0 B5R0.1 C#CCC(=O)O MCULE-4680699666 [0,0,0,0,0,0|0,0,3]=3 1 B5R0.1 C/C(=C/C#N)/N MCULE-2195544039 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C/C(=C/CI)/I MCULE-4907089043 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C/C(=C\CCl)/Cl MCULE-6679259233 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C/C=C/B(O)O MCULE-6649221952 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [0,0,0,0,0,0|0,0,0]=0 11 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.1 C/C=C\B(O)O MCULE-3000711987 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.1 C=C(Br)COC MCULE-5349428431 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C=C(C)CCC MCULE-8225129744 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 C=C(C)OCC MCULE-5303468686 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 C=CC=C(C)C MCULE-7590870659 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.1 C=CC=C(Cl)Cl MCULE-3787858961 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.1 C=CCB(O)O MCULE-2306600658 [0,0,0,0,0,0|1,0,3]=4 22 B5R0.1 C=CCC(=C)C MCULE-6294070836 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.1 C=CCC(=N)N MCULE-6305125234 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [0,0,0,0,0,0|1,0,2]=3 25 B5R0.1 C=CCC(=O)N MCULE-1205335257 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.1 C=CCC(=O)O MCULE-6288979337 [0,0,0,0,0,0|0,0,2]=2 27 B5R0.1 C=CCC(C)O MCULE-7724200334 [0,0,0,0,0,0|1,0,3]=4 28 B5R0.1 C=CCC(C)O MCULE-9910771503 [0,0,0,0,0,0|1,0,3]=4 29 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [0,0,0,0,0,0|1,0,3]=4 30 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [0,0,0,0,0,0|1,0,3]=4 31 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [0,0,0,0,0,0|1,0,3]=4 32 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [0,0,0,0,0,0|1,0,3]=4 33 B5R0.1 C=CNC(=O)C MCULE-1260296806 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.1 C=CNC(=O)N MCULE-4235216182 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 C=COC(=O)C MCULE-7626795765 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [0,0,0,0,0,0|0,0,3]=3 38 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.1 CC#CC(=O)C MCULE-4083248904 [0,0,0,0,0,0|1,0,2]=3 40 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [0,0,0,0,0,0|1,0,2]=3 41 B5R0.1 CC#CC(=O)O MCULE-9994142213 [0,0,0,0,0,0|0,0,2]=2 42 B5R0.1 CC#CC(C)O MCULE-5523814936 [0,0,0,0,0,0|1,0,3]=4 43 B5R0.1 CC(=CC#N)C MCULE-7179601066 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.1 CC(=CC#N)N MCULE-7342293837 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.1 CC(=CC=O)C MCULE-7002222435 [0,0,0,0,0,0|3,0,0]=3 46 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [0,0,0,0,0,0|3,0,0]=3 47 B5R0.1 CC(=CC=O)N MCULE-2659507627 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.1 CC(=CCBr)C MCULE-7961276795 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.1 CC(=CCCl)C MCULE-1110417103 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.1 CC(=CCCl)Cl MCULE-9735045489 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.1 CC(=CCI)I MCULE-4204968539 [0,0,0,0,0,0|3,0,1]=4 52 B5R0.1 CC(=CCN)C MCULE-7220252581 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.1 CC(=CCN)C MCULE-8394581250 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [0,0,0,0,0,0|3,0,1]=4 56 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,0,0,0,0,0|3,0,1]=4 57 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,0,0,0,0,0|3,0,1]=4 58 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.1 CC(=CCS)C MCULE-4180446913 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,0,0,0,0,0|3,0,0]=3 61 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,0,0,0,0,0|3,0,0]=3 62 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [0,0,0,0,0,0|2,0,1]=3 63 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,0,0,0,0,0|3,0,0]=3 64 B5R0.1 CC(=O)CC#N MCULE-7203242552 [0,0,0,0,0,0|2,0,2]=4 65 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,0,0,0,0,0|2,0,2]=4 67 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,0,0,0,0,0|2,0,2]=4 68 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,0,0,0,0,0|2,0,2]=4 69 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,0,0,0,0,0|2,0,2]=4 70 B5R0.1 CC(=O)N=C=S MCULE-7540453687 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [0,0,0,0,0,0|4,0,0]=4 72 B5R0.1 CC(=O)NC#N MCULE-8444599659 [0,0,0,0,0,0|3,0,1]=4 73 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,0,0,0,0,0|3,0,1]=4 75 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,0,0,0,0,0|3,0,1]=4 76 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,0,0,0,0,0|3,0,1]=4 77 B5R0.1 CC=CB(O)O MCULE-7417903348 [0,0,0,0,0,0|1,0,1]=2 78 B5R0.1 CC=CC(=O)C MCULE-4826977340 [0,0,0,0,0,0|1,0,0]=1 79 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [0,0,0,0,0,0|1,0,0]=1 80 B5R0.1 CC=CC(=O)N MCULE-9693879476 [0,0,0,0,0,0|1,0,0]=1 81 B5R0.1 CC=CC(=O)O MCULE-7970410217 [0,0,0,0,0,0|0,0,0]=0 82 B5R0.1 CC=CC(C)C MCULE-9898453837 [0,0,0,0,0,0|2,0,1]=3 83 B5R0.1 CC=CC(C)O MCULE-4806592836 [0,0,0,0,0,0|1,0,1]=2 84 B5R0.1 CC=C[N+](=O)[O-] MCULE-2987135481 [0,0,0,0,0,0|1,0,1]=2 85 B5R0.1 CC=NN(C)C MCULE-7039280578 [0,0,0,0,0,0|4,0,0]=4 86 B5R0.1 CCC=C(C)C MCULE-2405063894 [0,0,0,0,0,0|2,0,1]=3 87 B5R0.1 CCC=C(F)F MCULE-5180612061 [0,0,0,0,0,0|2,0,1]=3 88 B5R0.1 CCCB(O)O MCULE-4994980798 [0,0,0,0,0,0|1,0,3]=4 89 B5R0.1 CCCC(=N)N MCULE-5974105638 [0,0,0,0,0,0|2,0,2]=4 90 B5R0.1 CCCC(=N)N MCULE-9230704591 [0,0,0,0,0,0|2,0,2]=4 91 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,0,0,0,0,0|1,0,2]=3 92 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,0,0,0,0,0|1,0,2]=3 93 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,0,0,0,0,0|1,0,2]=3 94 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,0,0,0,0,0|0,0,2]=2 95 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,0,0,0,0,0|0,0,3]=3 96 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,0,0,0,0,0|0,0,3]=3 97 B5R0.1 CCCC(=S)N MCULE-3529335988 [0,0,0,0,0,0|1,1,2]=4 98 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,0,0,0,0,0|0,1,2]=3 99 B5R0.1 CCCC(C)O MCULE-8205906299 [0,0,0,0,0,0|1,0,3]=4 100 B5R0.1 CCCC(O)Cl MCULE-3188577082 [0,0,0,0,0,0|1,0,3]=4 101 B5R0.1 CCCN(=O)=O MCULE-5615753372 [0,0,0,0,0,0|1,0,3]=4 102 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [0,0,0,0,0,0|1,0,3]=4 103 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [0,0,0,0,0,0|1,0,3]=4 104 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [0,0,0,0,0,0|1,0,3]=4 105 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [0,0,0,0,0,0|1,0,3]=4 106 B5R0.1 CCNC(=N)N MCULE-4729418155 [0,0,0,0,0,0|3,0,1]=4 107 B5R0.1 CCNC(=N)N MCULE-5123343071 [0,0,0,0,0,0|3,0,1]=4 108 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,0,0,0,0,0|2,0,1]=3 109 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [0,0,0,0,0,0|2,0,1]=3 110 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,0,0,0,0,0|2,0,1]=3 111 B5R0.1 CCNC(=S)N MCULE-3849517146 [0,0,0,0,0,0|2,1,1]=4 112 B5R0.1 CCOC(=N)C MCULE-3060267072 [0,0,0,0,0,0|3,0,1]=4 113 B5R0.1 CCOC(=N)C MCULE-3943786182 [0,0,0,0,0,0|3,0,1]=4 114 B5R0.1 CCOC(=N)N MCULE-3570858508 [0,0,0,0,0,0|3,0,1]=4 115 B5R0.1 CCOC(=N)N MCULE-6061063856 [0,0,0,0,0,0|3,0,1]=4 116 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,0,0,0,0,0|2,0,1]=3 117 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [0,0,0,0,0,0|2,0,1]=3 118 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,0,0,0,0,0|2,0,1]=3 119 B5R0.1 CCOC(=S)C MCULE-3358897597 [0,0,0,0,0,0|2,1,1]=4 120 B5R0.1 CCOC(=S)N MCULE-4649285010 [0,0,0,0,0,0|2,1,1]=4 121 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [0,0,0,0,0,0|1,2,1]=4 122 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [0,0,0,0,0,0|1,2,1]=4 123 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [0,0,0,0,0,0|1,2,1]=4 124 B5R0.1 CCSC(=N)N MCULE-2161729152 [0,0,0,0,0,0|3,0,1]=4 125 B5R0.1 CCSC(=N)N MCULE-2547252984 [0,0,0,0,0,0|3,0,1]=4 126 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,0,0,0,0,0|2,0,1]=3 127 B5R0.1 CCSC(=S)C MCULE-1502137460 [0,0,0,0,0,0|2,1,1]=4 128 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [0,0,0,0,0,0|1,2,1]=4 129 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [0,0,0,0,0,0|1,2,1]=4 130 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [0,0,0,0,0,0|3,0,1]=4 131 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [0,0,0,0,0,0|3,0,1]=4 132 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [0,0,0,0,0,0|3,0,1]=4 133 B5R0.1 CN=CN(C)C MCULE-2522407175 [0,0,0,0,0,0|4,0,0]=4 134 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,0,0,0,0,0|2,0,1]=3 135 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,0,0,0,0,0|2,0,1]=3 136 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,0,0,0,0,0|2,0,1]=3 137 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,0,0,0,0,0|2,0,1]=3 138 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,0,0,0,0,0|2,0,1]=3 139 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,0,0,0,0,0|1,0,1]=2 140 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,0,0,0,0,0|1,0,1]=2 141 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,0,0,0,0,0|1,0,2]=3 142 B5R0.1 CNCC(C)O MCULE-3671071529 [0,0,0,0,0,0|2,0,2]=4 143 B5R0.1 CNCC(C)O MCULE-4171705304 [0,0,0,0,0,0|2,0,2]=4 144 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [0,0,0,0,0,0|2,0,2]=4 145 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [0,0,0,0,0,0|2,0,2]=4 146 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [0,0,0,0,0,0|2,0,2]=4 147 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [0,0,0,0,0,0|2,0,2]=4 148 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [0,0,0,0,0,0|2,0,2]=4 149 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [0,0,0,0,0,0|2,0,2]=4 150 B5R0.1 CNN=C(C)C MCULE-6307375856 [0,0,0,0,0,0|4,0,0]=4 151 B5R0.1 CNNC(=S)N MCULE-5838387497 [0,0,0,0,0,0|3,1,0]=4 152 B5R0.1 CNOC(=O)C MCULE-1464426541 [0,0,0,0,0,0|3,0,0]=3 153 B5R0.1 CNOC(=O)C MCULE-2976282666 [0,0,0,0,0,0|3,0,0]=3 154 B5R0.1 COC=C(C)C MCULE-6348538911 [0,0,0,0,0,0|3,0,0]=3 155 B5R0.1 COCC(=N)N MCULE-4711728356 [0,0,0,0,0,0|3,0,1]=4 156 B5R0.1 COCC(=N)N MCULE-7163250467 [0,0,0,0,0,0|3,0,1]=4 157 B5R0.1 COCC(=O)C MCULE-7262197587 [0,0,0,0,0,0|2,0,1]=3 158 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,0,0,0,0,0|2,0,1]=3 159 B5R0.1 COCC(=O)N MCULE-6674958132 [0,0,0,0,0,0|2,0,1]=3 160 B5R0.1 COCC(=O)O MCULE-3945589151 [0,0,0,0,0,0|1,0,1]=2 161 B5R0.1 COCC(=S)N MCULE-2046809269 [0,0,0,0,0,0|2,1,1]=4 162 B5R0.1 COCC(C)O MCULE-4022733014 [0,0,0,0,0,0|2,0,2]=4 163 B5R0.1 COCC(C)O MCULE-7513310960 [0,0,0,0,0,0|2,0,2]=4 164 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [0,0,0,0,0,0|2,0,2]=4 165 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [0,0,0,0,0,0|2,0,2]=4 166 B5R0.1 COC[C@H](C)O MCULE-5908531683 [0,0,0,0,0,0|2,0,2]=4 167 B5R0.1 COC[C@H](C)O MCULE-8619138238 [0,0,0,0,0,0|2,0,2]=4 168 B5R0.1 CONC(=O)C MCULE-6601866630 [0,0,0,0,0,0|3,0,0]=3 169 B5R0.1 CONC(=O)N MCULE-3063713861 [0,0,0,0,0,0|3,0,0]=3 170 B5R0.1 CONC(=S)C MCULE-1876042939 [0,0,0,0,0,0|3,1,0]=4 171 B5R0.1 CSC=[N+](C)C MCULE-3818988576 [0,0,0,0,0,0|4,0,0]=4 172 B5R0.1 CSC=[N+](C)C MCULE-8015580251 [0,0,0,0,0,0|4,0,0]=4 173 B5R0.1 CSCC(=N)N MCULE-7800929509 [0,0,0,0,0,0|3,0,1]=4 174 B5R0.1 CSCC(=N)N MCULE-8499985777 [0,0,0,0,0,0|3,0,1]=4 175 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,0,0,0,0,0|2,0,1]=3 176 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [0,0,0,0,0,0|2,0,1]=3 177 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,0,0,0,0,0|2,0,1]=3 178 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,0,0,0,0,0|1,0,1]=2 179 B5R0.1 CSCC(=S)N MCULE-5029100305 [0,0,0,0,0,0|2,1,1]=4 180 B5R0.1 CSCC(C)O MCULE-2227652351 [0,0,0,0,0,0|2,0,2]=4 181 B5R0.1 CSCS(=O)C MCULE-3167702486 [0,0,0,0,0,0|3,0,1]=4 182 B5R0.1 CSNC(=O)C MCULE-7350061514 [0,0,0,0,0,0|3,0,0]=3 183 B5R0.1 ClC(=CCBr)Cl MCULE-5947456231 [0,0,0,0,0,0|3,0,1]=4 184 B5R0.1 ClCC=C(Cl)Cl MCULE-8294724084 [0,0,0,0,0,0|3,0,1]=4 185 B5R0.1 FC(=CCBr)F MCULE-1770710917 [0,0,0,0,0,0|3,0,1]=4 186 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [0,0,0,0,0,0|2,0,2]=4 187 B5R0.1 N#CCC(=O)N MCULE-8538286230 [0,0,0,0,0,0|2,0,2]=4 188 B5R0.1 N#CCC(=O)O MCULE-3440765061 [0,0,0,0,0,0|1,0,2]=3 189 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [0,0,0,0,0,0|1,0,3]=4 190 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [0,0,0,0,0,0|1,0,3]=4 191 B5R0.1 N=C(N)NC=O MCULE-2702198735 [0,0,0,0,0,0|4,0,0]=4 192 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [0,0,0,0,0,0|2,0,0]=2 193 B5R0.1 NC(=O)C=NO MCULE-6447662753 [0,0,0,0,0,0|3,0,0]=3 194 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,0,0,0,0,0|2,0,2]=4 195 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,0,0,0,0,0|2,0,2]=4 196 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,0,0,0,0,0|2,0,2]=4 197 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,0,0,0,0,0|2,0,2]=4 198 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,0,0,0,0,0|3,0,1]=4 199 B5R0.1 NC(=O)NN=O MCULE-2820469915 [0,0,0,0,0,0|4,0,0]=4 200 B5R0.1 NCC=C(Cl)Cl MCULE-6555955942 [0,0,0,0,0,0|3,0,1]=4 201 B5R0.1 NCC=C(Cl)Cl MCULE-9019653665 [0,0,0,0,0,0|3,0,1]=4 202 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,0,0,0,0,0|2,0,2]=4 203 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,0,0,0,0,0|2,0,2]=4 204 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,0,0,0,0,0|2,0,2]=4 205 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,0,0,0,0,0|1,0,2]=3 206 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,0,0,0,0,0|1,0,2]=3 207 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,0,0,0,0,0|1,0,2]=3 208 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,0,0,0,0,0|1,0,3]=4 209 B5R0.1 NCCP(=O)O MCULE-7093964616 [0,0,0,0,0,0|2,0,2]=4 210 B5R0.1 NCCS(=O)O MCULE-4372248641 [0,0,0,0,0,0|2,0,2]=4 211 B5R0.1 NNCC(=O)N MCULE-2794619708 [0,0,0,0,0,0|3,0,1]=4 212 B5R0.1 NNCC(=O)N MCULE-6773156087 [0,0,0,0,0,0|3,0,1]=4 213 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,0,0,0,0,0|2,0,1]=3 214 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,0,0,0,0,0|2,0,1]=3 215 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,0,0,0,0,0|2,0,1]=3 216 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,0,0,0,0,0|2,0,1]=3 217 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,0,0,0,0,0|2,0,1]=3 218 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [0,0,0,0,0,0|2,0,0]=2 219 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,0,0,0,0,0|2,0,2]=4 220 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [0,0,0,0,0,0|2,0,2]=4 221 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [0,0,0,0,0,0|2,0,2]=4 222 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [0,0,0,0,0,0|3,0,1]=4 223 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [0,0,0,0,0,0|1,0,0]=1 224 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [0,0,0,0,0,0|1,0,0]=1 225 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [0,0,0,0,0,0|1,0,0]=1 226 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [0,0,0,0,0,0|1,0,0]=1 227 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [0,0,0,0,0,0|1,0,0]=1 228 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [0,0,0,0,0,0|1,0,0]=1 229 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [0,0,0,0,0,0|2,0,0]=2 230 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [0,0,0,0,0,0|1,0,2]=3 231 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [0,0,0,0,0,0|1,0,0]=1 232 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [0,0,0,0,0,0|1,0,0]=1 233 B5R0.1 O=C(O)C=CI MCULE-7162332129 [0,0,0,0,0,0|1,0,0]=1 234 B5R0.1 O=C(O)C=NO MCULE-2039309679 [0,0,0,0,0,0|2,0,0]=2 235 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,0,0,0,0,0|1,0,2]=3 236 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,0,0,0,0,0|1,0,2]=3 237 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,0,0,0,0,0|1,0,2]=3 238 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,0,0,0,0,0|1,0,2]=3 239 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,0,0,0,0,0|1,0,2]=3 240 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,0,0,0,0,0|1,0,2]=3 241 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,0,0,0,0,0|2,0,1]=3 242 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [0,0,0,0,0,0|1,0,3]=4 243 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [0,0,0,0,0,0|1,0,3]=4 244 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [0,0,0,0,0,0|1,0,1]=2 245 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,0,0,0,0,0|1,0,3]=4 246 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [0,0,0,0,0,0|3,0,1]=4 247 B5R0.1 P(=O)(O)C=C=C MCULE-4922910477 [0,0,0,0,0,0|1,0,2]=3 248 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [0,0,0,0,0,0|1,0,3]=4 249 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [0,0,0,0,0,0|2,0,2]=4 250 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [0,0,0,0,0,0|1,0,3]=4 251 B5R0.1 [NH+](=CN(C)C)C MCULE-8771175095 [0,0,0,0,0,0|4,0,0]=4 252 B4R0.1 BrC=C(Br)Br MCULE-9536958233 [1,0,0,0,0,0|3,0,0]=4 253 B4R0.1 C#CC(=O)C MCULE-1296030711 [1,0,0,0,0,0|1,0,2]=4 254 B4R0.1 C#CC(=O)N MCULE-1832868146 [1,0,0,0,0,0|1,0,2]=4 255 B4R0.1 C#CC(=O)O MCULE-8764256624 [1,0,0,0,0,0|0,0,2]=3 256 B4R0.1 C#CC(=O)[O-] MCULE-3356498679 [1,0,0,0,0,0|0,0,3]=4 257 B4R0.1 C#CC(=O)[O-] MCULE-3490087346 [1,0,0,0,0,0|0,0,3]=4 258 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [1,0,0,0,0,0|2,0,0]=3 259 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [1,0,0,0,0,0|2,0,0]=3 260 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [1,0,0,0,0,0|2,0,0]=3 261 B4R0.1 C=C(Br)C=O MCULE-9500973388 [1,0,0,0,0,0|3,0,0]=4 262 B4R0.1 C=C(Br)CC MCULE-6271946451 [1,0,0,0,0,0|2,0,1]=4 263 B4R0.1 C=C(C)C=O MCULE-3758355501 [1,0,0,0,0,0|3,0,0]=4 264 B4R0.1 C=C(C)OC MCULE-7344104255 [1,0,0,0,0,0|3,0,0]=4 265 B4R0.1 C=C=C(C)C MCULE-8705186354 [1,0,0,0,0,0|2,0,1]=4 266 B4R0.1 C=CB(O)O MCULE-2531600001 [1,0,0,0,0,0|1,0,1]=3 267 B4R0.1 C=CC(=C)C MCULE-1668999564 [1,0,0,0,0,0|2,0,0]=3 268 B4R0.1 C=CC(=O)C MCULE-4924646293 [1,0,0,0,0,0|1,0,0]=2 269 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [1,0,0,0,0,0|1,0,0]=2 270 B4R0.1 C=CC(=O)N MCULE-4309430654 [1,0,0,0,0,0|1,0,0]=2 271 B4R0.1 C=CC(=O)O MCULE-9352227082 [1,0,0,0,0,0|0,0,0]=1 272 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [1,0,0,0,0,0|0,0,1]=2 273 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [1,0,0,0,0,0|0,0,1]=2 274 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [1,0,0,0,0,0|0,0,1]=2 275 B4R0.1 C=CC(C)Cl MCULE-1756172983 [1,0,0,0,0,0|2,0,1]=4 276 B4R0.1 C=CC(C)N MCULE-5748048106 [1,0,0,0,0,0|2,0,1]=4 277 B4R0.1 C=CC(C)N MCULE-6786590923 [1,0,0,0,0,0|2,0,1]=4 278 B4R0.1 C=CC(C)O MCULE-4525368256 [1,0,0,0,0,0|1,0,1]=3 279 B4R0.1 C=CN(=O)=O MCULE-1988475489 [1,0,0,0,0,0|1,0,1]=3 280 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [1,0,0,0,0,0|2,0,1]=4 281 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [1,0,0,0,0,0|2,0,1]=4 282 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [1,0,0,0,0,0|2,0,1]=4 283 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [1,0,0,0,0,0|2,0,1]=4 284 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [1,0,0,0,0,0|2,0,1]=4 285 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [1,0,0,0,0,0|2,0,1]=4 286 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [1,0,0,0,0,0|2,0,1]=4 287 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [1,0,0,0,0,0|2,0,1]=4 288 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [1,0,0,0,0,0|1,0,1]=3 289 B4R0.1 CC(=CBr)C MCULE-9508381610 [1,0,0,0,0,0|3,0,0]=4 290 B4R0.1 CC(=CCl)C MCULE-4321554138 [1,0,0,0,0,0|3,0,0]=4 291 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [1,0,0,0,0,0|3,0,0]=4 292 B4R0.1 CC(=O)C#N MCULE-6317771757 [1,0,0,0,0,0|2,0,1]=4 293 B4R0.1 CC(=O)C=O MCULE-2718961814 [1,0,0,0,0,0|2,0,0]=3 294 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,0,0,0,0,0|2,0,1]=4 295 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,0,0,0,0,0|2,0,1]=4 296 B4R0.1 CC(=O)CF MCULE-7417279999 [1,0,0,0,0,0|2,0,1]=4 297 B4R0.1 CC(=O)CN MCULE-2715277783 [1,0,0,0,0,0|2,0,1]=4 298 B4R0.1 CC(=O)CN MCULE-6004541862 [1,0,0,0,0,0|2,0,1]=4 299 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,0,0,0,0|2,0,1]=4 300 B4R0.1 CC(=O)CS MCULE-9736174016 [1,0,0,0,0,0|2,0,1]=4 301 B4R0.1 CC(=O)NBr MCULE-6502070876 [1,0,0,0,0,0|3,0,0]=4 302 B4R0.1 CC(=O)NN MCULE-9183467120 [1,0,0,0,0,0|3,0,0]=4 303 B4R0.1 CC(=O)NO MCULE-2682231025 [1,0,0,0,0,0|3,0,0]=4 304 B4R0.1 CC(=O)OO MCULE-6028338742 [1,0,0,0,0,0|3,0,0]=4 305 B4R0.1 CC=C(C)Br MCULE-1371905211 [1,0,0,0,0,0|2,0,0]=3 306 B4R0.1 CC=C(C)C MCULE-4230157245 [1,0,0,0,0,0|2,0,0]=3 307 B4R0.1 CC=C(C)Cl MCULE-3844314543 [1,0,0,0,0,0|2,0,0]=3 308 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [1,0,0,0,0,0|2,0,0]=3 309 B4R0.1 CC=C(F)F MCULE-5544510852 [1,0,0,0,0,0|2,0,0]=3 310 B4R0.1 CCB(O)O MCULE-1650960999 [1,0,0,0,0,0|1,0,2]=4 311 B4R0.1 CCC(=N)N MCULE-1856575742 [1,0,0,0,0,0|2,0,1]=4 312 B4R0.1 CCC(=N)N MCULE-2534386807 [1,0,0,0,0,0|2,0,1]=4 313 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,0,0,0,0,0|1,0,1]=3 314 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,0,0,0,0|1,0,1]=3 315 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,0,0,0,0,0|1,0,1]=3 316 B4R0.1 CCC(=O)F MCULE-8783887670 [1,0,0,0,0,0|1,0,1]=3 317 B4R0.1 CCC(=O)N MCULE-3730796130 [1,0,0,0,0,0|1,0,1]=3 318 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,0,0,0,0|0,0,1]=2 319 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,0,0,0,0|0,0,1]=2 320 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,0,0,0,0|0,1,1]=3 321 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,0,0,0,0,0|0,0,2]=3 322 B4R0.1 CCC(=S)N MCULE-3921479699 [1,0,0,0,0,0|1,1,1]=4 323 B4R0.1 CCC(C)O MCULE-4099350806 [1,0,0,0,0,0|1,0,2]=4 324 B4R0.1 CCC(C)O MCULE-5005120003 [1,0,0,0,0,0|1,0,2]=4 325 B4R0.1 CCN(=O)=O MCULE-6603591614 [1,0,0,0,0,0|1,0,2]=4 326 B4R0.1 CCS(=O)C MCULE-4400935745 [1,0,0,0,0,0|2,0,1]=4 327 B4R0.1 CCS(=O)O MCULE-9872932319 [1,0,0,0,0,0|1,0,1]=3 328 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [1,0,0,0,0,0|1,0,2]=4 329 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [1,0,0,0,0,0|1,0,2]=4 330 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [1,0,0,0,0,0|1,0,2]=4 331 B4R0.1 CC[C@H](C)O MCULE-3700911573 [1,0,0,0,0,0|1,0,2]=4 332 B4R0.1 CC[C@H](C)O MCULE-6063716138 [1,0,0,0,0,0|1,0,2]=4 333 B4R0.1 CNC(=N)N MCULE-1074994749 [1,0,0,0,0,0|3,0,0]=4 334 B4R0.1 CNC(=N)N MCULE-6149731862 [1,0,0,0,0,0|3,0,0]=4 335 B4R0.1 CNC(=N)N MCULE-7667364021 [1,0,0,0,0,0|3,0,0]=4 336 B4R0.1 CNC(=N)N MCULE-7854448694 [1,0,0,0,0,0|3,0,0]=4 337 B4R0.1 CNC(=O)C MCULE-2612997941 [1,0,0,0,0,0|2,0,0]=3 338 B4R0.1 CNC(=O)Cl MCULE-7743744606 [1,0,0,0,0,0|2,0,0]=3 339 B4R0.1 CNC(=O)N MCULE-6422331704 [1,0,0,0,0,0|2,0,0]=3 340 B4R0.1 CNC(=S)C MCULE-8699171591 [1,0,0,0,0,0|2,1,0]=4 341 B4R0.1 CNC(=S)N MCULE-7103250725 [1,0,0,0,0,0|2,1,0]=4 342 B4R0.1 CNC(=S)[S-] MCULE-4072880135 [1,0,0,0,0,0|1,2,0]=4 343 B4R0.1 CNC(=S)[S-] MCULE-4924829934 [1,0,0,0,0,0|1,2,0]=4 344 B4R0.1 COC(=N)C MCULE-2752794913 [1,0,0,0,0,0|3,0,0]=4 345 B4R0.1 COC(=N)C MCULE-2904991083 [1,0,0,0,0,0|3,0,0]=4 346 B4R0.1 COC(=N)N MCULE-1611076737 [1,0,0,0,0,0|3,0,0]=4 347 B4R0.1 COC(=N)N MCULE-4923904579 [1,0,0,0,0,0|3,0,0]=4 348 B4R0.1 COC(=N)N MCULE-6696789855 [1,0,0,0,0,0|3,0,0]=4 349 B4R0.1 COC(=N)N MCULE-9171600210 [1,0,0,0,0,0|3,0,0]=4 350 B4R0.1 COC(=O)C MCULE-7368066093 [1,0,0,0,0,0|2,0,0]=3 351 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,0,0,0,0,0|2,0,0]=3 352 B4R0.1 COC(=O)N MCULE-4070607369 [1,0,0,0,0,0|2,0,0]=3 353 B4R0.1 COC(=S)N MCULE-9414558443 [1,0,0,0,0,0|2,1,0]=4 354 B4R0.1 COC(=S)[S-] MCULE-4829872223 [1,0,0,0,0,0|1,2,0]=4 355 B4R0.1 COC(=S)[S-] MCULE-6509496630 [1,0,0,0,0,0|1,2,0]=4 356 B4R0.1 CSC(=N)N MCULE-1471368384 [1,0,0,0,0,0|3,0,0]=4 357 B4R0.1 CSC(=N)N MCULE-3394284504 [1,0,0,0,0,0|3,0,0]=4 358 B4R0.1 CSC(=N)N MCULE-3752198299 [1,0,0,0,0,0|3,0,0]=4 359 B4R0.1 CSC(=N)N MCULE-5672446896 [1,0,0,0,0,0|3,0,0]=4 360 B4R0.1 CSC(=N)N MCULE-8409992127 [1,0,0,0,0,0|3,0,0]=4 361 B4R0.1 CSC(=O)C MCULE-7061634598 [1,0,0,0,0,0|2,0,0]=3 362 B4R0.1 CSC(=S)C MCULE-4836153374 [1,0,0,0,0,0|2,1,0]=4 363 B4R0.1 CSS(=O)C MCULE-6515592458 [1,0,0,0,0,0|3,0,0]=4 364 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [1,0,0,0,0,0|2,0,1]=4 365 B4R0.1 ClC=C(Cl)Cl MCULE-3945953656 [1,0,0,0,0,0|3,0,0]=4 366 B4R0.1 FC(=CBr)F MCULE-5114290777 [1,0,0,0,0,0|3,0,0]=4 367 B4R0.1 FC=C(Br)Br MCULE-3150710627 [1,0,0,0,0,0|3,0,0]=4 368 B4R0.1 FC=C(F)F MCULE-2449532887 [1,0,0,0,0,0|3,0,0]=4 369 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,0,0,0,0,0|2,0,1]=4 370 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,0,0,0,0,0|2,0,1]=4 371 B4R0.1 NC(=O)CF MCULE-3344212657 [1,0,0,0,0,0|2,0,1]=4 372 B4R0.1 NC(=O)CI MCULE-4217973413 [1,0,0,0,0,0|2,0,1]=4 373 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,0,0,0,0|2,0,1]=4 374 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,0,0,0,0|2,0,1]=4 375 B4R0.1 NC(=O)NO MCULE-9465284053 [1,0,0,0,0,0|3,0,0]=4 376 B4R0.1 NCC(=O)N MCULE-1048848056 [1,0,0,0,0,0|2,0,1]=4 377 B4R0.1 NCC(=O)N MCULE-2174395809 [1,0,0,0,0,0|2,0,1]=4 378 B4R0.1 NCC(=O)N MCULE-6113166250 [1,0,0,0,0,0|2,0,1]=4 379 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,0,0,0,0|1,0,1]=3 380 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,0,0,0,0|1,0,1]=3 381 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,0,0,0,0|1,0,1]=3 382 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,0,0,0,0|1,0,1]=3 383 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,0,0,0,0|1,0,1]=3 384 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,0,0,0,0|1,1,1]=4 385 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [1,0,0,0,0,0|1,0,2]=4 386 B4R0.1 NNC(=O)N MCULE-3392559370 [1,0,0,0,0,0|3,0,0]=4 387 B4R0.1 NNC(=O)N MCULE-8490374775 [1,0,0,0,0,0|3,0,0]=4 388 B4R0.1 O=C(Br)CBr MCULE-6031858200 [1,0,0,0,0,0|2,0,1]=4 389 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [1,0,0,0,0,0|2,0,1]=4 390 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [1,0,0,0,0,0|2,0,1]=4 391 B4R0.1 O=C(Cl)CF MCULE-7182087882 [1,0,0,0,0,0|2,0,1]=4 392 B4R0.1 O=C(Cl)CI MCULE-5719121455 [1,0,0,0,0,0|2,0,1]=4 393 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [1,0,0,0,0,0|3,0,0]=4 394 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,0,0,0,0|1,0,1]=3 395 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,0,0,0,0|1,0,1]=3 396 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,0,0,0,0|1,0,1]=3 397 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,0,0,0,0|1,0,1]=3 398 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,0,0,0,0|1,0,1]=3 399 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,0,0,0,0|1,0,1]=3 400 B4R0.1 O=C([O-])CF MCULE-8428965857 [1,0,0,0,0,0|1,0,2]=4 401 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,0,0,0,0|1,0,2]=4 402 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,0,0,0,0,0|1,0,2]=4 403 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,0,0,0,0,0|1,0,2]=4 404 B4R0.1 O=CC(=O)O MCULE-5307898766 [1,0,0,0,0,0|1,0,0]=2 405 B4R0.1 O=S(O)CO MCULE-4195832185 [1,0,0,0,0,0|2,0,1]=4 406 B4R0.1 P(=O)(O)CN MCULE-5441171864 [1,0,0,0,0,0|2,0,1]=4 407 B4R0.2 BrC=CCBr MCULE-1480697982 [1,0,0,0,0,0|2,0,1]=4 408 B4R0.2 C#CC=CC MCULE-9741359131 [1,0,0,0,0,0|1,0,1]=3 409 B4R0.2 C/C=C/C#N MCULE-2754343103 [1,0,0,0,0,0|1,0,1]=3 410 B4R0.2 C/C=C/C=O MCULE-9924705308 [1,0,0,0,0,0|0,0,0]=1 411 B4R0.2 C/C=C/CCl MCULE-9977493525 [1,0,0,0,0,0|1,0,1]=3 412 B4R0.2 C/C=C/CO MCULE-2383161163 [1,0,0,0,0,0|0,0,1]=2 413 B4R0.2 C/C=C/OC MCULE-3906920304 [1,0,0,0,0,0|2,0,0]=3 414 B4R0.2 C/C=C\CO MCULE-5924662327 [1,0,0,0,0,0|0,0,1]=2 415 B4R0.2 C=C=CCC MCULE-6123315571 [1,0,0,0,0,0|1,0,2]=4 416 B4R0.2 C=C=CCO MCULE-5424851896 [1,0,0,0,0,0|0,0,3]=4 417 B4R0.2 C=CC=CC MCULE-4452516287 [1,0,0,0,0,0|1,0,0]=2 418 B4R0.2 C=CCCC MCULE-8386546337 [1,0,0,0,0,0|1,0,2]=4 419 B4R0.2 C=CCCO MCULE-4582400839 [1,0,0,0,0,0|0,0,3]=4 420 B4R0.2 C=CCNC MCULE-3335720336 [1,0,0,0,0,0|2,0,1]=4 421 B4R0.2 C=CCOC MCULE-3321225771 [1,0,0,0,0,0|2,0,1]=4 422 B4R0.2 C=CCSC MCULE-4452023915 [1,0,0,0,0,0|2,0,1]=4 423 B4R0.2 C=CNC=O MCULE-8403928899 [1,0,0,0,0,0|1,0,1]=3 424 B4R0.2 C=COCC MCULE-2569047033 [1,0,0,0,0,0|2,0,1]=4 425 B4R0.2 C=CSCC MCULE-8927374165 [1,0,0,0,0,0|2,0,1]=4 426 B4R0.2 C=C[Te]C=C MCULE-9095868234 [1,0,0,0,0,0|2,0,1]=4 427 B4R0.2 CC#CC=O MCULE-9270622693 [1,0,0,0,0,0|0,0,2]=3 428 B4R0.2 CC#CCO MCULE-5096552076 [1,0,0,0,0,0|0,0,3]=4 429 B4R0.2 CC=CC#N MCULE-5062019142 [1,0,0,0,0,0|1,0,1]=3 430 B4R0.2 CC=CC=O MCULE-2497362981 [1,0,0,0,0,0|0,0,0]=1 431 B4R0.2 CC=CCBr MCULE-7855581866 [1,0,0,0,0,0|1,0,1]=3 432 B4R0.2 CC=CCC MCULE-5931905453 [1,0,0,0,0,0|1,0,1]=3 433 B4R0.2 CC=CCCl MCULE-3941962217 [1,0,0,0,0,0|1,0,1]=3 434 B4R0.2 CC=CCO MCULE-7490725844 [1,0,0,0,0,0|0,0,1]=2 435 B4R0.2 CC=COC MCULE-6712403535 [1,0,0,0,0,0|2,0,0]=3 436 B4R0.2 CC=CSC MCULE-5921906156 [1,0,0,0,0,0|2,0,0]=3 437 B4R0.2 CCC=CBr MCULE-4471551501 [1,0,0,0,0,0|1,0,1]=3 438 B4R0.2 CCC=NO MCULE-9457280654 [1,0,0,0,0,0|1,0,1]=3 439 B4R0.2 CCCC=O MCULE-8530391347 [1,0,0,0,0,0|0,0,2]=3 440 B4R0.2 CCCCO MCULE-1571156443 [1,0,0,0,0,0|0,0,3]=4 441 B4R0.2 CCN=C=O MCULE-6522145601 [1,0,0,0,0,0|1,0,2]=4 442 B4R0.2 CCNC=O MCULE-9309926274 [1,0,0,0,0,0|1,0,1]=3 443 B4R0.2 CCOC=N MCULE-5321655909 [1,0,0,0,0,0|2,0,1]=4 444 B4R0.2 CCOC=N MCULE-8158357614 [1,0,0,0,0,0|2,0,1]=4 445 B4R0.2 CCOC=O MCULE-6245072161 [1,0,0,0,0,0|1,0,1]=3 446 B4R0.2 CNCCO MCULE-7051900771 [1,0,0,0,0,0|1,0,2]=4 447 B4R0.2 CNCCO MCULE-7934732981 [1,0,0,0,0,0|1,0,2]=4 448 B4R0.2 COCC=O MCULE-9427361019 [1,0,0,0,0,0|1,0,1]=3 449 B4R0.2 COCCO MCULE-4751927883 [1,0,0,0,0,0|1,0,2]=4 450 B4R0.2 CSCCO MCULE-9706874325 [1,0,0,0,0,0|1,0,2]=4 451 B4R0.2 Cl/C=C/CCl MCULE-4516188972 [1,0,0,0,0,0|2,0,1]=4 452 B4R0.2 ClC/C=C/Br MCULE-1061414929 [1,0,0,0,0,0|2,0,1]=4 453 B4R0.2 ClC=CCCl MCULE-4655672652 [1,0,0,0,0,0|2,0,1]=4 454 B4R0.2 N/C=C/C=O MCULE-2444951625 [1,0,0,0,0,0|1,0,0]=2 455 B4R0.2 NC=CC=O MCULE-4070918342 [1,0,0,0,0,0|1,0,0]=2 456 B4R0.2 O=CCCBr MCULE-4107157458 [1,0,0,0,0,0|1,0,2]=4 457 B4R0.2 O=CCCCl MCULE-5863929313 [1,0,0,0,0,0|1,0,2]=4 458 B4R0.2 O=CCCI MCULE-9771140462 [1,0,0,0,0,0|1,0,2]=4 459 B4R0.2 O=CCCO MCULE-1685289763 [1,0,0,0,0,0|1,0,2]=4 460 B4R0.2 O=CNC=O MCULE-3098379420 [1,0,0,0,0,0|2,0,0]=3 461 B4R0.2 O=COC=O MCULE-6311384332 [1,0,0,0,0,0|2,0,0]=3 462 B4R0.2 O=C[N-]C=O MCULE-4923470284 [1,0,0,0,0,0|2,0,0]=3 463 B4R0.2 OC=CCCl MCULE-4750991393 [1,0,0,0,0,0|1,0,1]=3 464 B4R0.2 OCC=CBr MCULE-4636104289 [1,0,0,0,0,0|1,0,1]=3 465 B4R0.2 OCC=CCl MCULE-2110127594 [1,0,0,0,0,0|1,0,1]=3 466 B4R0.2 ON=CCCl MCULE-5736695742 [1,0,0,0,0,0|2,0,1]=4 467 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [0,1,0,0,0,0|1,0,2]=4 468 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [0,1,0,0,0,0|2,0,1]=4 469 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [0,1,0,0,0,0|2,0,1]=4 470 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [0,1,0,0,0,0|0,0,3]=4 471 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [0,1,0,0,0,0|1,0,0]=2 472 B6R0.1 C/C(=N\O)/C=N/O MCULE-3049929204 [0,1,0,0,0,0|3,0,0]=4 473 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [0,1,0,0,0,0|0,0,0]=1 474 B6R0.1 C=C=CC(=O)OC MCULE-7885631451 [0,1,0,0,0,0|0,0,2]=3 475 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [0,1,0,0,0,0|1,0,2]=4 476 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,1,0,0,0,0|2,0,1]=4 477 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,1,0,0,0,0|2,0,1]=4 478 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,1,0,0,0,0|2,0,1]=4 479 B6R0.1 C=CC/C(=N/O)/N MCULE-6681864760 [0,1,0,0,0,0|1,0,2]=4 480 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [0,1,0,0,0,0|1,0,2]=4 481 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [0,1,0,0,0,0|1,0,2]=4 482 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [0,1,0,0,0,0|1,0,2]=4 483 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [0,1,0,0,0,0|0,0,2]=3 484 B6R0.1 C=COC(=O)CC MCULE-7662621547 [0,1,0,0,0,0|2,0,1]=4 485 B6R0.1 C=COC(=O)CCl MCULE-7675766105 [0,1,0,0,0,0|2,0,1]=4 486 B6R0.1 CC#CC(=O)NN MCULE-2475728417 [0,1,0,0,0,0|1,0,2]=4 487 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [0,1,0,0,0,0|0,0,2]=3 488 B6R0.1 CC(=CN=O)NO MCULE-1780424821 [0,1,0,0,0,0|3,0,0]=4 489 B6R0.1 CC(=NO)C=NO MCULE-9711224051 [0,1,0,0,0,0|3,0,0]=4 490 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [0,1,0,0,0,0|1,0,1]=3 491 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [0,1,0,0,0,0|1,0,0]=2 492 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [0,1,0,0,0,0|0,0,0]=1 493 B6R0.1 CC=C[C@@H](N)CO MCULE-4690559736 [0,1,0,0,0,0|1,0,1]=3 494 B6R0.1 CC=C[C@@H](N)CO MCULE-5852475953 [0,1,0,0,0,0|1,0,1]=3 495 B6R0.1 CC=C[C@H](N)CO MCULE-6168992245 [0,1,0,0,0,0|1,0,1]=3 496 B6R0.1 CC=C[C@H](N)CO MCULE-6971252398 [0,1,0,0,0,0|1,0,1]=3 497 B6R0.1 CCC(=O)CNC MCULE-3030105640 [0,1,0,0,0,0|2,0,1]=4 498 B6R0.1 CCC(=O)CNC MCULE-6945295017 [0,1,0,0,0,0|2,0,1]=4 499 B6R0.1 CCC(=O)COC MCULE-1087802011 [0,1,0,0,0,0|2,0,1]=4 500 B6R0.1 CCC(=O)CSC MCULE-3230433182 [0,1,0,0,0,0|2,0,1]=4 501 B6R0.1 CCC(=O)NOC MCULE-4440074406 [0,1,0,0,0,0|3,0,0]=4 502 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,1,0,0,0,0|1,0,2]=4 503 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,1,0,0,0,0|1,0,2]=4 504 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [0,1,0,0,0,0|1,0,1]=3 505 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,1,0,0,0,0|1,0,2]=4 506 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,1,0,0,0,0|1,0,2]=4 507 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,1,0,0,0,0|1,0,2]=4 508 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,1,0,0,0,0|1,0,2]=4 509 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,1,0,0,0,0|1,0,2]=4 510 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,1,0,0,0,0|1,0,2]=4 511 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,1,0,0,0,0|0,0,2]=3 512 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,1,0,0,0,0|1,0,2]=4 513 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,1,0,0,0,0|1,0,2]=4 514 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,1,0,0,0,0|0,0,2]=3 515 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,1,0,0,0,0|0,0,2]=3 516 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,1,0,0,0,0|0,1,2]=4 517 B6R0.1 CCCC(=S)OC MCULE-8125476093 [0,1,0,0,0,0|0,1,2]=4 518 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,1,0,0,0,0|2,0,1]=4 519 B6R0.1 CCNC(=O)CC MCULE-8820594723 [0,1,0,0,0,0|2,0,1]=4 520 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [0,1,0,0,0,0|2,0,1]=4 521 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,1,0,0,0,0|2,0,1]=4 522 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,1,0,0,0,0|2,0,1]=4 523 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,1,0,0,0,0|1,0,1]=3 524 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,1,0,0,0,0|2,0,1]=4 525 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,1,0,0,0,0|2,0,1]=4 526 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,1,0,0,0,0|1,0,1]=3 527 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,1,0,0,0,0|1,0,1]=3 528 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,1,0,0,0,0|2,0,1]=4 529 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,1,0,0,0,0|2,0,1]=4 530 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,1,0,0,0,0|2,0,1]=4 531 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [0,1,0,0,0,0|2,0,1]=4 532 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,1,0,0,0,0|1,0,2]=4 533 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,1,0,0,0,0|2,0,1]=4 534 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,1,0,0,0,0|2,0,1]=4 535 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [0,1,0,0,0,0|2,0,1]=4 536 B6R0.1 CCOC(=O)CF MCULE-1926097423 [0,1,0,0,0,0|2,0,1]=4 537 B6R0.1 CCOC(=O)CI MCULE-9898762324 [0,1,0,0,0,0|2,0,1]=4 538 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,1,0,0,0,0|2,0,1]=4 539 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,1,0,0,0,0|2,0,1]=4 540 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,1,0,0,0,0|1,0,1]=3 541 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,1,0,0,0,0|1,1,1]=4 542 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,1,0,0,0,0|2,0,1]=4 543 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,1,0,0,0,0|2,0,1]=4 544 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,1,0,0,0,0|1,0,1]=3 545 B6R0.1 CCOC(=O)OC MCULE-1185162684 [0,1,0,0,0,0|1,0,1]=3 546 B6R0.1 CCSC(=O)CC MCULE-6361738004 [0,1,0,0,0,0|2,0,1]=4 547 B6R0.1 CNCC(=O)NC MCULE-4579550577 [0,1,0,0,0,0|2,0,1]=4 548 B6R0.1 CNCC(=O)NC MCULE-7833395637 [0,1,0,0,0,0|2,0,1]=4 549 B6R0.1 CNCC(=O)NN MCULE-8639164023 [0,1,0,0,0,0|2,0,1]=4 550 B6R0.1 CNCC(=O)OC MCULE-1667683926 [0,1,0,0,0,0|1,0,1]=3 551 B6R0.1 CNCC(=O)OC MCULE-5530863658 [0,1,0,0,0,0|1,0,1]=3 552 B6R0.1 CNNC(=O)OC MCULE-4763095719 [0,1,0,0,0,0|2,0,0]=3 553 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [0,1,0,0,0,0|1,0,0]=2 554 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [0,1,0,0,0,0|1,0,0]=2 555 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [0,1,0,0,0,0|1,0,0]=2 556 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [0,1,0,0,0,0|1,0,0]=2 557 B6R0.1 COC(=O)C#CBr MCULE-2452280844 [0,1,0,0,0,0|1,0,2]=4 558 B6R0.1 COC(=O)C#CI MCULE-2688506741 [0,1,0,0,0,0|1,0,2]=4 559 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [0,1,0,0,0,0|1,0,0]=2 560 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [0,1,0,0,0,0|1,0,0]=2 561 B6R0.1 COC(=O)C=CI MCULE-1616048599 [0,1,0,0,0,0|1,0,0]=2 562 B6R0.1 COC(=O)C=CN MCULE-4685220707 [0,1,0,0,0,0|1,0,0]=2 563 B6R0.1 COC(=O)CC#N MCULE-2699345092 [0,1,0,0,0,0|1,0,2]=4 564 B6R0.1 COC(=O)CC=O MCULE-6624474559 [0,1,0,0,0,0|1,0,1]=3 565 B6R0.1 COC(=O)CCBr MCULE-3565567444 [0,1,0,0,0,0|1,0,2]=4 566 B6R0.1 COC(=O)CCCl MCULE-5034007224 [0,1,0,0,0,0|1,0,2]=4 567 B6R0.1 COC(=O)CCI MCULE-5984806612 [0,1,0,0,0,0|1,0,2]=4 568 B6R0.1 COC(=O)CCN MCULE-2306060188 [0,1,0,0,0,0|1,0,2]=4 569 B6R0.1 COC(=O)CCN MCULE-8245275833 [0,1,0,0,0,0|1,0,2]=4 570 B6R0.1 COC(=O)CCO MCULE-8538834260 [0,1,0,0,0,0|1,0,2]=4 571 B6R0.1 COC(=O)CCS MCULE-1695345183 [0,1,0,0,0,0|1,0,2]=4 572 B6R0.1 COC(=O)CNN MCULE-3287579794 [0,1,0,0,0,0|2,0,1]=4 573 B6R0.1 COC(=O)CNN MCULE-3838874166 [0,1,0,0,0,0|2,0,1]=4 574 B6R0.1 COC(=O)CON MCULE-4799038238 [0,1,0,0,0,0|2,0,1]=4 575 B6R0.1 COC(=O)CSC MCULE-6735536033 [0,1,0,0,0,0|1,0,1]=3 576 B6R0.1 COC(=O)N=C=S MCULE-2981767233 [0,1,0,0,0,0|2,0,1]=4 577 B6R0.1 COC(=O)NC=O MCULE-9852632340 [0,1,0,0,0,0|2,0,0]=3 578 B6R0.1 COC(=O)OCCl MCULE-7856529986 [0,1,0,0,0,0|2,0,1]=4 579 B6R0.1 COC(=O)OCF MCULE-4705008675 [0,1,0,0,0,0|2,0,1]=4 580 B6R0.1 COC(=O)OCI MCULE-8692720175 [0,1,0,0,0,0|2,0,1]=4 581 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [0,1,0,0,0,0|2,0,1]=4 582 B6R0.1 COCC(=N)OC MCULE-2350779439 [0,1,0,0,0,0|2,0,1]=4 583 B6R0.1 COCC(=N)OC MCULE-7810421458 [0,1,0,0,0,0|2,0,1]=4 584 B6R0.1 COCC(=O)CCl MCULE-7542636020 [0,1,0,0,0,0|2,0,1]=4 585 B6R0.1 COCC(=O)NN MCULE-4127487886 [0,1,0,0,0,0|2,0,1]=4 586 B6R0.1 COCC(=O)OC MCULE-8337685268 [0,1,0,0,0,0|1,0,1]=3 587 B6R0.1 CONC(=O)OC MCULE-9304532248 [0,1,0,0,0,0|2,0,0]=3 588 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [0,1,0,0,0,0|2,0,1]=4 589 B6R0.1 CSCC(=O)NN MCULE-8151954663 [0,1,0,0,0,0|2,0,1]=4 590 B6R0.1 O=C(C=CCl)CCl MCULE-6121304267 [0,1,0,0,0,0|2,0,0]=3 591 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [0,1,0,0,0,0|1,0,2]=4 592 B6R0.1 ON=CC(=NO)Cl MCULE-8939091308 [0,1,0,0,0,0|3,0,0]=4 593 B6R0.2 C/C(=C\C(=S)N)/N MCULE-9311101194 [0,1,0,0,0,0|1,1,0]=3 594 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [0,1,0,0,0,0|2,0,0]=3 595 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,1,0,0,0,0|1,0,1]=3 596 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,1,0,0,0,0|0,0,1]=2 597 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,1,0,0,0,0|1,0,2]=4 598 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,1,0,0,0,0|1,0,2]=4 599 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,1,0,0,0,0|2,0,0]=3 600 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,1,0,0,0,0|0,0,2]=3 601 B6R0.2 CC(=CB(O)O)C MCULE-5305023524 [0,1,0,0,0,0|1,0,1]=3 602 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,1,0,0,0,0|1,0,0]=2 603 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,1,0,0,0,0|1,0,0]=2 604 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,1,0,0,0,0|0,0,0]=1 605 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,1,0,0,0,0|0,0,0]=1 606 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,1,0,0,0,0|0,0,0]=1 607 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,1,0,0,0,0|0,0,0]=1 608 B6R0.2 CC(=CC(=S)N)N MCULE-2731073832 [0,1,0,0,0,0|1,1,0]=3 609 B6R0.2 CC(=CC(C)C)C MCULE-5460531772 [0,1,0,0,0,0|2,0,1]=4 610 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [0,1,0,0,0,0|1,0,1]=3 611 B6R0.2 CC(=CN(=O)=O)C MCULE-7745125648 [0,1,0,0,0,0|1,0,1]=3 612 B6R0.2 CC(=C[N+](=O)[O-])[O-] MCULE-1079281493 [0,1,0,0,0,0|1,0,1]=3 613 B6R0.2 CC(=C[N+](=O)[O-])[O-] MCULE-4355961794 [0,1,0,0,0,0|1,0,1]=3 614 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,1,0,0,0,0|1,0,1]=3 615 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,1,0,0,0,0|1,0,0]=2 616 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,1,0,0,0,0|1,0,0]=2 617 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,1,0,0,0,0|1,0,0]=2 618 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,1,0,0,0,0|1,0,0]=2 619 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,1,0,0,0,0|1,0,0]=2 620 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,1,0,0,0,0|1,0,0]=2 621 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,1,0,0,0,0|1,0,0]=2 622 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,1,0,0,0,0|1,0,0]=2 623 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,1,0,0,0,0|1,0,1]=3 624 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,1,0,0,0,0|1,0,1]=3 625 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,1,0,0,0,0|0,0,1]=2 626 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,1,0,0,0,0|0,0,2]=3 627 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,1,0,0,0,0|0,0,2]=3 628 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,1,0,0,0,0|1,0,2]=4 629 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,1,0,0,0,0|1,0,2]=4 630 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,1,0,0,0,0|1,0,2]=4 631 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,1,0,0,0,0|1,0,2]=4 632 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,1,0,0,0,0|1,0,2]=4 633 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,1,0,0,0,0|2,0,1]=4 634 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,1,0,0,0,0|1,0,2]=4 635 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,1,0,0,0,0|1,0,2]=4 636 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,1,0,0,0,0|3,0,0]=4 637 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,1,0,0,0,0|2,0,0]=3 638 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,1,0,0,0,0|2,0,0]=3 639 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,1,0,0,0,0|2,1,0]=4 640 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,1,0,0,0,0|2,0,1]=4 641 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,1,0,0,0,0|3,0,0]=4 642 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,1,0,0,0,0|3,0,0]=4 643 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,1,0,0,0,0|2,0,0]=3 644 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,1,0,0,0,0|2,0,1]=4 645 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,1,0,0,0,0|2,0,1]=4 646 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,1,0,0,0,0|2,0,1]=4 647 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,1,0,0,0,0|2,0,0]=3 648 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,1,0,0,0,0|1,0,1]=3 649 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,1,0,0,0,0|1,0,1]=3 650 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,1,0,0,0,0|0,0,2]=3 651 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,1,0,0,0,0|1,0,2]=4 652 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,1,0,0,0,0|1,0,2]=4 653 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,1,0,0,0,0|0,0,2]=3 654 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,1,0,0,0,0|2,0,1]=4 655 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [0,1,0,0,0,0|2,0,1]=4 656 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,1,0,0,0,0|2,0,1]=4 657 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [0,1,0,0,0,0|2,0,1]=4 658 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,1,0,0,0,0|1,0,2]=4 659 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,1,0,0,0,0|0,0,2]=3 660 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [0,1,0,0,0,0|2,0,1]=4 661 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,1,0,0,0,0|0,0,2]=3 662 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,1,0,0,0,0|1,0,2]=4 663 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,1,0,0,0,0|1,0,2]=4 664 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,1,0,0,0,0|0,0,2]=3 665 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,1,0,0,0,0|0,0,2]=3 666 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,1,0,0,0,0|0,0,2]=3 667 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,1,0,0,0,0|0,0,2]=3 668 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,1,0,0,0,0|1,0,2]=4 669 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,1,0,0,0,0|0,0,2]=3 670 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,1,0,0,0,0|0,0,2]=3 671 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,1,0,0,0,0|0,0,3]=4 672 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,1,0,0,0,0|0,0,3]=4 673 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,1,0,0,0,0|2,0,1]=4 674 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,1,0,0,0,0|2,0,1]=4 675 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,1,0,0,0,0|2,0,1]=4 676 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,1,0,0,0,0|1,0,1]=3 677 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,1,0,0,0,0|1,0,1]=3 678 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,1,0,0,0,0|1,0,2]=4 679 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,1,0,0,0,0|3,0,0]=4 680 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,1,0,0,0,0|0,0,2]=3 681 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,1,0,0,0,0|0,0,2]=3 682 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,1,0,0,0,0|0,0,2]=3 683 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,1,0,0,0,0|0,0,2]=3 684 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,1,0,0,0,0|0,0,2]=3 685 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,1,0,0,0,0|0,0,2]=3 686 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,1,0,0,0,0|0,0,3]=4 687 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,1,0,0,0,0|0,0,3]=4 688 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,1,0,0,0,0|0,0,2]=3 689 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,1,0,0,0,0|0,0,2]=3 690 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,1,0,0,0,0|0,0,2]=3 691 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,1,0,0,0,0|0,0,2]=3 692 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,1,0,0,0,0|0,0,2]=3 693 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,1,0,0,0,0|0,0,2]=3 694 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,1,0,0,0,0|0,0,2]=3 695 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,1,0,0,0,0|0,0,2]=3 696 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,1,0,0,0,0|0,0,3]=4 697 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,1,0,0,0,0|0,0,3]=4 698 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,1,0,0,0,0|1,0,2]=4 699 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,1,0,0,0,0|1,0,2]=4 700 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,1,0,0,0,0|2,0,1]=4 701 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,1,0,0,0,0|3,0,0]=4 702 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,1,0,0,0,0|3,0,0]=4 703 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,1,0,0,0,0|3,0,0]=4 704 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,1,0,0,0,0|3,0,0]=4 705 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,1,0,0,0,0|2,0,1]=4 706 B6R0.2 NC(=CN(=O)=O)N MCULE-9629386307 [0,1,0,0,0,0|2,0,1]=4 707 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,1,0,0,0,0|2,0,1]=4 708 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,1,0,0,0,0|1,0,1]=3 709 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,1,0,0,0,0|2,0,1]=4 710 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,1,0,0,0,0|3,0,0]=4 711 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,1,0,0,0,0|1,0,2]=4 712 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,1,0,0,0,0|1,0,2]=4 713 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,1,0,0,0,0|2,0,1]=4 714 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,1,0,0,0,0|1,0,0]=2 715 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,1,0,0,0,0|1,0,0]=2 716 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,1,0,0,0,0|2,0,1]=4 717 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,1,0,0,0,0|1,0,1]=3 718 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,1,0,0,0,0|1,0,2]=4 719 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,1,0,0,0,0|2,0,1]=4 720 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,1,0,0,0,0|1,0,2]=4 721 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,1,0,0,0,0|1,0,2]=4 722 B6R0.2 O=N(=O)C=C(Cl)Cl MCULE-9907270101 [0,1,0,0,0,0|2,0,1]=4 723 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,1,0,0,0,0|0,0,3]=4 724 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,1,0,0,0,0|1,0,1]=3 725 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,1,0,0,0,0|0,0,0]=1 726 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,1,0,0,0,0|0,0,0]=1 727 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,1,0,0,0,0|0,0,0]=1 728 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,1,0,0,0,0|0,0,0]=1 729 B6R0.3 C=C(Br)C(=O)OC MCULE-6192595524 [0,1,0,0,0,0|3,0,0]=4 730 B6R0.3 C=C(C#N)C(=O)O MCULE-1746285232 [0,1,0,0,0,0|1,0,1]=3 731 B6R0.3 C=C(C)C(=O)NC MCULE-9515227181 [0,1,0,0,0,0|3,0,0]=4 732 B6R0.3 C=C(C)C(=O)OC MCULE-9286083206 [0,1,0,0,0,0|3,0,0]=4 733 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,1,0,0,0,0|1,0,1]=3 734 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,1,0,0,0,0|0,0,1]=2 735 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,1,0,0,0,0|1,0,1]=3 736 B6R0.3 C=C(Cl)C(=O)OC MCULE-6494333767 [0,1,0,0,0,0|3,0,0]=4 737 B6R0.3 C=C(F)C(=O)OC MCULE-8485282148 [0,1,0,0,0,0|3,0,0]=4 738 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,1,0,0,0,0|1,0,0]=2 739 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,1,0,0,0,0|0,0,1]=2 740 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,1,0,0,0,0|0,0,2]=3 741 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,1,0,0,0,0|0,0,2]=3 742 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,1,0,0,0,0|0,0,2]=3 743 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,1,0,0,0,0|0,0,2]=3 744 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,1,0,0,0,0|0,0,2]=3 745 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,1,0,0,0,0|0,0,2]=3 746 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [0,1,0,0,0,0|2,0,1]=4 747 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,1,0,0,0,0|0,0,2]=3 748 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,1,0,0,0,0|0,0,2]=3 749 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,1,0,0,0,0|0,0,2]=3 750 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,1,0,0,0,0|0,0,2]=3 751 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,1,0,0,0,0|0,0,2]=3 752 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,1,0,0,0,0|0,0,2]=3 753 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,1,0,0,0,0|0,0,2]=3 754 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,1,0,0,0,0|0,0,2]=3 755 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,1,0,0,0,0|0,0,2]=3 756 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,1,0,0,0,0|0,0,2]=3 757 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,1,0,0,0,0|0,0,2]=3 758 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,1,0,0,0,0|1,0,0]=2 759 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,1,0,0,0,0|2,0,0]=3 760 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [0,1,0,0,0,0|3,0,0]=4 761 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [0,1,0,0,0,0|3,0,0]=4 762 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [0,1,0,0,0,0|3,0,0]=4 763 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [0,1,0,0,0,0|3,0,0]=4 764 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,1,0,0,0,0|2,0,1]=4 765 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,1,0,0,0,0|2,0,1]=4 766 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,1,0,0,0,0|2,0,1]=4 767 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,1,0,0,0,0|2,0,1]=4 768 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,1,0,0,0,0|1,0,2]=4 769 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,1,0,0,0,0|1,0,2]=4 770 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,1,0,0,0,0|1,0,2]=4 771 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,1,0,0,0,0|1,0,2]=4 772 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,1,0,0,0,0|1,0,2]=4 773 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,1,0,0,0,0|1,0,2]=4 774 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,1,0,0,0,0|1,0,2]=4 775 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,1,0,0,0,0|2,0,1]=4 776 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,1,0,0,0,0|2,0,1]=4 777 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,1,0,0,0,0|2,0,1]=4 778 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,1,0,0,0,0|2,0,1]=4 779 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,1,0,0,0,0|0,0,0]=1 780 B6R0.3 CC=C(C)B(O)O MCULE-7915552360 [0,1,0,0,0,0|1,0,1]=3 781 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [0,1,0,0,0,0|1,0,0]=2 782 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [0,1,0,0,0,0|1,0,0]=2 783 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,1,0,0,0,0|0,0,0]=1 784 B6R0.3 CC=C(C)C(C)C MCULE-4070109813 [0,1,0,0,0,0|2,0,1]=4 785 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,1,0,0,0,0|0,0,0]=1 786 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,1,0,0,0,0|0,0,0]=1 787 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,1,0,0,0,0|0,0,0]=1 788 B6R0.3 CCC(=C(C)C)C MCULE-7258057243 [0,1,0,0,0,0|2,0,1]=4 789 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,1,0,0,0,0|1,0,1]=3 790 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,1,0,0,0,0|0,0,1]=2 791 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,1,0,0,0,0|0,0,2]=3 792 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [0,1,0,0,0,0|1,0,2]=4 793 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,1,0,0,0,0|1,0,2]=4 794 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,1,0,0,0,0|1,0,2]=4 795 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,1,0,0,0,0|1,0,2]=4 796 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,1,0,0,0,0|1,0,2]=4 797 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,1,0,0,0,0|0,0,2]=3 798 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,1,0,0,0,0|1,0,2]=4 799 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,1,0,0,0,0|1,0,2]=4 800 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,1,0,0,0,0|1,0,2]=4 801 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,1,0,0,0,0|0,0,2]=3 802 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,1,0,0,0,0|0,0,2]=3 803 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,1,0,0,0,0|1,0,2]=4 804 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,1,0,0,0,0|1,0,2]=4 805 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,1,0,0,0,0|0,0,2]=3 806 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,1,0,0,0,0|0,0,2]=3 807 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,1,0,0,0,0|1,0,2]=4 808 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,1,0,0,0,0|1,0,2]=4 809 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,1,0,0,0,0|1,0,2]=4 810 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,1,0,0,0,0|1,0,2]=4 811 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,1,0,0,0,0|0,0,2]=3 812 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,1,0,0,0,0|0,0,2]=3 813 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,1,0,0,0,0|0,0,2]=3 814 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,1,0,0,0,0|0,0,2]=3 815 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,1,0,0,0,0|1,0,2]=4 816 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,1,0,0,0,0|0,0,2]=3 817 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,1,0,0,0,0|0,0,2]=3 818 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,1,0,0,0,0|0,0,3]=4 819 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,1,0,0,0,0|0,0,3]=4 820 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,1,0,0,0,0|1,0,2]=4 821 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,1,0,0,0,0|0,0,2]=3 822 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,1,0,0,0,0|2,0,1]=4 823 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,1,0,0,0,0|2,0,1]=4 824 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,1,0,0,0,0|2,0,1]=4 825 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,1,0,0,0,0|2,0,1]=4 826 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,1,0,0,0,0|0,0,2]=3 827 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,1,0,0,0,0|0,0,2]=3 828 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,1,0,0,0,0|1,0,2]=4 829 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,1,0,0,0,0|1,0,2]=4 830 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,1,0,0,0,0|0,0,2]=3 831 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,1,0,0,0,0|0,0,2]=3 832 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,1,0,0,0,0|0,0,2]=3 833 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,1,0,0,0,0|0,0,2]=3 834 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,1,0,0,0,0|1,0,2]=4 835 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,1,0,0,0,0|1,0,2]=4 836 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,1,0,0,0,0|1,0,2]=4 837 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,1,0,0,0,0|1,0,2]=4 838 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,1,0,0,0,0|0,0,2]=3 839 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,1,0,0,0,0|0,0,2]=3 840 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,1,0,0,0,0|0,0,2]=3 841 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,1,0,0,0,0|0,0,2]=3 842 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,1,0,0,0,0|0,0,2]=3 843 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,1,0,0,0,0|0,0,2]=3 844 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,1,0,0,0,0|0,0,2]=3 845 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,1,0,0,0,0|0,0,2]=3 846 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,1,0,0,0,0|0,0,2]=3 847 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,1,0,0,0,0|0,0,2]=3 848 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,1,0,0,0,0|0,0,2]=3 849 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,1,0,0,0,0|1,0,2]=4 850 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,1,0,0,0,0|1,0,2]=4 851 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,1,0,0,0,0|1,0,2]=4 852 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,1,0,0,0,0|1,0,2]=4 853 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,1,0,0,0,0|0,0,2]=3 854 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,1,0,0,0,0|0,0,2]=3 855 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,1,0,0,0,0|0,0,2]=3 856 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,1,0,0,0,0|0,0,2]=3 857 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,1,0,0,0,0|0,1,2]=4 858 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,1,0,0,0,0|0,1,2]=4 859 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,1,0,0,0,0|0,0,2]=3 860 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,1,0,0,0,0|0,0,2]=3 861 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,1,0,0,0,0|0,0,3]=4 862 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,1,0,0,0,0|1,0,0]=2 863 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,1,0,0,0,0|2,0,1]=4 864 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,1,0,0,0,0|2,0,1]=4 865 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,1,0,0,0,0|2,0,1]=4 866 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,1,0,0,0,0|2,0,1]=4 867 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,1,0,0,0,0|2,0,1]=4 868 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,1,0,0,0,0|1,0,1]=3 869 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,1,0,0,0,0|1,0,1]=3 870 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,1,0,0,0,0|1,0,1]=3 871 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,1,0,0,0,0|2,0,1]=4 872 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,1,0,0,0,0|1,0,1]=3 873 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,1,0,0,0,0|1,0,1]=3 874 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,1,0,0,0,0|1,0,1]=3 875 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,1,0,0,0,0|1,0,1]=3 876 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,1,0,0,0,0|1,0,1]=3 877 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,1,0,0,0,0|1,0,1]=3 878 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,1,0,0,0,0|1,0,1]=3 879 B6R0.3 COC(=O)C(=N)N MCULE-3129647301 [0,1,0,0,0,0|3,0,0]=4 880 B6R0.3 COC(=O)C(=N)N MCULE-4942451868 [0,1,0,0,0,0|3,0,0]=4 881 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [0,1,0,0,0,0|2,0,0]=3 882 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [0,1,0,0,0,0|2,0,0]=3 883 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,1,0,0,0,0|1,0,0]=2 884 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [0,1,0,0,0,0|1,0,1]=3 885 B6R0.3 COC(=O)C(=S)N MCULE-8900860523 [0,1,0,0,0,0|2,1,0]=4 886 B6R0.3 COC(=O)C(C)O MCULE-7040827393 [0,1,0,0,0,0|2,0,1]=4 887 B6R0.3 COC(=O)C(C)O MCULE-7872489483 [0,1,0,0,0,0|2,0,1]=4 888 B6R0.3 COC(=O)[C@@H](C)O MCULE-5441095431 [0,1,0,0,0,0|2,0,1]=4 889 B6R0.3 COC(=O)[C@@H](C)O MCULE-6924152779 [0,1,0,0,0,0|2,0,1]=4 890 B6R0.3 COC(=O)[C@H](C)O MCULE-2590929895 [0,1,0,0,0,0|2,0,1]=4 891 B6R0.3 COC(=O)[C@H](C)O MCULE-3292709954 [0,1,0,0,0,0|2,0,1]=4 892 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,1,0,0,0,0|2,0,1]=4 893 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,1,0,0,0,0|1,0,1]=3 894 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,1,0,0,0,0|2,0,1]=4 895 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,1,0,0,0,0|2,0,1]=4 896 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,1,0,0,0,0|1,0,1]=3 897 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,1,0,0,0,0|3,0,0]=4 898 B6R0.3 CON(C)C(=O)Cl MCULE-7217619495 [0,1,0,0,0,0|3,0,0]=4 899 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,1,0,0,0,0|2,0,1]=4 900 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,1,0,0,0,0|1,0,1]=3 901 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,1,0,0,0,0|1,0,1]=3 902 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,1,0,0,0,0|1,0,1]=3 903 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,1,0,0,0,0|1,0,1]=3 904 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,1,0,0,0,0|2,0,1]=4 905 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,1,0,0,0,0|1,0,1]=3 906 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,1,0,0,0,0|1,0,2]=4 907 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,1,0,0,0,0|1,0,2]=4 908 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,1,0,0,0,0|1,0,2]=4 909 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,1,0,0,0,0|1,0,2]=4 910 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,1,0,0,0,0|1,0,2]=4 911 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,1,0,0,0,0|1,0,2]=4 912 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,1,0,0,0,0|2,0,1]=4 913 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,1,0,0,0,0|2,0,1]=4 914 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,1,0,0,0,0|1,0,2]=4 915 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,1,0,0,0,0|1,0,2]=4 916 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,1,0,0,0,0|1,0,2]=4 917 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,1,0,0,0,0|1,0,2]=4 918 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,1,0,0,0,0|1,0,2]=4 919 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,1,0,0,0,0|1,0,2]=4 920 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,1,0,0,0,0|2,0,1]=4 921 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,1,0,0,0,0|2,0,1]=4 922 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,1,0,0,0,0|3,0,0]=4 923 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,1,0,0,0,0|1,0,2]=4 924 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,1,0,0,0,0|1,0,2]=4 925 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,1,0,0,0,0|1,0,2]=4 926 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,1,0,0,0,0|1,0,2]=4 927 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,1,0,0,0,0|1,0,2]=4 928 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,1,0,0,0,0|1,0,2]=4 929 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,1,0,0,0,0|1,0,2]=4 930 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,1,0,0,0,0|1,0,2]=4 931 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,1,0,0,0,0|1,0,2]=4 932 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,1,0,0,0,0|1,0,2]=4 933 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,1,0,0,0,0|1,0,2]=4 934 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,1,0,0,0,0|1,0,2]=4 935 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,1,0,0,0,0|1,0,2]=4 936 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,1,0,0,0,0|1,0,2]=4 937 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,1,0,0,0,0|1,0,2]=4 938 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,1,0,0,0,0|1,0,2]=4 939 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,1,0,0,0,0|1,0,2]=4 940 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,1,0,0,0,0|1,0,2]=4 941 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,1,0,0,0,0|1,0,2]=4 942 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,1,0,0,0,0|1,0,2]=4 943 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,1,0,0,0,0|1,0,2]=4 944 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,1,0,0,0,0|1,0,2]=4 945 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,1,0,0,0,0|1,0,2]=4 946 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,1,0,0,0,0|1,0,2]=4 947 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,1,0,0,0,0|1,0,2]=4 948 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,1,0,0,0,0|1,0,2]=4 949 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,1,0,0,0,0|1,0,2]=4 950 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,1,0,0,0,0|1,0,2]=4 951 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,1,0,0,0,0|1,0,2]=4 952 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,1,0,0,0,0|1,0,2]=4 953 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,1,0,0,0,0|1,0,2]=4 954 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,1,0,0,0,0|1,0,2]=4 955 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,1,0,0,0,0|1,0,2]=4 956 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,1,0,0,0,0|1,0,2]=4 957 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,1,0,0,0,0|1,0,2]=4 958 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,1,0,0,0,0|1,0,2]=4 959 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,1,0,0,0,0|1,0,2]=4 960 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,1,0,0,0,0|1,0,2]=4 961 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,1,0,0,0,0|1,0,2]=4 962 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,1,0,0,0,0|1,0,2]=4 963 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,1,0,0,0,0|1,0,2]=4 964 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,1,0,0,0,0|1,0,2]=4 965 B6R0.3 NNC(=O)C(=O)N MCULE-5080628360 [0,1,0,0,0,0|3,0,0]=4 966 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,1,0,0,0,0|1,0,2]=4 967 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,1,0,0,0,0|1,0,2]=4 968 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,1,0,0,0,0|1,0,2]=4 969 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,1,0,0,0,0|1,0,2]=4 970 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,1,0,0,0,0|1,0,2]=4 971 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,1,0,0,0,0|1,0,2]=4 972 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,1,0,0,0,0|1,0,2]=4 973 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,1,0,0,0,0|1,0,2]=4 974 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,1,0,0,0,0|1,0,2]=4 975 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,1,0,0,0,0|1,0,2]=4 976 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,1,0,0,0,0|1,0,2]=4 977 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,1,0,0,0,0|1,0,2]=4 978 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,1,0,0,0,0|1,0,2]=4 979 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,1,0,0,0,0|1,0,2]=4 980 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,1,0,0,0,0|1,0,2]=4 981 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,1,0,0,0,0|1,0,2]=4 982 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,1,0,0,0,0|1,0,2]=4 983 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,1,0,0,0,0|1,0,2]=4 984 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,1,0,0,0,0|1,0,2]=4 985 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,1,0,0,0,0|1,0,2]=4 986 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,1,0,0,0,0|1,0,2]=4 987 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,1,0,0,0,0|1,0,2]=4 988 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,1,0,0,0,0|1,0,2]=4 989 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,1,0,0,0,0|1,0,2]=4 990 B6R0.3 O=C(Cl)/C(=C/Cl)/Cl MCULE-1765210878 [0,1,0,0,0,0|2,0,0]=3 991 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [0,1,0,0,0,0|2,0,1]=4 992 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [0,1,0,0,0,0|1,0,0]=2 993 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [0,1,0,0,0,0|1,0,0]=2 994 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,1,0,0,0,0|1,0,1]=3 995 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,1,0,0,0,0|1,0,1]=3 996 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,1,0,0,0,0|1,0,1]=3 997 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,1,0,0,0,0|1,0,1]=3 998 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,1,0,0,0,0|1,0,1]=3 999 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,1,0,0,0,0|1,0,2]=4 1000 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,1,0,0,0,0|1,0,2]=4 1001 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,1,0,0,0,0|1,0,2]=4 1002 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,1,0,0,0,0|1,0,2]=4 1003 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,1,0,0,0,0|1,0,2]=4 1004 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,1,0,0,0,0|1,0,2]=4 1005 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,1,0,0,0,0|1,0,2]=4 1006 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,1,0,0,0,0|1,0,2]=4 1007 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,1,0,0,0,0|1,0,2]=4 1008 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,1,0,0,0,0|1,0,2]=4 1009 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,1,0,0,0,0|1,0,2]=4 1010 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,1,0,0,0,0|1,0,2]=4 1011 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,1,0,0,0,0|1,0,2]=4 1012 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,1,0,0,0,0|1,0,2]=4 1013 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,1,0,0,0,0|1,0,2]=4 1014 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,1,0,0,0,0|1,0,2]=4 1015 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,1,0,0,0,0|1,0,2]=4 1016 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [0,1,0,0,0,0|1,0,2]=4 1017 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [0,1,0,0,0,0|1,0,2]=4 1018 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,1,0,0,0,0|0,0,2]=3 1019 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,1,0,0,0,0|1,0,2]=4 1020 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,1,0,0,0,0|1,0,1]=3 1021 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,1,0,0,0,0|0,0,2]=3 1022 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,1,0,0,0,0|1,0,2]=4 1023 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [0,1,0,0,0,0|0,0,3]=4 1024 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [0,1,0,0,0,0|1,0,0]=2 1025 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,1,0,0,0,0|1,0,0]=2 1026 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [0,1,0,0,0,0|0,0,0]=1 1027 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [0,1,0,0,0,0|2,0,0]=3 1028 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [0,1,0,0,0,0|0,0,1]=2 1029 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [0,1,0,0,0,0|0,0,2]=3 1030 B6R0.4 C=CC=CC(=O)Cl MCULE-6383997047 [0,1,0,0,0,0|1,0,1]=3 1031 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [0,1,0,0,0,0|0,0,1]=2 1032 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [0,1,0,0,0,0|1,0,2]=4 1033 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [0,1,0,0,0,0|1,0,2]=4 1034 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,1,0,0,0,0|1,0,2]=4 1035 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,1,0,0,0,0|0,0,2]=3 1036 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [0,1,0,0,0,0|1,0,2]=4 1037 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [0,1,0,0,0,0|1,0,2]=4 1038 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,1,0,0,0,0|1,0,2]=4 1039 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [0,1,0,0,0,0|1,0,2]=4 1040 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,1,0,0,0,0|1,0,2]=4 1041 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,1,0,0,0,0|0,0,2]=3 1042 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [0,1,0,0,0,0|0,0,2]=3 1043 B6R0.4 CC(=CCCBr)C MCULE-9403575147 [0,1,0,0,0,0|2,0,1]=4 1044 B6R0.4 CC(=CCCN)C MCULE-9185531904 [0,1,0,0,0,0|2,0,1]=4 1045 B6R0.4 CC(=CCCO)C MCULE-2493404466 [0,1,0,0,0,0|2,0,1]=4 1046 B6R0.4 CC(=CCCO)C MCULE-8497528596 [0,1,0,0,0,0|2,0,1]=4 1047 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,1,0,0,0,0|2,0,1]=4 1048 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,1,0,0,0,0|1,0,2]=4 1049 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,1,0,0,0,0|1,0,2]=4 1050 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,1,0,0,0,0|1,0,2]=4 1051 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,1,0,0,0,0|2,0,1]=4 1052 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,1,0,0,0,0|2,0,1]=4 1053 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,1,0,0,0,0|2,0,1]=4 1054 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,1,0,0,0,0|2,0,1]=4 1055 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,1,0,0,0,0|2,0,1]=4 1056 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,1,0,0,0,0|2,0,1]=4 1057 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,1,0,0,0,0|2,0,1]=4 1058 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,1,0,0,0,0|2,0,1]=4 1059 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,1,0,0,0,0|2,0,1]=4 1060 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,1,0,0,0,0|2,0,1]=4 1061 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,1,0,0,0,0|2,0,1]=4 1062 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,1,0,0,0,0|2,0,1]=4 1063 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,1,0,0,0,0|2,0,1]=4 1064 B6R0.4 CC(C)C=CCBr MCULE-9812152361 [0,1,0,0,0,0|2,0,1]=4 1065 B6R0.4 CC/C=C/C(=N)N MCULE-7871697378 [0,1,0,0,0,0|2,0,0]=3 1066 B6R0.4 CC/C=C/C(=N)N MCULE-9276291098 [0,1,0,0,0,0|2,0,0]=3 1067 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [0,1,0,0,0,0|1,0,0]=2 1068 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [0,1,0,0,0,0|0,0,0]=1 1069 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [0,1,0,0,0,0|0,0,0]=1 1070 B6R0.4 CC=CCC(C)C MCULE-7145682250 [0,1,0,0,0,0|2,0,1]=4 1071 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [0,1,0,0,0,0|2,0,0]=3 1072 B6R0.4 CC=NNC(=S)N MCULE-3128372277 [0,1,0,0,0,0|2,1,0]=4 1073 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [0,1,0,0,0,0|1,0,2]=4 1074 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [0,1,0,0,0,0|0,0,2]=3 1075 B6R0.4 CCC=CB(O)O MCULE-6166989227 [0,1,0,0,0,0|1,0,1]=3 1076 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [0,1,0,0,0,0|1,0,0]=2 1077 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [0,1,0,0,0,0|1,0,0]=2 1078 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [0,1,0,0,0,0|0,0,0]=1 1079 B6R0.4 CCCC=C(C)C MCULE-2110588796 [0,1,0,0,0,0|2,0,1]=4 1080 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,1,0,0,0,0|1,0,2]=4 1081 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,1,0,0,0,0|1,0,2]=4 1082 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,1,0,0,0,0|1,0,2]=4 1083 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,1,0,0,0,0|1,0,2]=4 1084 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,1,0,0,0,0|0,0,2]=3 1085 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,1,0,0,0,0|0,0,3]=4 1086 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,1,0,0,0,0|1,0,2]=4 1087 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [0,1,0,0,0,0|1,0,2]=4 1088 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,1,0,0,0,0|1,0,2]=4 1089 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,1,0,0,0,0|1,0,2]=4 1090 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,1,0,0,0,0|1,0,2]=4 1091 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,1,0,0,0,0|1,0,2]=4 1092 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,1,0,0,0,0|1,0,2]=4 1093 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [0,1,0,0,0,0|1,0,2]=4 1094 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,1,0,0,0,0|1,0,2]=4 1095 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,1,0,0,0,0|1,0,2]=4 1096 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,1,0,0,0,0|1,0,2]=4 1097 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,1,0,0,0,0|1,0,2]=4 1098 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,1,0,0,0,0|0,0,2]=3 1099 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,1,0,0,0,0|0,0,2]=3 1100 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,1,0,0,0,0|1,0,2]=4 1101 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,1,0,0,0,0|1,0,2]=4 1102 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,1,0,0,0,0|0,0,2]=3 1103 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,1,0,0,0,0|1,0,2]=4 1104 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,1,0,0,0,0|0,0,2]=3 1105 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,1,0,0,0,0|1,0,2]=4 1106 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,1,0,0,0,0|1,0,2]=4 1107 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,1,0,0,0,0|0,0,2]=3 1108 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,1,0,0,0,0|0,0,2]=3 1109 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [0,1,0,0,0,0|1,0,0]=2 1110 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [0,1,0,0,0,0|0,0,0]=1 1111 B6R0.4 COC=CC(=O)C MCULE-4868833764 [0,1,0,0,0,0|1,0,0]=2 1112 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [0,1,0,0,0,0|1,0,0]=2 1113 B6R0.4 COC=CC(=O)O MCULE-4252899122 [0,1,0,0,0,0|0,0,0]=1 1114 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,1,0,0,0,0|1,0,2]=4 1115 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,1,0,0,0,0|1,0,2]=4 1116 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,1,0,0,0,0|1,0,2]=4 1117 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,1,0,0,0,0|0,0,2]=3 1118 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,1,0,0,0,0|2,0,1]=4 1119 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,1,0,0,0,0|2,0,1]=4 1120 B6R0.4 CON=CC(=O)O MCULE-6800819509 [0,1,0,0,0,0|1,0,0]=2 1121 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,1,0,0,0,0|1,0,2]=4 1122 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [0,1,0,0,0,0|1,0,2]=4 1123 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,1,0,0,0,0|1,0,2]=4 1124 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,1,0,0,0,0|0,0,2]=3 1125 B6R0.4 CSCOC(=O)C MCULE-1498769347 [0,1,0,0,0,0|2,0,1]=4 1126 B6R0.4 CSSCC(=O)O MCULE-5829510166 [0,1,0,0,0,0|1,0,1]=3 1127 B6R0.4 FC(=CCCBr)F MCULE-2616028843 [0,1,0,0,0,0|2,0,1]=4 1128 B6R0.4 FC(=CCCCl)F MCULE-2193644602 [0,1,0,0,0,0|2,0,1]=4 1129 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [0,1,0,0,0,0|0,0,1]=2 1130 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [0,1,0,0,0,0|0,0,3]=4 1131 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [0,1,0,0,0,0|1,0,2]=4 1132 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [0,1,0,0,0,0|2,0,1]=4 1133 B6R0.4 N/N=C/NC(=O)N MCULE-6272806279 [0,1,0,0,0,0|3,0,0]=4 1134 B6R0.4 N/N=C/NC(=O)N MCULE-7518775080 [0,1,0,0,0,0|3,0,0]=4 1135 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,1,0,0,0,0|1,0,2]=4 1136 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,1,0,0,0,0|1,0,2]=4 1137 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,1,0,0,0,0|2,0,1]=4 1138 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,1,0,0,0,0|2,0,1]=4 1139 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,1,0,0,0,0|2,0,1]=4 1140 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,1,0,0,0,0|2,0,1]=4 1141 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,1,0,0,0,0|2,0,1]=4 1142 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [0,1,0,0,0,0|0,0,0]=1 1143 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [0,1,0,0,0,0|0,0,2]=3 1144 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [0,1,0,0,0,0|0,0,0]=1 1145 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [0,1,0,0,0,0|0,0,0]=1 1146 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [0,1,0,0,0,0|1,0,2]=4 1147 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [0,1,0,0,0,0|1,0,2]=4 1148 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,1,0,0,0,0|1,0,2]=4 1149 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,1,0,0,0,0|1,0,2]=4 1150 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,1,0,0,0,0|0,0,2]=3 1151 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,1,0,0,0,0|0,0,2]=3 1152 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,1,0,0,0,0|2,0,1]=4 1153 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,1,0,0,0,0|2,0,1]=4 1154 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,1,0,0,0,0|2,0,1]=4 1155 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,1,0,0,0,0|2,0,1]=4 1156 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,1,0,0,0,0|2,0,1]=4 1157 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,1,0,0,0,0|1,0,2]=4 1158 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,1,0,0,0,0|1,0,2]=4 1159 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [0,1,0,0,0,0|1,0,2]=4 1160 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [0,1,0,0,0,0|1,0,2]=4 1161 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,1,0,0,0,0|2,0,1]=4 1162 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,1,0,0,0,0|2,0,1]=4 1163 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,1,0,0,0,0|2,0,1]=4 1164 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [0,1,0,0,0,0|0,0,0]=1 1165 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [0,1,0,0,0,0|0,0,0]=1 1166 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [0,1,0,0,0,0|0,0,0]=1 1167 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [0,1,0,0,0,0|0,0,2]=3 1168 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [0,1,0,0,0,0|0,0,2]=3 1169 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [0,1,0,0,0,0|0,0,2]=3 1170 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [0,1,0,0,0,0|0,0,0]=1 1171 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [0,1,0,0,0,0|0,0,0]=1 1172 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [0,1,0,0,0,0|0,0,0]=1 1173 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,1,0,0,0,0|0,0,2]=3 1174 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,1,0,0,0,0|0,0,2]=3 1175 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,1,0,0,0,0|0,0,2]=3 1176 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,1,0,0,0,0|0,0,2]=3 1177 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,1,0,0,0,0|0,0,2]=3 1178 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,1,0,0,0,0|1,0,1]=3 1179 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [0,1,0,0,0,0|0,0,3]=4 1180 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [0,1,0,0,0,0|1,0,2]=4 1181 B6R0.4 O=CC=CB(O)O MCULE-4655446000 [0,1,0,0,0,0|1,0,2]=4 1182 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,1,0,0,0,0|1,0,1]=3 1183 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [0,1,0,0,0,0|1,0,1]=3 1184 B6R0.4 OB(O)/C=C/CCl MCULE-9221515028 [0,1,0,0,0,0|1,0,1]=3 1185 B6R0.4 OB(O)C=CCCl MCULE-3662189757 [0,1,0,0,0,0|1,0,1]=3 1186 B6R0.5 C/C=C/C(F)(F)F MCULE-2905049653 [0,1,0,0,0,0|2,0,1]=4 1187 B6R0.5 C/C=C/[B-](F)(F)F MCULE-3335611121 [0,1,0,0,0,0|3,0,0]=4 1188 B6R0.5 C/C=C/[B-](F)(F)F MCULE-4141205615 [0,1,0,0,0,0|3,0,0]=4 1189 B6R0.5 C/C=C\P(=O)(O)O MCULE-8382984782 [0,1,0,0,0,0|1,0,0]=2 1190 B6R0.5 C/C=C\[B-](F)(F)F MCULE-6788579856 [0,1,0,0,0,0|3,0,0]=4 1191 B6R0.5 C/C=C\[B-](F)(F)F MCULE-7047692338 [0,1,0,0,0,0|3,0,0]=4 1192 B6R0.5 C=CCS(=O)(=O)O MCULE-2373600268 [0,1,0,0,0,0|1,0,2]=4 1193 B6R0.5 CC=CC(F)(F)F MCULE-9621139720 [0,1,0,0,0,0|2,0,1]=4 1194 B6R0.5 CC=CP(=O)(O)O MCULE-3593796042 [0,1,0,0,0,0|1,0,0]=2 1195 B6R0.5 CC=CS(=O)(=O)Cl MCULE-2808966547 [0,1,0,0,0,0|1,0,1]=3 1196 B6R0.5 CC=C[B-](F)(F)F MCULE-1518170629 [0,1,0,0,0,0|3,0,0]=4 1197 B6R0.5 CC=C[B-](F)(F)F MCULE-4523990415 [0,1,0,0,0,0|3,0,0]=4 1198 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [0,1,0,0,0,0|1,0,2]=4 1199 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [0,1,0,0,0,0|1,0,2]=4 1200 B6R0.5 CCNS(=O)(=O)O MCULE-8674266317 [0,1,0,0,0,0|2,0,1]=4 1201 B6R0.5 CNCP(=O)(O)O MCULE-6684762988 [0,1,0,0,0,0|2,0,1]=4 1202 B6R0.5 O=CCS(=O)(=O)O MCULE-1262210475 [0,1,0,0,0,0|2,0,1]=4 1203 B6R1.2 BrC1=CC=CN1 MCULE-5264580992 [0,0,0,1,0,0|2,0,1]=4 1204 B6R1.2 BrC1=CC=CO1 MCULE-5734064318 [0,0,0,1,0,0|1,0,1]=3 1205 B6R1.2 BrC1=CC=CS1 MCULE-1364150691 [0,0,0,1,0,0|1,1,1]=4 1206 B6R1.2 BrC1=CC=C[Se]1 MCULE-9011330064 [0,0,0,1,0,0|1,1,1]=4 1207 B6R1.2 BrC1=CC=NN1 MCULE-9341716246 [0,0,0,1,0,0|3,0,0]=4 1208 B6R1.2 BrC1=CC=NO1 MCULE-9219362534 [0,0,0,1,0,0|2,0,0]=3 1209 B6R1.2 BrC1=CC=NS1 MCULE-2346915540 [0,0,0,1,0,0|2,1,0]=4 1210 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [0,0,0,1,0,0|2,0,1]=4 1211 B6R1.2 BrC1=CN=CO1 MCULE-5651145478 [0,0,0,1,0,0|2,0,1]=4 1212 B6R1.2 BrC1=CN=CO1 MCULE-8656599411 [0,0,0,1,0,0|2,0,1]=4 1213 B6R1.2 BrC1=CNC=C1 MCULE-2704154564 [0,0,0,1,0,0|3,0,0]=4 1214 B6R1.2 BrC1=COC=C1 MCULE-7282301463 [0,0,0,1,0,0|3,0,0]=4 1215 B6R1.2 BrC1=COCC1 MCULE-8057569313 [0,0,0,1,0,0|3,0,0]=4 1216 B6R1.2 BrC1=CSC=C1 MCULE-6680927224 [0,0,0,1,0,0|3,0,0]=4 1217 B6R1.2 BrC1=NC=CO1 MCULE-2104886923 [0,0,0,1,0,0|2,0,1]=4 1218 B6R1.2 BrC1=NC=CO1 MCULE-2745860961 [0,0,0,1,0,0|2,0,1]=4 1219 B6R1.2 BrC1=NOC=C1 MCULE-1786338778 [0,0,0,1,0,0|3,0,0]=4 1220 B6R1.2 BrC1=NSC=C1 MCULE-5948625316 [0,0,0,1,0,0|3,0,0]=4 1221 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [0,0,0,1,0,0|2,0,1]=4 1222 B6R1.2 CC1=CC=CN1 MCULE-7608248575 [0,0,0,1,0,0|2,0,1]=4 1223 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [0,0,0,1,0,0|1,0,1]=3 1224 B6R1.2 CC1=CC=CS1 MCULE-7297776024 [0,0,0,1,0,0|1,1,1]=4 1225 B6R1.2 CC1=CC=NN1 MCULE-1457877312 [0,0,0,1,0,0|3,0,0]=4 1226 B6R1.2 CC1=CC=NN1 MCULE-3441401586 [0,0,0,1,0,0|3,0,0]=4 1227 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [0,0,0,1,0,0|2,0,0]=3 1228 B6R1.2 CC1=CC=NS1 MCULE-4163670775 [0,0,0,1,0,0|2,1,0]=4 1229 B6R1.2 CC1=CCCC1 MCULE-8508688474 [0,0,0,1,0,0|2,0,1]=4 1230 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,0,0,1,0,0|1,0,1]=3 1231 B6R1.2 CC1=CN=CO1 MCULE-4609626879 [0,0,0,1,0,0|2,0,1]=4 1232 B6R1.2 CC1=CNC=C1 MCULE-9114555776 [0,0,0,1,0,0|3,0,0]=4 1233 B6R1.2 CC1=COC=C1 MCULE-1597223627 [0,0,0,1,0,0|3,0,0]=4 1234 B6R1.2 CC1=CSC=C1 MCULE-1408158529 [0,0,0,1,0,0|3,0,0]=4 1235 B6R1.2 CC1=NC=CO1 MCULE-7894525701 [0,0,0,1,0,0|2,0,1]=4 1236 B6R1.2 CC1=NCCO1 MCULE-8564633040 [0,0,0,1,0,0|2,0,1]=4 1237 B6R1.2 CC1=NOC=C1 MCULE-1572732397 [0,0,0,1,0,0|3,0,0]=4 1238 B6R1.2 CC1=NSC=C1 MCULE-6941128185 [0,0,0,1,0,0|3,0,0]=4 1239 B6R1.2 CC1C=CCC1 MCULE-1638534048 [0,0,0,1,0,0|2,0,1]=4 1240 B6R1.2 ClC1=CC=CO1 MCULE-3538307465 [0,0,0,1,0,0|1,0,1]=3 1241 B6R1.2 ClC1=CC=CS1 MCULE-2640438050 [0,0,0,1,0,0|1,1,1]=4 1242 B6R1.2 ClC1=CC=NN1 MCULE-3560728451 [0,0,0,1,0,0|3,0,0]=4 1243 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [0,0,0,1,0,0|2,0,1]=4 1244 B6R1.2 ClC1=CSC=C1 MCULE-1998275400 [0,0,0,1,0,0|3,0,0]=4 1245 B6R1.2 ClC1=NC=CO1 MCULE-1860416745 [0,0,0,1,0,0|2,0,1]=4 1246 B6R1.2 ClC1=NC=CO1 MCULE-4765528658 [0,0,0,1,0,0|2,0,1]=4 1247 B6R1.2 ClC1=NNC=C1 MCULE-6678816051 [0,0,0,1,0,0|3,0,0]=4 1248 B6R1.2 ClC1=NSC=C1 MCULE-5743382341 [0,0,0,1,0,0|3,0,0]=4 1249 B6R1.2 FC1=CC=CS1 MCULE-5362233873 [0,0,0,1,0,0|1,1,1]=4 1250 B6R1.2 FC1=CSC=C1 MCULE-3342972910 [0,0,0,1,0,0|3,0,0]=4 1251 B6R1.2 FC1=NNC=C1 MCULE-3532126949 [0,0,0,1,0,0|3,0,0]=4 1252 B6R1.2 IC1=CC=CO1 MCULE-6467830719 [0,0,0,1,0,0|1,0,1]=3 1253 B6R1.2 IC1=CC=CS1 MCULE-6025659368 [0,0,0,1,0,0|1,1,1]=4 1254 B6R1.2 IC1=CC=NN1 MCULE-9744954898 [0,0,0,1,0,0|3,0,0]=4 1255 B6R1.2 IC1=CC=NS1 MCULE-7758361866 [0,0,0,1,0,0|2,1,0]=4 1256 B6R1.2 IC1=CCCC1 MCULE-5953451970 [0,0,0,1,0,0|2,0,1]=4 1257 B6R1.2 IC1=CNC=C1 MCULE-4230351559 [0,0,0,1,0,0|3,0,0]=4 1258 B6R1.2 IC1=COCC1 MCULE-3076361502 [0,0,0,1,0,0|3,0,0]=4 1259 B6R1.2 IC1=CSC=C1 MCULE-1100365117 [0,0,0,1,0,0|3,0,0]=4 1260 B6R1.2 IC1=NC=CO1 MCULE-2254947090 [0,0,0,1,0,0|2,0,1]=4 1261 B6R1.2 IC1=NNC=C1 MCULE-9771094813 [0,0,0,1,0,0|3,0,0]=4 1262 B6R1.2 NC1=CC=CN1 MCULE-5653620818 [0,0,0,1,0,0|2,0,1]=4 1263 B6R1.2 NC1=CC=CN1 MCULE-9753432085 [0,0,0,1,0,0|2,0,1]=4 1264 B6R1.2 NC1=CC=CO1 MCULE-2421139965 [0,0,0,1,0,0|1,0,1]=3 1265 B6R1.2 NC1=CC=CS1 MCULE-1649510352 [0,0,0,1,0,0|1,1,1]=4 1266 B6R1.2 NC1=CC=CS1 MCULE-9501271303 [0,0,0,1,0,0|1,1,1]=4 1267 B6R1.2 NC1=CC=NO1 MCULE-3638275568 [0,0,0,1,0,0|2,0,0]=3 1268 B6R1.2 NC1=CC=NS1 MCULE-2159626770 [0,0,0,1,0,0|2,1,0]=4 1269 B6R1.2 NC1=CC=NS1 MCULE-8733584582 [0,0,0,1,0,0|2,1,0]=4 1270 B6R1.2 NC1=CN=CO1 MCULE-4492961257 [0,0,0,1,0,0|2,0,1]=4 1271 B6R1.2 NC1=CNC=C1 MCULE-1411730985 [0,0,0,1,0,0|3,0,0]=4 1272 B6R1.2 NC1=CNC=C1 MCULE-7701316156 [0,0,0,1,0,0|3,0,0]=4 1273 B6R1.2 NC1=COC=C1 MCULE-1858324031 [0,0,0,1,0,0|3,0,0]=4 1274 B6R1.2 NC1=COC=C1 MCULE-3985426542 [0,0,0,1,0,0|3,0,0]=4 1275 B6R1.2 NC1=CSC=C1 MCULE-1673174137 [0,0,0,1,0,0|3,0,0]=4 1276 B6R1.2 NC1=CSC=C1 MCULE-5461897385 [0,0,0,1,0,0|3,0,0]=4 1277 B6R1.2 NC1=CSC=C1 MCULE-6200615331 [0,0,0,1,0,0|3,0,0]=4 1278 B6R1.2 NC1=CSC=C1 MCULE-9439581665 [0,0,0,1,0,0|3,0,0]=4 1279 B6R1.2 NC1=NC=CO1 MCULE-7316590930 [0,0,0,1,0,0|2,0,1]=4 1280 B6R1.2 NC1=NCCO1 MCULE-1257431295 [0,0,0,1,0,0|2,0,1]=4 1281 B6R1.2 NC1=NCCO1 MCULE-9912511107 [0,0,0,1,0,0|2,0,1]=4 1282 B6R1.2 NC1=NNC=C1 MCULE-1507683823 [0,0,0,1,0,0|3,0,0]=4 1283 B6R1.2 NC1=NNC=C1 MCULE-5117516307 [0,0,0,1,0,0|3,0,0]=4 1284 B6R1.2 NC1=NNC=C1 MCULE-7091290697 [0,0,0,1,0,0|3,0,0]=4 1285 B6R1.2 NC1=NOC=C1 MCULE-5363092492 [0,0,0,1,0,0|3,0,0]=4 1286 B6R1.2 NC1=NSC=C1 MCULE-2731864153 [0,0,0,1,0,0|3,0,0]=4 1287 B6R1.2 NC1=NSC=C1 MCULE-4778941442 [0,0,0,1,0,0|3,0,0]=4 1288 B6R1.2 NC1C=CCC1 MCULE-2537724380 [0,0,0,1,0,0|2,0,1]=4 1289 B6R1.2 NC1C=CCC1 MCULE-5017993489 [0,0,0,1,0,0|2,0,1]=4 1290 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [0,0,0,1,0,0|1,0,0]=2 1291 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [0,0,0,1,0,0|1,0,0]=2 1292 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [0,0,0,1,0,0|0,0,0]=1 1293 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [0,0,0,1,0,0|0,1,0]=2 1294 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [0,0,0,1,0,0|2,0,0]=3 1295 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [0,0,0,1,0,0|2,0,0]=3 1296 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [0,0,0,1,0,0|2,0,0]=3 1297 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [0,0,0,1,0,0|1,0,2]=4 1298 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [0,0,0,1,0,0|2,0,1]=4 1299 B6R1.2 O=C1CCCC1 MCULE-9455227735 [0,0,0,1,0,0|1,0,2]=4 1300 B6R1.2 O=C1CCCN1 MCULE-3061780794 [0,0,0,1,0,0|1,0,2]=4 1301 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,0,0,1,0,0|0,0,2]=3 1302 B6R1.2 O=C1CCCS1 MCULE-5361654550 [0,0,0,1,0,0|0,1,2]=4 1303 B6R1.2 O=C1CCNC1 MCULE-2947789259 [0,0,0,1,0,0|2,0,1]=4 1304 B6R1.2 O=C1CCNC1 MCULE-7192595052 [0,0,0,1,0,0|2,0,1]=4 1305 B6R1.2 O=C1CCNN1 MCULE-7030953666 [0,0,0,1,0,0|3,0,0]=4 1306 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,0,0,1,0,0|2,0,1]=4 1307 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,0,0,1,0,0|3,0,0]=4 1308 B6R1.2 O=C1CCSC1 MCULE-2059655624 [0,0,0,1,0,0|2,0,1]=4 1309 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [0,0,0,1,0,0|3,0,0]=4 1310 B6R1.2 O=C1CNCN1 MCULE-2645891847 [0,0,0,1,0,0|2,0,1]=4 1311 B6R1.2 O=C1CNCN1 MCULE-9269137129 [0,0,0,1,0,0|2,0,1]=4 1312 B6R1.2 O=C1CSCN1 MCULE-3946660854 [0,0,0,1,0,0|2,0,1]=4 1313 B6R1.2 O=C1N=CN=N1 MCULE-3721166402 [0,0,0,1,0,0|3,0,0]=4 1314 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [0,0,0,1,0,0|2,0,1]=4 1315 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [0,0,0,1,0,0|1,0,1]=3 1316 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [0,0,0,1,0,0|1,1,1]=4 1317 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [0,0,0,1,0,0|3,0,0]=4 1318 B6R1.2 O=C1NCCN1 MCULE-9806791551 [0,0,0,1,0,0|2,0,1]=4 1319 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,0,0,1,0,0|1,0,1]=3 1320 B6R1.2 O=C1NCCS1 MCULE-6732478086 [0,0,0,1,0,0|1,1,1]=4 1321 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [0,0,0,1,0,0|1,0,1]=3 1322 B6R1.2 O=C1OCCO1 MCULE-9493253045 [0,0,0,1,0,0|1,0,1]=3 1323 B6R1.2 O=S1OCCO1 MCULE-5773173321 [0,0,0,1,0,0|2,0,1]=4 1324 B6R1.2 OC1=CC=CO1 MCULE-7591676996 [0,0,0,1,0,0|0,0,2]=3 1325 B6R1.2 OC1=CC=CS1 MCULE-8044830478 [0,0,0,1,0,0|0,1,1]=3 1326 B6R1.2 OC1=CC=NN1 MCULE-9109008036 [0,0,0,1,0,0|2,0,0]=3 1327 B6R1.2 OC1=CN=CS1 MCULE-4004908551 [0,0,0,1,0,0|1,1,1]=4 1328 B6R1.2 OC1=CNC=C1 MCULE-3938204755 [0,0,0,1,0,0|2,0,0]=3 1329 B6R1.2 OC1=CNC=N1 MCULE-1911765165 [0,0,0,1,0,0|2,0,1]=4 1330 B6R1.2 OC1=CNN=C1 MCULE-5672706063 [0,0,0,1,0,0|3,0,0]=4 1331 B6R1.2 OC1=CNN=C1 MCULE-5774317326 [0,0,0,1,0,0|3,0,0]=4 1332 B6R1.2 OC1=CON=C1 MCULE-9622003135 [0,0,0,1,0,0|3,0,0]=4 1333 B6R1.2 OC1=CSC=C1 MCULE-2226095386 [0,0,0,1,0,0|2,0,0]=3 1334 B6R1.2 OC1=NN=CO1 MCULE-5444445027 [0,0,0,1,0,0|3,0,0]=4 1335 B6R1.2 OC1=NN=CS1 MCULE-9934931556 [0,0,0,1,0,0|3,0,0]=4 1336 B6R1.2 OC1=NOC=C1 MCULE-6441945551 [0,0,0,1,0,0|2,0,0]=3 1337 B6R1.2 OC1=NSN=C1 MCULE-1499049623 [0,0,0,1,0,0|3,0,0]=4 1338 B6R1.2 OC1C=CCC1 MCULE-3857764876 [0,0,0,1,0,0|1,0,1]=3 1339 B6R1.2 OC1C=CCO1 MCULE-4636930669 [0,0,0,1,0,0|0,0,2]=3 1340 B6R1.2 ON1C=CC=N1 MCULE-8533909959 [0,0,0,1,0,0|2,0,1]=4 1341 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [0,0,0,1,0,0|2,0,1]=4 1342 B6R1.2 S=C1NC=CO1 MCULE-6706918798 [0,0,0,1,0,0|1,1,1]=4 1343 B6R1.2 SC1=CC=CS1 MCULE-8882266878 [0,0,0,1,0,0|0,2,1]=4 1344 B6R1.2 SC1=CSC=C1 MCULE-8930005512 [0,0,0,1,0,0|2,1,0]=4 1345 B6R1.2 SC1=NCCO1 MCULE-6684545723 [0,0,0,1,0,0|1,1,1]=4 1346 B6R1.2 [TlH2]C1=CC=CC1 MCULE-7402896981 [0,0,0,1,0,0|2,0,1]=4 1347 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,0,0,1,0,0|0,0,2]=3 1348 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,0,0,1,0,0|1,0,2]=4 1349 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,0,0,1,0,0|1,0,2]=4 1350 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,0,0,1,0,0|0,0,2]=3 1351 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [0,0,0,1,0,0|2,0,1]=4 1352 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [0,0,0,1,0,0|2,0,1]=4 1353 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,0,0,1,0,0|0,0,2]=3 1354 B6R1.10 O=S1(=O)C=CC1 MCULE-7285340589 [0,0,0,1,0,0|1,0,1]=3 1355 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [0,0,0,1,0,0|1,0,2]=4 1356 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,0,0,1,0,0|2,0,1]=4 1357 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [0,0,0,1,0,0|1,0,2]=4 1358 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,0,0,1,0,0|2,0,1]=4 1359 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [0,0,0,1,0,0|1,0,2]=4 1360 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,0,0,1,0,0|0,0,2]=3 1361 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,0,0,1,0,0|1,0,1]=3 1362 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,0,0,1,0,0|1,0,1]=3 1363 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,0,0,1,0,0|1,0,1]=3 1364 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,0,0,1,0,0|1,0,1]=3 1365 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,0,0,1,0,0|1,0,1]=3 1366 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,0,0,1,0,0|1,0,1]=3 1367 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [0,0,0,1,0,0|1,0,2]=4 1368 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [0,0,0,1,0,0|1,0,2]=4 1369 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [0,0,0,1,0,0|1,0,2]=4 1370 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [0,0,0,1,0,0|1,0,2]=4 1371 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [0,0,0,1,0,0|1,0,2]=4 1372 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [0,0,0,1,0,0|1,0,2]=4 1373 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [0,0,0,1,0,0|1,0,2]=4 1374 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [0,0,0,1,0,0|1,0,2]=4 1375 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [0,0,0,1,0,0|1,0,2]=4 1376 B3R0.1 Br/C=C/Br MCULE-6284547614 [2,0,0,0,0,0|2,0,0]=4 1377 B3R0.1 BrC=CBr MCULE-4478409345 [2,0,0,0,0,0|2,0,0]=4 1378 B3R0.1 C#CC=O MCULE-4187736819 [2,0,0,0,0,0|0,0,2]=4 1379 B3R0.1 C/B=N/O MCULE-5227399299 [2,0,0,0,0,0|2,0,0]=4 1380 B3R0.1 C/C=C/Br MCULE-4076369660 [2,0,0,0,0,0|1,0,0]=3 1381 B3R0.1 C/C=N/O MCULE-2376410404 [2,0,0,0,0,0|1,0,0]=3 1382 B3R0.1 C=CC#N MCULE-8176403366 [2,0,0,0,0,0|1,0,1]=4 1383 B3R0.1 C=CC=C MCULE-4134157329 [2,0,0,0,0,0|0,0,1]=3 1384 B3R0.1 C=CC=O MCULE-2104890669 [2,0,0,0,0,0|0,0,0]=2 1385 B3R0.1 C=CCBr MCULE-9486454833 [2,0,0,0,0,0|1,0,1]=4 1386 B3R0.1 C=CCC MCULE-8167907130 [2,0,0,0,0,0|0,0,1]=3 1387 B3R0.1 C=CCCl MCULE-4067772785 [2,0,0,0,0,0|1,0,1]=4 1388 B3R0.1 C=CCF MCULE-7783191980 [2,0,0,0,0,0|1,0,1]=4 1389 B3R0.1 C=CCI MCULE-5037698873 [2,0,0,0,0,0|1,0,1]=4 1390 B3R0.1 C=CCN MCULE-2424616806 [2,0,0,0,0,0|1,0,1]=4 1391 B3R0.1 C=CCN MCULE-2473480946 [2,0,0,0,0,0|1,0,1]=4 1392 B3R0.1 C=CCO MCULE-2145308838 [2,0,0,0,0,0|0,0,1]=3 1393 B3R0.1 C=CCS MCULE-7270484838 [2,0,0,0,0,0|0,1,1]=4 1394 B3R0.1 C=COC MCULE-4880746684 [2,0,0,0,0,0|1,0,0]=3 1395 B3R0.1 CC=CBr MCULE-2098755460 [2,0,0,0,0,0|1,0,0]=3 1396 B3R0.1 CC=CCl MCULE-9225887510 [2,0,0,0,0,0|1,0,0]=3 1397 B3R0.1 CC=NO MCULE-9761317381 [2,0,0,0,0,0|1,0,0]=3 1398 B3R0.1 CCC=O MCULE-4079744837 [2,0,0,0,0,0|0,0,1]=3 1399 B3R0.1 CCCO MCULE-6252105126 [2,0,0,0,0,0|0,0,2]=4 1400 B3R0.1 CCNO MCULE-1215586669 [2,0,0,0,0,0|1,0,1]=4 1401 B3R0.1 CCNO MCULE-7075818857 [2,0,0,0,0,0|1,0,1]=4 1402 B3R0.1 CN=C=O MCULE-7764606582 [2,0,0,0,0,0|1,0,1]=4 1403 B3R0.1 CNC=O MCULE-4739122677 [2,0,0,0,0,0|1,0,0]=3 1404 B3R0.1 CNC=S MCULE-1018523469 [2,0,0,0,0,0|1,1,0]=4 1405 B3R0.1 COC=O MCULE-9122749354 [2,0,0,0,0,0|1,0,0]=3 1406 B3R0.1 Cl/C=C/Cl MCULE-8326307647 [2,0,0,0,0,0|2,0,0]=4 1407 B3R0.1 Cl/C=C\Cl MCULE-8638364223 [2,0,0,0,0,0|2,0,0]=4 1408 B3R0.1 ClC=CCl MCULE-1709740532 [2,0,0,0,0,0|2,0,0]=4 1409 B3R0.1 F/C=C/Cl MCULE-6748930384 [2,0,0,0,0,0|2,0,0]=4 1410 B3R0.1 FC=CBr MCULE-3730796032 [2,0,0,0,0,0|2,0,0]=4 1411 B3R0.1 FC=CCl MCULE-8668714110 [2,0,0,0,0,0|2,0,0]=4 1412 B3R0.1 FC=CF MCULE-1668825245 [2,0,0,0,0,0|2,0,0]=4 1413 B3R0.1 N/C=N/O MCULE-9567664507 [2,0,0,0,0,0|2,0,0]=4 1414 B3R0.1 NNC=O MCULE-6986968107 [2,0,0,0,0,0|2,0,0]=4 1415 B3R0.1 NOC=O MCULE-4489199776 [2,0,0,0,0,0|2,0,0]=4 1416 B3R0.1 O=CC=O MCULE-3212938778 [2,0,0,0,0,0|1,0,0]=3 1417 B3R0.1 O=CCBr MCULE-9076011270 [2,0,0,0,0,0|1,0,1]=4 1418 B3R0.1 O=CCCl MCULE-7307216184 [2,0,0,0,0,0|1,0,1]=4 1419 B3R0.1 O=CCI MCULE-1146810366 [2,0,0,0,0,0|1,0,1]=4 1420 B3R0.2 C=C(C)Br MCULE-7805530064 [2,0,0,0,0,0|2,0,0]=4 1421 B3R0.2 C=C(C)C MCULE-5640095130 [2,0,0,0,0,0|2,0,0]=4 1422 B3R0.2 C=C(C)Cl MCULE-1752401095 [2,0,0,0,0,0|2,0,0]=4 1423 B3R0.2 C=C(C)F MCULE-3213198231 [2,0,0,0,0,0|2,0,0]=4 1424 B3R0.2 C=C(Cl)Cl MCULE-1430323756 [2,0,0,0,0,0|2,0,0]=4 1425 B3R0.2 C=C(F)Cl MCULE-8528897253 [2,0,0,0,0,0|2,0,0]=4 1426 B3R0.2 C=C(F)F MCULE-2471767745 [2,0,0,0,0,0|2,0,0]=4 1427 B3R0.2 CB(O)O MCULE-3510763826 [2,0,0,0,0,0|1,0,1]=4 1428 B3R0.2 CC(=N)N MCULE-3235425606 [2,0,0,0,0,0|2,0,0]=4 1429 B3R0.2 CC(=N)N MCULE-3546679379 [2,0,0,0,0,0|2,0,0]=4 1430 B3R0.2 CC(=N)N MCULE-3597638887 [2,0,0,0,0,0|2,0,0]=4 1431 B3R0.2 CC(=N)N MCULE-9831274654 [2,0,0,0,0,0|2,0,0]=4 1432 B3R0.2 CC(=O)Br MCULE-4892265063 [2,0,0,0,0,0|1,0,0]=3 1433 B3R0.2 CC(=O)C MCULE-6679625040 [2,0,0,0,0,0|1,0,0]=3 1434 B3R0.2 CC(=O)Cl MCULE-9041746362 [2,0,0,0,0,0|1,0,0]=3 1435 B3R0.2 CC(=O)I MCULE-4812718701 [2,0,0,0,0,0|1,0,0]=3 1436 B3R0.2 CC(=O)N MCULE-9280264861 [2,0,0,0,0,0|1,0,0]=3 1437 B3R0.2 CC(=O)O MCULE-1502330578 [2,0,0,0,0,0|0,0,0]=2 1438 B3R0.2 CC(=O)O MCULE-5514028500 [2,0,0,0,0,0|0,0,0]=2 1439 B3R0.2 CC(=O)O MCULE-5942589566 [2,0,0,0,0,0|0,0,0]=2 1440 B3R0.2 CC(=O)O MCULE-6780070129 [2,0,0,0,0,0|0,0,0]=2 1441 B3R0.2 CC(=O)O MCULE-8295936189 [2,0,0,0,0,0|0,0,0]=2 1442 B3R0.2 CC(=O)O MCULE-9103972283 [2,0,0,0,0,0|0,0,0]=2 1443 B3R0.2 CC(=O)O MCULE-9900518424 [2,0,0,0,0,0|0,0,0]=2 1444 B3R0.2 CC(=O)S MCULE-5769447035 [2,0,0,0,0,0|0,1,0]=3 1445 B3R0.2 CC(=O)[O-] MCULE-2314460022 [2,0,0,0,0,0|0,0,1]=3 1446 B3R0.2 CC(=O)[O-] MCULE-2960771771 [2,0,0,0,0,0|0,0,1]=3 1447 B3R0.2 CC(=O)[O-] MCULE-5334052410 [2,0,0,0,0,0|0,0,1]=3 1448 B3R0.2 CC(=O)[O-] MCULE-5482908386 [2,0,0,0,0,0|0,0,1]=3 1449 B3R0.2 CC(=O)[O-] MCULE-9723570182 [2,0,0,0,0,0|0,0,1]=3 1450 B3R0.2 CC(=O)[O-] MCULE-9910426896 [2,0,0,0,0,0|0,0,1]=3 1451 B3R0.2 CC(=S)N MCULE-4635097605 [2,0,0,0,0,0|1,1,0]=4 1452 B3R0.2 CC(=S)[O-] MCULE-1878530758 [2,0,0,0,0,0|0,1,1]=4 1453 B3R0.2 CC(C)O MCULE-6646752234 [2,0,0,0,0,0|1,0,1]=4 1454 B3R0.2 CN(=O)=O MCULE-8704524604 [2,0,0,0,0,0|1,0,1]=4 1455 B3R0.2 CN(C)O MCULE-6572915706 [2,0,0,0,0,0|2,0,0]=4 1456 B3R0.2 CN(C)O MCULE-6950647562 [2,0,0,0,0,0|2,0,0]=4 1457 B3R0.2 CP(=O)C MCULE-6150886622 [2,0,0,0,0,0|2,0,0]=4 1458 B3R0.2 CS(=O)C MCULE-2005841258 [2,0,0,0,0,0|2,0,0]=4 1459 B3R0.2 CS(=O)Cl MCULE-1292201352 [2,0,0,0,0,0|2,0,0]=4 1460 B3R0.2 CS(=O)N MCULE-5162949591 [2,0,0,0,0,0|2,0,0]=4 1461 B3R0.2 CS(=O)O MCULE-8711306710 [2,0,0,0,0,0|1,0,0]=3 1462 B3R0.2 CS(=O)[O-] MCULE-1437194827 [2,0,0,0,0,0|1,0,1]=4 1463 B3R0.2 C[Se](=O)C MCULE-4596040471 [2,0,0,0,0,0|2,0,0]=4 1464 B3R0.2 C[Se](=O)O MCULE-5568767851 [2,0,0,0,0,0|1,0,0]=3 1465 B3R0.2 NC(=O)N MCULE-3224868954 [2,0,0,0,0,0|2,0,0]=4 1466 B3R0.2 NC(=O)N MCULE-8513891094 [2,0,0,0,0,0|2,0,0]=4 1467 B3R0.2 NC(=O)O MCULE-1579038047 [2,0,0,0,0,0|1,0,0]=3 1468 B3R0.2 NC(=O)O MCULE-3232812015 [2,0,0,0,0,0|1,0,0]=3 1469 B3R0.2 O=C(Cl)[Au] MCULE-6601882022 [2,0,0,0,0,0|2,0,0]=4 1470 B3R0.2 O=C(O)O MCULE-3743781291 [2,0,0,0,0,0|1,0,0]=3 1471 B3R0.2 O=C(O)O MCULE-6373078171 [2,0,0,0,0,0|1,0,0]=3 1472 B3R0.2 O=C([O-])O MCULE-5529655359 [2,0,0,0,0,0|1,0,0]=3 1473 B3R0.2 O=C([O-])O MCULE-7293729150 [2,0,0,0,0,0|1,0,0]=3 1474 B3R0.2 O=C([O-])[O-] MCULE-1092668330 [2,0,0,0,0,0|1,0,1]=4 1475 B3R0.2 O=C([O-])[O-] MCULE-1095103800 [2,0,0,0,0,0|1,0,1]=4 1476 B3R0.2 O=C([O-])[O-] MCULE-1597066471 [2,0,0,0,0,0|1,0,1]=4 1477 B3R0.2 O=C([O-])[O-] MCULE-2005483457 [2,0,0,0,0,0|1,0,1]=4 1478 B3R0.2 O=C([O-])[O-] MCULE-3299525070 [2,0,0,0,0,0|1,0,1]=4 1479 B3R0.2 O=C([O-])[O-] MCULE-4074516840 [2,0,0,0,0,0|1,0,1]=4 1480 B3R0.2 O=C([O-])[O-] MCULE-4180727513 [2,0,0,0,0,0|1,0,1]=4 1481 B3R0.2 O=C([O-])[O-] MCULE-4294265087 [2,0,0,0,0,0|1,0,1]=4 1482 B3R0.2 O=C([O-])[O-] MCULE-5127021441 [2,0,0,0,0,0|1,0,1]=4 1483 B3R0.2 O=C([O-])[O-] MCULE-5345790821 [2,0,0,0,0,0|1,0,1]=4 1484 B3R0.2 O=C([O-])[O-] MCULE-6214917073 [2,0,0,0,0,0|1,0,1]=4 1485 B3R0.2 O=C([O-])[O-] MCULE-6757968396 [2,0,0,0,0,0|1,0,1]=4 1486 B3R0.2 O=C([O-])[O-] MCULE-7714638074 [2,0,0,0,0,0|1,0,1]=4 1487 B3R0.2 O=C([O-])[O-] MCULE-8731559807 [2,0,0,0,0,0|1,0,1]=4 1488 B3R0.2 O=I(=O)O MCULE-6335954469 [2,0,0,0,0,0|2,0,0]=4 1489 B3R0.2 O=I(=O)O MCULE-7906123102 [2,0,0,0,0,0|2,0,0]=4 1490 B3R0.2 O=N(=O)O MCULE-5926867268 [2,0,0,0,0,0|2,0,0]=4 1491 B3R0.2 O=N(=O)O MCULE-8501453871 [2,0,0,0,0,0|2,0,0]=4 1492 B3R0.2 O=P(=O)O MCULE-3007887617 [2,0,0,0,0,0|2,0,0]=4 1493 B3R0.2 O=P(O)O MCULE-8889145943 [2,0,0,0,0,0|2,0,0]=4 1494 B3R0.2 O=P([O-])O MCULE-3773885400 [2,0,0,0,0,0|2,0,0]=4 1495 B3R0.2 O=P([O-])O MCULE-6745348516 [2,0,0,0,0,0|2,0,0]=4 1496 B3R0.2 O=S(=O)O MCULE-7070708516 [2,0,0,0,0,0|2,0,0]=4 1497 B3R0.2 O=S(O)O MCULE-3188569799 [2,0,0,0,0,0|2,0,0]=4 1498 B3R0.2 O=S(O)O MCULE-7812738469 [2,0,0,0,0,0|2,0,0]=4 1499 B3R0.2 O=[Se](O)O MCULE-9081277469 [2,0,0,0,0,0|2,0,0]=4 1500 B3R0.2 O=[Si](O)O MCULE-3228936275 [2,0,0,0,0,0|1,1,0]=4 1501 B5R0.3 C#CC(=O)CC MCULE-1563732373 [1,1,0,0,0,0|1,0,1]=4 1502 B5R0.3 C#CC(=O)NC MCULE-8852565705 [1,1,0,0,0,0|2,0,0]=4 1503 B5R0.3 C#CC(=O)OC MCULE-5108326717 [1,1,0,0,0,0|0,0,2]=4 1504 B5R0.3 C#CC(O)C=C MCULE-5849420618 [1,1,0,0,0,0|1,0,1]=4 1505 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [1,1,0,0,0,0|2,0,0]=4 1506 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [1,1,0,0,0,0|2,0,0]=4 1507 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [1,1,0,0,0,0|1,0,0]=3 1508 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [1,1,0,0,0,0|2,0,0]=4 1509 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,1,0,0,0,0|1,0,1]=4 1510 B5R0.3 C=C(CC)CO MCULE-8127766352 [1,1,0,0,0,0|1,0,1]=4 1511 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [1,1,0,0,0,0|2,0,0]=4 1512 B5R0.3 C=CC(=CC)C MCULE-8585683674 [1,1,0,0,0,0|2,0,0]=4 1513 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [1,1,0,0,0,0|1,0,0]=3 1514 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,1,0,0,0,0|1,0,0]=3 1515 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,1,0,0,0,0|1,0,0]=3 1516 B5R0.3 C=CC(=O)NN MCULE-4327484127 [1,1,0,0,0,0|1,0,0]=3 1517 B5R0.3 C=CC(=O)NN MCULE-4961696321 [1,1,0,0,0,0|1,0,0]=3 1518 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,1,0,0,0,0|0,0,0]=2 1519 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,1,0,0,0,0|0,0,0]=2 1520 B5R0.3 C=CC(C)ON MCULE-2385478473 [1,1,0,0,0,0|1,0,1]=4 1521 B5R0.3 C=CC(C)ON MCULE-3428023923 [1,1,0,0,0,0|1,0,1]=4 1522 B5R0.3 C=CC(N)CO MCULE-2457433196 [1,1,0,0,0,0|1,0,1]=4 1523 B5R0.3 C=CC(N)CO MCULE-6697949182 [1,1,0,0,0,0|1,0,1]=4 1524 B5R0.3 C=CC(N)CO MCULE-7137123222 [1,1,0,0,0,0|1,0,1]=4 1525 B5R0.3 C=CC(N)CO MCULE-8388687355 [1,1,0,0,0,0|1,0,1]=4 1526 B5R0.3 C=CC(O)C#N MCULE-2341615846 [1,1,0,0,0,0|1,0,1]=4 1527 B5R0.3 C=CC(O)C=C MCULE-7283842025 [1,1,0,0,0,0|1,0,1]=4 1528 B5R0.3 C=CC(O)CBr MCULE-3538023814 [1,1,0,0,0,0|1,0,1]=4 1529 B5R0.3 C=CC(O)CC MCULE-2794806228 [1,1,0,0,0,0|1,0,1]=4 1530 B5R0.3 C=CC(O)CN MCULE-3472823475 [1,1,0,0,0,0|1,0,1]=4 1531 B5R0.3 C=CC(O)CO MCULE-6172654550 [1,1,0,0,0,0|0,0,2]=4 1532 B5R0.3 C=CS(=O)C=C MCULE-5650907653 [1,1,0,0,0,0|2,0,0]=4 1533 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [1,1,0,0,0,0|1,0,1]=4 1534 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [1,1,0,0,0,0|1,0,1]=4 1535 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [1,1,0,0,0,0|1,0,1]=4 1536 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [1,1,0,0,0,0|1,0,1]=4 1537 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [1,1,0,0,0,0|0,0,2]=4 1538 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [1,1,0,0,0,0|1,0,1]=4 1539 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [1,1,0,0,0,0|1,0,1]=4 1540 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [1,1,0,0,0,0|1,0,1]=4 1541 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [1,1,0,0,0,0|1,0,1]=4 1542 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [1,1,0,0,0,0|0,0,2]=4 1543 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [1,1,0,0,0,0|0,0,2]=4 1544 B5R0.3 CC(=CI)CO MCULE-8491569199 [1,1,0,0,0,0|2,0,0]=4 1545 B5R0.3 CC(=CN)C=O MCULE-5507488903 [1,1,0,0,0,0|2,0,0]=4 1546 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [1,1,0,0,0,0|1,0,1]=4 1547 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [1,1,0,0,0,0|1,0,1]=4 1548 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [1,1,0,0,0,0|1,0,1]=4 1549 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [1,1,0,0,0,0|1,0,0]=3 1550 B5R0.3 CC=C(C)C#N MCULE-4009455127 [1,1,0,0,0,0|2,0,0]=4 1551 B5R0.3 CC=C(C)C=O MCULE-9453566957 [1,1,0,0,0,0|1,0,0]=3 1552 B5R0.3 CC=C(C)CC MCULE-5790494157 [1,1,0,0,0,0|2,0,0]=4 1553 B5R0.3 CC=C(C)CCl MCULE-2444762050 [1,1,0,0,0,0|2,0,0]=4 1554 B5R0.3 CCC(=N)OC MCULE-4123543795 [1,1,0,0,0,0|1,0,1]=4 1555 B5R0.3 CCC(=N)OC MCULE-5346320805 [1,1,0,0,0,0|1,0,1]=4 1556 B5R0.3 CCC(=NO)C MCULE-1859652505 [1,1,0,0,0,0|1,0,1]=4 1557 B5R0.3 CCC(=O)CBr MCULE-7825573294 [1,1,0,0,0,0|1,0,1]=4 1558 B5R0.3 CCC(=O)CC MCULE-8236549739 [1,1,0,0,0,0|1,0,1]=4 1559 B5R0.3 CCC(=O)CCl MCULE-9019890380 [1,1,0,0,0,0|1,0,1]=4 1560 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,1,0,0,0,0|1,0,1]=4 1561 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,1,0,0,0,0|1,0,1]=4 1562 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,1,0,0,0,0|0,0,1]=3 1563 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,1,0,0,0,0|1,0,1]=4 1564 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,1,0,0,0,0|1,0,1]=4 1565 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,1,0,0,0,0|0,0,1]=3 1566 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,1,0,0,0,0|0,0,1]=3 1567 B5R0.3 CCC(=O)SC MCULE-9712192191 [1,1,0,0,0,0|0,1,1]=4 1568 B5R0.3 CNC(=N)CO MCULE-3239749882 [1,1,0,0,0,0|2,0,0]=4 1569 B5R0.3 CNC(=O)CBr MCULE-1439209307 [1,1,0,0,0,0|2,0,0]=4 1570 B5R0.3 CNC(=O)CCl MCULE-1437904095 [1,1,0,0,0,0|2,0,0]=4 1571 B5R0.3 CNC(=O)CI MCULE-1687694185 [1,1,0,0,0,0|2,0,0]=4 1572 B5R0.3 CNC(=O)CN MCULE-1901033297 [1,1,0,0,0,0|2,0,0]=4 1573 B5R0.3 CNC(=O)CN MCULE-8532774234 [1,1,0,0,0,0|2,0,0]=4 1574 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,1,0,0,0,0|1,0,0]=3 1575 B5R0.3 CNC(=O)CS MCULE-7032391129 [1,1,0,0,0,0|1,1,0]=4 1576 B5R0.3 CNC(=O)NC MCULE-5319497155 [1,1,0,0,0,0|2,0,0]=4 1577 B5R0.3 CNC(=O)NN MCULE-2093843774 [1,1,0,0,0,0|2,0,0]=4 1578 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,1,0,0,0,0|1,0,0]=3 1579 B5R0.3 COC(=O)C#N MCULE-8762838190 [1,1,0,0,0,0|1,0,1]=4 1580 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,1,0,0,0,0|1,0,0]=3 1581 B5R0.3 COC(=O)CBr MCULE-2684954408 [1,1,0,0,0,0|1,0,1]=4 1582 B5R0.3 COC(=O)CCl MCULE-5886832940 [1,1,0,0,0,0|1,0,1]=4 1583 B5R0.3 COC(=O)CF MCULE-4367430175 [1,1,0,0,0,0|1,0,1]=4 1584 B5R0.3 COC(=O)CI MCULE-9545584156 [1,1,0,0,0,0|1,0,1]=4 1585 B5R0.3 COC(=O)CN MCULE-7462799100 [1,1,0,0,0,0|1,0,1]=4 1586 B5R0.3 COC(=O)CN MCULE-8887061469 [1,1,0,0,0,0|1,0,1]=4 1587 B5R0.3 COC(=O)CO MCULE-8734582763 [1,1,0,0,0,0|1,0,0]=3 1588 B5R0.3 COC(=O)CS MCULE-3020830180 [1,1,0,0,0,0|1,0,1]=4 1589 B5R0.3 COC(=O)NN MCULE-2637794839 [1,1,0,0,0,0|2,0,0]=4 1590 B5R0.3 COC(=O)OC MCULE-7488725621 [1,1,0,0,0,0|1,0,0]=3 1591 B5R0.3 COC(=O)SCl MCULE-1018411491 [1,1,0,0,0,0|1,1,0]=4 1592 B5R0.3 COC(=S)SC MCULE-7665194168 [1,1,0,0,0,0|1,1,0]=4 1593 B5R0.3 COS(=O)OC MCULE-9352053920 [1,1,0,0,0,0|2,0,0]=4 1594 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [1,1,0,0,0,0|2,0,0]=4 1595 B5R0.3 CSC(=NO)C MCULE-1500524467 [1,1,0,0,0,0|2,0,0]=4 1596 B5R0.3 CSC(=O)SC MCULE-7167992573 [1,1,0,0,0,0|1,1,0]=4 1597 B5R0.3 NCC(=O)NO MCULE-5417617455 [1,1,0,0,0,0|1,0,1]=4 1598 B5R0.3 NNC(=O)CO MCULE-8443636349 [1,1,0,0,0,0|2,0,0]=4 1599 B5R0.3 NNC(=O)NO MCULE-7106168898 [1,1,0,0,0,0|2,0,0]=4 1600 B5R0.3 O=C(CO)CO MCULE-7188810449 [1,1,0,0,0,0|1,0,1]=4 1601 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [1,1,0,0,0,0|2,0,0]=4 1602 B5R0.3 O=CC(=C[O-])F MCULE-8068241665 [1,1,0,0,0,0|2,0,0]=4 1603 B5R0.3 O=CC(=C[O-])F MCULE-9099292239 [1,1,0,0,0,0|2,0,0]=4 1604 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,1,0,0,0,0|1,0,0]=3 1605 B5R0.3 P(=O)(OC)OC MCULE-7918891029 [1,1,0,0,0,0|2,0,0]=4 1606 B5R0.4 C=CC(C)(C)O MCULE-5809739830 [1,1,0,0,0,0|1,0,1]=4 1607 B5R0.4 C=CP(=O)(O)O MCULE-3783505051 [1,1,0,0,0,0|1,0,0]=3 1608 B5R0.4 C=CS(=O)(=O)C MCULE-9709633620 [1,1,0,0,0,0|1,0,1]=4 1609 B5R0.4 C=CS(=O)(=O)Cl MCULE-9752322572 [1,1,0,0,0,0|1,0,1]=4 1610 B5R0.4 C=CS(=O)(=O)F MCULE-6614982622 [1,1,0,0,0,0|1,0,1]=4 1611 B5R0.4 C=CS(=O)(=O)N MCULE-7350624756 [1,1,0,0,0,0|1,0,1]=4 1612 B5R0.4 C=CS(=O)(=O)O MCULE-2196938026 [1,1,0,0,0,0|1,0,0]=3 1613 B5R0.4 C=CS(=O)(=O)[O-] MCULE-8568044801 [1,1,0,0,0,0|1,0,1]=4 1614 B5R0.4 CCP(=O)(O)O MCULE-5185791919 [1,1,0,0,0,0|1,0,1]=4 1615 B5R0.4 CCS(=O)(=O)O MCULE-4408374633 [1,1,0,0,0,0|1,0,1]=4 1616 B5R0.4 CCS(=O)(=S)O MCULE-3229359913 [1,1,0,0,0,0|1,0,1]=4 1617 B5R0.4 CNS(=O)(=O)O MCULE-7257326709 [1,1,0,0,0,0|2,0,0]=4 1618 B5R0.4 COP(=O)(O)O MCULE-8832075019 [1,1,0,0,0,0|2,0,0]=4 1619 B5R0.4 COS(=O)(=O)O MCULE-7245694496 [1,1,0,0,0,0|2,0,0]=4 1620 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [1,1,0,0,0,0|0,0,0]=2 1621 B5R0.5 C=C(C)B(O)O MCULE-1381151629 [1,1,0,0,0,0|1,0,1]=4 1622 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [1,1,0,0,0,0|2,0,0]=4 1623 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [1,1,0,0,0,0|1,0,0]=3 1624 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [1,1,0,0,0,0|1,0,0]=3 1625 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [1,1,0,0,0,0|1,0,0]=3 1626 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,1,0,0,0,0|0,0,0]=2 1627 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [1,1,0,0,0,0|0,0,1]=3 1628 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [1,1,0,0,0,0|0,0,1]=3 1629 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [1,1,0,0,0,0|0,0,1]=3 1630 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [1,1,0,0,0,0|1,0,1]=4 1631 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [1,1,0,0,0,0|0,0,0]=2 1632 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [1,1,0,0,0,0|1,0,0]=3 1633 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [1,1,0,0,0,0|0,0,0]=2 1634 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [1,1,0,0,0,0|0,0,1]=3 1635 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [1,1,0,0,0,0|2,0,0]=4 1636 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [1,1,0,0,0,0|2,0,0]=4 1637 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [1,1,0,0,0,0|1,0,0]=3 1638 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [1,1,0,0,0,0|1,0,0]=3 1639 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [1,1,0,0,0,0|1,0,0]=3 1640 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,1,0,0,0,0|0,0,0]=2 1641 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [1,1,0,0,0,0|0,0,1]=3 1642 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [1,1,0,0,0,0|0,0,1]=3 1643 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [1,1,0,0,0,0|0,0,1]=3 1644 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [1,1,0,0,0,0|1,1,0]=4 1645 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,1,0,0,0,0|1,0,1]=4 1646 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,1,0,0,0,0|1,0,1]=4 1647 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,1,0,0,0,0|1,0,1]=4 1648 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,1,0,0,0,0|1,0,1]=4 1649 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,1,0,0,0,0|1,0,1]=4 1650 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,1,0,0,0,0|1,0,1]=4 1651 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,1,0,0,0,0|1,0,1]=4 1652 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,1,0,0,0,0|1,0,1]=4 1653 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [1,1,0,0,0,0|2,0,0]=4 1654 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [1,1,0,0,0,0|2,0,0]=4 1655 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,1,0,0,0,0|1,0,1]=4 1656 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,1,0,0,0,0|1,0,1]=4 1657 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,1,0,0,0,0|1,0,1]=4 1658 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,1,0,0,0,0|1,0,1]=4 1659 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,1,0,0,0,0|1,0,1]=4 1660 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,1,0,0,0,0|1,0,1]=4 1661 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,1,0,0,0,0|1,0,1]=4 1662 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,1,0,0,0,0|0,0,1]=3 1663 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,1,0,0,0,0|0,0,1]=3 1664 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,1,0,0,0,0|1,0,1]=4 1665 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,1,0,0,0,0|1,0,1]=4 1666 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,1,0,0,0,0|1,0,1]=4 1667 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,1,0,0,0,0|0,0,1]=3 1668 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,1,0,0,0,0|0,1,1]=4 1669 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [1,1,0,0,0,0|1,0,1]=4 1670 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,1,0,0,0,0|1,0,1]=4 1671 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,1,0,0,0,0|1,0,1]=4 1672 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,1,0,0,0,0|0,0,1]=3 1673 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,1,0,0,0,0|0,0,1]=3 1674 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,1,0,0,0,0|0,0,1]=3 1675 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,1,0,0,0,0|1,0,1]=4 1676 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,1,0,0,0,0|1,0,1]=4 1677 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,1,0,0,0,0|1,0,1]=4 1678 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,1,0,0,0,0|1,0,1]=4 1679 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,1,0,0,0,0|1,0,1]=4 1680 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,1,0,0,0,0|1,0,1]=4 1681 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,1,0,0,0,0|1,0,1]=4 1682 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,1,0,0,0,0|0,0,1]=3 1683 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,1,0,0,0,0|0,0,1]=3 1684 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,1,0,0,0,0|0,0,1]=3 1685 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,1,0,0,0,0|0,0,1]=3 1686 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,1,0,0,0,0|1,0,1]=4 1687 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,1,0,0,0,0|1,0,1]=4 1688 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,1,0,0,0,0|0,0,1]=3 1689 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,1,0,0,0,0|0,0,1]=3 1690 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,1,0,0,0,0|0,0,2]=4 1691 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,1,0,0,0,0|0,0,2]=4 1692 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,1,0,0,0,0|0,0,2]=4 1693 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,1,0,0,0,0|1,0,1]=4 1694 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,1,0,0,0,0|0,0,1]=3 1695 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [1,1,0,0,0,0|2,0,0]=4 1696 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,1,0,0,0,0|2,0,0]=4 1697 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,1,0,0,0,0|1,0,0]=3 1698 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [1,1,0,0,0,0|1,0,1]=4 1699 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,1,0,0,0,0|2,0,0]=4 1700 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,1,0,0,0,0|0,0,1]=3 1701 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,1,0,0,0,0|0,0,1]=3 1702 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,1,0,0,0,0|1,0,1]=4 1703 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,1,0,0,0,0|0,0,1]=3 1704 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,1,0,0,0,0|0,0,1]=3 1705 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,1,0,0,0,0|1,0,1]=4 1706 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,1,0,0,0,0|1,0,1]=4 1707 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,1,0,0,0,0|1,0,1]=4 1708 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,1,0,0,0,0|1,0,1]=4 1709 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,1,0,0,0,0|1,0,1]=4 1710 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,1,0,0,0,0|0,0,1]=3 1711 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,1,0,0,0,0|0,0,1]=3 1712 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,1,0,0,0,0|1,0,1]=4 1713 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,1,0,0,0,0|1,0,1]=4 1714 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,1,0,0,0,0|0,0,1]=3 1715 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,1,0,0,0,0|0,0,1]=3 1716 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,1,0,0,0,0|0,0,2]=4 1717 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,1,0,0,0,0|0,0,2]=4 1718 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,1,0,0,0,0|0,0,2]=4 1719 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,1,0,0,0,0|1,0,1]=4 1720 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,1,0,0,0,0|0,0,1]=3 1721 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,1,0,0,0,0|0,0,1]=3 1722 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,1,0,0,0,0|0,0,1]=3 1723 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,1,0,0,0,0|0,0,1]=3 1724 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,1,0,0,0,0|1,0,1]=4 1725 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,1,0,0,0,0|1,0,1]=4 1726 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,1,0,0,0,0|1,0,1]=4 1727 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,1,0,0,0,0|1,0,1]=4 1728 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,1,0,0,0,0|1,0,1]=4 1729 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,1,0,0,0,0|1,0,1]=4 1730 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,1,0,0,0,0|1,0,1]=4 1731 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,1,0,0,0,0|1,0,1]=4 1732 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,1,0,0,0,0|1,0,1]=4 1733 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,1,0,0,0,0|0,0,1]=3 1734 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,1,0,0,0,0|0,0,1]=3 1735 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,1,0,0,0,0|0,0,1]=3 1736 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,1,0,0,0,0|0,0,1]=3 1737 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,1,0,0,0,0|1,0,1]=4 1738 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,1,0,0,0,0|0,0,1]=3 1739 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,1,0,0,0,0|0,0,1]=3 1740 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,1,0,0,0,0|0,0,2]=4 1741 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,1,0,0,0,0|0,0,2]=4 1742 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,1,0,0,0,0|0,0,2]=4 1743 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,1,0,0,0,0|0,0,2]=4 1744 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,1,0,0,0,0|0,0,2]=4 1745 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [1,1,0,0,0,0|2,0,0]=4 1746 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [1,1,0,0,0,0|2,0,0]=4 1747 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [1,1,0,0,0,0|1,0,0]=3 1748 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [1,1,0,0,0,0|1,0,1]=4 1749 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [1,1,0,0,0,0|1,0,1]=4 1750 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,1,0,0,0,0|1,0,1]=4 1751 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [1,1,0,0,0,0|2,0,0]=4 1752 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [1,1,0,0,0,0|2,0,0]=4 1753 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [1,1,0,0,0,0|1,0,0]=3 1754 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [1,1,0,0,0,0|1,0,0]=3 1755 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [1,1,0,0,0,0|1,0,0]=3 1756 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [1,1,0,0,0,0|1,0,0]=3 1757 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [1,1,0,0,0,0|1,0,0]=3 1758 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [1,1,0,0,0,0|1,0,0]=3 1759 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [1,1,0,0,0,0|1,0,0]=3 1760 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [1,1,0,0,0,0|1,0,0]=3 1761 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [1,1,0,0,0,0|1,0,0]=3 1762 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [1,1,0,0,0,0|1,0,0]=3 1763 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [1,1,0,0,0,0|1,0,0]=3 1764 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [1,1,0,0,0,0|1,0,1]=4 1765 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [1,1,0,0,0,0|1,0,1]=4 1766 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [1,1,0,0,0,0|1,0,1]=4 1767 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [1,1,0,0,0,0|1,0,1]=4 1768 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [1,1,0,0,0,0|1,0,1]=4 1769 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [1,1,0,0,0,0|1,0,1]=4 1770 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [1,1,0,0,0,0|1,0,1]=4 1771 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,1,0,0,0,0|1,0,1]=4 1772 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [1,1,0,0,0,0|1,0,1]=4 1773 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [1,1,0,0,0,0|1,0,1]=4 1774 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [1,1,0,0,0,0|1,0,1]=4 1775 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [1,1,0,0,0,0|1,0,1]=4 1776 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [1,1,0,0,0,0|1,0,1]=4 1777 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [1,1,0,0,0,0|1,0,1]=4 1778 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [1,1,0,0,0,0|1,0,1]=4 1779 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [1,1,0,0,0,0|1,0,1]=4 1780 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [1,1,0,0,0,0|1,0,1]=4 1781 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [1,1,0,0,0,0|1,0,1]=4 1782 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,1,0,0,0,0|1,0,1]=4 1783 B5R0.2 BrC/C=C/CBr MCULE-9004545331 [1,1,0,0,0,0|1,0,1]=4 1784 B5R0.2 BrCC=CCBr MCULE-4240565660 [1,1,0,0,0,0|1,0,1]=4 1785 B5R0.2 C(=CCCl)CN MCULE-8092426171 [1,1,0,0,0,0|1,0,1]=4 1786 B5R0.2 C(=CCCl)CN MCULE-9706120646 [1,1,0,0,0,0|1,0,1]=4 1787 B5R0.2 C(=C\CCl)\CN MCULE-3474871402 [1,1,0,0,0,0|1,0,1]=4 1788 B5R0.2 C/C=C/C=C/C MCULE-9400628806 [1,1,0,0,0,0|1,0,0]=3 1789 B5R0.2 C/C=C/CC#N MCULE-3707973146 [1,1,0,0,0,0|1,0,1]=4 1790 B5R0.2 C/C=C/CCC MCULE-9851656818 [1,1,0,0,0,0|1,0,1]=4 1791 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,1,0,0,0,0|0,0,1]=3 1792 B5R0.2 C/C=C/OCC MCULE-2891896400 [1,1,0,0,0,0|1,0,1]=4 1793 B5R0.2 C/C=C\CCC MCULE-1013657748 [1,1,0,0,0,0|1,0,1]=4 1794 B5R0.2 C=C/C=C/C=C MCULE-2938938774 [1,1,0,0,0,0|1,0,1]=4 1795 B5R0.2 C=C/C=C/CC MCULE-5996202716 [1,1,0,0,0,0|1,0,0]=3 1796 B5R0.2 C=CC/C=C/C MCULE-8732875285 [1,1,0,0,0,0|1,0,0]=3 1797 B5R0.2 C=CCC=CC MCULE-8643449832 [1,1,0,0,0,0|1,0,0]=3 1798 B5R0.2 C=CCCC=O MCULE-7850336174 [1,1,0,0,0,0|0,0,2]=4 1799 B5R0.2 C=CCNC=O MCULE-1911798514 [1,1,0,0,0,0|0,0,2]=4 1800 B5R0.2 C=CCOC=O MCULE-4161785970 [1,1,0,0,0,0|0,0,2]=4 1801 B5R0.2 CC#CCC=O MCULE-6071390808 [1,1,0,0,0,0|0,0,2]=4 1802 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,1,0,0,0,0|0,0,0]=2 1803 B5R0.2 CC/C=C/CC MCULE-6762040186 [1,1,0,0,0,0|1,0,1]=4 1804 B5R0.2 CC/C=C\C#N MCULE-2648641382 [1,1,0,0,0,0|1,0,1]=4 1805 B5R0.2 CC/C=C\CC MCULE-9418110460 [1,1,0,0,0,0|1,0,1]=4 1806 B5R0.2 CC/C=C\CO MCULE-5480473249 [1,1,0,0,0,0|0,0,1]=3 1807 B5R0.2 CC=CC=CC MCULE-7702675183 [1,1,0,0,0,0|1,0,0]=3 1808 B5R0.2 CC=CCC#N MCULE-6960681395 [1,1,0,0,0,0|1,0,1]=4 1809 B5R0.2 CC=CCCBr MCULE-7329159278 [1,1,0,0,0,0|1,0,1]=4 1810 B5R0.2 CC=CCCC MCULE-8736231124 [1,1,0,0,0,0|1,0,1]=4 1811 B5R0.2 CC=CCCN MCULE-5129102475 [1,1,0,0,0,0|1,0,1]=4 1812 B5R0.2 CC=CCCN MCULE-8500001929 [1,1,0,0,0,0|1,0,1]=4 1813 B5R0.2 CC=CCCO MCULE-4302367089 [1,1,0,0,0,0|0,0,1]=3 1814 B5R0.2 CC=COCC MCULE-1473170404 [1,1,0,0,0,0|1,0,1]=4 1815 B5R0.2 CC=CSSC MCULE-2442770677 [1,1,0,0,0,0|1,1,0]=4 1816 B5R0.2 CCC#CC=O MCULE-3889262436 [1,1,0,0,0,0|0,0,2]=4 1817 B5R0.2 CCC=CC#N MCULE-1091834842 [1,1,0,0,0,0|1,0,1]=4 1818 B5R0.2 CCC=CC=O MCULE-1318250395 [1,1,0,0,0,0|0,0,0]=2 1819 B5R0.2 CCC=CCBr MCULE-5326763881 [1,1,0,0,0,0|1,0,1]=4 1820 B5R0.2 CCC=CCC MCULE-5435957422 [1,1,0,0,0,0|1,0,1]=4 1821 B5R0.2 CCC=CCO MCULE-5633399984 [1,1,0,0,0,0|0,0,1]=3 1822 B5R0.2 CCCC=NO MCULE-7364375780 [1,1,0,0,0,0|0,0,2]=4 1823 B5R0.2 CCCCC=O MCULE-4736782822 [1,1,0,0,0,0|0,0,2]=4 1824 B5R0.2 CCCNC=O MCULE-6344556391 [1,1,0,0,0,0|0,0,2]=4 1825 B5R0.2 CCCOC=O MCULE-3133604529 [1,1,0,0,0,0|0,0,2]=4 1826 B5R0.2 CCO/C=C\Br MCULE-7396084973 [1,1,0,0,0,0|1,0,1]=4 1827 B5R0.2 CCOC=CBr MCULE-5241125671 [1,1,0,0,0,0|1,0,1]=4 1828 B5R0.2 CCSCC=O MCULE-8069035019 [1,1,0,0,0,0|0,0,2]=4 1829 B5R0.2 COC=CC#N MCULE-4212629233 [1,1,0,0,0,0|1,0,1]=4 1830 B5R0.2 COCCC=O MCULE-2812117208 [1,1,0,0,0,0|0,0,2]=4 1831 B5R0.2 CSCCC=O MCULE-6273241704 [1,1,0,0,0,0|0,0,2]=4 1832 B5R0.2 ClC/C=C/CCl MCULE-3586653669 [1,1,0,0,0,0|1,0,1]=4 1833 B5R0.2 ClC/C=C\CCl MCULE-9193094097 [1,1,0,0,0,0|1,0,1]=4 1834 B5R0.2 ClCC=CCCl MCULE-9190878082 [1,1,0,0,0,0|1,0,1]=4 1835 B5R0.2 N#CC=CCBr MCULE-2538176669 [1,1,0,0,0,0|1,0,1]=4 1836 B5R0.2 NC/C=C/CN MCULE-3194321905 [1,1,0,0,0,0|1,0,1]=4 1837 B5R0.2 NC/C=C/CN MCULE-8357316852 [1,1,0,0,0,0|1,0,1]=4 1838 B5R0.2 NC/C=C\CCl MCULE-7895966955 [1,1,0,0,0,0|1,0,1]=4 1839 B5R0.2 NC/C=C\CN MCULE-6310541400 [1,1,0,0,0,0|1,0,1]=4 1840 B5R0.2 NC/C=C\CN MCULE-8765736519 [1,1,0,0,0,0|1,0,1]=4 1841 B5R0.2 NCC=CCN MCULE-3768809289 [1,1,0,0,0,0|1,0,1]=4 1842 B5R0.2 NCC=CCN MCULE-4004493343 [1,1,0,0,0,0|1,0,1]=4 1843 B5R0.2 NCC=CCN MCULE-6780035248 [1,1,0,0,0,0|1,0,1]=4 1844 B5R0.2 NCC=CCO MCULE-4993379992 [1,1,0,0,0,0|0,0,1]=3 1845 B5R0.2 NOC/C=C/Cl MCULE-3781481075 [1,1,0,0,0,0|1,0,1]=4 1846 B5R0.2 NOC/C=C/Cl MCULE-8874475488 [1,1,0,0,0,0|1,0,1]=4 1847 B5R0.2 NOCC=CCl MCULE-5233830243 [1,1,0,0,0,0|1,0,1]=4 1848 B5R0.2 NOCC=CCl MCULE-7677577759 [1,1,0,0,0,0|1,0,1]=4 1849 B5R0.2 O/N=C/C=N/O MCULE-6032089277 [1,1,0,0,0,0|2,0,0]=4 1850 B5R0.2 O=CCCC=O MCULE-3362810468 [1,1,0,0,0,0|1,0,1]=4 1851 B5R0.2 O=CCCC=O MCULE-3813951568 [1,1,0,0,0,0|1,0,1]=4 1852 B5R0.2 O=CCCCBr MCULE-7239613396 [1,1,0,0,0,0|0,0,2]=4 1853 B5R0.2 O=CCCCCl MCULE-3011225716 [1,1,0,0,0,0|0,0,2]=4 1854 B5R0.2 O=CCCCI MCULE-3153720790 [1,1,0,0,0,0|0,0,2]=4 1855 B5R0.2 O=CCCCO MCULE-8728420992 [1,1,0,0,0,0|0,0,2]=4 1856 B5R0.2 O=CNCCO MCULE-3688614090 [1,1,0,0,0,0|1,0,1]=4 1857 B5R0.2 O=CNNC=O MCULE-7634212643 [1,1,0,0,0,0|2,0,0]=4 1858 B5R0.2 O=COCCO MCULE-1922672843 [1,1,0,0,0,0|1,0,1]=4 1859 B5R0.2 OC/C=C/CCl MCULE-4378785113 [1,1,0,0,0,0|0,0,1]=3 1860 B5R0.2 OC/C=C/CO MCULE-4752272005 [1,1,0,0,0,0|0,0,1]=3 1861 B5R0.2 OC/C=C\CO MCULE-2695577582 [1,1,0,0,0,0|0,0,1]=3 1862 B5R0.2 OC=CCCBr MCULE-3964604828 [1,1,0,0,0,0|0,0,1]=3 1863 B5R0.2 OC=CCCBr MCULE-5728835735 [1,1,0,0,0,0|0,0,1]=3 1864 B5R0.2 OCC=CCCl MCULE-7597942117 [1,1,0,0,0,0|0,0,1]=3 1865 B5R0.2 OCC=CCO MCULE-9559211408 [1,1,0,0,0,0|0,0,1]=3 1866 B5R0.2 ON=CC=NO MCULE-4643147888 [1,1,0,0,0,0|2,0,0]=4 1867 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,2,0,0,0,0|0,0,2]=4 1868 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,2,0,0,0,0|0,0,2]=4 1869 B7R0.2 C/C(=C/N(C)C)/C=O MCULE-5191348171 [0,2,0,0,0,0|2,0,0]=4 1870 B7R0.2 C/C(=C\N(C)C)/C=O MCULE-4104391160 [0,2,0,0,0,0|2,0,0]=4 1871 B7R0.2 C=CC(=O)C=C(C)C MCULE-3761351531 [0,2,0,0,0,0|1,0,0]=3 1872 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [0,2,0,0,0,0|1,0,1]=4 1873 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,2,0,0,0,0|0,0,2]=4 1874 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,2,0,0,0,0|0,0,2]=4 1875 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,2,0,0,0,0|0,0,2]=4 1876 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,2,0,0,0,0|0,0,2]=4 1877 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,2,0,0,0,0|0,0,0]=2 1878 B7R0.2 CC(=CN(C)C)C=O MCULE-6590049848 [0,2,0,0,0,0|2,0,0]=4 1879 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [0,2,0,0,0,0|2,0,0]=4 1880 B7R0.2 CC(C)/C=C(\F)/CO MCULE-5089231546 [0,2,0,0,0,0|1,0,1]=4 1881 B7R0.2 CC(C)NC(=O)CO MCULE-5386700783 [0,2,0,0,0,0|1,0,1]=4 1882 B7R0.2 CC(C)OC(=O)CO MCULE-4694316703 [0,2,0,0,0,0|1,0,1]=4 1883 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,2,0,0,0,0|0,0,2]=4 1884 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,2,0,0,0,0|0,0,2]=4 1885 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,2,0,0,0,0|0,0,2]=4 1886 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,2,0,0,0,0|0,0,2]=4 1887 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,2,0,0,0,0|0,0,0]=2 1888 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,2,0,0,0,0|1,0,1]=4 1889 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,2,0,0,0,0|0,0,1]=3 1890 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,2,0,0,0,0|1,0,1]=4 1891 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,2,0,0,0,0|0,0,2]=4 1892 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,2,0,0,0,0|0,0,2]=4 1893 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,2,0,0,0,0|0,0,2]=4 1894 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,2,0,0,0,0|0,0,2]=4 1895 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,2,0,0,0,0|0,0,2]=4 1896 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,2,0,0,0,0|0,0,2]=4 1897 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,2,0,0,0,0|0,0,2]=4 1898 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,2,0,0,0,0|0,0,2]=4 1899 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,2,0,0,0,0|0,0,2]=4 1900 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,2,0,0,0,0|0,0,2]=4 1901 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,2,0,0,0,0|0,0,2]=4 1902 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,2,0,0,0,0|0,0,2]=4 1903 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,2,0,0,0,0|0,0,2]=4 1904 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,2,0,0,0,0|0,0,2]=4 1905 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,2,0,0,0,0|0,0,2]=4 1906 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,2,0,0,0,0|0,0,2]=4 1907 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,2,0,0,0,0|0,0,2]=4 1908 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,2,0,0,0,0|0,0,2]=4 1909 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,2,0,0,0,0|0,0,2]=4 1910 B7R0.2 CN(C)C=C(Br)C=O MCULE-6219650032 [0,2,0,0,0,0|2,0,0]=4 1911 B7R0.2 CN(C)C=C(F)C=O MCULE-7113199029 [0,2,0,0,0,0|2,0,0]=4 1912 B7R0.2 CN(C)C=C(I)C=O MCULE-5701724761 [0,2,0,0,0,0|2,0,0]=4 1913 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,2,0,0,0,0|1,0,1]=4 1914 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,2,0,0,0,0|1,0,1]=4 1915 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,2,0,0,0,0|1,0,0]=3 1916 B7R0.2 CNC(=C[N+](=O)[O-])N MCULE-4229797824 [0,2,0,0,0,0|1,0,1]=4 1917 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,2,0,0,0,0|1,0,1]=4 1918 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,2,0,0,0,0|0,0,1]=3 1919 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,2,0,0,0,0|2,0,0]=4 1920 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [0,2,0,0,0,0|2,0,0]=4 1921 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,2,0,0,0,0|0,0,2]=4 1922 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,2,0,0,0,0|0,0,2]=4 1923 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,2,0,0,0,0|0,0,0]=2 1924 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,2,0,0,0,0|1,0,0]=3 1925 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,2,0,0,0,0|0,0,0]=2 1926 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,2,0,0,0,0|0,0,0]=2 1927 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,2,0,0,0,0|0,0,0]=2 1928 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,2,0,0,0,0|0,0,0]=2 1929 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,2,0,0,0,0|0,0,0]=2 1930 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,2,0,0,0,0|0,0,0]=2 1931 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,2,0,0,0,0|0,0,0]=2 1932 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,2,0,0,0,0|1,0,1]=4 1933 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,2,0,0,0,0|1,0,1]=4 1934 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,2,0,0,0,0|0,0,1]=3 1935 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,2,0,0,0,0|1,0,1]=4 1936 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,2,0,0,0,0|1,0,1]=4 1937 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,2,0,0,0,0|0,0,1]=3 1938 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,2,0,0,0,0|0,0,2]=4 1939 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [0,2,0,0,0,0|1,0,1]=4 1940 B7R0.2 COC(=O)CC(C)Br MCULE-4193147778 [0,2,0,0,0,0|0,0,2]=4 1941 B7R0.2 COC(=O)CC(C)C MCULE-2808202854 [0,2,0,0,0,0|0,0,2]=4 1942 B7R0.2 COC(=O)CC(C)Cl MCULE-2734734940 [0,2,0,0,0,0|0,0,2]=4 1943 B7R0.2 COC(=O)CC(C)N MCULE-2402304310 [0,2,0,0,0,0|0,0,2]=4 1944 B7R0.2 COC(=O)CC(C)N MCULE-3520358398 [0,2,0,0,0,0|0,0,2]=4 1945 B7R0.2 COC(=O)CC(C)N MCULE-4044567169 [0,2,0,0,0,0|0,0,2]=4 1946 B7R0.2 COC(=O)CC(C)N MCULE-5962991844 [0,2,0,0,0,0|0,0,2]=4 1947 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [0,2,0,0,0,0|0,0,2]=4 1948 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [0,2,0,0,0,0|0,0,2]=4 1949 B7R0.2 COC(=O)CC(C)S MCULE-8423856471 [0,2,0,0,0,0|0,0,2]=4 1950 B7R0.2 COC(=O)CN(C)C MCULE-2035644817 [0,2,0,0,0,0|1,0,1]=4 1951 B7R0.2 COC(=O)CN(C)C MCULE-2356820620 [0,2,0,0,0,0|1,0,1]=4 1952 B7R0.2 COC(=O)CS(=O)C MCULE-6286293391 [0,2,0,0,0,0|1,0,1]=4 1953 B7R0.2 COC(=O)C[C@@H](C)N MCULE-1483636974 [0,2,0,0,0,0|0,0,2]=4 1954 B7R0.2 COC(=O)C[C@@H](C)N MCULE-4260923997 [0,2,0,0,0,0|0,0,2]=4 1955 B7R0.2 COC(=O)C[C@@H](C)N MCULE-6569883717 [0,2,0,0,0,0|0,0,2]=4 1956 B7R0.2 COC(=O)C[C@@H](C)N MCULE-9853158708 [0,2,0,0,0,0|0,0,2]=4 1957 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [0,2,0,0,0,0|0,0,2]=4 1958 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [0,2,0,0,0,0|0,0,2]=4 1959 B7R0.2 COC(=O)C[C@H](C)N MCULE-1385999778 [0,2,0,0,0,0|0,0,2]=4 1960 B7R0.2 COC(=O)C[C@H](C)N MCULE-1446150641 [0,2,0,0,0,0|0,0,2]=4 1961 B7R0.2 COC(=O)C[C@H](C)N MCULE-2979603570 [0,2,0,0,0,0|0,0,2]=4 1962 B7R0.2 COC(=O)C[C@H](C)N MCULE-7679126750 [0,2,0,0,0,0|0,0,2]=4 1963 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [0,2,0,0,0,0|0,0,2]=4 1964 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [0,2,0,0,0,0|0,0,2]=4 1965 B7R0.2 COC(=O)NC(C)C MCULE-4552685948 [0,2,0,0,0,0|1,0,1]=4 1966 B7R0.2 COC(=O)OC(C)C MCULE-4462394604 [0,2,0,0,0,0|1,0,1]=4 1967 B7R0.2 COC(=O)SC(C)C MCULE-9908884347 [0,2,0,0,0,0|1,0,1]=4 1968 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,2,0,0,0,0|0,0,2]=4 1969 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,2,0,0,0,0|0,0,2]=4 1970 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,2,0,0,0,0|0,0,2]=4 1971 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,2,0,0,0,0|0,0,2]=4 1972 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,2,0,0,0,0|1,0,1]=4 1973 B7R0.2 N=C(N)NC(=O)CO MCULE-1435627041 [0,2,0,0,0,0|2,0,0]=4 1974 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [0,2,0,0,0,0|2,0,0]=4 1975 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [0,2,0,0,0,0|2,0,0]=4 1976 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,2,0,0,0,0|0,0,2]=4 1977 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,2,0,0,0,0|0,0,2]=4 1978 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,2,0,0,0,0|0,0,2]=4 1979 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,2,0,0,0,0|0,0,2]=4 1980 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,2,0,0,0,0|0,0,2]=4 1981 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,2,0,0,0,0|0,0,2]=4 1982 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,2,0,0,0,0|0,0,2]=4 1983 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,2,0,0,0,0|0,0,2]=4 1984 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,2,0,0,0,0|0,0,2]=4 1985 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,2,0,0,0,0|0,0,2]=4 1986 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,2,0,0,0,0|0,0,2]=4 1987 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,2,0,0,0,0|0,0,2]=4 1988 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,2,0,0,0,0|0,0,2]=4 1989 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,2,0,0,0,0|0,0,2]=4 1990 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,2,0,0,0,0|0,0,2]=4 1991 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,2,0,0,0,0|0,0,2]=4 1992 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,2,0,0,0,0|0,0,2]=4 1993 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,2,0,0,0,0|0,0,2]=4 1994 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,2,0,0,0,0|1,0,1]=4 1995 B7R0.2 O=C(C=C(Cl)Cl)CCl MCULE-5580104687 [0,2,0,0,0,0|2,0,0]=4 1996 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,2,0,0,0,0|1,0,1]=4 1997 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,2,0,0,0,0|0,0,1]=3 1998 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,2,0,0,0,0|0,0,1]=3 1999 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,2,0,0,0,0|0,0,2]=4 2000 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,2,0,0,0,0|0,0,2]=4 2001 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,2,0,0,0,0|1,0,1]=4 2002 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [0,2,0,0,0,0|0,0,0]=2 2003 B7R0.3 C=CC=CC(=O)OC MCULE-1940821537 [0,2,0,0,0,0|0,0,1]=3 2004 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [0,2,0,0,0,0|0,0,2]=4 2005 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [0,2,0,0,0,0|0,0,2]=4 2006 B7R0.3 C=CCOC(=O)OC MCULE-9416609870 [0,2,0,0,0,0|0,0,2]=4 2007 B7R0.3 CC#CCC(=O)OC MCULE-4727663716 [0,2,0,0,0,0|0,0,2]=4 2008 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [0,2,0,0,0,0|0,0,0]=2 2009 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [0,2,0,0,0,0|0,0,0]=2 2010 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [0,2,0,0,0,0|1,0,1]=4 2011 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [0,2,0,0,0,0|1,0,1]=4 2012 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [0,2,0,0,0,0|0,0,0]=2 2013 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [0,2,0,0,0,0|0,0,2]=4 2014 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [0,2,0,0,0,0|0,0,2]=4 2015 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [0,2,0,0,0,0|0,0,2]=4 2016 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [0,2,0,0,0,0|0,0,2]=4 2017 B7R0.3 CCO/C=C(/C)\C=O MCULE-3167895853 [0,2,0,0,0,0|1,0,1]=4 2018 B7R0.3 CCO/C=C(\C)/C=O MCULE-5904529641 [0,2,0,0,0,0|1,0,1]=4 2019 B7R0.3 CCOC=C(C)C=O MCULE-8349392891 [0,2,0,0,0,0|1,0,1]=4 2020 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [0,2,0,0,0,0|0,0,2]=4 2021 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [0,2,0,0,0,0|0,0,2]=4 2022 B7R0.3 CNC(=O)C=CCN MCULE-3646722223 [0,2,0,0,0,0|1,0,0]=3 2023 B7R0.3 CNC(=O)C=CCN MCULE-6988679780 [0,2,0,0,0,0|1,0,0]=3 2024 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [0,2,0,0,0,0|0,0,2]=4 2025 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [0,2,0,0,0,0|0,0,2]=4 2026 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [0,2,0,0,0,0|1,0,1]=4 2027 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [0,2,0,0,0,0|1,0,1]=4 2028 B7R0.3 CO/C=C/C(=O)OC MCULE-8858181328 [0,2,0,0,0,0|0,0,0]=2 2029 B7R0.3 COC(=O)/C=C/CBr MCULE-5511432414 [0,2,0,0,0,0|0,0,0]=2 2030 B7R0.3 COC(=O)/C=C/CN MCULE-6249542756 [0,2,0,0,0,0|0,0,0]=2 2031 B7R0.3 COC(=O)/C=C/CN MCULE-7014993899 [0,2,0,0,0,0|0,0,0]=2 2032 B7R0.3 COC(=O)/C=C\CBr MCULE-5925439397 [0,2,0,0,0,0|0,0,0]=2 2033 B7R0.3 COC(=O)C#CCN MCULE-5567960811 [0,2,0,0,0,0|0,0,2]=4 2034 B7R0.3 COC(=O)C#CCN MCULE-9518684465 [0,2,0,0,0,0|0,0,2]=4 2035 B7R0.3 COC(=O)C#CCO MCULE-5683806193 [0,2,0,0,0,0|0,0,2]=4 2036 B7R0.3 COC(=O)C=CC=O MCULE-3663456611 [0,2,0,0,0,0|0,0,1]=3 2037 B7R0.3 COC(=O)C=CCBr MCULE-1558782396 [0,2,0,0,0,0|0,0,0]=2 2038 B7R0.3 COC(=O)C=CCN MCULE-4573398613 [0,2,0,0,0,0|0,0,0]=2 2039 B7R0.3 COC(=O)C=CCN MCULE-4807348004 [0,2,0,0,0,0|0,0,0]=2 2040 B7R0.3 COC(=O)C=CCN MCULE-7751483147 [0,2,0,0,0,0|0,0,0]=2 2041 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [0,2,0,0,0,0|1,0,1]=4 2042 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [0,2,0,0,0,0|0,0,2]=4 2043 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [0,2,0,0,0,0|0,0,2]=4 2044 B7R0.3 COC(=O)CCCI MCULE-6607823615 [0,2,0,0,0,0|0,0,2]=4 2045 B7R0.3 COC(=O)CCCN MCULE-2399653885 [0,2,0,0,0,0|0,0,2]=4 2046 B7R0.3 COC(=O)CCCN MCULE-7745643244 [0,2,0,0,0,0|0,0,2]=4 2047 B7R0.3 COC(=O)CCCO MCULE-6149839873 [0,2,0,0,0,0|0,0,2]=4 2048 B7R0.3 COC(=O)CCCS MCULE-6897052882 [0,2,0,0,0,0|0,0,2]=4 2049 B7R0.3 COC(=O)CCSC MCULE-8525618169 [0,2,0,0,0,0|0,0,2]=4 2050 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [0,2,0,0,0,0|1,0,1]=4 2051 B7R0.3 COC(=O)NCCN MCULE-4816806580 [0,2,0,0,0,0|1,0,1]=4 2052 B7R0.3 COC(=O)NCCN MCULE-9765640123 [0,2,0,0,0,0|1,0,1]=4 2053 B7R0.3 COC(=O)NCCO MCULE-7141835204 [0,2,0,0,0,0|1,0,1]=4 2054 B7R0.3 COC=CC(=O)OC MCULE-3167643214 [0,2,0,0,0,0|0,0,0]=2 2055 B7R0.3 COCCC(=O)OC MCULE-5918489580 [0,2,0,0,0,0|0,0,2]=4 2056 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [0,2,0,0,0,0|1,0,1]=4 2057 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,2,0,0,0,0|0,0,1]=3 2058 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,2,0,0,0,0|0,0,1]=3 2059 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,2,0,0,0,0|0,0,1]=3 2060 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,2,0,0,0,0|0,0,2]=4 2061 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [0,2,0,0,0,0|0,0,1]=3 2062 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,2,0,0,0,0|0,0,2]=4 2063 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,2,0,0,0,0|0,0,2]=4 2064 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,2,0,0,0,0|0,0,2]=4 2065 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,2,0,0,0,0|0,0,2]=4 2066 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,2,0,0,0,0|0,0,2]=4 2067 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,2,0,0,0,0|0,0,2]=4 2068 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,2,0,0,0,0|0,0,2]=4 2069 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,2,0,0,0,0|0,0,2]=4 2070 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,2,0,0,0,0|0,0,2]=4 2071 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,2,0,0,0,0|0,0,2]=4 2072 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,2,0,0,0,0|0,0,2]=4 2073 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,2,0,0,0,0|0,0,2]=4 2074 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,2,0,0,0,0|0,0,2]=4 2075 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,2,0,0,0,0|0,0,2]=4 2076 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,2,0,0,0,0|0,0,2]=4 2077 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,2,0,0,0,0|0,0,2]=4 2078 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,2,0,0,0,0|0,0,2]=4 2079 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,2,0,0,0,0|0,0,2]=4 2080 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,2,0,0,0,0|0,0,2]=4 2081 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,2,0,0,0,0|1,0,1]=4 2082 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,2,0,0,0,0|0,0,0]=2 2083 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,2,0,0,0,0|0,0,0]=2 2084 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,2,0,0,0,0|0,0,0]=2 2085 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,2,0,0,0,0|0,0,0]=2 2086 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,2,0,0,0,0|0,0,0]=2 2087 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [0,2,0,0,0,0|1,0,1]=4 2088 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,2,0,0,0,0|1,0,1]=4 2089 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,2,0,0,0,0|0,0,1]=3 2090 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,2,0,0,0,0|0,0,2]=4 2091 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,2,0,0,0,0|0,0,2]=4 2092 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,2,0,0,0,0|0,0,2]=4 2093 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,2,0,0,0,0|0,0,2]=4 2094 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,2,0,0,0,0|0,0,2]=4 2095 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,2,0,0,0,0|0,0,2]=4 2096 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,2,0,0,0,0|0,0,2]=4 2097 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,2,0,0,0,0|0,0,2]=4 2098 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,2,0,0,0,0|0,0,2]=4 2099 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,2,0,0,0,0|0,0,2]=4 2100 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,2,0,0,0,0|0,0,2]=4 2101 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,2,0,0,0,0|0,0,2]=4 2102 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,2,0,0,0,0|0,0,2]=4 2103 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,2,0,0,0,0|0,0,2]=4 2104 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,2,0,0,0,0|0,0,2]=4 2105 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,2,0,0,0,0|0,0,2]=4 2106 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,2,0,0,0,0|0,0,2]=4 2107 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,2,0,0,0,0|0,0,2]=4 2108 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,2,0,0,0,0|0,0,1]=3 2109 B7R0.5 CCNC(=O)[C@H](C)O MCULE-9098995292 [0,2,0,0,0,0|1,0,1]=4 2110 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,2,0,0,0,0|0,0,2]=4 2111 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,2,0,0,0,0|0,0,2]=4 2112 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,2,0,0,0,0|0,0,2]=4 2113 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [0,2,0,0,0,0|1,0,1]=4 2114 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [0,2,0,0,0,0|1,0,1]=4 2115 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [0,2,0,0,0,0|1,0,1]=4 2116 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,2,0,0,0,0|0,0,1]=3 2117 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [0,2,0,0,0,0|0,0,2]=4 2118 B7R0.5 CCOC(=O)C(C)O MCULE-8057202883 [0,2,0,0,0,0|1,0,1]=4 2119 B7R0.5 CCOC(=O)C(C)O MCULE-9679398205 [0,2,0,0,0,0|1,0,1]=4 2120 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-3372948910 [0,2,0,0,0,0|1,0,1]=4 2121 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-5795033916 [0,2,0,0,0,0|1,0,1]=4 2122 B7R0.5 CCOC(=O)[C@H](C)O MCULE-4333545760 [0,2,0,0,0,0|1,0,1]=4 2123 B7R0.5 CCOC(=O)[C@H](C)O MCULE-8787861948 [0,2,0,0,0,0|1,0,1]=4 2124 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [0,2,0,0,0,0|1,0,1]=4 2125 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,2,0,0,0,0|0,0,2]=4 2126 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,2,0,0,0,0|0,0,2]=4 2127 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,2,0,0,0,0|0,0,2]=4 2128 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,2,0,0,0,0|0,0,2]=4 2129 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,2,0,0,0,0|0,0,2]=4 2130 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,2,0,0,0,0|0,0,2]=4 2131 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,2,0,0,0,0|0,0,2]=4 2132 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,2,0,0,0,0|0,0,2]=4 2133 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,2,0,0,0,0|0,0,2]=4 2134 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,2,0,0,0,0|0,0,2]=4 2135 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,2,0,0,0,0|0,0,2]=4 2136 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,2,0,0,0,0|0,0,2]=4 2137 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,2,0,0,0,0|0,0,2]=4 2138 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,2,0,0,0,0|0,0,2]=4 2139 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,2,0,0,0,0|0,0,2]=4 2140 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,2,0,0,0,0|0,0,2]=4 2141 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,2,0,0,0,0|0,0,2]=4 2142 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,2,0,0,0,0|0,0,2]=4 2143 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,2,0,0,0,0|0,0,2]=4 2144 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,2,0,0,0,0|0,0,2]=4 2145 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,2,0,0,0,0|0,0,2]=4 2146 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,2,0,0,0,0|0,0,2]=4 2147 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,2,0,0,0,0|0,0,2]=4 2148 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,2,0,0,0,0|0,0,2]=4 2149 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,2,0,0,0,0|0,0,2]=4 2150 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,2,0,0,0,0|0,0,2]=4 2151 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [0,2,0,0,0,0|1,0,0]=3 2152 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,2,0,0,0,0|0,0,2]=4 2153 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,2,0,0,0,0|0,0,2]=4 2154 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,2,0,0,0,0|0,0,2]=4 2155 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,2,0,0,0,0|0,0,2]=4 2156 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,2,0,0,0,0|0,0,2]=4 2157 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,2,0,0,0,0|1,0,1]=4 2158 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,2,0,0,0,0|1,0,1]=4 2159 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,2,0,0,0,0|0,0,2]=4 2160 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,2,0,0,0,0|0,0,2]=4 2161 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,2,0,0,0,0|0,0,2]=4 2162 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,2,0,0,0,0|0,0,2]=4 2163 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,2,0,0,0,0|0,0,2]=4 2164 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,2,0,0,0,0|0,0,2]=4 2165 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,2,0,0,0,0|0,0,2]=4 2166 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,2,0,0,0,0|0,0,2]=4 2167 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,2,0,0,0,0|0,0,2]=4 2168 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,2,0,0,0,0|0,0,2]=4 2169 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,2,0,0,0,0|0,0,2]=4 2170 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,2,0,0,0,0|0,0,2]=4 2171 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,2,0,0,0,0|0,0,2]=4 2172 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,2,0,0,0,0|0,0,2]=4 2173 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,2,0,0,0,0|0,0,2]=4 2174 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,2,0,0,0,0|0,0,2]=4 2175 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,2,0,0,0,0|0,0,2]=4 2176 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,2,0,0,0,0|0,0,2]=4 2177 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,2,0,0,0,0|0,0,2]=4 2178 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,2,0,0,0,0|0,0,2]=4 2179 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,2,0,0,0,0|0,0,2]=4 2180 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,2,0,0,0,0|0,0,2]=4 2181 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,2,0,0,0,0|0,0,2]=4 2182 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,2,0,0,0,0|0,0,2]=4 2183 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,2,0,0,0,0|0,0,2]=4 2184 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,2,0,0,0,0|0,0,2]=4 2185 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,2,0,0,0,0|0,0,2]=4 2186 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,2,0,0,0,0|0,0,2]=4 2187 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,2,0,0,0,0|0,0,2]=4 2188 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,2,0,0,0,0|0,0,2]=4 2189 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,2,0,0,0,0|0,0,2]=4 2190 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,2,0,0,0,0|0,0,2]=4 2191 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,2,0,0,0,0|0,0,2]=4 2192 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,2,0,0,0,0|0,0,2]=4 2193 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,2,0,0,0,0|0,0,2]=4 2194 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,2,0,0,0,0|0,0,2]=4 2195 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,2,0,0,0,0|0,0,2]=4 2196 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,2,0,0,0,0|0,0,2]=4 2197 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,2,0,0,0,0|0,0,2]=4 2198 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,2,0,0,0,0|0,0,2]=4 2199 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,2,0,0,0,0|0,0,2]=4 2200 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,2,0,0,0,0|0,0,2]=4 2201 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,2,0,0,0,0|0,0,2]=4 2202 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,2,0,0,0,0|0,0,2]=4 2203 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,2,0,0,0,0|0,0,2]=4 2204 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,2,0,0,0,0|0,0,2]=4 2205 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,2,0,0,0,0|0,0,2]=4 2206 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,2,0,0,0,0|0,0,2]=4 2207 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,2,0,0,0,0|0,0,2]=4 2208 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,2,0,0,0,0|0,0,2]=4 2209 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,2,0,0,0,0|0,0,2]=4 2210 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,2,0,0,0,0|0,0,2]=4 2211 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,2,0,0,0,0|0,0,2]=4 2212 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,2,0,0,0,0|0,0,2]=4 2213 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,2,0,0,0,0|0,0,2]=4 2214 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,2,0,0,0,0|0,0,2]=4 2215 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,2,0,0,0,0|0,0,2]=4 2216 B7R0.7 C/C=C/C(=O)N=C=S MCULE-1051826106 [0,2,0,0,0,0|0,1,0]=3 2217 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [0,2,0,0,0,0|0,0,0]=2 2218 B7R0.7 C=C=CC(=O)OCC MCULE-9108726418 [0,2,0,0,0,0|0,0,2]=4 2219 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [0,2,0,0,0,0|0,0,2]=4 2220 B7R0.7 C=COC(=O)/C=C/C MCULE-3646996165 [0,2,0,0,0,0|0,0,0]=2 2221 B7R0.7 C=COC(=O)C=CC MCULE-7917602280 [0,2,0,0,0,0|0,0,0]=2 2222 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [0,2,0,0,0,0|0,0,2]=4 2223 B7R0.7 CC#CC(=O)OCC MCULE-3358315498 [0,2,0,0,0,0|0,0,2]=4 2224 B7R0.7 CC=CC(=O)N=C=S MCULE-4538158885 [0,2,0,0,0,0|0,1,0]=3 2225 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [0,2,0,0,0,0|0,0,0]=2 2226 B7R0.7 CC=CC(O)CCC MCULE-2375824505 [0,2,0,0,0,0|1,0,1]=4 2227 B7R0.7 CCCC(=O)OCC MCULE-9977024136 [0,2,0,0,0,0|0,0,2]=4 2228 B7R0.7 CCCC(=O)OCCl MCULE-5186069317 [0,2,0,0,0,0|0,0,2]=4 2229 B7R0.7 CCNC(=O)CCO MCULE-3624072697 [0,2,0,0,0,0|1,0,1]=4 2230 B7R0.7 CCNC(=O)OCC MCULE-3910060770 [0,2,0,0,0,0|1,0,1]=4 2231 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [0,2,0,0,0,0|1,0,0]=3 2232 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [0,2,0,0,0,0|1,0,0]=3 2233 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [0,2,0,0,0,0|1,0,0]=3 2234 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [0,2,0,0,0,0|1,0,0]=3 2235 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [0,2,0,0,0,0|1,0,0]=3 2236 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [0,2,0,0,0,0|1,0,0]=3 2237 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [0,2,0,0,0,0|1,0,0]=3 2238 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [0,2,0,0,0,0|1,0,0]=3 2239 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [0,2,0,0,0,0|1,0,0]=3 2240 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [0,2,0,0,0,0|1,0,0]=3 2241 B7R0.7 CCOC(=O)C=NN MCULE-5132323904 [0,2,0,0,0,0|2,0,0]=4 2242 B7R0.7 CCOC(=O)C=NN MCULE-5899717314 [0,2,0,0,0,0|2,0,0]=4 2243 B7R0.7 CCOC(=O)C=NO MCULE-8888029932 [0,2,0,0,0,0|1,0,1]=4 2244 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [0,2,0,0,0,0|1,0,1]=4 2245 B7R0.7 CCOC(=O)CCO MCULE-3972081033 [0,2,0,0,0,0|1,0,1]=4 2246 B7R0.7 CCOC(=O)CNC MCULE-3219895330 [0,2,0,0,0,0|1,0,1]=4 2247 B7R0.7 CCOC(=O)CNC MCULE-6164649520 [0,2,0,0,0,0|1,0,1]=4 2248 B7R0.7 CCOC(=O)COC MCULE-7739678079 [0,2,0,0,0,0|1,0,1]=4 2249 B7R0.7 CCOC(=O)CON MCULE-4924818206 [0,2,0,0,0,0|1,0,1]=4 2250 B7R0.7 CCOC(=O)CSC MCULE-5199209389 [0,2,0,0,0,0|1,0,1]=4 2251 B7R0.7 CCOC(=O)NCO MCULE-1265242244 [0,2,0,0,0,0|1,0,1]=4 2252 B7R0.7 CCOC(=O)NNC MCULE-8689837834 [0,2,0,0,0,0|2,0,0]=4 2253 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [0,2,0,0,0,0|1,0,1]=4 2254 B7R0.7 CCOC(=O)OCC MCULE-1394890550 [0,2,0,0,0,0|1,0,1]=4 2255 B7R0.7 CCOC(=O)OCCl MCULE-9723292956 [0,2,0,0,0,0|1,0,1]=4 2256 B7R0.7 CCOC(=O)OCI MCULE-7994621582 [0,2,0,0,0,0|1,0,1]=4 2257 B7R0.7 CCOC(=O)[CH-]C=O MCULE-1944484299 [0,2,0,0,0,0|1,0,1]=4 2258 B7R0.7 CCOC(=O)[CH-]C=O MCULE-5022028224 [0,2,0,0,0,0|1,0,1]=4 2259 B7R0.7 COCC(=O)COC MCULE-5119511792 [0,2,0,0,0,0|1,0,1]=4 2260 B7R0.10 C/C=C(/C)\C(=O)OC MCULE-6490619453 [0,2,0,0,0,0|0,0,0]=2 2261 B7R0.10 C/C=C(\C)/C(=O)OC MCULE-2521624465 [0,2,0,0,0,0|0,0,0]=2 2262 B7R0.10 C=C(C#N)C(=O)OC MCULE-4928080553 [0,2,0,0,0,0|1,0,1]=4 2263 B7R0.10 C=C(CBr)C(=O)OC MCULE-7991860093 [0,2,0,0,0,0|1,0,1]=4 2264 B7R0.10 C=C(CC)C(=O)OC MCULE-2064145693 [0,2,0,0,0,0|0,0,1]=3 2265 B7R0.10 C=C(CCl)C(=O)OC MCULE-8356509776 [0,2,0,0,0,0|1,0,1]=4 2266 B7R0.10 C=C(CO)C(=O)OC MCULE-8888105984 [0,2,0,0,0,0|1,0,1]=4 2267 B7R0.10 C=C(OC)C(=O)OC MCULE-3256769494 [0,2,0,0,0,0|1,0,0]=3 2268 B7R0.10 C=CC(Cl)C(=O)OC MCULE-8371197919 [0,2,0,0,0,0|0,0,2]=4 2269 B7R0.10 C=CC(N)C(=O)OC MCULE-6449924585 [0,2,0,0,0,0|0,0,2]=4 2270 B7R0.10 C=CC(N)C(=O)OC MCULE-8138684326 [0,2,0,0,0,0|0,0,2]=4 2271 B7R0.10 C=CC(O)C(=O)OC MCULE-8475572887 [0,2,0,0,0,0|0,0,2]=4 2272 B7R0.10 CC=C(Br)C(=O)OC MCULE-8210439839 [0,2,0,0,0,0|0,0,0]=2 2273 B7R0.10 CC=C(C)C(=O)OC MCULE-7431996149 [0,2,0,0,0,0|0,0,0]=2 2274 B7R0.10 CCC(=O)C(=NO)C MCULE-5669219787 [0,2,0,0,0,0|1,0,1]=4 2275 B7R0.10 CCC(=O)C(=O)CC MCULE-4346857339 [0,2,0,0,0,0|1,0,1]=4 2276 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [0,2,0,0,0,0|0,0,1]=3 2277 B7R0.10 CCC(Br)C(=O)OC MCULE-2335527491 [0,2,0,0,0,0|0,0,2]=4 2278 B7R0.10 CCC(C)C(=O)OC MCULE-9845747952 [0,2,0,0,0,0|0,0,2]=4 2279 B7R0.10 CCC(Cl)C(=O)OC MCULE-4773486285 [0,2,0,0,0,0|0,0,2]=4 2280 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,2,0,0,0,0|0,0,2]=4 2281 B7R0.10 CCC(N)C(=O)OC MCULE-1569242271 [0,2,0,0,0,0|0,0,2]=4 2282 B7R0.10 CCC(N)C(=O)OC MCULE-3183954116 [0,2,0,0,0,0|0,0,2]=4 2283 B7R0.10 CCC(N)C(=O)OC MCULE-4045754117 [0,2,0,0,0,0|0,0,2]=4 2284 B7R0.10 CCC(N)C(=O)OC MCULE-5328984047 [0,2,0,0,0,0|0,0,2]=4 2285 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,2,0,0,0,0|0,0,2]=4 2286 B7R0.10 CC[C@@H](Br)C(=O)OC MCULE-2676798410 [0,2,0,0,0,0|0,0,2]=4 2287 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6794991435 [0,2,0,0,0,0|0,0,2]=4 2288 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6825672331 [0,2,0,0,0,0|0,0,2]=4 2289 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-7307663817 [0,2,0,0,0,0|0,0,2]=4 2290 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-8717527808 [0,2,0,0,0,0|0,0,2]=4 2291 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,2,0,0,0,0|0,0,2]=4 2292 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,2,0,0,0,0|0,0,2]=4 2293 B7R0.10 CC[C@H](Br)C(=O)OC MCULE-5490793206 [0,2,0,0,0,0|0,0,2]=4 2294 B7R0.10 CC[C@H](N)C(=O)OC MCULE-2336816190 [0,2,0,0,0,0|0,0,2]=4 2295 B7R0.10 CC[C@H](N)C(=O)OC MCULE-3480066740 [0,2,0,0,0,0|0,0,2]=4 2296 B7R0.10 CC[C@H](N)C(=O)OC MCULE-4883083558 [0,2,0,0,0,0|0,0,2]=4 2297 B7R0.10 CC[C@H](N)C(=O)OC MCULE-6241184216 [0,2,0,0,0,0|0,0,2]=4 2298 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,2,0,0,0,0|0,0,2]=4 2299 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,2,0,0,0,0|0,0,2]=4 2300 B7R0.10 CNC(=O)/C(=N/O)/N MCULE-4165941405 [0,2,0,0,0,0|2,0,0]=4 2301 B7R0.10 CNC(=O)C(=NO)C MCULE-5419636892 [0,2,0,0,0,0|2,0,0]=4 2302 B7R0.10 CNC(=O)C(=O)NC MCULE-5993874240 [0,2,0,0,0,0|2,0,0]=4 2303 B7R0.10 CNC(=O)C(=O)OC MCULE-1771479923 [0,2,0,0,0,0|1,0,0]=3 2304 B7R0.10 CNC(C)C(=O)OC MCULE-1524259113 [0,2,0,0,0,0|1,0,1]=4 2305 B7R0.10 CNC(C)C(=O)OC MCULE-2414146201 [0,2,0,0,0,0|1,0,1]=4 2306 B7R0.10 CNC(C)C(=O)OC MCULE-3192973771 [0,2,0,0,0,0|1,0,1]=4 2307 B7R0.10 CNC(C)C(=O)OC MCULE-9929257431 [0,2,0,0,0,0|1,0,1]=4 2308 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-1271745038 [0,2,0,0,0,0|1,0,1]=4 2309 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-3018199319 [0,2,0,0,0,0|1,0,1]=4 2310 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3420184809 [0,2,0,0,0,0|1,0,1]=4 2311 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3818454089 [0,2,0,0,0,0|1,0,1]=4 2312 B7R0.10 CN[C@H](C)C(=O)OC MCULE-8297775033 [0,2,0,0,0,0|1,0,1]=4 2313 B7R0.10 CN[C@H](C)C(=O)OC MCULE-9637759835 [0,2,0,0,0,0|1,0,1]=4 2314 B7R0.10 COC(=O)/C(=C/Br)/C MCULE-9213242172 [0,2,0,0,0,0|1,0,0]=3 2315 B7R0.10 COC(=O)/C(=C/Cl)/Cl MCULE-7181141754 [0,2,0,0,0,0|1,0,0]=3 2316 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-5795286951 [0,2,0,0,0,0|1,0,0]=3 2317 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-6102470934 [0,2,0,0,0,0|1,0,0]=3 2318 B7R0.10 COC(=O)/C(=N/O)/N MCULE-6279341489 [0,2,0,0,0,0|2,0,0]=4 2319 B7R0.10 COC(=O)C(=CBr)C MCULE-2452279572 [0,2,0,0,0,0|1,0,0]=3 2320 B7R0.10 COC(=O)C(=O)CBr MCULE-7596502094 [0,2,0,0,0,0|1,0,1]=4 2321 B7R0.10 COC(=O)C(=O)NN MCULE-7834741474 [0,2,0,0,0,0|2,0,0]=4 2322 B7R0.10 COC(=O)C(=O)OC MCULE-5018268642 [0,2,0,0,0,0|1,0,0]=3 2323 B7R0.10 COC(=O)C(Br)OC MCULE-5672396067 [0,2,0,0,0,0|1,0,1]=4 2324 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [0,2,0,0,0,0|1,0,1]=4 2325 B7R0.10 COC(=O)C(C)OC MCULE-3274761391 [0,2,0,0,0,0|1,0,1]=4 2326 B7R0.10 COC(=O)C(C)SC MCULE-6914204626 [0,2,0,0,0,0|1,0,1]=4 2327 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [0,2,0,0,0,0|1,0,1]=4 2328 B7R0.10 COC(=O)C(Cl)OC MCULE-8296320773 [0,2,0,0,0,0|1,0,1]=4 2329 B7R0.10 COC(=O)C(O)OC MCULE-5465190164 [0,2,0,0,0,0|1,0,1]=4 2330 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [0,2,0,0,0,0|1,0,1]=4 2331 B7R0.10 COC(=O)[C@H](C)OC MCULE-3095326114 [0,2,0,0,0,0|1,0,1]=4 2332 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-1799930850 [0,2,0,0,0,0|1,0,1]=4 2333 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-5931188957 [0,2,0,0,0,0|1,0,1]=4 2334 B7R0.9 C=C(C)CS(=O)(=O)O MCULE-9682032193 [0,2,0,0,0,0|1,0,1]=4 2335 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [0,2,0,0,0,0|2,0,0]=4 2336 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,2,0,0,0,0|0,0,2]=4 2337 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,2,0,0,0,0|0,0,2]=4 2338 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,2,0,0,0,0|0,0,2]=4 2339 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,2,0,0,0,0|0,0,2]=4 2340 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,2,0,0,0,0|0,0,2]=4 2341 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,2,0,0,0,0|0,0,2]=4 2342 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,2,0,0,0,0|0,0,2]=4 2343 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [0,2,0,0,0,0|0,0,2]=4 2344 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,2,0,0,0,0|1,0,1]=4 2345 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [0,2,0,0,0,0|1,0,1]=4 2346 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [0,2,0,0,0,0|1,0,1]=4 2347 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [0,2,0,0,0,0|0,1,1]=4 2348 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,2,0,0,0,0|1,0,0]=3 2349 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,2,0,0,0,0|0,0,1]=3 2350 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,2,0,0,0,0|1,0,1]=4 2351 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,2,0,0,0,0|0,0,1]=3 2352 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,2,0,0,0,0|0,0,1]=3 2353 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,2,0,0,0,0|0,0,1]=3 2354 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,2,0,0,0,0|0,0,1]=3 2355 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,2,0,0,0,0|1,0,1]=4 2356 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,2,0,0,0,0|0,0,1]=3 2357 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,2,0,0,0,0|0,0,1]=3 2358 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,2,0,0,0,0|0,0,1]=3 2359 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,2,0,0,0,0|0,0,1]=3 2360 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,2,0,0,0,0|0,0,0]=2 2361 B7R0.16 CC(=C(C)B(O)O)C MCULE-7596549970 [0,2,0,0,0,0|1,0,1]=4 2362 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,2,0,0,0,0|0,0,0]=2 2363 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,2,0,0,0,0|0,0,0]=2 2364 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,2,0,0,0,0|0,0,0]=2 2365 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,2,0,0,0,0|0,0,0]=2 2366 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-1358390281 [0,2,0,0,0,0|1,0,0]=3 2367 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-6098819264 [0,2,0,0,0,0|1,0,0]=3 2368 B7R0.16 CC(=O)C(=O)C(C)Br MCULE-8153095418 [0,2,0,0,0,0|1,0,1]=4 2369 B7R0.16 CC(=O)C(=O)N(C)C MCULE-9467983911 [0,2,0,0,0,0|2,0,0]=4 2370 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,2,0,0,0,0|1,0,1]=4 2371 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,2,0,0,0,0|1,0,1]=4 2372 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,2,0,0,0,0|1,0,1]=4 2373 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,2,0,0,0,0|1,0,1]=4 2374 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,2,0,0,0,0|1,0,1]=4 2375 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,2,0,0,0,0|1,0,1]=4 2376 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,2,0,0,0,0|2,0,0]=4 2377 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,2,0,0,0,0|0,0,2]=4 2378 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,2,0,0,0,0|0,0,2]=4 2379 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,2,0,0,0,0|1,0,1]=4 2380 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,2,0,0,0,0|1,0,1]=4 2381 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,2,0,0,0,0|1,0,1]=4 2382 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,2,0,0,0,0|1,0,1]=4 2383 B7R0.16 CC(C)C(=O)C(=O)Cl MCULE-6254092186 [0,2,0,0,0,0|1,0,1]=4 2384 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,2,0,0,0,0|0,0,1]=3 2385 B7R0.16 CC(C)C(=O)C(=O)[O-] MCULE-3960241746 [0,2,0,0,0,0|0,0,2]=4 2386 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,2,0,0,0,0|0,0,2]=4 2387 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,2,0,0,0,0|0,0,2]=4 2388 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,2,0,0,0,0|0,0,2]=4 2389 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,2,0,0,0,0|0,0,2]=4 2390 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,2,0,0,0,0|0,0,2]=4 2391 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,2,0,0,0,0|0,0,2]=4 2392 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,2,0,0,0,0|0,0,2]=4 2393 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,2,0,0,0,0|0,0,2]=4 2394 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,2,0,0,0,0|0,0,2]=4 2395 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,2,0,0,0,0|0,0,2]=4 2396 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,2,0,0,0,0|0,0,2]=4 2397 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,2,0,0,0,0|0,0,2]=4 2398 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,2,0,0,0,0|0,0,2]=4 2399 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,2,0,0,0,0|0,0,2]=4 2400 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,2,0,0,0,0|0,0,2]=4 2401 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,2,0,0,0,0|0,0,2]=4 2402 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,2,0,0,0,0|0,0,2]=4 2403 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,2,0,0,0,0|0,0,2]=4 2404 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,2,0,0,0,0|0,0,2]=4 2405 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,2,0,0,0,0|0,0,2]=4 2406 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,2,0,0,0,0|0,0,2]=4 2407 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,2,0,0,0,0|0,0,2]=4 2408 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,2,0,0,0,0|0,0,2]=4 2409 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,2,0,0,0,0|0,0,2]=4 2410 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,2,0,0,0,0|0,0,2]=4 2411 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,2,0,0,0,0|0,0,2]=4 2412 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,2,0,0,0,0|0,0,2]=4 2413 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,2,0,0,0,0|0,0,2]=4 2414 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,2,0,0,0,0|0,0,2]=4 2415 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,2,0,0,0,0|0,0,2]=4 2416 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,2,0,0,0,0|0,0,2]=4 2417 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,2,0,0,0,0|0,0,2]=4 2418 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,2,0,0,0,0|0,0,2]=4 2419 B7R0.16 CN(C)C(=O)C(=O)O MCULE-4063274840 [0,2,0,0,0,0|1,0,0]=3 2420 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,2,0,0,0,0|1,0,1]=4 2421 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,2,0,0,0,0|1,0,1]=4 2422 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,2,0,0,0,0|1,0,1]=4 2423 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,2,0,0,0,0|0,0,2]=4 2424 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,2,0,0,0,0|0,0,2]=4 2425 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,2,0,0,0,0|0,0,2]=4 2426 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,2,0,0,0,0|0,0,2]=4 2427 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,2,0,0,0,0|0,0,2]=4 2428 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,2,0,0,0,0|0,0,2]=4 2429 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,2,0,0,0,0|0,0,2]=4 2430 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,2,0,0,0,0|0,0,2]=4 2431 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,2,0,0,0,0|0,0,2]=4 2432 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,2,0,0,0,0|0,0,2]=4 2433 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,2,0,0,0,0|0,0,2]=4 2434 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,2,0,0,0,0|1,0,1]=4 2435 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,2,0,0,0,0|1,0,1]=4 2436 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,2,0,0,0,0|0,0,2]=4 2437 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,2,0,0,0,0|0,0,2]=4 2438 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,2,0,0,0,0|0,0,2]=4 2439 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,2,0,0,0,0|0,0,2]=4 2440 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,2,0,0,0,0|0,0,2]=4 2441 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,2,0,0,0,0|0,0,2]=4 2442 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,2,0,0,0,0|0,0,2]=4 2443 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,2,0,0,0,0|0,0,2]=4 2444 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,2,0,0,0,0|0,0,2]=4 2445 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,2,0,0,0,0|0,0,2]=4 2446 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,2,0,0,0,0|0,0,2]=4 2447 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,2,0,0,0,0|0,0,2]=4 2448 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,2,0,0,0,0|0,0,2]=4 2449 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,2,0,0,0,0|1,0,1]=4 2450 B7R0.16 O=C(Cl)C(=C(Cl)Cl)Cl MCULE-8279367474 [0,2,0,0,0,0|2,0,0]=4 2451 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl MCULE-4004262160 [0,2,0,0,0,0|1,0,0]=3 2452 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,2,0,0,0,0|1,0,0]=3 2453 B7R0.16 O=C(O)C(=O)C(Br)Br MCULE-6847251467 [0,2,0,0,0,0|1,0,1]=4 2454 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,2,0,0,0,0|1,0,1]=4 2455 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,2,0,0,0,0|1,0,1]=4 2456 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,2,0,0,0,0|1,0,1]=4 2457 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-3642448111 [0,2,0,0,0,0|1,0,1]=4 2458 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-7835235837 [0,2,0,0,0,0|1,0,1]=4 2459 B7R0.13 C=CC(C)(C)C(=O)O MCULE-4029204507 [0,2,0,0,0,0|0,0,2]=4 2460 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,2,0,0,0,0|0,0,2]=4 2461 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [0,2,0,0,0,0|0,0,2]=4 2462 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [0,2,0,0,0,0|0,0,2]=4 2463 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [0,2,0,0,0,0|0,0,2]=4 2464 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,2,0,0,0,0|0,0,2]=4 2465 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,2,0,0,0,0|0,0,2]=4 2466 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,2,0,0,0,0|0,0,2]=4 2467 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,2,0,0,0,0|0,0,2]=4 2468 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [0,2,0,0,0,0|0,0,2]=4 2469 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [0,2,0,0,0,0|0,0,2]=4 2470 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,2,0,0,0,0|0,0,2]=4 2471 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,2,0,0,0,0|0,0,2]=4 2472 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,2,0,0,0,0|0,0,2]=4 2473 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,2,0,0,0,0|0,0,2]=4 2474 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,2,0,0,0,0|0,0,2]=4 2475 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,2,0,0,0,0|0,0,2]=4 2476 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,2,0,0,0,0|0,0,2]=4 2477 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,2,0,0,0,0|0,0,2]=4 2478 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,2,0,0,0,0|0,0,2]=4 2479 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [0,2,0,0,0,0|1,0,1]=4 2480 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [0,2,0,0,0,0|1,0,1]=4 2481 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [0,2,0,0,0,0|1,0,1]=4 2482 B7R0.13 CSC(C)(C)C(=O)O MCULE-1032417728 [0,2,0,0,0,0|1,0,1]=4 2483 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [0,2,0,0,0,0|1,0,1]=4 2484 B7R0.15 C/C=C(\C#N)/C(=O)O MCULE-4984827905 [0,2,0,0,0,0|0,0,0]=2 2485 B7R0.15 CC=C(C#N)C(=O)O MCULE-5255376210 [0,2,0,0,0,0|0,0,0]=2 2486 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [0,2,0,0,0,0|0,0,0]=2 2487 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [0,2,0,0,0,0|0,0,2]=4 2488 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,2,0,0,0,0|0,0,2]=4 2489 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,2,0,0,0,0|0,0,2]=4 2490 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,2,0,0,0,0|0,0,2]=4 2491 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,2,0,0,0,0|0,0,2]=4 2492 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,2,0,0,0,0|0,0,2]=4 2493 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,2,0,0,0,0|0,0,2]=4 2494 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,2,0,0,0,0|0,0,2]=4 2495 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,2,0,0,0,0|0,0,2]=4 2496 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,2,0,0,0,0|0,0,2]=4 2497 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,2,0,0,0,0|0,0,2]=4 2498 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,2,0,0,0,0|0,0,2]=4 2499 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,2,0,0,0,0|0,0,2]=4 2500 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,2,0,0,0,0|0,0,2]=4 2501 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,2,0,0,0,0|0,0,2]=4 2502 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,2,0,0,0,0|0,0,2]=4 2503 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,2,0,0,0,0|0,0,2]=4 2504 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,2,0,0,0,0|1,0,1]=4 2505 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,2,0,0,0,0|1,0,1]=4 2506 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,2,0,0,0,0|1,0,1]=4 2507 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,2,0,0,0,0|1,0,1]=4 2508 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,2,0,0,0,0|1,0,1]=4 2509 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,2,0,0,0,0|1,0,1]=4 2510 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,2,0,0,0,0|1,0,1]=4 2511 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,2,0,0,0,0|1,0,1]=4 2512 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,2,0,0,0,0|1,0,1]=4 2513 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,2,0,0,0,0|1,0,1]=4 2514 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,2,0,0,0,0|1,0,1]=4 2515 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,2,0,0,0,0|1,0,1]=4 2516 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,2,0,0,0,0|1,0,1]=4 2517 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,2,0,0,0,0|1,0,1]=4 2518 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,2,0,0,0,0|1,0,1]=4 2519 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,2,0,0,0,0|1,0,1]=4 2520 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,2,0,0,0,0|1,0,1]=4 2521 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [0,2,0,0,0,0|1,0,1]=4 2522 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,2,0,0,0,0|1,0,1]=4 2523 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,2,0,0,0,0|1,0,1]=4 2524 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [0,2,0,0,0,0|0,0,2]=4 2525 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [0,2,0,0,0,0|1,0,1]=4 2526 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [0,2,0,0,0,0|1,0,1]=4 2527 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [0,2,0,0,0,0|1,0,1]=4 2528 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [0,2,0,0,0,0|1,0,1]=4 2529 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [0,2,0,0,0,0|0,0,0]=2 2530 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [0,2,0,0,0,0|0,0,0]=2 2531 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [0,2,0,0,0,0|0,0,0]=2 2532 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-2438491537 [0,2,0,0,0,0|0,0,1]=3 2533 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-8550303604 [0,2,0,0,0,0|0,0,1]=3 2534 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [0,2,0,0,0,0|0,0,0]=2 2535 B7R0.4 C/C=C/COC(=O)C MCULE-4948306153 [0,2,0,0,0,0|1,0,0]=3 2536 B7R0.4 C=C(C)CCC=CC MCULE-7970794651 [0,2,0,0,0,0|2,0,0]=4 2537 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [0,2,0,0,0,0|0,0,2]=4 2538 B7R0.4 C=CC=COC(=O)C MCULE-8556263077 [0,2,0,0,0,0|1,0,1]=4 2539 B7R0.4 C=CC=NNC(=O)N MCULE-6611985512 [0,2,0,0,0,0|1,0,1]=4 2540 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [0,2,0,0,0,0|0,0,2]=4 2541 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [0,2,0,0,0,0|0,0,2]=4 2542 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [0,2,0,0,0,0|0,0,2]=4 2543 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [0,2,0,0,0,0|0,0,2]=4 2544 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [0,2,0,0,0,0|0,0,2]=4 2545 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [0,2,0,0,0,0|0,0,2]=4 2546 B7R0.4 CC=CC=CC(=O)C MCULE-1781846029 [0,2,0,0,0,0|1,0,0]=3 2547 B7R0.4 CC=CC=CC(=O)Cl MCULE-7711381941 [0,2,0,0,0,0|1,0,0]=3 2548 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [0,2,0,0,0,0|0,0,0]=2 2549 B7R0.4 CC=CC=CC(=O)[O-] MCULE-4983552708 [0,2,0,0,0,0|0,0,1]=3 2550 B7R0.4 CC=CC=CC(=O)[O-] MCULE-7794252065 [0,2,0,0,0,0|0,0,1]=3 2551 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [0,2,0,0,0,0|0,0,0]=2 2552 B7R0.4 CCC/C=C/B(O)O MCULE-9613885434 [0,2,0,0,0,0|1,0,1]=4 2553 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [0,2,0,0,0,0|1,0,0]=3 2554 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [0,2,0,0,0,0|0,0,0]=2 2555 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [0,2,0,0,0,0|0,0,2]=4 2556 B7R0.4 CCCC=CB(O)O MCULE-4057687975 [0,2,0,0,0,0|1,0,1]=4 2557 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [0,2,0,0,0,0|1,0,0]=3 2558 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [0,2,0,0,0,0|1,0,0]=3 2559 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [0,2,0,0,0,0|0,0,0]=2 2560 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [0,2,0,0,0,0|0,0,2]=4 2561 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [0,2,0,0,0,0|0,0,2]=4 2562 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [0,2,0,0,0,0|0,0,2]=4 2563 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [0,2,0,0,0,0|0,0,2]=4 2564 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [0,2,0,0,0,0|0,0,2]=4 2565 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [0,2,0,0,0,0|0,0,2]=4 2566 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [0,2,0,0,0,0|0,0,2]=4 2567 B7R0.4 CCO/C=C/C(=N)N MCULE-5385104731 [0,2,0,0,0,0|2,0,0]=4 2568 B7R0.4 CCO/C=C/C(=N)N MCULE-9722827005 [0,2,0,0,0,0|2,0,0]=4 2569 B7R0.4 CCO/C=C/C(=O)Cl MCULE-5623807124 [0,2,0,0,0,0|1,0,0]=3 2570 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [0,2,0,0,0,0|0,0,0]=2 2571 B7R0.4 CCOC=CB(O)O MCULE-6808942248 [0,2,0,0,0,0|1,0,1]=4 2572 B7R0.4 CCOC=CC(=O)Cl MCULE-1242349133 [0,2,0,0,0,0|1,0,0]=3 2573 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [0,2,0,0,0,0|0,0,0]=2 2574 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [0,2,0,0,0,0|0,0,2]=4 2575 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [0,2,0,0,0,0|0,0,2]=4 2576 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [0,2,0,0,0,0|0,0,2]=4 2577 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [0,2,0,0,0,0|0,0,2]=4 2578 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [0,2,0,0,0,0|0,0,0]=2 2579 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [0,2,0,0,0,0|0,0,2]=4 2580 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [0,2,0,0,0,0|0,0,0]=2 2581 B7R0.4 COCCCC(=O)O MCULE-3165881573 [0,2,0,0,0,0|0,0,2]=4 2582 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [0,2,0,0,0,0|0,0,0]=2 2583 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [0,2,0,0,0,0|0,0,2]=4 2584 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [0,2,0,0,0,0|0,0,2]=4 2585 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [0,2,0,0,0,0|0,0,2]=4 2586 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [0,2,0,0,0,0|1,0,1]=4 2587 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,2,0,0,0,0|0,0,2]=4 2588 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,2,0,0,0,0|0,0,2]=4 2589 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,2,0,0,0,0|0,0,2]=4 2590 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,2,0,0,0,0|0,0,2]=4 2591 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [0,2,0,0,0,0|0,0,2]=4 2592 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [0,2,0,0,0,0|0,0,2]=4 2593 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [0,2,0,0,0,0|0,0,2]=4 2594 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [0,2,0,0,0,0|0,0,2]=4 2595 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,2,0,0,0,0|0,0,2]=4 2596 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,2,0,0,0,0|0,0,2]=4 2597 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [0,2,0,0,0,0|0,0,2]=4 2598 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [0,2,0,0,0,0|0,0,2]=4 2599 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [0,2,0,0,0,0|0,0,2]=4 2600 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [0,2,0,0,0,0|1,0,0]=3 2601 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [0,2,0,0,0,0|0,0,2]=4 2602 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [0,2,0,0,0,0|0,0,2]=4 2603 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [0,2,0,0,0,0|0,0,2]=4 2604 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [0,2,0,0,0,0|0,0,2]=4 2605 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [0,2,0,0,0,0|0,0,2]=4 2606 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [0,2,0,0,0,0|0,0,2]=4 2607 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [0,2,0,0,0,0|0,0,2]=4 2608 B7R0.4 O=C(O)COCCF MCULE-9820799514 [0,2,0,0,0,0|0,0,2]=4 2609 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,2,0,0,0,0|0,0,2]=4 2610 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [0,2,0,0,0,0|0,0,2]=4 2611 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [0,2,0,0,0,0|0,0,2]=4 2612 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [0,2,0,0,0,0|0,0,2]=4 2613 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,2,0,0,0,0|0,0,2]=4 2614 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,2,0,0,0,0|1,0,1]=4 2615 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,2,0,0,0,0|1,0,1]=4 2616 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,2,0,0,0,0|0,0,1]=3 2617 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,2,0,0,0,0|1,0,1]=4 2618 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,2,0,0,0,0|0,0,1]=3 2619 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,2,0,0,0,0|0,0,2]=4 2620 B7R0.6 CC(=CC=C(C)C)C MCULE-9852692083 [0,2,0,0,0,0|2,0,0]=4 2621 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,2,0,0,0,0|0,0,0]=2 2622 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,2,0,0,0,0|0,0,1]=3 2623 B7R0.6 CC(=NNC(=O)N)C MCULE-9452330207 [0,2,0,0,0,0|2,0,0]=4 2624 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,2,0,0,0,0|0,0,0]=2 2625 B7R0.6 CC(=O)/C=C/N(C)C MCULE-7703636114 [0,2,0,0,0,0|1,0,0]=3 2626 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [0,2,0,0,0,0|1,0,0]=3 2627 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [0,2,0,0,0,0|1,0,0]=3 2628 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,2,0,0,0,0|0,0,0]=2 2629 B7R0.6 CC(=O)C=CC(C)C MCULE-7908862390 [0,2,0,0,0,0|1,0,0]=3 2630 B7R0.6 CC(=O)C=CN(C)C MCULE-2800987098 [0,2,0,0,0,0|1,0,0]=3 2631 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,2,0,0,0,0|1,0,1]=4 2632 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,2,0,0,0,0|1,0,1]=4 2633 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,2,0,0,0,0|0,0,1]=3 2634 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,2,0,0,0,0|0,0,2]=4 2635 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,2,0,0,0,0|1,0,1]=4 2636 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,2,0,0,0,0|1,0,1]=4 2637 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,2,0,0,0,0|1,0,1]=4 2638 B7R0.6 CC(=O)NC=C(Cl)Cl MCULE-8744236684 [0,2,0,0,0,0|2,0,0]=4 2639 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,2,0,0,0,0|1,0,1]=4 2640 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,2,0,0,0,0|1,0,1]=4 2641 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,2,0,0,0,0|0,0,1]=3 2642 B7R0.6 CC(=O)NN=C(C)C MCULE-9759901228 [0,2,0,0,0,0|2,0,0]=4 2643 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [0,2,0,0,0,0|2,0,0]=4 2644 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,2,0,0,0,0|1,0,1]=4 2645 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,2,0,0,0,0|0,0,1]=3 2646 B7R0.6 CC(=O)ON=C(C)C MCULE-4373487613 [0,2,0,0,0,0|2,0,0]=4 2647 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,2,0,0,0,0|0,0,1]=3 2648 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,2,0,0,0,0|0,0,1]=3 2649 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,2,0,0,0,0|0,0,0]=2 2650 B7R0.6 CC(C)/C=C/N(=O)=O MCULE-8386755735 [0,2,0,0,0,0|1,0,1]=4 2651 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [0,2,0,0,0,0|0,0,2]=4 2652 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,2,0,0,0,0|0,0,0]=2 2653 B7R0.6 CC(C)C=C[N+](=O)[O-] MCULE-1892466644 [0,2,0,0,0,0|1,0,1]=4 2654 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,2,0,0,0,0|0,0,2]=4 2655 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,2,0,0,0,0|0,0,2]=4 2656 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,2,0,0,0,0|0,0,2]=4 2657 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,2,0,0,0,0|0,0,2]=4 2658 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,2,0,0,0,0|0,0,2]=4 2659 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,2,0,0,0,0|0,0,2]=4 2660 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,2,0,0,0,0|0,0,2]=4 2661 B7R0.6 CC(O)C=CC(C)O MCULE-1362403822 [0,2,0,0,0,0|1,0,1]=4 2662 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,2,0,0,0,0|0,0,2]=4 2663 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,2,0,0,0,0|0,0,2]=4 2664 B7R0.6 CN(C)/C=C/N(=O)=O MCULE-7969743170 [0,2,0,0,0,0|1,0,1]=4 2665 B7R0.6 CN(C)C=CC(=S)N MCULE-7137295535 [0,2,0,0,0,0|1,1,0]=4 2666 B7R0.6 CN(C)C=C[N+](=O)[O-] MCULE-6966490578 [0,2,0,0,0,0|1,0,1]=4 2667 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,2,0,0,0,0|0,0,2]=4 2668 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,2,0,0,0,0|0,0,2]=4 2669 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,2,0,0,0,0|0,0,2]=4 2670 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,2,0,0,0,0|0,0,2]=4 2671 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,2,0,0,0,0|0,0,2]=4 2672 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,2,0,0,0,0|0,0,2]=4 2673 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,2,0,0,0,0|0,0,2]=4 2674 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,2,0,0,0,0|0,0,2]=4 2675 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,2,0,0,0,0|0,0,2]=4 2676 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,2,0,0,0,0|0,0,2]=4 2677 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,2,0,0,0,0|0,0,2]=4 2678 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,2,0,0,0,0|0,0,2]=4 2679 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,2,0,0,0,0|1,0,1]=4 2680 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,2,0,0,0,0|1,0,1]=4 2681 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,2,0,0,0,0|1,0,1]=4 2682 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,2,0,0,0,0|1,0,1]=4 2683 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,2,0,0,0,0|1,0,1]=4 2684 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,2,0,0,0,0|0,0,1]=3 2685 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,2,0,0,0,0|0,0,1]=3 2686 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,2,0,0,0,0|1,0,1]=4 2687 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,2,0,0,0,0|0,0,1]=3 2688 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,2,0,0,0,0|1,0,1]=4 2689 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,2,0,0,0,0|1,0,1]=4 2690 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,2,0,0,0,0|1,0,1]=4 2691 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,2,0,0,0,0|1,0,1]=4 2692 B7R0.6 O=C(Cl)/C=C/C(=O)Cl MCULE-6214609191 [0,2,0,0,0,0|1,0,1]=4 2693 B7R0.6 O=C(Cl)C=CC(=O)Cl MCULE-7022763562 [0,2,0,0,0,0|1,0,1]=4 2694 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,2,0,0,0,0|0,0,1]=3 2695 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,2,0,0,0,0|0,0,1]=3 2696 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,2,0,0,0,0|0,0,1]=3 2697 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,2,0,0,0,0|1,0,1]=4 2698 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,2,0,0,0,0|0,0,1]=3 2699 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,2,0,0,0,0|0,0,1]=3 2700 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,2,0,0,0,0|0,0,1]=3 2701 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,2,0,0,0,0|0,0,1]=3 2702 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,2,0,0,0,0|0,0,1]=3 2703 B7R0.6 O=C(O)C=CC(F)F MCULE-5853046592 [0,2,0,0,0,0|0,0,0]=2 2704 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,2,0,0,0,0|1,0,1]=4 2705 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,2,0,0,0,0|1,0,1]=4 2706 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,2,0,0,0,0|0,0,2]=4 2707 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,2,0,0,0,0|1,0,1]=4 2708 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,2,0,0,0,0|1,0,1]=4 2709 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,2,0,0,0,0|2,0,0]=4 2710 B7R0.6 O=C([O-])/C=C/C(=O)[O-] MCULE-2177227992 [0,2,0,0,0,0|0,0,2]=4 2711 B7R0.6 O=C([O-])C#CC(=O)O MCULE-8275918466 [0,2,0,0,0,0|1,0,1]=4 2712 B7R0.6 O=C([O-])C=CC(=O)[O-] MCULE-1618249570 [0,2,0,0,0,0|0,0,2]=4 2713 B7R0.6 O=C([O-])C=CC([O-])O MCULE-6492820393 [0,2,0,0,0,0|0,0,1]=3 2714 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,2,0,0,0,0|1,0,1]=4 2715 B7R0.8 CC/C=C/P(=O)(O)O MCULE-7978096920 [0,2,0,0,0,0|1,0,0]=3 2716 B7R0.8 COC=CS(=O)(=O)F MCULE-5868691047 [0,2,0,0,0,0|1,0,1]=4 2717 B7R0.8 CS(=O)(=O)C=CCBr MCULE-2706306694 [0,2,0,0,0,0|1,0,1]=4 2718 B7R0.8 CS(=O)(=O)C=CCN MCULE-2459661826 [0,2,0,0,0,0|1,0,1]=4 2719 B7R0.8 CS(=O)(=O)C=CCN MCULE-8330183267 [0,2,0,0,0,0|1,0,1]=4 2720 B7R0.8 O=S(=O)([O-])C=CCO MCULE-6757258095 [0,2,0,0,0,0|1,0,1]=4 2721 B7R0.8 O=S(=O)([O-])C=CCO MCULE-8698576668 [0,2,0,0,0,0|1,0,1]=4 2722 B5R1.2 BrC1=CCC1 MCULE-7839710306 [1,0,0,1,0,0|2,0,0]=4 2723 B5R1.2 O=C1CCC1 MCULE-4870967355 [1,0,0,1,0,0|1,0,1]=4 2724 B5R1.2 O=C1CCN1 MCULE-9053067221 [1,0,0,1,0,0|1,0,1]=4 2725 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,1,0,0|0,0,1]=3 2726 B5R1.3 C=CC1CO1 MCULE-1428696186 [1,0,0,1,0,0|1,0,1]=4 2727 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [1,0,0,1,0,0|1,0,1]=4 2728 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [1,0,0,1,0,0|1,0,1]=4 2729 B5R1.1 C1=CCC=C1 MCULE-1776679581 [1,0,0,1,0,0|1,0,0]=3 2730 B5R1.1 C1=CCCC1 MCULE-8785635218 [1,0,0,1,0,0|1,0,1]=4 2731 B5R1.1 C1=CCNC1 MCULE-4645888757 [1,0,0,1,0,0|1,0,1]=4 2732 B5R1.1 C1=CCNC1 MCULE-7386427096 [1,0,0,1,0,0|1,0,1]=4 2733 B5R1.1 C1=CCOC1 MCULE-1252378718 [1,0,0,1,0,0|0,0,1]=3 2734 B5R1.1 C1=CCSC1 MCULE-7848219599 [1,0,0,1,0,0|0,1,1]=4 2735 B5R1.1 C1=CNC=C1 MCULE-7417495535 [1,0,0,1,0,0|1,0,1]=4 2736 B5R1.1 C1=CNN=C1 MCULE-9342475145 [1,0,0,1,0,0|2,0,0]=4 2737 B5R1.1 C1=COC=C1 MCULE-6076190179 [1,0,0,1,0,0|0,0,1]=3 2738 B5R1.1 C1=COC=N1 MCULE-4239266587 [1,0,0,1,0,0|1,0,1]=4 2739 B5R1.1 C1=COCC1 MCULE-7714726225 [1,0,0,1,0,0|0,0,1]=3 2740 B5R1.1 C1=CON=C1 MCULE-4177650025 [1,0,0,1,0,0|1,0,0]=3 2741 B5R1.1 C1=CSC=C1 MCULE-5759025979 [1,0,0,1,0,0|0,1,1]=4 2742 B5R1.1 C1=CSN=C1 MCULE-7711497319 [1,0,0,1,0,0|1,1,0]=4 2743 B5R1.1 C1=C[Se]C=C1 MCULE-2438977476 [1,0,0,1,0,0|0,1,1]=4 2744 B7R1.1 BrCC1=CC=CO1 MCULE-5096860465 [0,1,0,1,0,0|1,0,1]=4 2745 B7R1.1 BrCC1=CC=NO1 MCULE-4124334018 [0,1,0,1,0,0|2,0,0]=4 2746 B7R1.1 C#CC1=CC=CO1 MCULE-9828059853 [0,1,0,1,0,0|1,0,1]=4 2747 B7R1.1 C=CC1=CC=CO1 MCULE-1348308043 [0,1,0,1,0,0|1,0,1]=4 2748 B7R1.1 CCC1=CC=CO1 MCULE-6819919667 [0,1,0,1,0,0|1,0,1]=4 2749 B7R1.1 CCC1=CC=NO1 MCULE-9851288273 [0,1,0,1,0,0|2,0,0]=4 2750 B7R1.1 COC1=CC=CO1 MCULE-4991744131 [0,1,0,1,0,0|0,0,2]=4 2751 B7R1.1 COC1=CC=CS1 MCULE-9593910029 [0,1,0,1,0,0|0,1,1]=4 2752 B7R1.1 COC1=CCCC1 MCULE-6260649761 [0,1,0,1,0,0|1,0,1]=4 2753 B7R1.1 COC1=CCCN1 MCULE-6283476666 [0,1,0,1,0,0|1,0,1]=4 2754 B7R1.1 COC1=COC=C1 MCULE-7798852925 [0,1,0,1,0,0|2,0,0]=4 2755 B7R1.1 COC1=CSC=C1 MCULE-3476811638 [0,1,0,1,0,0|2,0,0]=4 2756 B7R1.1 COC1=NNC=C1 MCULE-5382090787 [0,1,0,1,0,0|2,0,0]=4 2757 B7R1.1 COC1=NSC=C1 MCULE-5378872433 [0,1,0,1,0,0|2,0,0]=4 2758 B7R1.1 CSC1=CC=CO1 MCULE-6438587509 [0,1,0,1,0,0|0,1,1]=4 2759 B7R1.1 ClCC1=CC=CO1 MCULE-2683635266 [0,1,0,1,0,0|1,0,1]=4 2760 B7R1.1 ClCC1=CC=NO1 MCULE-5240884287 [0,1,0,1,0,0|2,0,0]=4 2761 B7R1.1 ICC1=CC=CO1 MCULE-7510696289 [0,1,0,1,0,0|1,0,1]=4 2762 B7R1.1 N#CC1=CC=CO1 MCULE-5841072941 [0,1,0,1,0,0|1,0,1]=4 2763 B7R1.1 N#CC1=CC=NO1 MCULE-7077626645 [0,1,0,1,0,0|2,0,0]=4 2764 B7R1.1 NCC1=CC=CO1 MCULE-3035218209 [0,1,0,1,0,0|1,0,1]=4 2765 B7R1.1 NCC1=CC=CO1 MCULE-8280847881 [0,1,0,1,0,0|1,0,1]=4 2766 B7R1.1 NCC1=CC=NO1 MCULE-4504896342 [0,1,0,1,0,0|2,0,0]=4 2767 B7R1.1 NCC1=CC=NO1 MCULE-6113708508 [0,1,0,1,0,0|2,0,0]=4 2768 B7R1.1 NOC1=CC=CO1 MCULE-1613438607 [0,1,0,1,0,0|0,0,2]=4 2769 B7R1.1 NOC1=CC=CO1 MCULE-4830480468 [0,1,0,1,0,0|0,0,2]=4 2770 B7R1.1 NOC1=CC=CS1 MCULE-4858455315 [0,1,0,1,0,0|0,1,1]=4 2771 B7R1.1 NOC1=CC=CS1 MCULE-9161289584 [0,1,0,1,0,0|0,1,1]=4 2772 B7R1.1 O=CC1=CC=CN1 MCULE-4586543663 [0,1,0,1,0,0|1,0,1]=4 2773 B7R1.1 O=CC1=CC=CO1 MCULE-5757882837 [0,1,0,1,0,0|0,0,1]=3 2774 B7R1.1 O=CC1=CC=CS1 MCULE-8254409353 [0,1,0,1,0,0|0,1,1]=4 2775 B7R1.1 O=CC1=CC=C[Se]1 MCULE-2409744709 [0,1,0,1,0,0|0,1,1]=4 2776 B7R1.1 O=CC1=CC=NO1 MCULE-9603824695 [0,1,0,1,0,0|1,0,0]=3 2777 B7R1.1 O=CC1=CC=NS1 MCULE-1236687243 [0,1,0,1,0,0|1,1,0]=4 2778 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [0,1,0,1,0,0|1,0,1]=4 2779 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [0,1,0,1,0,0|0,0,1]=3 2780 B7R1.1 O=CC1=CN=CO1 MCULE-7235306258 [0,1,0,1,0,0|1,0,1]=4 2781 B7R1.1 O=CC1=CNC=C1 MCULE-2454944558 [0,1,0,1,0,0|2,0,0]=4 2782 B7R1.1 O=CC1=COC=C1 MCULE-4433731812 [0,1,0,1,0,0|2,0,0]=4 2783 B7R1.1 O=CC1=CSC=C1 MCULE-4096224591 [0,1,0,1,0,0|2,0,0]=4 2784 B7R1.1 O=CC1=NC=CO1 MCULE-6908871529 [0,1,0,1,0,0|1,0,1]=4 2785 B7R1.1 O=CC1=NNC=C1 MCULE-5970837649 [0,1,0,1,0,0|2,0,0]=4 2786 B7R1.1 O=CC1=NOC=C1 MCULE-6315054980 [0,1,0,1,0,0|2,0,0]=4 2787 B7R1.1 O=CC1=NSC=C1 MCULE-2006644927 [0,1,0,1,0,0|2,0,0]=4 2788 B7R1.1 O=S=C1NC=CO1 MCULE-4980537256 [0,1,0,1,0,0|1,0,1]=4 2789 B7R1.1 OCC1=CC=CN1 MCULE-5325446270 [0,1,0,1,0,0|1,0,1]=4 2790 B7R1.1 OCC1=CC=CO1 MCULE-4977977402 [0,1,0,1,0,0|0,0,2]=4 2791 B7R1.1 OCC1=CC=CS1 MCULE-8365761000 [0,1,0,1,0,0|0,1,1]=4 2792 B7R1.1 OCC1=CC=NN1 MCULE-9206734976 [0,1,0,1,0,0|2,0,0]=4 2793 B7R1.1 OCC1=CC=NO1 MCULE-9887136642 [0,1,0,1,0,0|1,0,1]=4 2794 B7R1.1 OCC1=CC=NS1 MCULE-5309327051 [0,1,0,1,0,0|1,1,0]=4 2795 B7R1.1 OCC1=CCCC1 MCULE-8850570361 [0,1,0,1,0,0|1,0,1]=4 2796 B7R1.1 OCC1=CNC=C1 MCULE-3286092527 [0,1,0,1,0,0|2,0,0]=4 2797 B7R1.1 OCC1=COC=C1 MCULE-1188853308 [0,1,0,1,0,0|2,0,0]=4 2798 B7R1.1 OCC1=CSC=C1 MCULE-5715575511 [0,1,0,1,0,0|2,0,0]=4 2799 B7R1.1 OCC1=NNC=C1 MCULE-7625791296 [0,1,0,1,0,0|2,0,0]=4 2800 B7R1.1 OCC1=NOC=C1 MCULE-3216265153 [0,1,0,1,0,0|2,0,0]=4 2801 B7R1.1 OCC1=NSC=C1 MCULE-8963767199 [0,1,0,1,0,0|2,0,0]=4 2802 B7R1.1 OCC1C=CCC1 MCULE-1237002603 [0,1,0,1,0,0|1,0,1]=4 2803 B7R1.1 OCC1C=CCN1 MCULE-1461746159 [0,1,0,1,0,0|1,0,1]=4 2804 B7R1.1 OCC1C=CCN1 MCULE-5814337815 [0,1,0,1,0,0|1,0,1]=4 2805 B7R1.1 SCC1=CC=CO1 MCULE-3419389361 [0,1,0,1,0,0|0,1,1]=4 2806 B7R1.2 BrC1=CC=C(O1)Br MCULE-3006502201 [0,1,0,1,0,0|1,0,1]=4 2807 B7R1.2 BrC1=COC(=C1)Br MCULE-2229692941 [0,1,0,1,0,0|1,0,1]=4 2808 B7R1.2 BrC1=NC=C(O1)I MCULE-3868467296 [0,1,0,1,0,0|2,0,0]=4 2809 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,1,0,1,0,0|1,0,1]=4 2810 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [0,1,0,1,0,0|0,0,1]=3 2811 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,1,0,1,0,0|0,0,2]=4 2812 B7R1.2 CC1=CC(=CO1)Br MCULE-1365881695 [0,1,0,1,0,0|1,0,0]=3 2813 B7R1.2 CC1=CC(=CS1)Br MCULE-9701843608 [0,1,0,1,0,0|1,1,0]=4 2814 B7R1.2 CC1=CC(=CS1)Cl MCULE-1661832667 [0,1,0,1,0,0|1,1,0]=4 2815 B7R1.2 CC1=CC(=CS1)N MCULE-4677626148 [0,1,0,1,0,0|1,1,0]=4 2816 B7R1.2 CC1=CC(=CS1)N MCULE-4954759044 [0,1,0,1,0,0|1,1,0]=4 2817 B7R1.2 CC1=CC(=NN1)Br MCULE-1516612696 [0,1,0,1,0,0|2,0,0]=4 2818 B7R1.2 CC1=CC(=NN1)C MCULE-4873265902 [0,1,0,1,0,0|2,0,0]=4 2819 B7R1.2 CC1=CC(=NN1)C MCULE-8100496522 [0,1,0,1,0,0|2,0,0]=4 2820 B7R1.2 CC1=CC(=NN1)F MCULE-1447632064 [0,1,0,1,0,0|2,0,0]=4 2821 B7R1.2 CC1=CC(=NN1)F MCULE-6096639447 [0,1,0,1,0,0|2,0,0]=4 2822 B7R1.2 CC1=CC(=NN1)I MCULE-9212614137 [0,1,0,1,0,0|2,0,0]=4 2823 B7R1.2 CC1=CC(=NO1)Br MCULE-8203630178 [0,1,0,1,0,0|1,0,0]=3 2824 B7R1.2 CC1=CC(=NO1)C MCULE-5128459474 [0,1,0,1,0,0|1,0,0]=3 2825 B7R1.2 CC1=CC(=NO1)N MCULE-4538523254 [0,1,0,1,0,0|1,0,0]=3 2826 B7R1.2 CC1=CC(=NS1)N MCULE-2006841208 [0,1,0,1,0,0|1,1,0]=4 2827 B7R1.2 CC1=CC(=NS1)N MCULE-5644544748 [0,1,0,1,0,0|1,1,0]=4 2828 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,1,0,1,0,0|1,0,0]=3 2829 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,1,0,1,0,0|0,0,0]=2 2830 B7R1.2 CC1=CC(=O)N=N1 MCULE-8356895370 [0,1,0,1,0,0|1,0,0]=3 2831 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,1,0,1,0,0|0,0,0]=2 2832 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,1,0,1,0,0|0,0,0]=2 2833 B7R1.2 CC1=CC=C(N1)C MCULE-2630115640 [0,1,0,1,0,0|2,0,0]=4 2834 B7R1.2 CC1=CC=C(N1)Cl MCULE-6650692655 [0,1,0,1,0,0|2,0,0]=4 2835 B7R1.2 CC1=CC=C(O1)Br MCULE-2815956180 [0,1,0,1,0,0|1,0,0]=3 2836 B7R1.2 CC1=CC=C(O1)C MCULE-2776549830 [0,1,0,1,0,0|1,0,0]=3 2837 B7R1.2 CC1=CC=C(O1)N MCULE-5583871788 [0,1,0,1,0,0|1,0,0]=3 2838 B7R1.2 CC1=CC=C(S1)Br MCULE-9870970320 [0,1,0,1,0,0|1,1,0]=4 2839 B7R1.2 CC1=CC=C(S1)C MCULE-6651491312 [0,1,0,1,0,0|1,1,0]=4 2840 B7R1.2 CC1=CC=C(S1)C MCULE-7283016932 [0,1,0,1,0,0|1,1,0]=4 2841 B7R1.2 CC1=CC=C(S1)Cl MCULE-9463412923 [0,1,0,1,0,0|1,1,0]=4 2842 B7R1.2 CC1=CC=C(S1)I MCULE-3339364572 [0,1,0,1,0,0|1,1,0]=4 2843 B7R1.2 CC1=CC=C(S1)N MCULE-1672887913 [0,1,0,1,0,0|1,1,0]=4 2844 B7R1.2 CC1=CC=C(S1)N MCULE-4947745341 [0,1,0,1,0,0|1,1,0]=4 2845 B7R1.2 CC1=CC=C(S1)O MCULE-7587913788 [0,1,0,1,0,0|0,1,0]=3 2846 B7R1.2 CC1=CC=C(S1)S MCULE-9072205252 [0,1,0,1,0,0|0,2,0]=4 2847 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,1,0,1,0,0|0,0,0]=2 2848 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,1,0,1,0,0|0,0,0]=2 2849 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,1,0,1,0,0|0,1,0]=3 2850 B7R1.2 CC1=CN=C(N1)N MCULE-5849111364 [0,1,0,1,0,0|2,0,0]=4 2851 B7R1.2 CC1=CN=C(N1)N MCULE-9885122590 [0,1,0,1,0,0|2,0,0]=4 2852 B7R1.2 CC1=CN=C(O1)Br MCULE-3952379614 [0,1,0,1,0,0|1,0,0]=3 2853 B7R1.2 CC1=CN=C(O1)C MCULE-8416988900 [0,1,0,1,0,0|1,0,0]=3 2854 B7R1.2 CC1=CN=C(O1)Cl MCULE-1762464687 [0,1,0,1,0,0|1,0,0]=3 2855 B7R1.2 CC1=CN=C(O1)Cl MCULE-3921580627 [0,1,0,1,0,0|1,0,0]=3 2856 B7R1.2 CC1=CN=C(O1)I MCULE-4568617242 [0,1,0,1,0,0|1,0,0]=3 2857 B7R1.2 CC1=CN=C(O1)N MCULE-5846833894 [0,1,0,1,0,0|1,0,0]=3 2858 B7R1.2 CC1=CN=C(S1)Br MCULE-5024376122 [0,1,0,1,0,0|1,1,0]=4 2859 B7R1.2 CC1=CN=C(S1)C MCULE-9725720944 [0,1,0,1,0,0|1,1,0]=4 2860 B7R1.2 CC1=CN=C(S1)Cl MCULE-4868939891 [0,1,0,1,0,0|1,1,0]=4 2861 B7R1.2 CC1=CN=C(S1)I MCULE-2496302523 [0,1,0,1,0,0|1,1,0]=4 2862 B7R1.2 CC1=CN=C(S1)N MCULE-5408259983 [0,1,0,1,0,0|1,1,0]=4 2863 B7R1.2 CC1=CN=C(S1)N MCULE-8973432865 [0,1,0,1,0,0|1,1,0]=4 2864 B7R1.2 CC1=CN=C(S1)O MCULE-4228024619 [0,1,0,1,0,0|0,1,0]=3 2865 B7R1.2 CC1=CNC(=C1)C MCULE-6480137920 [0,1,0,1,0,0|2,0,0]=4 2866 B7R1.2 CC1=CNC(=N1)Br MCULE-2148866894 [0,1,0,1,0,0|2,0,0]=4 2867 B7R1.2 CC1=CNC(=N1)C MCULE-1883967566 [0,1,0,1,0,0|2,0,0]=4 2868 B7R1.2 CC1=CNC(=N1)I MCULE-7172464469 [0,1,0,1,0,0|2,0,0]=4 2869 B7R1.2 CC1=CNC(=N1)N MCULE-2945170552 [0,1,0,1,0,0|2,0,0]=4 2870 B7R1.2 CC1=CNC(=N1)S MCULE-1670645296 [0,1,0,1,0,0|1,1,0]=4 2871 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [0,1,0,1,0,0|1,0,0]=3 2872 B7R1.2 CC1=COC(=C1)C MCULE-9104872009 [0,1,0,1,0,0|1,0,0]=3 2873 B7R1.2 CC1=COC(=N)N1 MCULE-2875662146 [0,1,0,1,0,0|2,0,0]=4 2874 B7R1.2 CC1=COC(=N1)Br MCULE-3628895128 [0,1,0,1,0,0|2,0,0]=4 2875 B7R1.2 CC1=COC(=N1)C MCULE-3626673481 [0,1,0,1,0,0|2,0,0]=4 2876 B7R1.2 CC1=COC(=N1)Cl MCULE-8812650506 [0,1,0,1,0,0|2,0,0]=4 2877 B7R1.2 CC1=COC(=N1)S MCULE-7659225823 [0,1,0,1,0,0|1,1,0]=4 2878 B7R1.2 CC1=CSC(=C1)Br MCULE-1301546959 [0,1,0,1,0,0|1,1,0]=4 2879 B7R1.2 CC1=CSC(=C1)C MCULE-9938369670 [0,1,0,1,0,0|1,1,0]=4 2880 B7R1.2 CC1=CSC(=C1)Cl MCULE-8287471659 [0,1,0,1,0,0|1,1,0]=4 2881 B7R1.2 CC1=CSC(=C1)N MCULE-6517545234 [0,1,0,1,0,0|1,1,0]=4 2882 B7R1.2 CC1=CSC(=C1)N MCULE-8640058932 [0,1,0,1,0,0|1,1,0]=4 2883 B7R1.2 CC1=CSC(=C1)O MCULE-1324476521 [0,1,0,1,0,0|0,1,0]=3 2884 B7R1.2 CC1=CSC(=N1)Br MCULE-2425418650 [0,1,0,1,0,0|2,0,0]=4 2885 B7R1.2 CC1=CSC(=N1)C MCULE-2033387460 [0,1,0,1,0,0|2,0,0]=4 2886 B7R1.2 CC1=CSC(=N1)Cl MCULE-4864147999 [0,1,0,1,0,0|2,0,0]=4 2887 B7R1.2 CC1=CSC(=N1)F MCULE-7988737526 [0,1,0,1,0,0|2,0,0]=4 2888 B7R1.2 CC1=CSC(=N1)I MCULE-5254623055 [0,1,0,1,0,0|2,0,0]=4 2889 B7R1.2 CC1=CSC(=N1)N MCULE-3421653397 [0,1,0,1,0,0|2,0,0]=4 2890 B7R1.2 CC1=CSC(=N1)N MCULE-6034667920 [0,1,0,1,0,0|2,0,0]=4 2891 B7R1.2 CC1=CSC(=N1)S MCULE-4701705565 [0,1,0,1,0,0|1,1,0]=4 2892 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [0,1,0,1,0,0|1,0,0]=3 2893 B7R1.2 CC1=NC(=CN1)Br MCULE-7128800979 [0,1,0,1,0,0|2,0,0]=4 2894 B7R1.2 CC1=NC(=CN1)I MCULE-3668066625 [0,1,0,1,0,0|2,0,0]=4 2895 B7R1.2 CC1=NC(=CO1)Br MCULE-4921013012 [0,1,0,1,0,0|2,0,0]=4 2896 B7R1.2 CC1=NC(=CS1)Br MCULE-7210746643 [0,1,0,1,0,0|2,0,0]=4 2897 B7R1.2 CC1=NC(=CS1)N MCULE-3086911944 [0,1,0,1,0,0|2,0,0]=4 2898 B7R1.2 CC1=NC(=CS1)N MCULE-4543325094 [0,1,0,1,0,0|2,0,0]=4 2899 B7R1.2 CC1=NC(=CS1)O MCULE-2657600711 [0,1,0,1,0,0|1,0,0]=3 2900 B7R1.2 CC1=NC(=NO1)Br MCULE-7579897482 [0,1,0,1,0,0|2,0,0]=4 2901 B7R1.2 CC1=NC(=NO1)Cl MCULE-6633327000 [0,1,0,1,0,0|2,0,0]=4 2902 B7R1.2 CC1=NC(=NO1)N MCULE-8189524601 [0,1,0,1,0,0|2,0,0]=4 2903 B7R1.2 CC1=NC(=O)N=N1 MCULE-2642903272 [0,1,0,1,0,0|2,0,0]=4 2904 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [0,1,0,1,0,0|2,0,0]=4 2905 B7R1.2 CC1=NC=C(O1)Br MCULE-1770948017 [0,1,0,1,0,0|1,0,0]=3 2906 B7R1.2 CC1=NC=C(O1)Br MCULE-4635846619 [0,1,0,1,0,0|1,0,0]=3 2907 B7R1.2 CC1=NC=C(O1)N MCULE-9670426348 [0,1,0,1,0,0|1,0,0]=3 2908 B7R1.2 CC1=NC=C(S1)Br MCULE-7258487155 [0,1,0,1,0,0|1,1,0]=4 2909 B7R1.2 CC1=NC=C(S1)Cl MCULE-5653448054 [0,1,0,1,0,0|1,1,0]=4 2910 B7R1.2 CC1=NC=C(S1)I MCULE-1452945094 [0,1,0,1,0,0|1,1,0]=4 2911 B7R1.2 CC1=NC=C(S1)N MCULE-2117348978 [0,1,0,1,0,0|1,1,0]=4 2912 B7R1.2 CC1=NC=C(S1)N MCULE-3448900159 [0,1,0,1,0,0|1,1,0]=4 2913 B7R1.2 CC1=NN(C=C1)C MCULE-4991402354 [0,1,0,1,0,0|2,0,0]=4 2914 B7R1.2 CC1=NN=C(O1)Br MCULE-4777799057 [0,1,0,1,0,0|2,0,0]=4 2915 B7R1.2 CC1=NN=C(O1)C MCULE-8675560585 [0,1,0,1,0,0|2,0,0]=4 2916 B7R1.2 CC1=NN=C(O1)Cl MCULE-9822886021 [0,1,0,1,0,0|2,0,0]=4 2917 B7R1.2 CC1=NN=C(O1)I MCULE-5284769897 [0,1,0,1,0,0|2,0,0]=4 2918 B7R1.2 CC1=NN=C(O1)N MCULE-4286573489 [0,1,0,1,0,0|2,0,0]=4 2919 B7R1.2 CC1=NN=C(O1)O MCULE-8136744513 [0,1,0,1,0,0|1,0,1]=4 2920 B7R1.2 CC1=NN=C(S1)O MCULE-6682631031 [0,1,0,1,0,0|1,1,0]=4 2921 B7R1.2 CC1=NNC(=C1)Cl MCULE-9047691966 [0,1,0,1,0,0|2,0,0]=4 2922 B7R1.2 CC1=NNC(=C1)I MCULE-7626013113 [0,1,0,1,0,0|2,0,0]=4 2923 B7R1.2 CC1=NNC(=C1)N MCULE-5982415678 [0,1,0,1,0,0|2,0,0]=4 2924 B7R1.2 CC1=NNC(=C1)N MCULE-8265446300 [0,1,0,1,0,0|2,0,0]=4 2925 B7R1.2 CC1=NNC(=C1)N MCULE-8755398394 [0,1,0,1,0,0|2,0,0]=4 2926 B7R1.2 CC1=NNC(=C1)O MCULE-6802545425 [0,1,0,1,0,0|1,0,0]=3 2927 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [0,1,0,1,0,0|1,0,1]=4 2928 B7R1.2 CC1=NNC(=S)O1 MCULE-1357179698 [0,1,0,1,0,0|1,1,0]=4 2929 B7R1.2 CC1=NOC(=C1)Br MCULE-6794061121 [0,1,0,1,0,0|1,0,0]=3 2930 B7R1.2 CC1=NOC(=C1)I MCULE-5795495546 [0,1,0,1,0,0|1,0,0]=3 2931 B7R1.2 CC1=NOC(=C1)N MCULE-2719601999 [0,1,0,1,0,0|1,0,0]=3 2932 B7R1.2 CC1=NOC(=C1)O MCULE-4469914138 [0,1,0,1,0,0|0,0,1]=3 2933 B7R1.2 CC1=NOC(=C1)[O-] MCULE-1851467961 [0,1,0,1,0,0|0,0,1]=3 2934 B7R1.2 CC1=NOC(=N1)Br MCULE-7788469211 [0,1,0,1,0,0|2,0,0]=4 2935 B7R1.2 CC1=NOC(=N1)N MCULE-7788127715 [0,1,0,1,0,0|2,0,0]=4 2936 B7R1.2 CC1=NOC(=N1)O MCULE-2537387972 [0,1,0,1,0,0|1,0,1]=4 2937 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,1,0,1,0,0|0,0,1]=3 2938 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,1,0,1,0,0|0,0,1]=3 2939 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,1,0,1,0,0|1,0,0]=3 2940 B7R1.2 CC1=NSC(=C1)Br MCULE-5311430268 [0,1,0,1,0,0|1,1,0]=4 2941 B7R1.2 CC1=NSC(=C1)Cl MCULE-3765249333 [0,1,0,1,0,0|1,1,0]=4 2942 B7R1.2 CC1=NSC(=C1)I MCULE-9076472601 [0,1,0,1,0,0|1,1,0]=4 2943 B7R1.2 CC1=NSC(=C1)N MCULE-1333657417 [0,1,0,1,0,0|1,1,0]=4 2944 B7R1.2 CC1=NSC(=C1)N MCULE-4917388600 [0,1,0,1,0,0|1,1,0]=4 2945 B7R1.2 CC1=NSC(=C1)N MCULE-8270730297 [0,1,0,1,0,0|1,1,0]=4 2946 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,1,0,1,0,0|0,0,0]=2 2947 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,1,0,1,0,0|0,0,2]=4 2948 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,1,0,1,0,0|0,0,2]=4 2949 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,1,0,1,0,0|0,0,2]=4 2950 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,1,0,1,0,0|0,0,2]=4 2951 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,1,0,1,0,0|1,0,1]=4 2952 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,1,0,1,0,0|0,0,2]=4 2953 B7R1.2 CN1C=C(C=N1)O MCULE-5086680033 [0,1,0,1,0,0|2,0,0]=4 2954 B7R1.2 CN1C=C(C=N1)O MCULE-5814110625 [0,1,0,1,0,0|2,0,0]=4 2955 B7R1.2 CN1C=CC(=C1)Br MCULE-2020278293 [0,1,0,1,0,0|2,0,0]=4 2956 B7R1.2 CN1C=CC(=C1)N MCULE-2805426691 [0,1,0,1,0,0|2,0,0]=4 2957 B7R1.2 CN1C=CC(=C1)N MCULE-3443863095 [0,1,0,1,0,0|2,0,0]=4 2958 B7R1.2 CN1C=CC(=C1)O MCULE-2504745844 [0,1,0,1,0,0|1,0,0]=3 2959 B7R1.2 CN1C=CC(=N1)Br MCULE-2140706128 [0,1,0,1,0,0|2,0,0]=4 2960 B7R1.2 CN1C=CC(=N1)Cl MCULE-7765518388 [0,1,0,1,0,0|2,0,0]=4 2961 B7R1.2 CN1C=CC(=N1)F MCULE-7853118859 [0,1,0,1,0,0|2,0,0]=4 2962 B7R1.2 CN1C=CC(=N1)I MCULE-4809829389 [0,1,0,1,0,0|2,0,0]=4 2963 B7R1.2 CN1C=CC(=N1)N MCULE-3298296740 [0,1,0,1,0,0|2,0,0]=4 2964 B7R1.2 CN1C=CC(=N1)N MCULE-8862989081 [0,1,0,1,0,0|2,0,0]=4 2965 B7R1.2 CN1C=CC(=N1)O MCULE-5118805950 [0,1,0,1,0,0|1,0,0]=3 2966 B7R1.2 CN1C=CC(=N1)S MCULE-9185539300 [0,1,0,1,0,0|1,1,0]=4 2967 B7R1.2 CN1C=NC(=O)N1 MCULE-8089843600 [0,1,0,1,0,0|2,0,0]=4 2968 B7R1.2 CN1N=CC(=O)N1 MCULE-1498333804 [0,1,0,1,0,0|2,0,0]=4 2969 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,1,0,1,0,0|0,0,2]=4 2970 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,1,0,1,0,0|0,0,2]=4 2971 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,1,0,1,0,0|0,0,2]=4 2972 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,1,0,1,0,0|0,0,2]=4 2973 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,1,0,1,0,0|0,0,2]=4 2974 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,1,0,1,0,0|1,0,1]=4 2975 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,1,0,1,0,0|1,0,1]=4 2976 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,1,0,1,0,0|0,0,2]=4 2977 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,1,0,1,0,0|0,0,2]=4 2978 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,1,0,1,0,0|0,0,2]=4 2979 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,1,0,1,0,0|0,0,2]=4 2980 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,1,0,1,0,0|1,0,1]=4 2981 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,1,0,1,0,0|1,0,1]=4 2982 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,1,0,1,0,0|0,0,2]=4 2983 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,1,0,1,0,0|0,0,2]=4 2984 B7R1.2 C[N+]1=NOC(=C1)[NH-] MCULE-6437900977 [0,1,0,1,0,0|2,0,0]=4 2985 B7R1.2 C[N+]1=NOC(=C1)[NH-] MCULE-9127857833 [0,1,0,1,0,0|2,0,0]=4 2986 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [0,1,0,1,0,0|1,1,0]=4 2987 B7R1.2 NC1=CC(=NO1)O MCULE-4713053247 [0,1,0,1,0,0|1,0,1]=4 2988 B7R1.2 NC1=CC(=NO1)[O-] MCULE-7908089596 [0,1,0,1,0,0|1,0,1]=4 2989 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,1,0,1,0,0|1,0,0]=3 2990 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,1,0,1,0,0|1,1,0]=4 2991 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [0,1,0,1,0,0|2,0,0]=4 2992 B7R1.2 NC1=NC(=CS1)O MCULE-3638877946 [0,1,0,1,0,0|2,0,0]=4 2993 B7R1.2 NC1=NC(=O)C=N1 MCULE-2020007120 [0,1,0,1,0,0|2,0,0]=4 2994 B7R1.2 NC1=NC(=O)C=N1 MCULE-3303233815 [0,1,0,1,0,0|2,0,0]=4 2995 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,1,0,1,0,0|2,0,0]=4 2996 B7R1.2 NC1C=CC(C1)O MCULE-1250487700 [0,1,0,1,0,0|1,0,1]=4 2997 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,1,0,1,0,0|0,0,2]=4 2998 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,1,0,1,0,0|0,0,2]=4 2999 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,1,0,1,0,0|0,0,2]=4 3000 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,1,0,1,0,0|0,0,2]=4 3001 B7R1.2 NC1N=CC(=O)S1 MCULE-9874802810 [0,1,0,1,0,0|1,1,0]=4 3002 B7R1.2 N[C@@H]1C=C[C@@H](C1)O MCULE-3439280280 [0,1,0,1,0,0|1,0,1]=4 3003 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,1,0,1,0,0|0,0,2]=4 3004 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,1,0,1,0,0|0,0,2]=4 3005 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,1,0,1,0,0|0,0,2]=4 3006 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,1,0,1,0,0|0,0,2]=4 3007 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-2880951702 [0,1,0,1,0,0|1,0,1]=4 3008 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-7715311088 [0,1,0,1,0,0|1,0,1]=4 3009 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,1,0,1,0,0|0,0,2]=4 3010 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,1,0,1,0,0|0,0,2]=4 3011 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,1,0,1,0,0|0,0,2]=4 3012 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,1,0,1,0,0|0,0,2]=4 3013 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,1,0,1,0,0|1,0,0]=3 3014 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,1,0,1,0,0|1,0,0]=3 3015 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,1,0,1,0,0|1,0,0]=3 3016 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,1,0,1,0,0|1,0,0]=3 3017 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [0,1,0,1,0,0|1,0,0]=3 3018 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,1,0,1,0,0|1,0,0]=3 3019 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,1,0,1,0,0|0,0,0]=2 3020 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,1,0,1,0,0|0,0,0]=2 3021 B7R1.2 O=C1C=C(SN1)Cl MCULE-6118293142 [0,1,0,1,0,0|1,1,0]=4 3022 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [0,1,0,1,0,0|1,0,1]=4 3023 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [0,1,0,1,0,0|1,0,1]=4 3024 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,1,0,1,0,0|0,0,1]=3 3025 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,1,0,1,0,0|1,0,0]=3 3026 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [0,1,0,1,0,0|0,0,0]=2 3027 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [0,1,0,1,0,0|0,0,0]=2 3028 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,1,0,1,0,0|1,0,0]=3 3029 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,1,0,1,0,0|1,0,0]=3 3030 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,1,0,1,0,0|0,0,2]=4 3031 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,1,0,1,0,0|0,0,2]=4 3032 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,1,0,1,0,0|0,0,2]=4 3033 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,1,0,1,0,0|1,0,1]=4 3034 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,1,0,1,0,0|2,0,0]=4 3035 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,1,0,1,0,0|1,0,1]=4 3036 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,1,0,1,0,0|0,0,2]=4 3037 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,1,0,1,0,0|0,0,2]=4 3038 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,1,0,1,0,0|1,0,1]=4 3039 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,1,0,1,0,0|2,0,0]=4 3040 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,1,0,1,0,0|1,0,1]=4 3041 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,1,0,1,0,0|2,0,0]=4 3042 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,1,0,1,0,0|0,0,1]=3 3043 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,1,0,1,0,0|1,0,0]=3 3044 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,1,0,1,0,0|1,0,0]=3 3045 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,1,0,1,0,0|1,1,0]=4 3046 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,1,0,1,0,0|0,0,2]=4 3047 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,1,0,1,0,0|0,0,2]=4 3048 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,1,0,1,0,0|0,0,2]=4 3049 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,1,0,1,0,0|0,0,2]=4 3050 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [0,1,0,1,0,0|2,0,0]=4 3051 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [0,1,0,1,0,0|1,1,0]=4 3052 B7R1.2 O=C1NC=C(S1)Cl MCULE-7571560638 [0,1,0,1,0,0|1,1,0]=4 3053 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [0,1,0,1,0,0|2,0,0]=4 3054 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,1,0,1,0,0|2,0,0]=4 3055 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,1,0,1,0,0|1,0,1]=4 3056 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,1,0,1,0,0|1,0,1]=4 3057 B7R1.2 OC1=CC=C(S1)Br MCULE-2888788322 [0,1,0,1,0,0|0,1,1]=4 3058 B7R1.2 OC1=NC(=CS1)Br MCULE-6006572224 [0,1,0,1,0,0|2,0,0]=4 3059 B7R1.2 OC1C=CC(C1)O MCULE-9792113599 [0,1,0,1,0,0|1,0,1]=4 3060 B7R1.2 O[C@@H]1C=C[C@@H](C1)O MCULE-7187295032 [0,1,0,1,0,0|1,0,1]=4 3061 B7R1.3 CC1=CC=CCC1 MCULE-3797800778 [0,1,0,1,0,0|2,0,0]=4 3062 B7R1.3 CC1=CCC=CC1 MCULE-8148706670 [0,1,0,1,0,0|2,0,0]=4 3063 B7R1.3 CC1=CCCC=C1 MCULE-6224653152 [0,1,0,1,0,0|2,0,0]=4 3064 B7R1.3 O=C1C=CC=CO1 MCULE-1962369480 [0,1,0,1,0,0|0,0,1]=3 3065 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,1,0,1,0,0|1,0,0]=3 3066 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [0,1,0,1,0,0|1,0,0]=3 3067 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,1,0,1,0,0|0,0,0]=2 3068 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [0,1,0,1,0,0|0,0,0]=2 3069 B7R1.3 O=C1C=COC=C1 MCULE-4737810636 [0,1,0,1,0,0|1,0,1]=4 3070 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [0,1,0,1,0,0|1,0,0]=3 3071 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [0,1,0,1,0,0|1,0,0]=3 3072 B7R1.3 O=C1C=NC=CN1 MCULE-1637832118 [0,1,0,1,0,0|1,0,1]=4 3073 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [0,1,0,1,0,0|1,0,0]=3 3074 B7R1.3 O=C1CC=CN=N1 MCULE-5717852017 [0,1,0,1,0,0|2,0,0]=4 3075 B7R1.3 O=C1CC=COC1 MCULE-3434064170 [0,1,0,1,0,0|0,0,2]=4 3076 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [0,1,0,1,0,0|0,0,2]=4 3077 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [0,1,0,1,0,0|0,0,2]=4 3078 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,1,0,1,0,0|0,0,2]=4 3079 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,1,0,1,0,0|0,0,2]=4 3080 B7R1.3 O=C1COCCN1 MCULE-8242898041 [0,1,0,1,0,0|1,0,1]=4 3081 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,1,0,1,0,0|0,0,2]=4 3082 B7R1.3 O=C1CSC=CN1 MCULE-7195428643 [0,1,0,1,0,0|2,0,0]=4 3083 B7R1.3 O=C1N=CC=CN1 MCULE-7966583838 [0,1,0,1,0,0|1,0,1]=4 3084 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,1,0,1,0,0|0,0,2]=4 3085 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [0,1,0,1,0,0|1,0,1]=4 3086 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [0,1,0,1,0,0|0,0,2]=4 3087 B7R1.3 OC1=CC=CC=C1 MCULE-9943948107 [0,1,0,1,0,0|1,0,1]=4 3088 B7R1.3 OC1=CC=NC=C1 MCULE-8174139341 [0,1,0,1,0,0|1,0,1]=4 3089 B7R1.3 OC1=CN=CC=C1 MCULE-3642491076 [0,1,0,1,0,0|1,0,1]=4 3090 B7R1.3 OC1=CN=CN=C1 MCULE-5696602281 [0,1,0,1,0,0|2,0,0]=4 3091 B7R1.3 OC1=CN=NC=C1 MCULE-1540029580 [0,1,0,1,0,0|2,0,0]=4 3092 B7R1.3 OC1=CN=NC=C1 MCULE-6611771561 [0,1,0,1,0,0|2,0,0]=4 3093 B7R1.3 OC1=CN=NC=C1 MCULE-7631421509 [0,1,0,1,0,0|2,0,0]=4 3094 B7R1.3 OC1=CN=NCC1 MCULE-3904781537 [0,1,0,1,0,0|2,0,0]=4 3095 B7R1.3 OC1=NC=CC=C1 MCULE-2999696825 [0,1,0,1,0,0|1,0,1]=4 3096 B7R1.3 OC1=NC=CC=C1 MCULE-3754843987 [0,1,0,1,0,0|1,0,1]=4 3097 B7R1.3 OC1=NC=CC=N1 MCULE-2271643092 [0,1,0,1,0,0|1,0,1]=4 3098 B7R1.3 OC1=NC=NC=C1 MCULE-3773308915 [0,1,0,1,0,0|1,0,1]=4 3099 B7R1.3 OC1=NN=CC=C1 MCULE-6627322308 [0,1,0,1,0,0|1,0,1]=4 3100 B7R1.3 OC1C=CCCC1 MCULE-3255466542 [0,1,0,1,0,0|1,0,1]=4 3101 B7R1.3 OC1C=CCNC1 MCULE-1616136732 [0,1,0,1,0,0|1,0,1]=4 3102 B7R1.3 OC1C=CCNC1 MCULE-6073391464 [0,1,0,1,0,0|1,0,1]=4 3103 B7R1.3 OC1C=CCOC1 MCULE-7810293257 [0,1,0,1,0,0|0,0,2]=4 3104 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [0,1,0,1,0,0|1,0,1]=4 3105 B7R1.3 O[C@H]1C=CCCC1 MCULE-5543899109 [0,1,0,1,0,0|1,0,1]=4 3106 B7R1.4 BrC1=C(OC=C1)Br MCULE-7426166356 [0,1,0,1,0,0|1,0,1]=4 3107 B7R1.4 BrC1=C(OC=C1)I MCULE-5137662121 [0,1,0,1,0,0|1,0,1]=4 3108 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,1,0,1,0,0|1,0,1]=4 3109 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,1,0,1,0,0|0,0,1]=3 3110 B7R1.4 CC1=C(C=CO1)Br MCULE-5272760073 [0,1,0,1,0,0|1,0,1]=4 3111 B7R1.4 CC1=C(C=CO1)N MCULE-8304976100 [0,1,0,1,0,0|1,0,1]=4 3112 B7R1.4 CC1=C(C=CO1)S MCULE-3331659980 [0,1,0,1,0,0|1,0,1]=4 3113 B7R1.4 CC1=C(C=CO1)S MCULE-8172133853 [0,1,0,1,0,0|1,0,1]=4 3114 B7R1.4 CC1=C(C=NO1)Br MCULE-3480380556 [0,1,0,1,0,0|2,0,0]=4 3115 B7R1.4 CC1=C(C=NO1)I MCULE-1012314205 [0,1,0,1,0,0|2,0,0]=4 3116 B7R1.4 CC1=C(C=NO1)N MCULE-4982899453 [0,1,0,1,0,0|2,0,0]=4 3117 B7R1.4 CC1=C(C=NO1)N MCULE-8792251798 [0,1,0,1,0,0|2,0,0]=4 3118 B7R1.4 CC1=C(OC=C1)Br MCULE-4484142471 [0,1,0,1,0,0|1,0,1]=4 3119 B7R1.4 CC1=C(OC=C1)C MCULE-1944160075 [0,1,0,1,0,0|1,0,1]=4 3120 B7R1.4 CC1=C(ON=C1)C MCULE-2037233742 [0,1,0,1,0,0|2,0,0]=4 3121 B7R1.4 CC1=C(ON=C1)N MCULE-1189999644 [0,1,0,1,0,0|2,0,0]=4 3122 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,1,0,1,0,0|1,0,0]=3 3123 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,1,0,1,0,0|0,0,0]=2 3124 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [0,1,0,1,0,0|2,0,0]=4 3125 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,1,0,1,0,0|0,0,2]=4 3126 B7R1.4 CN1C=CC=C1O MCULE-1520569878 [0,1,0,1,0,0|1,0,1]=4 3127 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [0,1,0,1,0,0|1,0,0]=3 3128 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,1,0,1,0,0|1,0,1]=4 3129 B7R1.4 CN1N=CC=C1O MCULE-1012956210 [0,1,0,1,0,0|2,0,0]=4 3130 B7R1.4 CN1N=CC=C1O MCULE-9024912006 [0,1,0,1,0,0|2,0,0]=4 3131 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [0,1,0,1,0,0|2,0,0]=4 3132 B7R1.4 CN1SC=CC1=O MCULE-3887229553 [0,1,0,1,0,0|2,0,0]=4 3133 B7R1.4 CN1SC=CC1=O MCULE-5825912822 [0,1,0,1,0,0|2,0,0]=4 3134 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,1,0,1,0,0|0,0,0]=2 3135 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [0,1,0,1,0,0|2,0,0]=4 3136 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [0,1,0,1,0,0|2,0,0]=4 3137 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,1,0,0|0,0,2]=4 3138 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,1,0,0|0,0,2]=4 3139 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,1,0,0|0,0,2]=4 3140 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,1,0,0|0,0,2]=4 3141 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,1,0,0|0,0,2]=4 3142 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,1,0,0|0,0,2]=4 3143 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,1,0,1,0,0|1,0,1]=4 3144 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,1,0,1,0,0|1,0,1]=4 3145 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,1,0,0|0,0,2]=4 3146 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,1,0,0|0,0,2]=4 3147 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,1,0,0|0,0,2]=4 3148 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,1,0,0|0,0,2]=4 3149 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,1,0,0|0,0,2]=4 3150 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,1,0,0|0,0,2]=4 3151 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,1,0,0|0,0,2]=4 3152 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,1,0,0|0,0,2]=4 3153 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,1,0,0|0,0,2]=4 3154 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,1,0,1,0,0|1,0,0]=3 3155 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,1,0,1,0,0|1,0,0]=3 3156 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,1,0,0|0,0,1]=3 3157 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,1,0,1,0,0|1,0,1]=4 3158 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,1,0,1,0,0|0,0,2]=4 3159 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,1,0,1,0,0|1,0,1]=4 3160 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,1,0,1,0,0|1,0,1]=4 3161 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,1,0,1,0,0|1,0,1]=4 3162 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,1,0,1,0,0|1,0,1]=4 3163 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,1,0,1,0,0|1,0,1]=4 3164 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,1,0,1,0,0|1,0,1]=4 3165 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,1,0,1,0,0|1,0,1]=4 3166 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,1,0,1,0,0|0,0,0]=2 3167 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,1,0,1,0,0|0,0,2]=4 3168 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,1,0,0|0,0,2]=4 3169 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,1,0,1,0,0|0,0,2]=4 3170 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,1,0,0|0,0,2]=4 3171 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,1,0,0|0,0,2]=4 3172 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,1,0,0|0,0,2]=4 3173 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,1,0,0|0,0,2]=4 3174 B7R1.4 OC1=CSC=C1O MCULE-7694152673 [0,1,0,1,0,0|2,0,0]=4 3175 B7R1.4 OC1=NOC=C1Br MCULE-1436145132 [0,1,0,1,0,0|2,0,0]=4 3176 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [0,1,0,1,0,0|1,0,1]=4 3177 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,1,0,1,0,0|0,0,2]=4 3178 B7R1.6 COC=C1COC1 MCULE-5631176777 [0,1,0,1,0,0|2,0,0]=4 3179 B7R1.6 O=CC=C1COC1 MCULE-3826519058 [0,1,0,1,0,0|2,0,0]=4 3180 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [0,1,0,1,0,0|0,0,2]=4 3181 B7R1.15 O=C1C=C(C1=O)O MCULE-3440355716 [0,1,0,1,0,0|1,0,0]=3 3182 B7R1.15 O=C1C=C(C1=O)[O-] MCULE-9991893223 [0,1,0,1,0,0|1,0,1]=4 3183 B7R1.22 C1(CO1)C(=O)OC MCULE-1350193594 [0,1,0,1,0,0|1,0,1]=4 3184 B7R1.22 COC(=O)C1CC1 MCULE-3338113454 [0,1,0,1,0,0|0,0,2]=4 3185 B7R1.22 COC(=O)C1CN1 MCULE-2166427972 [0,1,0,1,0,0|1,0,1]=4 3186 B7R1.22 COC(=O)C1CO1 MCULE-1745412030 [0,1,0,1,0,0|1,0,1]=4 3187 B7R1.22 COC(=O)N1CC1 MCULE-2788788116 [0,1,0,1,0,0|1,0,1]=4 3188 B7R1.22 COC(=O)[C@@H]1CN1 MCULE-1955059175 [0,1,0,1,0,0|1,0,1]=4 3189 B7R1.22 COC(=O)[C@@H]1CN1 MCULE-5011635876 [0,1,0,1,0,0|1,0,1]=4 3190 B7R1.22 COC(=O)[C@@H]1CO1 MCULE-2259836812 [0,1,0,1,0,0|1,0,1]=4 3191 B7R1.22 COC(=O)[C@H]1CN1 MCULE-5882979938 [0,1,0,1,0,0|1,0,1]=4 3192 B7R1.22 COC(=O)[C@H]1CN1 MCULE-8601280412 [0,1,0,1,0,0|1,0,1]=4 3193 B7R1.22 COC(=O)[C@H]1CO1 MCULE-5568309714 [0,1,0,1,0,0|1,0,1]=4 3194 B7R1.22 COC(=O)[C@H]1CO1 MCULE-9432053348 [0,1,0,1,0,0|1,0,1]=4 3195 B7R1.22 O=C(CO)C1CC1 MCULE-4276266642 [0,1,0,1,0,0|0,0,2]=4 3196 B7R1.22 O=C(NO)C1CC1 MCULE-2299815322 [0,1,0,1,0,0|0,0,2]=4 3197 B7R1.22 [C@H]1(CO1)C(=O)OC MCULE-2114123664 [0,1,0,1,0,0|1,0,1]=4 3198 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,1,0,1,0,0|0,0,1]=3 3199 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,1,0,1,0,0|0,0,0]=2 3200 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,1,0,1,0,0|0,0,2]=4 3201 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,1,0,1,0,0|0,0,2]=4 3202 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,1,0,1,0,0|0,0,2]=4 3203 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,1,0,1,0,0|0,0,2]=4 3204 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,1,0,1,0,0|0,0,2]=4 3205 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,1,0,1,0,0|0,0,2]=4 3206 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,1,0,1,0,0|0,0,2]=4 3207 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,1,0,1,0,0|0,0,2]=4 3208 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,1,0,1,0,0|0,0,2]=4 3209 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,1,0,1,0,0|0,0,2]=4 3210 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,1,0,1,0,0|0,0,2]=4 3211 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,1,0,1,0,0|0,0,2]=4 3212 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,1,0,1,0,0|0,0,2]=4 3213 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,1,0,1,0,0|0,0,2]=4 3214 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,1,0,1,0,0|0,0,2]=4 3215 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,1,0,1,0,0|0,0,2]=4 3216 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,1,0,1,0,0|0,0,2]=4 3217 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,1,0,1,0,0|0,0,2]=4 3218 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,1,0,1,0,0|0,0,2]=4 3219 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,1,0,1,0,0|0,0,2]=4 3220 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,1,0,1,0,0|0,0,2]=4 3221 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,1,0,1,0,0|0,0,2]=4 3222 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,1,0,1,0,0|0,0,2]=4 3223 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,1,0,1,0,0|0,0,2]=4 3224 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,1,0,1,0,0|0,0,2]=4 3225 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,1,0,1,0,0|0,0,2]=4 3226 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,1,0,1,0,0|0,0,2]=4 3227 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,1,0,1,0,0|0,0,2]=4 3228 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,1,0,1,0,0|0,0,2]=4 3229 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,1,0,1,0,0|0,0,2]=4 3230 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,1,0,1,0,0|0,0,2]=4 3231 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,1,0,1,0,0|0,0,2]=4 3232 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,1,0,1,0,0|0,0,2]=4 3233 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [0,1,0,1,0,0|0,0,0]=2 3234 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,1,0,1,0,0|0,0,2]=4 3235 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,1,0,1,0,0|0,0,2]=4 3236 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,1,0,1,0,0|0,0,2]=4 3237 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,1,0,1,0,0|0,0,2]=4 3238 B7R1.18 CC(=O)N1C=CC1 MCULE-4207230175 [0,1,0,1,0,0|1,0,0]=3 3239 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,1,0,1,0,0|0,0,0]=2 3240 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,1,0,1,0,0|0,0,2]=4 3241 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,1,0,1,0,0|0,0,2]=4 3242 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,1,0,1,0,0|0,0,2]=4 3243 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,1,0,1,0,0|0,0,2]=4 3244 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,1,0,1,0,0|0,0,2]=4 3245 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,1,0,1,0,0|0,0,2]=4 3246 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,1,0,1,0,0|0,0,2]=4 3247 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,1,0,1,0,0|0,0,2]=4 3248 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,1,0,1,0,0|0,0,2]=4 3249 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,1,0,1,0,0|0,0,2]=4 3250 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,1,0,1,0,0|0,0,2]=4 3251 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,1,0,1,0,0|0,0,2]=4 3252 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,1,0,1,0,0|0,0,2]=4 3253 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,1,0,1,0,0|0,0,2]=4 3254 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,1,0,1,0,0|0,0,2]=4 3255 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,1,0,1,0,0|0,0,2]=4 3256 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,1,0,1,0,0|0,0,2]=4 3257 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,1,0,1,0,0|0,0,2]=4 3258 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,1,0,1,0,0|0,0,2]=4 3259 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,1,0,1,0,0|0,0,2]=4 3260 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,1,0,1,0,0|0,0,2]=4 3261 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,1,0,1,0,0|0,0,2]=4 3262 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,1,0,1,0,0|0,0,2]=4 3263 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,1,0,1,0,0|1,0,1]=4 3264 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,1,0,1,0,0|0,0,2]=4 3265 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,1,0,1,0,0|0,0,2]=4 3266 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,1,0,1,0,0|0,0,2]=4 3267 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,1,0,1,0,0|0,0,2]=4 3268 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,1,0,1,0,0|0,0,2]=4 3269 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,1,0,1,0,0|0,0,2]=4 3270 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,1,0,1,0,0|0,0,2]=4 3271 B7R1.7 CC/C=C/[C@H]1CO1 MCULE-2083815927 [0,1,0,1,0,0|1,0,1]=4 3272 B7R1.14 CP1(=O)CC=CC1 MCULE-4152900149 [0,1,0,1,0,0|2,0,0]=4 3273 B7R1.14 O=P1(C=CCC1)Cl MCULE-4153870806 [0,1,0,1,0,0|2,0,0]=4 3274 B7R1.14 O=P1(CC=CC1)Cl MCULE-8307035489 [0,1,0,1,0,0|2,0,0]=4 3275 B7R1.14 O=S1(=O)C=CCC1 MCULE-7689521769 [0,1,0,1,0,0|1,0,1]=4 3276 B7R1.14 O=S1(=O)C=CCN1 MCULE-1393327309 [0,1,0,1,0,0|1,0,1]=4 3277 B7R1.14 O=S1(=O)C=CCO1 MCULE-5410343136 [0,1,0,1,0,0|1,0,0]=3 3278 B7R1.14 O=S1(=O)CC=CC1 MCULE-5003570891 [0,1,0,1,0,0|1,0,1]=4 3279 B7R2.13 C1=CC2OC2C1 MCULE-9601635666 [0,0,0,2,0,0|1,0,1]=4