0,0,0,0,0|2,0,0]=2 190 B4R0.1 CSC(=O)C MCULE-7061634598 [0,0,0,0,0,0|4,0,0]=4 191 B4R0.1 CSC(=S)C MCULE-4836153374 [0,0,0,0,0,0|4,0,0]=4 192 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [0,0,0,0,0,0|3,0,1]=4 193 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [0,0,0,0,0,0|3,0,1]=4 194 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [0,0,0,0,0,0|3,0,1]=4 195 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [0,0,0,0,0,0|3,0,1]=4 196 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [0,0,0,0,0,0|3,0,1]=4 197 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [0,0,0,0,0,0|3,0,1]=4 198 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [0,0,0,0,0,0|3,0,1]=4 199 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [0,0,0,0,0,0|3,0,1]=4 200 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [0,0,0,0,0,0|3,0,1]=4 201 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [0,0,0,0,0,0|3,0,1]=4 202 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [0,0,0,0,0,0|3,0,1]=4 203 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [0,0,0,0,0,0|3,0,1]=4 204 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [0,0,0,0,0,0|3,0,1]=4 205 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [0,0,0,0,0,0|3,0,1]=4 206 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [0,0,0,0,0,0|3,0,1]=4 207 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [0,0,0,0,0,0|3,0,1]=4 208 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [0,0,0,0,0,0|2,0,1]=3 209 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [0,0,0,0,0,0|2,0,1]=3 210 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [0,0,0,0,0,0|3,0,1]=4 211 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [0,0,0,0,0,0|3,0,1]=4 212 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [0,0,0,0,0,0|3,0,1]=4 213 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [0,0,0,0,0,0|3,0,1]=4 214 B4R0.1 C[C@H](F)CO MCULE-1024261541 [0,0,0,0,0,0|3,0,1]=4 215 B4R0.1 C[C@H](F)CO MCULE-7028098137 [0,0,0,0,0,0|3,0,1]=4 216 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [0,0,0,0,0,0|3,0,1]=4 217 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [0,0,0,0,0,0|3,0,1]=4 218 B4R0.1 C[C@H](N)CF MCULE-1053227516 [0,0,0,0,0,0|3,0,1]=4 219 B4R0.1 C[C@H](N)CF MCULE-4024916343 [0,0,0,0,0,0|3,0,1]=4 220 B4R0.1 C[C@H](N)CF MCULE-6312285034 [0,0,0,0,0,0|3,0,1]=4 221 B4R0.1 C[C@H](N)CF MCULE-7630744199 [0,0,0,0,0,0|3,0,1]=4 222 B4R0.1 C[C@H](N)CN MCULE-2048837128 [0,0,0,0,0,0|3,0,1]=4 223 B4R0.1 C[C@H](N)CN MCULE-4105152552 [0,0,0,0,0,0|3,0,1]=4 224 B4R0.1 C[C@H](N)CN MCULE-7106390536 [0,0,0,0,0,0|3,0,1]=4 225 B4R0.1 C[C@H](N)CN MCULE-9863306005 [0,0,0,0,0,0|3,0,1]=4 226 B4R0.1 C[C@H](N)CO MCULE-2471107013 [0,0,0,0,0,0|2,0,1]=3 227 B4R0.1 C[C@H](N)CO MCULE-5424195678 [0,0,0,0,0,0|2,0,1]=3 228 B4R0.1 C[C@H](O)CO MCULE-6582852191 [0,0,0,0,0,0|3,0,1]=4 229 B4R0.1 C[C@H](O)CO MCULE-8074793296 [0,0,0,0,0,0|3,0,1]=4 230 B4R0.1 ClC=C(Cl)Cl MCULE-3945953656 [0,0,0,0,0,0|4,0,0]=4 231 B4R0.1 FC(=CBr)F MCULE-5114290777 [0,0,0,0,0,0|4,0,0]=4 232 B4R0.1 FC=C(Br)Br MCULE-3150710627 [0,0,0,0,0,0|4,0,0]=4 233 B4R0.1 FC=C(F)F MCULE-2449532887 [0,0,0,0,0,0|4,0,0]=4 234 B4R0.1 N=C(N)CCl MCULE-1495198330 [0,0,0,0,0,0|2,0,0]=2 235 B4R0.1 N=C(N)CCl MCULE-2087468158 [0,0,0,0,0,0|2,0,0]=2 236 B4R0.1 N=C(N)CF MCULE-4489534021 [0,0,0,0,0,0|2,0,0]=2 237 B4R0.1 N=C(N)CF MCULE-8858704396 [0,0,0,0,0,0|2,0,0]=2 238 B4R0.1 N=C(N)CN MCULE-2761790792 [0,0,0,0,0,0|2,0,0]=2 239 B4R0.1 N=C(N)CN MCULE-5131841850 [0,0,0,0,0,0|2,0,0]=2 240 B4R0.1 N=C(N)CN MCULE-6618111844 [0,0,0,0,0,0|2,0,0]=2 241 B4R0.1 N=C(N)CO MCULE-5146395919 [0,0,0,0,0,0|1,0,0]=1 242 B4R0.1 N=C(N)CO MCULE-8814507460 [0,0,0,0,0,0|1,0,0]=1 243 B4R0.1 N=C(N)NN MCULE-1109353559 [0,0,0,0,0,0|1,0,0]=1 244 B4R0.1 N=C(N)NN MCULE-3637328913 [0,0,0,0,0,0|1,0,0]=1 245 B4R0.1 N=C(N)NN MCULE-4551185793 [0,0,0,0,0,0|1,0,0]=1 246 B4R0.1 N=C(N)NN MCULE-8251830457 [0,0,0,0,0,0|1,0,0]=1 247 B4R0.1 N=C(N)NO MCULE-2554837832 [0,0,0,0,0,0|0,0,0]=0 248 B4R0.1 N=C(N)NO MCULE-5458374815 [0,0,0,0,0,0|0,0,0]=0 249 B4R0.1 N=C(N)NO MCULE-5913043834 [0,0,0,0,0,0|0,0,0]=0 250 B4R0.1 NC(=NO)N MCULE-7650923271 [0,0,0,0,0,0|0,0,2]=2 251 B4R0.1 NC(=O)CBr MCULE-9306090536 [0,0,0,0,0,0|3,0,0]=3 252 B4R0.1 NC(=O)CCl MCULE-3241549842 [0,0,0,0,0,0|3,0,0]=3 253 B4R0.1 NC(=O)CF MCULE-3344212657 [0,0,0,0,0,0|3,0,0]=3 254 B4R0.1 NC(=O)CI MCULE-4217973413 [0,0,0,0,0,0|3,0,0]=3 255 B4R0.1 NC(=O)CO MCULE-2739878376 [0,0,0,0,0,0|2,0,0]=2 256 B4R0.1 NC(=O)CS MCULE-2639305532 [0,0,0,0,0,0|2,1,0]=3 257 B4R0.1 NC(=O)NO MCULE-9465284053 [0,0,0,0,0,0|1,0,0]=1 258 B4R0.1 NC(=S)CF MCULE-7873791134 [0,0,0,0,0,0|3,0,0]=3 259 B4R0.1 NC(=S)CO MCULE-9301705313 [0,0,0,0,0,0|2,0,0]=2 260 B4R0.1 NCC(=O)N MCULE-1048848056 [0,0,0,0,0,0|3,0,0]=3 261 B4R0.1 NCC(=O)N MCULE-2174395809 [0,0,0,0,0,0|3,0,0]=3 262 B4R0.1 NCC(=O)N MCULE-6113166250 [0,0,0,0,0,0|3,0,0]=3 263 B4R0.1 NCC(=O)O MCULE-2415764032 [0,0,0,0,0,0|4,0,0]=4 264 B4R0.1 NCC(=O)O MCULE-3643110755 [0,0,0,0,0,0|4,0,0]=4 265 B4R0.1 NCC(=O)O MCULE-4349255299 [0,0,0,0,0,0|4,0,0]=4 266 B4R0.1 NCC(=O)O MCULE-9146223615 [0,0,0,0,0,0|4,0,0]=4 267 B4R0.1 NCC(=O)O MCULE-9701991737 [0,0,0,0,0,0|4,0,0]=4 268 B4R0.1 NCC(=O)S MCULE-9837799864 [0,0,0,0,0,0|4,0,0]=4 269 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [0,0,0,0,0,0|4,0,0]=4 270 B4R0.1 NN=C(N)N MCULE-4671721847 [0,0,0,0,0,0|1,0,2]=3 271 B4R0.1 NNC(=O)N MCULE-3392559370 [0,0,0,0,0,0|2,0,0]=2 272 B4R0.1 NNC(=O)N MCULE-8490374775 [0,0,0,0,0,0|2,0,0]=2 273 B4R0.1 NNC(=S)N MCULE-2970024636 [0,0,0,0,0,0|2,0,0]=2 274 B4R0.1 NNC(=S)N MCULE-6378380063 [0,0,0,0,0,0|2,0,0]=2 275 B4R0.1 O=C(Br)CBr MCULE-6031858200 [0,0,0,0,0,0|4,0,0]=4 276 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [0,0,0,0,0,0|4,0,0]=4 277 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [0,0,0,0,0,0|4,0,0]=4 278 B4R0.1 O=C(Cl)CF MCULE-7182087882 [0,0,0,0,0,0|4,0,0]=4 279 B4R0.1 O=C(Cl)CI MCULE-5719121455 [0,0,0,0,0,0|4,0,0]=4 280 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [0,0,0,0,0,0|4,0,0]=4 281 B4R0.1 O=C(O)CBr MCULE-1503716137 [0,0,0,0,0,0|4,0,0]=4 282 B4R0.1 O=C(O)CCl MCULE-9228754880 [0,0,0,0,0,0|4,0,0]=4 283 B4R0.1 O=C(O)CF MCULE-6584094437 [0,0,0,0,0,0|4,0,0]=4 284 B4R0.1 O=C(O)CI MCULE-3146792857 [0,0,0,0,0,0|4,0,0]=4 285 B4R0.1 O=C(O)CO MCULE-9792551388 [0,0,0,0,0,0|3,0,0]=3 286 B4R0.1 O=C(O)CS MCULE-8097997001 [0,0,0,0,0,0|3,1,0]=4 287 B4R0.1 O=C([O-])CF MCULE-8428965857 [0,0,0,0,0,0|4,0,0]=4 288 B4R0.1 O=C([O-])CO MCULE-2780567509 [0,0,0,0,0,0|3,0,0]=3 289 B4R0.1 O=C([O-])CS MCULE-3314809220 [0,0,0,0,0,0|3,1,0]=4 290 B4R0.1 O=C([O-])CS MCULE-5989133747 [0,0,0,0,0,0|3,1,0]=4 291 B4R0.1 O=CC(=O)O MCULE-5307898766 [0,0,0,0,0,0|3,0,1]=4 292 B4R0.1 O=S(O)CO MCULE-4195832185 [0,0,0,0,0,0|4,0,0]=4 293 B4R0.1 O=S([O-])CO MCULE-5211722344 [0,0,0,0,0,0|4,0,0]=4 294 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [0,0,0,0,0,0|3,0,1]=4 295 B4R0.1 OCC(F)Br MCULE-5466660542 [0,0,0,0,0,0|3,0,1]=4 296 B4R0.1 OCC(F)F MCULE-3252378943 [0,0,0,0,0,0|3,0,1]=4 297 B4R0.1 ON=C(Br)Br MCULE-4053513648 [0,0,0,0,0,0|2,0,1]=3 298 B4R0.1 [NH3+]NC(=N)N MCULE-6971198355 [0,0,0,0,0,0|1,0,0]=1 299 B3R0.1 Br/C=C/Br MCULE-6284547614 [1,0,0,0,0,0|3,0,0]=4 300 B3R0.1 BrC=CBr MCULE-4478409345 [1,0,0,0,0,0|3,0,0]=4 301 B3R0.1 C#CC=O MCULE-4187736819 [1,0,0,0,0,0|3,0,0]=4 302 B3R0.1 C#CCN MCULE-3201948975 [1,0,0,0,0,0|2,0,1]=4 303 B3R0.1 C#CCN MCULE-6286515491 [1,0,0,0,0,0|2,0,1]=4 304 B3R0.1 C#CCO MCULE-3909200923 [1,0,0,0,0,0|2,0,1]=4 305 B3R0.1 C/B=N/O MCULE-5227399299 [1,0,0,0,0,0|2,0,1]=4 306 B3R0.1 C/C=C/Br MCULE-4076369660 [1,0,0,0,0,0|3,0,0]=4 307 B3R0.1 C/C=N/O MCULE-2376410404 [1,0,0,0,0,0|1,0,1]=3 308 B3R0.1 C=CC#N MCULE-8176403366 [1,0,0,0,0,0|3,0,0]=4 309 B3R0.1 C=CC=C MCULE-4134157329 [1,0,0,0,0,0|3,0,0]=4 310 B3R0.1 C=CC=O MCULE-2104890669 [1,0,0,0,0,0|2,0,1]=4 311 B3R0.1 C=CCBr MCULE-9486454833 [1,0,0,0,0,0|3,0,0]=4 312 B3R0.1 C=CCC MCULE-8167907130 [1,0,0,0,0,0|3,0,0]=4 313 B3R0.1 C=CCCl MCULE-4067772785 [1,0,0,0,0,0|3,0,0]=4 314 B3R0.1 C=CCF MCULE-7783191980 [1,0,0,0,0,0|3,0,0]=4 315 B3R0.1 C=CCI MCULE-5037698873 [1,0,0,0,0,0|3,0,0]=4 316 B3R0.1 C=CCN MCULE-2424616806 [1,0,0,0,0,0|2,0,1]=4 317 B3R0.1 C=CCN MCULE-2473480946 [1,0,0,0,0,0|2,0,1]=4 318 B3R0.1 C=CCO MCULE-2145308838 [1,0,0,0,0,0|2,0,0]=3 319 B3R0.1 C=CCS MCULE-7270484838 [1,0,0,0,0,0|2,1,0]=4 320 B3R0.1 C=COC MCULE-4880746684 [1,0,0,0,0,0|3,0,0]=4 321 B3R0.1 CC=CBr MCULE-2098755460 [1,0,0,0,0,0|3,0,0]=4 322 B3R0.1 CC=CCl MCULE-9225887510 [1,0,0,0,0,0|3,0,0]=4 323 B3R0.1 CC=NO MCULE-9761317381 [1,0,0,0,0,0|1,0,1]=3 324 B3R0.1 CCC=O MCULE-4079744837 [1,0,0,0,0,0|3,0,0]=4 325 B3R0.1 CCCN MCULE-2885523792 [1,0,0,0,0,0|2,0,1]=4 326 B3R0.1 CCCN MCULE-4318907091 [1,0,0,0,0,0|2,0,1]=4 327 B3R0.1 CCCN MCULE-6330457870 [1,0,0,0,0,0|2,0,1]=4 328 B3R0.1 CCCN MCULE-7146820007 [1,0,0,0,0,0|2,0,1]=4 329 B3R0.1 CCCO MCULE-6252105126 [1,0,0,0,0,0|2,0,1]=4 330 B3R0.1 CCNC MCULE-7215376398 [1,0,0,0,0,0|2,0,1]=4 331 B3R0.1 CCNC MCULE-9811899205 [1,0,0,0,0,0|2,0,1]=4 332 B3R0.1 CCNN MCULE-4753127904 [1,0,0,0,0,0|2,0,1]=4 333 B3R0.1 CCNN MCULE-7630363192 [1,0,0,0,0,0|2,0,1]=4 334 B3R0.1 CCNN MCULE-8402230944 [1,0,0,0,0,0|2,0,1]=4 335 B3R0.1 CCNO MCULE-1215586669 [1,0,0,0,0,0|1,0,1]=3 336 B3R0.1 CCNO MCULE-7075818857 [1,0,0,0,0,0|1,0,1]=3 337 B3R0.1 CCON MCULE-5316082054 [1,0,0,0,0,0|3,0,0]=4 338 B3R0.1 CCON MCULE-6621418839 [1,0,0,0,0,0|3,0,0]=4 339 B3R0.1 CNC#N MCULE-9135475289 [1,0,0,0,0,0|1,0,2]=4 340 B3R0.1 CNC=O MCULE-4739122677 [1,0,0,0,0,0|2,0,0]=3 341 B3R0.1 CNC=S MCULE-1018523469 [1,0,0,0,0,0|2,0,0]=3 342 B3R0.1 CNNC MCULE-5932476941 [1,0,0,0,0,0|3,0,0]=4 343 B3R0.1 CNNC MCULE-6419598860 [1,0,0,0,0,0|3,0,0]=4 344 B3R0.1 CNOC MCULE-1706082503 [1,0,0,0,0,0|3,0,0]=4 345 B3R0.1 CNOC MCULE-6224540090 [1,0,0,0,0,0|3,0,0]=4 346 B3R0.1 COC=O MCULE-9122749354 [1,0,0,0,0,0|3,0,0]=4 347 B3R0.1 Cl/C=C/Cl MCULE-8326307647 [1,0,0,0,0,0|3,0,0]=4 348 B3R0.1 Cl/C=C\Cl MCULE-8638364223 [1,0,0,0,0,0|3,0,0]=4 349 B3R0.1 ClC=CCl MCULE-1709740532 [1,0,0,0,0,0|3,0,0]=4 350 B3R0.1 F/C=C/Cl MCULE-6748930384 [1,0,0,0,0,0|3,0,0]=4 351 B3R0.1 FC=CBr MCULE-3730796032 [1,0,0,0,0,0|3,0,0]=4 352 B3R0.1 FC=CCl MCULE-8668714110 [1,0,0,0,0,0|3,0,0]=4 353 B3R0.1 FC=CF MCULE-1668825245 [1,0,0,0,0,0|3,0,0]=4 354 B3R0.1 N#CCN MCULE-6677928349 [1,0,0,0,0,0|2,0,1]=4 355 B3R0.1 N#CCN MCULE-6699419972 [1,0,0,0,0,0|2,0,1]=4 356 B3R0.1 N/C=N/O MCULE-9567664507 [1,0,0,0,0,0|0,0,1]=2 357 B3R0.1 NCCBr MCULE-3401124597 [1,0,0,0,0,0|2,0,1]=4 358 B3R0.1 NCCBr MCULE-6215378497 [1,0,0,0,0,0|2,0,1]=4 359 B3R0.1 NCCCl MCULE-1458699843 [1,0,0,0,0,0|2,0,1]=4 360 B3R0.1 NCCCl MCULE-6944306112 [1,0,0,0,0,0|2,0,1]=4 361 B3R0.1 NCCF MCULE-1670520169 [1,0,0,0,0,0|2,0,1]=4 362 B3R0.1 NCCF MCULE-4963351029 [1,0,0,0,0,0|2,0,1]=4 363 B3R0.1 NCCI MCULE-6905308399 [1,0,0,0,0,0|2,0,1]=4 364 B3R0.1 NCCI MCULE-7487764362 [1,0,0,0,0,0|2,0,1]=4 365 B3R0.1 NCCN MCULE-4740333723 [1,0,0,0,0,0|2,0,1]=4 366 B3R0.1 NCCN MCULE-6795272853 [1,0,0,0,0,0|2,0,1]=4 367 B3R0.1 NCCN MCULE-8304126024 [1,0,0,0,0,0|2,0,1]=4 368 B3R0.1 NCCN MCULE-8325612144 [1,0,0,0,0,0|2,0,1]=4 369 B3R0.1 NCCO MCULE-5175116598 [1,0,0,0,0,0|1,0,1]=3 370 B3R0.1 NCCO MCULE-8624730373 [1,0,0,0,0,0|1,0,1]=3 371 B3R0.1 NCCS MCULE-1838427828 [1,0,0,0,0,0|1,1,1]=4 372 B3R0.1 NCCS MCULE-2418938683 [1,0,0,0,0,0|1,1,1]=4 373 B3R0.1 NNC=O MCULE-6986968107 [1,0,0,0,0,0|2,0,0]=3 374 B3R0.1 NOC=O MCULE-4489199776 [1,0,0,0,0,0|2,0,1]=4 375 B3R0.1 O=CC=O MCULE-3212938778 [1,0,0,0,0,0|2,0,1]=4 376 B3R0.1 O=CCBr MCULE-9076011270 [1,0,0,0,0,0|3,0,0]=4 377 B3R0.1 O=CCCl MCULE-7307216184 [1,0,0,0,0,0|3,0,0]=4 378 B3R0.1 O=CCI MCULE-1146810366 [1,0,0,0,0,0|3,0,0]=4 379 B3R0.1 OCCBr MCULE-5097256006 [1,0,0,0,0,0|2,0,1]=4 380 B3R0.1 OCCCl MCULE-5139580173 [1,0,0,0,0,0|2,0,1]=4 381 B3R0.1 OCCF MCULE-7590677201 [1,0,0,0,0,0|2,0,1]=4 382 B3R0.1 OCCI MCULE-8359750387 [1,0,0,0,0,0|2,0,1]=4 383 B3R0.1 OCCO MCULE-6366313128 [1,0,0,0,0,0|2,0,1]=4 384 B3R0.1 OCCS MCULE-2252943288 [1,0,0,0,0,0|2,0,1]=4 385 B3R0.2 C=C(C)Br MCULE-7805530064 [1,0,0,0,0,0|3,0,0]=4 386 B3R0.2 C=C(C)C MCULE-5640095130 [1,0,0,0,0,0|3,0,0]=4 387 B3R0.2 C=C(C)Cl MCULE-1752401095 [1,0,0,0,0,0|3,0,0]=4 388 B3R0.2 C=C(C)F MCULE-3213198231 [1,0,0,0,0,0|3,0,0]=4 389 B3R0.2 C=C(Cl)Cl MCULE-1430323756 [1,0,0,0,0,0|3,0,0]=4 390 B3R0.2 C=C(F)Cl MCULE-8528897253 [1,0,0,0,0,0|3,0,0]=4 391 B3R0.2 C=C(F)F MCULE-2471767745 [1,0,0,0,0,0|3,0,0]=4 392 B3R0.2 CB(O)O MCULE-3510763826 [1,0,0,0,0,0|3,0,0]=4 393 B3R0.2 CC(=N)N MCULE-3235425606 [1,0,0,0,0,0|1,0,0]=2 394 B3R0.2 CC(=N)N MCULE-3546679379 [1,0,0,0,0,0|1,0,0]=2 395 B3R0.2 CC(=N)N MCULE-3597638887 [1,0,0,0,0,0|1,0,0]=2 396 B3R0.2 CC(=N)N MCULE-9831274654 [1,0,0,0,0,0|1,0,0]=2 397 B3R0.2 CC(=O)Br MCULE-4892265063 [1,0,0,0,0,0|2,0,1]=4 398 B3R0.2 CC(=O)C MCULE-6679625040 [1,0,0,0,0,0|2,0,1]=4 399 B3R0.2 CC(=O)Cl MCULE-9041746362 [1,0,0,0,0,0|2,0,1]=4 400 B3R0.2 CC(=O)I MCULE-4812718701 [1,0,0,0,0,0|2,0,1]=4 401 B3R0.2 CC(=O)N MCULE-9280264861 [1,0,0,0,0,0|1,0,1]=3 402 B3R0.2 CC(=O)O MCULE-1502330578 [1,0,0,0,0,0|2,0,0]=3 403 B3R0.2 CC(=O)O MCULE-5514028500 [1,0,0,0,0,0|2,0,0]=3 404 B3R0.2 CC(=O)O MCULE-5942589566 [1,0,0,0,0,0|2,0,0]=3 405 B3R0.2 CC(=O)O MCULE-6780070129 [1,0,0,0,0,0|2,0,0]=3 406 B3R0.2 CC(=O)O MCULE-8295936189 [1,0,0,0,0,0|2,0,0]=3 407 B3R0.2 CC(=O)O MCULE-9103972283 [1,0,0,0,0,0|2,0,0]=3 408 B3R0.2 CC(=O)O MCULE-9900518424 [1,0,0,0,0,0|2,0,0]=3 409 B3R0.2 CC(=O)S MCULE-5769447035 [1,0,0,0,0,0|2,0,1]=4 410 B3R0.2 CC(=O)[O-] MCULE-2314460022 [1,0,0,0,0,0|2,0,1]=4 411 B3R0.2 CC(=O)[O-] MCULE-2960771771 [1,0,0,0,0,0|2,0,1]=4 412 B3R0.2 CC(=O)[O-] MCULE-5334052410 [1,0,0,0,0,0|2,0,1]=4 413 B3R0.2 CC(=O)[O-] MCULE-5482908386 [1,0,0,0,0,0|2,0,1]=4 414 B3R0.2 CC(=O)[O-] MCULE-9723570182 [1,0,0,0,0,0|2,0,1]=4 415 B3R0.2 CC(=O)[O-] MCULE-9910426896 [1,0,0,0,0,0|2,0,1]=4 416 B3R0.2 CC(=S)N MCULE-4635097605 [1,0,0,0,0,0|1,1,0]=3 417 B3R0.2 CC(=S)[O-] MCULE-1878530758 [1,0,0,0,0,0|2,0,1]=4 418 B3R0.2 CC(C)N MCULE-1048799006 [1,0,0,0,0,0|2,0,1]=4 419 B3R0.2 CC(C)N MCULE-1125416142 [1,0,0,0,0,0|2,0,1]=4 420 B3R0.2 CC(C)N MCULE-2418429353 [1,0,0,0,0,0|2,0,1]=4 421 B3R0.2 CC(C)N MCULE-7280647435 [1,0,0,0,0,0|2,0,1]=4 422 B3R0.2 CC(C)O MCULE-6646752234 [1,0,0,0,0,0|2,0,1]=4 423 B3R0.2 CN(C)N MCULE-7177216911 [1,0,0,0,0,0|3,0,0]=4 424 B3R0.2 CN(C)N MCULE-8775366011 [1,0,0,0,0,0|3,0,0]=4 425 B3R0.2 CN(C)O MCULE-6572915706 [1,0,0,0,0,0|3,0,0]=4 426 B3R0.2 CN(C)O MCULE-6950647562 [1,0,0,0,0,0|3,0,0]=4 427 B3R0.2 CS(=O)N MCULE-5162949591 [1,0,0,0,0,0|2,0,1]=4 428 B3R0.2 CS(=O)O MCULE-8711306710 [1,0,0,0,0,0|3,0,0]=4 429 B3R0.2 C[Se](=O)O MCULE-5568767851 [1,0,0,0,0,0|3,0,0]=4 430 B3R0.2 N=C(N)Cl MCULE-4764134011 [1,0,0,0,0,0|1,0,0]=2 431 B3R0.2 N=C(N)Cl MCULE-7852054677 [1,0,0,0,0,0|1,0,0]=2 432 B3R0.2 N=C(N)N MCULE-1152750770 [1,0,0,0,0,0|0,0,0]=1 433 B3R0.2 N=C(N)N MCULE-1411566696 [1,0,0,0,0,0|0,0,0]=1 434 B3R0.2 N=C(N)N MCULE-4266731066 [1,0,0,0,0,0|0,0,0]=1 435 B3R0.2 N=C(N)N MCULE-5921771392 [1,0,0,0,0,0|0,0,0]=1 436 B3R0.2 N=C(N)N MCULE-6036914599 [1,0,0,0,0,0|0,0,0]=1 437 B3R0.2 N=C(N)N MCULE-6164013415 [1,0,0,0,0,0|0,0,0]=1 438 B3R0.2 N=C(N)N MCULE-9649225484 [1,0,0,0,0,0|0,0,0]=1 439 B3R0.2 NC(=O)N MCULE-3224868954 [1,0,0,0,0,0|1,0,0]=2 440 B3R0.2 NC(=O)N MCULE-8513891094 [1,0,0,0,0,0|1,0,0]=2 441 B3R0.2 NC(=O)O MCULE-1579038047 [1,0,0,0,0,0|1,0,0]=2 442 B3R0.2 NC(=O)O MCULE-3232812015 [1,0,0,0,0,0|1,0,0]=2 443 B3R0.2 NC(=S)N MCULE-5046264236 [1,0,0,0,0,0|1,0,0]=2 444 B3R0.2 NC(=S)S MCULE-6182511253 [1,0,0,0,0,0|1,1,0]=3 445 B3R0.2 NC(=S)[S-] MCULE-1680327465 [1,0,0,0,0,0|1,1,0]=3 446 B3R0.2 NC(=[Se])N MCULE-3936244532 [1,0,0,0,0,0|1,0,0]=2 447 B3R0.2 O=C(Cl)[Au] MCULE-6601882022 [1,0,0,0,0,0|2,0,1]=4 448 B3R0.2 O=C(O)O MCULE-3743781291 [1,0,0,0,0,0|2,0,0]=3 449 B3R0.2 O=C(O)O MCULE-6373078171 [1,0,0,0,0,0|2,0,0]=3 450 B3R0.2 O=C([O-])O MCULE-5529655359 [1,0,0,0,0,0|2,0,0]=3 451 B3R0.2 O=C([O-])O MCULE-7293729150 [1,0,0,0,0,0|2,0,0]=3 452 B3R0.2 O=C([O-])[O-] MCULE-1092668330 [1,0,0,0,0,0|2,0,1]=4 453 B3R0.2 O=C([O-])[O-] MCULE-1095103800 [1,0,0,0,0,0|2,0,1]=4 454 B3R0.2 O=C([O-])[O-] MCULE-1597066471 [1,0,0,0,0,0|2,0,1]=4 455 B3R0.2 O=C([O-])[O-] MCULE-2005483457 [1,0,0,0,0,0|2,0,1]=4 456 B3R0.2 O=C([O-])[O-] MCULE-3299525070 [1,0,0,0,0,0|2,0,1]=4 457 B3R0.2 O=C([O-])[O-] MCULE-4074516840 [1,0,0,0,0,0|2,0,1]=4 458 B3R0.2 O=C([O-])[O-] MCULE-4180727513 [1,0,0,0,0,0|2,0,1]=4 459 B3R0.2 O=C([O-])[O-] MCULE-4294265087 [1,0,0,0,0,0|2,0,1]=4 460 B3R0.2 O=C([O-])[O-] MCULE-5127021441 [1,0,0,0,0,0|2,0,1]=4 461 B3R0.2 O=C([O-])[O-] MCULE-5345790821 [1,0,0,0,0,0|2,0,1]=4 462 B3R0.2 O=C([O-])[O-] MCULE-6214917073 [1,0,0,0,0,0|2,0,1]=4 463 B3R0.2 O=C([O-])[O-] MCULE-6757968396 [1,0,0,0,0,0|2,0,1]=4 464 B3R0.2 O=C([O-])[O-] MCULE-7714638074 [1,0,0,0,0,0|2,0,1]=4 465 B3R0.2 O=C([O-])[O-] MCULE-8731559807 [1,0,0,0,0,0|2,0,1]=4 466 B3R0.2 O=I(=O)O MCULE-6335954469 [1,0,0,0,0,0|3,0,0]=4 467 B3R0.2 O=I(=O)O MCULE-7906123102 [1,0,0,0,0,0|3,0,0]=4 468 B3R0.2 O=N(=O)O MCULE-5926867268 [1,0,0,0,0,0|3,0,0]=4 469 B3R0.2 O=N(=O)O MCULE-8501453871 [1,0,0,0,0,0|3,0,0]=4 470 B3R0.2 O=P(=O)O MCULE-3007887617 [1,0,0,0,0,0|3,0,0]=4 471 B3R0.2 O=P(O)O MCULE-8889145943 [1,0,0,0,0,0|3,0,0]=4 472 B3R0.2 O=P([O-])O MCULE-3773885400 [1,0,0,0,0,0|3,0,0]=4 473 B3R0.2 O=P([O-])O MCULE-6745348516 [1,0,0,0,0,0|3,0,0]=4 474 B3R0.2 O=S(=O)O MCULE-7070708516 [1,0,0,0,0,0|3,0,0]=4 475 B3R0.2 O=S(O)O MCULE-3188569799 [1,0,0,0,0,0|3,0,0]=4 476 B3R0.2 O=S(O)O MCULE-7812738469 [1,0,0,0,0,0|3,0,0]=4 477 B3R0.2 O=[Se](O)O MCULE-9081277469 [1,0,0,0,0,0|3,0,0]=4 478 B3R0.2 O=[Si](O)O MCULE-3228936275 [1,0,0,0,0,0|2,1,0]=4 479 B3R0.2 OB(O)O MCULE-2905906674 [1,0,0,0,0,0|3,0,0]=4 480 B3R0.2 OB(O)O MCULE-8095091838 [1,0,0,0,0,0|3,0,0]=4 481 B3R0.2 OP(O)O MCULE-9313199709 [1,0,0,0,0,0|3,0,0]=4 482 B3R0.2 S=C(Cl)Cl MCULE-2150830304 [1,0,0,0,0,0|2,1,0]=4 483 B3R0.2 [O-]P([O-])O MCULE-1307635620 [1,0,0,0,0,0|3,0,0]=4 484 B3R0.2 [O-]P([O-])O MCULE-4722745097 [1,0,0,0,0,0|3,0,0]=4 485 B5R0.1 C(C)(N)CCO MCULE-5545469271 [0,1,0,0,0,0|2,0,1]=4 486 B5R0.1 C/C(=C/C#N)/N MCULE-2195544039 [0,1,0,0,0,0|3,0,0]=4 487 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [0,1,0,0,0,0|3,0,0]=4 488 B5R0.1 C=C(Br)CCO MCULE-3743908958 [0,1,0,0,0,0|3,0,0]=4 489 B5R0.1 C=C(Br)COC MCULE-5349428431 [0,1,0,0,0,0|3,0,0]=4 490 B5R0.1 C=C(C)CCO MCULE-2689800711 [0,1,0,0,0,0|3,0,0]=4 491 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,1,0,0,0,0|3,0,0]=4 492 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,1,0,0,0,0|3,0,0]=4 493 B5R0.1 C=C(C)CNN MCULE-1117931770 [0,1,0,0,0,0|3,0,0]=4 494 B5R0.1 C=C(C)CON MCULE-2773974323 [0,1,0,0,0,0|3,0,0]=4 495 B5R0.1 C=C(C)CON MCULE-5978680243 [0,1,0,0,0,0|3,0,0]=4 496 B5R0.1 C=CCC(=N)N MCULE-6305125234 [0,1,0,0,0,0|2,0,0]=3 497 B5R0.1 C=CCC(=O)N MCULE-1205335257 [0,1,0,0,0,0|3,0,0]=4 498 B5R0.1 C=CNC(=O)C MCULE-1260296806 [0,1,0,0,0,0|3,0,0]=4 499 B5R0.1 C=CNC(=O)N MCULE-4235216182 [0,1,0,0,0,0|2,0,0]=3 500 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,1,0,0,0,0|2,0,1]=4 501 B5R0.1 C=NCC(=S)N MCULE-6261527142 [0,1,0,0,0,0|2,0,1]=4 502 B5R0.1 CC(=CC#N)N MCULE-7342293837 [0,1,0,0,0,0|3,0,0]=4 503 B5R0.1 CC(=CC=O)N MCULE-2659507627 [0,1,0,0,0,0|2,0,1]=4 504 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,1,0,0,0,0|3,0,0]=4 505 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,1,0,0,0,0|3,0,0]=4 506 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,1,0,0,0,0|3,0,0]=4 507 B5R0.1 CC(=N)NC#N MCULE-7065360421 [0,1,0,0,0,0|2,0,0]=3 508 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,1,0,0,0,0|2,0,1]=4 509 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,1,0,0,0,0|2,0,1]=4 510 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,1,0,0,0,0|2,0,1]=4 511 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,1,0,0,0,0|3,0,0]=4 512 B5R0.1 CC(=O)NC#N MCULE-8444599659 [0,1,0,0,0,0|3,0,0]=4 513 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,1,0,0,0,0|2,0,0]=3 514 B5R0.1 CC(N)CCO MCULE-1771399942 [0,1,0,0,0,0|2,0,1]=4 515 B5R0.1 CC(N)CCO MCULE-7239872808 [0,1,0,0,0,0|2,0,1]=4 516 B5R0.1 CC=CC(=O)N MCULE-9693879476 [0,1,0,0,0,0|3,0,0]=4 517 B5R0.1 CCCC(=N)N MCULE-5974105638 [0,1,0,0,0,0|2,0,0]=3 518 B5R0.1 CCCC(=N)N MCULE-9230704591 [0,1,0,0,0,0|2,0,0]=3 519 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,1,0,0,0,0|3,0,0]=4 520 B5R0.1 CCCC(=S)N MCULE-3529335988 [0,1,0,0,0,0|3,0,0]=4 521 B5R0.1 CCNC(=N)N MCULE-4729418155 [0,1,0,0,0,0|1,0,0]=2 522 B5R0.1 CCNC(=N)N MCULE-5123343071 [0,1,0,0,0,0|1,0,0]=2 523 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,1,0,0,0,0|3,0,0]=4 524 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [0,1,0,0,0,0|3,0,0]=4 525 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,1,0,0,0,0|2,0,0]=3 526 B5R0.1 CCNC(=S)N MCULE-3849517146 [0,1,0,0,0,0|2,0,0]=3 527 B5R0.1 CCOC(=N)C MCULE-3060267072 [0,1,0,0,0,0|3,0,0]=4 528 B5R0.1 CCOC(=N)C MCULE-3943786182 [0,1,0,0,0,0|3,0,0]=4 529 B5R0.1 CCOC(=N)N MCULE-3570858508 [0,1,0,0,0,0|2,0,0]=3 530 B5R0.1 CCOC(=N)N MCULE-6061063856 [0,1,0,0,0,0|2,0,0]=3 531 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,1,0,0,0,0|3,0,0]=4 532 B5R0.1 CCOC(=S)N MCULE-4649285010 [0,1,0,0,0,0|3,0,0]=4 533 B5R0.1 CCSC(=N)N MCULE-2161729152 [0,1,0,0,0,0|2,0,0]=3 534 B5R0.1 CCSC(=N)N MCULE-2547252984 [0,1,0,0,0,0|2,0,0]=3 535 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [0,1,0,0,0,0|1,0,1]=3 536 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [0,1,0,0,0,0|2,0,1]=4 537 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [0,1,0,0,0,0|2,0,1]=4 538 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,1,0,0,0,0|3,0,0]=4 539 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,1,0,0,0,0|3,0,0]=4 540 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,1,0,0,0,0|2,0,0]=3 541 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,1,0,0,0,0|2,0,0]=3 542 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,1,0,0,0,0|2,0,0]=3 543 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,1,0,0,0,0|3,0,0]=4 544 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,1,0,0,0,0|3,0,0]=4 545 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,1,0,0,0,0|3,0,0]=4 546 B5R0.1 CNN=C(C)C MCULE-6307375856 [0,1,0,0,0,0|3,0,0]=4 547 B5R0.1 CNNC(=S)N MCULE-5838387497 [0,1,0,0,0,0|2,0,0]=3 548 B5R0.1 CNOC(=O)C MCULE-1464426541 [0,1,0,0,0,0|3,0,0]=4 549 B5R0.1 CNOC(=O)C MCULE-2976282666 [0,1,0,0,0,0|3,0,0]=4 550 B5R0.1 COC=C(C)C MCULE-6348538911 [0,1,0,0,0,0|3,0,0]=4 551 B5R0.1 COCC(=N)N MCULE-4711728356 [0,1,0,0,0,0|1,0,0]=2 552 B5R0.1 COCC(=N)N MCULE-7163250467 [0,1,0,0,0,0|1,0,0]=2 553 B5R0.1 COCC(=O)C MCULE-7262197587 [0,1,0,0,0,0|3,0,0]=4 554 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,1,0,0,0,0|3,0,0]=4 555 B5R0.1 COCC(=O)N MCULE-6674958132 [0,1,0,0,0,0|2,0,0]=3 556 B5R0.1 COCC(=O)O MCULE-3945589151 [0,1,0,0,0,0|3,0,0]=4 557 B5R0.1 COCC(=S)N MCULE-2046809269 [0,1,0,0,0,0|2,0,0]=3 558 B5R0.1 COCC(C)N MCULE-1896873634 [0,1,0,0,0,0|2,0,1]=4 559 B5R0.1 COCC(C)N MCULE-2549420211 [0,1,0,0,0,0|2,0,1]=4 560 B5R0.1 COCC(C)N MCULE-3490410444 [0,1,0,0,0,0|2,0,1]=4 561 B5R0.1 COCC(C)N MCULE-7089888882 [0,1,0,0,0,0|2,0,1]=4 562 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [0,1,0,0,0,0|2,0,1]=4 563 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [0,1,0,0,0,0|2,0,1]=4 564 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [0,1,0,0,0,0|2,0,1]=4 565 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [0,1,0,0,0,0|2,0,1]=4 566 B5R0.1 COC[C@H](C)N MCULE-2465679418 [0,1,0,0,0,0|2,0,1]=4 567 B5R0.1 COC[C@H](C)N MCULE-2998593539 [0,1,0,0,0,0|2,0,1]=4 568 B5R0.1 COC[C@H](C)N MCULE-3161045661 [0,1,0,0,0,0|2,0,1]=4 569 B5R0.1 COC[C@H](C)N MCULE-9550165578 [0,1,0,0,0,0|2,0,1]=4 570 B5R0.1 CONC(=O)C MCULE-6601866630 [0,1,0,0,0,0|2,0,0]=3 571 B5R0.1 CONC(=O)N MCULE-3063713861 [0,1,0,0,0,0|1,0,0]=2 572 B5R0.1 CONC(=S)C MCULE-1876042939 [0,1,0,0,0,0|2,0,0]=3 573 B5R0.1 CSCC(=N)N MCULE-7800929509 [0,1,0,0,0,0|1,1,0]=3 574 B5R0.1 CSCC(=N)N MCULE-8499985777 [0,1,0,0,0,0|1,1,0]=3 575 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,1,0,0,0,0|2,1,0]=4 576 B5R0.1 CSCC(=S)N MCULE-5029100305 [0,1,0,0,0,0|2,1,0]=4 577 B5R0.1 CSNC(=O)C MCULE-7350061514 [0,1,0,0,0,0|2,1,0]=4 578 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [0,1,0,0,0,0|2,0,1]=4 579 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [0,1,0,0,0,0|2,0,1]=4 580 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [0,1,0,0,0,0|2,0,1]=4 581 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [0,1,0,0,0,0|2,0,1]=4 582 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [0,1,0,0,0,0|2,0,1]=4 583 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [0,1,0,0,0,0|2,0,1]=4 584 B5R0.1 N#CCC(=O)N MCULE-8538286230 [0,1,0,0,0,0|3,0,0]=4 585 B5R0.1 N#CCC(=S)N MCULE-6348216099 [0,1,0,0,0,0|3,0,0]=4 586 B5R0.1 N#CCC(=[Se])N MCULE-7730610345 [0,1,0,0,0,0|3,0,0]=4 587 B5R0.1 N#CN=C(N)N MCULE-3951314719 [0,1,0,0,0,0|1,0,2]=4 588 B5R0.1 N=C(N)CCCl MCULE-2314996365 [0,1,0,0,0,0|2,0,0]=3 589 B5R0.1 N=C(N)CCCl MCULE-3129838313 [0,1,0,0,0,0|2,0,0]=3 590 B5R0.1 N=C(N)CCO MCULE-4567824707 [0,1,0,0,0,0|1,0,0]=2 591 B5R0.1 N=C(N)CCO MCULE-7139693715 [0,1,0,0,0,0|1,0,0]=2 592 B5R0.1 N=C(N)NC=O MCULE-2702198735 [0,1,0,0,0,0|0,0,1]=2 593 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [0,1,0,0,0,0|3,0,0]=4 594 B5R0.1 NC(=O)C=NO MCULE-6447662753 [0,1,0,0,0,0|1,0,1]=3 595 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,1,0,0,0,0|3,0,0]=4 596 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,1,0,0,0,0|3,0,0]=4 597 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,1,0,0,0,0|2,0,0]=3 598 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,1,0,0,0,0|2,1,0]=4 599 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,1,0,0,0,0|1,0,0]=2 600 B5R0.1 NC(=O)NN=O MCULE-2820469915 [0,1,0,0,0,0|1,0,1]=3 601 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,1,0,0,0,0|3,0,0]=4 602 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,1,0,0,0,0|3,0,0]=4 603 B5R0.1 NNCC(=O)N MCULE-2794619708 [0,1,0,0,0,0|2,0,0]=3 604 B5R0.1 NNCC(=O)N MCULE-6773156087 [0,1,0,0,0,0|2,0,0]=3 605 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,1,0,0,0,0|3,0,0]=4 606 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,1,0,0,0,0|3,0,0]=4 607 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,1,0,0,0,0|3,0,0]=4 608 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,1,0,0,0,0|3,0,0]=4 609 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,1,0,0,0,0|3,0,0]=4 610 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [0,1,0,0,0,0|2,0,1]=4 611 B5R0.1 O=C(O)C=NO MCULE-2039309679 [0,1,0,0,0,0|2,0,1]=4 612 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,1,0,0,0,0|3,0,0]=4 613 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,1,0,0,0,0|2,0,0]=3 614 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [0,1,0,0,0,0|3,0,0]=4 615 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [0,1,0,0,0,0|3,0,0]=4 616 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,1,0,0,0,0|3,0,0]=4 617 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [0,1,0,0,0,0|3,0,0]=4 618 B5R0.3 C#CC(=O)NC MCULE-8852565705 [0,1,0,0,0,0|3,0,0]=4 619 B5R0.3 C#CC(N)CO MCULE-2442851523 [0,1,0,0,0,0|2,0,1]=4 620 B5R0.3 C#CC(N)CO MCULE-3866086926 [0,1,0,0,0,0|2,0,1]=4 621 B5R0.3 C#C[C@H](N)CO MCULE-2312982984 [0,1,0,0,0,0|2,0,1]=4 622 B5R0.3 C#C[C@H](N)CO MCULE-8124038281 [0,1,0,0,0,0|2,0,1]=4 623 B5R0.3 C#C[C@H](N)CO MCULE-8753140181 [0,1,0,0,0,0|2,0,1]=4 624 B5R0.3 C#C[C@H](N)CO MCULE-9874393436 [0,1,0,0,0,0|2,0,1]=4 625 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [0,1,0,0,0,0|2,0,1]=4 626 B5R0.3 C/N=C(\N)/SC MCULE-1114021101 [0,1,0,0,0,0|2,0,0]=3 627 B5R0.3 C/N=C(\N)/SC MCULE-4249574209 [0,1,0,0,0,0|2,0,0]=3 628 B5R0.3 C=C(C#N)CO MCULE-4330549804 [0,1,0,0,0,0|2,0,1]=4 629 B5R0.3 C=C(CC)CN MCULE-2269385026 [0,1,0,0,0,0|3,0,0]=4 630 B5R0.3 C=C(CC)CN MCULE-3033447984 [0,1,0,0,0,0|3,0,0]=4 631 B5R0.3 C=C(CC)CO MCULE-8127766352 [0,1,0,0,0,0|3,0,0]=4 632 B5R0.3 C=C(CN)CN MCULE-5063132725 [0,1,0,0,0,0|3,0,0]=4 633 B5R0.3 C=C(CO)CBr MCULE-9563589949 [0,1,0,0,0,0|3,0,0]=4 634 B5R0.3 C=C(CO)CO MCULE-2682601949 [0,1,0,0,0,0|3,0,0]=4 635 B5R0.3 C=CC(=O)NC MCULE-5619481947 [0,1,0,0,0,0|3,0,0]=4 636 B5R0.3 C=CC(=O)NN MCULE-4327484127 [0,1,0,0,0,0|3,0,0]=4 637 B5R0.3 C=CC(=O)NN MCULE-4961696321 [0,1,0,0,0,0|3,0,0]=4 638 B5R0.3 C=CC(=O)NO MCULE-9528737042 [0,1,0,0,0,0|2,0,0]=3 639 B5R0.3 C=CC(N)CO MCULE-2457433196 [0,1,0,0,0,0|2,0,1]=4 640 B5R0.3 C=CC(N)CO MCULE-6697949182 [0,1,0,0,0,0|2,0,1]=4 641 B5R0.3 C=CC(N)CO MCULE-7137123222 [0,1,0,0,0,0|2,0,1]=4 642 B5R0.3 C=CC(N)CO MCULE-8388687355 [0,1,0,0,0,0|2,0,1]=4 643 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [0,1,0,0,0,0|2,0,1]=4 644 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [0,1,0,0,0,0|2,0,1]=4 645 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [0,1,0,0,0,0|2,0,1]=4 646 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [0,1,0,0,0,0|2,0,1]=4 647 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [0,1,0,0,0,0|2,0,1]=4 648 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [0,1,0,0,0,0|2,0,1]=4 649 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [0,1,0,0,0,0|2,0,1]=4 650 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [0,1,0,0,0,0|2,0,1]=4 651 B5R0.3 CC(=CI)CO MCULE-8491569199 [0,1,0,0,0,0|3,0,0]=4 652 B5R0.3 CC(=CN)C=O MCULE-5507488903 [0,1,0,0,0,0|2,0,1]=4 653 B5R0.3 CC(=NO)CS MCULE-9694340512 [0,1,0,0,0,0|2,0,1]=4 654 B5R0.3 CC(CN)CO MCULE-5880795484 [0,1,0,0,0,0|2,0,1]=4 655 B5R0.3 CC(CN)CO MCULE-8083007887 [0,1,0,0,0,0|2,0,1]=4 656 B5R0.3 CC(CO)NN MCULE-3362748538 [0,1,0,0,0,0|2,0,1]=4 657 B5R0.3 CC(CO)NN MCULE-4440318216 [0,1,0,0,0,0|2,0,1]=4 658 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [0,1,0,0,0,0|2,0,1]=4 659 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [0,1,0,0,0,0|1,0,1]=3 660 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [0,1,0,0,0,0|1,0,1]=3 661 B5R0.3 CCC(=N)OC MCULE-4123543795 [0,1,0,0,0,0|3,0,0]=4 662 B5R0.3 CCC(=N)OC MCULE-5346320805 [0,1,0,0,0,0|3,0,0]=4 663 B5R0.3 CCC(=NO)C MCULE-1859652505 [0,1,0,0,0,0|2,0,1]=4 664 B5R0.3 CCC(=O)CN MCULE-1863418812 [0,1,0,0,0,0|3,0,0]=4 665 B5R0.3 CCC(=O)CN MCULE-5831164340 [0,1,0,0,0,0|3,0,0]=4 666 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,1,0,0,0,0|3,0,0]=4 667 B5R0.3 CCC(=O)NC MCULE-5612060170 [0,1,0,0,0,0|3,0,0]=4 668 B5R0.3 CCC(=O)NN MCULE-1803705917 [0,1,0,0,0,0|3,0,0]=4 669 B5R0.3 CCC(=O)NO MCULE-1033164448 [0,1,0,0,0,0|2,0,0]=3 670 B5R0.3 CCC(C)NO MCULE-1247092627 [0,1,0,0,0,0|2,0,1]=4 671 B5R0.3 CCC(C)NO MCULE-6169819668 [0,1,0,0,0,0|2,0,1]=4 672 B5R0.3 CCC(N)CO MCULE-1135809021 [0,1,0,0,0,0|2,0,1]=4 673 B5R0.3 CCC(N)CO MCULE-7588854111 [0,1,0,0,0,0|2,0,1]=4 674 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [0,1,0,0,0,0|2,0,1]=4 675 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [0,1,0,0,0,0|2,0,1]=4 676 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [0,1,0,0,0,0|2,0,1]=4 677 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [0,1,0,0,0,0|2,0,1]=4 678 B5R0.3 CNC(=N)CO MCULE-3239749882 [0,1,0,0,0,0|1,0,0]=2 679 B5R0.3 CNC(=N)NC MCULE-7703075263 [0,1,0,0,0,0|1,0,0]=2 680 B5R0.3 CNC(=N)NN MCULE-4836793349 [0,1,0,0,0,0|1,0,0]=2 681 B5R0.3 CNC(=N)NN MCULE-5998297944 [0,1,0,0,0,0|1,0,0]=2 682 B5R0.3 CNC(=O)CBr MCULE-1439209307 [0,1,0,0,0,0|3,0,0]=4 683 B5R0.3 CNC(=O)CCl MCULE-1437904095 [0,1,0,0,0,0|3,0,0]=4 684 B5R0.3 CNC(=O)CI MCULE-1687694185 [0,1,0,0,0,0|3,0,0]=4 685 B5R0.3 CNC(=O)CN MCULE-1901033297 [0,1,0,0,0,0|2,0,0]=3 686 B5R0.3 CNC(=O)CN MCULE-8532774234 [0,1,0,0,0,0|2,0,0]=3 687 B5R0.3 CNC(=O)CO MCULE-5899226107 [0,1,0,0,0,0|2,0,0]=3 688 B5R0.3 CNC(=O)CS MCULE-7032391129 [0,1,0,0,0,0|2,1,0]=4 689 B5R0.3 CNC(=O)NC MCULE-5319497155 [0,1,0,0,0,0|2,0,0]=3 690 B5R0.3 CNC(=O)NN MCULE-2093843774 [0,1,0,0,0,0|2,0,0]=3 691 B5R0.3 CNC(=O)OC MCULE-1162861376 [0,1,0,0,0,0|3,0,0]=4 692 B5R0.3 CNC(=S)NC MCULE-7998520647 [0,1,0,0,0,0|2,0,0]=3 693 B5R0.3 CNC(=S)NN MCULE-3762018607 [0,1,0,0,0,0|2,0,0]=3 694 B5R0.3 CNC(C)CN MCULE-1599162912 [0,1,0,0,0,0|2,0,1]=4 695 B5R0.3 CNC(C)CN MCULE-1637391260 [0,1,0,0,0,0|2,0,1]=4 696 B5R0.3 CNC(C)CO MCULE-3841057780 [0,1,0,0,0,0|2,0,1]=4 697 B5R0.3 CNC(C)CO MCULE-6474892275 [0,1,0,0,0,0|2,0,1]=4 698 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [0,1,0,0,0,0|2,0,1]=4 699 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [0,1,0,0,0,0|2,0,1]=4 700 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [0,1,0,0,0,0|2,0,1]=4 701 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [0,1,0,0,0,0|2,0,1]=4 702 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [0,1,0,0,0,0|2,0,1]=4 703 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [0,1,0,0,0,0|2,0,1]=4 704 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [0,1,0,0,0,0|2,0,1]=4 705 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [0,1,0,0,0,0|2,0,1]=4 706 B5R0.3 COC(=N)CCl MCULE-2713131753 [0,1,0,0,0,0|3,0,0]=4 707 B5R0.3 COC(=N)CCl MCULE-6471252676 [0,1,0,0,0,0|3,0,0]=4 708 B5R0.3 COC(=O)CN MCULE-7462799100 [0,1,0,0,0,0|3,0,0]=4 709 B5R0.3 COC(=O)CN MCULE-8887061469 [0,1,0,0,0,0|3,0,0]=4 710 B5R0.3 COC(=O)CO MCULE-8734582763 [0,1,0,0,0,0|3,0,0]=4 711 B5R0.3 COC(=O)NN MCULE-2637794839 [0,1,0,0,0,0|3,0,0]=4 712 B5R0.3 COC(=S)NN MCULE-8717505617 [0,1,0,0,0,0|3,0,0]=4 713 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [0,1,0,0,0,0|2,0,1]=4 714 B5R0.3 CS/C(=N\N)/N MCULE-2245524081 [0,1,0,0,0,0|2,0,0]=3 715 B5R0.3 CS/C(=N\N)/N MCULE-6241847719 [0,1,0,0,0,0|2,0,0]=3 716 B5R0.3 CSC(=NO)C MCULE-1500524467 [0,1,0,0,0,0|2,0,1]=4 717 B5R0.3 CSC(=S)NN MCULE-2798461411 [0,1,0,0,0,0|3,0,0]=4 718 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [0,1,0,0,0,0|2,0,1]=4 719 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [0,1,0,0,0,0|2,0,1]=4 720 B5R0.3 N#CC(N)CO MCULE-5918855868 [0,1,0,0,0,0|1,0,2]=4 721 B5R0.3 N#CC(N)CO MCULE-8439000158 [0,1,0,0,0,0|1,0,2]=4 722 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [0,1,0,0,0,0|1,0,1]=3 723 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [0,1,0,0,0,0|1,0,0]=2 724 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [0,1,0,0,0,0|1,0,1]=3 725 B5R0.3 N=C(NN)NN MCULE-6449982700 [0,1,0,0,0,0|1,0,0]=2 726 B5R0.3 N=C(NN)NN MCULE-8241596253 [0,1,0,0,0,0|1,0,0]=2 727 B5R0.3 N=C(NN)NO MCULE-6419110297 [0,1,0,0,0,0|0,0,0]=1 728 B5R0.3 NC(CO)CF MCULE-3756808200 [0,1,0,0,0,0|2,0,1]=4 729 B5R0.3 NC(CO)CF MCULE-9468719402 [0,1,0,0,0,0|2,0,1]=4 730 B5R0.3 NC(CO)CO MCULE-1559988016 [0,1,0,0,0,0|2,0,1]=4 731 B5R0.3 NC(CO)CO MCULE-4954119952 [0,1,0,0,0,0|2,0,1]=4 732 B5R0.3 NCC(=O)CN MCULE-2420991481 [0,1,0,0,0,0|3,0,0]=4 733 B5R0.3 NCC(=O)CN MCULE-8626789745 [0,1,0,0,0,0|3,0,0]=4 734 B5R0.3 NCC(=O)NN MCULE-2318099199 [0,1,0,0,0,0|2,0,0]=3 735 B5R0.3 NCC(=O)NN MCULE-3392354502 [0,1,0,0,0,0|2,0,0]=3 736 B5R0.3 NCC(=O)NO MCULE-5417617455 [0,1,0,0,0,0|1,0,0]=2 737 B5R0.3 NCC(F)CO MCULE-6156319956 [0,1,0,0,0,0|2,0,1]=4 738 B5R0.3 NCC(F)CO MCULE-7472307328 [0,1,0,0,0,0|2,0,1]=4 739 B5R0.3 NCC(O)CO MCULE-2689763818 [0,1,0,0,0,0|2,0,1]=4 740 B5R0.3 NCC(O)CO MCULE-6096620010 [0,1,0,0,0,0|2,0,1]=4 741 B5R0.3 NCC(O)CO MCULE-7307777212 [0,1,0,0,0,0|2,0,1]=4 742 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [0,1,0,0,0,0|2,0,1]=4 743 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [0,1,0,0,0,0|2,0,1]=4 744 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [0,1,0,0,0,0|1,0,2]=4 745 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [0,1,0,0,0,0|1,0,2]=4 746 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [0,1,0,0,0,0|2,0,1]=4 747 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [0,1,0,0,0,0|2,0,1]=4 748 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [0,1,0,0,0,0|2,0,1]=4 749 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [0,1,0,0,0,0|2,0,1]=4 750 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [0,1,0,0,0,0|2,0,1]=4 751 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [0,1,0,0,0,0|2,0,1]=4 752 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [0,1,0,0,0,0|1,0,2]=4 753 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [0,1,0,0,0,0|1,0,2]=4 754 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [0,1,0,0,0,0|2,0,1]=4 755 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [0,1,0,0,0,0|2,0,1]=4 756 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [0,1,0,0,0,0|2,0,1]=4 757 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [0,1,0,0,0,0|2,0,1]=4 758 B5R0.3 NNC(=O)CCl MCULE-2158347473 [0,1,0,0,0,0|3,0,0]=4 759 B5R0.3 NNC(=O)CCl MCULE-9762553206 [0,1,0,0,0,0|3,0,0]=4 760 B5R0.3 NNC(=O)CO MCULE-8443636349 [0,1,0,0,0,0|2,0,0]=3 761 B5R0.3 NNC(=O)CS MCULE-4913925166 [0,1,0,0,0,0|2,1,0]=4 762 B5R0.3 NNC(=O)NN MCULE-8522412568 [0,1,0,0,0,0|2,0,0]=3 763 B5R0.3 NNC(=O)NO MCULE-7106168898 [0,1,0,0,0,0|1,0,0]=2 764 B5R0.3 NNC(=S)NN MCULE-1599893212 [0,1,0,0,0,0|2,0,0]=3 765 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [0,1,0,0,0,0|2,0,1]=4 766 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [0,1,0,0,0,0|2,0,1]=4 767 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [0,1,0,0,0,0|2,0,1]=4 768 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [0,1,0,0,0,0|2,0,1]=4 769 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [0,1,0,0,0,0|2,0,1]=4 770 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [0,1,0,0,0,0|2,0,1]=4 771 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [0,1,0,0,0,0|2,0,1]=4 772 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [0,1,0,0,0,0|2,0,1]=4 773 B5R0.3 O=C(CO)CO MCULE-7188810449 [0,1,0,0,0,0|3,0,0]=4 774 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [0,1,0,0,0,0|3,0,0]=4 775 B5R0.3 O=CC(=O)CO MCULE-7273475675 [0,1,0,0,0,0|3,0,0]=4 776 B5R0.3 [NH2+]=C(NN)NN MCULE-1481511174 [0,1,0,0,0,0|1,0,1]=3 777 B5R0.4 CC(C)(C)NO MCULE-4676405280 [0,1,0,0,0,0|2,0,1]=4 778 B5R0.4 CC(C)(C)NO MCULE-6482556352 [0,1,0,0,0,0|2,0,1]=4 779 B5R0.4 CC(C)(C)NO MCULE-7368313644 [0,1,0,0,0,0|2,0,1]=4 780 B5R0.4 CC(C)(N)CO MCULE-4072416202 [0,1,0,0,0,0|2,0,1]=4 781 B5R0.4 CC(C)(N)CO MCULE-4209651459 [0,1,0,0,0,0|2,0,1]=4 782 B5R0.4 CC(C)(N)CO MCULE-6047079177 [0,1,0,0,0,0|2,0,1]=4 783 B5R0.4 CNS(=O)(=O)N MCULE-9326041427 [0,1,0,0,0,0|3,0,0]=4 784 B5R0.4 CS(=O)(=O)NO MCULE-6576734604 [0,1,0,0,0,0|3,0,0]=4 785 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,1,0,0,0,0|3,0,0]=4 786 B5R0.5 C=C(C)B(O)O MCULE-1381151629 [0,1,0,0,0,0|3,0,0]=4 787 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,1,0,0,0,0|3,0,0]=4 788 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,1,0,0,0,0|3,0,0]=4 789 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,1,0,0,0,0|3,0,0]=4 790 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,1,0,0,0,0|3,0,0]=4 791 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,1,0,0,0,0|3,0,0]=4 792 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,1,0,0,0,0|2,0,1]=4 793 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,1,0,0,0,0|3,0,0]=4 794 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,1,0,0,0,0|2,0,1]=4 795 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,1,0,0,0,0|3,0,0]=4 796 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,1,0,0,0,0|3,0,0]=4 797 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,1,0,0,0,0|3,0,0]=4 798 B5R0.5 CC(=S)N(C)C MCULE-6797990305 [0,1,0,0,0,0|3,0,0]=4 799 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,1,0,0,0,0|3,0,0]=4 800 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [0,1,0,0,0,0|2,0,0]=3 801 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [0,1,0,0,0,0|2,0,0]=3 802 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,1,0,0,0,0|3,0,0]=4 803 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [0,1,0,0,0,0|3,0,0]=4 804 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [0,1,0,0,0,0|2,0,0]=3 805 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [0,1,0,0,0,0|2,0,0]=3 806 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,1,0,0,0,0|3,0,0]=4 807 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,1,0,0,0,0|3,0,0]=4 808 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,1,0,0,0,0|3,0,0]=4 809 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,1,0,0,0,0|3,0,0]=4 810 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,1,0,0,0,0|3,0,0]=4 811 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,1,0,0,0,0|3,0,0]=4 812 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,1,0,0,0,0|3,0,0]=4 813 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,1,0,0,0,0|3,0,0]=4 814 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,1,0,0,0,0|2,0,1]=4 815 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,1,0,0,0,0|2,0,1]=4 816 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,1,0,0,0,0|2,0,1]=4 817 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,1,0,0,0,0|2,0,1]=4 818 B5R0.5 CC(N)C(C)O MCULE-3512899672 [0,1,0,0,0,0|2,0,1]=4 819 B5R0.5 CC(N)C(C)O MCULE-6286987696 [0,1,0,0,0,0|2,0,1]=4 820 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,1,0,0,0,0|1,0,0]=2 821 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,1,0,0,0,0|1,0,0]=2 822 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,1,0,0,0,0|2,0,0]=3 823 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,1,0,0,0,0|2,0,0]=3 824 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,1,0,0,0,0|3,0,0]=4 825 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,1,0,0,0,0|3,0,0]=4 826 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,1,0,0,0,0|3,0,0]=4 827 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,1,0,0,0,0|3,0,0]=4 828 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,1,0,0,0,0|3,0,0]=4 829 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,1,0,0,0,0|2,1,0]=4 830 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [0,1,0,0,0,0|1,0,0]=2 831 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [0,1,0,0,0,0|1,0,0]=2 832 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [0,1,0,0,0,0|1,0,0]=2 833 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [0,1,0,0,0,0|1,0,0]=2 834 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [0,1,0,0,0,0|3,0,0]=4 835 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,1,0,0,0,0|2,0,0]=3 836 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,1,0,0,0,0|3,0,0]=4 837 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [0,1,0,0,0,0|3,0,0]=4 838 B5R0.5 CN(C)C(=S)Cl MCULE-5232126468 [0,1,0,0,0,0|3,0,0]=4 839 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [0,1,0,0,0,0|2,0,0]=3 840 B5R0.5 CN(C)C(=S)S MCULE-4296425055 [0,1,0,0,0,0|3,0,0]=4 841 B5R0.5 CN(C)C(=S)S MCULE-5159570847 [0,1,0,0,0,0|3,0,0]=4 842 B5R0.5 CN(C)C(=S)[S-] MCULE-6390941151 [0,1,0,0,0,0|3,0,0]=4 843 B5R0.5 CN(C)C(=S)[S-] MCULE-7709633048 [0,1,0,0,0,0|3,0,0]=4 844 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,1,0,0,0,0|2,0,0]=3 845 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [0,1,0,0,0,0|2,0,0]=3 846 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,1,0,0,0,0|3,0,0]=4 847 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,1,0,0,0,0|3,0,0]=4 848 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,1,0,0,0,0|3,0,0]=4 849 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,1,0,0,0,0|3,0,0]=4 850 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,1,0,0,0,0|3,0,0]=4 851 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,1,0,0,0,0|2,0,1]=4 852 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,1,0,0,0,0|2,0,1]=4 853 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [0,1,0,0,0,0|2,0,1]=4 854 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [0,1,0,0,0,0|2,0,1]=4 855 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [0,1,0,0,0,0|2,0,1]=4 856 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [0,1,0,0,0,0|2,0,1]=4 857 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [0,1,0,0,0,0|2,0,1]=4 858 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,1,0,0,0,0|1,0,0]=2 859 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,1,0,0,0,0|1,0,0]=2 860 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,1,0,0,0,0|1,0,0]=2 861 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,1,0,0,0,0|1,0,0]=2 862 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,1,0,0,0,0|2,0,0]=3 863 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,1,0,0,0,0|2,0,0]=3 864 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,1,0,0,0,0|3,0,0]=4 865 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,1,0,0,0,0|3,0,0]=4 866 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,1,0,0,0,0|3,0,0]=4 867 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,1,0,0,0,0|3,0,0]=4 868 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,1,0,0,0,0|3,0,0]=4 869 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,1,0,0,0,0|3,0,0]=4 870 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,1,0,0,0,0|3,0,0]=4 871 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,1,0,0,0,0|3,0,0]=4 872 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,1,0,0,0,0|3,0,0]=4 873 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,1,0,0,0,0|3,0,0]=4 874 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,1,0,0,0,0|3,0,0]=4 875 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,1,0,0,0,0|3,0,0]=4 876 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,1,0,0,0,0|3,0,0]=4 877 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,1,0,0,0,0|3,0,0]=4 878 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,1,0,0,0,0|2,0,1]=4 879 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,1,0,0,0,0|2,0,1]=4 880 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,1,0,0,0,0|2,0,1]=4 881 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,1,0,0,0,0|2,0,1]=4 882 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [0,1,0,0,0,0|2,0,1]=4 883 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [0,1,0,0,0,0|2,0,1]=4 884 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [0,1,0,0,0,0|2,0,1]=4 885 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [0,1,0,0,0,0|2,0,1]=4 886 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [0,1,0,0,0,0|2,0,1]=4 887 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [0,1,0,0,0,0|2,0,1]=4 888 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,1,0,0,0,0|2,0,0]=3 889 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,1,0,0,0,0|3,0,0]=4 890 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,1,0,0,0,0|3,0,0]=4 891 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,1,0,0,0,0|3,0,0]=4 892 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,1,0,0,0,0|3,0,0]=4 893 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,1,0,0,0,0|3,0,0]=4 894 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,1,0,0,0,0|3,0,0]=4 895 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,1,0,0,0,0|3,0,0]=4 896 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [0,1,0,0,0,0|2,0,1]=4 897 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [0,1,0,0,0,0|2,0,1]=4 898 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [0,1,0,0,0,0|2,0,1]=4 899 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [0,1,0,0,0,0|2,0,1]=4 900 B5R0.5 N=C(N)N(N)N MCULE-6225047839 [0,1,0,0,0,0|1,0,0]=2 901 B5R0.5 N=C(N)N(N)N MCULE-8407507713 [0,1,0,0,0,0|1,0,0]=2 902 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [0,1,0,0,0,0|1,0,0]=2 903 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,1,0,0,0,0|2,0,1]=4 904 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,1,0,0,0,0|2,0,0]=3 905 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,1,0,0,0,0|2,0,1]=4 906 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,1,0,0,0,0|2,0,1]=4 907 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [0,1,0,0,0,0|3,0,0]=4 908 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [0,1,0,0,0,0|3,0,0]=4 909 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [0,1,0,0,0,0|3,0,0]=4 910 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [0,1,0,0,0,0|3,0,0]=4 911 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [0,1,0,0,0,0|3,0,0]=4 912 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [0,1,0,0,0,0|3,0,0]=4 913 B5R0.5 NC(=S)C(=S)N MCULE-3109255800 [0,1,0,0,0,0|2,1,0]=4 914 B5R0.5 NC(=S)C(F)F MCULE-3511485569 [0,1,0,0,0,0|3,0,0]=4 915 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,1,0,0,0,0|2,0,1]=4 916 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,1,0,0,0,0|3,0,0]=4 917 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,1,0,0,0,0|3,0,0]=4 918 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,1,0,0,0,0|3,0,0]=4 919 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,1,0,0,0,0|3,0,0]=4 920 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,1,0,0,0,0|3,0,0]=4 921 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,1,0,0,0,0|3,0,0]=4 922 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,1,0,0,0,0|3,0,0]=4 923 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,1,0,0,0,0|3,0,0]=4 924 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,1,0,0,0,0|3,0,0]=4 925 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,1,0,0,0,0|3,0,0]=4 926 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,1,0,0,0,0|3,0,0]=4 927 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,1,0,0,0,0|3,0,0]=4 928 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,1,0,0,0,0|2,0,0]=3 929 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1016641329 [0,1,0,0,0,0|2,0,1]=4 930 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1067760866 [0,1,0,0,0,0|2,0,1]=4 931 B5R1.2 C=C1COC1 MCULE-1822645869 [0,0,0,1,0,0|3,0,0]=4 932 B5R1.2 NC1COC1 MCULE-3457998413 [0,0,0,1,0,0|2,0,1]=4 933 B5R1.2 NC1COC1 MCULE-8439862131 [0,0,0,1,0,0|2,0,1]=4 934 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,0,0,1,0,0|3,0,0]=4 935 B5R1.2 O=C1COC1 MCULE-6847248632 [0,0,0,1,0,0|3,0,0]=4 936 B5R1.4 NC1CC1O MCULE-2677451452 [0,0,0,1,0,0|2,0,1]=4 937 B5R1.4 NC1CC1O MCULE-2909581707 [0,0,0,1,0,0|2,0,1]=4 938 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [0,0,0,1,0,0|2,0,1]=4 939 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [0,0,0,1,0,0|2,0,1]=4 940 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [0,0,0,1,0,0|2,0,1]=4 941 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [0,0,0,1,0,0|2,0,1]=4 942 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [0,0,0,1,0,0|2,0,1]=4 943 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [0,0,0,1,0,0|2,0,1]=4 944 B2R0.1 C=C=C MCULE-2040872097 [2,0,0,0,0,0|2,0,0]=4 945 B2R0.1 C=CBr MCULE-1481946455 [2,0,0,0,0,0|2,0,0]=4 946 B2R0.1 C=CC MCULE-5223715076 [2,0,0,0,0,0|2,0,0]=4 947 B2R0.1 C=CCl MCULE-9678046268 [2,0,0,0,0,0|2,0,0]=4 948 B2R0.1 C=CI MCULE-2939062322 [2,0,0,0,0,0|2,0,0]=4 949 B2R0.1 C=CO MCULE-8167566239 [2,0,0,0,0,0|1,0,0]=3 950 B2R0.1 C=NN MCULE-4427606079 [2,0,0,0,0,0|1,0,1]=4 951 B2R0.1 C=NO MCULE-1312312591 [2,0,0,0,0,0|0,0,1]=3 952 B2R0.1 C=NO MCULE-7599902650 [2,0,0,0,0,0|0,0,1]=3 953 B2R0.1 CC=O MCULE-6002254510 [2,0,0,0,0,0|1,0,1]=4 954 B2R0.1 CC=O MCULE-6800925955 [2,0,0,0,0,0|1,0,1]=4 955 B2R0.1 CCN MCULE-1774065508 [2,0,0,0,0,0|1,0,1]=4 956 B2R0.1 CCN MCULE-5999638632 [2,0,0,0,0,0|1,0,1]=4 957 B2R0.1 CCN MCULE-6233823811 [2,0,0,0,0,0|1,0,1]=4 958 B2R0.1 CCN MCULE-6444557204 [2,0,0,0,0,0|1,0,1]=4 959 B2R0.1 CCO MCULE-8818474596 [2,0,0,0,0,0|1,0,1]=4 960 B2R0.1 CNC MCULE-2809467532 [2,0,0,0,0,0|1,0,1]=4 961 B2R0.1 CNN MCULE-6163742401 [2,0,0,0,0,0|1,0,0]=3 962 B2R0.1 CNN MCULE-7217348217 [2,0,0,0,0,0|1,0,0]=3 963 B2R0.1 CNN MCULE-9086529736 [2,0,0,0,0,0|1,0,0]=3 964 B2R0.1 CNO MCULE-5310203084 [2,0,0,0,0,0|0,0,1]=3 965 B2R0.1 CNO MCULE-7072005453 [2,0,0,0,0,0|0,0,1]=3 966 B2R0.1 CON MCULE-1068458971 [2,0,0,0,0,0|2,0,0]=4 967 B2R0.1 CON MCULE-8687558307 [2,0,0,0,0,0|2,0,0]=4 968 B2R0.1 N#CN MCULE-9026610515 [2,0,0,0,0,0|0,0,2]=4 969 B2R0.1 N#CO MCULE-7459250889 [2,0,0,0,0,0|0,0,2]=4 970 B2R0.1 N=C=O MCULE-6805056266 [2,0,0,0,0,0|0,0,2]=4 971 B2R0.1 N=CN MCULE-3312866825 [2,0,0,0,0,0|0,0,0]=2 972 B2R0.1 N=CN MCULE-4184922761 [2,0,0,0,0,0|0,0,0]=2 973 B2R0.1 N=CN MCULE-8637660949 [2,0,0,0,0,0|0,0,0]=2 974 B2R0.1 NC=O MCULE-1633954643 [2,0,0,0,0,0|0,0,1]=3 975 B2R0.1 NC=O MCULE-4202420620 [2,0,0,0,0,0|0,0,1]=3 976 B2R0.1 NC=S MCULE-9004645073 [2,0,0,0,0,0|0,1,0]=3 977 B2R0.1 NC=[NH2+] MCULE-1491590547 [2,0,0,0,0,0|0,0,1]=3 978 B2R0.1 NCN MCULE-1911584441 [2,0,0,0,0,0|0,0,1]=3 979 B2R0.1 NCN MCULE-5032116024 [2,0,0,0,0,0|0,0,1]=3 980 B2R0.1 O=BO MCULE-1752281859 [2,0,0,0,0,0|2,0,0]=4 981 B2R0.1 O=CO MCULE-7175589186 [2,0,0,0,0,0|1,0,0]=3 982 B2R0.1 O=C[O-] MCULE-2970986504 [2,0,0,0,0,0|1,0,1]=4 983 B2R0.1 O=C[O-] MCULE-3867870864 [2,0,0,0,0,0|1,0,1]=4 984 B2R0.1 O=C[O-] MCULE-4029930501 [2,0,0,0,0,0|1,0,1]=4 985 B2R0.1 O=NO MCULE-6927518919 [2,0,0,0,0,0|1,0,1]=4 986 B2R0.1 O=PO MCULE-5287418544 [2,0,0,0,0,0|1,1,0]=4 987 B2R0.1 OBO MCULE-8455181481 [2,0,0,0,0,0|2,0,0]=4 988 B2R0.1 OPO MCULE-1346196691 [2,0,0,0,0,0|1,1,0]=4 989 B2R0.1 OPO MCULE-5673098193 [2,0,0,0,0,0|1,1,0]=4 990 B2R0.1 [O-]PO MCULE-2811495269 [2,0,0,0,0,0|1,1,0]=4 991 B2R0.1 [O-]PO MCULE-6918966731 [2,0,0,0,0,0|1,1,0]=4 992 B4R0.2 C#CCNO MCULE-7210831528 [1,1,0,0,0,0|1,0,1]=4 993 B4R0.2 C#CCNO MCULE-8082854360 [1,1,0,0,0,0|1,0,1]=4 994 B4R0.2 C/C=C/CO MCULE-2383161163 [1,1,0,0,0,0|2,0,0]=4 995 B4R0.2 C/C=C/OC MCULE-3906920304 [1,1,0,0,0,0|2,0,0]=4 996 B4R0.2 C/C=C\CO MCULE-5924662327 [1,1,0,0,0,0|2,0,0]=4 997 B4R0.2 C=C=CCN MCULE-5700871644 [1,1,0,0,0,0|2,0,0]=4 998 B4R0.2 C=C=CCN MCULE-9120483529 [1,1,0,0,0,0|2,0,0]=4 999 B4R0.2 C=C=CCO MCULE-5424851896 [1,1,0,0,0,0|2,0,0]=4 1000 B4R0.2 C=CCCO MCULE-4582400839 [1,1,0,0,0,0|2,0,0]=4 1001 B4R0.2 C=CCNC MCULE-3335720336 [1,1,0,0,0,0|2,0,0]=4 1002 B4R0.2 C=CCNN MCULE-2550690274 [1,1,0,0,0,0|2,0,0]=4 1003 B4R0.2 C=CCNN MCULE-3554567414 [1,1,0,0,0,0|2,0,0]=4 1004 B4R0.2 C=CCNN MCULE-8741523989 [1,1,0,0,0,0|2,0,0]=4 1005 B4R0.2 C=CCOC MCULE-3321225771 [1,1,0,0,0,0|2,0,0]=4 1006 B4R0.2 C=CCON MCULE-2094787759 [1,1,0,0,0,0|2,0,0]=4 1007 B4R0.2 C=CCON MCULE-6222602533 [1,1,0,0,0,0|2,0,0]=4 1008 B4R0.2 C=CNC=O MCULE-8403928899 [1,1,0,0,0,0|1,0,1]=4 1009 B4R0.2 CC=CCO MCULE-7490725844 [1,1,0,0,0,0|2,0,0]=4 1010 B4R0.2 CC=COC MCULE-6712403535 [1,1,0,0,0,0|2,0,0]=4 1011 B4R0.2 CCC=NO MCULE-9457280654 [1,1,0,0,0,0|1,0,1]=4 1012 B4R0.2 CCNC=O MCULE-9309926274 [1,1,0,0,0,0|2,0,0]=4 1013 B4R0.2 CCNOC MCULE-4797714235 [1,1,0,0,0,0|1,0,1]=4 1014 B4R0.2 CCNOC MCULE-6486167423 [1,1,0,0,0,0|1,0,1]=4 1015 B4R0.2 CCOC=N MCULE-5321655909 [1,1,0,0,0,0|2,0,0]=4 1016 B4R0.2 CCOC=N MCULE-8158357614 [1,1,0,0,0,0|2,0,0]=4 1017 B4R0.2 CNCCN MCULE-2881688448 [1,1,0,0,0,0|1,0,1]=4 1018 B4R0.2 CNCCN MCULE-7199403269 [1,1,0,0,0,0|1,0,1]=4 1019 B4R0.2 CNCCO MCULE-7051900771 [1,1,0,0,0,0|1,0,1]=4 1020 B4R0.2 CNCCO MCULE-7934732981 [1,1,0,0,0,0|1,0,1]=4 1021 B4R0.2 COCC=O MCULE-9427361019 [1,1,0,0,0,0|2,0,0]=4 1022 B4R0.2 COCCN MCULE-5051556646 [1,1,0,0,0,0|1,0,1]=4 1023 B4R0.2 COCCN MCULE-7519068386 [1,1,0,0,0,0|1,0,1]=4 1024 B4R0.2 COCON MCULE-6032854331 [1,1,0,0,0,0|2,0,0]=4 1025 B4R0.2 N#CCNO MCULE-6808474875 [1,1,0,0,0,0|0,0,2]=4 1026 B4R0.2 N/C=C/C=O MCULE-2444951625 [1,1,0,0,0,0|1,0,1]=4 1027 B4R0.2 NC=CC=O MCULE-4070918342 [1,1,0,0,0,0|1,0,1]=4 1028 B4R0.2 NCCCO MCULE-2851278356 [1,1,0,0,0,0|1,0,1]=4 1029 B4R0.2 NCCCO MCULE-9698089092 [1,1,0,0,0,0|1,0,1]=4 1030 B4R0.2 NCCON MCULE-3613980902 [1,1,0,0,0,0|1,0,1]=4 1031 B4R0.2 NCCON MCULE-7030217952 [1,1,0,0,0,0|1,0,1]=4 1032 B4R0.2 NCCON MCULE-8959912781 [1,1,0,0,0,0|1,0,1]=4 1033 B4R0.2 NNCCO MCULE-1290652744 [1,1,0,0,0,0|1,0,1]=4 1034 B4R0.2 NOCCO MCULE-2545004367 [1,1,0,0,0,0|1,0,1]=4 1035 B4R0.2 O=CCCO MCULE-1685289763 [1,1,0,0,0,0|2,0,0]=4 1036 B4R0.2 O=CNC=O MCULE-3098379420 [1,1,0,0,0,0|1,0,1]=4 1037 B4R0.2 OC=CCCl MCULE-4750991393 [1,1,0,0,0,0|2,0,0]=4 1038 B4R0.2 OCC=CBr MCULE-4636104289 [1,1,0,0,0,0|2,0,0]=4 1039 B4R0.2 OCC=CCl MCULE-2110127594 [1,1,0,0,0,0|2,0,0]=4 1040 B4R0.2 ON=CCCl MCULE-5736695742 [1,1,0,0,0,0|1,0,1]=4 1041 B4R0.3 NS(=O)(=O)N MCULE-9292781774 [1,1,0,0,0,0|2,0,0]=4 1042 B4R0.3 NS(=O)(=O)O MCULE-8047713803 [1,1,0,0,0,0|2,0,0]=4 1043 B6R0.1 C/C(=N\O)/C=N/O MCULE-3049929204 [0,2,0,0,0,0|1,0,1]=4 1044 B6R0.1 C/N=C(\C)/NC#N MCULE-2366216281 [0,2,0,0,0,0|2,0,0]=4 1045 B6R0.1 C=CC(=O)NCO MCULE-3627112877 [0,2,0,0,0,0|2,0,0]=4 1046 B6R0.1 C=CC/C(=N/O)/N MCULE-6681864760 [0,2,0,0,0,0|1,0,1]=4 1047 B6R0.1 CC(=CN=O)NO MCULE-1780424821 [0,2,0,0,0,0|1,0,0]=3 1048 B6R0.1 CC(=NO)C=NO MCULE-9711224051 [0,2,0,0,0,0|1,0,1]=4 1049 B6R0.1 CCC(=O)NOC MCULE-4440074406 [0,2,0,0,0,0|2,0,0]=4 1050 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,2,0,0,0,0|1,0,1]=4 1051 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,2,0,0,0,0|1,0,1]=4 1052 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,2,0,0,0,0|2,0,0]=4 1053 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,2,0,0,0,0|2,0,0]=4 1054 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,2,0,0,0,0|2,0,0]=4 1055 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,2,0,0,0,0|2,0,0]=4 1056 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,2,0,0,0,0|2,0,0]=4 1057 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,2,0,0,0,0|2,0,0]=4 1058 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,2,0,0,0,0|1,0,0]=3 1059 B6R0.1 CCNC(=S)NN MCULE-9599210899 [0,2,0,0,0,0|2,0,0]=4 1060 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,2,0,0,0,0|2,0,0]=4 1061 B6R0.1 CN/C(=N\C#N)/[S-] MCULE-1111458468 [0,2,0,0,0,0|2,0,0]=4 1062 B6R0.1 CNC(=N)NC#N MCULE-3777179961 [0,2,0,0,0,0|1,0,0]=3 1063 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,2,0,0,0,0|2,0,0]=4 1064 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,2,0,0,0,0|2,0,0]=4 1065 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,2,0,0,0,0|2,0,0]=4 1066 B6R0.1 CNC(=O)CON MCULE-6451598359 [0,2,0,0,0,0|2,0,0]=4 1067 B6R0.1 CNC(=O)CON MCULE-8743298594 [0,2,0,0,0,0|2,0,0]=4 1068 B6R0.1 CNC(=S)NC#N MCULE-2638134518 [0,2,0,0,0,0|2,0,0]=4 1069 B6R0.1 CNC(=S)NCO MCULE-2829573844 [0,2,0,0,0,0|1,0,0]=3 1070 B6R0.1 CNCC(=O)NC MCULE-4579550577 [0,2,0,0,0,0|2,0,0]=4 1071 B6R0.1 CNCC(=O)NC MCULE-7833395637 [0,2,0,0,0,0|2,0,0]=4 1072 B6R0.1 CNCC(=O)NN MCULE-8639164023 [0,2,0,0,0,0|2,0,0]=4 1073 B6R0.1 COC(=N)CCO MCULE-1904978557 [0,2,0,0,0,0|2,0,0]=4 1074 B6R0.1 COC(=N)CCO MCULE-8146089973 [0,2,0,0,0,0|2,0,0]=4 1075 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [0,2,0,0,0,0|1,0,0]=3 1076 B6R0.1 COCC(=N)OC MCULE-2350779439 [0,2,0,0,0,0|2,0,0]=4 1077 B6R0.1 COCC(=N)OC MCULE-7810421458 [0,2,0,0,0,0|2,0,0]=4 1078 B6R0.1 COCC(=O)NN MCULE-4127487886 [0,2,0,0,0,0|2,0,0]=4 1079 B6R0.1 CONC(=O)OC MCULE-9304532248 [0,2,0,0,0,0|2,0,0]=4 1080 B6R0.1 CS/C(=N/C#N)/N MCULE-7388071786 [0,2,0,0,0,0|2,0,0]=4 1081 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [0,2,0,0,0,0|1,0,1]=4 1082 B6R0.1 N#CC/C(=N\O)/N MCULE-7517473784 [0,2,0,0,0,0|0,0,2]=4 1083 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [0,2,0,0,0,0|1,0,0]=3 1084 B6R0.1 N=C(CCCl)NO MCULE-1713601074 [0,2,0,0,0,0|1,0,0]=3 1085 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [0,2,0,0,0,0|0,0,2]=4 1086 B6R0.1 NNC(=O)CCO MCULE-6184351353 [0,2,0,0,0,0|2,0,0]=4 1087 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [0,2,0,0,0,0|2,0,0]=4 1088 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [0,2,0,0,0,0|2,0,0]=4 1089 B6R0.1 ON=CC(=NO)Cl MCULE-8939091308 [0,2,0,0,0,0|1,0,1]=4 1090 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,2,0,0,0,0|2,0,0]=4 1091 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,2,0,0,0,0|0,0,1]=3 1092 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,2,0,0,0,0|1,0,1]=4 1093 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,2,0,0,0,0|1,0,1]=4 1094 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,2,0,0,0,0|2,0,0]=4 1095 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,2,0,0,0,0|2,0,0]=4 1096 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,2,0,0,0,0|2,0,0]=4 1097 B6R0.2 CC(C)NC(=N)N MCULE-4913172476 [0,2,0,0,0,0|1,0,0]=3 1098 B6R0.2 CC(C)NC(=N)N MCULE-4959976198 [0,2,0,0,0,0|1,0,0]=3 1099 B6R0.2 CC(C)NC(=N)N MCULE-5602505573 [0,2,0,0,0,0|1,0,0]=3 1100 B6R0.2 CC(C)NC(=N)N MCULE-8448870710 [0,2,0,0,0,0|1,0,0]=3 1101 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,2,0,0,0,0|2,0,0]=4 1102 B6R0.2 CC(C)NC(=S)N MCULE-9243939729 [0,2,0,0,0,0|2,0,0]=4 1103 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [0,2,0,0,0,0|2,0,0]=4 1104 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [0,2,0,0,0,0|2,0,0]=4 1105 B6R0.2 CC(C)SC(=N)N MCULE-1974434339 [0,2,0,0,0,0|2,0,0]=4 1106 B6R0.2 CC(C)SC(=N)N MCULE-3570639733 [0,2,0,0,0,0|2,0,0]=4 1107 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,2,0,0,0,0|2,0,0]=4 1108 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,2,0,0,0,0|2,0,0]=4 1109 B6R0.2 CN(C)CC(=S)N MCULE-3863789639 [0,2,0,0,0,0|2,0,0]=4 1110 B6R0.2 CN(C)CC(=S)N MCULE-8756068308 [0,2,0,0,0,0|2,0,0]=4 1111 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,2,0,0,0,0|2,0,0]=4 1112 B6R0.2 N=C(N)CC(=N)N MCULE-4863741442 [0,2,0,0,0,0|2,0,0]=4 1113 B6R0.2 N=C(N)CC(=N)N MCULE-8523596922 [0,2,0,0,0,0|2,0,0]=4 1114 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,2,0,0,0,0|1,0,1]=4 1115 B6R0.2 N=C(N)NC(=N)N MCULE-3279959199 [0,2,0,0,0,0|1,0,0]=3 1116 B6R0.2 N=C(N)NC(=N)N MCULE-5410461738 [0,2,0,0,0,0|1,0,0]=3 1117 B6R0.2 N=C(N)NC(=N)N MCULE-7433325616 [0,2,0,0,0,0|1,0,0]=3 1118 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,2,0,0,0,0|0,0,1]=3 1119 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,2,0,0,0,0|0,0,1]=3 1120 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,2,0,0,0,0|0,0,1]=3 1121 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,2,0,0,0,0|0,0,1]=3 1122 B6R0.2 N=C(N)NC(=S)N MCULE-9372871737 [0,2,0,0,0,0|0,1,0]=3 1123 B6R0.2 N=C(N)NN(=O)=O MCULE-1616315638 [0,2,0,0,0,0|0,0,1]=3 1124 B6R0.2 N=C(N)OC(=[NH2+])N MCULE-1040352274 [0,2,0,0,0,0|2,0,0]=4 1125 B6R0.2 N=C(N)OC(=[NH2+])N MCULE-7233867485 [0,2,0,0,0,0|2,0,0]=4 1126 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,2,0,0,0,0|2,0,0]=4 1127 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,2,0,0,0,0|1,0,1]=4 1128 B6R0.2 NC(=S)NC(=S)N MCULE-5725707827 [0,2,0,0,0,0|1,1,0]=4 1129 B6R0.2 [NH2+]=C(N)NC(=S)N MCULE-8048711850 [0,2,0,0,0,0|0,1,1]=4 1130 B6R0.2 [NH3+]C(=S)NC(=N)N MCULE-7154221603 [0,2,0,0,0,0|0,1,0]=3 1131 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,2,0,0,0,0|2,0,0]=4 1132 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,2,0,0,0,0|2,0,0]=4 1133 B6R0.3 CC(=N)N(C)C#N MCULE-6981931328 [0,2,0,0,0,0|2,0,0]=4 1134 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,2,0,0,0,0|2,0,0]=4 1135 B6R0.3 CC(C)/C(=N/O)/N MCULE-4474697690 [0,2,0,0,0,0|1,0,1]=4 1136 B6R0.3 CC(C)C(=N)NN MCULE-9932640155 [0,2,0,0,0,0|2,0,0]=4 1137 B6R0.3 CC(C)C(=N)NO MCULE-9934498877 [0,2,0,0,0,0|1,0,0]=3 1138 B6R0.3 CC(O)/C(=N/O)/N MCULE-6135321689 [0,2,0,0,0,0|1,0,0]=3 1139 B6R0.3 CC(O)C(=O)NN MCULE-4510079670 [0,2,0,0,0,0|2,0,0]=4 1140 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,2,0,0,0,0|2,0,0]=4 1141 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,2,0,0,0,0|2,0,0]=4 1142 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,2,0,0,0,0|2,0,0]=4 1143 B6R0.3 CCN(C)C(=N)N MCULE-1941465818 [0,2,0,0,0,0|1,0,0]=3 1144 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,2,0,0,0,0|2,0,0]=4 1145 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,2,0,0,0,0|2,0,0]=4 1146 B6R0.3 CN(C)/C(=N/O)/N MCULE-3547286812 [0,2,0,0,0,0|1,0,0]=3 1147 B6R0.3 CN(C)/C(=N\O)/N MCULE-4834817007 [0,2,0,0,0,0|1,0,0]=3 1148 B6R0.3 CN(C)C(=O)CN MCULE-2195526798 [0,2,0,0,0,0|2,0,0]=4 1149 B6R0.3 CN(C)C(=O)CN MCULE-4999236521 [0,2,0,0,0,0|2,0,0]=4 1150 B6R0.3 CN(C)C(=O)CN MCULE-7091962350 [0,2,0,0,0,0|2,0,0]=4 1151 B6R0.3 CN(C)C(=O)CO MCULE-8470749078 [0,2,0,0,0,0|2,0,0]=4 1152 B6R0.3 CN(C)C(=O)NN MCULE-1456206497 [0,2,0,0,0,0|2,0,0]=4 1153 B6R0.3 CN(C)C(=O)NO MCULE-7406409363 [0,2,0,0,0,0|1,0,0]=3 1154 B6R0.3 CN(C)C(=S)NN MCULE-8404262806 [0,2,0,0,0,0|2,0,0]=4 1155 B6R0.3 CN(N)C(=O)NO MCULE-9258932516 [0,2,0,0,0,0|1,0,0]=3 1156 B6R0.3 CN(N=O)C(=O)N MCULE-7683488639 [0,2,0,0,0,0|1,0,1]=4 1157 B6R0.3 CN(O)C(=O)CN MCULE-6904940710 [0,2,0,0,0,0|1,0,0]=3 1158 B6R0.3 CN(O)C(=O)CN MCULE-7352809793 [0,2,0,0,0,0|1,0,0]=3 1159 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,2,0,0,0,0|2,0,0]=4 1160 B6R0.3 CNC(=O)C(C)N MCULE-2283707986 [0,2,0,0,0,0|2,0,0]=4 1161 B6R0.3 CNC(=O)C(C)N MCULE-2976078375 [0,2,0,0,0,0|2,0,0]=4 1162 B6R0.3 CNC(=O)C(C)N MCULE-5544490576 [0,2,0,0,0,0|2,0,0]=4 1163 B6R0.3 CNC(=O)C(C)N MCULE-8815196909 [0,2,0,0,0,0|2,0,0]=4 1164 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,2,0,0,0,0|2,0,0]=4 1165 B6R0.3 CNC(=O)N(C)C MCULE-3799320827 [0,2,0,0,0,0|2,0,0]=4 1166 B6R0.3 CNC(=O)[C@@H](C)N MCULE-4498032248 [0,2,0,0,0,0|2,0,0]=4 1167 B6R0.3 CNC(=O)[C@@H](C)N MCULE-6909082129 [0,2,0,0,0,0|2,0,0]=4 1168 B6R0.3 CNC(=O)[C@@H](C)N MCULE-7642558844 [0,2,0,0,0,0|2,0,0]=4 1169 B6R0.3 CNC(=O)[C@@H](C)N MCULE-8543898121 [0,2,0,0,0,0|2,0,0]=4 1170 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,2,0,0,0,0|2,0,0]=4 1171 B6R0.3 CNC(=O)[C@H](C)N MCULE-5297375743 [0,2,0,0,0,0|2,0,0]=4 1172 B6R0.3 CNC(=O)[C@H](C)N MCULE-6807150828 [0,2,0,0,0,0|2,0,0]=4 1173 B6R0.3 CNC(=O)[C@H](C)N MCULE-8365508630 [0,2,0,0,0,0|2,0,0]=4 1174 B6R0.3 CNC(=O)[C@H](C)N MCULE-9773818316 [0,2,0,0,0,0|2,0,0]=4 1175 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,2,0,0,0,0|2,0,0]=4 1176 B6R0.3 CNC(=S)N(C)C MCULE-5004489808 [0,2,0,0,0,0|2,0,0]=4 1177 B6R0.3 CNC(=S)N(C)N MCULE-5065441902 [0,2,0,0,0,0|2,0,0]=4 1178 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,2,0,0,0,0|2,0,0]=4 1179 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,2,0,0,0,0|2,0,0]=4 1180 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,2,0,0,0,0|2,0,0]=4 1181 B6R0.3 COC(=O)C(=N)N MCULE-3129647301 [0,2,0,0,0,0|1,0,0]=3 1182 B6R0.3 COC(=O)C(=N)N MCULE-4942451868 [0,2,0,0,0,0|1,0,0]=3 1183 B6R0.3 COC(=O)C(=S)N MCULE-8900860523 [0,2,0,0,0,0|2,0,0]=4 1184 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,2,0,0,0,0|2,0,0]=4 1185 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [0,2,0,0,0,0|2,0,0]=4 1186 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,2,0,0,0,0|2,0,0]=4 1187 B6R0.3 CON(C)C(=O)Cl MCULE-7217619495 [0,2,0,0,0,0|2,0,0]=4 1188 B6R0.3 N/C(=N\O)/C(Cl)Cl MCULE-7826685582 [0,2,0,0,0,0|1,0,1]=4 1189 B6R0.3 N/C(=N\O)/C(F)F MCULE-3144106869 [0,2,0,0,0,0|1,0,1]=4 1190 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,2,0,0,0,0|0,0,2]=4 1191 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,2,0,0,0,0|2,0,0]=4 1192 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,2,0,0,0,0|2,0,0]=4 1193 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,2,0,0,0,0|2,0,0]=4 1194 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,2,0,0,0,0|2,0,0]=4 1195 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,2,0,0,0,0|2,0,0]=4 1196 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,2,0,0,0,0|2,0,0]=4 1197 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,2,0,0,0,0|2,0,0]=4 1198 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,2,0,0,0,0|2,0,0]=4 1199 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,2,0,0,0,0|2,0,0]=4 1200 B6R0.3 NC(=S)/C(=N/O)/N MCULE-1544637781 [0,2,0,0,0,0|0,0,2]=4 1201 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,2,0,0,0,0|2,0,0]=4 1202 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,2,0,0,0,0|2,0,0]=4 1203 B6R0.3 NNC(=O)C(=O)N MCULE-5080628360 [0,2,0,0,0,0|2,0,0]=4 1204 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,2,0,0,0,0|2,0,0]=4 1205 B6R0.4 C#CCNC(=O)N MCULE-4499144419 [0,2,0,0,0,0|2,0,0]=4 1206 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [0,2,0,0,0,0|2,0,0]=4 1207 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [0,2,0,0,0,0|2,0,0]=4 1208 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [0,2,0,0,0,0|2,0,0]=4 1209 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [0,2,0,0,0,0|2,0,0]=4 1210 B6R0.4 C=CCNC(=S)N MCULE-4099442157 [0,2,0,0,0,0|2,0,0]=4 1211 B6R0.4 C=CCSC(=N)N MCULE-8236628420 [0,2,0,0,0,0|2,0,0]=4 1212 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,2,0,0,0,0|2,0,0]=4 1213 B6R0.4 CC/C=C/C(=N)N MCULE-7871697378 [0,2,0,0,0,0|2,0,0]=4 1214 B6R0.4 CC/C=C/C(=N)N MCULE-9276291098 [0,2,0,0,0,0|2,0,0]=4 1215 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [0,2,0,0,0,0|2,0,0]=4 1216 B6R0.4 CC=NNC(=S)N MCULE-3128372277 [0,2,0,0,0,0|2,0,0]=4 1217 B6R0.4 CCCCC(=N)N MCULE-3271993509 [0,2,0,0,0,0|2,0,0]=4 1218 B6R0.4 CCCCC(=N)N MCULE-3935017760 [0,2,0,0,0,0|2,0,0]=4 1219 B6R0.4 CCCNC(=N)N MCULE-6381843991 [0,2,0,0,0,0|1,0,0]=3 1220 B6R0.4 CCCNC(=N)N MCULE-8286774592 [0,2,0,0,0,0|1,0,0]=3 1221 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,2,0,0,0,0|2,0,0]=4 1222 B6R0.4 CCCNC(=S)N MCULE-3142756488 [0,2,0,0,0,0|2,0,0]=4 1223 B6R0.4 CCCSC(=N)N MCULE-4777505658 [0,2,0,0,0,0|2,0,0]=4 1224 B6R0.4 CCCSC(=N)N MCULE-8873393921 [0,2,0,0,0,0|2,0,0]=4 1225 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,2,0,0,0,0|2,0,0]=4 1226 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,2,0,0,0,0|2,0,0]=4 1227 B6R0.4 CCOCC(=N)N MCULE-3232806707 [0,2,0,0,0,0|1,0,0]=3 1228 B6R0.4 CCOCC(=N)N MCULE-4996987536 [0,2,0,0,0,0|1,0,0]=3 1229 B6R0.4 CCOCC(=S)N MCULE-7064672670 [0,2,0,0,0,0|2,0,0]=4 1230 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,2,0,0,0,0|2,0,0]=4 1231 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,2,0,0,0,0|2,0,0]=4 1232 B6R0.4 COCCC(=N)N MCULE-8118559492 [0,2,0,0,0,0|1,0,0]=3 1233 B6R0.4 COCCC(=N)N MCULE-9000138086 [0,2,0,0,0,0|1,0,0]=3 1234 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,2,0,0,0,0|2,0,0]=4 1235 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,2,0,0,0,0|1,0,0]=3 1236 B6R0.4 CSCCC(=N)N MCULE-3926353306 [0,2,0,0,0,0|1,1,0]=4 1237 B6R0.4 CSCCC(=N)N MCULE-4451485733 [0,2,0,0,0,0|1,1,0]=4 1238 B6R0.4 N#CCNC(=O)N MCULE-9927791118 [0,2,0,0,0,0|2,0,0]=4 1239 B6R0.4 N/N=C/NC(=O)N MCULE-6272806279 [0,2,0,0,0,0|2,0,0]=4 1240 B6R0.4 N/N=C/NC(=O)N MCULE-7518775080 [0,2,0,0,0,0|2,0,0]=4 1241 B6R0.4 N/N=C/NC(=S)N MCULE-4559471947 [0,2,0,0,0,0|2,0,0]=4 1242 B6R0.4 N=C(N)NCCO MCULE-5114367892 [0,2,0,0,0,0|0,0,0]=2 1243 B6R0.4 N=C(N)NCCO MCULE-6389092248 [0,2,0,0,0,0|0,0,0]=2 1244 B6R0.4 N=C(N)NCCS MCULE-1108122235 [0,2,0,0,0,0|0,1,0]=3 1245 B6R0.4 N=C(N)NCCS MCULE-1842583721 [0,2,0,0,0,0|0,1,0]=3 1246 B6R0.4 N=C(N)NCCS MCULE-4497722042 [0,2,0,0,0,0|0,1,0]=3 1247 B6R0.4 N=C(N)NCCS MCULE-6123443321 [0,2,0,0,0,0|0,1,0]=3 1248 B6R0.4 N=C(N)SCCN MCULE-1482556327 [0,2,0,0,0,0|2,0,0]=4 1249 B6R0.4 N=C(N)SCCO MCULE-5563309692 [0,2,0,0,0,0|1,0,0]=3 1250 B6R0.4 N=C(N)SCCO MCULE-5671847690 [0,2,0,0,0,0|1,0,0]=3 1251 B6R0.4 NC(=NCCO)N MCULE-5043697998 [0,2,0,0,0,0|0,0,2]=4 1252 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,2,0,0,0,0|2,0,0]=4 1253 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,2,0,0,0,0|2,0,0]=4 1254 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,2,0,0,0,0|2,0,0]=4 1255 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,2,0,0,0,0|1,0,0]=3 1256 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,2,0,0,0,0|2,0,0]=4 1257 B6R0.4 NC(=S)CCCO MCULE-8951145487 [0,2,0,0,0,0|2,0,0]=4 1258 B6R0.4 NC(=S)NCCO MCULE-9343742573 [0,2,0,0,0,0|1,0,0]=3 1259 B6R0.4 NC(=S)NNC=O MCULE-5309261345 [0,2,0,0,0,0|1,0,1]=4 1260 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,2,0,0,0,0|2,0,0]=4 1261 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,2,0,0,0,0|2,0,0]=4 1262 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,2,0,0,0,0|2,0,0]=4 1263 B6R0.4 NCCNC(=S)N MCULE-7473616024 [0,2,0,0,0,0|2,0,0]=4 1264 B6R0.4 NCCNC(=S)N MCULE-7947010145 [0,2,0,0,0,0|2,0,0]=4 1265 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,2,0,0,0,0|2,0,0]=4 1266 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [0,2,0,0,0,0|2,0,0]=4 1267 B6R0.9 C/N=C(/CO)\NC MCULE-6025664069 [0,2,0,0,0,0|1,0,0]=3 1268 B6R0.9 C/N=C(\NC)/SC MCULE-5887112308 [0,2,0,0,0,0|2,0,0]=4 1269 B6R0.9 C/N=C(\NC)/SC MCULE-7506115046 [0,2,0,0,0,0|2,0,0]=4 1270 B6R0.9 CN=C(NC)NC MCULE-9588381901 [0,2,0,0,0,0|1,0,0]=3 1271 B6R0.9 CNC(=NN)NC MCULE-4946796362 [0,2,0,0,0,0|1,0,0]=3 1272 B6R0.9 CNC(=NN)NC MCULE-9911808922 [0,2,0,0,0,0|1,0,0]=3 1273 B6R0.9 CS/C(=N\N)/NN MCULE-1127876112 [0,2,0,0,0,0|2,0,0]=4 1274 B6R0.9 CS/C(=N\N)/NN MCULE-9055186024 [0,2,0,0,0,0|2,0,0]=4 1275 B6R0.9 NN=C(NN)NN MCULE-2612648200 [0,2,0,0,0,0|1,0,0]=3 1276 B6R0.9 NN=C(NN)NN MCULE-8111884423 [0,2,0,0,0,0|1,0,0]=3 1277 B6R0.9 OCC(=NO)CO MCULE-1131100831 [0,2,0,0,0,0|2,0,0]=4 1278 B6R0.7 CC(C)(C)C(=N)N MCULE-7680688413 [0,2,0,0,0,0|2,0,0]=4 1279 B6R0.7 CC(C)(C)C(=N)N MCULE-8879048174 [0,2,0,0,0,0|2,0,0]=4 1280 B6R0.7 CC(C)(N)C(=N)N MCULE-2891169783 [0,2,0,0,0,0|2,0,0]=4 1281 B6R0.7 CC(C)(O)C(=N)N MCULE-4499579707 [0,2,0,0,0,0|1,0,0]=3 1282 B6R0.7 CC(C)(O)C(=N)N MCULE-5382519131 [0,2,0,0,0,0|1,0,0]=3 1283 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [0,2,0,0,0,0|2,0,0]=4 1284 B6R0.7 N=C(N)C(Cl)(Cl)Cl MCULE-8191982869 [0,2,0,0,0,0|2,0,0]=4 1285 B6R0.7 N=C(N)C(Cl)(Cl)Cl MCULE-9249264167 [0,2,0,0,0,0|2,0,0]=4 1286 B6R0.7 N=C(N)C(F)(F)F MCULE-2256828685 [0,2,0,0,0,0|2,0,0]=4 1287 B6R0.7 N=C(N)S(=O)(=O)O MCULE-9630791590 [0,2,0,0,0,0|1,0,0]=3 1288 B6R1.2 BrC1=CN=NN1 MCULE-2047133140 [0,1,0,1,0,0|2,0,0]=4 1289 B6R1.2 BrC1=CNC=N1 MCULE-7584078883 [0,1,0,1,0,0|2,0,0]=4 1290 B6R1.2 BrC1=COC=N1 MCULE-3389578396 [0,1,0,1,0,0|2,0,0]=4 1291 B6R1.2 BrC1=COC=N1 MCULE-5006735396 [0,1,0,1,0,0|2,0,0]=4 1292 B6R1.2 BrC1=CON=C1 MCULE-7025802564 [0,1,0,1,0,0|2,0,0]=4 1293 B6R1.2 BrC1=NC=CN1 MCULE-6985395799 [0,1,0,1,0,0|2,0,0]=4 1294 B6R1.2 BrC1=NC=CN1 MCULE-8632789036 [0,1,0,1,0,0|2,0,0]=4 1295 B6R1.2 BrC1=NN=CN1 MCULE-7469880141 [0,1,0,1,0,0|2,0,0]=4 1296 B6R1.2 BrC1=NNN=N1 MCULE-1337477096 [0,1,0,1,0,0|2,0,0]=4 1297 B6R1.2 BrC1=NOC=C1 MCULE-1786338778 [0,1,0,1,0,0|2,0,0]=4 1298 B6R1.2 CC1=CNC=N1 MCULE-9375719449 [0,1,0,1,0,0|2,0,0]=4 1299 B6R1.2 CC1=CNN=N1 MCULE-2819973344 [0,1,0,1,0,0|2,0,0]=4 1300 B6R1.2 CC1=COC=N1 MCULE-3497089982 [0,1,0,1,0,0|2,0,0]=4 1301 B6R1.2 CC1=CON=C1 MCULE-4312100714 [0,1,0,1,0,0|2,0,0]=4 1302 B6R1.2 CC1=NC=CN1 MCULE-4484196639 [0,1,0,1,0,0|2,0,0]=4 1303 B6R1.2 CC1=NCCN1 MCULE-4787238872 [0,1,0,1,0,0|2,0,0]=4 1304 B6R1.2 CC1=NN=CN1 MCULE-4297826922 [0,1,0,1,0,0|2,0,0]=4 1305 B6R1.2 CC1=NN=NN1 MCULE-4684881164 [0,1,0,1,0,0|2,0,0]=4 1306 B6R1.2 CC1=NOC=C1 MCULE-1572732397 [0,1,0,1,0,0|2,0,0]=4 1307 B6R1.2 CC1=NOC=N1 MCULE-5841548711 [0,1,0,1,0,0|1,0,1]=4 1308 B6R1.2 CC1=NON=C1 MCULE-7563934145 [0,1,0,1,0,0|1,0,1]=4 1309 B6R1.2 ClC1=CNC=N1 MCULE-3072422179 [0,1,0,1,0,0|2,0,0]=4 1310 B6R1.2 ClC1=CNC=N1 MCULE-8453567278 [0,1,0,1,0,0|2,0,0]=4 1311 B6R1.2 ClC1=NC=CN1 MCULE-6072122645 [0,1,0,1,0,0|2,0,0]=4 1312 B6R1.2 ClC1=NC=NN1 MCULE-2300203419 [0,1,0,1,0,0|2,0,0]=4 1313 B6R1.2 ClC1=NCCN1 MCULE-2043711677 [0,1,0,1,0,0|2,0,0]=4 1314 B6R1.2 ClC1=NCCN1 MCULE-2296476673 [0,1,0,1,0,0|2,0,0]=4 1315 B6R1.2 ClC1=NNC=N1 MCULE-6627676536 [0,1,0,1,0,0|2,0,0]=4 1316 B6R1.2 FC1=CN=CN1 MCULE-9951835141 [0,1,0,1,0,0|2,0,0]=4 1317 B6R1.2 FC1=NC=CN1 MCULE-1860701993 [0,1,0,1,0,0|2,0,0]=4 1318 B6R1.2 FC1=NC=CN1 MCULE-5026249596 [0,1,0,1,0,0|2,0,0]=4 1319 B6R1.2 FC1=NC=NN1 MCULE-7446864956 [0,1,0,1,0,0|2,0,0]=4 1320 B6R1.2 IC1=CN=NN1 MCULE-7145950428 [0,1,0,1,0,0|2,0,0]=4 1321 B6R1.2 IC1=CNC=N1 MCULE-9964164089 [0,1,0,1,0,0|2,0,0]=4 1322 B6R1.2 IC1=COC=N1 MCULE-1363022741 [0,1,0,1,0,0|2,0,0]=4 1323 B6R1.2 IC1=COC=N1 MCULE-8108166687 [0,1,0,1,0,0|2,0,0]=4 1324 B6R1.2 IC1=CON=C1 MCULE-4450603437 [0,1,0,1,0,0|2,0,0]=4 1325 B6R1.2 IC1=NC=CN1 MCULE-1690537323 [0,1,0,1,0,0|2,0,0]=4 1326 B6R1.2 IC1=NN=NN1 MCULE-5067251857 [0,1,0,1,0,0|2,0,0]=4 1327 B6R1.2 IC1=NNC=N1 MCULE-9276844432 [0,1,0,1,0,0|2,0,0]=4 1328 B6R1.2 N=C1NCCN1 MCULE-4983030911 [0,1,0,1,0,0|1,0,0]=3 1329 B6R1.2 NC1=CC=CN1 MCULE-5653620818 [0,1,0,1,0,0|2,0,0]=4 1330 B6R1.2 NC1=CC=CN1 MCULE-9753432085 [0,1,0,1,0,0|2,0,0]=4 1331 B6R1.2 NC1=CC=NO1 MCULE-3638275568 [0,1,0,1,0,0|2,0,0]=4 1332 B6R1.2 NC1=CC=NS1 MCULE-2159626770 [0,1,0,1,0,0|2,0,0]=4 1333 B6R1.2 NC1=CC=NS1 MCULE-8733584582 [0,1,0,1,0,0|2,0,0]=4 1334 B6R1.2 NC1=CCNN1 MCULE-1539779543 [0,1,0,1,0,0|2,0,0]=4 1335 B6R1.2 NC1=CCNN1 MCULE-3460056890 [0,1,0,1,0,0|2,0,0]=4 1336 B6R1.2 NC1=CCNN1 MCULE-5423983278 [0,1,0,1,0,0|2,0,0]=4 1337 B6R1.2 NC1=CN=CN1 MCULE-3029255616 [0,1,0,1,0,0|1,0,0]=3 1338 B6R1.2 NC1=CN=CN1 MCULE-8873453977 [0,1,0,1,0,0|1,0,0]=3 1339 B6R1.2 NC1=CN=CN1 MCULE-9206811415 [0,1,0,1,0,0|1,0,0]=3 1340 B6R1.2 NC1=CN=CO1 MCULE-4492961257 [0,1,0,1,0,0|2,0,0]=4 1341 B6R1.2 NC1=CN=CS1 MCULE-1239962681 [0,1,0,1,0,0|2,0,0]=4 1342 B6R1.2 NC1=CN=CS1 MCULE-3685342495 [0,1,0,1,0,0|2,0,0]=4 1343 B6R1.2 NC1=CN=CS1 MCULE-7122700564 [0,1,0,1,0,0|2,0,0]=4 1344 B6R1.2 NC1=CN=NS1 MCULE-6268554333 [0,1,0,1,0,0|2,0,0]=4 1345 B6R1.2 NC1=CNC=C1 MCULE-1411730985 [0,1,0,1,0,0|2,0,0]=4 1346 B6R1.2 NC1=CNC=C1 MCULE-7701316156 [0,1,0,1,0,0|2,0,0]=4 1347 B6R1.2 NC1=CNN=C1 MCULE-4119655375 [0,1,0,1,0,0|2,0,0]=4 1348 B6R1.2 NC1=CNN=C1 MCULE-5097217370 [0,1,0,1,0,0|2,0,0]=4 1349 B6R1.2 NC1=CNN=C1 MCULE-6287007700 [0,1,0,1,0,0|2,0,0]=4 1350 B6R1.2 NC1=CNN=N1 MCULE-7644677669 [0,1,0,1,0,0|1,0,0]=3 1351 B6R1.2 NC1=COC=C1 MCULE-1858324031 [0,1,0,1,0,0|2,0,0]=4 1352 B6R1.2 NC1=COC=C1 MCULE-3985426542 [0,1,0,1,0,0|2,0,0]=4 1353 B6R1.2 NC1=COC=N1 MCULE-2511021171 [0,1,0,1,0,0|1,0,0]=3 1354 B6R1.2 NC1=COC=N1 MCULE-3099880728 [0,1,0,1,0,0|1,0,0]=3 1355 B6R1.2 NC1=CON=C1 MCULE-2373604754 [0,1,0,1,0,0|1,0,0]=3 1356 B6R1.2 NC1=CON=C1 MCULE-7932471087 [0,1,0,1,0,0|1,0,0]=3 1357 B6R1.2 NC1=CSC=N1 MCULE-3316985941 [0,1,0,1,0,0|1,1,0]=4 1358 B6R1.2 NC1=CSC=N1 MCULE-4767298680 [0,1,0,1,0,0|1,1,0]=4 1359 B6R1.2 NC1=CSN=C1 MCULE-8555779572 [0,1,0,1,0,0|1,1,0]=4 1360 B6R1.2 NC1=CSN=C1 MCULE-9110365089 [0,1,0,1,0,0|1,1,0]=4 1361 B6R1.2 NC1=CSN=C1 MCULE-9229676240 [0,1,0,1,0,0|1,1,0]=4 1362 B6R1.2 NC1=CSN=N1 MCULE-1480804799 [0,1,0,1,0,0|1,1,0]=4 1363 B6R1.2 NC1=CSN=N1 MCULE-7870927492 [0,1,0,1,0,0|1,1,0]=4 1364 B6R1.2 NC1=NC=CN1 MCULE-4937045321 [0,1,0,1,0,0|1,0,0]=3 1365 B6R1.2 NC1=NC=CN1 MCULE-6371804569 [0,1,0,1,0,0|1,0,0]=3 1366 B6R1.2 NC1=NC=CN1 MCULE-7485953374 [0,1,0,1,0,0|1,0,0]=3 1367 B6R1.2 NC1=NC=CN1 MCULE-9607974759 [0,1,0,1,0,0|1,0,0]=3 1368 B6R1.2 NC1=NC=CO1 MCULE-7316590930 [0,1,0,1,0,0|2,0,0]=4 1369 B6R1.2 NC1=NC=CS1 MCULE-1506905792 [0,1,0,1,0,0|2,0,0]=4 1370 B6R1.2 NC1=NC=CS1 MCULE-8550608343 [0,1,0,1,0,0|2,0,0]=4 1371 B6R1.2 NC1=NC=NN1 MCULE-6203622976 [0,1,0,1,0,0|1,0,0]=3 1372 B6R1.2 NC1=NC=NS1 MCULE-3141910287 [0,1,0,1,0,0|1,0,1]=4 1373 B6R1.2 NC1=NC=NS1 MCULE-3929641571 [0,1,0,1,0,0|1,0,1]=4 1374 B6R1.2 NC1=NC=NS1 MCULE-8660230269 [0,1,0,1,0,0|1,0,1]=4 1375 B6R1.2 NC1=NCCC1 MCULE-6089369366 [0,1,0,1,0,0|2,0,0]=4 1376 B6R1.2 NC1=NCCC1 MCULE-8979618464 [0,1,0,1,0,0|2,0,0]=4 1377 B6R1.2 NC1=NCCN1 MCULE-1788173657 [0,1,0,1,0,0|1,0,0]=3 1378 B6R1.2 NC1=NCCN1 MCULE-9804694628 [0,1,0,1,0,0|1,0,0]=3 1379 B6R1.2 NC1=NCCO1 MCULE-1257431295 [0,1,0,1,0,0|2,0,0]=4 1380 B6R1.2 NC1=NCCO1 MCULE-9912511107 [0,1,0,1,0,0|2,0,0]=4 1381 B6R1.2 NC1=NCCS1 MCULE-3397143190 [0,1,0,1,0,0|2,0,0]=4 1382 B6R1.2 NC1=NCCS1 MCULE-9466856269 [0,1,0,1,0,0|2,0,0]=4 1383 B6R1.2 NC1=NCCS1 MCULE-9984008966 [0,1,0,1,0,0|2,0,0]=4 1384 B6R1.2 NC1=NN=CO1 MCULE-9653146681 [0,1,0,1,0,0|2,0,0]=4 1385 B6R1.2 NC1=NN=CS1 MCULE-5171141908 [0,1,0,1,0,0|2,0,0]=4 1386 B6R1.2 NC1=NN=NN1 MCULE-4162497867 [0,1,0,1,0,0|1,0,0]=3 1387 B6R1.2 NC1=NN=NS1 MCULE-2301798521 [0,1,0,1,0,0|1,0,1]=4 1388 B6R1.2 NC1=NNC=C1 MCULE-1507683823 [0,1,0,1,0,0|2,0,0]=4 1389 B6R1.2 NC1=NNC=C1 MCULE-5117516307 [0,1,0,1,0,0|2,0,0]=4 1390 B6R1.2 NC1=NNC=C1 MCULE-7091290697 [0,1,0,1,0,0|2,0,0]=4 1391 B6R1.2 NC1=NNCC1 MCULE-4665265929 [0,1,0,1,0,0|2,0,0]=4 1392 B6R1.2 NC1=NNN=C1 MCULE-4268197612 [0,1,0,1,0,0|1,0,1]=4 1393 B6R1.2 NC1=NOC=C1 MCULE-5363092492 [0,1,0,1,0,0|1,0,0]=3 1394 B6R1.2 NC1=NOC=N1 MCULE-1140308393 [0,1,0,1,0,0|0,0,1]=3 1395 B6R1.2 NC1=NOCC1 MCULE-4971355735 [0,1,0,1,0,0|1,0,0]=3 1396 B6R1.2 NC1=NON=C1 MCULE-1928445544 [0,1,0,1,0,0|0,0,1]=3 1397 B6R1.2 NC1=NSC=C1 MCULE-2731864153 [0,1,0,1,0,0|1,1,0]=4 1398 B6R1.2 NC1=NSC=C1 MCULE-4778941442 [0,1,0,1,0,0|1,1,0]=4 1399 B6R1.2 NC1=NSC=N1 MCULE-1210037167 [0,1,0,1,0,0|0,1,1]=4 1400 B6R1.2 NC1=NSN=C1 MCULE-5043071924 [0,1,0,1,0,0|0,1,1]=4 1401 B6R1.2 NC1=NSN=C1 MCULE-5186512230 [0,1,0,1,0,0|0,1,1]=4 1402 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,1,0,1,0,0|2,0,0]=4 1403 B6R1.2 O=C1CNCN1 MCULE-2645891847 [0,1,0,1,0,0|2,0,0]=4 1404 B6R1.2 O=C1CNCN1 MCULE-9269137129 [0,1,0,1,0,0|2,0,0]=4 1405 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [0,1,0,1,0,0|2,0,0]=4 1406 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [0,1,0,1,0,0|2,0,0]=4 1407 B6R1.2 O=C1NCCN1 MCULE-9806791551 [0,1,0,1,0,0|2,0,0]=4 1408 B6R1.2 O=C1NN=NN1 MCULE-2843823671 [0,1,0,1,0,0|2,0,0]=4 1409 B6R1.2 OC1=CNC=N1 MCULE-1911765165 [0,1,0,1,0,0|2,0,0]=4 1410 B6R1.2 OC1=CON=C1 MCULE-9622003135 [0,1,0,1,0,0|2,0,0]=4 1411 B6R1.2 OC1=NOC=C1 MCULE-6441945551 [0,1,0,1,0,0|2,0,0]=4 1412 B6R1.2 S=C1NCCN1 MCULE-3300710815 [0,1,0,1,0,0|2,0,0]=4 1413 B6R1.2 SC1=CN=NN1 MCULE-3655107232 [0,1,0,1,0,0|2,0,0]=4 1414 B6R1.2 SC1=NC=CN1 MCULE-1550904171 [0,1,0,1,0,0|2,0,0]=4 1415 B6R1.2 SC1=NN=CN1 MCULE-5875245990 [0,1,0,1,0,0|2,0,0]=4 1416 B6R1.2 [Na]C1=NNC=N1 MCULE-3608100113 [0,1,0,1,0,0|2,0,0]=4 1417 B6R1.2 [S-]C1=CN=NN1 MCULE-9079805829 [0,1,0,1,0,0|2,0,0]=4 1418 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [0,1,0,1,0,0|2,0,0]=4 1419 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [0,1,0,1,0,0|2,0,0]=4 1420 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,1,0,1,0,0|2,0,0]=4 1421 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,1,0,1,0,0|2,0,0]=4 1422 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,1,0,1,0,0|2,0,0]=4 1423 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,1,0,1,0,0|2,0,0]=4 1424 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,1,0,1,0,0|2,0,0]=4 1425 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,1,0,1,0,0|2,0,0]=4 1426 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,1,0,1,0,0|2,0,0]=4 1427 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,1,0,1,0,0|2,0,0]=4 1428 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,1,0,1,0,0|2,0,0]=4 1429 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,1,0,1,0,0|2,0,0]=4 1430 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,1,0,1,0,0|2,0,0]=4 1431 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,1,0,1,0,0|2,0,0]=4