0 B4R0.1 BrC=C(Br)Br MCULE-9536958233 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C#CB(O)O MCULE-2503425015 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C#CC(=C)C MCULE-6826835331 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 C#CC(=O)C MCULE-1296030711 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C#CC(=O)N MCULE-1832868146 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C#CC(=O)O MCULE-8764256624 [0,0,0,0,0,0|1,0,1]=2 6 B4R0.1 C#CC(=O)[O-] MCULE-3356498679 [0,0,0,0,0,0|1,0,2]=3 7 B4R0.1 C#CC(=O)[O-] MCULE-3490087346 [0,0,0,0,0,0|1,0,2]=3 8 B4R0.1 C#CC(C)O MCULE-6692690957 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.1 C#CC(C)O MCULE-8115962170 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 C#C[C@@H](C)O MCULE-3014030718 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 C#C[C@@H](C)O MCULE-5925379513 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.1 C#C[C@H](C)O MCULE-3264536845 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 C=C(Br)C#N MCULE-6077746884 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 C=C(Br)C=O MCULE-9500973388 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.1 C=C(Br)CBr MCULE-1222617820 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 C=C(Br)CC MCULE-6271946451 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 C=C(Br)CN MCULE-1170417597 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 C=C(Br)CN MCULE-9190049156 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 C=C(Br)CO MCULE-7763893047 [0,0,0,0,0,0|2,0,2]=4 25 B4R0.1 C=C(C)C#N MCULE-9177849910 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 C=C(C)C=O MCULE-3758355501 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.1 C=C(C)CBr MCULE-1361893863 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 C=C(C)CCl MCULE-5586406339 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 C=C(C)CI MCULE-3678124406 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 C=C(C)CN MCULE-1033495975 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 C=C(C)CN MCULE-8730181300 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 C=C(C)CO MCULE-8641288398 [0,0,0,0,0,0|2,0,2]=4 33 B4R0.1 C=C(C)CS MCULE-5174170431 [0,0,0,0,0,0|2,1,1]=4 34 B4R0.1 C=C(C)OC MCULE-7344104255 [0,0,0,0,0,0|4,0,0]=4 35 B4R0.1 C=C(Cl)C#N MCULE-8612604639 [0,0,0,0,0,0|3,0,1]=4 36 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [0,0,0,0,0,0|3,0,1]=4 37 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [0,0,0,0,0,0|3,0,1]=4 38 B4R0.1 C=C(Cl)CI MCULE-1908004565 [0,0,0,0,0,0|3,0,1]=4 39 B4R0.1 C=C(Cl)CN MCULE-2159410121 [0,0,0,0,0,0|3,0,1]=4 40 B4R0.1 C=C(Cl)CN MCULE-3454023553 [0,0,0,0,0,0|3,0,1]=4 41 B4R0.1 C=C(Cl)CO MCULE-8813337564 [0,0,0,0,0,0|2,0,2]=4 42 B4R0.1 C=C(F)CBr MCULE-6528430141 [0,0,0,0,0,0|3,0,1]=4 43 B4R0.1 C=C(F)CCl MCULE-4499400030 [0,0,0,0,0,0|3,0,1]=4 44 B4R0.1 C=C(F)CN MCULE-1603171858 [0,0,0,0,0,0|3,0,1]=4 45 B4R0.1 C=C(F)CN MCULE-3878727292 [0,0,0,0,0,0|3,0,1]=4 46 B4R0.1 C=C(F)CO MCULE-2779963696 [0,0,0,0,0,0|2,0,2]=4 47 B4R0.1 C=C(I)CO MCULE-2533897125 [0,0,0,0,0,0|2,0,2]=4 48 B4R0.1 C=C=C(C)C MCULE-8705186354 [0,0,0,0,0,0|3,0,1]=4 49 B4R0.1 C=CB(O)O MCULE-2531600001 [0,0,0,0,0,0|2,0,1]=3 50 B4R0.1 C=CC(=C)C MCULE-1668999564 [0,0,0,0,0,0|3,0,0]=3 51 B4R0.1 C=CC(=O)C MCULE-4924646293 [0,0,0,0,0,0|2,0,0]=2 52 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [0,0,0,0,0,0|2,0,0]=2 53 B4R0.1 C=CC(=O)N MCULE-4309430654 [0,0,0,0,0,0|2,0,0]=2 54 B4R0.1 C=CC(=O)O MCULE-9352227082 [0,0,0,0,0,0|1,0,0]=1 55 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [0,0,0,0,0,0|1,0,1]=2 56 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [0,0,0,0,0,0|1,0,1]=2 57 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [0,0,0,0,0,0|1,0,1]=2 58 B4R0.1 C=CC(C)Cl MCULE-1756172983 [0,0,0,0,0,0|3,0,1]=4 59 B4R0.1 C=CC(C)N MCULE-5748048106 [0,0,0,0,0,0|3,0,1]=4 60 B4R0.1 C=CC(C)N MCULE-6786590923 [0,0,0,0,0,0|3,0,1]=4 61 B4R0.1 C=CC(C)O MCULE-4525368256 [0,0,0,0,0,0|2,0,1]=3 62 B4R0.1 C=CN(=O)=O MCULE-1988475489 [0,0,0,0,0,0|2,0,1]=3 63 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [0,0,0,0,0,0|3,0,1]=4 64 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [0,0,0,0,0,0|3,0,1]=4 65 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [0,0,0,0,0,0|3,0,1]=4 66 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [0,0,0,0,0,0|3,0,1]=4 67 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [0,0,0,0,0,0|3,0,1]=4 68 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [0,0,0,0,0,0|3,0,1]=4 69 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [0,0,0,0,0,0|3,0,1]=4 70 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [0,0,0,0,0,0|3,0,1]=4 71 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [0,0,0,0,0,0|2,0,1]=3 72 B4R0.1 CC(=CBr)C MCULE-9508381610 [0,0,0,0,0,0|3,0,0]=3 73 B4R0.1 CC(=CCl)C MCULE-4321554138 [0,0,0,0,0,0|3,0,0]=3 74 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [0,0,0,0,0,0|3,0,0]=3 75 B4R0.1 CC(=N)NN MCULE-2302306720 [0,0,0,0,0,0|4,0,0]=4 76 B4R0.1 CC(=N)NN MCULE-5362481009 [0,0,0,0,0,0|4,0,0]=4 77 B4R0.1 CC(=NN)C MCULE-8828852790 [0,0,0,0,0,0|4,0,0]=4 78 B4R0.1 CC(=NO)C MCULE-3243100216 [0,0,0,0,0,0|3,0,1]=4 79 B4R0.1 CC(=O)C#N MCULE-6317771757 [0,0,0,0,0,0|2,0,1]=3 80 B4R0.1 CC(=O)C=O MCULE-2718961814 [0,0,0,0,0,0|1,0,0]=1 81 B4R0.1 CC(=O)CBr MCULE-7812920675 [0,0,0,0,0,0|2,0,1]=3 82 B4R0.1 CC(=O)CCl MCULE-2501365933 [0,0,0,0,0,0|2,0,1]=3 83 B4R0.1 CC(=O)CF MCULE-7417279999 [0,0,0,0,0,0|2,0,1]=3 84 B4R0.1 CC(=O)CN MCULE-2715277783 [0,0,0,0,0,0|2,0,1]=3 85 B4R0.1 CC(=O)CN MCULE-6004541862 [0,0,0,0,0,0|2,0,1]=3 86 B4R0.1 CC(=O)CO MCULE-2989526028 [0,0,0,0,0,0|1,0,2]=3 87 B4R0.1 CC(=O)CS MCULE-9736174016 [0,0,0,0,0,0|1,1,1]=3 88 B4R0.1 CC(=O)NBr MCULE-6502070876 [0,0,0,0,0,0|3,0,0]=3 89 B4R0.1 CC(=O)NN MCULE-9183467120 [0,0,0,0,0,0|3,0,0]=3 90 B4R0.1 CC(=O)NO MCULE-2682231025 [0,0,0,0,0,0|2,0,1]=3 91 B4R0.1 CC(=O)OO MCULE-6028338742 [0,0,0,0,0,0|2,0,1]=3 92 B4R0.1 CC(Br)C=O MCULE-6060704330 [0,0,0,0,0,0|2,0,1]=3 93 B4R0.1 CC(C)C=O MCULE-3575731904 [0,0,0,0,0,0|2,0,1]=3 94 B4R0.1 CC(N)C=O MCULE-3421118418 [0,0,0,0,0,0|2,0,1]=3 95 B4R0.1 CC(O)C#N MCULE-3166802314 [0,0,0,0,0,0|2,0,2]=4 96 B4R0.1 CC(O)CBr MCULE-7835094737 [0,0,0,0,0,0|2,0,2]=4 97 B4R0.1 CC(O)CCl MCULE-9140807958 [0,0,0,0,0,0|2,0,2]=4 98 B4R0.1 CC(O)CF MCULE-1023052065 [0,0,0,0,0,0|2,0,2]=4 99 B4R0.1 CC(O)CN MCULE-4370440652 [0,0,0,0,0,0|2,0,2]=4 100 B4R0.1 CC(O)CN MCULE-5694317743 [0,0,0,0,0,0|2,0,2]=4 101 B4R0.1 CC(O)CN MCULE-6406041538 [0,0,0,0,0,0|2,0,2]=4 102 B4R0.1 CC(O)CN MCULE-6636652305 [0,0,0,0,0,0|2,0,2]=4 103 B4R0.1 CC(O)CO MCULE-5574440784 [0,0,0,0,0,0|1,0,3]=4 104 B4R0.1 CC(O)CO MCULE-8743139013 [0,0,0,0,0,0|1,0,3]=4 105 B4R0.1 CC(O)CS MCULE-7881083356 [0,0,0,0,0,0|1,1,2]=4 106 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [0,0,0,0,0,0|2,0,2]=4 107 B4R0.1 CC=C(C)Br MCULE-1371905211 [0,0,0,0,0,0|3,0,0]=3 108 B4R0.1 CC=C(C)C MCULE-4230157245 [0,0,0,0,0,0|3,0,0]=3 109 B4R0.1 CC=C(C)Cl MCULE-3844314543 [0,0,0,0,0,0|3,0,0]=3 110 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [0,0,0,0,0,0|3,0,0]=3 111 B4R0.1 CC=C(F)F MCULE-5544510852 [0,0,0,0,0,0|3,0,0]=3 112 B4R0.1 CCB(O)O MCULE-1650960999 [0,0,0,0,0,0|2,0,2]=4 113 B4R0.1 CCC(=N)N MCULE-1856575742 [0,0,0,0,0,0|3,0,1]=4 114 B4R0.1 CCC(=N)N MCULE-2534386807 [0,0,0,0,0,0|3,0,1]=4 115 B4R0.1 CCC(=O)Br MCULE-7870678619 [0,0,0,0,0,0|2,0,1]=3 116 B4R0.1 CCC(=O)C MCULE-8276670748 [0,0,0,0,0,0|2,0,1]=3 117 B4R0.1 CCC(=O)Cl MCULE-3081874391 [0,0,0,0,0,0|2,0,1]=3 118 B4R0.1 CCC(=O)F MCULE-8783887670 [0,0,0,0,0,0|2,0,1]=3 119 B4R0.1 CCC(=O)N MCULE-3730796130 [0,0,0,0,0,0|2,0,1]=3 120 B4R0.1 CCC(=O)O MCULE-2199051150 [0,0,0,0,0,0|1,0,1]=2 121 B4R0.1 CCC(=O)O MCULE-9800054040 [0,0,0,0,0,0|1,0,1]=2 122 B4R0.1 CCC(=O)S MCULE-3392119766 [0,0,0,0,0,0|1,1,1]=3 123 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [0,0,0,0,0,0|1,0,2]=3 124 B4R0.1 CCC(=S)N MCULE-3921479699 [0,0,0,0,0,0|2,1,1]=4 125 B4R0.1 CCC(C)O MCULE-4099350806 [0,0,0,0,0,0|2,0,2]=4 126 B4R0.1 CCC(C)O MCULE-5005120003 [0,0,0,0,0,0|2,0,2]=4 127 B4R0.1 CCN(=O)=O MCULE-6603591614 [0,0,0,0,0,0|2,0,2]=4 128 B4R0.1 CCS(=O)C MCULE-4400935745 [0,0,0,0,0,0|3,0,1]=4 129 B4R0.1 CCS(=O)O MCULE-9872932319 [0,0,0,0,0,0|2,0,1]=3 130 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [0,0,0,0,0,0|2,0,2]=4 131 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [0,0,0,0,0,0|2,0,2]=4 132 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [0,0,0,0,0,0|2,0,2]=4 133 B4R0.1 CC[C@H](C)O MCULE-3700911573 [0,0,0,0,0,0|2,0,2]=4 134 B4R0.1 CC[C@H](C)O MCULE-6063716138 [0,0,0,0,0,0|2,0,2]=4 135 B4R0.1 CN(C)C=O MCULE-6290117712 [0,0,0,0,0,0|3,0,0]=3 136 B4R0.1 CN(C)C=S MCULE-3571847382 [0,0,0,0,0,0|3,1,0]=4 137 B4R0.1 CN(C)N=O MCULE-1157726226 [0,0,0,0,0,0|4,0,0]=4 138 B4R0.1 CN(N)C=O MCULE-6353057165 [0,0,0,0,0,0|3,0,0]=3 139 B4R0.1 CNC(=N)N MCULE-1074994749 [0,0,0,0,0,0|4,0,0]=4 140 B4R0.1 CNC(=N)N MCULE-6149731862 [0,0,0,0,0,0|4,0,0]=4 141 B4R0.1 CNC(=N)N MCULE-7667364021 [0,0,0,0,0,0|4,0,0]=4 142 B4R0.1 CNC(=N)N MCULE-7854448694 [0,0,0,0,0,0|4,0,0]=4 143 B4R0.1 CNC(=O)C MCULE-2612997941 [0,0,0,0,0,0|3,0,0]=3 144 B4R0.1 CNC(=O)Cl MCULE-7743744606 [0,0,0,0,0,0|3,0,0]=3 145 B4R0.1 CNC(=O)N MCULE-6422331704 [0,0,0,0,0,0|3,0,0]=3 146 B4R0.1 CNC(=S)C MCULE-8699171591 [0,0,0,0,0,0|3,1,0]=4 147 B4R0.1 CNC(=S)N MCULE-7103250725 [0,0,0,0,0,0|3,1,0]=4 148 B4R0.1 CNC(=S)[S-] MCULE-4072880135 [0,0,0,0,0,0|2,2,0]=4 149 B4R0.1 CNC(=S)[S-] MCULE-4924829934 [0,0,0,0,0,0|2,2,0]=4 150 B4R0.1 COC(=N)C MCULE-2752794913 [0,0,0,0,0,0|4,0,0]=4 151 B4R0.1 COC(=N)C MCULE-2904991083 [0,0,0,0,0,0|4,0,0]=4 152 B4R0.1 COC(=N)N MCULE-1611076737 [0,0,0,0,0,0|4,0,0]=4 153 B4R0.1 COC(=N)N MCULE-4923904579 [0,0,0,0,0,0|4,0,0]=4 154 B4R0.1 COC(=N)N MCULE-6696789855 [0,0,0,0,0,0|4,0,0]=4 155 B4R0.1 COC(=N)N MCULE-9171600210 [0,0,0,0,0,0|4,0,0]=4 156 B4R0.1 COC(=O)C MCULE-7368066093 [0,0,0,0,0,0|3,0,0]=3 157 B4R0.1 COC(=O)Cl MCULE-8022274771 [0,0,0,0,0,0|3,0,0]=3 158 B4R0.1 COC(=O)N MCULE-4070607369 [0,0,0,0,0,0|3,0,0]=3 159 B4R0.1 COC(=S)N MCULE-9414558443 [0,0,0,0,0,0|3,1,0]=4 160 B4R0.1 COC(=S)[S-] MCULE-4829872223 [0,0,0,0,0,0|2,2,0]=4 161 B4R0.1 COC(=S)[S-] MCULE-6509496630 [0,0,0,0,0,0|2,2,0]=4 162 B4R0.1 CSC(=N)N MCULE-1471368384 [0,0,0,0,0,0|4,0,0]=4 163 B4R0.1 CSC(=N)N MCULE-3394284504 [0,0,0,0,0,0|4,0,0]=4 164 B4R0.1 CSC(=N)N MCULE-3752198299 [0,0,0,0,0,0|4,0,0]=4 165 B4R0.1 CSC(=N)N MCULE-5672446896 [0,0,0,0,0,0|4,0,0]=4 166 B4R0.1 CSC(=N)N MCULE-8409992127 [0,0,0,0,0,0|4,0,0]=4 167 B4R0.1 CSC(=O)C MCULE-7061634598 [0,0,0,0,0,0|3,0,0]=3 168 B4R0.1 CSC(=S)C MCULE-4836153374 [0,0,0,0,0,0|3,1,0]=4 169 B4R0.1 CSS(=O)C MCULE-6515592458 [0,0,0,0,0,0|4,0,0]=4 170 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [0,0,0,0,0,0|1,0,1]=2 171 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [0,0,0,0,0,0|2,0,2]=4 172 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [0,0,0,0,0,0|2,0,2]=4 173 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [0,0,0,0,0,0|2,0,2]=4 174 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [0,0,0,0,0,0|1,0,3]=4 175 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [0,0,0,0,0,0|1,0,3]=4 176 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [0,0,0,0,0,0|1,1,2]=4 177 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [0,0,0,0,0,0|2,0,2]=4 178 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [0,0,0,0,0,0|2,0,2]=4 179 B4R0.1 C[C@H](O)CN MCULE-3227371869 [0,0,0,0,0,0|2,0,2]=4 180 B4R0.1 C[C@H](O)CN MCULE-5480489257 [0,0,0,0,0,0|2,0,2]=4 181 B4R0.1 C[C@H](O)CO MCULE-6582852191 [0,0,0,0,0,0|1,0,3]=4 182 B4R0.1 C[C@H](O)CO MCULE-8074793296 [0,0,0,0,0,0|1,0,3]=4 183 B4R0.1 C[C@H](O)CS MCULE-9061842733 [0,0,0,0,0,0|1,1,2]=4 184 B4R0.1 C[N+](=CBr)C MCULE-4078543172 [0,0,0,0,0,0|4,0,0]=4 185 B4R0.1 C[N+](=CBr)C MCULE-9146783444 [0,0,0,0,0,0|4,0,0]=4 186 B4R0.1 C[N+](=CCl)C MCULE-5768539789 [0,0,0,0,0,0|4,0,0]=4 187 B4R0.1 C[N+](=CCl)C MCULE-6936774679 [0,0,0,0,0,0|4,0,0]=4 188 B4R0.1 ClC=C(Cl)Cl MCULE-3945953656 [0,0,0,0,0,0|3,0,0]=3 189 B4R0.1 FC(=CBr)F MCULE-5114290777 [0,0,0,0,0,0|3,0,0]=3 190 B4R0.1 FC=C(Br)Br MCULE-3150710627 [0,0,0,0,0,0|3,0,0]=3 191 B4R0.1 FC=C(F)F MCULE-2449532887 [0,0,0,0,0,0|3,0,0]=3 192 B4R0.1 N=C(N)CCl MCULE-1495198330 [0,0,0,0,0,0|3,0,1]=4 193 B4R0.1 N=C(N)CCl MCULE-2087468158 [0,0,0,0,0,0|3,0,1]=4 194 B4R0.1 N=C(N)CF MCULE-4489534021 [0,0,0,0,0,0|3,0,1]=4 195 B4R0.1 N=C(N)CF MCULE-8858704396 [0,0,0,0,0,0|3,0,1]=4 196 B4R0.1 N=C(N)CN MCULE-2761790792 [0,0,0,0,0,0|3,0,1]=4 197 B4R0.1 N=C(N)CN MCULE-5131841850 [0,0,0,0,0,0|3,0,1]=4 198 B4R0.1 N=C(N)CN MCULE-6618111844 [0,0,0,0,0,0|3,0,1]=4 199 B4R0.1 N=C(N)CO MCULE-5146395919 [0,0,0,0,0,0|2,0,2]=4 200 B4R0.1 N=C(N)CO MCULE-8814507460 [0,0,0,0,0,0|2,0,2]=4 201 B4R0.1 N=C(N)NN MCULE-1109353559 [0,0,0,0,0,0|4,0,0]=4 202 B4R0.1 N=C(N)NN MCULE-3637328913 [0,0,0,0,0,0|4,0,0]=4 203 B4R0.1 N=C(N)NN MCULE-4551185793 [0,0,0,0,0,0|4,0,0]=4 204 B4R0.1 N=C(N)NN MCULE-8251830457 [0,0,0,0,0,0|4,0,0]=4 205 B4R0.1 N=C(N)NO MCULE-2554837832 [0,0,0,0,0,0|3,0,1]=4 206 B4R0.1 N=C(N)NO MCULE-5458374815 [0,0,0,0,0,0|3,0,1]=4 207 B4R0.1 N=C(N)NO MCULE-5913043834 [0,0,0,0,0,0|3,0,1]=4 208 B4R0.1 NC(=NO)N MCULE-7650923271 [0,0,0,0,0,0|3,0,1]=4 209 B4R0.1 NC(=O)CBr MCULE-9306090536 [0,0,0,0,0,0|2,0,1]=3 210 B4R0.1 NC(=O)CCl MCULE-3241549842 [0,0,0,0,0,0|2,0,1]=3 211 B4R0.1 NC(=O)CF MCULE-3344212657 [0,0,0,0,0,0|2,0,1]=3 212 B4R0.1 NC(=O)CI MCULE-4217973413 [0,0,0,0,0,0|2,0,1]=3 213 B4R0.1 NC(=O)CO MCULE-2739878376 [0,0,0,0,0,0|1,0,2]=3 214 B4R0.1 NC(=O)CS MCULE-2639305532 [0,0,0,0,0,0|1,1,1]=3 215 B4R0.1 NC(=O)NO MCULE-9465284053 [0,0,0,0,0,0|2,0,1]=3 216 B4R0.1 NC(=S)CF MCULE-7873791134 [0,0,0,0,0,0|2,1,1]=4 217 B4R0.1 NC(=S)CO MCULE-9301705313 [0,0,0,0,0,0|1,1,2]=4 218 B4R0.1 NCC(=O)N MCULE-1048848056 [0,0,0,0,0,0|2,0,1]=3 219 B4R0.1 NCC(=O)N MCULE-2174395809 [0,0,0,0,0,0|2,0,1]=3 220 B4R0.1 NCC(=O)N MCULE-6113166250 [0,0,0,0,0,0|2,0,1]=3 221 B4R0.1 NCC(=O)O MCULE-2415764032 [0,0,0,0,0,0|1,0,1]=2 222 B4R0.1 NCC(=O)O MCULE-3643110755 [0,0,0,0,0,0|1,0,1]=2 223 B4R0.1 NCC(=O)O MCULE-4349255299 [0,0,0,0,0,0|1,0,1]=2 224 B4R0.1 NCC(=O)O MCULE-9146223615 [0,0,0,0,0,0|1,0,1]=2 225 B4R0.1 NCC(=O)O MCULE-9701991737 [0,0,0,0,0,0|1,0,1]=2 226 B4R0.1 NCC(=O)S MCULE-9837799864 [0,0,0,0,0,0|1,1,1]=3 227 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [0,0,0,0,0,0|1,0,2]=3 228 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [0,0,0,0,0,0|2,0,2]=4 229 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [0,0,0,0,0,0|2,0,2]=4 230 B4R0.1 NN=C(N)N MCULE-4671721847 [0,0,0,0,0,0|4,0,0]=4 231 B4R0.1 NNC(=O)N MCULE-3392559370 [0,0,0,0,0,0|3,0,0]=3 232 B4R0.1 NNC(=O)N MCULE-8490374775 [0,0,0,0,0,0|3,0,0]=3 233 B4R0.1 NNC(=S)N MCULE-2970024636 [0,0,0,0,0,0|3,1,0]=4 234 B4R0.1 NNC(=S)N MCULE-6378380063 [0,0,0,0,0,0|3,1,0]=4 235 B4R0.1 O=C(Br)CBr MCULE-6031858200 [0,0,0,0,0,0|2,0,1]=3 236 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [0,0,0,0,0,0|2,0,1]=3 237 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [0,0,0,0,0,0|2,0,1]=3 238 B4R0.1 O=C(Cl)CF MCULE-7182087882 [0,0,0,0,0,0|2,0,1]=3 239 B4R0.1 O=C(Cl)CI MCULE-5719121455 [0,0,0,0,0,0|2,0,1]=3 240 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [0,0,0,0,0,0|3,0,0]=3 241 B4R0.1 O=C(O)CBr MCULE-1503716137 [0,0,0,0,0,0|1,0,1]=2 242 B4R0.1 O=C(O)CCl MCULE-9228754880 [0,0,0,0,0,0|1,0,1]=2 243 B4R0.1 O=C(O)CF MCULE-6584094437 [0,0,0,0,0,0|1,0,1]=2 244 B4R0.1 O=C(O)CI MCULE-3146792857 [0,0,0,0,0,0|1,0,1]=2 245 B4R0.1 O=C(O)CO MCULE-9792551388 [0,0,0,0,0,0|0,0,2]=2 246 B4R0.1 O=C(O)CS MCULE-8097997001 [0,0,0,0,0,0|0,1,1]=2 247 B4R0.1 O=C([O-])CF MCULE-8428965857 [0,0,0,0,0,0|1,0,2]=3 248 B4R0.1 O=C([O-])CO MCULE-2780567509 [0,0,0,0,0,0|0,0,3]=3 249 B4R0.1 O=C([O-])CS MCULE-3314809220 [0,0,0,0,0,0|0,1,2]=3 250 B4R0.1 O=C([O-])CS MCULE-5989133747 [0,0,0,0,0,0|0,1,2]=3 251 B4R0.1 O=CC(=O)O MCULE-5307898766 [0,0,0,0,0,0|0,0,0]=0 252 B4R0.1 O=CC(Cl)Cl MCULE-7925858204 [0,0,0,0,0,0|2,0,1]=3 253 B4R0.1 O=N(=O)CBr MCULE-5030744397 [0,0,0,0,0,0|2,0,2]=4 254 B4R0.1 O=N(=O)CF MCULE-9920695539 [0,0,0,0,0,0|2,0,2]=4 255 B4R0.1 O=S(O)CO MCULE-4195832185 [0,0,0,0,0,0|1,0,2]=3 256 B4R0.1 O=S([O-])CF MCULE-5711587598 [0,0,0,0,0,0|2,0,2]=4 257 B4R0.1 O=S([O-])CF MCULE-9276464291 [0,0,0,0,0,0|2,0,2]=4 258 B4R0.1 O=S([O-])CO MCULE-5211722344 [0,0,0,0,0,0|1,0,3]=4 259 B4R0.1 OB(O)CCl MCULE-1740750359 [0,0,0,0,0,0|2,0,2]=4 260 B4R0.1 ON=C(Br)Br MCULE-4053513648 [0,0,0,0,0,0|3,0,1]=4 261 B4R0.1 P(=O)(O)CN MCULE-5441171864 [0,0,0,0,0,0|2,0,1]=3 262 B4R0.1 [C@@H](C)(O)C#C MCULE-8971134855 [0,0,0,0,0,0|2,0,2]=4 263 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [0,0,0,0,0,0|2,0,2]=4 264 B4R0.1 [NH3+]NC(=N)N MCULE-6971198355 [0,0,0,0,0,0|4,0,0]=4 265 B3R0.1 Br/C=C/Br MCULE-6284547614 [1,0,0,0,0,0|2,0,0]=3 266 B3R0.1 BrC=CBr MCULE-4478409345 [1,0,0,0,0,0|2,0,0]=3 267 B3R0.1 C#CC=O MCULE-4187736819 [1,0,0,0,0,0|1,0,1]=3 268 B3R0.1 C#CCO MCULE-3909200923 [1,0,0,0,0,0|1,0,2]=4 269 B3R0.1 C/B=N/O MCULE-5227399299 [1,0,0,0,0,0|3,0,0]=4 270 B3R0.1 C/C=C/Br MCULE-4076369660 [1,0,0,0,0,0|2,0,0]=3 271 B3R0.1 C/C=N/O MCULE-2376410404 [1,0,0,0,0,0|2,0,0]=3 272 B3R0.1 C=CC#N MCULE-8176403366 [1,0,0,0,0,0|2,0,1]=4 273 B3R0.1 C=CC=C MCULE-4134157329 [1,0,0,0,0,0|2,0,0]=3 274 B3R0.1 C=CC=O MCULE-2104890669 [1,0,0,0,0,0|1,0,0]=2 275 B3R0.1 C=CCBr MCULE-9486454833 [1,0,0,0,0,0|2,0,1]=4 276 B3R0.1 C=CCC MCULE-8167907130 [1,0,0,0,0,0|2,0,1]=4 277 B3R0.1 C=CCCl MCULE-4067772785 [1,0,0,0,0,0|2,0,1]=4 278 B3R0.1 C=CCF MCULE-7783191980 [1,0,0,0,0,0|2,0,1]=4 279 B3R0.1 C=CCI MCULE-5037698873 [1,0,0,0,0,0|2,0,1]=4 280 B3R0.1 C=CCN MCULE-2424616806 [1,0,0,0,0,0|2,0,1]=4 281 B3R0.1 C=CCN MCULE-2473480946 [1,0,0,0,0,0|2,0,1]=4 282 B3R0.1 C=CCO MCULE-2145308838 [1,0,0,0,0,0|1,0,1]=3 283 B3R0.1 C=CCS MCULE-7270484838 [1,0,0,0,0,0|1,1,1]=4 284 B3R0.1 C=COC MCULE-4880746684 [1,0,0,0,0,0|3,0,0]=4 285 B3R0.1 CC=CBr MCULE-2098755460 [1,0,0,0,0,0|2,0,0]=3 286 B3R0.1 CC=CCl MCULE-9225887510 [1,0,0,0,0,0|2,0,0]=3 287 B3R0.1 CC=NO MCULE-9761317381 [1,0,0,0,0,0|2,0,0]=3 288 B3R0.1 CCC=O MCULE-4079744837 [1,0,0,0,0,0|1,0,1]=3 289 B3R0.1 CCCO MCULE-6252105126 [1,0,0,0,0,0|1,0,2]=4 290 B3R0.1 CCNO MCULE-1215586669 [1,0,0,0,0,0|2,0,1]=4 291 B3R0.1 CCNO MCULE-7075818857 [1,0,0,0,0,0|2,0,1]=4 292 B3R0.1 CN=C=O MCULE-7764606582 [1,0,0,0,0,0|2,0,1]=4 293 B3R0.1 CNC=O MCULE-4739122677 [1,0,0,0,0,0|2,0,0]=3 294 B3R0.1 CNC=S MCULE-1018523469 [1,0,0,0,0,0|2,1,0]=4 295 B3R0.1 COC=O MCULE-9122749354 [1,0,0,0,0,0|2,0,0]=3 296 B3R0.1 Cl/C=C/Cl MCULE-8326307647 [1,0,0,0,0,0|2,0,0]=3 297 B3R0.1 Cl/C=C\Cl MCULE-8638364223 [1,0,0,0,0,0|2,0,0]=3 298 B3R0.1 ClC=CCl MCULE-1709740532 [1,0,0,0,0,0|2,0,0]=3 299 B3R0.1 F/C=C/Cl MCULE-6748930384 [1,0,0,0,0,0|2,0,0]=3 300 B3R0.1 FC=CBr MCULE-3730796032 [1,0,0,0,0,0|2,0,0]=3 301 B3R0.1 FC=CCl MCULE-8668714110 [1,0,0,0,0,0|2,0,0]=3 302 B3R0.1 FC=CF MCULE-1668825245 [1,0,0,0,0,0|2,0,0]=3 303 B3R0.1 N/C=N/O MCULE-9567664507 [1,0,0,0,0,0|2,0,0]=3 304 B3R0.1 NCCO MCULE-5175116598 [1,0,0,0,0,0|1,0,2]=4 305 B3R0.1 NCCO MCULE-8624730373 [1,0,0,0,0,0|1,0,2]=4 306 B3R0.1 NNC=O MCULE-6986968107 [1,0,0,0,0,0|2,0,0]=3 307 B3R0.1 NOC=O MCULE-4489199776 [1,0,0,0,0,0|2,0,0]=3 308 B3R0.1 O=CC=O MCULE-3212938778 [1,0,0,0,0,0|0,0,0]=1 309 B3R0.1 O=CCBr MCULE-9076011270 [1,0,0,0,0,0|1,0,1]=3 310 B3R0.1 O=CCCl MCULE-7307216184 [1,0,0,0,0,0|1,0,1]=3 311 B3R0.1 O=CCI MCULE-1146810366 [1,0,0,0,0,0|1,0,1]=3 312 B3R0.1 OCCBr MCULE-5097256006 [1,0,0,0,0,0|1,0,2]=4 313 B3R0.1 OCCCl MCULE-5139580173 [1,0,0,0,0,0|1,0,2]=4 314 B3R0.1 OCCF MCULE-7590677201 [1,0,0,0,0,0|1,0,2]=4 315 B3R0.1 OCCI MCULE-8359750387 [1,0,0,0,0,0|1,0,2]=4 316 B3R0.1 OCCO MCULE-6366313128 [1,0,0,0,0,0|0,0,3]=4 317 B3R0.1 OCCS MCULE-2252943288 [1,0,0,0,0,0|0,1,2]=4 318 B3R0.2 C=C(C)Br MCULE-7805530064 [1,0,0,0,0,0|2,0,0]=3 319 B3R0.2 C=C(C)C MCULE-5640095130 [1,0,0,0,0,0|2,0,0]=3 320 B3R0.2 C=C(C)Cl MCULE-1752401095 [1,0,0,0,0,0|2,0,0]=3 321 B3R0.2 C=C(C)F MCULE-3213198231 [1,0,0,0,0,0|2,0,0]=3 322 B3R0.2 C=C(Cl)Cl MCULE-1430323756 [1,0,0,0,0,0|2,0,0]=3 323 B3R0.2 C=C(F)Cl MCULE-8528897253 [1,0,0,0,0,0|2,0,0]=3 324 B3R0.2 C=C(F)F MCULE-2471767745 [1,0,0,0,0,0|2,0,0]=3 325 B3R0.2 C=[N+](C)C MCULE-4450980212 [1,0,0,0,0,0|3,0,0]=4 326 B3R0.2 C=[N+](C)C MCULE-5309464837 [1,0,0,0,0,0|3,0,0]=4 327 B3R0.2 C=[N+](C)C MCULE-9321779445 [1,0,0,0,0,0|3,0,0]=4 328 B3R0.2 CB(O)O MCULE-3510763826 [1,0,0,0,0,0|1,0,2]=4 329 B3R0.2 CC(=N)N MCULE-3235425606 [1,0,0,0,0,0|2,0,1]=4 330 B3R0.2 CC(=N)N MCULE-3546679379 [1,0,0,0,0,0|2,0,1]=4 331 B3R0.2 CC(=N)N MCULE-3597638887 [1,0,0,0,0,0|2,0,1]=4 332 B3R0.2 CC(=N)N MCULE-9831274654 [1,0,0,0,0,0|2,0,1]=4 333 B3R0.2 CC(=O)Br MCULE-4892265063 [1,0,0,0,0,0|1,0,1]=3 334 B3R0.2 CC(=O)C MCULE-6679625040 [1,0,0,0,0,0|1,0,1]=3 335 B3R0.2 CC(=O)Cl MCULE-9041746362 [1,0,0,0,0,0|1,0,1]=3 336 B3R0.2 CC(=O)I MCULE-4812718701 [1,0,0,0,0,0|1,0,1]=3 337 B3R0.2 CC(=O)N MCULE-9280264861 [1,0,0,0,0,0|1,0,1]=3 338 B3R0.2 CC(=O)O MCULE-1502330578 [1,0,0,0,0,0|0,0,1]=2 339 B3R0.2 CC(=O)O MCULE-5514028500 [1,0,0,0,0,0|0,0,1]=2 340 B3R0.2 CC(=O)O MCULE-5942589566 [1,0,0,0,0,0|0,0,1]=2 341 B3R0.2 CC(=O)O MCULE-6780070129 [1,0,0,0,0,0|0,0,1]=2 342 B3R0.2 CC(=O)O MCULE-8295936189 [1,0,0,0,0,0|0,0,1]=2 343 B3R0.2 CC(=O)O MCULE-9103972283 [1,0,0,0,0,0|0,0,1]=2 344 B3R0.2 CC(=O)O MCULE-9900518424 [1,0,0,0,0,0|0,0,1]=2 345 B3R0.2 CC(=O)S MCULE-5769447035 [1,0,0,0,0,0|0,1,1]=3 346 B3R0.2 CC(=O)[O-] MCULE-2314460022 [1,0,0,0,0,0|0,0,2]=3 347 B3R0.2 CC(=O)[O-] MCULE-2960771771 [1,0,0,0,0,0|0,0,2]=3 348 B3R0.2 CC(=O)[O-] MCULE-5334052410 [1,0,0,0,0,0|0,0,2]=3 349 B3R0.2 CC(=O)[O-] MCULE-5482908386 [1,0,0,0,0,0|0,0,2]=3 350 B3R0.2 CC(=O)[O-] MCULE-9723570182 [1,0,0,0,0,0|0,0,2]=3 351 B3R0.2 CC(=O)[O-] MCULE-9910426896 [1,0,0,0,0,0|0,0,2]=3 352 B3R0.2 CC(=S)N MCULE-4635097605 [1,0,0,0,0,0|1,1,1]=4 353 B3R0.2 CC(=S)[O-] MCULE-1878530758 [1,0,0,0,0,0|0,1,2]=4 354 B3R0.2 CC(C)O MCULE-6646752234 [1,0,0,0,0,0|1,0,2]=4 355 B3R0.2 CN(=O)=O MCULE-8704524604 [1,0,0,0,0,0|2,0,0]=3 356 B3R0.2 CN(C)O MCULE-6572915706 [1,0,0,0,0,0|2,0,1]=4 357 B3R0.2 CN(C)O MCULE-6950647562 [1,0,0,0,0,0|2,0,1]=4 358 B3R0.2 CP(=O)C MCULE-6150886622 [1,0,0,0,0,0|2,0,1]=4 359 B3R0.2 CS(=O)C MCULE-2005841258 [1,0,0,0,0,0|2,0,1]=4 360 B3R0.2 CS(=O)Cl MCULE-1292201352 [1,0,0,0,0,0|2,0,1]=4 361 B3R0.2 CS(=O)N MCULE-5162949591 [1,0,0,0,0,0|2,0,1]=4 362 B3R0.2 CS(=O)O MCULE-8711306710 [1,0,0,0,0,0|1,0,1]=3 363 B3R0.2 CS(=O)[O-] MCULE-1437194827 [1,0,0,0,0,0|1,0,2]=4 364 B3R0.2 C[Se](=O)C MCULE-4596040471 [1,0,0,0,0,0|2,0,1]=4 365 B3R0.2 C[Se](=O)O MCULE-5568767851 [1,0,0,0,0,0|1,0,1]=3 366 B3R0.2 N=C(N)Cl MCULE-4764134011 [1,0,0,0,0,0|3,0,0]=4 367 B3R0.2 N=C(N)Cl MCULE-7852054677 [1,0,0,0,0,0|3,0,0]=4 368 B3R0.2 N=C(N)N MCULE-1152750770 [1,0,0,0,0,0|3,0,0]=4 369 B3R0.2 N=C(N)N MCULE-1411566696 [1,0,0,0,0,0|3,0,0]=4 370 B3R0.2 N=C(N)N MCULE-4266731066 [1,0,0,0,0,0|3,0,0]=4 371 B3R0.2 N=C(N)N MCULE-5921771392 [1,0,0,0,0,0|3,0,0]=4 372 B3R0.2 N=C(N)N MCULE-6036914599 [1,0,0,0,0,0|3,0,0]=4 373 B3R0.2 N=C(N)N MCULE-6164013415 [1,0,0,0,0,0|3,0,0]=4 374 B3R0.2 N=C(N)N MCULE-9649225484 [1,0,0,0,0,0|3,0,0]=4 375 B3R0.2 NC(=O)N MCULE-3224868954 [1,0,0,0,0,0|2,0,0]=3 376 B3R0.2 NC(=O)N MCULE-8513891094 [1,0,0,0,0,0|2,0,0]=3 377 B3R0.2 NC(=O)O MCULE-1579038047 [1,0,0,0,0,0|1,0,0]=2 378 B3R0.2 NC(=O)O MCULE-3232812015 [1,0,0,0,0,0|1,0,0]=2 379 B3R0.2 NC(=S)N MCULE-5046264236 [1,0,0,0,0,0|2,1,0]=4 380 B3R0.2 NC(=S)S MCULE-6182511253 [1,0,0,0,0,0|1,2,0]=4 381 B3R0.2 NC(=S)[S-] MCULE-1680327465 [1,0,0,0,0,0|1,2,0]=4 382 B3R0.2 NC(=[Se])N MCULE-3936244532 [1,0,0,0,0,0|2,1,0]=4 383 B3R0.2 O=C(Cl)[Au] MCULE-6601882022 [1,0,0,0,0,0|2,0,0]=3 384 B3R0.2 O=C(O)O MCULE-3743781291 [1,0,0,0,0,0|0,0,1]=2 385 B3R0.2 O=C(O)O MCULE-6373078171 [1,0,0,0,0,0|0,0,1]=2 386 B3R0.2 O=C([O-])O MCULE-5529655359 [1,0,0,0,0,0|0,0,1]=2 387 B3R0.2 O=C([O-])O MCULE-7293729150 [1,0,0,0,0,0|0,0,1]=2 388 B3R0.2 O=C([O-])[O-] MCULE-1092668330 [1,0,0,0,0,0|0,0,2]=3 389 B3R0.2 O=C([O-])[O-] MCULE-1095103800 [1,0,0,0,0,0|0,0,2]=3 390 B3R0.2 O=C([O-])[O-] MCULE-1597066471 [1,0,0,0,0,0|0,0,2]=3 391 B3R0.2 O=C([O-])[O-] MCULE-2005483457 [1,0,0,0,0,0|0,0,2]=3 392 B3R0.2 O=C([O-])[O-] MCULE-3299525070 [1,0,0,0,0,0|0,0,2]=3 393 B3R0.2 O=C([O-])[O-] MCULE-4074516840 [1,0,0,0,0,0|0,0,2]=3 394 B3R0.2 O=C([O-])[O-] MCULE-4180727513 [1,0,0,0,0,0|0,0,2]=3 395 B3R0.2 O=C([O-])[O-] MCULE-4294265087 [1,0,0,0,0,0|0,0,2]=3 396 B3R0.2 O=C([O-])[O-] MCULE-5127021441 [1,0,0,0,0,0|0,0,2]=3 397 B3R0.2 O=C([O-])[O-] MCULE-5345790821 [1,0,0,0,0,0|0,0,2]=3 398 B3R0.2 O=C([O-])[O-] MCULE-6214917073 [1,0,0,0,0,0|0,0,2]=3 399 B3R0.2 O=C([O-])[O-] MCULE-6757968396 [1,0,0,0,0,0|0,0,2]=3 400 B3R0.2 O=C([O-])[O-] MCULE-7714638074 [1,0,0,0,0,0|0,0,2]=3 401 B3R0.2 O=C([O-])[O-] MCULE-8731559807 [1,0,0,0,0,0|0,0,2]=3 402 B3R0.2 O=I(=O)O MCULE-6335954469 [1,0,0,0,0,0|1,0,0]=2 403 B3R0.2 O=I(=O)O MCULE-7906123102 [1,0,0,0,0,0|1,0,0]=2 404 B3R0.2 O=N(=O)=O MCULE-1959019189 [1,0,0,0,0,0|1,0,1]=3 405 B3R0.2 O=N(=O)=O MCULE-2708947237 [1,0,0,0,0,0|1,0,1]=3 406 B3R0.2 O=N(=O)=O MCULE-5271549027 [1,0,0,0,0,0|1,0,1]=3 407 B3R0.2 O=N(=O)=O MCULE-7854950179 [1,0,0,0,0,0|1,0,1]=3 408 B3R0.2 O=N(=O)=O MCULE-9135268225 [1,0,0,0,0,0|1,0,1]=3 409 B3R0.2 O=N(=O)O MCULE-5926867268 [1,0,0,0,0,0|1,0,0]=2 410 B3R0.2 O=N(=O)O MCULE-8501453871 [1,0,0,0,0,0|1,0,0]=2 411 B3R0.2 O=N(=O)[O-] MCULE-6774438996 [1,0,0,0,0,0|1,0,1]=3 412 B3R0.2 O=P(=O)O MCULE-3007887617 [1,0,0,0,0,0|1,0,0]=2 413 B3R0.2 O=P(=O)[O-] MCULE-1412944829 [1,0,0,0,0,0|1,0,1]=3 414 B3R0.2 O=P(=O)[O-] MCULE-4322560801 [1,0,0,0,0,0|1,0,1]=3 415 B3R0.2 O=P(=O)[O-] MCULE-6900289315 [1,0,0,0,0,0|1,0,1]=3 416 B3R0.2 O=P(O)O MCULE-8889145943 [1,0,0,0,0,0|1,0,1]=3 417 B3R0.2 O=P([O-])O MCULE-3773885400 [1,0,0,0,0,0|1,0,1]=3 418 B3R0.2 O=P([O-])O MCULE-6745348516 [1,0,0,0,0,0|1,0,1]=3 419 B3R0.2 O=S(=O)=O MCULE-3497956371 [1,0,0,0,0,0|1,0,1]=3 420 B3R0.2 O=S(=O)O MCULE-7070708516 [1,0,0,0,0,0|1,0,0]=2 421 B3R0.2 O=S(Br)Br MCULE-8128997630 [1,0,0,0,0,0|3,0,0]=4 422 B3R0.2 O=S(F)F MCULE-8893634369 [1,0,0,0,0,0|3,0,0]=4 423 B3R0.2 O=S(O)O MCULE-3188569799 [1,0,0,0,0,0|1,0,1]=3 424 B3R0.2 O=S(O)O MCULE-7812738469 [1,0,0,0,0,0|1,0,1]=3 425 B3R0.2 O=S([O-])[O-] MCULE-6510216426 [1,0,0,0,0,0|1,0,2]=4 426 B3R0.2 O=[Se](Cl)Cl MCULE-7426137156 [1,0,0,0,0,0|3,0,0]=4 427 B3R0.2 O=[Se](O)O MCULE-9081277469 [1,0,0,0,0,0|1,0,1]=3 428 B3R0.2 O=[Si](O)O MCULE-3228936275 [1,0,0,0,0,0|0,1,1]=3 429 B3R0.2 OB(O)O MCULE-2905906674 [1,0,0,0,0,0|1,0,2]=4 430 B3R0.2 OB(O)O MCULE-8095091838 [1,0,0,0,0,0|1,0,2]=4 431 B3R0.2 OP(O)O MCULE-9313199709 [1,0,0,0,0,0|1,0,2]=4 432 B3R0.2 S=C(Cl)Cl MCULE-2150830304 [1,0,0,0,0,0|2,1,0]=4 433 B3R0.2 [O-]P([O-])O MCULE-1307635620 [1,0,0,0,0,0|1,0,2]=4 434 B3R0.2 [O-]P([O-])O MCULE-4722745097 [1,0,0,0,0,0|1,0,2]=4 435 B5R0.1 C#CCC(=O)O MCULE-4680699666 [0,1,0,0,0,0|1,0,1]=3 436 B5R0.1 C/C(=C/C#N)/N MCULE-2195544039 [0,1,0,0,0,0|3,0,0]=4 437 B5R0.1 C/C(=C/CI)/I MCULE-4907089043 [0,1,0,0,0,0|3,0,0]=4 438 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [0,1,0,0,0,0|3,0,0]=4 439 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [0,1,0,0,0,0|3,0,0]=4 440 B5R0.1 C/C(=C\CCl)/Cl MCULE-6679259233 [0,1,0,0,0,0|3,0,0]=4 441 B5R0.1 C/C=C/B(O)O MCULE-6649221952 [0,1,0,0,0,0|2,0,1]=4 442 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [0,1,0,0,0,0|2,0,0]=3 443 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [0,1,0,0,0,0|2,0,0]=3 444 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [0,1,0,0,0,0|2,0,0]=3 445 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [0,1,0,0,0,0|1,0,0]=2 446 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [0,1,0,0,0,0|2,0,1]=4 447 B5R0.1 C/C=C\B(O)O MCULE-3000711987 [0,1,0,0,0,0|2,0,1]=4 448 B5R0.1 C=CC=C(C)C MCULE-7590870659 [0,1,0,0,0,0|3,0,0]=4 449 B5R0.1 C=CC=C(Cl)Cl MCULE-3787858961 [0,1,0,0,0,0|3,0,0]=4 450 B5R0.1 C=CCB(O)O MCULE-2306600658 [0,1,0,0,0,0|2,0,1]=4 451 B5R0.1 C=CCC(=C)C MCULE-6294070836 [0,1,0,0,0,0|3,0,0]=4 452 B5R0.1 C=CCC(=N)N MCULE-6305125234 [0,1,0,0,0,0|3,0,0]=4 453 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [0,1,0,0,0,0|2,0,0]=3 454 B5R0.1 C=CCC(=O)N MCULE-1205335257 [0,1,0,0,0,0|2,0,0]=3 455 B5R0.1 C=CCC(=O)O MCULE-6288979337 [0,1,0,0,0,0|1,0,0]=2 456 B5R0.1 C=CCC(C)O MCULE-7724200334 [0,1,0,0,0,0|2,0,1]=4 457 B5R0.1 C=CCC(C)O MCULE-9910771503 [0,1,0,0,0,0|2,0,1]=4 458 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [0,1,0,0,0,0|2,0,1]=4 459 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [0,1,0,0,0,0|2,0,1]=4 460 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [0,1,0,0,0,0|2,0,1]=4 461 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [0,1,0,0,0,0|2,0,1]=4 462 B5R0.1 C=CNC(=O)C MCULE-1260296806 [0,1,0,0,0,0|2,0,0]=3 463 B5R0.1 C=CNC(=O)N MCULE-4235216182 [0,1,0,0,0,0|2,0,0]=3 464 B5R0.1 C=COC(=O)C MCULE-7626795765 [0,1,0,0,0,0|2,0,0]=3 465 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [0,1,0,0,0,0|2,0,0]=3 466 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [0,1,0,0,0,0|1,0,1]=3 467 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,1,0,0,0,0|2,0,1]=4 468 B5R0.1 CC#CC(=O)C MCULE-4083248904 [0,1,0,0,0,0|2,0,1]=4 469 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [0,1,0,0,0,0|2,0,1]=4 470 B5R0.1 CC#CC(=O)O MCULE-9994142213 [0,1,0,0,0,0|1,0,1]=3 471 B5R0.1 CC(=CC#N)C MCULE-7179601066 [0,1,0,0,0,0|3,0,0]=4 472 B5R0.1 CC(=CC#N)N MCULE-7342293837 [0,1,0,0,0,0|3,0,0]=4 473 B5R0.1 CC(=CC=O)C MCULE-7002222435 [0,1,0,0,0,0|2,0,0]=3 474 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [0,1,0,0,0,0|2,0,0]=3 475 B5R0.1 CC(=CC=O)N MCULE-2659507627 [0,1,0,0,0,0|2,0,0]=3 476 B5R0.1 CC(=CCBr)C MCULE-7961276795 [0,1,0,0,0,0|3,0,0]=4 477 B5R0.1 CC(=CCCl)C MCULE-1110417103 [0,1,0,0,0,0|3,0,0]=4 478 B5R0.1 CC(=CCCl)Cl MCULE-9735045489 [0,1,0,0,0,0|3,0,0]=4 479 B5R0.1 CC(=CCI)I MCULE-4204968539 [0,1,0,0,0,0|3,0,0]=4 480 B5R0.1 CC(=CCN)C MCULE-7220252581 [0,1,0,0,0,0|3,0,0]=4 481 B5R0.1 CC(=CCN)C MCULE-8394581250 [0,1,0,0,0,0|3,0,0]=4 482 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [0,1,0,0,0,0|3,0,0]=4 483 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [0,1,0,0,0,0|3,0,0]=4 484 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,1,0,0,0,0|2,0,1]=4 485 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,1,0,0,0,0|2,0,1]=4 486 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,1,0,0,0,0|2,0,1]=4 487 B5R0.1 CC(=CCS)C MCULE-4180446913 [0,1,0,0,0,0|2,1,0]=4 488 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,1,0,0,0,0|1,0,1]=3 489 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,1,0,0,0,0|1,0,1]=3 490 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [0,1,0,0,0,0|1,0,0]=2 491 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,1,0,0,0,0|1,0,1]=3 492 B5R0.1 CC(=O)CC#N MCULE-7203242552 [0,1,0,0,0,0|2,0,1]=4 493 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,1,0,0,0,0|2,0,1]=4 494 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,1,0,0,0,0|2,0,1]=4 495 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,1,0,0,0,0|2,0,1]=4 496 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,1,0,0,0,0|2,0,1]=4 497 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,1,0,0,0,0|1,0,2]=4 498 B5R0.1 CC(=O)N=C=S MCULE-7540453687 [0,1,0,0,0,0|1,1,1]=4 499 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [0,1,0,0,0,0|2,0,0]=3 500 B5R0.1 CC(=O)NC#N MCULE-8444599659 [0,1,0,0,0,0|2,0,1]=4 501 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,1,0,0,0,0|1,0,2]=4 502 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,1,0,0,0,0|2,0,1]=4 503 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,1,0,0,0,0|2,0,1]=4 504 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,1,0,0,0,0|2,0,1]=4 505 B5R0.1 CC(C)CC=O MCULE-2939497534 [0,1,0,0,0,0|2,0,1]=4 506 B5R0.1 CC(C)NC=O MCULE-1764010394 [0,1,0,0,0,0|2,0,1]=4 507 B5R0.1 CC(C)OC=O MCULE-8263698122 [0,1,0,0,0,0|2,0,1]=4 508 B5R0.1 CC=CB(O)O MCULE-7417903348 [0,1,0,0,0,0|2,0,1]=4 509 B5R0.1 CC=CC(=O)C MCULE-4826977340 [0,1,0,0,0,0|2,0,0]=3 510 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [0,1,0,0,0,0|2,0,0]=3 511 B5R0.1 CC=CC(=O)N MCULE-9693879476 [0,1,0,0,0,0|2,0,0]=3 512 B5R0.1 CC=CC(=O)O MCULE-7970410217 [0,1,0,0,0,0|1,0,0]=2 513 B5R0.1 CC=CC(C)O MCULE-4806592836 [0,1,0,0,0,0|2,0,1]=4 514 B5R0.1 CC=C[N+](=O)[O-] MCULE-2987135481 [0,1,0,0,0,0|2,0,1]=4 515 B5R0.1 CCC=C(C)C MCULE-2405063894 [0,1,0,0,0,0|3,0,0]=4 516 B5R0.1 CCC=C(F)F MCULE-5180612061 [0,1,0,0,0,0|3,0,0]=4 517 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,1,0,0,0,0|2,0,1]=4 518 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,1,0,0,0,0|2,0,1]=4 519 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,1,0,0,0,0|2,0,1]=4 520 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,1,0,0,0,0|1,0,1]=3 521 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,1,0,0,0,0|1,0,2]=4 522 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,1,0,0,0,0|1,0,2]=4 523 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,1,0,0,0,0|1,1,1]=4 524 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,1,0,0,0,0|2,0,1]=4 525 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [0,1,0,0,0,0|2,0,1]=4 526 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,1,0,0,0,0|2,0,1]=4 527 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,1,0,0,0,0|2,0,1]=4 528 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [0,1,0,0,0,0|2,0,1]=4 529 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,1,0,0,0,0|2,0,1]=4 530 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,1,0,0,0,0|2,0,1]=4 531 B5R0.1 CN(C)CC=O MCULE-1229218563 [0,1,0,0,0,0|3,0,0]=4 532 B5R0.1 CN(C)CC=O MCULE-3577561950 [0,1,0,0,0,0|3,0,0]=4 533 B5R0.1 CN(C)CC=O MCULE-4493766862 [0,1,0,0,0,0|3,0,0]=4 534 B5R0.1 CN(C)CC=O MCULE-8123455398 [0,1,0,0,0,0|3,0,0]=4 535 B5R0.1 CN(C)NC=O MCULE-1557896286 [0,1,0,0,0,0|3,0,0]=4 536 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,1,0,0,0,0|2,0,1]=4 537 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,1,0,0,0,0|2,0,1]=4 538 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,1,0,0,0,0|2,0,1]=4 539 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,1,0,0,0,0|2,0,1]=4 540 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,1,0,0,0,0|2,0,1]=4 541 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,1,0,0,0,0|1,0,1]=3 542 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,1,0,0,0,0|1,0,1]=3 543 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,1,0,0,0,0|1,0,2]=4 544 B5R0.1 CNOC(=O)C MCULE-1464426541 [0,1,0,0,0,0|3,0,0]=4 545 B5R0.1 CNOC(=O)C MCULE-2976282666 [0,1,0,0,0,0|3,0,0]=4 546 B5R0.1 COC=C(C)C MCULE-6348538911 [0,1,0,0,0,0|2,0,1]=4 547 B5R0.1 COCC(=O)C MCULE-7262197587 [0,1,0,0,0,0|1,0,2]=4 548 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,1,0,0,0,0|1,0,2]=4 549 B5R0.1 COCC(=O)N MCULE-6674958132 [0,1,0,0,0,0|1,0,2]=4 550 B5R0.1 COCC(=O)O MCULE-3945589151 [0,1,0,0,0,0|0,0,2]=3 551 B5R0.1 CONC(=O)C MCULE-6601866630 [0,1,0,0,0,0|2,0,1]=4 552 B5R0.1 CONC(=O)N MCULE-3063713861 [0,1,0,0,0,0|2,0,1]=4 553 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,1,0,0,0,0|1,1,1]=4 554 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [0,1,0,0,0,0|1,1,1]=4 555 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,1,0,0,0,0|1,1,1]=4 556 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,1,0,0,0,0|0,1,1]=3 557 B5R0.1 CSNC(=O)C MCULE-7350061514 [0,1,0,0,0,0|2,1,0]=4 558 B5R0.1 ClC(=CCBr)Cl MCULE-5947456231 [0,1,0,0,0,0|3,0,0]=4 559 B5R0.1 ClCC=C(Cl)Cl MCULE-8294724084 [0,1,0,0,0,0|3,0,0]=4 560 B5R0.1 FC(=CCBr)F MCULE-1770710917 [0,1,0,0,0,0|3,0,0]=4 561 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [0,1,0,0,0,0|2,0,1]=4 562 B5R0.1 N#CCC(=O)N MCULE-8538286230 [0,1,0,0,0,0|2,0,1]=4 563 B5R0.1 N#CCC(=O)O MCULE-3440765061 [0,1,0,0,0,0|1,0,1]=3 564 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [0,1,0,0,0,0|1,0,2]=4 565 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [0,1,0,0,0,0|1,0,2]=4 566 B5R0.1 N=C(N)NC=O MCULE-2702198735 [0,1,0,0,0,0|2,0,0]=3 567 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [0,1,0,0,0,0|2,0,0]=3 568 B5R0.1 NC(=O)C=NO MCULE-6447662753 [0,1,0,0,0,0|1,0,1]=3 569 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,1,0,0,0,0|2,0,1]=4 570 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,1,0,0,0,0|2,0,1]=4 571 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,1,0,0,0,0|1,0,2]=4 572 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,1,0,0,0,0|1,1,1]=4 573 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,1,0,0,0,0|1,0,2]=4 574 B5R0.1 NC(=O)NN=O MCULE-2820469915 [0,1,0,0,0,0|2,0,0]=3 575 B5R0.1 NCC=C(Cl)Cl MCULE-6555955942 [0,1,0,0,0,0|3,0,0]=4 576 B5R0.1 NCC=C(Cl)Cl MCULE-9019653665 [0,1,0,0,0,0|3,0,0]=4 577 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,1,0,0,0,0|2,0,1]=4 578 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,1,0,0,0,0|2,0,1]=4 579 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,1,0,0,0,0|2,0,1]=4 580 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,1,0,0,0,0|1,0,1]=3 581 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,1,0,0,0,0|1,0,1]=3 582 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,1,0,0,0,0|1,0,1]=3 583 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,1,0,0,0,0|1,0,2]=4 584 B5R0.1 NCCP(=O)O MCULE-7093964616 [0,1,0,0,0,0|2,0,1]=4 585 B5R0.1 NCCS(=O)O MCULE-4372248641 [0,1,0,0,0,0|2,0,1]=4 586 B5R0.1 NNCC(=O)N MCULE-2794619708 [0,1,0,0,0,0|2,0,1]=4 587 B5R0.1 NNCC(=O)N MCULE-6773156087 [0,1,0,0,0,0|2,0,1]=4 588 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,1,0,0,0,0|1,0,1]=3 589 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,1,0,0,0,0|1,0,1]=3 590 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,1,0,0,0,0|0,0,2]=3 591 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,1,0,0,0,0|0,0,2]=3 592 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,1,0,0,0,0|0,0,2]=3 593 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [0,1,0,0,0,0|2,0,0]=3 594 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,1,0,0,0,0|2,0,1]=4 595 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [0,1,0,0,0,0|2,0,1]=4 596 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [0,1,0,0,0,0|2,0,1]=4 597 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [0,1,0,0,0,0|2,0,1]=4 598 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [0,1,0,0,0,0|1,0,0]=2 599 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [0,1,0,0,0,0|1,0,0]=2 600 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [0,1,0,0,0,0|1,0,0]=2 601 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [0,1,0,0,0,0|1,0,0]=2 602 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [0,1,0,0,0,0|1,0,0]=2 603 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [0,1,0,0,0,0|1,0,0]=2 604 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [0,1,0,0,0,0|0,0,1]=2 605 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [0,1,0,0,0,0|1,0,1]=3 606 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [0,1,0,0,0,0|1,0,0]=2 607 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [0,1,0,0,0,0|1,0,0]=2 608 B5R0.1 O=C(O)C=CI MCULE-7162332129 [0,1,0,0,0,0|1,0,0]=2 609 B5R0.1 O=C(O)C=NO MCULE-2039309679 [0,1,0,0,0,0|0,0,1]=2 610 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,1,0,0,0,0|1,0,1]=3 611 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,1,0,0,0,0|1,0,1]=3 612 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,1,0,0,0,0|1,0,1]=3 613 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,1,0,0,0,0|1,0,1]=3 614 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,1,0,0,0,0|0,0,2]=3 615 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,1,0,0,0,0|0,1,1]=3 616 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,1,0,0,0,0|0,0,2]=3 617 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [0,1,0,0,0,0|0,0,3]=4 618 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [0,1,0,0,0,0|0,0,3]=4 619 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [0,1,0,0,0,0|1,0,1]=3 620 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,1,0,0,0,0|0,0,3]=4 621 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [0,1,0,0,0,0|2,0,1]=4 622 B5R0.1 P(=O)(O)C=C=C MCULE-4922910477 [0,1,0,0,0,0|2,0,0]=3 623 B5R0.3 C#CC(=O)CC MCULE-1563732373 [0,1,0,0,0,0|2,0,1]=4 624 B5R0.3 C#CC(=O)NC MCULE-8852565705 [0,1,0,0,0,0|2,0,1]=4 625 B5R0.3 C#CC(=O)OC MCULE-5108326717 [0,1,0,0,0,0|1,0,1]=3 626 B5R0.3 C#CC(O)C=C MCULE-5849420618 [0,1,0,0,0,0|2,0,1]=4 627 B5R0.3 C/C(=C\Br)/C#N MCULE-5132213304 [0,1,0,0,0,0|3,0,0]=4 628 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [0,1,0,0,0,0|2,0,0]=3 629 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [0,1,0,0,0,0|3,0,0]=4 630 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [0,1,0,0,0,0|2,0,0]=3 631 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [0,1,0,0,0,0|3,0,0]=4 632 B5R0.3 C=C(C#N)CO MCULE-4330549804 [0,1,0,0,0,0|2,0,1]=4 633 B5R0.3 C=C(C=O)CC MCULE-2875154067 [0,1,0,0,0,0|2,0,0]=3 634 B5R0.3 C=C(CC)CO MCULE-8127766352 [0,1,0,0,0,0|2,0,1]=4 635 B5R0.3 C=C(CO)CBr MCULE-9563589949 [0,1,0,0,0,0|2,0,1]=4 636 B5R0.3 C=C(CO)CO MCULE-2682601949 [0,1,0,0,0,0|1,0,2]=4 637 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [0,1,0,0,0,0|3,0,0]=4 638 B5R0.3 C=CC(=CC)C MCULE-8585683674 [0,1,0,0,0,0|3,0,0]=4 639 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [0,1,0,0,0,0|2,0,0]=3 640 B5R0.3 C=CC(=O)CC MCULE-7277696617 [0,1,0,0,0,0|2,0,0]=3 641 B5R0.3 C=CC(=O)NC MCULE-5619481947 [0,1,0,0,0,0|2,0,0]=3 642 B5R0.3 C=CC(=O)NN MCULE-4327484127 [0,1,0,0,0,0|2,0,0]=3 643 B5R0.3 C=CC(=O)NN MCULE-4961696321 [0,1,0,0,0,0|2,0,0]=3 644 B5R0.3 C=CC(=O)NO MCULE-9528737042 [0,1,0,0,0,0|1,0,0]=2 645 B5R0.3 C=CC(=O)OC MCULE-6010665978 [0,1,0,0,0,0|1,0,0]=2 646 B5R0.3 C=CC(C)ON MCULE-2385478473 [0,1,0,0,0,0|2,0,1]=4 647 B5R0.3 C=CC(C)ON MCULE-3428023923 [0,1,0,0,0,0|2,0,1]=4 648 B5R0.3 C=CC(N)CO MCULE-2457433196 [0,1,0,0,0,0|2,0,1]=4 649 B5R0.3 C=CC(N)CO MCULE-6697949182 [0,1,0,0,0,0|2,0,1]=4 650 B5R0.3 C=CC(N)CO MCULE-7137123222 [0,1,0,0,0,0|2,0,1]=4 651 B5R0.3 C=CC(N)CO MCULE-8388687355 [0,1,0,0,0,0|2,0,1]=4 652 B5R0.3 C=CC(O)C#N MCULE-2341615846 [0,1,0,0,0,0|2,0,1]=4 653 B5R0.3 C=CC(O)C=C MCULE-7283842025 [0,1,0,0,0,0|2,0,1]=4 654 B5R0.3 C=CC(O)CBr MCULE-3538023814 [0,1,0,0,0,0|2,0,1]=4 655 B5R0.3 C=CC(O)CC MCULE-2794806228 [0,1,0,0,0,0|2,0,1]=4 656 B5R0.3 C=CC(O)CN MCULE-3472823475 [0,1,0,0,0,0|2,0,1]=4 657 B5R0.3 C=CC(O)CO MCULE-6172654550 [0,1,0,0,0,0|1,0,2]=4 658 B5R0.3 C=CS(=O)C=C MCULE-5650907653 [0,1,0,0,0,0|3,0,0]=4 659 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [0,1,0,0,0,0|2,0,1]=4 660 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [0,1,0,0,0,0|2,0,1]=4 661 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [0,1,0,0,0,0|2,0,1]=4 662 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [0,1,0,0,0,0|2,0,1]=4 663 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [0,1,0,0,0,0|1,0,2]=4 664 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [0,1,0,0,0,0|2,0,1]=4 665 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [0,1,0,0,0,0|2,0,1]=4 666 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [0,1,0,0,0,0|2,0,1]=4 667 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [0,1,0,0,0,0|2,0,1]=4 668 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [0,1,0,0,0,0|1,0,2]=4 669 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [0,1,0,0,0,0|1,0,2]=4 670 B5R0.3 CC(=CBr)C#N MCULE-9263455697 [0,1,0,0,0,0|3,0,0]=4 671 B5R0.3 CC(=CCl)CCl MCULE-2732105685 [0,1,0,0,0,0|3,0,0]=4 672 B5R0.3 CC(=CI)CI MCULE-3347686188 [0,1,0,0,0,0|3,0,0]=4 673 B5R0.3 CC(=CI)CO MCULE-8491569199 [0,1,0,0,0,0|2,0,0]=3 674 B5R0.3 CC(=CN)C=O MCULE-5507488903 [0,1,0,0,0,0|2,0,0]=3 675 B5R0.3 CC(=NO)CS MCULE-9694340512 [0,1,0,0,0,0|1,1,1]=4 676 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [0,1,0,0,0,0|2,0,1]=4 677 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [0,1,0,0,0,0|2,0,1]=4 678 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [0,1,0,0,0,0|2,0,1]=4 679 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [0,1,0,0,0,0|2,0,0]=3 680 B5R0.3 CC=C(C)C#N MCULE-4009455127 [0,1,0,0,0,0|3,0,0]=4 681 B5R0.3 CC=C(C)C=O MCULE-9453566957 [0,1,0,0,0,0|2,0,0]=3 682 B5R0.3 CC=C(C)CC MCULE-5790494157 [0,1,0,0,0,0|3,0,0]=4 683 B5R0.3 CC=C(C)CCl MCULE-2444762050 [0,1,0,0,0,0|3,0,0]=4 684 B5R0.3 CCC(=N)OC MCULE-4123543795 [0,1,0,0,0,0|2,0,1]=4 685 B5R0.3 CCC(=N)OC MCULE-5346320805 [0,1,0,0,0,0|2,0,1]=4 686 B5R0.3 CCC(=NO)C MCULE-1859652505 [0,1,0,0,0,0|2,0,1]=4 687 B5R0.3 CCC(=O)CBr MCULE-7825573294 [0,1,0,0,0,0|2,0,1]=4 688 B5R0.3 CCC(=O)CC MCULE-8236549739 [0,1,0,0,0,0|2,0,1]=4 689 B5R0.3 CCC(=O)CCl MCULE-9019890380 [0,1,0,0,0,0|2,0,1]=4 690 B5R0.3 CCC(=O)CN MCULE-1863418812 [0,1,0,0,0,0|2,0,1]=4 691 B5R0.3 CCC(=O)CN MCULE-5831164340 [0,1,0,0,0,0|2,0,1]=4 692 B5R0.3 CCC(=O)CO MCULE-8674894820 [0,1,0,0,0,0|1,0,1]=3 693 B5R0.3 CCC(=O)NC MCULE-5612060170 [0,1,0,0,0,0|2,0,1]=4 694 B5R0.3 CCC(=O)NN MCULE-1803705917 [0,1,0,0,0,0|2,0,1]=4 695 B5R0.3 CCC(=O)NO MCULE-1033164448 [0,1,0,0,0,0|1,0,1]=3 696 B5R0.3 CCC(=O)OC MCULE-7384824725 [0,1,0,0,0,0|1,0,1]=3 697 B5R0.3 CCC(=O)SC MCULE-9712192191 [0,1,0,0,0,0|1,1,1]=4 698 B5R0.3 CCC(Br)C=O MCULE-3064952987 [0,1,0,0,0,0|2,0,1]=4 699 B5R0.3 CCC(C)C=O MCULE-2523669899 [0,1,0,0,0,0|2,0,1]=4 700 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [0,1,0,0,0,0|2,0,1]=4 701 B5R0.3 CCN(C)C=O MCULE-2308681384 [0,1,0,0,0,0|3,0,0]=4 702 B5R0.3 CN(C=O)C=O MCULE-7774435044 [0,1,0,0,0,0|2,0,0]=3 703 B5R0.3 CNC(=N)CO MCULE-3239749882 [0,1,0,0,0,0|3,0,0]=4 704 B5R0.3 CNC(=O)CBr MCULE-1439209307 [0,1,0,0,0,0|2,0,1]=4 705 B5R0.3 CNC(=O)CCl MCULE-1437904095 [0,1,0,0,0,0|2,0,1]=4 706 B5R0.3 CNC(=O)CI MCULE-1687694185 [0,1,0,0,0,0|2,0,1]=4 707 B5R0.3 CNC(=O)CN MCULE-1901033297 [0,1,0,0,0,0|2,0,1]=4 708 B5R0.3 CNC(=O)CN MCULE-8532774234 [0,1,0,0,0,0|2,0,1]=4 709 B5R0.3 CNC(=O)CO MCULE-5899226107 [0,1,0,0,0,0|2,0,0]=3 710 B5R0.3 CNC(=O)CS MCULE-7032391129 [0,1,0,0,0,0|1,1,1]=4 711 B5R0.3 CNC(=O)NC MCULE-5319497155 [0,1,0,0,0,0|3,0,0]=4 712 B5R0.3 CNC(=O)NN MCULE-2093843774 [0,1,0,0,0,0|3,0,0]=4 713 B5R0.3 CNC(=O)OC MCULE-1162861376 [0,1,0,0,0,0|2,0,0]=3 714 B5R0.3 COC(=N)CCl MCULE-2713131753 [0,1,0,0,0,0|2,0,1]=4 715 B5R0.3 COC(=N)CCl MCULE-6471252676 [0,1,0,0,0,0|2,0,1]=4 716 B5R0.3 COC(=O)C#N MCULE-8762838190 [0,1,0,0,0,0|1,0,1]=3 717 B5R0.3 COC(=O)C=O MCULE-2685327079 [0,1,0,0,0,0|0,0,0]=1 718 B5R0.3 COC(=O)CBr MCULE-2684954408 [0,1,0,0,0,0|1,0,1]=3 719 B5R0.3 COC(=O)CCl MCULE-5886832940 [0,1,0,0,0,0|1,0,1]=3 720 B5R0.3 COC(=O)CF MCULE-4367430175 [0,1,0,0,0,0|1,0,1]=3 721 B5R0.3 COC(=O)CI MCULE-9545584156 [0,1,0,0,0,0|1,0,1]=3 722 B5R0.3 COC(=O)CN MCULE-7462799100 [0,1,0,0,0,0|1,0,1]=3 723 B5R0.3 COC(=O)CN MCULE-8887061469 [0,1,0,0,0,0|1,0,1]=3 724 B5R0.3 COC(=O)CO MCULE-8734582763 [0,1,0,0,0,0|0,0,2]=3 725 B5R0.3 COC(=O)CS MCULE-3020830180 [0,1,0,0,0,0|0,1,1]=3 726 B5R0.3 COC(=O)NN MCULE-2637794839 [0,1,0,0,0,0|2,0,0]=3 727 B5R0.3 COC(=O)OC MCULE-7488725621 [0,1,0,0,0,0|2,0,0]=3 728 B5R0.3 COC(=O)SCl MCULE-1018411491 [0,1,0,0,0,0|2,0,0]=3 729 B5R0.3 COC(=S)NN MCULE-8717505617 [0,1,0,0,0,0|2,1,0]=4 730 B5R0.3 COC(=S)SC MCULE-7665194168 [0,1,0,0,0,0|2,1,0]=4 731 B5R0.3 CON(C)C=O MCULE-6743121315 [0,1,0,0,0,0|2,0,0]=3 732 B5R0.3 COS(=O)OC MCULE-9352053920 [0,1,0,0,0,0|3,0,0]=4 733 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [0,1,0,0,0,0|3,0,0]=4 734 B5R0.3 CSC(=NO)C MCULE-1500524467 [0,1,0,0,0,0|3,0,0]=4 735 B5R0.3 CSC(=O)SC MCULE-7167992573 [0,1,0,0,0,0|2,1,0]=4 736 B5R0.3 Cl/C=C(\Cl)/CCl MCULE-8945457634 [0,1,0,0,0,0|3,0,0]=4 737 B5R0.3 ClC=C(Cl)CCl MCULE-5187224514 [0,1,0,0,0,0|3,0,0]=4 738 B5R0.3 N#CC(Br)C=O MCULE-3951653048 [0,1,0,0,0,0|2,0,1]=4 739 B5R0.3 N#CC(Cl)C=O MCULE-3516957476 [0,1,0,0,0,0|2,0,1]=4 740 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [0,1,0,0,0,0|2,0,1]=4 741 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [0,1,0,0,0,0|1,0,2]=4 742 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [0,1,0,0,0,0|2,0,1]=4 743 B5R0.3 N=C(NN)NO MCULE-6419110297 [0,1,0,0,0,0|3,0,0]=4 744 B5R0.3 NCC(=O)CN MCULE-2420991481 [0,1,0,0,0,0|2,0,1]=4 745 B5R0.3 NCC(=O)CN MCULE-8626789745 [0,1,0,0,0,0|2,0,1]=4 746 B5R0.3 NCC(=O)NN MCULE-2318099199 [0,1,0,0,0,0|2,0,1]=4 747 B5R0.3 NCC(=O)NN MCULE-3392354502 [0,1,0,0,0,0|2,0,1]=4 748 B5R0.3 NCC(=O)NO MCULE-5417617455 [0,1,0,0,0,0|1,0,1]=3 749 B5R0.3 NNC(=O)CCl MCULE-2158347473 [0,1,0,0,0,0|2,0,1]=4 750 B5R0.3 NNC(=O)CCl MCULE-9762553206 [0,1,0,0,0,0|2,0,1]=4 751 B5R0.3 NNC(=O)CO MCULE-8443636349 [0,1,0,0,0,0|2,0,0]=3 752 B5R0.3 NNC(=O)CS MCULE-4913925166 [0,1,0,0,0,0|1,1,1]=4 753 B5R0.3 NNC(=O)NN MCULE-8522412568 [0,1,0,0,0,0|3,0,0]=4 754 B5R0.3 NNC(=O)NO MCULE-7106168898 [0,1,0,0,0,0|2,0,0]=3 755 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [0,1,0,0,0,0|2,0,1]=4 756 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [0,1,0,0,0,0|2,0,1]=4 757 B5R0.3 O=C(CF)CF MCULE-8790300272 [0,1,0,0,0,0|2,0,1]=4 758 B5R0.3 O=C(CO)CO MCULE-7188810449 [0,1,0,0,0,0|0,0,2]=3 759 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [0,1,0,0,0,0|1,0,0]=2 760 B5R0.3 O=CC(=C[O-])F MCULE-8068241665 [0,1,0,0,0,0|1,0,1]=3 761 B5R0.3 O=CC(=C[O-])F MCULE-9099292239 [0,1,0,0,0,0|1,0,1]=3 762 B5R0.3 O=CC(=O)CO MCULE-7273475675 [0,1,0,0,0,0|0,0,0]=1 763 B5R0.3 O=CC(Br)C=O MCULE-4387864308 [0,1,0,0,0,0|1,0,1]=3 764 B5R0.3 O=CC(Cl)C=O MCULE-4927811862 [0,1,0,0,0,0|1,0,1]=3 765 B5R0.3 O=CC(O)CO MCULE-9581740191 [0,1,0,0,0,0|0,0,2]=3 766 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [0,1,0,0,0,0|0,0,2]=3 767 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [0,1,0,0,0,0|0,0,2]=3 768 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [0,1,0,0,0,0|0,0,2]=3 769 B5R0.3 P(=O)(OC)OC MCULE-7918891029 [0,1,0,0,0,0|3,0,0]=4 770 B5R0.4 C=CC(C)(C)O MCULE-5809739830 [0,1,0,0,0,0|2,0,1]=4 771 B5R0.4 C=CP(=O)(O)O MCULE-3783505051 [0,1,0,0,0,0|2,0,0]=3 772 B5R0.4 C=CS(=O)(=O)C MCULE-9709633620 [0,1,0,0,0,0|2,0,1]=4 773 B5R0.4 C=CS(=O)(=O)Cl MCULE-9752322572 [0,1,0,0,0,0|2,0,1]=4 774 B5R0.4 C=CS(=O)(=O)F MCULE-6614982622 [0,1,0,0,0,0|2,0,1]=4 775 B5R0.4 C=CS(=O)(=O)N MCULE-7350624756 [0,1,0,0,0,0|2,0,1]=4 776 B5R0.4 C=CS(=O)(=O)O MCULE-2196938026 [0,1,0,0,0,0|2,0,0]=3 777 B5R0.4 C=CS(=O)(=O)[O-] MCULE-8568044801 [0,1,0,0,0,0|2,0,1]=4 778 B5R0.4 CC(C)(Br)C=O MCULE-8695321251 [0,1,0,0,0,0|2,0,1]=4 779 B5R0.4 CC(C)(C)C=O MCULE-6866358966 [0,1,0,0,0,0|2,0,1]=4 780 B5R0.4 CC(C)(F)C=O MCULE-4323838362 [0,1,0,0,0,0|2,0,1]=4 781 B5R0.4 CC(C)(O)C=O MCULE-2581637282 [0,1,0,0,0,0|1,0,1]=3 782 B5R0.4 CCP(=O)(O)O MCULE-5185791919 [0,1,0,0,0,0|2,0,1]=4 783 B5R0.4 CCS(=O)(=O)O MCULE-4408374633 [0,1,0,0,0,0|2,0,1]=4 784 B5R0.4 CCS(=O)(=S)O MCULE-3229359913 [0,1,0,0,0,0|2,0,1]=4 785 B5R0.4 CNS(=O)(=O)O MCULE-7257326709 [0,1,0,0,0,0|3,0,0]=4 786 B5R0.4 COP(=O)(O)O MCULE-8832075019 [0,1,0,0,0,0|3,0,0]=4 787 B5R0.4 COS(=O)(=O)O MCULE-7245694496 [0,1,0,0,0,0|3,0,0]=4 788 B5R0.4 NCP(=O)(O)O MCULE-5036947233 [0,1,0,0,0,0|2,0,1]=4 789 B5R0.4 NCS(=O)(=O)O MCULE-2178285528 [0,1,0,0,0,0|2,0,1]=4 790 B5R0.4 NOS(=O)(=O)O MCULE-4655259886 [0,1,0,0,0,0|3,0,0]=4 791 B5R0.4 O=CC(Br)(Br)Br MCULE-5990521436 [0,1,0,0,0,0|2,0,1]=4 792 B5R0.4 O=CC(Cl)(Cl)Cl MCULE-5840193226 [0,1,0,0,0,0|2,0,1]=4 793 B5R0.4 O=CC(F)(F)F MCULE-4938131324 [0,1,0,0,0,0|2,0,1]=4 794 B5R0.4 O=P(O)(O)CCl MCULE-3749129481 [0,1,0,0,0,0|2,0,1]=4 795 B5R0.4 O=P(O)(O)CO MCULE-9997097349 [0,1,0,0,0,0|1,0,2]=4 796 B5R0.4 O=S(=O)(O)CBr MCULE-7461723318 [0,1,0,0,0,0|2,0,1]=4 797 B5R0.4 O=S(=O)(O)CCl MCULE-4274838804 [0,1,0,0,0,0|2,0,1]=4 798 B5R0.4 O=S(=O)(O)CO MCULE-9647441782 [0,1,0,0,0,0|1,0,2]=4 799 B5R0.5 BrC(=C(Br)Br)Br MCULE-2234969188 [0,1,0,0,0,0|3,0,0]=4 800 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,1,0,0,0,0|1,0,0]=2 801 B5R0.5 C=C(C)B(O)O MCULE-1381151629 [0,1,0,0,0,0|2,0,1]=4 802 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [0,1,0,0,0,0|3,0,0]=4 803 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,1,0,0,0,0|2,0,0]=3 804 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,1,0,0,0,0|2,0,0]=3 805 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,1,0,0,0,0|2,0,0]=3 806 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,1,0,0,0,0|1,0,0]=2 807 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,1,0,0,0,0|1,0,1]=3 808 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,1,0,0,0,0|1,0,1]=3 809 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,1,0,0,0,0|1,0,1]=3 810 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,1,0,0,0,0|2,0,1]=4 811 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,1,0,0,0,0|1,0,0]=2 812 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [0,1,0,0,0,0|2,0,0]=3 813 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,1,0,0,0,0|1,0,0]=2 814 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [0,1,0,0,0,0|1,0,1]=3 815 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [0,1,0,0,0,0|3,0,0]=4 816 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [0,1,0,0,0,0|3,0,0]=4 817 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,1,0,0,0,0|1,0,0]=2 818 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,1,0,0,0,0|1,0,0]=2 819 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,1,0,0,0,0|1,0,0]=2 820 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,1,0,0,0,0|0,0,0]=1 821 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,1,0,0,0,0|0,0,1]=2 822 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,1,0,0,0,0|0,0,1]=2 823 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,1,0,0,0,0|0,0,1]=2 824 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [0,1,0,0,0,0|1,1,0]=3 825 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,1,0,0,0,0|2,0,1]=4 826 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,1,0,0,0,0|2,0,1]=4 827 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,1,0,0,0,0|2,0,1]=4 828 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,1,0,0,0,0|2,0,1]=4 829 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,1,0,0,0,0|2,0,1]=4 830 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,1,0,0,0,0|2,0,1]=4 831 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,1,0,0,0,0|1,0,1]=3 832 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,1,0,0,0,0|1,1,1]=4 833 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [0,1,0,0,0,0|2,0,1]=4 834 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [0,1,0,0,0,0|2,0,1]=4 835 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,1,0,0,0,0|3,0,0]=4 836 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,1,0,0,0,0|3,0,0]=4 837 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,1,0,0,0,0|2,0,1]=4 838 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,1,0,0,0,0|2,0,1]=4 839 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,1,0,0,0,0|2,0,1]=4 840 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,1,0,0,0,0|2,0,1]=4 841 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [0,1,0,0,0,0|2,0,1]=4 842 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [0,1,0,0,0,0|2,0,1]=4 843 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,1,0,0,0,0|2,0,1]=4 844 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,1,0,0,0,0|1,0,1]=3 845 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,1,0,0,0,0|1,0,1]=3 846 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [0,1,0,0,0,0|2,0,1]=4 847 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [0,1,0,0,0,0|2,0,1]=4 848 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,1,0,0,0,0|2,0,1]=4 849 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,1,0,0,0,0|1,0,1]=3 850 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [0,1,0,0,0,0|1,1,1]=4 851 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [0,1,0,0,0,0|2,0,1]=4 852 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [0,1,0,0,0,0|2,0,1]=4 853 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,1,0,0,0,0|2,0,1]=4 854 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,1,0,0,0,0|1,0,1]=3 855 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,1,0,0,0,0|1,0,1]=3 856 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,1,0,0,0,0|1,0,1]=3 857 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,1,0,0,0,0|2,0,1]=4 858 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,1,0,0,0,0|2,0,1]=4 859 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,1,0,0,0,0|2,0,1]=4 860 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,1,0,0,0,0|2,0,1]=4 861 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,1,0,0,0,0|2,0,1]=4 862 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,1,0,0,0,0|2,0,1]=4 863 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,1,0,0,0,0|2,0,1]=4 864 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,1,0,0,0,0|1,0,1]=3 865 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,1,0,0,0,0|1,0,1]=3 866 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,1,0,0,0,0|1,0,1]=3 867 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,1,0,0,0,0|1,0,1]=3 868 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,1,0,0,0,0|2,0,1]=4 869 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,1,0,0,0,0|2,0,1]=4 870 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,1,0,0,0,0|1,0,1]=3 871 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,1,0,0,0,0|1,0,1]=3 872 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,1,0,0,0,0|0,0,2]=3 873 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,1,0,0,0,0|0,0,2]=3 874 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,1,0,0,0,0|1,0,1]=3 875 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,1,0,0,0,0|1,0,1]=3 876 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,1,0,0,0,0|1,0,1]=3 877 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,1,0,0,0,0|1,1,1]=4 878 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,1,0,0,0,0|0,1,1]=3 879 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [0,1,0,0,0,0|3,0,0]=4 880 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,1,0,0,0,0|3,0,0]=4 881 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,1,0,0,0,0|2,0,0]=3 882 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [0,1,0,0,0,0|2,0,1]=4 883 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,1,0,0,0,0|3,0,0]=4 884 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,1,0,0,0,0|1,0,1]=3 885 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,1,0,0,0,0|1,0,1]=3 886 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [0,1,0,0,0,0|2,0,1]=4 887 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,1,0,0,0,0|1,0,1]=3 888 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,1,0,0,0,0|1,0,1]=3 889 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,1,0,0,0,0|2,0,1]=4 890 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,1,0,0,0,0|2,0,1]=4 891 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,1,0,0,0,0|2,0,1]=4 892 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,1,0,0,0,0|2,0,1]=4 893 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,1,0,0,0,0|2,0,1]=4 894 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,1,0,0,0,0|1,0,1]=3 895 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,1,0,0,0,0|1,0,1]=3 896 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,1,0,0,0,0|2,0,1]=4 897 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,1,0,0,0,0|2,0,1]=4 898 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,1,0,0,0,0|2,0,1]=4 899 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,1,0,0,0,0|2,0,1]=4 900 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,1,0,0,0,0|1,0,1]=3 901 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,1,0,0,0,0|1,0,1]=3 902 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,1,0,0,0,0|0,0,2]=3 903 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,1,0,0,0,0|0,0,2]=3 904 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,1,0,0,0,0|1,0,1]=3 905 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,1,0,0,0,0|1,0,1]=3 906 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,1,0,0,0,0|1,0,1]=3 907 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [0,1,0,0,0,0|2,0,1]=4 908 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,1,0,0,0,0|1,0,1]=3 909 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,1,0,0,0,0|1,0,1]=3 910 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,1,0,0,0,0|1,0,1]=3 911 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,1,0,0,0,0|1,0,1]=3 912 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,1,0,0,0,0|2,0,1]=4 913 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,1,0,0,0,0|2,0,1]=4 914 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,1,0,0,0,0|2,0,1]=4 915 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,1,0,0,0,0|2,0,1]=4 916 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,1,0,0,0,0|2,0,1]=4 917 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,1,0,0,0,0|2,0,1]=4 918 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,1,0,0,0,0|2,0,1]=4 919 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,1,0,0,0,0|2,0,1]=4 920 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,1,0,0,0,0|2,0,1]=4 921 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,1,0,0,0,0|1,0,1]=3 922 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,1,0,0,0,0|1,0,1]=3 923 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,1,0,0,0,0|1,0,1]=3 924 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,1,0,0,0,0|1,0,1]=3 925 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,1,0,0,0,0|1,0,1]=3 926 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,1,0,0,0,0|0,0,2]=3 927 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,1,0,0,0,0|0,0,2]=3 928 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,1,0,0,0,0|1,0,1]=3 929 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,1,0,0,0,0|1,0,1]=3 930 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,1,0,0,0,0|1,0,1]=3 931 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,1,0,0,0,0|1,0,1]=3 932 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,1,0,0,0,0|1,0,1]=3 933 B5R0.5 ClC(=C(Cl)Cl)Cl MCULE-3770837074 [0,1,0,0,0,0|3,0,0]=4 934 B5R0.5 FC(=C(Br)Br)F MCULE-6247552222 [0,1,0,0,0,0|3,0,0]=4 935 B5R0.5 FC(=C(Cl)Br)F MCULE-3640863998 [0,1,0,0,0,0|3,0,0]=4 936 B5R0.5 FC(=C(Cl)Cl)Cl MCULE-1105750110 [0,1,0,0,0,0|3,0,0]=4 937 B5R0.5 FC(=C(Cl)Cl)F MCULE-9255334051 [0,1,0,0,0,0|3,0,0]=4 938 B5R0.5 FC(=C(F)Br)Br MCULE-3490723756 [0,1,0,0,0,0|3,0,0]=4 939 B5R0.5 FC(=C(F)Cl)F MCULE-2431934098 [0,1,0,0,0,0|3,0,0]=4 940 B5R0.5 FC(=C(F)I)F MCULE-8120152416 [0,1,0,0,0,0|3,0,0]=4 941 B5R0.5 IC(=C(I)I)I MCULE-1209006503 [0,1,0,0,0,0|3,0,0]=4 942 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [0,1,0,0,0,0|2,0,0]=3 943 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [0,1,0,0,0,0|1,0,0]=2 944 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,1,0,0,0,0|0,0,0]=1 945 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [0,1,0,0,0,0|0,0,1]=2 946 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [0,1,0,0,0,0|0,0,1]=2 947 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [0,1,0,0,0,0|2,0,1]=4 948 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [0,1,0,0,0,0|2,0,1]=4 949 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [0,1,0,0,0,0|2,0,1]=4 950 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [0,1,0,0,0,0|2,0,1]=4 951 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [0,1,0,0,0,0|2,0,1]=4 952 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [0,1,0,0,0,0|2,0,1]=4 953 B5R0.5 NC(=S)C(=S)N MCULE-3109255800 [0,1,0,0,0,0|1,2,0]=4 954 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,1,0,0,0,0|0,0,2]=3 955 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [0,1,0,0,0,0|1,0,0]=2 956 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [0,1,0,0,0,0|1,0,0]=2 957 B5R0.5 O=C(Cl)C(Cl)Cl MCULE-2883143305 [0,1,0,0,0,0|2,0,1]=4 958 B5R0.5 O=C(Cl)C(F)Cl MCULE-1579940277 [0,1,0,0,0,0|2,0,1]=4 959 B5R0.5 O=C(Cl)C(F)F MCULE-6700400389 [0,1,0,0,0,0|2,0,1]=4 960 B5R0.5 O=C(F)C(F)F MCULE-6722746663 [0,1,0,0,0,0|2,0,1]=4 961 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,1,0,0,0,0|0,0,0]=1 962 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,1,0,0,0,0|0,0,0]=1 963 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,1,0,0,0,0|0,0,0]=1 964 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,1,0,0,0,0|0,0,0]=1 965 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,1,0,0,0,0|0,0,0]=1 966 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,1,0,0,0,0|0,0,0]=1 967 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,1,0,0,0,0|0,0,0]=1 968 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,1,0,0,0,0|0,0,0]=1 969 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,1,0,0,0,0|0,0,0]=1 970 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,1,0,0,0,0|0,0,0]=1 971 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,1,0,0,0,0|0,0,0]=1 972 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,1,0,0,0,0|1,0,1]=3 973 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,1,0,0,0,0|1,0,1]=3 974 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,1,0,0,0,0|1,0,1]=3 975 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,1,0,0,0,0|1,0,1]=3 976 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,1,0,0,0,0|1,0,1]=3 977 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,1,0,0,0,0|1,0,1]=3 978 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,1,0,0,0,0|1,0,1]=3 979 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,1,0,0,0,0|0,0,2]=3 980 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,1,0,0,0,0|1,0,1]=3 981 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,1,0,0,0,0|1,0,1]=3 982 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [0,1,0,0,0,0|0,0,1]=2 983 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [0,1,0,0,0,0|0,0,1]=2 984 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [0,1,0,0,0,0|0,0,1]=2 985 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [0,1,0,0,0,0|0,0,1]=2 986 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [0,1,0,0,0,0|0,0,1]=2 987 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [0,1,0,0,0,0|0,0,1]=2 988 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [0,1,0,0,0,0|0,0,1]=2 989 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [0,1,0,0,0,0|0,0,1]=2 990 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [0,1,0,0,0,0|1,0,2]=4 991 B5R0.5 O=C([O-])C(F)Cl MCULE-6121365584 [0,1,0,0,0,0|1,0,2]=4 992 B5R0.5 O=C([O-])C(F)I MCULE-5263796115 [0,1,0,0,0,0|1,0,2]=4 993 B5R0.5 O=S(O)C(F)F MCULE-6110273161 [0,1,0,0,0,0|2,0,1]=4 994 B5R0.5 O=S([O-])S(=O)[O-] MCULE-3262145301 [0,1,0,0,0,0|2,0,1]=4 995 B5R0.5 O=S([O-])S(=O)[O-] MCULE-7235477476 [0,1,0,0,0,0|2,0,1]=4 996 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,1,0,0,0,0|1,0,1]=3 997 B5R1.2 BrC1=CCC1 MCULE-7839710306 [0,0,0,1,0,0|3,0,0]=4 998 B5R1.2 O=C1CCC1 MCULE-4870967355 [0,0,0,1,0,0|2,0,1]=4 999 B5R1.2 O=C1CCN1 MCULE-9053067221 [0,0,0,1,0,0|2,0,1]=4 1000 B5R1.2 O=C1CCO1 MCULE-1277069147 [0,0,0,1,0,0|1,0,1]=3 1001 B5R1.2 O=C1CNC1 MCULE-5171659870 [0,0,0,1,0,0|2,0,1]=4 1002 B5R1.2 O=C1CNC1 MCULE-8293494956 [0,0,0,1,0,0|2,0,1]=4 1003 B5R1.2 O=C1COC1 MCULE-6847248632 [0,0,0,1,0,0|1,0,2]=4 1004 B5R1.2 O=C1CSC1 MCULE-4436071261 [0,0,0,1,0,0|1,1,1]=4 1005 B5R1.3 C=CC1CO1 MCULE-1428696186 [0,0,0,1,0,0|2,0,1]=4 1006 B5R1.3 O=CC1CC1 MCULE-9773190262 [0,0,0,1,0,0|2,0,1]=4 1007 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [0,0,0,1,0,0|2,0,1]=4 1008 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [0,0,0,1,0,0|2,0,1]=4 1009 B2R0.1 C=C=C MCULE-2040872097 [2,0,0,0,0,0|1,0,1]=4 1010 B2R0.1 C=CBr MCULE-1481946455 [2,0,0,0,0,0|1,0,0]=3 1011 B2R0.1 C=CC MCULE-5223715076 [2,0,0,0,0,0|1,0,0]=3 1012 B2R0.1 C=CCl MCULE-9678046268 [2,0,0,0,0,0|1,0,0]=3 1013 B2R0.1 C=CI MCULE-2939062322 [2,0,0,0,0,0|1,0,0]=3 1014 B2R0.1 C=CO MCULE-8167566239 [2,0,0,0,0,0|0,0,0]=2 1015 B2R0.1 C=NN MCULE-4427606079 [2,0,0,0,0,0|2,0,0]=4 1016 B2R0.1 C=NO MCULE-1312312591 [2,0,0,0,0,0|1,0,0]=3 1017 B2R0.1 C=NO MCULE-7599902650 [2,0,0,0,0,0|1,0,0]=3 1018 B2R0.1 CC=O MCULE-6002254510 [2,0,0,0,0,0|0,0,1]=3 1019 B2R0.1 CC=O MCULE-6800925955 [2,0,0,0,0,0|0,0,1]=3 1020 B2R0.1 CCO MCULE-8818474596 [2,0,0,0,0,0|0,0,2]=4 1021 B2R0.1 CNO MCULE-5310203084 [2,0,0,0,0,0|1,0,1]=4 1022 B2R0.1 CNO MCULE-7072005453 [2,0,0,0,0,0|1,0,1]=4 1023 B2R0.1 N#CO MCULE-7459250889 [2,0,0,0,0,0|1,0,1]=4 1024 B2R0.1 N=C=O MCULE-6805056266 [2,0,0,0,0,0|1,0,1]=4 1025 B2R0.1 N=CN MCULE-3312866825 [2,0,0,0,0,0|2,0,0]=4 1026 B2R0.1 N=CN MCULE-4184922761 [2,0,0,0,0,0|2,0,0]=4 1027 B2R0.1 N=CN MCULE-8637660949 [2,0,0,0,0,0|2,0,0]=4 1028 B2R0.1 NC=O MCULE-1633954643 [2,0,0,0,0,0|1,0,0]=3 1029 B2R0.1 NC=O MCULE-4202420620 [2,0,0,0,0,0|1,0,0]=3 1030 B2R0.1 NC=S MCULE-9004645073 [2,0,0,0,0,0|1,1,0]=4 1031 B2R0.1 NC=[NH2+] MCULE-1491590547 [2,0,0,0,0,0|2,0,0]=4 1032 B2R0.1 O=BO MCULE-1752281859 [2,0,0,0,0,0|1,0,0]=3 1033 B2R0.1 O=CO MCULE-7175589186 [2,0,0,0,0,0|0,0,0]=2 1034 B2R0.1 O=C[O-] MCULE-2970986504 [2,0,0,0,0,0|0,0,1]=3 1035 B2R0.1 O=C[O-] MCULE-3867870864 [2,0,0,0,0,0|0,0,1]=3 1036 B2R0.1 O=C[O-] MCULE-4029930501 [2,0,0,0,0,0|0,0,1]=3 1037 B2R0.1 O=NO MCULE-6927518919 [2,0,0,0,0,0|1,0,0]=3 1038 B2R0.1 O=N[O-] MCULE-3257981536 [2,0,0,0,0,0|1,0,1]=4 1039 B2R0.1 O=N[O-] MCULE-7337131268 [2,0,0,0,0,0|1,0,1]=4 1040 B2R0.1 O=PO MCULE-5287418544 [2,0,0,0,0,0|1,0,0]=3 1041 B2R0.1 O=P[O-] MCULE-3840413517 [2,0,0,0,0,0|1,0,1]=4 1042 B2R0.1 O=P[O-] MCULE-8243944513 [2,0,0,0,0,0|1,0,1]=4 1043 B2R0.1 O=S=O MCULE-5418662043 [2,0,0,0,0,0|1,0,0]=3 1044 B2R0.1 O=[Ge]=O MCULE-2024233522 [2,0,0,0,0,0|0,1,0]=3 1045 B2R0.1 O=[N+]=O MCULE-8164521024 [2,0,0,0,0,0|1,0,0]=3 1046 B2R0.1 O=[Se]=O MCULE-7119785212 [2,0,0,0,0,0|1,0,0]=3 1047 B2R0.1 O=[Si]=O MCULE-2341844083 [2,0,0,0,0,0|0,1,0]=3 1048 B2R0.1 O=[Te]=O MCULE-4837785402 [2,0,0,0,0,0|1,0,0]=3 1049 B2R0.1 OBO MCULE-8455181481 [2,0,0,0,0,0|1,0,1]=4 1050 B2R0.1 OPO MCULE-1346196691 [2,0,0,0,0,0|1,0,1]=4 1051 B2R0.1 OPO MCULE-5673098193 [2,0,0,0,0,0|1,0,1]=4 1052 B2R0.1 [O-]PO MCULE-2811495269 [2,0,0,0,0,0|1,0,1]=4 1053 B2R0.1 [O-]PO MCULE-6918966731 [2,0,0,0,0,0|1,0,1]=4 1054 B4R0.2 BrC=CCBr MCULE-1480697982 [1,1,0,0,0,0|2,0,0]=4 1055 B4R0.2 C#CC=CC MCULE-9741359131 [1,1,0,0,0,0|2,0,0]=4 1056 B4R0.2 C/C=C/C#N MCULE-2754343103 [1,1,0,0,0,0|2,0,0]=4 1057 B4R0.2 C/C=C/C=O MCULE-9924705308 [1,1,0,0,0,0|1,0,0]=3 1058 B4R0.2 C/C=C/CCl MCULE-9977493525 [1,1,0,0,0,0|2,0,0]=4 1059 B4R0.2 C/C=C/CO MCULE-2383161163 [1,1,0,0,0,0|1,0,0]=3 1060 B4R0.2 C/C=C/OC MCULE-3906920304 [1,1,0,0,0,0|1,0,0]=3 1061 B4R0.2 C/C=C\CO MCULE-5924662327 [1,1,0,0,0,0|1,0,0]=3 1062 B4R0.2 C=C=CCO MCULE-5424851896 [1,1,0,0,0,0|1,0,1]=4 1063 B4R0.2 C=CC=CC MCULE-4452516287 [1,1,0,0,0,0|2,0,0]=4 1064 B4R0.2 C=CCCO MCULE-4582400839 [1,1,0,0,0,0|1,0,1]=4 1065 B4R0.2 C=CCOC MCULE-3321225771 [1,1,0,0,0,0|1,0,1]=4 1066 B4R0.2 C=CCON MCULE-2094787759 [1,1,0,0,0,0|1,0,1]=4 1067 B4R0.2 C=CCON MCULE-6222602533 [1,1,0,0,0,0|1,0,1]=4 1068 B4R0.2 C=CNC=O MCULE-8403928899 [1,1,0,0,0,0|1,0,0]=3 1069 B4R0.2 C=C[Te]C=C MCULE-9095868234 [1,1,0,0,0,0|2,0,0]=4 1070 B4R0.2 CC#CC=O MCULE-9270622693 [1,1,0,0,0,0|1,0,1]=4 1071 B4R0.2 CC=CC#N MCULE-5062019142 [1,1,0,0,0,0|2,0,0]=4 1072 B4R0.2 CC=CC=O MCULE-2497362981 [1,1,0,0,0,0|1,0,0]=3 1073 B4R0.2 CC=CCBr MCULE-7855581866 [1,1,0,0,0,0|2,0,0]=4 1074 B4R0.2 CC=CCC MCULE-5931905453 [1,1,0,0,0,0|2,0,0]=4 1075 B4R0.2 CC=CCCl MCULE-3941962217 [1,1,0,0,0,0|2,0,0]=4 1076 B4R0.2 CC=CCO MCULE-7490725844 [1,1,0,0,0,0|1,0,0]=3 1077 B4R0.2 CC=COC MCULE-6712403535 [1,1,0,0,0,0|1,0,0]=3 1078 B4R0.2 CC=CSC MCULE-5921906156 [1,1,0,0,0,0|1,1,0]=4 1079 B4R0.2 CCC=CBr MCULE-4471551501 [1,1,0,0,0,0|2,0,0]=4 1080 B4R0.2 CCC=NO MCULE-9457280654 [1,1,0,0,0,0|1,0,1]=4 1081 B4R0.2 CCCC=O MCULE-8530391347 [1,1,0,0,0,0|1,0,1]=4 1082 B4R0.2 CCNC=O MCULE-9309926274 [1,1,0,0,0,0|1,0,1]=4 1083 B4R0.2 CCOC=O MCULE-6245072161 [1,1,0,0,0,0|1,0,1]=4 1084 B4R0.2 COCC=O MCULE-9427361019 [1,1,0,0,0,0|0,0,1]=3 1085 B4R0.2 Cl/C=C/CCl MCULE-4516188972 [1,1,0,0,0,0|2,0,0]=4 1086 B4R0.2 ClC/C=C/Br MCULE-1061414929 [1,1,0,0,0,0|2,0,0]=4 1087 B4R0.2 ClC=CCCl MCULE-4655672652 [1,1,0,0,0,0|2,0,0]=4 1088 B4R0.2 N/C=C/C=O MCULE-2444951625 [1,1,0,0,0,0|1,0,0]=3 1089 B4R0.2 NC=CC=O MCULE-4070918342 [1,1,0,0,0,0|1,0,0]=3 1090 B4R0.2 O=BOB=O MCULE-4560541361 [1,1,0,0,0,0|2,0,0]=4 1091 B4R0.2 O=CCCBr MCULE-4107157458 [1,1,0,0,0,0|1,0,1]=4 1092 B4R0.2 O=CCCCl MCULE-5863929313 [1,1,0,0,0,0|1,0,1]=4 1093 B4R0.2 O=CCCI MCULE-9771140462 [1,1,0,0,0,0|1,0,1]=4 1094 B4R0.2 O=CCCO MCULE-1685289763 [1,1,0,0,0,0|0,0,1]=3 1095 B4R0.2 O=CNC=O MCULE-3098379420 [1,1,0,0,0,0|0,0,0]=2 1096 B4R0.2 O=COC=O MCULE-6311384332 [1,1,0,0,0,0|0,0,0]=2 1097 B4R0.2 O=C[N-]C=O MCULE-4923470284 [1,1,0,0,0,0|0,0,0]=2 1098 B4R0.2 O=[As]O[As]=O MCULE-6104708983 [1,1,0,0,0,0|2,0,0]=4 1099 B4R0.2 OC=CCCl MCULE-4750991393 [1,1,0,0,0,0|1,0,0]=3 1100 B4R0.2 OCC=CBr MCULE-4636104289 [1,1,0,0,0,0|1,0,0]=3 1101 B4R0.2 OCC=CCl MCULE-2110127594 [1,1,0,0,0,0|1,0,0]=3 1102 B4R0.2 ON=CCCl MCULE-5736695742 [1,1,0,0,0,0|1,0,1]=4 1103 B4R0.3 CP(=O)(C)O MCULE-6213882061 [1,1,0,0,0,0|1,0,1]=4 1104 B4R0.3 CP(=O)(O)O MCULE-1998702544 [1,1,0,0,0,0|1,0,1]=4 1105 B4R0.3 CS(=O)(=O)C MCULE-3320409932 [1,1,0,0,0,0|2,0,0]=4 1106 B4R0.3 CS(=O)(=O)Cl MCULE-2152421757 [1,1,0,0,0,0|2,0,0]=4 1107 B4R0.3 CS(=O)(=O)N MCULE-3286513976 [1,1,0,0,0,0|2,0,0]=4 1108 B4R0.3 CS(=O)(=O)O MCULE-3859614034 [1,1,0,0,0,0|1,0,0]=3 1109 B4R0.3 CS(=O)(=O)O MCULE-6572487779 [1,1,0,0,0,0|1,0,0]=3 1110 B4R0.3 CS(=O)(=O)O MCULE-9395657013 [1,1,0,0,0,0|1,0,0]=3 1111 B4R0.3 CS(=O)(=O)S MCULE-8894274858 [1,1,0,0,0,0|1,1,0]=4 1112 B4R0.3 CS(=O)(=O)[O-] MCULE-1087186932 [1,1,0,0,0,0|1,0,1]=4 1113 B4R0.3 CS(=O)(=O)[O-] MCULE-3893369887 [1,1,0,0,0,0|1,0,1]=4 1114 B4R0.3 C[As](=O)(C)O MCULE-8596669108 [1,1,0,0,0,0|1,0,1]=4 1115 B4R0.3 C[As](=O)(O)O MCULE-7801777602 [1,1,0,0,0,0|1,0,1]=4 1116 B4R0.3 NS(=O)(=O)Cl MCULE-9522746996 [1,1,0,0,0,0|2,0,0]=4 1117 B4R0.3 NS(=O)(=O)N MCULE-9292781774 [1,1,0,0,0,0|2,0,0]=4 1118 B4R0.3 NS(=O)(=O)O MCULE-8047713803 [1,1,0,0,0,0|1,0,0]=3 1119 B4R0.3 NS(=O)(=O)[O-] MCULE-2055121515 [1,1,0,0,0,0|1,0,1]=4 1120 B4R0.3 NS(=O)(=O)[O-] MCULE-5233442923 [1,1,0,0,0,0|1,0,1]=4 1121 B4R0.3 NS(=O)(=O)[O-] MCULE-6545653507 [1,1,0,0,0,0|1,0,1]=4 1122 B4R0.3 O=Cl(=O)(=O)O MCULE-7968387576 [1,1,0,0,0,0|1,0,0]=3 1123 B4R0.3 O=I(=O)(=O)O MCULE-4762970437 [1,1,0,0,0,0|1,0,0]=3 1124 B4R0.3 O=P(O)(F)F MCULE-8498033289 [1,1,0,0,0,0|2,0,0]=4 1125 B4R0.3 O=P(O)(O)F MCULE-9464702088 [1,1,0,0,0,0|1,0,1]=4 1126 B4R0.3 O=P(O)(O)O MCULE-2880016508 [1,1,0,0,0,0|1,0,1]=4 1127 B4R0.3 O=P(O)(O)O MCULE-2910704584 [1,1,0,0,0,0|1,0,1]=4 1128 B4R0.3 O=P(O)(O)O MCULE-3461094329 [1,1,0,0,0,0|1,0,1]=4 1129 B4R0.3 O=P(O)(O)O MCULE-4434176486 [1,1,0,0,0,0|1,0,1]=4 1130 B4R0.3 O=P(O)(O)O MCULE-5726619687 [1,1,0,0,0,0|1,0,1]=4 1131 B4R0.3 O=P(O)(O)O MCULE-6927660115 [1,1,0,0,0,0|1,0,1]=4 1132 B4R0.3 O=P([O-])([O-])O MCULE-9042759446 [1,1,0,0,0,0|1,0,1]=4 1133 B4R0.3 O=S(=O)(Cl)Cl MCULE-5561068833 [1,1,0,0,0,0|2,0,0]=4 1134 B4R0.3 O=S(=O)(O)Cl MCULE-8480162218 [1,1,0,0,0,0|1,0,0]=3 1135 B4R0.3 O=S(=O)(O)F MCULE-6611614216 [1,1,0,0,0,0|1,0,0]=3 1136 B4R0.3 O=S(=O)(O)O MCULE-1504889908 [1,1,0,0,0,0|1,0,0]=3 1137 B4R0.3 O=S(=O)(O)O MCULE-1840532235 [1,1,0,0,0,0|1,0,0]=3 1138 B4R0.3 O=S(=O)(O)O MCULE-3157443351 [1,1,0,0,0,0|1,0,0]=3 1139 B4R0.3 O=S(=O)(O)O MCULE-3551431822 [1,1,0,0,0,0|1,0,0]=3 1140 B4R0.3 O=S(=O)(O)O MCULE-3633072096 [1,1,0,0,0,0|1,0,0]=3 1141 B4R0.3 O=S(=O)(O)O MCULE-7421846921 [1,1,0,0,0,0|1,0,0]=3 1142 B4R0.3 O=S(=O)(O)O MCULE-8481710376 [1,1,0,0,0,0|1,0,0]=3 1143 B4R0.3 O=S(=O)(O)O MCULE-8508402601 [1,1,0,0,0,0|1,0,0]=3 1144 B4R0.3 O=S(=O)(O)O MCULE-8725108786 [1,1,0,0,0,0|1,0,0]=3 1145 B4R0.3 O=S(=O)(O)O MCULE-8745821726 [1,1,0,0,0,0|1,0,0]=3 1146 B4R0.3 O=S(=O)(O)O MCULE-9074359856 [1,1,0,0,0,0|1,0,0]=3 1147 B4R0.3 O=S(=O)(O)S MCULE-1871677467 [1,1,0,0,0,0|1,0,0]=3 1148 B4R0.3 O=S(=O)([O-])F MCULE-7461058396 [1,1,0,0,0,0|1,0,1]=4 1149 B4R0.3 O=S(=O)([O-])O MCULE-5828166967 [1,1,0,0,0,0|1,0,0]=3 1150 B4R0.3 O=S(=O)([O-])[O-] MCULE-3007315603 [1,1,0,0,0,0|1,0,1]=4 1151 B4R0.3 O=S(=O)([O-])[O-] MCULE-3104615142 [1,1,0,0,0,0|1,0,1]=4 1152 B4R0.3 O=S(=O)([O-])[O-] MCULE-4064410091 [1,1,0,0,0,0|1,0,1]=4 1153 B4R0.3 O=S(=O)([O-])[O-] MCULE-4882916349 [1,1,0,0,0,0|1,0,1]=4 1154 B4R0.3 O=S(=O)([O-])[O-] MCULE-5082922188 [1,1,0,0,0,0|1,0,1]=4 1155 B4R0.3 O=S(=O)([O-])[O-] MCULE-5841151164 [1,1,0,0,0,0|1,0,1]=4 1156 B4R0.3 O=S(=O)([O-])[O-] MCULE-6468812636 [1,1,0,0,0,0|1,0,1]=4 1157 B4R0.3 O=S(=O)([O-])[O-] MCULE-7772538108 [1,1,0,0,0,0|1,0,1]=4 1158 B4R0.3 O=S(=O)([O-])[O-] MCULE-8611263724 [1,1,0,0,0,0|1,0,1]=4 1159 B4R0.3 O=S(=O)([O-])[O-] MCULE-9214964102 [1,1,0,0,0,0|1,0,1]=4 1160 B4R0.3 O=S(=O)([O-])[O-] MCULE-9577291118 [1,1,0,0,0,0|1,0,1]=4 1161 B4R0.3 O=S(=O)([O-])[O-] MCULE-9619169352 [1,1,0,0,0,0|1,0,1]=4 1162 B4R0.3 O=S(=O)([O-])[O-] MCULE-9654266000 [1,1,0,0,0,0|1,0,1]=4 1163 B4R0.3 O=[Se](=O)(O)O MCULE-3321111440 [1,1,0,0,0,0|1,0,0]=3 1164 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [0,2,0,0,0,0|1,0,1]=4 1165 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [0,2,0,0,0,0|1,0,1]=4 1166 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [0,2,0,0,0,0|2,0,0]=4 1167 B6R0.1 C/C(=N\O)/C=N/O MCULE-3049929204 [0,2,0,0,0,0|1,0,1]=4 1168 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [0,2,0,0,0,0|1,0,0]=3 1169 B6R0.1 C=C=CC(=O)OC MCULE-7885631451 [0,2,0,0,0,0|1,0,0]=3 1170 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [0,2,0,0,0,0|2,0,0]=4 1171 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,2,0,0,0,0|1,0,0]=3 1172 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,2,0,0,0,0|2,0,0]=4 1173 B6R0.1 C=CC(=O)NCO MCULE-3627112877 [0,2,0,0,0,0|1,0,0]=3 1174 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,2,0,0,0,0|1,0,0]=3 1175 B6R0.1 C=CC/C(=N/O)/N MCULE-6681864760 [0,2,0,0,0,0|2,0,0]=4 1176 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [0,2,0,0,0,0|2,0,0]=4 1177 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [0,2,0,0,0,0|2,0,0]=4 1178 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [0,2,0,0,0,0|2,0,0]=4 1179 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [0,2,0,0,0,0|1,0,0]=3 1180 B6R0.1 C=COC(=O)CC MCULE-7662621547 [0,2,0,0,0,0|1,0,1]=4 1181 B6R0.1 C=COC(=O)CCl MCULE-7675766105 [0,2,0,0,0,0|1,0,1]=4 1182 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [0,2,0,0,0,0|1,0,1]=4 1183 B6R0.1 CC(=CN=O)NO MCULE-1780424821 [0,2,0,0,0,0|1,0,0]=3 1184 B6R0.1 CC(=NO)C=NO MCULE-9711224051 [0,2,0,0,0,0|1,0,1]=4 1185 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [0,2,0,0,0,0|2,0,0]=4 1186 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [0,2,0,0,0,0|2,0,0]=4 1187 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [0,2,0,0,0,0|1,0,0]=3 1188 B6R0.1 CCC(=O)COC MCULE-1087802011 [0,2,0,0,0,0|1,0,1]=4 1189 B6R0.1 CCC(=O)NOC MCULE-4440074406 [0,2,0,0,0,0|1,0,1]=4 1190 B6R0.1 CCC(=O)OCCl MCULE-6975707373 [0,2,0,0,0,0|1,0,1]=4 1191 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [0,2,0,0,0,0|2,0,0]=4 1192 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,2,0,0,0,0|1,0,1]=4 1193 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,2,0,0,0,0|1,0,1]=4 1194 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,2,0,0,0,0|1,0,1]=4 1195 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,2,0,0,0,0|1,0,1]=4 1196 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,2,0,0,0,0|1,0,1]=4 1197 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,2,0,0,0,0|1,0,1]=4 1198 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [0,2,0,0,0,0|1,0,1]=4 1199 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,2,0,0,0,0|0,0,0]=2 1200 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,2,0,0,0,0|1,0,1]=4 1201 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,2,0,0,0,0|1,0,1]=4 1202 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [0,2,0,0,0,0|1,0,1]=4 1203 B6R0.1 CCOC(=O)CF MCULE-1926097423 [0,2,0,0,0,0|1,0,1]=4 1204 B6R0.1 CCOC(=O)CI MCULE-9898762324 [0,2,0,0,0,0|1,0,1]=4 1205 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,2,0,0,0,0|1,0,1]=4 1206 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,2,0,0,0,0|1,0,1]=4 1207 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,2,0,0,0,0|0,0,2]=4 1208 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,2,0,0,0,0|0,1,1]=4 1209 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,2,0,0,0,0|2,0,0]=4 1210 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,2,0,0,0,0|2,0,0]=4 1211 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,2,0,0,0,0|1,0,1]=4 1212 B6R0.1 CCOC(=O)OC MCULE-1185162684 [0,2,0,0,0,0|1,0,1]=4 1213 B6R0.1 CN(C=O)CCO MCULE-3588371476 [0,2,0,0,0,0|2,0,0]=4 1214 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,2,0,0,0,0|2,0,0]=4 1215 B6R0.1 CNC(=O)CON MCULE-6451598359 [0,2,0,0,0,0|2,0,0]=4 1216 B6R0.1 CNC(=O)CON MCULE-8743298594 [0,2,0,0,0,0|2,0,0]=4 1217 B6R0.1 CNCC(=O)OC MCULE-1667683926 [0,2,0,0,0,0|1,0,1]=4 1218 B6R0.1 CNCC(=O)OC MCULE-5530863658 [0,2,0,0,0,0|1,0,1]=4 1219 B6R0.1 CNNC(=O)OC MCULE-4763095719 [0,2,0,0,0,0|2,0,0]=4 1220 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [0,2,0,0,0,0|1,0,0]=3 1221 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [0,2,0,0,0,0|1,0,0]=3 1222 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [0,2,0,0,0,0|1,0,0]=3 1223 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [0,2,0,0,0,0|1,0,0]=3 1224 B6R0.1 COC(=O)C#CBr MCULE-2452280844 [0,2,0,0,0,0|1,0,1]=4 1225 B6R0.1 COC(=O)C#CI MCULE-2688506741 [0,2,0,0,0,0|1,0,1]=4 1226 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [0,2,0,0,0,0|1,0,0]=3 1227 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [0,2,0,0,0,0|1,0,0]=3 1228 B6R0.1 COC(=O)C=CI MCULE-1616048599 [0,2,0,0,0,0|1,0,0]=3 1229 B6R0.1 COC(=O)C=CN MCULE-4685220707 [0,2,0,0,0,0|1,0,0]=3 1230 B6R0.1 COC(=O)CC#N MCULE-2699345092 [0,2,0,0,0,0|1,0,1]=4 1231 B6R0.1 COC(=O)CC=O MCULE-6624474559 [0,2,0,0,0,0|0,0,0]=2 1232 B6R0.1 COC(=O)CCBr MCULE-3565567444 [0,2,0,0,0,0|1,0,1]=4 1233 B6R0.1 COC(=O)CCCl MCULE-5034007224 [0,2,0,0,0,0|1,0,1]=4 1234 B6R0.1 COC(=O)CCI MCULE-5984806612 [0,2,0,0,0,0|1,0,1]=4 1235 B6R0.1 COC(=O)CCN MCULE-2306060188 [0,2,0,0,0,0|1,0,1]=4 1236 B6R0.1 COC(=O)CCN MCULE-8245275833 [0,2,0,0,0,0|1,0,1]=4 1237 B6R0.1 COC(=O)CCO MCULE-8538834260 [0,2,0,0,0,0|0,0,2]=4 1238 B6R0.1 COC(=O)CCS MCULE-1695345183 [0,2,0,0,0,0|0,1,1]=4 1239 B6R0.1 COC(=O)CNN MCULE-3287579794 [0,2,0,0,0,0|1,0,1]=4 1240 B6R0.1 COC(=O)CNN MCULE-3838874166 [0,2,0,0,0,0|1,0,1]=4 1241 B6R0.1 COC(=O)CON MCULE-4799038238 [0,2,0,0,0,0|0,0,2]=4 1242 B6R0.1 COC(=O)CSC MCULE-6735536033 [0,2,0,0,0,0|0,1,1]=4 1243 B6R0.1 COC(=O)N=C=S MCULE-2981767233 [0,2,0,0,0,0|0,1,1]=4 1244 B6R0.1 COC(=O)NC=O MCULE-9852632340 [0,2,0,0,0,0|0,0,0]=2 1245 B6R0.1 COC(=O)OCCl MCULE-7856529986 [0,2,0,0,0,0|1,0,1]=4 1246 B6R0.1 COC(=O)OCF MCULE-4705008675 [0,2,0,0,0,0|1,0,1]=4 1247 B6R0.1 COC(=O)OCI MCULE-8692720175 [0,2,0,0,0,0|1,0,1]=4 1248 B6R0.1 COC(C)CC=O MCULE-7243333697 [0,2,0,0,0,0|1,0,1]=4 1249 B6R0.1 COCC(=O)CCl MCULE-7542636020 [0,2,0,0,0,0|1,0,1]=4 1250 B6R0.1 COCC(=O)NN MCULE-4127487886 [0,2,0,0,0,0|2,0,0]=4 1251 B6R0.1 COCC(=O)OC MCULE-8337685268 [0,2,0,0,0,0|0,0,2]=4 1252 B6R0.1 COCC(C)C=O MCULE-7679332713 [0,2,0,0,0,0|1,0,1]=4 1253 B6R0.1 CONC(=O)OC MCULE-9304532248 [0,2,0,0,0,0|1,0,1]=4 1254 B6R0.1 NNC(=O)CCO MCULE-6184351353 [0,2,0,0,0,0|2,0,0]=4 1255 B6R0.1 O=C(C=CCl)CCl MCULE-6121304267 [0,2,0,0,0,0|2,0,0]=4 1256 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [0,2,0,0,0,0|1,0,1]=4 1257 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [0,2,0,0,0,0|1,0,1]=4 1258 B6R0.1 O=C=NC(=O)CCl MCULE-8927897165 [0,2,0,0,0,0|1,0,1]=4 1259 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [0,2,0,0,0,0|1,0,1]=4 1260 B6R0.1 ON=CC(=NO)Cl MCULE-8939091308 [0,2,0,0,0,0|1,0,1]=4 1261 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,2,0,0,0,0|2,0,0]=4 1262 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,2,0,0,0,0|1,0,0]=3 1263 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,2,0,0,0,0|2,0,0]=4 1264 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,2,0,0,0,0|1,0,0]=3 1265 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,2,0,0,0,0|2,0,0]=4 1266 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,2,0,0,0,0|2,0,0]=4 1267 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,2,0,0,0,0|1,0,0]=3 1268 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,2,0,0,0,0|1,0,0]=3 1269 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,2,0,0,0,0|1,0,0]=3 1270 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,2,0,0,0,0|1,0,0]=3 1271 B6R0.2 CC(=CN(=O)=O)C MCULE-7745125648 [0,2,0,0,0,0|2,0,0]=4 1272 B6R0.2 CC(=C[N+](=O)[O-])[O-] MCULE-1079281493 [0,2,0,0,0,0|1,0,1]=4 1273 B6R0.2 CC(=C[N+](=O)[O-])[O-] MCULE-4355961794 [0,2,0,0,0,0|1,0,1]=4 1274 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,2,0,0,0,0|2,0,0]=4 1275 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,2,0,0,0,0|2,0,0]=4 1276 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,2,0,0,0,0|1,0,1]=4 1277 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,2,0,0,0,0|1,0,1]=4 1278 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,2,0,0,0,0|2,0,0]=4 1279 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,2,0,0,0,0|2,0,0]=4 1280 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,2,0,0,0,0|2,0,0]=4 1281 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,2,0,0,0,0|1,0,0]=3 1282 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,2,0,0,0,0|1,0,1]=4 1283 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,2,0,0,0,0|1,0,0]=3 1284 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,2,0,0,0,0|1,0,0]=3 1285 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,2,0,0,0,0|0,0,0]=2 1286 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,2,0,0,0,0|0,0,1]=3 1287 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,2,0,0,0,0|0,0,1]=3 1288 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,2,0,0,0,0|1,0,1]=4 1289 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,2,0,0,0,0|1,0,1]=4 1290 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,2,0,0,0,0|2,0,0]=4 1291 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,2,0,0,0,0|1,0,0]=3 1292 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,2,0,0,0,0|1,0,0]=3 1293 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,2,0,0,0,0|1,1,0]=4 1294 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,2,0,0,0,0|1,0,0]=3 1295 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,2,0,0,0,0|1,0,0]=3 1296 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,2,0,0,0,0|1,0,0]=3 1297 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,2,0,0,0,0|1,0,0]=3 1298 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,2,0,0,0,0|1,0,1]=4 1299 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,2,0,0,0,0|1,0,1]=4 1300 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,2,0,0,0,0|1,0,1]=4 1301 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,2,0,0,0,0|1,0,1]=4 1302 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,2,0,0,0,0|1,0,1]=4 1303 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,2,0,0,0,0|1,0,1]=4 1304 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,2,0,0,0,0|1,0,1]=4 1305 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,2,0,0,0,0|1,0,1]=4 1306 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,2,0,0,0,0|1,0,1]=4 1307 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,2,0,0,0,0|0,0,2]=4 1308 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,2,0,0,0,0|0,0,2]=4 1309 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,2,0,0,0,0|1,0,1]=4 1310 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,2,0,0,0,0|1,0,1]=4 1311 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,2,0,0,0,0|1,0,1]=4 1312 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,2,0,0,0,0|1,0,1]=4 1313 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,2,0,0,0,0|1,0,1]=4 1314 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,2,0,0,0,0|1,0,1]=4 1315 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,2,0,0,0,0|1,0,1]=4 1316 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,2,0,0,0,0|1,0,1]=4 1317 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,2,0,0,0,0|0,0,2]=4 1318 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,2,0,0,0,0|0,0,2]=4 1319 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,2,0,0,0,0|1,0,1]=4 1320 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,2,0,0,0,0|1,0,1]=4 1321 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,2,0,0,0,0|1,0,1]=4 1322 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,2,0,0,0,0|1,0,1]=4 1323 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,2,0,0,0,0|1,0,1]=4 1324 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,2,0,0,0,0|1,0,1]=4 1325 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,2,0,0,0,0|1,0,1]=4 1326 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,2,0,0,0,0|1,0,1]=4 1327 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,2,0,0,0,0|0,0,2]=4 1328 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,2,0,0,0,0|0,0,2]=4 1329 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,2,0,0,0,0|1,0,1]=4 1330 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,2,0,0,0,0|1,0,1]=4 1331 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,2,0,0,0,0|2,0,0]=4 1332 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,2,0,0,0,0|2,0,0]=4 1333 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,2,0,0,0,0|2,0,0]=4 1334 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,2,0,0,0,0|2,0,0]=4 1335 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,2,0,0,0,0|2,0,0]=4 1336 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,2,0,0,0,0|2,0,0]=4 1337 B6R0.2 NC(=CN(=O)=O)N MCULE-9629386307 [0,2,0,0,0,0|2,0,0]=4 1338 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,2,0,0,0,0|1,0,0]=3 1339 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,2,0,0,0,0|0,0,0]=2 1340 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,2,0,0,0,0|1,1,0]=4 1341 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,2,0,0,0,0|1,0,1]=4 1342 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,2,0,0,0,0|1,0,1]=4 1343 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,2,0,0,0,0|1,0,0]=3 1344 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,2,0,0,0,0|1,0,1]=4 1345 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,2,0,0,0,0|1,0,1]=4 1346 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,2,0,0,0,0|1,0,0]=3 1347 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,2,0,0,0,0|1,0,0]=3 1348 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,2,0,0,0,0|1,0,0]=3 1349 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,2,0,0,0,0|0,0,2]=4 1350 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,2,0,0,0,0|0,0,0]=2 1351 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,2,0,0,0,0|1,0,1]=4 1352 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,2,0,0,0,0|0,0,1]=3 1353 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,2,0,0,0,0|0,0,1]=3 1354 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,2,0,0,0,0|0,0,1]=3 1355 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [0,2,0,0,0,0|0,0,2]=4 1356 B6R0.2 O=N(=O)C=C(Cl)Cl MCULE-9907270101 [0,2,0,0,0,0|2,0,0]=4 1357 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,2,0,0,0,0|0,0,2]=4 1358 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,2,0,0,0,0|0,0,2]=4 1359 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,2,0,0,0,0|1,0,1]=4 1360 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,2,0,0,0,0|1,0,1]=4 1361 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,2,0,0,0,0|1,0,0]=3 1362 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,2,0,0,0,0|1,0,0]=3 1363 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,2,0,0,0,0|1,0,0]=3 1364 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,2,0,0,0,0|0,0,1]=3 1365 B6R0.3 C=C(Br)C(=O)OC MCULE-6192595524 [0,2,0,0,0,0|1,0,0]=3 1366 B6R0.3 C=C(C#N)C(=O)O MCULE-1746285232 [0,2,0,0,0,0|1,0,0]=3 1367 B6R0.3 C=C(C)C(=O)NC MCULE-9515227181 [0,2,0,0,0,0|2,0,0]=4 1368 B6R0.3 C=C(C)C(=O)NN MCULE-5114453960 [0,2,0,0,0,0|2,0,0]=4 1369 B6R0.3 C=C(C)C(=O)OC MCULE-9286083206 [0,2,0,0,0,0|1,0,0]=3 1370 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,2,0,0,0,0|1,0,0]=3 1371 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,2,0,0,0,0|1,0,0]=3 1372 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,2,0,0,0,0|0,0,1]=3 1373 B6R0.3 C=C(Cl)C(=O)OC MCULE-6494333767 [0,2,0,0,0,0|1,0,0]=3 1374 B6R0.3 C=C(F)C(=O)OC MCULE-8485282148 [0,2,0,0,0,0|1,0,0]=3 1375 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,2,0,0,0,0|0,0,1]=3 1376 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,2,0,0,0,0|0,0,0]=2 1377 B6R0.3 C=CC(=O)C(C)C MCULE-8577593172 [0,2,0,0,0,0|2,0,0]=4 1378 B6R0.3 C=CC(=O)N(C)C MCULE-3105693382 [0,2,0,0,0,0|2,0,0]=4 1379 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,2,0,0,0,0|1,0,0]=3 1380 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,2,0,0,0,0|1,0,0]=3 1381 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,2,0,0,0,0|1,0,0]=3 1382 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,2,0,0,0,0|1,0,0]=3 1383 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,2,0,0,0,0|1,0,0]=3 1384 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,2,0,0,0,0|1,0,0]=3 1385 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [0,2,0,0,0,0|2,0,0]=4 1386 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,2,0,0,0,0|1,0,0]=3 1387 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,2,0,0,0,0|1,0,0]=3 1388 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,2,0,0,0,0|1,0,0]=3 1389 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,2,0,0,0,0|1,0,0]=3 1390 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,2,0,0,0,0|1,0,0]=3 1391 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,2,0,0,0,0|1,0,0]=3 1392 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,2,0,0,0,0|1,0,0]=3 1393 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,2,0,0,0,0|1,0,0]=3 1394 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,2,0,0,0,0|1,0,0]=3 1395 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,2,0,0,0,0|1,0,0]=3 1396 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,2,0,0,0,0|1,0,0]=3 1397 B6R0.3 CC(=C(C)CO)C MCULE-2852322197 [0,2,0,0,0,0|2,0,0]=4 1398 B6R0.3 CC(=C(F)CO)C MCULE-3552996593 [0,2,0,0,0,0|2,0,0]=4 1399 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,2,0,0,0,0|1,0,0]=3 1400 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,2,0,0,0,0|0,0,1]=3 1401 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [0,2,0,0,0,0|1,0,0]=3 1402 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [0,2,0,0,0,0|1,0,0]=3 1403 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [0,2,0,0,0,0|1,0,0]=3 1404 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [0,2,0,0,0,0|1,0,0]=3 1405 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,2,0,0,0,0|1,0,0]=3 1406 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,2,0,0,0,0|1,0,0]=3 1407 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,2,0,0,0,0|1,0,0]=3 1408 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,2,0,0,0,0|1,0,0]=3 1409 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,2,0,0,0,0|1,0,1]=4 1410 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,2,0,0,0,0|1,0,1]=4 1411 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,2,0,0,0,0|1,0,1]=4 1412 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,2,0,0,0,0|1,0,1]=4 1413 B6R0.3 CC(C)C(=O)CO MCULE-8746789873 [0,2,0,0,0,0|1,0,1]=4 1414 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,2,0,0,0,0|1,0,1]=4 1415 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,2,0,0,0,0|1,0,1]=4 1416 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,2,0,0,0,0|1,0,1]=4 1417 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,2,0,0,0,0|1,0,1]=4 1418 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,2,0,0,0,0|0,0,2]=4 1419 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,2,0,0,0,0|1,0,1]=4 1420 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,2,0,0,0,0|0,1,1]=4 1421 B6R0.3 CC(O)C(=O)NN MCULE-4510079670 [0,2,0,0,0,0|1,0,1]=4 1422 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,2,0,0,0,0|0,0,2]=4 1423 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,2,0,0,0,0|0,0,2]=4 1424 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,2,0,0,0,0|0,0,2]=4 1425 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,2,0,0,0,0|0,0,2]=4 1426 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,2,0,0,0,0|1,0,0]=3 1427 B6R0.3 CC=C(C)B(O)O MCULE-7915552360 [0,2,0,0,0,0|2,0,0]=4 1428 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [0,2,0,0,0,0|2,0,0]=4 1429 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [0,2,0,0,0,0|2,0,0]=4 1430 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,2,0,0,0,0|1,0,0]=3 1431 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,2,0,0,0,0|1,0,0]=3 1432 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,2,0,0,0,0|1,0,0]=3 1433 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,2,0,0,0,0|0,0,1]=3 1434 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,2,0,0,0,0|1,0,0]=3 1435 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,2,0,0,0,0|0,0,0]=2 1436 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,2,0,0,0,0|0,0,1]=3 1437 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [0,2,0,0,0,0|1,0,1]=4 1438 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,2,0,0,0,0|1,0,1]=4 1439 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,2,0,0,0,0|1,0,1]=4 1440 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,2,0,0,0,0|1,0,1]=4 1441 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,2,0,0,0,0|1,0,1]=4 1442 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,2,0,0,0,0|1,0,1]=4 1443 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,2,0,0,0,0|1,0,1]=4 1444 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,2,0,0,0,0|1,0,1]=4 1445 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,2,0,0,0,0|1,0,1]=4 1446 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,2,0,0,0,0|1,0,1]=4 1447 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,2,0,0,0,0|1,0,1]=4 1448 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,2,0,0,0,0|0,0,2]=4 1449 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,2,0,0,0,0|0,0,2]=4 1450 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,2,0,0,0,0|1,0,1]=4 1451 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,2,0,0,0,0|1,0,1]=4 1452 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,2,0,0,0,0|0,1,1]=4 1453 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,2,0,0,0,0|2,0,0]=4 1454 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,2,0,0,0,0|1,0,1]=4 1455 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,2,0,0,0,0|1,0,1]=4 1456 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,2,0,0,0,0|1,0,1]=4 1457 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,2,0,0,0,0|1,0,1]=4 1458 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,2,0,0,0,0|1,0,1]=4 1459 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,2,0,0,0,0|1,0,1]=4 1460 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,2,0,0,0,0|1,0,1]=4 1461 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,2,0,0,0,0|1,0,1]=4 1462 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,2,0,0,0,0|1,0,1]=4 1463 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,2,0,0,0,0|1,0,1]=4 1464 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,2,0,0,0,0|0,0,2]=4 1465 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,2,0,0,0,0|0,0,2]=4 1466 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,2,0,0,0,0|1,0,1]=4 1467 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,2,0,0,0,0|1,0,1]=4 1468 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,2,0,0,0,0|1,0,1]=4 1469 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,2,0,0,0,0|1,0,1]=4 1470 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,2,0,0,0,0|1,0,1]=4 1471 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,2,0,0,0,0|1,0,1]=4 1472 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,2,0,0,0,0|1,0,1]=4 1473 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,2,0,0,0,0|1,0,1]=4 1474 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,2,0,0,0,0|1,0,1]=4 1475 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,2,0,0,0,0|0,0,2]=4 1476 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,2,0,0,0,0|0,0,2]=4 1477 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,2,0,0,0,0|1,0,1]=4 1478 B6R0.3 CN(C)C(=O)CO MCULE-8470749078 [0,2,0,0,0,0|2,0,0]=4 1479 B6R0.3 CN(C)C(=O)NO MCULE-7406409363 [0,2,0,0,0,0|2,0,0]=4 1480 B6R0.3 CN(N)C(=O)NO MCULE-9258932516 [0,2,0,0,0,0|2,0,0]=4 1481 B6R0.3 CN(N=O)C(=O)N MCULE-7683488639 [0,2,0,0,0,0|2,0,0]=4 1482 B6R0.3 CN(O)C(=O)CN MCULE-6904940710 [0,2,0,0,0,0|1,0,1]=4 1483 B6R0.3 CN(O)C(=O)CN MCULE-7352809793 [0,2,0,0,0,0|1,0,1]=4 1484 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,2,0,0,0,0|0,0,0]=2 1485 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,2,0,0,0,0|1,0,1]=4 1486 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,2,0,0,0,0|1,0,1]=4 1487 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,2,0,0,0,0|1,0,1]=4 1488 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,2,0,0,0,0|1,0,1]=4 1489 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,2,0,0,0,0|1,0,1]=4 1490 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,2,0,0,0,0|1,0,1]=4 1491 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,2,0,0,0,0|1,0,1]=4 1492 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,2,0,0,0,0|1,0,1]=4 1493 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,2,0,0,0,0|1,0,1]=4 1494 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,2,0,0,0,0|1,0,1]=4 1495 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,2,0,0,0,0|1,0,1]=4 1496 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,2,0,0,0,0|1,0,1]=4 1497 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,2,0,0,0,0|1,0,1]=4 1498 B6R0.3 COC(=O)C(=N)N MCULE-3129647301 [0,2,0,0,0,0|1,0,0]=3 1499 B6R0.3 COC(=O)C(=N)N MCULE-4942451868 [0,2,0,0,0,0|1,0,0]=3 1500 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [0,2,0,0,0,0|0,0,0]=2 1501 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [0,2,0,0,0,0|0,0,0]=2 1502 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,2,0,0,0,0|0,0,0]=2 1503 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [0,2,0,0,0,0|0,0,0]=2 1504 B6R0.3 COC(=O)C(=S)N MCULE-8900860523 [0,2,0,0,0,0|0,1,0]=3 1505 B6R0.3 COC(=O)C(Br)Br MCULE-7917032365 [0,2,0,0,0,0|1,0,1]=4 1506 B6R0.3 COC(=O)C(C)Br MCULE-8218697195 [0,2,0,0,0,0|1,0,1]=4 1507 B6R0.3 COC(=O)C(C)C MCULE-8740211817 [0,2,0,0,0,0|1,0,1]=4 1508 B6R0.3 COC(=O)C(C)Cl MCULE-5874523100 [0,2,0,0,0,0|1,0,1]=4 1509 B6R0.3 COC(=O)C(C)Cl MCULE-7725109837 [0,2,0,0,0,0|1,0,1]=4 1510 B6R0.3 COC(=O)C(C)F MCULE-2381396302 [0,2,0,0,0,0|1,0,1]=4 1511 B6R0.3 COC(=O)C(C)N MCULE-6823731158 [0,2,0,0,0,0|1,0,1]=4 1512 B6R0.3 COC(=O)C(C)N MCULE-7003387212 [0,2,0,0,0,0|1,0,1]=4 1513 B6R0.3 COC(=O)C(C)N MCULE-8331503444 [0,2,0,0,0,0|1,0,1]=4 1514 B6R0.3 COC(=O)C(C)N MCULE-8860467123 [0,2,0,0,0,0|1,0,1]=4 1515 B6R0.3 COC(=O)C(C)O MCULE-7040827393 [0,2,0,0,0,0|0,0,2]=4 1516 B6R0.3 COC(=O)C(C)O MCULE-7872489483 [0,2,0,0,0,0|0,0,2]=4 1517 B6R0.3 COC(=O)C(C)S MCULE-8499044680 [0,2,0,0,0,0|0,1,1]=4 1518 B6R0.3 COC(=O)C(Cl)Cl MCULE-4062853805 [0,2,0,0,0,0|1,0,1]=4 1519 B6R0.3 COC(=O)C(F)F MCULE-9701476276 [0,2,0,0,0,0|1,0,1]=4 1520 B6R0.3 COC(=O)N(C)C MCULE-7772743169 [0,2,0,0,0,0|2,0,0]=4 1521 B6R0.3 COC(=O)N(C)N MCULE-4131925989 [0,2,0,0,0,0|2,0,0]=4 1522 B6R0.3 COC(=O)[C@@H](C)Br MCULE-8118895575 [0,2,0,0,0,0|1,0,1]=4 1523 B6R0.3 COC(=O)[C@@H](C)Cl MCULE-1037727130 [0,2,0,0,0,0|1,0,1]=4 1524 B6R0.3 COC(=O)[C@@H](C)F MCULE-4776326501 [0,2,0,0,0,0|1,0,1]=4 1525 B6R0.3 COC(=O)[C@@H](C)F MCULE-8049982812 [0,2,0,0,0,0|1,0,1]=4 1526 B6R0.3 COC(=O)[C@@H](C)N MCULE-6142127864 [0,2,0,0,0,0|1,0,1]=4 1527 B6R0.3 COC(=O)[C@@H](C)N MCULE-6606835410 [0,2,0,0,0,0|1,0,1]=4 1528 B6R0.3 COC(=O)[C@@H](C)N MCULE-7979979694 [0,2,0,0,0,0|1,0,1]=4 1529 B6R0.3 COC(=O)[C@@H](C)N MCULE-9290287586 [0,2,0,0,0,0|1,0,1]=4 1530 B6R0.3 COC(=O)[C@@H](C)O MCULE-5441095431 [0,2,0,0,0,0|0,0,2]=4 1531 B6R0.3 COC(=O)[C@@H](C)O MCULE-6924152779 [0,2,0,0,0,0|0,0,2]=4 1532 B6R0.3 COC(=O)[C@H](C)Cl MCULE-1009662992 [0,2,0,0,0,0|1,0,1]=4 1533 B6R0.3 COC(=O)[C@H](C)Cl MCULE-7624485295 [0,2,0,0,0,0|1,0,1]=4 1534 B6R0.3 COC(=O)[C@H](C)N MCULE-1665306037 [0,2,0,0,0,0|1,0,1]=4 1535 B6R0.3 COC(=O)[C@H](C)N MCULE-2941352505 [0,2,0,0,0,0|1,0,1]=4 1536 B6R0.3 COC(=O)[C@H](C)N MCULE-5314047552 [0,2,0,0,0,0|1,0,1]=4 1537 B6R0.3 COC(=O)[C@H](C)N MCULE-7930428859 [0,2,0,0,0,0|1,0,1]=4 1538 B6R0.3 COC(=O)[C@H](C)O MCULE-2590929895 [0,2,0,0,0,0|0,0,2]=4 1539 B6R0.3 COC(=O)[C@H](C)O MCULE-3292709954 [0,2,0,0,0,0|0,0,2]=4 1540 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,2,0,0,0,0|1,0,1]=4 1541 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,2,0,0,0,0|0,0,2]=4 1542 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,2,0,0,0,0|1,0,1]=4 1543 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,2,0,0,0,0|1,0,1]=4 1544 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,2,0,0,0,0|0,0,2]=4 1545 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,2,0,0,0,0|2,0,0]=4 1546 B6R0.3 CON(C)C(=O)Cl MCULE-7217619495 [0,2,0,0,0,0|2,0,0]=4 1547 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,2,0,0,0,0|1,0,1]=4 1548 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,2,0,0,0,0|0,0,2]=4 1549 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,2,0,0,0,0|0,0,2]=4 1550 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,2,0,0,0,0|0,0,2]=4 1551 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,2,0,0,0,0|0,0,2]=4 1552 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,2,0,0,0,0|0,1,1]=4 1553 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,2,0,0,0,0|1,0,1]=4 1554 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,2,0,0,0,0|1,0,1]=4 1555 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,2,0,0,0,0|1,0,1]=4 1556 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,2,0,0,0,0|1,0,1]=4 1557 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,2,0,0,0,0|0,0,2]=4 1558 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,2,0,0,0,0|0,0,2]=4 1559 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,2,0,0,0,0|0,0,2]=4 1560 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,2,0,0,0,0|0,0,2]=4 1561 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,2,0,0,0,0|1,0,1]=4 1562 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,2,0,0,0,0|1,0,1]=4 1563 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,2,0,0,0,0|1,0,1]=4 1564 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,2,0,0,0,0|1,0,1]=4 1565 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,2,0,0,0,0|0,0,2]=4 1566 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,2,0,0,0,0|0,0,2]=4 1567 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,2,0,0,0,0|1,0,1]=4 1568 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,2,0,0,0,0|0,0,2]=4 1569 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,2,0,0,0,0|0,0,2]=4 1570 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,2,0,0,0,0|1,0,0]=3 1571 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,2,0,0,0,0|1,0,1]=4 1572 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,2,0,0,0,0|1,0,1]=4 1573 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,2,0,0,0,0|1,0,1]=4 1574 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,2,0,0,0,0|1,0,1]=4 1575 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,2,0,0,0,0|1,0,1]=4 1576 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,2,0,0,0,0|1,0,1]=4 1577 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,2,0,0,0,0|1,0,1]=4 1578 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,2,0,0,0,0|1,0,1]=4 1579 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,2,0,0,0,0|1,0,1]=4 1580 B6R0.3 NC(=S)/C(=N/O)/N MCULE-1544637781 [0,2,0,0,0,0|1,1,0]=4 1581 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,2,0,0,0,0|1,0,1]=4 1582 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,2,0,0,0,0|1,0,1]=4 1583 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,2,0,0,0,0|1,0,1]=4 1584 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,2,0,0,0,0|1,0,1]=4 1585 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,2,0,0,0,0|0,0,2]=4 1586 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,2,0,0,0,0|0,0,2]=4 1587 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,2,0,0,0,0|0,1,1]=4 1588 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,2,0,0,0,0|0,1,1]=4 1589 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,2,0,0,0,0|0,1,1]=4 1590 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,2,0,0,0,0|0,1,1]=4 1591 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,2,0,0,0,0|1,0,1]=4 1592 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,2,0,0,0,0|1,0,1]=4 1593 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,2,0,0,0,0|1,0,1]=4 1594 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,2,0,0,0,0|1,0,1]=4 1595 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,2,0,0,0,0|1,0,1]=4 1596 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,2,0,0,0,0|1,0,1]=4 1597 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,2,0,0,0,0|1,0,1]=4 1598 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,2,0,0,0,0|1,0,1]=4 1599 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,2,0,0,0,0|1,0,1]=4 1600 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,2,0,0,0,0|1,0,1]=4 1601 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,2,0,0,0,0|1,0,1]=4 1602 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,2,0,0,0,0|0,0,2]=4 1603 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,2,0,0,0,0|0,0,2]=4 1604 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,2,0,0,0,0|1,0,1]=4 1605 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,2,0,0,0,0|1,0,1]=4 1606 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,2,0,0,0,0|1,0,1]=4 1607 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,2,0,0,0,0|1,0,1]=4 1608 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,2,0,0,0,0|1,0,1]=4 1609 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,2,0,0,0,0|1,0,1]=4 1610 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,2,0,0,0,0|1,0,1]=4 1611 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,2,0,0,0,0|0,0,2]=4 1612 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,2,0,0,0,0|0,0,2]=4 1613 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,2,0,0,0,0|1,0,1]=4 1614 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,2,0,0,0,0|1,0,1]=4 1615 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,2,0,0,0,0|1,0,1]=4 1616 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,2,0,0,0,0|1,0,1]=4 1617 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,2,0,0,0,0|1,0,1]=4 1618 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,2,0,0,0,0|1,0,1]=4 1619 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,2,0,0,0,0|1,0,1]=4 1620 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,2,0,0,0,0|1,0,1]=4 1621 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,2,0,0,0,0|1,0,1]=4 1622 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,2,0,0,0,0|1,0,1]=4 1623 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,2,0,0,0,0|0,0,2]=4 1624 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,2,0,0,0,0|0,0,2]=4 1625 B6R0.3 NNC(=O)C(=O)N MCULE-5080628360 [0,2,0,0,0,0|1,0,0]=3 1626 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,2,0,0,0,0|1,0,1]=4 1627 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,2,0,0,0,0|1,0,1]=4 1628 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,2,0,0,0,0|1,0,1]=4 1629 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,2,0,0,0,0|1,0,1]=4 1630 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,2,0,0,0,0|0,0,2]=4 1631 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,2,0,0,0,0|0,0,2]=4 1632 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,2,0,0,0,0|0,0,2]=4 1633 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,2,0,0,0,0|0,0,2]=4 1634 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,2,0,0,0,0|0,1,1]=4 1635 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,2,0,0,0,0|0,1,1]=4 1636 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,2,0,0,0,0|0,1,1]=4 1637 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,2,0,0,0,0|0,1,1]=4 1638 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,2,0,0,0,0|1,0,1]=4 1639 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,2,0,0,0,0|1,0,1]=4 1640 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,2,0,0,0,0|1,0,1]=4 1641 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,2,0,0,0,0|1,0,1]=4 1642 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,2,0,0,0,0|1,0,1]=4 1643 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,2,0,0,0,0|1,0,1]=4 1644 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,2,0,0,0,0|0,0,2]=4 1645 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,2,0,0,0,0|0,0,2]=4 1646 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,2,0,0,0,0|0,1,1]=4 1647 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,2,0,0,0,0|0,1,1]=4 1648 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,2,0,0,0,0|0,1,1]=4 1649 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,2,0,0,0,0|0,1,1]=4 1650 B6R0.3 O=C(Cl)/C(=C/Cl)/Cl MCULE-1765210878 [0,2,0,0,0,0|2,0,0]=4 1651 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [0,2,0,0,0,0|1,0,0]=3 1652 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [0,2,0,0,0,0|1,0,0]=3 1653 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [0,2,0,0,0,0|1,0,0]=3 1654 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,2,0,0,0,0|0,0,0]=2 1655 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,2,0,0,0,0|0,0,0]=2 1656 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,2,0,0,0,0|0,0,0]=2 1657 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,2,0,0,0,0|0,0,0]=2 1658 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,2,0,0,0,0|0,0,0]=2 1659 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,2,0,0,0,0|1,0,1]=4 1660 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,2,0,0,0,0|1,0,1]=4 1661 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,2,0,0,0,0|0,0,2]=4 1662 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,2,0,0,0,0|1,0,1]=4 1663 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,2,0,0,0,0|0,0,2]=4 1664 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,2,0,0,0,0|1,0,1]=4 1665 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,2,0,0,0,0|0,0,2]=4 1666 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,2,0,0,0,0|0,0,2]=4 1667 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,2,0,0,0,0|0,0,2]=4 1668 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,2,0,0,0,0|0,0,2]=4 1669 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,2,0,0,0,0|0,0,2]=4 1670 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,2,0,0,0,0|0,0,2]=4 1671 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,2,0,0,0,0|0,0,2]=4 1672 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,2,0,0,0,0|0,0,2]=4 1673 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,2,0,0,0,0|0,0,2]=4 1674 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,2,0,0,0,0|0,0,2]=4 1675 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,2,0,0,0,0|0,0,2]=4 1676 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [0,2,0,0,0,0|0,0,1]=3 1677 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [0,2,0,0,0,0|0,0,1]=3 1678 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,2,0,0,0,0|0,0,2]=4 1679 B6R0.3 OCC(=C(F)F)F MCULE-9266336086 [0,2,0,0,0,0|2,0,0]=4 1680 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,2,0,0,0,0|1,0,0]=3 1681 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,2,0,0,0,0|1,0,1]=4 1682 B6R0.3 [C@H](C)(Cl)C(=O)OC MCULE-7212330759 [0,2,0,0,0,0|1,0,1]=4 1683 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,2,0,0,0,0|1,0,1]=4 1684 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,2,0,0,0,0|1,0,1]=4 1685 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,2,0,0,0,0|0,1,1]=4 1686 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,2,0,0,0,0|0,1,1]=4 1687 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [0,2,0,0,0,0|1,0,1]=4 1688 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [0,2,0,0,0,0|2,0,0]=4 1689 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,2,0,0,0,0|2,0,0]=4 1690 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [0,2,0,0,0,0|1,0,0]=3 1691 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [0,2,0,0,0,0|2,0,0]=4 1692 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [0,2,0,0,0,0|1,0,0]=3 1693 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [0,2,0,0,0,0|1,0,0]=3 1694 B6R0.4 C=CC=CC(=O)Cl MCULE-6383997047 [0,2,0,0,0,0|2,0,0]=4 1695 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [0,2,0,0,0,0|1,0,0]=3 1696 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [0,2,0,0,0,0|2,0,0]=4 1697 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [0,2,0,0,0,0|2,0,0]=4 1698 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,2,0,0,0,0|2,0,0]=4 1699 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,2,0,0,0,0|1,0,0]=3 1700 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [0,2,0,0,0,0|2,0,0]=4 1701 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [0,2,0,0,0,0|2,0,0]=4 1702 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,2,0,0,0,0|2,0,0]=4 1703 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [0,2,0,0,0,0|2,0,0]=4 1704 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,2,0,0,0,0|2,0,0]=4 1705 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,2,0,0,0,0|1,0,0]=3 1706 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [0,2,0,0,0,0|1,0,1]=4 1707 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [0,2,0,0,0,0|2,0,0]=4 1708 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,2,0,0,0,0|1,0,0]=3 1709 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [0,2,0,0,0,0|2,0,0]=4 1710 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [0,2,0,0,0,0|1,0,0]=3 1711 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [0,2,0,0,0,0|1,0,0]=3 1712 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [0,2,0,0,0,0|2,0,0]=4 1713 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [0,2,0,0,0,0|1,0,1]=4 1714 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [0,2,0,0,0,0|2,0,0]=4 1715 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [0,2,0,0,0,0|2,0,0]=4 1716 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [0,2,0,0,0,0|1,0,0]=3 1717 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,2,0,0,0,0|1,0,1]=4 1718 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,2,0,0,0,0|1,0,1]=4 1719 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,2,0,0,0,0|1,0,1]=4 1720 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,2,0,0,0,0|0,0,2]=4 1721 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,2,0,0,0,0|0,1,1]=4 1722 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,2,0,0,0,0|1,0,1]=4 1723 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,2,0,0,0,0|1,0,1]=4 1724 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [0,2,0,0,0,0|1,0,1]=4 1725 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [0,2,0,0,0,0|0,0,1]=3 1726 B6R0.4 COC=CC(=O)C MCULE-4868833764 [0,2,0,0,0,0|1,0,1]=4 1727 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [0,2,0,0,0,0|1,0,1]=4 1728 B6R0.4 COC=CC(=O)O MCULE-4252899122 [0,2,0,0,0,0|0,0,1]=3 1729 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,2,0,0,0,0|0,0,2]=4 1730 B6R0.4 CON=CC(=O)O MCULE-6800819509 [0,2,0,0,0,0|0,0,1]=3 1731 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,2,0,0,0,0|0,1,1]=4 1732 B6R0.4 CSSCC(=O)O MCULE-5829510166 [0,2,0,0,0,0|0,1,1]=4 1733 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [0,2,0,0,0,0|1,0,0]=3 1734 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [0,2,0,0,0,0|1,0,1]=4 1735 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [0,2,0,0,0,0|0,1,1]=4 1736 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [0,2,0,0,0,0|1,0,1]=4 1737 B6R0.4 N/N=C/NC(=O)N MCULE-6272806279 [0,2,0,0,0,0|2,0,0]=4 1738 B6R0.4 N/N=C/NC(=O)N MCULE-7518775080 [0,2,0,0,0,0|2,0,0]=4 1739 B6R0.4 NC(=S)NNC=O MCULE-5309261345 [0,2,0,0,0,0|1,1,0]=4 1740 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [0,2,0,0,0,0|1,0,0]=3 1741 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [0,2,0,0,0,0|1,0,1]=4 1742 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [0,2,0,0,0,0|1,0,0]=3 1743 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [0,2,0,0,0,0|1,0,0]=3 1744 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,2,0,0,0,0|1,0,1]=4 1745 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,2,0,0,0,0|1,0,1]=4 1746 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,2,0,0,0,0|0,0,2]=4 1747 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,2,0,0,0,0|0,0,2]=4 1748 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [0,2,0,0,0,0|1,0,0]=3 1749 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [0,2,0,0,0,0|1,0,0]=3 1750 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [0,2,0,0,0,0|0,0,1]=3 1751 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [0,2,0,0,0,0|1,0,1]=4 1752 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [0,2,0,0,0,0|1,0,1]=4 1753 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [0,2,0,0,0,0|0,0,2]=4 1754 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [0,2,0,0,0,0|1,0,0]=3 1755 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [0,2,0,0,0,0|1,0,0]=3 1756 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [0,2,0,0,0,0|0,0,1]=3 1757 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,2,0,0,0,0|1,0,1]=4 1758 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,2,0,0,0,0|1,0,1]=4 1759 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,2,0,0,0,0|1,0,1]=4 1760 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,2,0,0,0,0|1,0,1]=4 1761 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,2,0,0,0,0|0,1,1]=4 1762 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,2,0,0,0,0|0,0,2]=4 1763 B6R0.4 O=CC=CB(O)O MCULE-4655446000 [0,2,0,0,0,0|1,0,1]=4 1764 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,2,0,0,0,0|0,0,0]=2 1765 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [0,2,0,0,0,0|1,0,1]=4 1766 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [0,2,0,0,0,0|0,0,0]=2 1767 B6R0.5 C/C=C\P(=O)(O)O MCULE-8382984782 [0,2,0,0,0,0|2,0,0]=4 1768 B6R0.5 C=CCS(=O)(=O)O MCULE-2373600268 [0,2,0,0,0,0|2,0,0]=4 1769 B6R0.5 CC=CP(=O)(O)O MCULE-3593796042 [0,2,0,0,0,0|2,0,0]=4 1770 B6R0.5 O=CCS(=O)(=O)O MCULE-1262210475 [0,2,0,0,0,0|1,0,0]=3 1771 B6R0.5 O=CCS(=O)(=O)[O-] MCULE-2577471949 [0,2,0,0,0,0|1,0,1]=4 1772 B6R0.5 O=NOS(=O)(=O)O MCULE-1867727702 [0,2,0,0,0,0|2,0,0]=4 1773 B6R0.8 CC(C)(C=O)CO MCULE-9744921245 [0,2,0,0,0,0|1,0,1]=4 1774 B6R0.8 O=CC(O)(O)C=O MCULE-5955049749 [0,2,0,0,0,0|0,0,1]=3 1775 B6R0.9 C/C=C(/C=O)\CC MCULE-4811305564 [0,2,0,0,0,0|2,0,0]=4 1776 B6R0.9 CC=C(C=O)CC MCULE-3354209980 [0,2,0,0,0,0|2,0,0]=4 1777 B6R0.9 COC(C=O)OC MCULE-7354932286 [0,2,0,0,0,0|0,0,2]=4 1778 B6R0.9 N#CC(=CN)C=O MCULE-8372425513 [0,2,0,0,0,0|2,0,0]=4 1779 B6R0.9 O=CC(C=O)C=O MCULE-4159404366 [0,2,0,0,0,0|0,0,2]=4 1780 B6R0.7 C=C(C)P(=O)(O)O MCULE-4023318169 [0,2,0,0,0,0|2,0,0]=4 1781 B6R0.7 CC(=O)C(C)(C)O MCULE-1535627387 [0,2,0,0,0,0|1,0,1]=4 1782 B6R0.7 CC(Br)(Br)C(=O)O MCULE-1654765678 [0,2,0,0,0,0|1,0,1]=4 1783 B6R0.7 CC(C)(Br)C(=O)O MCULE-9443967216 [0,2,0,0,0,0|1,0,1]=4 1784 B6R0.7 CC(C)(C)C(=O)O MCULE-7166067227 [0,2,0,0,0,0|1,0,1]=4 1785 B6R0.7 CC(C)(Cl)C(=O)O MCULE-4744644193 [0,2,0,0,0,0|1,0,1]=4 1786 B6R0.7 CC(C)(F)C(=O)O MCULE-9323110637 [0,2,0,0,0,0|1,0,1]=4 1787 B6R0.7 CC(C)(N)C(=O)O MCULE-4254251799 [0,2,0,0,0,0|1,0,1]=4 1788 B6R0.7 CC(C)(N)C(=O)O MCULE-6175880842 [0,2,0,0,0,0|1,0,1]=4 1789 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [0,2,0,0,0,0|1,0,1]=4 1790 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [0,2,0,0,0,0|0,0,2]=4 1791 B6R0.7 CC(C)(S)C(=O)O MCULE-1863706684 [0,2,0,0,0,0|0,1,1]=4 1792 B6R0.7 CC(Cl)(Cl)C(=O)O MCULE-8201912740 [0,2,0,0,0,0|1,0,1]=4 1793 B6R0.7 CC(F)(Br)C(=O)O MCULE-5584369540 [0,2,0,0,0,0|1,0,1]=4 1794 B6R0.7 CC(F)(F)C(=O)O MCULE-3936632737 [0,2,0,0,0,0|1,0,1]=4 1795 B6R0.7 N=C(N)S(=O)(=O)O MCULE-9630791590 [0,2,0,0,0,0|2,0,0]=4 1796 B6R0.7 O=C(O)C(Br)(Br)Br MCULE-4004191582 [0,2,0,0,0,0|1,0,1]=4 1797 B6R0.7 O=C(O)C(Cl)(Br)Br MCULE-9131760998 [0,2,0,0,0,0|1,0,1]=4 1798 B6R0.7 O=C(O)C(Cl)(Cl)Cl MCULE-1368734775 [0,2,0,0,0,0|1,0,1]=4 1799 B6R0.7 O=C(O)C(F)(Br)Br MCULE-7267386731 [0,2,0,0,0,0|1,0,1]=4 1800 B6R0.7 O=C(O)C(F)(Cl)Cl MCULE-2262288122 [0,2,0,0,0,0|1,0,1]=4 1801 B6R0.7 O=C(O)C(F)(F)Br MCULE-2634780711 [0,2,0,0,0,0|1,0,1]=4 1802 B6R0.7 O=C(O)C(F)(F)Cl MCULE-4915780097 [0,2,0,0,0,0|1,0,1]=4 1803 B6R0.7 O=C(O)C(F)(F)F MCULE-1123900266 [0,2,0,0,0,0|1,0,1]=4 1804 B6R0.7 O=C(O)C(F)(F)F MCULE-1306154157 [0,2,0,0,0,0|1,0,1]=4 1805 B6R0.7 O=C(O)C(F)(F)F MCULE-1561231965 [0,2,0,0,0,0|1,0,1]=4 1806 B6R0.7 O=C(O)C(F)(F)F MCULE-1816747517 [0,2,0,0,0,0|1,0,1]=4 1807 B6R0.7 O=C(O)C(F)(F)F MCULE-2319878190 [0,2,0,0,0,0|1,0,1]=4 1808 B6R0.7 O=C(O)C(F)(F)F MCULE-2350887018 [0,2,0,0,0,0|1,0,1]=4 1809 B6R0.7 O=C(O)C(F)(F)F MCULE-3649131132 [0,2,0,0,0,0|1,0,1]=4 1810 B6R0.7 O=C(O)C(F)(F)F MCULE-4102655453 [0,2,0,0,0,0|1,0,1]=4 1811 B6R0.7 O=C(O)C(F)(F)F MCULE-4310110442 [0,2,0,0,0,0|1,0,1]=4 1812 B6R0.7 O=C(O)C(F)(F)F MCULE-4552778330 [0,2,0,0,0,0|1,0,1]=4 1813 B6R0.7 O=C(O)C(F)(F)F MCULE-7120837354 [0,2,0,0,0,0|1,0,1]=4 1814 B6R0.7 O=C(O)C(F)(F)F MCULE-7149887430 [0,2,0,0,0,0|1,0,1]=4 1815 B6R0.7 O=C(O)C(F)(F)F MCULE-7852591452 [0,2,0,0,0,0|1,0,1]=4 1816 B6R0.7 O=C(O)C(F)(F)F MCULE-8109453485 [0,2,0,0,0,0|1,0,1]=4 1817 B6R0.7 O=C(O)C(F)(F)F MCULE-8676558809 [0,2,0,0,0,0|1,0,1]=4 1818 B6R0.7 O=C(O)C(F)(F)F MCULE-9277867041 [0,2,0,0,0,0|1,0,1]=4 1819 B6R0.7 O=C(O)C(F)(F)F MCULE-9449194409 [0,2,0,0,0,0|1,0,1]=4 1820 B6R0.7 O=C(O)C(F)(F)F MCULE-9734884974 [0,2,0,0,0,0|1,0,1]=4 1821 B6R0.7 O=C(O)C(F)(F)F MCULE-9976402631 [0,2,0,0,0,0|1,0,1]=4 1822 B6R0.7 O=C(O)C(F)(F)I MCULE-5082044093 [0,2,0,0,0,0|1,0,1]=4 1823 B6R0.7 O=C(O)P(=O)(O)O MCULE-6294437098 [0,2,0,0,0,0|1,0,0]=3 1824 B6R0.7 O=C([O-])P(=O)([O-])[O-] MCULE-3583752909 [0,2,0,0,0,0|1,0,1]=4 1825 B6R1.2 BrC1=CC=CO1 MCULE-5734064318 [0,1,0,1,0,0|2,0,0]=4 1826 B6R1.2 BrC1=CC=NO1 MCULE-9219362534 [0,1,0,1,0,0|2,0,0]=4 1827 B6R1.2 BrC1=CN=CO1 MCULE-5651145478 [0,1,0,1,0,0|2,0,0]=4 1828 B6R1.2 BrC1=CN=CO1 MCULE-8656599411 [0,1,0,1,0,0|2,0,0]=4 1829 B6R1.2 BrC1=COC=C1 MCULE-7282301463 [0,1,0,1,0,0|2,0,0]=4 1830 B6R1.2 BrC1=CON=C1 MCULE-7025802564 [0,1,0,1,0,0|2,0,0]=4 1831 B6R1.2 BrC1=NC=CO1 MCULE-2104886923 [0,1,0,1,0,0|2,0,0]=4 1832 B6R1.2 BrC1=NC=CO1 MCULE-2745860961 [0,1,0,1,0,0|2,0,0]=4 1833 B6R1.2 BrC1=NOC=C1 MCULE-1786338778 [0,1,0,1,0,0|2,0,0]=4 1834 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [0,1,0,1,0,0|2,0,0]=4 1835 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [0,1,0,1,0,0|2,0,0]=4 1836 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,1,0,1,0,0|2,0,0]=4 1837 B6R1.2 CC1=CN=CO1 MCULE-4609626879 [0,1,0,1,0,0|2,0,0]=4 1838 B6R1.2 CC1=COC=C1 MCULE-1597223627 [0,1,0,1,0,0|2,0,0]=4 1839 B6R1.2 CC1=CON=C1 MCULE-4312100714 [0,1,0,1,0,0|2,0,0]=4 1840 B6R1.2 CC1=NC=CO1 MCULE-7894525701 [0,1,0,1,0,0|2,0,0]=4 1841 B6R1.2 CC1=NOC=C1 MCULE-1572732397 [0,1,0,1,0,0|2,0,0]=4 1842 B6R1.2 CC1=NON=C1 MCULE-7563934145 [0,1,0,1,0,0|2,0,0]=4 1843 B6R1.2 ClC1=CC=CO1 MCULE-3538307465 [0,1,0,1,0,0|2,0,0]=4 1844 B6R1.2 ClC1=NC=CO1 MCULE-1860416745 [0,1,0,1,0,0|2,0,0]=4 1845 B6R1.2 ClC1=NC=CO1 MCULE-4765528658 [0,1,0,1,0,0|2,0,0]=4 1846 B6R1.2 IC1=CC=CO1 MCULE-6467830719 [0,1,0,1,0,0|2,0,0]=4 1847 B6R1.2 IC1=CON=C1 MCULE-4450603437 [0,1,0,1,0,0|2,0,0]=4 1848 B6R1.2 IC1=NC=CO1 MCULE-2254947090 [0,1,0,1,0,0|2,0,0]=4 1849 B6R1.2 NC1=CC=CO1 MCULE-2421139965 [0,1,0,1,0,0|2,0,0]=4 1850 B6R1.2 NC1=CC=NO1 MCULE-3638275568 [0,1,0,1,0,0|2,0,0]=4 1851 B6R1.2 NC1=CN=CO1 MCULE-4492961257 [0,1,0,1,0,0|2,0,0]=4 1852 B6R1.2 NC1=COC=C1 MCULE-1858324031 [0,1,0,1,0,0|2,0,0]=4 1853 B6R1.2 NC1=COC=C1 MCULE-3985426542 [0,1,0,1,0,0|2,0,0]=4 1854 B6R1.2 NC1=CON=C1 MCULE-2373604754 [0,1,0,1,0,0|2,0,0]=4 1855 B6R1.2 NC1=CON=C1 MCULE-7932471087 [0,1,0,1,0,0|2,0,0]=4 1856 B6R1.2 NC1=NC=CO1 MCULE-7316590930 [0,1,0,1,0,0|2,0,0]=4 1857 B6R1.2 NC1=NOC=C1 MCULE-5363092492 [0,1,0,1,0,0|2,0,0]=4 1858 B6R1.2 NC1=NON=C1 MCULE-1928445544 [0,1,0,1,0,0|2,0,0]=4 1859 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [0,1,0,1,0,0|2,0,0]=4 1860 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [0,1,0,1,0,0|2,0,0]=4 1861 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [0,1,0,1,0,0|1,0,0]=3 1862 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [0,1,0,1,0,0|1,1,0]=4 1863 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [0,1,0,1,0,0|2,0,0]=4 1864 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [0,1,0,1,0,0|1,1,0]=4 1865 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [0,1,0,1,0,0|1,1,0]=4 1866 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [0,1,0,1,0,0|2,0,0]=4 1867 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [0,1,0,1,0,0|2,0,0]=4 1868 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,1,0,1,0,0|1,0,1]=4 1869 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,1,0,1,0,0|1,0,1]=4 1870 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,1,0,1,0,0|1,0,1]=4 1871 B6R1.2 O=C1N=CN=N1 MCULE-3721166402 [0,1,0,1,0,0|2,0,0]=4 1872 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [0,1,0,1,0,0|2,0,0]=4 1873 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [0,1,0,1,0,0|1,0,0]=3 1874 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [0,1,0,1,0,0|1,1,0]=4 1875 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [0,1,0,1,0,0|2,0,0]=4 1876 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,1,0,1,0,0|1,0,1]=4 1877 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [0,1,0,1,0,0|1,0,0]=3 1878 B6R1.2 O=C1OCCO1 MCULE-9493253045 [0,1,0,1,0,0|1,0,1]=4 1879 B6R1.2 OC1=CC=CO1 MCULE-7591676996 [0,1,0,1,0,0|1,0,1]=4 1880 B6R1.2 OC1=CC=CS1 MCULE-8044830478 [0,1,0,1,0,0|1,1,0]=4 1881 B6R1.2 OC1=CC=NN1 MCULE-9109008036 [0,1,0,1,0,0|2,0,0]=4 1882 B6R1.2 OC1=CN=CS1 MCULE-4004908551 [0,1,0,1,0,0|1,1,0]=4 1883 B6R1.2 OC1=CNC=C1 MCULE-3938204755 [0,1,0,1,0,0|2,0,0]=4 1884 B6R1.2 OC1=CNC=N1 MCULE-1911765165 [0,1,0,1,0,0|2,0,0]=4 1885 B6R1.2 OC1=CNN=C1 MCULE-5672706063 [0,1,0,1,0,0|2,0,0]=4 1886 B6R1.2 OC1=CNN=C1 MCULE-5774317326 [0,1,0,1,0,0|2,0,0]=4 1887 B6R1.2 OC1=CON=C1 MCULE-9622003135 [0,1,0,1,0,0|1,0,1]=4 1888 B6R1.2 OC1=CSC=C1 MCULE-2226095386 [0,1,0,1,0,0|1,1,0]=4 1889 B6R1.2 OC1=NN=CO1 MCULE-5444445027 [0,1,0,1,0,0|2,0,0]=4 1890 B6R1.2 OC1=NN=CS1 MCULE-9934931556 [0,1,0,1,0,0|2,0,0]=4 1891 B6R1.2 OC1=NOC=C1 MCULE-6441945551 [0,1,0,1,0,0|1,0,1]=4 1892 B6R1.2 OC1=NSN=C1 MCULE-1499049623 [0,1,0,1,0,0|1,1,0]=4 1893 B6R1.2 S=C1NC=CO1 MCULE-6706918798 [0,1,0,1,0,0|1,1,0]=4 1894 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,1,0,1,0,0|1,0,0]=3 1895 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,1,0,1,0,0|1,0,1]=4 1896 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,1,0,1,0,0|1,0,1]=4 1897 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,1,0,1,0,0|1,0,1]=4 1898 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,1,0,1,0,0|1,0,1]=4 1899 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,1,0,1,0,0|1,0,1]=4 1900 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,1,0,1,0,0|1,0,1]=4 1901 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,1,0,1,0,0|1,0,1]=4 1902 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,1,0,1,0,0|0,0,2]=4 1903 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,1,0,1,0,0|1,0,1]=4 1904 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,1,0,1,0,0|1,0,1]=4 1905 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,1,0,1,0,0|0,0,2]=4 1906 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,1,0,1,0,0|0,0,2]=4 1907 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [0,1,0,1,0,0|1,0,1]=4 1908 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [0,1,0,1,0,0|1,0,1]=4 1909 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [0,1,0,1,0,0|1,0,1]=4 1910 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [0,1,0,1,0,0|1,0,1]=4 1911 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [0,1,0,1,0,0|1,0,1]=4 1912 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [0,1,0,1,0,0|1,0,1]=4 1913 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [0,1,0,1,0,0|1,0,1]=4 1914 B6R1.4 CC1COC1=O MCULE-9711165188 [0,1,0,1,0,0|1,0,1]=4 1915 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,1,0,1,0,0|1,0,1]=4 1916 B6R1.4 NC1COC1=O MCULE-6998565452 [0,1,0,1,0,0|1,0,1]=4 1917 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,1,0,1,0,0|1,0,1]=4 1918 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,1,0,1,0,0|1,0,1]=4 1919 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,1,0,1,0,0|1,0,1]=4 1920 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,1,0,1,0,0|1,0,1]=4 1921 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,1,0,1,0,0|1,0,1]=4 1922 B6R1.6 O=CC1COC1 MCULE-3773699476 [0,1,0,1,0,0|1,0,1]=4