0 B5R0.1 C#CCC(=O)O MCULE-4680699666 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.1 C#CCC(C)O MCULE-2487589857 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 C=C(Br)CCO MCULE-3743908958 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 C=C(Br)COC MCULE-5349428431 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 C=C(C)CCBr MCULE-3439794005 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.1 C=C(C)CCC MCULE-8225129744 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.1 C=C(C)CCCl MCULE-2816016781 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.1 C=C(C)CCI MCULE-6317205481 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 C=C(C)CCN MCULE-4037025602 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 C=C(C)CCN MCULE-5001503744 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 C=C(C)CCO MCULE-2689800711 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 C=C(C)CNN MCULE-1117931770 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 C=C(C)CON MCULE-2773974323 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.1 C=C(C)CON MCULE-5978680243 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.1 C=CCB(O)O MCULE-2306600658 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 C=CCC(=C)C MCULE-6294070836 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 C=CCC(=N)N MCULE-6305125234 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 C=CCC(=O)N MCULE-1205335257 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.1 C=CCC(=O)O MCULE-6288979337 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.1 C=CCC(C)O MCULE-7724200334 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 C=CCC(C)O MCULE-9910771503 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.1 C=CNC(=O)C MCULE-1260296806 [0,0,0,0,0,0|4,0,0]=4 36 B5R0.1 C=CNC(=O)N MCULE-4235216182 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.1 C=COC(=O)C MCULE-7626795765 [0,0,0,0,0,0|4,0,0]=4 38 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [0,0,0,0,0,0|4,0,0]=4 39 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [0,0,0,0,0,0|2,0,2]=4 40 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.1 C=NCC(=S)N MCULE-6261527142 [0,0,0,0,0,0|3,1,0]=4 42 B5R0.1 CC#CC(=O)C MCULE-4083248904 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.1 CC#CC(=O)O MCULE-9994142213 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.1 CC(=CCN)C MCULE-7220252581 [0,0,0,0,0,0|3,0,1]=4 46 B5R0.1 CC(=CCN)C MCULE-8394581250 [0,0,0,0,0,0|3,0,1]=4 47 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [0,0,0,0,0,0|3,0,1]=4 52 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.1 CC(=O)CC#N MCULE-7203242552 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,0,0,0,0,0|3,0,0]=3 55 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,0,0,0,0,0|3,0,0]=3 56 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,0,0,0,0,0|2,0,0]=2 57 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,0,0,0,0,0|2,0,0]=2 58 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.1 CC(=O)N=C=S MCULE-7540453687 [0,0,0,0,0,0|4,0,0]=4 60 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [0,0,0,0,0,0|3,1,0]=4 61 B5R0.1 CC(=O)NC#N MCULE-8444599659 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,0,0,0,0,0|4,0,0]=4 63 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,0,0,0,0,0|4,0,0]=4 64 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,0,0,0,0,0|4,0,0]=4 65 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,0,0,0,0,0|4,0,0]=4 66 B5R0.1 CC(C)CCN MCULE-3081003576 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.1 CC(C)CCN MCULE-5118782389 [0,0,0,0,0,0|3,0,1]=4 68 B5R0.1 CC(C)CCN MCULE-5217981670 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.1 CC(C)CCN MCULE-6280940933 [0,0,0,0,0,0|3,0,1]=4 70 B5R0.1 CC(C)CNN MCULE-6797887001 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.1 CC(C)CNN MCULE-9592971233 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.1 CC(C)CNN MCULE-9725792452 [0,0,0,0,0,0|3,0,1]=4 73 B5R0.1 CC(C)CON MCULE-3476786246 [0,0,0,0,0,0|2,0,1]=3 74 B5R0.1 CC(C)CON MCULE-4450654727 [0,0,0,0,0,0|2,0,1]=3 75 B5R0.1 CC(F)CCN MCULE-2805813131 [0,0,0,0,0,0|3,0,1]=4 76 B5R0.1 CC(F)CCN MCULE-5849913362 [0,0,0,0,0,0|3,0,1]=4 77 B5R0.1 CC(N)CCN MCULE-5308134596 [0,0,0,0,0,0|3,0,1]=4 78 B5R0.1 CC(N)CCN MCULE-5880045507 [0,0,0,0,0,0|3,0,1]=4 79 B5R0.1 CC(N)CCN MCULE-7827515430 [0,0,0,0,0,0|3,0,1]=4 80 B5R0.1 CC(O)CC#N MCULE-7172428142 [0,0,0,0,0,0|2,0,2]=4 81 B5R0.1 CC(O)CCBr MCULE-7983169885 [0,0,0,0,0,0|3,0,1]=4 82 B5R0.1 CC(O)CCCl MCULE-2952545606 [0,0,0,0,0,0|3,0,1]=4 83 B5R0.1 CC(O)CCN MCULE-6836791276 [0,0,0,0,0,0|2,0,1]=3 84 B5R0.1 CC(O)CCN MCULE-7186260925 [0,0,0,0,0,0|2,0,1]=3 85 B5R0.1 CC(O)CCO MCULE-1694239851 [0,0,0,0,0,0|3,0,1]=4 86 B5R0.1 CC(O)CCO MCULE-7784884948 [0,0,0,0,0,0|3,0,1]=4 87 B5R0.1 CC(O)CNN MCULE-4956670781 [0,0,0,0,0,0|2,0,1]=3 88 B5R0.1 CC(O)CNN MCULE-7917439573 [0,0,0,0,0,0|2,0,1]=3 89 B5R0.1 CC(O)CON MCULE-1051091134 [0,0,0,0,0,0|1,0,1]=2 90 B5R0.1 CC(O)CON MCULE-6722092589 [0,0,0,0,0,0|1,0,1]=2 91 B5R0.1 CC=CC(=O)C MCULE-4826977340 [0,0,0,0,0,0|3,0,1]=4 92 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [0,0,0,0,0,0|3,0,1]=4 93 B5R0.1 CC=CC(=O)N MCULE-9693879476 [0,0,0,0,0,0|3,0,1]=4 94 B5R0.1 CC=CC(=O)O MCULE-7970410217 [0,0,0,0,0,0|2,0,1]=3 95 B5R0.1 CCCB(O)O MCULE-4994980798 [0,0,0,0,0,0|3,0,1]=4 96 B5R0.1 CCCC(=N)N MCULE-5974105638 [0,0,0,0,0,0|4,0,0]=4 97 B5R0.1 CCCC(=N)N MCULE-9230704591 [0,0,0,0,0,0|4,0,0]=4 98 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,0,0,0,0,0|3,0,0]=3 99 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,0,0,0,0,0|3,0,0]=3 100 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,0,0,0,0,0|3,0,0]=3 101 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,0,0,0,0,0|2,0,0]=2 102 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,0,0,0,0,0|2,0,1]=3 103 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,0,0,0,0,0|2,0,1]=3 104 B5R0.1 CCCC(=S)N MCULE-3529335988 [0,0,0,0,0,0|3,1,0]=4 105 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,0,0,0,0,0|2,1,0]=3 106 B5R0.1 CCCC(C)O MCULE-8205906299 [0,0,0,0,0,0|3,0,1]=4 107 B5R0.1 CCCC(O)Cl MCULE-3188577082 [0,0,0,0,0,0|3,0,1]=4 108 B5R0.1 CCCN(=O)=O MCULE-5615753372 [0,0,0,0,0,0|3,0,1]=4 109 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [0,0,0,0,0,0|3,0,1]=4 110 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [0,0,0,0,0,0|3,0,1]=4 111 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [0,0,0,0,0,0|3,0,1]=4 112 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [0,0,0,0,0,0|3,0,1]=4 113 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,0,0,0,0,0|4,0,0]=4 114 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [0,0,0,0,0,0|4,0,0]=4 115 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,0,0,0,0,0|4,0,0]=4 116 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,0,0,0,0,0|4,0,0]=4 117 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [0,0,0,0,0,0|4,0,0]=4 118 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,0,0,0,0,0|4,0,0]=4 119 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,0,0,0,0,0|4,0,0]=4 120 B5R0.1 CN(C)CCN MCULE-6693759372 [0,0,0,0,0,0|4,0,0]=4 121 B5R0.1 CN(C)CCN MCULE-6929925748 [0,0,0,0,0,0|4,0,0]=4 122 B5R0.1 CN(C)CCN MCULE-7881547574 [0,0,0,0,0,0|4,0,0]=4 123 B5R0.1 CN(N)CCN MCULE-2782966878 [0,0,0,0,0,0|4,0,0]=4 124 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,0,0,0,0,0|3,0,0]=3 125 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,0,0,0,0,0|3,0,0]=3 126 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,0,0,0,0,0|3,0,0]=3 127 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,0,0,0,0,0|3,0,0]=3 128 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,0,0,0,0,0|3,0,0]=3 129 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,0,0,0,0,0|2,0,0]=2 130 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,0,0,0,0,0|2,0,0]=2 131 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,0,0,0,0,0|2,0,1]=3 132 B5R0.1 CNCC(C)O MCULE-3671071529 [0,0,0,0,0,0|3,0,1]=4 133 B5R0.1 CNCC(C)O MCULE-4171705304 [0,0,0,0,0,0|3,0,1]=4 134 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [0,0,0,0,0,0|3,0,1]=4 135 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [0,0,0,0,0,0|3,0,1]=4 136 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [0,0,0,0,0,0|3,0,1]=4 137 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [0,0,0,0,0,0|3,0,1]=4 138 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [0,0,0,0,0,0|3,0,1]=4 139 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [0,0,0,0,0,0|3,0,1]=4 140 B5R0.1 CNOC(=O)C MCULE-1464426541 [0,0,0,0,0,0|4,0,0]=4 141 B5R0.1 CNOC(=O)C MCULE-2976282666 [0,0,0,0,0,0|4,0,0]=4 142 B5R0.1 COC=C(C)C MCULE-6348538911 [0,0,0,0,0,0|3,0,1]=4 143 B5R0.1 COCC(=N)N MCULE-4711728356 [0,0,0,0,0,0|3,0,0]=3 144 B5R0.1 COCC(=N)N MCULE-7163250467 [0,0,0,0,0,0|3,0,0]=3 145 B5R0.1 COCC(=O)C MCULE-7262197587 [0,0,0,0,0,0|2,0,0]=2 146 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,0,0,0,0,0|2,0,0]=2 147 B5R0.1 COCC(=O)N MCULE-6674958132 [0,0,0,0,0,0|2,0,0]=2 148 B5R0.1 COCC(=O)O MCULE-3945589151 [0,0,0,0,0,0|1,0,0]=1 149 B5R0.1 COCC(=S)N MCULE-2046809269 [0,0,0,0,0,0|2,1,0]=3 150 B5R0.1 COCC(C)Br MCULE-6850689931 [0,0,0,0,0,0|3,0,1]=4 151 B5R0.1 COCC(C)I MCULE-8608265714 [0,0,0,0,0,0|3,0,1]=4 152 B5R0.1 COCC(C)N MCULE-1896873634 [0,0,0,0,0,0|3,0,1]=4 153 B5R0.1 COCC(C)N MCULE-2549420211 [0,0,0,0,0,0|3,0,1]=4 154 B5R0.1 COCC(C)N MCULE-3490410444 [0,0,0,0,0,0|3,0,1]=4 155 B5R0.1 COCC(C)N MCULE-7089888882 [0,0,0,0,0,0|3,0,1]=4 156 B5R0.1 COCC(C)O MCULE-4022733014 [0,0,0,0,0,0|2,0,1]=3 157 B5R0.1 COCC(C)O MCULE-7513310960 [0,0,0,0,0,0|2,0,1]=3 158 B5R0.1 COCN(C)C MCULE-1963225930 [0,0,0,0,0,0|4,0,0]=4 159 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [0,0,0,0,0,0|3,0,1]=4 160 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [0,0,0,0,0,0|3,0,1]=4 161 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [0,0,0,0,0,0|3,0,1]=4 162 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [0,0,0,0,0,0|3,0,1]=4 163 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [0,0,0,0,0,0|2,0,1]=3 164 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [0,0,0,0,0,0|2,0,1]=3 165 B5R0.1 COC[C@H](C)N MCULE-2465679418 [0,0,0,0,0,0|3,0,1]=4 166 B5R0.1 COC[C@H](C)N MCULE-2998593539 [0,0,0,0,0,0|3,0,1]=4 167 B5R0.1 COC[C@H](C)N MCULE-3161045661 [0,0,0,0,0,0|3,0,1]=4 168 B5R0.1 COC[C@H](C)N MCULE-9550165578 [0,0,0,0,0,0|3,0,1]=4 169 B5R0.1 COC[C@H](C)O MCULE-5908531683 [0,0,0,0,0,0|2,0,1]=3 170 B5R0.1 COC[C@H](C)O MCULE-8619138238 [0,0,0,0,0,0|2,0,1]=3 171 B5R0.1 CONC(=O)C MCULE-6601866630 [0,0,0,0,0,0|3,0,0]=3 172 B5R0.1 CONC(=O)N MCULE-3063713861 [0,0,0,0,0,0|3,0,0]=3 173 B5R0.1 CONC(=S)C MCULE-1876042939 [0,0,0,0,0,0|3,1,0]=4 174 B5R0.1 CS(=O)CC#N MCULE-1246621507 [0,0,0,0,0,0|3,0,1]=4 175 B5R0.1 CS(=O)CCBr MCULE-7846126230 [0,0,0,0,0,0|4,0,0]=4 176 B5R0.1 CS(=O)CCCl MCULE-7012781505 [0,0,0,0,0,0|4,0,0]=4 177 B5R0.1 CS(=O)CCN MCULE-6497874560 [0,0,0,0,0,0|3,0,0]=3 178 B5R0.1 CS(=O)CCN MCULE-8275663766 [0,0,0,0,0,0|3,0,0]=3 179 B5R0.1 CS(=O)CCN MCULE-8330490290 [0,0,0,0,0,0|3,0,0]=3 180 B5R0.1 CS(=O)CCO MCULE-8331553582 [0,0,0,0,0,0|4,0,0]=4 181 B5R0.1 CSCC(=N)N MCULE-7800929509 [0,0,0,0,0,0|3,1,0]=4 182 B5R0.1 CSCC(=N)N MCULE-8499985777 [0,0,0,0,0,0|3,1,0]=4 183 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,0,0,0,0,0|2,1,0]=3 184 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [0,0,0,0,0,0|2,1,0]=3 185 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,0,0,0,0,0|2,1,0]=3 186 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,0,0,0,0,0|1,1,0]=2 187 B5R0.1 CSCC(=S)N MCULE-5029100305 [0,0,0,0,0,0|2,2,0]=4 188 B5R0.1 CSCC(C)O MCULE-2227652351 [0,0,0,0,0,0|2,1,1]=4 189 B5R0.1 CSCS(=O)C MCULE-3167702486 [0,0,0,0,0,0|3,1,0]=4 190 B5R0.1 CSNC(=O)C MCULE-7350061514 [0,0,0,0,0,0|3,1,0]=4 191 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [0,0,0,0,0,0|2,0,2]=4 192 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [0,0,0,0,0,0|2,0,1]=3 193 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [0,0,0,0,0,0|2,0,1]=3 194 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [0,0,0,0,0,0|2,0,1]=3 195 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [0,0,0,0,0,0|2,0,1]=3 196 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [0,0,0,0,0,0|3,0,1]=4 197 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [0,0,0,0,0,0|3,0,1]=4 198 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [0,0,0,0,0,0|1,0,1]=2 199 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [0,0,0,0,0,0|1,0,1]=2 200 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [0,0,0,0,0,0|2,0,2]=4 201 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [0,0,0,0,0,0|2,0,1]=3 202 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [0,0,0,0,0,0|2,0,1]=3 203 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [0,0,0,0,0,0|3,0,1]=4 204 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [0,0,0,0,0,0|3,0,1]=4 205 B5R0.1 C[C@H](O)CON MCULE-4216605221 [0,0,0,0,0,0|1,0,1]=2 206 B5R0.1 C[C@H](O)CON MCULE-9863094719 [0,0,0,0,0,0|1,0,1]=2 207 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [0,0,0,0,0,0|4,0,0]=4 208 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [0,0,0,0,0,0|2,0,1]=3 209 B5R0.1 N#CCC(=O)N MCULE-8538286230 [0,0,0,0,0,0|2,0,1]=3 210 B5R0.1 N#CCC(=O)O MCULE-3440765061 [0,0,0,0,0,0|1,0,1]=2 211 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [0,0,0,0,0,0|1,0,2]=3 212 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [0,0,0,0,0,0|1,0,2]=3 213 B5R0.1 N#CCC(=S)N MCULE-6348216099 [0,0,0,0,0,0|2,1,1]=4 214 B5R0.1 N#CCC(=[Se])N MCULE-7730610345 [0,0,0,0,0,0|2,1,1]=4 215 B5R0.1 N#CCN(=O)=O MCULE-1994427033 [0,0,0,0,0,0|2,0,2]=4 216 B5R0.1 N=C(N)CCCl MCULE-2314996365 [0,0,0,0,0,0|4,0,0]=4 217 B5R0.1 N=C(N)CCCl MCULE-3129838313 [0,0,0,0,0,0|4,0,0]=4 218 B5R0.1 N=C(N)CCO MCULE-4567824707 [0,0,0,0,0,0|4,0,0]=4 219 B5R0.1 N=C(N)CCO MCULE-7139693715 [0,0,0,0,0,0|4,0,0]=4 220 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [0,0,0,0,0,0|3,0,1]=4 221 B5R0.1 NC(=O)C=NO MCULE-6447662753 [0,0,0,0,0,0|3,0,1]=4 222 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,0,0,0,0,0|3,0,0]=3 223 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,0,0,0,0,0|3,0,0]=3 224 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,0,0,0,0,0|3,0,0]=3 225 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,0,0,0,0,0|3,0,0]=3 226 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,0,0,0,0,0|4,0,0]=4 227 B5R0.1 NC(=O)NN=O MCULE-2820469915 [0,0,0,0,0,0|4,0,0]=4 228 B5R0.1 NCC=C(Cl)Cl MCULE-6555955942 [0,0,0,0,0,0|3,0,1]=4 229 B5R0.1 NCC=C(Cl)Cl MCULE-9019653665 [0,0,0,0,0,0|3,0,1]=4 230 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,0,0,0,0,0|2,0,0]=2 231 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,0,0,0,0,0|2,0,0]=2 232 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,0,0,0,0,0|2,0,0]=2 233 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,0,0,0,0,0|1,0,0]=1 234 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,0,0,0,0,0|1,0,0]=1 235 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,0,0,0,0,0|1,0,0]=1 236 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,0,0,0,0,0|1,0,1]=2 237 B5R0.1 NCCC(F)F MCULE-3610134573 [0,0,0,0,0,0|3,0,1]=4 238 B5R0.1 NCCC(F)F MCULE-5561095460 [0,0,0,0,0,0|3,0,1]=4 239 B5R0.1 NCCN(=O)=O MCULE-8137427440 [0,0,0,0,0,0|2,0,1]=3 240 B5R0.1 NCCP(=O)O MCULE-7093964616 [0,0,0,0,0,0|2,0,0]=2 241 B5R0.1 NCCS(=O)O MCULE-4372248641 [0,0,0,0,0,0|2,0,0]=2 242 B5R0.1 NNCC(=O)N MCULE-2794619708 [0,0,0,0,0,0|2,0,0]=2 243 B5R0.1 NNCC(=O)N MCULE-6773156087 [0,0,0,0,0,0|2,0,0]=2 244 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,0,0,0,0,0|1,0,0]=1 245 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,0,0,0,0,0|1,0,0]=1 246 B5R0.1 NNCC(F)F MCULE-4290590143 [0,0,0,0,0,0|3,0,1]=4 247 B5R0.1 NNCC(F)F MCULE-8397473173 [0,0,0,0,0,0|3,0,1]=4 248 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,0,0,0,0,0|0,0,0]=0 249 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,0,0,0,0,0|0,0,0]=0 250 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,0,0,0,0,0|0,0,0]=0 251 B5R0.1 NOCC(F)F MCULE-1860693804 [0,0,0,0,0,0|2,0,1]=3 252 B5R0.1 NOCC(F)F MCULE-2698080780 [0,0,0,0,0,0|2,0,1]=3 253 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [0,0,0,0,0,0|3,0,1]=4 254 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,0,0,0,0,0|3,0,0]=3 255 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [0,0,0,0,0,0|3,0,0]=3 256 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [0,0,0,0,0,0|3,0,0]=3 257 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [0,0,0,0,0,0|4,0,0]=4 258 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [0,0,0,0,0,0|2,0,1]=3 259 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [0,0,0,0,0,0|2,0,1]=3 260 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [0,0,0,0,0,0|2,0,1]=3 261 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [0,0,0,0,0,0|2,0,1]=3 262 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [0,0,0,0,0,0|2,0,1]=3 263 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [0,0,0,0,0,0|2,0,1]=3 264 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [0,0,0,0,0,0|2,0,1]=3 265 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [0,0,0,0,0,0|2,0,1]=3 266 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [0,0,0,0,0,0|2,0,1]=3 267 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [0,0,0,0,0,0|2,0,1]=3 268 B5R0.1 O=C(O)C=CI MCULE-7162332129 [0,0,0,0,0,0|2,0,1]=3 269 B5R0.1 O=C(O)C=NO MCULE-2039309679 [0,0,0,0,0,0|2,0,1]=3 270 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,0,0,0,0,0|2,0,0]=2 271 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,0,0,0,0,0|2,0,0]=2 272 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,0,0,0,0,0|2,0,0]=2 273 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,0,0,0,0,0|2,0,0]=2 274 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,0,0,0,0,0|2,0,0]=2 275 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,0,0,0,0,0|2,0,0]=2 276 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,0,0,0,0,0|2,0,0]=2 277 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [0,0,0,0,0,0|2,0,2]=4 278 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [0,0,0,0,0,0|2,0,2]=4 279 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [0,0,0,0,0,0|2,0,2]=4 280 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,0,0,0,0,0|2,0,1]=3 281 B5R0.1 O=N(=O)CCO MCULE-2060841405 [0,0,0,0,0,0|3,0,1]=4 282 B5R0.1 O=N(=O)CCS MCULE-4845430658 [0,0,0,0,0,0|3,0,1]=4 283 B5R0.1 P(=O)(O)C=C=C MCULE-4922910477 [0,0,0,0,0,0|3,0,1]=4 284 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [0,0,0,0,0,0|3,0,1]=4 285 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [0,0,0,0,0,0|3,0,1]=4 286 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [0,0,0,0,0,0|2,0,2]=4 287 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [0,0,0,0,0,0|3,0,1]=4 288 B4R0.1 C#CC(=O)C MCULE-1296030711 [1,0,0,0,0,0|2,0,1]=4 289 B4R0.1 C#CC(=O)N MCULE-1832868146 [1,0,0,0,0,0|2,0,1]=4 290 B4R0.1 C#CC(=O)O MCULE-8764256624 [1,0,0,0,0,0|1,0,1]=3 291 B4R0.1 C#CC(=O)[O-] MCULE-3356498679 [1,0,0,0,0,0|1,0,2]=4 292 B4R0.1 C#CC(=O)[O-] MCULE-3490087346 [1,0,0,0,0,0|1,0,2]=4 293 B4R0.1 C(C)(N)CN MCULE-5877041140 [1,0,0,0,0,0|2,0,1]=4 294 B4R0.1 C(C)(N)CO MCULE-5844242932 [1,0,0,0,0,0|2,0,1]=4 295 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [1,0,0,0,0,0|3,0,0]=4 296 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [1,0,0,0,0,0|3,0,0]=4 297 B4R0.1 C=C(Br)CBr MCULE-1222617820 [1,0,0,0,0,0|3,0,0]=4 298 B4R0.1 C=C(Br)CC MCULE-6271946451 [1,0,0,0,0,0|3,0,0]=4 299 B4R0.1 C=C(Br)CN MCULE-1170417597 [1,0,0,0,0,0|2,0,0]=3 300 B4R0.1 C=C(Br)CN MCULE-9190049156 [1,0,0,0,0,0|2,0,0]=3 301 B4R0.1 C=C(Br)CO MCULE-7763893047 [1,0,0,0,0,0|2,0,0]=3 302 B4R0.1 C=C(C)CBr MCULE-1361893863 [1,0,0,0,0,0|3,0,0]=4 303 B4R0.1 C=C(C)CCl MCULE-5586406339 [1,0,0,0,0,0|3,0,0]=4 304 B4R0.1 C=C(C)CI MCULE-3678124406 [1,0,0,0,0,0|3,0,0]=4 305 B4R0.1 C=C(C)CN MCULE-1033495975 [1,0,0,0,0,0|2,0,0]=3 306 B4R0.1 C=C(C)CN MCULE-8730181300 [1,0,0,0,0,0|2,0,0]=3 307 B4R0.1 C=C(C)CO MCULE-8641288398 [1,0,0,0,0,0|2,0,0]=3 308 B4R0.1 C=C(C)CS MCULE-5174170431 [1,0,0,0,0,0|2,1,0]=4 309 B4R0.1 C=C(C)OC MCULE-7344104255 [1,0,0,0,0,0|3,0,0]=4 310 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [1,0,0,0,0,0|3,0,0]=4 311 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [1,0,0,0,0,0|3,0,0]=4 312 B4R0.1 C=C(Cl)CI MCULE-1908004565 [1,0,0,0,0,0|3,0,0]=4 313 B4R0.1 C=C(Cl)CN MCULE-2159410121 [1,0,0,0,0,0|2,0,0]=3 314 B4R0.1 C=C(Cl)CN MCULE-3454023553 [1,0,0,0,0,0|2,0,0]=3 315 B4R0.1 C=C(Cl)CO MCULE-8813337564 [1,0,0,0,0,0|2,0,0]=3 316 B4R0.1 C=C(F)CBr MCULE-6528430141 [1,0,0,0,0,0|3,0,0]=4 317 B4R0.1 C=C(F)CCl MCULE-4499400030 [1,0,0,0,0,0|3,0,0]=4 318 B4R0.1 C=C(F)CN MCULE-1603171858 [1,0,0,0,0,0|2,0,0]=3 319 B4R0.1 C=C(F)CN MCULE-3878727292 [1,0,0,0,0,0|2,0,0]=3 320 B4R0.1 C=C(F)CO MCULE-2779963696 [1,0,0,0,0,0|2,0,0]=3 321 B4R0.1 C=C(I)CO MCULE-2533897125 [1,0,0,0,0,0|2,0,0]=3 322 B4R0.1 C=CC(=O)C MCULE-4924646293 [1,0,0,0,0,0|2,0,1]=4 323 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [1,0,0,0,0,0|2,0,1]=4 324 B4R0.1 C=CC(=O)N MCULE-4309430654 [1,0,0,0,0,0|2,0,1]=4 325 B4R0.1 C=CC(=O)O MCULE-9352227082 [1,0,0,0,0,0|1,0,1]=3 326 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [1,0,0,0,0,0|1,0,2]=4 327 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [1,0,0,0,0,0|1,0,2]=4 328 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [1,0,0,0,0,0|1,0,2]=4 329 B4R0.1 CC(=N)NN MCULE-2302306720 [1,0,0,0,0,0|3,0,0]=4 330 B4R0.1 CC(=N)NN MCULE-5362481009 [1,0,0,0,0,0|3,0,0]=4 331 B4R0.1 CC(=NN)C MCULE-8828852790 [1,0,0,0,0,0|3,0,0]=4 332 B4R0.1 CC(=NO)C MCULE-3243100216 [1,0,0,0,0,0|3,0,0]=4 333 B4R0.1 CC(=O)C#N MCULE-6317771757 [1,0,0,0,0,0|1,0,2]=4 334 B4R0.1 CC(=O)C=O MCULE-2718961814 [1,0,0,0,0,0|1,0,2]=4 335 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,0,0,0,0,0|2,0,0]=3 336 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,0,0,0,0,0|2,0,0]=3 337 B4R0.1 CC(=O)CF MCULE-7417279999 [1,0,0,0,0,0|2,0,0]=3 338 B4R0.1 CC(=O)CN MCULE-2715277783 [1,0,0,0,0,0|1,0,0]=2 339 B4R0.1 CC(=O)CN MCULE-6004541862 [1,0,0,0,0,0|1,0,0]=2 340 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,0,0,0,0|1,0,0]=2 341 B4R0.1 CC(=O)CS MCULE-9736174016 [1,0,0,0,0,0|1,1,0]=3 342 B4R0.1 CC(=O)NBr MCULE-6502070876 [1,0,0,0,0,0|3,0,0]=4 343 B4R0.1 CC(=O)NN MCULE-9183467120 [1,0,0,0,0,0|2,0,0]=3 344 B4R0.1 CC(=O)NO MCULE-2682231025 [1,0,0,0,0,0|2,0,0]=3 345 B4R0.1 CC(=O)OO MCULE-6028338742 [1,0,0,0,0,0|2,0,0]=3 346 B4R0.1 CC(Br)CN MCULE-5214613046 [1,0,0,0,0,0|2,0,1]=4 347 B4R0.1 CC(Br)CN MCULE-6326218362 [1,0,0,0,0,0|2,0,1]=4 348 B4R0.1 CC(Br)CO MCULE-8344365003 [1,0,0,0,0,0|2,0,1]=4 349 B4R0.1 CC(C)CN MCULE-2158650588 [1,0,0,0,0,0|2,0,1]=4 350 B4R0.1 CC(C)CN MCULE-6751437658 [1,0,0,0,0,0|2,0,1]=4 351 B4R0.1 CC(C)CN MCULE-8319193456 [1,0,0,0,0,0|2,0,1]=4 352 B4R0.1 CC(C)CN MCULE-8705657065 [1,0,0,0,0,0|2,0,1]=4 353 B4R0.1 CC(C)CO MCULE-6294327194 [1,0,0,0,0,0|2,0,1]=4 354 B4R0.1 CC(C)ON MCULE-4063407094 [1,0,0,0,0,0|2,0,1]=4 355 B4R0.1 CC(C)ON MCULE-9108231771 [1,0,0,0,0,0|2,0,1]=4 356 B4R0.1 CC(Cl)CN MCULE-2637316379 [1,0,0,0,0,0|2,0,1]=4 357 B4R0.1 CC(Cl)CN MCULE-5591419030 [1,0,0,0,0,0|2,0,1]=4 358 B4R0.1 CC(Cl)CO MCULE-3857255988 [1,0,0,0,0,0|2,0,1]=4 359 B4R0.1 CC(Cl)CO MCULE-7538548427 [1,0,0,0,0,0|2,0,1]=4 360 B4R0.1 CC(F)CN MCULE-6584490651 [1,0,0,0,0,0|2,0,1]=4 361 B4R0.1 CC(F)CN MCULE-9499916116 [1,0,0,0,0,0|2,0,1]=4 362 B4R0.1 CC(F)CO MCULE-6006763378 [1,0,0,0,0,0|2,0,1]=4 363 B4R0.1 CC(N)CN MCULE-2119036110 [1,0,0,0,0,0|2,0,1]=4 364 B4R0.1 CC(N)CN MCULE-6286216576 [1,0,0,0,0,0|2,0,1]=4 365 B4R0.1 CC(N)CN MCULE-9919433465 [1,0,0,0,0,0|2,0,1]=4 366 B4R0.1 CC(N)CO MCULE-1361379423 [1,0,0,0,0,0|2,0,1]=4 367 B4R0.1 CC(N)CO MCULE-2098440985 [1,0,0,0,0,0|2,0,1]=4 368 B4R0.1 CC(O)CBr MCULE-7835094737 [1,0,0,0,0,0|2,0,1]=4 369 B4R0.1 CC(O)CCl MCULE-9140807958 [1,0,0,0,0,0|2,0,1]=4 370 B4R0.1 CC(O)CF MCULE-1023052065 [1,0,0,0,0,0|2,0,1]=4 371 B4R0.1 CC(O)CN MCULE-4370440652 [1,0,0,0,0,0|1,0,1]=3 372 B4R0.1 CC(O)CN MCULE-5694317743 [1,0,0,0,0,0|1,0,1]=3 373 B4R0.1 CC(O)CN MCULE-6406041538 [1,0,0,0,0,0|1,0,1]=3 374 B4R0.1 CC(O)CN MCULE-6636652305 [1,0,0,0,0,0|1,0,1]=3 375 B4R0.1 CC(O)CO MCULE-5574440784 [1,0,0,0,0,0|1,0,1]=3 376 B4R0.1 CC(O)CO MCULE-8743139013 [1,0,0,0,0,0|1,0,1]=3 377 B4R0.1 CC(O)CS MCULE-7881083356 [1,0,0,0,0,0|1,1,1]=4 378 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [1,0,0,0,0,0|1,0,2]=4 379 B4R0.1 CC(S)CN MCULE-1957568322 [1,0,0,0,0,0|1,1,1]=4 380 B4R0.1 CC(S)CN MCULE-7469442412 [1,0,0,0,0,0|1,1,1]=4 381 B4R0.1 CC(S)CO MCULE-5090908062 [1,0,0,0,0,0|1,1,1]=4 382 B4R0.1 CCB(O)O MCULE-1650960999 [1,0,0,0,0,0|2,0,1]=4 383 B4R0.1 CCC(=N)N MCULE-1856575742 [1,0,0,0,0,0|3,0,0]=4 384 B4R0.1 CCC(=N)N MCULE-2534386807 [1,0,0,0,0,0|3,0,0]=4 385 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,0,0,0,0,0|2,0,0]=3 386 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,0,0,0,0|2,0,0]=3 387 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,0,0,0,0,0|2,0,0]=3 388 B4R0.1 CCC(=O)F MCULE-8783887670 [1,0,0,0,0,0|2,0,0]=3 389 B4R0.1 CCC(=O)N MCULE-3730796130 [1,0,0,0,0,0|2,0,0]=3 390 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,0,0,0,0|1,0,0]=2 391 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,0,0,0,0|1,0,0]=2 392 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,0,0,0,0|1,1,0]=3 393 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,0,0,0,0,0|1,0,1]=3 394 B4R0.1 CCC(=S)N MCULE-3921479699 [1,0,0,0,0,0|2,1,0]=4 395 B4R0.1 CCC(C)O MCULE-4099350806 [1,0,0,0,0,0|2,0,1]=4 396 B4R0.1 CCC(C)O MCULE-5005120003 [1,0,0,0,0,0|2,0,1]=4 397 B4R0.1 CCN(=O)=O MCULE-6603591614 [1,0,0,0,0,0|2,0,1]=4 398 B4R0.1 CCS(=O)C MCULE-4400935745 [1,0,0,0,0,0|3,0,0]=4 399 B4R0.1 CCS(=O)O MCULE-9872932319 [1,0,0,0,0,0|2,0,0]=3 400 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [1,0,0,0,0,0|2,0,1]=4 401 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [1,0,0,0,0,0|2,0,1]=4 402 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [1,0,0,0,0,0|2,0,1]=4 403 B4R0.1 CC[C@H](C)O MCULE-3700911573 [1,0,0,0,0,0|2,0,1]=4 404 B4R0.1 CC[C@H](C)O MCULE-6063716138 [1,0,0,0,0,0|2,0,1]=4 405 B4R0.1 CNC(=O)C MCULE-2612997941 [1,0,0,0,0,0|3,0,0]=4 406 B4R0.1 CNC(=O)Cl MCULE-7743744606 [1,0,0,0,0,0|3,0,0]=4 407 B4R0.1 CNC(=O)N MCULE-6422331704 [1,0,0,0,0,0|3,0,0]=4 408 B4R0.1 COC(=N)C MCULE-2752794913 [1,0,0,0,0,0|3,0,0]=4 409 B4R0.1 COC(=N)C MCULE-2904991083 [1,0,0,0,0,0|3,0,0]=4 410 B4R0.1 COC(=N)N MCULE-1611076737 [1,0,0,0,0,0|3,0,0]=4 411 B4R0.1 COC(=N)N MCULE-4923904579 [1,0,0,0,0,0|3,0,0]=4 412 B4R0.1 COC(=N)N MCULE-6696789855 [1,0,0,0,0,0|3,0,0]=4 413 B4R0.1 COC(=N)N MCULE-9171600210 [1,0,0,0,0,0|3,0,0]=4 414 B4R0.1 COC(=O)C MCULE-7368066093 [1,0,0,0,0,0|2,0,0]=3 415 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,0,0,0,0,0|2,0,0]=3 416 B4R0.1 COC(=O)N MCULE-4070607369 [1,0,0,0,0,0|2,0,0]=3 417 B4R0.1 COC(=S)N MCULE-9414558443 [1,0,0,0,0,0|2,1,0]=4 418 B4R0.1 COC(=S)[S-] MCULE-4829872223 [1,0,0,0,0,0|1,2,0]=4 419 B4R0.1 COC(=S)[S-] MCULE-6509496630 [1,0,0,0,0,0|1,2,0]=4 420 B4R0.1 CSC(=O)C MCULE-7061634598 [1,0,0,0,0,0|2,1,0]=4 421 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [1,0,0,0,0,0|2,0,1]=4 422 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [1,0,0,0,0,0|2,0,1]=4 423 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [1,0,0,0,0,0|2,0,1]=4 424 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [1,0,0,0,0,0|2,0,1]=4 425 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [1,0,0,0,0,0|2,0,1]=4 426 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [1,0,0,0,0,0|2,0,1]=4 427 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [1,0,0,0,0,0|2,0,1]=4 428 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [1,0,0,0,0,0|2,0,1]=4 429 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [1,0,0,0,0,0|2,0,1]=4 430 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [1,0,0,0,0,0|2,0,1]=4 431 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [1,0,0,0,0,0|2,0,1]=4 432 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [1,0,0,0,0,0|2,0,1]=4 433 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [1,0,0,0,0,0|1,0,1]=3 434 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [1,0,0,0,0,0|1,0,1]=3 435 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [1,0,0,0,0,0|1,0,1]=3 436 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [1,0,0,0,0,0|1,1,1]=4 437 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [1,0,0,0,0,0|2,0,1]=4 438 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [1,0,0,0,0,0|2,0,1]=4 439 B4R0.1 C[C@H](F)CO MCULE-1024261541 [1,0,0,0,0,0|2,0,1]=4 440 B4R0.1 C[C@H](F)CO MCULE-7028098137 [1,0,0,0,0,0|2,0,1]=4 441 B4R0.1 C[C@H](N)CN MCULE-2048837128 [1,0,0,0,0,0|2,0,1]=4 442 B4R0.1 C[C@H](N)CN MCULE-4105152552 [1,0,0,0,0,0|2,0,1]=4 443 B4R0.1 C[C@H](N)CN MCULE-7106390536 [1,0,0,0,0,0|2,0,1]=4 444 B4R0.1 C[C@H](N)CN MCULE-9863306005 [1,0,0,0,0,0|2,0,1]=4 445 B4R0.1 C[C@H](N)CO MCULE-2471107013 [1,0,0,0,0,0|2,0,1]=4 446 B4R0.1 C[C@H](N)CO MCULE-5424195678 [1,0,0,0,0,0|2,0,1]=4 447 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [1,0,0,0,0,0|2,0,1]=4 448 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [1,0,0,0,0,0|2,0,1]=4 449 B4R0.1 C[C@H](O)CN MCULE-3227371869 [1,0,0,0,0,0|1,0,1]=3 450 B4R0.1 C[C@H](O)CN MCULE-5480489257 [1,0,0,0,0,0|1,0,1]=3 451 B4R0.1 C[C@H](O)CO MCULE-6582852191 [1,0,0,0,0,0|1,0,1]=3 452 B4R0.1 C[C@H](O)CO MCULE-8074793296 [1,0,0,0,0,0|1,0,1]=3 453 B4R0.1 C[C@H](O)CS MCULE-9061842733 [1,0,0,0,0,0|1,1,1]=4 454 B4R0.1 N=C(N)CCl MCULE-1495198330 [1,0,0,0,0,0|3,0,0]=4 455 B4R0.1 N=C(N)CCl MCULE-2087468158 [1,0,0,0,0,0|3,0,0]=4 456 B4R0.1 N=C(N)CF MCULE-4489534021 [1,0,0,0,0,0|3,0,0]=4 457 B4R0.1 N=C(N)CF MCULE-8858704396 [1,0,0,0,0,0|3,0,0]=4 458 B4R0.1 N=C(N)CN MCULE-2761790792 [1,0,0,0,0,0|2,0,0]=3 459 B4R0.1 N=C(N)CN MCULE-5131841850 [1,0,0,0,0,0|2,0,0]=3 460 B4R0.1 N=C(N)CN MCULE-6618111844 [1,0,0,0,0,0|2,0,0]=3 461 B4R0.1 N=C(N)CO MCULE-5146395919 [1,0,0,0,0,0|2,0,0]=3 462 B4R0.1 N=C(N)CO MCULE-8814507460 [1,0,0,0,0,0|2,0,0]=3 463 B4R0.1 N=C(N)NN MCULE-1109353559 [1,0,0,0,0,0|3,0,0]=4 464 B4R0.1 N=C(N)NN MCULE-3637328913 [1,0,0,0,0,0|3,0,0]=4 465 B4R0.1 N=C(N)NN MCULE-4551185793 [1,0,0,0,0,0|3,0,0]=4 466 B4R0.1 N=C(N)NN MCULE-8251830457 [1,0,0,0,0,0|3,0,0]=4 467 B4R0.1 N=C(N)NO MCULE-2554837832 [1,0,0,0,0,0|3,0,0]=4 468 B4R0.1 N=C(N)NO MCULE-5458374815 [1,0,0,0,0,0|3,0,0]=4 469 B4R0.1 N=C(N)NO MCULE-5913043834 [1,0,0,0,0,0|3,0,0]=4 470 B4R0.1 NC(=NO)N MCULE-7650923271 [1,0,0,0,0,0|3,0,0]=4 471 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,0,0,0,0,0|2,0,0]=3 472 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,0,0,0,0,0|2,0,0]=3 473 B4R0.1 NC(=O)CF MCULE-3344212657 [1,0,0,0,0,0|2,0,0]=3 474 B4R0.1 NC(=O)CI MCULE-4217973413 [1,0,0,0,0,0|2,0,0]=3 475 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,0,0,0,0|1,0,0]=2 476 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,0,0,0,0|1,1,0]=3 477 B4R0.1 NC(=O)NO MCULE-9465284053 [1,0,0,0,0,0|2,0,0]=3 478 B4R0.1 NC(=S)CF MCULE-7873791134 [1,0,0,0,0,0|2,1,0]=4 479 B4R0.1 NC(=S)CO MCULE-9301705313 [1,0,0,0,0,0|1,1,0]=3 480 B4R0.1 NCC(=O)N MCULE-1048848056 [1,0,0,0,0,0|1,0,0]=2 481 B4R0.1 NCC(=O)N MCULE-2174395809 [1,0,0,0,0,0|1,0,0]=2 482 B4R0.1 NCC(=O)N MCULE-6113166250 [1,0,0,0,0,0|1,0,0]=2 483 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,0,0,0,0|0,0,0]=1 484 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,0,0,0,0|0,0,0]=1 485 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,0,0,0,0|0,0,0]=1 486 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,0,0,0,0|0,0,0]=1 487 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,0,0,0,0|0,0,0]=1 488 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,0,0,0,0|0,1,0]=2 489 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [1,0,0,0,0,0|0,0,1]=2 490 B4R0.1 NCC(Cl)Cl MCULE-6022785182 [1,0,0,0,0,0|2,0,1]=4 491 B4R0.1 NCC(Cl)Cl MCULE-8181626787 [1,0,0,0,0,0|2,0,1]=4 492 B4R0.1 NCC(F)F MCULE-5562582586 [1,0,0,0,0,0|2,0,1]=4 493 B4R0.1 NCC(F)F MCULE-9437628707 [1,0,0,0,0,0|2,0,1]=4 494 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [1,0,0,0,0,0|1,0,1]=3 495 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [1,0,0,0,0,0|1,0,1]=3 496 B4R0.1 NN=C(N)N MCULE-4671721847 [1,0,0,0,0,0|3,0,0]=4 497 B4R0.1 NNC(=O)N MCULE-3392559370 [1,0,0,0,0,0|2,0,0]=3 498 B4R0.1 NNC(=O)N MCULE-8490374775 [1,0,0,0,0,0|2,0,0]=3 499 B4R0.1 NNC(=S)N MCULE-2970024636 [1,0,0,0,0,0|2,1,0]=4 500 B4R0.1 NNC(=S)N MCULE-6378380063 [1,0,0,0,0,0|2,1,0]=4 501 B4R0.1 O=C(Br)CBr MCULE-6031858200 [1,0,0,0,0,0|2,0,0]=3 502 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [1,0,0,0,0,0|2,0,0]=3 503 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [1,0,0,0,0,0|2,0,0]=3 504 B4R0.1 O=C(Cl)CF MCULE-7182087882 [1,0,0,0,0,0|2,0,0]=3 505 B4R0.1 O=C(Cl)CI MCULE-5719121455 [1,0,0,0,0,0|2,0,0]=3 506 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [1,0,0,0,0,0|2,1,0]=4 507 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,0,0,0,0|1,0,0]=2 508 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,0,0,0,0|1,0,0]=2 509 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,0,0,0,0|1,0,0]=2 510 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,0,0,0,0|1,0,0]=2 511 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,0,0,0,0|0,0,0]=1 512 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,0,0,0,0|0,1,0]=2 513 B4R0.1 O=C([O-])CF MCULE-8428965857 [1,0,0,0,0,0|1,0,1]=3 514 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,0,0,0,0|0,0,1]=2 515 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,0,0,0,0,0|0,1,1]=3 516 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,0,0,0,0,0|0,1,1]=3 517 B4R0.1 O=CC(=O)O MCULE-5307898766 [1,0,0,0,0,0|0,0,2]=3 518 B4R0.1 O=N(=O)CBr MCULE-5030744397 [1,0,0,0,0,0|2,0,1]=4 519 B4R0.1 O=N(=O)CF MCULE-9920695539 [1,0,0,0,0,0|2,0,1]=4 520 B4R0.1 O=S(O)CO MCULE-4195832185 [1,0,0,0,0,0|1,0,0]=2 521 B4R0.1 O=S([O-])CF MCULE-5711587598 [1,0,0,0,0,0|2,0,1]=4 522 B4R0.1 O=S([O-])CF MCULE-9276464291 [1,0,0,0,0,0|2,0,1]=4 523 B4R0.1 O=S([O-])CO MCULE-5211722344 [1,0,0,0,0,0|1,0,1]=3 524 B4R0.1 OB(O)CCl MCULE-1740750359 [1,0,0,0,0,0|2,0,1]=4 525 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [1,0,0,0,0,0|2,0,1]=4 526 B4R0.1 OCC(F)Br MCULE-5466660542 [1,0,0,0,0,0|2,0,1]=4 527 B4R0.1 OCC(F)F MCULE-3252378943 [1,0,0,0,0,0|2,0,1]=4 528 B4R0.1 ON=C(Br)Br MCULE-4053513648 [1,0,0,0,0,0|3,0,0]=4 529 B4R0.1 P(=O)(O)CN MCULE-5441171864 [1,0,0,0,0,0|1,0,0]=2 530 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [1,0,0,0,0,0|1,0,1]=3 531 B4R0.2 C#CCCN MCULE-1223656854 [1,0,0,0,0,0|2,0,1]=4 532 B4R0.2 C#CCCN MCULE-6408469965 [1,0,0,0,0,0|2,0,1]=4 533 B4R0.2 C#CCCO MCULE-1797559276 [1,0,0,0,0,0|2,0,1]=4 534 B4R0.2 C#CCCO MCULE-8743964065 [1,0,0,0,0,0|2,0,1]=4 535 B4R0.2 C#CCNN MCULE-4982688533 [1,0,0,0,0,0|2,0,1]=4 536 B4R0.2 C#CCNN MCULE-9271344952 [1,0,0,0,0,0|2,0,1]=4 537 B4R0.2 C#CCNO MCULE-7210831528 [1,0,0,0,0,0|3,0,0]=4 538 B4R0.2 C#CCNO MCULE-8082854360 [1,0,0,0,0,0|3,0,0]=4 539 B4R0.2 C#CCOC MCULE-9172422462 [1,0,0,0,0,0|2,0,1]=4 540 B4R0.2 C#CCON MCULE-1220634713 [1,0,0,0,0,0|1,0,1]=3 541 B4R0.2 C#CCON MCULE-5781631200 [1,0,0,0,0,0|1,0,1]=3 542 B4R0.2 C/C=C/C=O MCULE-9924705308 [1,0,0,0,0,0|2,0,1]=4 543 B4R0.2 C/C=C/OC MCULE-3906920304 [1,0,0,0,0,0|2,0,1]=4 544 B4R0.2 C=CCC#N MCULE-2566589348 [1,0,0,0,0,0|2,0,1]=4 545 B4R0.2 C=CCCBr MCULE-2890129103 [1,0,0,0,0,0|3,0,0]=4 546 B4R0.2 C=CCCC MCULE-8386546337 [1,0,0,0,0,0|3,0,0]=4 547 B4R0.2 C=CCCCl MCULE-5903789900 [1,0,0,0,0,0|3,0,0]=4 548 B4R0.2 C=CCCI MCULE-1055671394 [1,0,0,0,0,0|3,0,0]=4 549 B4R0.2 C=CCCN MCULE-2471716627 [1,0,0,0,0,0|2,0,0]=3 550 B4R0.2 C=CCCN MCULE-2881108697 [1,0,0,0,0,0|2,0,0]=3 551 B4R0.2 C=CCCO MCULE-4582400839 [1,0,0,0,0,0|2,0,1]=4 552 B4R0.2 C=CCNC MCULE-3335720336 [1,0,0,0,0,0|3,0,0]=4 553 B4R0.2 C=CCNN MCULE-2550690274 [1,0,0,0,0,0|2,0,0]=3 554 B4R0.2 C=CCNN MCULE-3554567414 [1,0,0,0,0,0|2,0,0]=3 555 B4R0.2 C=CCNN MCULE-8741523989 [1,0,0,0,0,0|2,0,0]=3 556 B4R0.2 C=CCOC MCULE-3321225771 [1,0,0,0,0,0|2,0,0]=3 557 B4R0.2 C=CCON MCULE-2094787759 [1,0,0,0,0,0|1,0,0]=2 558 B4R0.2 C=CCON MCULE-6222602533 [1,0,0,0,0,0|1,0,0]=2 559 B4R0.2 C=CCSC MCULE-4452023915 [1,0,0,0,0,0|2,1,0]=4 560 B4R0.2 C=CNC=O MCULE-8403928899 [1,0,0,0,0,0|3,0,0]=4 561 B4R0.2 CC#CC=O MCULE-9270622693 [1,0,0,0,0,0|2,0,1]=4 562 B4R0.2 CC=CC=O MCULE-2497362981 [1,0,0,0,0,0|2,0,1]=4 563 B4R0.2 CC=COC MCULE-6712403535 [1,0,0,0,0,0|2,0,1]=4 564 B4R0.2 CCCC=O MCULE-8530391347 [1,0,0,0,0,0|2,0,0]=3 565 B4R0.2 CCCCN MCULE-1731874934 [1,0,0,0,0,0|2,0,1]=4 566 B4R0.2 CCCCN MCULE-4233278050 [1,0,0,0,0,0|2,0,1]=4 567 B4R0.2 CCCCN MCULE-5242069370 [1,0,0,0,0,0|2,0,1]=4 568 B4R0.2 CCCCN MCULE-7343835253 [1,0,0,0,0,0|2,0,1]=4 569 B4R0.2 CCCCO MCULE-1571156443 [1,0,0,0,0,0|2,0,1]=4 570 B4R0.2 CCCNN MCULE-4121438775 [1,0,0,0,0,0|2,0,1]=4 571 B4R0.2 CCCNN MCULE-5875592228 [1,0,0,0,0,0|2,0,1]=4 572 B4R0.2 CCCNN MCULE-9585694661 [1,0,0,0,0,0|2,0,1]=4 573 B4R0.2 CCCOC MCULE-5854067718 [1,0,0,0,0,0|2,0,1]=4 574 B4R0.2 CCCON MCULE-4800172637 [1,0,0,0,0,0|1,0,1]=3 575 B4R0.2 CCCON MCULE-7988781002 [1,0,0,0,0,0|1,0,1]=3 576 B4R0.2 CCNC=O MCULE-9309926274 [1,0,0,0,0,0|3,0,0]=4 577 B4R0.2 CCOC=O MCULE-6245072161 [1,0,0,0,0,0|3,0,0]=4 578 B4R0.2 CNCCN MCULE-2881688448 [1,0,0,0,0,0|3,0,0]=4 579 B4R0.2 CNCCN MCULE-7199403269 [1,0,0,0,0,0|3,0,0]=4 580 B4R0.2 CNCCO MCULE-7051900771 [1,0,0,0,0,0|2,0,1]=4 581 B4R0.2 CNCCO MCULE-7934732981 [1,0,0,0,0,0|2,0,1]=4 582 B4R0.2 COCC#N MCULE-9178522865 [1,0,0,0,0,0|2,0,1]=4 583 B4R0.2 COCC=O MCULE-9427361019 [1,0,0,0,0,0|1,0,0]=2 584 B4R0.2 COCCBr MCULE-8316331262 [1,0,0,0,0,0|2,0,1]=4 585 B4R0.2 COCCCl MCULE-8886627413 [1,0,0,0,0,0|2,0,1]=4 586 B4R0.2 COCCI MCULE-9391124374 [1,0,0,0,0,0|2,0,1]=4 587 B4R0.2 COCCN MCULE-5051556646 [1,0,0,0,0,0|2,0,1]=4 588 B4R0.2 COCCN MCULE-7519068386 [1,0,0,0,0,0|2,0,1]=4 589 B4R0.2 COCCO MCULE-4751927883 [1,0,0,0,0,0|1,0,1]=3 590 B4R0.2 COCCS MCULE-7803276094 [1,0,0,0,0,0|1,1,1]=4 591 B4R0.2 COCOC MCULE-8559076702 [1,0,0,0,0,0|3,0,0]=4 592 B4R0.2 COCON MCULE-6032854331 [1,0,0,0,0,0|2,0,0]=3 593 B4R0.2 CSCCN MCULE-5168245255 [1,0,0,0,0,0|3,0,0]=4 594 B4R0.2 CSCCN MCULE-6275285732 [1,0,0,0,0,0|3,0,0]=4 595 B4R0.2 CSCCO MCULE-9706874325 [1,0,0,0,0,0|1,1,1]=4 596 B4R0.2 N#CCCN MCULE-8482296338 [1,0,0,0,0,0|2,0,1]=4 597 B4R0.2 N#CCCN MCULE-9518086954 [1,0,0,0,0,0|2,0,1]=4 598 B4R0.2 N#CCCO MCULE-5098987368 [1,0,0,0,0,0|1,0,2]=4 599 B4R0.2 N#CCNO MCULE-6808474875 [1,0,0,0,0,0|2,0,1]=4 600 B4R0.2 N#CCON MCULE-1849571406 [1,0,0,0,0,0|1,0,1]=3 601 B4R0.2 N#CCON MCULE-2156159928 [1,0,0,0,0,0|1,0,1]=3 602 B4R0.2 N/C=C/C=O MCULE-2444951625 [1,0,0,0,0,0|1,0,1]=3 603 B4R0.2 NC=CC=O MCULE-4070918342 [1,0,0,0,0,0|1,0,1]=3 604 B4R0.2 NCCCBr MCULE-5485748003 [1,0,0,0,0,0|2,0,1]=4 605 B4R0.2 NCCCBr MCULE-7072709972 [1,0,0,0,0,0|2,0,1]=4 606 B4R0.2 NCCCCl MCULE-1324157004 [1,0,0,0,0,0|2,0,1]=4 607 B4R0.2 NCCCCl MCULE-3667248190 [1,0,0,0,0,0|2,0,1]=4 608 B4R0.2 NCCCF MCULE-5215746973 [1,0,0,0,0,0|2,0,1]=4 609 B4R0.2 NCCCF MCULE-8077133369 [1,0,0,0,0,0|2,0,1]=4 610 B4R0.2 NCCCI MCULE-3534892097 [1,0,0,0,0,0|2,0,1]=4 611 B4R0.2 NCCCI MCULE-8010453546 [1,0,0,0,0,0|2,0,1]=4 612 B4R0.2 NCCCN MCULE-4293255820 [1,0,0,0,0,0|2,0,1]=4 613 B4R0.2 NCCCN MCULE-5041378433 [1,0,0,0,0,0|2,0,1]=4 614 B4R0.2 NCCCN MCULE-6944452060 [1,0,0,0,0,0|2,0,1]=4 615 B4R0.2 NCCCN MCULE-7375662153 [1,0,0,0,0,0|2,0,1]=4 616 B4R0.2 NCCCN MCULE-8277465929 [1,0,0,0,0,0|2,0,1]=4 617 B4R0.2 NCCCN MCULE-9929373126 [1,0,0,0,0,0|2,0,1]=4 618 B4R0.2 NCCCO MCULE-2851278356 [1,0,0,0,0,0|1,0,1]=3 619 B4R0.2 NCCCO MCULE-9698089092 [1,0,0,0,0,0|1,0,1]=3 620 B4R0.2 NCCCS MCULE-3994478020 [1,0,0,0,0,0|1,1,1]=4 621 B4R0.2 NCCCS MCULE-7730973866 [1,0,0,0,0,0|1,1,1]=4 622 B4R0.2 NCCON MCULE-3613980902 [1,0,0,0,0,0|1,0,1]=3 623 B4R0.2 NCCON MCULE-7030217952 [1,0,0,0,0,0|1,0,1]=3 624 B4R0.2 NCCON MCULE-8959912781 [1,0,0,0,0,0|1,0,1]=3 625 B4R0.2 NNCCF MCULE-2712460031 [1,0,0,0,0,0|2,0,1]=4 626 B4R0.2 NNCCF MCULE-8505927457 [1,0,0,0,0,0|2,0,1]=4 627 B4R0.2 NNCCO MCULE-1290652744 [1,0,0,0,0,0|1,0,1]=3 628 B4R0.2 NOCCBr MCULE-2796346082 [1,0,0,0,0,0|1,0,1]=3 629 B4R0.2 NOCCBr MCULE-5636354898 [1,0,0,0,0,0|1,0,1]=3 630 B4R0.2 NOCCCl MCULE-5981688956 [1,0,0,0,0,0|1,0,1]=3 631 B4R0.2 NOCCF MCULE-1813481600 [1,0,0,0,0,0|1,0,1]=3 632 B4R0.2 NOCCF MCULE-2993254805 [1,0,0,0,0,0|1,0,1]=3 633 B4R0.2 NOCCO MCULE-2545004367 [1,0,0,0,0,0|0,0,1]=2 634 B4R0.2 O=CCCBr MCULE-4107157458 [1,0,0,0,0,0|2,0,0]=3 635 B4R0.2 O=CCCCl MCULE-5863929313 [1,0,0,0,0,0|2,0,0]=3 636 B4R0.2 O=CCCI MCULE-9771140462 [1,0,0,0,0,0|2,0,0]=3 637 B4R0.2 O=CCCO MCULE-1685289763 [1,0,0,0,0,0|2,0,0]=3 638 B4R0.2 O=CNC=O MCULE-3098379420 [1,0,0,0,0,0|3,0,0]=4 639 B4R0.2 O=COC=O MCULE-6311384332 [1,0,0,0,0,0|3,0,0]=4 640 B4R0.2 O=C[N-]C=O MCULE-4923470284 [1,0,0,0,0,0|3,0,0]=4 641 B4R0.2 OC=CCCl MCULE-4750991393 [1,0,0,0,0,0|2,0,1]=4 642 B4R0.2 OCCCBr MCULE-3450011527 [1,0,0,0,0,0|2,0,1]=4 643 B4R0.2 OCCCCl MCULE-2319230957 [1,0,0,0,0,0|2,0,1]=4 644 B4R0.2 OCCCF MCULE-2347934403 [1,0,0,0,0,0|2,0,1]=4 645 B4R0.2 OCCCI MCULE-5200713967 [1,0,0,0,0,0|2,0,1]=4 646 B4R0.2 OCCCO MCULE-5166824786 [1,0,0,0,0,0|2,0,1]=4 647 B4R0.2 OCCCS MCULE-7930164048 [1,0,0,0,0,0|2,0,1]=4 648 B4R0.2 [NH3+]OCO[NH3+] MCULE-1014646507 [1,0,0,0,0,0|2,0,1]=4 649 B4R0.2 [NH3+]OCO[NH3+] MCULE-2130820760 [1,0,0,0,0,0|2,0,1]=4 650 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [0,1,0,0,0,0|3,0,0]=4 651 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [0,1,0,0,0,0|2,0,0]=3 652 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [0,1,0,0,0,0|2,0,1]=4 653 B6R0.1 C=C=CC(=O)OC MCULE-7885631451 [0,1,0,0,0,0|2,0,1]=4 654 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [0,1,0,0,0,0|3,0,0]=4 655 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,1,0,0,0,0|2,0,0]=3 656 B6R0.1 C=CC(O)CCN MCULE-9346205308 [0,1,0,0,0,0|2,0,1]=4 657 B6R0.1 C=CC/C(=N/O)/N MCULE-6681864760 [0,1,0,0,0,0|3,0,0]=4 658 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [0,1,0,0,0,0|3,0,0]=4 659 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [0,1,0,0,0,0|3,0,0]=4 660 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [0,1,0,0,0,0|3,0,0]=4 661 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [0,1,0,0,0,0|2,0,0]=3 662 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [0,1,0,0,0,0|2,0,1]=4 663 B6R0.1 CC(CO)CCN MCULE-9900244005 [0,1,0,0,0,0|2,0,1]=4 664 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [0,1,0,0,0,0|2,0,1]=4 665 B6R0.1 CCC(=O)CC#N MCULE-6150629588 [0,1,0,0,0,0|2,0,1]=4 666 B6R0.1 CCC(=O)CNC MCULE-3030105640 [0,1,0,0,0,0|3,0,0]=4 667 B6R0.1 CCC(=O)CNC MCULE-6945295017 [0,1,0,0,0,0|3,0,0]=4 668 B6R0.1 CCC(=O)COC MCULE-1087802011 [0,1,0,0,0,0|2,0,0]=3 669 B6R0.1 CCC(=O)CSC MCULE-3230433182 [0,1,0,0,0,0|2,1,0]=4 670 B6R0.1 CCC(=O)NOC MCULE-4440074406 [0,1,0,0,0,0|3,0,0]=4 671 B6R0.1 CCC(C)CON MCULE-7033012303 [0,1,0,0,0,0|2,0,1]=4 672 B6R0.1 CCC(O)CCN MCULE-5387303971 [0,1,0,0,0,0|2,0,1]=4 673 B6R0.1 CCC(O)CNN MCULE-1038166714 [0,1,0,0,0,0|2,0,1]=4 674 B6R0.1 CCC(O)CNN MCULE-6391104058 [0,1,0,0,0,0|2,0,1]=4 675 B6R0.1 CCC(O)COC MCULE-6751000060 [0,1,0,0,0,0|2,0,1]=4 676 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,1,0,0,0,0|3,0,0]=4 677 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,1,0,0,0,0|3,0,0]=4 678 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,1,0,0,0,0|3,0,0]=4 679 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,1,0,0,0,0|3,0,0]=4 680 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,1,0,0,0,0|3,0,0]=4 681 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,1,0,0,0,0|3,0,0]=4 682 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,1,0,0,0,0|3,0,0]=4 683 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,1,0,0,0,0|3,0,0]=4 684 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,1,0,0,0,0|2,0,0]=3 685 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,1,0,0,0,0|3,0,0]=4 686 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,1,0,0,0,0|3,0,0]=4 687 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,1,0,0,0,0|2,0,0]=3 688 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,1,0,0,0,0|2,0,0]=3 689 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,1,0,0,0,0|2,1,0]=4 690 B6R0.1 CCCC(=S)OC MCULE-8125476093 [0,1,0,0,0,0|2,1,0]=4 691 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,1,0,0,0,0|3,0,0]=4 692 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,1,0,0,0,0|3,0,0]=4 693 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,1,0,0,0,0|3,0,0]=4 694 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,1,0,0,0,0|3,0,0]=4 695 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,1,0,0,0,0|3,0,0]=4 696 B6R0.1 CCOC(=O)OC MCULE-1185162684 [0,1,0,0,0,0|3,0,0]=4 697 B6R0.1 CCS(=O)CCN MCULE-7201812983 [0,1,0,0,0,0|3,0,0]=4 698 B6R0.1 CCS(=O)CCN MCULE-7831905163 [0,1,0,0,0,0|3,0,0]=4 699 B6R0.1 CNC(=O)CC#N MCULE-2970000161 [0,1,0,0,0,0|2,0,1]=4 700 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [0,1,0,0,0,0|3,0,0]=4 701 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [0,1,0,0,0,0|3,0,0]=4 702 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,1,0,0,0,0|2,0,0]=3 703 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,1,0,0,0,0|2,0,0]=3 704 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,1,0,0,0,0|3,0,0]=4 705 B6R0.1 CNC(=O)CCS MCULE-2385806944 [0,1,0,0,0,0|3,0,0]=4 706 B6R0.1 CNC(=O)CON MCULE-6451598359 [0,1,0,0,0,0|1,0,0]=2 707 B6R0.1 CNC(=O)CON MCULE-8743298594 [0,1,0,0,0,0|1,0,0]=2 708 B6R0.1 CNCC(=O)NC MCULE-4579550577 [0,1,0,0,0,0|3,0,0]=4 709 B6R0.1 CNCC(=O)NC MCULE-7833395637 [0,1,0,0,0,0|3,0,0]=4 710 B6R0.1 CNCC(=O)NN MCULE-8639164023 [0,1,0,0,0,0|3,0,0]=4 711 B6R0.1 CNCC(=O)OC MCULE-1667683926 [0,1,0,0,0,0|2,0,0]=3 712 B6R0.1 CNCC(=O)OC MCULE-5530863658 [0,1,0,0,0,0|2,0,0]=3 713 B6R0.1 CNNC(=O)OC MCULE-4763095719 [0,1,0,0,0,0|3,0,0]=4 714 B6R0.1 COC(=N)CC#N MCULE-1828487034 [0,1,0,0,0,0|2,0,1]=4 715 B6R0.1 COC(=N)CC#N MCULE-5000327296 [0,1,0,0,0,0|2,0,1]=4 716 B6R0.1 COC(=N)CCCl MCULE-1997539408 [0,1,0,0,0,0|3,0,0]=4 717 B6R0.1 COC(=N)CCCl MCULE-2235564076 [0,1,0,0,0,0|3,0,0]=4 718 B6R0.1 COC(=N)CCO MCULE-1904978557 [0,1,0,0,0,0|3,0,0]=4 719 B6R0.1 COC(=N)CCO MCULE-8146089973 [0,1,0,0,0,0|3,0,0]=4 720 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [0,1,0,0,0,0|2,0,1]=4 721 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [0,1,0,0,0,0|2,0,1]=4 722 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [0,1,0,0,0,0|2,0,1]=4 723 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [0,1,0,0,0,0|2,0,1]=4 724 B6R0.1 COC(=O)C#CBr MCULE-2452280844 [0,1,0,0,0,0|2,0,1]=4 725 B6R0.1 COC(=O)C#CI MCULE-2688506741 [0,1,0,0,0,0|2,0,1]=4 726 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [0,1,0,0,0,0|2,0,1]=4 727 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [0,1,0,0,0,0|2,0,1]=4 728 B6R0.1 COC(=O)C=CI MCULE-1616048599 [0,1,0,0,0,0|2,0,1]=4 729 B6R0.1 COC(=O)C=CN MCULE-4685220707 [0,1,0,0,0,0|1,0,1]=3 730 B6R0.1 COC(=O)CC#N MCULE-2699345092 [0,1,0,0,0,0|1,0,1]=3 731 B6R0.1 COC(=O)CC=O MCULE-6624474559 [0,1,0,0,0,0|2,0,0]=3 732 B6R0.1 COC(=O)CCBr MCULE-3565567444 [0,1,0,0,0,0|2,0,0]=3 733 B6R0.1 COC(=O)CCCl MCULE-5034007224 [0,1,0,0,0,0|2,0,0]=3 734 B6R0.1 COC(=O)CCI MCULE-5984806612 [0,1,0,0,0,0|2,0,0]=3 735 B6R0.1 COC(=O)CCN MCULE-2306060188 [0,1,0,0,0,0|1,0,0]=2 736 B6R0.1 COC(=O)CCN MCULE-8245275833 [0,1,0,0,0,0|1,0,0]=2 737 B6R0.1 COC(=O)CCO MCULE-8538834260 [0,1,0,0,0,0|2,0,0]=3 738 B6R0.1 COC(=O)CCS MCULE-1695345183 [0,1,0,0,0,0|2,0,0]=3 739 B6R0.1 COC(=O)CNN MCULE-3287579794 [0,1,0,0,0,0|1,0,0]=2 740 B6R0.1 COC(=O)CNN MCULE-3838874166 [0,1,0,0,0,0|1,0,0]=2 741 B6R0.1 COC(=O)CON MCULE-4799038238 [0,1,0,0,0,0|0,0,0]=1 742 B6R0.1 COC(=O)CSC MCULE-6735536033 [0,1,0,0,0,0|1,1,0]=3 743 B6R0.1 COC(=O)N=C=S MCULE-2981767233 [0,1,0,0,0,0|3,0,0]=4 744 B6R0.1 COC(=O)NC=O MCULE-9852632340 [0,1,0,0,0,0|3,0,0]=4 745 B6R0.1 COC(=O)OCCl MCULE-7856529986 [0,1,0,0,0,0|3,0,0]=4 746 B6R0.1 COC(=O)OCF MCULE-4705008675 [0,1,0,0,0,0|3,0,0]=4 747 B6R0.1 COC(=O)OCI MCULE-8692720175 [0,1,0,0,0,0|3,0,0]=4 748 B6R0.1 COC(C)CCN MCULE-8081876282 [0,1,0,0,0,0|2,0,1]=4 749 B6R0.1 COC(C)CCN MCULE-8892057529 [0,1,0,0,0,0|2,0,1]=4 750 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [0,1,0,0,0,0|2,0,0]=3 751 B6R0.1 COCC(=N)OC MCULE-2350779439 [0,1,0,0,0,0|2,0,0]=3 752 B6R0.1 COCC(=N)OC MCULE-7810421458 [0,1,0,0,0,0|2,0,0]=3 753 B6R0.1 COCC(=O)CCl MCULE-7542636020 [0,1,0,0,0,0|2,0,0]=3 754 B6R0.1 COCC(=O)NN MCULE-4127487886 [0,1,0,0,0,0|2,0,0]=3 755 B6R0.1 COCC(=O)OC MCULE-8337685268 [0,1,0,0,0,0|1,0,0]=2 756 B6R0.1 COCC(C)C=O MCULE-7679332713 [0,1,0,0,0,0|2,0,1]=4 757 B6R0.1 COCC(C)CO MCULE-7663064542 [0,1,0,0,0,0|2,0,1]=4 758 B6R0.1 COCC(C)OC MCULE-1583498700 [0,1,0,0,0,0|2,0,1]=4 759 B6R0.1 COCC(N)CO MCULE-2141613120 [0,1,0,0,0,0|2,0,1]=4 760 B6R0.1 COCC(N)CO MCULE-3194232042 [0,1,0,0,0,0|2,0,1]=4 761 B6R0.1 COCC(N)CO MCULE-6545937769 [0,1,0,0,0,0|2,0,1]=4 762 B6R0.1 COCC(N)CO MCULE-7989665777 [0,1,0,0,0,0|2,0,1]=4 763 B6R0.1 COCC(O)C#N MCULE-2148015888 [0,1,0,0,0,0|2,0,1]=4 764 B6R0.1 COCC(O)CBr MCULE-6900294714 [0,1,0,0,0,0|2,0,1]=4 765 B6R0.1 COCC(O)CCl MCULE-9314630227 [0,1,0,0,0,0|2,0,1]=4 766 B6R0.1 COCC(O)CF MCULE-1938415887 [0,1,0,0,0,0|2,0,1]=4 767 B6R0.1 COCC(O)CN MCULE-2044547388 [0,1,0,0,0,0|2,0,1]=4 768 B6R0.1 COCC(O)CN MCULE-2145726384 [0,1,0,0,0,0|2,0,1]=4 769 B6R0.1 COCC(O)CN MCULE-3637597204 [0,1,0,0,0,0|2,0,1]=4 770 B6R0.1 COCC(O)CO MCULE-1154104224 [0,1,0,0,0,0|1,0,2]=4 771 B6R0.1 COC[C@@H](N)CO MCULE-2792470078 [0,1,0,0,0,0|2,0,1]=4 772 B6R0.1 COC[C@@H](N)CO MCULE-3805343572 [0,1,0,0,0,0|2,0,1]=4 773 B6R0.1 COC[C@@H](N)CO MCULE-7953239910 [0,1,0,0,0,0|2,0,1]=4 774 B6R0.1 COC[C@@H](N)CO MCULE-9178553914 [0,1,0,0,0,0|2,0,1]=4 775 B6R0.1 COC[C@@H](O)CN MCULE-2116679841 [0,1,0,0,0,0|2,0,1]=4 776 B6R0.1 COC[C@@H](O)CN MCULE-4198842123 [0,1,0,0,0,0|2,0,1]=4 777 B6R0.1 COC[C@@H](O)CN MCULE-6330998296 [0,1,0,0,0,0|2,0,1]=4 778 B6R0.1 COC[C@H](C)CO MCULE-3120475252 [0,1,0,0,0,0|2,0,1]=4 779 B6R0.1 COC[C@H](N)CO MCULE-1678153673 [0,1,0,0,0,0|2,0,1]=4 780 B6R0.1 COC[C@H](N)CO MCULE-2304967280 [0,1,0,0,0,0|2,0,1]=4 781 B6R0.1 COC[C@H](N)CO MCULE-6509090198 [0,1,0,0,0,0|2,0,1]=4 782 B6R0.1 COC[C@H](N)CO MCULE-9806530206 [0,1,0,0,0,0|2,0,1]=4 783 B6R0.1 COC[C@H](O)CN MCULE-1962346446 [0,1,0,0,0,0|2,0,1]=4 784 B6R0.1 COC[C@H](O)CN MCULE-6290984425 [0,1,0,0,0,0|2,0,1]=4 785 B6R0.1 CON(C)CCN MCULE-9318319159 [0,1,0,0,0,0|3,0,0]=4 786 B6R0.1 CONC(=O)OC MCULE-9304532248 [0,1,0,0,0,0|2,0,0]=3 787 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [0,1,0,0,0,0|2,1,0]=4 788 B6R0.1 CSCC(=O)NN MCULE-8151954663 [0,1,0,0,0,0|2,1,0]=4 789 B6R0.1 C[C@@H](CO)CCN MCULE-4422620011 [0,1,0,0,0,0|2,0,1]=4 790 B6R0.1 C[C@@H](CO)CCN MCULE-7560169391 [0,1,0,0,0,0|2,0,1]=4 791 B6R0.1 N#CC/C(=N\O)/N MCULE-7517473784 [0,1,0,0,0,0|2,0,1]=4 792 B6R0.1 N#CCC(=O)NN MCULE-9203133961 [0,1,0,0,0,0|2,0,1]=4 793 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [0,1,0,0,0,0|3,0,0]=4 794 B6R0.1 N=C(CCCl)NO MCULE-1713601074 [0,1,0,0,0,0|3,0,0]=4 795 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [0,1,0,0,0,0|2,0,0]=3 796 B6R0.1 NCCC(=O)CN MCULE-3906468943 [0,1,0,0,0,0|2,0,0]=3 797 B6R0.1 NCCC(=O)CN MCULE-9593243702 [0,1,0,0,0,0|2,0,0]=3 798 B6R0.1 NCCC(O)CN MCULE-9177974477 [0,1,0,0,0,0|2,0,1]=4 799 B6R0.1 NCCC(O)CO MCULE-2556586168 [0,1,0,0,0,0|1,0,2]=4 800 B6R0.1 NNC(=O)CCO MCULE-6184351353 [0,1,0,0,0,0|3,0,0]=4 801 B6R0.1 NNC(=O)CCS MCULE-9322963076 [0,1,0,0,0,0|3,0,0]=4 802 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [0,1,0,0,0,0|2,0,0]=3 803 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [0,1,0,0,0,0|3,0,0]=4 804 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,1,0,0,0,0|3,0,0]=4 805 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,1,0,0,0,0|2,0,0]=3 806 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,1,0,0,0,0|2,0,0]=3 807 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,1,0,0,0,0|2,0,1]=4 808 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,1,0,0,0,0|2,0,1]=4 809 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,1,0,0,0,0|2,0,1]=4 810 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,1,0,0,0,0|1,0,1]=3 811 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,1,0,0,0,0|2,0,1]=4 812 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,1,0,0,0,0|2,0,1]=4 813 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,1,0,0,0,0|2,0,1]=4 814 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,1,0,0,0,0|2,0,1]=4 815 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,1,0,0,0,0|3,0,0]=4 816 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,1,0,0,0,0|2,0,0]=3 817 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,1,0,0,0,0|2,0,0]=3 818 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,1,0,0,0,0|2,0,1]=4 819 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,1,0,0,0,0|2,0,1]=4 820 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,1,0,0,0,0|3,0,0]=4 821 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,1,0,0,0,0|2,0,0]=3 822 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,1,0,0,0,0|2,0,0]=3 823 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,1,0,0,0,0|3,0,0]=4 824 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,1,0,0,0,0|3,0,0]=4 825 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,1,0,0,0,0|3,0,0]=4 826 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,1,0,0,0,0|2,0,0]=3 827 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,1,0,0,0,0|2,0,0]=3 828 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,1,0,0,0,0|3,0,0]=4 829 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,1,0,0,0,0|3,0,0]=4 830 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,1,0,0,0,0|3,0,0]=4 831 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,1,0,0,0,0|2,0,0]=3 832 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,1,0,0,0,0|3,0,0]=4 833 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,1,0,0,0,0|3,0,0]=4 834 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,1,0,0,0,0|2,0,0]=3 835 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,1,0,0,0,0|3,0,0]=4 836 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,1,0,0,0,0|2,0,0]=3 837 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,1,0,0,0,0|2,0,0]=3 838 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,1,0,0,0,0|2,0,0]=3 839 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,1,0,0,0,0|2,0,0]=3 840 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,1,0,0,0,0|1,0,0]=2 841 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,1,0,0,0,0|1,0,0]=2 842 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,1,0,0,0,0|1,0,0]=2 843 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,1,0,0,0,0|1,0,0]=2 844 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,1,0,0,0,0|2,0,1]=4 845 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,1,0,0,0,0|3,0,0]=4 846 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,1,0,0,0,0|2,0,1]=4 847 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,1,0,0,0,0|2,0,0]=3 848 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,1,0,0,0,0|2,0,0]=3 849 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,1,0,0,0,0|2,0,1]=4 850 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,1,0,0,0,0|2,0,1]=4 851 B6R0.2 CC(O)CN(C)N MCULE-6197492770 [0,1,0,0,0,0|2,0,1]=4 852 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,1,0,0,0,0|3,0,0]=4 853 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,1,0,0,0,0|3,0,0]=4 854 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,1,0,0,0,0|3,0,0]=4 855 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,1,0,0,0,0|2,0,0]=3 856 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,1,0,0,0,0|2,0,0]=3 857 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,1,0,0,0,0|2,0,1]=4 858 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,1,0,0,0,0|1,0,0]=2 859 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,1,0,0,0,0|1,0,0]=2 860 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,1,0,0,0,0|1,0,0]=2 861 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,1,0,0,0,0|1,0,0]=2 862 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,1,0,0,0,0|2,0,0]=3 863 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,1,0,0,0,0|2,0,0]=3 864 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,1,0,0,0,0|2,0,1]=4 865 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,1,0,0,0,0|2,0,1]=4 866 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,1,0,0,0,0|2,0,0]=3 867 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,1,0,0,0,0|2,0,0]=3 868 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,1,0,0,0,0|1,0,0]=2 869 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,1,0,0,0,0|1,0,0]=2 870 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,1,0,0,0,0|1,0,0]=2 871 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,1,0,0,0,0|1,0,0]=2 872 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,1,0,0,0,0|2,0,0]=3 873 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,1,0,0,0,0|2,0,0]=3 874 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,1,0,0,0,0|2,0,1]=4 875 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,1,0,0,0,0|2,0,1]=4 876 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,1,0,0,0,0|1,1,1]=4 877 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,1,0,0,0,0|1,1,1]=4 878 B6R0.2 N=C(N)CC(=N)N MCULE-4863741442 [0,1,0,0,0,0|3,0,0]=4 879 B6R0.2 N=C(N)CC(=N)N MCULE-8523596922 [0,1,0,0,0,0|3,0,0]=4 880 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,1,0,0,0,0|2,0,0]=3 881 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,1,0,0,0,0|3,0,0]=4 882 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,1,0,0,0,0|3,0,0]=4 883 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,1,0,0,0,0|3,0,0]=4 884 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,1,0,0,0,0|3,0,0]=4 885 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,1,0,0,0,0|2,0,1]=4 886 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,1,0,0,0,0|2,0,0]=3 887 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,1,0,0,0,0|1,0,0]=2 888 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,1,0,0,0,0|2,0,0]=3 889 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,1,0,0,0,0|2,0,1]=4 890 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,1,0,0,0,0|2,0,1]=4 891 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,1,0,0,0,0|3,0,0]=4 892 B6R0.2 NC(=S)CC(=S)N MCULE-2555051271 [0,1,0,0,0,0|2,1,0]=4 893 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,1,0,0,0,0|1,0,0]=2 894 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,1,0,0,0,0|1,0,0]=2 895 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,1,0,0,0,0|3,0,0]=4 896 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,1,0,0,0,0|2,0,1]=4 897 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,1,0,0,0,0|2,0,1]=4 898 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,1,0,0,0,0|2,0,0]=3 899 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,1,0,0,0,0|2,0,0]=3 900 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,1,0,0,0,0|2,0,0]=3 901 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,1,0,0,0,0|2,0,0]=3 902 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,1,0,0,0,0|2,0,1]=4 903 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,1,0,0,0,0|2,0,1]=4 904 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [0,1,0,0,0,0|2,0,1]=4 905 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,1,0,0,0,0|2,0,0]=3 906 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,1,0,0,0,0|1,0,0]=2 907 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,1,0,0,0,0|3,0,0]=4 908 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,1,0,0,0,0|3,0,0]=4 909 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,1,0,0,0,0|2,0,1]=4 910 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,1,0,0,0,0|2,0,1]=4 911 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,1,0,0,0,0|2,0,1]=4 912 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,1,0,0,0,0|2,0,1]=4 913 B6R0.3 C=C(C#N)C(=O)O MCULE-1746285232 [0,1,0,0,0,0|1,0,2]=4 914 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,1,0,0,0,0|2,0,1]=4 915 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,1,0,0,0,0|2,0,1]=4 916 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,1,0,0,0,0|2,0,1]=4 917 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,1,0,0,0,0|1,0,1]=3 918 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,1,0,0,0,0|2,0,1]=4 919 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,1,0,0,0,0|2,0,0]=3 920 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,1,0,0,0,0|2,0,0]=3 921 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,1,0,0,0,0|2,0,0]=3 922 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,1,0,0,0,0|2,0,0]=3 923 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,1,0,0,0,0|2,0,0]=3 924 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,1,0,0,0,0|2,0,0]=3 925 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,1,0,0,0,0|2,0,0]=3 926 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,1,0,0,0,0|2,0,0]=3 927 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,1,0,0,0,0|2,0,0]=3 928 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,1,0,0,0,0|2,0,0]=3 929 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,1,0,0,0,0|2,0,0]=3 930 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,1,0,0,0,0|2,0,0]=3 931 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,1,0,0,0,0|2,0,0]=3 932 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,1,0,0,0,0|2,0,0]=3 933 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,1,0,0,0,0|2,0,0]=3 934 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,1,0,0,0,0|2,0,0]=3 935 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,1,0,0,0,0|2,0,0]=3 936 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,1,0,0,0,0|2,0,1]=4 937 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,1,0,0,0,0|2,0,1]=4 938 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,1,0,0,0,0|3,0,0]=4 939 B6R0.3 CC(=O)C(C)C#N MCULE-3849364002 [0,1,0,0,0,0|2,0,1]=4 940 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,1,0,0,0,0|3,0,0]=4 941 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,1,0,0,0,0|3,0,0]=4 942 B6R0.3 CC(=O)C(Cl)C#N MCULE-7984925847 [0,1,0,0,0,0|2,0,1]=4 943 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,1,0,0,0,0|3,0,0]=4 944 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,1,0,0,0,0|3,0,0]=4 945 B6R0.3 CC(C#N)C(=O)N MCULE-2138676966 [0,1,0,0,0,0|2,0,1]=4 946 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,1,0,0,0,0|1,0,1]=3 947 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,1,0,0,0,0|2,0,0]=3 948 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,1,0,0,0,0|2,0,0]=3 949 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,1,0,0,0,0|1,0,0]=2 950 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,1,0,0,0,0|1,0,0]=2 951 B6R0.3 CC(CN)S(=O)C MCULE-9048112625 [0,1,0,0,0,0|3,0,0]=4 952 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,1,0,0,0,0|2,0,0]=3 953 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,1,0,0,0,0|2,0,1]=4 954 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,1,0,0,0,0|2,0,0]=3 955 B6R0.3 CC(O)C(C)CN MCULE-5251700993 [0,1,0,0,0,0|2,0,1]=4 956 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [0,1,0,0,0,0|2,0,1]=4 957 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [0,1,0,0,0,0|2,0,1]=4 958 B6R0.3 CC(O)C(O)CN MCULE-6591390331 [0,1,0,0,0,0|2,0,1]=4 959 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,1,0,0,0,0|0,0,0]=1 960 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,1,0,0,0,0|0,0,0]=1 961 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,1,0,0,0,0|0,0,0]=1 962 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,1,0,0,0,0|0,0,0]=1 963 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,1,0,0,0,0|2,0,1]=4 964 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,1,0,0,0,0|2,0,1]=4 965 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,1,0,0,0,0|2,0,1]=4 966 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,1,0,0,0,0|2,0,1]=4 967 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,1,0,0,0,0|2,0,1]=4 968 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,1,0,0,0,0|2,0,1]=4 969 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,1,0,0,0,0|3,0,0]=4 970 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,1,0,0,0,0|3,0,0]=4 971 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,1,0,0,0,0|3,0,0]=4 972 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,1,0,0,0,0|3,0,0]=4 973 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,1,0,0,0,0|2,0,0]=3 974 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,1,0,0,0,0|3,0,0]=4 975 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,1,0,0,0,0|3,0,0]=4 976 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,1,0,0,0,0|3,0,0]=4 977 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,1,0,0,0,0|2,0,0]=3 978 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,1,0,0,0,0|2,0,0]=3 979 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,1,0,0,0,0|3,0,0]=4 980 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,1,0,0,0,0|3,0,0]=4 981 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,1,0,0,0,0|2,0,0]=3 982 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,1,0,0,0,0|2,0,0]=3 983 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,1,0,0,0,0|3,0,0]=4 984 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,1,0,0,0,0|3,0,0]=4 985 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,1,0,0,0,0|3,0,0]=4 986 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,1,0,0,0,0|3,0,0]=4 987 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,1,0,0,0,0|2,0,0]=3 988 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,1,0,0,0,0|2,0,0]=3 989 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,1,0,0,0,0|2,0,0]=3 990 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,1,0,0,0,0|2,0,0]=3 991 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,1,0,0,0,0|3,0,0]=4 992 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,1,0,0,0,0|2,0,0]=3 993 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,1,0,0,0,0|2,0,0]=3 994 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,1,0,0,0,0|2,0,1]=4 995 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,1,0,0,0,0|2,0,1]=4 996 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,1,0,0,0,0|3,0,0]=4 997 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,1,0,0,0,0|2,0,0]=3 998 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,1,0,0,0,0|2,0,0]=3 999 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,1,0,0,0,0|2,0,0]=3 1000 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,1,0,0,0,0|3,0,0]=4 1001 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,1,0,0,0,0|3,0,0]=4 1002 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,1,0,0,0,0|2,0,0]=3 1003 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,1,0,0,0,0|2,0,0]=3 1004 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,1,0,0,0,0|2,0,0]=3 1005 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,1,0,0,0,0|2,0,0]=3 1006 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,1,0,0,0,0|3,0,0]=4 1007 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,1,0,0,0,0|3,0,0]=4 1008 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,1,0,0,0,0|3,0,0]=4 1009 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,1,0,0,0,0|3,0,0]=4 1010 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,1,0,0,0,0|2,0,0]=3 1011 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,1,0,0,0,0|2,0,0]=3 1012 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,1,0,0,0,0|2,0,0]=3 1013 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,1,0,0,0,0|2,0,0]=3 1014 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,1,0,0,0,0|2,0,0]=3 1015 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,1,0,0,0,0|2,0,0]=3 1016 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,1,0,0,0,0|2,0,0]=3 1017 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,1,0,0,0,0|2,0,0]=3 1018 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,1,0,0,0,0|2,0,0]=3 1019 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,1,0,0,0,0|2,0,0]=3 1020 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,1,0,0,0,0|2,0,0]=3 1021 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,1,0,0,0,0|3,0,0]=4 1022 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,1,0,0,0,0|3,0,0]=4 1023 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,1,0,0,0,0|3,0,0]=4 1024 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,1,0,0,0,0|3,0,0]=4 1025 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,1,0,0,0,0|2,0,0]=3 1026 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,1,0,0,0,0|2,0,0]=3 1027 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,1,0,0,0,0|2,0,0]=3 1028 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,1,0,0,0,0|2,0,0]=3 1029 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,1,0,0,0,0|2,1,0]=4 1030 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,1,0,0,0,0|2,1,0]=4 1031 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,1,0,0,0,0|2,0,0]=3 1032 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,1,0,0,0,0|2,0,0]=3 1033 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,1,0,0,0,0|2,0,1]=4 1034 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,1,0,0,0,0|2,0,1]=4 1035 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,1,0,0,0,0|3,0,0]=4 1036 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,1,0,0,0,0|3,0,0]=4 1037 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,1,0,0,0,0|2,0,0]=3 1038 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,1,0,0,0,0|2,0,0]=3 1039 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,1,0,0,0,0|2,0,0]=3 1040 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,1,0,0,0,0|3,0,0]=4 1041 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,1,0,0,0,0|2,0,0]=3 1042 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,1,0,0,0,0|2,0,0]=3 1043 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,1,0,0,0,0|2,0,0]=3 1044 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,1,0,0,0,0|2,0,0]=3 1045 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,1,0,0,0,0|2,0,0]=3 1046 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,1,0,0,0,0|2,0,0]=3 1047 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,1,0,0,0,0|2,0,0]=3 1048 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [0,1,0,0,0,0|2,0,1]=4 1049 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [0,1,0,0,0,0|2,0,1]=4 1050 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,1,0,0,0,0|1,0,1]=3 1051 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [0,1,0,0,0,0|1,0,2]=4 1052 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,1,0,0,0,0|2,0,0]=3 1053 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,1,0,0,0,0|1,0,0]=2 1054 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,1,0,0,0,0|2,0,0]=3 1055 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,1,0,0,0,0|2,0,0]=3 1056 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,1,0,0,0,0|1,0,0]=2 1057 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [0,1,0,0,0,0|2,1,0]=4 1058 B6R0.3 COC(C)C(C)O MCULE-9844405908 [0,1,0,0,0,0|2,0,1]=4 1059 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,1,0,0,0,0|3,0,0]=4 1060 B6R0.3 CON(C)C(=O)Cl MCULE-7217619495 [0,1,0,0,0,0|3,0,0]=4 1061 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,1,0,0,0,0|2,0,0]=3 1062 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,1,0,0,0,0|1,0,0]=2 1063 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,1,0,0,0,0|1,0,0]=2 1064 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,1,0,0,0,0|1,0,0]=2 1065 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,1,0,0,0,0|1,0,0]=2 1066 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,1,0,0,0,0|2,1,0]=4 1067 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,1,0,0,0,0|1,1,0]=3 1068 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,1,0,0,0,0|1,0,0]=2 1069 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,1,0,0,0,0|1,0,0]=2 1070 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,1,0,0,0,0|1,0,0]=2 1071 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,1,0,0,0,0|1,0,0]=2 1072 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,1,0,0,0,0|2,0,0]=3 1073 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,1,0,0,0,0|2,0,0]=3 1074 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,1,0,0,0,0|0,0,0]=1 1075 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,1,0,0,0,0|0,0,0]=1 1076 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,1,0,0,0,0|1,0,0]=2 1077 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,1,0,0,0,0|1,0,0]=2 1078 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,1,0,0,0,0|1,0,0]=2 1079 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,1,0,0,0,0|1,0,0]=2 1080 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,1,0,0,0,0|2,0,0]=3 1081 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,1,0,0,0,0|2,0,0]=3 1082 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,1,0,0,0,0|2,0,1]=4 1083 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,1,0,0,0,0|0,0,0]=1 1084 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,1,0,0,0,0|0,0,0]=1 1085 B6R0.3 N#CC(Br)C(=O)N MCULE-3091108124 [0,1,0,0,0,0|2,0,1]=4 1086 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [0,1,0,0,0,0|2,0,1]=4 1087 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,1,0,0,0,0|3,0,0]=4 1088 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,1,0,0,0,0|3,0,0]=4 1089 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,1,0,0,0,0|3,0,0]=4 1090 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,1,0,0,0,0|3,0,0]=4 1091 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,1,0,0,0,0|3,0,0]=4 1092 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,1,0,0,0,0|3,0,0]=4 1093 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,1,0,0,0,0|3,0,0]=4 1094 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,1,0,0,0,0|3,0,0]=4 1095 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,1,0,0,0,0|3,0,0]=4 1096 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,1,0,0,0,0|3,0,0]=4 1097 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,1,0,0,0,0|3,0,0]=4 1098 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,1,0,0,0,0|3,0,0]=4 1099 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,1,0,0,0,0|3,0,0]=4 1100 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,1,0,0,0,0|3,0,0]=4 1101 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,1,0,0,0,0|2,0,0]=3 1102 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,1,0,0,0,0|2,0,0]=3 1103 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,1,0,0,0,0|2,0,0]=3 1104 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,1,0,0,0,0|2,0,0]=3 1105 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,1,0,0,0,0|2,0,0]=3 1106 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,1,0,0,0,0|2,0,0]=3 1107 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,1,0,0,0,0|2,0,0]=3 1108 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,1,0,0,0,0|2,0,0]=3 1109 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,1,0,0,0,0|2,0,0]=3 1110 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,1,0,0,0,0|2,0,0]=3 1111 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,1,0,0,0,0|1,0,0]=2 1112 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,1,0,0,0,0|1,0,0]=2 1113 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,1,0,0,0,0|1,0,0]=2 1114 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,1,0,0,0,0|1,0,0]=2 1115 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,1,0,0,0,0|1,0,0]=2 1116 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,1,0,0,0,0|1,0,0]=2 1117 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,1,0,0,0,0|1,0,0]=2 1118 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,1,0,0,0,0|1,0,0]=2 1119 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,1,0,0,0,0|1,0,0]=2 1120 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,1,0,0,0,0|2,0,0]=3 1121 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,1,0,0,0,0|2,0,0]=3 1122 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,1,0,0,0,0|1,0,0]=2 1123 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,1,0,0,0,0|1,0,0]=2 1124 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,1,0,0,0,0|1,0,0]=2 1125 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,1,0,0,0,0|1,0,0]=2 1126 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,1,0,0,0,0|1,0,0]=2 1127 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,1,0,0,0,0|1,0,0]=2 1128 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,1,0,0,0,0|1,0,0]=2 1129 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,1,0,0,0,0|1,0,0]=2 1130 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,1,0,0,0,0|1,0,0]=2 1131 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,1,0,0,0,0|1,0,0]=2 1132 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,1,0,0,0,0|1,0,0]=2 1133 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,1,0,0,0,0|1,0,0]=2 1134 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,1,0,0,0,0|1,0,0]=2 1135 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,1,0,0,0,0|1,0,0]=2 1136 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,1,0,0,0,0|1,0,0]=2 1137 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,1,0,0,0,0|1,0,0]=2 1138 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,1,0,0,0,0|1,0,0]=2 1139 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,1,0,0,0,0|1,0,0]=2 1140 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,1,0,0,0,0|1,0,0]=2 1141 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,1,0,0,0,0|1,0,0]=2 1142 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,1,0,0,0,0|1,0,0]=2 1143 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,1,0,0,0,0|1,0,0]=2 1144 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,1,0,0,0,0|1,0,0]=2 1145 B6R0.3 NNC(=O)C(=O)N MCULE-5080628360 [0,1,0,0,0,0|2,0,1]=4 1146 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,1,0,0,0,0|2,0,0]=3 1147 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,1,0,0,0,0|2,0,0]=3 1148 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,1,0,0,0,0|2,0,0]=3 1149 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,1,0,0,0,0|2,0,0]=3 1150 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,1,0,0,0,0|2,0,0]=3 1151 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,1,0,0,0,0|2,0,0]=3 1152 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,1,0,0,0,0|2,0,0]=3 1153 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,1,0,0,0,0|2,0,0]=3 1154 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,1,0,0,0,0|2,0,0]=3 1155 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,1,0,0,0,0|2,0,0]=3 1156 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,1,0,0,0,0|2,0,0]=3 1157 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,1,0,0,0,0|2,0,0]=3 1158 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,1,0,0,0,0|2,0,0]=3 1159 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,1,0,0,0,0|2,0,0]=3 1160 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,1,0,0,0,0|2,0,0]=3 1161 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,1,0,0,0,0|2,0,0]=3 1162 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,1,0,0,0,0|2,0,0]=3 1163 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,1,0,0,0,0|2,0,0]=3 1164 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,1,0,0,0,0|2,0,0]=3 1165 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,1,0,0,0,0|2,0,0]=3 1166 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,1,0,0,0,0|2,0,0]=3 1167 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,1,0,0,0,0|2,0,0]=3 1168 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,1,0,0,0,0|2,0,0]=3 1169 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,1,0,0,0,0|2,0,0]=3 1170 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,1,0,0,0,0|3,0,0]=4 1171 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [0,1,0,0,0,0|3,0,0]=4 1172 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [0,1,0,0,0,0|2,0,1]=4 1173 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [0,1,0,0,0,0|2,0,1]=4 1174 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,1,0,0,0,0|2,0,1]=4 1175 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,1,0,0,0,0|2,0,1]=4 1176 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,1,0,0,0,0|2,0,1]=4 1177 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,1,0,0,0,0|2,0,1]=4 1178 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,1,0,0,0,0|2,0,1]=4 1179 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,1,0,0,0,0|2,0,0]=3 1180 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,1,0,0,0,0|2,0,0]=3 1181 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,1,0,0,0,0|2,0,0]=3 1182 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,1,0,0,0,0|2,0,0]=3 1183 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,1,0,0,0,0|2,0,0]=3 1184 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,1,0,0,0,0|2,0,0]=3 1185 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,1,0,0,0,0|2,0,0]=3 1186 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,1,0,0,0,0|2,0,0]=3 1187 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,1,0,0,0,0|2,0,0]=3 1188 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,1,0,0,0,0|2,0,0]=3 1189 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,1,0,0,0,0|2,0,0]=3 1190 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,1,0,0,0,0|2,0,0]=3 1191 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,1,0,0,0,0|2,0,0]=3 1192 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,1,0,0,0,0|2,0,0]=3 1193 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,1,0,0,0,0|2,0,0]=3 1194 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,1,0,0,0,0|2,0,0]=3 1195 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,1,0,0,0,0|2,0,0]=3 1196 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,1,0,0,0,0|2,0,1]=4 1197 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,1,0,0,0,0|2,0,0]=3 1198 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,1,0,0,0,0|1,0,0]=2 1199 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,1,0,0,0,0|2,0,0]=3 1200 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,1,0,0,0,0|3,0,0]=4 1201 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,1,0,0,0,0|2,0,0]=3 1202 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,1,0,0,0,0|2,0,0]=3 1203 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [0,1,0,0,0,0|3,0,0]=4 1204 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [0,1,0,0,0,0|3,0,0]=4 1205 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [0,1,0,0,0,0|3,0,0]=4 1206 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [0,1,0,0,0,0|2,0,0]=3 1207 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [0,1,0,0,0,0|2,0,1]=4 1208 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [0,1,0,0,0,0|3,0,0]=4 1209 B6R0.4 C#CCNC(=O)N MCULE-4499144419 [0,1,0,0,0,0|3,0,0]=4 1210 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [0,1,0,0,0,0|3,0,0]=4 1211 B6R0.4 C#CCOC(=O)Cl MCULE-5453166266 [0,1,0,0,0,0|3,0,0]=4 1212 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [0,1,0,0,0,0|3,0,0]=4 1213 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [0,1,0,0,0,0|3,0,0]=4 1214 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,1,0,0,0,0|3,0,0]=4 1215 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [0,1,0,0,0,0|2,0,0]=3 1216 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [0,1,0,0,0,0|2,0,1]=4 1217 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [0,1,0,0,0,0|2,0,0]=3 1218 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [0,1,0,0,0,0|2,0,1]=4 1219 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [0,1,0,0,0,0|3,0,0]=4 1220 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [0,1,0,0,0,0|3,0,0]=4 1221 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,1,0,0,0,0|3,0,0]=4 1222 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,1,0,0,0,0|2,0,0]=3 1223 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [0,1,0,0,0,0|3,0,0]=4 1224 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [0,1,0,0,0,0|3,0,0]=4 1225 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,1,0,0,0,0|3,0,0]=4 1226 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [0,1,0,0,0,0|3,0,0]=4 1227 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,1,0,0,0,0|3,0,0]=4 1228 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,1,0,0,0,0|2,0,0]=3 1229 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [0,1,0,0,0,0|2,0,0]=3 1230 B6R0.4 CC(=CCCN)C MCULE-9185531904 [0,1,0,0,0,0|3,0,0]=4 1231 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [0,1,0,0,0,0|2,0,1]=4 1232 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,1,0,0,0,0|3,0,0]=4 1233 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,1,0,0,0,0|3,0,0]=4 1234 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,1,0,0,0,0|3,0,0]=4 1235 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,1,0,0,0,0|3,0,0]=4 1236 B6R0.4 CC(=O)CSC#N MCULE-5774397655 [0,1,0,0,0,0|1,1,1]=4 1237 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [0,1,0,0,0,0|2,0,1]=4 1238 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,1,0,0,0,0|3,0,0]=4 1239 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,1,0,0,0,0|2,0,0]=3 1240 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,1,0,0,0,0|3,0,0]=4 1241 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,1,0,0,0,0|3,0,0]=4 1242 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [0,1,0,0,0,0|2,0,1]=4 1243 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,1,0,0,0,0|3,0,0]=4 1244 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,1,0,0,0,0|3,0,0]=4 1245 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,1,0,0,0,0|2,0,0]=3 1246 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,1,0,0,0,0|2,0,0]=3 1247 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,1,0,0,0,0|3,0,0]=4 1248 B6R0.4 CC(=O)SCC#N MCULE-5864559051 [0,1,0,0,0,0|2,0,1]=4 1249 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,1,0,0,0,0|3,0,0]=4 1250 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,1,0,0,0,0|2,0,0]=3 1251 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,1,0,0,0,0|2,0,0]=3 1252 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,1,0,0,0,0|2,0,0]=3 1253 B6R0.4 CC(C)CCON MCULE-2653553816 [0,1,0,0,0,0|2,0,1]=4 1254 B6R0.4 CC(C)CCON MCULE-6468395078 [0,1,0,0,0,0|2,0,1]=4 1255 B6R0.4 CC(O)CCCN MCULE-3754805134 [0,1,0,0,0,0|2,0,1]=4 1256 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [0,1,0,0,0,0|2,0,1]=4 1257 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [0,1,0,0,0,0|2,0,0]=3 1258 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [0,1,0,0,0,0|2,0,1]=4 1259 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [0,1,0,0,0,0|2,0,1]=4 1260 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,1,0,0,0,0|3,0,0]=4 1261 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,1,0,0,0,0|3,0,0]=4 1262 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,1,0,0,0,0|3,0,0]=4 1263 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,1,0,0,0,0|3,0,0]=4 1264 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,1,0,0,0,0|2,0,0]=3 1265 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,1,0,0,0,0|2,0,1]=4 1266 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,1,0,0,0,0|3,0,0]=4 1267 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [0,1,0,0,0,0|3,0,0]=4 1268 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,1,0,0,0,0|3,0,0]=4 1269 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,1,0,0,0,0|3,0,0]=4 1270 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,1,0,0,0,0|3,0,0]=4 1271 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,1,0,0,0,0|3,0,0]=4 1272 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,1,0,0,0,0|3,0,0]=4 1273 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [0,1,0,0,0,0|3,0,0]=4 1274 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,1,0,0,0,0|3,0,0]=4 1275 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,1,0,0,0,0|3,0,0]=4 1276 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,1,0,0,0,0|3,0,0]=4 1277 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,1,0,0,0,0|3,0,0]=4 1278 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,1,0,0,0,0|2,0,0]=3 1279 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,1,0,0,0,0|2,0,0]=3 1280 B6R0.4 CCOCC(=N)N MCULE-3232806707 [0,1,0,0,0,0|3,0,0]=4 1281 B6R0.4 CCOCC(=N)N MCULE-4996987536 [0,1,0,0,0,0|3,0,0]=4 1282 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,1,0,0,0,0|2,0,0]=3 1283 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,1,0,0,0,0|2,0,0]=3 1284 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,1,0,0,0,0|1,0,0]=2 1285 B6R0.4 CCOCC(=S)N MCULE-7064672670 [0,1,0,0,0,0|2,1,0]=4 1286 B6R0.4 CCOCC(C)O MCULE-6224339526 [0,1,0,0,0,0|2,0,1]=4 1287 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [0,1,0,0,0,0|2,0,1]=4 1288 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,1,0,0,0,0|2,1,0]=4 1289 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,1,0,0,0,0|1,1,0]=3 1290 B6R0.4 CN(C)CCON MCULE-1981169712 [0,1,0,0,0,0|3,0,0]=4 1291 B6R0.4 CN(C)CCON MCULE-6706970282 [0,1,0,0,0,0|3,0,0]=4 1292 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,1,0,0,0,0|2,0,0]=3 1293 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,1,0,0,0,0|2,0,0]=3 1294 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,1,0,0,0,0|1,0,0]=2 1295 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,1,0,0,0,0|1,0,0]=2 1296 B6R0.4 CNCCC(C)O MCULE-1615526002 [0,1,0,0,0,0|2,0,1]=4 1297 B6R0.4 CNOCC(C)C MCULE-4779196887 [0,1,0,0,0,0|2,0,1]=4 1298 B6R0.4 CNOCC(C)C MCULE-7320343096 [0,1,0,0,0,0|2,0,1]=4 1299 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [0,1,0,0,0,0|2,0,1]=4 1300 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [0,1,0,0,0,0|1,0,1]=3 1301 B6R0.4 COC=CC(=O)C MCULE-4868833764 [0,1,0,0,0,0|2,0,1]=4 1302 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [0,1,0,0,0,0|2,0,1]=4 1303 B6R0.4 COC=CC(=O)O MCULE-4252899122 [0,1,0,0,0,0|1,0,1]=3 1304 B6R0.4 COCCC(=N)N MCULE-8118559492 [0,1,0,0,0,0|3,0,0]=4 1305 B6R0.4 COCCC(=N)N MCULE-9000138086 [0,1,0,0,0,0|3,0,0]=4 1306 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,1,0,0,0,0|2,0,0]=3 1307 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,1,0,0,0,0|2,0,0]=3 1308 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,1,0,0,0,0|2,0,0]=3 1309 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,1,0,0,0,0|1,0,0]=2 1310 B6R0.4 COCCC(C)O MCULE-6536001437 [0,1,0,0,0,0|2,0,1]=4 1311 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,1,0,0,0,0|2,0,0]=3 1312 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,1,0,0,0,0|2,0,0]=3 1313 B6R0.4 CON=CC(=O)O MCULE-6800819509 [0,1,0,0,0,0|1,0,1]=3 1314 B6R0.4 CS(=O)CCCN MCULE-1124989526 [0,1,0,0,0,0|3,0,0]=4 1315 B6R0.4 CS(=O)CCCN MCULE-8758903495 [0,1,0,0,0,0|3,0,0]=4 1316 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,1,0,0,0,0|2,1,0]=4 1317 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [0,1,0,0,0,0|2,1,0]=4 1318 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,1,0,0,0,0|2,1,0]=4 1319 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,1,0,0,0,0|1,1,0]=3 1320 B6R0.4 CSCOC(=O)C MCULE-1498769347 [0,1,0,0,0,0|2,1,0]=4 1321 B6R0.4 CSSCC(=O)O MCULE-5829510166 [0,1,0,0,0,0|1,1,0]=3 1322 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [0,1,0,0,0,0|1,0,2]=4 1323 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [0,1,0,0,0,0|1,0,1]=3 1324 B6R0.4 N#CCNC(=O)N MCULE-9927791118 [0,1,0,0,0,0|2,0,1]=4 1325 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [0,1,0,0,0,0|0,1,1]=3 1326 B6R0.4 N#C[Se]CC(=O)[O-] MCULE-6957286300 [0,1,0,0,0,0|0,1,2]=4 1327 B6R0.4 N#N=NCC(=O)N MCULE-8839477322 [0,1,0,0,0,0|2,0,1]=4 1328 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [0,1,0,0,0,0|1,0,1]=3 1329 B6R0.4 N/N=C/NC(=O)N MCULE-6272806279 [0,1,0,0,0,0|2,0,1]=4 1330 B6R0.4 N/N=C/NC(=O)N MCULE-7518775080 [0,1,0,0,0,0|2,0,1]=4 1331 B6R0.4 N=C(N)SCCN MCULE-1482556327 [0,1,0,0,0,0|3,0,0]=4 1332 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,1,0,0,0,0|3,0,0]=4 1333 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,1,0,0,0,0|3,0,0]=4 1334 B6R0.4 NC(=O)CN=C=S MCULE-1111706944 [0,1,0,0,0,0|3,0,0]=4 1335 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,1,0,0,0,0|3,0,0]=4 1336 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,1,0,0,0,0|3,0,0]=4 1337 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,1,0,0,0,0|3,0,0]=4 1338 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,1,0,0,0,0|3,0,0]=4 1339 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,1,0,0,0,0|3,0,0]=4 1340 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [0,1,0,0,0,0|1,0,1]=3 1341 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [0,1,0,0,0,0|1,0,1]=3 1342 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [0,1,0,0,0,0|1,0,1]=3 1343 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [0,1,0,0,0,0|1,0,1]=3 1344 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [0,1,0,0,0,0|2,0,0]=3 1345 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [0,1,0,0,0,0|2,0,0]=3 1346 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,1,0,0,0,0|2,0,0]=3 1347 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,1,0,0,0,0|2,0,0]=3 1348 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,1,0,0,0,0|1,0,0]=2 1349 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,1,0,0,0,0|1,0,0]=2 1350 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,1,0,0,0,0|2,0,0]=3 1351 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,1,0,0,0,0|2,0,0]=3 1352 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,1,0,0,0,0|2,0,0]=3 1353 B6R0.4 NCCNC(=S)N MCULE-7473616024 [0,1,0,0,0,0|2,1,0]=4 1354 B6R0.4 NCCNC(=S)N MCULE-7947010145 [0,1,0,0,0,0|2,1,0]=4 1355 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,1,0,0,0,0|2,0,0]=3 1356 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,1,0,0,0,0|2,0,0]=3 1357 B6R0.4 NCCON(=O)=O MCULE-1660868950 [0,1,0,0,0,0|2,0,1]=4 1358 B6R0.4 NCCON(=O)=O MCULE-5781896981 [0,1,0,0,0,0|2,0,1]=4 1359 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,1,0,0,0,0|0,0,0]=1 1360 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,1,0,0,0,0|0,0,0]=1 1361 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [0,1,0,0,0,0|3,0,0]=4 1362 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [0,1,0,0,0,0|3,0,0]=4 1363 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,1,0,0,0,0|3,0,0]=4 1364 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,1,0,0,0,0|3,0,0]=4 1365 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,1,0,0,0,0|3,0,0]=4 1366 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [0,1,0,0,0,0|2,0,1]=4 1367 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [0,1,0,0,0,0|2,0,1]=4 1368 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [0,1,0,0,0,0|2,0,1]=4 1369 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [0,1,0,0,0,0|2,0,1]=4 1370 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [0,1,0,0,0,0|2,0,1]=4 1371 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [0,1,0,0,0,0|2,0,1]=4 1372 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [0,1,0,0,0,0|2,0,1]=4 1373 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [0,1,0,0,0,0|2,0,1]=4 1374 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [0,1,0,0,0,0|2,0,1]=4 1375 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,1,0,0,0,0|2,0,0]=3 1376 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,1,0,0,0,0|2,0,0]=3 1377 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,1,0,0,0,0|2,0,0]=3 1378 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,1,0,0,0,0|2,0,0]=3 1379 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,1,0,0,0,0|2,0,0]=3 1380 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,1,0,0,0,0|2,0,0]=3 1381 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [0,1,0,0,0,0|2,0,1]=4 1382 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [0,1,0,0,0,0|2,0,1]=4 1383 B6R0.4 O=C([O-])C[N+]#C[K] MCULE-7657836645 [0,1,0,0,0,0|2,0,1]=4 1384 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,1,0,0,0,0|2,0,0]=3 1385 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [0,1,0,0,0,0|2,0,0]=3 1386 B6R0.5 C#CCS(=O)(=O)O MCULE-8861830302 [0,1,0,0,0,0|3,0,0]=4 1387 B6R0.5 C=CCS(=O)(=O)O MCULE-2373600268 [0,1,0,0,0,0|3,0,0]=4 1388 B6R0.5 CC(C)(C)CON MCULE-2962518041 [0,1,0,0,0,0|2,0,1]=4 1389 B6R0.5 CC(C)(C)CON MCULE-7840185186 [0,1,0,0,0,0|2,0,1]=4 1390 B6R0.5 CC(C)(N)CON MCULE-2272035336 [0,1,0,0,0,0|2,0,1]=4 1391 B6R0.5 CC(C)(O)CCN MCULE-1233177150 [0,1,0,0,0,0|2,0,1]=4 1392 B6R0.5 CC(C)(O)CNN MCULE-7127432403 [0,1,0,0,0,0|2,0,1]=4 1393 B6R0.5 CC(C)(O)CNN MCULE-8281516711 [0,1,0,0,0,0|2,0,1]=4 1394 B6R0.5 CC(C)(O)CON MCULE-1954965804 [0,1,0,0,0,0|1,0,1]=3 1395 B6R0.5 CC(C)(O)CON MCULE-9916686271 [0,1,0,0,0,0|1,0,1]=3 1396 B6R0.5 CC(F)(F)CON MCULE-6276721857 [0,1,0,0,0,0|2,0,1]=4 1397 B6R0.5 CC(F)(F)CON MCULE-9505701731 [0,1,0,0,0,0|2,0,1]=4 1398 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [0,1,0,0,0,0|3,0,0]=4 1399 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [0,1,0,0,0,0|3,0,0]=4 1400 B6R0.5 CNCP(=O)(O)O MCULE-6684762988 [0,1,0,0,0,0|3,0,0]=4 1401 B6R0.5 COCC(C)(C)O MCULE-2480013758 [0,1,0,0,0,0|2,0,1]=4 1402 B6R0.5 CS(=O)(=O)CCN MCULE-1321841891 [0,1,0,0,0,0|2,0,1]=4 1403 B6R0.5 CS(=O)(=O)CCN MCULE-2288346161 [0,1,0,0,0,0|2,0,1]=4 1404 B6R0.5 CS(=O)(=O)CCN MCULE-7691141389 [0,1,0,0,0,0|2,0,1]=4 1405 B6R0.5 NCCP(=O)(O)O MCULE-6030069631 [0,1,0,0,0,0|2,0,0]=3 1406 B6R0.5 NCCP(=O)(O)O MCULE-7710471805 [0,1,0,0,0,0|2,0,0]=3 1407 B6R0.5 NCCS(=O)(=O)F MCULE-5644302660 [0,1,0,0,0,0|2,0,1]=4 1408 B6R0.5 NCCS(=O)(=O)F MCULE-7750343881 [0,1,0,0,0,0|2,0,1]=4 1409 B6R0.5 NCCS(=O)(=O)N MCULE-1115068779 [0,1,0,0,0,0|2,0,1]=4 1410 B6R0.5 NCCS(=O)(=O)N MCULE-2765806178 [0,1,0,0,0,0|2,0,1]=4 1411 B6R0.5 NCCS(=O)(=O)O MCULE-6041857208 [0,1,0,0,0,0|2,0,0]=3 1412 B6R0.5 NCCS(=O)(=O)[O-] MCULE-8550332525 [0,1,0,0,0,0|2,0,1]=4 1413 B6R0.5 NOCC(F)(F)F MCULE-2794278304 [0,1,0,0,0,0|2,0,1]=4 1414 B6R0.5 NOCC(F)(F)F MCULE-3280554232 [0,1,0,0,0,0|2,0,1]=4 1415 B6R0.5 O=CCS(=O)(=O)O MCULE-1262210475 [0,1,0,0,0,0|3,0,0]=4 1416 B6R0.5 O=P(O)(O)CCBr MCULE-3355549967 [0,1,0,0,0,0|3,0,0]=4 1417 B6R0.5 O=P(O)(O)CCCl MCULE-4131416773 [0,1,0,0,0,0|3,0,0]=4 1418 B6R0.5 O=P(O)(O)CCO MCULE-9752100956 [0,1,0,0,0,0|3,0,0]=4 1419 B6R0.5 O=S(=O)(O)CCBr MCULE-3291252302 [0,1,0,0,0,0|3,0,0]=4 1420 B6R0.5 O=S(=O)(O)CCCl MCULE-9043359543 [0,1,0,0,0,0|3,0,0]=4 1421 B6R0.5 O=S(=O)(O)CCO MCULE-8075949368 [0,1,0,0,0,0|3,0,0]=4 1422 B6R0.5 O=S(=O)(O)CCS MCULE-1073050356 [0,1,0,0,0,0|3,0,0]=4 1423 B6R1.2 C1(CCNC1)O MCULE-2676539647 [0,0,0,1,0,0|2,0,1]=4 1424 B6R1.2 C1(CCNC1)O MCULE-4228466615 [0,0,0,1,0,0|2,0,1]=4 1425 B6R1.2 C1(CCOC1)O MCULE-3631749536 [0,0,0,1,0,0|2,0,1]=4 1426 B6R1.2 C=C1CCNC1 MCULE-7982953073 [0,0,0,1,0,0|3,0,0]=4 1427 B6R1.2 C=C1CCNC1 MCULE-8428731599 [0,0,0,1,0,0|3,0,0]=4 1428 B6R1.2 CC1=NNCC1 MCULE-1758510182 [0,0,0,1,0,0|3,0,0]=4 1429 B6R1.2 CC1CNOC1 MCULE-1071803164 [0,0,0,1,0,0|2,0,1]=4 1430 B6R1.2 CC1CNOC1 MCULE-9455391174 [0,0,0,1,0,0|2,0,1]=4 1431 B6R1.2 CC1COCO1 MCULE-9332316279 [0,0,0,1,0,0|2,0,1]=4 1432 B6R1.2 FC1CNOC1 MCULE-4837734523 [0,0,0,1,0,0|2,0,1]=4 1433 B6R1.2 FC1CNOC1 MCULE-6176254900 [0,0,0,1,0,0|2,0,1]=4 1434 B6R1.2 NC1=NNCC1 MCULE-4665265929 [0,0,0,1,0,0|3,0,0]=4 1435 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [0,0,0,1,0,0|3,0,0]=4 1436 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [0,0,0,1,0,0|2,0,1]=4 1437 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [0,0,0,1,0,0|2,0,1]=4 1438 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [0,0,0,1,0,0|2,1,0]=4 1439 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [0,0,0,1,0,0|3,0,0]=4 1440 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [0,0,0,1,0,0|2,0,1]=4 1441 B6R1.2 O=C1CCCC1 MCULE-9455227735 [0,0,0,1,0,0|3,0,0]=4 1442 B6R1.2 O=C1CCCN1 MCULE-3061780794 [0,0,0,1,0,0|3,0,0]=4 1443 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,0,0,1,0,0|2,0,0]=3 1444 B6R1.2 O=C1CCCS1 MCULE-5361654550 [0,0,0,1,0,0|2,1,0]=4 1445 B6R1.2 O=C1CCNC1 MCULE-2947789259 [0,0,0,1,0,0|2,0,0]=3 1446 B6R1.2 O=C1CCNC1 MCULE-7192595052 [0,0,0,1,0,0|2,0,0]=3 1447 B6R1.2 O=C1CCNN1 MCULE-7030953666 [0,0,0,1,0,0|2,0,0]=3 1448 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,0,0,1,0,0|2,0,0]=3 1449 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,0,0,1,0,0|3,0,0]=4 1450 B6R1.2 O=C1CCSC1 MCULE-2059655624 [0,0,0,1,0,0|2,1,0]=4 1451 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [0,0,0,1,0,0|2,0,1]=4 1452 B6R1.2 O=C1CNCN1 MCULE-2645891847 [0,0,0,1,0,0|3,0,0]=4 1453 B6R1.2 O=C1CNCN1 MCULE-9269137129 [0,0,0,1,0,0|3,0,0]=4 1454 B6R1.2 O=C1CSCN1 MCULE-3946660854 [0,0,0,1,0,0|2,1,0]=4 1455 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [0,0,0,1,0,0|3,0,0]=4 1456 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,0,0,1,0,0|3,0,0]=4 1457 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [0,0,0,1,0,0|3,0,0]=4 1458 B6R1.2 O=C1OCCO1 MCULE-9493253045 [0,0,0,1,0,0|3,0,0]=4 1459 B6R1.2 OC1=CNC=C1 MCULE-3938204755 [0,0,0,1,0,0|2,0,1]=4 1460 B6R1.2 OC1=CNC=N1 MCULE-1911765165 [0,0,0,1,0,0|3,0,0]=4 1461 B6R1.2 OC1=CNN=C1 MCULE-5672706063 [0,0,0,1,0,0|2,0,1]=4 1462 B6R1.2 OC1=CNN=C1 MCULE-5774317326 [0,0,0,1,0,0|2,0,1]=4 1463 B6R1.2 OC1=CON=C1 MCULE-9622003135 [0,0,0,1,0,0|1,0,2]=4 1464 B6R1.2 OC1=NOC=C1 MCULE-6441945551 [0,0,0,1,0,0|3,0,0]=4 1465 B6R1.2 OC1CCNC1 MCULE-4307402606 [0,0,0,1,0,0|2,0,1]=4 1466 B6R1.2 OC1CCNC1 MCULE-6745480350 [0,0,0,1,0,0|2,0,1]=4 1467 B6R1.2 OC1CCOC1 MCULE-4469581028 [0,0,0,1,0,0|2,0,1]=4 1468 B6R1.2 OC1CNOC1 MCULE-3414700581 [0,0,0,1,0,0|1,0,1]=3 1469 B6R1.2 OC1CNOC1 MCULE-8163403090 [0,0,0,1,0,0|1,0,1]=3 1470 B6R1.2 OC1CNOC1 MCULE-8644852072 [0,0,0,1,0,0|1,0,1]=3 1471 B6R1.2 OC1C[NH2+]OC1 MCULE-7865131527 [0,0,0,1,0,0|1,0,2]=4 1472 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [0,0,0,1,0,0|2,0,1]=4 1473 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [0,0,0,1,0,0|2,0,1]=4 1474 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [0,0,0,1,0,0|2,0,1]=4 1475 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [0,0,0,1,0,0|2,0,1]=4 1476 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [0,0,0,1,0,0|2,0,1]=4 1477 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [0,0,0,1,0,0|2,0,1]=4 1478 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [0,0,0,1,0,0|2,0,1]=4 1479 B6R1.2 O[C@@H]1CNOC1 MCULE-1481945185 [0,0,0,1,0,0|1,0,1]=3 1480 B6R1.2 O[C@@H]1CNOC1 MCULE-4156521353 [0,0,0,1,0,0|1,0,1]=3 1481 B6R1.2 O[C@@H]1CNOC1 MCULE-5692816168 [0,0,0,1,0,0|1,0,1]=3 1482 B6R1.2 O[C@@H]1CNOC1 MCULE-6838604903 [0,0,0,1,0,0|1,0,1]=3 1483 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [0,0,0,1,0,0|2,0,1]=4 1484 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [0,0,0,1,0,0|2,0,1]=4 1485 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [0,0,0,1,0,0|2,0,1]=4 1486 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [0,0,0,1,0,0|2,0,1]=4 1487 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [0,0,0,1,0,0|2,0,1]=4 1488 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [0,0,0,1,0,0|2,0,1]=4 1489 B6R1.2 O[C@H]1CNOC1 MCULE-1746817114 [0,0,0,1,0,0|1,0,1]=3 1490 B6R1.2 O[C@H]1CNOC1 MCULE-4469396812 [0,0,0,1,0,0|1,0,1]=3 1491 B6R1.2 O[C@H]1CNOC1 MCULE-7167785164 [0,0,0,1,0,0|1,0,1]=3 1492 B6R1.2 O[C@H]1CNOC1 MCULE-8409877332 [0,0,0,1,0,0|1,0,1]=3 1493 B6R1.3 COCC1CO1 MCULE-3193889854 [0,0,0,1,0,0|2,0,1]=4 1494 B6R1.3 COC[C@@H]1CO1 MCULE-8086795507 [0,0,0,1,0,0|2,0,1]=4 1495 B6R1.3 COC[C@@H]1CO1 MCULE-8921875584 [0,0,0,1,0,0|2,0,1]=4 1496 B6R1.3 COC[C@H]1CO1 MCULE-7210190703 [0,0,0,1,0,0|2,0,1]=4 1497 B6R1.3 COC[C@H]1CO1 MCULE-8979404390 [0,0,0,1,0,0|2,0,1]=4 1498 B6R1.3 NOCC1CC1 MCULE-3594146552 [0,0,0,1,0,0|2,0,1]=4 1499 B6R1.3 NOCC1CC1 MCULE-7376211865 [0,0,0,1,0,0|2,0,1]=4 1500 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,0,0,1,0,0|2,0,0]=3 1501 B6R1.5 C=C1CC(C1)N MCULE-4635717695 [0,0,0,1,0,0|3,0,0]=4 1502 B6R1.5 C=C1CC(C1)N MCULE-6992894696 [0,0,0,1,0,0|3,0,0]=4 1503 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,0,0,1,0,0|3,0,0]=4 1504 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,0,0,1,0,0|3,0,0]=4 1505 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,0,0,1,0,0|2,0,0]=3 1506 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [0,0,0,1,0,0|3,0,0]=4 1507 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [0,0,0,1,0,0|3,0,0]=4 1508 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,0,0,1,0,0|2,0,0]=3 1509 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,0,0,1,0,0|2,0,0]=3 1510 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,0,0,1,0,0|2,0,0]=3 1511 B6R1.5 NC1CC(C1)O MCULE-3800806511 [0,0,0,1,0,0|2,0,1]=4 1512 B6R1.5 NC1CC(C1)O MCULE-4101412744 [0,0,0,1,0,0|2,0,1]=4 1513 B6R1.5 NN1CC(C1)O MCULE-1883589988 [0,0,0,1,0,0|2,0,1]=4 1514 B6R1.5 NN1CC(C1)O MCULE-4736517920 [0,0,0,1,0,0|2,0,1]=4 1515 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-3690359453 [0,0,0,1,0,0|2,0,1]=4 1516 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-6031478808 [0,0,0,1,0,0|2,0,1]=4 1517 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2367486822 [0,0,0,1,0,0|2,0,1]=4 1518 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2477923057 [0,0,0,1,0,0|2,0,1]=4 1519 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [0,0,0,1,0,0|3,0,0]=4 1520 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [0,0,0,1,0,0|3,0,0]=4 1521 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,0,0,1,0,0|3,0,0]=4 1522 B6R1.10 CC1(COC1)O MCULE-9813168910 [0,0,0,1,0,0|2,0,1]=4 1523 B6R1.10 O=S1(=O)CCN1 MCULE-8786764000 [0,0,0,1,0,0|2,0,1]=4 1524 B6R1.11 C=C(C)C1CO1 MCULE-3656533343 [0,0,0,1,0,0|3,0,0]=4 1525 B6R1.11 C=C(Cl)C1CO1 MCULE-5190310903 [0,0,0,1,0,0|3,0,0]=4 1526 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [0,0,0,1,0,0|3,0,0]=4 1527 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,0,0,1,0,0|2,0,0]=3 1528 B6R1.11 CC(O)C1CO1 MCULE-2044990126 [0,0,0,1,0,0|2,0,1]=4 1529 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [0,0,0,1,0,0|3,0,0]=4 1530 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,0,0,1,0,0|2,0,0]=3 1531 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [0,0,0,1,0,0|3,0,0]=4 1532 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,0,0,1,0,0|2,0,0]=3 1533 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,0,0,1,0,0|1,0,0]=2 1534 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,0,0,1,0,0|1,0,0]=2 1535 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,0,0,1,0,0|1,0,0]=2 1536 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,0,0,1,0,0|1,0,0]=2 1537 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,0,0,1,0,0|1,0,0]=2 1538 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,0,0,1,0,0|1,0,0]=2 1539 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [0,0,0,1,0,0|1,0,1]=3 1540 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [0,0,0,1,0,0|1,0,1]=3 1541 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [0,0,0,1,0,0|1,0,1]=3 1542 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [0,0,0,1,0,0|1,0,1]=3 1543 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [0,0,0,1,0,0|1,0,1]=3 1544 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [0,0,0,1,0,0|1,0,1]=3 1545 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [0,0,0,1,0,0|1,0,1]=3 1546 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [0,0,0,1,0,0|1,0,1]=3 1547 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [0,0,0,1,0,0|3,0,0]=4 1548 B3R0.1 C#CC=O MCULE-4187736819 [2,0,0,0,0,0|1,0,1]=4 1549 B3R0.1 C#CCN MCULE-3201948975 [2,0,0,0,0,0|1,0,1]=4 1550 B3R0.1 C#CCN MCULE-6286515491 [2,0,0,0,0,0|1,0,1]=4 1551 B3R0.1 C#CCO MCULE-3909200923 [2,0,0,0,0,0|1,0,1]=4 1552 B3R0.1 C/C=N/O MCULE-2376410404 [2,0,0,0,0,0|2,0,0]=4 1553 B3R0.1 C=CC=O MCULE-2104890669 [2,0,0,0,0,0|1,0,1]=4 1554 B3R0.1 C=CCBr MCULE-9486454833 [2,0,0,0,0,0|2,0,0]=4 1555 B3R0.1 C=CCC MCULE-8167907130 [2,0,0,0,0,0|2,0,0]=4 1556 B3R0.1 C=CCCl MCULE-4067772785 [2,0,0,0,0,0|2,0,0]=4 1557 B3R0.1 C=CCF MCULE-7783191980 [2,0,0,0,0,0|2,0,0]=4 1558 B3R0.1 C=CCI MCULE-5037698873 [2,0,0,0,0,0|2,0,0]=4 1559 B3R0.1 C=CCN MCULE-2424616806 [2,0,0,0,0,0|1,0,0]=3 1560 B3R0.1 C=CCN MCULE-2473480946 [2,0,0,0,0,0|1,0,0]=3 1561 B3R0.1 C=CCO MCULE-2145308838 [2,0,0,0,0,0|1,0,0]=3 1562 B3R0.1 C=CCS MCULE-7270484838 [2,0,0,0,0,0|1,1,0]=4 1563 B3R0.1 C=COC MCULE-4880746684 [2,0,0,0,0,0|1,0,1]=4 1564 B3R0.1 CC=NO MCULE-9761317381 [2,0,0,0,0,0|2,0,0]=4 1565 B3R0.1 CCC=O MCULE-4079744837 [2,0,0,0,0,0|1,0,0]=3 1566 B3R0.1 CCCN MCULE-2885523792 [2,0,0,0,0,0|1,0,1]=4 1567 B3R0.1 CCCN MCULE-4318907091 [2,0,0,0,0,0|1,0,1]=4 1568 B3R0.1 CCCN MCULE-6330457870 [2,0,0,0,0,0|1,0,1]=4 1569 B3R0.1 CCCN MCULE-7146820007 [2,0,0,0,0,0|1,0,1]=4 1570 B3R0.1 CCCO MCULE-6252105126 [2,0,0,0,0,0|1,0,1]=4 1571 B3R0.1 CCNN MCULE-4753127904 [2,0,0,0,0,0|1,0,1]=4 1572 B3R0.1 CCNN MCULE-7630363192 [2,0,0,0,0,0|1,0,1]=4 1573 B3R0.1 CCNN MCULE-8402230944 [2,0,0,0,0,0|1,0,1]=4 1574 B3R0.1 CCNO MCULE-1215586669 [2,0,0,0,0,0|2,0,0]=4 1575 B3R0.1 CCNO MCULE-7075818857 [2,0,0,0,0,0|2,0,0]=4 1576 B3R0.1 CCON MCULE-5316082054 [2,0,0,0,0,0|0,0,1]=3 1577 B3R0.1 CCON MCULE-6621418839 [2,0,0,0,0,0|0,0,1]=3 1578 B3R0.1 CCO[NH3+] MCULE-7670481464 [2,0,0,0,0,0|0,0,2]=4 1579 B3R0.1 CCO[NH3+] MCULE-7871083232 [2,0,0,0,0,0|0,0,2]=4 1580 B3R0.1 CNC=O MCULE-4739122677 [2,0,0,0,0,0|2,0,0]=4 1581 B3R0.1 COC=O MCULE-9122749354 [2,0,0,0,0,0|1,0,0]=3 1582 B3R0.1 COCBr MCULE-2566721472 [2,0,0,0,0,0|2,0,0]=4 1583 B3R0.1 COCCl MCULE-5928768006 [2,0,0,0,0,0|2,0,0]=4 1584 B3R0.1 COCI MCULE-5215132549 [2,0,0,0,0,0|2,0,0]=4 1585 B3R0.1 N#CCN MCULE-6677928349 [2,0,0,0,0,0|1,0,1]=4 1586 B3R0.1 N#CCN MCULE-6699419972 [2,0,0,0,0,0|1,0,1]=4 1587 B3R0.1 N/C=N/O MCULE-9567664507 [2,0,0,0,0,0|1,0,1]=4 1588 B3R0.1 NCCBr MCULE-3401124597 [2,0,0,0,0,0|1,0,1]=4 1589 B3R0.1 NCCBr MCULE-6215378497 [2,0,0,0,0,0|1,0,1]=4 1590 B3R0.1 NCCCl MCULE-1458699843 [2,0,0,0,0,0|1,0,1]=4 1591 B3R0.1 NCCCl MCULE-6944306112 [2,0,0,0,0,0|1,0,1]=4 1592 B3R0.1 NCCF MCULE-1670520169 [2,0,0,0,0,0|1,0,1]=4 1593 B3R0.1 NCCF MCULE-4963351029 [2,0,0,0,0,0|1,0,1]=4 1594 B3R0.1 NCCI MCULE-6905308399 [2,0,0,0,0,0|1,0,1]=4 1595 B3R0.1 NCCI MCULE-7487764362 [2,0,0,0,0,0|1,0,1]=4 1596 B3R0.1 NCCN MCULE-4740333723 [2,0,0,0,0,0|1,0,1]=4 1597 B3R0.1 NCCN MCULE-6795272853 [2,0,0,0,0,0|1,0,1]=4 1598 B3R0.1 NCCN MCULE-8304126024 [2,0,0,0,0,0|1,0,1]=4 1599 B3R0.1 NCCN MCULE-8325612144 [2,0,0,0,0,0|1,0,1]=4 1600 B3R0.1 NCCO MCULE-5175116598 [2,0,0,0,0,0|0,0,1]=3 1601 B3R0.1 NCCO MCULE-8624730373 [2,0,0,0,0,0|0,0,1]=3 1602 B3R0.1 NCCS MCULE-1838427828 [2,0,0,0,0,0|0,1,1]=4 1603 B3R0.1 NCCS MCULE-2418938683 [2,0,0,0,0,0|0,1,1]=4 1604 B3R0.1 NNC=O MCULE-6986968107 [2,0,0,0,0,0|1,0,0]=3 1605 B3R0.1 NOC=O MCULE-4489199776 [2,0,0,0,0,0|0,0,0]=2 1606 B3R0.1 O=CC=O MCULE-3212938778 [2,0,0,0,0,0|0,0,2]=4 1607 B3R0.1 O=CCBr MCULE-9076011270 [2,0,0,0,0,0|1,0,0]=3 1608 B3R0.1 O=CCCl MCULE-7307216184 [2,0,0,0,0,0|1,0,0]=3 1609 B3R0.1 O=CCI MCULE-1146810366 [2,0,0,0,0,0|1,0,0]=3 1610 B3R0.1 OCCBr MCULE-5097256006 [2,0,0,0,0,0|1,0,1]=4 1611 B3R0.1 OCCCl MCULE-5139580173 [2,0,0,0,0,0|1,0,1]=4 1612 B3R0.1 OCCF MCULE-7590677201 [2,0,0,0,0,0|1,0,1]=4 1613 B3R0.1 OCCI MCULE-8359750387 [2,0,0,0,0,0|1,0,1]=4 1614 B3R0.1 OCCO MCULE-6366313128 [2,0,0,0,0,0|0,0,1]=3 1615 B3R0.1 OCCS MCULE-2252943288 [2,0,0,0,0,0|0,1,1]=4 1616 B3R0.2 C=C(C)Br MCULE-7805530064 [2,0,0,0,0,0|2,0,0]=4 1617 B3R0.2 C=C(C)C MCULE-5640095130 [2,0,0,0,0,0|2,0,0]=4 1618 B3R0.2 C=C(C)Cl MCULE-1752401095 [2,0,0,0,0,0|2,0,0]=4 1619 B3R0.2 C=C(C)F MCULE-3213198231 [2,0,0,0,0,0|2,0,0]=4 1620 B3R0.2 CB(O)O MCULE-3510763826 [2,0,0,0,0,0|1,0,1]=4 1621 B3R0.2 CC(=N)N MCULE-3235425606 [2,0,0,0,0,0|2,0,0]=4 1622 B3R0.2 CC(=N)N MCULE-3546679379 [2,0,0,0,0,0|2,0,0]=4 1623 B3R0.2 CC(=N)N MCULE-3597638887 [2,0,0,0,0,0|2,0,0]=4 1624 B3R0.2 CC(=N)N MCULE-9831274654 [2,0,0,0,0,0|2,0,0]=4 1625 B3R0.2 CC(=O)Br MCULE-4892265063 [2,0,0,0,0,0|1,0,0]=3 1626 B3R0.2 CC(=O)C MCULE-6679625040 [2,0,0,0,0,0|1,0,0]=3 1627 B3R0.2 CC(=O)Cl MCULE-9041746362 [2,0,0,0,0,0|1,0,0]=3 1628 B3R0.2 CC(=O)I MCULE-4812718701 [2,0,0,0,0,0|1,0,0]=3 1629 B3R0.2 CC(=O)N MCULE-9280264861 [2,0,0,0,0,0|1,0,0]=3 1630 B3R0.2 CC(=O)O MCULE-1502330578 [2,0,0,0,0,0|0,0,0]=2 1631 B3R0.2 CC(=O)O MCULE-5514028500 [2,0,0,0,0,0|0,0,0]=2 1632 B3R0.2 CC(=O)O MCULE-5942589566 [2,0,0,0,0,0|0,0,0]=2 1633 B3R0.2 CC(=O)O MCULE-6780070129 [2,0,0,0,0,0|0,0,0]=2 1634 B3R0.2 CC(=O)O MCULE-8295936189 [2,0,0,0,0,0|0,0,0]=2 1635 B3R0.2 CC(=O)O MCULE-9103972283 [2,0,0,0,0,0|0,0,0]=2 1636 B3R0.2 CC(=O)O MCULE-9900518424 [2,0,0,0,0,0|0,0,0]=2 1637 B3R0.2 CC(=O)S MCULE-5769447035 [2,0,0,0,0,0|0,1,0]=3 1638 B3R0.2 CC(=O)[O-] MCULE-2314460022 [2,0,0,0,0,0|0,0,1]=3 1639 B3R0.2 CC(=O)[O-] MCULE-2960771771 [2,0,0,0,0,0|0,0,1]=3 1640 B3R0.2 CC(=O)[O-] MCULE-5334052410 [2,0,0,0,0,0|0,0,1]=3 1641 B3R0.2 CC(=O)[O-] MCULE-5482908386 [2,0,0,0,0,0|0,0,1]=3 1642 B3R0.2 CC(=O)[O-] MCULE-9723570182 [2,0,0,0,0,0|0,0,1]=3 1643 B3R0.2 CC(=O)[O-] MCULE-9910426896 [2,0,0,0,0,0|0,0,1]=3 1644 B3R0.2 CC(=S)N MCULE-4635097605 [2,0,0,0,0,0|1,1,0]=4 1645 B3R0.2 CC(=S)[O-] MCULE-1878530758 [2,0,0,0,0,0|0,1,1]=4 1646 B3R0.2 CC(C)O MCULE-6646752234 [2,0,0,0,0,0|1,0,1]=4 1647 B3R0.2 CN(=O)=O MCULE-8704524604 [2,0,0,0,0,0|1,0,1]=4 1648 B3R0.2 CN(C)O MCULE-6572915706 [2,0,0,0,0,0|2,0,0]=4 1649 B3R0.2 CN(C)O MCULE-6950647562 [2,0,0,0,0,0|2,0,0]=4 1650 B3R0.2 CP(=O)C MCULE-6150886622 [2,0,0,0,0,0|2,0,0]=4 1651 B3R0.2 CS(=O)C MCULE-2005841258 [2,0,0,0,0,0|2,0,0]=4 1652 B3R0.2 CS(=O)Cl MCULE-1292201352 [2,0,0,0,0,0|2,0,0]=4 1653 B3R0.2 CS(=O)N MCULE-5162949591 [2,0,0,0,0,0|2,0,0]=4 1654 B3R0.2 CS(=O)O MCULE-8711306710 [2,0,0,0,0,0|1,0,0]=3 1655 B3R0.2 CS(=O)[O-] MCULE-1437194827 [2,0,0,0,0,0|1,0,1]=4 1656 B3R0.2 C[Se](=O)C MCULE-4596040471 [2,0,0,0,0,0|2,0,0]=4 1657 B3R0.2 C[Se](=O)O MCULE-5568767851 [2,0,0,0,0,0|1,0,0]=3 1658 B3R0.2 N=C(N)Cl MCULE-4764134011 [2,0,0,0,0,0|2,0,0]=4 1659 B3R0.2 N=C(N)Cl MCULE-7852054677 [2,0,0,0,0,0|2,0,0]=4 1660 B3R0.2 N=C(N)N MCULE-1152750770 [2,0,0,0,0,0|2,0,0]=4 1661 B3R0.2 N=C(N)N MCULE-1411566696 [2,0,0,0,0,0|2,0,0]=4 1662 B3R0.2 N=C(N)N MCULE-4266731066 [2,0,0,0,0,0|2,0,0]=4 1663 B3R0.2 N=C(N)N MCULE-5921771392 [2,0,0,0,0,0|2,0,0]=4 1664 B3R0.2 N=C(N)N MCULE-6036914599 [2,0,0,0,0,0|2,0,0]=4 1665 B3R0.2 N=C(N)N MCULE-6164013415 [2,0,0,0,0,0|2,0,0]=4 1666 B3R0.2 N=C(N)N MCULE-9649225484 [2,0,0,0,0,0|2,0,0]=4 1667 B3R0.2 NC(=O)N MCULE-3224868954 [2,0,0,0,0,0|1,0,0]=3 1668 B3R0.2 NC(=O)N MCULE-8513891094 [2,0,0,0,0,0|1,0,0]=3 1669 B3R0.2 NC(=O)O MCULE-1579038047 [2,0,0,0,0,0|0,0,0]=2 1670 B3R0.2 NC(=O)O MCULE-3232812015 [2,0,0,0,0,0|0,0,0]=2 1671 B3R0.2 NC(=S)N MCULE-5046264236 [2,0,0,0,0,0|1,1,0]=4 1672 B3R0.2 NC(=S)S MCULE-6182511253 [2,0,0,0,0,0|0,2,0]=4 1673 B3R0.2 NC(=S)[S-] MCULE-1680327465 [2,0,0,0,0,0|0,2,0]=4 1674 B3R0.2 NC(=[Se])N MCULE-3936244532 [2,0,0,0,0,0|1,1,0]=4 1675 B3R0.2 O=C(Cl)[Au] MCULE-6601882022 [2,0,0,0,0,0|2,0,0]=4 1676 B3R0.2 O=C(O)O MCULE-3743781291 [2,0,0,0,0,0|0,0,0]=2 1677 B3R0.2 O=C(O)O MCULE-6373078171 [2,0,0,0,0,0|0,0,0]=2 1678 B3R0.2 O=C([O-])O MCULE-5529655359 [2,0,0,0,0,0|0,0,1]=3 1679 B3R0.2 O=C([O-])O MCULE-7293729150 [2,0,0,0,0,0|0,0,1]=3 1680 B3R0.2 O=C([O-])[O-] MCULE-1092668330 [2,0,0,0,0,0|0,0,2]=4 1681 B3R0.2 O=C([O-])[O-] MCULE-1095103800 [2,0,0,0,0,0|0,0,2]=4 1682 B3R0.2 O=C([O-])[O-] MCULE-1597066471 [2,0,0,0,0,0|0,0,2]=4 1683 B3R0.2 O=C([O-])[O-] MCULE-2005483457 [2,0,0,0,0,0|0,0,2]=4 1684 B3R0.2 O=C([O-])[O-] MCULE-3299525070 [2,0,0,0,0,0|0,0,2]=4 1685 B3R0.2 O=C([O-])[O-] MCULE-4074516840 [2,0,0,0,0,0|0,0,2]=4 1686 B3R0.2 O=C([O-])[O-] MCULE-4180727513 [2,0,0,0,0,0|0,0,2]=4 1687 B3R0.2 O=C([O-])[O-] MCULE-4294265087 [2,0,0,0,0,0|0,0,2]=4 1688 B3R0.2 O=C([O-])[O-] MCULE-5127021441 [2,0,0,0,0,0|0,0,2]=4 1689 B3R0.2 O=C([O-])[O-] MCULE-5345790821 [2,0,0,0,0,0|0,0,2]=4 1690 B3R0.2 O=C([O-])[O-] MCULE-6214917073 [2,0,0,0,0,0|0,0,2]=4 1691 B3R0.2 O=C([O-])[O-] MCULE-6757968396 [2,0,0,0,0,0|0,0,2]=4 1692 B3R0.2 O=C([O-])[O-] MCULE-7714638074 [2,0,0,0,0,0|0,0,2]=4 1693 B3R0.2 O=C([O-])[O-] MCULE-8731559807 [2,0,0,0,0,0|0,0,2]=4 1694 B3R0.2 O=I(=O)O MCULE-6335954469 [2,0,0,0,0,0|1,0,1]=4 1695 B3R0.2 O=I(=O)O MCULE-7906123102 [2,0,0,0,0,0|1,0,1]=4 1696 B3R0.2 O=N(=O)O MCULE-5926867268 [2,0,0,0,0,0|1,0,1]=4 1697 B3R0.2 O=N(=O)O MCULE-8501453871 [2,0,0,0,0,0|1,0,1]=4 1698 B3R0.2 O=P(=O)O MCULE-3007887617 [2,0,0,0,0,0|1,0,1]=4 1699 B3R0.2 O=P(O)O MCULE-8889145943 [2,0,0,0,0,0|1,0,0]=3 1700 B3R0.2 O=P([O-])O MCULE-3773885400 [2,0,0,0,0,0|1,0,1]=4 1701 B3R0.2 O=P([O-])O MCULE-6745348516 [2,0,0,0,0,0|1,0,1]=4 1702 B3R0.2 O=S(=O)O MCULE-7070708516 [2,0,0,0,0,0|1,0,1]=4 1703 B3R0.2 O=S(O)O MCULE-3188569799 [2,0,0,0,0,0|1,0,0]=3 1704 B3R0.2 O=S(O)O MCULE-7812738469 [2,0,0,0,0,0|1,0,0]=3 1705 B3R0.2 O=[Se](O)O MCULE-9081277469 [2,0,0,0,0,0|1,0,0]=3 1706 B3R0.2 O=[Si](O)O MCULE-3228936275 [2,0,0,0,0,0|0,1,0]=3 1707 B3R0.2 OB(O)O MCULE-2905906674 [2,0,0,0,0,0|1,0,1]=4 1708 B3R0.2 OB(O)O MCULE-8095091838 [2,0,0,0,0,0|1,0,1]=4 1709 B3R0.2 OP(O)O MCULE-9313199709 [2,0,0,0,0,0|1,0,1]=4 1710 B5R0.3 C#CC(=O)CC MCULE-1563732373 [1,1,0,0,0,0|2,0,0]=4 1711 B5R0.3 C#CC(=O)OC MCULE-5108326717 [1,1,0,0,0,0|1,0,1]=4 1712 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [1,1,0,0,0,0|1,0,1]=4 1713 B5R0.3 C=C(C#N)CO MCULE-4330549804 [1,1,0,0,0,0|2,0,0]=4 1714 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,1,0,0,0,0|2,0,0]=4 1715 B5R0.3 C=C(CC)CN MCULE-2269385026 [1,1,0,0,0,0|2,0,0]=4 1716 B5R0.3 C=C(CC)CN MCULE-3033447984 [1,1,0,0,0,0|2,0,0]=4 1717 B5R0.3 C=C(CC)CO MCULE-8127766352 [1,1,0,0,0,0|2,0,0]=4 1718 B5R0.3 C=C(CN)CN MCULE-5063132725 [1,1,0,0,0,0|2,0,0]=4 1719 B5R0.3 C=C(CO)CBr MCULE-9563589949 [1,1,0,0,0,0|2,0,0]=4 1720 B5R0.3 C=C(CO)CO MCULE-2682601949 [1,1,0,0,0,0|1,0,0]=3 1721 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,1,0,0,0,0|2,0,0]=4 1722 B5R0.3 C=CC(=O)NN MCULE-4327484127 [1,1,0,0,0,0|2,0,0]=4 1723 B5R0.3 C=CC(=O)NN MCULE-4961696321 [1,1,0,0,0,0|2,0,0]=4 1724 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,1,0,0,0,0|1,0,1]=4 1725 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,1,0,0,0,0|1,0,1]=4 1726 B5R0.3 C=CC(O)CN MCULE-3472823475 [1,1,0,0,0,0|1,0,1]=4 1727 B5R0.3 C=CC(O)CO MCULE-6172654550 [1,1,0,0,0,0|1,0,1]=4 1728 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [1,1,0,0,0,0|1,0,1]=4 1729 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [1,1,0,0,0,0|1,0,1]=4 1730 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [1,1,0,0,0,0|1,0,1]=4 1731 B5R0.3 CC(=CI)CO MCULE-8491569199 [1,1,0,0,0,0|2,0,0]=4 1732 B5R0.3 CC(=CN)C=O MCULE-5507488903 [1,1,0,0,0,0|1,0,1]=4 1733 B5R0.3 CC(=NO)CS MCULE-9694340512 [1,1,0,0,0,0|1,1,0]=4 1734 B5R0.3 CC(CN)CO MCULE-5880795484 [1,1,0,0,0,0|1,0,1]=4 1735 B5R0.3 CC(CN)CO MCULE-8083007887 [1,1,0,0,0,0|1,0,1]=4 1736 B5R0.3 CC(CO)CO MCULE-2340730326 [1,1,0,0,0,0|1,0,1]=4 1737 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [1,1,0,0,0,0|2,0,0]=4 1738 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [1,1,0,0,0,0|2,0,0]=4 1739 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [1,1,0,0,0,0|2,0,0]=4 1740 B5R0.3 CCC(=N)OC MCULE-4123543795 [1,1,0,0,0,0|2,0,0]=4 1741 B5R0.3 CCC(=N)OC MCULE-5346320805 [1,1,0,0,0,0|2,0,0]=4 1742 B5R0.3 CCC(=NO)C MCULE-1859652505 [1,1,0,0,0,0|2,0,0]=4 1743 B5R0.3 CCC(=O)CBr MCULE-7825573294 [1,1,0,0,0,0|2,0,0]=4 1744 B5R0.3 CCC(=O)CC MCULE-8236549739 [1,1,0,0,0,0|2,0,0]=4 1745 B5R0.3 CCC(=O)CCl MCULE-9019890380 [1,1,0,0,0,0|2,0,0]=4 1746 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,1,0,0,0,0|1,0,0]=3 1747 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,1,0,0,0,0|1,0,0]=3 1748 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,1,0,0,0,0|1,0,0]=3 1749 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,1,0,0,0,0|2,0,0]=4 1750 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,1,0,0,0,0|2,0,0]=4 1751 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,1,0,0,0,0|1,0,0]=3 1752 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,1,0,0,0,0|1,0,0]=3 1753 B5R0.3 CCC(=O)SC MCULE-9712192191 [1,1,0,0,0,0|1,1,0]=4 1754 B5R0.3 CCC(O)CN MCULE-5197026448 [1,1,0,0,0,0|1,0,1]=4 1755 B5R0.3 CCC(O)CO MCULE-2488753438 [1,1,0,0,0,0|1,0,1]=4 1756 B5R0.3 CCC(O)CO MCULE-7297282094 [1,1,0,0,0,0|1,0,1]=4 1757 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [1,1,0,0,0,0|1,0,1]=4 1758 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [1,1,0,0,0,0|1,0,1]=4 1759 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [1,1,0,0,0,0|1,0,1]=4 1760 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [1,1,0,0,0,0|1,0,1]=4 1761 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [1,1,0,0,0,0|1,0,1]=4 1762 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [1,1,0,0,0,0|1,0,1]=4 1763 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [1,1,0,0,0,0|1,0,1]=4 1764 B5R0.3 CNC(=N)CO MCULE-3239749882 [1,1,0,0,0,0|2,0,0]=4 1765 B5R0.3 CNC(=O)CBr MCULE-1439209307 [1,1,0,0,0,0|2,0,0]=4 1766 B5R0.3 CNC(=O)CCl MCULE-1437904095 [1,1,0,0,0,0|2,0,0]=4 1767 B5R0.3 CNC(=O)CI MCULE-1687694185 [1,1,0,0,0,0|2,0,0]=4 1768 B5R0.3 CNC(=O)CN MCULE-1901033297 [1,1,0,0,0,0|1,0,0]=3 1769 B5R0.3 CNC(=O)CN MCULE-8532774234 [1,1,0,0,0,0|1,0,0]=3 1770 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,1,0,0,0,0|1,0,0]=3 1771 B5R0.3 CNC(=O)CS MCULE-7032391129 [1,1,0,0,0,0|1,1,0]=4 1772 B5R0.3 CNC(=O)NN MCULE-2093843774 [1,1,0,0,0,0|2,0,0]=4 1773 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,1,0,0,0,0|2,0,0]=4 1774 B5R0.3 COC(=N)CCl MCULE-2713131753 [1,1,0,0,0,0|2,0,0]=4 1775 B5R0.3 COC(=N)CCl MCULE-6471252676 [1,1,0,0,0,0|2,0,0]=4 1776 B5R0.3 COC(=O)C#N MCULE-8762838190 [1,1,0,0,0,0|0,0,2]=4 1777 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,1,0,0,0,0|0,0,2]=4 1778 B5R0.3 COC(=O)CBr MCULE-2684954408 [1,1,0,0,0,0|1,0,0]=3 1779 B5R0.3 COC(=O)CCl MCULE-5886832940 [1,1,0,0,0,0|1,0,0]=3 1780 B5R0.3 COC(=O)CF MCULE-4367430175 [1,1,0,0,0,0|1,0,0]=3 1781 B5R0.3 COC(=O)CI MCULE-9545584156 [1,1,0,0,0,0|1,0,0]=3 1782 B5R0.3 COC(=O)CN MCULE-7462799100 [1,1,0,0,0,0|0,0,0]=2 1783 B5R0.3 COC(=O)CN MCULE-8887061469 [1,1,0,0,0,0|0,0,0]=2 1784 B5R0.3 COC(=O)CO MCULE-8734582763 [1,1,0,0,0,0|0,0,0]=2 1785 B5R0.3 COC(=O)CS MCULE-3020830180 [1,1,0,0,0,0|0,1,0]=3 1786 B5R0.3 COC(=O)NN MCULE-2637794839 [1,1,0,0,0,0|1,0,0]=3 1787 B5R0.3 COC(=O)OC MCULE-7488725621 [1,1,0,0,0,0|1,0,0]=3 1788 B5R0.3 COC(=O)SCl MCULE-1018411491 [1,1,0,0,0,0|1,1,0]=4 1789 B5R0.3 COC(=S)NN MCULE-8717505617 [1,1,0,0,0,0|1,1,0]=4 1790 B5R0.3 COC(C)CN MCULE-1378513525 [1,1,0,0,0,0|1,0,1]=4 1791 B5R0.3 COC(C)CN MCULE-6114730248 [1,1,0,0,0,0|1,0,1]=4 1792 B5R0.3 COC(C)CN MCULE-7516064224 [1,1,0,0,0,0|1,0,1]=4 1793 B5R0.3 COC(C)CN MCULE-8277408054 [1,1,0,0,0,0|1,0,1]=4 1794 B5R0.3 COC(C)CO MCULE-5269990702 [1,1,0,0,0,0|1,0,1]=4 1795 B5R0.3 COC(C)CO MCULE-7173093332 [1,1,0,0,0,0|1,0,1]=4 1796 B5R0.3 COS(=O)OC MCULE-9352053920 [1,1,0,0,0,0|2,0,0]=4 1797 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [1,1,0,0,0,0|1,0,1]=4 1798 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [1,1,0,0,0,0|1,0,1]=4 1799 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [1,1,0,0,0,0|1,0,1]=4 1800 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [1,1,0,0,0,0|1,0,1]=4 1801 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [1,1,0,0,0,0|1,0,1]=4 1802 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [1,1,0,0,0,0|1,0,1]=4 1803 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [1,1,0,0,0,0|1,0,1]=4 1804 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [1,1,0,0,0,0|1,0,1]=4 1805 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [1,1,0,0,0,0|1,0,1]=4 1806 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [1,1,0,0,0,0|1,0,1]=4 1807 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [1,1,0,0,0,0|1,0,1]=4 1808 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [1,1,0,0,0,0|1,0,1]=4 1809 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [1,1,0,0,0,0|1,0,1]=4 1810 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [1,1,0,0,0,0|1,0,1]=4 1811 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [1,1,0,0,0,0|2,0,0]=4 1812 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [1,1,0,0,0,0|1,0,0]=3 1813 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [1,1,0,0,0,0|2,0,0]=4 1814 B5R0.3 N=C(NN)NO MCULE-6419110297 [1,1,0,0,0,0|2,0,0]=4 1815 B5R0.3 NC(CO)CO MCULE-1559988016 [1,1,0,0,0,0|1,0,1]=4 1816 B5R0.3 NC(CO)CO MCULE-4954119952 [1,1,0,0,0,0|1,0,1]=4 1817 B5R0.3 NCC(=O)CN MCULE-2420991481 [1,1,0,0,0,0|1,0,0]=3 1818 B5R0.3 NCC(=O)CN MCULE-8626789745 [1,1,0,0,0,0|1,0,0]=3 1819 B5R0.3 NCC(=O)NN MCULE-2318099199 [1,1,0,0,0,0|1,0,0]=3 1820 B5R0.3 NCC(=O)NN MCULE-3392354502 [1,1,0,0,0,0|1,0,0]=3 1821 B5R0.3 NCC(=O)NO MCULE-5417617455 [1,1,0,0,0,0|0,0,0]=2 1822 B5R0.3 NCC(F)CO MCULE-6156319956 [1,1,0,0,0,0|1,0,1]=4 1823 B5R0.3 NCC(F)CO MCULE-7472307328 [1,1,0,0,0,0|1,0,1]=4 1824 B5R0.3 NCC(O)CCl MCULE-1566349721 [1,1,0,0,0,0|1,0,1]=4 1825 B5R0.3 NCC(O)CCl MCULE-3532626994 [1,1,0,0,0,0|1,0,1]=4 1826 B5R0.3 NCC(O)CCl MCULE-5045913208 [1,1,0,0,0,0|1,0,1]=4 1827 B5R0.3 NCC(O)CCl MCULE-7168455596 [1,1,0,0,0,0|1,0,1]=4 1828 B5R0.3 NCC(O)CF MCULE-7529777116 [1,1,0,0,0,0|1,0,1]=4 1829 B5R0.3 NCC(O)CF MCULE-8092861019 [1,1,0,0,0,0|1,0,1]=4 1830 B5R0.3 NCC(O)CN MCULE-4689186078 [1,1,0,0,0,0|1,0,1]=4 1831 B5R0.3 NCC(O)CO MCULE-2689763818 [1,1,0,0,0,0|0,0,2]=4 1832 B5R0.3 NCC(O)CO MCULE-6096620010 [1,1,0,0,0,0|0,0,2]=4 1833 B5R0.3 NCC(O)CO MCULE-7307777212 [1,1,0,0,0,0|0,0,2]=4 1834 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [1,1,0,0,0,0|1,0,1]=4 1835 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [1,1,0,0,0,0|1,0,1]=4 1836 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [1,1,0,0,0,0|1,0,1]=4 1837 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [1,1,0,0,0,0|1,0,1]=4 1838 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [1,1,0,0,0,0|1,0,1]=4 1839 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [1,1,0,0,0,0|1,0,1]=4 1840 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [1,1,0,0,0,0|1,0,1]=4 1841 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [1,1,0,0,0,0|1,0,1]=4 1842 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [1,1,0,0,0,0|0,0,2]=4 1843 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [1,1,0,0,0,0|0,0,2]=4 1844 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [1,1,0,0,0,0|0,0,2]=4 1845 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [1,1,0,0,0,0|1,0,1]=4 1846 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [1,1,0,0,0,0|1,0,1]=4 1847 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [1,1,0,0,0,0|1,0,1]=4 1848 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [1,1,0,0,0,0|1,0,1]=4 1849 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [1,1,0,0,0,0|1,0,1]=4 1850 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [1,1,0,0,0,0|1,0,1]=4 1851 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [1,1,0,0,0,0|1,0,1]=4 1852 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [1,1,0,0,0,0|1,0,1]=4 1853 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [1,1,0,0,0,0|1,0,1]=4 1854 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [1,1,0,0,0,0|0,0,2]=4 1855 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [1,1,0,0,0,0|0,0,2]=4 1856 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [1,1,0,0,0,0|0,0,2]=4 1857 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [1,1,0,0,0,0|0,0,2]=4 1858 B5R0.3 NNC(=O)CCl MCULE-2158347473 [1,1,0,0,0,0|2,0,0]=4 1859 B5R0.3 NNC(=O)CCl MCULE-9762553206 [1,1,0,0,0,0|2,0,0]=4 1860 B5R0.3 NNC(=O)CO MCULE-8443636349 [1,1,0,0,0,0|1,0,0]=3 1861 B5R0.3 NNC(=O)CS MCULE-4913925166 [1,1,0,0,0,0|1,1,0]=4 1862 B5R0.3 NNC(=O)NN MCULE-8522412568 [1,1,0,0,0,0|2,0,0]=4 1863 B5R0.3 NNC(=O)NO MCULE-7106168898 [1,1,0,0,0,0|1,0,0]=3 1864 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [1,1,0,0,0,0|2,0,0]=4 1865 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [1,1,0,0,0,0|2,0,0]=4 1866 B5R0.3 O=C(CF)CF MCULE-8790300272 [1,1,0,0,0,0|2,0,0]=4 1867 B5R0.3 O=C(CO)CO MCULE-7188810449 [1,1,0,0,0,0|0,0,0]=2 1868 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [1,1,0,0,0,0|1,0,1]=4 1869 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,1,0,0,0,0|0,0,1]=3 1870 B5R0.3 O=CC(O)CO MCULE-9581740191 [1,1,0,0,0,0|0,0,1]=3 1871 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [1,1,0,0,0,0|0,0,1]=3 1872 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [1,1,0,0,0,0|0,0,1]=3 1873 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [1,1,0,0,0,0|0,0,1]=3 1874 B5R0.3 OCC(Br)CO MCULE-9272628834 [1,1,0,0,0,0|1,0,1]=4 1875 B5R0.3 OCC(Cl)CO MCULE-7487945326 [1,1,0,0,0,0|1,0,1]=4 1876 B5R0.3 OCC(F)CO MCULE-2970537690 [1,1,0,0,0,0|1,0,1]=4 1877 B5R0.3 OCC(O)CBr MCULE-9116190245 [1,1,0,0,0,0|1,0,1]=4 1878 B5R0.3 OCC(O)CCl MCULE-7895191088 [1,1,0,0,0,0|1,0,1]=4 1879 B5R0.3 OCC(O)CCl MCULE-8992242488 [1,1,0,0,0,0|1,0,1]=4 1880 B5R0.3 OCC(O)CF MCULE-3575952891 [1,1,0,0,0,0|1,0,1]=4 1881 B5R0.3 OCC(O)CF MCULE-8981430411 [1,1,0,0,0,0|1,0,1]=4 1882 B5R0.3 OCC(O)CI MCULE-6705992930 [1,1,0,0,0,0|1,0,1]=4 1883 B5R0.3 OCC(O)CO MCULE-6349111826 [1,1,0,0,0,0|0,0,2]=4 1884 B5R0.3 OCC(O)CS MCULE-6300188207 [1,1,0,0,0,0|0,1,1]=4 1885 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [1,1,0,0,0,0|1,0,1]=4 1886 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [1,1,0,0,0,0|1,0,1]=4 1887 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [1,1,0,0,0,0|1,0,1]=4 1888 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [1,1,0,0,0,0|1,0,1]=4 1889 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [1,1,0,0,0,0|1,0,1]=4 1890 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [1,1,0,0,0,0|1,0,1]=4 1891 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [1,1,0,0,0,0|1,0,1]=4 1892 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [1,1,0,0,0,0|1,0,1]=4 1893 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [1,1,0,0,0,0|1,0,1]=4 1894 B5R0.3 P(=O)(OC)OC MCULE-7918891029 [1,1,0,0,0,0|2,0,0]=4 1895 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [1,1,0,0,0,0|1,0,1]=4 1896 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [1,1,0,0,0,0|1,0,1]=4 1897 B5R0.4 CC(C)(O)CN MCULE-5270413077 [1,1,0,0,0,0|1,0,1]=4 1898 B5R0.4 CC(C)(O)CN MCULE-7438555366 [1,1,0,0,0,0|1,0,1]=4 1899 B5R0.4 CC(C)(O)CO MCULE-6797456030 [1,1,0,0,0,0|1,0,1]=4 1900 B5R0.4 CCP(=O)(O)O MCULE-5185791919 [1,1,0,0,0,0|2,0,0]=4 1901 B5R0.4 CCS(=O)(=O)O MCULE-4408374633 [1,1,0,0,0,0|2,0,0]=4 1902 B5R0.4 CCS(=O)(=S)O MCULE-3229359913 [1,1,0,0,0,0|2,0,0]=4 1903 B5R0.4 COP(=O)(O)O MCULE-8832075019 [1,1,0,0,0,0|2,0,0]=4 1904 B5R0.4 COS(=O)(=O)O MCULE-7245694496 [1,1,0,0,0,0|2,0,0]=4 1905 B5R0.4 CS(=O)(=O)ON MCULE-7541219823 [1,1,0,0,0,0|1,0,1]=4 1906 B5R0.4 NCP(=O)(O)O MCULE-5036947233 [1,1,0,0,0,0|1,0,0]=3 1907 B5R0.4 NCS(=O)(=O)O MCULE-2178285528 [1,1,0,0,0,0|1,0,0]=3 1908 B5R0.4 NOS(=O)(=O)O MCULE-4655259886 [1,1,0,0,0,0|1,0,0]=3 1909 B5R0.4 O=P(O)(O)CCl MCULE-3749129481 [1,1,0,0,0,0|2,0,0]=4 1910 B5R0.4 O=P(O)(O)CO MCULE-9997097349 [1,1,0,0,0,0|1,0,0]=3 1911 B5R0.4 O=S(=O)(O)CBr MCULE-7461723318 [1,1,0,0,0,0|2,0,0]=4 1912 B5R0.4 O=S(=O)(O)CCl MCULE-4274838804 [1,1,0,0,0,0|2,0,0]=4 1913 B5R0.4 O=S(=O)(O)CO MCULE-9647441782 [1,1,0,0,0,0|1,0,0]=3 1914 B5R0.4 O=S(=O)([O-])CO MCULE-5488503909 [1,1,0,0,0,0|1,0,1]=4 1915 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [1,1,0,0,0,0|1,0,1]=4 1916 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,1,0,0,0,0|1,0,1]=4 1917 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [1,1,0,0,0,0|2,0,0]=4 1918 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [1,1,0,0,0,0|1,0,1]=4 1919 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [1,1,0,0,0,0|1,0,1]=4 1920 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [1,1,0,0,0,0|1,0,1]=4 1921 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,1,0,0,0,0|0,0,2]=4 1922 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [1,1,0,0,0,0|1,0,1]=4 1923 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,1,0,0,0,0|2,0,0]=4 1924 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,1,0,0,0,0|2,0,0]=4 1925 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,1,0,0,0,0|2,0,0]=4 1926 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,1,0,0,0,0|2,0,0]=4 1927 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,1,0,0,0,0|1,0,0]=3 1928 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,1,0,0,0,0|1,0,0]=3 1929 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,1,0,0,0,0|1,0,0]=3 1930 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,1,0,0,0,0|1,1,0]=4 1931 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [1,1,0,0,0,0|2,0,0]=4 1932 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [1,1,0,0,0,0|2,0,0]=4 1933 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [1,1,0,0,0,0|2,0,0]=4 1934 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,1,0,0,0,0|1,0,0]=3 1935 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,1,0,0,0,0|1,0,0]=3 1936 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,1,0,0,0,0|1,0,0]=3 1937 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,1,0,0,0,0|1,0,0]=3 1938 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,1,0,0,0,0|2,0,0]=4 1939 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,1,0,0,0,0|2,0,0]=4 1940 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,1,0,0,0,0|2,0,0]=4 1941 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,1,0,0,0,0|1,0,0]=3 1942 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,1,0,0,0,0|1,0,0]=3 1943 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,1,0,0,0,0|2,0,0]=4 1944 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,1,0,0,0,0|2,0,0]=4 1945 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,1,0,0,0,0|2,0,0]=4 1946 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,1,0,0,0,0|1,0,0]=3 1947 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,1,0,0,0,0|1,1,0]=4 1948 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [1,1,0,0,0,0|2,0,0]=4 1949 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,1,0,0,0,0|2,0,0]=4 1950 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,1,0,0,0,0|2,0,0]=4 1951 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,1,0,0,0,0|1,0,0]=3 1952 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,1,0,0,0,0|1,0,0]=3 1953 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,1,0,0,0,0|1,0,0]=3 1954 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,1,0,0,0,0|2,0,0]=4 1955 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,1,0,0,0,0|1,0,0]=3 1956 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,1,0,0,0,0|1,0,0]=3 1957 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,1,0,0,0,0|1,0,0]=3 1958 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,1,0,0,0,0|1,0,0]=3 1959 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,1,0,0,0,0|1,0,0]=3 1960 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,1,0,0,0,0|1,0,0]=3 1961 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,1,0,0,0,0|0,0,0]=2 1962 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,1,0,0,0,0|0,0,0]=2 1963 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,1,0,0,0,0|0,0,0]=2 1964 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,1,0,0,0,0|0,0,0]=2 1965 B5R0.5 CC(N)C(C)O MCULE-3512899672 [1,1,0,0,0,0|1,0,1]=4 1966 B5R0.5 CC(N)C(C)O MCULE-6286987696 [1,1,0,0,0,0|1,0,1]=4 1967 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [1,1,0,0,0,0|2,0,0]=4 1968 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [1,1,0,0,0,0|2,0,0]=4 1969 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,1,0,0,0,0|1,0,0]=3 1970 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,1,0,0,0,0|1,0,0]=3 1971 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,1,0,0,0,0|0,0,0]=2 1972 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,1,0,0,0,0|0,0,0]=2 1973 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,1,0,0,0,0|0,0,1]=3 1974 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,1,0,0,0,0|0,0,1]=3 1975 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,1,0,0,0,0|0,0,1]=3 1976 B5R0.5 CC(O)C(C)O MCULE-2858785316 [1,1,0,0,0,0|1,0,1]=4 1977 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,1,0,0,0,0|1,1,0]=4 1978 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,1,0,0,0,0|0,1,0]=3 1979 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,1,0,0,0,0|2,0,0]=4 1980 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,1,0,0,0,0|2,0,0]=4 1981 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,1,0,0,0,0|1,0,0]=3 1982 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,1,0,0,0,0|1,0,0]=3 1983 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,1,0,0,0,0|2,0,0]=4 1984 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,1,0,0,0,0|1,0,0]=3 1985 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,1,0,0,0,0|1,0,0]=3 1986 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,1,0,0,0,0|2,0,0]=4 1987 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,1,0,0,0,0|1,0,0]=3 1988 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,1,0,0,0,0|1,0,0]=3 1989 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,1,0,0,0,0|1,0,0]=3 1990 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,1,0,0,0,0|1,0,0]=3 1991 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,1,0,0,0,0|0,0,0]=2 1992 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,1,0,0,0,0|0,0,0]=2 1993 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [1,1,0,0,0,0|1,0,1]=4 1994 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [1,1,0,0,0,0|1,0,1]=4 1995 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [1,1,0,0,0,0|1,0,1]=4 1996 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [1,1,0,0,0,0|1,0,1]=4 1997 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [1,1,0,0,0,0|1,0,1]=4 1998 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [1,1,0,0,0,0|2,0,0]=4 1999 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [1,1,0,0,0,0|2,0,0]=4 2000 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [1,1,0,0,0,0|2,0,0]=4 2001 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [1,1,0,0,0,0|2,0,0]=4 2002 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,1,0,0,0,0|1,0,0]=3 2003 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,1,0,0,0,0|1,0,0]=3 2004 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,1,0,0,0,0|0,0,0]=2 2005 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,1,0,0,0,0|0,0,0]=2 2006 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,1,0,0,0,0|0,0,1]=3 2007 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,1,0,0,0,0|0,0,1]=3 2008 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,1,0,0,0,0|0,0,1]=3 2009 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [1,1,0,0,0,0|1,0,1]=4 2010 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [1,1,0,0,0,0|1,0,1]=4 2011 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [1,1,0,0,0,0|1,0,1]=4 2012 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,1,0,0,0,0|2,0,0]=4 2013 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,1,0,0,0,0|1,0,0]=3 2014 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,1,0,0,0,0|1,0,0]=3 2015 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,1,0,0,0,0|1,0,0]=3 2016 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,1,0,0,0,0|1,0,0]=3 2017 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,1,0,0,0,0|2,0,0]=4 2018 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,1,0,0,0,0|1,0,0]=3 2019 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,1,0,0,0,0|1,0,0]=3 2020 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,1,0,0,0,0|1,0,0]=3 2021 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,1,0,0,0,0|1,0,0]=3 2022 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,1,0,0,0,0|1,0,0]=3 2023 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,1,0,0,0,0|1,0,0]=3 2024 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,1,0,0,0,0|1,0,0]=3 2025 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,1,0,0,0,0|1,0,0]=3 2026 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,1,0,0,0,0|0,0,0]=2 2027 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,1,0,0,0,0|0,0,0]=2 2028 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,1,0,0,0,0|0,0,0]=2 2029 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,1,0,0,0,0|0,0,0]=2 2030 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [1,1,0,0,0,0|1,0,1]=4 2031 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [1,1,0,0,0,0|1,0,1]=4 2032 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [1,1,0,0,0,0|1,0,1]=4 2033 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [1,1,0,0,0,0|1,0,1]=4 2034 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [1,1,0,0,0,0|1,0,1]=4 2035 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [1,1,0,0,0,0|1,0,1]=4 2036 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,1,0,0,0,0|1,0,0]=3 2037 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,1,0,0,0,0|0,0,0]=2 2038 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,1,0,0,0,0|0,0,0]=2 2039 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,1,0,0,0,0|0,0,1]=3 2040 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,1,0,0,0,0|0,0,1]=3 2041 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,1,0,0,0,0|0,0,1]=3 2042 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,1,0,0,0,0|0,0,1]=3 2043 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,1,0,0,0,0|0,0,1]=3 2044 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [1,1,0,0,0,0|1,0,1]=4 2045 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [1,1,0,0,0,0|1,0,1]=4 2046 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [1,1,0,0,0,0|1,0,1]=4 2047 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [1,1,0,0,0,0|1,0,1]=4 2048 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [1,1,0,0,0,0|1,0,1]=4 2049 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [1,1,0,0,0,0|1,0,1]=4 2050 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [1,1,0,0,0,0|1,0,1]=4 2051 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [1,1,0,0,0,0|1,0,1]=4 2052 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [1,1,0,0,0,0|1,0,1]=4 2053 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [1,1,0,0,0,0|0,0,1]=3 2054 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [1,1,0,0,0,0|0,0,2]=4 2055 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [1,1,0,0,0,0|0,0,2]=4 2056 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [1,1,0,0,0,0|2,0,0]=4 2057 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [1,1,0,0,0,0|2,0,0]=4 2058 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [1,1,0,0,0,0|2,0,0]=4 2059 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [1,1,0,0,0,0|2,0,0]=4 2060 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [1,1,0,0,0,0|2,0,0]=4 2061 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [1,1,0,0,0,0|2,0,0]=4 2062 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,1,0,0,0,0|0,0,0]=2 2063 B5R0.5 O=C(Cl)C(Cl)Cl MCULE-2883143305 [1,1,0,0,0,0|2,0,0]=4 2064 B5R0.5 O=C(Cl)C(F)Cl MCULE-1579940277 [1,1,0,0,0,0|2,0,0]=4 2065 B5R0.5 O=C(Cl)C(F)F MCULE-6700400389 [1,1,0,0,0,0|2,0,0]=4 2066 B5R0.5 O=C(F)C(F)F MCULE-6722746663 [1,1,0,0,0,0|2,0,0]=4 2067 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [1,1,0,0,0,0|0,0,1]=3 2068 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [1,1,0,0,0,0|0,0,1]=3 2069 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [1,1,0,0,0,0|0,0,1]=3 2070 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [1,1,0,0,0,0|0,0,1]=3 2071 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [1,1,0,0,0,0|0,0,1]=3 2072 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [1,1,0,0,0,0|0,0,1]=3 2073 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [1,1,0,0,0,0|0,0,1]=3 2074 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [1,1,0,0,0,0|0,0,1]=3 2075 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [1,1,0,0,0,0|0,0,1]=3 2076 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [1,1,0,0,0,0|0,0,1]=3 2077 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [1,1,0,0,0,0|0,0,1]=3 2078 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [1,1,0,0,0,0|1,0,0]=3 2079 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [1,1,0,0,0,0|1,0,0]=3 2080 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [1,1,0,0,0,0|1,0,0]=3 2081 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [1,1,0,0,0,0|1,0,0]=3 2082 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [1,1,0,0,0,0|1,0,0]=3 2083 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [1,1,0,0,0,0|1,0,0]=3 2084 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [1,1,0,0,0,0|1,0,0]=3 2085 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,1,0,0,0,0|0,0,0]=2 2086 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [1,1,0,0,0,0|1,0,0]=3 2087 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [1,1,0,0,0,0|1,0,0]=3 2088 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [1,1,0,0,0,0|1,0,1]=4 2089 B5R0.5 O=C([O-])C(F)Cl MCULE-6121365584 [1,1,0,0,0,0|1,0,1]=4 2090 B5R0.5 O=C([O-])C(F)I MCULE-5263796115 [1,1,0,0,0,0|1,0,1]=4 2091 B5R0.5 O=S(O)C(F)F MCULE-6110273161 [1,1,0,0,0,0|2,0,0]=4 2092 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,1,0,0,0,0|1,0,0]=3 2093 B5R0.2 C#CCCC=O MCULE-9994552907 [1,1,0,0,0,0|2,0,0]=4 2094 B5R0.2 C=C=CCCN MCULE-5814175873 [1,1,0,0,0,0|2,0,0]=4 2095 B5R0.2 C=C=CCCN MCULE-8177198091 [1,1,0,0,0,0|2,0,0]=4 2096 B5R0.2 C=CCCC=O MCULE-7850336174 [1,1,0,0,0,0|2,0,0]=4 2097 B5R0.2 C=CCCCN MCULE-5787926547 [1,1,0,0,0,0|2,0,0]=4 2098 B5R0.2 C=CCCCN MCULE-7346989227 [1,1,0,0,0,0|2,0,0]=4 2099 B5R0.2 C=CCCNC MCULE-2124263362 [1,1,0,0,0,0|2,0,0]=4 2100 B5R0.2 C=CCCNC MCULE-5024925990 [1,1,0,0,0,0|2,0,0]=4 2101 B5R0.2 C=CCCOC MCULE-4681354270 [1,1,0,0,0,0|2,0,0]=4 2102 B5R0.2 C=CCCON MCULE-3476228435 [1,1,0,0,0,0|1,0,0]=3 2103 B5R0.2 C=CCCON MCULE-9206052895 [1,1,0,0,0,0|1,0,0]=3 2104 B5R0.2 C=CCNC=O MCULE-1911798514 [1,1,0,0,0,0|2,0,0]=4 2105 B5R0.2 C=CCOC=C MCULE-7085070702 [1,1,0,0,0,0|2,0,0]=4 2106 B5R0.2 C=CCOC=O MCULE-4161785970 [1,1,0,0,0,0|2,0,0]=4 2107 B5R0.2 C=CCOCC MCULE-4363356618 [1,1,0,0,0,0|2,0,0]=4 2108 B5R0.2 C=CCOCCl MCULE-6656252526 [1,1,0,0,0,0|2,0,0]=4 2109 B5R0.2 C=CCONC MCULE-4537899476 [1,1,0,0,0,0|1,0,0]=3 2110 B5R0.2 C=CCONC MCULE-9645204142 [1,1,0,0,0,0|1,0,0]=3 2111 B5R0.2 C=COCCN MCULE-8052872924 [1,1,0,0,0,0|2,0,0]=4 2112 B5R0.2 C=COCCN MCULE-8496820259 [1,1,0,0,0,0|2,0,0]=4 2113 B5R0.2 C=COCCO MCULE-9383372818 [1,1,0,0,0,0|1,0,1]=4 2114 B5R0.2 CC#CCC=O MCULE-6071390808 [1,1,0,0,0,0|2,0,0]=4 2115 B5R0.2 CC#CCON MCULE-6251915377 [1,1,0,0,0,0|1,0,1]=4 2116 B5R0.2 CC#CCON MCULE-7089104173 [1,1,0,0,0,0|1,0,1]=4 2117 B5R0.2 CC=CCCN MCULE-5129102475 [1,1,0,0,0,0|2,0,0]=4 2118 B5R0.2 CC=CCCN MCULE-8500001929 [1,1,0,0,0,0|2,0,0]=4 2119 B5R0.2 CCCC=NO MCULE-7364375780 [1,1,0,0,0,0|2,0,0]=4 2120 B5R0.2 CCCCC=O MCULE-4736782822 [1,1,0,0,0,0|2,0,0]=4 2121 B5R0.2 CCCCON MCULE-7582349983 [1,1,0,0,0,0|1,0,1]=4 2122 B5R0.2 CCCCON MCULE-8175627798 [1,1,0,0,0,0|1,0,1]=4 2123 B5R0.2 CCCNC=O MCULE-6344556391 [1,1,0,0,0,0|2,0,0]=4 2124 B5R0.2 CCCOC=O MCULE-3133604529 [1,1,0,0,0,0|2,0,0]=4 2125 B5R0.2 CCOCCO MCULE-4311513289 [1,1,0,0,0,0|1,0,1]=4 2126 B5R0.2 CCSCC=O MCULE-8069035019 [1,1,0,0,0,0|1,1,0]=4 2127 B5R0.2 CNCCCO MCULE-9530478547 [1,1,0,0,0,0|1,0,1]=4 2128 B5R0.2 CNOCCN MCULE-3163962093 [1,1,0,0,0,0|1,0,1]=4 2129 B5R0.2 CNOCCN MCULE-7379538500 [1,1,0,0,0,0|1,0,1]=4 2130 B5R0.2 COCCC=O MCULE-2812117208 [1,1,0,0,0,0|1,0,0]=3 2131 B5R0.2 COCCCN MCULE-1421362990 [1,1,0,0,0,0|1,0,1]=4 2132 B5R0.2 COCCCN MCULE-4783132205 [1,1,0,0,0,0|1,0,1]=4 2133 B5R0.2 COCCCO MCULE-4041418048 [1,1,0,0,0,0|1,0,1]=4 2134 B5R0.2 COCCNN MCULE-2086510453 [1,1,0,0,0,0|1,0,1]=4 2135 B5R0.2 COCCNN MCULE-4830987822 [1,1,0,0,0,0|1,0,1]=4 2136 B5R0.2 COCCNN MCULE-8361975855 [1,1,0,0,0,0|1,0,1]=4 2137 B5R0.2 COCCOC MCULE-7572196731 [1,1,0,0,0,0|1,0,1]=4 2138 B5R0.2 COCCON MCULE-3507489398 [1,1,0,0,0,0|0,0,1]=3 2139 B5R0.2 COCCON MCULE-8506879697 [1,1,0,0,0,0|0,0,1]=3 2140 B5R0.2 COCN=C=O MCULE-6951734265 [1,1,0,0,0,0|1,0,1]=4 2141 B5R0.2 CONCCN MCULE-3332727097 [1,1,0,0,0,0|2,0,0]=4 2142 B5R0.2 CONCCN MCULE-5066538639 [1,1,0,0,0,0|2,0,0]=4 2143 B5R0.2 CONCCO MCULE-9787830121 [1,1,0,0,0,0|1,0,1]=4 2144 B5R0.2 CSCCC=O MCULE-6273241704 [1,1,0,0,0,0|1,1,0]=4 2145 B5R0.2 CSCCON MCULE-9125601960 [1,1,0,0,0,0|0,1,1]=4 2146 B5R0.2 N#CCCC=O MCULE-9521735106 [1,1,0,0,0,0|1,0,1]=4 2147 B5R0.2 N#CCCON MCULE-4242787851 [1,1,0,0,0,0|1,0,1]=4 2148 B5R0.2 N#CCCON MCULE-9943219810 [1,1,0,0,0,0|1,0,1]=4 2149 B5R0.2 N#CCOC=O MCULE-4453241991 [1,1,0,0,0,0|1,0,1]=4 2150 B5R0.2 N#N=NCC=O MCULE-8370335984 [1,1,0,0,0,0|1,0,1]=4 2151 B5R0.2 NCC=CCO MCULE-4993379992 [1,1,0,0,0,0|1,0,1]=4 2152 B5R0.2 NCCCCO MCULE-7395674091 [1,1,0,0,0,0|1,0,1]=4 2153 B5R0.2 NCCCON MCULE-1071170242 [1,1,0,0,0,0|1,0,1]=4 2154 B5R0.2 NCCCON MCULE-7767315563 [1,1,0,0,0,0|1,0,1]=4 2155 B5R0.2 NNCCCO MCULE-5557482626 [1,1,0,0,0,0|1,0,1]=4 2156 B5R0.2 NNCCCO MCULE-7351853032 [1,1,0,0,0,0|1,0,1]=4 2157 B5R0.2 NNCCCO MCULE-7919314403 [1,1,0,0,0,0|1,0,1]=4 2158 B5R0.2 NOC/C=C/Cl MCULE-3781481075 [1,1,0,0,0,0|1,0,0]=3 2159 B5R0.2 NOC/C=C/Cl MCULE-8874475488 [1,1,0,0,0,0|1,0,0]=3 2160 B5R0.2 NOCC=CCl MCULE-5233830243 [1,1,0,0,0,0|1,0,0]=3 2161 B5R0.2 NOCC=CCl MCULE-7677577759 [1,1,0,0,0,0|1,0,0]=3 2162 B5R0.2 NOCCCO MCULE-1072312935 [1,1,0,0,0,0|0,0,1]=3 2163 B5R0.2 NOCCCO MCULE-3715520109 [1,1,0,0,0,0|0,0,1]=3 2164 B5R0.2 NOCCCS MCULE-2063976508 [1,1,0,0,0,0|0,1,1]=4 2165 B5R0.2 NOCCCS MCULE-3464018652 [1,1,0,0,0,0|0,1,1]=4 2166 B5R0.2 NOCCON MCULE-2027662613 [1,1,0,0,0,0|0,0,1]=3 2167 B5R0.2 NOCCON MCULE-3458073239 [1,1,0,0,0,0|0,0,1]=3 2168 B5R0.2 O=CCCC=O MCULE-3362810468 [1,1,0,0,0,0|2,0,0]=4 2169 B5R0.2 O=CCCC=O MCULE-3813951568 [1,1,0,0,0,0|2,0,0]=4 2170 B5R0.2 O=CCCCBr MCULE-7239613396 [1,1,0,0,0,0|2,0,0]=4 2171 B5R0.2 O=CCCCCl MCULE-3011225716 [1,1,0,0,0,0|2,0,0]=4 2172 B5R0.2 O=CCCCI MCULE-3153720790 [1,1,0,0,0,0|2,0,0]=4 2173 B5R0.2 O=CCCCO MCULE-8728420992 [1,1,0,0,0,0|2,0,0]=4 2174 B5R0.2 O=CNCCO MCULE-3688614090 [1,1,0,0,0,0|2,0,0]=4 2175 B5R0.2 O=COCCO MCULE-1922672843 [1,1,0,0,0,0|1,0,1]=4 2176 B5R0.2 OC=CCCBr MCULE-3964604828 [1,1,0,0,0,0|2,0,0]=4 2177 B5R0.2 OC=CCCBr MCULE-5728835735 [1,1,0,0,0,0|2,0,0]=4 2178 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,2,0,0,0,0|2,0,0]=4 2179 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,2,0,0,0,0|1,0,0]=3 2180 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,2,0,0,0,0|2,0,0]=4 2181 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,2,0,0,0,0|1,0,0]=3 2182 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,2,0,0,0,0|1,0,0]=3 2183 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,2,0,0,0,0|2,0,0]=4 2184 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,2,0,0,0,0|2,0,0]=4 2185 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,2,0,0,0,0|2,0,0]=4 2186 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,2,0,0,0,0|1,0,0]=3 2187 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,2,0,0,0,0|1,0,0]=3 2188 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,2,0,0,0,0|1,0,0]=3 2189 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,2,0,0,0,0|1,0,0]=3 2190 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,2,0,0,0,0|2,0,0]=4 2191 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,2,0,0,0,0|2,0,0]=4 2192 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,2,0,0,0,0|2,0,0]=4 2193 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,2,0,0,0,0|1,0,0]=3 2194 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,2,0,0,0,0|1,0,0]=3 2195 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,2,0,0,0,0|2,0,0]=4 2196 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,2,0,0,0,0|2,0,0]=4 2197 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,2,0,0,0,0|1,1,0]=4 2198 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,2,0,0,0,0|2,0,0]=4 2199 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,2,0,0,0,0|2,0,0]=4 2200 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,2,0,0,0,0|1,0,0]=3 2201 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,2,0,0,0,0|1,0,0]=3 2202 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,2,0,0,0,0|1,0,0]=3 2203 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,2,0,0,0,0|1,0,0]=3 2204 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,2,0,0,0,0|2,0,0]=4 2205 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,2,0,0,0,0|2,0,0]=4 2206 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,2,0,0,0,0|1,0,0]=3 2207 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,2,0,0,0,0|1,0,0]=3 2208 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,2,0,0,0,0|1,0,0]=3 2209 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,2,0,0,0,0|1,0,0]=3 2210 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,2,0,0,0,0|2,0,0]=4 2211 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,2,0,0,0,0|1,0,1]=4 2212 B7R0.2 CNC(=O)CC(=N)N MCULE-4798896062 [0,2,0,0,0,0|2,0,0]=4 2213 B7R0.2 CNC(=O)CC(=N)N MCULE-6994336455 [0,2,0,0,0,0|2,0,0]=4 2214 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,2,0,0,0,0|2,0,0]=4 2215 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,2,0,0,0,0|1,0,0]=3 2216 B7R0.2 CNC(=O)CC(=S)N MCULE-1637389152 [0,2,0,0,0,0|2,0,0]=4 2217 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [0,2,0,0,0,0|2,0,0]=4 2218 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [0,2,0,0,0,0|2,0,0]=4 2219 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,2,0,0,0,0|2,0,0]=4 2220 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,2,0,0,0,0|2,0,0]=4 2221 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,2,0,0,0,0|1,0,0]=3 2222 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,2,0,0,0,0|1,0,0]=3 2223 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,2,0,0,0,0|1,0,1]=4 2224 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,2,0,0,0,0|1,0,1]=4 2225 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,2,0,0,0,0|1,0,1]=4 2226 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,2,0,0,0,0|1,0,1]=4 2227 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,2,0,0,0,0|1,0,1]=4 2228 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,2,0,0,0,0|1,0,0]=3 2229 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,2,0,0,0,0|1,0,0]=3 2230 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,2,0,0,0,0|2,0,0]=4 2231 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,2,0,0,0,0|2,0,0]=4 2232 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,2,0,0,0,0|1,0,0]=3 2233 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,2,0,0,0,0|1,0,0]=3 2234 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,2,0,0,0,0|1,0,1]=4 2235 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [0,2,0,0,0,0|1,0,0]=3 2236 B7R0.2 COC(=O)CC(C)Br MCULE-4193147778 [0,2,0,0,0,0|2,0,0]=4 2237 B7R0.2 COC(=O)CC(C)C MCULE-2808202854 [0,2,0,0,0,0|2,0,0]=4 2238 B7R0.2 COC(=O)CC(C)Cl MCULE-2734734940 [0,2,0,0,0,0|2,0,0]=4 2239 B7R0.2 COC(=O)CC(C)N MCULE-2402304310 [0,2,0,0,0,0|1,0,0]=3 2240 B7R0.2 COC(=O)CC(C)N MCULE-3520358398 [0,2,0,0,0,0|1,0,0]=3 2241 B7R0.2 COC(=O)CC(C)N MCULE-4044567169 [0,2,0,0,0,0|1,0,0]=3 2242 B7R0.2 COC(=O)CC(C)N MCULE-5962991844 [0,2,0,0,0,0|1,0,0]=3 2243 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [0,2,0,0,0,0|2,0,0]=4 2244 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [0,2,0,0,0,0|2,0,0]=4 2245 B7R0.2 COC(=O)CC(C)S MCULE-8423856471 [0,2,0,0,0,0|2,0,0]=4 2246 B7R0.2 COC(=O)CN(=O)=O MCULE-9778666398 [0,2,0,0,0,0|2,0,0]=4 2247 B7R0.2 COC(=O)CN(C)C MCULE-2035644817 [0,2,0,0,0,0|2,0,0]=4 2248 B7R0.2 COC(=O)CN(C)C MCULE-2356820620 [0,2,0,0,0,0|2,0,0]=4 2249 B7R0.2 COC(=O)CS(=O)C MCULE-6286293391 [0,2,0,0,0,0|1,1,0]=4 2250 B7R0.2 COC(=O)C[C@@H](C)N MCULE-1483636974 [0,2,0,0,0,0|1,0,0]=3 2251 B7R0.2 COC(=O)C[C@@H](C)N MCULE-4260923997 [0,2,0,0,0,0|1,0,0]=3 2252 B7R0.2 COC(=O)C[C@@H](C)N MCULE-6569883717 [0,2,0,0,0,0|1,0,0]=3 2253 B7R0.2 COC(=O)C[C@@H](C)N MCULE-9853158708 [0,2,0,0,0,0|1,0,0]=3 2254 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [0,2,0,0,0,0|2,0,0]=4 2255 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [0,2,0,0,0,0|2,0,0]=4 2256 B7R0.2 COC(=O)C[C@H](C)N MCULE-1385999778 [0,2,0,0,0,0|1,0,0]=3 2257 B7R0.2 COC(=O)C[C@H](C)N MCULE-1446150641 [0,2,0,0,0,0|1,0,0]=3 2258 B7R0.2 COC(=O)C[C@H](C)N MCULE-2979603570 [0,2,0,0,0,0|1,0,0]=3 2259 B7R0.2 COC(=O)C[C@H](C)N MCULE-7679126750 [0,2,0,0,0,0|1,0,0]=3 2260 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [0,2,0,0,0,0|2,0,0]=4 2261 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [0,2,0,0,0,0|2,0,0]=4 2262 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,2,0,0,0,0|1,0,0]=3 2263 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,2,0,0,0,0|1,1,0]=4 2264 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,2,0,0,0,0|1,0,0]=3 2265 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,2,0,0,0,0|1,0,0]=3 2266 B7R0.2 N#CC(N)CC(=O)N MCULE-6918234601 [0,2,0,0,0,0|2,0,0]=4 2267 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,2,0,0,0,0|1,0,0]=3 2268 B7R0.2 N=C(N)NC(=O)CO MCULE-1435627041 [0,2,0,0,0,0|2,0,0]=4 2269 B7R0.2 NC(=O)C/C(=N\O)/N MCULE-7090967368 [0,2,0,0,0,0|2,0,0]=4 2270 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,2,0,0,0,0|1,0,0]=3 2271 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,2,0,0,0,0|1,0,0]=3 2272 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,2,0,0,0,0|1,0,0]=3 2273 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,2,0,0,0,0|1,0,0]=3 2274 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,2,0,0,0,0|1,0,0]=3 2275 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,2,0,0,0,0|1,0,0]=3 2276 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,2,0,0,0,0|2,0,0]=4 2277 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,2,0,0,0,0|2,0,0]=4 2278 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,2,0,0,0,0|1,0,0]=3 2279 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,2,0,0,0,0|1,0,0]=3 2280 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,2,0,0,0,0|1,0,0]=3 2281 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,2,0,0,0,0|1,0,0]=3 2282 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,2,0,0,0,0|1,0,0]=3 2283 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,2,0,0,0,0|1,0,0]=3 2284 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,2,0,0,0,0|1,0,0]=3 2285 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,2,0,0,0,0|1,0,0]=3 2286 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,2,0,0,0,0|1,0,0]=3 2287 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,2,0,0,0,0|1,0,0]=3 2288 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,2,0,0,0,0|1,0,0]=3 2289 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,2,0,0,0,0|1,0,0]=3 2290 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,2,0,0,0,0|2,0,0]=4 2291 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,2,0,0,0,0|2,0,0]=4 2292 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,2,0,0,0,0|2,0,0]=4 2293 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,2,0,0,0,0|2,0,0]=4 2294 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,2,0,0,0,0|2,0,0]=4 2295 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,2,0,0,0,0|2,0,0]=4 2296 B7R0.3 C#CCCC(=O)OC MCULE-8778440511 [0,2,0,0,0,0|2,0,0]=4 2297 B7R0.3 C#CCNC(=O)OC MCULE-3058580094 [0,2,0,0,0,0|2,0,0]=4 2298 B7R0.3 C#CCOC(=O)OC MCULE-7912235498 [0,2,0,0,0,0|2,0,0]=4 2299 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [0,2,0,0,0,0|2,0,0]=4 2300 B7R0.3 C=CC(=O)NCCN MCULE-5552021639 [0,2,0,0,0,0|2,0,0]=4 2301 B7R0.3 C=CC(=O)NCCN MCULE-6417335153 [0,2,0,0,0,0|2,0,0]=4 2302 B7R0.3 C=CC(=O)OCCN MCULE-9056583453 [0,2,0,0,0,0|2,0,0]=4 2303 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [0,2,0,0,0,0|2,0,0]=4 2304 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [0,2,0,0,0,0|2,0,0]=4 2305 B7R0.3 C=CCOC(=O)OC MCULE-9416609870 [0,2,0,0,0,0|2,0,0]=4 2306 B7R0.3 CC#CCC(=O)OC MCULE-4727663716 [0,2,0,0,0,0|2,0,0]=4 2307 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [0,2,0,0,0,0|2,0,0]=4 2308 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [0,2,0,0,0,0|2,0,0]=4 2309 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [0,2,0,0,0,0|2,0,0]=4 2310 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [0,2,0,0,0,0|2,0,0]=4 2311 B7R0.3 CCC(=O)OCOC MCULE-8101176829 [0,2,0,0,0,0|2,0,0]=4 2312 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [0,2,0,0,0,0|2,0,0]=4 2313 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [0,2,0,0,0,0|2,0,0]=4 2314 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [0,2,0,0,0,0|2,0,0]=4 2315 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [0,2,0,0,0,0|2,0,0]=4 2316 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [0,2,0,0,0,0|2,0,0]=4 2317 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [0,2,0,0,0,0|2,0,0]=4 2318 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [0,2,0,0,0,0|2,0,0]=4 2319 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [0,2,0,0,0,0|1,0,0]=3 2320 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [0,2,0,0,0,0|1,1,0]=4 2321 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [0,2,0,0,0,0|2,0,0]=4 2322 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [0,2,0,0,0,0|2,0,0]=4 2323 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [0,2,0,0,0,0|2,0,0]=4 2324 B7R0.3 CNC(=O)NCCN MCULE-4075769099 [0,2,0,0,0,0|2,0,0]=4 2325 B7R0.3 CNC(=O)NCCN MCULE-9668937902 [0,2,0,0,0,0|2,0,0]=4 2326 B7R0.3 CNCC/C(=N/O)/N MCULE-5663392892 [0,2,0,0,0,0|2,0,0]=4 2327 B7R0.3 CNCC/C(=N/O)/N MCULE-9276854772 [0,2,0,0,0,0|2,0,0]=4 2328 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [0,2,0,0,0,0|2,0,0]=4 2329 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [0,2,0,0,0,0|2,0,0]=4 2330 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [0,2,0,0,0,0|1,0,0]=3 2331 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [0,2,0,0,0,0|1,0,0]=3 2332 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [0,2,0,0,0,0|0,0,0]=2 2333 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [0,2,0,0,0,0|0,0,0]=2 2334 B7R0.3 CO/C=C/C(=O)OC MCULE-8858181328 [0,2,0,0,0,0|1,0,1]=4 2335 B7R0.3 COC(=O)/C=C/CN MCULE-6249542756 [0,2,0,0,0,0|1,0,1]=4 2336 B7R0.3 COC(=O)/C=C/CN MCULE-7014993899 [0,2,0,0,0,0|1,0,1]=4 2337 B7R0.3 COC(=O)C#CCN MCULE-5567960811 [0,2,0,0,0,0|1,0,1]=4 2338 B7R0.3 COC(=O)C#CCN MCULE-9518684465 [0,2,0,0,0,0|1,0,1]=4 2339 B7R0.3 COC(=O)C=CCN MCULE-4573398613 [0,2,0,0,0,0|1,0,1]=4 2340 B7R0.3 COC(=O)C=CCN MCULE-4807348004 [0,2,0,0,0,0|1,0,1]=4 2341 B7R0.3 COC(=O)C=CCN MCULE-7751483147 [0,2,0,0,0,0|1,0,1]=4 2342 B7R0.3 COC(=O)CCC#N MCULE-3476013569 [0,2,0,0,0,0|1,0,1]=4 2343 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [0,2,0,0,0,0|2,0,0]=4 2344 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [0,2,0,0,0,0|2,0,0]=4 2345 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [0,2,0,0,0,0|2,0,0]=4 2346 B7R0.3 COC(=O)CCCI MCULE-6607823615 [0,2,0,0,0,0|2,0,0]=4 2347 B7R0.3 COC(=O)CCCN MCULE-2399653885 [0,2,0,0,0,0|1,0,0]=3 2348 B7R0.3 COC(=O)CCCN MCULE-7745643244 [0,2,0,0,0,0|1,0,0]=3 2349 B7R0.3 COC(=O)CCCO MCULE-6149839873 [0,2,0,0,0,0|2,0,0]=4 2350 B7R0.3 COC(=O)CCCS MCULE-6897052882 [0,2,0,0,0,0|2,0,0]=4 2351 B7R0.3 COC(=O)CCSC MCULE-8525618169 [0,2,0,0,0,0|1,1,0]=4 2352 B7R0.3 COC(=O)CN=C=O MCULE-4495056254 [0,2,0,0,0,0|2,0,0]=4 2353 B7R0.3 COC(=O)CN=C=S MCULE-6944178765 [0,2,0,0,0,0|2,0,0]=4 2354 B7R0.3 COC(=O)CN=N#N MCULE-8257278223 [0,2,0,0,0,0|1,0,1]=4 2355 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [0,2,0,0,0,0|2,0,0]=4 2356 B7R0.3 COC(=O)NCCN MCULE-4816806580 [0,2,0,0,0,0|1,0,0]=3 2357 B7R0.3 COC(=O)NCCN MCULE-9765640123 [0,2,0,0,0,0|1,0,0]=3 2358 B7R0.3 COC(=O)NCCO MCULE-7141835204 [0,2,0,0,0,0|2,0,0]=4 2359 B7R0.3 COC=CC(=O)OC MCULE-3167643214 [0,2,0,0,0,0|1,0,1]=4 2360 B7R0.3 COCC/C(=N\O)/N MCULE-3175892655 [0,2,0,0,0,0|2,0,0]=4 2361 B7R0.3 COCC/C(=N\O)/N MCULE-8002911611 [0,2,0,0,0,0|2,0,0]=4 2362 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [0,2,0,0,0,0|2,0,0]=4 2363 B7R0.3 COCCC(=O)NN MCULE-6895114863 [0,2,0,0,0,0|2,0,0]=4 2364 B7R0.3 COCCC(=O)OC MCULE-5918489580 [0,2,0,0,0,0|1,0,0]=3 2365 B7R0.3 NCCNC(=O)CCl MCULE-6059411085 [0,2,0,0,0,0|2,0,0]=4 2366 B7R0.3 NCCNC(=O)CCl MCULE-7545329795 [0,2,0,0,0,0|2,0,0]=4 2367 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [0,2,0,0,0,0|2,0,0]=4 2368 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [0,2,0,0,0,0|2,0,0]=4 2369 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [0,2,0,0,0,0|2,0,0]=4 2370 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,2,0,0,0,0|2,0,0]=4 2371 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,2,0,0,0,0|2,0,0]=4 2372 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,2,0,0,0,0|2,0,0]=4 2373 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,2,0,0,0,0|2,0,0]=4 2374 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,2,0,0,0,0|2,0,0]=4 2375 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,2,0,0,0,0|2,0,0]=4 2376 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,2,0,0,0,0|2,0,0]=4 2377 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,2,0,0,0,0|2,0,0]=4 2378 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,2,0,0,0,0|2,0,0]=4 2379 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,2,0,0,0,0|2,0,0]=4 2380 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,2,0,0,0,0|2,0,0]=4 2381 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,2,0,0,0,0|2,0,0]=4 2382 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,2,0,0,0,0|2,0,0]=4 2383 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,2,0,0,0,0|2,0,0]=4 2384 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,2,0,0,0,0|2,0,0]=4 2385 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,2,0,0,0,0|1,0,0]=3 2386 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,2,0,0,0,0|2,0,0]=4 2387 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,2,0,0,0,0|2,0,0]=4 2388 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,2,0,0,0,0|2,0,0]=4 2389 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,2,0,0,0,0|2,0,0]=4 2390 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,2,0,0,0,0|2,0,0]=4 2391 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,2,0,0,0,0|2,0,0]=4 2392 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,2,0,0,0,0|2,0,0]=4 2393 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,2,0,0,0,0|2,0,0]=4 2394 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,2,0,0,0,0|2,0,0]=4 2395 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,2,0,0,0,0|2,0,0]=4 2396 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,2,0,0,0,0|2,0,0]=4 2397 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,2,0,0,0,0|2,0,0]=4 2398 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,2,0,0,0,0|2,0,0]=4 2399 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,2,0,0,0,0|2,0,0]=4 2400 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,2,0,0,0,0|2,0,0]=4 2401 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,2,0,0,0,0|2,0,0]=4 2402 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,2,0,0,0,0|2,0,0]=4 2403 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [0,2,0,0,0,0|2,0,0]=4 2404 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [0,2,0,0,0,0|2,0,0]=4 2405 B7R0.5 CC(C)C(=O)CCN MCULE-1638964690 [0,2,0,0,0,0|2,0,0]=4 2406 B7R0.5 CC(C)C(=O)CCN MCULE-5188027669 [0,2,0,0,0,0|2,0,0]=4 2407 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,2,0,0,0,0|1,0,0]=3 2408 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,2,0,0,0,0|1,0,0]=3 2409 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,2,0,0,0,0|2,0,0]=4 2410 B7R0.5 CC(N=N#N)C(=O)O MCULE-1449528032 [0,2,0,0,0,0|1,0,1]=4 2411 B7R0.5 CC(N=N#N)C(=O)O MCULE-6367123914 [0,2,0,0,0,0|1,0,1]=4 2412 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,2,0,0,0,0|2,0,0]=4 2413 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,2,0,0,0,0|2,0,0]=4 2414 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,2,0,0,0,0|2,0,0]=4 2415 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,2,0,0,0,0|2,0,0]=4 2416 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,2,0,0,0,0|2,0,0]=4 2417 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,2,0,0,0,0|2,0,0]=4 2418 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,2,0,0,0,0|2,0,0]=4 2419 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,2,0,0,0,0|2,0,0]=4 2420 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,2,0,0,0,0|2,0,0]=4 2421 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,2,0,0,0,0|2,0,0]=4 2422 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,2,0,0,0,0|2,0,0]=4 2423 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,2,0,0,0,0|2,0,0]=4 2424 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,2,0,0,0,0|2,0,0]=4 2425 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,2,0,0,0,0|2,0,0]=4 2426 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,2,0,0,0,0|2,0,0]=4 2427 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,2,0,0,0,0|2,0,0]=4 2428 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,2,0,0,0,0|2,0,0]=4 2429 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,2,0,0,0,0|2,0,0]=4 2430 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,2,0,0,0,0|2,0,0]=4 2431 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,2,0,0,0,0|2,0,0]=4 2432 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,2,0,0,0,0|2,0,0]=4 2433 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,2,0,0,0,0|2,0,0]=4 2434 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,2,0,0,0,0|2,0,0]=4 2435 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,2,0,0,0,0|2,0,0]=4 2436 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,2,0,0,0,0|2,0,0]=4 2437 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,2,0,0,0,0|1,0,1]=4 2438 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,2,0,0,0,0|1,0,0]=3 2439 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,2,0,0,0,0|1,1,0]=4 2440 B7R0.5 CN(C)C(=O)CCN MCULE-1852673058 [0,2,0,0,0,0|2,0,0]=4 2441 B7R0.5 CN(C)C(=O)CCN MCULE-6281328637 [0,2,0,0,0,0|2,0,0]=4 2442 B7R0.5 CN(C)C(=O)CON MCULE-4400747484 [0,2,0,0,0,0|1,0,0]=3 2443 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,2,0,0,0,0|1,0,0]=3 2444 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,2,0,0,0,0|1,0,0]=3 2445 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,2,0,0,0,0|1,0,0]=3 2446 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,2,0,0,0,0|1,0,0]=3 2447 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,2,0,0,0,0|1,0,0]=3 2448 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,2,0,0,0,0|1,0,0]=3 2449 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,2,0,0,0,0|1,0,0]=3 2450 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,2,0,0,0,0|1,0,0]=3 2451 B7R0.5 COCC(=O)C(C)C MCULE-8251961368 [0,2,0,0,0,0|2,0,0]=4 2452 B7R0.5 COCC(=O)N(C)C MCULE-4175778673 [0,2,0,0,0,0|2,0,0]=4 2453 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,2,0,0,0,0|1,0,0]=3 2454 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,2,0,0,0,0|2,0,0]=4 2455 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,2,0,0,0,0|1,0,0]=3 2456 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,2,0,0,0,0|1,0,0]=3 2457 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,2,0,0,0,0|2,0,0]=4 2458 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,2,0,0,0,0|2,0,0]=4 2459 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,2,0,0,0,0|1,0,0]=3 2460 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,2,0,0,0,0|1,0,0]=3 2461 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,2,0,0,0,0|1,0,0]=3 2462 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,2,0,0,0,0|1,0,0]=3 2463 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,2,0,0,0,0|1,0,0]=3 2464 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,2,0,0,0,0|1,0,0]=3 2465 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,2,0,0,0,0|1,0,0]=3 2466 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,2,0,0,0,0|1,0,0]=3 2467 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,2,0,0,0,0|1,0,0]=3 2468 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,2,0,0,0,0|1,0,0]=3 2469 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,2,0,0,0,0|1,0,0]=3 2470 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,2,0,0,0,0|1,0,0]=3 2471 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,2,0,0,0,0|1,0,0]=3 2472 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [0,2,0,0,0,0|1,0,1]=4 2473 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,2,0,0,0,0|1,1,0]=4 2474 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,2,0,0,0,0|1,1,0]=4 2475 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,2,0,0,0,0|1,1,0]=4 2476 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,2,0,0,0,0|1,1,0]=4 2477 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,2,0,0,0,0|2,0,0]=4 2478 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-2214426945 [0,2,0,0,0,0|1,0,1]=4 2479 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-6124505236 [0,2,0,0,0,0|1,0,1]=4 2480 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-3591368470 [0,2,0,0,0,0|1,0,1]=4 2481 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-5109353470 [0,2,0,0,0,0|1,0,1]=4 2482 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-6277841083 [0,2,0,0,0,0|1,0,1]=4 2483 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-7843278634 [0,2,0,0,0,0|1,0,1]=4 2484 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,2,0,0,0,0|2,0,0]=4 2485 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,2,0,0,0,0|2,0,0]=4 2486 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,2,0,0,0,0|1,1,0]=4 2487 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,2,0,0,0,0|1,1,0]=4 2488 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,2,0,0,0,0|1,1,0]=4 2489 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,2,0,0,0,0|1,1,0]=4 2490 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,2,0,0,0,0|1,1,0]=4 2491 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,2,0,0,0,0|1,1,0]=4 2492 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,2,0,0,0,0|1,0,1]=4 2493 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,2,0,0,0,0|1,0,1]=4 2494 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,2,0,0,0,0|1,0,1]=4 2495 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,2,0,0,0,0|2,0,0]=4 2496 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,2,0,0,0,0|2,0,0]=4 2497 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,2,0,0,0,0|2,0,0]=4 2498 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,2,0,0,0,0|2,0,0]=4 2499 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,2,0,0,0,0|2,0,0]=4 2500 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,2,0,0,0,0|2,0,0]=4 2501 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,2,0,0,0,0|2,0,0]=4 2502 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,2,0,0,0,0|2,0,0]=4 2503 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,2,0,0,0,0|1,0,0]=3 2504 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,2,0,0,0,0|1,0,0]=3 2505 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,2,0,0,0,0|1,0,0]=3 2506 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,2,0,0,0,0|1,0,0]=3 2507 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,2,0,0,0,0|1,0,0]=3 2508 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,2,0,0,0,0|1,0,0]=3 2509 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,2,0,0,0,0|1,0,0]=3 2510 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,2,0,0,0,0|1,0,0]=3 2511 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,2,0,0,0,0|1,0,0]=3 2512 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,2,0,0,0,0|1,0,0]=3 2513 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,2,0,0,0,0|1,0,0]=3 2514 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,2,0,0,0,0|1,0,0]=3 2515 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,2,0,0,0,0|1,0,0]=3 2516 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,2,0,0,0,0|1,0,0]=3 2517 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,2,0,0,0,0|1,0,0]=3 2518 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,2,0,0,0,0|1,0,0]=3 2519 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,2,0,0,0,0|1,0,0]=3 2520 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,2,0,0,0,0|1,0,0]=3 2521 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,2,0,0,0,0|1,0,0]=3 2522 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,2,0,0,0,0|1,0,0]=3 2523 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,2,0,0,0,0|1,0,0]=3 2524 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,2,0,0,0,0|1,0,0]=3 2525 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,2,0,0,0,0|1,0,0]=3 2526 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,2,0,0,0,0|1,0,0]=3 2527 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,2,0,0,0,0|1,0,0]=3 2528 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,2,0,0,0,0|1,0,0]=3 2529 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,2,0,0,0,0|1,0,0]=3 2530 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,2,0,0,0,0|1,0,0]=3 2531 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,2,0,0,0,0|0,0,0]=2 2532 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,2,0,0,0,0|2,0,0]=4 2533 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,2,0,0,0,0|2,0,0]=4 2534 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,2,0,0,0,0|2,0,0]=4 2535 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,2,0,0,0,0|2,0,0]=4 2536 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,2,0,0,0,0|2,0,0]=4 2537 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,2,0,0,0,0|2,0,0]=4 2538 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,2,0,0,0,0|2,0,0]=4 2539 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,2,0,0,0,0|2,0,0]=4 2540 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,2,0,0,0,0|1,1,0]=4 2541 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,2,0,0,0,0|2,0,0]=4 2542 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,2,0,0,0,0|2,0,0]=4 2543 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,2,0,0,0,0|2,0,0]=4 2544 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,2,0,0,0,0|2,0,0]=4 2545 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,2,0,0,0,0|2,0,0]=4 2546 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,2,0,0,0,0|2,0,0]=4 2547 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,2,0,0,0,0|2,0,0]=4 2548 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,2,0,0,0,0|2,0,0]=4 2549 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,2,0,0,0,0|2,0,0]=4 2550 B7R0.7 C#CCC(=O)OCC MCULE-2012473321 [0,2,0,0,0,0|2,0,0]=4 2551 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [0,2,0,0,0,0|2,0,0]=4 2552 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [0,2,0,0,0,0|2,0,0]=4 2553 B7R0.7 CCCC(=O)OCC MCULE-9977024136 [0,2,0,0,0,0|2,0,0]=4 2554 B7R0.7 CCCC(=O)OCCl MCULE-5186069317 [0,2,0,0,0,0|2,0,0]=4 2555 B7R0.7 CCNC(=O)CCN MCULE-2856252531 [0,2,0,0,0,0|2,0,0]=4 2556 B7R0.7 CCNC(=O)CCN MCULE-3929666209 [0,2,0,0,0,0|2,0,0]=4 2557 B7R0.7 CCOC(=N)COC MCULE-1358920023 [0,2,0,0,0,0|2,0,0]=4 2558 B7R0.7 CCOC(=N)COC MCULE-8494947544 [0,2,0,0,0,0|2,0,0]=4 2559 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [0,2,0,0,0,0|1,0,1]=4 2560 B7R0.7 CCOC(=O)C=NN MCULE-5132323904 [0,2,0,0,0,0|1,0,1]=4 2561 B7R0.7 CCOC(=O)C=NN MCULE-5899717314 [0,2,0,0,0,0|1,0,1]=4 2562 B7R0.7 CCOC(=O)CC#N MCULE-3161671261 [0,2,0,0,0,0|1,0,1]=4 2563 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [0,2,0,0,0,0|2,0,0]=4 2564 B7R0.7 CCOC(=O)CCBr MCULE-1898467026 [0,2,0,0,0,0|2,0,0]=4 2565 B7R0.7 CCOC(=O)CCCl MCULE-2623656770 [0,2,0,0,0,0|2,0,0]=4 2566 B7R0.7 CCOC(=O)CCI MCULE-9651397551 [0,2,0,0,0,0|2,0,0]=4 2567 B7R0.7 CCOC(=O)CCN MCULE-4383008445 [0,2,0,0,0,0|1,0,0]=3 2568 B7R0.7 CCOC(=O)CCN MCULE-6873709061 [0,2,0,0,0,0|1,0,0]=3 2569 B7R0.7 CCOC(=O)CCO MCULE-3972081033 [0,2,0,0,0,0|2,0,0]=4 2570 B7R0.7 CCOC(=O)CCS MCULE-3955367746 [0,2,0,0,0,0|2,0,0]=4 2571 B7R0.7 CCOC(=O)CNC MCULE-3219895330 [0,2,0,0,0,0|2,0,0]=4 2572 B7R0.7 CCOC(=O)CNC MCULE-6164649520 [0,2,0,0,0,0|2,0,0]=4 2573 B7R0.7 CCOC(=O)CNN MCULE-2832319636 [0,2,0,0,0,0|1,0,0]=3 2574 B7R0.7 CCOC(=O)CNN MCULE-3479623348 [0,2,0,0,0,0|1,0,0]=3 2575 B7R0.7 CCOC(=O)CNN MCULE-5066106273 [0,2,0,0,0,0|1,0,0]=3 2576 B7R0.7 CCOC(=O)COC MCULE-7739678079 [0,2,0,0,0,0|1,0,0]=3 2577 B7R0.7 CCOC(=O)CON MCULE-4924818206 [0,2,0,0,0,0|0,0,0]=2 2578 B7R0.7 CCOC(=O)CSC MCULE-5199209389 [0,2,0,0,0,0|1,1,0]=4 2579 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [0,2,0,0,0,0|2,0,0]=4 2580 B7R0.7 COCC(=O)CC#N MCULE-7023614757 [0,2,0,0,0,0|1,0,1]=4 2581 B7R0.7 COCC(=O)COC MCULE-5119511792 [0,2,0,0,0,0|1,0,0]=3 2582 B7R0.7 COCC(O)CON MCULE-3159534337 [0,2,0,0,0,0|0,0,2]=4 2583 B7R0.7 O=C(CCO)CCO MCULE-8765223516 [0,2,0,0,0,0|2,0,0]=4 2584 B7R0.10 C=C(OC)C(=O)OC MCULE-3256769494 [0,2,0,0,0,0|1,0,1]=4 2585 B7R0.10 C=CC(Cl)C(=O)OC MCULE-8371197919 [0,2,0,0,0,0|2,0,0]=4 2586 B7R0.10 C=CC(N)C(=O)OC MCULE-6449924585 [0,2,0,0,0,0|2,0,0]=4 2587 B7R0.10 C=CC(N)C(=O)OC MCULE-8138684326 [0,2,0,0,0,0|2,0,0]=4 2588 B7R0.10 C=CC(O)C(=O)OC MCULE-8475572887 [0,2,0,0,0,0|2,0,0]=4 2589 B7R0.10 CCC(Br)C(=O)OC MCULE-2335527491 [0,2,0,0,0,0|2,0,0]=4 2590 B7R0.10 CCC(C)C(=O)OC MCULE-9845747952 [0,2,0,0,0,0|2,0,0]=4 2591 B7R0.10 CCC(Cl)C(=O)OC MCULE-4773486285 [0,2,0,0,0,0|2,0,0]=4 2592 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,2,0,0,0,0|2,0,0]=4 2593 B7R0.10 CCC(N)C(=O)OC MCULE-1569242271 [0,2,0,0,0,0|2,0,0]=4 2594 B7R0.10 CCC(N)C(=O)OC MCULE-3183954116 [0,2,0,0,0,0|2,0,0]=4 2595 B7R0.10 CCC(N)C(=O)OC MCULE-4045754117 [0,2,0,0,0,0|2,0,0]=4 2596 B7R0.10 CCC(N)C(=O)OC MCULE-5328984047 [0,2,0,0,0,0|2,0,0]=4 2597 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,2,0,0,0,0|2,0,0]=4 2598 B7R0.10 CC[C@@H](Br)C(=O)OC MCULE-2676798410 [0,2,0,0,0,0|2,0,0]=4 2599 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6794991435 [0,2,0,0,0,0|2,0,0]=4 2600 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6825672331 [0,2,0,0,0,0|2,0,0]=4 2601 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-7307663817 [0,2,0,0,0,0|2,0,0]=4 2602 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-8717527808 [0,2,0,0,0,0|2,0,0]=4 2603 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,2,0,0,0,0|2,0,0]=4 2604 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,2,0,0,0,0|2,0,0]=4 2605 B7R0.10 CC[C@H](Br)C(=O)OC MCULE-5490793206 [0,2,0,0,0,0|2,0,0]=4 2606 B7R0.10 CC[C@H](N)C(=O)OC MCULE-2336816190 [0,2,0,0,0,0|2,0,0]=4 2607 B7R0.10 CC[C@H](N)C(=O)OC MCULE-3480066740 [0,2,0,0,0,0|2,0,0]=4 2608 B7R0.10 CC[C@H](N)C(=O)OC MCULE-4883083558 [0,2,0,0,0,0|2,0,0]=4 2609 B7R0.10 CC[C@H](N)C(=O)OC MCULE-6241184216 [0,2,0,0,0,0|2,0,0]=4 2610 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,2,0,0,0,0|2,0,0]=4 2611 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,2,0,0,0,0|2,0,0]=4 2612 B7R0.10 CNC(=O)C(C)CN MCULE-6853199259 [0,2,0,0,0,0|2,0,0]=4 2613 B7R0.10 CNC(=O)C(C)CN MCULE-9315732080 [0,2,0,0,0,0|2,0,0]=4 2614 B7R0.10 CNC(=O)C(O)CN MCULE-4650373222 [0,2,0,0,0,0|2,0,0]=4 2615 B7R0.10 CNC(=O)C(O)CN MCULE-8978952332 [0,2,0,0,0,0|2,0,0]=4 2616 B7R0.10 CNC(C)C(=O)OC MCULE-1524259113 [0,2,0,0,0,0|2,0,0]=4 2617 B7R0.10 CNC(C)C(=O)OC MCULE-2414146201 [0,2,0,0,0,0|2,0,0]=4 2618 B7R0.10 CNC(C)C(=O)OC MCULE-3192973771 [0,2,0,0,0,0|2,0,0]=4 2619 B7R0.10 CNC(C)C(=O)OC MCULE-9929257431 [0,2,0,0,0,0|2,0,0]=4 2620 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-1271745038 [0,2,0,0,0,0|2,0,0]=4 2621 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-3018199319 [0,2,0,0,0,0|2,0,0]=4 2622 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3420184809 [0,2,0,0,0,0|2,0,0]=4 2623 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3818454089 [0,2,0,0,0,0|2,0,0]=4 2624 B7R0.10 CN[C@H](C)C(=O)OC MCULE-8297775033 [0,2,0,0,0,0|2,0,0]=4 2625 B7R0.10 CN[C@H](C)C(=O)OC MCULE-9637759835 [0,2,0,0,0,0|2,0,0]=4 2626 B7R0.10 COC(=O)C(=O)NN MCULE-7834741474 [0,2,0,0,0,0|1,0,1]=4 2627 B7R0.10 COC(=O)C(=O)OC MCULE-5018268642 [0,2,0,0,0,0|1,0,1]=4 2628 B7R0.10 COC(=O)C(Br)CBr MCULE-7056048789 [0,2,0,0,0,0|2,0,0]=4 2629 B7R0.10 COC(=O)C(Br)CF MCULE-4013908914 [0,2,0,0,0,0|2,0,0]=4 2630 B7R0.10 COC(=O)C(Br)CO MCULE-1678765423 [0,2,0,0,0,0|2,0,0]=4 2631 B7R0.10 COC(=O)C(Br)CO MCULE-8437488397 [0,2,0,0,0,0|2,0,0]=4 2632 B7R0.10 COC(=O)C(Br)OC MCULE-5672396067 [0,2,0,0,0,0|1,0,0]=3 2633 B7R0.10 COC(=O)C(C)C#N MCULE-3764857061 [0,2,0,0,0,0|1,0,1]=4 2634 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [0,2,0,0,0,0|2,0,0]=4 2635 B7R0.10 COC(=O)C(C)CBr MCULE-5887558960 [0,2,0,0,0,0|2,0,0]=4 2636 B7R0.10 COC(=O)C(C)CBr MCULE-9291707503 [0,2,0,0,0,0|2,0,0]=4 2637 B7R0.10 COC(=O)C(C)CN MCULE-8139628698 [0,2,0,0,0,0|1,0,0]=3 2638 B7R0.10 COC(=O)C(C)CN MCULE-8839292519 [0,2,0,0,0,0|1,0,0]=3 2639 B7R0.10 COC(=O)C(C)CO MCULE-1168600238 [0,2,0,0,0,0|2,0,0]=4 2640 B7R0.10 COC(=O)C(C)CO MCULE-9207150786 [0,2,0,0,0,0|2,0,0]=4 2641 B7R0.10 COC(=O)C(C)CS MCULE-2870797526 [0,2,0,0,0,0|2,0,0]=4 2642 B7R0.10 COC(=O)C(C)OC MCULE-3274761391 [0,2,0,0,0,0|1,0,0]=3 2643 B7R0.10 COC(=O)C(C)ON MCULE-1829014190 [0,2,0,0,0,0|0,0,0]=2 2644 B7R0.10 COC(=O)C(C)ON MCULE-4104938309 [0,2,0,0,0,0|0,0,0]=2 2645 B7R0.10 COC(=O)C(C)SC MCULE-6914204626 [0,2,0,0,0,0|1,1,0]=4 2646 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [0,2,0,0,0,0|2,0,0]=4 2647 B7R0.10 COC(=O)C(Cl)CCl MCULE-3086208783 [0,2,0,0,0,0|2,0,0]=4 2648 B7R0.10 COC(=O)C(Cl)CO MCULE-9496750776 [0,2,0,0,0,0|2,0,0]=4 2649 B7R0.10 COC(=O)C(Cl)OC MCULE-8296320773 [0,2,0,0,0,0|1,0,0]=3 2650 B7R0.10 COC(=O)C(F)CN MCULE-3089053107 [0,2,0,0,0,0|1,0,0]=3 2651 B7R0.10 COC(=O)C(F)CN MCULE-5618581260 [0,2,0,0,0,0|1,0,0]=3 2652 B7R0.10 COC(=O)C(F)CO MCULE-2188518229 [0,2,0,0,0,0|2,0,0]=4 2653 B7R0.10 COC(=O)C(N)C#N MCULE-9016686741 [0,2,0,0,0,0|1,0,1]=4 2654 B7R0.10 COC(=O)C(N)CCl MCULE-2253564316 [0,2,0,0,0,0|2,0,0]=4 2655 B7R0.10 COC(=O)C(N)CCl MCULE-3851909822 [0,2,0,0,0,0|2,0,0]=4 2656 B7R0.10 COC(=O)C(N)CCl MCULE-4649966066 [0,2,0,0,0,0|2,0,0]=4 2657 B7R0.10 COC(=O)C(N)CCl MCULE-9193407415 [0,2,0,0,0,0|2,0,0]=4 2658 B7R0.10 COC(=O)C(N)CF MCULE-2617218019 [0,2,0,0,0,0|2,0,0]=4 2659 B7R0.10 COC(=O)C(N)CF MCULE-3926207531 [0,2,0,0,0,0|2,0,0]=4 2660 B7R0.10 COC(=O)C(N)CN MCULE-7949926265 [0,2,0,0,0,0|1,0,0]=3 2661 B7R0.10 COC(=O)C(N)CN MCULE-9215212479 [0,2,0,0,0,0|1,0,0]=3 2662 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [0,2,0,0,0,0|2,0,0]=4 2663 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [0,2,0,0,0,0|2,0,0]=4 2664 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [0,2,0,0,0,0|2,0,0]=4 2665 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [0,2,0,0,0,0|2,0,0]=4 2666 B7R0.10 COC(=O)C(N)CS MCULE-5131519605 [0,2,0,0,0,0|2,0,0]=4 2667 B7R0.10 COC(=O)C(N)CS MCULE-5561205392 [0,2,0,0,0,0|2,0,0]=4 2668 B7R0.10 COC(=O)C(N)CS MCULE-9291008448 [0,2,0,0,0,0|2,0,0]=4 2669 B7R0.10 COC(=O)C(N)CS MCULE-9963292576 [0,2,0,0,0,0|2,0,0]=4 2670 B7R0.10 COC(=O)C(O)C#N MCULE-2296440580 [0,2,0,0,0,0|1,0,1]=4 2671 B7R0.10 COC(=O)C(O)CCl MCULE-1480405341 [0,2,0,0,0,0|2,0,0]=4 2672 B7R0.10 COC(=O)C(O)CN MCULE-1003241246 [0,2,0,0,0,0|1,0,0]=3 2673 B7R0.10 COC(=O)C(O)CN MCULE-9006804473 [0,2,0,0,0,0|1,0,0]=3 2674 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [0,2,0,0,0,0|2,0,0]=4 2675 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [0,2,0,0,0,0|2,0,0]=4 2676 B7R0.10 COC(=O)C(O)OC MCULE-5465190164 [0,2,0,0,0,0|1,0,0]=3 2677 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8075978888 [0,2,0,0,0,0|2,0,0]=4 2678 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8903256620 [0,2,0,0,0,0|2,0,0]=4 2679 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-5530851181 [0,2,0,0,0,0|2,0,0]=4 2680 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-8885621324 [0,2,0,0,0,0|2,0,0]=4 2681 B7R0.10 COC(=O)[C@@H](C)CN MCULE-7205157481 [0,2,0,0,0,0|1,0,0]=3 2682 B7R0.10 COC(=O)[C@@H](C)CN MCULE-9885299909 [0,2,0,0,0,0|1,0,0]=3 2683 B7R0.10 COC(=O)[C@@H](C)CO MCULE-6738074317 [0,2,0,0,0,0|2,0,0]=4 2684 B7R0.10 COC(=O)[C@@H](C)CO MCULE-9697255968 [0,2,0,0,0,0|2,0,0]=4 2685 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2209395189 [0,2,0,0,0,0|1,0,0]=3 2686 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2951378763 [0,2,0,0,0,0|1,0,0]=3 2687 B7R0.10 COC(=O)[C@@H](F)CN MCULE-4599856185 [0,2,0,0,0,0|1,0,0]=3 2688 B7R0.10 COC(=O)[C@@H](F)CN MCULE-5571914049 [0,2,0,0,0,0|1,0,0]=3 2689 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-1649684135 [0,2,0,0,0,0|2,0,0]=4 2690 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-4803192908 [0,2,0,0,0,0|2,0,0]=4 2691 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-6514033613 [0,2,0,0,0,0|2,0,0]=4 2692 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-7997387565 [0,2,0,0,0,0|2,0,0]=4 2693 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4407014418 [0,2,0,0,0,0|1,0,0]=3 2694 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4854066134 [0,2,0,0,0,0|1,0,0]=3 2695 B7R0.10 COC(=O)[C@@H](N)CN MCULE-5060962890 [0,2,0,0,0,0|1,0,0]=3 2696 B7R0.10 COC(=O)[C@@H](N)CN MCULE-8572432694 [0,2,0,0,0,0|1,0,0]=3 2697 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [0,2,0,0,0,0|2,0,0]=4 2698 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [0,2,0,0,0,0|2,0,0]=4 2699 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [0,2,0,0,0,0|2,0,0]=4 2700 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [0,2,0,0,0,0|2,0,0]=4 2701 B7R0.10 COC(=O)[C@@H](N)CS MCULE-2560943261 [0,2,0,0,0,0|2,0,0]=4 2702 B7R0.10 COC(=O)[C@@H](N)CS MCULE-3682774490 [0,2,0,0,0,0|2,0,0]=4 2703 B7R0.10 COC(=O)[C@@H](N)CS MCULE-6613123984 [0,2,0,0,0,0|2,0,0]=4 2704 B7R0.10 COC(=O)[C@@H](N)CS MCULE-7354291938 [0,2,0,0,0,0|2,0,0]=4 2705 B7R0.10 COC(=O)[C@@H](O)CN MCULE-1265508864 [0,2,0,0,0,0|1,0,0]=3 2706 B7R0.10 COC(=O)[C@@H](O)CN MCULE-2334791448 [0,2,0,0,0,0|1,0,0]=3 2707 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6207278824 [0,2,0,0,0,0|1,0,0]=3 2708 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6634004594 [0,2,0,0,0,0|1,0,0]=3 2709 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [0,2,0,0,0,0|2,0,0]=4 2710 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [0,2,0,0,0,0|2,0,0]=4 2711 B7R0.10 COC(=O)[C@H](Br)CO MCULE-8230787734 [0,2,0,0,0,0|2,0,0]=4 2712 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [0,2,0,0,0,0|2,0,0]=4 2713 B7R0.10 COC(=O)[C@H](C)CBr MCULE-3829202918 [0,2,0,0,0,0|2,0,0]=4 2714 B7R0.10 COC(=O)[C@H](C)CBr MCULE-4931737781 [0,2,0,0,0,0|2,0,0]=4 2715 B7R0.10 COC(=O)[C@H](C)CN MCULE-4694019206 [0,2,0,0,0,0|1,0,0]=3 2716 B7R0.10 COC(=O)[C@H](C)CN MCULE-9113866081 [0,2,0,0,0,0|1,0,0]=3 2717 B7R0.10 COC(=O)[C@H](C)CO MCULE-5719676432 [0,2,0,0,0,0|2,0,0]=4 2718 B7R0.10 COC(=O)[C@H](C)CO MCULE-8479546806 [0,2,0,0,0,0|2,0,0]=4 2719 B7R0.10 COC(=O)[C@H](C)OC MCULE-3095326114 [0,2,0,0,0,0|1,0,0]=3 2720 B7R0.10 COC(=O)[C@H](N)CCl MCULE-1199425954 [0,2,0,0,0,0|2,0,0]=4 2721 B7R0.10 COC(=O)[C@H](N)CCl MCULE-2611523756 [0,2,0,0,0,0|2,0,0]=4 2722 B7R0.10 COC(=O)[C@H](N)CCl MCULE-6503487325 [0,2,0,0,0,0|2,0,0]=4 2723 B7R0.10 COC(=O)[C@H](N)CCl MCULE-8714444412 [0,2,0,0,0,0|2,0,0]=4 2724 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [0,2,0,0,0,0|2,0,0]=4 2725 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [0,2,0,0,0,0|2,0,0]=4 2726 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [0,2,0,0,0,0|2,0,0]=4 2727 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [0,2,0,0,0,0|2,0,0]=4 2728 B7R0.10 COC(=O)[C@H](N)CS MCULE-1845308816 [0,2,0,0,0,0|2,0,0]=4 2729 B7R0.10 COC(=O)[C@H](N)CS MCULE-3480554390 [0,2,0,0,0,0|2,0,0]=4 2730 B7R0.10 COC(=O)[C@H](N)CS MCULE-4432617084 [0,2,0,0,0,0|2,0,0]=4 2731 B7R0.10 COC(=O)[C@H](N)CS MCULE-5747217193 [0,2,0,0,0,0|2,0,0]=4 2732 B7R0.10 COC(=O)[C@H](O)CN MCULE-5902729244 [0,2,0,0,0,0|1,0,0]=3 2733 B7R0.10 COC(=O)[C@H](O)CN MCULE-9252373981 [0,2,0,0,0,0|1,0,0]=3 2734 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [0,2,0,0,0,0|2,0,0]=4 2735 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [0,2,0,0,0,0|2,0,0]=4 2736 B7R0.10 COC(C)/C(=N/O)/N MCULE-3009628521 [0,2,0,0,0,0|2,0,0]=4 2737 B7R0.10 COC(C)C(=O)NN MCULE-7263059210 [0,2,0,0,0,0|2,0,0]=4 2738 B7R0.10 NC(CCl)C(=O)NO MCULE-8256545065 [0,2,0,0,0,0|2,0,0]=4 2739 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [0,2,0,0,0,0|2,0,0]=4 2740 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [0,2,0,0,0,0|2,0,0]=4 2741 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [0,2,0,0,0,0|2,0,0]=4 2742 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [0,2,0,0,0,0|2,0,0]=4 2743 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-1799930850 [0,2,0,0,0,0|2,0,0]=4 2744 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-5931188957 [0,2,0,0,0,0|2,0,0]=4 2745 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [0,2,0,0,0,0|2,0,0]=4 2746 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [0,2,0,0,0,0|2,0,0]=4 2747 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [0,2,0,0,0,0|2,0,0]=4 2748 B7R0.9 CC(=O)CS(=O)(=O)N MCULE-1632563820 [0,2,0,0,0,0|1,1,0]=4 2749 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,2,0,0,0,0|2,0,0]=4 2750 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,2,0,0,0,0|2,0,0]=4 2751 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [0,2,0,0,0,0|2,0,0]=4 2752 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [0,2,0,0,0,0|2,0,0]=4 2753 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,2,0,0,0,0|1,0,0]=3 2754 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,2,0,0,0,0|1,0,0]=3 2755 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,2,0,0,0,0|1,0,0]=3 2756 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,2,0,0,0,0|2,0,0]=4 2757 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,2,0,0,0,0|2,0,0]=4 2758 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [0,2,0,0,0,0|2,0,0]=4 2759 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [0,2,0,0,0,0|2,0,0]=4 2760 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,2,0,0,0,0|1,1,0]=4 2761 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [0,2,0,0,0,0|2,0,0]=4 2762 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [0,2,0,0,0,0|2,0,0]=4 2763 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [0,2,0,0,0,0|2,0,0]=4 2764 B7R0.9 NC(=O)CS(=O)(=O)N MCULE-5735073011 [0,2,0,0,0,0|1,1,0]=4 2765 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [0,2,0,0,0,0|0,1,0]=3 2766 B7R0.9 O=C(O)CC(F)(F)F MCULE-5328586639 [0,2,0,0,0,0|2,0,0]=4 2767 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,2,0,0,0,0|2,0,0]=4 2768 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [0,2,0,0,0,0|1,1,0]=4 2769 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,2,0,0,0,0|2,0,0]=4 2770 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,2,0,0,0,0|2,0,0]=4 2771 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,2,0,0,0,0|2,0,0]=4 2772 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,2,0,0,0,0|2,0,0]=4 2773 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,2,0,0,0,0|2,0,0]=4 2774 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,2,0,0,0,0|2,0,0]=4 2775 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,2,0,0,0,0|2,0,0]=4 2776 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,2,0,0,0,0|2,0,0]=4 2777 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,2,0,0,0,0|2,0,0]=4 2778 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,2,0,0,0,0|2,0,0]=4 2779 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,2,0,0,0,0|2,0,0]=4 2780 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,2,0,0,0,0|2,0,0]=4 2781 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,2,0,0,0,0|2,0,0]=4 2782 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,2,0,0,0,0|2,0,0]=4 2783 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,2,0,0,0,0|1,0,0]=3 2784 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,2,0,0,0,0|2,0,0]=4 2785 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,2,0,0,0,0|2,0,0]=4 2786 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,2,0,0,0,0|2,0,0]=4 2787 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,2,0,0,0,0|2,0,0]=4 2788 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,2,0,0,0,0|2,0,0]=4 2789 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,2,0,0,0,0|2,0,0]=4 2790 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,2,0,0,0,0|2,0,0]=4 2791 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,2,0,0,0,0|2,0,0]=4 2792 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,2,0,0,0,0|2,0,0]=4 2793 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,2,0,0,0,0|2,0,0]=4 2794 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,2,0,0,0,0|2,0,0]=4 2795 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,2,0,0,0,0|2,0,0]=4 2796 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,2,0,0,0,0|2,0,0]=4 2797 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,2,0,0,0,0|2,0,0]=4 2798 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,2,0,0,0,0|2,0,0]=4 2799 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,2,0,0,0,0|2,0,0]=4 2800 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,2,0,0,0,0|2,0,0]=4 2801 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,2,0,0,0,0|2,0,0]=4 2802 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,2,0,0,0,0|2,0,0]=4 2803 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,2,0,0,0,0|2,0,0]=4 2804 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,2,0,0,0,0|2,0,0]=4 2805 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,2,0,0,0,0|2,0,0]=4 2806 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,2,0,0,0,0|2,0,0]=4 2807 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,2,0,0,0,0|2,0,0]=4 2808 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,2,0,0,0,0|2,0,0]=4 2809 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,2,0,0,0,0|2,0,0]=4 2810 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,2,0,0,0,0|1,0,0]=3 2811 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,2,0,0,0,0|1,0,0]=3 2812 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,2,0,0,0,0|1,0,0]=3 2813 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,2,0,0,0,0|1,0,0]=3 2814 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,2,0,0,0,0|2,0,0]=4 2815 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,2,0,0,0,0|2,0,0]=4 2816 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,2,0,0,0,0|2,0,0]=4 2817 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,2,0,0,0,0|2,0,0]=4 2818 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,2,0,0,0,0|2,0,0]=4 2819 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,2,0,0,0,0|2,0,0]=4 2820 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,2,0,0,0,0|1,0,0]=3 2821 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,2,0,0,0,0|2,0,0]=4 2822 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,2,0,0,0,0|2,0,0]=4 2823 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,2,0,0,0,0|2,0,0]=4 2824 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,2,0,0,0,0|2,0,0]=4 2825 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,2,0,0,0,0|2,0,0]=4 2826 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,2,0,0,0,0|2,0,0]=4 2827 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,2,0,0,0,0|2,0,0]=4 2828 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,2,0,0,0,0|2,0,0]=4 2829 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,2,0,0,0,0|2,0,0]=4 2830 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,2,0,0,0,0|2,0,0]=4 2831 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,2,0,0,0,0|2,0,0]=4 2832 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,2,0,0,0,0|2,0,0]=4 2833 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,2,0,0,0,0|1,0,0]=3 2834 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,2,0,0,0,0|1,0,0]=3 2835 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,2,0,0,0,0|2,0,0]=4 2836 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,2,0,0,0,0|1,0,0]=3 2837 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,2,0,0,0,0|1,0,0]=3 2838 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,2,0,0,0,0|1,0,0]=3 2839 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,2,0,0,0,0|1,0,0]=3 2840 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,2,0,0,0,0|2,0,0]=4 2841 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,2,0,0,0,0|2,0,0]=4 2842 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,2,0,0,0,0|2,0,0]=4 2843 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,2,0,0,0,0|2,0,0]=4 2844 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,2,0,0,0,0|2,0,0]=4 2845 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,2,0,0,0,0|2,0,0]=4 2846 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,2,0,0,0,0|2,0,0]=4 2847 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,2,0,0,0,0|2,0,0]=4 2848 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,2,0,0,0,0|2,0,0]=4 2849 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,2,0,0,0,0|2,0,0]=4 2850 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,2,0,0,0,0|2,0,0]=4 2851 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,2,0,0,0,0|2,0,0]=4 2852 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,2,0,0,0,0|2,0,0]=4 2853 B7R0.13 C#CC(C)(C)C(=O)O MCULE-4971472343 [0,2,0,0,0,0|2,0,0]=4 2854 B7R0.13 C=CC(C)(C)C(=O)O MCULE-4029204507 [0,2,0,0,0,0|2,0,0]=4 2855 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,2,0,0,0,0|2,0,0]=4 2856 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [0,2,0,0,0,0|2,0,0]=4 2857 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [0,2,0,0,0,0|2,0,0]=4 2858 B7R0.13 CC(C)(C#N)C(=O)O MCULE-8297007076 [0,2,0,0,0,0|1,0,1]=4 2859 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [0,2,0,0,0,0|2,0,0]=4 2860 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [0,2,0,0,0,0|2,0,0]=4 2861 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [0,2,0,0,0,0|2,0,0]=4 2862 B7R0.13 CC(C)(CN)C(=O)N MCULE-6885361465 [0,2,0,0,0,0|2,0,0]=4 2863 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [0,2,0,0,0,0|1,0,0]=3 2864 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [0,2,0,0,0,0|1,0,0]=3 2865 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [0,2,0,0,0,0|2,0,0]=4 2866 B7R0.13 CC(C)(ON)C(=O)O MCULE-3628409953 [0,2,0,0,0,0|0,0,0]=2 2867 B7R0.13 CC(C)(ON)C(=O)O MCULE-4840137554 [0,2,0,0,0,0|0,0,0]=2 2868 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [0,2,0,0,0,0|2,0,0]=4 2869 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,2,0,0,0,0|2,0,0]=4 2870 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,2,0,0,0,0|2,0,0]=4 2871 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,2,0,0,0,0|2,0,0]=4 2872 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,2,0,0,0,0|2,0,0]=4 2873 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [0,2,0,0,0,0|2,0,0]=4 2874 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [0,2,0,0,0,0|2,0,0]=4 2875 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,2,0,0,0,0|2,0,0]=4 2876 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [0,2,0,0,0,0|2,0,0]=4 2877 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [0,2,0,0,0,0|2,0,0]=4 2878 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,2,0,0,0,0|2,0,0]=4 2879 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,2,0,0,0,0|2,0,0]=4 2880 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,2,0,0,0,0|2,0,0]=4 2881 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,2,0,0,0,0|2,0,0]=4 2882 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [0,2,0,0,0,0|2,0,0]=4 2883 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [0,2,0,0,0,0|2,0,0]=4 2884 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,2,0,0,0,0|2,0,0]=4 2885 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,2,0,0,0,0|2,0,0]=4 2886 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,2,0,0,0,0|2,0,0]=4 2887 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,2,0,0,0,0|2,0,0]=4 2888 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,2,0,0,0,0|2,0,0]=4 2889 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,2,0,0,0,0|2,0,0]=4 2890 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,2,0,0,0,0|2,0,0]=4 2891 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,2,0,0,0,0|2,0,0]=4 2892 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,2,0,0,0,0|2,0,0]=4 2893 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [0,2,0,0,0,0|2,0,0]=4 2894 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [0,2,0,0,0,0|2,0,0]=4 2895 B7R0.13 COC(C)(C)C(=O)C MCULE-2989232242 [0,2,0,0,0,0|2,0,0]=4 2896 B7R0.13 COC(C)(C)C(=O)N MCULE-4305162688 [0,2,0,0,0,0|2,0,0]=4 2897 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [0,2,0,0,0,0|1,0,0]=3 2898 B7R0.13 CSC(C)(C)C(=O)O MCULE-1032417728 [0,2,0,0,0,0|1,1,0]=4 2899 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,2,0,0,0,0|2,0,0]=4 2900 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,2,0,0,0,0|2,0,0]=4 2901 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,2,0,0,0,0|2,0,0]=4 2902 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,2,0,0,0,0|2,0,0]=4 2903 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,2,0,0,0,0|2,0,0]=4 2904 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,2,0,0,0,0|2,0,0]=4 2905 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [0,2,0,0,0,0|2,0,0]=4 2906 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [0,2,0,0,0,0|2,0,0]=4 2907 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,2,0,0,0,0|2,0,0]=4 2908 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,2,0,0,0,0|2,0,0]=4 2909 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,2,0,0,0,0|2,0,0]=4 2910 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,2,0,0,0,0|2,0,0]=4 2911 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,2,0,0,0,0|2,0,0]=4 2912 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,2,0,0,0,0|2,0,0]=4 2913 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [0,2,0,0,0,0|2,0,0]=4 2914 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [0,2,0,0,0,0|2,0,0]=4 2915 B7R0.13 NCC(F)(F)C(=O)N MCULE-1522301920 [0,2,0,0,0,0|2,0,0]=4 2916 B7R0.13 NCC(F)(F)C(=O)N MCULE-2239490291 [0,2,0,0,0,0|2,0,0]=4 2917 B7R0.13 NCC(F)(F)C(=O)O MCULE-3688560337 [0,2,0,0,0,0|1,0,0]=3 2918 B7R0.13 NCC(F)(F)C(=O)O MCULE-9077054646 [0,2,0,0,0,0|1,0,0]=3 2919 B7R0.13 O=C(O)C(Cl)(Cl)CCl MCULE-4394770604 [0,2,0,0,0,0|2,0,0]=4 2920 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [0,2,0,0,0,0|2,0,0]=4 2921 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [0,2,0,0,0,0|1,0,0]=3 2922 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [0,2,0,0,0,0|1,0,1]=4 2923 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,2,0,0,0,0|2,0,0]=4 2924 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,2,0,0,0,0|1,0,0]=3 2925 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,2,0,0,0,0|1,0,0]=3 2926 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,2,0,0,0,0|2,0,0]=4 2927 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,2,0,0,0,0|2,0,0]=4 2928 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,2,0,0,0,0|2,0,0]=4 2929 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,2,0,0,0,0|1,0,0]=3 2930 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,2,0,0,0,0|2,0,0]=4 2931 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [0,2,0,0,0,0|2,0,0]=4 2932 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,2,0,0,0,0|1,0,0]=3 2933 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,2,0,0,0,0|1,1,0]=4 2934 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,2,0,0,0,0|1,0,0]=3 2935 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,2,0,0,0,0|1,0,0]=3 2936 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,2,0,0,0,0|1,0,0]=3 2937 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,2,0,0,0,0|1,0,0]=3 2938 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,2,0,0,0,0|1,0,0]=3 2939 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,2,0,0,0,0|2,0,0]=4 2940 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [0,2,0,0,0,0|2,0,0]=4 2941 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,2,0,0,0,0|2,0,0]=4 2942 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,2,0,0,0,0|2,0,0]=4 2943 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,2,0,0,0,0|2,0,0]=4 2944 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,2,0,0,0,0|2,0,0]=4 2945 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,2,0,0,0,0|1,0,0]=3 2946 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,2,0,0,0,0|1,0,0]=3 2947 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,2,0,0,0,0|2,0,0]=4 2948 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,2,0,0,0,0|2,0,0]=4 2949 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,2,0,0,0,0|2,0,0]=4 2950 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,2,0,0,0,0|2,0,0]=4 2951 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,2,0,0,0,0|2,0,0]=4 2952 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,2,0,0,0,0|2,0,0]=4 2953 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,2,0,0,0,0|2,0,0]=4 2954 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,2,0,0,0,0|2,0,0]=4 2955 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,2,0,0,0,0|1,0,0]=3 2956 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [0,2,0,0,0,0|2,0,0]=4 2957 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,2,0,0,0,0|1,0,0]=3 2958 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,2,0,0,0,0|1,0,0]=3 2959 B7R0.15 COC(OC)C(=O)C MCULE-9746788369 [0,2,0,0,0,0|2,0,0]=4 2960 B7R0.15 COC(OC)C(=O)N MCULE-2624682764 [0,2,0,0,0,0|2,0,0]=4 2961 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [0,2,0,0,0,0|1,0,0]=3 2962 B7R0.15 COC(OC)C(=O)[O-] MCULE-5345464135 [0,2,0,0,0,0|1,0,1]=4 2963 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,2,0,0,0,0|1,0,0]=3 2964 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,2,0,0,0,0|1,0,0]=3 2965 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [0,2,0,0,0,0|1,0,0]=3 2966 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,2,0,0,0,0|1,0,0]=3 2967 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,2,0,0,0,0|1,0,0]=3 2968 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,2,0,0,0,0|1,0,0]=3 2969 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,2,0,0,0,0|1,0,0]=3 2970 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,2,0,0,0,0|1,0,0]=3 2971 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [0,2,0,0,0,0|2,0,0]=4 2972 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [0,2,0,0,0,0|2,0,0]=4 2973 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,2,0,0,0,0|1,1,0]=4 2974 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [0,2,0,0,0,0|2,0,0]=4 2975 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [0,2,0,0,0,0|2,0,0]=4 2976 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [0,2,0,0,0,0|2,0,0]=4 2977 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [0,2,0,0,0,0|1,0,0]=3 2978 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [0,2,0,0,0,0|1,1,0]=4 2979 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [0,2,0,0,0,0|2,0,0]=4 2980 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [0,2,0,0,0,0|2,0,0]=4 2981 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [0,2,0,0,0,0|2,0,0]=4 2982 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [0,2,0,0,0,0|2,0,0]=4 2983 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [0,2,0,0,0,0|2,0,0]=4 2984 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [0,2,0,0,0,0|2,0,0]=4 2985 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [0,2,0,0,0,0|1,0,0]=3 2986 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [0,2,0,0,0,0|1,1,0]=4 2987 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [0,2,0,0,0,0|2,0,0]=4 2988 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [0,2,0,0,0,0|2,0,0]=4 2989 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [0,2,0,0,0,0|2,0,0]=4 2990 B7R0.4 CC(=O)NCCON MCULE-3703048482 [0,2,0,0,0,0|1,0,0]=3 2991 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [0,2,0,0,0,0|2,0,0]=4 2992 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [0,2,0,0,0,0|2,0,0]=4 2993 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [0,2,0,0,0,0|2,0,0]=4 2994 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [0,2,0,0,0,0|2,0,0]=4 2995 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [0,2,0,0,0,0|2,0,0]=4 2996 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [0,2,0,0,0,0|2,0,0]=4 2997 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [0,2,0,0,0,0|2,0,0]=4 2998 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [0,2,0,0,0,0|1,0,0]=3 2999 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [0,2,0,0,0,0|1,1,0]=4 3000 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [0,2,0,0,0,0|2,0,0]=4 3001 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [0,2,0,0,0,0|2,0,0]=4 3002 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [0,2,0,0,0,0|1,0,0]=3 3003 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [0,2,0,0,0,0|1,0,0]=3 3004 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [0,2,0,0,0,0|1,0,1]=4 3005 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [0,2,0,0,0,0|1,0,1]=4 3006 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [0,2,0,0,0,0|2,0,0]=4 3007 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [0,2,0,0,0,0|2,0,0]=4 3008 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [0,2,0,0,0,0|1,0,0]=3 3009 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [0,2,0,0,0,0|2,0,0]=4 3010 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [0,2,0,0,0,0|1,1,0]=4 3011 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,2,0,0,0,0|2,0,0]=4 3012 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,2,0,0,0,0|2,0,0]=4 3013 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [0,2,0,0,0,0|1,0,0]=3 3014 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [0,2,0,0,0,0|1,0,0]=3 3015 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [0,2,0,0,0,0|2,0,0]=4 3016 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [0,2,0,0,0,0|2,0,0]=4 3017 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [0,2,0,0,0,0|2,0,0]=4 3018 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [0,2,0,0,0,0|2,0,0]=4 3019 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [0,2,0,0,0,0|1,0,0]=3 3020 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [0,2,0,0,0,0|1,0,0]=3 3021 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [0,2,0,0,0,0|1,0,0]=3 3022 B7R0.4 COCCCC(=O)C MCULE-3606369396 [0,2,0,0,0,0|2,0,0]=4 3023 B7R0.4 COCCCC(=O)O MCULE-3165881573 [0,2,0,0,0,0|1,0,0]=3 3024 B7R0.4 COCCNC(=O)C MCULE-2794263612 [0,2,0,0,0,0|2,0,0]=4 3025 B7R0.4 COCCNC(=O)N MCULE-1380726553 [0,2,0,0,0,0|2,0,0]=4 3026 B7R0.4 COCCOC(=O)C MCULE-3221264060 [0,2,0,0,0,0|2,0,0]=4 3027 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [0,2,0,0,0,0|2,0,0]=4 3028 B7R0.4 COCCOC(=O)N MCULE-3401505850 [0,2,0,0,0,0|2,0,0]=4 3029 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [0,2,0,0,0,0|1,1,0]=4 3030 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [0,2,0,0,0,0|1,1,0]=4 3031 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [0,2,0,0,0,0|1,1,0]=4 3032 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [0,2,0,0,0,0|1,0,1]=4 3033 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [0,2,0,0,0,0|0,1,1]=4 3034 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [0,2,0,0,0,0|1,0,1]=4 3035 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [0,2,0,0,0,0|2,0,0]=4 3036 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,2,0,0,0,0|2,0,0]=4 3037 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,2,0,0,0,0|2,0,0]=4 3038 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,2,0,0,0,0|2,0,0]=4 3039 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,2,0,0,0,0|1,0,0]=3 3040 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,2,0,0,0,0|1,0,0]=3 3041 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,2,0,0,0,0|1,0,0]=3 3042 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,2,0,0,0,0|1,0,0]=3 3043 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,2,0,0,0,0|2,0,0]=4 3044 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,2,0,0,0,0|2,0,0]=4 3045 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [0,2,0,0,0,0|2,0,0]=4 3046 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [0,2,0,0,0,0|1,0,0]=3 3047 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [0,2,0,0,0,0|1,0,0]=3 3048 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [0,2,0,0,0,0|0,0,0]=2 3049 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [0,2,0,0,0,0|0,0,0]=2 3050 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,2,0,0,0,0|0,1,0]=3 3051 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,2,0,0,0,0|0,1,0]=3 3052 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [0,2,0,0,0,0|0,0,0]=2 3053 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [0,2,0,0,0,0|0,0,0]=2 3054 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [0,2,0,0,0,0|2,0,0]=4 3055 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [0,2,0,0,0,0|2,0,0]=4 3056 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [0,2,0,0,0,0|2,0,0]=4 3057 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [0,2,0,0,0,0|2,0,0]=4 3058 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [0,2,0,0,0,0|2,0,0]=4 3059 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [0,2,0,0,0,0|2,0,0]=4 3060 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [0,2,0,0,0,0|2,0,0]=4 3061 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [0,2,0,0,0,0|2,0,0]=4 3062 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [0,2,0,0,0,0|1,0,0]=3 3063 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [0,2,0,0,0,0|1,0,0]=3 3064 B7R0.4 O=C(O)COCCF MCULE-9820799514 [0,2,0,0,0,0|1,0,0]=3 3065 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,2,0,0,0,0|1,0,0]=3 3066 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [0,2,0,0,0,0|1,1,0]=4 3067 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [0,2,0,0,0,0|1,1,0]=4 3068 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [0,2,0,0,0,0|1,0,1]=4 3069 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [0,2,0,0,0,0|2,0,0]=4 3070 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,2,0,0,0,0|2,0,0]=4 3071 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,2,0,0,0,0|2,0,0]=4 3072 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,2,0,0,0,0|2,0,0]=4 3073 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,2,0,0,0,0|2,0,0]=4 3074 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,2,0,0,0,0|2,0,0]=4 3075 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,2,0,0,0,0|2,0,0]=4 3076 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,2,0,0,0,0|2,0,0]=4 3077 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [0,2,0,0,0,0|2,0,0]=4 3078 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [0,2,0,0,0,0|2,0,0]=4 3079 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,2,0,0,0,0|2,0,0]=4 3080 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,2,0,0,0,0|2,0,0]=4 3081 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,2,0,0,0,0|2,0,0]=4 3082 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,2,0,0,0,0|2,0,0]=4 3083 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,2,0,0,0,0|2,0,0]=4 3084 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,2,0,0,0,0|1,0,0]=3 3085 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,2,0,0,0,0|2,0,0]=4 3086 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,2,0,0,0,0|1,1,0]=4 3087 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,2,0,0,0,0|2,0,0]=4 3088 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,2,0,0,0,0|2,0,0]=4 3089 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,2,0,0,0,0|2,0,0]=4 3090 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,2,0,0,0,0|2,0,0]=4 3091 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [0,2,0,0,0,0|2,0,0]=4 3092 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,2,0,0,0,0|1,0,0]=3 3093 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,2,0,0,0,0|1,1,0]=4 3094 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,2,0,0,0,0|1,0,0]=3 3095 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,2,0,0,0,0|1,0,0]=3 3096 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,2,0,0,0,0|2,0,0]=4 3097 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,2,0,0,0,0|2,0,0]=4 3098 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,2,0,0,0,0|1,0,0]=3 3099 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,2,0,0,0,0|1,0,0]=3 3100 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,2,0,0,0,0|1,1,0]=4 3101 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,2,0,0,0,0|1,0,0]=3 3102 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,2,0,0,0,0|1,0,0]=3 3103 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,2,0,0,0,0|1,0,0]=3 3104 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,2,0,0,0,0|1,0,0]=3 3105 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,2,0,0,0,0|2,0,0]=4 3106 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,2,0,0,0,0|1,0,0]=3 3107 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,2,0,0,0,0|1,0,0]=3 3108 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,2,0,0,0,0|1,1,0]=4 3109 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,2,0,0,0,0|1,1,0]=4 3110 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,2,0,0,0,0|1,0,0]=3 3111 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,2,0,0,0,0|1,0,0]=3 3112 B7R0.6 N=C(N)SCC(=O)N MCULE-5295318661 [0,2,0,0,0,0|1,1,0]=4 3113 B7R0.6 N=C(N)SCC(=O)N MCULE-9179434239 [0,2,0,0,0,0|1,1,0]=4 3114 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,2,0,0,0,0|0,1,0]=3 3115 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,2,0,0,0,0|0,1,0]=3 3116 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,2,0,0,0,0|1,0,1]=4 3117 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,2,0,0,0,0|1,0,1]=4 3118 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,2,0,0,0,0|1,0,1]=4 3119 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,2,0,0,0,0|2,0,0]=4 3120 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,2,0,0,0,0|1,0,0]=3 3121 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [0,2,0,0,0,0|2,0,0]=4 3122 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,2,0,0,0,0|1,0,0]=3 3123 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,2,0,0,0,0|0,1,0]=3 3124 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,2,0,0,0,0|1,0,0]=3 3125 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,2,0,0,0,0|2,0,0]=4 3126 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,2,0,0,0,0|2,0,0]=4 3127 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,2,0,0,0,0|2,0,0]=4 3128 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,2,0,0,0,0|2,0,0]=4 3129 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,2,0,0,0,0|1,0,1]=4 3130 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,2,0,0,0,0|1,0,0]=3 3131 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,2,0,0,0,0|1,1,0]=4 3132 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,2,0,0,0,0|2,0,0]=4 3133 B7R0.8 CNCCS(=O)(=O)O MCULE-4217252594 [0,2,0,0,0,0|2,0,0]=4 3134 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [0,2,0,0,0,0|2,0,0]=4 3135 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [0,2,0,0,0,0|2,0,0]=4 3136 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [0,2,0,0,0,0|2,0,0]=4 3137 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [0,2,0,0,0,0|2,0,0]=4 3138 B7R0.8 NCCOP(=O)(O)O MCULE-8775715246 [0,2,0,0,0,0|2,0,0]=4 3139 B7R0.8 NCCOS(=O)(=O)O MCULE-1813036738 [0,2,0,0,0,0|2,0,0]=4 3140 B7R0.8 NCCSS(=O)(=O)O MCULE-7796847391 [0,2,0,0,0,0|2,0,0]=4 3141 B5R1.2 C=C1CNC1 MCULE-1391021267 [1,0,0,1,0,0|2,0,0]=4 3142 B5R1.2 C=C1CNC1 MCULE-7957953185 [1,0,0,1,0,0|2,0,0]=4 3143 B5R1.2 C=C1COC1 MCULE-1822645869 [1,0,0,1,0,0|2,0,0]=4 3144 B5R1.2 O=C1CCC1 MCULE-4870967355 [1,0,0,1,0,0|2,0,0]=4 3145 B5R1.2 O=C1CCN1 MCULE-9053067221 [1,0,0,1,0,0|2,0,0]=4 3146 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,1,0,0|1,0,0]=3 3147 B5R1.2 O=C1CNC1 MCULE-5171659870 [1,0,0,1,0,0|1,0,0]=3 3148 B5R1.2 O=C1CNC1 MCULE-8293494956 [1,0,0,1,0,0|1,0,0]=3 3149 B5R1.2 O=C1COC1 MCULE-6847248632 [1,0,0,1,0,0|1,0,0]=3 3150 B5R1.2 O=C1CSC1 MCULE-4436071261 [1,0,0,1,0,0|1,1,0]=4 3151 B5R1.2 OC1CNC1 MCULE-3596383447 [1,0,0,1,0,0|1,0,1]=4 3152 B5R1.2 OC1CNC1 MCULE-7913518128 [1,0,0,1,0,0|1,0,1]=4 3153 B5R1.2 OC1COC1 MCULE-2630355859 [1,0,0,1,0,0|1,0,1]=4 3154 B5R1.3 OCC1CO1 MCULE-2158628585 [1,0,0,1,0,0|1,0,1]=4 3155 B5R1.3 OCC1CO1 MCULE-4063620133 [1,0,0,1,0,0|1,0,1]=4 3156 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [1,0,0,1,0,0|1,0,1]=4 3157 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [1,0,0,1,0,0|1,0,1]=4 3158 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [1,0,0,1,0,0|1,0,1]=4 3159 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [1,0,0,1,0,0|1,0,1]=4 3160 B5R1.4 NC1CC1O MCULE-2677451452 [1,0,0,1,0,0|1,0,1]=4 3161 B5R1.4 NC1CC1O MCULE-2909581707 [1,0,0,1,0,0|1,0,1]=4 3162 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [1,0,0,1,0,0|1,0,1]=4 3163 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [1,0,0,1,0,0|1,0,1]=4 3164 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [1,0,0,1,0,0|1,0,1]=4 3165 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [1,0,0,1,0,0|1,0,1]=4 3166 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [1,0,0,1,0,0|1,0,1]=4 3167 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [1,0,0,1,0,0|1,0,1]=4 3168 B5R1.1 C1=CCOC1 MCULE-1252378718 [1,0,0,1,0,0|2,0,0]=4 3169 B5R1.1 C1=NNCC1 MCULE-2270087414 [1,0,0,1,0,0|2,0,0]=4 3170 B5R1.1 C1CNOC1 MCULE-3922840312 [1,0,0,1,0,0|1,0,1]=4 3171 B5R1.1 C1CNOC1 MCULE-6084499894 [1,0,0,1,0,0|1,0,1]=4 3172 B5R1.1 C1COCO1 MCULE-3967810235 [1,0,0,1,0,0|1,0,1]=4 3173 B7R1.1 COC1CNOC1 MCULE-1407072401 [0,1,0,1,0,0|1,0,1]=4 3174 B7R1.1 COC1CNOC1 MCULE-3670243548 [0,1,0,1,0,0|1,0,1]=4 3175 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,1,0,1,0,0|2,0,0]=4 3176 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,1,0,1,0,0|2,0,0]=4 3177 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,1,0,1,0,0|2,0,0]=4 3178 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,1,0,1,0,0|2,0,0]=4 3179 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,1,0,1,0,0|2,0,0]=4 3180 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,1,0,1,0,0|2,0,0]=4 3181 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,1,0,1,0,0|1,0,1]=4 3182 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,1,0,1,0,0|1,0,1]=4 3183 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,1,0,1,0,0|2,0,0]=4 3184 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,1,0,1,0,0|2,0,0]=4 3185 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,1,0,1,0,0|2,0,0]=4 3186 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,1,0,1,0,0|2,0,0]=4 3187 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,1,0,1,0,0|2,0,0]=4 3188 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,1,0,1,0,0|2,0,0]=4 3189 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,1,0,1,0,0|2,0,0]=4 3190 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,1,0,1,0,0|2,0,0]=4 3191 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,1,0,1,0,0|2,0,0]=4 3192 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,1,0,1,0,0|2,0,0]=4 3193 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,1,0,1,0,0|2,0,0]=4 3194 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,1,0,1,0,0|2,0,0]=4 3195 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,1,0,1,0,0|2,0,0]=4 3196 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,1,0,1,0,0|2,0,0]=4 3197 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,1,0,1,0,0|2,0,0]=4 3198 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,1,0,1,0,0|2,0,0]=4 3199 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,1,0,1,0,0|2,0,0]=4 3200 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,1,0,1,0,0|2,0,0]=4 3201 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,1,0,1,0,0|2,0,0]=4 3202 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,1,0,1,0,0|2,0,0]=4 3203 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,1,0,1,0,0|2,0,0]=4 3204 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,1,0,1,0,0|2,0,0]=4 3205 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,1,0,1,0,0|2,0,0]=4 3206 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,1,0,1,0,0|2,0,0]=4 3207 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,1,0,1,0,0|2,0,0]=4 3208 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,1,0,1,0,0|2,0,0]=4 3209 B7R1.2 NC1=CC(=NO1)O MCULE-4713053247 [0,1,0,1,0,0|2,0,0]=4 3210 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,1,0,1,0,0|2,0,0]=4 3211 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,1,0,1,0,0|1,1,0]=4 3212 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,1,0,1,0,0|1,0,0]=3 3213 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,1,0,1,0,0|1,1,0]=4 3214 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,1,0,1,0,0|1,1,0]=4 3215 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,1,0,1,0,0|2,0,0]=4 3216 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,1,0,1,0,0|2,0,0]=4 3217 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,1,0,1,0,0|1,1,0]=4 3218 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [0,1,0,1,0,0|2,0,0]=4 3219 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,1,0,1,0,0|2,0,0]=4 3220 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,1,0,1,0,0|2,0,0]=4 3221 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,1,0,1,0,0|2,0,0]=4 3222 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,1,0,1,0,0|2,0,0]=4 3223 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,1,0,1,0,0|2,0,0]=4 3224 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,1,0,1,0,0|2,0,0]=4 3225 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,1,0,1,0,0|2,0,0]=4 3226 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,1,0,1,0,0|2,0,0]=4 3227 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,1,0,1,0,0|1,0,0]=3 3228 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,1,0,1,0,0|1,0,0]=3 3229 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,1,0,1,0,0|1,0,0]=3 3230 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,1,0,1,0,0|1,0,0]=3 3231 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [0,1,0,1,0,0|1,1,0]=4 3232 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,1,0,1,0,0|2,0,0]=4 3233 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,1,0,1,0,0|2,0,0]=4 3234 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,1,0,1,0,0|2,0,0]=4 3235 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,1,0,1,0,0|2,0,0]=4 3236 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,1,0,1,0,0|1,0,0]=3 3237 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,1,0,1,0,0|1,0,0]=3 3238 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,1,0,1,0,0|1,0,0]=3 3239 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,1,0,1,0,0|1,0,0]=3 3240 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,1,0,1,0,0|2,0,0]=4 3241 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,1,0,1,0,0|2,0,0]=4 3242 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,1,0,1,0,0|2,0,0]=4 3243 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,1,0,1,0,0|2,0,0]=4 3244 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,1,0,1,0,0|2,0,0]=4 3245 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,1,0,1,0,0|2,0,0]=4 3246 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,1,0,1,0,0|1,0,0]=3 3247 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,1,0,1,0,0|1,0,0]=3 3248 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,1,0,1,0,0|1,0,0]=3 3249 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,1,0,1,0,0|1,0,0]=3 3250 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,1,0,1,0,0|2,0,0]=4 3251 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,1,0,1,0,0|2,0,0]=4 3252 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [0,1,0,1,0,0|2,0,0]=4 3253 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,1,0,1,0,0|2,0,0]=4 3254 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,1,0,1,0,0|2,0,0]=4 3255 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,1,0,1,0,0|2,0,0]=4 3256 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,1,0,1,0,0|2,0,0]=4 3257 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,1,0,1,0,0|2,0,0]=4 3258 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,1,0,1,0,0|2,0,0]=4 3259 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,1,0,1,0,0|2,0,0]=4 3260 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,1,0,1,0,0|2,0,0]=4 3261 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,1,0,1,0,0|2,0,0]=4 3262 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,1,0,1,0,0|2,0,0]=4 3263 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,1,0,1,0,0|2,0,0]=4 3264 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,1,0,1,0,0|2,0,0]=4 3265 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,1,0,1,0,0|2,0,0]=4 3266 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,1,0,1,0,0|2,0,0]=4 3267 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,1,0,1,0,0|2,0,0]=4 3268 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,1,0,1,0,0|2,0,0]=4 3269 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,1,0,1,0,0|2,0,0]=4 3270 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [0,1,0,1,0,0|2,0,0]=4 3271 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [0,1,0,1,0,0|2,0,0]=4 3272 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [0,1,0,1,0,0|2,0,0]=4 3273 B7R1.3 O=C1CC=COC1 MCULE-3434064170 [0,1,0,1,0,0|2,0,0]=4 3274 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [0,1,0,1,0,0|2,0,0]=4 3275 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [0,1,0,1,0,0|2,0,0]=4 3276 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [0,1,0,1,0,0|2,0,0]=4 3277 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [0,1,0,1,0,0|2,0,0]=4 3278 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [0,1,0,1,0,0|2,0,0]=4 3279 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [0,1,0,1,0,0|2,0,0]=4 3280 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [0,1,0,1,0,0|2,0,0]=4 3281 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [0,1,0,1,0,0|2,0,0]=4 3282 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [0,1,0,1,0,0|2,0,0]=4 3283 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,1,0,1,0,0|2,0,0]=4 3284 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,1,0,1,0,0|2,0,0]=4 3285 B7R1.3 O=C1COCCN1 MCULE-8242898041 [0,1,0,1,0,0|2,0,0]=4 3286 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,1,0,1,0,0|1,0,0]=3 3287 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,1,0,1,0,0|2,0,0]=4 3288 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [0,1,0,1,0,0|2,0,0]=4 3289 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [0,1,0,1,0,0|2,0,0]=4 3290 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,1,0,1,0,0|2,0,0]=4 3291 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,1,0,1,0,0|2,0,0]=4 3292 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,1,0,1,0,0|2,0,0]=4 3293 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,1,0,1,0,0|2,0,0]=4 3294 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,1,0,1,0,0|2,0,0]=4 3295 B7R1.4 CC1NCCC1=O MCULE-4206844406 [0,1,0,1,0,0|2,0,0]=4 3296 B7R1.4 CC1NCCC1=O MCULE-7025918222 [0,1,0,1,0,0|2,0,0]=4 3297 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,1,0,1,0,0|2,0,0]=4 3298 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,1,0,0|2,0,0]=4 3299 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,1,0,0|2,0,0]=4 3300 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,1,0,0|2,0,0]=4 3301 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,1,0,0|2,0,0]=4 3302 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,1,0,0|2,0,0]=4 3303 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,1,0,0|2,0,0]=4 3304 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,1,0,1,0,0|1,0,1]=4 3305 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,1,0,1,0,0|1,0,1]=4 3306 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,1,0,0|2,0,0]=4 3307 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,1,0,0|2,0,0]=4 3308 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,1,0,0|2,0,0]=4 3309 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,1,0,0|2,0,0]=4 3310 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,1,0,1,0,0|1,0,1]=4 3311 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,1,0,1,0,0|1,0,1]=4 3312 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,1,0,0|2,0,0]=4 3313 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,1,0,0|2,0,0]=4 3314 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,1,0,0|2,0,0]=4 3315 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,1,0,0|2,0,0]=4 3316 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,1,0,0|2,0,0]=4 3317 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,1,0,1,0,0|1,0,1]=4 3318 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,1,0,1,0,0|1,0,1]=4 3319 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,1,0,0|2,0,0]=4 3320 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,1,0,1,0,0|2,0,0]=4 3321 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,1,0,1,0,0|1,0,1]=4 3322 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,1,0,1,0,0|1,0,1]=4 3323 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,1,0,1,0,0|1,0,1]=4 3324 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,1,0,1,0,0|1,0,1]=4 3325 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,1,0,1,0,0|1,0,1]=4 3326 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,1,0,1,0,0|1,0,1]=4 3327 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,1,0,1,0,0|1,0,1]=4 3328 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,1,0,1,0,0|2,0,0]=4 3329 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,1,0,0|2,0,0]=4 3330 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,1,0,1,0,0|2,0,0]=4 3331 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,1,0,0|2,0,0]=4 3332 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,1,0,0|2,0,0]=4 3333 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,1,0,0|2,0,0]=4 3334 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,1,0,0|2,0,0]=4 3335 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,1,0,1,0,0|2,0,0]=4 3336 B7R1.8 COC1CCC1=O MCULE-6511996246 [0,1,0,1,0,0|2,0,0]=4 3337 B7R1.10 COC1CC(=O)C1 MCULE-3488458490 [0,1,0,1,0,0|2,0,0]=4 3338 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [0,1,0,1,0,0|2,0,0]=4 3339 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [0,1,0,1,0,0|2,0,0]=4 3340 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [0,1,0,1,0,0|2,0,0]=4 3341 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [0,1,0,1,0,0|2,0,0]=4 3342 B7R1.22 C1(CO1)C(=O)OC MCULE-1350193594 [0,1,0,1,0,0|1,0,0]=3 3343 B7R1.22 COC(=O)C1CC1 MCULE-3338113454 [0,1,0,1,0,0|2,0,0]=4 3344 B7R1.22 COC(=O)C1CN1 MCULE-2166427972 [0,1,0,1,0,0|1,0,0]=3 3345 B7R1.22 COC(=O)C1CO1 MCULE-1745412030 [0,1,0,1,0,0|1,0,0]=3 3346 B7R1.22 COC(=O)[C@@H]1CN1 MCULE-1955059175 [0,1,0,1,0,0|1,0,0]=3 3347 B7R1.22 COC(=O)[C@@H]1CN1 MCULE-5011635876 [0,1,0,1,0,0|1,0,0]=3 3348 B7R1.22 COC(=O)[C@@H]1CO1 MCULE-2259836812 [0,1,0,1,0,0|1,0,0]=3 3349 B7R1.22 COC(=O)[C@H]1CN1 MCULE-5882979938 [0,1,0,1,0,0|1,0,0]=3 3350 B7R1.22 COC(=O)[C@H]1CN1 MCULE-8601280412 [0,1,0,1,0,0|1,0,0]=3 3351 B7R1.22 COC(=O)[C@H]1CO1 MCULE-5568309714 [0,1,0,1,0,0|1,0,0]=3 3352 B7R1.22 COC(=O)[C@H]1CO1 MCULE-9432053348 [0,1,0,1,0,0|1,0,0]=3 3353 B7R1.22 O=C(CO)C1CC1 MCULE-4276266642 [0,1,0,1,0,0|2,0,0]=4 3354 B7R1.22 O=C(NO)C1CC1 MCULE-2299815322 [0,1,0,1,0,0|2,0,0]=4 3355 B7R1.22 [C@H]1(CO1)C(=O)OC MCULE-2114123664 [0,1,0,1,0,0|1,0,0]=3 3356 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,1,0,1,0,0|2,0,0]=4 3357 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,1,0,1,0,0|2,0,0]=4 3358 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,1,0,1,0,0|2,0,0]=4 3359 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,1,0,1,0,0|2,0,0]=4 3360 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,1,0,1,0,0|2,0,0]=4 3361 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,1,0,1,0,0|2,0,0]=4 3362 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,1,0,1,0,0|2,0,0]=4 3363 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,1,0,1,0,0|2,0,0]=4 3364 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,1,0,1,0,0|2,0,0]=4 3365 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,1,0,1,0,0|2,0,0]=4 3366 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,1,0,1,0,0|2,0,0]=4 3367 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,1,0,1,0,0|2,0,0]=4 3368 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,1,0,1,0,0|2,0,0]=4 3369 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,1,0,1,0,0|2,0,0]=4 3370 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,1,0,1,0,0|2,0,0]=4 3371 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,1,0,1,0,0|2,0,0]=4 3372 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,1,0,1,0,0|2,0,0]=4 3373 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,1,0,1,0,0|2,0,0]=4 3374 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,1,0,1,0,0|2,0,0]=4 3375 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,1,0,1,0,0|2,0,0]=4 3376 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,1,0,1,0,0|2,0,0]=4 3377 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,1,0,1,0,0|2,0,0]=4 3378 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,1,0,1,0,0|2,0,0]=4 3379 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,1,0,1,0,0|2,0,0]=4 3380 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,1,0,1,0,0|2,0,0]=4 3381 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,1,0,1,0,0|2,0,0]=4 3382 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,1,0,1,0,0|2,0,0]=4 3383 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,1,0,1,0,0|2,0,0]=4 3384 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,1,0,1,0,0|2,0,0]=4 3385 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,1,0,1,0,0|2,0,0]=4 3386 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,1,0,1,0,0|2,0,0]=4 3387 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,1,0,1,0,0|2,0,0]=4 3388 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,1,0,1,0,0|2,0,0]=4 3389 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,1,0,1,0,0|2,0,0]=4 3390 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,1,0,1,0,0|2,0,0]=4 3391 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,1,0,1,0,0|2,0,0]=4 3392 B7R1.16 CC1(CC(=O)C1)N MCULE-1739432720 [0,1,0,1,0,0|2,0,0]=4 3393 B7R1.16 CC1(CC(=O)C1)N MCULE-2529462721 [0,1,0,1,0,0|2,0,0]=4 3394 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,1,0,1,0,0|2,0,0]=4 3395 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,1,0,1,0,0|2,0,0]=4 3396 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,1,0,1,0,0|1,0,0]=3 3397 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,1,0,1,0,0|1,0,0]=3 3398 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,1,0,1,0,0|1,0,0]=3 3399 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [0,1,0,1,0,0|2,0,0]=4 3400 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [0,1,0,1,0,0|2,0,0]=4 3401 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [0,1,0,1,0,0|2,0,0]=4 3402 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [0,1,0,1,0,0|2,0,0]=4 3403 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,1,0,1,0,0|2,0,0]=4 3404 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,1,0,1,0,0|2,0,0]=4 3405 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,1,0,1,0,0|2,0,0]=4 3406 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,1,0,1,0,0|2,0,0]=4 3407 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,1,0,1,0,0|2,0,0]=4 3408 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,1,0,1,0,0|2,0,0]=4 3409 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,1,0,1,0,0|2,0,0]=4 3410 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,1,0,1,0,0|2,0,0]=4 3411 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,1,0,1,0,0|2,0,0]=4 3412 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,1,0,1,0,0|1,0,0]=3 3413 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,1,0,1,0,0|1,0,0]=3 3414 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,1,0,1,0,0|1,0,0]=3 3415 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,1,0,1,0,0|1,0,0]=3 3416 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,1,0,1,0,0|1,0,0]=3 3417 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,1,0,1,0,0|1,0,0]=3 3418 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,1,0,1,0,0|1,0,0]=3 3419 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,1,0,1,0,0|1,0,0]=3 3420 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,1,0,1,0,0|1,1,0]=4 3421 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,1,0,1,0,0|1,0,0]=3 3422 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,1,0,1,0,0|1,0,0]=3 3423 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,1,0,1,0,0|1,0,0]=3 3424 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,1,0,1,0,0|1,0,0]=3 3425 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,1,0,1,0,0|1,0,0]=3 3426 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,1,0,1,0,0|1,0,0]=3 3427 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,1,0,1,0,0|1,0,0]=3 3428 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,1,0,1,0,0|1,0,0]=3 3429 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,1,0,1,0,0|1,0,0]=3 3430 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,1,0,1,0,0|1,0,0]=3 3431 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,1,0,1,0,0|1,0,0]=3 3432 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,1,0,1,0,0|1,0,0]=3 3433 B7R1.19 CC(=O)C1(CO1)C MCULE-3263824467 [0,1,0,1,0,0|2,0,0]=4 3434 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,1,0,1,0,0|2,0,0]=4 3435 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,1,0,1,0,0|1,0,0]=3 3436 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,1,0,1,0,0|2,0,0]=4 3437 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,1,0,1,0,0|2,0,0]=4 3438 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,1,0,1,0,0|2,0,0]=4 3439 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,1,0,1,0,0|2,0,0]=4 3440 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,1,0,1,0,0|2,0,0]=4 3441 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,1,0,1,0,0|2,0,0]=4 3442 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,1,0,1,0,0|2,0,0]=4 3443 B7R1.14 C[C@@]1(CNOC1)O MCULE-2135476163 [0,1,0,1,0,0|1,0,1]=4 3444 B7R1.14 C[C@@]1(CNOC1)O MCULE-2596956621 [0,1,0,1,0,0|1,0,1]=4 3445 B7R1.14 C[C@@]1(CNOC1)O MCULE-6080745149 [0,1,0,1,0,0|1,0,1]=4 3446 B7R1.14 C[C@@]1(CNOC1)O MCULE-7091595110 [0,1,0,1,0,0|1,0,1]=4 3447 B7R1.14 C[C@]1(CNOC1)O MCULE-1405004782 [0,1,0,1,0,0|1,0,1]=4 3448 B7R1.14 C[C@]1(CNOC1)O MCULE-4558122242 [0,1,0,1,0,0|1,0,1]=4