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|3,0,0]=3 3 B4R0.1 C#CC(=O)N MCULE-1832868146 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 C#CC(=O)O MCULE-8764256624 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 C#CC(=O)[O-] MCULE-3356498679 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 C#CC(=O)[O-] MCULE-3490087346 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=3 59 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [0,0,0,0,0,0|3,0,0]=3 60 B4R0.1 C=CC(=O)N MCULE-4309430654 [0,0,0,0,0,0|2,0,0]=2 61 B4R0.1 C=CC(=O)O MCULE-9352227082 [0,0,0,0,0,0|3,0,0]=3 62 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [0,0,0,0,0,0|3,0,0]=3 63 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [0,0,0,0,0,0|3,0,0]=3 64 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [0,0,0,0,0,0|3,0,0]=3 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=CN(=O)=O MCULE-1988475489 [0,0,0,0,0,0|4,0,0]=4 68 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [0,0,0,0,0,0|3,0,1]=4 69 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [0,0,0,0,0,0|3,0,1]=4 70 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [0,0,0,0,0,0|3,0,1]=4 71 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [0,0,0,0,0,0|3,0,1]=4 72 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [0,0,0,0,0,0|3,0,1]=4 73 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [0,0,0,0,0,0|3,0,1]=4 74 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [0,0,0,0,0,0|3,0,1]=4 75 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [0,0,0,0,0,0|3,0,1]=4 76 B4R0.1 CC(=CBr)C MCULE-9508381610 [0,0,0,0,0,0|4,0,0]=4 77 B4R0.1 CC(=CCl)C MCULE-4321554138 [0,0,0,0,0,0|4,0,0]=4 78 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [0,0,0,0,0,0|4,0,0]=4 79 B4R0.1 CC(=N)NN MCULE-2302306720 [0,0,0,0,0,0|2,0,1]=3 80 B4R0.1 CC(=N)NN MCULE-5362481009 [0,0,0,0,0,0|2,0,1]=3 81 B4R0.1 CC(=NN)C MCULE-8828852790 [0,0,0,0,0,0|3,0,1]=4 82 B4R0.1 CC(=NO)C MCULE-3243100216 [0,0,0,0,0,0|2,0,1]=3 83 B4R0.1 CC(=O)C#N MCULE-6317771757 [0,0,0,0,0,0|3,0,0]=3 84 B4R0.1 CC(=O)C=O MCULE-2718961814 [0,0,0,0,0,0|2,0,1]=3 85 B4R0.1 CC(=O)CBr MCULE-7812920675 [0,0,0,0,0,0|3,0,0]=3 86 B4R0.1 CC(=O)CCl MCULE-2501365933 [0,0,0,0,0,0|3,0,0]=3 87 B4R0.1 CC(=O)CF MCULE-7417279999 [0,0,0,0,0,0|3,0,0]=3 88 B4R0.1 CC(=O)CN MCULE-2715277783 [0,0,0,0,0,0|3,0,0]=3 89 B4R0.1 CC(=O)CN MCULE-6004541862 [0,0,0,0,0,0|3,0,0]=3 90 B4R0.1 CC(=O)CO MCULE-2989526028 [0,0,0,0,0,0|2,0,0]=2 91 B4R0.1 CC(=O)CS MCULE-9736174016 [0,0,0,0,0,0|2,1,0]=3 92 B4R0.1 CC(=O)NBr MCULE-6502070876 [0,0,0,0,0,0|2,0,0]=2 93 B4R0.1 CC(=O)NN MCULE-9183467120 [0,0,0,0,0,0|2,0,0]=2 94 B4R0.1 CC(=O)NO MCULE-2682231025 [0,0,0,0,0,0|1,0,0]=1 95 B4R0.1 CC(=O)OO MCULE-6028338742 [0,0,0,0,0,0|2,0,0]=2 96 B4R0.1 CC(Br)CO MCULE-8344365003 [0,0,0,0,0,0|3,0,1]=4 97 B4R0.1 CC(C)CO MCULE-6294327194 [0,0,0,0,0,0|3,0,1]=4 98 B4R0.1 CC(C)NN MCULE-4673953224 [0,0,0,0,0,0|3,0,1]=4 99 B4R0.1 CC(C)NN MCULE-7901160798 [0,0,0,0,0,0|3,0,1]=4 100 B4R0.1 CC(C)NN MCULE-9473118288 [0,0,0,0,0,0|3,0,1]=4 101 B4R0.1 CC(C)NO MCULE-6516566403 [0,0,0,0,0,0|2,0,1]=3 102 B4R0.1 CC(C)NO MCULE-8545146035 [0,0,0,0,0,0|2,0,1]=3 103 B4R0.1 CC(Cl)CO MCULE-3857255988 [0,0,0,0,0,0|3,0,1]=4 104 B4R0.1 CC(Cl)CO MCULE-7538548427 [0,0,0,0,0,0|3,0,1]=4 105 B4R0.1 CC(F)CO MCULE-6006763378 [0,0,0,0,0,0|3,0,1]=4 106 B4R0.1 CC(N)C#N MCULE-4008524363 [0,0,0,0,0,0|3,0,1]=4 107 B4R0.1 CC(N)C#N MCULE-8654767875 [0,0,0,0,0,0|3,0,1]=4 108 B4R0.1 CC(N)C=O MCULE-3421118418 [0,0,0,0,0,0|2,0,2]=4 109 B4R0.1 CC(N)CBr MCULE-1783493149 [0,0,0,0,0,0|3,0,1]=4 110 B4R0.1 CC(N)CBr MCULE-2775398297 [0,0,0,0,0,0|3,0,1]=4 111 B4R0.1 CC(N)CCl MCULE-8652434595 [0,0,0,0,0,0|3,0,1]=4 112 B4R0.1 CC(N)CCl MCULE-9580466630 [0,0,0,0,0,0|3,0,1]=4 113 B4R0.1 CC(N)CF MCULE-1603143200 [0,0,0,0,0,0|3,0,1]=4 114 B4R0.1 CC(N)CF MCULE-3787216870 [0,0,0,0,0,0|3,0,1]=4 115 B4R0.1 CC(N)CF MCULE-4138869746 [0,0,0,0,0,0|3,0,1]=4 116 B4R0.1 CC(N)CF MCULE-8611760275 [0,0,0,0,0,0|3,0,1]=4 117 B4R0.1 CC(N)CN MCULE-2119036110 [0,0,0,0,0,0|3,0,1]=4 118 B4R0.1 CC(N)CN MCULE-6286216576 [0,0,0,0,0,0|3,0,1]=4 119 B4R0.1 CC(N)CN MCULE-9919433465 [0,0,0,0,0,0|3,0,1]=4 120 B4R0.1 CC(N)CO MCULE-1361379423 [0,0,0,0,0,0|2,0,1]=3 121 B4R0.1 CC(N)CO MCULE-2098440985 [0,0,0,0,0,0|2,0,1]=3 122 B4R0.1 CC(N)CS MCULE-1396853557 [0,0,0,0,0,0|2,1,1]=4 123 B4R0.1 CC(N)CS MCULE-4094732666 [0,0,0,0,0,0|2,1,1]=4 124 B4R0.1 CC(O)CO MCULE-5574440784 [0,0,0,0,0,0|2,0,2]=4 125 B4R0.1 CC(O)CO MCULE-8743139013 [0,0,0,0,0,0|2,0,2]=4 126 B4R0.1 CC(S)CO MCULE-5090908062 [0,0,0,0,0,0|2,1,1]=4 127 B4R0.1 CC=C(C)Br MCULE-1371905211 [0,0,0,0,0,0|4,0,0]=4 128 B4R0.1 CC=C(C)C MCULE-4230157245 [0,0,0,0,0,0|4,0,0]=4 129 B4R0.1 CC=C(C)Cl MCULE-3844314543 [0,0,0,0,0,0|4,0,0]=4 130 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [0,0,0,0,0,0|4,0,0]=4 131 B4R0.1 CC=C(F)F MCULE-5544510852 [0,0,0,0,0,0|4,0,0]=4 132 B4R0.1 CCC(=N)N MCULE-1856575742 [0,0,0,0,0,0|3,0,0]=3 133 B4R0.1 CCC(=N)N MCULE-2534386807 [0,0,0,0,0,0|3,0,0]=3 134 B4R0.1 CCC(=O)Br MCULE-7870678619 [0,0,0,0,0,0|3,0,0]=3 135 B4R0.1 CCC(=O)C MCULE-8276670748 [0,0,0,0,0,0|3,0,0]=3 136 B4R0.1 CCC(=O)Cl MCULE-3081874391 [0,0,0,0,0,0|3,0,0]=3 137 B4R0.1 CCC(=O)F MCULE-8783887670 [0,0,0,0,0,0|3,0,0]=3 138 B4R0.1 CCC(=O)N MCULE-3730796130 [0,0,0,0,0,0|2,0,0]=2 139 B4R0.1 CCC(=O)O MCULE-2199051150 [0,0,0,0,0,0|3,0,0]=3 140 B4R0.1 CCC(=O)O MCULE-9800054040 [0,0,0,0,0,0|3,0,0]=3 141 B4R0.1 CCC(=O)S MCULE-3392119766 [0,0,0,0,0,0|3,0,0]=3 142 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [0,0,0,0,0,0|3,0,0]=3 143 B4R0.1 CCC(=S)N MCULE-3921479699 [0,0,0,0,0,0|2,1,0]=3 144 B4R0.1 CCC(C)N MCULE-5041676035 [0,0,0,0,0,0|3,0,1]=4 145 B4R0.1 CCC(C)N MCULE-5835091553 [0,0,0,0,0,0|3,0,1]=4 146 B4R0.1 CCC(C)N MCULE-6631606230 [0,0,0,0,0,0|3,0,1]=4 147 B4R0.1 CCC(C)N MCULE-8165681721 [0,0,0,0,0,0|3,0,1]=4 148 B4R0.1 CCN(=O)=O MCULE-6603591614 [0,0,0,0,0,0|4,0,0]=4 149 B4R0.1 CCN(C)N MCULE-2279492356 [0,0,0,0,0,0|4,0,0]=4 150 B4R0.1 CCN(C)N MCULE-5660338703 [0,0,0,0,0,0|4,0,0]=4 151 B4R0.1 CCN(C)N MCULE-9839987578 [0,0,0,0,0,0|4,0,0]=4 152 B4R0.1 CCS(=O)C MCULE-4400935745 [0,0,0,0,0,0|4,0,0]=4 153 B4R0.1 CCS(=O)O MCULE-9872932319 [0,0,0,0,0,0|4,0,0]=4 154 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [0,0,0,0,0,0|4,0,0]=4 155 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [0,0,0,0,0,0|3,0,1]=4 156 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [0,0,0,0,0,0|3,0,1]=4 157 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [0,0,0,0,0,0|3,0,1]=4 158 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [0,0,0,0,0,0|3,0,1]=4 159 B4R0.1 CC[C@H](C)N MCULE-2450201533 [0,0,0,0,0,0|3,0,1]=4 160 B4R0.1 CC[C@H](C)N MCULE-2998961427 [0,0,0,0,0,0|3,0,1]=4 161 B4R0.1 CC[C@H](C)N MCULE-6692190471 [0,0,0,0,0,0|3,0,1]=4 162 B4R0.1 CC[C@H](C)N MCULE-6904795465 [0,0,0,0,0,0|3,0,1]=4 163 B4R0.1 CN(N)C=O MCULE-6353057165 [0,0,0,0,0,0|3,0,1]=4 164 B4R0.1 CNC(=N)N MCULE-1074994749 [0,0,0,0,0,0|2,0,0]=2 165 B4R0.1 CNC(=N)N MCULE-6149731862 [0,0,0,0,0,0|2,0,0]=2 166 B4R0.1 CNC(=N)N MCULE-7667364021 [0,0,0,0,0,0|2,0,0]=2 167 B4R0.1 CNC(=N)N MCULE-7854448694 [0,0,0,0,0,0|2,0,0]=2 168 B4R0.1 CNC(=O)C MCULE-2612997941 [0,0,0,0,0,0|2,0,0]=2 169 B4R0.1 CNC(=O)Cl MCULE-7743744606 [0,0,0,0,0,0|2,0,0]=2 170 B4R0.1 CNC(=O)N MCULE-6422331704 [0,0,0,0,0,0|1,0,0]=1 171 B4R0.1 CNC(=S)C MCULE-8699171591 [0,0,0,0,0,0|2,1,0]=3 172 B4R0.1 CNC(=S)N MCULE-7103250725 [0,0,0,0,0,0|1,1,0]=2 173 B4R0.1 CNC(=S)[S-] MCULE-4072880135 [0,0,0,0,0,0|2,1,0]=3 174 B4R0.1 CNC(=S)[S-] MCULE-4924829934 [0,0,0,0,0,0|2,1,0]=3 175 B4R0.1 CNC(C)C MCULE-3849513543 [0,0,0,0,0,0|3,0,1]=4 176 B4R0.1 CNN(C)C MCULE-7120869955 [0,0,0,0,0,0|4,0,0]=4 177 B4R0.1 CNN(C)C MCULE-8318926099 [0,0,0,0,0,0|4,0,0]=4 178 B4R0.1 COC(=N)C MCULE-2752794913 [0,0,0,0,0,0|3,0,1]=4 179 B4R0.1 COC(=N)C MCULE-2904991083 [0,0,0,0,0,0|3,0,1]=4 180 B4R0.1 COC(=N)N MCULE-1611076737 [0,0,0,0,0,0|3,0,0]=3 181 B4R0.1 COC(=N)N MCULE-4923904579 [0,0,0,0,0,0|3,0,0]=3 182 B4R0.1 COC(=N)N MCULE-6696789855 [0,0,0,0,0,0|3,0,0]=3 183 B4R0.1 COC(=N)N MCULE-9171600210 [0,0,0,0,0,0|3,0,0]=3 184 B4R0.1 COC(=O)C MCULE-7368066093 [0,0,0,0,0,0|3,0,0]=3 185 B4R0.1 COC(=O)Cl MCULE-8022274771 [0,0,0,0,0,0|3,0,0]=3 186 B4R0.1 COC(=O)N MCULE-4070607369 [0,0,0,0,0,0|2,0,0]=2 187 B4R0.1 COC(=S)N MCULE-9414558443 [0,0,0,0,0,0|2,1,0]=3 188 B4R0.1 COC(=S)[S-] MCULE-4829872223 [0,0,0,0,0,0|3,1,0]=4 189 B4R0.1 COC(=S)[S-] MCULE-6509496630 [0,0,0,0,0,0|3,1,0]=4 190 B4R0.1 CSC(=N)N MCULE-1471368384 [0,0,0,0,0,0|3,0,0]=3 191 B4R0.1 CSC(=N)N MCULE-3394284504 [0,0,0,0,0,0|3,0,0]=3 192 B4R0.1 CSC(=N)N MCULE-3752198299 [0,0,0,0,0,0|3,0,0]=3 193 B4R0.1 CSC(=N)N MCULE-5672446896 [0,0,0,0,0,0|3,0,0]=3 194 B4R0.1 CSC(=N)N MCULE-8409992127 [0,0,0,0,0,0|3,0,0]=3 195 B4R0.1 CSC(=O)C MCULE-7061634598 [0,0,0,0,0,0|3,0,0]=3 196 B4R0.1 CSC(=S)C MCULE-4836153374 [0,0,0,0,0,0|3,1,0]=4 197 B4R0.1 CSS(=O)C MCULE-6515592458 [0,0,0,0,0,0|4,0,0]=4 198 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [0,0,0,0,0,0|3,0,1]=4 199 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [0,0,0,0,0,0|3,0,1]=4 200 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [0,0,0,0,0,0|3,0,1]=4 201 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [0,0,0,0,0,0|3,0,1]=4 202 B4R0.1 C[C@@H](N)C#N MCULE-4366493733 [0,0,0,0,0,0|3,0,1]=4 203 B4R0.1 C[C@@H](N)C#N MCULE-4475438132 [0,0,0,0,0,0|3,0,1]=4 204 B4R0.1 C[C@@H](N)C#N MCULE-8152568021 [0,0,0,0,0,0|3,0,1]=4 205 B4R0.1 C[C@@H](N)C#N MCULE-9327848803 [0,0,0,0,0,0|3,0,1]=4 206 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [0,0,0,0,0,0|3,0,1]=4 207 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [0,0,0,0,0,0|3,0,1]=4 208 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [0,0,0,0,0,0|3,0,1]=4 209 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [0,0,0,0,0,0|3,0,1]=4 210 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [0,0,0,0,0,0|3,0,1]=4 211 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [0,0,0,0,0,0|3,0,1]=4 212 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [0,0,0,0,0,0|3,0,1]=4 213 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [0,0,0,0,0,0|3,0,1]=4 214 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [0,0,0,0,0,0|2,0,1]=3 215 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [0,0,0,0,0,0|2,0,1]=3 216 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [0,0,0,0,0,0|2,0,2]=4 217 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [0,0,0,0,0,0|2,0,2]=4 218 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [0,0,0,0,0,0|3,0,1]=4 219 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [0,0,0,0,0,0|3,0,1]=4 220 B4R0.1 C[C@H](F)CO MCULE-1024261541 [0,0,0,0,0,0|3,0,1]=4 221 B4R0.1 C[C@H](F)CO MCULE-7028098137 [0,0,0,0,0,0|3,0,1]=4 222 B4R0.1 C[C@H](N)C#N MCULE-2449963253 [0,0,0,0,0,0|3,0,1]=4 223 B4R0.1 C[C@H](N)C#N MCULE-3624286995 [0,0,0,0,0,0|3,0,1]=4 224 B4R0.1 C[C@H](N)CF MCULE-1053227516 [0,0,0,0,0,0|3,0,1]=4 225 B4R0.1 C[C@H](N)CF MCULE-4024916343 [0,0,0,0,0,0|3,0,1]=4 226 B4R0.1 C[C@H](N)CF MCULE-6312285034 [0,0,0,0,0,0|3,0,1]=4 227 B4R0.1 C[C@H](N)CF MCULE-7630744199 [0,0,0,0,0,0|3,0,1]=4 228 B4R0.1 C[C@H](N)CN MCULE-2048837128 [0,0,0,0,0,0|3,0,1]=4 229 B4R0.1 C[C@H](N)CN MCULE-4105152552 [0,0,0,0,0,0|3,0,1]=4 230 B4R0.1 C[C@H](N)CN MCULE-7106390536 [0,0,0,0,0,0|3,0,1]=4 231 B4R0.1 C[C@H](N)CN MCULE-9863306005 [0,0,0,0,0,0|3,0,1]=4 232 B4R0.1 C[C@H](N)CO MCULE-2471107013 [0,0,0,0,0,0|2,0,1]=3 233 B4R0.1 C[C@H](N)CO MCULE-5424195678 [0,0,0,0,0,0|2,0,1]=3 234 B4R0.1 C[C@H](O)CO MCULE-6582852191 [0,0,0,0,0,0|2,0,2]=4 235 B4R0.1 C[C@H](O)CO MCULE-8074793296 [0,0,0,0,0,0|2,0,2]=4 236 B4R0.1 ClC=C(Cl)Cl MCULE-3945953656 [0,0,0,0,0,0|4,0,0]=4 237 B4R0.1 FC(=CBr)F MCULE-5114290777 [0,0,0,0,0,0|4,0,0]=4 238 B4R0.1 FC=C(Br)Br MCULE-3150710627 [0,0,0,0,0,0|4,0,0]=4 239 B4R0.1 FC=C(F)F MCULE-2449532887 [0,0,0,0,0,0|4,0,0]=4 240 B4R0.1 N=C(N)CCl MCULE-1495198330 [0,0,0,0,0,0|3,0,0]=3 241 B4R0.1 N=C(N)CCl MCULE-2087468158 [0,0,0,0,0,0|3,0,0]=3 242 B4R0.1 N=C(N)CF MCULE-4489534021 [0,0,0,0,0,0|3,0,0]=3 243 B4R0.1 N=C(N)CF MCULE-8858704396 [0,0,0,0,0,0|3,0,0]=3 244 B4R0.1 N=C(N)CN MCULE-2761790792 [0,0,0,0,0,0|3,0,0]=3 245 B4R0.1 N=C(N)CN MCULE-5131841850 [0,0,0,0,0,0|3,0,0]=3 246 B4R0.1 N=C(N)CN MCULE-6618111844 [0,0,0,0,0,0|3,0,0]=3 247 B4R0.1 N=C(N)CO MCULE-5146395919 [0,0,0,0,0,0|2,0,0]=2 248 B4R0.1 N=C(N)CO MCULE-8814507460 [0,0,0,0,0,0|2,0,0]=2 249 B4R0.1 N=C(N)NN MCULE-1109353559 [0,0,0,0,0,0|2,0,0]=2 250 B4R0.1 N=C(N)NN MCULE-3637328913 [0,0,0,0,0,0|2,0,0]=2 251 B4R0.1 N=C(N)NN MCULE-4551185793 [0,0,0,0,0,0|2,0,0]=2 252 B4R0.1 N=C(N)NN MCULE-8251830457 [0,0,0,0,0,0|2,0,0]=2 253 B4R0.1 N=C(N)NO MCULE-2554837832 [0,0,0,0,0,0|1,0,0]=1 254 B4R0.1 N=C(N)NO MCULE-5458374815 [0,0,0,0,0,0|1,0,0]=1 255 B4R0.1 N=C(N)NO MCULE-5913043834 [0,0,0,0,0,0|1,0,0]=1 256 B4R0.1 NC(=NO)N MCULE-7650923271 [0,0,0,0,0,0|1,0,1]=2 257 B4R0.1 NC(=O)CBr MCULE-9306090536 [0,0,0,0,0,0|2,0,0]=2 258 B4R0.1 NC(=O)CCl MCULE-3241549842 [0,0,0,0,0,0|2,0,0]=2 259 B4R0.1 NC(=O)CF MCULE-3344212657 [0,0,0,0,0,0|2,0,0]=2 260 B4R0.1 NC(=O)CI MCULE-4217973413 [0,0,0,0,0,0|2,0,0]=2 261 B4R0.1 NC(=O)CO MCULE-2739878376 [0,0,0,0,0,0|1,0,0]=1 262 B4R0.1 NC(=O)CS MCULE-2639305532 [0,0,0,0,0,0|1,1,0]=2 263 B4R0.1 NC(=O)NO MCULE-9465284053 [0,0,0,0,0,0|0,0,0]=0 264 B4R0.1 NC(=S)CF MCULE-7873791134 [0,0,0,0,0,0|2,1,0]=3 265 B4R0.1 NC(=S)CO MCULE-9301705313 [0,0,0,0,0,0|1,1,0]=2 266 B4R0.1 NCC(=O)N MCULE-1048848056 [0,0,0,0,0,0|2,0,0]=2 267 B4R0.1 NCC(=O)N MCULE-2174395809 [0,0,0,0,0,0|2,0,0]=2 268 B4R0.1 NCC(=O)N MCULE-6113166250 [0,0,0,0,0,0|2,0,0]=2 269 B4R0.1 NCC(=O)O MCULE-2415764032 [0,0,0,0,0,0|3,0,0]=3 270 B4R0.1 NCC(=O)O MCULE-3643110755 [0,0,0,0,0,0|3,0,0]=3 271 B4R0.1 NCC(=O)O MCULE-4349255299 [0,0,0,0,0,0|3,0,0]=3 272 B4R0.1 NCC(=O)O MCULE-9146223615 [0,0,0,0,0,0|3,0,0]=3 273 B4R0.1 NCC(=O)O MCULE-9701991737 [0,0,0,0,0,0|3,0,0]=3 274 B4R0.1 NCC(=O)S MCULE-9837799864 [0,0,0,0,0,0|3,0,0]=3 275 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [0,0,0,0,0,0|3,0,0]=3 276 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [0,0,0,0,0,0|4,0,0]=4 277 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [0,0,0,0,0,0|4,0,0]=4 278 B4R0.1 NN=C(N)N MCULE-4671721847 [0,0,0,0,0,0|2,0,1]=3 279 B4R0.1 NNC(=O)N MCULE-3392559370 [0,0,0,0,0,0|1,0,0]=1 280 B4R0.1 NNC(=O)N MCULE-8490374775 [0,0,0,0,0,0|1,0,0]=1 281 B4R0.1 NNC(=S)N MCULE-2970024636 [0,0,0,0,0,0|1,1,0]=2 282 B4R0.1 NNC(=S)N MCULE-6378380063 [0,0,0,0,0,0|1,1,0]=2 283 B4R0.1 O=C(Br)CBr MCULE-6031858200 [0,0,0,0,0,0|3,0,0]=3 284 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [0,0,0,0,0,0|3,0,0]=3 285 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [0,0,0,0,0,0|3,0,0]=3 286 B4R0.1 O=C(Cl)CF MCULE-7182087882 [0,0,0,0,0,0|3,0,0]=3 287 B4R0.1 O=C(Cl)CI MCULE-5719121455 [0,0,0,0,0,0|3,0,0]=3 288 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [0,0,0,0,0,0|3,0,0]=3 289 B4R0.1 O=C(O)CBr MCULE-1503716137 [0,0,0,0,0,0|3,0,0]=3 290 B4R0.1 O=C(O)CCl MCULE-9228754880 [0,0,0,0,0,0|3,0,0]=3 291 B4R0.1 O=C(O)CF MCULE-6584094437 [0,0,0,0,0,0|3,0,0]=3 292 B4R0.1 O=C(O)CI MCULE-3146792857 [0,0,0,0,0,0|3,0,0]=3 293 B4R0.1 O=C(O)CO MCULE-9792551388 [0,0,0,0,0,0|2,0,0]=2 294 B4R0.1 O=C(O)CS MCULE-8097997001 [0,0,0,0,0,0|2,1,0]=3 295 B4R0.1 O=C([O-])CF MCULE-8428965857 [0,0,0,0,0,0|3,0,0]=3 296 B4R0.1 O=C([O-])CO MCULE-2780567509 [0,0,0,0,0,0|2,0,0]=2 297 B4R0.1 O=C([O-])CS MCULE-3314809220 [0,0,0,0,0,0|2,1,0]=3 298 B4R0.1 O=C([O-])CS MCULE-5989133747 [0,0,0,0,0,0|2,1,0]=3 299 B4R0.1 O=CC(=O)O MCULE-5307898766 [0,0,0,0,0,0|2,0,1]=3 300 B4R0.1 O=N(=O)CBr MCULE-5030744397 [0,0,0,0,0,0|4,0,0]=4 301 B4R0.1 O=N(=O)CF MCULE-9920695539 [0,0,0,0,0,0|4,0,0]=4 302 B4R0.1 O=S(O)CO MCULE-4195832185 [0,0,0,0,0,0|3,0,0]=3 303 B4R0.1 O=S([O-])CF MCULE-5711587598 [0,0,0,0,0,0|4,0,0]=4 304 B4R0.1 O=S([O-])CF MCULE-9276464291 [0,0,0,0,0,0|4,0,0]=4 305 B4R0.1 O=S([O-])CO MCULE-5211722344 [0,0,0,0,0,0|3,0,0]=3 306 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [0,0,0,0,0,0|3,0,1]=4 307 B4R0.1 OCC(F)Br MCULE-5466660542 [0,0,0,0,0,0|3,0,1]=4 308 B4R0.1 OCC(F)F MCULE-3252378943 [0,0,0,0,0,0|3,0,1]=4 309 B4R0.1 ON=C(Br)Br MCULE-4053513648 [0,0,0,0,0,0|2,0,1]=3 310 B4R0.1 P(=O)(O)CN MCULE-5441171864 [0,0,0,0,0,0|4,0,0]=4 311 B4R0.1 [NH3+]NC(=N)N MCULE-6971198355 [0,0,0,0,0,0|2,0,0]=2 312 B3R0.1 Br/C=C/Br MCULE-6284547614 [1,0,0,0,0,0|3,0,0]=4 313 B3R0.1 BrC=CBr MCULE-4478409345 [1,0,0,0,0,0|3,0,0]=4 314 B3R0.1 C#CC=O MCULE-4187736819 [1,0,0,0,0,0|2,0,0]=3 315 B3R0.1 C#CCN MCULE-3201948975 [1,0,0,0,0,0|2,0,1]=4 316 B3R0.1 C#CCN MCULE-6286515491 [1,0,0,0,0,0|2,0,1]=4 317 B3R0.1 C#CCO MCULE-3909200923 [1,0,0,0,0,0|2,0,1]=4 318 B3R0.1 C/B=N/O MCULE-5227399299 [1,0,0,0,0,0|2,0,1]=4 319 B3R0.1 C/C=C/Br MCULE-4076369660 [1,0,0,0,0,0|3,0,0]=4 320 B3R0.1 C/C=N/O MCULE-2376410404 [1,0,0,0,0,0|1,0,1]=3 321 B3R0.1 C=CC#N MCULE-8176403366 [1,0,0,0,0,0|3,0,0]=4 322 B3R0.1 C=CC=C MCULE-4134157329 [1,0,0,0,0,0|3,0,0]=4 323 B3R0.1 C=CC=O MCULE-2104890669 [1,0,0,0,0,0|2,0,0]=3 324 B3R0.1 C=CCBr MCULE-9486454833 [1,0,0,0,0,0|3,0,0]=4 325 B3R0.1 C=CCC MCULE-8167907130 [1,0,0,0,0,0|3,0,0]=4 326 B3R0.1 C=CCCl MCULE-4067772785 [1,0,0,0,0,0|3,0,0]=4 327 B3R0.1 C=CCF MCULE-7783191980 [1,0,0,0,0,0|3,0,0]=4 328 B3R0.1 C=CCI MCULE-5037698873 [1,0,0,0,0,0|3,0,0]=4 329 B3R0.1 C=CCN MCULE-2424616806 [1,0,0,0,0,0|2,0,1]=4 330 B3R0.1 C=CCN MCULE-2473480946 [1,0,0,0,0,0|2,0,1]=4 331 B3R0.1 C=CCO MCULE-2145308838 [1,0,0,0,0,0|2,0,0]=3 332 B3R0.1 C=CCS MCULE-7270484838 [1,0,0,0,0,0|2,1,0]=4 333 B3R0.1 C=COC MCULE-4880746684 [1,0,0,0,0,0|3,0,0]=4 334 B3R0.1 CC=CBr MCULE-2098755460 [1,0,0,0,0,0|3,0,0]=4 335 B3R0.1 CC=CCl MCULE-9225887510 [1,0,0,0,0,0|3,0,0]=4 336 B3R0.1 CC=NO MCULE-9761317381 [1,0,0,0,0,0|1,0,1]=3 337 B3R0.1 CCC=O MCULE-4079744837 [1,0,0,0,0,0|2,0,0]=3 338 B3R0.1 CCCN MCULE-2885523792 [1,0,0,0,0,0|2,0,1]=4 339 B3R0.1 CCCN MCULE-4318907091 [1,0,0,0,0,0|2,0,1]=4 340 B3R0.1 CCCN MCULE-6330457870 [1,0,0,0,0,0|2,0,1]=4 341 B3R0.1 CCCN MCULE-7146820007 [1,0,0,0,0,0|2,0,1]=4 342 B3R0.1 CCCO MCULE-6252105126 [1,0,0,0,0,0|2,0,1]=4 343 B3R0.1 CCNC MCULE-7215376398 [1,0,0,0,0,0|2,0,1]=4 344 B3R0.1 CCNC MCULE-9811899205 [1,0,0,0,0,0|2,0,1]=4 345 B3R0.1 CCNN MCULE-4753127904 [1,0,0,0,0,0|2,0,1]=4 346 B3R0.1 CCNN MCULE-7630363192 [1,0,0,0,0,0|2,0,1]=4 347 B3R0.1 CCNN MCULE-8402230944 [1,0,0,0,0,0|2,0,1]=4 348 B3R0.1 CCNO MCULE-1215586669 [1,0,0,0,0,0|1,0,1]=3 349 B3R0.1 CCNO MCULE-7075818857 [1,0,0,0,0,0|1,0,1]=3 350 B3R0.1 CCON MCULE-5316082054 [1,0,0,0,0,0|3,0,0]=4 351 B3R0.1 CCON MCULE-6621418839 [1,0,0,0,0,0|3,0,0]=4 352 B3R0.1 CN=C=O MCULE-7764606582 [1,0,0,0,0,0|1,0,2]=4 353 B3R0.1 CNC#N MCULE-9135475289 [1,0,0,0,0,0|1,0,2]=4 354 B3R0.1 CNC=O MCULE-4739122677 [1,0,0,0,0,0|1,0,0]=2 355 B3R0.1 CNC=S MCULE-1018523469 [1,0,0,0,0,0|1,1,0]=3 356 B3R0.1 CNNC MCULE-5932476941 [1,0,0,0,0,0|3,0,0]=4 357 B3R0.1 CNNC MCULE-6419598860 [1,0,0,0,0,0|3,0,0]=4 358 B3R0.1 CNOC MCULE-1706082503 [1,0,0,0,0,0|3,0,0]=4 359 B3R0.1 CNOC MCULE-6224540090 [1,0,0,0,0,0|3,0,0]=4 360 B3R0.1 COC=O MCULE-9122749354 [1,0,0,0,0,0|2,0,0]=3 361 B3R0.1 Cl/C=C/Cl MCULE-8326307647 [1,0,0,0,0,0|3,0,0]=4 362 B3R0.1 Cl/C=C\Cl MCULE-8638364223 [1,0,0,0,0,0|3,0,0]=4 363 B3R0.1 ClC=CCl MCULE-1709740532 [1,0,0,0,0,0|3,0,0]=4 364 B3R0.1 F/C=C/Cl MCULE-6748930384 [1,0,0,0,0,0|3,0,0]=4 365 B3R0.1 FC=CBr MCULE-3730796032 [1,0,0,0,0,0|3,0,0]=4 366 B3R0.1 FC=CCl MCULE-8668714110 [1,0,0,0,0,0|3,0,0]=4 367 B3R0.1 FC=CF MCULE-1668825245 [1,0,0,0,0,0|3,0,0]=4 368 B3R0.1 N#CCN MCULE-6677928349 [1,0,0,0,0,0|2,0,1]=4 369 B3R0.1 N#CCN MCULE-6699419972 [1,0,0,0,0,0|2,0,1]=4 370 B3R0.1 N/C=N/O MCULE-9567664507 [1,0,0,0,0,0|0,0,1]=2 371 B3R0.1 NCCBr MCULE-3401124597 [1,0,0,0,0,0|2,0,1]=4 372 B3R0.1 NCCBr MCULE-6215378497 [1,0,0,0,0,0|2,0,1]=4 373 B3R0.1 NCCCl MCULE-1458699843 [1,0,0,0,0,0|2,0,1]=4 374 B3R0.1 NCCCl MCULE-6944306112 [1,0,0,0,0,0|2,0,1]=4 375 B3R0.1 NCCF MCULE-1670520169 [1,0,0,0,0,0|2,0,1]=4 376 B3R0.1 NCCF MCULE-4963351029 [1,0,0,0,0,0|2,0,1]=4 377 B3R0.1 NCCI MCULE-6905308399 [1,0,0,0,0,0|2,0,1]=4 378 B3R0.1 NCCI MCULE-7487764362 [1,0,0,0,0,0|2,0,1]=4 379 B3R0.1 NCCN MCULE-4740333723 [1,0,0,0,0,0|2,0,1]=4 380 B3R0.1 NCCN MCULE-6795272853 [1,0,0,0,0,0|2,0,1]=4 381 B3R0.1 NCCN MCULE-8304126024 [1,0,0,0,0,0|2,0,1]=4 382 B3R0.1 NCCN MCULE-8325612144 [1,0,0,0,0,0|2,0,1]=4 383 B3R0.1 NCCO MCULE-5175116598 [1,0,0,0,0,0|1,0,1]=3 384 B3R0.1 NCCO MCULE-8624730373 [1,0,0,0,0,0|1,0,1]=3 385 B3R0.1 NCCS MCULE-1838427828 [1,0,0,0,0,0|1,1,1]=4 386 B3R0.1 NCCS MCULE-2418938683 [1,0,0,0,0,0|1,1,1]=4 387 B3R0.1 NNC=O MCULE-6986968107 [1,0,0,0,0,0|1,0,0]=2 388 B3R0.1 NOC=O MCULE-4489199776 [1,0,0,0,0,0|2,0,0]=3 389 B3R0.1 O=CC=O MCULE-3212938778 [1,0,0,0,0,0|1,0,1]=3 390 B3R0.1 O=CCBr MCULE-9076011270 [1,0,0,0,0,0|2,0,0]=3 391 B3R0.1 O=CCCl MCULE-7307216184 [1,0,0,0,0,0|2,0,0]=3 392 B3R0.1 O=CCI MCULE-1146810366 [1,0,0,0,0,0|2,0,0]=3 393 B3R0.1 OCCBr MCULE-5097256006 [1,0,0,0,0,0|2,0,1]=4 394 B3R0.1 OCCCl MCULE-5139580173 [1,0,0,0,0,0|2,0,1]=4 395 B3R0.1 OCCF MCULE-7590677201 [1,0,0,0,0,0|2,0,1]=4 396 B3R0.1 OCCI MCULE-8359750387 [1,0,0,0,0,0|2,0,1]=4 397 B3R0.1 OCCO MCULE-6366313128 [1,0,0,0,0,0|1,0,2]=4 398 B3R0.1 OCCS MCULE-2252943288 [1,0,0,0,0,0|1,1,1]=4 399 B3R0.2 C=C(C)Br MCULE-7805530064 [1,0,0,0,0,0|3,0,0]=4 400 B3R0.2 C=C(C)C MCULE-5640095130 [1,0,0,0,0,0|3,0,0]=4 401 B3R0.2 C=C(C)Cl MCULE-1752401095 [1,0,0,0,0,0|3,0,0]=4 402 B3R0.2 C=C(C)F MCULE-3213198231 [1,0,0,0,0,0|3,0,0]=4 403 B3R0.2 C=C(Cl)Cl MCULE-1430323756 [1,0,0,0,0,0|3,0,0]=4 404 B3R0.2 C=C(F)Cl MCULE-8528897253 [1,0,0,0,0,0|3,0,0]=4 405 B3R0.2 C=C(F)F MCULE-2471767745 [1,0,0,0,0,0|3,0,0]=4 406 B3R0.2 CB(O)O MCULE-3510763826 [1,0,0,0,0,0|2,0,1]=4 407 B3R0.2 CC(=N)N MCULE-3235425606 [1,0,0,0,0,0|1,0,1]=3 408 B3R0.2 CC(=N)N MCULE-3546679379 [1,0,0,0,0,0|1,0,1]=3 409 B3R0.2 CC(=N)N MCULE-3597638887 [1,0,0,0,0,0|1,0,1]=3 410 B3R0.2 CC(=N)N MCULE-9831274654 [1,0,0,0,0,0|1,0,1]=3 411 B3R0.2 CC(=O)Br MCULE-4892265063 [1,0,0,0,0,0|2,0,0]=3 412 B3R0.2 CC(=O)C MCULE-6679625040 [1,0,0,0,0,0|2,0,0]=3 413 B3R0.2 CC(=O)Cl MCULE-9041746362 [1,0,0,0,0,0|2,0,0]=3 414 B3R0.2 CC(=O)I MCULE-4812718701 [1,0,0,0,0,0|2,0,0]=3 415 B3R0.2 CC(=O)N MCULE-9280264861 [1,0,0,0,0,0|1,0,0]=2 416 B3R0.2 CC(=O)O MCULE-1502330578 [1,0,0,0,0,0|1,0,0]=2 417 B3R0.2 CC(=O)O MCULE-5514028500 [1,0,0,0,0,0|1,0,0]=2 418 B3R0.2 CC(=O)O MCULE-5942589566 [1,0,0,0,0,0|1,0,0]=2 419 B3R0.2 CC(=O)O MCULE-6780070129 [1,0,0,0,0,0|1,0,0]=2 420 B3R0.2 CC(=O)O MCULE-8295936189 [1,0,0,0,0,0|1,0,0]=2 421 B3R0.2 CC(=O)O MCULE-9103972283 [1,0,0,0,0,0|1,0,0]=2 422 B3R0.2 CC(=O)O MCULE-9900518424 [1,0,0,0,0,0|1,0,0]=2 423 B3R0.2 CC(=O)S MCULE-5769447035 [1,0,0,0,0,0|1,1,0]=3 424 B3R0.2 CC(=O)[O-] MCULE-2314460022 [1,0,0,0,0,0|1,0,1]=3 425 B3R0.2 CC(=O)[O-] MCULE-2960771771 [1,0,0,0,0,0|1,0,1]=3 426 B3R0.2 CC(=O)[O-] MCULE-5334052410 [1,0,0,0,0,0|1,0,1]=3 427 B3R0.2 CC(=O)[O-] MCULE-5482908386 [1,0,0,0,0,0|1,0,1]=3 428 B3R0.2 CC(=O)[O-] MCULE-9723570182 [1,0,0,0,0,0|1,0,1]=3 429 B3R0.2 CC(=O)[O-] MCULE-9910426896 [1,0,0,0,0,0|1,0,1]=3 430 B3R0.2 CC(=S)N MCULE-4635097605 [1,0,0,0,0,0|1,1,0]=3 431 B3R0.2 CC(=S)[O-] MCULE-1878530758 [1,0,0,0,0,0|1,1,1]=4 432 B3R0.2 CC(C)N MCULE-1048799006 [1,0,0,0,0,0|2,0,1]=4 433 B3R0.2 CC(C)N MCULE-1125416142 [1,0,0,0,0,0|2,0,1]=4 434 B3R0.2 CC(C)N MCULE-2418429353 [1,0,0,0,0,0|2,0,1]=4 435 B3R0.2 CC(C)N MCULE-7280647435 [1,0,0,0,0,0|2,0,1]=4 436 B3R0.2 CC(C)O MCULE-6646752234 [1,0,0,0,0,0|2,0,1]=4 437 B3R0.2 CN(=O)=O MCULE-8704524604 [1,0,0,0,0,0|2,0,1]=4 438 B3R0.2 CN(C)N MCULE-7177216911 [1,0,0,0,0,0|3,0,0]=4 439 B3R0.2 CN(C)N MCULE-8775366011 [1,0,0,0,0,0|3,0,0]=4 440 B3R0.2 CN(C)O MCULE-6572915706 [1,0,0,0,0,0|3,0,0]=4 441 B3R0.2 CN(C)O MCULE-6950647562 [1,0,0,0,0,0|3,0,0]=4 442 B3R0.2 CP(=O)C MCULE-6150886622 [1,0,0,0,0,0|3,0,0]=4 443 B3R0.2 CS(=O)C MCULE-2005841258 [1,0,0,0,0,0|3,0,0]=4 444 B3R0.2 CS(=O)Cl MCULE-1292201352 [1,0,0,0,0,0|3,0,0]=4 445 B3R0.2 CS(=O)N MCULE-5162949591 [1,0,0,0,0,0|2,0,0]=3 446 B3R0.2 CS(=O)O MCULE-8711306710 [1,0,0,0,0,0|2,0,0]=3 447 B3R0.2 CS(=O)[O-] MCULE-1437194827 [1,0,0,0,0,0|2,0,1]=4 448 B3R0.2 C[Se](=O)C MCULE-4596040471 [1,0,0,0,0,0|3,0,0]=4 449 B3R0.2 C[Se](=O)O MCULE-5568767851 [1,0,0,0,0,0|2,0,0]=3 450 B3R0.2 N=C(N)Cl MCULE-4764134011 [1,0,0,0,0,0|1,0,1]=3 451 B3R0.2 N=C(N)Cl MCULE-7852054677 [1,0,0,0,0,0|1,0,1]=3 452 B3R0.2 N=C(N)N MCULE-1152750770 [1,0,0,0,0,0|1,0,0]=2 453 B3R0.2 N=C(N)N MCULE-1411566696 [1,0,0,0,0,0|1,0,0]=2 454 B3R0.2 N=C(N)N MCULE-4266731066 [1,0,0,0,0,0|1,0,0]=2 455 B3R0.2 N=C(N)N MCULE-5921771392 [1,0,0,0,0,0|1,0,0]=2 456 B3R0.2 N=C(N)N MCULE-6036914599 [1,0,0,0,0,0|1,0,0]=2 457 B3R0.2 N=C(N)N MCULE-6164013415 [1,0,0,0,0,0|1,0,0]=2 458 B3R0.2 N=C(N)N MCULE-9649225484 [1,0,0,0,0,0|1,0,0]=2 459 B3R0.2 NC(=O)N MCULE-3224868954 [1,0,0,0,0,0|0,0,0]=1 460 B3R0.2 NC(=O)N MCULE-8513891094 [1,0,0,0,0,0|0,0,0]=1 461 B3R0.2 NC(=O)O MCULE-1579038047 [1,0,0,0,0,0|0,0,0]=1 462 B3R0.2 NC(=O)O MCULE-3232812015 [1,0,0,0,0,0|0,0,0]=1 463 B3R0.2 NC(=S)N MCULE-5046264236 [1,0,0,0,0,0|0,1,0]=2 464 B3R0.2 NC(=S)S MCULE-6182511253 [1,0,0,0,0,0|0,2,0]=3 465 B3R0.2 NC(=S)[S-] MCULE-1680327465 [1,0,0,0,0,0|0,2,0]=3 466 B3R0.2 NC(=[Se])N MCULE-3936244532 [1,0,0,0,0,0|0,1,0]=2 467 B3R0.2 O=C(Cl)[Au] MCULE-6601882022 [1,0,0,0,0,0|2,0,0]=3 468 B3R0.2 O=C(O)O MCULE-3743781291 [1,0,0,0,0,0|1,0,0]=2 469 B3R0.2 O=C(O)O MCULE-6373078171 [1,0,0,0,0,0|1,0,0]=2 470 B3R0.2 O=C([O-])O MCULE-5529655359 [1,0,0,0,0,0|1,0,0]=2 471 B3R0.2 O=C([O-])O MCULE-7293729150 [1,0,0,0,0,0|1,0,0]=2 472 B3R0.2 O=C([O-])[O-] MCULE-1092668330 [1,0,0,0,0,0|1,0,1]=3 473 B3R0.2 O=C([O-])[O-] MCULE-1095103800 [1,0,0,0,0,0|1,0,1]=3 474 B3R0.2 O=C([O-])[O-] MCULE-1597066471 [1,0,0,0,0,0|1,0,1]=3 475 B3R0.2 O=C([O-])[O-] MCULE-2005483457 [1,0,0,0,0,0|1,0,1]=3 476 B3R0.2 O=C([O-])[O-] MCULE-3299525070 [1,0,0,0,0,0|1,0,1]=3 477 B3R0.2 O=C([O-])[O-] MCULE-4074516840 [1,0,0,0,0,0|1,0,1]=3 478 B3R0.2 O=C([O-])[O-] MCULE-4180727513 [1,0,0,0,0,0|1,0,1]=3 479 B3R0.2 O=C([O-])[O-] MCULE-4294265087 [1,0,0,0,0,0|1,0,1]=3 480 B3R0.2 O=C([O-])[O-] MCULE-5127021441 [1,0,0,0,0,0|1,0,1]=3 481 B3R0.2 O=C([O-])[O-] MCULE-5345790821 [1,0,0,0,0,0|1,0,1]=3 482 B3R0.2 O=C([O-])[O-] MCULE-6214917073 [1,0,0,0,0,0|1,0,1]=3 483 B3R0.2 O=C([O-])[O-] MCULE-6757968396 [1,0,0,0,0,0|1,0,1]=3 484 B3R0.2 O=C([O-])[O-] MCULE-7714638074 [1,0,0,0,0,0|1,0,1]=3 485 B3R0.2 O=C([O-])[O-] MCULE-8731559807 [1,0,0,0,0,0|1,0,1]=3 486 B3R0.2 O=I(=O)O MCULE-6335954469 [1,0,0,0,0,0|2,0,0]=3 487 B3R0.2 O=I(=O)O MCULE-7906123102 [1,0,0,0,0,0|2,0,0]=3 488 B3R0.2 O=N(=O)=O MCULE-1959019189 [1,0,0,0,0,0|2,0,1]=4 489 B3R0.2 O=N(=O)=O MCULE-2708947237 [1,0,0,0,0,0|2,0,1]=4 490 B3R0.2 O=N(=O)=O MCULE-5271549027 [1,0,0,0,0,0|2,0,1]=4 491 B3R0.2 O=N(=O)=O MCULE-7854950179 [1,0,0,0,0,0|2,0,1]=4 492 B3R0.2 O=N(=O)=O MCULE-9135268225 [1,0,0,0,0,0|2,0,1]=4 493 B3R0.2 O=N(=O)O MCULE-5926867268 [1,0,0,0,0,0|2,0,0]=3 494 B3R0.2 O=N(=O)O MCULE-8501453871 [1,0,0,0,0,0|2,0,0]=3 495 B3R0.2 O=N(=O)[O-] MCULE-6774438996 [1,0,0,0,0,0|2,0,1]=4 496 B3R0.2 O=P(=O)O MCULE-3007887617 [1,0,0,0,0,0|2,0,0]=3 497 B3R0.2 O=P(=O)[O-] MCULE-1412944829 [1,0,0,0,0,0|2,0,1]=4 498 B3R0.2 O=P(=O)[O-] MCULE-4322560801 [1,0,0,0,0,0|2,0,1]=4 499 B3R0.2 O=P(=O)[O-] MCULE-6900289315 [1,0,0,0,0,0|2,0,1]=4 500 B3R0.2 O=P(O)O MCULE-8889145943 [1,0,0,0,0,0|2,0,0]=3 501 B3R0.2 O=P([O-])O MCULE-3773885400 [1,0,0,0,0,0|2,0,0]=3 502 B3R0.2 O=P([O-])O MCULE-6745348516 [1,0,0,0,0,0|2,0,0]=3 503 B3R0.2 O=S(=O)=O MCULE-3497956371 [1,0,0,0,0,0|2,0,1]=4 504 B3R0.2 O=S(=O)O MCULE-7070708516 [1,0,0,0,0,0|2,0,0]=3 505 B3R0.2 O=S(Br)Br MCULE-8128997630 [1,0,0,0,0,0|3,0,0]=4 506 B3R0.2 O=S(F)F MCULE-8893634369 [1,0,0,0,0,0|3,0,0]=4 507 B3R0.2 O=S(O)O MCULE-3188569799 [1,0,0,0,0,0|2,0,0]=3 508 B3R0.2 O=S(O)O MCULE-7812738469 [1,0,0,0,0,0|2,0,0]=3 509 B3R0.2 O=S([O-])[O-] MCULE-6510216426 [1,0,0,0,0,0|2,0,1]=4 510 B3R0.2 O=[Se](Cl)Cl MCULE-7426137156 [1,0,0,0,0,0|3,0,0]=4 511 B3R0.2 O=[Se](O)O MCULE-9081277469 [1,0,0,0,0,0|2,0,0]=3 512 B3R0.2 O=[Si](O)O MCULE-3228936275 [1,0,0,0,0,0|1,1,0]=3 513 B3R0.2 OB(O)O MCULE-2905906674 [1,0,0,0,0,0|2,0,1]=4 514 B3R0.2 OB(O)O MCULE-8095091838 [1,0,0,0,0,0|2,0,1]=4 515 B3R0.2 OP(O)O MCULE-9313199709 [1,0,0,0,0,0|2,0,1]=4 516 B3R0.2 S=C(Cl)Cl MCULE-2150830304 [1,0,0,0,0,0|2,1,0]=4 517 B3R0.2 [O-]P([O-])O MCULE-1307635620 [1,0,0,0,0,0|2,0,1]=4 518 B3R0.2 [O-]P([O-])O MCULE-4722745097 [1,0,0,0,0,0|2,0,1]=4 519 B5R0.1 C#CCC(=O)O MCULE-4680699666 [0,1,0,0,0,0|3,0,0]=4 520 B5R0.1 C(C)(N)CCO MCULE-5545469271 [0,1,0,0,0,0|2,0,1]=4 521 B5R0.1 C/C(=C/C#N)/N MCULE-2195544039 [0,1,0,0,0,0|3,0,0]=4 522 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [0,1,0,0,0,0|3,0,0]=4 523 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [0,1,0,0,0,0|3,0,0]=4 524 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [0,1,0,0,0,0|2,0,0]=3 525 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [0,1,0,0,0,0|3,0,0]=4 526 B5R0.1 C=C(Br)CCO MCULE-3743908958 [0,1,0,0,0,0|3,0,0]=4 527 B5R0.1 C=C(Br)COC MCULE-5349428431 [0,1,0,0,0,0|3,0,0]=4 528 B5R0.1 C=C(C)CCO MCULE-2689800711 [0,1,0,0,0,0|3,0,0]=4 529 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,1,0,0,0,0|3,0,0]=4 530 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,1,0,0,0,0|3,0,0]=4 531 B5R0.1 C=C(C)CNN MCULE-1117931770 [0,1,0,0,0,0|3,0,0]=4 532 B5R0.1 C=C(C)CON MCULE-2773974323 [0,1,0,0,0,0|3,0,0]=4 533 B5R0.1 C=C(C)CON MCULE-5978680243 [0,1,0,0,0,0|3,0,0]=4 534 B5R0.1 C=CCC(=N)N MCULE-6305125234 [0,1,0,0,0,0|3,0,0]=4 535 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [0,1,0,0,0,0|3,0,0]=4 536 B5R0.1 C=CCC(=O)N MCULE-1205335257 [0,1,0,0,0,0|2,0,0]=3 537 B5R0.1 C=CCC(=O)O MCULE-6288979337 [0,1,0,0,0,0|3,0,0]=4 538 B5R0.1 C=CNC(=O)C MCULE-1260296806 [0,1,0,0,0,0|2,0,0]=3 539 B5R0.1 C=CNC(=O)N MCULE-4235216182 [0,1,0,0,0,0|1,0,0]=2 540 B5R0.1 C=COC(=O)C MCULE-7626795765 [0,1,0,0,0,0|3,0,0]=4 541 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [0,1,0,0,0,0|3,0,0]=4 542 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [0,1,0,0,0,0|3,0,0]=4 543 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,1,0,0,0,0|1,0,1]=3 544 B5R0.1 C=NCC(=S)N MCULE-6261527142 [0,1,0,0,0,0|1,1,1]=4 545 B5R0.1 CC#CC(=O)C MCULE-4083248904 [0,1,0,0,0,0|3,0,0]=4 546 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [0,1,0,0,0,0|3,0,0]=4 547 B5R0.1 CC#CC(=O)O MCULE-9994142213 [0,1,0,0,0,0|3,0,0]=4 548 B5R0.1 CC(=CC#N)N MCULE-7342293837 [0,1,0,0,0,0|3,0,0]=4 549 B5R0.1 CC(=CC=O)N MCULE-2659507627 [0,1,0,0,0,0|2,0,1]=4 550 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,1,0,0,0,0|3,0,0]=4 551 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,1,0,0,0,0|3,0,0]=4 552 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,1,0,0,0,0|3,0,0]=4 553 B5R0.1 CC(=N)NC#N MCULE-7065360421 [0,1,0,0,0,0|2,0,1]=4 554 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,1,0,0,0,0|1,0,1]=3 555 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,1,0,0,0,0|1,0,1]=3 556 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [0,1,0,0,0,0|2,0,1]=4 557 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,1,0,0,0,0|1,0,1]=3 558 B5R0.1 CC(=O)CC#N MCULE-7203242552 [0,1,0,0,0,0|3,0,0]=4 559 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,1,0,0,0,0|3,0,0]=4 560 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,1,0,0,0,0|3,0,0]=4 561 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,1,0,0,0,0|3,0,0]=4 562 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,1,0,0,0,0|3,0,0]=4 563 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,1,0,0,0,0|2,0,0]=3 564 B5R0.1 CC(=O)N=C=S MCULE-7540453687 [0,1,0,0,0,0|1,1,1]=4 565 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [0,1,0,0,0,0|1,0,2]=4 566 B5R0.1 CC(=O)NC#N MCULE-8444599659 [0,1,0,0,0,0|2,0,0]=3 567 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,1,0,0,0,0|1,0,0]=2 568 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,1,0,0,0,0|3,0,0]=4 569 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,1,0,0,0,0|3,0,0]=4 570 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,1,0,0,0,0|3,0,0]=4 571 B5R0.1 CC(N)CCO MCULE-1771399942 [0,1,0,0,0,0|2,0,1]=4 572 B5R0.1 CC(N)CCO MCULE-7239872808 [0,1,0,0,0,0|2,0,1]=4 573 B5R0.1 CC=CC(=O)C MCULE-4826977340 [0,1,0,0,0,0|3,0,0]=4 574 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [0,1,0,0,0,0|3,0,0]=4 575 B5R0.1 CC=CC(=O)N MCULE-9693879476 [0,1,0,0,0,0|2,0,0]=3 576 B5R0.1 CC=CC(=O)O MCULE-7970410217 [0,1,0,0,0,0|3,0,0]=4 577 B5R0.1 CCCC(=N)N MCULE-5974105638 [0,1,0,0,0,0|3,0,0]=4 578 B5R0.1 CCCC(=N)N MCULE-9230704591 [0,1,0,0,0,0|3,0,0]=4 579 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,1,0,0,0,0|3,0,0]=4 580 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,1,0,0,0,0|3,0,0]=4 581 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,1,0,0,0,0|2,0,0]=3 582 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,1,0,0,0,0|3,0,0]=4 583 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,1,0,0,0,0|3,0,0]=4 584 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,1,0,0,0,0|3,0,0]=4 585 B5R0.1 CCCC(=S)N MCULE-3529335988 [0,1,0,0,0,0|2,1,0]=4 586 B5R0.1 CCNC(=N)N MCULE-4729418155 [0,1,0,0,0,0|2,0,0]=3 587 B5R0.1 CCNC(=N)N MCULE-5123343071 [0,1,0,0,0,0|2,0,0]=3 588 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,1,0,0,0,0|2,0,0]=3 589 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [0,1,0,0,0,0|2,0,0]=3 590 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,1,0,0,0,0|1,0,0]=2 591 B5R0.1 CCNC(=S)N MCULE-3849517146 [0,1,0,0,0,0|1,1,0]=3 592 B5R0.1 CCOC(=N)N MCULE-3570858508 [0,1,0,0,0,0|3,0,0]=4 593 B5R0.1 CCOC(=N)N MCULE-6061063856 [0,1,0,0,0,0|3,0,0]=4 594 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,1,0,0,0,0|3,0,0]=4 595 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [0,1,0,0,0,0|3,0,0]=4 596 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,1,0,0,0,0|2,0,0]=3 597 B5R0.1 CCOC(=S)N MCULE-4649285010 [0,1,0,0,0,0|2,1,0]=4 598 B5R0.1 CCSC(=N)N MCULE-2161729152 [0,1,0,0,0,0|3,0,0]=4 599 B5R0.1 CCSC(=N)N MCULE-2547252984 [0,1,0,0,0,0|3,0,0]=4 600 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,1,0,0,0,0|3,0,0]=4 601 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [0,1,0,0,0,0|2,0,1]=4 602 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [0,1,0,0,0,0|3,0,0]=4 603 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [0,1,0,0,0,0|3,0,0]=4 604 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,1,0,0,0,0|2,0,0]=3 605 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,1,0,0,0,0|2,0,0]=3 606 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,1,0,0,0,0|1,0,0]=2 607 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,1,0,0,0,0|1,0,0]=2 608 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,1,0,0,0,0|1,0,0]=2 609 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,1,0,0,0,0|2,0,0]=3 610 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,1,0,0,0,0|2,0,0]=3 611 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,1,0,0,0,0|2,0,0]=3 612 B5R0.1 CNN=C(C)C MCULE-6307375856 [0,1,0,0,0,0|3,0,0]=4 613 B5R0.1 CNNC(=S)N MCULE-5838387497 [0,1,0,0,0,0|1,1,0]=3 614 B5R0.1 CNOC(=O)C MCULE-1464426541 [0,1,0,0,0,0|2,0,0]=3 615 B5R0.1 CNOC(=O)C MCULE-2976282666 [0,1,0,0,0,0|2,0,0]=3 616 B5R0.1 COC=C(C)C MCULE-6348538911 [0,1,0,0,0,0|3,0,0]=4 617 B5R0.1 COCC(=N)N MCULE-4711728356 [0,1,0,0,0,0|2,0,0]=3 618 B5R0.1 COCC(=N)N MCULE-7163250467 [0,1,0,0,0,0|2,0,0]=3 619 B5R0.1 COCC(=O)C MCULE-7262197587 [0,1,0,0,0,0|2,0,0]=3 620 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,1,0,0,0,0|2,0,0]=3 621 B5R0.1 COCC(=O)N MCULE-6674958132 [0,1,0,0,0,0|1,0,0]=2 622 B5R0.1 COCC(=O)O MCULE-3945589151 [0,1,0,0,0,0|2,0,0]=3 623 B5R0.1 COCC(=S)N MCULE-2046809269 [0,1,0,0,0,0|1,1,0]=3 624 B5R0.1 COCC(C)N MCULE-1896873634 [0,1,0,0,0,0|2,0,1]=4 625 B5R0.1 COCC(C)N MCULE-2549420211 [0,1,0,0,0,0|2,0,1]=4 626 B5R0.1 COCC(C)N MCULE-3490410444 [0,1,0,0,0,0|2,0,1]=4 627 B5R0.1 COCC(C)N MCULE-7089888882 [0,1,0,0,0,0|2,0,1]=4 628 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [0,1,0,0,0,0|2,0,1]=4 629 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [0,1,0,0,0,0|2,0,1]=4 630 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [0,1,0,0,0,0|2,0,1]=4 631 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [0,1,0,0,0,0|2,0,1]=4 632 B5R0.1 COC[C@H](C)N MCULE-2465679418 [0,1,0,0,0,0|2,0,1]=4 633 B5R0.1 COC[C@H](C)N MCULE-2998593539 [0,1,0,0,0,0|2,0,1]=4 634 B5R0.1 COC[C@H](C)N MCULE-3161045661 [0,1,0,0,0,0|2,0,1]=4 635 B5R0.1 COC[C@H](C)N MCULE-9550165578 [0,1,0,0,0,0|2,0,1]=4 636 B5R0.1 CONC(=O)C MCULE-6601866630 [0,1,0,0,0,0|1,0,0]=2 637 B5R0.1 CONC(=O)N MCULE-3063713861 [0,1,0,0,0,0|0,0,0]=1 638 B5R0.1 CONC(=S)C MCULE-1876042939 [0,1,0,0,0,0|1,1,0]=3 639 B5R0.1 CS(=O)CCO MCULE-8331553582 [0,1,0,0,0,0|3,0,0]=4 640 B5R0.1 CSCC(=N)N MCULE-7800929509 [0,1,0,0,0,0|2,1,0]=4 641 B5R0.1 CSCC(=N)N MCULE-8499985777 [0,1,0,0,0,0|2,1,0]=4 642 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,1,0,0,0,0|2,1,0]=4 643 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [0,1,0,0,0,0|2,1,0]=4 644 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,1,0,0,0,0|1,1,0]=3 645 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,1,0,0,0,0|2,1,0]=4 646 B5R0.1 CSCC(=S)N MCULE-5029100305 [0,1,0,0,0,0|1,2,0]=4 647 B5R0.1 CSNC(=O)C MCULE-7350061514 [0,1,0,0,0,0|1,1,0]=3 648 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [0,1,0,0,0,0|2,0,1]=4 649 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [0,1,0,0,0,0|2,0,1]=4 650 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [0,1,0,0,0,0|2,0,1]=4 651 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [0,1,0,0,0,0|2,0,1]=4 652 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [0,1,0,0,0,0|2,0,1]=4 653 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [0,1,0,0,0,0|2,0,1]=4 654 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [0,1,0,0,0,0|3,0,0]=4 655 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [0,1,0,0,0,0|3,0,0]=4 656 B5R0.1 N#CCC(=O)N MCULE-8538286230 [0,1,0,0,0,0|2,0,0]=3 657 B5R0.1 N#CCC(=O)O MCULE-3440765061 [0,1,0,0,0,0|3,0,0]=4 658 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [0,1,0,0,0,0|3,0,0]=4 659 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [0,1,0,0,0,0|3,0,0]=4 660 B5R0.1 N#CCC(=S)N MCULE-6348216099 [0,1,0,0,0,0|2,1,0]=4 661 B5R0.1 N#CCC(=[Se])N MCULE-7730610345 [0,1,0,0,0,0|2,1,0]=4 662 B5R0.1 N#CN=C(N)N MCULE-3951314719 [0,1,0,0,0,0|2,0,1]=4 663 B5R0.1 N=C(N)CCCl MCULE-2314996365 [0,1,0,0,0,0|3,0,0]=4 664 B5R0.1 N=C(N)CCCl MCULE-3129838313 [0,1,0,0,0,0|3,0,0]=4 665 B5R0.1 N=C(N)CCO MCULE-4567824707 [0,1,0,0,0,0|2,0,0]=3 666 B5R0.1 N=C(N)CCO MCULE-7139693715 [0,1,0,0,0,0|2,0,0]=3 667 B5R0.1 N=C(N)NC=O MCULE-2702198735 [0,1,0,0,0,0|1,0,1]=3 668 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [0,1,0,0,0,0|2,0,0]=3 669 B5R0.1 NC(=O)C=NO MCULE-6447662753 [0,1,0,0,0,0|0,0,1]=2 670 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,1,0,0,0,0|2,0,0]=3 671 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,1,0,0,0,0|2,0,0]=3 672 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,1,0,0,0,0|1,0,0]=2 673 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,1,0,0,0,0|1,1,0]=3 674 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,1,0,0,0,0|0,0,0]=1 675 B5R0.1 NC(=O)NN=O MCULE-2820469915 [0,1,0,0,0,0|0,0,1]=2 676 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,1,0,0,0,0|3,0,0]=4 677 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,1,0,0,0,0|2,0,0]=3 678 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,1,0,0,0,0|2,0,0]=3 679 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,1,0,0,0,0|3,0,0]=4 680 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,1,0,0,0,0|3,0,0]=4 681 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,1,0,0,0,0|3,0,0]=4 682 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,1,0,0,0,0|3,0,0]=4 683 B5R0.1 NNCC(=O)N MCULE-2794619708 [0,1,0,0,0,0|1,0,0]=2 684 B5R0.1 NNCC(=O)N MCULE-6773156087 [0,1,0,0,0,0|1,0,0]=2 685 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,1,0,0,0,0|2,0,0]=3 686 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,1,0,0,0,0|2,0,0]=3 687 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,1,0,0,0,0|2,0,0]=3 688 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,1,0,0,0,0|2,0,0]=3 689 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,1,0,0,0,0|2,0,0]=3 690 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [0,1,0,0,0,0|3,0,0]=4 691 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,1,0,0,0,0|3,0,0]=4 692 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [0,1,0,0,0,0|3,0,0]=4 693 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [0,1,0,0,0,0|3,0,0]=4 694 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [0,1,0,0,0,0|3,0,0]=4 695 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [0,1,0,0,0,0|3,0,0]=4 696 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [0,1,0,0,0,0|3,0,0]=4 697 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [0,1,0,0,0,0|3,0,0]=4 698 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [0,1,0,0,0,0|3,0,0]=4 699 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [0,1,0,0,0,0|3,0,0]=4 700 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [0,1,0,0,0,0|3,0,0]=4 701 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [0,1,0,0,0,0|1,0,1]=3 702 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [0,1,0,0,0,0|3,0,0]=4 703 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [0,1,0,0,0,0|3,0,0]=4 704 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [0,1,0,0,0,0|3,0,0]=4 705 B5R0.1 O=C(O)C=CI MCULE-7162332129 [0,1,0,0,0,0|3,0,0]=4 706 B5R0.1 O=C(O)C=NO MCULE-2039309679 [0,1,0,0,0,0|1,0,1]=3 707 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,1,0,0,0,0|3,0,0]=4 708 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,1,0,0,0,0|3,0,0]=4 709 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,1,0,0,0,0|3,0,0]=4 710 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,1,0,0,0,0|3,0,0]=4 711 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,1,0,0,0,0|2,0,0]=3 712 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,1,0,0,0,0|2,1,0]=4 713 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,1,0,0,0,0|1,0,0]=2 714 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [0,1,0,0,0,0|2,0,0]=3 715 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [0,1,0,0,0,0|2,0,0]=3 716 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [0,1,0,0,0,0|3,0,0]=4 717 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,1,0,0,0,0|2,0,0]=3 718 B5R0.1 O=N(=O)CCO MCULE-2060841405 [0,1,0,0,0,0|3,0,0]=4 719 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [0,1,0,0,0,0|3,0,0]=4 720 B5R0.3 C#CC(=O)CC MCULE-1563732373 [0,1,0,0,0,0|3,0,0]=4 721 B5R0.3 C#CC(=O)NC MCULE-8852565705 [0,1,0,0,0,0|2,0,0]=3 722 B5R0.3 C#CC(=O)OC MCULE-5108326717 [0,1,0,0,0,0|3,0,0]=4 723 B5R0.3 C#CC(N)CO MCULE-2442851523 [0,1,0,0,0,0|2,0,1]=4 724 B5R0.3 C#CC(N)CO MCULE-3866086926 [0,1,0,0,0,0|2,0,1]=4 725 B5R0.3 C#C[C@H](N)CO MCULE-2312982984 [0,1,0,0,0,0|2,0,1]=4 726 B5R0.3 C#C[C@H](N)CO MCULE-8124038281 [0,1,0,0,0,0|2,0,1]=4 727 B5R0.3 C#C[C@H](N)CO MCULE-8753140181 [0,1,0,0,0,0|2,0,1]=4 728 B5R0.3 C#C[C@H](N)CO MCULE-9874393436 [0,1,0,0,0,0|2,0,1]=4 729 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [0,1,0,0,0,0|2,0,1]=4 730 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [0,1,0,0,0,0|3,0,0]=4 731 B5R0.3 C/N=C(\N)/SC MCULE-1114021101 [0,1,0,0,0,0|1,1,1]=4 732 B5R0.3 C/N=C(\N)/SC MCULE-4249574209 [0,1,0,0,0,0|1,1,1]=4 733 B5R0.3 C=C(C#N)CO MCULE-4330549804 [0,1,0,0,0,0|2,0,1]=4 734 B5R0.3 C=C(C=O)CC MCULE-2875154067 [0,1,0,0,0,0|3,0,0]=4 735 B5R0.3 C=C(CC)CN MCULE-2269385026 [0,1,0,0,0,0|3,0,0]=4 736 B5R0.3 C=C(CC)CN MCULE-3033447984 [0,1,0,0,0,0|3,0,0]=4 737 B5R0.3 C=C(CC)CO MCULE-8127766352 [0,1,0,0,0,0|3,0,0]=4 738 B5R0.3 C=C(CN)CN MCULE-5063132725 [0,1,0,0,0,0|3,0,0]=4 739 B5R0.3 C=C(CO)CBr MCULE-9563589949 [0,1,0,0,0,0|3,0,0]=4 740 B5R0.3 C=C(CO)CO MCULE-2682601949 [0,1,0,0,0,0|2,0,1]=4 741 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [0,1,0,0,0,0|3,0,0]=4 742 B5R0.3 C=CC(=O)CC MCULE-7277696617 [0,1,0,0,0,0|3,0,0]=4 743 B5R0.3 C=CC(=O)NC MCULE-5619481947 [0,1,0,0,0,0|2,0,0]=3 744 B5R0.3 C=CC(=O)NN MCULE-4327484127 [0,1,0,0,0,0|2,0,0]=3 745 B5R0.3 C=CC(=O)NN MCULE-4961696321 [0,1,0,0,0,0|2,0,0]=3 746 B5R0.3 C=CC(=O)NO MCULE-9528737042 [0,1,0,0,0,0|1,0,0]=2 747 B5R0.3 C=CC(=O)OC MCULE-6010665978 [0,1,0,0,0,0|3,0,0]=4 748 B5R0.3 C=CC(N)CO MCULE-2457433196 [0,1,0,0,0,0|2,0,1]=4 749 B5R0.3 C=CC(N)CO MCULE-6697949182 [0,1,0,0,0,0|2,0,1]=4 750 B5R0.3 C=CC(N)CO MCULE-7137123222 [0,1,0,0,0,0|2,0,1]=4 751 B5R0.3 C=CC(N)CO MCULE-8388687355 [0,1,0,0,0,0|2,0,1]=4 752 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [0,1,0,0,0,0|2,0,1]=4 753 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [0,1,0,0,0,0|2,0,1]=4 754 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [0,1,0,0,0,0|2,0,1]=4 755 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [0,1,0,0,0,0|2,0,1]=4 756 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [0,1,0,0,0,0|2,0,1]=4 757 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [0,1,0,0,0,0|2,0,1]=4 758 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [0,1,0,0,0,0|2,0,1]=4 759 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [0,1,0,0,0,0|2,0,1]=4 760 B5R0.3 CC(=CI)CO MCULE-8491569199 [0,1,0,0,0,0|3,0,0]=4 761 B5R0.3 CC(=CN)C=O MCULE-5507488903 [0,1,0,0,0,0|2,0,1]=4 762 B5R0.3 CC(=NO)CS MCULE-9694340512 [0,1,0,0,0,0|1,1,1]=4 763 B5R0.3 CC(CN)CO MCULE-5880795484 [0,1,0,0,0,0|2,0,1]=4 764 B5R0.3 CC(CN)CO MCULE-8083007887 [0,1,0,0,0,0|2,0,1]=4 765 B5R0.3 CC(CO)NN MCULE-3362748538 [0,1,0,0,0,0|2,0,1]=4 766 B5R0.3 CC(CO)NN MCULE-4440318216 [0,1,0,0,0,0|2,0,1]=4 767 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [0,1,0,0,0,0|2,0,1]=4 768 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [0,1,0,0,0,0|1,0,1]=3 769 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [0,1,0,0,0,0|1,0,1]=3 770 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [0,1,0,0,0,0|3,0,0]=4 771 B5R0.3 CC=C(C)C=O MCULE-9453566957 [0,1,0,0,0,0|3,0,0]=4 772 B5R0.3 CCC(=NO)C MCULE-1859652505 [0,1,0,0,0,0|2,0,1]=4 773 B5R0.3 CCC(=O)CBr MCULE-7825573294 [0,1,0,0,0,0|3,0,0]=4 774 B5R0.3 CCC(=O)CC MCULE-8236549739 [0,1,0,0,0,0|3,0,0]=4 775 B5R0.3 CCC(=O)CCl MCULE-9019890380 [0,1,0,0,0,0|3,0,0]=4 776 B5R0.3 CCC(=O)CN MCULE-1863418812 [0,1,0,0,0,0|2,0,0]=3 777 B5R0.3 CCC(=O)CN MCULE-5831164340 [0,1,0,0,0,0|2,0,0]=3 778 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,1,0,0,0,0|2,0,0]=3 779 B5R0.3 CCC(=O)NC MCULE-5612060170 [0,1,0,0,0,0|2,0,0]=3 780 B5R0.3 CCC(=O)NN MCULE-1803705917 [0,1,0,0,0,0|2,0,0]=3 781 B5R0.3 CCC(=O)NO MCULE-1033164448 [0,1,0,0,0,0|1,0,0]=2 782 B5R0.3 CCC(=O)OC MCULE-7384824725 [0,1,0,0,0,0|3,0,0]=4 783 B5R0.3 CCC(=O)SC MCULE-9712192191 [0,1,0,0,0,0|3,0,0]=4 784 B5R0.3 CCC(C)NO MCULE-1247092627 [0,1,0,0,0,0|2,0,1]=4 785 B5R0.3 CCC(C)NO MCULE-6169819668 [0,1,0,0,0,0|2,0,1]=4 786 B5R0.3 CCC(N)CO MCULE-1135809021 [0,1,0,0,0,0|2,0,1]=4 787 B5R0.3 CCC(N)CO MCULE-7588854111 [0,1,0,0,0,0|2,0,1]=4 788 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [0,1,0,0,0,0|2,0,1]=4 789 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [0,1,0,0,0,0|2,0,1]=4 790 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [0,1,0,0,0,0|2,0,1]=4 791 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [0,1,0,0,0,0|2,0,1]=4 792 B5R0.3 CNC(=N)CO MCULE-3239749882 [0,1,0,0,0,0|2,0,0]=3 793 B5R0.3 CNC(=N)NC MCULE-7703075263 [0,1,0,0,0,0|2,0,0]=3 794 B5R0.3 CNC(=N)NN MCULE-4836793349 [0,1,0,0,0,0|2,0,0]=3 795 B5R0.3 CNC(=N)NN MCULE-5998297944 [0,1,0,0,0,0|2,0,0]=3 796 B5R0.3 CNC(=O)CBr MCULE-1439209307 [0,1,0,0,0,0|2,0,0]=3 797 B5R0.3 CNC(=O)CCl MCULE-1437904095 [0,1,0,0,0,0|2,0,0]=3 798 B5R0.3 CNC(=O)CI MCULE-1687694185 [0,1,0,0,0,0|2,0,0]=3 799 B5R0.3 CNC(=O)CN MCULE-1901033297 [0,1,0,0,0,0|1,0,0]=2 800 B5R0.3 CNC(=O)CN MCULE-8532774234 [0,1,0,0,0,0|1,0,0]=2 801 B5R0.3 CNC(=O)CO MCULE-5899226107 [0,1,0,0,0,0|1,0,0]=2 802 B5R0.3 CNC(=O)CS MCULE-7032391129 [0,1,0,0,0,0|1,1,0]=3 803 B5R0.3 CNC(=O)NC MCULE-5319497155 [0,1,0,0,0,0|1,0,0]=2 804 B5R0.3 CNC(=O)NN MCULE-2093843774 [0,1,0,0,0,0|1,0,0]=2 805 B5R0.3 CNC(=O)OC MCULE-1162861376 [0,1,0,0,0,0|2,0,0]=3 806 B5R0.3 CNC(=S)NC MCULE-7998520647 [0,1,0,0,0,0|1,1,0]=3 807 B5R0.3 CNC(=S)NN MCULE-3762018607 [0,1,0,0,0,0|1,1,0]=3 808 B5R0.3 CNC(C)CN MCULE-1599162912 [0,1,0,0,0,0|2,0,1]=4 809 B5R0.3 CNC(C)CN MCULE-1637391260 [0,1,0,0,0,0|2,0,1]=4 810 B5R0.3 CNC(C)CO MCULE-3841057780 [0,1,0,0,0,0|2,0,1]=4 811 B5R0.3 CNC(C)CO MCULE-6474892275 [0,1,0,0,0,0|2,0,1]=4 812 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [0,1,0,0,0,0|2,0,1]=4 813 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [0,1,0,0,0,0|2,0,1]=4 814 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [0,1,0,0,0,0|2,0,1]=4 815 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [0,1,0,0,0,0|2,0,1]=4 816 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [0,1,0,0,0,0|2,0,1]=4 817 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [0,1,0,0,0,0|2,0,1]=4 818 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [0,1,0,0,0,0|2,0,1]=4 819 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [0,1,0,0,0,0|2,0,1]=4 820 B5R0.3 COC(=O)C#N MCULE-8762838190 [0,1,0,0,0,0|2,0,1]=4 821 B5R0.3 COC(=O)C=O MCULE-2685327079 [0,1,0,0,0,0|2,0,1]=4 822 B5R0.3 COC(=O)CBr MCULE-2684954408 [0,1,0,0,0,0|3,0,0]=4 823 B5R0.3 COC(=O)CCl MCULE-5886832940 [0,1,0,0,0,0|3,0,0]=4 824 B5R0.3 COC(=O)CF MCULE-4367430175 [0,1,0,0,0,0|3,0,0]=4 825 B5R0.3 COC(=O)CI MCULE-9545584156 [0,1,0,0,0,0|3,0,0]=4 826 B5R0.3 COC(=O)CN MCULE-7462799100 [0,1,0,0,0,0|2,0,0]=3 827 B5R0.3 COC(=O)CN MCULE-8887061469 [0,1,0,0,0,0|2,0,0]=3 828 B5R0.3 COC(=O)CO MCULE-8734582763 [0,1,0,0,0,0|2,0,0]=3 829 B5R0.3 COC(=O)CS MCULE-3020830180 [0,1,0,0,0,0|2,1,0]=4 830 B5R0.3 COC(=O)NN MCULE-2637794839 [0,1,0,0,0,0|2,0,0]=3 831 B5R0.3 COC(=O)OC MCULE-7488725621 [0,1,0,0,0,0|3,0,0]=4 832 B5R0.3 COC(=O)SCl MCULE-1018411491 [0,1,0,0,0,0|3,0,0]=4 833 B5R0.3 COC(=S)NN MCULE-8717505617 [0,1,0,0,0,0|2,0,1]=4 834 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [0,1,0,0,0,0|1,1,1]=4 835 B5R0.3 CS/C(=N\N)/N MCULE-2245524081 [0,1,0,0,0,0|1,1,1]=4 836 B5R0.3 CS/C(=N\N)/N MCULE-6241847719 [0,1,0,0,0,0|1,1,1]=4 837 B5R0.3 CSC(=NO)C MCULE-1500524467 [0,1,0,0,0,0|1,1,1]=4 838 B5R0.3 CSC(=O)SC MCULE-7167992573 [0,1,0,0,0,0|3,0,0]=4 839 B5R0.3 CSC(=S)NN MCULE-2798461411 [0,1,0,0,0,0|2,1,0]=4 840 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [0,1,0,0,0,0|2,0,1]=4 841 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [0,1,0,0,0,0|2,0,1]=4 842 B5R0.3 N#CC(N)CO MCULE-5918855868 [0,1,0,0,0,0|2,0,1]=4 843 B5R0.3 N#CC(N)CO MCULE-8439000158 [0,1,0,0,0,0|2,0,1]=4 844 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [0,1,0,0,0,0|1,0,1]=3 845 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [0,1,0,0,0,0|0,0,2]=3 846 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [0,1,0,0,0,0|1,0,1]=3 847 B5R0.3 N=C(NN)NN MCULE-6449982700 [0,1,0,0,0,0|2,0,0]=3 848 B5R0.3 N=C(NN)NN MCULE-8241596253 [0,1,0,0,0,0|2,0,0]=3 849 B5R0.3 N=C(NN)NO MCULE-6419110297 [0,1,0,0,0,0|1,0,0]=2 850 B5R0.3 NC(CO)CF MCULE-3756808200 [0,1,0,0,0,0|2,0,1]=4 851 B5R0.3 NC(CO)CF MCULE-9468719402 [0,1,0,0,0,0|2,0,1]=4 852 B5R0.3 NC(CO)CO MCULE-1559988016 [0,1,0,0,0,0|1,0,2]=4 853 B5R0.3 NC(CO)CO MCULE-4954119952 [0,1,0,0,0,0|1,0,2]=4 854 B5R0.3 NCC(=O)CN MCULE-2420991481 [0,1,0,0,0,0|2,0,0]=3 855 B5R0.3 NCC(=O)CN MCULE-8626789745 [0,1,0,0,0,0|2,0,0]=3 856 B5R0.3 NCC(=O)NN MCULE-2318099199 [0,1,0,0,0,0|1,0,0]=2 857 B5R0.3 NCC(=O)NN MCULE-3392354502 [0,1,0,0,0,0|1,0,0]=2 858 B5R0.3 NCC(=O)NO MCULE-5417617455 [0,1,0,0,0,0|0,0,0]=1 859 B5R0.3 NCC(F)CO MCULE-6156319956 [0,1,0,0,0,0|2,0,1]=4 860 B5R0.3 NCC(F)CO MCULE-7472307328 [0,1,0,0,0,0|2,0,1]=4 861 B5R0.3 NCC(O)CO MCULE-2689763818 [0,1,0,0,0,0|1,0,2]=4 862 B5R0.3 NCC(O)CO MCULE-6096620010 [0,1,0,0,0,0|1,0,2]=4 863 B5R0.3 NCC(O)CO MCULE-7307777212 [0,1,0,0,0,0|1,0,2]=4 864 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [0,1,0,0,0,0|2,0,1]=4 865 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [0,1,0,0,0,0|2,0,1]=4 866 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [0,1,0,0,0,0|2,0,1]=4 867 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [0,1,0,0,0,0|2,0,1]=4 868 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [0,1,0,0,0,0|1,0,2]=4 869 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [0,1,0,0,0,0|1,0,2]=4 870 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [0,1,0,0,0,0|1,0,2]=4 871 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [0,1,0,0,0,0|2,0,1]=4 872 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [0,1,0,0,0,0|2,0,1]=4 873 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [0,1,0,0,0,0|2,0,1]=4 874 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [0,1,0,0,0,0|2,0,1]=4 875 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [0,1,0,0,0,0|2,0,1]=4 876 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [0,1,0,0,0,0|1,0,2]=4 877 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [0,1,0,0,0,0|1,0,2]=4 878 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [0,1,0,0,0,0|1,0,2]=4 879 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [0,1,0,0,0,0|1,0,2]=4 880 B5R0.3 NNC(=O)CCl MCULE-2158347473 [0,1,0,0,0,0|2,0,0]=3 881 B5R0.3 NNC(=O)CCl MCULE-9762553206 [0,1,0,0,0,0|2,0,0]=3 882 B5R0.3 NNC(=O)CO MCULE-8443636349 [0,1,0,0,0,0|1,0,0]=2 883 B5R0.3 NNC(=O)CS MCULE-4913925166 [0,1,0,0,0,0|1,1,0]=3 884 B5R0.3 NNC(=O)NN MCULE-8522412568 [0,1,0,0,0,0|1,0,0]=2 885 B5R0.3 NNC(=O)NO MCULE-7106168898 [0,1,0,0,0,0|0,0,0]=1 886 B5R0.3 NNC(=S)NN MCULE-1599893212 [0,1,0,0,0,0|1,1,0]=3 887 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [0,1,0,0,0,0|2,0,1]=4 888 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [0,1,0,0,0,0|2,0,1]=4 889 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [0,1,0,0,0,0|2,0,1]=4 890 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [0,1,0,0,0,0|2,0,1]=4 891 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [0,1,0,0,0,0|2,0,1]=4 892 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [0,1,0,0,0,0|2,0,1]=4 893 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [0,1,0,0,0,0|2,0,1]=4 894 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [0,1,0,0,0,0|2,0,1]=4 895 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [0,1,0,0,0,0|3,0,0]=4 896 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [0,1,0,0,0,0|3,0,0]=4 897 B5R0.3 O=C(CF)CF MCULE-8790300272 [0,1,0,0,0,0|3,0,0]=4 898 B5R0.3 O=C(CO)CO MCULE-7188810449 [0,1,0,0,0,0|2,0,0]=3 899 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [0,1,0,0,0,0|2,0,0]=3 900 B5R0.3 O=CC(=C[O-])F MCULE-8068241665 [0,1,0,0,0,0|2,0,1]=4 901 B5R0.3 O=CC(=C[O-])F MCULE-9099292239 [0,1,0,0,0,0|2,0,1]=4 902 B5R0.3 O=CC(=O)CO MCULE-7273475675 [0,1,0,0,0,0|2,0,0]=3 903 B5R0.3 O=CC(O)CO MCULE-9581740191 [0,1,0,0,0,0|2,0,1]=4 904 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [0,1,0,0,0,0|2,0,1]=4 905 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [0,1,0,0,0,0|2,0,1]=4 906 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [0,1,0,0,0,0|2,0,1]=4 907 B5R0.3 [NH2+]=C(NN)NN MCULE-1481511174 [0,1,0,0,0,0|2,0,0]=3 908 B5R0.4 C=CS(=O)(=O)N MCULE-7350624756 [0,1,0,0,0,0|3,0,0]=4 909 B5R0.4 CC(C)(C)NO MCULE-4676405280 [0,1,0,0,0,0|2,0,1]=4 910 B5R0.4 CC(C)(C)NO MCULE-6482556352 [0,1,0,0,0,0|2,0,1]=4 911 B5R0.4 CC(C)(C)NO MCULE-7368313644 [0,1,0,0,0,0|2,0,1]=4 912 B5R0.4 CC(C)(N)CO MCULE-4072416202 [0,1,0,0,0,0|2,0,1]=4 913 B5R0.4 CC(C)(N)CO MCULE-4209651459 [0,1,0,0,0,0|2,0,1]=4 914 B5R0.4 CC(C)(N)CO MCULE-6047079177 [0,1,0,0,0,0|2,0,1]=4 915 B5R0.4 CCS(=O)(=O)N MCULE-4542844597 [0,1,0,0,0,0|3,0,0]=4 916 B5R0.4 CNS(=O)(=O)C MCULE-1909911079 [0,1,0,0,0,0|3,0,0]=4 917 B5R0.4 CNS(=O)(=O)Cl MCULE-5463631100 [0,1,0,0,0,0|3,0,0]=4 918 B5R0.4 CNS(=O)(=O)F MCULE-3217845236 [0,1,0,0,0,0|3,0,0]=4 919 B5R0.4 CNS(=O)(=O)N MCULE-9326041427 [0,1,0,0,0,0|2,0,0]=3 920 B5R0.4 CNS(=O)(=O)O MCULE-7257326709 [0,1,0,0,0,0|3,0,0]=4 921 B5R0.4 CS(=O)(=O)NN MCULE-9882253848 [0,1,0,0,0,0|3,0,0]=4 922 B5R0.4 CS(=O)(=O)NO MCULE-6576734604 [0,1,0,0,0,0|2,0,0]=3 923 B5R0.4 NS(=O)(=O)CBr MCULE-2367502977 [0,1,0,0,0,0|3,0,0]=4 924 B5R0.4 NS(=O)(=O)CCl MCULE-5790884246 [0,1,0,0,0,0|3,0,0]=4 925 B5R0.4 NS(=O)(=O)CF MCULE-4836991088 [0,1,0,0,0,0|3,0,0]=4 926 B5R0.4 O=P(O)(O)CO MCULE-9997097349 [0,1,0,0,0,0|3,0,0]=4 927 B5R0.4 O=S(=O)(O)CO MCULE-9647441782 [0,1,0,0,0,0|3,0,0]=4 928 B5R0.4 O=S(=O)([O-])CO MCULE-5488503909 [0,1,0,0,0,0|3,0,0]=4 929 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,1,0,0,0,0|3,0,0]=4 930 B5R0.5 C=C(C)B(O)O MCULE-1381151629 [0,1,0,0,0,0|3,0,0]=4 931 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,1,0,0,0,0|3,0,0]=4 932 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,1,0,0,0,0|3,0,0]=4 933 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,1,0,0,0,0|2,0,0]=3 934 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,1,0,0,0,0|3,0,0]=4 935 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,1,0,0,0,0|3,0,0]=4 936 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,1,0,0,0,0|3,0,0]=4 937 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,1,0,0,0,0|3,0,0]=4 938 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,1,0,0,0,0|3,0,0]=4 939 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,1,0,0,0,0|3,0,0]=4 940 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [0,1,0,0,0,0|3,0,0]=4 941 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,1,0,0,0,0|3,0,0]=4 942 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [0,1,0,0,0,0|3,0,0]=4 943 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,1,0,0,0,0|2,0,1]=4 944 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,1,0,0,0,0|2,0,1]=4 945 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,1,0,0,0,0|1,0,1]=3 946 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,1,0,0,0,0|2,0,0]=3 947 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,1,0,0,0,0|2,0,1]=4 948 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,1,0,0,0,0|2,0,1]=4 949 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,1,0,0,0,0|2,0,1]=4 950 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,1,0,0,0,0|1,1,1]=4 951 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,1,0,0,0,0|3,0,0]=4 952 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,1,0,0,0,0|3,0,0]=4 953 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,1,0,0,0,0|3,0,0]=4 954 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,1,0,0,0,0|3,0,0]=4 955 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,1,0,0,0,0|3,0,0]=4 956 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,1,0,0,0,0|3,0,0]=4 957 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,1,0,0,0,0|2,0,0]=3 958 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,1,0,0,0,0|2,1,0]=4 959 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [0,1,0,0,0,0|3,0,0]=4 960 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [0,1,0,0,0,0|3,0,0]=4 961 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,1,0,0,0,0|2,0,0]=3 962 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,1,0,0,0,0|2,0,0]=3 963 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,1,0,0,0,0|3,0,0]=4 964 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,1,0,0,0,0|3,0,0]=4 965 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,1,0,0,0,0|3,0,0]=4 966 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,1,0,0,0,0|3,0,0]=4 967 B5R0.5 CC(=S)N(C)C MCULE-6797990305 [0,1,0,0,0,0|2,1,0]=4 968 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [0,1,0,0,0,0|3,0,0]=4 969 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [0,1,0,0,0,0|3,0,0]=4 970 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,1,0,0,0,0|2,0,0]=3 971 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,1,0,0,0,0|3,0,0]=4 972 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,1,0,0,0,0|3,0,0]=4 973 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [0,1,0,0,0,0|3,0,0]=4 974 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [0,1,0,0,0,0|3,0,0]=4 975 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [0,1,0,0,0,0|3,0,0]=4 976 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [0,1,0,0,0,0|3,0,0]=4 977 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,1,0,0,0,0|2,0,0]=3 978 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,1,0,0,0,0|3,0,0]=4 979 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [0,1,0,0,0,0|3,0,0]=4 980 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [0,1,0,0,0,0|2,1,0]=4 981 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [0,1,0,0,0,0|3,0,0]=4 982 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [0,1,0,0,0,0|3,0,0]=4 983 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [0,1,0,0,0,0|3,0,0]=4 984 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [0,1,0,0,0,0|3,0,0]=4 985 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,1,0,0,0,0|2,0,0]=3 986 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,1,0,0,0,0|3,0,0]=4 987 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,1,0,0,0,0|3,0,0]=4 988 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,1,0,0,0,0|3,0,0]=4 989 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,1,0,0,0,0|2,0,0]=3 990 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,1,0,0,0,0|2,0,0]=3 991 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,1,0,0,0,0|2,0,0]=3 992 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,1,0,0,0,0|2,0,0]=3 993 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,1,0,0,0,0|2,0,0]=3 994 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,1,0,0,0,0|2,0,0]=3 995 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,1,0,0,0,0|2,0,0]=3 996 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,1,0,0,0,0|2,0,1]=4 997 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,1,0,0,0,0|2,0,1]=4 998 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,1,0,0,0,0|2,0,1]=4 999 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,1,0,0,0,0|2,0,1]=4 1000 B5R0.5 CC(N)C(C)O MCULE-3512899672 [0,1,0,0,0,0|2,0,1]=4 1001 B5R0.5 CC(N)C(C)O MCULE-6286987696 [0,1,0,0,0,0|2,0,1]=4 1002 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,1,0,0,0,0|2,0,0]=3 1003 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,1,0,0,0,0|2,0,0]=3 1004 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,1,0,0,0,0|1,0,0]=2 1005 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,1,0,0,0,0|1,0,0]=2 1006 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,1,0,0,0,0|2,0,0]=3 1007 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,1,0,0,0,0|2,0,0]=3 1008 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,1,0,0,0,0|2,0,0]=3 1009 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,1,0,0,0,0|2,0,0]=3 1010 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,1,0,0,0,0|2,0,0]=3 1011 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,1,0,0,0,0|1,1,0]=3 1012 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,1,0,0,0,0|2,1,0]=4 1013 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [0,1,0,0,0,0|2,0,0]=3 1014 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [0,1,0,0,0,0|2,0,0]=3 1015 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [0,1,0,0,0,0|2,0,0]=3 1016 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [0,1,0,0,0,0|2,0,0]=3 1017 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [0,1,0,0,0,0|2,0,0]=3 1018 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,1,0,0,0,0|1,0,0]=2 1019 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,1,0,0,0,0|2,0,0]=3 1020 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [0,1,0,0,0,0|2,0,0]=3 1021 B5R0.5 CN(C)C(=S)Cl MCULE-5232126468 [0,1,0,0,0,0|2,1,0]=4 1022 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [0,1,0,0,0,0|1,1,0]=3 1023 B5R0.5 CN(C)C(=S)S MCULE-4296425055 [0,1,0,0,0,0|2,1,0]=4 1024 B5R0.5 CN(C)C(=S)S MCULE-5159570847 [0,1,0,0,0,0|2,1,0]=4 1025 B5R0.5 CN(C)C(=S)[S-] MCULE-6390941151 [0,1,0,0,0,0|2,1,0]=4 1026 B5R0.5 CN(C)C(=S)[S-] MCULE-7709633048 [0,1,0,0,0,0|2,1,0]=4 1027 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,1,0,0,0,0|1,0,0]=2 1028 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [0,1,0,0,0,0|1,1,0]=3 1029 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,1,0,0,0,0|3,0,0]=4 1030 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,1,0,0,0,0|3,0,0]=4 1031 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [0,1,0,0,0,0|3,0,0]=4 1032 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,1,0,0,0,0|3,0,0]=4 1033 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,1,0,0,0,0|3,0,0]=4 1034 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,1,0,0,0,0|2,0,0]=3 1035 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,1,0,0,0,0|2,0,0]=3 1036 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,1,0,0,0,0|2,0,0]=3 1037 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,1,0,0,0,0|2,0,0]=3 1038 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,1,0,0,0,0|2,0,0]=3 1039 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,1,0,0,0,0|2,0,1]=4 1040 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,1,0,0,0,0|2,0,1]=4 1041 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [0,1,0,0,0,0|2,0,1]=4 1042 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [0,1,0,0,0,0|2,0,1]=4 1043 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [0,1,0,0,0,0|2,0,1]=4 1044 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [0,1,0,0,0,0|2,0,1]=4 1045 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [0,1,0,0,0,0|2,0,1]=4 1046 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,1,0,0,0,0|2,0,0]=3 1047 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,1,0,0,0,0|2,0,0]=3 1048 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,1,0,0,0,0|2,0,0]=3 1049 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,1,0,0,0,0|2,0,0]=3 1050 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,1,0,0,0,0|1,0,0]=2 1051 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,1,0,0,0,0|1,0,0]=2 1052 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,1,0,0,0,0|2,0,0]=3 1053 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,1,0,0,0,0|2,0,0]=3 1054 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,1,0,0,0,0|2,0,0]=3 1055 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,1,0,0,0,0|2,0,0]=3 1056 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,1,0,0,0,0|2,0,0]=3 1057 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [0,1,0,0,0,0|3,0,0]=4 1058 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,1,0,0,0,0|3,0,0]=4 1059 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,1,0,0,0,0|3,0,0]=4 1060 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,1,0,0,0,0|3,0,0]=4 1061 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,1,0,0,0,0|3,0,0]=4 1062 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,1,0,0,0,0|2,0,0]=3 1063 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,1,0,0,0,0|2,0,0]=3 1064 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,1,0,0,0,0|2,0,0]=3 1065 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,1,0,0,0,0|2,0,0]=3 1066 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,1,0,0,0,0|2,0,0]=3 1067 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,1,0,0,0,0|2,0,0]=3 1068 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,1,0,0,0,0|2,0,0]=3 1069 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,1,0,0,0,0|2,0,0]=3 1070 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,1,0,0,0,0|2,0,0]=3 1071 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,1,0,0,0,0|2,0,1]=4 1072 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,1,0,0,0,0|2,0,1]=4 1073 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,1,0,0,0,0|2,0,1]=4 1074 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,1,0,0,0,0|2,0,1]=4 1075 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [0,1,0,0,0,0|2,0,1]=4 1076 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [0,1,0,0,0,0|2,0,1]=4 1077 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [0,1,0,0,0,0|2,0,1]=4 1078 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [0,1,0,0,0,0|2,0,1]=4 1079 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [0,1,0,0,0,0|2,0,1]=4 1080 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [0,1,0,0,0,0|2,0,1]=4 1081 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,1,0,0,0,0|1,0,0]=2 1082 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,1,0,0,0,0|2,0,0]=3 1083 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,1,0,0,0,0|2,0,0]=3 1084 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,1,0,0,0,0|2,0,0]=3 1085 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,1,0,0,0,0|2,0,0]=3 1086 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,1,0,0,0,0|2,0,0]=3 1087 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,1,0,0,0,0|2,0,0]=3 1088 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,1,0,0,0,0|2,0,0]=3 1089 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [0,1,0,0,0,0|2,0,1]=4 1090 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [0,1,0,0,0,0|2,0,1]=4 1091 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [0,1,0,0,0,0|2,0,1]=4 1092 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [0,1,0,0,0,0|2,0,1]=4 1093 B5R0.5 N=C(N)N(N)N MCULE-6225047839 [0,1,0,0,0,0|2,0,0]=3 1094 B5R0.5 N=C(N)N(N)N MCULE-8407507713 [0,1,0,0,0,0|2,0,0]=3 1095 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [0,1,0,0,0,0|2,0,0]=3 1096 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,1,0,0,0,0|1,0,1]=3 1097 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,1,0,0,0,0|1,0,0]=2 1098 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,1,0,0,0,0|1,0,1]=3 1099 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,1,0,0,0,0|1,0,1]=3 1100 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [0,1,0,0,0,0|2,0,0]=3 1101 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [0,1,0,0,0,0|2,0,0]=3 1102 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [0,1,0,0,0,0|2,0,0]=3 1103 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [0,1,0,0,0,0|2,0,0]=3 1104 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [0,1,0,0,0,0|2,0,0]=3 1105 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [0,1,0,0,0,0|2,0,0]=3 1106 B5R0.5 NC(=S)C(=S)N MCULE-3109255800 [0,1,0,0,0,0|1,2,0]=4 1107 B5R0.5 NC(=S)C(F)F MCULE-3511485569 [0,1,0,0,0,0|2,1,0]=4 1108 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,1,0,0,0,0|2,0,0]=3 1109 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,1,0,0,0,0|2,0,1]=4 1110 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,1,0,0,0,0|2,0,1]=4 1111 B5R0.5 O=C(Cl)C(Cl)Cl MCULE-2883143305 [0,1,0,0,0,0|3,0,0]=4 1112 B5R0.5 O=C(Cl)C(F)Cl MCULE-1579940277 [0,1,0,0,0,0|3,0,0]=4 1113 B5R0.5 O=C(Cl)C(F)F MCULE-6700400389 [0,1,0,0,0,0|3,0,0]=4 1114 B5R0.5 O=C(F)C(F)F MCULE-6722746663 [0,1,0,0,0,0|3,0,0]=4 1115 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,1,0,0,0,0|2,0,0]=3 1116 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,1,0,0,0,0|2,0,0]=3 1117 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,1,0,0,0,0|2,0,0]=3 1118 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,1,0,0,0,0|2,0,0]=3 1119 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,1,0,0,0,0|2,0,0]=3 1120 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,1,0,0,0,0|2,0,0]=3 1121 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,1,0,0,0,0|2,0,0]=3 1122 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,1,0,0,0,0|2,0,0]=3 1123 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,1,0,0,0,0|2,0,0]=3 1124 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,1,0,0,0,0|2,0,0]=3 1125 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,1,0,0,0,0|2,0,0]=3 1126 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,1,0,0,0,0|3,0,0]=4 1127 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,1,0,0,0,0|3,0,0]=4 1128 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,1,0,0,0,0|3,0,0]=4 1129 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,1,0,0,0,0|3,0,0]=4 1130 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,1,0,0,0,0|3,0,0]=4 1131 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,1,0,0,0,0|3,0,0]=4 1132 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,1,0,0,0,0|3,0,0]=4 1133 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,1,0,0,0,0|2,0,0]=3 1134 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,1,0,0,0,0|3,0,0]=4 1135 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,1,0,0,0,0|3,0,0]=4 1136 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,1,0,0,0,0|2,0,1]=4 1137 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,1,0,0,0,0|2,0,1]=4 1138 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,1,0,0,0,0|2,0,1]=4 1139 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,1,0,0,0,0|2,0,1]=4 1140 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,1,0,0,0,0|2,0,1]=4 1141 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,1,0,0,0,0|2,0,1]=4 1142 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,1,0,0,0,0|2,0,1]=4 1143 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,1,0,0,0,0|2,0,1]=4 1144 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [0,1,0,0,0,0|3,0,0]=4 1145 B5R0.5 O=C([O-])C(F)Cl MCULE-6121365584 [0,1,0,0,0,0|3,0,0]=4 1146 B5R0.5 O=C([O-])C(F)I MCULE-5263796115 [0,1,0,0,0,0|3,0,0]=4 1147 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,1,0,0,0,0|1,0,0]=2 1148 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1016641329 [0,1,0,0,0,0|2,0,1]=4 1149 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1067760866 [0,1,0,0,0,0|2,0,1]=4 1150 B5R1.2 C=C1COC1 MCULE-1822645869 [0,0,0,1,0,0|3,0,0]=4 1151 B5R1.2 NC1COC1 MCULE-3457998413 [0,0,0,1,0,0|2,0,1]=4 1152 B5R1.2 NC1COC1 MCULE-8439862131 [0,0,0,1,0,0|2,0,1]=4 1153 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,0,0,1,0,0|3,0,0]=4 1154 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,0,0,1,0,0|2,0,0]=3 1155 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,0,0,1,0,0|3,0,0]=4 1156 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,0,0,1,0,0|3,0,0]=4 1157 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,0,0,1,0,0|3,0,0]=4 1158 B5R1.2 O=C1COC1 MCULE-6847248632 [0,0,0,1,0,0|2,0,0]=3 1159 B5R1.2 O=C1CSC1 MCULE-4436071261 [0,0,0,1,0,0|2,1,0]=4 1160 B5R1.4 NC1CC1O MCULE-2677451452 [0,0,0,1,0,0|2,0,1]=4 1161 B5R1.4 NC1CC1O MCULE-2909581707 [0,0,0,1,0,0|2,0,1]=4 1162 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [0,0,0,1,0,0|2,0,1]=4 1163 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [0,0,0,1,0,0|2,0,1]=4 1164 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [0,0,0,1,0,0|2,0,1]=4 1165 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [0,0,0,1,0,0|2,0,1]=4 1166 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [0,0,0,1,0,0|2,0,1]=4 1167 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [0,0,0,1,0,0|2,0,1]=4 1168 B2R0.1 C=C=C MCULE-2040872097 [2,0,0,0,0,0|2,0,0]=4 1169 B2R0.1 C=CBr MCULE-1481946455 [2,0,0,0,0,0|2,0,0]=4 1170 B2R0.1 C=CC MCULE-5223715076 [2,0,0,0,0,0|2,0,0]=4 1171 B2R0.1 C=CCl MCULE-9678046268 [2,0,0,0,0,0|2,0,0]=4 1172 B2R0.1 C=CI MCULE-2939062322 [2,0,0,0,0,0|2,0,0]=4 1173 B2R0.1 C=CO MCULE-8167566239 [2,0,0,0,0,0|1,0,0]=3 1174 B2R0.1 C=NN MCULE-4427606079 [2,0,0,0,0,0|1,0,1]=4 1175 B2R0.1 C=NO MCULE-1312312591 [2,0,0,0,0,0|0,0,1]=3 1176 B2R0.1 C=NO MCULE-7599902650 [2,0,0,0,0,0|0,0,1]=3 1177 B2R0.1 CC=O MCULE-6002254510 [2,0,0,0,0,0|1,0,0]=3 1178 B2R0.1 CC=O MCULE-6800925955 [2,0,0,0,0,0|1,0,0]=3 1179 B2R0.1 CCN MCULE-1774065508 [2,0,0,0,0,0|1,0,1]=4 1180 B2R0.1 CCN MCULE-5999638632 [2,0,0,0,0,0|1,0,1]=4 1181 B2R0.1 CCN MCULE-6233823811 [2,0,0,0,0,0|1,0,1]=4 1182 B2R0.1 CCN MCULE-6444557204 [2,0,0,0,0,0|1,0,1]=4 1183 B2R0.1 CCO MCULE-8818474596 [2,0,0,0,0,0|1,0,1]=4 1184 B2R0.1 CNC MCULE-2809467532 [2,0,0,0,0,0|1,0,1]=4 1185 B2R0.1 CNN MCULE-6163742401 [2,0,0,0,0,0|1,0,0]=3 1186 B2R0.1 CNN MCULE-7217348217 [2,0,0,0,0,0|1,0,0]=3 1187 B2R0.1 CNN MCULE-9086529736 [2,0,0,0,0,0|1,0,0]=3 1188 B2R0.1 CNO MCULE-5310203084 [2,0,0,0,0,0|0,0,1]=3 1189 B2R0.1 CNO MCULE-7072005453 [2,0,0,0,0,0|0,0,1]=3 1190 B2R0.1 CON MCULE-1068458971 [2,0,0,0,0,0|2,0,0]=4 1191 B2R0.1 CON MCULE-8687558307 [2,0,0,0,0,0|2,0,0]=4 1192 B2R0.1 N#CN MCULE-9026610515 [2,0,0,0,0,0|0,0,2]=4 1193 B2R0.1 N#CO MCULE-7459250889 [2,0,0,0,0,0|0,0,2]=4 1194 B2R0.1 N=C=O MCULE-6805056266 [2,0,0,0,0,0|0,0,2]=4 1195 B2R0.1 N=CN MCULE-3312866825 [2,0,0,0,0,0|0,0,1]=3 1196 B2R0.1 N=CN MCULE-4184922761 [2,0,0,0,0,0|0,0,1]=3 1197 B2R0.1 N=CN MCULE-8637660949 [2,0,0,0,0,0|0,0,1]=3 1198 B2R0.1 NC=O MCULE-1633954643 [2,0,0,0,0,0|0,0,0]=2 1199 B2R0.1 NC=O MCULE-4202420620 [2,0,0,0,0,0|0,0,0]=2 1200 B2R0.1 NC=S MCULE-9004645073 [2,0,0,0,0,0|0,1,0]=3 1201 B2R0.1 NC=[NH2+] MCULE-1491590547 [2,0,0,0,0,0|0,0,1]=3 1202 B2R0.1 NCN MCULE-1911584441 [2,0,0,0,0,0|0,0,1]=3 1203 B2R0.1 NCN MCULE-5032116024 [2,0,0,0,0,0|0,0,1]=3 1204 B2R0.1 O=BO MCULE-1752281859 [2,0,0,0,0,0|1,0,0]=3 1205 B2R0.1 O=CO MCULE-7175589186 [2,0,0,0,0,0|0,0,0]=2 1206 B2R0.1 O=C[O-] MCULE-2970986504 [2,0,0,0,0,0|0,0,1]=3 1207 B2R0.1 O=C[O-] MCULE-3867870864 [2,0,0,0,0,0|0,0,1]=3 1208 B2R0.1 O=C[O-] MCULE-4029930501 [2,0,0,0,0,0|0,0,1]=3 1209 B2R0.1 O=NO MCULE-6927518919 [2,0,0,0,0,0|0,0,1]=3 1210 B2R0.1 O=N[O-] MCULE-3257981536 [2,0,0,0,0,0|0,0,2]=4 1211 B2R0.1 O=N[O-] MCULE-7337131268 [2,0,0,0,0,0|0,0,2]=4 1212 B2R0.1 O=PO MCULE-5287418544 [2,0,0,0,0,0|0,1,0]=3 1213 B2R0.1 O=P[O-] MCULE-3840413517 [2,0,0,0,0,0|0,1,1]=4 1214 B2R0.1 O=P[O-] MCULE-8243944513 [2,0,0,0,0,0|0,1,1]=4 1215 B2R0.1 O=S=O MCULE-5418662043 [2,0,0,0,0,0|1,0,1]=4 1216 B2R0.1 O=[Ge]=O MCULE-2024233522 [2,0,0,0,0,0|0,1,1]=4 1217 B2R0.1 O=[N+]=O MCULE-8164521024 [2,0,0,0,0,0|0,0,2]=4 1218 B2R0.1 O=[Se]=O MCULE-7119785212 [2,0,0,0,0,0|1,0,1]=4 1219 B2R0.1 O=[Si]=O MCULE-2341844083 [2,0,0,0,0,0|0,1,1]=4 1220 B2R0.1 O=[Te]=O MCULE-4837785402 [2,0,0,0,0,0|1,0,1]=4 1221 B2R0.1 OBO MCULE-8455181481 [2,0,0,0,0,0|1,0,1]=4 1222 B2R0.1 OPO MCULE-1346196691 [2,0,0,0,0,0|0,1,1]=4 1223 B2R0.1 OPO MCULE-5673098193 [2,0,0,0,0,0|0,1,1]=4 1224 B2R0.1 [O-]PO MCULE-2811495269 [2,0,0,0,0,0|0,1,1]=4 1225 B2R0.1 [O-]PO MCULE-6918966731 [2,0,0,0,0,0|0,1,1]=4 1226 B4R0.2 C#CCNO MCULE-7210831528 [1,1,0,0,0,0|1,0,1]=4 1227 B4R0.2 C#CCNO MCULE-8082854360 [1,1,0,0,0,0|1,0,1]=4 1228 B4R0.2 C/C=C/C=O MCULE-9924705308 [1,1,0,0,0,0|2,0,0]=4 1229 B4R0.2 C/C=C/CO MCULE-2383161163 [1,1,0,0,0,0|2,0,0]=4 1230 B4R0.2 C/C=C/OC MCULE-3906920304 [1,1,0,0,0,0|2,0,0]=4 1231 B4R0.2 C/C=C\CO MCULE-5924662327 [1,1,0,0,0,0|2,0,0]=4 1232 B4R0.2 C=C=CCN MCULE-5700871644 [1,1,0,0,0,0|2,0,0]=4 1233 B4R0.2 C=C=CCN MCULE-9120483529 [1,1,0,0,0,0|2,0,0]=4 1234 B4R0.2 C=C=CCO MCULE-5424851896 [1,1,0,0,0,0|2,0,0]=4 1235 B4R0.2 C=CCCO MCULE-4582400839 [1,1,0,0,0,0|2,0,0]=4 1236 B4R0.2 C=CCNC MCULE-3335720336 [1,1,0,0,0,0|2,0,0]=4 1237 B4R0.2 C=CCNN MCULE-2550690274 [1,1,0,0,0,0|2,0,0]=4 1238 B4R0.2 C=CCNN MCULE-3554567414 [1,1,0,0,0,0|2,0,0]=4 1239 B4R0.2 C=CCNN MCULE-8741523989 [1,1,0,0,0,0|2,0,0]=4 1240 B4R0.2 C=CCOC MCULE-3321225771 [1,1,0,0,0,0|2,0,0]=4 1241 B4R0.2 C=CCON MCULE-2094787759 [1,1,0,0,0,0|2,0,0]=4 1242 B4R0.2 C=CCON MCULE-6222602533 [1,1,0,0,0,0|2,0,0]=4 1243 B4R0.2 C=CNC=O MCULE-8403928899 [1,1,0,0,0,0|1,0,0]=3 1244 B4R0.2 CC#CC=O MCULE-9270622693 [1,1,0,0,0,0|2,0,0]=4 1245 B4R0.2 CC=CC=O MCULE-2497362981 [1,1,0,0,0,0|2,0,0]=4 1246 B4R0.2 CC=CCO MCULE-7490725844 [1,1,0,0,0,0|2,0,0]=4 1247 B4R0.2 CC=COC MCULE-6712403535 [1,1,0,0,0,0|2,0,0]=4 1248 B4R0.2 CCC=NO MCULE-9457280654 [1,1,0,0,0,0|1,0,1]=4 1249 B4R0.2 CCCC=O MCULE-8530391347 [1,1,0,0,0,0|2,0,0]=4 1250 B4R0.2 CCNC=O MCULE-9309926274 [1,1,0,0,0,0|1,0,0]=3 1251 B4R0.2 CCNOC MCULE-4797714235 [1,1,0,0,0,0|1,0,1]=4 1252 B4R0.2 CCNOC MCULE-6486167423 [1,1,0,0,0,0|1,0,1]=4 1253 B4R0.2 CCOC=O MCULE-6245072161 [1,1,0,0,0,0|2,0,0]=4 1254 B4R0.2 CNCCN MCULE-2881688448 [1,1,0,0,0,0|1,0,1]=4 1255 B4R0.2 CNCCN MCULE-7199403269 [1,1,0,0,0,0|1,0,1]=4 1256 B4R0.2 CNCCO MCULE-7051900771 [1,1,0,0,0,0|1,0,1]=4 1257 B4R0.2 CNCCO MCULE-7934732981 [1,1,0,0,0,0|1,0,1]=4 1258 B4R0.2 COCC=O MCULE-9427361019 [1,1,0,0,0,0|1,0,0]=3 1259 B4R0.2 COCCN MCULE-5051556646 [1,1,0,0,0,0|1,0,1]=4 1260 B4R0.2 COCCN MCULE-7519068386 [1,1,0,0,0,0|1,0,1]=4 1261 B4R0.2 COCON MCULE-6032854331 [1,1,0,0,0,0|2,0,0]=4 1262 B4R0.2 N#CCNO MCULE-6808474875 [1,1,0,0,0,0|0,0,2]=4 1263 B4R0.2 N/C=C/C=O MCULE-2444951625 [1,1,0,0,0,0|1,0,1]=4 1264 B4R0.2 NC=CC=O MCULE-4070918342 [1,1,0,0,0,0|1,0,1]=4 1265 B4R0.2 NCCCO MCULE-2851278356 [1,1,0,0,0,0|1,0,1]=4 1266 B4R0.2 NCCCO MCULE-9698089092 [1,1,0,0,0,0|1,0,1]=4 1267 B4R0.2 NCCON MCULE-3613980902 [1,1,0,0,0,0|1,0,1]=4 1268 B4R0.2 NCCON MCULE-7030217952 [1,1,0,0,0,0|1,0,1]=4 1269 B4R0.2 NCCON MCULE-8959912781 [1,1,0,0,0,0|1,0,1]=4 1270 B4R0.2 NNCCO MCULE-1290652744 [1,1,0,0,0,0|1,0,1]=4 1271 B4R0.2 NOCCO MCULE-2545004367 [1,1,0,0,0,0|1,0,1]=4 1272 B4R0.2 O=CCCBr MCULE-4107157458 [1,1,0,0,0,0|2,0,0]=4 1273 B4R0.2 O=CCCCl MCULE-5863929313 [1,1,0,0,0,0|2,0,0]=4 1274 B4R0.2 O=CCCI MCULE-9771140462 [1,1,0,0,0,0|2,0,0]=4 1275 B4R0.2 O=CCCO MCULE-1685289763 [1,1,0,0,0,0|1,0,0]=3 1276 B4R0.2 O=CNC=O MCULE-3098379420 [1,1,0,0,0,0|0,0,1]=3 1277 B4R0.2 O=COC=O MCULE-6311384332 [1,1,0,0,0,0|1,0,1]=4 1278 B4R0.2 O=C[N-]C=O MCULE-4923470284 [1,1,0,0,0,0|0,0,2]=4 1279 B4R0.2 OC=CCCl MCULE-4750991393 [1,1,0,0,0,0|2,0,0]=4 1280 B4R0.2 OCC=CBr MCULE-4636104289 [1,1,0,0,0,0|2,0,0]=4 1281 B4R0.2 OCC=CCl MCULE-2110127594 [1,1,0,0,0,0|2,0,0]=4 1282 B4R0.2 ON=CCCl MCULE-5736695742 [1,1,0,0,0,0|1,0,1]=4 1283 B4R0.3 CP(=O)(C)O MCULE-6213882061 [1,1,0,0,0,0|2,0,0]=4 1284 B4R0.3 CP(=O)(O)O MCULE-1998702544 [1,1,0,0,0,0|2,0,0]=4 1285 B4R0.3 CS(=O)(=O)N MCULE-3286513976 [1,1,0,0,0,0|1,0,1]=4 1286 B4R0.3 CS(=O)(=O)O MCULE-3859614034 [1,1,0,0,0,0|2,0,0]=4 1287 B4R0.3 CS(=O)(=O)O MCULE-6572487779 [1,1,0,0,0,0|2,0,0]=4 1288 B4R0.3 CS(=O)(=O)O MCULE-9395657013 [1,1,0,0,0,0|2,0,0]=4 1289 B4R0.3 C[As](=O)(C)O MCULE-8596669108 [1,1,0,0,0,0|2,0,0]=4 1290 B4R0.3 C[As](=O)(O)O MCULE-7801777602 [1,1,0,0,0,0|2,0,0]=4 1291 B4R0.3 NS(=O)(=O)Cl MCULE-9522746996 [1,1,0,0,0,0|1,0,1]=4 1292 B4R0.3 NS(=O)(=O)N MCULE-9292781774 [1,1,0,0,0,0|1,0,0]=3 1293 B4R0.3 NS(=O)(=O)O MCULE-8047713803 [1,1,0,0,0,0|1,0,0]=3 1294 B4R0.3 NS(=O)(=O)[O-] MCULE-2055121515 [1,1,0,0,0,0|1,0,1]=4 1295 B4R0.3 NS(=O)(=O)[O-] MCULE-5233442923 [1,1,0,0,0,0|1,0,1]=4 1296 B4R0.3 NS(=O)(=O)[O-] MCULE-6545653507 [1,1,0,0,0,0|1,0,1]=4 1297 B4R0.3 O=Cl(=O)(=O)O MCULE-7968387576 [1,1,0,0,0,0|2,0,0]=4 1298 B4R0.3 O=I(=O)(=O)O MCULE-4762970437 [1,1,0,0,0,0|2,0,0]=4 1299 B4R0.3 O=P(O)(F)F MCULE-8498033289 [1,1,0,0,0,0|2,0,0]=4 1300 B4R0.3 O=P(O)(O)F MCULE-9464702088 [1,1,0,0,0,0|2,0,0]=4 1301 B4R0.3 O=P(O)(O)O MCULE-2880016508 [1,1,0,0,0,0|2,0,0]=4 1302 B4R0.3 O=P(O)(O)O MCULE-2910704584 [1,1,0,0,0,0|2,0,0]=4 1303 B4R0.3 O=P(O)(O)O MCULE-3461094329 [1,1,0,0,0,0|2,0,0]=4 1304 B4R0.3 O=P(O)(O)O MCULE-4434176486 [1,1,0,0,0,0|2,0,0]=4 1305 B4R0.3 O=P(O)(O)O MCULE-5726619687 [1,1,0,0,0,0|2,0,0]=4 1306 B4R0.3 O=P(O)(O)O MCULE-6927660115 [1,1,0,0,0,0|2,0,0]=4 1307 B4R0.3 O=P([O-])([O-])O MCULE-9042759446 [1,1,0,0,0,0|2,0,0]=4 1308 B4R0.3 O=S(=O)(O)Cl MCULE-8480162218 [1,1,0,0,0,0|2,0,0]=4 1309 B4R0.3 O=S(=O)(O)F MCULE-6611614216 [1,1,0,0,0,0|2,0,0]=4 1310 B4R0.3 O=S(=O)(O)O MCULE-1504889908 [1,1,0,0,0,0|2,0,0]=4 1311 B4R0.3 O=S(=O)(O)O MCULE-1840532235 [1,1,0,0,0,0|2,0,0]=4 1312 B4R0.3 O=S(=O)(O)O MCULE-3157443351 [1,1,0,0,0,0|2,0,0]=4 1313 B4R0.3 O=S(=O)(O)O MCULE-3551431822 [1,1,0,0,0,0|2,0,0]=4 1314 B4R0.3 O=S(=O)(O)O MCULE-3633072096 [1,1,0,0,0,0|2,0,0]=4 1315 B4R0.3 O=S(=O)(O)O MCULE-7421846921 [1,1,0,0,0,0|2,0,0]=4 1316 B4R0.3 O=S(=O)(O)O MCULE-8481710376 [1,1,0,0,0,0|2,0,0]=4 1317 B4R0.3 O=S(=O)(O)O MCULE-8508402601 [1,1,0,0,0,0|2,0,0]=4 1318 B4R0.3 O=S(=O)(O)O MCULE-8725108786 [1,1,0,0,0,0|2,0,0]=4 1319 B4R0.3 O=S(=O)(O)O MCULE-8745821726 [1,1,0,0,0,0|2,0,0]=4 1320 B4R0.3 O=S(=O)(O)O MCULE-9074359856 [1,1,0,0,0,0|2,0,0]=4 1321 B4R0.3 O=S(=O)(O)S MCULE-1871677467 [1,1,0,0,0,0|2,0,0]=4 1322 B4R0.3 O=S(=O)([O-])O MCULE-5828166967 [1,1,0,0,0,0|2,0,0]=4 1323 B4R0.3 O=[Se](=O)(O)O MCULE-3321111440 [1,1,0,0,0,0|2,0,0]=4 1324 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [0,2,0,0,0,0|2,0,0]=4 1325 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,2,0,0,0,0|2,0,0]=4 1326 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,2,0,0,0,0|2,0,0]=4 1327 B6R0.1 C=CC(=O)NCO MCULE-3627112877 [0,2,0,0,0,0|1,0,0]=3 1328 B6R0.1 C=CC/C(=N/O)/N MCULE-6681864760 [0,2,0,0,0,0|1,0,1]=4 1329 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [0,2,0,0,0,0|2,0,0]=4 1330 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [0,2,0,0,0,0|2,0,0]=4 1331 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [0,2,0,0,0,0|2,0,0]=4 1332 B6R0.1 CC#CC(=O)NN MCULE-2475728417 [0,2,0,0,0,0|2,0,0]=4 1333 B6R0.1 CC(=CN=O)NO MCULE-1780424821 [0,2,0,0,0,0|1,0,0]=3 1334 B6R0.1 CCC(=O)CNC MCULE-3030105640 [0,2,0,0,0,0|2,0,0]=4 1335 B6R0.1 CCC(=O)CNC MCULE-6945295017 [0,2,0,0,0,0|2,0,0]=4 1336 B6R0.1 CCC(=O)COC MCULE-1087802011 [0,2,0,0,0,0|2,0,0]=4 1337 B6R0.1 CCC(=O)NOC MCULE-4440074406 [0,2,0,0,0,0|1,0,0]=3 1338 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,2,0,0,0,0|1,0,1]=4 1339 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,2,0,0,0,0|1,0,1]=4 1340 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,2,0,0,0,0|2,0,0]=4 1341 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,2,0,0,0,0|2,0,0]=4 1342 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,2,0,0,0,0|2,0,0]=4 1343 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,2,0,0,0,0|2,0,0]=4 1344 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,2,0,0,0,0|2,0,0]=4 1345 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,2,0,0,0,0|1,0,0]=3 1346 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,2,0,0,0,0|2,0,0]=4 1347 B6R0.1 CCNC(=O)CC MCULE-8820594723 [0,2,0,0,0,0|2,0,0]=4 1348 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [0,2,0,0,0,0|2,0,0]=4 1349 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,2,0,0,0,0|1,0,0]=3 1350 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,2,0,0,0,0|1,0,0]=3 1351 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,2,0,0,0,0|1,0,0]=3 1352 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,2,0,0,0,0|1,0,0]=3 1353 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,2,0,0,0,0|1,0,0]=3 1354 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,2,0,0,0,0|0,0,0]=2 1355 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,2,0,0,0,0|2,0,0]=4 1356 B6R0.1 CCNC(=S)NN MCULE-9599210899 [0,2,0,0,0,0|1,1,0]=4 1357 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,2,0,0,0,0|2,0,0]=4 1358 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,2,0,0,0,0|2,0,0]=4 1359 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,2,0,0,0,0|2,0,0]=4 1360 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,2,0,0,0,0|2,0,0]=4 1361 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,2,0,0,0,0|2,0,0]=4 1362 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,2,0,0,0,0|1,0,0]=3 1363 B6R0.1 CNC(=N)NC#N MCULE-3777179961 [0,2,0,0,0,0|2,0,0]=4 1364 B6R0.1 CNC(=O)CC#N MCULE-2970000161 [0,2,0,0,0,0|1,0,1]=4 1365 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [0,2,0,0,0,0|2,0,0]=4 1366 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [0,2,0,0,0,0|2,0,0]=4 1367 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,2,0,0,0,0|1,0,0]=3 1368 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,2,0,0,0,0|1,0,0]=3 1369 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,2,0,0,0,0|1,0,0]=3 1370 B6R0.1 CNC(=O)CCS MCULE-2385806944 [0,2,0,0,0,0|1,1,0]=4 1371 B6R0.1 CNC(=O)CON MCULE-6451598359 [0,2,0,0,0,0|1,0,0]=3 1372 B6R0.1 CNC(=O)CON MCULE-8743298594 [0,2,0,0,0,0|1,0,0]=3 1373 B6R0.1 CNC(=S)NC#N MCULE-2638134518 [0,2,0,0,0,0|1,1,0]=4 1374 B6R0.1 CNC(=S)NCO MCULE-2829573844 [0,2,0,0,0,0|0,1,0]=3 1375 B6R0.1 CNCC(=O)NC MCULE-4579550577 [0,2,0,0,0,0|1,0,0]=3 1376 B6R0.1 CNCC(=O)NC MCULE-7833395637 [0,2,0,0,0,0|1,0,0]=3 1377 B6R0.1 CNCC(=O)NN MCULE-8639164023 [0,2,0,0,0,0|1,0,0]=3 1378 B6R0.1 CNCC(=O)OC MCULE-1667683926 [0,2,0,0,0,0|2,0,0]=4 1379 B6R0.1 CNCC(=O)OC MCULE-5530863658 [0,2,0,0,0,0|2,0,0]=4 1380 B6R0.1 CNNC(=O)OC MCULE-4763095719 [0,2,0,0,0,0|2,0,0]=4 1381 B6R0.1 COC(=O)C=CN MCULE-4685220707 [0,2,0,0,0,0|2,0,0]=4 1382 B6R0.1 COC(=O)CCN MCULE-2306060188 [0,2,0,0,0,0|2,0,0]=4 1383 B6R0.1 COC(=O)CCN MCULE-8245275833 [0,2,0,0,0,0|2,0,0]=4 1384 B6R0.1 COC(=O)CCO MCULE-8538834260 [0,2,0,0,0,0|2,0,0]=4 1385 B6R0.1 COC(=O)CNN MCULE-3287579794 [0,2,0,0,0,0|2,0,0]=4 1386 B6R0.1 COC(=O)CNN MCULE-3838874166 [0,2,0,0,0,0|2,0,0]=4 1387 B6R0.1 COC(=O)CON MCULE-4799038238 [0,2,0,0,0,0|2,0,0]=4 1388 B6R0.1 COC(=O)NC=O MCULE-9852632340 [0,2,0,0,0,0|1,0,1]=4 1389 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [0,2,0,0,0,0|0,0,2]=4 1390 B6R0.1 COCC(=O)CCl MCULE-7542636020 [0,2,0,0,0,0|2,0,0]=4 1391 B6R0.1 COCC(=O)NN MCULE-4127487886 [0,2,0,0,0,0|1,0,0]=3 1392 B6R0.1 COCC(=O)OC MCULE-8337685268 [0,2,0,0,0,0|2,0,0]=4 1393 B6R0.1 CONC(=O)OC MCULE-9304532248 [0,2,0,0,0,0|1,0,0]=3 1394 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [0,2,0,0,0,0|0,1,1]=4 1395 B6R0.1 CSCC(=O)NN MCULE-8151954663 [0,2,0,0,0,0|1,1,0]=4 1396 B6R0.1 N#CC/C(=N\O)/N MCULE-7517473784 [0,2,0,0,0,0|1,0,1]=4 1397 B6R0.1 N#CCC(=O)NN MCULE-9203133961 [0,2,0,0,0,0|1,0,1]=4 1398 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [0,2,0,0,0,0|0,0,2]=4 1399 B6R0.1 N=C(CCCl)NO MCULE-1713601074 [0,2,0,0,0,0|1,0,1]=4 1400 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [0,2,0,0,0,0|1,0,1]=4 1401 B6R0.1 NCCC(=O)CN MCULE-3906468943 [0,2,0,0,0,0|2,0,0]=4 1402 B6R0.1 NCCC(=O)CN MCULE-9593243702 [0,2,0,0,0,0|2,0,0]=4 1403 B6R0.1 NNC(=O)CCO MCULE-6184351353 [0,2,0,0,0,0|1,0,0]=3 1404 B6R0.1 NNC(=O)CCS MCULE-9322963076 [0,2,0,0,0,0|1,1,0]=4 1405 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [0,2,0,0,0,0|1,0,0]=3 1406 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [0,2,0,0,0,0|1,0,0]=3 1407 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,2,0,0,0,0|2,0,0]=4 1408 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,2,0,0,0,0|2,0,0]=4 1409 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,2,0,0,0,0|2,0,0]=4 1410 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,2,0,0,0,0|1,0,1]=4 1411 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,2,0,0,0,0|2,0,0]=4 1412 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,2,0,0,0,0|2,0,0]=4 1413 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,2,0,0,0,0|2,0,0]=4 1414 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,2,0,0,0,0|1,0,1]=4 1415 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,2,0,0,0,0|1,0,1]=4 1416 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,2,0,0,0,0|0,0,1]=3 1417 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,2,0,0,0,0|0,1,1]=4 1418 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,2,0,0,0,0|2,0,0]=4 1419 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,2,0,0,0,0|2,0,0]=4 1420 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,2,0,0,0,0|2,0,0]=4 1421 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,2,0,0,0,0|2,0,0]=4 1422 B6R0.2 CC(C)NC(=N)N MCULE-4913172476 [0,2,0,0,0,0|2,0,0]=4 1423 B6R0.2 CC(C)NC(=N)N MCULE-4959976198 [0,2,0,0,0,0|2,0,0]=4 1424 B6R0.2 CC(C)NC(=N)N MCULE-5602505573 [0,2,0,0,0,0|2,0,0]=4 1425 B6R0.2 CC(C)NC(=N)N MCULE-8448870710 [0,2,0,0,0,0|2,0,0]=4 1426 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,2,0,0,0,0|1,0,0]=3 1427 B6R0.2 CC(C)NC(=S)N MCULE-9243939729 [0,2,0,0,0,0|1,1,0]=4 1428 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,2,0,0,0,0|2,0,0]=4 1429 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,2,0,0,0,0|2,0,0]=4 1430 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,2,0,0,0,0|2,0,0]=4 1431 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,2,0,0,0,0|1,0,0]=3 1432 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,2,0,0,0,0|2,0,0]=4 1433 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,2,0,0,0,0|2,0,0]=4 1434 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,2,0,0,0,0|2,0,0]=4 1435 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,2,0,0,0,0|2,0,0]=4 1436 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,2,0,0,0,0|2,0,0]=4 1437 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,2,0,0,0,0|2,0,0]=4 1438 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,2,0,0,0,0|1,0,0]=3 1439 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,2,0,0,0,0|2,0,0]=4 1440 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,2,0,0,0,0|2,0,0]=4 1441 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,2,0,0,0,0|2,0,0]=4 1442 B6R0.2 CN(C)CC(=S)N MCULE-3863789639 [0,2,0,0,0,0|1,1,0]=4 1443 B6R0.2 CN(C)CC(=S)N MCULE-8756068308 [0,2,0,0,0,0|1,1,0]=4 1444 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,2,0,0,0,0|1,0,0]=3 1445 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,2,0,0,0,0|2,0,0]=4 1446 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,2,0,0,0,0|2,0,0]=4 1447 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,2,0,0,0,0|2,0,0]=4 1448 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,2,0,0,0,0|2,0,0]=4 1449 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,2,0,0,0,0|2,0,0]=4 1450 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,2,0,0,0,0|2,0,0]=4 1451 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,2,0,0,0,0|2,0,0]=4 1452 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,2,0,0,0,0|2,0,0]=4 1453 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,2,0,0,0,0|2,0,0]=4 1454 B6R0.2 N=C(N)NC(=N)N MCULE-3279959199 [0,2,0,0,0,0|2,0,0]=4 1455 B6R0.2 N=C(N)NC(=N)N MCULE-5410461738 [0,2,0,0,0,0|2,0,0]=4 1456 B6R0.2 N=C(N)NC(=N)N MCULE-7433325616 [0,2,0,0,0,0|2,0,0]=4 1457 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,2,0,0,0,0|1,0,0]=3 1458 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,2,0,0,0,0|1,0,0]=3 1459 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,2,0,0,0,0|1,0,0]=3 1460 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,2,0,0,0,0|1,0,0]=3 1461 B6R0.2 N=C(N)NC(=S)N MCULE-9372871737 [0,2,0,0,0,0|1,1,0]=4 1462 B6R0.2 N=C(N)NN(=O)=O MCULE-1616315638 [0,2,0,0,0,0|1,0,1]=4 1463 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,2,0,0,0,0|2,0,0]=4 1464 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,2,0,0,0,0|1,0,1]=4 1465 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,2,0,0,0,0|1,0,0]=3 1466 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,2,0,0,0,0|1,1,0]=4 1467 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,2,0,0,0,0|0,0,2]=4 1468 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,2,0,0,0,0|0,0,2]=4 1469 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,2,0,0,0,0|0,0,1]=3 1470 B6R0.2 NC(=S)NC(=S)N MCULE-5725707827 [0,2,0,0,0,0|0,2,0]=4 1471 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,2,0,0,0,0|2,0,0]=4 1472 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,2,0,0,0,0|2,0,0]=4 1473 B6R0.2 [NH2+]=C(N)NC(=S)N MCULE-8048711850 [0,2,0,0,0,0|1,1,0]=4 1474 B6R0.2 [NH3+]C(=S)NC(=N)N MCULE-7154221603 [0,2,0,0,0,0|1,1,0]=4 1475 B6R0.3 C#CC(=O)N(C)C MCULE-6032188951 [0,2,0,0,0,0|2,0,0]=4 1476 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,2,0,0,0,0|2,0,0]=4 1477 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,2,0,0,0,0|2,0,0]=4 1478 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,2,0,0,0,0|1,0,0]=3 1479 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,2,0,0,0,0|1,0,0]=3 1480 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,2,0,0,0,0|2,0,0]=4 1481 B6R0.3 C=C(C)C(=O)NC MCULE-9515227181 [0,2,0,0,0,0|2,0,0]=4 1482 B6R0.3 C=C(C)C(=O)NN MCULE-5114453960 [0,2,0,0,0,0|2,0,0]=4 1483 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,2,0,0,0,0|2,0,0]=4 1484 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,2,0,0,0,0|2,0,0]=4 1485 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,2,0,0,0,0|2,0,0]=4 1486 B6R0.3 C=CC(=O)N(C)C MCULE-3105693382 [0,2,0,0,0,0|2,0,0]=4 1487 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,2,0,0,0,0|2,0,0]=4 1488 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [0,2,0,0,0,0|2,0,0]=4 1489 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,2,0,0,0,0|1,0,1]=4 1490 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [0,2,0,0,0,0|1,0,1]=4 1491 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [0,2,0,0,0,0|1,0,1]=4 1492 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [0,2,0,0,0,0|1,0,1]=4 1493 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [0,2,0,0,0,0|1,0,1]=4 1494 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,2,0,0,0,0|2,0,0]=4 1495 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,2,0,0,0,0|1,0,1]=4 1496 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,2,0,0,0,0|1,0,1]=4 1497 B6R0.3 CC(C#N)C(=O)N MCULE-2138676966 [0,2,0,0,0,0|2,0,0]=4 1498 B6R0.3 CC(C)/C(=N/O)/N MCULE-4474697690 [0,2,0,0,0,0|1,0,1]=4 1499 B6R0.3 CC(C)C(=N)NO MCULE-9934498877 [0,2,0,0,0,0|1,0,1]=4 1500 B6R0.3 CC(C)C(=O)CN MCULE-6091425997 [0,2,0,0,0,0|2,0,0]=4 1501 B6R0.3 CC(C)C(=O)CN MCULE-7368122425 [0,2,0,0,0,0|2,0,0]=4 1502 B6R0.3 CC(C)C(=O)CO MCULE-8746789873 [0,2,0,0,0,0|2,0,0]=4 1503 B6R0.3 CC(C)C(=O)NN MCULE-1262854337 [0,2,0,0,0,0|2,0,0]=4 1504 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,2,0,0,0,0|2,0,0]=4 1505 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,2,0,0,0,0|2,0,0]=4 1506 B6R0.3 CC(O)/C(=N/O)/N MCULE-6135321689 [0,2,0,0,0,0|0,0,2]=4 1507 B6R0.3 CC(O)C(=O)NN MCULE-4510079670 [0,2,0,0,0,0|1,0,0]=3 1508 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,2,0,0,0,0|2,0,0]=4 1509 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,2,0,0,0,0|2,0,0]=4 1510 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,2,0,0,0,0|2,0,0]=4 1511 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,2,0,0,0,0|2,0,0]=4 1512 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,2,0,0,0,0|2,0,0]=4 1513 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,2,0,0,0,0|2,0,0]=4 1514 B6R0.3 CCC(=O)C(C)N MCULE-5434634349 [0,2,0,0,0,0|2,0,0]=4 1515 B6R0.3 CCC(=O)C(C)N MCULE-8408562669 [0,2,0,0,0,0|2,0,0]=4 1516 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [0,2,0,0,0,0|2,0,0]=4 1517 B6R0.3 CCC(=O)N(C)C MCULE-1734001200 [0,2,0,0,0,0|2,0,0]=4 1518 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,2,0,0,0,0|2,0,0]=4 1519 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,2,0,0,0,0|2,0,0]=4 1520 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,2,0,0,0,0|2,0,0]=4 1521 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,2,0,0,0,0|2,0,0]=4 1522 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,2,0,0,0,0|2,0,0]=4 1523 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,2,0,0,0,0|2,0,0]=4 1524 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,2,0,0,0,0|2,0,0]=4 1525 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,2,0,0,0,0|1,0,0]=3 1526 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,2,0,0,0,0|2,0,0]=4 1527 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,2,0,0,0,0|2,0,0]=4 1528 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,2,0,0,0,0|2,0,0]=4 1529 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,2,0,0,0,0|2,0,0]=4 1530 B6R0.3 CCN(C)C(=N)N MCULE-1941465818 [0,2,0,0,0,0|2,0,0]=4 1531 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,2,0,0,0,0|2,0,0]=4 1532 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,2,0,0,0,0|2,0,0]=4 1533 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,2,0,0,0,0|1,0,0]=3 1534 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,2,0,0,0,0|1,0,0]=3 1535 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,2,0,0,0,0|2,0,0]=4 1536 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,2,0,0,0,0|2,0,0]=4 1537 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,2,0,0,0,0|2,0,0]=4 1538 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,2,0,0,0,0|2,0,0]=4 1539 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,2,0,0,0,0|2,0,0]=4 1540 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,2,0,0,0,0|2,0,0]=4 1541 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,2,0,0,0,0|2,0,0]=4 1542 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,2,0,0,0,0|2,0,0]=4 1543 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,2,0,0,0,0|2,0,0]=4 1544 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,2,0,0,0,0|2,0,0]=4 1545 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,2,0,0,0,0|2,0,0]=4 1546 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,2,0,0,0,0|2,0,0]=4 1547 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,2,0,0,0,0|2,0,0]=4 1548 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,2,0,0,0,0|2,0,0]=4 1549 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,2,0,0,0,0|2,0,0]=4 1550 B6R0.3 CN(C)/C(=N/O)/N MCULE-3547286812 [0,2,0,0,0,0|1,0,1]=4 1551 B6R0.3 CN(C)/C(=N\O)/N MCULE-4834817007 [0,2,0,0,0,0|1,0,1]=4 1552 B6R0.3 CN(C)C(=O)CBr MCULE-8318415267 [0,2,0,0,0,0|2,0,0]=4 1553 B6R0.3 CN(C)C(=O)CCl MCULE-7153641042 [0,2,0,0,0,0|2,0,0]=4 1554 B6R0.3 CN(C)C(=O)CI MCULE-4437173749 [0,2,0,0,0,0|2,0,0]=4 1555 B6R0.3 CN(C)C(=O)CN MCULE-2195526798 [0,2,0,0,0,0|1,0,0]=3 1556 B6R0.3 CN(C)C(=O)CN MCULE-4999236521 [0,2,0,0,0,0|1,0,0]=3 1557 B6R0.3 CN(C)C(=O)CN MCULE-7091962350 [0,2,0,0,0,0|1,0,0]=3 1558 B6R0.3 CN(C)C(=O)CO MCULE-8470749078 [0,2,0,0,0,0|1,0,0]=3 1559 B6R0.3 CN(C)C(=O)CS MCULE-2815493030 [0,2,0,0,0,0|1,1,0]=4 1560 B6R0.3 CN(C)C(=O)NN MCULE-1456206497 [0,2,0,0,0,0|1,0,0]=3 1561 B6R0.3 CN(C)C(=O)NO MCULE-7406409363 [0,2,0,0,0,0|0,0,0]=2 1562 B6R0.3 CN(C)C(=S)NN MCULE-8404262806 [0,2,0,0,0,0|1,1,0]=4 1563 B6R0.3 CN(N)C(=O)NO MCULE-9258932516 [0,2,0,0,0,0|0,0,0]=2 1564 B6R0.3 CN(N=O)C(=O)N MCULE-7683488639 [0,2,0,0,0,0|0,0,1]=3 1565 B6R0.3 CN(O)C(=O)CN MCULE-6904940710 [0,2,0,0,0,0|0,0,0]=2 1566 B6R0.3 CN(O)C(=O)CN MCULE-7352809793 [0,2,0,0,0,0|0,0,0]=2 1567 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,2,0,0,0,0|1,0,0]=3 1568 B6R0.3 CNC(=O)C(C)Br MCULE-8111267694 [0,2,0,0,0,0|2,0,0]=4 1569 B6R0.3 CNC(=O)C(C)C MCULE-9646758802 [0,2,0,0,0,0|2,0,0]=4 1570 B6R0.3 CNC(=O)C(C)Cl MCULE-6524637023 [0,2,0,0,0,0|2,0,0]=4 1571 B6R0.3 CNC(=O)C(C)N MCULE-2283707986 [0,2,0,0,0,0|1,0,0]=3 1572 B6R0.3 CNC(=O)C(C)N MCULE-2976078375 [0,2,0,0,0,0|1,0,0]=3 1573 B6R0.3 CNC(=O)C(C)N MCULE-5544490576 [0,2,0,0,0,0|1,0,0]=3 1574 B6R0.3 CNC(=O)C(C)N MCULE-8815196909 [0,2,0,0,0,0|1,0,0]=3 1575 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,2,0,0,0,0|1,0,0]=3 1576 B6R0.3 CNC(=O)C(F)Br MCULE-5286609999 [0,2,0,0,0,0|2,0,0]=4 1577 B6R0.3 CNC(=O)C(F)Cl MCULE-4826706725 [0,2,0,0,0,0|2,0,0]=4 1578 B6R0.3 CNC(=O)C(F)I MCULE-3976975586 [0,2,0,0,0,0|2,0,0]=4 1579 B6R0.3 CNC(=O)N(C)C MCULE-3799320827 [0,2,0,0,0,0|1,0,0]=3 1580 B6R0.3 CNC(=O)[C@@H](C)N MCULE-4498032248 [0,2,0,0,0,0|1,0,0]=3 1581 B6R0.3 CNC(=O)[C@@H](C)N MCULE-6909082129 [0,2,0,0,0,0|1,0,0]=3 1582 B6R0.3 CNC(=O)[C@@H](C)N MCULE-7642558844 [0,2,0,0,0,0|1,0,0]=3 1583 B6R0.3 CNC(=O)[C@@H](C)N MCULE-8543898121 [0,2,0,0,0,0|1,0,0]=3 1584 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,2,0,0,0,0|1,0,0]=3 1585 B6R0.3 CNC(=O)[C@H](C)N MCULE-5297375743 [0,2,0,0,0,0|1,0,0]=3 1586 B6R0.3 CNC(=O)[C@H](C)N MCULE-6807150828 [0,2,0,0,0,0|1,0,0]=3 1587 B6R0.3 CNC(=O)[C@H](C)N MCULE-8365508630 [0,2,0,0,0,0|1,0,0]=3 1588 B6R0.3 CNC(=O)[C@H](C)N MCULE-9773818316 [0,2,0,0,0,0|1,0,0]=3 1589 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,2,0,0,0,0|1,0,0]=3 1590 B6R0.3 CNC(=S)N(C)C MCULE-5004489808 [0,2,0,0,0,0|1,1,0]=4 1591 B6R0.3 CNC(=S)N(C)N MCULE-5065441902 [0,2,0,0,0,0|1,1,0]=4 1592 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,2,0,0,0,0|1,0,0]=3 1593 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,2,0,0,0,0|1,0,0]=3 1594 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,2,0,0,0,0|2,0,0]=4 1595 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,2,0,0,0,0|2,0,0]=4 1596 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,2,0,0,0,0|2,0,0]=4 1597 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,2,0,0,0,0|1,0,0]=3 1598 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,2,0,0,0,0|2,0,0]=4 1599 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,2,0,0,0,0|2,0,0]=4 1600 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,2,0,0,0,0|2,0,0]=4 1601 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,2,0,0,0,0|2,0,0]=4 1602 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,2,0,0,0,0|2,0,0]=4 1603 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,2,0,0,0,0|2,0,0]=4 1604 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,2,0,0,0,0|2,0,0]=4 1605 B6R0.3 COC(=O)C(=N)N MCULE-3129647301 [0,2,0,0,0,0|2,0,0]=4 1606 B6R0.3 COC(=O)C(=N)N MCULE-4942451868 [0,2,0,0,0,0|2,0,0]=4 1607 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [0,2,0,0,0,0|2,0,0]=4 1608 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [0,2,0,0,0,0|2,0,0]=4 1609 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,2,0,0,0,0|2,0,0]=4 1610 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [0,2,0,0,0,0|2,0,0]=4 1611 B6R0.3 COC(=O)C(=S)N MCULE-8900860523 [0,2,0,0,0,0|1,1,0]=4 1612 B6R0.3 COC(=O)C(C)N MCULE-6823731158 [0,2,0,0,0,0|2,0,0]=4 1613 B6R0.3 COC(=O)C(C)N MCULE-7003387212 [0,2,0,0,0,0|2,0,0]=4 1614 B6R0.3 COC(=O)C(C)N MCULE-8331503444 [0,2,0,0,0,0|2,0,0]=4 1615 B6R0.3 COC(=O)C(C)N MCULE-8860467123 [0,2,0,0,0,0|2,0,0]=4 1616 B6R0.3 COC(=O)C(C)O MCULE-7040827393 [0,2,0,0,0,0|2,0,0]=4 1617 B6R0.3 COC(=O)C(C)O MCULE-7872489483 [0,2,0,0,0,0|2,0,0]=4 1618 B6R0.3 COC(=O)N(C)C MCULE-7772743169 [0,2,0,0,0,0|2,0,0]=4 1619 B6R0.3 COC(=O)N(C)N MCULE-4131925989 [0,2,0,0,0,0|2,0,0]=4 1620 B6R0.3 COC(=O)[C@@H](C)N MCULE-6142127864 [0,2,0,0,0,0|2,0,0]=4 1621 B6R0.3 COC(=O)[C@@H](C)N MCULE-6606835410 [0,2,0,0,0,0|2,0,0]=4 1622 B6R0.3 COC(=O)[C@@H](C)N MCULE-7979979694 [0,2,0,0,0,0|2,0,0]=4 1623 B6R0.3 COC(=O)[C@@H](C)N MCULE-9290287586 [0,2,0,0,0,0|2,0,0]=4 1624 B6R0.3 COC(=O)[C@@H](C)O MCULE-5441095431 [0,2,0,0,0,0|2,0,0]=4 1625 B6R0.3 COC(=O)[C@@H](C)O MCULE-6924152779 [0,2,0,0,0,0|2,0,0]=4 1626 B6R0.3 COC(=O)[C@H](C)N MCULE-1665306037 [0,2,0,0,0,0|2,0,0]=4 1627 B6R0.3 COC(=O)[C@H](C)N MCULE-2941352505 [0,2,0,0,0,0|2,0,0]=4 1628 B6R0.3 COC(=O)[C@H](C)N MCULE-5314047552 [0,2,0,0,0,0|2,0,0]=4 1629 B6R0.3 COC(=O)[C@H](C)N MCULE-7930428859 [0,2,0,0,0,0|2,0,0]=4 1630 B6R0.3 COC(=O)[C@H](C)O MCULE-2590929895 [0,2,0,0,0,0|2,0,0]=4 1631 B6R0.3 COC(=O)[C@H](C)O MCULE-3292709954 [0,2,0,0,0,0|2,0,0]=4 1632 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,2,0,0,0,0|2,0,0]=4 1633 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,2,0,0,0,0|2,0,0]=4 1634 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,2,0,0,0,0|2,0,0]=4 1635 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,2,0,0,0,0|1,0,0]=3 1636 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,2,0,0,0,0|2,0,0]=4 1637 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [0,2,0,0,0,0|1,1,0]=4 1638 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,2,0,0,0,0|1,0,0]=3 1639 B6R0.3 CON(C)C(=O)Cl MCULE-7217619495 [0,2,0,0,0,0|1,0,0]=3 1640 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,2,0,0,0,0|2,0,0]=4 1641 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,2,0,0,0,0|2,0,0]=4 1642 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,2,0,0,0,0|2,0,0]=4 1643 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,2,0,0,0,0|2,0,0]=4 1644 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,2,0,0,0,0|2,0,0]=4 1645 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,2,0,0,0,0|2,0,0]=4 1646 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,2,0,0,0,0|2,0,0]=4 1647 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,2,0,0,0,0|2,0,0]=4 1648 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,2,0,0,0,0|2,0,0]=4 1649 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,2,0,0,0,0|2,0,0]=4 1650 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,2,0,0,0,0|2,0,0]=4 1651 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,2,0,0,0,0|2,0,0]=4 1652 B6R0.3 C[C@H](N)C(=O)CCl MCULE-1387458909 [0,2,0,0,0,0|2,0,0]=4 1653 B6R0.3 C[C@H](N)C(=O)CCl MCULE-3307546885 [0,2,0,0,0,0|2,0,0]=4 1654 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,2,0,0,0,0|2,0,0]=4 1655 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,2,0,0,0,0|2,0,0]=4 1656 B6R0.3 N#CC(Br)C(=O)N MCULE-3091108124 [0,2,0,0,0,0|2,0,0]=4 1657 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [0,2,0,0,0,0|2,0,0]=4 1658 B6R0.3 N/C(=N\O)/C(Cl)Cl MCULE-7826685582 [0,2,0,0,0,0|1,0,1]=4 1659 B6R0.3 N/C(=N\O)/C(F)F MCULE-3144106869 [0,2,0,0,0,0|1,0,1]=4 1660 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,2,0,0,0,0|0,0,1]=3 1661 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,2,0,0,0,0|2,0,0]=4 1662 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,2,0,0,0,0|2,0,0]=4 1663 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,2,0,0,0,0|1,0,0]=3 1664 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,2,0,0,0,0|1,0,0]=3 1665 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,2,0,0,0,0|1,1,0]=4 1666 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,2,0,0,0,0|1,1,0]=4 1667 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,2,0,0,0,0|1,0,0]=3 1668 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,2,0,0,0,0|1,0,0]=3 1669 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,2,0,0,0,0|1,0,0]=3 1670 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,2,0,0,0,0|1,1,0]=4 1671 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,2,0,0,0,0|1,0,0]=3 1672 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,2,0,0,0,0|1,0,0]=3 1673 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,2,0,0,0,0|1,0,0]=3 1674 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,2,0,0,0,0|1,0,0]=3 1675 B6R0.3 NC(=S)/C(=N/O)/N MCULE-1544637781 [0,2,0,0,0,0|0,1,1]=4 1676 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,2,0,0,0,0|1,0,1]=4 1677 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,2,0,0,0,0|1,0,1]=4 1678 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,2,0,0,0,0|1,0,0]=3 1679 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,2,0,0,0,0|1,0,0]=3 1680 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,2,0,0,0,0|2,0,0]=4 1681 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,2,0,0,0,0|2,0,0]=4 1682 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,2,0,0,0,0|2,0,0]=4 1683 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,2,0,0,0,0|2,0,0]=4 1684 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,2,0,0,0,0|2,0,0]=4 1685 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,2,0,0,0,0|2,0,0]=4 1686 B6R0.3 NNC(=O)C(=O)N MCULE-5080628360 [0,2,0,0,0,0|1,0,0]=3 1687 B6R0.3 NNC(=O)C(F)F MCULE-4217828449 [0,2,0,0,0,0|2,0,0]=4 1688 B6R0.3 NNC(=O)C(F)F MCULE-5359326999 [0,2,0,0,0,0|2,0,0]=4 1689 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,2,0,0,0,0|1,0,1]=4 1690 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,2,0,0,0,0|1,0,1]=4 1691 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,2,0,0,0,0|1,0,1]=4 1692 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,2,0,0,0,0|1,0,1]=4 1693 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,2,0,0,0,0|1,0,1]=4 1694 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,2,0,0,0,0|1,0,1]=4 1695 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,2,0,0,0,0|2,0,0]=4 1696 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,2,0,0,0,0|2,0,0]=4 1697 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,2,0,0,0,0|2,0,0]=4 1698 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,2,0,0,0,0|2,0,0]=4 1699 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,2,0,0,0,0|2,0,0]=4 1700 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,2,0,0,0,0|2,0,0]=4 1701 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,2,0,0,0,0|2,0,0]=4 1702 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,2,0,0,0,0|2,0,0]=4 1703 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,2,0,0,0,0|2,0,0]=4 1704 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,2,0,0,0,0|2,0,0]=4 1705 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,2,0,0,0,0|2,0,0]=4 1706 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,2,0,0,0,0|2,0,0]=4 1707 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,2,0,0,0,0|2,0,0]=4 1708 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,2,0,0,0,0|2,0,0]=4 1709 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,2,0,0,0,0|2,0,0]=4 1710 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,2,0,0,0,0|2,0,0]=4 1711 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,2,0,0,0,0|2,0,0]=4 1712 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,2,0,0,0,0|2,0,0]=4 1713 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,2,0,0,0,0|2,0,0]=4 1714 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,2,0,0,0,0|2,0,0]=4 1715 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,2,0,0,0,0|1,0,0]=3 1716 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [0,2,0,0,0,0|2,0,0]=4 1717 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [0,2,0,0,0,0|2,0,0]=4 1718 B6R0.4 C#CCNC(=O)N MCULE-4499144419 [0,2,0,0,0,0|1,0,0]=3 1719 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [0,2,0,0,0,0|2,0,0]=4 1720 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,2,0,0,0,0|2,0,0]=4 1721 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [0,2,0,0,0,0|1,0,0]=3 1722 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,2,0,0,0,0|2,0,0]=4 1723 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [0,2,0,0,0,0|2,0,0]=4 1724 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [0,2,0,0,0,0|1,0,0]=3 1725 B6R0.4 C=CCNC(=S)N MCULE-4099442157 [0,2,0,0,0,0|1,1,0]=4 1726 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,2,0,0,0,0|2,0,0]=4 1727 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,2,0,0,0,0|2,0,0]=4 1728 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,2,0,0,0,0|2,0,0]=4 1729 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [0,2,0,0,0,0|2,0,0]=4 1730 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,2,0,0,0,0|2,0,0]=4 1731 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,2,0,0,0,0|2,0,0]=4 1732 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,2,0,0,0,0|1,0,0]=3 1733 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,2,0,0,0,0|1,1,0]=4 1734 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,2,0,0,0,0|2,0,0]=4 1735 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [0,2,0,0,0,0|1,0,0]=3 1736 B6R0.4 CC=NNC(=S)N MCULE-3128372277 [0,2,0,0,0,0|1,1,0]=4 1737 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,2,0,0,0,0|2,0,0]=4 1738 B6R0.4 CCCNC(=N)N MCULE-6381843991 [0,2,0,0,0,0|2,0,0]=4 1739 B6R0.4 CCCNC(=N)N MCULE-8286774592 [0,2,0,0,0,0|2,0,0]=4 1740 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,2,0,0,0,0|2,0,0]=4 1741 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [0,2,0,0,0,0|2,0,0]=4 1742 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,2,0,0,0,0|1,0,0]=3 1743 B6R0.4 CCCNC(=S)N MCULE-3142756488 [0,2,0,0,0,0|1,1,0]=4 1744 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,2,0,0,0,0|2,0,0]=4 1745 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,2,0,0,0,0|2,0,0]=4 1746 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,2,0,0,0,0|2,0,0]=4 1747 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,2,0,0,0,0|1,0,0]=3 1748 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,2,0,0,0,0|1,0,0]=3 1749 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,2,0,0,0,0|2,0,0]=4 1750 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,2,0,0,0,0|2,0,0]=4 1751 B6R0.4 CCOCC(=N)N MCULE-3232806707 [0,2,0,0,0,0|2,0,0]=4 1752 B6R0.4 CCOCC(=N)N MCULE-4996987536 [0,2,0,0,0,0|2,0,0]=4 1753 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,2,0,0,0,0|2,0,0]=4 1754 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,2,0,0,0,0|2,0,0]=4 1755 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,2,0,0,0,0|2,0,0]=4 1756 B6R0.4 CCOCC(=S)N MCULE-7064672670 [0,2,0,0,0,0|1,1,0]=4 1757 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,2,0,0,0,0|1,0,0]=3 1758 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,2,0,0,0,0|1,0,0]=3 1759 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,2,0,0,0,0|2,0,0]=4 1760 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,2,0,0,0,0|2,0,0]=4 1761 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [0,2,0,0,0,0|2,0,0]=4 1762 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [0,2,0,0,0,0|2,0,0]=4 1763 B6R0.4 COC=CC(=O)C MCULE-4868833764 [0,2,0,0,0,0|2,0,0]=4 1764 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [0,2,0,0,0,0|2,0,0]=4 1765 B6R0.4 COC=CC(=O)O MCULE-4252899122 [0,2,0,0,0,0|2,0,0]=4 1766 B6R0.4 COCCC(=N)N MCULE-8118559492 [0,2,0,0,0,0|2,0,0]=4 1767 B6R0.4 COCCC(=N)N MCULE-9000138086 [0,2,0,0,0,0|2,0,0]=4 1768 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,2,0,0,0,0|2,0,0]=4 1769 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,2,0,0,0,0|2,0,0]=4 1770 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,2,0,0,0,0|1,0,0]=3 1771 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,2,0,0,0,0|2,0,0]=4 1772 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,2,0,0,0,0|0,0,0]=2 1773 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,2,0,0,0,0|2,0,0]=4 1774 B6R0.4 CON=CC(=O)O MCULE-6800819509 [0,2,0,0,0,0|1,0,1]=4 1775 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,2,0,0,0,0|1,1,0]=4 1776 B6R0.4 N#CCNC(=O)N MCULE-9927791118 [0,2,0,0,0,0|1,0,0]=3 1777 B6R0.4 N#N=NCC(=O)N MCULE-8839477322 [0,2,0,0,0,0|1,0,1]=4 1778 B6R0.4 N/N=C/NC(=O)N MCULE-6272806279 [0,2,0,0,0,0|1,0,0]=3 1779 B6R0.4 N/N=C/NC(=O)N MCULE-7518775080 [0,2,0,0,0,0|1,0,0]=3 1780 B6R0.4 N/N=C/NC(=S)N MCULE-4559471947 [0,2,0,0,0,0|1,1,0]=4 1781 B6R0.4 N=C(N)NCCO MCULE-5114367892 [0,2,0,0,0,0|1,0,0]=3 1782 B6R0.4 N=C(N)NCCO MCULE-6389092248 [0,2,0,0,0,0|1,0,0]=3 1783 B6R0.4 N=C(N)NCCS MCULE-1108122235 [0,2,0,0,0,0|1,1,0]=4 1784 B6R0.4 N=C(N)NCCS MCULE-1842583721 [0,2,0,0,0,0|1,1,0]=4 1785 B6R0.4 N=C(N)NCCS MCULE-4497722042 [0,2,0,0,0,0|1,1,0]=4 1786 B6R0.4 N=C(N)NCCS MCULE-6123443321 [0,2,0,0,0,0|1,1,0]=4 1787 B6R0.4 N=C(N)SCCO MCULE-5563309692 [0,2,0,0,0,0|2,0,0]=4 1788 B6R0.4 N=C(N)SCCO MCULE-5671847690 [0,2,0,0,0,0|2,0,0]=4 1789 B6R0.4 NC(=NCCO)N MCULE-5043697998 [0,2,0,0,0,0|1,0,1]=4 1790 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,2,0,0,0,0|2,0,0]=4 1791 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,2,0,0,0,0|1,0,0]=3 1792 B6R0.4 NC(=O)CN=C=S MCULE-1111706944 [0,2,0,0,0,0|0,1,1]=4 1793 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,2,0,0,0,0|1,0,0]=3 1794 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,2,0,0,0,0|1,0,0]=3 1795 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,2,0,0,0,0|0,0,0]=2 1796 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,2,0,0,0,0|2,0,0]=4 1797 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,2,0,0,0,0|1,0,0]=3 1798 B6R0.4 NC(=S)CCCO MCULE-8951145487 [0,2,0,0,0,0|1,1,0]=4 1799 B6R0.4 NC(=S)NCCO MCULE-9343742573 [0,2,0,0,0,0|0,1,0]=3 1800 B6R0.4 NC(=S)NNC=O MCULE-5309261345 [0,2,0,0,0,0|0,1,1]=4 1801 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,2,0,0,0,0|2,0,0]=4 1802 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,2,0,0,0,0|2,0,0]=4 1803 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,2,0,0,0,0|1,0,0]=3 1804 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,2,0,0,0,0|1,0,0]=3 1805 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,2,0,0,0,0|1,0,0]=3 1806 B6R0.4 NCCNC(=S)N MCULE-7473616024 [0,2,0,0,0,0|1,1,0]=4 1807 B6R0.4 NCCNC(=S)N MCULE-7947010145 [0,2,0,0,0,0|1,1,0]=4 1808 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,2,0,0,0,0|2,0,0]=4 1809 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,2,0,0,0,0|2,0,0]=4 1810 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,2,0,0,0,0|2,0,0]=4 1811 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,2,0,0,0,0|2,0,0]=4 1812 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [0,2,0,0,0,0|2,0,0]=4 1813 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [0,2,0,0,0,0|2,0,0]=4 1814 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [0,2,0,0,0,0|2,0,0]=4 1815 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,2,0,0,0,0|1,0,0]=3 1816 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [0,2,0,0,0,0|1,0,0]=3 1817 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [0,2,0,0,0,0|1,0,1]=4 1818 B6R0.5 CCNS(=O)(=O)N MCULE-5535895823 [0,2,0,0,0,0|2,0,0]=4 1819 B6R0.5 NS(=O)(=O)CCO MCULE-2612328809 [0,2,0,0,0,0|2,0,0]=4 1820 B6R0.8 CNS(=O)(=O)NC MCULE-7486078355 [0,2,0,0,0,0|2,0,0]=4 1821 B6R0.8 NNS(=O)(=O)NN MCULE-8862180154 [0,2,0,0,0,0|2,0,0]=4 1822 B6R0.9 C/N=C(/CO)\NC MCULE-6025664069 [0,2,0,0,0,0|2,0,0]=4 1823 B6R0.9 CN=C(NC)NC MCULE-9588381901 [0,2,0,0,0,0|2,0,0]=4 1824 B6R0.9 CNC(=NN)NC MCULE-4946796362 [0,2,0,0,0,0|2,0,0]=4 1825 B6R0.9 CNC(=NN)NC MCULE-9911808922 [0,2,0,0,0,0|2,0,0]=4 1826 B6R0.9 CS/C(=N\N)/NN MCULE-1127876112 [0,2,0,0,0,0|1,1,0]=4 1827 B6R0.9 CS/C(=N\N)/NN MCULE-9055186024 [0,2,0,0,0,0|1,1,0]=4 1828 B6R0.9 N#CC(=CN)C=O MCULE-8372425513 [0,2,0,0,0,0|2,0,0]=4 1829 B6R0.9 NN=C(NN)NN MCULE-2612648200 [0,2,0,0,0,0|2,0,0]=4 1830 B6R0.9 NN=C(NN)NN MCULE-8111884423 [0,2,0,0,0,0|2,0,0]=4 1831 B6R0.7 CC(=O)C(C)(C)O MCULE-1535627387 [0,2,0,0,0,0|2,0,0]=4 1832 B6R0.7 CC(C)(Br)C(=O)N MCULE-9238574572 [0,2,0,0,0,0|2,0,0]=4 1833 B6R0.7 CC(C)(C)C(=O)N MCULE-1267347906 [0,2,0,0,0,0|2,0,0]=4 1834 B6R0.7 CC(C)(F)C(=O)N MCULE-7528431736 [0,2,0,0,0,0|2,0,0]=4 1835 B6R0.7 CC(C)(N)C(=O)N MCULE-4893991321 [0,2,0,0,0,0|2,0,0]=4 1836 B6R0.7 CC(C)(N)C(=O)N MCULE-7819904882 [0,2,0,0,0,0|2,0,0]=4 1837 B6R0.7 CC(C)(O)C(=N)N MCULE-4499579707 [0,2,0,0,0,0|2,0,0]=4 1838 B6R0.7 CC(C)(O)C(=N)N MCULE-5382519131 [0,2,0,0,0,0|2,0,0]=4 1839 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [0,2,0,0,0,0|1,0,0]=3 1840 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [0,2,0,0,0,0|2,0,0]=4 1841 B6R0.7 CC(F)(F)C(=O)N MCULE-2299323235 [0,2,0,0,0,0|2,0,0]=4 1842 B6R0.7 CN(C)S(=O)(=O)N MCULE-5196865280 [0,2,0,0,0,0|2,0,0]=4 1843 B6R0.7 N=C(N)S(=O)(=O)O MCULE-9630791590 [0,2,0,0,0,0|2,0,0]=4 1844 B6R0.7 NC(=O)C(Cl)(Cl)Cl MCULE-6471792332 [0,2,0,0,0,0|2,0,0]=4 1845 B6R0.7 NC(=O)C(F)(Br)Br MCULE-2101860120 [0,2,0,0,0,0|2,0,0]=4 1846 B6R0.7 NC(=O)C(F)(F)Br MCULE-3558144165 [0,2,0,0,0,0|2,0,0]=4 1847 B6R0.7 NC(=O)C(F)(F)Cl MCULE-5829864769 [0,2,0,0,0,0|2,0,0]=4 1848 B6R0.7 NC(=O)C(F)(F)F MCULE-5736855180 [0,2,0,0,0,0|2,0,0]=4 1849 B6R0.7 O=C(O)P(=O)(O)O MCULE-6294437098 [0,2,0,0,0,0|1,1,0]=4 1850 B6R1.2 N=C1NCCN1 MCULE-4983030911 [0,1,0,1,0,0|2,0,0]=4 1851 B6R1.2 NC1=CC=CN1 MCULE-5653620818 [0,1,0,1,0,0|2,0,0]=4 1852 B6R1.2 NC1=CC=CN1 MCULE-9753432085 [0,1,0,1,0,0|2,0,0]=4 1853 B6R1.2 NC1=CCNN1 MCULE-1539779543 [0,1,0,1,0,0|2,0,0]=4 1854 B6R1.2 NC1=CCNN1 MCULE-3460056890 [0,1,0,1,0,0|2,0,0]=4 1855 B6R1.2 NC1=CCNN1 MCULE-5423983278 [0,1,0,1,0,0|2,0,0]=4 1856 B6R1.2 NC1=CN=CN1 MCULE-3029255616 [0,1,0,1,0,0|2,0,0]=4 1857 B6R1.2 NC1=CN=CN1 MCULE-8873453977 [0,1,0,1,0,0|2,0,0]=4 1858 B6R1.2 NC1=CN=CN1 MCULE-9206811415 [0,1,0,1,0,0|2,0,0]=4 1859 B6R1.2 NC1=CNC=C1 MCULE-1411730985 [0,1,0,1,0,0|2,0,0]=4 1860 B6R1.2 NC1=CNC=C1 MCULE-7701316156 [0,1,0,1,0,0|2,0,0]=4 1861 B6R1.2 NC1=CNN=C1 MCULE-4119655375 [0,1,0,1,0,0|2,0,0]=4 1862 B6R1.2 NC1=CNN=C1 MCULE-5097217370 [0,1,0,1,0,0|2,0,0]=4 1863 B6R1.2 NC1=CNN=C1 MCULE-6287007700 [0,1,0,1,0,0|2,0,0]=4 1864 B6R1.2 NC1=CNN=N1 MCULE-7644677669 [0,1,0,1,0,0|2,0,0]=4 1865 B6R1.2 NC1=COC=C1 MCULE-1858324031 [0,1,0,1,0,0|2,0,0]=4 1866 B6R1.2 NC1=COC=C1 MCULE-3985426542 [0,1,0,1,0,0|2,0,0]=4 1867 B6R1.2 NC1=COC=N1 MCULE-2511021171 [0,1,0,1,0,0|1,0,1]=4 1868 B6R1.2 NC1=COC=N1 MCULE-3099880728 [0,1,0,1,0,0|1,0,1]=4 1869 B6R1.2 NC1=CON=C1 MCULE-2373604754 [0,1,0,1,0,0|1,0,1]=4 1870 B6R1.2 NC1=CON=C1 MCULE-7932471087 [0,1,0,1,0,0|1,0,1]=4 1871 B6R1.2 NC1=NC=CN1 MCULE-4937045321 [0,1,0,1,0,0|2,0,0]=4 1872 B6R1.2 NC1=NC=CN1 MCULE-6371804569 [0,1,0,1,0,0|2,0,0]=4 1873 B6R1.2 NC1=NC=CN1 MCULE-7485953374 [0,1,0,1,0,0|2,0,0]=4 1874 B6R1.2 NC1=NC=CN1 MCULE-9607974759 [0,1,0,1,0,0|2,0,0]=4 1875 B6R1.2 NC1=NC=NN1 MCULE-6203622976 [0,1,0,1,0,0|2,0,0]=4 1876 B6R1.2 NC1=NCCN1 MCULE-1788173657 [0,1,0,1,0,0|2,0,0]=4 1877 B6R1.2 NC1=NCCN1 MCULE-9804694628 [0,1,0,1,0,0|2,0,0]=4 1878 B6R1.2 NC1=NN=NN1 MCULE-4162497867 [0,1,0,1,0,0|2,0,0]=4 1879 B6R1.2 NC1=NNC=C1 MCULE-1507683823 [0,1,0,1,0,0|2,0,0]=4 1880 B6R1.2 NC1=NNC=C1 MCULE-5117516307 [0,1,0,1,0,0|2,0,0]=4 1881 B6R1.2 NC1=NNC=C1 MCULE-7091290697 [0,1,0,1,0,0|2,0,0]=4 1882 B6R1.2 NC1=NNCC1 MCULE-4665265929 [0,1,0,1,0,0|2,0,0]=4 1883 B6R1.2 NC1=NNN=C1 MCULE-4268197612 [0,1,0,1,0,0|2,0,0]=4 1884 B6R1.2 NC1=NOC=C1 MCULE-5363092492 [0,1,0,1,0,0|1,0,1]=4 1885 B6R1.2 NC1=NOC=N1 MCULE-1140308393 [0,1,0,1,0,0|1,0,1]=4 1886 B6R1.2 NC1=NOCC1 MCULE-4971355735 [0,1,0,1,0,0|1,0,1]=4 1887 B6R1.2 NC1=NON=C1 MCULE-1928445544 [0,1,0,1,0,0|1,0,1]=4 1888 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [0,1,0,1,0,0|2,0,0]=4 1889 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [0,1,0,1,0,0|2,0,0]=4 1890 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [0,1,0,1,0,0|1,1,0]=4 1891 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [0,1,0,1,0,0|2,0,0]=4 1892 B6R1.2 O=C1CCCN1 MCULE-3061780794 [0,1,0,1,0,0|2,0,0]=4 1893 B6R1.2 O=C1CCNC1 MCULE-2947789259 [0,1,0,1,0,0|2,0,0]=4 1894 B6R1.2 O=C1CCNC1 MCULE-7192595052 [0,1,0,1,0,0|2,0,0]=4 1895 B6R1.2 O=C1CCNN1 MCULE-7030953666 [0,1,0,1,0,0|2,0,0]=4 1896 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,1,0,1,0,0|2,0,0]=4 1897 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,1,0,1,0,0|1,0,0]=3 1898 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [0,1,0,1,0,0|2,0,0]=4 1899 B6R1.2 O=C1CNCN1 MCULE-2645891847 [0,1,0,1,0,0|1,0,0]=3 1900 B6R1.2 O=C1CNCN1 MCULE-9269137129 [0,1,0,1,0,0|1,0,0]=3 1901 B6R1.2 O=C1CSCN1 MCULE-3946660854 [0,1,0,1,0,0|1,1,0]=4 1902 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [0,1,0,1,0,0|1,0,0]=3 1903 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [0,1,0,1,0,0|2,0,0]=4 1904 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [0,1,0,1,0,0|2,0,0]=4 1905 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [0,1,0,1,0,0|1,0,0]=3 1906 B6R1.2 O=C1NCCN1 MCULE-9806791551 [0,1,0,1,0,0|1,0,0]=3 1907 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,1,0,1,0,0|2,0,0]=4 1908 B6R1.2 O=C1NCCS1 MCULE-6732478086 [0,1,0,1,0,0|2,0,0]=4 1909 B6R1.2 O=C1NN=NN1 MCULE-2843823671 [0,1,0,1,0,0|1,0,0]=3 1910 B6R1.2 S=C1NCCN1 MCULE-3300710815 [0,1,0,1,0,0|1,1,0]=4 1911 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,1,0,1,0,0|2,0,0]=4 1912 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [0,1,0,1,0,0|2,0,0]=4 1913 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [0,1,0,1,0,0|2,0,0]=4 1914 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,1,0,1,0,0|2,0,0]=4 1915 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,1,0,1,0,0|2,0,0]=4 1916 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [0,1,0,1,0,0|2,0,0]=4 1917 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,1,0,1,0,0|1,0,0]=3 1918 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,1,0,1,0,0|2,0,0]=4 1919 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,1,0,1,0,0|2,0,0]=4 1920 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,1,0,1,0,0|2,0,0]=4 1921 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,1,0,1,0,0|2,0,0]=4 1922 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,1,0,1,0,0|2,0,0]=4 1923 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,1,0,1,0,0|2,0,0]=4 1924 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [0,1,0,1,0,0|2,0,0]=4 1925 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [0,1,0,1,0,0|2,0,0]=4 1926 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [0,1,0,1,0,0|2,0,0]=4 1927 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [0,1,0,1,0,0|2,0,0]=4 1928 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [0,1,0,1,0,0|2,0,0]=4 1929 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [0,1,0,1,0,0|2,0,0]=4 1930 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [0,1,0,1,0,0|2,0,0]=4 1931 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [0,1,0,1,0,0|2,0,0]=4 1932 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,1,0,1,0,0|2,0,0]=4 1933 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,1,0,1,0,0|2,0,0]=4 1934 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,1,0,1,0,0|2,0,0]=4 1935 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,1,0,1,0,0|2,0,0]=4 1936 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,1,0,1,0,0|1,0,0]=3 1937 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,1,0,1,0,0|1,0,0]=3 1938 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,1,0,1,0,0|1,0,0]=3 1939 B6R1.4 NC1COC1=O MCULE-6998565452 [0,1,0,1,0,0|1,0,1]=4 1940 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,1,0,1,0,0|2,0,0]=4 1941 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,1,0,1,0,0|2,0,0]=4 1942 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,1,0,1,0,0|1,0,0]=3 1943 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,1,0,1,0,0|1,0,0]=3 1944 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,1,0,1,0,0|1,0,0]=3 1945 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,1,0,1,0,0|1,0,0]=3 1946 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,1,0,1,0,0|1,0,1]=4 1947 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,1,0,1,0,0|1,0,1]=4 1948 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,1,0,1,0,0|1,0,0]=3 1949 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,1,0,1,0,0|1,0,0]=3 1950 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,1,0,1,0,0|1,0,0]=3 1951 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,1,0,1,0,0|1,0,0]=3 1952 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,1,0,1,0,0|1,0,1]=4 1953 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,1,0,1,0,0|2,0,0]=4 1954 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,1,0,1,0,0|1,0,1]=4