0 B12R1.43 C=C(CN1CCCCC1)C(=O)O MCULE-4086003668 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.43 C=C(CN1CCOCC1)C(=O)O MCULE-2720405682 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.43 CC(=O)C(C)CN1CCCCC1 MCULE-2176063333 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.43 CC(=O)N(C)CC1CCCCN1 MCULE-6000099480 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.43 CC(=O)N(C)CC1CCCNC1 MCULE-3350605427 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.43 CC(=O)N(C)CC1CCCNC1 MCULE-9438878816 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.43 CC(=O)N(C)CC1CCNCC1 MCULE-1296753220 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.43 CC(C)C(N)CN1CCCCC1 MCULE-7812740569 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.43 CC(CC1CCCCC1)C(=O)O MCULE-5593770209 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.43 CC(CC1CCCCN1)C(=O)O MCULE-2755004024 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.43 CC(CC1CCCCN1)C(=O)O MCULE-7476245238 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.43 CC(CC1CCCNC1)C(=O)O MCULE-3014272377 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.43 CC(CC1CCCNC1)C(=O)O MCULE-5164954255 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.43 CC(CC1CCNCC1)C(=O)O MCULE-1413560351 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.43 CC(CC1CCNCC1)C(=O)O MCULE-4131542201 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.43 CC(CC1CCOCC1)C(=O)O MCULE-8701973693 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.43 CC(CN1CCCCC1)C(=O)O MCULE-1034953096 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.43 CC(CN1CCCCC1)C(=O)O MCULE-2445155741 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.43 CC(CN1CCOCC1)C(=O)O MCULE-5931804753 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.43 CC(C[NH+]1CCOCC1)C(=O)O MCULE-4377838448 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.43 CC(NC1CCCCC1)C(=O)O MCULE-2337671318 [0,0,0,0,0,0|2,0,0]=2 21 B12R1.43 CC(OC1CCCCC1)C(=O)O MCULE-3390289519 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.43 C[C@H](CC1CCCCC1)C(=O)O MCULE-1498161955 [0,0,0,0,0,0|1,0,0]=1 23 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O MCULE-7949492561 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O MCULE-8747258792 [0,0,0,0,0,0|2,0,0]=2 25 B12R1.43 NC(=O)C(=O)NC1CCCCC1 MCULE-2516335776 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.43 NC(=O)C(N)CN1CCOCC1 MCULE-3052749386 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 MCULE-2925655826 [0,0,0,0,0,0|1,0,0]=1 28 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 MCULE-7996338421 [0,0,0,0,0,0|1,0,0]=1 29 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 MCULE-8243136061 [0,0,0,0,0,0|1,0,0]=1 30 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 MCULE-8981874598 [0,0,0,0,0,0|1,0,0]=1 31 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-4231962732 [0,0,0,0,0,0|0,0,0]=0 32 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-5441238803 [0,0,0,0,0,0|0,0,0]=0 33 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-5559107138 [0,0,0,0,0,0|0,0,0]=0 34 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-9351196605 [0,0,0,0,0,0|0,0,0]=0 35 B12R1.43 NC(CC1CCOCC1)C(=O)O MCULE-3782499699 [0,0,0,0,0,0|1,0,0]=1 36 B12R1.43 NC(CC1CCOCC1)C(=O)O MCULE-8813787947 [0,0,0,0,0,0|1,0,0]=1 37 B12R1.43 NC(CN1CCNCC1)C(=O)O MCULE-6112445045 [0,0,0,0,0,0|2,0,0]=2 38 B12R1.43 NC(CN1CCNCC1)C(=O)O MCULE-9896812285 [0,0,0,0,0,0|2,0,0]=2 39 B12R1.43 NC(CN1CCOCC1)C(=O)O MCULE-2006139914 [0,0,0,0,0,0|2,0,0]=2 40 B12R1.43 NC(CN1CCOCC1)C(=O)O MCULE-9043079943 [0,0,0,0,0,0|2,0,0]=2 41 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-1782298917 [0,0,0,0,0,0|0,0,0]=0 42 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-1829182577 [0,0,0,0,0,0|0,0,0]=0 43 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-2645618623 [0,0,0,0,0,0|0,0,0]=0 44 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-8551085565 [0,0,0,0,0,0|0,0,0]=0 45 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O MCULE-1647906724 [0,0,0,0,0,0|1,0,0]=1 46 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O MCULE-3558141373 [0,0,0,0,0,0|1,0,0]=1 47 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O MCULE-9537249167 [0,0,0,0,0,0|1,0,0]=1 48 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O MCULE-9665106160 [0,0,0,0,0,0|1,0,0]=1 49 B12R1.43 N[C@@H](CN1CCNCC1)C(=O)O MCULE-1402393212 [0,0,0,0,0,0|2,0,0]=2 50 B12R1.43 N[C@@H](CN1CCNCC1)C(=O)O MCULE-5238707864 [0,0,0,0,0,0|2,0,0]=2 51 B12R1.43 N[C@@H](CN1CCNCC1)C(=O)O MCULE-7943048524 [0,0,0,0,0,0|2,0,0]=2 52 B12R1.43 N[C@@H](CN1CCNCC1)C(=O)O MCULE-9411844365 [0,0,0,0,0,0|2,0,0]=2 53 B12R1.43 N[C@@H](CN1CCOCC1)C(=O)O MCULE-5887663442 [0,0,0,0,0,0|2,0,0]=2 54 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-3421636940 [0,0,0,0,0,0|0,0,0]=0 55 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-4892184412 [0,0,0,0,0,0|0,0,0]=0 56 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-5098090144 [0,0,0,0,0,0|0,0,0]=0 57 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-8153309063 [0,0,0,0,0,0|0,0,0]=0 58 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O MCULE-1997730867 [0,0,0,0,0,0|1,0,0]=1 59 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O MCULE-2898762909 [0,0,0,0,0,0|1,0,0]=1 60 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O MCULE-4075867386 [0,0,0,0,0,0|1,0,0]=1 61 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O MCULE-6776158188 [0,0,0,0,0,0|1,0,0]=1 62 B12R1.43 N[C@H](CN1CCOCC1)C(=O)O MCULE-4790134437 [0,0,0,0,0,0|2,0,0]=2 63 B12R1.43 O=C(O)C(=CC1CCCCC1)F MCULE-2588722385 [0,0,0,0,0,0|1,0,2]=3 64 B12R1.43 O=C(O)C(=O)CC1CCCCC1 MCULE-2990391321 [0,0,0,0,0,0|1,0,1]=2 65 B12R1.43 O=C(O)C(=O)NC1CCCCC1 MCULE-9213832688 [0,0,0,0,0,0|2,0,1]=3 66 B12R1.43 O=C(O)C(F)CC1CCCCC1 MCULE-7464253405 [0,0,0,0,0,0|1,0,0]=1 67 B12R1.43 O=C(O)C(O)CC1CCCCC1 MCULE-9641279057 [0,0,0,0,0,0|1,0,0]=1 68 B12R1.43 O=C(O)C(O)CC1CCOCC1 MCULE-6691815074 [0,0,0,0,0,0|2,0,0]=2 69 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 MCULE-2560030099 [0,0,0,0,0,0|1,0,0]=1 70 B12R1.43 O=C(O)[C@H](O)CC1CCCCC1 MCULE-1111579897 [0,0,0,0,0,0|1,0,0]=1 71 B12R1.43 O=C(O)[C@H](O)CC1CCCCC1 MCULE-1257034455 [0,0,0,0,0,0|1,0,0]=1 72 B11R1.40 C=CC(O)CC1CCOCC1 MCULE-2978231355 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.40 CC(C=O)CC1CCCCC1 MCULE-6301464995 [1,0,0,0,0,0|1,0,0]=2 74 B11R1.40 CC(C=O)CC1CCOCC1 MCULE-6964561454 [1,0,0,0,0,0|2,0,0]=3 75 B11R1.40 CC(CO)CC1CCCCC1 MCULE-5710897696 [1,0,0,0,0,0|1,0,1]=3 76 B11R1.40 CC(CO)CC1CCNCC1 MCULE-7484862437 [1,0,0,0,0,0|2,0,1]=4 77 B11R1.40 CC(CO)CC1CCOCC1 MCULE-4998013729 [1,0,0,0,0,0|2,0,1]=4 78 B11R1.40 CC(CO)CN1CCCCC1 MCULE-3743748086 [1,0,0,0,0,0|2,0,1]=4 79 B11R1.40 CCC(N)CN1CCCCC1 MCULE-3344689905 [1,0,0,0,0,0|2,0,1]=4 80 B11R1.40 CNC(C)CC1CCCCC1 MCULE-2385886171 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.40 CNC(C)CC1CCCCC1 MCULE-5738899676 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.40 CNC(C)CC1CCCCC1 MCULE-7865947392 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.40 N/C(=N/O)/CN1CCCCC1 MCULE-6688929543 [1,0,0,0,0,0|2,0,1]=4 84 B11R1.40 NC(CO)CC1CCCCC1 MCULE-8374243800 [1,0,0,0,0,0|0,0,1]=2 85 B11R1.40 NC(CO)CC1CCOCC1 MCULE-5607116203 [1,0,0,0,0,0|1,0,1]=3 86 B11R1.40 NC(CO)CN1CCCCC1 MCULE-1973513857 [1,0,0,0,0,0|1,0,1]=3 87 B11R1.40 NC(CO)CN1CCCCC1 MCULE-9613799240 [1,0,0,0,0,0|1,0,1]=3 88 B11R1.40 NC(CO)CN1CCOCC1 MCULE-2044997045 [1,0,0,0,0,0|2,0,1]=4 89 B11R1.40 NC(CO)CN1CCOCC1 MCULE-8287427942 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.40 N[C@@H](CO)CC1CCCCC1 MCULE-4544384276 [1,0,0,0,0,0|0,0,1]=2 91 B11R1.40 N[C@@H](CO)CC1CCCCC1 MCULE-6032597145 [1,0,0,0,0,0|0,0,1]=2 92 B11R1.40 N[C@H](CO)CC1CCCCC1 MCULE-1723145852 [1,0,0,0,0,0|0,0,1]=2 93 B11R1.40 N[C@H](CO)CC1CCCCC1 MCULE-5455203223 [1,0,0,0,0,0|0,0,1]=2 94 B11R1.40 N[C@H](CO)CC1CCCCC1 MCULE-6610942551 [1,0,0,0,0,0|0,0,1]=2 95 B11R1.40 N[C@H](CO)CC1CCCCC1 MCULE-9072100331 [1,0,0,0,0,0|0,0,1]=2 96 B11R1.40 O/N=C(\Cl)/CC1CCCCC1 MCULE-8496105670 [1,0,0,0,0,0|2,0,1]=4 97 B11R1.40 OCC(O)CN1CCCCC1 MCULE-6175373474 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.40 [NH3+]C(CO)CC1CCCCC1 MCULE-8144051276 [1,0,0,0,0,0|0,0,2]=3 99 B11R1.91 C=C(Br)CNC1CCCCC1 MCULE-4193740039 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.91 C=C(Br)CNC1CCCCC1 MCULE-8122447871 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.91 CC(=O)CCC1CCCCC1 MCULE-1125647515 [1,0,0,0,0,0|1,0,0]=2 102 B11R1.91 CC(=O)CCN1CCCCC1 MCULE-4455809617 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.91 CC(=O)CCN1CCCCC1 MCULE-7961876637 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.91 CC(=O)CCN1CCNCC1 MCULE-2822686097 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.91 CC(=O)CCN1CCNCC1 MCULE-4333462634 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.91 CC(=O)CCN1CCOCC1 MCULE-7551262567 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.91 CC(=O)NCC1CCCCN1 MCULE-3105845304 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.91 CC(=O)NCC1CCCCN1 MCULE-9646759433 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.91 CC(=O)NCC1CCCNC1 MCULE-2486103137 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.91 CC(=O)NCC1CCNCC1 MCULE-1534192859 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.91 CC(=O)NCC1CCNCC1 MCULE-3811620113 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.91 CC(=O)NCC1CCNCC1 MCULE-4719188960 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.91 CC(=O)OCC1CCCCC1 MCULE-4442955915 [1,0,0,0,0,0|2,0,0]=3 114 B11R1.91 CC(=O)OCC1CCCCO1 MCULE-2769100863 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.91 CC(=O)OCC1CCCNC1 MCULE-3753425352 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.91 CC(=O)OCC1CCCNC1 MCULE-8547366652 [1,0,0,0,0,0|3,0,0]=4 117 B11R1.91 CC(=O)OCC1CCNCC1 MCULE-2805518931 [1,0,0,0,0,0|3,0,0]=4 118 B11R1.91 CC(=O)OCC1CCNCC1 MCULE-5312831696 [1,0,0,0,0,0|3,0,0]=4 119 B11R1.91 CC(N)CCC1CCCCC1 MCULE-1575737383 [1,0,0,0,0,0|2,0,1]=4 120 B11R1.91 CC(O)CCC1CCCCC1 MCULE-3809271591 [1,0,0,0,0,0|1,0,1]=3 121 B11R1.91 CC(O)CNC1CCCCC1 MCULE-3346298684 [1,0,0,0,0,0|2,0,1]=4 122 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-4187671201 [1,0,0,0,0,0|3,0,0]=4 123 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-6812707919 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-8802863643 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.91 N=C(N)NCC1CCCCC1 MCULE-5333495230 [1,0,0,0,0,0|3,0,0]=4 126 B11R1.91 N=C(N)NCC1CCCCC1 MCULE-6218164374 [1,0,0,0,0,0|3,0,0]=4 127 B11R1.91 N=C(N)SCC1CCCCC1 MCULE-3283728567 [1,0,0,0,0,0|3,0,0]=4 128 B11R1.91 N=C(N)SCC1CCCCC1 MCULE-5965577672 [1,0,0,0,0,0|3,0,0]=4 129 B11R1.91 NC(=O)CCC1CCCCC1 MCULE-7177254920 [1,0,0,0,0,0|1,0,0]=2 130 B11R1.91 NC(=O)CCC1CCCNC1 MCULE-2731987615 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.91 NC(=O)CCC1CCCNC1 MCULE-3357409507 [1,0,0,0,0,0|2,0,0]=3 132 B11R1.91 NC(=O)CCC1CCNCC1 MCULE-2541342686 [1,0,0,0,0,0|2,0,0]=3 133 B11R1.91 NC(=O)CCC1CCNCC1 MCULE-7868367948 [1,0,0,0,0,0|2,0,0]=3 134 B11R1.91 NC(=O)CCN1CCNCC1 MCULE-4237492785 [1,0,0,0,0,0|3,0,0]=4 135 B11R1.91 NC(=O)CCN1CCNCC1 MCULE-5604364402 [1,0,0,0,0,0|3,0,0]=4 136 B11R1.91 NC(=O)CCN1CCNCC1 MCULE-5899238397 [1,0,0,0,0,0|3,0,0]=4 137 B11R1.91 NC(=O)CCN1CCOCC1 MCULE-3358887716 [1,0,0,0,0,0|3,0,0]=4 138 B11R1.91 NC(=O)CNC1CCOCC1 MCULE-5022669900 [1,0,0,0,0,0|3,0,0]=4 139 B11R1.91 NC(=O)CNC1CCOCC1 MCULE-8465760828 [1,0,0,0,0,0|3,0,0]=4 140 B11R1.91 NC(=O)COC1CCCCC1 MCULE-3634561714 [1,0,0,0,0,0|2,0,0]=3 141 B11R1.91 NC(=O)COC1CCNCC1 MCULE-1994833226 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.91 NC(=O)COC1CCNCC1 MCULE-7267285811 [1,0,0,0,0,0|3,0,0]=4 143 B11R1.91 NC(=O)CSC1CCCCC1 MCULE-9968891969 [1,0,0,0,0,0|2,0,0]=3 144 B11R1.91 NC(=O)NCC1CCCCC1 MCULE-8898827465 [1,0,0,0,0,0|2,0,0]=3 145 B11R1.91 NC(=O)NCC1CCCCN1 MCULE-4059522603 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.91 NC(=O)NCC1CCCCN1 MCULE-8786655844 [1,0,0,0,0,0|3,0,0]=4 147 B11R1.91 NC(=O)NCC1CCCNC1 MCULE-6134280325 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.91 NC(=S)CCN1CCCCC1 MCULE-2768225485 [1,0,0,0,0,0|2,1,0]=4 149 B11R1.91 NC(=S)NCC1CCCCC1 MCULE-6421127685 [1,0,0,0,0,0|2,1,0]=4 150 B11R1.91 O=C(Cl)CCC1CCCCC1 MCULE-7905035887 [1,0,0,0,0,0|1,0,0]=2 151 B11R1.91 O=C(Cl)OCC1CCCCC1 MCULE-5198631423 [1,0,0,0,0,0|2,0,0]=3 152 B11R1.91 O=C(Cl)OCC1CCOCC1 MCULE-6985131043 [1,0,0,0,0,0|3,0,0]=4 153 B11R1.91 O=C(O)/C=C/C1CCCCC1 MCULE-3408838682 [1,0,0,0,0,0|0,0,2]=3 154 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O=C(O)CCC1CCCCN1 MCULE-9799515880 [1,0,0,0,0,0|1,0,0]=2 169 B11R1.91 O=C(O)CCC1CCCCO1 MCULE-7131400209 [1,0,0,0,0,0|1,0,0]=2 170 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-7924528861 [1,0,0,0,0,0|1,0,0]=2 171 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-8138582183 [1,0,0,0,0,0|1,0,0]=2 172 B11R1.91 O=C(O)CCC1CCCOC1 MCULE-2925847386 [1,0,0,0,0,0|1,0,0]=2 173 B11R1.91 O=C(O)CCC1CCNCC1 MCULE-2827451677 [1,0,0,0,0,0|1,0,0]=2 174 B11R1.91 O=C(O)CCC1CCNCC1 MCULE-4045148324 [1,0,0,0,0,0|1,0,0]=2 175 B11R1.91 O=C(O)CCC1CCOCC1 MCULE-6529848078 [1,0,0,0,0,0|1,0,0]=2 176 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-1513049995 [1,0,0,0,0,0|2,0,0]=3 177 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-4856628745 [1,0,0,0,0,0|2,0,0]=3 178 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-8947965996 [1,0,0,0,0,0|2,0,0]=3 179 B11R1.91 O=C(O)CCC1CNCCO1 MCULE-4290804660 [1,0,0,0,0,0|2,0,0]=3 180 B11R1.91 O=C(O)CCC1CNCCO1 MCULE-8003417383 [1,0,0,0,0,0|2,0,0]=3 181 B11R1.91 O=C(O)CCC1COCCN1 MCULE-2173241934 [1,0,0,0,0,0|2,0,0]=3 182 B11R1.91 O=C(O)CCC1COCCN1 MCULE-4800776369 [1,0,0,0,0,0|2,0,0]=3 183 B11R1.91 O=C(O)CCC1COCCO1 MCULE-8260042590 [1,0,0,0,0,0|2,0,0]=3 184 B11R1.91 O=C(O)CCC1OCCCO1 MCULE-5410285503 [1,0,0,0,0,0|2,0,0]=3 185 B11R1.91 O=C(O)CCN1CCCCC1 MCULE-4134014685 [1,0,0,0,0,0|1,0,0]=2 186 B11R1.91 O=C(O)CCN1CCCCC1 MCULE-8800912377 [1,0,0,0,0,0|1,0,0]=2 187 B11R1.91 O=C(O)CCN1CCCCO1 MCULE-2996089701 [1,0,0,0,0,0|2,0,0]=3 188 B11R1.91 O=C(O)CCN1CCCCO1 MCULE-3766668240 [1,0,0,0,0,0|2,0,0]=3 189 B11R1.91 O=C(O)CCN1CCNCC1 MCULE-2278927702 [1,0,0,0,0,0|2,0,0]=3 190 B11R1.91 O=C(O)CCN1CCNCC1 MCULE-7245019533 [1,0,0,0,0,0|2,0,0]=3 191 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-1023466735 [1,0,0,0,0,0|2,0,0]=3 192 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-7724278716 [1,0,0,0,0,0|2,0,0]=3 193 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-8465184362 [1,0,0,0,0,0|2,0,0]=3 194 B11R1.91 O=C(O)CCN1CCSCC1 MCULE-5978659919 [1,0,0,0,0,0|2,0,0]=3 195 B11R1.91 O=C(O)CCN1CCSCC1 MCULE-8911727730 [1,0,0,0,0,0|2,0,0]=3 196 B11R1.91 O=C(O)CC[C@@H]1CNCCO1 MCULE-1561801705 [1,0,0,0,0,0|2,0,0]=3 197 B11R1.91 O=C(O)CC[C@@H]1CNCCO1 MCULE-1829190625 [1,0,0,0,0,0|2,0,0]=3 198 B11R1.91 O=C(O)CC[C@H]1CNCCO1 MCULE-4904929048 [1,0,0,0,0,0|2,0,0]=3 199 B11R1.91 O=C(O)CC[C@H]1CNCCO1 MCULE-9655711335 [1,0,0,0,0,0|2,0,0]=3 200 B11R1.91 O=C(O)CNC1=NCCCC1 MCULE-3814369220 [1,0,0,0,0,0|2,0,1]=4 201 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-5220210342 [1,0,0,0,0,0|1,0,0]=2 202 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-9313520636 [1,0,0,0,0,0|1,0,0]=2 203 B11R1.91 O=C(O)CNC1CCOCC1 MCULE-7657301692 [1,0,0,0,0,0|2,0,0]=3 204 B11R1.91 O=C(O)COC1CCCCC1 MCULE-9015047559 [1,0,0,0,0,0|1,0,0]=2 205 B11R1.91 O=C(O)COC1CCCOC1 MCULE-6982251312 [1,0,0,0,0,0|2,0,0]=3 206 B11R1.91 O=C(O)COC1CCNCC1 MCULE-8120083070 [1,0,0,0,0,0|2,0,0]=3 207 B11R1.91 O=C(O)COC1CCNCC1 MCULE-9462178764 [1,0,0,0,0,0|2,0,0]=3 208 B11R1.91 O=C(O)COC1CCOCC1 MCULE-2803382098 [1,0,0,0,0,0|2,0,0]=3 209 B11R1.91 O=C(O)CSC1CCCCC1 MCULE-2242180425 [1,0,0,0,0,0|1,0,0]=2 210 B11R1.91 O=C(O)CSC1CCCCO1 MCULE-8580492168 [1,0,0,0,0,0|2,0,0]=3 211 B11R1.91 O=C([O-])CCN1CCOCC1 MCULE-7377834147 [1,0,0,0,0,0|2,0,1]=4 212 B11R1.91 O=N(=O)CCC1CCCCC1 MCULE-2759348903 [1,0,0,0,0,0|1,0,1]=3 213 B11R1.91 O=N(=O)CCC1CCOCC1 MCULE-7297881653 [1,0,0,0,0,0|2,0,1]=4 214 B11R1.91 OB(O)CCC1CCCCC1 MCULE-6802710012 [1,0,0,0,0,0|1,0,1]=3 215 B13R1.133 CC(=CC1CCC(CC1)C)C(=O)O MCULE-8524946986 [0,1,0,0,0,0|1,0,2]=4 216 B13R1.133 CC(CN1CCN(CC1)C)C(=O)O MCULE-5451586830 [0,1,0,0,0,0|3,0,0]=4 217 B13R1.133 CC1CCC(CC1)OC(C)C(=O)O MCULE-2286067381 [0,1,0,0,0,0|2,0,0]=3 218 B13R1.133 CC1CCN(CC1)CC(C)C(=O)O MCULE-1042735017 [0,1,0,0,0,0|2,0,0]=3 219 B13R1.133 CN1CCC(CC1)CC(N)C(=O)O MCULE-6233494177 [0,1,0,0,0,0|1,0,0]=2 220 B13R1.133 N[C@H](CC1CCC(CC1)O)C(=O)O MCULE-1941355829 [0,1,0,0,0,0|0,0,0]=1 221 B13R1.135 CC(CN1CCCCC1)C(=O)NN MCULE-1014898784 [0,1,0,0,0,0|3,0,0]=4 222 B13R1.135 CN(CC1CCCCC1)C(=O)CCl MCULE-3443820113 [0,1,0,0,0,0|3,0,0]=4 223 B13R1.135 CNC(=O)C(N)CC1CCCCC1 MCULE-1015191603 [0,1,0,0,0,0|1,0,0]=2 224 B13R1.135 CNC(=O)[C@@H](N)CC1CCCCC1 MCULE-9384093250 [0,1,0,0,0,0|1,0,0]=2 225 B13R1.135 COC(=O)C(C)CC1CCCNC1 MCULE-6274443137 [0,1,0,0,0,0|2,0,0]=3 226 B13R1.135 COC(=O)C(C)CC1CCOCC1 MCULE-2510030716 [0,1,0,0,0,0|2,0,0]=3 227 B13R1.135 COC(=O)C(C)CC1COCCO1 MCULE-3967722040 [0,1,0,0,0,0|3,0,0]=4 228 B13R1.135 COC(=O)C(C)CN1CCCCC1 MCULE-1913814222 [0,1,0,0,0,0|2,0,0]=3 229 B13R1.135 COC(=O)C(C)CN1CCOCC1 MCULE-3281086586 [0,1,0,0,0,0|3,0,0]=4 230 B13R1.135 COC(=O)C(N)CC1CCCCC1 MCULE-2510942472 [0,1,0,0,0,0|0,0,0]=1 231 B13R1.135 COC(=O)C(N)CC1CCCCC1 MCULE-4033613776 [0,1,0,0,0,0|0,0,0]=1 232 B13R1.135 COC(=O)C(N)CC1CCCCC1 MCULE-8516612163 [0,1,0,0,0,0|0,0,0]=1 233 B13R1.135 COC(=O)C(N)CC1CCCOC1 MCULE-6738102519 [0,1,0,0,0,0|1,0,0]=2 234 B13R1.135 COC(=O)C(N)CC1CCCOC1 MCULE-8865715003 [0,1,0,0,0,0|1,0,0]=2 235 B13R1.135 COC(=O)C(N)CC1CCOCC1 MCULE-5337041188 [0,1,0,0,0,0|1,0,0]=2 236 B13R1.135 COC(=O)C(N)CC1CCOCC1 MCULE-9819422304 [0,1,0,0,0,0|1,0,0]=2 237 B13R1.135 COC(=O)C(N)CN1CCCCC1 MCULE-3688923805 [0,1,0,0,0,0|1,0,0]=2 238 B13R1.135 COC(=O)C(N)CN1CCCCC1 MCULE-4875514103 [0,1,0,0,0,0|1,0,0]=2 239 B13R1.135 COC(=O)C(N)CN1CCOCC1 MCULE-2783402421 [0,1,0,0,0,0|2,0,0]=3 240 B13R1.135 COC(=O)C(N)CN1CCOCC1 MCULE-5458536504 [0,1,0,0,0,0|2,0,0]=3 241 B13R1.135 COC(=O)C(O)CC1CCCCC1 MCULE-5392320369 [0,1,0,0,0,0|1,0,0]=2 242 B13R1.135 COC(=O)C([NH3+])CC1CCCCC1 MCULE-7882303427 [0,1,0,0,0,0|0,0,1]=2 243 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-4477542346 [0,1,0,0,0,0|0,0,0]=1 244 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-7319974393 [0,1,0,0,0,0|0,0,0]=1 245 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-8414305169 [0,1,0,0,0,0|0,0,0]=1 246 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-8597194587 [0,1,0,0,0,0|0,0,0]=1 247 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-1785615651 [0,1,0,0,0,0|0,0,0]=1 248 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-2749145426 [0,1,0,0,0,0|0,0,0]=1 249 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-5156588254 [0,1,0,0,0,0|0,0,0]=1 250 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-8167140931 [0,1,0,0,0,0|0,0,0]=1 251 B13R1.135 [C@@H](C)(NC1CCCCC1)C(=O)OC MCULE-4598545139 [0,1,0,0,0,0|2,0,0]=3 252 B13R1.135 [C@@H](C)(NC1CCCCC1)C(=O)OC MCULE-7965867722 [0,1,0,0,0,0|2,0,0]=3 253 B13R1.148 CC1CCCC(C1)OC(C)C(=O)O MCULE-4198678617 [0,1,0,0,0,0|2,0,0]=3 254 B13R1.148 CC1CCCN(C1)CC(C)C(=O)O MCULE-1899805189 [0,1,0,0,0,0|2,0,0]=3 255 B13R1.152 CC(C(=O)O)N(C)C1CCCCC1 MCULE-1045666581 [0,1,0,0,0,0|2,0,0]=3 256 B13R1.202 CC(CN1CCCCC1C)C(=O)O MCULE-1081042616 [0,1,0,0,0,0|2,0,0]=3 257 B13R1.202 CC(CN1CCCCC1C)C(=O)O MCULE-6361210183 [0,1,0,0,0,0|2,0,0]=3 258 B13R1.353 CC(C)(C)C(N)CC1CCCCC1 MCULE-2751329290 [0,1,0,0,0,0|2,0,1]=4 259 B13R1.353 N[C@@H](CC1CCCCC1)C(F)(F)F MCULE-9232129676 [0,1,0,0,0,0|2,0,1]=4 260 B13R1.353 N[C@H](CC1CCCCC1)C(F)(F)F MCULE-8591570447 [0,1,0,0,0,0|2,0,1]=4 261 B13R1.353 O=S(=O)(O)C(O)CC1CCCCC1 MCULE-9710704026 [0,1,0,0,0,0|2,0,0]=3 262 B13R1.353 O=S(=O)([O-])C(O)CC1CCCCC1 MCULE-3772830396 [0,1,0,0,0,0|2,0,1]=4 263 B13R1.418 CCC(CC1CCCCC1)C(=O)O MCULE-1014366537 [0,1,0,0,0,0|1,0,0]=2 264 B13R1.418 CCC(CC1CCOCC1)C(=O)O MCULE-3149796913 [0,1,0,0,0,0|2,0,0]=3 265 B13R1.418 CCC(OC1CCCCC1)C(=O)O MCULE-5506653500 [0,1,0,0,0,0|2,0,0]=3 266 B13R1.418 COC(CN1CCNCC1)C(=O)O MCULE-4632296697 [0,1,0,0,0,0|3,0,0]=4 267 B13R1.418 N#C/C(=C\C1CCCCC1)/C(=O)O MCULE-2795217567 [0,1,0,0,0,0|0,0,3]=4 268 B13R1.418 N#CC(=CC1CCCCC1)C(=O)O MCULE-2411453362 [0,1,0,0,0,0|0,0,3]=4 269 B13R1.418 N#CC(CC1CCCCC1)C(=O)O MCULE-4457810826 [0,1,0,0,0,0|0,0,1]=2 270 B13R1.1073 CC(C)(CC1CCCCC1)C(=O)O MCULE-4431628884 [0,1,0,0,0,0|1,0,0]=2 271 B13R1.1073 CC(C)(CC1CCCNC1)C(=O)N MCULE-9506741399 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.1073 CC(C)(CC1CCOCC1)C(=O)O MCULE-2632743760 [0,1,0,0,0,0|2,0,0]=3 273 B13R1.1073 CC(C)(CN1CCOCC1)C(=O)O MCULE-6453166417 [0,1,0,0,0,0|3,0,0]=4 274 B13R1.1073 CC(C)(CN1CCOCC1)C(=O)O MCULE-8702484754 [0,1,0,0,0,0|3,0,0]=4 275 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)O MCULE-5707751048 [0,1,0,0,0,0|2,0,0]=3 276 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-1162188913 [0,0,1,0,0,0|0,0,2]=3 277 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-3131667346 [0,0,1,0,0,0|0,0,2]=3 278 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-4888632865 [0,0,1,0,0,0|0,0,2]=3 279 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5391769158 [0,0,1,0,0,0|0,0,2]=3 280 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5861402789 [0,0,1,0,0,0|0,0,2]=3 281 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8081984411 [0,0,1,0,0,0|0,0,2]=3 282 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8137198974 [0,0,1,0,0,0|0,0,2]=3 283 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-1233544353 [0,0,1,0,0,0|0,0,2]=3 284 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-3790089576 [0,0,1,0,0,0|0,0,2]=3 285 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-8748986273 [0,0,1,0,0,0|0,0,2]=3 286 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-9105977293 [0,0,1,0,0,0|0,0,2]=3 287 B11R0.42 CCCCCCCC(C)C(=O)C MCULE-1764436007 [0,0,1,0,0,0|2,0,0]=3 288 B11R0.42 CCCCCCCC(C)C(=O)O MCULE-1400601550 [0,0,1,0,0,0|1,0,0]=2 289 B11R0.42 CCCCCCCC(N)C(=O)O MCULE-4518631723 [0,0,1,0,0,0|0,0,0]=1 290 B11R0.42 CCCCCCC[C@@H](N)C(=O)O MCULE-7367412741 [0,0,1,0,0,0|0,0,0]=1 291 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4025079053 [0,0,1,0,0,0|0,0,0]=1 292 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4061410149 [0,0,1,0,0,0|0,0,0]=1 293 B11R0.42 CCCCCCOC(C)C(=O)O MCULE-5771954047 [0,0,1,0,0,0|2,0,0]=3 294 B11R0.42 CCCCSCCC(N)C(=O)O MCULE-9943276345 [0,0,1,0,0,0|1,0,0]=2 295 B11R0.42 CCCCSCC[C@@H](N)C(=O)O MCULE-5947369888 [0,0,1,0,0,0|1,0,0]=2 296 B11R0.42 CCCCSCC[C@H](N)C(=O)O MCULE-6636715475 [0,0,1,0,0,0|1,0,0]=2 297 B11R0.42 CCOCCNCC(C)C(=O)O MCULE-1411337428 [0,0,1,0,0,0|3,0,0]=4 298 B11R0.42 CCOCCNCC(C)C(=O)O MCULE-9110675077 [0,0,1,0,0,0|3,0,0]=4 299 B11R0.42 NC(CCCCNC=O)C(=O)O MCULE-1951015462 [0,0,1,0,0,0|2,0,1]=4 300 B11R0.42 N[C@@H](CCCCN=[N+]=[N-])C(=O)O MCULE-1235238069 [0,0,1,0,0,0|3,0,0]=4 301 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4391601903 [0,0,1,0,0,0|2,0,1]=4 302 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O MCULE-4927440935 [0,0,1,0,0,0|2,0,1]=4 303 B11R0.42 [N-]=[N+]=NCCCC[C@@H](N)C(=O)O MCULE-4439689174 [0,0,1,0,0,0|3,0,0]=4 304 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-2268932366 [0,0,1,0,0,0|3,0,0]=4 305 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-5050271888 [0,0,1,0,0,0|3,0,0]=4 306 B11R0.42 [N-]=[N+]=NCCCC[C@H](N)C(=O)O MCULE-5569498677 [0,0,1,0,0,0|3,0,0]=4 307 B13R2.369 O=C1CC2CCCCC2CC1Br MCULE-1955855679 [0,0,0,1,0,0|2,0,0]=3 308 B13R2.369 O=C1NC2CCCCC2CC1Cl MCULE-7045142671 [0,0,0,1,0,0|2,0,0]=3 309 B13R2.369 O[C@H]1CC2CCCCC2C[C@H]1Br MCULE-9894243413 [0,0,0,1,0,0|2,0,1]=4 310 B13R2.423 NC(=O)C1CC1C2CCCCC2 MCULE-9934089691 [0,0,0,1,0,0|2,0,0]=3 311 B13R2.423 NC(=O)C1CC1C2CCNCC2 MCULE-4045432698 [0,0,0,1,0,0|3,0,0]=4 312 B13R2.423 NC(=O)C1CC1C2CCOCC2 MCULE-2242722776 [0,0,0,1,0,0|3,0,0]=4 313 B13R2.423 O=C(O)C1CC1C2CCCCC2 MCULE-5173796359 [0,0,0,1,0,0|1,0,0]=2 314 B13R2.423 O=C(O)C1CC1C2CCOCC2 MCULE-6102482063 [0,0,0,1,0,0|2,0,0]=3 315 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2CCOCC2 MCULE-9221698682 [0,0,0,1,0,0|2,0,0]=3 316 B13R2.423 OB(O)[C@H]1C[C@@H]1C2CCCCC2 MCULE-1201644347 [0,0,0,1,0,0|2,0,1]=4 317 B13R2.433 O=C(O)C1CC2CCCC(C1)N2 MCULE-2333839816 [0,0,0,1,0,0|2,0,0]=3 318 B13R2.433 O=C(O)C1CC2CCCC(C2)C1 MCULE-4436507458 [0,0,0,1,0,0|1,0,0]=2 319 B13R2.433 [C@H]12CCC[C@H](C1)NC(C2)C(=O)O MCULE-9676524244 [0,0,0,1,0,0|0,0,0]=1 320 B13R2.435 NC(=O)C1CC2CCCCC2N1 MCULE-8530155593 [0,0,0,1,0,0|1,0,0]=2 321 B13R2.435 O=C(Cl)N1C[C@H]2CCCC[C@H]2C1 MCULE-2530618262 [0,0,0,1,0,0|3,0,0]=4 322 B13R2.435 O=C(O)C1CC2CCCCC2C1 MCULE-6091123641 [0,0,0,1,0,0|1,0,0]=2 323 B13R2.435 O=C(O)C1CC2CCCCC2N1 MCULE-6802061208 [0,0,0,1,0,0|0,0,0]=1 324 B13R2.435 O=C(O)C1CC2CCCCC2N1 MCULE-7004970623 [0,0,0,1,0,0|0,0,0]=1 325 B13R2.435 O=C(O)C1CC2CCCCN2C1 MCULE-4918778870 [0,0,0,1,0,0|2,0,0]=3 326 B13R2.435 O=C(O)C1CC2CCCCN2C1 MCULE-9726686116 [0,0,0,1,0,0|2,0,0]=3 327 B13R2.435 O=C(O)C1C[C@@H]2CCCC[C@@H]2N1 MCULE-3462068965 [0,0,0,1,0,0|0,0,0]=1 328 B13R2.435 O=C(O)[C@@H]1CC2CCCCC2N1 MCULE-4459302110 [0,0,0,1,0,0|0,0,0]=1 329 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-9624120898 [0,0,0,1,0,0|0,0,0]=1 330 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-9787261604 [0,0,0,1,0,0|0,0,0]=1 331 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1 MCULE-3742864202 [0,0,0,1,0,0|0,0,0]=1 332 B13R2.435 O=C(O)[C@H]1CC2CCCCC2N1 MCULE-8545435992 [0,0,0,1,0,0|0,0,0]=1 333 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-7693154244 [0,0,0,1,0,0|0,0,0]=1 334 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-9357986014 [0,0,0,1,0,0|0,0,0]=1 335 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@H]2N1 MCULE-2451554101 [0,0,0,1,0,0|0,0,0]=1 336 B13R2.435 O=C(O)[C@H]1C[C@H]2CCCC[C@H]2N1 MCULE-3470631244 [0,0,0,1,0,0|0,0,0]=1 337 B13R2.435 [C@@H]12CCCC[C@@H]1NC(C2)C(=O)O MCULE-6709645789 [0,0,0,1,0,0|0,0,0]=1 338 B13R2.435 [C@@H]12CCCC[C@@H]1NC(C2)C(=O)O MCULE-9456550686 [0,0,0,1,0,0|0,0,0]=1 339 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@@H](C2)C(=O)O MCULE-1804340526 [0,0,0,1,0,0|0,0,0]=1 340 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@@H](C2)C(=O)O MCULE-8883332709 [0,0,0,1,0,0|0,0,0]=1 341 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@H](C2)C(=O)O MCULE-1232021530 [0,0,0,1,0,0|0,0,0]=1 342 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@H](C2)C(=O)O MCULE-5852129906 [0,0,0,1,0,0|0,0,0]=1 343 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@H](C2)C(=O)O MCULE-9583363610 [0,0,0,1,0,0|0,0,0]=1 344 B13R2.435 [C@@H]12CCCC[C@H]1N[C@@H](C2)C(=O)O MCULE-5210507429 [0,0,0,1,0,0|0,0,0]=1 345 B13R2.435 [C@H]12CCCC[C@@H]1C[C@@H](N2)C(=O)O MCULE-4005791171 [0,0,0,1,0,0|0,0,0]=1 346 B13R2.435 [C@H]12CCCC[C@@H]1C[C@H](N2)C(=O)O MCULE-2146432887 [0,0,0,1,0,0|0,0,0]=1 347 B13R2.435 [C@H]12CCCC[C@@H]1C[C@H](N2)C(=O)O MCULE-6796005707 [0,0,0,1,0,0|0,0,0]=1 348 B13R2.435 [C@H]12CCCC[C@@H]1C[C@H](N2)C(=O)O MCULE-6834732208 [0,0,0,1,0,0|0,0,0]=1 349 B13R2.435 [C@H]12CCCC[C@H]1N[C@@H](C2)C(=O)O MCULE-6455346553 [0,0,0,1,0,0|0,0,0]=1 350 B13R2.435 [C@H]12CCCC[C@H]1N[C@@H](C2)C(=O)O MCULE-9853479694 [0,0,0,1,0,0|0,0,0]=1 351 B13R2.435 [C@H]12CCCC[C@H]1N[C@H](C2)C(=O)O MCULE-5438862774 [0,0,0,1,0,0|0,0,0]=1 352 B13R2.435 [C@H]12CCCC[C@H]1N[C@H](C2)C(=O)O MCULE-8630293837 [0,0,0,1,0,0|0,0,0]=1 353 B13R2.12720 C=C1CC2(CCCCC2)OC1=O MCULE-3603081400 [0,0,0,1,0,0|1,0,1]=3 354 B13R2.12720 CC1SC2(CCCCC2)NC1=O MCULE-4627146476 [0,0,0,1,0,0|3,0,0]=4 355 B13R2.12720 CN1CC2(CCCNC2)OC1=O MCULE-2205730546 [0,0,0,1,0,0|3,0,0]=4 356 B13R2.12720 CN1CC2(CCCNC2)OC1=O MCULE-8624346835 [0,0,0,1,0,0|3,0,0]=4 357 B13R2.12720 CN1CC2(CCNCC2)OC1=O MCULE-2922649053 [0,0,0,1,0,0|3,0,0]=4 358 B13R2.12720 CN1CC2(CCNCC2)OC1=O MCULE-4980431301 [0,0,0,1,0,0|3,0,0]=4 359 B13R2.13740 NC(=O)C1(CN2CCC1CC2)N MCULE-5143793989 [0,0,0,1,0,0|2,0,0]=3 360 B13R2.13740 NC1(CN2CCC1CC2)C(=O)O MCULE-8553413334 [0,0,0,1,0,0|1,0,0]=2 361 B13R2.13968 O=C(O)C1CC2(C1)CCCCC2 MCULE-3163376531 [0,0,0,1,0,0|1,0,0]=2 362 B13R2.13968 O=C(O)C1CC2(C1)CCNCC2 MCULE-4364979030 [0,0,0,1,0,0|2,0,0]=3 363 B13R2.13968 O=C(O)C1CC2(C1)CCNCC2 MCULE-5695543706 [0,0,0,1,0,0|2,0,0]=3 364 B13R2.13968 O=C(O)C1CC2(C1)CCNCC2 MCULE-6831841862 [0,0,0,1,0,0|2,0,0]=3 365 B13R2.13968 O=C(O)C1CC2(C1)CCOCC2 MCULE-4350057824 [0,0,0,1,0,0|2,0,0]=3 366 B11R1.35 C/C(=C\C1CCCC1)/C(=O)O MCULE-8915202396 [0,0,0,0,1,0|1,0,2]=4 367 B11R1.35 C=C(CN1CCCC1)C(=O)O MCULE-3009941113 [0,0,0,0,1,0|2,0,1]=4 368 B11R1.35 CC(=CC1CCCC1)C(=O)O MCULE-5246992086 [0,0,0,0,1,0|1,0,2]=4 369 B11R1.35 CC(CC1CCCC1)C(=O)O MCULE-4740416028 [0,0,0,0,1,0|1,0,0]=2 370 B11R1.35 CC(CC1CCCO1)C(=O)O MCULE-7589073159 [0,0,0,0,1,0|2,0,0]=3 371 B11R1.35 CC(CN1CCCC1)C(=O)O MCULE-4567347321 [0,0,0,0,1,0|2,0,0]=3 372 B11R1.35 CC(CN1CCCC1)C(=O)O MCULE-5119784094 [0,0,0,0,1,0|2,0,0]=3 373 B11R1.35 CC(OC1CCCC1)C(=O)O MCULE-1939663211 [0,0,0,0,1,0|2,0,0]=3 374 B11R1.35 CC(SC1CCCC1)C(=O)O MCULE-8601302391 [0,0,0,0,1,0|2,0,0]=3 375 B11R1.35 C[C@H](NC1CCCC1)C(=O)O MCULE-2121383669 [0,0,0,0,1,0|2,0,0]=3 376 B11R1.35 NC(CC1=CCCC1)C(=O)O MCULE-1666440268 [0,0,0,0,1,0|0,0,2]=3 377 B11R1.35 NC(CC1CCCC1)C(=O)O MCULE-2541402745 [0,0,0,0,1,0|0,0,0]=1 378 B11R1.35 NC(CC1CCCC1)C(=O)O MCULE-3851918025 [0,0,0,0,1,0|0,0,0]=1 379 B11R1.35 NC(CC1CCCO1)C(=O)O MCULE-3710409199 [0,0,0,0,1,0|1,0,0]=2 380 B11R1.35 NC(CC1CCNC1)C(=O)O MCULE-9242342673 [0,0,0,0,1,0|1,0,0]=2 381 B11R1.35 NC(CC1CCOC1)C(=O)O MCULE-2796794328 [0,0,0,0,1,0|1,0,0]=2 382 B11R1.35 NC(CC1CCOC1)C(=O)O MCULE-3511340633 [0,0,0,0,1,0|1,0,0]=2 383 B11R1.35 N[C@@H](CC1=CCCC1)C(=O)O MCULE-1528714518 [0,0,0,0,1,0|0,0,2]=3 384 B11R1.35 N[C@@H](CC1=CCCC1)C(=O)O MCULE-5537876142 [0,0,0,0,1,0|0,0,2]=3 385 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O MCULE-1482788952 [0,0,0,0,1,0|0,0,0]=1 386 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O MCULE-8118301255 [0,0,0,0,1,0|0,0,0]=1 387 B11R1.35 N[C@@H](CC1CCNC1)C(=O)O MCULE-9017826833 [0,0,0,0,1,0|1,0,0]=2 388 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-5950406860 [0,0,0,0,1,0|1,0,0]=2 389 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-6688710534 [0,0,0,0,1,0|1,0,0]=2 390 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-7951834658 [0,0,0,0,1,0|1,0,0]=2 391 B11R1.35 N[C@H](CC1CCCC1)C(=O)O MCULE-2021631405 [0,0,0,0,1,0|0,0,0]=1 392 B11R1.35 N[C@H](CC1CCCC1)C(=O)O MCULE-6544324630 [0,0,0,0,1,0|0,0,0]=1 393 B11R1.35 N[C@H](CC1CCNC1)C(=O)O MCULE-1596977678 [0,0,0,0,1,0|1,0,0]=2 394 B11R1.35 N[C@H](CC1CCOC1)C(=O)O MCULE-1362869168 [0,0,0,0,1,0|1,0,0]=2 395 B11R1.35 O=C(O)C(=O)NC1CCCC1 MCULE-8386452730 [0,0,0,0,1,0|2,0,1]=4 396 B11R1.35 O=C(O)C(F)CC1CCCC1 MCULE-9273579138 [0,0,0,0,1,0|1,0,0]=2 397 B11R1.36 CC(=C1CCCCC1)C(=O)O MCULE-5916603018 [0,0,0,0,1,0|1,0,2]=4 398 B11R1.36 CC(=O)C(C)C1CCCCC1 MCULE-9060961966 [0,0,0,0,1,0|2,0,0]=3 399 B11R1.36 CC(C(=O)O)C1CCCCC1 MCULE-7073762782 [0,0,0,0,1,0|1,0,0]=2 400 B11R1.36 CC(C(=O)O)C1CCNCC1 MCULE-1056232308 [0,0,0,0,1,0|2,0,0]=3 401 B11R1.36 CC(C(=O)O)C1CCNCC1 MCULE-9936644185 [0,0,0,0,1,0|2,0,0]=3 402 B11R1.36 CC(C(=O)O)C1CCOCC1 MCULE-2495920353 [0,0,0,0,1,0|2,0,0]=3 403 B11R1.36 CC(C(=O)O)N1CCCCC1 MCULE-8781256011 [0,0,0,0,1,0|2,0,0]=3 404 B11R1.36 CC(C(=O)O)N1CCCCC1 MCULE-9082142746 [0,0,0,0,1,0|2,0,0]=3 405 B11R1.36 CC(C(=O)O)N1CCNCC1 MCULE-6010830962 [0,0,0,0,1,0|3,0,0]=4 406 B11R1.36 CC(C(=O)O)N1CCNCC1 MCULE-8464051315 [0,0,0,0,1,0|3,0,0]=4 407 B11R1.36 CC(C(=O)O)N1CCOCC1 MCULE-1520669906 [0,0,0,0,1,0|3,0,0]=4 408 B11R1.36 CC(C(=O)O)N1CCOCC1 MCULE-7353526707 [0,0,0,0,1,0|3,0,0]=4 409 B11R1.36 CC(C(=O)O)N1CCSCC1 MCULE-2059812396 [0,0,0,0,1,0|3,0,0]=4 410 B11R1.36 CN(C(=O)Cl)C1CCCCC1 MCULE-2444398289 [0,0,0,0,1,0|3,0,0]=4 411 B11R1.36 C[C@@H](C(=O)O)C1CCCCC1 MCULE-1380670662 [0,0,0,0,1,0|1,0,0]=2 412 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-4192983391 [0,0,0,0,1,0|3,0,0]=4 413 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-7822882349 [0,0,0,0,1,0|3,0,0]=4 414 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-9325871598 [0,0,0,0,1,0|3,0,0]=4 415 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-9501602403 [0,0,0,0,1,0|3,0,0]=4 416 B11R1.36 C[C@H](C(=O)O)C1CCCCC1 MCULE-6704404403 [0,0,0,0,1,0|1,0,0]=2 417 B11R1.36 C[C@H](C(=O)O)N1CCOCC1 MCULE-2246254781 [0,0,0,0,1,0|3,0,0]=4 418 B11R1.36 C[C@H](C(=O)O)N1CCOCC1 MCULE-7398324122 [0,0,0,0,1,0|3,0,0]=4 419 B11R1.36 NC(=O)C(F)C1CCNCC1 MCULE-2473361458 [0,0,0,0,1,0|3,0,0]=4 420 B11R1.36 NC(=O)C(F)C1CCNCC1 MCULE-7580412332 [0,0,0,0,1,0|3,0,0]=4 421 B11R1.36 NC(=O)C(N)C1CCCCC1 MCULE-4289358018 [0,0,0,0,1,0|1,0,0]=2 422 B11R1.36 NC(=O)C(O)C1CCOCC1 MCULE-9262690898 [0,0,0,0,1,0|3,0,0]=4 423 B11R1.36 NC(C(=O)O)C1CC=CCC1 MCULE-8998480466 [0,0,0,0,1,0|0,0,2]=3 424 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-1846014205 [0,0,0,0,1,0|0,0,0]=1 425 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-2033801873 [0,0,0,0,1,0|0,0,0]=1 426 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-4412820367 [0,0,0,0,1,0|0,0,0]=1 427 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-6865831162 [0,0,0,0,1,0|0,0,0]=1 428 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-4787612648 [0,0,0,0,1,0|1,0,0]=2 429 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-7916436523 [0,0,0,0,1,0|1,0,0]=2 430 B11R1.36 NC(C(=O)O)C1CCCNC1 MCULE-5536275038 [0,0,0,0,1,0|1,0,0]=2 431 B11R1.36 NC(C(=O)O)C1CCCOC1 MCULE-6641388094 [0,0,0,0,1,0|1,0,0]=2 432 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-3326635011 [0,0,0,0,1,0|1,0,0]=2 433 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-5860428330 [0,0,0,0,1,0|1,0,0]=2 434 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-9241993616 [0,0,0,0,1,0|1,0,0]=2 435 B11R1.36 NC(C(F)F)C1CCCCC1 MCULE-4068326645 [0,0,0,0,1,0|2,0,1]=4 436 B11R1.36 NC(C(F)F)C1CCCCC1 MCULE-6798866372 [0,0,0,0,1,0|2,0,1]=4 437 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-3443210425 [0,0,0,0,1,0|0,0,0]=1 438 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-4731070853 [0,0,0,0,1,0|0,0,0]=1 439 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6698336499 [0,0,0,0,1,0|0,0,0]=1 440 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6855404620 [0,0,0,0,1,0|0,0,0]=1 441 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-4067475583 [0,0,0,0,1,0|1,0,0]=2 442 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-4605949678 [0,0,0,0,1,0|1,0,0]=2 443 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-7160845829 [0,0,0,0,1,0|1,0,0]=2 444 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-8127248642 [0,0,0,0,1,0|1,0,0]=2 445 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1545974835 [0,0,0,0,1,0|0,0,0]=1 446 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1933038118 [0,0,0,0,1,0|0,0,0]=1 447 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-2164840222 [0,0,0,0,1,0|0,0,0]=1 448 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9858528992 [0,0,0,0,1,0|0,0,0]=1 449 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9914793144 [0,0,0,0,1,0|0,0,0]=1 450 B11R1.36 N[C@H](C(=O)O)C1CCNCC1 MCULE-3998200055 [0,0,0,0,1,0|1,0,0]=2 451 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-2693360453 [0,0,0,0,1,0|1,0,0]=2 452 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-5518278339 [0,0,0,0,1,0|1,0,0]=2 453 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-9024352263 [0,0,0,0,1,0|1,0,0]=2 454 B11R1.36 O=C(O)C(=C1CCCCC1)F MCULE-3891003655 [0,0,0,0,1,0|1,0,2]=4 455 B11R1.36 O=C(O)C(=O)C1CCCCC1 MCULE-8959024132 [0,0,0,0,1,0|1,0,1]=3 456 B11R1.36 O=C(O)C(=O)C1CCOCC1 MCULE-3496647241 [0,0,0,0,1,0|2,0,1]=4 457 B11R1.36 O=C(O)C(=O)N1CCCCC1 MCULE-8703593629 [0,0,0,0,1,0|2,0,1]=4 458 B11R1.36 O=C(O)C(F)C1CCCCC1 MCULE-1489080540 [0,0,0,0,1,0|1,0,0]=2 459 B11R1.36 O=C(O)C(F)C1CCOCC1 MCULE-4691952590 [0,0,0,0,1,0|2,0,0]=3 460 B11R1.36 O=C(O)C(O)C1CCCCC1 MCULE-1137791149 [0,0,0,0,1,0|1,0,0]=2 461 B11R1.36 O=C(O)C(O)C1CCCNC1 MCULE-1767872209 [0,0,0,0,1,0|2,0,0]=3 462 B11R1.36 O=C(O)C(O)C1CCCNC1 MCULE-6745265789 [0,0,0,0,1,0|2,0,0]=3 463 B11R1.36 O=C(O)C(O)C1CCOCC1 MCULE-5923962415 [0,0,0,0,1,0|2,0,0]=3 464 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 MCULE-2724503390 [0,0,0,0,1,0|1,0,0]=2 465 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 MCULE-6659758826 [0,0,0,0,1,0|1,0,0]=2 466 B11R1.36 O=C(O)[C@@H](O)C1CCOCC1 MCULE-6979522096 [0,0,0,0,1,0|2,0,0]=3 467 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 MCULE-2949323528 [0,0,0,0,1,0|1,0,0]=2 468 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 MCULE-3804932181 [0,0,0,0,1,0|1,0,0]=2 469 B11R1.36 [C@@H]1(CCCNC1)C(N)C(=O)O MCULE-6149074850 [0,0,0,0,1,0|1,0,0]=2 470 B11R1.36 [C@@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7684614655 [0,0,0,0,1,0|1,0,0]=2 471 B11R1.36 [C@@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-3256486770 [0,0,0,0,1,0|1,0,0]=2 472 B11R1.36 [C@H](N)(C(=O)O)C1CCCCC1 MCULE-2416228483 [0,0,0,0,1,0|0,0,0]=1 473 B11R1.36 [C@H]1(CCCNC1)C(N)C(=O)O MCULE-3096261009 [0,0,0,0,1,0|1,0,0]=2 474 B11R1.36 [C@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7922011516 [0,0,0,0,1,0|1,0,0]=2 475 B11R1.36 [C@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-6518139620 [0,0,0,0,1,0|1,0,0]=2 476 B13R1.348 CC(=O)CC(C)SC1CCCCC1 MCULE-1912626160 [0,0,0,0,0,1|3,0,0]=4 477 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 MCULE-1712654425 [0,0,0,0,0,1|0,0,0]=1 478 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 MCULE-1997434967 [0,0,0,0,0,1|0,0,0]=1 479 B13R1.348 O=C(O)CC(=O)OC1CCCCC1 MCULE-6255823961 [0,0,0,0,0,1|2,0,1]=4 480 B13R1.351 CC(NCC1CCCCC1)C(=O)O MCULE-2720403381 [0,0,0,0,0,1|1,0,0]=2 481 B13R1.351 CC(NCC1CCCCC1)C(=O)O MCULE-3259030207 [0,0,0,0,0,1|1,0,0]=2 482 B13R1.351 CC(OCC1CCCCO1)C(=O)O MCULE-1548150869 [0,0,0,0,0,1|2,0,0]=3 483 B13R1.351 NC(CCC1CCCCC1)C(=O)O MCULE-6773728629 [0,0,0,0,0,1|0,0,0]=1 484 B13R1.351 NC(CCC1CCCCC1)C(=O)O MCULE-9939535450 [0,0,0,0,0,1|0,0,0]=1 485 B13R1.351 NC(CCN1CCCCC1)C(=O)O MCULE-5079669712 [0,0,0,0,0,1|1,0,0]=2 486 B13R1.351 NC(CCN1CCOCC1)C(=O)O MCULE-2524453520 [0,0,0,0,0,1|2,0,0]=3 487 B13R1.351 NC(CSC1CCCCO1)C(=O)O MCULE-3395292239 [0,0,0,0,0,1|1,0,0]=2 488 B13R1.351 N[C@@H](CCC1CCCCC1)C(=O)O MCULE-9655484954 [0,0,0,0,0,1|0,0,0]=1 489 B13R1.351 N[C@H](CCC1CCCCC1)C(=O)O MCULE-4334214625 [0,0,0,0,0,1|0,0,0]=1 490 B13R1.351 [NH3+][C@@H](CCC1CCCCC1)C(=O)[O-] MCULE-9072026310 [0,0,0,0,0,1|0,0,2]=3 491 B13R1.351 [NH3+][C@H](CCC1CCCCC1)C(=O)[O-] MCULE-8474360288 [0,0,0,0,0,1|0,0,2]=3 492 B13R1.6192 CC(CC1CCCCCC1)C(=O)O MCULE-1246118295 [0,0,0,0,0,1|1,0,0]=2 493 B13R1.6192 CC(CN1CCCCCC1)C(=O)O MCULE-3834677932 [0,0,0,0,0,1|2,0,0]=3 494 B13R1.6192 CC(CN1CCCCCC1)C(=O)O MCULE-4875026121 [0,0,0,0,0,1|2,0,0]=3 495 B13R1.6192 CC(OC1CCCCCC1)C(=O)O MCULE-5522776987 [0,0,0,0,0,1|2,0,0]=3 496 B13R1.6192 NC(CC1CCCCCC1)C(=O)O MCULE-4714040866 [0,0,0,0,0,1|0,0,0]=1 497 B13R1.6192 NC(CC1CCCCCC1)C(=O)O MCULE-7833248184 [0,0,0,0,0,1|0,0,0]=1 498 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O MCULE-5047268774 [0,0,0,0,0,1|0,0,0]=1 499 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O MCULE-5328740745 [0,0,0,0,0,1|0,0,0]=1 500 B13R1.6192 O=C(O)C(=O)NC1CCCCCC1 MCULE-6082382741 [0,0,0,0,0,1|2,0,1]=4 501 B10R0.26 CCCC(C)CC(N)C(=O)O MCULE-8848436054 [1,0,1,0,0,0|0,0,0]=2 502 B10R0.26 CCCS(=O)CC(N)C(=O)O MCULE-8745806923 [1,0,1,0,0,0|2,0,0]=4 503 B10R0.26 CCCS(=O)C[C@H](N)C(=O)O MCULE-6968745632 [1,0,1,0,0,0|2,0,0]=4 504 B10R0.72 CCC(CC)CC(C)C(=O)O MCULE-7999332262 [1,0,1,0,0,0|1,0,0]=3 505 B10R0.72 CCN(CC)CC(C)C(=O)O MCULE-4165010028 [1,0,1,0,0,0|2,0,0]=4 506 B10R0.72 CCN(CC)CC(N)C(=O)N MCULE-5054958387 [1,0,1,0,0,0|2,0,0]=4 507 B10R0.4 C#CCCCCCCC(=O)O MCULE-9844370313 [1,0,1,0,0,0|0,0,2]=4 508 B10R0.4 C(=CC(=O)O)CCCCCC MCULE-5063564829 [1,0,1,0,0,0|0,0,2]=4 509 B10R0.4 C=C(Br)CCCCCCCC MCULE-6632348327 [1,0,1,0,0,0|2,0,0]=4 510 B10R0.4 C=C(C)CCCCCCCC MCULE-2486247417 [1,0,1,0,0,0|2,0,0]=4 511 B10R0.4 C=C(Cl)CCCCCCCC MCULE-5745154351 [1,0,1,0,0,0|2,0,0]=4 512 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [1,0,1,0,0,0|0,0,2]=4 513 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [1,0,1,0,0,0|2,0,0]=4 514 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [1,0,1,0,0,0|0,0,2]=4 515 B10R0.4 CCCCCC/C=C/C(=O)O MCULE-8167234483 [1,0,1,0,0,0|0,0,2]=4 516 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [1,0,1,0,0,0|0,0,2]=4 517 B10R0.4 CCCCCCCCB(O)O MCULE-9483383226 [1,0,1,0,0,0|1,0,1]=4 518 B10R0.4 CCCCCCCCC(=N)N MCULE-1846296312 [1,0,1,0,0,0|2,0,0]=4 519 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [1,0,1,0,0,0|1,0,0]=3 520 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [1,0,1,0,0,0|1,0,0]=3 521 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [1,0,1,0,0,0|1,0,0]=3 522 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [1,0,1,0,0,0|0,0,0]=2 523 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [1,0,1,0,0,0|0,0,1]=3 524 B10R0.4 CCCCCCCCC(C)O MCULE-3577613701 [1,0,1,0,0,0|1,0,1]=4 525 B10R0.4 CCCCCCCCN(=O)=O MCULE-2507397154 [1,0,1,0,0,0|1,0,1]=4 526 B10R0.4 CCCCCCCC[C@@H](C)O MCULE-6511994487 [1,0,1,0,0,0|1,0,1]=4 527 B10R0.4 CCCCCCCC[C@H](C)O MCULE-7200709868 [1,0,1,0,0,0|1,0,1]=4 528 B10R0.4 CCCCCCCNC(=O)C MCULE-3916780915 [1,0,1,0,0,0|2,0,0]=4 529 B10R0.4 CCCCCCCOC(=O)C MCULE-7061891812 [1,0,1,0,0,0|2,0,0]=4 530 B10R0.4 CCCCCCCOC(=O)Cl MCULE-9018506867 [1,0,1,0,0,0|2,0,0]=4 531 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [1,0,1,0,0,0|1,0,0]=3 532 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [1,0,1,0,0,0|1,0,0]=3 533 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [1,0,1,0,0,0|1,0,0]=3 534 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [1,0,1,0,0,0|1,0,0]=3 535 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [1,0,1,0,0,0|1,0,0]=3 536 B10R0.4 CCOCCOCCC(=O)O MCULE-7483626719 [1,0,1,0,0,0|2,0,0]=4 537 B10R0.4 COCCCOCCC(=O)O MCULE-5178930362 [1,0,1,0,0,0|2,0,0]=4 538 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [1,0,1,0,0,0|1,0,0]=3 539 B10R0.4 NC(=O)CCCCCCCBr MCULE-4427479699 [1,0,1,0,0,0|2,0,0]=4 540 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [1,0,1,0,0,0|1,0,0]=3 541 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [1,0,1,0,0,0|1,0,0]=3 542 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [1,0,1,0,0,0|2,0,0]=4 543 B10R0.4 NCCCNCCCC(=O)O MCULE-2780784491 [1,0,1,0,0,0|2,0,0]=4 544 B10R0.4 NCCCNCCCC(=O)O MCULE-8488597292 [1,0,1,0,0,0|2,0,0]=4 545 B10R0.4 O=C(Cl)CCCCCCCBr MCULE-5775098735 [1,0,1,0,0,0|2,0,0]=4 546 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [1,0,1,0,0,0|1,0,0]=3 547 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [1,0,1,0,0,0|1,0,0]=3 548 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [1,0,1,0,0,0|1,0,0]=3 549 B10R0.4 O=CCCCCCCC(=O)O MCULE-3146118588 [1,0,1,0,0,0|1,0,1]=4 550 B10R0.4 [C@H](C)(O)CCCCCCCC MCULE-7849954701 [1,0,1,0,0,0|1,0,1]=4 551 B10R0.74 C=CC(O)CCCCCCC MCULE-2034118054 [1,0,1,0,0,0|2,0,0]=4 552 B10R0.74 CCCCCCCC(C)C=O MCULE-6740449093 [1,0,1,0,0,0|1,0,0]=3 553 B10R0.74 CCCCCCCC(N)CC MCULE-5023964032 [1,0,1,0,0,0|1,0,1]=4 554 B10R0.74 CCCCCCCC(O)CO MCULE-4511310759 [1,0,1,0,0,0|1,0,1]=4 555 B10R0.75 C=CCCCCC(N)C(=O)O MCULE-9003674294 [1,0,1,0,0,0|0,0,2]=4 556 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-5424595854 [1,0,1,0,0,0|0,0,2]=4 557 B10R0.75 C=CCCCC[C@@H](N)C(=O)O MCULE-7894205841 [1,0,1,0,0,0|0,0,2]=4 558 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-6386840550 [1,0,1,0,0,0|0,0,2]=4 559 B10R0.75 C=CCCCC[C@H](N)C(=O)O MCULE-8206632491 [1,0,1,0,0,0|0,0,2]=4 560 B10R0.75 CCCCCCC(Br)C(=O)Br MCULE-8391154868 [1,0,1,0,0,0|2,0,0]=4 561 B10R0.75 CCCCCCC(Br)C(=O)O MCULE-3532642872 [1,0,1,0,0,0|1,0,0]=3 562 B10R0.75 CCCCCCC(C)C(=O)C MCULE-2296587993 [1,0,1,0,0,0|2,0,0]=4 563 B10R0.75 CCCCCCC(C)C(=O)Cl MCULE-4801747974 [1,0,1,0,0,0|2,0,0]=4 564 B10R0.75 CCCCCCC(C)C(=O)O MCULE-6664640382 [1,0,1,0,0,0|1,0,0]=3 565 B10R0.75 CCCCCCC(F)C(=O)O MCULE-3865739259 [1,0,1,0,0,0|1,0,0]=3 566 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [1,0,1,0,0,0|0,0,0]=2 567 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [1,0,1,0,0,0|0,0,0]=2 568 B10R0.75 CCCCCCC(O)C(=O)O MCULE-1679305682 [1,0,1,0,0,0|1,0,0]=3 569 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [1,0,1,0,0,0|0,0,0]=2 570 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [1,0,1,0,0,0|0,0,0]=2 571 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [1,0,1,0,0,0|0,0,0]=2 572 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [1,0,1,0,0,0|0,0,0]=2 573 B10R0.75 CCCCSC[C@@H](N)C(=O)O MCULE-8737283640 [1,0,1,0,0,0|1,0,0]=3 574 B10R0.75 CCCCSC[C@H](N)C(=O)O MCULE-5383064231 [1,0,1,0,0,0|1,0,0]=3 575 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [1,0,1,0,0,0|1,0,0]=3 576 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [1,0,1,0,0,0|1,0,0]=3 577 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [1,0,1,0,0,0|1,0,0]=3 578 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [1,0,1,0,0,0|1,0,0]=3 579 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [1,0,1,0,0,0|1,0,0]=3 580 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [1,0,1,0,0,0|1,0,0]=3 581 B10R0.75 COCCSCC(N)C(=O)O MCULE-1808987613 [1,0,1,0,0,0|2,0,0]=4 582 B10R0.75 NC(CSCCCO)C(=O)O MCULE-6250464318 [1,0,1,0,0,0|2,0,0]=4 583 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [1,0,1,0,0,0|1,0,0]=3 584 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [1,0,1,0,0,0|1,0,0]=3 585 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [1,0,1,0,0,0|1,0,0]=3 586 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [1,0,1,0,0,0|1,0,0]=3 587 B10R0.75 NCCCSC[C@H](N)C(=O)O MCULE-9670718396 [1,0,1,0,0,0|2,0,0]=4 588 B10R0.75 NCCC[Se]C[C@H](N)C(=O)O MCULE-4318104451 [1,0,1,0,0,0|2,0,0]=4 589 B10R0.75 N[C@@H](CCSCCO)C(=O)O MCULE-2974080305 [1,0,1,0,0,0|2,0,0]=4 590 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-1323141415 [1,0,1,0,0,0|2,0,0]=4 591 B10R0.75 N[C@@H](CSCCCO)C(=O)O MCULE-8256841743 [1,0,1,0,0,0|2,0,0]=4 592 B10R0.78 CCCCC(=O)CCC(=O)O MCULE-7337930692 [1,0,1,0,0,0|1,0,1]=4 593 B10R0.78 CCCCC(C)CCC(=O)O MCULE-2454273176 [1,0,1,0,0,0|0,0,0]=2 594 B10R0.78 CCCCC(N)CCC(=O)O MCULE-2622598542 [1,0,1,0,0,0|1,0,0]=3 595 B10R0.78 CCCCC(N)CCC(=O)O MCULE-5683869807 [1,0,1,0,0,0|1,0,0]=3 596 B10R0.78 CCCCC(O)CCC(=O)O MCULE-6806538778 [1,0,1,0,0,0|1,0,0]=3 597 B10R0.78 CCCCC(O)CCC(=O)[O-] MCULE-9148086354 [1,0,1,0,0,0|1,0,1]=4 598 B10R0.78 CCCCN(C)CCC(=O)Cl MCULE-7206863872 [1,0,1,0,0,0|2,0,0]=4 599 B10R0.78 CCCCN(C)CCC(=O)Cl MCULE-9921667039 [1,0,1,0,0,0|2,0,0]=4 600 B10R0.78 CCCCN(C)CCC(=O)O MCULE-3286714152 [1,0,1,0,0,0|1,0,0]=3 601 B10R0.78 CCCCS(=O)CCC(=O)O MCULE-7420971633 [1,0,1,0,0,0|2,0,0]=4 602 B10R0.78 CCCC[C@H](C)CCC(=O)O MCULE-4790339661 [1,0,1,0,0,0|0,0,0]=2 603 B10R0.78 COCCN(C)CCC(=O)O MCULE-2595956640 [1,0,1,0,0,0|2,0,0]=4 604 B10R0.78 COCCN(C)CCC(=O)O MCULE-5654625094 [1,0,1,0,0,0|2,0,0]=4 605 B10R1.17 BrCCCC1CCCCC1 MCULE-3138331756 [2,0,0,0,0,0|1,0,1]=4 606 B10R1.17 C#CCCC1CCCCC1 MCULE-2956732689 [2,0,0,0,0,0|1,0,1]=4 607 B10R1.17 C=CCNC1CCCCC1 MCULE-2585284590 [2,0,0,0,0,0|2,0,0]=4 608 B10R1.17 CCCCC1CCCCC1 MCULE-2568850283 [2,0,0,0,0,0|1,0,1]=4 609 B10R1.17 CNCCC1CCCCC1 MCULE-9916111513 [2,0,0,0,0,0|2,0,0]=4 610 B10R1.17 ClCCCC1CCCCC1 MCULE-9703542324 [2,0,0,0,0,0|1,0,1]=4 611 B10R1.17 ICCCC1CCCCC1 MCULE-3721842593 [2,0,0,0,0,0|1,0,1]=4 612 B10R1.17 N#CCCC1CCCCC1 MCULE-1308152967 [2,0,0,0,0,0|1,0,1]=4 613 B10R1.17 NCCCC1CCCCC1 MCULE-6337829624 [2,0,0,0,0,0|1,0,1]=4 614 B10R1.17 NCCCC1CCCCC1 MCULE-8205690727 [2,0,0,0,0,0|1,0,1]=4 615 B10R1.17 NNCCC1CCCCC1 MCULE-1394503563 [2,0,0,0,0,0|2,0,0]=4 616 B10R1.17 NNCCC1CCCCC1 MCULE-2159579511 [2,0,0,0,0,0|2,0,0]=4 617 B10R1.17 NOCCC1CCCCC1 MCULE-8421298103 [2,0,0,0,0,0|2,0,0]=4 618 B10R1.17 NOCCC1CCCCC1 MCULE-8505614906 [2,0,0,0,0,0|2,0,0]=4 619 B10R1.17 O=C=NCC1CCCCC1 MCULE-8641797577 [2,0,0,0,0,0|1,0,1]=4 620 B10R1.17 O=CC=CC1CCCCC1 MCULE-6888009707 [2,0,0,0,0,0|0,0,2]=4 621 B10R1.17 O=CCCC1CCCCC1 MCULE-7542460978 [2,0,0,0,0,0|0,0,0]=2 622 B10R1.17 O=CCCC1CCOCC1 MCULE-9926976903 [2,0,0,0,0,0|1,0,0]=3 623 B10R1.17 O=CCCN1CCCCC1 MCULE-1060522965 [2,0,0,0,0,0|1,0,0]=3 624 B10R1.17 O=CCCN1CCOCC1 MCULE-6110490684 [2,0,0,0,0,0|2,0,0]=4 625 B10R1.17 O=CCOC1CCCCC1 MCULE-6729274923 [2,0,0,0,0,0|1,0,0]=3 626 B10R1.17 O=CCOC1CCCCO1 MCULE-5185852140 [2,0,0,0,0,0|2,0,0]=4 627 B10R1.17 O=CCOC1CCOCC1 MCULE-9271510143 [2,0,0,0,0,0|2,0,0]=4 628 B10R1.17 OCCCC1CCCCC1 MCULE-6307495993 [2,0,0,0,0,0|0,0,1]=3 629 B10R1.17 OCCCC1CCCCN1 MCULE-4753823032 [2,0,0,0,0,0|1,0,1]=4 630 B10R1.17 OCCCC1CCCCN1 MCULE-7684357711 [2,0,0,0,0,0|1,0,1]=4 631 B10R1.17 OCCCC1CCCCO1 MCULE-8974781617 [2,0,0,0,0,0|1,0,1]=4 632 B10R1.17 OCCCC1CCCNC1 MCULE-5587440064 [2,0,0,0,0,0|1,0,1]=4 633 B10R1.17 OCCCC1CCNCC1 MCULE-8103308194 [2,0,0,0,0,0|1,0,1]=4 634 B10R1.17 OCCCC1CCNCC1 MCULE-9288109884 [2,0,0,0,0,0|1,0,1]=4 635 B10R1.17 OCCCC1CCOCC1 MCULE-4181244746 [2,0,0,0,0,0|1,0,1]=4 636 B10R1.17 OCCCN1CCCCC1 MCULE-8412207622 [2,0,0,0,0,0|1,0,1]=4 637 B10R1.17 OCCNC1CCCCC1 MCULE-7503084631 [2,0,0,0,0,0|1,0,1]=4 638 B10R1.17 OCCOC1CCCCC1 MCULE-9282353409 [2,0,0,0,0,0|1,0,1]=4 639 B10R1.18 CC(=O)CC1CCCCC1 MCULE-4557008527 [2,0,0,0,0,0|1,0,1]=4 640 B10R1.18 CC(C)CC1CCCCC1 MCULE-9687600634 [2,0,0,0,0,0|1,0,1]=4 641 B10R1.18 CC(N)CC1CCCCC1 MCULE-1142500303 [2,0,0,0,0,0|0,0,1]=3 642 B10R1.18 CC(N)CC1CCCCC1 MCULE-4437610086 [2,0,0,0,0,0|0,0,1]=3 643 B10R1.18 CC(N)CC1CCOCC1 MCULE-2681712745 [2,0,0,0,0,0|1,0,1]=4 644 B10R1.18 CC(N)CN1CCCCC1 MCULE-6084714204 [2,0,0,0,0,0|1,0,1]=4 645 B10R1.18 CC(O)CC1CCCCN1 MCULE-5900716273 [2,0,0,0,0,0|2,0,0]=4 646 B10R1.18 CC(O)CC1CCNCC1 MCULE-1313929313 [2,0,0,0,0,0|2,0,0]=4 647 B10R1.18 CC(O)CC1CCNCC1 MCULE-5363721367 [2,0,0,0,0,0|2,0,0]=4 648 B10R1.18 CC(O)CC1CCOCC1 MCULE-9609138177 [2,0,0,0,0,0|2,0,0]=4 649 B10R1.18 CC(O)CN1CCCCC1 MCULE-1185747422 [2,0,0,0,0,0|2,0,0]=4 650 B10R1.18 C[C@@H](O)CC1CCCCC1 MCULE-4273662766 [2,0,0,0,0,0|1,0,0]=3 651 B10R1.18 C[C@H](N)CC1CCCCC1 MCULE-7692733032 [2,0,0,0,0,0|0,0,1]=3 652 B10R1.18 C[C@H](N)CC1CCCCC1 MCULE-8735977904 [2,0,0,0,0,0|0,0,1]=3 653 B10R1.18 C[C@H](N)CN1CCCCC1 MCULE-9604349793 [2,0,0,0,0,0|1,0,1]=4 654 B10R1.18 C[C@H](O)CC1CCCCC1 MCULE-7528064890 [2,0,0,0,0,0|1,0,0]=3 655 B10R1.18 N=C(N)CC1CCCCC1 MCULE-8473334050 [2,0,0,0,0,0|1,0,1]=4 656 B10R1.18 N=C(N)CC1CCCCC1 MCULE-9393856468 [2,0,0,0,0,0|1,0,1]=4 657 B10R1.18 NC(=O)CC1CCCCC1 MCULE-4951525688 [2,0,0,0,0,0|0,0,1]=3 658 B10R1.18 NC(=O)CC1CCCCN1 MCULE-2185479052 [2,0,0,0,0,0|1,0,1]=4 659 B10R1.18 NC(=O)CC1CCCCN1 MCULE-4538477610 [2,0,0,0,0,0|1,0,1]=4 660 B10R1.18 NC(=O)CC1CCCNC1 MCULE-9261260462 [2,0,0,0,0,0|1,0,1]=4 661 B10R1.18 NC(=O)CC1CCCNC1 MCULE-9756580933 [2,0,0,0,0,0|1,0,1]=4 662 B10R1.18 NC(=O)CC1CCNCC1 MCULE-4391382932 [2,0,0,0,0,0|1,0,1]=4 663 B10R1.18 NC(=O)CC1CCNCC1 MCULE-4639158092 [2,0,0,0,0,0|1,0,1]=4 664 B10R1.18 NC(=O)CC1CCOCC1 MCULE-6220113088 [2,0,0,0,0,0|1,0,1]=4 665 B10R1.18 NC(=O)CN1CCCCC1 MCULE-5267943459 [2,0,0,0,0,0|1,0,1]=4 666 B10R1.18 NC(=O)NC1CCCCC1 MCULE-8036346010 [2,0,0,0,0,0|1,0,1]=4 667 B10R1.18 NC(=O)OC1CCCCC1 MCULE-3235010863 [2,0,0,0,0,0|1,0,1]=4 668 B10R1.18 NC(=S)CC1CCCCC1 MCULE-2529176221 [2,0,0,0,0,0|0,1,1]=4 669 B10R1.18 O=C(Cl)CC1CCCCC1 MCULE-2220383860 [2,0,0,0,0,0|1,0,1]=4 670 B10R1.18 O=C(O)CC1CCCCC1 MCULE-3370925166 [2,0,0,0,0,0|1,0,1]=4 671 B10R1.18 OB(O)CC1CCCCC1 MCULE-6141319242 [2,0,0,0,0,0|2,0,0]=4 672 B12R0.166 N[C@@H](CN(CCO)CCO)C(=O)O MCULE-8263881704 [0,1,1,0,0,0|2,0,0]=4 673 B12R0.42 C/C(=N/CCCC[C@H](N)C(=O)O)/N MCULE-7878147954 [0,1,1,0,0,0|1,0,1]=4 674 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-2748186789 [0,1,1,0,0,0|1,0,1]=4 675 B12R0.42 CC(=N)NCCCCC(N)C(=O)O MCULE-6164256302 [0,1,1,0,0,0|1,0,1]=4 676 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-2218386265 [0,1,1,0,0,0|1,0,1]=4 677 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-5581195825 [0,1,1,0,0,0|1,0,1]=4 678 B12R0.42 CC(=N)NCCCC[C@H](N)C(=O)O MCULE-8004298113 [0,1,1,0,0,0|1,0,1]=4 679 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-8560922815 [0,1,1,0,0,0|0,0,1]=3 680 B12R0.42 CC(=O)CCCCCC(N)C(=O)O MCULE-9405826819 [0,1,1,0,0,0|0,0,1]=3 681 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-4363164306 [0,1,1,0,0,0|1,0,1]=4 682 B12R0.42 CC(=O)NCCCCC(N)C(=O)O MCULE-7418953050 [0,1,1,0,0,0|1,0,1]=4 683 B12R0.42 CC(=O)NCCCC[C@@H](N)C(=O)O MCULE-2826730309 [0,1,1,0,0,0|1,0,1]=4 684 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2500699001 [0,1,1,0,0,0|1,0,1]=4 685 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-2747158053 [0,1,1,0,0,0|1,0,1]=4 686 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-8086021811 [0,1,1,0,0,0|1,0,1]=4 687 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O MCULE-9503615061 [0,1,1,0,0,0|1,0,1]=4 688 B12R0.42 CC(C)NCCCCC(N)C(=O)O MCULE-4725150112 [0,1,1,0,0,0|1,0,0]=3 689 B12R0.42 CC(C)NCCCC[C@H](N)C(=O)O MCULE-1146954302 [0,1,1,0,0,0|1,0,0]=3 690 B12R0.42 NC(CCCCCC(=O)O)C(=O)O MCULE-7949829956 [0,1,1,0,0,0|1,0,1]=4 691 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-2069821066 [0,1,1,0,0,0|1,0,1]=4 692 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O MCULE-3495032122 [0,1,1,0,0,0|1,0,1]=4 693 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-2692259414 [0,1,1,0,0,0|1,0,1]=4 694 B12R0.42 N[C@H](CCCCCC(=O)O)C(=O)O MCULE-6806526657 [0,1,1,0,0,0|1,0,1]=4 695 B12R0.42 [C@@H](N)(CCCCNC(=O)C)C(=O)O MCULE-9387648281 [0,1,1,0,0,0|1,0,1]=4 696 B12R0.46 CCCCCCC(O)C(N)C(=O)O MCULE-6650393951 [0,1,1,0,0,0|0,0,0]=2 697 B12R0.48 CCCCS(=O)CCC(N)C(=O)O MCULE-3972272860 [0,1,1,0,0,0|1,0,0]=3 698 B12R0.48 CCCNC(=O)CCC(N)C(=O)O MCULE-6343668590 [0,1,1,0,0,0|1,0,1]=4 699 B12R0.49 CCCCCNCC(C)C(=O)OC MCULE-7883564580 [0,1,1,0,0,0|2,0,0]=4 700 B12R0.58 CCCCCCCC(C)(C)C(=O)C MCULE-5474855266 [0,1,1,0,0,0|2,0,0]=4 701 B12R0.58 CCCCCCCC(C)(C)C(=O)O MCULE-5703679612 [0,1,1,0,0,0|1,0,0]=3 702 B12R0.123 CCCCOC(=O)CC(N)C(=O)O MCULE-6916489846 [0,1,1,0,0,0|1,0,1]=4 703 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-5572284521 [0,1,1,0,0,0|1,0,1]=4 704 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-9860243160 [0,1,1,0,0,0|1,0,1]=4 705 B12R0.201 CCCCCCCC(CC)C(=O)O MCULE-8987975802 [0,1,1,0,0,0|1,0,0]=3 706 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O MCULE-2799345068 [0,1,1,0,0,0|0,0,1]=3 707 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O MCULE-9903243220 [0,1,1,0,0,0|0,0,1]=3 708 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O MCULE-2269405644 [0,1,1,0,0,0|0,0,1]=3 709 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O MCULE-9502690178 [0,1,1,0,0,0|0,0,1]=3 710 B12R0.251 CCCCCCCCC(Br)C(=O)O MCULE-2249695757 [0,1,1,0,0,0|1,0,0]=3 711 B12R0.251 CCCCCCCCC(C)C(=O)O MCULE-5055484783 [0,1,1,0,0,0|1,0,0]=3 712 B12R0.251 CCCCCCCCC(N)C(=O)O MCULE-5147614071 [0,1,1,0,0,0|0,0,0]=2 713 B12R0.251 CCCCCCCCC(O)C(=O)O MCULE-8352063977 [0,1,1,0,0,0|1,0,0]=3 714 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O MCULE-7683022827 [0,1,1,0,0,0|1,0,0]=3 715 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O MCULE-7339170439 [0,1,1,0,0,0|0,0,0]=2 716 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-4486967061 [0,1,1,0,0,0|0,0,0]=2 717 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-5097554565 [0,1,1,0,0,0|0,0,0]=2 718 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-8055488376 [0,1,1,0,0,0|1,0,0]=3 719 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-9794122537 [0,1,1,0,0,0|1,0,0]=3 720 B12R0.251 CCCCCCCOC(C)C(=O)O MCULE-7189109747 [0,1,1,0,0,0|1,0,0]=3 721 B12R0.251 [C@@H](N)(CCCCCCCC)C(=O)O MCULE-7027186088 [0,1,1,0,0,0|0,0,0]=2 722 B12R0.135 CCCCN(C)CC(C)(C)C(=O)O MCULE-2431359691 [0,1,1,0,0,0|2,0,0]=4 723 B12R0.135 CCCCN(C)CC(C)(C)C(=O)O MCULE-3500696730 [0,1,1,0,0,0|2,0,0]=4 724 B12R1.34 NC(CO)C(O)C1CCCCC1 MCULE-6147561026 [1,1,0,0,0,0|0,0,1]=3 725 B12R1.34 NC(CO)C(O)C1CCCCC1 MCULE-7233486936 [1,1,0,0,0,0|0,0,1]=3 726 B12R1.118 NCC(CO)CC1CCCCC1 MCULE-8514139287 [1,1,0,0,0,0|0,0,1]=3 727 B12R1.118 NCC(CO)CC1CCOCC1 MCULE-1536566429 [1,1,0,0,0,0|1,0,1]=4 728 B12R1.194 CC(C)(C=O)CC1CCCCC1 MCULE-7600709168 [1,1,0,0,0,0|1,0,0]=3 729 B12R1.194 CC(C)(C=O)CN1CCCCC1 MCULE-6194912131 [1,1,0,0,0,0|2,0,0]=4 730 B12R1.194 CC(C)(CO)CC1CCCCC1 MCULE-2756411126 [1,1,0,0,0,0|1,0,1]=4 731 B12R1.21 CC(=O)SC[C@H]1CC[C@@H](CC1)N MCULE-6711585956 [1,1,0,0,0,0|2,0,0]=4 732 B12R1.21 CC(=O)SC[C@H]1CC[C@@H](CC1)N MCULE-9356026775 [1,1,0,0,0,0|2,0,0]=4 733 B12R1.21 CC1CCC(CC1)OCC(=O)O MCULE-3906347654 [1,1,0,0,0,0|1,0,0]=3 734 B12R1.21 CC1CCN(CC1)CCC(=O)N MCULE-9374395485 [1,1,0,0,0,0|2,0,0]=4 735 B12R1.21 CC1CCN(CC1)CCC(=O)O MCULE-2878454112 [1,1,0,0,0,0|1,0,0]=3 736 B12R1.21 CC1CC[NH+](CC1)CCC(=O)O MCULE-8844394642 [1,1,0,0,0,0|1,0,0]=3 737 B12R1.21 CN1CCC(CC1)CCC(=O)O MCULE-2352268379 [1,1,0,0,0,0|1,0,0]=3 738 B12R1.21 CN1CCC(CC1)CCC(=O)O MCULE-5230181915 [1,1,0,0,0,0|1,0,0]=3 739 B12R1.21 CN1CCC(CC1)NCC(=O)O MCULE-1028235136 [1,1,0,0,0,0|2,0,0]=4 740 B12R1.21 CN1CCC(CC1)NCC(=O)O MCULE-1844187145 [1,1,0,0,0,0|2,0,0]=4 741 B12R1.21 CN1CCC(CC1)NCC(=O)O MCULE-2824894839 [1,1,0,0,0,0|2,0,0]=4 742 B12R1.21 CN1CCC(CC1)OCC(=O)O MCULE-2494292636 [1,1,0,0,0,0|2,0,0]=4 743 B12R1.21 CN1CCC(CC1)OCC(=O)O MCULE-2925460339 [1,1,0,0,0,0|2,0,0]=4 744 B12R1.21 CN1CCN(CC1)CCC(=O)O MCULE-1064558305 [1,1,0,0,0,0|2,0,0]=4 745 B12R1.21 CN1CCN(CC1)CCC(=O)O MCULE-8851231968 [1,1,0,0,0,0|2,0,0]=4 746 B12R1.21 C[C@H]1CC[C@@H](CC1)CCC(=O)O MCULE-7082492863 [1,1,0,0,0,0|0,0,0]=2 747 B12R1.21 C[NH+]1CC[NH+](CC1)CCC(=O)O MCULE-4626055005 [1,1,0,0,0,0|2,0,0]=4 748 B12R1.21 NC(=O)CNC1CCC(CC1)N MCULE-8943771451 [1,1,0,0,0,0|2,0,0]=4 749 B12R1.21 NC1CCC(CC1)CCC(=O)O MCULE-3578215541 [1,1,0,0,0,0|0,0,0]=2 750 B12R1.21 NC1CCC(CC1)NCC(=O)O MCULE-5319227851 [1,1,0,0,0,0|1,0,0]=3 751 B12R1.21 O=C(O)CCC1CCC(=O)CC1 MCULE-5805639266 [1,1,0,0,0,0|0,0,1]=3 752 B12R1.21 O=C(O)CCC1CCC(=O)NC1 MCULE-4463958596 [1,1,0,0,0,0|1,0,1]=4 753 B12R1.21 O=C(O)CCN1CCC(=O)CC1 MCULE-3345805432 [1,1,0,0,0,0|1,0,1]=4 754 B12R1.21 O=C(O)CCN1CCC(CC1)O MCULE-9235280130 [1,1,0,0,0,0|1,0,0]=3 755 B12R1.21 O=C(O)CCN1CCC(CC1)O MCULE-9990533659 [1,1,0,0,0,0|1,0,0]=3 756 B12R1.21 O=C(O)CCN1CCS(=O)CC1 MCULE-2459585373 [1,1,0,0,0,0|2,0,0]=4 757 B12R1.21 O=C(O)CNC1CCC(=O)CC1 MCULE-8506813160 [1,1,0,0,0,0|1,0,1]=4 758 B12R1.21 O=C(O)CNC1CCC(CC1)Br MCULE-6782284499 [1,1,0,0,0,0|1,0,0]=3 759 B12R1.21 O=C(O)CNC1CCC(CC1)Cl MCULE-6608935546 [1,1,0,0,0,0|1,0,0]=3 760 B12R1.21 O=C(O)CNC1CCC(CC1)I MCULE-2374737750 [1,1,0,0,0,0|1,0,0]=3 761 B12R1.21 O=C(O)CNC1CCC(CC1)O MCULE-5139328392 [1,1,0,0,0,0|1,0,0]=3 762 B12R1.27 C=CC(=O)NCC1CCCCC1 MCULE-7329688046 [1,1,0,0,0,0|2,0,0]=4 763 B12R1.27 CNC(=O)CCC1CCCCC1 MCULE-4673526571 [1,1,0,0,0,0|1,0,0]=3 764 B12R1.27 CNC(=O)CCC1CCCCN1 MCULE-1058691471 [1,1,0,0,0,0|2,0,0]=4 765 B12R1.27 CNC(=O)CCC1CCCCN1 MCULE-6199763890 [1,1,0,0,0,0|2,0,0]=4 766 B12R1.27 CNC(=O)CCC1CCCNC1 MCULE-4365216369 [1,1,0,0,0,0|2,0,0]=4 767 B12R1.27 CNC(=O)CCC1CCCNC1 MCULE-4665588497 [1,1,0,0,0,0|2,0,0]=4 768 B12R1.27 CNC(=O)CCC1CCNCC1 MCULE-5487007846 [1,1,0,0,0,0|2,0,0]=4 769 B12R1.27 COC(=O)CCC1CCCCC1 MCULE-4982130149 [1,1,0,0,0,0|0,0,0]=2 770 B12R1.27 COC(=O)CCC1CCCCN1 MCULE-5430155727 [1,1,0,0,0,0|1,0,0]=3 771 B12R1.27 COC(=O)CCC1CCCCN1 MCULE-8425873185 [1,1,0,0,0,0|1,0,0]=3 772 B12R1.27 COC(=O)CCC1CCCNC1 MCULE-3207892462 [1,1,0,0,0,0|1,0,0]=3 773 B12R1.27 COC(=O)CCC1CCCNC1 MCULE-4998474197 [1,1,0,0,0,0|1,0,0]=3 774 B12R1.27 COC(=O)CCC1CCNCC1 MCULE-4070291371 [1,1,0,0,0,0|1,0,0]=3 775 B12R1.27 COC(=O)CCC1CCNCC1 MCULE-9899833979 [1,1,0,0,0,0|1,0,0]=3 776 B12R1.27 COC(=O)CCC1CNCCN1 MCULE-3646955067 [1,1,0,0,0,0|2,0,0]=4 777 B12R1.27 COC(=O)CCC1CNCCN1 MCULE-7815242180 [1,1,0,0,0,0|2,0,0]=4 778 B12R1.27 COC(=O)CCC1COCCN1 MCULE-2668736062 [1,1,0,0,0,0|2,0,0]=4 779 B12R1.27 COC(=O)CCC1COCCN1 MCULE-3833814360 [1,1,0,0,0,0|2,0,0]=4 780 B12R1.27 COC(=O)CCN1CCCCC1 MCULE-8363403616 [1,1,0,0,0,0|1,0,0]=3 781 B12R1.27 COC(=O)CCN1CCCCC1 MCULE-9158799668 [1,1,0,0,0,0|1,0,0]=3 782 B12R1.27 COC(=O)CCN1CCNCC1 MCULE-7011490046 [1,1,0,0,0,0|2,0,0]=4 783 B12R1.27 COC(=O)CCN1CCNCC1 MCULE-9475157340 [1,1,0,0,0,0|2,0,0]=4 784 B12R1.27 COC(=O)CCN1CCOCC1 MCULE-1223322617 [1,1,0,0,0,0|2,0,0]=4 785 B12R1.27 COC(=O)CCN1CCSCC1 MCULE-4456368053 [1,1,0,0,0,0|2,0,0]=4 786 B12R1.27 COC(=O)CNC1CCCCC1 MCULE-3628546494 [1,1,0,0,0,0|1,0,0]=3 787 B12R1.27 COC(=O)CNC1CCCCC1 MCULE-8461156941 [1,1,0,0,0,0|1,0,0]=3 788 B12R1.27 COC(=O)CNC1CCOCC1 MCULE-2414362668 [1,1,0,0,0,0|2,0,0]=4 789 B12R1.27 COC(=O)CNC1CCOCC1 MCULE-9240609938 [1,1,0,0,0,0|2,0,0]=4 790 B12R1.27 COC(=O)COC1CCCCC1 MCULE-2770584925 [1,1,0,0,0,0|1,0,0]=3 791 B12R1.27 COC(=O)COC1CCCCO1 MCULE-9132561989 [1,1,0,0,0,0|2,0,0]=4 792 B12R1.27 COC(=O)COC1CCNCC1 MCULE-1515730437 [1,1,0,0,0,0|2,0,0]=4 793 B12R1.27 COC(=O)COC1CCNCC1 MCULE-4644132320 [1,1,0,0,0,0|2,0,0]=4 794 B12R1.27 COC(=O)CSC1CCCCC1 MCULE-3029014522 [1,1,0,0,0,0|1,0,0]=3 795 B12R1.27 N/C(=N/O)/CCN1CCCCC1 MCULE-6992526811 [1,1,0,0,0,0|2,0,0]=4 796 B12R1.27 N/C(=N\O)/CCN1CCCCC1 MCULE-8593066538 [1,1,0,0,0,0|2,0,0]=4 797 B12R1.27 NNC(=O)CCC1CCCCC1 MCULE-5265552441 [1,1,0,0,0,0|1,0,0]=3 798 B12R1.27 NNC(=O)CCC1CCCOC1 MCULE-8516252594 [1,1,0,0,0,0|2,0,0]=4 799 B12R1.27 NNC(=O)CCN1CCCCC1 MCULE-1695375615 [1,1,0,0,0,0|2,0,0]=4 800 B12R1.27 NNC(=O)CNC1CCCCC1 MCULE-1213092866 [1,1,0,0,0,0|2,0,0]=4 801 B12R1.27 O=C(CBr)CCC1CCCCO1 MCULE-5556789952 [1,1,0,0,0,0|2,0,0]=4 802 B12R1.27 O=C(CBr)NCC1CCCCC1 MCULE-2764680318 [1,1,0,0,0,0|2,0,0]=4 803 B12R1.27 O=C(CCC1CCCCC1)NO MCULE-7475709240 [1,1,0,0,0,0|0,0,0]=2 804 B12R1.27 O=C(CCl)NCC1CCCCC1 MCULE-9819057027 [1,1,0,0,0,0|2,0,0]=4 805 B12R1.27 O=C(CO)NCC1CCCCC1 MCULE-7174776825 [1,1,0,0,0,0|1,0,0]=3 806 B12R1.107 CC(=CC(=O)O)C1CCCCC1 MCULE-1521149204 [1,1,0,0,0,0|0,0,2]=4 807 B12R1.107 CC(=O)CC(=O)C1CCCCC1 MCULE-5013219868 [1,1,0,0,0,0|1,0,1]=4 808 B12R1.107 CC(CC(=O)O)C1CCCCC1 MCULE-5146752612 [1,1,0,0,0,0|0,0,0]=2 809 B12R1.107 CC(CC(=O)O)C1CCNCC1 MCULE-4155328285 [1,1,0,0,0,0|1,0,0]=3 810 B12R1.107 CC(CC(=O)O)C1COCCO1 MCULE-9669755956 [1,1,0,0,0,0|2,0,0]=4 811 B12R1.107 CC(CC(=O)O)N1CCCCC1 MCULE-5546995806 [1,1,0,0,0,0|1,0,0]=3 812 B12R1.107 CC(CC(=O)O)N1CCCCC1 MCULE-8811572713 [1,1,0,0,0,0|1,0,0]=3 813 B12R1.107 CC(CC(=O)O)N1CCOCC1 MCULE-7868090057 [1,1,0,0,0,0|2,0,0]=4 814 B12R1.107 CC(CC(=O)O)N1CCOCC1 MCULE-9159267461 [1,1,0,0,0,0|2,0,0]=4 815 B12R1.107 CN(CC(=O)O)C1CCCCC1 MCULE-8538488249 [1,1,0,0,0,0|1,0,0]=3 816 B12R1.107 CN(CC(=O)O)C1CCCCC1 MCULE-8582183581 [1,1,0,0,0,0|1,0,0]=3 817 B12R1.107 CN(CC(=O)O)C1CCNCC1 MCULE-5744482363 [1,1,0,0,0,0|2,0,0]=4 818 B12R1.107 CN(CC(=O)O)C1CCNCC1 MCULE-5812424158 [1,1,0,0,0,0|2,0,0]=4 819 B12R1.107 NC(CC(=O)O)C1CC=CCC1 MCULE-4298708464 [1,1,0,0,0,0|0,0,2]=4 820 B12R1.107 NC(CC(=O)O)C1CCCCC1 MCULE-3734527997 [1,1,0,0,0,0|0,0,0]=2 821 B12R1.107 NC(CC(=O)O)C1CCCCC1 MCULE-8095164306 [1,1,0,0,0,0|0,0,0]=2 822 B12R1.107 NC(CC(=O)O)C1CCCOC1 MCULE-6067693399 [1,1,0,0,0,0|1,0,0]=3 823 B12R1.107 NC(CC(=O)O)C1CCCOC1 MCULE-9538415271 [1,1,0,0,0,0|1,0,0]=3 824 B12R1.107 NC(CC(=O)O)C1CCOCC1 MCULE-3602136384 [1,1,0,0,0,0|1,0,0]=3 825 B12R1.107 NC(CC(=O)O)C1CCOCC1 MCULE-4838977044 [1,1,0,0,0,0|1,0,0]=3 826 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 MCULE-1722747072 [1,1,0,0,0,0|0,0,0]=2 827 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 MCULE-4345050528 [1,1,0,0,0,0|0,0,0]=2 828 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 MCULE-6774023632 [1,1,0,0,0,0|0,0,0]=2 829 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-5426257730 [1,1,0,0,0,0|0,0,0]=2 830 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-6223565506 [1,1,0,0,0,0|0,0,0]=2 831 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-8271946680 [1,1,0,0,0,0|0,0,0]=2 832 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-9947760299 [1,1,0,0,0,0|0,0,0]=2 833 B12R1.125 CC1CCCCC1OCC(=O)O MCULE-2149192016 [1,1,0,0,0,0|1,0,0]=3 834 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-2264327508 [1,1,0,0,0,0|1,0,0]=3 835 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-6515087928 [1,1,0,0,0,0|1,0,0]=3 836 B12R1.125 CC1CNCCC1CCC(=O)O MCULE-8609285846 [1,1,0,0,0,0|1,0,0]=3 837 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-7324723252 [1,1,0,0,0,0|1,0,0]=3 838 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-8814910063 [1,1,0,0,0,0|1,0,0]=3 839 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-6538296828 [1,1,0,0,0,0|0,0,0]=2 840 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-9802411985 [1,1,0,0,0,0|0,0,0]=2 841 B12R1.125 O=C(O)CCC1CCCCC1=O MCULE-4224119563 [1,1,0,0,0,0|0,0,1]=3 842 B12R1.125 O=C(O)CCN1CCCCC1=O MCULE-6569100258 [1,1,0,0,0,0|1,0,1]=4 843 B12R1.125 O=C(O)CSC1CCCCC1O MCULE-9209996677 [1,1,0,0,0,0|1,0,0]=3 844 B12R1.226 CC1CCCC(C1)OCC(=O)O MCULE-3536391684 [1,1,0,0,0,0|1,0,0]=3 845 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-1932078578 [1,1,0,0,0,0|1,0,0]=3 846 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-5507374908 [1,1,0,0,0,0|1,0,0]=3 847 B12R1.226 CN1CCCC(C1)CCC(=O)O MCULE-3500988064 [1,1,0,0,0,0|1,0,0]=3 848 B12R1.226 CN1CCCC(C1)CCC(=O)O MCULE-8728115483 [1,1,0,0,0,0|1,0,0]=3 849 B12R1.226 CN1CCCC(C1)NCC(=O)O MCULE-6721661189 [1,1,0,0,0,0|2,0,0]=4 850 B12R1.226 CN1CCCC(C1)OCC(=O)O MCULE-6639864622 [1,1,0,0,0,0|2,0,0]=4 851 B12R1.226 CN1CCC[C@@H](C1)NCC(=O)O MCULE-3675830850 [1,1,0,0,0,0|2,0,0]=4 852 B12R1.226 CN1CCC[C@@H](C1)OCC(=O)O MCULE-2069209067 [1,1,0,0,0,0|2,0,0]=4 853 B12R1.226 CN1CCC[C@H](C1)NCC(=O)O MCULE-9295632716 [1,1,0,0,0,0|2,0,0]=4 854 B12R1.226 CN1CCC[C@H](C1)OCC(=O)O MCULE-1022208079 [1,1,0,0,0,0|2,0,0]=4 855 B12R1.226 NC1CCCC(C1)CCC(=O)O MCULE-1427868111 [1,1,0,0,0,0|0,0,0]=2 856 B12R1.226 O=C(O)CCC1CCCC(=O)N1 MCULE-3373923105 [1,1,0,0,0,0|1,0,1]=4 857 B12R1.891 NS(=O)(=O)CCC1CCCCC1 MCULE-2360578309 [1,1,0,0,0,0|1,0,1]=4 858 B12R1.891 O=S(=O)(Cl)CCC1CCCCC1 MCULE-1325872536 [1,1,0,0,0,0|1,0,1]=4 859 B12R1.891 O=S(=O)(O)CCC1CCNCC1 MCULE-5986223279 [1,1,0,0,0,0|2,0,0]=4 860 B12R1.3110 CC(=O)NCC1(CCCCC1)N MCULE-6978852027 [1,1,0,0,0,0|2,0,0]=4 861 B12R1.3110 CC(=O)NCC1(CCCCC1)N MCULE-7572327873 [1,1,0,0,0,0|2,0,0]=4 862 B12R1.3110 CC1(CCCCC1)CCC(=O)O MCULE-4030655928 [1,1,0,0,0,0|0,0,0]=2 863 B12R1.3110 CC1(CCOCC1)OCC(=O)O MCULE-9546718249 [1,1,0,0,0,0|2,0,0]=4 864 B12R1.3110 NC1(CCCCC1)CCC(=O)O MCULE-7944829065 [1,1,0,0,0,0|0,0,0]=2 865 B12R1.3110 NC1(CCCCC1)CCC(=O)O MCULE-8909515747 [1,1,0,0,0,0|0,0,0]=2 866 B12R1.3110 O=C(O)C#CC1(CCCCC1)O MCULE-9539141010 [1,1,0,0,0,0|0,0,2]=4 867 B12R1.108 COC(=O)C(Br)CC1CCCC1 MCULE-2551041466 [0,1,0,0,1,0|1,0,0]=3 868 B12R1.108 COC(=O)C(C)CN1CCCC1 MCULE-3837958432 [0,1,0,0,1,0|2,0,0]=4 869 B12R1.108 COC(=O)C(N)CC1CCCC1 MCULE-4151298811 [0,1,0,0,1,0|0,0,0]=2 870 B12R1.108 COC(=O)C(N)CC1CCCC1 MCULE-8301327511 [0,1,0,0,1,0|0,0,0]=2 871 B12R1.108 COC(=O)C(N)CC1CCCO1 MCULE-1142223040 [0,1,0,0,1,0|1,0,0]=3 872 B12R1.108 COC(=O)C(N)CN1CCCC1 MCULE-7849800536 [0,1,0,0,1,0|1,0,0]=3 873 B12R1.108 COC(=O)C(N)CN1CCCC1 MCULE-8052124244 [0,1,0,0,1,0|1,0,0]=3 874 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 MCULE-2992259182 [0,1,0,0,1,0|0,0,0]=2 875 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 MCULE-3418415676 [0,1,0,0,1,0|0,0,0]=2 876 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 MCULE-3537318005 [0,1,0,0,1,0|0,0,0]=2 877 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 MCULE-7301397661 [0,1,0,0,1,0|0,0,0]=2 878 B12R1.108 COC(=O)[C@H](N)CC1CCCC1 MCULE-1131423480 [0,1,0,0,1,0|0,0,0]=2 879 B12R1.108 COC(=O)[C@H](N)CC1CCCC1 MCULE-2878471737 [0,1,0,0,1,0|0,0,0]=2 880 B12R1.108 COC(=O)[C@H](N)CC1CCCC1 MCULE-3995959600 [0,1,0,0,1,0|0,0,0]=2 881 B12R1.108 COC(=O)[C@H](N)CC1CCCC1 MCULE-7301463211 [0,1,0,0,1,0|0,0,0]=2 882 B12R1.298 CCC(CC1CCCC1)C(=O)O MCULE-1144684182 [0,1,0,0,1,0|1,0,0]=3 883 B12R1.298 CCC(OC1CCCC1)C(=O)O MCULE-1215336631 [0,1,0,0,1,0|2,0,0]=4 884 B12R1.298 NCC(CC1CCCC1)C(=O)O MCULE-5359985702 [0,1,0,0,1,0|0,0,0]=2 885 B12R1.298 NCC(CC1CCCC1)C(=O)O MCULE-8170771609 [0,1,0,0,1,0|0,0,0]=2 886 B12R1.298 O=C(O)[C@@H](CO)CC1CCCC1 MCULE-8207399383 [0,1,0,0,1,0|1,0,0]=3 887 B12R1.1373 CC(C)(CN1CCCC1)C(=O)O MCULE-4813559365 [0,1,0,0,1,0|2,0,0]=4 888 B12R1.1373 CC(C)(CN1CCCC1)C(=O)O MCULE-5005065352 [0,1,0,0,1,0|2,0,0]=4 889 B12R1.1373 CC(F)(CC1CCCC1)C(=O)O MCULE-1799624430 [0,1,0,0,1,0|1,0,0]=3 890 B12R1.20 CC(C(=O)O)N1CCC(CC1)N MCULE-2459466800 [0,1,0,0,1,0|2,0,0]=4 891 B12R1.20 CC(C(=O)O)N1CCC(CC1)N MCULE-4983424395 [0,1,0,0,1,0|2,0,0]=4 892 B12R1.20 CC(C(=O)O)N1CCC(CC1)O MCULE-7722554647 [0,1,0,0,1,0|2,0,0]=4 893 B12R1.20 CC(C(=O)O)N1CCC(CC1)O MCULE-8844133532 [0,1,0,0,1,0|2,0,0]=4 894 B12R1.20 CC1CCC(CC1)C(N)C(=O)O MCULE-9697057297 [0,1,0,0,1,0|0,0,0]=2 895 B12R1.20 CC1CCN(CC1)C(C)C(=O)O MCULE-3895544482 [0,1,0,0,1,0|2,0,0]=4 896 B12R1.20 CC1CCN(CC1)C(C)C(=O)O MCULE-8130125685 [0,1,0,0,1,0|2,0,0]=4 897 B12R1.20 CN(C(=O)O)[C@H]1CC[C@@H](CC1)O MCULE-2194356641 [0,1,0,0,1,0|2,0,0]=4 898 B12R1.20 NC(C(=O)O)C1CCC(CC1)O MCULE-3555748677 [0,1,0,0,1,0|0,0,0]=2 899 B12R1.124 CC1CCCCN1C(C)C(=O)O MCULE-2732233941 [0,1,0,0,1,0|2,0,0]=4 900 B12R1.225 CC1CCCC(C1)C(N)C(=O)O MCULE-7804039697 [0,1,0,0,1,0|0,0,0]=2 901 B12R1.225 CC1CCCN(C1)C(C)C(=O)O MCULE-4406041140 [0,1,0,0,1,0|2,0,0]=4 902 B12R1.253 CC(C)(C(=O)O)C1CCCCC1 MCULE-8377291972 [0,1,0,0,1,0|1,0,0]=3 903 B12R1.253 CC(C)(C(=O)O)C1CCCCO1 MCULE-2200840458 [0,1,0,0,1,0|2,0,0]=4 904 B12R1.253 CC(C)(C(=O)O)C1CCCNC1 MCULE-2859276413 [0,1,0,0,1,0|2,0,0]=4 905 B12R1.253 CC(C)(C(=O)O)C1CCCNC1 MCULE-7351017445 [0,1,0,0,1,0|2,0,0]=4 906 B12R1.253 CC(C)(C(=O)O)C1CCNCC1 MCULE-1348706895 [0,1,0,0,1,0|2,0,0]=4 907 B12R1.253 CC(C)(C(=O)O)C1CCNCC1 MCULE-7849376375 [0,1,0,0,1,0|2,0,0]=4 908 B12R1.253 CC(C)(C(=O)O)C1CCOCC1 MCULE-1006776755 [0,1,0,0,1,0|2,0,0]=4 909 B12R1.253 CC(C)(C(=O)O)N1CCCCC1 MCULE-6124403879 [0,1,0,0,1,0|2,0,0]=4 910 B12R1.253 CC(C)(C(=O)O)N1CCCCC1 MCULE-9509688671 [0,1,0,0,1,0|2,0,0]=4 911 B12R1.253 CC(N)(C(=O)O)C1CCCCC1 MCULE-5578021534 [0,1,0,0,1,0|0,0,0]=2 912 B12R1.253 CC(O)(C(=O)O)C1CCOCC1 MCULE-4652597921 [0,1,0,0,1,0|2,0,0]=4 913 B12R1.253 O=C(O)C(F)(F)C1CCCCC1 MCULE-5884864447 [0,1,0,0,1,0|1,0,0]=3 914 B12R1.253 O=C(O)C(F)(F)C1CCCCN1 MCULE-2415825826 [0,1,0,0,1,0|2,0,0]=4 915 B12R1.253 O=C(O)C(F)(F)C1CCCCN1 MCULE-9353673769 [0,1,0,0,1,0|2,0,0]=4 916 B12R1.253 O=C(O)C(F)(F)C1CCOCC1 MCULE-6525109642 [0,1,0,0,1,0|2,0,0]=4 917 B12R1.478 CCC(C(=O)O)C1CCCCC1 MCULE-4623551759 [0,1,0,0,1,0|1,0,0]=3 918 B12R1.478 CCC(C(=O)O)C1CCNCC1 MCULE-2702141761 [0,1,0,0,1,0|2,0,0]=4 919 B12R1.478 CCC(C(=O)O)C1CCNCC1 MCULE-4938530329 [0,1,0,0,1,0|2,0,0]=4 920 B12R1.478 CCC(C(=O)O)C1CCOCC1 MCULE-7358542123 [0,1,0,0,1,0|2,0,0]=4 921 B12R1.478 CCC(C(=O)O)N1CCCCC1 MCULE-7163390837 [0,1,0,0,1,0|2,0,0]=4 922 B12R1.478 CCC(C(=O)O)N1CCCCC1 MCULE-7454277150 [0,1,0,0,1,0|2,0,0]=4 923 B12R1.478 CNC(C(=O)O)C1CCCCC1 MCULE-2663893110 [0,1,0,0,1,0|0,0,0]=2 924 B12R1.478 COC(C(=O)O)C1CCCCC1 MCULE-1716352317 [0,1,0,0,1,0|1,0,0]=3 925 B12R1.478 COC(C(=O)O)C1CCCOC1 MCULE-3896160435 [0,1,0,0,1,0|2,0,0]=4 926 B12R1.478 COC(C(=O)O)C1CCOCC1 MCULE-1807450595 [0,1,0,0,1,0|2,0,0]=4 927 B12R1.478 CO[C@H](C(=O)O)C1CCOCC1 MCULE-5641444592 [0,1,0,0,1,0|2,0,0]=4 928 B12R1.478 NCC(C(=O)N)N1CCCCC1 MCULE-1633098590 [0,1,0,0,1,0|2,0,0]=4 929 B12R1.478 NCC(C(=O)O)C1CCCCC1 MCULE-1663437445 [0,1,0,0,1,0|0,0,0]=2 930 B12R1.478 NCC(C(=O)O)C1CCOCC1 MCULE-6928043811 [0,1,0,0,1,0|1,0,0]=3 931 B12R1.478 NCC(C(=O)O)C1CCOCC1 MCULE-9362433747 [0,1,0,0,1,0|1,0,0]=3 932 B12R1.478 NCC(C(=O)O)N1CCCCC1 MCULE-5988731024 [0,1,0,0,1,0|1,0,0]=3 933 B12R1.478 NCC(C(=O)O)N1CCOCC1 MCULE-2133844881 [0,1,0,0,1,0|2,0,0]=4 934 B12R1.2206 CC1(CCCCC1)C(N)C(=O)O MCULE-2644000632 [0,1,0,0,1,0|0,0,0]=2 935 B12R1.2206 CC1(CCCCC1)C(N)C(=O)O MCULE-4411912767 [0,1,0,0,1,0|0,0,0]=2 936 B14R1.743 COC(=O)CC(N)CC1CCCCC1 MCULE-6859422924 [0,1,0,0,0,1|0,0,0]=2 937 B14R1.743 COC(=O)CC(N)CC1CCCCC1 MCULE-9080902074 [0,1,0,0,0,1|0,0,0]=2 938 B14R1.1485 CC(C)(CC(=O)O)CN1CCCCC1 MCULE-1795898723 [0,1,0,0,0,1|2,0,0]=4 939 B14R1.415 CC(NC(=O)C1CCCCC1)C(=O)O MCULE-3524379546 [0,1,0,0,0,1|1,0,1]=4 940 B14R1.415 C[C@H](NC(=O)C1CCCCC1)C(=O)O MCULE-9220818468 [0,1,0,0,0,1|1,0,1]=4 941 B14R1.756 CNC(=O)C(N)CCC1CCCCC1 MCULE-9567871426 [0,1,0,0,0,1|1,0,0]=3 942 B14R1.756 CNC(=O)[C@@H](N)CCC1CCCCC1 MCULE-5096710215 [0,1,0,0,0,1|1,0,0]=3 943 B14R1.756 COC(=O)C(C)CNC1CCCCC1 MCULE-2624847747 [0,1,0,0,0,1|1,0,0]=3 944 B14R1.756 COC(=O)C(N)CCC1CCCCC1 MCULE-8612574002 [0,1,0,0,0,1|0,0,0]=2 945 B14R1.756 COC(=O)C(N)CCC1CCOCC1 MCULE-4386467805 [0,1,0,0,0,1|1,0,0]=3 946 B14R1.756 COC(=O)C(N)CCC1CCOCC1 MCULE-6148985547 [0,1,0,0,0,1|1,0,0]=3 947 B14R1.756 COC(=O)C(N)CCN1CCCCC1 MCULE-6125310229 [0,1,0,0,0,1|1,0,0]=3 948 B14R1.756 COC(=O)C(N)CCN1CCCCC1 MCULE-9885920466 [0,1,0,0,0,1|1,0,0]=3 949 B14R1.756 COC(=O)C(N)CSC1CCCCO1 MCULE-2833256435 [0,1,0,0,0,1|1,0,0]=3 950 B14R1.756 COC(=O)C(N)CSC1CCCCO1 MCULE-4846854566 [0,1,0,0,0,1|1,0,0]=3 951 B14R1.2861 COC(=O)C(C)CN1CCCCCC1 MCULE-2566478619 [0,1,0,0,0,1|2,0,0]=4 952 B14R1.2861 COC(=O)C(C)CN1CCCCCC1 MCULE-3947018166 [0,1,0,0,0,1|2,0,0]=4 953 B14R1.134 COC(=O)C(C)CN1CCC(CC1)C MCULE-9817157960 [0,2,0,0,0,0|2,0,0]=4 954 B14R1.134 COC(=O)C(N)CC1CCN(CC1)C MCULE-9131260952 [0,2,0,0,0,0|1,0,0]=3 955 B14R1.16793 CC(CC1CCC(CC1)(F)F)C(=O)O MCULE-2695208918 [0,2,0,0,0,0|1,0,0]=3 956 B14R1.16793 NC(CC1CCC(CC1)(F)F)C(=O)O MCULE-2929106481 [0,2,0,0,0,0|0,0,0]=2 957 B14R1.16793 NC(CC1CCC(CC1)(F)F)C(=O)O MCULE-2994407688 [0,2,0,0,0,0|0,0,0]=2 958 B14R1.16793 NC(CC1CCC(CC1)(F)F)C(=O)O MCULE-7429575460 [0,2,0,0,0,0|0,0,0]=2 959 B14R1.16793 NC(CC1CCC(CC1)(F)F)C(=O)O MCULE-9287498084 [0,2,0,0,0,0|0,0,0]=2 960 B14R1.16793 N[C@@H](CC1CCC(CC1)(F)F)C(=O)O MCULE-2511244417 [0,2,0,0,0,0|0,0,0]=2 961 B14R1.16793 N[C@@H](CC1CCC(CC1)(F)F)C(=O)O MCULE-6298063833 [0,2,0,0,0,0|0,0,0]=2 962 B14R1.16793 N[C@@H](CC1CCC(CC1)(F)F)C(=O)O MCULE-6459657511 [0,2,0,0,0,0|0,0,0]=2 963 B14R1.16793 N[C@@H](CC1CCC(CC1)(F)F)C(=O)O MCULE-7391348809 [0,2,0,0,0,0|0,0,0]=2 964 B14R1.16793 N[C@H](CC1CCC(CC1)(F)F)C(=O)O MCULE-1576435828 [0,2,0,0,0,0|0,0,0]=2 965 B14R1.16793 N[C@H](CC1CCC(CC1)(F)F)C(=O)O MCULE-2319326419 [0,2,0,0,0,0|0,0,0]=2 966 B14R1.60 CCOC(=O)C(C)CC1CCCCC1 MCULE-1994725623 [0,2,0,0,0,0|1,0,0]=3 967 B14R1.60 CCOC(=O)C(C)CC1CCNCC1 MCULE-3952254648 [0,2,0,0,0,0|2,0,0]=4 968 B14R1.60 CCOC(=O)C(C)CC1CCOCC1 MCULE-2909278952 [0,2,0,0,0,0|2,0,0]=4 969 B14R1.60 CCOC(=O)C(F)CC1CCCCC1 MCULE-2889946760 [0,2,0,0,0,0|1,0,0]=3 970 B14R1.60 CCOC(=O)C(N)CC1CCCCC1 MCULE-9013407471 [0,2,0,0,0,0|0,0,0]=2 971 B14R1.60 CCOC(=O)C(N)CC1CCCCC1 MCULE-9255544555 [0,2,0,0,0,0|0,0,0]=2 972 B14R1.60 CCOC(=O)C(N)CC1CCCCO1 MCULE-6512658967 [0,2,0,0,0,0|1,0,0]=3 973 B14R1.60 CCOC(=O)[C@@H](N)CC1CCCCC1 MCULE-3235028600 [0,2,0,0,0,0|0,0,0]=2 974 B14R1.60 CCOC(=O)[C@@H](N)CC1CCCCC1 MCULE-6465724342 [0,2,0,0,0,0|0,0,0]=2 975 B14R1.1007 COC(=O)C(C)CC1CCCCC1=O MCULE-3399110442 [0,2,0,0,0,0|1,0,1]=4 976 B14R1.1007 COC(=O)C(N)CC1CCCNC1=O MCULE-8749104203 [0,2,0,0,0,0|1,0,1]=4 977 B14R1.1007 COC(=O)C(N)CC1CCCNC1=O MCULE-9351715815 [0,2,0,0,0,0|1,0,1]=4 978 B14R1.1007 COC(=O)[C@@H](N)C[C@@H]1CCCNC1=O MCULE-2894311144 [0,2,0,0,0,0|1,0,1]=4 979 B14R1.1007 COC(=O)[C@@H](N)C[C@@H]1CCCNC1=O MCULE-4864932794 [0,2,0,0,0,0|1,0,1]=4 980 B14R1.1007 COC(=O)[C@@H](N)C[C@@H]1CCCNC1=O MCULE-7029920417 [0,2,0,0,0,0|1,0,1]=4 981 B14R1.1007 COC(=O)[C@@H](N)C[C@@H]1CCCNC1=O MCULE-9764590129 [0,2,0,0,0,0|1,0,1]=4 982 B14R1.1031 COC(=O)C(CN)CC1CCOCC1 MCULE-4299591986 [0,2,0,0,0,0|1,0,0]=3 983 B14R1.1031 COC(=O)C(CN)CC1CCOCC1 MCULE-4450099110 [0,2,0,0,0,0|1,0,0]=3 984 B14R1.1107 COC(=O)C(C)(C)CC1CCCCC1 MCULE-2112319818 [0,2,0,0,0,0|1,0,0]=3 985 B14R1.542 CCC(OC1CCCC(C1)C)C(=O)O MCULE-9933251634 [0,2,0,0,0,0|2,0,0]=4 986 B14R1.980 CCCC(CC1CCCCC1)C(=O)O MCULE-6923742905 [0,2,0,0,0,0|1,0,0]=3 987 B14R1.4513 CC(C)C(CC1CCCCC1)C(=O)O MCULE-9991813044 [0,2,0,0,0,0|1,0,0]=3 988 B14R1.4513 CN(C)[C@@H](CC1CCCCC1)C(=O)O MCULE-7207351582 [0,2,0,0,0,0|0,0,0]=2 989 B12R1.279 CCCC1CC(CCO1)C(=O)O MCULE-6136659670 [0,0,1,1,0,0|2,0,0]=4 990 B12R1.279 CCCN1CCCC(C1)C(=O)O MCULE-7817334936 [0,0,1,1,0,0|2,0,0]=4 991 B12R1.279 CCCN1CCCC(C1)C(=O)O MCULE-9739658494 [0,0,1,1,0,0|2,0,0]=4 992 B12R1.626 COC1CCCCC(C1)C(=O)O MCULE-7462960246 [0,0,1,1,0,0|2,0,0]=4 993 B12R1.1405 COC(CC(N)C(=O)O)C1CC1 MCULE-1422888646 [0,0,1,1,0,0|1,0,0]=3 994 B12R1.1960 CCN1CCCC(C1)(C)C(=O)O MCULE-2351361710 [0,0,1,1,0,0|2,0,0]=4 995 B12R1.1960 CCN1CCCC(C1)(C)C(=O)O MCULE-7150492585 [0,0,1,1,0,0|2,0,0]=4 996 B12R1.3849 COC1(CCC1)CC(N)C(=O)O MCULE-5793487669 [0,0,1,1,0,0|1,0,0]=3 997 B12R1.264 NC(CCC1OCCO1)C(=O)O MCULE-3069534908 [0,0,1,1,0,0|2,0,0]=4 998 B12R1.264 NC(CCN1CCCC1)C(=O)O MCULE-2409569180 [0,0,1,1,0,0|1,0,0]=3 999 B12R1.337 CCCCC1NC(CS1)C(=O)O MCULE-3670233740 [0,0,1,1,0,0|1,0,0]=3 1000 B12R1.337 CSCCC1NC(CS1)C(=O)O MCULE-3846304676 [0,0,1,1,0,0|2,0,0]=4 1001 B12R1.1385 NC1(CCCCCCC1)C(=O)O MCULE-6266027658 [0,0,1,1,0,0|0,0,0]=2 1002 B12R1.2197 C(N)(C(=O)O)C1CCCCCC1 MCULE-6964253676 [0,0,1,1,0,0|0,0,0]=2 1003 B12R1.2197 CC(C(=O)O)N1CCCCCC1 MCULE-2902696136 [0,0,1,1,0,0|2,0,0]=4 1004 B12R1.2197 CC(C(=O)O)N1CCCCCC1 MCULE-9930977486 [0,0,1,1,0,0|2,0,0]=4 1005 B12R1.2197 NC(C(=O)O)C1CCCCCC1 MCULE-6624049364 [0,0,1,1,0,0|0,0,0]=2 1006 B12R1.2197 NC(C(=O)O)C1CCCCCC1 MCULE-8004618459 [0,0,1,1,0,0|0,0,0]=2 1007 B12R1.2197 N[C@@H](C(=O)O)C1CCCCCC1 MCULE-1678135453 [0,0,1,1,0,0|0,0,0]=2 1008 B12R1.2197 N[C@@H](C(=O)O)C1CCCCCC1 MCULE-4899000866 [0,0,1,1,0,0|0,0,0]=2 1009 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 MCULE-4407848265 [0,0,1,1,0,0|0,0,0]=2 1010 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 MCULE-5410436039 [0,0,1,1,0,0|0,0,0]=2 1011 B12R1.2197 O=C(O)C(O)C1CCCCCC1 MCULE-8206008473 [0,0,1,1,0,0|1,0,0]=3 1012 B12R1.897 CC1CCC(N1C(C)C(=O)O)C MCULE-9251482063 [0,0,1,1,0,0|2,0,0]=4 1013 B12R2.18 NC1CC2CCCCN2C1=O MCULE-2295676222 [1,0,0,1,0,0|1,0,0]=3 1014 B12R2.18 NC1CC2CCCCN2C1=O MCULE-8697120383 [1,0,0,1,0,0|1,0,0]=3 1015 B12R2.24 NC1CCC2CCCCC2C1 MCULE-7370221449 [1,0,0,1,0,0|1,0,1]=4 1016 B12R2.27 OC[C@@H]1O[C@H]1C2CCCCC2 MCULE-4373517260 [1,0,0,1,0,0|1,0,1]=4 1017 B12R2.1772 O=CC1CC2(C1)CCOCC2 MCULE-2736874952 [1,0,0,1,0,0|2,0,0]=4 1018 B12R2.1772 OCC1CC2(C1)CCCCC2 MCULE-5384840811 [1,0,0,1,0,0|1,0,1]=4 1019 B12R2.2918 NC1COC2(C1)CCCCC2 MCULE-4123116637 [1,0,0,1,0,0|0,0,1]=3 1020 B12R2.2918 NC1COC2(C1)CCCCC2 MCULE-6478708646 [1,0,0,1,0,0|0,0,1]=3 1021 B12R2.4133 NC1(CN2CCC1CC2)CO MCULE-5746180243 [1,0,0,1,0,0|1,0,1]=4 1022 B12R2.22 O=C1CC(C1)C2CCCCC2 MCULE-8479383540 [1,0,0,1,0,0|1,0,0]=3 1023 B12R2.22 O=C1CC(C1)C2CCOCC2 MCULE-5710758476 [1,0,0,1,0,0|2,0,0]=4 1024 B12R2.250 NC(=O)C1OC12CCCCC2 MCULE-9044385023 [1,0,0,1,0,0|2,0,0]=4 1025 B12R2.250 O=C(O)C1CC12CCCCC2 MCULE-2503310018 [1,0,0,1,0,0|0,0,0]=2 1026 B12R2.250 O=C(O)C1CC12CCCNC2 MCULE-1681266618 [1,0,0,1,0,0|1,0,0]=3 1027 B12R2.250 O=C(O)C1CC12CCCNC2 MCULE-3549112122 [1,0,0,1,0,0|1,0,0]=3 1028 B12R2.250 O=C(O)C1CC12CCCOC2 MCULE-7358515114 [1,0,0,1,0,0|1,0,0]=3 1029 B12R2.250 O=C(O)C1CC12CCNCC2 MCULE-3702584189 [1,0,0,1,0,0|1,0,0]=3 1030 B12R2.250 O=C(O)C1CC12CCNCC2 MCULE-8315679139 [1,0,0,1,0,0|1,0,0]=3 1031 B12R2.250 O=C(O)C1CC12CCOCC2 MCULE-1128195301 [1,0,0,1,0,0|1,0,0]=3 1032 B12R2.250 O=C(O)C1CC12CCOCC2 MCULE-4318104876 [1,0,0,1,0,0|1,0,0]=3 1033 B12R2.250 O=C(O)C1CC12CCSCC2 MCULE-1978392203 [1,0,0,1,0,0|1,0,0]=3 1034 B12R2.250 O=C(O)C1OC12CCCCC2 MCULE-8536739574 [1,0,0,1,0,0|1,0,0]=3 1035 B12R2.250 O=C(O)[C@@H]1CC12CCOCC2 MCULE-3036385474 [1,0,0,1,0,0|1,0,0]=3 1036 B12R2.250 O=C(O)[C@@H]1CC12CCOCC2 MCULE-9402406943 [1,0,0,1,0,0|1,0,0]=3 1037 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 MCULE-4473969470 [1,0,0,1,0,0|1,0,0]=3 1038 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 MCULE-5930090560 [1,0,0,1,0,0|1,0,0]=3 1039 B12R2.1367 O=C(O)CN1C2CCC1CC2 MCULE-1481808214 [1,0,0,1,0,0|1,0,0]=3 1040 B12R2.1392 CC(=O)C1CC2CCC1CC2 MCULE-5557212745 [1,0,0,1,0,0|1,0,0]=3 1041 B12R2.1392 CC(O)C1CC2CCC1CC2 MCULE-5936452265 [1,0,0,1,0,0|1,0,1]=4 1042 B12R2.1392 NC(=O)C1CC2CCC1CC2 MCULE-5952869838 [1,0,0,1,0,0|1,0,0]=3 1043 B12R2.1392 O=C(O)C1CC2C=CC1CC2 MCULE-5624348400 [1,0,0,1,0,0|0,0,2]=4 1044 B12R2.1392 O=C(O)C1CC2CCC1CC2 MCULE-2962671213 [1,0,0,1,0,0|0,0,0]=2 1045 B12R2.1392 O=C(O)C1CC2CCC1CC2 MCULE-3818372379 [1,0,0,1,0,0|0,0,0]=2 1046 B12R2.1392 O=C(O)C1CC2CCC1NC2 MCULE-1236415863 [1,0,0,1,0,0|1,0,0]=3 1047 B12R2.1392 O=C(O)C1CC2CCC1NC2 MCULE-6859105489 [1,0,0,1,0,0|1,0,0]=3 1048 B12R2.1392 O=C(O)C1CC2CCN1CC2 MCULE-2932848984 [1,0,0,1,0,0|1,0,0]=3 1049 B12R2.1392 O=C(O)C1CC2CCN1CC2 MCULE-7612344271 [1,0,0,1,0,0|1,0,0]=3 1050 B12R2.1392 O=C(O)C1CC2CCN1CC2 MCULE-9044388786 [1,0,0,1,0,0|1,0,0]=3 1051 B12R2.1392 O=C(O)C1CC2CCN1CC2 MCULE-9459659957 [1,0,0,1,0,0|1,0,0]=3 1052 B12R2.1392 O=C(O)C1CN2CCC1CC2 MCULE-4064016827 [1,0,0,1,0,0|1,0,0]=3 1053 B12R2.1392 O=C(O)C1CN2CCC1CC2 MCULE-6075389298 [1,0,0,1,0,0|1,0,0]=3 1054 B12R2.1392 O=C(O)C1CN2CCN1CC2 MCULE-5187988179 [1,0,0,1,0,0|2,0,0]=4 1055 B12R2.1392 O=C(O)C1CN2CCN1CC2 MCULE-5971881327 [1,0,0,1,0,0|2,0,0]=4 1056 B12R2.1392 O=C(O)C1NC2CCC1CC2 MCULE-3569236190 [1,0,0,1,0,0|1,0,0]=3 1057 B12R2.1392 O=C(O)C1NC2CCC1CC2 MCULE-9158864070 [1,0,0,1,0,0|1,0,0]=3 1058 B12R2.1392 O=C(O)[C@@H]1CC2CCC1CC2 MCULE-1144961730 [1,0,0,1,0,0|0,0,0]=2 1059 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 MCULE-5324528450 [1,0,0,1,0,0|1,0,0]=3 1060 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 MCULE-7182963110 [1,0,0,1,0,0|1,0,0]=3 1061 B12R2.1392 O=C(O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 MCULE-3959902732 [1,0,0,1,0,0|0,0,2]=4 1062 B12R2.1392 O=C(O)[C@@H]1NC2CCC1CC2 MCULE-6195686243 [1,0,0,1,0,0|1,0,0]=3 1063 B12R2.1392 O=C(O)[C@@H]1NC2CCC1CC2 MCULE-6946147326 [1,0,0,1,0,0|1,0,0]=3 1064 B12R2.1392 O=C(O)[C@H]1CC2CCC1CC2 MCULE-5079027279 [1,0,0,1,0,0|0,0,0]=2 1065 B12R2.1392 O=C(O)[C@H]1CC2CCC1CC2 MCULE-9891734674 [1,0,0,1,0,0|0,0,0]=2 1066 B12R2.1392 O=C(O)[C@H]1CC2CCN1CC2 MCULE-6239448607 [1,0,0,1,0,0|1,0,0]=3 1067 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 MCULE-1617197931 [1,0,0,1,0,0|1,0,0]=3 1068 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 MCULE-1926890670 [1,0,0,1,0,0|1,0,0]=3 1069 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 MCULE-2445923207 [1,0,0,1,0,0|1,0,0]=3 1070 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 MCULE-4433008686 [1,0,0,1,0,0|1,0,0]=3 1071 B12R2.1392 [C@@H]1(CC2CCN1CC2)C(=O)O MCULE-4249934614 [1,0,0,1,0,0|1,0,0]=3 1072 B12R2.1392 [C@@H]1(CC2CCN1CC2)C(=O)O MCULE-9578754994 [1,0,0,1,0,0|1,0,0]=3 1073 B12R2.1392 [C@@H]1(CC2CCN1CC2)C(=O)O MCULE-9963300684 [1,0,0,1,0,0|1,0,0]=3 1074 B12R2.3190 O=C(O)[C@@H]1C[C@@H]2[C@H]1CNCC2 MCULE-4276510642 [1,0,0,1,0,0|1,0,0]=3 1075 B12R2.3190 O=C(O)[C@@H]1C[C@@H]2[C@H]1CNCC2 MCULE-6673298372 [1,0,0,1,0,0|1,0,0]=3 1076 B12R2.3190 O=C(O)[C@@H]1C[C@@H]2[C@H]1CNCC2 MCULE-9393277411 [1,0,0,1,0,0|1,0,0]=3 1077 B12R2.3190 O=C(O)[C@@H]1C[C@@H]2[C@H]1CNCC2 MCULE-9559569552 [1,0,0,1,0,0|1,0,0]=3 1078 B12R2.252 C1(CC2CCCC2N1)C(=O)O MCULE-7096971572 [0,0,0,1,1,0|0,0,0]=2 1079 B12R2.252 O=C(O)C1CC2CCCC2N1 MCULE-3763733073 [0,0,0,1,1,0|0,0,0]=2 1080 B12R2.252 O=C(O)C1CC2CNCC2C1 MCULE-3791454791 [0,0,0,1,1,0|2,0,0]=4 1081 B12R2.252 O=C(O)C1CC2CNCC2C1 MCULE-5628413984 [0,0,0,1,1,0|2,0,0]=4 1082 B12R2.252 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1 MCULE-4781251814 [0,0,0,1,1,0|0,0,0]=2 1083 B12R2.252 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1 MCULE-6047601364 [0,0,0,1,1,0|0,0,0]=2 1084 B12R2.252 [C@H]1(C[C@@H]2CCC[C@@H]2N1)C(=O)O MCULE-2636067119 [0,0,0,1,1,0|0,0,0]=2 1085 B12R2.252 [C@H]1(C[C@@H]2CCC[C@@H]2N1)C(=O)O MCULE-5744849873 [0,0,0,1,1,0|0,0,0]=2 1086 B12R2.252 [C@H]12CCC[C@H]1NC(C2)C(=O)O MCULE-4955002104 [0,0,0,1,1,0|0,0,0]=2 1087 B12R2.252 [C@H]12CCC[C@H]1NC(C2)C(=O)O MCULE-7093611012 [0,0,0,1,1,0|0,0,0]=2 1088 B12R2.252 [C@H]12CCC[C@H]1N[C@@H](C2)C(=O)O MCULE-6923891117 [0,0,0,1,1,0|0,0,0]=2 1089 B12R2.252 [C@H]12CCC[C@H]1N[C@H](C2)C(=O)O MCULE-9231382973 [0,0,0,1,1,0|0,0,0]=2 1090 B12R2.253 CC(=O)C1CC2CCC(C2)C1 MCULE-6565157847 [0,0,0,1,1,0|2,0,0]=4 1091 B12R2.253 O=C(O)C1CC2CCC(C1)N2 MCULE-4898584624 [0,0,0,1,1,0|2,0,0]=4 1092 B12R2.253 O=C(O)C1CC2CCC(C1)N2 MCULE-8726253951 [0,0,0,1,1,0|2,0,0]=4 1093 B12R2.253 O=C(O)C1CC2CCC(C1)O2 MCULE-4617510506 [0,0,0,1,1,0|2,0,0]=4 1094 B12R2.253 O=C(O)C1CC2CCC(C2)C1 MCULE-1729016821 [0,0,0,1,1,0|1,0,0]=3 1095 B12R2.253 O=C(O)[C@@H]1C[C@@H]2CC[C@H](C1)O2 MCULE-2909105123 [0,0,0,1,1,0|2,0,0]=4 1096 B12R2.253 O=C(O)[C@H]1C[C@@H]2CC[C@H](C1)N2 MCULE-3620349430 [0,0,0,1,1,0|2,0,0]=4 1097 B12R2.253 O=C(O)[C@H]1C[C@@H]2CC[C@H](C1)N2 MCULE-9958120238 [0,0,0,1,1,0|2,0,0]=4 1098 B12R2.1354 O=C(O)C1CC1C2CCCC2 MCULE-3947048694 [0,0,0,1,1,0|1,0,0]=3 1099 B12R2.1360 CC1(CC2CCC1C2)C(=O)O MCULE-5374557832 [0,0,0,1,1,0|1,0,0]=3 1100 B12R2.1360 NC1(CC2CCC1C2)C(=O)O MCULE-9216762478 [0,0,0,1,1,0|0,0,0]=2 1101 B12R2.1360 NC1(CN2CCC1C2)C(=O)O MCULE-2717563869 [0,0,0,1,1,0|1,0,0]=3 1102 B12R2.1360 O=C(O)C1(CC2CCC1C2)O MCULE-7718766921 [0,0,0,1,1,0|1,0,0]=3 1103 B12R2.1360 O=C(O)C1(CC2CCC1O2)Cl MCULE-6852747939 [0,0,0,1,1,0|2,0,0]=4 1104 B12R2.1360 [C@H]12CC[C@H](C1)CC2(N)C(=O)O MCULE-1307446932 [0,0,0,1,1,0|0,0,0]=2 1105 B12R2.1360 [C@H]12CC[C@H](C1)[C@](C2)(N)C(=O)O MCULE-2366211617 [0,0,0,1,1,0|0,0,0]=2 1106 B12R2.1360 [C@H]12CC[C@H](C1)[C@](C2)(N)C(=O)O MCULE-6545266263 [0,0,0,1,1,0|0,0,0]=2 1107 B12R2.3188 O=C(O)C1CC2(C1)CCCC2 MCULE-2377526300 [0,0,0,1,1,0|1,0,0]=3 1108 B12R2.3188 O=C(O)C1CC2(C1)CCCN2 MCULE-1843743856 [0,0,0,1,1,0|2,0,0]=4 1109 B12R2.3188 O=C(O)C1CC2(C1)CCCN2 MCULE-4443253607 [0,0,0,1,1,0|2,0,0]=4 1110 B12R2.3188 O=C(O)C1CC2(C1)CCCO2 MCULE-5645596341 [0,0,0,1,1,0|2,0,0]=4 1111 B12R2.3188 O=C(O)C1CC2(C1)CCOC2 MCULE-8882419502 [0,0,0,1,1,0|2,0,0]=4 1112 B14R2.19 O=C1NC(CO1)CC2CCCCC2 MCULE-2329854021 [0,0,0,1,0,1|1,0,0]=3 1113 B14R2.19 O=C1NC(CO1)CC2CCOCC2 MCULE-1752906099 [0,0,0,1,0,1|2,0,0]=4 1114 B14R2.779 O=C(O)C1CN(C1)C2CCCCC2 MCULE-3593202987 [0,0,0,1,0,1|1,0,0]=3 1115 B14R2.779 O=C(O)C1CN(C1)C2CCNCC2 MCULE-2841351908 [0,0,0,1,0,1|2,0,0]=4 1116 B14R2.779 O=C(O)C1CN(C1)C2CCNCC2 MCULE-8763714913 [0,0,0,1,0,1|2,0,0]=4 1117 B14R2.779 O=C(O)C1CN(C1)C2CCOCC2 MCULE-4982864088 [0,0,0,1,0,1|2,0,0]=4 1118 B14R2.781 O=C(O)C1CC2CCCCC2CN1 MCULE-1360640855 [0,0,0,1,0,1|1,0,0]=3 1119 B14R2.781 O=C(O)C1CC2CCCCC2CN1 MCULE-9727398608 [0,0,0,1,0,1|1,0,0]=3 1120 B14R2.781 O=C(O)C1CCC2CCCCC2C1 MCULE-8769705518 [0,0,0,1,0,1|1,0,0]=3 1121 B14R2.781 O=C(O)C1CCC2CCCCC2N1 MCULE-3477027344 [0,0,0,1,0,1|0,0,0]=2 1122 B14R2.781 O=C(O)C1CCC2CCCCC2N1 MCULE-6787716601 [0,0,0,1,0,1|0,0,0]=2 1123 B14R2.781 O=C(O)[C@@H]1CC2CCCCC2CN1 MCULE-3662294035 [0,0,0,1,0,1|1,0,0]=3 1124 B14R2.781 O=C(O)[C@@H]1CC2CCCCC2CN1 MCULE-4185482156 [0,0,0,1,0,1|1,0,0]=3 1125 B14R2.781 O=C(O)[C@@H]1CC2CCCCC2CN1 MCULE-5228568022 [0,0,0,1,0,1|1,0,0]=3 1126 B14R2.31228 O=C(O)C1CC2(CCCCC2)CN1 MCULE-7541852087 [0,0,0,1,0,1|1,0,0]=3 1127 B14R2.31228 O=C(O)C1CC2(CCCCC2)CN1 MCULE-8507266195 [0,0,0,1,0,1|1,0,0]=3 1128 B14R2.31228 O=C(O)C1CC2(CCOCC2)CN1 MCULE-7015038451 [0,0,0,1,0,1|2,0,0]=4 1129 B14R2.31228 O=C(O)C1CSC2(N1)CCCCC2 MCULE-2109188478 [0,0,0,1,0,1|0,0,0]=2 1130 B14R2.31228 O=C(O)C1CSC2(N1)CCCCC2 MCULE-3899768880 [0,0,0,1,0,1|0,0,0]=2 1131 B14R2.31228 [C@@H]1(CSC2(N1)CCCCC2)C(=O)O MCULE-2944145730 [0,0,0,1,0,1|0,0,0]=2 1132 B14R2.31228 [C@@H]1(CSC2(N1)CCCCC2)C(=O)O MCULE-8488299875 [0,0,0,1,0,1|0,0,0]=2 1133 B14R2.27809 CN1CC2(CCCNCC2)OC1=O MCULE-8212171367 [0,0,0,1,0,1|2,0,0]=4 1134 B14R2.29199 O=C1CCC2(CC1)CC(C2)C(=O)O MCULE-8501061021 [0,1,0,1,0,0|1,0,1]=4 1135 B14R2.958 COC(=O)C1CN1C2CCCCC2 MCULE-8661978044 [0,1,0,1,0,0|2,0,0]=4 1136 B14R2.969 C12CCC[C@H](N1)CC(C2)C(=O)OC MCULE-3849610872 [0,1,0,1,0,0|2,0,0]=4 1137 B14R2.969 C12CCC[C@H](N1)CC(C2)C(=O)OC MCULE-7834906433 [0,1,0,1,0,0|2,0,0]=4 1138 B14R2.969 COC(=O)C1CC2CCCC(C1)N2 MCULE-2284060156 [0,1,0,1,0,0|2,0,0]=4 1139 B14R2.969 COC(=O)C1CC2CCCC(C1)N2 MCULE-3379239500 [0,1,0,1,0,0|2,0,0]=4 1140 B14R2.969 COC(=O)C1C[C@@H]2CCC[C@@H](C1)N2 MCULE-1535447495 [0,1,0,1,0,0|2,0,0]=4 1141 B14R2.969 COC(=O)C1C[C@@H]2CCC[C@@H](C1)N2 MCULE-9806254883 [0,1,0,1,0,0|2,0,0]=4 1142 B14R2.969 [C@@H]12CCC[C@@H](N1)C[C@H](C2)C(=O)OC MCULE-4754832967 [0,1,0,1,0,0|2,0,0]=4 1143 B14R2.969 [C@@H]12CCC[C@@H](N1)C[C@H](C2)C(=O)OC MCULE-5787213620 [0,1,0,1,0,0|2,0,0]=4 1144 B14R2.972 COC(=O)C1CC2CCCCC2N1 MCULE-1581378691 [0,1,0,1,0,0|0,0,0]=2 1145 B14R2.972 COC(=O)C1CC2CCCCC2N1 MCULE-4293446545 [0,1,0,1,0,0|0,0,0]=2 1146 B14R2.972 COC(=O)C1CC2CCCCC2O1 MCULE-5081011764 [0,1,0,1,0,0|1,0,0]=3 1147 B14R2.972 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-1829119846 [0,1,0,1,0,0|0,0,0]=2 1148 B14R2.972 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-2025967698 [0,1,0,1,0,0|0,0,0]=2 1149 B14R2.972 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-2580188992 [0,1,0,1,0,0|0,0,0]=2 1150 B14R2.972 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-6170604796 [0,1,0,1,0,0|0,0,0]=2 1151 B14R2.34770 COC(=O)C1(CN2CCC1CC2)N MCULE-6440296487 [0,1,0,1,0,0|1,0,0]=3 1152 B14R2.34770 COC(=O)C1(CN2CCC1CC2)O MCULE-8116806973 [0,1,0,1,0,0|2,0,0]=4 1153 B14R2.35302 COC(=O)C1CC2(C1)CCNCC2 MCULE-4589544277 [0,1,0,1,0,0|2,0,0]=4 1154 B14R2.35302 COC(=O)C1CC2(C1)CCNCC2 MCULE-7369818464 [0,1,0,1,0,0|2,0,0]=4 1155 B14R2.53710 NC1CCOC2(C1)CC(C2)C(=O)O MCULE-2782851441 [0,1,0,1,0,0|2,0,0]=4 1156 B14R2.53710 NC1CCOC2(C1)CC(C2)C(=O)O MCULE-3321967754 [0,1,0,1,0,0|2,0,0]=4 1157 B14R2.53710 NC1CCSC2(C1)CC(C2)C(=O)O MCULE-1441872063 [0,1,0,1,0,0|2,0,0]=4 1158 B14R2.53710 NC1CCSC2(C1)CC(C2)C(=O)O MCULE-4846455226 [0,1,0,1,0,0|2,0,0]=4 1159 B14R2.450 CN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O MCULE-6517056240 [0,1,0,1,0,0|0,0,0]=2 1160 B14R2.780 O=C(O)C1CCN1C2CCCCC2 MCULE-3289973100 [0,1,0,1,0,0|2,0,0]=4 1161 B14R2.789 CC1(CC2CCCCC2N1)C(=O)O MCULE-3074318992 [0,1,0,1,0,0|0,0,0]=2 1162 B14R2.789 C[C@]1(CC2CCCCC2N1)C(=O)O MCULE-4632722538 [0,1,0,1,0,0|0,0,0]=2 1163 B14R2.789 C[C@]1(CC2CCCCC2N1)C(=O)O MCULE-5375561051 [0,1,0,1,0,0|0,0,0]=2 1164 B14R2.5983 C1(CC2CCCC(C1)C2=O)C(=O)O MCULE-4925971656 [0,1,0,1,0,0|1,0,1]=4 1165 B14R2.5983 O=C(O)C1CC2CCCC(C1)C2O MCULE-2961983590 [0,1,0,1,0,0|1,0,0]=3 1166 B14R2.788 O=C(O)C1(CC1)CN2CCCCC2 MCULE-5382723351 [0,1,0,1,0,0|2,0,0]=4 1167 B14R2.788 O=C(O)C1(CC1)CN2CCCCC2 MCULE-9852344918 [0,1,0,1,0,0|2,0,0]=4 1168 B14R2.3480 NCC1(CC12CCCCC2)C(=O)O MCULE-1600989682 [0,1,0,1,0,0|0,0,0]=2 1169 B14R2.3480 NCC1(CC12CCOCC2)C(=O)O MCULE-9999309181 [0,1,0,1,0,0|1,0,0]=3 1170 B14R2.14460 N#CC1(CC2CCC1CC2)C(=O)O MCULE-2493733137 [0,1,0,1,0,0|0,0,1]=3 1171 B14R2.31587 NC1(CC2(C1)CCCCC2)C(=O)O MCULE-4517505578 [0,1,0,1,0,0|0,0,0]=2 1172 B14R3.4476 O=C1CC2CC3CC(C2)CC1C3 MCULE-7773479032 [0,0,0,2,0,0|2,0,0]=4 1173 B14R3.4476 O=C1NC2CC3CC(C2)CC1C3 MCULE-1638162718 [0,0,0,2,0,0|2,0,0]=4 1174 B14R3.4476 O=C1NC2CC3CC(C2)CC1C3 MCULE-2267089205 [0,0,0,2,0,0|2,0,0]=4 1175 B14R3.4476 O=C1OC2CC3CC(C2)CC1C3 MCULE-8277780600 [0,0,0,2,0,0|1,0,0]=3 1176 B14R3.4476 [C@@H]12C[C@H]3C[C@@H](C1)C[C@@H](C2)OC3=O MCULE-5006839098 [0,0,0,2,0,0|1,0,0]=3 1177 B14R3.36120 CC(=O)C12CC3CC(C1)CC2C3 MCULE-3082412581 [0,0,0,2,0,0|2,0,0]=4 1178 B14R3.36120 O=C(Cl)C12CC3CC(C1)CC2C3 MCULE-6193739291 [0,0,0,2,0,0|2,0,0]=4 1179 B14R3.36120 O=C(O)C12CC3CC(C1)CC2C3 MCULE-6932837620 [0,0,0,2,0,0|1,0,0]=3 1180 B14R3.36120 [C@H]12C[C@@H]3C[C@@H](C1)[C@@](C2)(C3)C(=O)O MCULE-5793853429 [0,0,0,2,0,0|1,0,0]=3 1181 B10R0.81 CCCCC(N)C(O)C(=O)O MCULE-9772584692 [0,0,1,0,1,0|2,0,0]=4 1182 B10R0.81 CCCC[C@@H](N)[C@H](O)C(=O)O MCULE-8826953669 [0,0,1,0,1,0|2,0,0]=4 1183 B10R0.81 CCCC[C@H](N)[C@H](O)C(=O)O MCULE-6737057860 [0,0,1,0,1,0|2,0,0]=4 1184 B10R0.81 COCCC(C)C(N)C(=O)O MCULE-6609752945 [0,0,1,0,1,0|1,0,0]=3 1185 B10R1.15 C#CC(N)C1CCCCC1 MCULE-9165363419 [1,0,0,0,1,0|1,0,1]=4 1186 B10R1.15 C=CC(N)C1CCOCC1 MCULE-5582342577 [1,0,0,0,1,0|2,0,0]=4 1187 B10R1.15 C=CC(O)C1CCCCC1 MCULE-4108928861 [1,0,0,0,1,0|2,0,0]=4 1188 B10R1.15 CC(C=O)C1CCCCC1 MCULE-8646762788 [1,0,0,0,1,0|1,0,0]=3 1189 B10R1.15 CC(CO)C1CCCCC1 MCULE-8690797205 [1,0,0,0,1,0|1,0,1]=4 1190 B10R1.15 CCC(N)C1CCCCC1 MCULE-2735585562 [1,0,0,0,1,0|1,0,1]=4 1191 B10R1.15 CCC(N)C1CCCCC1 MCULE-7856139706 [1,0,0,0,1,0|1,0,1]=4 1192 B10R1.15 CCC(N)C1CCCCC1 MCULE-8145497391 [1,0,0,0,1,0|1,0,1]=4 1193 B10R1.15 CCC(N)C1CCCCC1 MCULE-8723758208 [1,0,0,0,1,0|1,0,1]=4 1194 B10R1.15 CC[C@H](N)C1CCCCC1 MCULE-2266134248 [1,0,0,0,1,0|1,0,1]=4 1195 B10R1.15 CC[C@H](N)C1CCCCC1 MCULE-2837970190 [1,0,0,0,1,0|1,0,1]=4 1196 B10R1.15 CC[C@H](N)C1CCCCC1 MCULE-4058884975 [1,0,0,0,1,0|1,0,1]=4 1197 B10R1.15 CC[C@H](N)C1CCCCC1 MCULE-4904125954 [1,0,0,0,1,0|1,0,1]=4 1198 B10R1.15 N#CC(N)C1CCCCC1 MCULE-3274285377 [1,0,0,0,1,0|1,0,1]=4 1199 B10R1.15 N#CC(N)C1CCCCC1 MCULE-4121683192 [1,0,0,0,1,0|1,0,1]=4 1200 B10R1.15 N/C(=N/O)/C1CCCCC1 MCULE-7400174450 [1,0,0,0,1,0|1,0,1]=4 1201 B10R1.15 NC(CO)C1CCCCC1 MCULE-7205591328 [1,0,0,0,1,0|0,0,1]=3 1202 B10R1.15 NC(CO)C1CCCCC1 MCULE-7370703075 [1,0,0,0,1,0|0,0,1]=3 1203 B10R1.15 NC(CO)C1CCCCC1 MCULE-8745977604 [1,0,0,0,1,0|0,0,1]=3 1204 B10R1.15 NC(CO)C1CCCOC1 MCULE-4152145176 [1,0,0,0,1,0|1,0,1]=4 1205 B10R1.15 NC(CO)C1CCCOC1 MCULE-7286913939 [1,0,0,0,1,0|1,0,1]=4 1206 B10R1.15 NC(CO)C1CCOCC1 MCULE-4207996874 [1,0,0,0,1,0|1,0,1]=4 1207 B10R1.15 NC(CO)C1CCOCC1 MCULE-6646407511 [1,0,0,0,1,0|1,0,1]=4 1208 B10R1.15 NCC(N)C1CCCCC1 MCULE-3140142671 [1,0,0,0,1,0|1,0,1]=4 1209 B10R1.15 N[C@@H](CF)C1CCCCC1 MCULE-3762114197 [1,0,0,0,1,0|1,0,1]=4 1210 B10R1.15 N[C@@H](CF)C1CCCCC1 MCULE-6703398254 [1,0,0,0,1,0|1,0,1]=4 1211 B10R1.15 N[C@@H](CO)C1CCCCC1 MCULE-2384926884 [1,0,0,0,1,0|0,0,1]=3 1212 B10R1.15 N[C@@H](CO)C1CCCCC1 MCULE-7290753104 [1,0,0,0,1,0|0,0,1]=3 1213 B10R1.15 N[C@@H](CO)C1CCCCC1 MCULE-8304806141 [1,0,0,0,1,0|0,0,1]=3 1214 B10R1.15 N[C@H](CF)C1CCCCC1 MCULE-1021109156 [1,0,0,0,1,0|1,0,1]=4 1215 B10R1.15 N[C@H](CF)C1CCCCC1 MCULE-2626727063 [1,0,0,0,1,0|1,0,1]=4 1216 B10R1.15 N[C@H](CO)C1CCCCC1 MCULE-2300999389 [1,0,0,0,1,0|0,0,1]=3 1217 B10R1.15 N[C@H](CO)C1CCCCC1 MCULE-6613082885 [1,0,0,0,1,0|0,0,1]=3 1218 B10R1.15 N[C@H](CO)C1CCCCC1 MCULE-6887686110 [1,0,0,0,1,0|0,0,1]=3 1219 B10R1.15 N[C@H](CO)C1CCCCC1 MCULE-9265008029 [1,0,0,0,1,0|0,0,1]=3 1220 B10R1.27 CC(CO)CC1CCCC1 MCULE-9953987757 [1,0,0,0,1,0|1,0,1]=4 1221 B10R1.27 N/C(=N/O)/CC1CCCC1 MCULE-5747462847 [1,0,0,0,1,0|1,0,1]=4 1222 B10R1.27 NC(CO)CC1CCCC1 MCULE-6351800661 [1,0,0,0,1,0|0,0,1]=3 1223 B10R1.27 NC(CO)CC1CCCC1 MCULE-7941804108 [1,0,0,0,1,0|0,0,1]=3 1224 B10R1.27 NC(CO)CC1CCCO1 MCULE-7544199811 [1,0,0,0,1,0|1,0,1]=4 1225 B10R1.27 NC(CO)CC1CCOC1 MCULE-8378662893 [1,0,0,0,1,0|1,0,1]=4 1226 B10R1.27 NC(CO)CN1CCCC1 MCULE-5549240286 [1,0,0,0,1,0|1,0,1]=4 1227 B10R1.27 NC(CO)CN1CCCC1 MCULE-6994008599 [1,0,0,0,1,0|1,0,1]=4 1228 B10R1.66 CC(=O)CCC1CCCC1 MCULE-9602514524 [1,0,0,0,1,0|1,0,0]=3 1229 B10R1.66 NC(=O)CCC1CCCC1 MCULE-6308384459 [1,0,0,0,1,0|1,0,0]=3 1230 B10R1.66 NC(=O)CCN1CCCC1 MCULE-1109710642 [1,0,0,0,1,0|2,0,0]=4 1231 B10R1.66 NC(=O)CNC1CCCC1 MCULE-5401113380 [1,0,0,0,1,0|2,0,0]=4 1232 B10R1.66 NC(=O)CNC1CCCC1 MCULE-8595660552 [1,0,0,0,1,0|2,0,0]=4 1233 B10R1.66 NC(=O)COC1CCCC1 MCULE-6280655419 [1,0,0,0,1,0|2,0,0]=4 1234 B10R1.66 O=C(Cl)CCC1CCCC1 MCULE-6098498258 [1,0,0,0,1,0|1,0,0]=3 1235 B10R1.66 O=C(O)/C=C/C1CCCC1 MCULE-5196632480 [1,0,0,0,1,0|0,0,2]=4 1236 B10R1.66 O=C(O)C=CC1CCCC1 MCULE-4492328269 [1,0,0,0,1,0|0,0,2]=4 1237 B10R1.66 O=C(O)CCC1CCCC1 MCULE-4583118303 [1,0,0,0,1,0|0,0,0]=2 1238 B10R1.66 O=C(O)CCC1CCCN1 MCULE-2613608732 [1,0,0,0,1,0|1,0,0]=3 1239 B10R1.66 O=C(O)CCC1CCCN1 MCULE-8814917549 [1,0,0,0,1,0|1,0,0]=3 1240 B10R1.66 O=C(O)CCC1CCCO1 MCULE-4111498968 [1,0,0,0,1,0|1,0,0]=3 1241 B10R1.66 O=C(O)CCC1CCNC1 MCULE-8082069026 [1,0,0,0,1,0|1,0,0]=3 1242 B10R1.66 O=C(O)CCC1CCNC1 MCULE-8359539011 [1,0,0,0,1,0|1,0,0]=3 1243 B10R1.66 O=C(O)CCC1CCOC1 MCULE-9339795680 [1,0,0,0,1,0|1,0,0]=3 1244 B10R1.66 O=C(O)CCC1OCCO1 MCULE-1077920259 [1,0,0,0,1,0|2,0,0]=4 1245 B10R1.66 O=C(O)CCN1CCCC1 MCULE-4735526690 [1,0,0,0,1,0|1,0,0]=3 1246 B10R1.66 O=C(O)CCN1CCCC1 MCULE-6724732496 [1,0,0,0,1,0|1,0,0]=3 1247 B10R1.66 O=C(O)CCN1CCCO1 MCULE-4658280001 [1,0,0,0,1,0|2,0,0]=4 1248 B10R1.66 O=C(O)CCN1CCCO1 MCULE-5549624995 [1,0,0,0,1,0|2,0,0]=4 1249 B10R1.66 O=C(O)CC[C@@H]1CCCN1 MCULE-9918992229 [1,0,0,0,1,0|1,0,0]=3 1250 B10R1.66 O=C(O)CC[C@@H]1CCCO1 MCULE-8942407071 [1,0,0,0,1,0|1,0,0]=3 1251 B10R1.66 O=C(O)CC[C@H]1CCCO1 MCULE-8877470669 [1,0,0,0,1,0|1,0,0]=3 1252 B10R1.66 O=C(O)CNC1CCCC1 MCULE-2656159228 [1,0,0,0,1,0|1,0,0]=3 1253 B10R1.66 O=C(O)CNC1CCCC1 MCULE-9561013929 [1,0,0,0,1,0|1,0,0]=3 1254 B10R1.66 O=C(O)COC1CCCC1 MCULE-2079008170 [1,0,0,0,1,0|1,0,0]=3 1255 B10R1.66 O=C(O)COC1CCOC1 MCULE-9235017197 [1,0,0,0,1,0|2,0,0]=4 1256 B10R1.66 O=C(O)CSC1CCCC1 MCULE-7601914378 [1,0,0,0,1,0|1,0,0]=3 1257 B10R1.23 CC(C(=O)O)C1CCCC1 MCULE-5802736245 [0,0,0,0,2,0|1,0,0]=3 1258 B10R1.23 CC(C(=O)O)C1CCCO1 MCULE-7845267101 [0,0,0,0,2,0|2,0,0]=4 1259 B10R1.23 CC(C(=O)O)C1CCOC1 MCULE-7866218529 [0,0,0,0,2,0|2,0,0]=4 1260 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-1089880160 [0,0,0,0,2,0|2,0,0]=4 1261 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-6643699902 [0,0,0,0,2,0|2,0,0]=4 1262 B10R1.23 CC(C(=O)O)N1CCCC1 MCULE-9316791928 [0,0,0,0,2,0|2,0,0]=4 1263 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 MCULE-3614375066 [0,0,0,0,2,0|2,0,0]=4 1264 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 MCULE-3855579270 [0,0,0,0,2,0|2,0,0]=4 1265 B10R1.23 C[C@H](C(=O)O)N1CCCC1 MCULE-8338161515 [0,0,0,0,2,0|2,0,0]=4 1266 B10R1.23 C[C@H](C(=O)O)N1CCCC1 MCULE-8839356147 [0,0,0,0,2,0|2,0,0]=4 1267 B10R1.23 NC(=O)C(F)C1CCCC1 MCULE-2132325699 [0,0,0,0,2,0|2,0,0]=4 1268 B10R1.23 NC(=O)C(N)C1CCCC1 MCULE-5304987336 [0,0,0,0,2,0|1,0,0]=3 1269 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-7146175523 [0,0,0,0,2,0|0,0,0]=2 1270 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-7746486136 [0,0,0,0,2,0|0,0,0]=2 1271 B10R1.23 NC(C(=O)O)C1CCCC1 MCULE-9888348666 [0,0,0,0,2,0|0,0,0]=2 1272 B10R1.23 NC(C(=O)O)C1CCCO1 MCULE-3670924700 [0,0,0,0,2,0|1,0,0]=3 1273 B10R1.23 NC(C(=O)O)C1CCNC1 MCULE-1642984994 [0,0,0,0,2,0|1,0,0]=3 1274 B10R1.23 NC(C(=O)O)C1CCNC1 MCULE-8012924580 [0,0,0,0,2,0|1,0,0]=3 1275 B10R1.23 NC(C(=O)O)C1CCOC1 MCULE-9063647673 [0,0,0,0,2,0|1,0,0]=3 1276 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 MCULE-2078695461 [0,0,0,0,2,0|0,0,0]=2 1277 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 MCULE-7548517913 [0,0,0,0,2,0|0,0,0]=2 1278 B10R1.23 N[C@H](C(=O)O)C1CCCC1 MCULE-1391706498 [0,0,0,0,2,0|0,0,0]=2 1279 B10R1.23 N[C@H](C(=O)O)C1CCCC1 MCULE-5447481000 [0,0,0,0,2,0|0,0,0]=2 1280 B10R1.23 O=C(O)C(=O)C1CCCC1 MCULE-3971745471 [0,0,0,0,2,0|1,0,1]=4 1281 B10R1.23 O=C(O)C(Br)C1CCCC1 MCULE-1051918450 [0,0,0,0,2,0|1,0,0]=3 1282 B10R1.23 O=C(O)C(F)C1CCCC1 MCULE-8637303916 [0,0,0,0,2,0|1,0,0]=3 1283 B10R1.23 O=C(O)C(F)C1CCOC1 MCULE-4380204267 [0,0,0,0,2,0|2,0,0]=4 1284 B10R1.23 O=C(O)C(O)C1CCCC1 MCULE-1471598195 [0,0,0,0,2,0|1,0,0]=3 1285 B10R1.23 O=C(O)C(O)C1CCNC1 MCULE-8304713060 [0,0,0,0,2,0|2,0,0]=4 1286 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 MCULE-6560406332 [0,0,0,0,2,0|1,0,0]=3 1287 B10R1.23 O=C(O)[C@H](O)C1CCCC1 MCULE-1883242923 [0,0,0,0,2,0|1,0,0]=3 1288 B10R1.204 CC(CC1CCC1)C(=O)O MCULE-9404107634 [0,0,0,0,2,0|1,0,0]=3 1289 B10R1.204 C[C@H](NC1CCC1)C(=O)O MCULE-7409631566 [0,0,0,0,2,0|2,0,0]=4 1290 B10R1.204 NC(=O)C(F)CC1CCC1 MCULE-6493382532 [0,0,0,0,2,0|2,0,0]=4 1291 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-3218968630 [0,0,0,0,2,0|0,0,0]=2 1292 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-4504908507 [0,0,0,0,2,0|0,0,0]=2 1293 B10R1.204 NC(CC1CCC1)C(=O)O MCULE-9377321223 [0,0,0,0,2,0|0,0,0]=2 1294 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-1216111783 [0,0,0,0,2,0|0,0,0]=2 1295 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-5390134859 [0,0,0,0,2,0|0,0,0]=2 1296 B10R1.204 N[C@@H](CC1CCC1)C(=O)O MCULE-5493935992 [0,0,0,0,2,0|0,0,0]=2 1297 B10R1.204 N[C@H](CC1CCC1)C(=O)O MCULE-3225528393 [0,0,0,0,2,0|0,0,0]=2 1298 B10R1.204 N[C@H](CC1CCC1)C(=O)O MCULE-7473428983 [0,0,0,0,2,0|0,0,0]=2 1299 B10R1.204 O=C(O)C(F)CC1CCC1 MCULE-4701098034 [0,0,0,0,2,0|1,0,0]=3 1300 B10R1.204 O=C(O)[C@H](O)CC1CCC1 MCULE-8975040339 [0,0,0,0,2,0|1,0,0]=3 1301 B12R0.4 CCCCCCCC(C)CC(=O)O MCULE-8785424338 [0,0,1,0,0,1|1,0,0]=3 1302 B12R0.4 CCCCCCCC(C)OC(=O)C MCULE-5744025046 [0,0,1,0,0,1|2,0,0]=4 1303 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-6703111524 [0,0,1,0,0,1|0,0,0]=2 1304 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-7291666407 [0,0,1,0,0,1|0,0,0]=2 1305 B12R0.4 CCCCCCCC(O)CC(=O)O MCULE-4360629497 [0,0,1,0,0,1|1,0,0]=3 1306 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O MCULE-9404172021 [0,0,1,0,0,1|1,0,0]=3 1307 B12R0.4 CCCCCCC[C@H](O)CC(=O)O MCULE-4030960180 [0,0,1,0,0,1|1,0,0]=3 1308 B12R1.252 C=C(C)CCCC1CCCCC1 MCULE-7799078786 [1,0,0,0,0,1|2,0,0]=4 1309 B12R1.252 CC(=O)CCC=C1CCCCC1 MCULE-1076445196 [1,0,0,0,0,1|1,0,1]=4 1310 B12R1.252 CC(=O)CCCC1CCCCC1 MCULE-5187598883 [1,0,0,0,0,1|1,0,0]=3 1311 B12R1.252 CC(=O)NCCC1CCCCN1 MCULE-5840104711 [1,0,0,0,0,1|2,0,0]=4 1312 B12R1.252 CC(=O)NCCC1CCCCN1 MCULE-7320206184 [1,0,0,0,0,1|2,0,0]=4 1313 B12R1.252 CC(=O)NCCC1CCCCN1 MCULE-9295576951 [1,0,0,0,0,1|2,0,0]=4 1314 B12R1.252 CC(=O)NCCC1CCCNC1 MCULE-2925470482 [1,0,0,0,0,1|2,0,0]=4 1315 B12R1.252 CC(=O)NCCC1CCCNC1 MCULE-7399408933 [1,0,0,0,0,1|2,0,0]=4 1316 B12R1.252 CC(=O)NCCC1CCNCC1 MCULE-7669887235 [1,0,0,0,0,1|2,0,0]=4 1317 B12R1.252 CC(=O)NCCC1CCNCC1 MCULE-9410705557 [1,0,0,0,0,1|2,0,0]=4 1318 B12R1.252 CC(=O)OCCC1CCCCN1 MCULE-1026387511 [1,0,0,0,0,1|2,0,0]=4 1319 B12R1.252 CC(=O)OCCC1CCCCN1 MCULE-3751642892 [1,0,0,0,0,1|2,0,0]=4 1320 B12R1.252 CC(=O)OCCC1CCCNC1 MCULE-1775660875 [1,0,0,0,0,1|2,0,0]=4 1321 B12R1.252 CC(=O)OCCC1CCCNC1 MCULE-7081319541 [1,0,0,0,0,1|2,0,0]=4 1322 B12R1.252 CC(=O)OCCC1CCNCC1 MCULE-3691332043 [1,0,0,0,0,1|2,0,0]=4 1323 B12R1.252 CC(=O)OCCC1CCNCC1 MCULE-8239323848 [1,0,0,0,0,1|2,0,0]=4 1324 B12R1.252 CC(=O)SCCC1CCCCC1 MCULE-8635148363 [1,0,0,0,0,1|1,0,0]=3 1325 B12R1.252 CC(=O)SCCN1CCCCC1 MCULE-2541705969 [1,0,0,0,0,1|2,0,0]=4 1326 B12R1.252 CC(=O)SCCN1CCCCC1 MCULE-8698410675 [1,0,0,0,0,1|2,0,0]=4 1327 B12R1.252 CC(O)CNCC1CCCCC1 MCULE-6837813049 [1,0,0,0,0,1|1,0,1]=4 1328 B12R1.252 CC(O)CNCC1CCCCC1 MCULE-6859220464 [1,0,0,0,0,1|1,0,1]=4 1329 B12R1.252 NC(=O)CCCC1CCNCC1 MCULE-8068328020 [1,0,0,0,0,1|2,0,0]=4 1330 B12R1.252 NC(=O)CCNC1CCCCC1 MCULE-6961669869 [1,0,0,0,0,1|1,0,0]=3 1331 B12R1.252 NC(=O)CNCC1CCOCC1 MCULE-8061631380 [1,0,0,0,0,1|2,0,0]=4 1332 B12R1.252 O=C(Cl)CCCC1CCCCC1 MCULE-6685434994 [1,0,0,0,0,1|1,0,0]=3 1333 B12R1.252 O=C(O)/C=C/CN1CCCCC1 MCULE-2574027587 [1,0,0,0,0,1|1,0,1]=4 1334 B12R1.252 O=C(O)/C=C/CN1CCCCC1 MCULE-7976173160 [1,0,0,0,0,1|1,0,1]=4 1335 B12R1.252 O=C(O)C=CCN1CCCCC1 MCULE-2313554291 [1,0,0,0,0,1|1,0,1]=4 1336 B12R1.252 O=C(O)C=CCN1CCCCC1 MCULE-5619896364 [1,0,0,0,0,1|1,0,1]=4 1337 B12R1.252 O=C(O)CCCC1CCCCC1 MCULE-8249292238 [1,0,0,0,0,1|0,0,0]=2 1338 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6744436702 [1,0,0,0,0,1|1,0,0]=3 1339 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6927833795 [1,0,0,0,0,1|1,0,0]=3 1340 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-1999021566 [1,0,0,0,0,1|1,0,0]=3 1341 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-5061937452 [1,0,0,0,0,1|1,0,0]=3 1342 B12R1.252 O=C(O)CCCC1CCOCC1 MCULE-3067113283 [1,0,0,0,0,1|1,0,0]=3 1343 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-2691750895 [1,0,0,0,0,1|1,0,0]=3 1344 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-7693123644 [1,0,0,0,0,1|1,0,0]=3 1345 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-3808061194 [1,0,0,0,0,1|2,0,0]=4 1346 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-6111321827 [1,0,0,0,0,1|2,0,0]=4 1347 B12R1.252 O=C(O)CCNC1=NCCCC1 MCULE-7368604852 [1,0,0,0,0,1|1,0,1]=4 1348 B12R1.252 O=C(O)CCNC1CCCCC1 MCULE-9246786190 [1,0,0,0,0,1|0,0,0]=2 1349 B12R1.252 O=C(O)CCOC1CCCCO1 MCULE-1716928477 [1,0,0,0,0,1|1,0,0]=3 1350 B12R1.252 O=C(O)CCOC1CCOCC1 MCULE-9390535734 [1,0,0,0,0,1|1,0,0]=3 1351 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8613545922 [1,0,0,0,0,1|0,0,0]=2 1352 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8778334854 [1,0,0,0,0,1|0,0,0]=2 1353 B12R1.252 O=C(O)COCC1CCCCO1 MCULE-4058015104 [1,0,0,0,0,1|1,0,0]=3 1354 B12R1.252 O=C(O)CSCC1CCCCO1 MCULE-4195821334 [1,0,0,0,0,1|1,0,0]=3 1355 B12R1.252 O=C([O-])CCCC1CCCCC1 MCULE-8598802518 [1,0,0,0,0,1|0,0,1]=3 1356 B12R1.252 OB(O)CCCC1CCCCC1 MCULE-4093256475 [1,0,0,0,0,1|1,0,1]=4 1357 B12R1.1343 CC(=O)CCC1CCCCCC1 MCULE-1678869086 [1,0,0,0,0,1|1,0,0]=3 1358 B12R1.1343 O=C(O)CCC1CCCCCC1 MCULE-3221739644 [1,0,0,0,0,1|0,0,0]=2 1359 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-6902441701 [1,0,0,0,0,1|1,0,0]=3 1360 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-8652213601 [1,0,0,0,0,1|1,0,0]=3 1361 B12R1.1343 O=C(O)CCN1CSCCSC1 MCULE-9661159221 [1,0,0,0,0,1|2,0,0]=4 1362 B12R1.1343 O=C(O)CNC1=NCCCCC1 MCULE-2991973710 [1,0,0,0,0,1|1,0,1]=4 1363 B12R1.1343 O=C(O)CNC1CCCCCC1 MCULE-3407473628 [1,0,0,0,0,1|1,0,0]=3 1364 B12R1.1343 O=C(O)COC1CCCCCC1 MCULE-7705697205 [1,0,0,0,0,1|1,0,0]=3 1365 B14R1.423 O=C(O)CNC(=O)CC1CCCCC1 MCULE-6241886212 [0,0,0,0,0,2|1,0,1]=4 1366 B14R1.10072 NC(CC1CCCCCCC1)C(=O)O MCULE-2199095735 [0,0,0,0,0,2|0,0,0]=2 1367 B14R1.10072 NC(CC1CCCCCCC1)C(=O)O MCULE-6725119181 [0,0,0,0,0,2|0,0,0]=2 1368 B14R1.10072 N[C@@H](CC1CCCCCCC1)C(=O)O MCULE-7565782229 [0,0,0,0,0,2|0,0,0]=2 1369 B14R1.10072 N[C@@H](CC1CCCCCCC1)C(=O)O MCULE-8225181344 [0,0,0,0,0,2|0,0,0]=2