0 B11R1.91 C=C(Br)CNC1CCCCC1 MCULE-4193740039 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.91 C=C(Br)CNC1CCCCC1 MCULE-8122447871 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 C=C(C)COC1CCNCC1 MCULE-6986081881 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.91 C=C(C)COC1CCNCC1 MCULE-9889826374 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.91 CC(=O)CCC1CCCCC1 MCULE-1125647515 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.91 CC(=O)CCN1CCCCC1 MCULE-4455809617 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.91 CC(=O)CCN1CCCCC1 MCULE-7961876637 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.91 CC(=O)CCN1CCNCC1 MCULE-2822686097 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.91 CC(=O)CCN1CCNCC1 MCULE-4333462634 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.91 CC(=O)CCN1CCOCC1 MCULE-7551262567 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.91 CC(=O)NCC1CCCCN1 MCULE-3105845304 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.91 CC(=O)NCC1CCCCN1 MCULE-9646759433 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.91 CC(=O)NCC1CCCNC1 MCULE-2486103137 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.91 CC(=O)NCC1CCNCC1 MCULE-1534192859 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.91 CC(=O)NCC1CCNCC1 MCULE-3811620113 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.91 CC(=O)NCC1CCNCC1 MCULE-4719188960 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.91 CC(=O)NCC1CNCCO1 MCULE-5014922423 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.91 CC(=O)NCC1COCCN1 MCULE-5013564477 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.91 CC(=O)NCC1COCCN1 MCULE-8035350416 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.91 CC(=O)NCC1COCCN1 MCULE-9520498911 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.91 CC(=O)OCC1CCCCC1 MCULE-4442955915 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.91 CC(=O)OCC1CCCCO1 MCULE-2769100863 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.91 CC(=O)OCC1CCCNC1 MCULE-3753425352 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.91 CC(=O)OCC1CCCNC1 MCULE-8547366652 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.91 CC(=O)OCC1CCNCC1 MCULE-2805518931 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.91 CC(=O)OCC1CCNCC1 MCULE-5312831696 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.91 CC(C)CCC1CCCNC1 MCULE-7419800844 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.91 CC(C)CNC1CCCCC1 MCULE-4700193250 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.91 CC(C)CNC1CCCCC1 MCULE-8877234185 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.91 CC(C)NCC1CCCCC1 MCULE-8959827433 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.91 CC(C)NCC1CCCCC1 MCULE-9336680367 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.91 CC(N)CCC1CCCCC1 MCULE-1575737383 [0,0,0,0,0,0|2,0,1]=3 32 B11R1.91 CC(N)CCN1CCCCC1 MCULE-4566467751 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.91 CC(O)CCC1CCCCC1 MCULE-3809271591 [0,0,0,0,0,0|1,0,1]=2 34 B11R1.91 CC(O)CNC1CCCCC1 MCULE-3346298684 [0,0,0,0,0,0|2,0,1]=3 35 B11R1.91 CC(O)COC1CCNCC1 MCULE-3268253982 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.91 CN(C)CCC1CCCCN1 MCULE-6100316120 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.91 CN(C)CCC1CCCCN1 MCULE-9784752175 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.91 CN(C)CCC1CCCNC1 MCULE-9485527775 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.91 CN(C)CCC1CCCNC1 MCULE-9690043169 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.91 CN(C)CCC1CCNCC1 MCULE-3558380010 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.91 CN(C)CCC1CCNCC1 MCULE-3641440631 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.91 CN(C)CCC1CCNCC1 MCULE-6880883510 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.91 CS(=O)CCN1CCNCC1 MCULE-5644133196 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.91 CS(=O)CCN1CCNCC1 MCULE-7127127725 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.91 FC(F)CNC1CCCCC1 MCULE-6452389395 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-4187671201 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-6812707919 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-8802863643 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.91 N=C(N)CCN1CCOCC1 MCULE-1449111348 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.91 N=C(N)CCN1CCOCC1 MCULE-1784633607 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.91 N=C(N)NCC1CCCCC1 MCULE-5333495230 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.91 N=C(N)NCC1CCCCC1 MCULE-6218164374 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.91 N=C(N)NCC1CCOCC1 MCULE-2530902636 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.91 N=C(N)NCC1CCOCC1 MCULE-3821702052 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.91 N=C(N)SCC1CCCCC1 MCULE-3283728567 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.91 N=C(N)SCC1CCCCC1 MCULE-5965577672 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.91 NC(=O)CCC1CCCCC1 MCULE-7177254920 [0,0,0,0,0,0|1,0,0]=1 58 B11R1.91 NC(=O)CCC1CCCNC1 MCULE-2731987615 [0,0,0,0,0,0|2,0,0]=2 59 B11R1.91 NC(=O)CCC1CCCNC1 MCULE-3357409507 [0,0,0,0,0,0|2,0,0]=2 60 B11R1.91 NC(=O)CCC1CCNCC1 MCULE-2541342686 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.91 NC(=O)CCC1CCNCC1 MCULE-7868367948 [0,0,0,0,0,0|2,0,0]=2 62 B11R1.91 NC(=O)CCN1CCNCC1 MCULE-4237492785 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.91 NC(=O)CCN1CCNCC1 MCULE-5604364402 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.91 NC(=O)CCN1CCNCC1 MCULE-5899238397 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.91 NC(=O)CCN1CCOCC1 MCULE-3358887716 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.91 NC(=O)CNC1CCOCC1 MCULE-5022669900 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.91 NC(=O)CNC1CCOCC1 MCULE-8465760828 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.91 NC(=O)COC1CCCCC1 MCULE-3634561714 [0,0,0,0,0,0|2,0,0]=2 69 B11R1.91 NC(=O)COC1CCNCC1 MCULE-1994833226 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.91 NC(=O)COC1CCNCC1 MCULE-7267285811 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.91 NC(=O)CSC1CCCCC1 MCULE-9968891969 [0,0,0,0,0,0|2,0,0]=2 72 B11R1.91 NC(=O)NCC1CCCCC1 MCULE-8898827465 [0,0,0,0,0,0|2,0,0]=2 73 B11R1.91 NC(=O)NCC1CCCCN1 MCULE-4059522603 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.91 NC(=O)NCC1CCCCN1 MCULE-8786655844 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.91 NC(=O)NCC1CCCNC1 MCULE-6134280325 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.91 NC(=O)NN=C1CCCCC1 MCULE-1005872492 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.91 NC(=S)CCN1CCCCC1 MCULE-2768225485 [0,0,0,0,0,0|2,1,0]=3 78 B11R1.91 NC(=S)CCN1CCOCC1 MCULE-8347470895 [0,0,0,0,0,0|3,1,0]=4 79 B11R1.91 NC(=S)NCC1CCCCC1 MCULE-6421127685 [0,0,0,0,0,0|2,1,0]=3 80 B11R1.91 O=C(Cl)CCC1CCCCC1 MCULE-7905035887 [0,0,0,0,0,0|1,0,0]=1 81 B11R1.91 O=C(Cl)OCC1CCCCC1 MCULE-5198631423 [0,0,0,0,0,0|2,0,0]=2 82 B11R1.91 O=C(Cl)OCC1CCOCC1 MCULE-6985131043 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.91 O=C(O)/C=C/C1=CCCCC1 MCULE-1174819409 [0,0,0,0,0,0|0,0,4]=4 84 B11R1.91 O=C(O)/C=C/C1CCCCC1 MCULE-3408838682 [0,0,0,0,0,0|0,0,2]=2 85 B11R1.91 O=C(O)/C=N/N1CCCCC1 MCULE-4664019093 [0,0,0,0,0,0|2,0,1]=3 86 B11R1.91 O=C(O)/C=N/N1CCCCC1 MCULE-7026085314 [0,0,0,0,0,0|2,0,1]=3 87 B11R1.91 O=C(O)C#CC1CCCCC1 MCULE-5082053122 [0,0,0,0,0,0|0,0,2]=2 88 B11R1.91 O=C(O)C#CC1CCCNC1 MCULE-1364265807 [0,0,0,0,0,0|1,0,2]=3 89 B11R1.91 O=C(O)C#CC1CCCNC1 MCULE-8856789307 [0,0,0,0,0,0|1,0,2]=3 90 B11R1.91 O=C(O)C#CC1CCCOC1 MCULE-2694768491 [0,0,0,0,0,0|1,0,2]=3 91 B11R1.91 O=C(O)C#CC1CCNCC1 MCULE-8935690041 [0,0,0,0,0,0|1,0,2]=3 92 B11R1.91 O=C(O)C#CC1CCNCC1 MCULE-9868136962 [0,0,0,0,0,0|1,0,2]=3 93 B11R1.91 O=C(O)C#CC1CCOCC1 MCULE-8516095327 [0,0,0,0,0,0|1,0,2]=3 94 B11R1.91 O=C(O)C=CC1=CCCCC1 MCULE-5190014235 [0,0,0,0,0,0|0,0,4]=4 95 B11R1.91 O=C(O)C=CC1CC=CCC1 MCULE-4029530091 [0,0,0,0,0,0|0,0,4]=4 96 B11R1.91 O=C(O)C=CC1CCCCC1 MCULE-4284204201 [0,0,0,0,0,0|0,0,2]=2 97 B11R1.91 O=C(O)C=CC1CCOCC1 MCULE-1964035700 [0,0,0,0,0,0|1,0,2]=3 98 B11R1.91 O=C(O)CCC1=CCCCC1 MCULE-1237781222 [0,0,0,0,0,0|0,0,2]=2 99 B11R1.91 O=C(O)CCC1CCCCC1 MCULE-6857024600 [0,0,0,0,0,0|0,0,0]=0 100 B11R1.91 O=C(O)CCC1CCCCN1 MCULE-9745963762 [0,0,0,0,0,0|1,0,0]=1 101 B11R1.91 O=C(O)CCC1CCCCN1 MCULE-9799515880 [0,0,0,0,0,0|1,0,0]=1 102 B11R1.91 O=C(O)CCC1CCCCO1 MCULE-7131400209 [0,0,0,0,0,0|1,0,0]=1 103 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-7924528861 [0,0,0,0,0,0|1,0,0]=1 104 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-8138582183 [0,0,0,0,0,0|1,0,0]=1 105 B11R1.91 O=C(O)CCC1CCCOC1 MCULE-2925847386 [0,0,0,0,0,0|1,0,0]=1 106 B11R1.91 O=C(O)CCC1CCNCC1 MCULE-2827451677 [0,0,0,0,0,0|1,0,0]=1 107 B11R1.91 O=C(O)CCC1CCNCC1 MCULE-4045148324 [0,0,0,0,0,0|1,0,0]=1 108 B11R1.91 O=C(O)CCC1CCOCC1 MCULE-6529848078 [0,0,0,0,0,0|1,0,0]=1 109 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-1513049995 [0,0,0,0,0,0|2,0,0]=2 110 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-4856628745 [0,0,0,0,0,0|2,0,0]=2 111 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-8947965996 [0,0,0,0,0,0|2,0,0]=2 112 B11R1.91 O=C(O)CCC1CNCCO1 MCULE-4290804660 [0,0,0,0,0,0|2,0,0]=2 113 B11R1.91 O=C(O)CCC1CNCCO1 MCULE-8003417383 [0,0,0,0,0,0|2,0,0]=2 114 B11R1.91 O=C(O)CCC1COCCN1 MCULE-2173241934 [0,0,0,0,0,0|2,0,0]=2 115 B11R1.91 O=C(O)CCC1COCCN1 MCULE-4800776369 [0,0,0,0,0,0|2,0,0]=2 116 B11R1.91 O=C(O)CCC1COCCO1 MCULE-8260042590 [0,0,0,0,0,0|2,0,0]=2 117 B11R1.91 O=C(O)CCC1OCCCO1 MCULE-5410285503 [0,0,0,0,0,0|2,0,0]=2 118 B11R1.91 O=C(O)CCN1CCCCC1 MCULE-4134014685 [0,0,0,0,0,0|1,0,0]=1 119 B11R1.91 O=C(O)CCN1CCCCC1 MCULE-8800912377 [0,0,0,0,0,0|1,0,0]=1 120 B11R1.91 O=C(O)CCN1CCCCO1 MCULE-2996089701 [0,0,0,0,0,0|2,0,0]=2 121 B11R1.91 O=C(O)CCN1CCCCO1 MCULE-3766668240 [0,0,0,0,0,0|2,0,0]=2 122 B11R1.91 O=C(O)CCN1CCNCC1 MCULE-2278927702 [0,0,0,0,0,0|2,0,0]=2 123 B11R1.91 O=C(O)CCN1CCNCC1 MCULE-7245019533 [0,0,0,0,0,0|2,0,0]=2 124 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-1023466735 [0,0,0,0,0,0|2,0,0]=2 125 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-7724278716 [0,0,0,0,0,0|2,0,0]=2 126 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-8465184362 [0,0,0,0,0,0|2,0,0]=2 127 B11R1.91 O=C(O)CCN1CCSCC1 MCULE-5978659919 [0,0,0,0,0,0|2,0,0]=2 128 B11R1.91 O=C(O)CCN1CCSCC1 MCULE-8911727730 [0,0,0,0,0,0|2,0,0]=2 129 B11R1.91 O=C(O)CC[C@@H]1CNCCO1 MCULE-1561801705 [0,0,0,0,0,0|2,0,0]=2 130 B11R1.91 O=C(O)CC[C@@H]1CNCCO1 MCULE-1829190625 [0,0,0,0,0,0|2,0,0]=2 131 B11R1.91 O=C(O)CC[C@H]1CNCCO1 MCULE-4904929048 [0,0,0,0,0,0|2,0,0]=2 132 B11R1.91 O=C(O)CC[C@H]1CNCCO1 MCULE-9655711335 [0,0,0,0,0,0|2,0,0]=2 133 B11R1.91 O=C(O)CNC1=NCCCC1 MCULE-3814369220 [0,0,0,0,0,0|2,0,1]=3 134 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-5220210342 [0,0,0,0,0,0|1,0,0]=1 135 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-9313520636 [0,0,0,0,0,0|1,0,0]=1 136 B11R1.91 O=C(O)CNC1CCOCC1 MCULE-7657301692 [0,0,0,0,0,0|2,0,0]=2 137 B11R1.91 O=C(O)COC1CCCCC1 MCULE-9015047559 [0,0,0,0,0,0|1,0,0]=1 138 B11R1.91 O=C(O)COC1CCCOC1 MCULE-6982251312 [0,0,0,0,0,0|2,0,0]=2 139 B11R1.91 O=C(O)COC1CCNCC1 MCULE-8120083070 [0,0,0,0,0,0|2,0,0]=2 140 B11R1.91 O=C(O)COC1CCNCC1 MCULE-9462178764 [0,0,0,0,0,0|2,0,0]=2 141 B11R1.91 O=C(O)COC1CCOCC1 MCULE-2803382098 [0,0,0,0,0,0|2,0,0]=2 142 B11R1.91 O=C(O)CSC1=NCCCN1 MCULE-3750099768 [0,0,0,0,0,0|3,0,1]=4 143 B11R1.91 O=C(O)CSC1CCCCC1 MCULE-2242180425 [0,0,0,0,0,0|1,0,0]=1 144 B11R1.91 O=C(O)CSC1CCCCO1 MCULE-8580492168 [0,0,0,0,0,0|2,0,0]=2 145 B11R1.91 O=C([O-])CCN1CCOCC1 MCULE-7377834147 [0,0,0,0,0,0|2,0,1]=3 146 B11R1.91 O=N(=O)CCC1CCCCC1 MCULE-2759348903 [0,0,0,0,0,0|1,0,1]=2 147 B11R1.91 O=N(=O)CCC1CCOCC1 MCULE-7297881653 [0,0,0,0,0,0|2,0,1]=3 148 B11R1.91 O=N(=O)CCC1OCCCO1 MCULE-2097161755 [0,0,0,0,0,0|3,0,1]=4 149 B11R1.91 OB(O)/C=C/C1CCCCC1 MCULE-8996819503 [0,0,0,0,0,0|1,0,3]=4 150 B11R1.91 OB(O)C=CC1CCCCC1 MCULE-6597215403 [0,0,0,0,0,0|1,0,3]=4 151 B11R1.91 OB(O)CCC1CCCCC1 MCULE-6802710012 [0,0,0,0,0,0|1,0,1]=2 152 B10R1.17 BrCCCC1CCCCC1 MCULE-3138331756 [1,0,0,0,0,0|1,0,1]=3 153 B10R1.17 BrCCCC1CCOCC1 MCULE-5395293889 [1,0,0,0,0,0|2,0,1]=4 154 B10R1.17 BrCCCN1CCCCC1 MCULE-2209895485 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.17 BrCCCN1CCCCC1 MCULE-6850782818 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.17 BrCCOC1CCCCC1 MCULE-5702602298 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.17 BrCCSC1CCCCC1 MCULE-1994150622 [1,0,0,0,0,0|2,0,1]=4 158 B10R1.17 C#CCCC1CCCCC1 MCULE-2956732689 [1,0,0,0,0,0|1,0,1]=3 159 B10R1.17 C#CCCC1CCNCC1 MCULE-5455119335 [1,0,0,0,0,0|2,0,1]=4 160 B10R1.17 C#CCCC1CCNCC1 MCULE-6315296446 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.17 C#CCCN1CCCCC1 MCULE-1794299925 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.17 C#CCNC1CCCCC1 MCULE-1953628275 [1,0,0,0,0,0|2,0,1]=4 163 B10R1.17 C#CCNC1CCCCC1 MCULE-1995981783 [1,0,0,0,0,0|2,0,1]=4 164 B10R1.17 C1(CCCCO1)OCC=C MCULE-8969392996 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.17 C=CCCN1CCNCC1 MCULE-8394131311 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.17 C=CCNC1CCCCC1 MCULE-2585284590 [1,0,0,0,0,0|2,0,0]=3 167 B10R1.17 C=CCOC1CCCNC1 MCULE-4607034691 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.17 C=CCOC1CCCNC1 MCULE-8884157712 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.17 C=CCOC1CCNCC1 MCULE-7831433514 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.17 C=CCOC1CCNCC1 MCULE-9276585051 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.17 CCCCC1CCCCC1 MCULE-2568850283 [1,0,0,0,0,0|1,0,1]=3 172 B10R1.17 CCCCC1CCCCN1 MCULE-1100697619 [1,0,0,0,0,0|2,0,1]=4 173 B10R1.17 CCCCC1CCCCN1 MCULE-8604986429 [1,0,0,0,0,0|2,0,1]=4 174 B10R1.17 CCCCC1CCCNC1 MCULE-2755229629 [1,0,0,0,0,0|2,0,1]=4 175 B10R1.17 CCCCC1CCCNC1 MCULE-8332785679 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.17 CCCCC1CCNCC1 MCULE-5497896254 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.17 CCCCC1CCNCC1 MCULE-6983922572 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.17 CCCCN1CCCCC1 MCULE-8831246877 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.17 CCCNC1CCCCC1 MCULE-1638695988 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.17 CCCNC1CCCCC1 MCULE-9064160511 [1,0,0,0,0,0|2,0,1]=4 181 B10R1.17 CCNCC1CCCCC1 MCULE-1647475331 [1,0,0,0,0,0|2,0,1]=4 182 B10R1.17 CCNCC1CCCCC1 MCULE-6498702629 [1,0,0,0,0,0|2,0,1]=4 183 B10R1.17 CNCCC1CCCCC1 MCULE-9916111513 [1,0,0,0,0,0|2,0,0]=3 184 B10R1.17 CNCCC1CCCCO1 MCULE-4536076135 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.17 CNCCC1CCCCO1 MCULE-9123549746 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.17 CNCCC1CCCOC1 MCULE-7569401687 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.17 CNCCC1CCNCC1 MCULE-1041745788 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.17 CNCCC1CCNCC1 MCULE-3720554537 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.17 CNCCC1CCOCC1 MCULE-1088966451 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.17 CNCCC1CCOCC1 MCULE-5319717125 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.17 CNCCN1CCCCC1 MCULE-4392171937 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.17 CNCCN1CCCCC1 MCULE-6599708742 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.17 CNOCC1CCCCC1 MCULE-3177796043 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.17 CNOCC1CCCCC1 MCULE-9389472328 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.17 COCCC1CCCCN1 MCULE-4851205306 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.17 COCCC1CCCCN1 MCULE-9206077882 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.17 COCCC1CCCNC1 MCULE-2418838562 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.17 COCCC1CCCNC1 MCULE-2776229522 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.17 COCCC1CCNCC1 MCULE-4430772865 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.17 COCCC1CCNCC1 MCULE-9930717569 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.17 CONCC1CCCCC1 MCULE-3167348154 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.17 CONCC1CCCCC1 MCULE-5366863474 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.17 ClCCCC1CCCCC1 MCULE-9703542324 [1,0,0,0,0,0|1,0,1]=3 204 B10R1.17 ClCCCN1CCCCC1 MCULE-3923882354 [1,0,0,0,0,0|2,0,1]=4 205 B10R1.17 ClCCCN1CCCCC1 MCULE-4945257002 [1,0,0,0,0,0|2,0,1]=4 206 B10R1.17 ClCCOC1CCCCC1 MCULE-1592615613 [1,0,0,0,0,0|2,0,1]=4 207 B10R1.17 ClCCSC1CCCCC1 MCULE-4569120853 [1,0,0,0,0,0|2,0,1]=4 208 B10R1.17 ICCCC1CCCCC1 MCULE-3721842593 [1,0,0,0,0,0|1,0,1]=3 209 B10R1.17 N#CCCC1CCCCC1 MCULE-1308152967 [1,0,0,0,0,0|1,0,1]=3 210 B10R1.17 N#CCCC1CCNCC1 MCULE-4556835827 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.17 N#CCCC1CCNCC1 MCULE-8997855934 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.17 N#CCCC1CCOCC1 MCULE-1272718385 [1,0,0,0,0,0|2,0,1]=4 213 B10R1.17 N#CCCN1CCCCC1 MCULE-6746131809 [1,0,0,0,0,0|2,0,1]=4 214 B10R1.17 N#CCNC1CCCCC1 MCULE-3972332588 [1,0,0,0,0,0|2,0,1]=4 215 B10R1.17 N#N=NCC1CCCCC1 MCULE-5766592796 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.17 NCCCC1CCCCC1 MCULE-6337829624 [1,0,0,0,0,0|1,0,1]=3 217 B10R1.17 NCCCC1CCCCC1 MCULE-8205690727 [1,0,0,0,0,0|1,0,1]=3 218 B10R1.17 NCCCC1CCCCO1 MCULE-8380034501 [1,0,0,0,0,0|2,0,1]=4 219 B10R1.17 NCCCC1CCCNC1 MCULE-1939938811 [1,0,0,0,0,0|2,0,1]=4 220 B10R1.17 NCCCC1CCCNC1 MCULE-4530553976 [1,0,0,0,0,0|2,0,1]=4 221 B10R1.17 NCCCC1CCNCC1 MCULE-7762699076 [1,0,0,0,0,0|2,0,1]=4 222 B10R1.17 NCCCC1CCOCC1 MCULE-3825722061 [1,0,0,0,0,0|2,0,1]=4 223 B10R1.17 NCCCC1CCOCC1 MCULE-7895457492 [1,0,0,0,0,0|2,0,1]=4 224 B10R1.17 NCCCN1CCCCC1 MCULE-1851117442 [1,0,0,0,0,0|2,0,1]=4 225 B10R1.17 NCCCN1CCCCC1 MCULE-3048721420 [1,0,0,0,0,0|2,0,1]=4 226 B10R1.17 NCCNC1CCCCC1 MCULE-5255437259 [1,0,0,0,0,0|2,0,1]=4 227 B10R1.17 NCCOC1CCCCC1 MCULE-6094788525 [1,0,0,0,0,0|2,0,1]=4 228 B10R1.17 NCCOC1CCCCC1 MCULE-7825800002 [1,0,0,0,0,0|2,0,1]=4 229 B10R1.17 NCCSC1CCCCC1 MCULE-4703376485 [1,0,0,0,0,0|2,0,1]=4 230 B10R1.17 NNCCC1CCCCC1 MCULE-1394503563 [1,0,0,0,0,0|2,0,0]=3 231 B10R1.17 NNCCC1CCCCC1 MCULE-2159579511 [1,0,0,0,0,0|2,0,0]=3 232 B10R1.17 NNCCN1CCCCC1 MCULE-4417100352 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.17 NNCCN1CCCCC1 MCULE-7675090893 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.17 NOCCC1CCCCC1 MCULE-8421298103 [1,0,0,0,0,0|2,0,0]=3 235 B10R1.17 NOCCC1CCCCC1 MCULE-8505614906 [1,0,0,0,0,0|2,0,0]=3 236 B10R1.17 O=C=NCC1CCCCC1 MCULE-8641797577 [1,0,0,0,0,0|1,0,1]=3 237 B10R1.17 O=C=NCC1CCOCC1 MCULE-2100162057 [1,0,0,0,0,0|2,0,1]=4 238 B10R1.17 O=CC=CC1CCCCC1 MCULE-6888009707 [1,0,0,0,0,0|0,0,2]=3 239 B10R1.17 O=CCCC1CCCCC1 MCULE-7542460978 [1,0,0,0,0,0|0,0,0]=1 240 B10R1.17 O=CCCC1CCOCC1 MCULE-9926976903 [1,0,0,0,0,0|1,0,0]=2 241 B10R1.17 O=CCCN1CCCCC1 MCULE-1060522965 [1,0,0,0,0,0|1,0,0]=2 242 B10R1.17 O=CCCN1CCOCC1 MCULE-6110490684 [1,0,0,0,0,0|2,0,0]=3 243 B10R1.17 O=CCOC1CCCCC1 MCULE-6729274923 [1,0,0,0,0,0|1,0,0]=2 244 B10R1.17 O=CCOC1CCCCO1 MCULE-5185852140 [1,0,0,0,0,0|2,0,0]=3 245 B10R1.17 O=CCOC1CCOCC1 MCULE-9271510143 [1,0,0,0,0,0|2,0,0]=3 246 B10R1.17 OCC#CC1CCCCC1 MCULE-9546014594 [1,0,0,0,0,0|0,0,3]=4 247 B10R1.17 OCCCC1CCCCC1 MCULE-6307495993 [1,0,0,0,0,0|0,0,1]=2 248 B10R1.17 OCCCC1CCCCN1 MCULE-4753823032 [1,0,0,0,0,0|1,0,1]=3 249 B10R1.17 OCCCC1CCCCN1 MCULE-7684357711 [1,0,0,0,0,0|1,0,1]=3 250 B10R1.17 OCCCC1CCCCO1 MCULE-8974781617 [1,0,0,0,0,0|1,0,1]=3 251 B10R1.17 OCCCC1CCCNC1 MCULE-5587440064 [1,0,0,0,0,0|1,0,1]=3 252 B10R1.17 OCCCC1CCNCC1 MCULE-8103308194 [1,0,0,0,0,0|1,0,1]=3 253 B10R1.17 OCCCC1CCNCC1 MCULE-9288109884 [1,0,0,0,0,0|1,0,1]=3 254 B10R1.17 OCCCC1CCOCC1 MCULE-4181244746 [1,0,0,0,0,0|1,0,1]=3 255 B10R1.17 OCCCC1COCCN1 MCULE-9098893478 [1,0,0,0,0,0|2,0,1]=4 256 B10R1.17 OCCCN1CCCCC1 MCULE-8412207622 [1,0,0,0,0,0|1,0,1]=3 257 B10R1.17 OCCCN1CCNCC1 MCULE-5377933441 [1,0,0,0,0,0|2,0,1]=4 258 B10R1.17 OCCCN1CCNCC1 MCULE-7253946968 [1,0,0,0,0,0|2,0,1]=4 259 B10R1.17 OCCCN1CCOCC1 MCULE-2404532157 [1,0,0,0,0,0|2,0,1]=4 260 B10R1.17 OCCCN1CCSCC1 MCULE-2615999032 [1,0,0,0,0,0|2,0,1]=4 261 B10R1.17 OCCNC1CCCCC1 MCULE-7503084631 [1,0,0,0,0,0|1,0,1]=3 262 B10R1.17 OCCNC1CCCSC1 MCULE-1081530361 [1,0,0,0,0,0|2,0,1]=4 263 B10R1.17 OCCNC1CCCSC1 MCULE-1542564940 [1,0,0,0,0,0|2,0,1]=4 264 B10R1.17 OCCNC1CCOCC1 MCULE-6554373438 [1,0,0,0,0,0|2,0,1]=4 265 B10R1.17 OCCOC1CCCCC1 MCULE-9282353409 [1,0,0,0,0,0|1,0,1]=3 266 B10R1.17 OCCOC1CCCCO1 MCULE-1557608362 [1,0,0,0,0,0|2,0,1]=4 267 B10R1.17 OCCOC1CCCNC1 MCULE-7362774206 [1,0,0,0,0,0|2,0,1]=4 268 B10R1.17 OCCOC1CCCNC1 MCULE-8501316048 [1,0,0,0,0,0|2,0,1]=4 269 B10R1.17 OCCOC1CCNCC1 MCULE-4503750133 [1,0,0,0,0,0|2,0,1]=4 270 B10R1.17 OCCOC1CCOCC1 MCULE-1971491679 [1,0,0,0,0,0|2,0,1]=4 271 B10R1.17 OCCOC1CCSCC1 MCULE-9829521375 [1,0,0,0,0,0|2,0,1]=4 272 B10R1.17 S=C=NCC1CCCCC1 MCULE-2178824617 [1,0,0,0,0,0|1,1,1]=4 273 B12R1.21 CC(=O)CCN1CCN(CC1)C MCULE-5875119316 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.21 CC(=O)NCC1CCC(=O)CC1 MCULE-9044781376 [0,1,0,0,0,0|2,0,1]=4 275 B12R1.21 CC(=O)SC[C@H]1CC[C@@H](CC1)N MCULE-6711585956 [0,1,0,0,0,0|2,0,0]=3 276 B12R1.21 CC(=O)SC[C@H]1CC[C@@H](CC1)N MCULE-9356026775 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.21 CC1CCC(CC1)OCC(=O)O MCULE-3906347654 [0,1,0,0,0,0|1,0,0]=2 278 B12R1.21 CC1CCN(CC1)CCC(=N)N MCULE-3699025473 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.21 CC1CCN(CC1)CCC(=N)N MCULE-4641642389 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.21 CC1CCN(CC1)CCC(=O)N MCULE-9374395485 [0,1,0,0,0,0|2,0,0]=3 281 B12R1.21 CC1CCN(CC1)CCC(=O)O MCULE-2878454112 [0,1,0,0,0,0|1,0,0]=2 282 B12R1.21 CC1CC[NH+](CC1)CCC(=O)O MCULE-8844394642 [0,1,0,0,0,0|1,0,0]=2 283 B12R1.21 CN(C)CC[C@H]1CC[C@H](CC1)N MCULE-9520672534 [0,1,0,0,0,0|3,0,0]=4 284 B12R1.21 CN1CCC(CC1)CCC(=O)O MCULE-2352268379 [0,1,0,0,0,0|1,0,0]=2 285 B12R1.21 CN1CCC(CC1)CCC(=O)O MCULE-5230181915 [0,1,0,0,0,0|1,0,0]=2 286 B12R1.21 CN1CCC(CC1)NCC(=O)O MCULE-1028235136 [0,1,0,0,0,0|2,0,0]=3 287 B12R1.21 CN1CCC(CC1)NCC(=O)O MCULE-1844187145 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.21 CN1CCC(CC1)NCC(=O)O MCULE-2824894839 [0,1,0,0,0,0|2,0,0]=3 289 B12R1.21 CN1CCC(CC1)OCC(=O)O MCULE-2494292636 [0,1,0,0,0,0|2,0,0]=3 290 B12R1.21 CN1CCC(CC1)OCC(=O)O MCULE-2925460339 [0,1,0,0,0,0|2,0,0]=3 291 B12R1.21 CN1CCN(CC1)CCC(=O)O MCULE-1064558305 [0,1,0,0,0,0|2,0,0]=3 292 B12R1.21 CN1CCN(CC1)CCC(=O)O MCULE-8851231968 [0,1,0,0,0,0|2,0,0]=3 293 B12R1.21 C[C@H]1CC[C@@H](CC1)CCC(=O)O MCULE-7082492863 [0,1,0,0,0,0|0,0,0]=1 294 B12R1.21 C[NH+]1CC[NH+](CC1)CCC(=O)O MCULE-4626055005 [0,1,0,0,0,0|2,0,0]=3 295 B12R1.21 NC(=O)CNC1CCC(CC1)N MCULE-8943771451 [0,1,0,0,0,0|2,0,0]=3 296 B12R1.21 NC1CCC(CC1)CCC(=O)O MCULE-3578215541 [0,1,0,0,0,0|0,0,0]=1 297 B12R1.21 NC1CCC(CC1)NCC(=O)O MCULE-5319227851 [0,1,0,0,0,0|1,0,0]=2 298 B12R1.21 O=C(O)CCC1CCC(=O)CC1 MCULE-5805639266 [0,1,0,0,0,0|0,0,1]=2 299 B12R1.21 O=C(O)CCC1CCC(=O)NC1 MCULE-4463958596 [0,1,0,0,0,0|1,0,1]=3 300 B12R1.21 O=C(O)CCN1CCC(=O)CC1 MCULE-3345805432 [0,1,0,0,0,0|1,0,1]=3 301 B12R1.21 O=C(O)CCN1CCC(CC1)O MCULE-9235280130 [0,1,0,0,0,0|1,0,0]=2 302 B12R1.21 O=C(O)CCN1CCC(CC1)O MCULE-9990533659 [0,1,0,0,0,0|1,0,0]=2 303 B12R1.21 O=C(O)CCN1CCS(=O)CC1 MCULE-2459585373 [0,1,0,0,0,0|2,0,0]=3 304 B12R1.21 O=C(O)CNC1CCC(=O)CC1 MCULE-8506813160 [0,1,0,0,0,0|1,0,1]=3 305 B12R1.21 O=C(O)CNC1CCC(CC1)Br MCULE-6782284499 [0,1,0,0,0,0|1,0,0]=2 306 B12R1.21 O=C(O)CNC1CCC(CC1)Cl MCULE-6608935546 [0,1,0,0,0,0|1,0,0]=2 307 B12R1.21 O=C(O)CNC1CCC(CC1)I MCULE-2374737750 [0,1,0,0,0,0|1,0,0]=2 308 B12R1.21 O=C(O)CNC1CCC(CC1)O MCULE-5139328392 [0,1,0,0,0,0|1,0,0]=2 309 B12R1.27 C=CC(=O)NCC1CCCCC1 MCULE-7329688046 [0,1,0,0,0,0|2,0,0]=3 310 B12R1.27 CCC(=O)NCC1CCCNC1 MCULE-5633343157 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.27 CCC(=O)NCC1CCCNC1 MCULE-6467786994 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.27 CCC(=O)NCC1CCNCC1 MCULE-3780855037 [0,1,0,0,0,0|3,0,0]=4 313 B12R1.27 CCC(=O)OCC1CCCNC1 MCULE-2489657295 [0,1,0,0,0,0|3,0,0]=4 314 B12R1.27 CCC(=O)OCC1CCCNC1 MCULE-8408389472 [0,1,0,0,0,0|3,0,0]=4 315 B12R1.27 CCC(=O)OCC1CCNCC1 MCULE-5222904628 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.27 CCC(=O)OCC1CCNCC1 MCULE-5616950169 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.27 CNC(=O)CCC1CCCCC1 MCULE-4673526571 [0,1,0,0,0,0|1,0,0]=2 318 B12R1.27 CNC(=O)CCC1CCCCN1 MCULE-1058691471 [0,1,0,0,0,0|2,0,0]=3 319 B12R1.27 CNC(=O)CCC1CCCCN1 MCULE-6199763890 [0,1,0,0,0,0|2,0,0]=3 320 B12R1.27 CNC(=O)CCC1CCCNC1 MCULE-4365216369 [0,1,0,0,0,0|2,0,0]=3 321 B12R1.27 CNC(=O)CCC1CCCNC1 MCULE-4665588497 [0,1,0,0,0,0|2,0,0]=3 322 B12R1.27 CNC(=O)CCC1CCNCC1 MCULE-5487007846 [0,1,0,0,0,0|2,0,0]=3 323 B12R1.27 CNC(=O)CCN1CCOCC1 MCULE-4174589609 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.27 CNC(=O)COC1CCCNC1 MCULE-2715424748 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.27 CNC(=O)COC1CCNCC1 MCULE-2600111396 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.27 CNC(=O)NCC1CCCCN1 MCULE-3730836172 [0,1,0,0,0,0|3,0,0]=4 327 B12R1.27 CNC(=O)NCC1CCCCN1 MCULE-8425442544 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.27 CNC(=O)NCC1CCCNC1 MCULE-7979434109 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.27 CNC(=O)NCC1CCCNC1 MCULE-9415363799 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.27 CNC(=O)NCC1CCNCC1 MCULE-2623635808 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.27 CNC(=O)NCC1CCNCC1 MCULE-5910373356 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.27 CNC(=O)OCC1CCCCN1 MCULE-8493898337 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.27 CNC(=O)OCC1CCCCN1 MCULE-9322640567 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.27 CNC(=S)NCC1CCCCC1 MCULE-5209352714 [0,1,0,0,0,0|2,1,0]=4 335 B12R1.27 COC(=O)CCC1CCCCC1 MCULE-4982130149 [0,1,0,0,0,0|0,0,0]=1 336 B12R1.27 COC(=O)CCC1CCCCN1 MCULE-5430155727 [0,1,0,0,0,0|1,0,0]=2 337 B12R1.27 COC(=O)CCC1CCCCN1 MCULE-8425873185 [0,1,0,0,0,0|1,0,0]=2 338 B12R1.27 COC(=O)CCC1CCCNC1 MCULE-3207892462 [0,1,0,0,0,0|1,0,0]=2 339 B12R1.27 COC(=O)CCC1CCCNC1 MCULE-4998474197 [0,1,0,0,0,0|1,0,0]=2 340 B12R1.27 COC(=O)CCC1CCNCC1 MCULE-4070291371 [0,1,0,0,0,0|1,0,0]=2 341 B12R1.27 COC(=O)CCC1CCNCC1 MCULE-9899833979 [0,1,0,0,0,0|1,0,0]=2 342 B12R1.27 COC(=O)CCC1CNCCN1 MCULE-3646955067 [0,1,0,0,0,0|2,0,0]=3 343 B12R1.27 COC(=O)CCC1CNCCN1 MCULE-7815242180 [0,1,0,0,0,0|2,0,0]=3 344 B12R1.27 COC(=O)CCC1COCCN1 MCULE-2668736062 [0,1,0,0,0,0|2,0,0]=3 345 B12R1.27 COC(=O)CCC1COCCN1 MCULE-3833814360 [0,1,0,0,0,0|2,0,0]=3 346 B12R1.27 COC(=O)CCN1CCCCC1 MCULE-8363403616 [0,1,0,0,0,0|1,0,0]=2 347 B12R1.27 COC(=O)CCN1CCCCC1 MCULE-9158799668 [0,1,0,0,0,0|1,0,0]=2 348 B12R1.27 COC(=O)CCN1CCNCC1 MCULE-7011490046 [0,1,0,0,0,0|2,0,0]=3 349 B12R1.27 COC(=O)CCN1CCNCC1 MCULE-9475157340 [0,1,0,0,0,0|2,0,0]=3 350 B12R1.27 COC(=O)CCN1CCOCC1 MCULE-1223322617 [0,1,0,0,0,0|2,0,0]=3 351 B12R1.27 COC(=O)CCN1CCSCC1 MCULE-4456368053 [0,1,0,0,0,0|2,0,0]=3 352 B12R1.27 COC(=O)CNC1CCCCC1 MCULE-3628546494 [0,1,0,0,0,0|1,0,0]=2 353 B12R1.27 COC(=O)CNC1CCCCC1 MCULE-8461156941 [0,1,0,0,0,0|1,0,0]=2 354 B12R1.27 COC(=O)CNC1CCOCC1 MCULE-2414362668 [0,1,0,0,0,0|2,0,0]=3 355 B12R1.27 COC(=O)CNC1CCOCC1 MCULE-9240609938 [0,1,0,0,0,0|2,0,0]=3 356 B12R1.27 COC(=O)COC1CCCCC1 MCULE-2770584925 [0,1,0,0,0,0|1,0,0]=2 357 B12R1.27 COC(=O)COC1CCCCO1 MCULE-9132561989 [0,1,0,0,0,0|2,0,0]=3 358 B12R1.27 COC(=O)COC1CCNCC1 MCULE-1515730437 [0,1,0,0,0,0|2,0,0]=3 359 B12R1.27 COC(=O)COC1CCNCC1 MCULE-4644132320 [0,1,0,0,0,0|2,0,0]=3 360 B12R1.27 COC(=O)CSC1CCCCC1 MCULE-3029014522 [0,1,0,0,0,0|1,0,0]=2 361 B12R1.27 N/C(=N/O)/CCN1CCCCC1 MCULE-6992526811 [0,1,0,0,0,0|2,0,0]=3 362 B12R1.27 N/C(=N\O)/CCN1CCCCC1 MCULE-8593066538 [0,1,0,0,0,0|2,0,0]=3 363 B12R1.27 N/C(=N\O)/CCN1CCOCC1 MCULE-7385493844 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.27 NCC(=O)NCC1CCOCC1 MCULE-1317835404 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.27 NCC(=O)NCC1CCOCC1 MCULE-5996578540 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.27 NCC(O)COC1CCCCC1 MCULE-2904352773 [0,1,0,0,0,0|2,0,1]=4 367 B12R1.27 NCC(O)COC1CCCCC1 MCULE-8712160657 [0,1,0,0,0,0|2,0,1]=4 368 B12R1.27 NNC(=O)CCC1CCCCC1 MCULE-5265552441 [0,1,0,0,0,0|1,0,0]=2 369 B12R1.27 NNC(=O)CCC1CCCOC1 MCULE-8516252594 [0,1,0,0,0,0|2,0,0]=3 370 B12R1.27 NNC(=O)CCN1CCCCC1 MCULE-1695375615 [0,1,0,0,0,0|2,0,0]=3 371 B12R1.27 NNC(=O)CCN1CCOCC1 MCULE-1492545747 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.27 NNC(=O)CNC1CCCCC1 MCULE-1213092866 [0,1,0,0,0,0|2,0,0]=3 373 B12R1.27 O=C(CBr)CCC1CCCCO1 MCULE-5556789952 [0,1,0,0,0,0|2,0,0]=3 374 B12R1.27 O=C(CBr)NCC1CCCCC1 MCULE-2764680318 [0,1,0,0,0,0|2,0,0]=3 375 B12R1.27 O=C(CCC1CCCCC1)NO MCULE-7475709240 [0,1,0,0,0,0|0,0,0]=1 376 B12R1.27 O=C(CCl)NCC1CCCCC1 MCULE-9819057027 [0,1,0,0,0,0|2,0,0]=3 377 B12R1.27 O=C(CCl)NCC1CCOCC1 MCULE-5174847032 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.27 O=C(CCl)OCC1CCCNC1 MCULE-6743384126 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.27 O=C(CCl)OCC1CCCNC1 MCULE-9269183536 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.27 O=C(CCl)OCC1CCNCC1 MCULE-8846357134 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.27 O=C(CCl)OCC1CCNCC1 MCULE-9611865944 [0,1,0,0,0,0|3,0,0]=4 382 B12R1.27 O=C(CO)NCC1CCCCC1 MCULE-7174776825 [0,1,0,0,0,0|1,0,0]=2 383 B12R1.27 O=CC(=COC1CCCCC1)Br MCULE-6225560556 [0,1,0,0,0,0|2,0,1]=4 384 B12R1.27 OC(CCl)CNC1CCCCC1 MCULE-7228244822 [0,1,0,0,0,0|2,0,1]=4 385 B12R1.43 C=C(CN1CCCCC1)C(=O)O MCULE-4086003668 [0,1,0,0,0,0|1,0,1]=3 386 B12R1.43 C=C(CN1CCOCC1)C(=O)O MCULE-2720405682 [0,1,0,0,0,0|2,0,1]=4 387 B12R1.43 CC(=O)C(C)CN1CCCCC1 MCULE-2176063333 [0,1,0,0,0,0|2,0,0]=3 388 B12R1.43 CC(=O)N(C)CC1CCCCN1 MCULE-6000099480 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.43 CC(=O)N(C)CC1CCCNC1 MCULE-3350605427 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.43 CC(=O)N(C)CC1CCCNC1 MCULE-9438878816 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.43 CC(=O)N(C)CC1CCNCC1 MCULE-1296753220 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.43 CC(CC1CCCCC1)C(=O)O MCULE-5593770209 [0,1,0,0,0,0|0,0,0]=1 393 B12R1.43 CC(CC1CCCCN1)C(=O)O MCULE-2755004024 [0,1,0,0,0,0|1,0,0]=2 394 B12R1.43 CC(CC1CCCCN1)C(=O)O MCULE-7476245238 [0,1,0,0,0,0|1,0,0]=2 395 B12R1.43 CC(CC1CCCNC1)C(=O)O MCULE-3014272377 [0,1,0,0,0,0|1,0,0]=2 396 B12R1.43 CC(CC1CCCNC1)C(=O)O MCULE-5164954255 [0,1,0,0,0,0|1,0,0]=2 397 B12R1.43 CC(CC1CCNCC1)C(=O)O MCULE-1413560351 [0,1,0,0,0,0|1,0,0]=2 398 B12R1.43 CC(CC1CCNCC1)C(=O)O MCULE-4131542201 [0,1,0,0,0,0|1,0,0]=2 399 B12R1.43 CC(CC1CCOCC1)C(=O)O MCULE-8701973693 [0,1,0,0,0,0|1,0,0]=2 400 B12R1.43 CC(CN1CCCCC1)C(=O)O MCULE-1034953096 [0,1,0,0,0,0|1,0,0]=2 401 B12R1.43 CC(CN1CCCCC1)C(=O)O MCULE-2445155741 [0,1,0,0,0,0|1,0,0]=2 402 B12R1.43 CC(CN1CCOCC1)C(=O)O MCULE-5931804753 [0,1,0,0,0,0|2,0,0]=3 403 B12R1.43 CC(C[NH+]1CCOCC1)C(=O)O MCULE-4377838448 [0,1,0,0,0,0|2,0,0]=3 404 B12R1.43 CC(NC1CCCCC1)C(=O)O MCULE-2337671318 [0,1,0,0,0,0|1,0,0]=2 405 B12R1.43 CC(OC1CCCCC1)C(=O)O MCULE-3390289519 [0,1,0,0,0,0|1,0,0]=2 406 B12R1.43 C[C@H](CC1CCCCC1)C(=O)O MCULE-1498161955 [0,1,0,0,0,0|0,0,0]=1 407 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O MCULE-7949492561 [0,1,0,0,0,0|1,0,0]=2 408 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O MCULE-8747258792 [0,1,0,0,0,0|1,0,0]=2 409 B12R1.43 NC(=O)C(=O)NC1CCCCC1 MCULE-2516335776 [0,1,0,0,0,0|2,0,1]=4 410 B12R1.43 NC(=O)C(N)CN1CCOCC1 MCULE-3052749386 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 MCULE-2925655826 [0,1,0,0,0,0|1,0,0]=2 412 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 MCULE-7996338421 [0,1,0,0,0,0|1,0,0]=2 413 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 MCULE-8243136061 [0,1,0,0,0,0|1,0,0]=2 414 B12R1.43 NC(=O)[C@@H](N)CC1CCCCC1 MCULE-8981874598 [0,1,0,0,0,0|1,0,0]=2 415 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-4231962732 [0,1,0,0,0,0|0,0,0]=1 416 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-5441238803 [0,1,0,0,0,0|0,0,0]=1 417 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-5559107138 [0,1,0,0,0,0|0,0,0]=1 418 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-9351196605 [0,1,0,0,0,0|0,0,0]=1 419 B12R1.43 NC(CC1CCOCC1)C(=O)O MCULE-3782499699 [0,1,0,0,0,0|1,0,0]=2 420 B12R1.43 NC(CC1CCOCC1)C(=O)O MCULE-8813787947 [0,1,0,0,0,0|1,0,0]=2 421 B12R1.43 NC(CN1CCNCC1)C(=O)O MCULE-6112445045 [0,1,0,0,0,0|2,0,0]=3 422 B12R1.43 NC(CN1CCNCC1)C(=O)O MCULE-9896812285 [0,1,0,0,0,0|2,0,0]=3 423 B12R1.43 NC(CN1CCOCC1)C(=O)O MCULE-2006139914 [0,1,0,0,0,0|2,0,0]=3 424 B12R1.43 NC(CN1CCOCC1)C(=O)O MCULE-9043079943 [0,1,0,0,0,0|2,0,0]=3 425 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-1782298917 [0,1,0,0,0,0|0,0,0]=1 426 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-1829182577 [0,1,0,0,0,0|0,0,0]=1 427 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-2645618623 [0,1,0,0,0,0|0,0,0]=1 428 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-8551085565 [0,1,0,0,0,0|0,0,0]=1 429 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O MCULE-1647906724 [0,1,0,0,0,0|1,0,0]=2 430 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O MCULE-3558141373 [0,1,0,0,0,0|1,0,0]=2 431 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O MCULE-9537249167 [0,1,0,0,0,0|1,0,0]=2 432 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O MCULE-9665106160 [0,1,0,0,0,0|1,0,0]=2 433 B12R1.43 N[C@@H](CN1CCNCC1)C(=O)O MCULE-1402393212 [0,1,0,0,0,0|2,0,0]=3 434 B12R1.43 N[C@@H](CN1CCNCC1)C(=O)O MCULE-5238707864 [0,1,0,0,0,0|2,0,0]=3 435 B12R1.43 N[C@@H](CN1CCNCC1)C(=O)O MCULE-7943048524 [0,1,0,0,0,0|2,0,0]=3 436 B12R1.43 N[C@@H](CN1CCNCC1)C(=O)O MCULE-9411844365 [0,1,0,0,0,0|2,0,0]=3 437 B12R1.43 N[C@@H](CN1CCOCC1)C(=O)O MCULE-5887663442 [0,1,0,0,0,0|2,0,0]=3 438 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-3421636940 [0,1,0,0,0,0|0,0,0]=1 439 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-4892184412 [0,1,0,0,0,0|0,0,0]=1 440 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-5098090144 [0,1,0,0,0,0|0,0,0]=1 441 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-8153309063 [0,1,0,0,0,0|0,0,0]=1 442 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O MCULE-1997730867 [0,1,0,0,0,0|1,0,0]=2 443 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O MCULE-2898762909 [0,1,0,0,0,0|1,0,0]=2 444 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O MCULE-4075867386 [0,1,0,0,0,0|1,0,0]=2 445 B12R1.43 N[C@H](CC1CCOCC1)C(=O)O MCULE-6776158188 [0,1,0,0,0,0|1,0,0]=2 446 B12R1.43 N[C@H](CN1CCOCC1)C(=O)O MCULE-4790134437 [0,1,0,0,0,0|2,0,0]=3 447 B12R1.43 O=C(O)C(=CC1CCCCC1)F MCULE-2588722385 [0,1,0,0,0,0|0,0,2]=3 448 B12R1.43 O=C(O)C(=O)CC1CCCCC1 MCULE-2990391321 [0,1,0,0,0,0|0,0,1]=2 449 B12R1.43 O=C(O)C(=O)NC1CCCCC1 MCULE-9213832688 [0,1,0,0,0,0|1,0,1]=3 450 B12R1.43 O=C(O)C(F)CC1CCCCC1 MCULE-7464253405 [0,1,0,0,0,0|0,0,0]=1 451 B12R1.43 O=C(O)C(O)CC1CCCCC1 MCULE-9641279057 [0,1,0,0,0,0|0,0,0]=1 452 B12R1.43 O=C(O)C(O)CC1CCOCC1 MCULE-6691815074 [0,1,0,0,0,0|1,0,0]=2 453 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 MCULE-2560030099 [0,1,0,0,0,0|0,0,0]=1 454 B12R1.43 O=C(O)[C@H](O)CC1CCCCC1 MCULE-1111579897 [0,1,0,0,0,0|0,0,0]=1 455 B12R1.43 O=C(O)[C@H](O)CC1CCCCC1 MCULE-1257034455 [0,1,0,0,0,0|0,0,0]=1 456 B12R1.107 C=C(Br)CN(C)C1CCCCC1 MCULE-3922158410 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.107 CC(=CC(=O)O)C1CCCCC1 MCULE-1521149204 [0,1,0,0,0,0|0,0,2]=3 458 B12R1.107 CC(=O)CC(=O)C1CCCCC1 MCULE-5013219868 [0,1,0,0,0,0|1,0,1]=3 459 B12R1.107 CC(=O)NC(C)C1CCNCC1 MCULE-7787784421 [0,1,0,0,0,0|3,0,0]=4 460 B12R1.107 CC(CC(=O)O)C1CCCCC1 MCULE-5146752612 [0,1,0,0,0,0|0,0,0]=1 461 B12R1.107 CC(CC(=O)O)C1CCNCC1 MCULE-4155328285 [0,1,0,0,0,0|1,0,0]=2 462 B12R1.107 CC(CC(=O)O)C1COCCO1 MCULE-9669755956 [0,1,0,0,0,0|2,0,0]=3 463 B12R1.107 CC(CC(=O)O)N1CCCCC1 MCULE-5546995806 [0,1,0,0,0,0|1,0,0]=2 464 B12R1.107 CC(CC(=O)O)N1CCCCC1 MCULE-8811572713 [0,1,0,0,0,0|1,0,0]=2 465 B12R1.107 CC(CC(=O)O)N1CCOCC1 MCULE-7868090057 [0,1,0,0,0,0|2,0,0]=3 466 B12R1.107 CC(CC(=O)O)N1CCOCC1 MCULE-9159267461 [0,1,0,0,0,0|2,0,0]=3 467 B12R1.107 CN(CC(=O)O)C1CCCCC1 MCULE-8538488249 [0,1,0,0,0,0|1,0,0]=2 468 B12R1.107 CN(CC(=O)O)C1CCCCC1 MCULE-8582183581 [0,1,0,0,0,0|1,0,0]=2 469 B12R1.107 CN(CC(=O)O)C1CCNCC1 MCULE-5744482363 [0,1,0,0,0,0|2,0,0]=3 470 B12R1.107 CN(CC(=O)O)C1CCNCC1 MCULE-5812424158 [0,1,0,0,0,0|2,0,0]=3 471 B12R1.107 NC(CC(=O)O)C1CC=CCC1 MCULE-4298708464 [0,1,0,0,0,0|0,0,2]=3 472 B12R1.107 NC(CC(=O)O)C1CCCCC1 MCULE-3734527997 [0,1,0,0,0,0|0,0,0]=1 473 B12R1.107 NC(CC(=O)O)C1CCCCC1 MCULE-8095164306 [0,1,0,0,0,0|0,0,0]=1 474 B12R1.107 NC(CC(=O)O)C1CCCOC1 MCULE-6067693399 [0,1,0,0,0,0|1,0,0]=2 475 B12R1.107 NC(CC(=O)O)C1CCCOC1 MCULE-9538415271 [0,1,0,0,0,0|1,0,0]=2 476 B12R1.107 NC(CC(=O)O)C1CCOCC1 MCULE-3602136384 [0,1,0,0,0,0|1,0,0]=2 477 B12R1.107 NC(CC(=O)O)C1CCOCC1 MCULE-4838977044 [0,1,0,0,0,0|1,0,0]=2 478 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 MCULE-1722747072 [0,1,0,0,0,0|0,0,0]=1 479 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 MCULE-4345050528 [0,1,0,0,0,0|0,0,0]=1 480 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 MCULE-6774023632 [0,1,0,0,0,0|0,0,0]=1 481 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-5426257730 [0,1,0,0,0,0|0,0,0]=1 482 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-6223565506 [0,1,0,0,0,0|0,0,0]=1 483 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-8271946680 [0,1,0,0,0,0|0,0,0]=1 484 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-9947760299 [0,1,0,0,0,0|0,0,0]=1 485 B12R1.107 O=C(O)CC(=O)N1CCNCC1 MCULE-1507666932 [0,1,0,0,0,0|2,0,1]=4 486 B12R1.107 O=C(O)CC(=O)N1CCNCC1 MCULE-4796976721 [0,1,0,0,0,0|2,0,1]=4 487 B12R1.107 O=C(O)CC(=O)N1CCOCC1 MCULE-5354791137 [0,1,0,0,0,0|2,0,1]=4 488 B12R1.125 CC(=O)OCC1CCCCC1=O MCULE-8211145047 [0,1,0,0,0,0|2,0,1]=4 489 B12R1.125 CC(C)CCC1CCCCC1O MCULE-6442392278 [0,1,0,0,0,0|2,0,1]=4 490 B12R1.125 CC1CCCCC1OCC(=O)O MCULE-2149192016 [0,1,0,0,0,0|1,0,0]=2 491 B12R1.125 CC1CCCCN1CCC(=N)N MCULE-2398652845 [0,1,0,0,0,0|3,0,0]=4 492 B12R1.125 CC1CCCCN1CCC(=N)N MCULE-7004020111 [0,1,0,0,0,0|3,0,0]=4 493 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-2264327508 [0,1,0,0,0,0|1,0,0]=2 494 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-6515087928 [0,1,0,0,0,0|1,0,0]=2 495 B12R1.125 CC1CNCCC1CCC(=O)O MCULE-8609285846 [0,1,0,0,0,0|1,0,0]=2 496 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-7324723252 [0,1,0,0,0,0|1,0,0]=2 497 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-8814910063 [0,1,0,0,0,0|1,0,0]=2 498 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-6538296828 [0,1,0,0,0,0|0,0,0]=1 499 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-9802411985 [0,1,0,0,0,0|0,0,0]=1 500 B12R1.125 O=C(Cl)CCN1CCCCC1=O MCULE-9679609199 [0,1,0,0,0,0|2,0,1]=4 501 B12R1.125 O=C(O)CCC1=CCCCC1=O MCULE-7543238538 [0,1,0,0,0,0|0,0,3]=4 502 B12R1.125 O=C(O)CCC1CCCCC1=O MCULE-4224119563 [0,1,0,0,0,0|0,0,1]=2 503 B12R1.125 O=C(O)CCN1CCCCC1=O MCULE-6569100258 [0,1,0,0,0,0|1,0,1]=3 504 B12R1.125 O=C(O)CSC1CCCCC1O MCULE-9209996677 [0,1,0,0,0,0|1,0,0]=2 505 B12R1.226 CC(O)CNC1CCCC(C1)C MCULE-6450152667 [0,1,0,0,0,0|2,0,1]=4 506 B12R1.226 CC1CCCC(C1)OCC(=O)O MCULE-3536391684 [0,1,0,0,0,0|1,0,0]=2 507 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-1932078578 [0,1,0,0,0,0|1,0,0]=2 508 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-5507374908 [0,1,0,0,0,0|1,0,0]=2 509 B12R1.226 CN1CCCC(C1)CCC(=O)O MCULE-3500988064 [0,1,0,0,0,0|1,0,0]=2 510 B12R1.226 CN1CCCC(C1)CCC(=O)O MCULE-8728115483 [0,1,0,0,0,0|1,0,0]=2 511 B12R1.226 CN1CCCC(C1)NCC(=O)O MCULE-6721661189 [0,1,0,0,0,0|2,0,0]=3 512 B12R1.226 CN1CCCC(C1)OCC(=O)O MCULE-6639864622 [0,1,0,0,0,0|2,0,0]=3 513 B12R1.226 CN1CCC[C@@H](C1)NCC(=O)O MCULE-3675830850 [0,1,0,0,0,0|2,0,0]=3 514 B12R1.226 CN1CCC[C@@H](C1)OCC(=O)O MCULE-2069209067 [0,1,0,0,0,0|2,0,0]=3 515 B12R1.226 CN1CCC[C@H](C1)NCC(=O)O MCULE-9295632716 [0,1,0,0,0,0|2,0,0]=3 516 B12R1.226 CN1CCC[C@H](C1)OCC(=O)O MCULE-1022208079 [0,1,0,0,0,0|2,0,0]=3 517 B12R1.226 NC1CCCC(C1)CCC(=O)O MCULE-1427868111 [0,1,0,0,0,0|0,0,0]=1 518 B12R1.226 O=C(O)CCC1CCCC(=O)N1 MCULE-3373923105 [0,1,0,0,0,0|1,0,1]=3 519 B12R1.226 O=C(O)CCN1CCNC(=O)C1 MCULE-1196913749 [0,1,0,0,0,0|2,0,1]=4 520 B12R1.891 CC(C)(O)CNC1CCCCC1 MCULE-8775888033 [0,1,0,0,0,0|2,0,1]=4 521 B12R1.891 CS(=O)(=O)CCC1CCCCN1 MCULE-2291185388 [0,1,0,0,0,0|2,0,1]=4 522 B12R1.891 CS(=O)(=O)CCC1CCCCN1 MCULE-2955692204 [0,1,0,0,0,0|2,0,1]=4 523 B12R1.891 CS(=O)(=O)CCC1CCNCC1 MCULE-2361985442 [0,1,0,0,0,0|2,0,1]=4 524 B12R1.891 CS(=O)(=O)CCC1CCNCC1 MCULE-8243876494 [0,1,0,0,0,0|2,0,1]=4 525 B12R1.891 CS(=O)(=O)NCC1CCCCC1 MCULE-7214898905 [0,1,0,0,0,0|2,0,1]=4 526 B12R1.891 NS(=O)(=O)CCC1CCCCC1 MCULE-2360578309 [0,1,0,0,0,0|1,0,1]=3 527 B12R1.891 NS(=O)(=O)CCC1CCCCN1 MCULE-8769795461 [0,1,0,0,0,0|2,0,1]=4 528 B12R1.891 NS(=O)(=O)CCC1CCCCN1 MCULE-9797145595 [0,1,0,0,0,0|2,0,1]=4 529 B12R1.891 NS(=O)(=O)CCC1CCCCO1 MCULE-2123421417 [0,1,0,0,0,0|2,0,1]=4 530 B12R1.891 NS(=O)(=O)CCC1CCNCC1 MCULE-6009892342 [0,1,0,0,0,0|2,0,1]=4 531 B12R1.891 NS(=O)(=O)NCC1CCCCC1 MCULE-7411455973 [0,1,0,0,0,0|2,0,1]=4 532 B12R1.891 O=S(=O)(Cl)CCC1CCCCC1 MCULE-1325872536 [0,1,0,0,0,0|1,0,1]=3 533 B12R1.891 O=S(=O)(Cl)CCC1CCCCO1 MCULE-1323308549 [0,1,0,0,0,0|2,0,1]=4 534 B12R1.891 O=S(=O)(Cl)CCC1CCCOC1 MCULE-6785187576 [0,1,0,0,0,0|2,0,1]=4 535 B12R1.891 O=S(=O)(Cl)CCC1CCOCC1 MCULE-5638833183 [0,1,0,0,0,0|2,0,1]=4 536 B12R1.891 O=S(=O)(F)CCC1CCCCN1 MCULE-6666212910 [0,1,0,0,0,0|2,0,1]=4 537 B12R1.891 O=S(=O)(F)CCC1CCCCN1 MCULE-8220113864 [0,1,0,0,0,0|2,0,1]=4 538 B12R1.891 O=S(=O)(O)CCC1CCNCC1 MCULE-5986223279 [0,1,0,0,0,0|2,0,0]=3 539 B12R1.891 O=S(=O)(O)CCN1CCNCC1 MCULE-5356364387 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.891 O=S(=O)(O)CCN1CCOCC1 MCULE-2780053976 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.3110 CC(=O)NCC1(CCCCC1)N MCULE-6978852027 [0,1,0,0,0,0|2,0,0]=3 542 B12R1.3110 CC(=O)NCC1(CCCCC1)N MCULE-7572327873 [0,1,0,0,0,0|2,0,0]=3 543 B12R1.3110 CC(=O)NCC1(CCNCC1)F MCULE-2596531738 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.3110 CC(=O)NCC1(CCNCC1)F MCULE-3498259882 [0,1,0,0,0,0|3,0,0]=4 545 B12R1.3110 CC1(CCCCC1)CCC(=O)O MCULE-4030655928 [0,1,0,0,0,0|0,0,0]=1 546 B12R1.3110 CC1(CCOCC1)OCC(=O)O MCULE-9546718249 [0,1,0,0,0,0|2,0,0]=3 547 B12R1.3110 NC1(CCCCC1)CCC(=O)O MCULE-7944829065 [0,1,0,0,0,0|0,0,0]=1 548 B12R1.3110 NC1(CCCCC1)CCC(=O)O MCULE-8909515747 [0,1,0,0,0,0|0,0,0]=1 549 B12R1.3110 O=C(O)C#CC1(CCCCC1)O MCULE-9539141010 [0,1,0,0,0,0|0,0,2]=3 550 B12R1.3110 O=C(O)C#CC1(CCOCC1)O MCULE-6933549125 [0,1,0,0,0,0|1,0,2]=4 551 B10R0.4 C#CCCCCCCC(=O)O MCULE-9844370313 [0,0,1,0,0,0|0,0,2]=3 552 B10R0.4 C(=CC(=O)O)CCCCCC MCULE-5063564829 [0,0,1,0,0,0|0,0,2]=3 553 B10R0.4 C=C(Br)CCCCCCCC MCULE-6632348327 [0,0,1,0,0,0|2,0,0]=3 554 B10R0.4 C=C(Br)CCCCCCCCl MCULE-7158264521 [0,0,1,0,0,0|3,0,0]=4 555 B10R0.4 C=C(C)CCCCCCCC MCULE-2486247417 [0,0,1,0,0,0|2,0,0]=3 556 B10R0.4 C=C(C)CCCCCCCCl MCULE-1277821807 [0,0,1,0,0,0|3,0,0]=4 557 B10R0.4 C=C(Cl)CCCCCCCC MCULE-5745154351 [0,0,1,0,0,0|2,0,0]=3 558 B10R0.4 C=C(Cl)CCCCCCCCl MCULE-2676680423 [0,0,1,0,0,0|3,0,0]=4 559 B10R0.4 C=CCCCCCCC(=O)C MCULE-3952725967 [0,0,1,0,0,0|1,0,2]=4 560 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [0,0,1,0,0,0|0,0,2]=3 561 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [0,0,1,0,0,0|2,0,0]=3 562 B10R0.4 CC(=O)NCCCCCCN MCULE-6988947031 [0,0,1,0,0,0|3,0,0]=4 563 B10R0.4 CC(=O)OCCCCCCBr MCULE-9658847674 [0,0,1,0,0,0|3,0,0]=4 564 B10R0.4 CC(=O)OCCCCCCCl MCULE-2777138332 [0,0,1,0,0,0|3,0,0]=4 565 B10R0.4 CC(=O)SCCCCCCN MCULE-6118060031 [0,0,1,0,0,0|3,0,0]=4 566 B10R0.4 CC(=O)SCCCCCCN MCULE-7116355086 [0,0,1,0,0,0|3,0,0]=4 567 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [0,0,1,0,0,0|0,0,2]=3 568 B10R0.4 CCCCCC/C=C/C(=O)O MCULE-8167234483 [0,0,1,0,0,0|0,0,2]=3 569 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [0,0,1,0,0,0|0,0,2]=3 570 B10R0.4 CCCCCCC=CC(=O)C MCULE-7025674174 [0,0,1,0,0,0|1,0,2]=4 571 B10R0.4 CCCCCCCCB(O)O MCULE-9483383226 [0,0,1,0,0,0|1,0,1]=3 572 B10R0.4 CCCCCCCCC(=N)N MCULE-1846296312 [0,0,1,0,0,0|2,0,0]=3 573 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [0,0,1,0,0,0|1,0,0]=2 574 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [0,0,1,0,0,0|1,0,0]=2 575 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [0,0,1,0,0,0|1,0,0]=2 576 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [0,0,1,0,0,0|0,0,0]=1 577 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [0,0,1,0,0,0|0,0,1]=2 578 B10R0.4 CCCCCCCCC(C)C MCULE-3505579656 [0,0,1,0,0,0|2,0,1]=4 579 B10R0.4 CCCCCCCCC(C)O MCULE-3577613701 [0,0,1,0,0,0|1,0,1]=3 580 B10R0.4 CCCCCCCCN(=O)=O MCULE-2507397154 [0,0,1,0,0,0|1,0,1]=3 581 B10R0.4 CCCCCCCCN(C)C MCULE-2841483956 [0,0,1,0,0,0|3,0,0]=4 582 B10R0.4 CCCCCCCCN(C)C MCULE-8695073136 [0,0,1,0,0,0|3,0,0]=4 583 B10R0.4 CCCCCCCC[C@@H](C)Br MCULE-8624556030 [0,0,1,0,0,0|2,0,1]=4 584 B10R0.4 CCCCCCCC[C@@H](C)O MCULE-6511994487 [0,0,1,0,0,0|1,0,1]=3 585 B10R0.4 CCCCCCCC[C@H](C)O MCULE-7200709868 [0,0,1,0,0,0|1,0,1]=3 586 B10R0.4 CCCCCCCNC(=O)C MCULE-3916780915 [0,0,1,0,0,0|2,0,0]=3 587 B10R0.4 CCCCCCCNC(=S)N MCULE-7534812314 [0,0,1,0,0,0|2,1,0]=4 588 B10R0.4 CCCCCCCOC(=O)C MCULE-7061891812 [0,0,1,0,0,0|2,0,0]=3 589 B10R0.4 CCCCCCCOC(=O)Cl MCULE-9018506867 [0,0,1,0,0,0|2,0,0]=3 590 B10R0.4 CCCCCCCOC(=S)[S-] MCULE-1608327732 [0,0,1,0,0,0|1,2,0]=4 591 B10R0.4 CCCCCCCOC(=S)[S-] MCULE-7650100616 [0,0,1,0,0,0|1,2,0]=4 592 B10R0.4 CCCCCCCSC(=[NH2+])N MCULE-2803933619 [0,0,1,0,0,0|3,0,0]=4 593 B10R0.4 CCCCCCCSC(=[NH2+])N MCULE-5565074928 [0,0,1,0,0,0|3,0,0]=4 594 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [0,0,1,0,0,0|1,0,0]=2 595 B10R0.4 CCCCCCNCC(C)O MCULE-5617215322 [0,0,1,0,0,0|2,0,1]=4 596 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [0,0,1,0,0,0|1,0,0]=2 597 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [0,0,1,0,0,0|1,0,0]=2 598 B10R0.4 CCCCOCCOC(=O)C MCULE-4906127008 [0,0,1,0,0,0|3,0,0]=4 599 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [0,0,1,0,0,0|1,0,0]=2 600 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [0,0,1,0,0,0|1,0,0]=2 601 B10R0.4 CCOCCOCCC(=O)O MCULE-7483626719 [0,0,1,0,0,0|2,0,0]=3 602 B10R0.4 COCCCCCCN(=O)=O MCULE-3117222018 [0,0,1,0,0,0|2,0,1]=4 603 B10R0.4 COCCCNCCC(=O)N MCULE-2468408250 [0,0,1,0,0,0|3,0,0]=4 604 B10R0.4 COCCCOCCC(=O)O MCULE-5178930362 [0,0,1,0,0,0|2,0,0]=3 605 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [0,0,1,0,0,0|1,0,0]=2 606 B10R0.4 N#N=NCCCCCC(=O)O MCULE-1473761098 [0,0,1,0,0,0|3,0,0]=4 607 B10R0.4 NC(=O)CCCCCCCBr MCULE-4427479699 [0,0,1,0,0,0|2,0,0]=3 608 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [0,0,1,0,0,0|1,0,0]=2 609 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [0,0,1,0,0,0|1,0,0]=2 610 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [0,0,1,0,0,0|2,0,0]=3 611 B10R0.4 NCCCNCCCC(=O)O MCULE-2780784491 [0,0,1,0,0,0|2,0,0]=3 612 B10R0.4 NCCCNCCCC(=O)O MCULE-8488597292 [0,0,1,0,0,0|2,0,0]=3 613 B10R0.4 NCCOCCOCC(=O)O MCULE-8111157626 [0,0,1,0,0,0|3,0,0]=4 614 B10R0.4 NCCOCCOCC(=O)O MCULE-9455562840 [0,0,1,0,0,0|3,0,0]=4 615 B10R0.4 O=C(Cl)CCCCCCCBr MCULE-5775098735 [0,0,1,0,0,0|2,0,0]=3 616 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [0,0,1,0,0,0|1,0,0]=2 617 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [0,0,1,0,0,0|1,0,0]=2 618 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [0,0,1,0,0,0|1,0,0]=2 619 B10R0.4 O=C(O)COCCOCCCl MCULE-2275317201 [0,0,1,0,0,0|3,0,0]=4 620 B10R0.4 O=C(O)COCCOCCO MCULE-1507756107 [0,0,1,0,0,0|3,0,0]=4 621 B10R0.4 O=CCCCCCCC(=O)O MCULE-3146118588 [0,0,1,0,0,0|1,0,1]=3 622 B10R0.4 O=CNCCCCCC(=O)O MCULE-1392572274 [0,0,1,0,0,0|2,0,1]=4 623 B10R0.4 O=N(=O)CCCCCCCO MCULE-6021483764 [0,0,1,0,0,0|2,0,1]=4 624 B10R0.4 [C@H](C)(O)CCCCCCCC MCULE-7849954701 [0,0,1,0,0,0|1,0,1]=3 625 B10R0.78 CCCCC(=O)CCC(=O)O MCULE-7337930692 [0,0,1,0,0,0|1,0,1]=3 626 B10R0.78 CCCCC(=O)NCC(=O)O MCULE-9839707919 [0,0,1,0,0,0|2,0,1]=4 627 B10R0.78 CCCCC(C)CCC(=O)O MCULE-2454273176 [0,0,1,0,0,0|0,0,0]=1 628 B10R0.78 CCCCC(N)CCC(=O)O MCULE-2622598542 [0,0,1,0,0,0|1,0,0]=2 629 B10R0.78 CCCCC(N)CCC(=O)O MCULE-5683869807 [0,0,1,0,0,0|1,0,0]=2 630 B10R0.78 CCCCC(O)CCC(=O)O MCULE-6806538778 [0,0,1,0,0,0|1,0,0]=2 631 B10R0.78 CCCCC(O)CCC(=O)[O-] MCULE-9148086354 [0,0,1,0,0,0|1,0,1]=3 632 B10R0.78 CCCCN(C)CCC(=O)Cl MCULE-7206863872 [0,0,1,0,0,0|2,0,0]=3 633 B10R0.78 CCCCN(C)CCC(=O)Cl MCULE-9921667039 [0,0,1,0,0,0|2,0,0]=3 634 B10R0.78 CCCCN(C)CCC(=O)O MCULE-3286714152 [0,0,1,0,0,0|1,0,0]=2 635 B10R0.78 CCCCS(=O)CCC(=O)O MCULE-7420971633 [0,0,1,0,0,0|2,0,0]=3 636 B10R0.78 CCCC[C@H](C)CCC(=O)O MCULE-4790339661 [0,0,1,0,0,0|0,0,0]=1 637 B10R0.78 CCCNC(=O)CCC(=O)O MCULE-3093591706 [0,0,1,0,0,0|2,0,1]=4 638 B10R0.78 COCCN(C)CCC(=O)O MCULE-2595956640 [0,0,1,0,0,0|2,0,0]=3 639 B10R0.78 COCCN(C)CCC(=O)O MCULE-5654625094 [0,0,1,0,0,0|2,0,0]=3 640 B12R2.22 NC1CC(C1)C2CCCCC2 MCULE-1785644944 [0,0,0,1,0,0|2,0,1]=4 641 B12R2.22 NC1CC(C1)C2CCCCC2 MCULE-5806057588 [0,0,0,1,0,0|2,0,1]=4 642 B12R2.22 O=C1CC(C1)C2CCCCC2 MCULE-8479383540 [0,0,0,1,0,0|1,0,0]=2 643 B12R2.22 O=C1CC(C1)C2CCOCC2 MCULE-5710758476 [0,0,0,1,0,0|2,0,0]=3 644 B12R2.22 O[C@H]1C[C@H](C1)N2CCCCC2 MCULE-1548072738 [0,0,0,1,0,0|2,0,1]=4 645 B12R2.24 CC1CCC2CCCCC2C1 MCULE-4606886782 [0,0,0,1,0,0|2,0,1]=4 646 B12R2.24 CC1CCC2CCCCC2N1 MCULE-9774586861 [0,0,0,1,0,0|2,0,1]=4 647 B12R2.24 CC1CNC2CCCCC2O1 MCULE-2383696402 [0,0,0,1,0,0|2,0,1]=4 648 B12R2.24 NC1CCC2CCCCC2C1 MCULE-7370221449 [0,0,0,1,0,0|2,0,1]=4 649 B12R2.24 O=C1C=C2CCCCC2CC1 MCULE-1925425954 [0,0,0,1,0,0|1,0,1]=3 650 B12R2.24 O=C1C=C2CCOCC2CC1 MCULE-9618013702 [0,0,0,1,0,0|2,0,1]=4 651 B12R2.24 O=C1CCC2=C(N1)CCCC2 MCULE-7408822423 [0,0,0,1,0,0|1,0,2]=4 652 B12R2.24 O=C1CCC2=C(O1)CCCC2 MCULE-3616070284 [0,0,0,1,0,0|0,0,2]=3 653 B12R2.24 O=C1CCC2CCCCC2C1 MCULE-5132415908 [0,0,0,1,0,0|1,0,0]=2 654 B12R2.24 O=C1CCC2CCCCC2O1 MCULE-8264574980 [0,0,0,1,0,0|0,0,0]=1 655 B12R2.24 O=C1CCC2CCCNC2C1 MCULE-6331379359 [0,0,0,1,0,0|2,0,0]=3 656 B12R2.24 O=C1CCC2CNCCC2N1 MCULE-1605613797 [0,0,0,1,0,0|2,0,0]=3 657 B12R2.24 O=C1CCC2CNCCC2N1 MCULE-4751402400 [0,0,0,1,0,0|2,0,0]=3 658 B12R2.24 O=C1CCC2COCCC2C1 MCULE-2996737699 [0,0,0,1,0,0|2,0,0]=3 659 B12R2.24 O=C1CCN2CCCCC2C1 MCULE-8834975179 [0,0,0,1,0,0|2,0,0]=3 660 B12R2.24 O=C1CCN2CCOCC2C1 MCULE-9653993684 [0,0,0,1,0,0|3,0,0]=4 661 B12R2.24 O=C1CN2CCCCC2CN1 MCULE-4553224664 [0,0,0,1,0,0|3,0,0]=4 662 B12R2.24 O=C1CNC2CCCCC2N1 MCULE-4636303193 [0,0,0,1,0,0|2,0,0]=3 663 B12R2.24 O=C1CNC2CCCCC2O1 MCULE-1674440433 [0,0,0,1,0,0|1,0,0]=2 664 B12R2.24 O=C1COC2CCCCC2N1 MCULE-3544591104 [0,0,0,1,0,0|2,0,0]=3 665 B12R2.24 O=C1COC2CCNCC2N1 MCULE-1130505562 [0,0,0,1,0,0|3,0,0]=4 666 B12R2.24 O=C1COC2CCNCC2N1 MCULE-5181846565 [0,0,0,1,0,0|3,0,0]=4 667 B12R2.24 O=C1CO[C@@H]2CCNC[C@@H]2N1 MCULE-2122300192 [0,0,0,1,0,0|3,0,0]=4 668 B12R2.24 O=C1CO[C@@H]2CCNC[C@@H]2N1 MCULE-2435739067 [0,0,0,1,0,0|3,0,0]=4 669 B12R2.24 O=C1CO[C@@H]2CCNC[C@@H]2N1 MCULE-4034135790 [0,0,0,1,0,0|3,0,0]=4 670 B12R2.24 O=C1CO[C@@H]2CCNC[C@@H]2N1 MCULE-6259768801 [0,0,0,1,0,0|3,0,0]=4 671 B12R2.24 O=C1CSC2CCCCC2O1 MCULE-2850415472 [0,0,0,1,0,0|1,0,0]=2 672 B12R2.24 OC1CCC2CCCCC2C1 MCULE-5725182462 [0,0,0,1,0,0|1,0,1]=3 673 B12R2.24 OC1CCC2CCCNC2C1 MCULE-4579790899 [0,0,0,1,0,0|2,0,1]=4 674 B12R2.24 OC1CCC2CCCNC2C1 MCULE-4840138760 [0,0,0,1,0,0|2,0,1]=4 675 B12R2.24 OC1CCC2CNCCC2C1 MCULE-7272189208 [0,0,0,1,0,0|2,0,1]=4 676 B12R2.24 OC1CCC2NCCCC2C1 MCULE-3273737859 [0,0,0,1,0,0|2,0,1]=4 677 B12R2.24 O[C@H]1CC[C@H]2CCCC[C@@H]2C1 MCULE-4891406192 [0,0,0,1,0,0|1,0,1]=3 678 B12R2.24 [C@@H]12CCCCC1CC[C@H](C2)O MCULE-6819576815 [0,0,0,1,0,0|1,0,1]=3 679 B12R2.24 [C@@H]12CCCC[C@H]1NC(=O)CN2 MCULE-2920414481 [0,0,0,1,0,0|2,0,0]=3 680 B12R2.24 [C@@H]12CNCC[C@H]1COC(=O)N2 MCULE-4787024813 [0,0,0,1,0,0|3,0,0]=4 681 B12R2.24 [C@H]12CCCC[C@@H]1NC(=O)C=N2 MCULE-9965779527 [0,0,0,1,0,0|2,0,1]=4 682 B12R2.24 [C@H]12CCCC[C@H]1NC(=O)CN2 MCULE-7195121221 [0,0,0,1,0,0|2,0,0]=3 683 B12R2.24 [C@H]12CNCC[C@H]1OCC(=O)N2 MCULE-5046047827 [0,0,0,1,0,0|3,0,0]=4 684 B12R2.24 [C@H]12CNCC[C@H]1OCC(=O)N2 MCULE-8716788905 [0,0,0,1,0,0|3,0,0]=4 685 B12R2.93 O=S1(=O)CCC12CCNCC2 MCULE-2358214743 [0,0,0,1,0,0|2,0,1]=4 686 B12R2.93 O=S1(=O)CCC12CCNCC2 MCULE-8798588410 [0,0,0,1,0,0|2,0,1]=4 687 B12R2.250 NC(=O)C1OC12CCCCC2 MCULE-9044385023 [0,0,0,1,0,0|2,0,0]=3 688 B12R2.250 O=C(O)C1CC12CCCCC2 MCULE-2503310018 [0,0,0,1,0,0|0,0,0]=1 689 B12R2.250 O=C(O)C1CC12CCCNC2 MCULE-1681266618 [0,0,0,1,0,0|1,0,0]=2 690 B12R2.250 O=C(O)C1CC12CCCNC2 MCULE-3549112122 [0,0,0,1,0,0|1,0,0]=2 691 B12R2.250 O=C(O)C1CC12CCCOC2 MCULE-7358515114 [0,0,0,1,0,0|1,0,0]=2 692 B12R2.250 O=C(O)C1CC12CCNCC2 MCULE-3702584189 [0,0,0,1,0,0|1,0,0]=2 693 B12R2.250 O=C(O)C1CC12CCNCC2 MCULE-8315679139 [0,0,0,1,0,0|1,0,0]=2 694 B12R2.250 O=C(O)C1CC12CCOCC2 MCULE-1128195301 [0,0,0,1,0,0|1,0,0]=2 695 B12R2.250 O=C(O)C1CC12CCOCC2 MCULE-4318104876 [0,0,0,1,0,0|1,0,0]=2 696 B12R2.250 O=C(O)C1CC12CCSCC2 MCULE-1978392203 [0,0,0,1,0,0|1,0,0]=2 697 B12R2.250 O=C(O)C1OC12CCCCC2 MCULE-8536739574 [0,0,0,1,0,0|1,0,0]=2 698 B12R2.250 O=C(O)[C@@H]1CC12CCOCC2 MCULE-3036385474 [0,0,0,1,0,0|1,0,0]=2 699 B12R2.250 O=C(O)[C@@H]1CC12CCOCC2 MCULE-9402406943 [0,0,0,1,0,0|1,0,0]=2 700 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 MCULE-4473969470 [0,0,0,1,0,0|1,0,0]=2 701 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 MCULE-5930090560 [0,0,0,1,0,0|1,0,0]=2 702 B12R2.594 O=C1CC2CCCC(N2)CN1 MCULE-6880570407 [0,0,0,1,0,0|3,0,0]=4 703 B12R2.1367 O=C(O)CN1C2CCC1CC2 MCULE-1481808214 [0,0,0,1,0,0|1,0,0]=2 704 B12R2.1392 CC(=O)C1CC2C=CC1CC2 MCULE-2232302900 [0,0,0,1,0,0|1,0,2]=4 705 B12R2.1392 CC(=O)C1CC2CCC1CC2 MCULE-5557212745 [0,0,0,1,0,0|1,0,0]=2 706 B12R2.1392 CC(N)C1CC2CCC1CC2 MCULE-2862006858 [0,0,0,1,0,0|2,0,1]=4 707 B12R2.1392 CC(N)C1CC2CCC1CC2 MCULE-3027599675 [0,0,0,1,0,0|2,0,1]=4 708 B12R2.1392 CC(O)C1CC2CCC1CC2 MCULE-5936452265 [0,0,0,1,0,0|1,0,1]=3 709 B12R2.1392 NC(=O)C1CC2CCC1CC2 MCULE-5952869838 [0,0,0,1,0,0|1,0,0]=2 710 B12R2.1392 O=C(O)C1CC2C=CC1CC2 MCULE-5624348400 [0,0,0,1,0,0|0,0,2]=3 711 B12R2.1392 O=C(O)C1CC2C=CC1NC2 MCULE-3167400086 [0,0,0,1,0,0|1,0,2]=4 712 B12R2.1392 O=C(O)C1CC2C=CC1NC2 MCULE-7943843459 [0,0,0,1,0,0|1,0,2]=4 713 B12R2.1392 O=C(O)C1CC2CCC1CC2 MCULE-2962671213 [0,0,0,1,0,0|0,0,0]=1 714 B12R2.1392 O=C(O)C1CC2CCC1CC2 MCULE-3818372379 [0,0,0,1,0,0|0,0,0]=1 715 B12R2.1392 O=C(O)C1CC2CCC1NC2 MCULE-1236415863 [0,0,0,1,0,0|1,0,0]=2 716 B12R2.1392 O=C(O)C1CC2CCC1NC2 MCULE-6859105489 [0,0,0,1,0,0|1,0,0]=2 717 B12R2.1392 O=C(O)C1CC2CCN1CC2 MCULE-2932848984 [0,0,0,1,0,0|1,0,0]=2 718 B12R2.1392 O=C(O)C1CC2CCN1CC2 MCULE-7612344271 [0,0,0,1,0,0|1,0,0]=2 719 B12R2.1392 O=C(O)C1CC2CCN1CC2 MCULE-9044388786 [0,0,0,1,0,0|1,0,0]=2 720 B12R2.1392 O=C(O)C1CC2CCN1CC2 MCULE-9459659957 [0,0,0,1,0,0|1,0,0]=2 721 B12R2.1392 O=C(O)C1CN2CCC1CC2 MCULE-4064016827 [0,0,0,1,0,0|1,0,0]=2 722 B12R2.1392 O=C(O)C1CN2CCC1CC2 MCULE-6075389298 [0,0,0,1,0,0|1,0,0]=2 723 B12R2.1392 O=C(O)C1CN2CCN1CC2 MCULE-5187988179 [0,0,0,1,0,0|2,0,0]=3 724 B12R2.1392 O=C(O)C1CN2CCN1CC2 MCULE-5971881327 [0,0,0,1,0,0|2,0,0]=3 725 B12R2.1392 O=C(O)C1NC2CCC1CC2 MCULE-3569236190 [0,0,0,1,0,0|1,0,0]=2 726 B12R2.1392 O=C(O)C1NC2CCC1CC2 MCULE-9158864070 [0,0,0,1,0,0|1,0,0]=2 727 B12R2.1392 O=C(O)[C@@H]1CC2CCC1CC2 MCULE-1144961730 [0,0,0,1,0,0|0,0,0]=1 728 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 MCULE-5324528450 [0,0,0,1,0,0|1,0,0]=2 729 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 MCULE-7182963110 [0,0,0,1,0,0|1,0,0]=2 730 B12R2.1392 O=C(O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 MCULE-3959902732 [0,0,0,1,0,0|0,0,2]=3 731 B12R2.1392 O=C(O)[C@@H]1NC2CCC1CC2 MCULE-6195686243 [0,0,0,1,0,0|1,0,0]=2 732 B12R2.1392 O=C(O)[C@@H]1NC2CCC1CC2 MCULE-6946147326 [0,0,0,1,0,0|1,0,0]=2 733 B12R2.1392 O=C(O)[C@H]1CC2CCC1CC2 MCULE-5079027279 [0,0,0,1,0,0|0,0,0]=1 734 B12R2.1392 O=C(O)[C@H]1CC2CCC1CC2 MCULE-9891734674 [0,0,0,1,0,0|0,0,0]=1 735 B12R2.1392 O=C(O)[C@H]1CC2CCN1CC2 MCULE-6239448607 [0,0,0,1,0,0|1,0,0]=2 736 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 MCULE-1617197931 [0,0,0,1,0,0|1,0,0]=2 737 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 MCULE-1926890670 [0,0,0,1,0,0|1,0,0]=2 738 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 MCULE-2445923207 [0,0,0,1,0,0|1,0,0]=2 739 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 MCULE-4433008686 [0,0,0,1,0,0|1,0,0]=2 740 B12R2.1392 [C@@H]1(CC2CCN1CC2)C(=O)O MCULE-4249934614 [0,0,0,1,0,0|1,0,0]=2 741 B12R2.1392 [C@@H]1(CC2CCN1CC2)C(=O)O MCULE-9578754994 [0,0,0,1,0,0|1,0,0]=2 742 B12R2.1392 [C@@H]1(CC2CCN1CC2)C(=O)O MCULE-9963300684 [0,0,0,1,0,0|1,0,0]=2 743 B12R2.2918 CC1COC2(O1)CCCCC2 MCULE-7484660010 [0,0,0,1,0,0|2,0,1]=4 744 B12R2.2918 O=C1CC2(CCCCC2)CN1 MCULE-6823485026 [0,0,0,1,0,0|2,0,0]=3 745 B12R2.2918 O=C1CC2(CCCCC2)NN1 MCULE-6787356056 [0,0,0,1,0,0|3,0,0]=4 746 B12R2.2918 O=C1CC2(CCCCO2)CN1 MCULE-4289127491 [0,0,0,1,0,0|3,0,0]=4 747 B12R2.2918 O=C1CC2(CCCNC2)CN1 MCULE-2859952734 [0,0,0,1,0,0|3,0,0]=4 748 B12R2.2918 O=C1CC2(CCCNC2)CN1 MCULE-7922645076 [0,0,0,1,0,0|3,0,0]=4 749 B12R2.2918 O=C1CC2(CCCOC2)CN1 MCULE-8874604181 [0,0,0,1,0,0|3,0,0]=4 750 B12R2.2918 O=C1CC2(CCNCC2)CN1 MCULE-1089878474 [0,0,0,1,0,0|3,0,0]=4 751 B12R2.2918 O=C1CC2(CCNCC2)CN1 MCULE-6425896542 [0,0,0,1,0,0|3,0,0]=4 752 B12R2.2918 O=C1CC2(CCNCC2)CN1 MCULE-9363114897 [0,0,0,1,0,0|3,0,0]=4 753 B12R2.2918 O=C1CC2(CCNCC2)CN1 MCULE-9743701874 [0,0,0,1,0,0|3,0,0]=4 754 B12R2.2918 O=C1CC2(CCOCC2)CN1 MCULE-5812465485 [0,0,0,1,0,0|3,0,0]=4 755 B12R2.2918 O=C1CCC2(C1)CCCCC2 MCULE-9066804202 [0,0,0,1,0,0|1,0,0]=2 756 B12R2.2918 O=C1CCC2(N1)CCCCC2 MCULE-5736156500 [0,0,0,1,0,0|1,0,0]=2 757 B12R2.2918 O=C1CCC2(N1)CCNCC2 MCULE-2123389887 [0,0,0,1,0,0|2,0,0]=3 758 B12R2.2918 O=C1CCC2(N1)CCNCC2 MCULE-2948871796 [0,0,0,1,0,0|2,0,0]=3 759 B12R2.2918 O=C1CCC2(N1)CCNCC2 MCULE-7554250705 [0,0,0,1,0,0|2,0,0]=3 760 B12R2.2918 O=C1CCC2(O1)CCCCC2 MCULE-2524698119 [0,0,0,1,0,0|0,0,0]=1 761 B12R2.2918 O=C1CCC2(O1)CCCNC2 MCULE-2577773053 [0,0,0,1,0,0|1,0,0]=2 762 B12R2.2918 O=C1CCC2(O1)CCCNC2 MCULE-9482796143 [0,0,0,1,0,0|1,0,0]=2 763 B12R2.2918 O=C1CCC2(O1)CCNCC2 MCULE-5449830396 [0,0,0,1,0,0|1,0,0]=2 764 B12R2.2918 O=C1CCC2(O1)CCNCC2 MCULE-7439815792 [0,0,0,1,0,0|1,0,0]=2 765 B12R2.2918 O=C1CNC2(N1)CCCCC2 MCULE-1343250676 [0,0,0,1,0,0|2,0,0]=3 766 B12R2.2918 O=C1COC2(C1)CCNCC2 MCULE-4183757625 [0,0,0,1,0,0|3,0,0]=4 767 B12R2.2918 O=C1COC2(C1)CCNCC2 MCULE-9980536901 [0,0,0,1,0,0|3,0,0]=4 768 B12R2.2918 O=C1COC2(N1)CCNCC2 MCULE-9204504002 [0,0,0,1,0,0|3,0,0]=4 769 B12R2.2918 O=C1COC2(O1)CCCCC2 MCULE-2313287382 [0,0,0,1,0,0|1,0,0]=2 770 B12R2.2918 O=C1CSC2(N1)CCCCC2 MCULE-8806088221 [0,0,0,1,0,0|2,0,0]=3 771 B12R2.2918 O=C1CSC2(N1)CCNCC2 MCULE-1905964796 [0,0,0,1,0,0|3,0,0]=4 772 B12R2.2918 O=C1CSC2(N1)CCNCC2 MCULE-4985818562 [0,0,0,1,0,0|3,0,0]=4 773 B12R2.2918 O=C1CSC2(N1)CCOCC2 MCULE-4092925298 [0,0,0,1,0,0|3,0,0]=4 774 B12R2.2918 O=C1NC2(CCNCC2)CO1 MCULE-7367402375 [0,0,0,1,0,0|3,0,0]=4 775 B12R2.2918 O=C1NC2(CCNCC2)CO1 MCULE-7499633442 [0,0,0,1,0,0|3,0,0]=4 776 B12R2.2918 O=C1NC2(CCOCC2)CO1 MCULE-3435477882 [0,0,0,1,0,0|3,0,0]=4 777 B12R2.2918 O=C1NCC2(N1)CCNCC2 MCULE-1116427622 [0,0,0,1,0,0|3,0,0]=4 778 B12R2.2918 O=C1NCC2(N1)CCNCC2 MCULE-2587481038 [0,0,0,1,0,0|3,0,0]=4 779 B12R2.2918 O=C1NCC2(O1)CCCCC2 MCULE-5479893010 [0,0,0,1,0,0|1,0,0]=2 780 B12R2.2918 O=C1NCC2(O1)CCCNC2 MCULE-3807410263 [0,0,0,1,0,0|2,0,0]=3 781 B12R2.2918 O=C1NCC2(O1)CCCNC2 MCULE-6113783854 [0,0,0,1,0,0|2,0,0]=3 782 B12R2.2918 O=C1NCC2(O1)CCNCC2 MCULE-1720445749 [0,0,0,1,0,0|2,0,0]=3 783 B12R2.2918 O=C1NCC2(O1)CCNCC2 MCULE-2982199364 [0,0,0,1,0,0|2,0,0]=3 784 B12R2.2918 O=C1NCC2(O1)CCNCC2 MCULE-6335475631 [0,0,0,1,0,0|2,0,0]=3 785 B12R2.2918 O=C1OCC2(O1)CCNCC2 MCULE-2077507217 [0,0,0,1,0,0|2,0,0]=3 786 B12R2.2918 O=C1OCC2(O1)CCNCC2 MCULE-9643606091 [0,0,0,1,0,0|2,0,0]=3 787 B12R2.3190 O=C(O)[C@@H]1C[C@@H]2[C@H]1CNCC2 MCULE-4276510642 [0,0,0,1,0,0|1,0,0]=2 788 B12R2.3190 O=C(O)[C@@H]1C[C@@H]2[C@H]1CNCC2 MCULE-6673298372 [0,0,0,1,0,0|1,0,0]=2 789 B12R2.3190 O=C(O)[C@@H]1C[C@@H]2[C@H]1CNCC2 MCULE-9393277411 [0,0,0,1,0,0|1,0,0]=2 790 B12R2.3190 O=C(O)[C@@H]1C[C@@H]2[C@H]1CNCC2 MCULE-9559569552 [0,0,0,1,0,0|1,0,0]=2 791 B12R2.3190 [C@@H]12CNCC[C@@H]1CN2C(=O)C MCULE-5071612899 [0,0,0,1,0,0|3,0,0]=4 792 B10R1.18 C=C(Br)CN1CCCCC1 MCULE-2529486953 [0,0,0,0,1,0|3,0,0]=4 793 B10R1.18 C=C(Br)CN1CCCCC1 MCULE-3943310639 [0,0,0,0,1,0|3,0,0]=4 794 B10R1.18 CC(=O)C=C1CCCCC1 MCULE-8551739363 [0,0,0,0,1,0|1,0,2]=4 795 B10R1.18 CC(=O)CC1=CCCCC1 MCULE-7211325077 [0,0,0,0,1,0|1,0,2]=4 796 B10R1.18 CC(=O)CC1CCCCC1 MCULE-4557008527 [0,0,0,0,1,0|1,0,0]=2 797 B10R1.18 CC(=O)CC1CCCCN1 MCULE-1827771795 [0,0,0,0,1,0|2,0,0]=3 798 B10R1.18 CC(=O)CC1CCCCN1 MCULE-9317294757 [0,0,0,0,1,0|2,0,0]=3 799 B10R1.18 CC(=O)CC1CCCCO1 MCULE-1058487646 [0,0,0,0,1,0|2,0,0]=3 800 B10R1.18 CC(=O)CC1CCCOC1 MCULE-4781249046 [0,0,0,0,1,0|2,0,0]=3 801 B10R1.18 CC(=O)CC1CCNCC1 MCULE-3381787603 [0,0,0,0,1,0|2,0,0]=3 802 B10R1.18 CC(=O)CC1CCNCC1 MCULE-3485224360 [0,0,0,0,1,0|2,0,0]=3 803 B10R1.18 CC(=O)CC1CCOCC1 MCULE-6845890561 [0,0,0,0,1,0|2,0,0]=3 804 B10R1.18 CC(=O)CC1COCCN1 MCULE-5675632157 [0,0,0,0,1,0|3,0,0]=4 805 B10R1.18 CC(=O)CC1COCCN1 MCULE-9995133275 [0,0,0,0,1,0|3,0,0]=4 806 B10R1.18 CC(=O)CN1CCCCC1 MCULE-2519145455 [0,0,0,0,1,0|2,0,0]=3 807 B10R1.18 CC(=O)CN1CCCCC1 MCULE-8358959341 [0,0,0,0,1,0|2,0,0]=3 808 B10R1.18 CC(=O)CN1CCNCC1 MCULE-1332138521 [0,0,0,0,1,0|3,0,0]=4 809 B10R1.18 CC(=O)CN1CCNCC1 MCULE-9865179801 [0,0,0,0,1,0|3,0,0]=4 810 B10R1.18 CC(=O)CN1CCOCC1 MCULE-8273041201 [0,0,0,0,1,0|3,0,0]=4 811 B10R1.18 CC(=O)C[C@H]1CCCCN1 MCULE-2330430389 [0,0,0,0,1,0|2,0,0]=3 812 B10R1.18 CC(=O)NC1CCCCC1 MCULE-8353778142 [0,0,0,0,1,0|2,0,0]=3 813 B10R1.18 CC(=O)NC1CCCNC1 MCULE-2923451430 [0,0,0,0,1,0|3,0,0]=4 814 B10R1.18 CC(=O)NC1CCCNC1 MCULE-7850537912 [0,0,0,0,1,0|3,0,0]=4 815 B10R1.18 CC(=O)NC1CCNCC1 MCULE-7572445106 [0,0,0,0,1,0|3,0,0]=4 816 B10R1.18 CC(=O)NC1CCNCC1 MCULE-8162462660 [0,0,0,0,1,0|3,0,0]=4 817 B10R1.18 CC(=O)NC1CCOCC1 MCULE-8194699174 [0,0,0,0,1,0|3,0,0]=4 818 B10R1.18 CC(=O)N[C@@H]1CCCNC1 MCULE-3102769783 [0,0,0,0,1,0|3,0,0]=4 819 B10R1.18 CC(=O)N[C@@H]1CCCNC1 MCULE-4313494103 [0,0,0,0,1,0|3,0,0]=4 820 B10R1.18 CC(=O)N[C@H]1CCCNC1 MCULE-1582624021 [0,0,0,0,1,0|3,0,0]=4 821 B10R1.18 CC(=O)N[C@H]1CCCNC1 MCULE-7588247669 [0,0,0,0,1,0|3,0,0]=4 822 B10R1.18 CC(=O)OC1CCCCC1 MCULE-8221153491 [0,0,0,0,1,0|2,0,0]=3 823 B10R1.18 CC(=O)OC1CCCCS1 MCULE-7999769363 [0,0,0,0,1,0|3,0,0]=4 824 B10R1.18 CC(=O)OC1CCCNC1 MCULE-1733458491 [0,0,0,0,1,0|3,0,0]=4 825 B10R1.18 CC(=O)OC1CCCNC1 MCULE-4433179343 [0,0,0,0,1,0|3,0,0]=4 826 B10R1.18 CC(=O)OC1CCNCC1 MCULE-3223270695 [0,0,0,0,1,0|3,0,0]=4 827 B10R1.18 CC(=O)OC1CCNCC1 MCULE-4522205472 [0,0,0,0,1,0|3,0,0]=4 828 B10R1.18 CC(=O)OC1CCNCC1 MCULE-4714651381 [0,0,0,0,1,0|3,0,0]=4 829 B10R1.18 CC(C)CC1CCCCC1 MCULE-9687600634 [0,0,0,0,1,0|2,0,1]=4 830 B10R1.18 CC(N)CC1CCCCC1 MCULE-1142500303 [0,0,0,0,1,0|2,0,1]=4 831 B10R1.18 CC(N)CC1CCCCC1 MCULE-4437610086 [0,0,0,0,1,0|2,0,1]=4 832 B10R1.18 CC(O)CC1CCCCN1 MCULE-5900716273 [0,0,0,0,1,0|2,0,1]=4 833 B10R1.18 CC(O)CC1CCNCC1 MCULE-1313929313 [0,0,0,0,1,0|2,0,1]=4 834 B10R1.18 CC(O)CC1CCNCC1 MCULE-5363721367 [0,0,0,0,1,0|2,0,1]=4 835 B10R1.18 CC(O)CC1CCOCC1 MCULE-9609138177 [0,0,0,0,1,0|2,0,1]=4 836 B10R1.18 CC(O)CN1CCCCC1 MCULE-1185747422 [0,0,0,0,1,0|2,0,1]=4 837 B10R1.18 CN(C)CC1CCCCC1 MCULE-3568120318 [0,0,0,0,1,0|3,0,0]=4 838 B10R1.18 C[C@@H](O)CC1CCCCC1 MCULE-4273662766 [0,0,0,0,1,0|1,0,1]=3 839 B10R1.18 C[C@H](N)CC1CCCCC1 MCULE-7692733032 [0,0,0,0,1,0|2,0,1]=4 840 B10R1.18 C[C@H](N)CC1CCCCC1 MCULE-8735977904 [0,0,0,0,1,0|2,0,1]=4 841 B10R1.18 C[C@H](O)CC1CCCCC1 MCULE-7528064890 [0,0,0,0,1,0|1,0,1]=3 842 B10R1.18 N=C(N)CC1CCCCC1 MCULE-8473334050 [0,0,0,0,1,0|2,0,0]=3 843 B10R1.18 N=C(N)CC1CCCCC1 MCULE-9393856468 [0,0,0,0,1,0|2,0,0]=3 844 B10R1.18 N=C(N)NC1CCCCC1 MCULE-8462693519 [0,0,0,0,1,0|3,0,0]=4 845 B10R1.18 N=C(N)SC1CCCCC1 MCULE-2002714434 [0,0,0,0,1,0|3,0,0]=4 846 B10R1.18 N=C(N)SC1CCCCC1 MCULE-5487361105 [0,0,0,0,1,0|3,0,0]=4 847 B10R1.18 NC(=NC1CCCCC1)N MCULE-8896892004 [0,0,0,0,1,0|3,0,0]=4 848 B10R1.18 NC(=O)CC1CCCCC1 MCULE-4951525688 [0,0,0,0,1,0|1,0,0]=2 849 B10R1.18 NC(=O)CC1CCCCN1 MCULE-2185479052 [0,0,0,0,1,0|2,0,0]=3 850 B10R1.18 NC(=O)CC1CCCCN1 MCULE-4538477610 [0,0,0,0,1,0|2,0,0]=3 851 B10R1.18 NC(=O)CC1CCCNC1 MCULE-9261260462 [0,0,0,0,1,0|2,0,0]=3 852 B10R1.18 NC(=O)CC1CCCNC1 MCULE-9756580933 [0,0,0,0,1,0|2,0,0]=3 853 B10R1.18 NC(=O)CC1CCNCC1 MCULE-4391382932 [0,0,0,0,1,0|2,0,0]=3 854 B10R1.18 NC(=O)CC1CCNCC1 MCULE-4639158092 [0,0,0,0,1,0|2,0,0]=3 855 B10R1.18 NC(=O)CC1CCOCC1 MCULE-6220113088 [0,0,0,0,1,0|2,0,0]=3 856 B10R1.18 NC(=O)CC1CNCCO1 MCULE-2394638010 [0,0,0,0,1,0|3,0,0]=4 857 B10R1.18 NC(=O)CC1COCCN1 MCULE-1907387140 [0,0,0,0,1,0|3,0,0]=4 858 B10R1.18 NC(=O)CC1COCCN1 MCULE-6398693859 [0,0,0,0,1,0|3,0,0]=4 859 B10R1.18 NC(=O)CN1CCCCC1 MCULE-5267943459 [0,0,0,0,1,0|2,0,0]=3 860 B10R1.18 NC(=O)CN1CCNCC1 MCULE-6461649697 [0,0,0,0,1,0|3,0,0]=4 861 B10R1.18 NC(=O)CN1CCNCC1 MCULE-8801345143 [0,0,0,0,1,0|3,0,0]=4 862 B10R1.18 NC(=O)CN1CCNCC1 MCULE-9918766710 [0,0,0,0,1,0|3,0,0]=4 863 B10R1.18 NC(=O)CN1CCOCC1 MCULE-3991718253 [0,0,0,0,1,0|3,0,0]=4 864 B10R1.18 NC(=O)CN1CCSCC1 MCULE-5201971784 [0,0,0,0,1,0|3,0,0]=4 865 B10R1.18 NC(=O)NC1CCCCC1 MCULE-8036346010 [0,0,0,0,1,0|2,0,0]=3 866 B10R1.18 NC(=O)NC1CCCNC1 MCULE-6949169935 [0,0,0,0,1,0|3,0,0]=4 867 B10R1.18 NC(=O)NC1CCCNC1 MCULE-7043674090 [0,0,0,0,1,0|3,0,0]=4 868 B10R1.18 NC(=O)NC1CCNCC1 MCULE-6399383870 [0,0,0,0,1,0|3,0,0]=4 869 B10R1.18 NC(=O)NC1CCNCC1 MCULE-6486575063 [0,0,0,0,1,0|3,0,0]=4 870 B10R1.18 NC(=O)NC1CCOCC1 MCULE-4139742761 [0,0,0,0,1,0|3,0,0]=4 871 B10R1.18 NC(=O)OC1CCCCC1 MCULE-3235010863 [0,0,0,0,1,0|2,0,0]=3 872 B10R1.18 NC(=O)OC1CCOCC1 MCULE-5947388770 [0,0,0,0,1,0|3,0,0]=4 873 B10R1.18 NC(=S)CC1CCCCC1 MCULE-2529176221 [0,0,0,0,1,0|1,1,0]=3 874 B10R1.18 NC(=S)CN1CCCCC1 MCULE-2487691046 [0,0,0,0,1,0|2,1,0]=4 875 B10R1.18 NC(=S)NC1CCCCC1 MCULE-3435819926 [0,0,0,0,1,0|2,1,0]=4 876 B10R1.18 O=C(Cl)C=C1CCCCC1 MCULE-2919809771 [0,0,0,0,1,0|1,0,2]=4 877 B10R1.18 O=C(Cl)CC1CCCCC1 MCULE-2220383860 [0,0,0,0,1,0|1,0,0]=2 878 B10R1.18 O=C(Cl)CC1CCOCC1 MCULE-6068907888 [0,0,0,0,1,0|2,0,0]=3 879 B10R1.18 O=C(Cl)OC1CCCCC1 MCULE-4011557961 [0,0,0,0,1,0|2,0,0]=3 880 B10R1.18 O=C(Cl)OC1CCOCC1 MCULE-5361190443 [0,0,0,0,1,0|3,0,0]=4 881 B10R1.18 O=C(O)C=C1CCCCC1 MCULE-2830279446 [0,0,0,0,1,0|0,0,2]=3 882 B10R1.18 O=C(O)C=C1CCNCC1 MCULE-2946232230 [0,0,0,0,1,0|1,0,2]=4 883 B10R1.18 O=C(O)C=C1CCNCC1 MCULE-9183556093 [0,0,0,0,1,0|1,0,2]=4 884 B10R1.18 O=C(O)C=C1CCOCC1 MCULE-2596143817 [0,0,0,0,1,0|1,0,2]=4 885 B10R1.18 O=C(O)C=C1CCSCC1 MCULE-3222993494 [0,0,0,0,1,0|1,0,2]=4 886 B10R1.18 O=C(O)CC1=CCCCC1 MCULE-9909477927 [0,0,0,0,1,0|0,0,2]=3 887 B10R1.18 O=C(O)CC1=CCOCC1 MCULE-9800538477 [0,0,0,0,1,0|1,0,2]=4 888 B10R1.18 O=C(O)CC1C=CCCC1 MCULE-3207533436 [0,0,0,0,1,0|0,0,2]=3 889 B10R1.18 O=C(O)CC1CC=CCC1 MCULE-3427584067 [0,0,0,0,1,0|0,0,2]=3 890 B10R1.18 O=C(O)CC1CCCCC1 MCULE-3370925166 [0,0,0,0,1,0|0,0,0]=1 891 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7593127940 [0,0,0,0,1,0|1,0,0]=2 892 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7653711252 [0,0,0,0,1,0|1,0,0]=2 893 B10R1.18 O=C(O)CC1CCCCO1 MCULE-2711682647 [0,0,0,0,1,0|1,0,0]=2 894 B10R1.18 O=C(O)CC1CCCNC1 MCULE-3254470591 [0,0,0,0,1,0|1,0,0]=2 895 B10R1.18 O=C(O)CC1CCCNC1 MCULE-7958803985 [0,0,0,0,1,0|1,0,0]=2 896 B10R1.18 O=C(O)CC1CCCOC1 MCULE-5877605158 [0,0,0,0,1,0|1,0,0]=2 897 B10R1.18 O=C(O)CC1CCNCC1 MCULE-1130327966 [0,0,0,0,1,0|1,0,0]=2 898 B10R1.18 O=C(O)CC1CCNCC1 MCULE-2100213856 [0,0,0,0,1,0|1,0,0]=2 899 B10R1.18 O=C(O)CC1CCOCC1 MCULE-7878329119 [0,0,0,0,1,0|1,0,0]=2 900 B10R1.18 O=C(O)CC1CCSCC1 MCULE-3567762107 [0,0,0,0,1,0|1,0,0]=2 901 B10R1.18 O=C(O)CC1CNCCN1 MCULE-5141588986 [0,0,0,0,1,0|2,0,0]=3 902 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3058504133 [0,0,0,0,1,0|2,0,0]=3 903 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3387061328 [0,0,0,0,1,0|2,0,0]=3 904 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4327756750 [0,0,0,0,1,0|2,0,0]=3 905 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4883251317 [0,0,0,0,1,0|2,0,0]=3 906 B10R1.18 O=C(O)CC1COCCN1 MCULE-4486190659 [0,0,0,0,1,0|2,0,0]=3 907 B10R1.18 O=C(O)CC1COCCN1 MCULE-8010316572 [0,0,0,0,1,0|2,0,0]=3 908 B10R1.18 O=C(O)CC1COCCO1 MCULE-8632741098 [0,0,0,0,1,0|2,0,0]=3 909 B10R1.18 O=C(O)CC1CSCCS1 MCULE-4793456872 [0,0,0,0,1,0|2,0,0]=3 910 B10R1.18 O=C(O)CC1OCCCO1 MCULE-1471723881 [0,0,0,0,1,0|2,0,0]=3 911 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9137136186 [0,0,0,0,1,0|1,0,0]=2 912 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9769416161 [0,0,0,0,1,0|1,0,0]=2 913 B10R1.18 O=C(O)CN1CCNCC1 MCULE-4945447446 [0,0,0,0,1,0|2,0,0]=3 914 B10R1.18 O=C(O)CN1CCNCC1 MCULE-6990903527 [0,0,0,0,1,0|2,0,0]=3 915 B10R1.18 O=C(O)CN1CCNCC1 MCULE-8811795576 [0,0,0,0,1,0|2,0,0]=3 916 B10R1.18 O=C(O)CN1CCOCC1 MCULE-2955270234 [0,0,0,0,1,0|2,0,0]=3 917 B10R1.18 O=C(O)CN1CCOCC1 MCULE-5710414541 [0,0,0,0,1,0|2,0,0]=3 918 B10R1.18 O=C(O)CN1CCSCC1 MCULE-9107067895 [0,0,0,0,1,0|2,0,0]=3 919 B10R1.18 O=C(O)CN1CCSCC1 MCULE-9299535292 [0,0,0,0,1,0|2,0,0]=3 920 B10R1.18 O=C(O)C[C@@H]1CC=CCC1 MCULE-6316447839 [0,0,0,0,1,0|0,0,2]=3 921 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-3905830299 [0,0,0,0,1,0|1,0,0]=2 922 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-5277218457 [0,0,0,0,1,0|1,0,0]=2 923 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-7510387772 [0,0,0,0,1,0|1,0,0]=2 924 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-5325818659 [0,0,0,0,1,0|1,0,0]=2 925 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-7001078313 [0,0,0,0,1,0|1,0,0]=2 926 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-8120215253 [0,0,0,0,1,0|1,0,0]=2 927 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-9602652995 [0,0,0,0,1,0|1,0,0]=2 928 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4498530905 [0,0,0,0,1,0|2,0,0]=3 929 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4549445854 [0,0,0,0,1,0|2,0,0]=3 930 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-5055136882 [0,0,0,0,1,0|2,0,0]=3 931 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-7244079860 [0,0,0,0,1,0|2,0,0]=3 932 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-2046760558 [0,0,0,0,1,0|2,0,0]=3 933 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-4473145834 [0,0,0,0,1,0|2,0,0]=3 934 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-5100169676 [0,0,0,0,1,0|2,0,0]=3 935 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-3680996115 [0,0,0,0,1,0|1,0,0]=2 936 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-4674662417 [0,0,0,0,1,0|1,0,0]=2 937 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-1302740697 [0,0,0,0,1,0|1,0,0]=2 938 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-2509529219 [0,0,0,0,1,0|1,0,0]=2 939 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-3753473259 [0,0,0,0,1,0|1,0,0]=2 940 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-9619904988 [0,0,0,0,1,0|1,0,0]=2 941 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-1832902178 [0,0,0,0,1,0|2,0,0]=3 942 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5015018730 [0,0,0,0,1,0|2,0,0]=3 943 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5838446318 [0,0,0,0,1,0|2,0,0]=3 944 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-9119322865 [0,0,0,0,1,0|2,0,0]=3 945 B10R1.18 O=C(O)C[C@H]1COCCN1 MCULE-8571286067 [0,0,0,0,1,0|2,0,0]=3 946 B10R1.18 O=C(O)C[C@H]1COCCN1 MCULE-9555376320 [0,0,0,0,1,0|2,0,0]=3 947 B10R1.18 O=C(O)NC1CCCCC1 MCULE-5645794848 [0,0,0,0,1,0|1,0,0]=2 948 B10R1.18 O=N(=O)CC1CCCCO1 MCULE-3545576512 [0,0,0,0,1,0|2,0,1]=4 949 B10R1.18 O=P(O)CN1CCCCC1 MCULE-5899780033 [0,0,0,0,1,0|2,0,0]=3 950 B10R1.18 O=P([O-])CN1CCCCC1 MCULE-3993711100 [0,0,0,0,1,0|2,0,1]=4 951 B10R1.18 OB(O)CC1CCCCC1 MCULE-6141319242 [0,0,0,0,1,0|1,0,1]=3 952 B10R1.18 OB(O)CC1CCOCC1 MCULE-1164714789 [0,0,0,0,1,0|2,0,1]=4 953 B10R1.18 S=C([S-])NC1CCCCC1 MCULE-2536624531 [0,0,0,0,1,0|1,2,0]=4 954 B10R1.18 S=C([S-])NC1CCCCC1 MCULE-3227944350 [0,0,0,0,1,0|1,2,0]=4 955 B10R1.66 CC(=O)CCC1CCCC1 MCULE-9602514524 [0,0,0,0,1,0|1,0,0]=2 956 B10R1.66 CC(=O)NCC1CCCN1 MCULE-7607447093 [0,0,0,0,1,0|3,0,0]=4 957 B10R1.66 CC(=O)NCC1CCCN1 MCULE-9543275549 [0,0,0,0,1,0|3,0,0]=4 958 B10R1.66 CC(=O)NCC1CCCO1 MCULE-2959865168 [0,0,0,0,1,0|3,0,0]=4 959 B10R1.66 CC(=O)NCC1CCNC1 MCULE-1169092409 [0,0,0,0,1,0|3,0,0]=4 960 B10R1.66 CC(=O)NCC1CCNC1 MCULE-2188033072 [0,0,0,0,1,0|3,0,0]=4 961 B10R1.66 CC(=O)NCC1CCNC1 MCULE-8407363763 [0,0,0,0,1,0|3,0,0]=4 962 B10R1.66 CC(=O)NC[C@@H]1CCCN1 MCULE-5496183974 [0,0,0,0,1,0|3,0,0]=4 963 B10R1.66 CC(=O)OCC1CCCO1 MCULE-7611136571 [0,0,0,0,1,0|3,0,0]=4 964 B10R1.66 CC(=O)OCC1CCNC1 MCULE-3194324923 [0,0,0,0,1,0|3,0,0]=4 965 B10R1.66 CC(=O)OCC1CCNC1 MCULE-5886937054 [0,0,0,0,1,0|3,0,0]=4 966 B10R1.66 CC(N)CCC1CCCC1 MCULE-2436453972 [0,0,0,0,1,0|2,0,1]=4 967 B10R1.66 CC(N)CCC1CCCC1 MCULE-6147971168 [0,0,0,0,1,0|2,0,1]=4 968 B10R1.66 CC(O)CCC1CCCO1 MCULE-9471233943 [0,0,0,0,1,0|2,0,1]=4 969 B10R1.66 CC(O)CCN1CCCC1 MCULE-4044061046 [0,0,0,0,1,0|2,0,1]=4 970 B10R1.66 CC(O)CCN1CCCC1 MCULE-9858317853 [0,0,0,0,1,0|2,0,1]=4 971 B10R1.66 N=C(N)CCN1CCCC1 MCULE-1786886794 [0,0,0,0,1,0|3,0,0]=4 972 B10R1.66 N=C(N)CCN1CCCC1 MCULE-9755724579 [0,0,0,0,1,0|3,0,0]=4 973 B10R1.66 NC(=O)CCC1CCCC1 MCULE-6308384459 [0,0,0,0,1,0|1,0,0]=2 974 B10R1.66 NC(=O)CCN1CCCC1 MCULE-1109710642 [0,0,0,0,1,0|2,0,0]=3 975 B10R1.66 NC(=O)CNC1CCCC1 MCULE-5401113380 [0,0,0,0,1,0|2,0,0]=3 976 B10R1.66 NC(=O)CNC1CCCC1 MCULE-8595660552 [0,0,0,0,1,0|2,0,0]=3 977 B10R1.66 NC(=O)COC1CCCC1 MCULE-6280655419 [0,0,0,0,1,0|2,0,0]=3 978 B10R1.66 NC(=O)COC1CCNC1 MCULE-5330541162 [0,0,0,0,1,0|3,0,0]=4 979 B10R1.66 NC(=O)COC1CCNC1 MCULE-9721061747 [0,0,0,0,1,0|3,0,0]=4 980 B10R1.66 NC(=O)NCC1CCCN1 MCULE-3595646758 [0,0,0,0,1,0|3,0,0]=4 981 B10R1.66 NC(=O)NCC1CCCO1 MCULE-5540789879 [0,0,0,0,1,0|3,0,0]=4 982 B10R1.66 O=C(Cl)C=CC1CCCC1 MCULE-3150169908 [0,0,0,0,1,0|1,0,2]=4 983 B10R1.66 O=C(Cl)CCC1CCCC1 MCULE-6098498258 [0,0,0,0,1,0|1,0,0]=2 984 B10R1.66 O=C(Cl)OCC1CCCO1 MCULE-9360559044 [0,0,0,0,1,0|3,0,0]=4 985 B10R1.66 O=C(O)/C=C/C1CCCC1 MCULE-5196632480 [0,0,0,0,1,0|0,0,2]=3 986 B10R1.66 O=C(O)C#CC1CCCO1 MCULE-1325340304 [0,0,0,0,1,0|1,0,2]=4 987 B10R1.66 O=C(O)C#CC1CCOC1 MCULE-8365235824 [0,0,0,0,1,0|1,0,2]=4 988 B10R1.66 O=C(O)C=CC1CCCC1 MCULE-4492328269 [0,0,0,0,1,0|0,0,2]=3 989 B10R1.66 O=C(O)C=CC1CCCO1 MCULE-7330043473 [0,0,0,0,1,0|1,0,2]=4 990 B10R1.66 O=C(O)C=CC1CCOC1 MCULE-5170193830 [0,0,0,0,1,0|1,0,2]=4 991 B10R1.66 O=C(O)CCC1CCCC1 MCULE-4583118303 [0,0,0,0,1,0|0,0,0]=1 992 B10R1.66 O=C(O)CCC1CCCN1 MCULE-2613608732 [0,0,0,0,1,0|1,0,0]=2 993 B10R1.66 O=C(O)CCC1CCCN1 MCULE-8814917549 [0,0,0,0,1,0|1,0,0]=2 994 B10R1.66 O=C(O)CCC1CCCO1 MCULE-4111498968 [0,0,0,0,1,0|1,0,0]=2 995 B10R1.66 O=C(O)CCC1CCNC1 MCULE-8082069026 [0,0,0,0,1,0|1,0,0]=2 996 B10R1.66 O=C(O)CCC1CCNC1 MCULE-8359539011 [0,0,0,0,1,0|1,0,0]=2 997 B10R1.66 O=C(O)CCC1CCOC1 MCULE-9339795680 [0,0,0,0,1,0|1,0,0]=2 998 B10R1.66 O=C(O)CCC1OCCO1 MCULE-1077920259 [0,0,0,0,1,0|2,0,0]=3 999 B10R1.66 O=C(O)CCN1CCCC1 MCULE-4735526690 [0,0,0,0,1,0|1,0,0]=2 1000 B10R1.66 O=C(O)CCN1CCCC1 MCULE-6724732496 [0,0,0,0,1,0|1,0,0]=2 1001 B10R1.66 O=C(O)CCN1CCCO1 MCULE-4658280001 [0,0,0,0,1,0|2,0,0]=3 1002 B10R1.66 O=C(O)CCN1CCCO1 MCULE-5549624995 [0,0,0,0,1,0|2,0,0]=3 1003 B10R1.66 O=C(O)CC[C@@H]1CCCN1 MCULE-9918992229 [0,0,0,0,1,0|1,0,0]=2 1004 B10R1.66 O=C(O)CC[C@@H]1CCCO1 MCULE-8942407071 [0,0,0,0,1,0|1,0,0]=2 1005 B10R1.66 O=C(O)CC[C@H]1CCCO1 MCULE-8877470669 [0,0,0,0,1,0|1,0,0]=2 1006 B10R1.66 O=C(O)CNC1=NCCC1 MCULE-9201187486 [0,0,0,0,1,0|2,0,1]=4 1007 B10R1.66 O=C(O)CNC1CCCC1 MCULE-2656159228 [0,0,0,0,1,0|1,0,0]=2 1008 B10R1.66 O=C(O)CNC1CCCC1 MCULE-9561013929 [0,0,0,0,1,0|1,0,0]=2 1009 B10R1.66 O=C(O)COC1CCCC1 MCULE-2079008170 [0,0,0,0,1,0|1,0,0]=2 1010 B10R1.66 O=C(O)COC1CCOC1 MCULE-9235017197 [0,0,0,0,1,0|2,0,0]=3 1011 B10R1.66 O=C(O)CSC1CCCC1 MCULE-7601914378 [0,0,0,0,1,0|1,0,0]=2 1012 B12R1.252 C=C(C)CCCC1CCCCC1 MCULE-7799078786 [0,0,0,0,0,1|2,0,0]=3 1013 B12R1.252 C=C(C)COCC1CCCNC1 MCULE-1004823248 [0,0,0,0,0,1|3,0,0]=4 1014 B12R1.252 C=C(C)COCC1CCCNC1 MCULE-4866949514 [0,0,0,0,0,1|3,0,0]=4 1015 B12R1.252 C=C(C)COCC1CCNCC1 MCULE-3412640226 [0,0,0,0,0,1|3,0,0]=4 1016 B12R1.252 C=C(C)COCC1CCNCC1 MCULE-6377392075 [0,0,0,0,0,1|3,0,0]=4 1017 B12R1.252 CC(=O)CCC=C1CCCCC1 MCULE-1076445196 [0,0,0,0,0,1|1,0,1]=3 1018 B12R1.252 CC(=O)CCCC1CCCCC1 MCULE-5187598883 [0,0,0,0,0,1|1,0,0]=2 1019 B12R1.252 CC(=O)NCCC1CCCCN1 MCULE-5840104711 [0,0,0,0,0,1|2,0,0]=3 1020 B12R1.252 CC(=O)NCCC1CCCCN1 MCULE-7320206184 [0,0,0,0,0,1|2,0,0]=3 1021 B12R1.252 CC(=O)NCCC1CCCCN1 MCULE-9295576951 [0,0,0,0,0,1|2,0,0]=3 1022 B12R1.252 CC(=O)NCCC1CCCNC1 MCULE-2925470482 [0,0,0,0,0,1|2,0,0]=3 1023 B12R1.252 CC(=O)NCCC1CCCNC1 MCULE-7399408933 [0,0,0,0,0,1|2,0,0]=3 1024 B12R1.252 CC(=O)NCCC1CCNCC1 MCULE-7669887235 [0,0,0,0,0,1|2,0,0]=3 1025 B12R1.252 CC(=O)NCCC1CCNCC1 MCULE-9410705557 [0,0,0,0,0,1|2,0,0]=3 1026 B12R1.252 CC(=O)NN=CC1CCCCC1 MCULE-3184182040 [0,0,0,0,0,1|2,0,1]=4 1027 B12R1.252 CC(=O)OCC=C1CCCCC1 MCULE-5438727226 [0,0,0,0,0,1|1,0,2]=4 1028 B12R1.252 CC(=O)OCCC1CCCCN1 MCULE-1026387511 [0,0,0,0,0,1|2,0,0]=3 1029 B12R1.252 CC(=O)OCCC1CCCCN1 MCULE-3751642892 [0,0,0,0,0,1|2,0,0]=3 1030 B12R1.252 CC(=O)OCCC1CCCNC1 MCULE-1775660875 [0,0,0,0,0,1|2,0,0]=3 1031 B12R1.252 CC(=O)OCCC1CCCNC1 MCULE-7081319541 [0,0,0,0,0,1|2,0,0]=3 1032 B12R1.252 CC(=O)OCCC1CCNCC1 MCULE-3691332043 [0,0,0,0,0,1|2,0,0]=3 1033 B12R1.252 CC(=O)OCCC1CCNCC1 MCULE-8239323848 [0,0,0,0,0,1|2,0,0]=3 1034 B12R1.252 CC(=O)SCCC1CCCCC1 MCULE-8635148363 [0,0,0,0,0,1|1,0,0]=2 1035 B12R1.252 CC(=O)SCCN1CCCCC1 MCULE-2541705969 [0,0,0,0,0,1|2,0,0]=3 1036 B12R1.252 CC(=O)SCCN1CCCCC1 MCULE-8698410675 [0,0,0,0,0,1|2,0,0]=3 1037 B12R1.252 CC(N)COCC1CCCCC1 MCULE-4876295417 [0,0,0,0,0,1|2,0,1]=4 1038 B12R1.252 CC(N)COCC1CCCCC1 MCULE-7673894529 [0,0,0,0,0,1|2,0,1]=4 1039 B12R1.252 CC(O)CNCC1CCCCC1 MCULE-6837813049 [0,0,0,0,0,1|1,0,1]=3 1040 B12R1.252 CC(O)CNCC1CCCCC1 MCULE-6859220464 [0,0,0,0,0,1|1,0,1]=3 1041 B12R1.252 CN(C)CCNC1CCCCC1 MCULE-1312639012 [0,0,0,0,0,1|3,0,0]=4 1042 B12R1.252 CN(C)CCNC1CCCCC1 MCULE-5677454188 [0,0,0,0,0,1|3,0,0]=4 1043 B12R1.252 CN(C)CCNC1CCCCC1 MCULE-9341996430 [0,0,0,0,0,1|3,0,0]=4 1044 B12R1.252 NC(=O)CCCC1CCNCC1 MCULE-8068328020 [0,0,0,0,0,1|2,0,0]=3 1045 B12R1.252 NC(=O)CCNC1CCCCC1 MCULE-6961669869 [0,0,0,0,0,1|1,0,0]=2 1046 B12R1.252 NC(=O)CNCC1CCOCC1 MCULE-8061631380 [0,0,0,0,0,1|2,0,0]=3 1047 B12R1.252 NC(=O)NCCN1CCOCC1 MCULE-1294834192 [0,0,0,0,0,1|3,0,0]=4 1048 B12R1.252 NC(=O)NCCN1CCOCC1 MCULE-9846689144 [0,0,0,0,0,1|3,0,0]=4 1049 B12R1.252 NC(=S)NCCN1CCCCC1 MCULE-9997426361 [0,0,0,0,0,1|2,1,0]=4 1050 B12R1.252 O=C(Cl)CCCC1CCCCC1 MCULE-6685434994 [0,0,0,0,0,1|1,0,0]=2 1051 B12R1.252 O=C(O)/C=C/CN1CCCCC1 MCULE-2574027587 [0,0,0,0,0,1|1,0,1]=3 1052 B12R1.252 O=C(O)/C=C/CN1CCCCC1 MCULE-7976173160 [0,0,0,0,0,1|1,0,1]=3 1053 B12R1.252 O=C(O)/C=C/CN1CCOCC1 MCULE-7341775027 [0,0,0,0,0,1|2,0,1]=4 1054 B12R1.252 O=C(O)/C=C/CN1CCOCC1 MCULE-8937175290 [0,0,0,0,0,1|2,0,1]=4 1055 B12R1.252 O=C(O)C#CCN1CCOCC1 MCULE-5026359076 [0,0,0,0,0,1|2,0,1]=4 1056 B12R1.252 O=C(O)C=CCN1CCCCC1 MCULE-2313554291 [0,0,0,0,0,1|1,0,1]=3 1057 B12R1.252 O=C(O)C=CCN1CCCCC1 MCULE-5619896364 [0,0,0,0,0,1|1,0,1]=3 1058 B12R1.252 O=C(O)C=CCN1CCOCC1 MCULE-4167946514 [0,0,0,0,0,1|2,0,1]=4 1059 B12R1.252 O=C(O)C=CCN1CCOCC1 MCULE-4570784978 [0,0,0,0,0,1|2,0,1]=4 1060 B12R1.252 O=C(O)CCCC1CCCCC1 MCULE-8249292238 [0,0,0,0,0,1|0,0,0]=1 1061 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6744436702 [0,0,0,0,0,1|1,0,0]=2 1062 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6927833795 [0,0,0,0,0,1|1,0,0]=2 1063 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-1999021566 [0,0,0,0,0,1|1,0,0]=2 1064 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-5061937452 [0,0,0,0,0,1|1,0,0]=2 1065 B12R1.252 O=C(O)CCCC1CCOCC1 MCULE-3067113283 [0,0,0,0,0,1|1,0,0]=2 1066 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-2691750895 [0,0,0,0,0,1|1,0,0]=2 1067 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-7693123644 [0,0,0,0,0,1|1,0,0]=2 1068 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-3808061194 [0,0,0,0,0,1|2,0,0]=3 1069 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-6111321827 [0,0,0,0,0,1|2,0,0]=3 1070 B12R1.252 O=C(O)CCNC1=NCCCC1 MCULE-7368604852 [0,0,0,0,0,1|1,0,1]=3 1071 B12R1.252 O=C(O)CCNC1CCCCC1 MCULE-9246786190 [0,0,0,0,0,1|0,0,0]=1 1072 B12R1.252 O=C(O)CCOC1CCCCO1 MCULE-1716928477 [0,0,0,0,0,1|1,0,0]=2 1073 B12R1.252 O=C(O)CCOC1CCOCC1 MCULE-9390535734 [0,0,0,0,0,1|1,0,0]=2 1074 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8613545922 [0,0,0,0,0,1|0,0,0]=1 1075 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8778334854 [0,0,0,0,0,1|0,0,0]=1 1076 B12R1.252 O=C(O)COCC1CCCCO1 MCULE-4058015104 [0,0,0,0,0,1|1,0,0]=2 1077 B12R1.252 O=C(O)CSCC1CCCCO1 MCULE-4195821334 [0,0,0,0,0,1|1,0,0]=2 1078 B12R1.252 O=C([O-])CCCC1CCCCC1 MCULE-8598802518 [0,0,0,0,0,1|0,0,1]=2 1079 B12R1.252 O=N(=O)CCOC1CCCCO1 MCULE-3971907968 [0,0,0,0,0,1|2,0,1]=4 1080 B12R1.252 OB(O)CCCC1CCCCC1 MCULE-4093256475 [0,0,0,0,0,1|1,0,1]=3 1081 B12R1.1343 CC(=O)CCC1CCCCCC1 MCULE-1678869086 [0,0,0,0,0,1|1,0,0]=2 1082 B12R1.1343 O=C(O)CCC1CCCCCC1 MCULE-3221739644 [0,0,0,0,0,1|0,0,0]=1 1083 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-6902441701 [0,0,0,0,0,1|1,0,0]=2 1084 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-8652213601 [0,0,0,0,0,1|1,0,0]=2 1085 B12R1.1343 O=C(O)CCN1CSCCSC1 MCULE-9661159221 [0,0,0,0,0,1|2,0,0]=3 1086 B12R1.1343 O=C(O)CNC1=NCCCCC1 MCULE-2991973710 [0,0,0,0,0,1|1,0,1]=3 1087 B12R1.1343 O=C(O)CNC1CCCCCC1 MCULE-3407473628 [0,0,0,0,0,1|1,0,0]=2 1088 B12R1.1343 O=C(O)COC1CCCCCC1 MCULE-7705697205 [0,0,0,0,0,1|1,0,0]=2 1089 B9R0.2 C#CCCCCCC(=O)O MCULE-4594227399 [1,0,1,0,0,0|0,0,2]=4 1090 B9R0.2 C=C(Br)CCCCCCC MCULE-7091252982 [1,0,1,0,0,0|2,0,0]=4 1091 B9R0.2 C=C(C)CCCCCCC MCULE-6074571960 [1,0,1,0,0,0|2,0,0]=4 1092 B9R0.2 C=C(Cl)CCCCCCC MCULE-4513303196 [1,0,1,0,0,0|2,0,0]=4 1093 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [1,0,1,0,0,0|0,0,2]=4 1094 B9R0.2 CC(=O)CCCCCCN MCULE-5842243037 [1,0,1,0,0,0|2,0,0]=4 1095 B9R0.2 CC(=O)CCCCCCN MCULE-6017408205 [1,0,1,0,0,0|2,0,0]=4 1096 B9R0.2 CCCC/C=C/CC(=O)O MCULE-3008379579 [1,0,1,0,0,0|0,0,2]=4 1097 B9R0.2 CCCC=CCCC(=O)O MCULE-8091554117 [1,0,1,0,0,0|0,0,2]=4 1098 B9R0.2 CCCCC#CCC(=O)O MCULE-2685341100 [1,0,1,0,0,0|0,0,2]=4 1099 B9R0.2 CCCCC/C=C/C(=O)O MCULE-5661205729 [1,0,1,0,0,0|0,0,2]=4 1100 B9R0.2 CCCCC=CCC(=O)O MCULE-1531958630 [1,0,1,0,0,0|0,0,2]=4 1101 B9R0.2 CCCCCC#CC(=O)O MCULE-1860076106 [1,0,1,0,0,0|0,0,2]=4 1102 B9R0.2 CCCCCC=CC(=O)O MCULE-6969617806 [1,0,1,0,0,0|0,0,2]=4 1103 B9R0.2 CCCCCCCB(O)O MCULE-2487835239 [1,0,1,0,0,0|1,0,1]=4 1104 B9R0.2 CCCCCCCC(=N)N MCULE-8703701987 [1,0,1,0,0,0|2,0,0]=4 1105 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [1,0,1,0,0,0|1,0,0]=3 1106 B9R0.2 CCCCCCCC(=O)Cl MCULE-9979489292 [1,0,1,0,0,0|1,0,0]=3 1107 B9R0.2 CCCCCCCC(=O)N MCULE-8774193381 [1,0,1,0,0,0|1,0,0]=3 1108 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [1,0,1,0,0,0|0,0,0]=2 1109 B9R0.2 CCCCCCCC(=O)[O-] MCULE-3608650495 [1,0,1,0,0,0|0,0,1]=3 1110 B9R0.2 CCCCCCCC(=O)[O-] MCULE-8227046407 [1,0,1,0,0,0|0,0,1]=3 1111 B9R0.2 CCCCCCCC(C)O MCULE-5218382339 [1,0,1,0,0,0|1,0,1]=4 1112 B9R0.2 CCCCCCCN(=O)=O MCULE-3345030651 [1,0,1,0,0,0|1,0,1]=4 1113 B9R0.2 CCCCCCC[C@H](C)O MCULE-6211597611 [1,0,1,0,0,0|1,0,1]=4 1114 B9R0.2 CCCCCCNC(=O)N MCULE-4236638652 [1,0,1,0,0,0|2,0,0]=4 1115 B9R0.2 CCCCCCOC(=O)C MCULE-7353613022 [1,0,1,0,0,0|2,0,0]=4 1116 B9R0.2 CCCCCCOC(=O)Cl MCULE-3135055168 [1,0,1,0,0,0|2,0,0]=4 1117 B9R0.2 CCCCCCOC(=O)N MCULE-3909923308 [1,0,1,0,0,0|2,0,0]=4 1118 B9R0.2 CCCCCNCC(=O)N MCULE-1817354788 [1,0,1,0,0,0|2,0,0]=4 1119 B9R0.2 CCCCCNCC(=O)N MCULE-5558188497 [1,0,1,0,0,0|2,0,0]=4 1120 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [1,0,1,0,0,0|1,0,0]=3 1121 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [1,0,1,0,0,0|1,0,0]=3 1122 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [1,0,1,0,0,0|1,0,0]=3 1123 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [1,0,1,0,0,0|1,0,0]=3 1124 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [1,0,1,0,0,0|1,0,0]=3 1125 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [1,0,1,0,0,0|1,0,0]=3 1126 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [1,0,1,0,0,0|1,0,0]=3 1127 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [1,0,1,0,0,0|1,0,0]=3 1128 B9R0.2 CCOCCOCC(=O)O MCULE-2273372397 [1,0,1,0,0,0|2,0,0]=4 1129 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [1,0,1,0,0,0|1,0,0]=3 1130 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [1,0,1,0,0,0|2,0,0]=4 1131 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [1,0,1,0,0,0|1,0,0]=3 1132 B9R0.2 COCCCOCC(=O)O MCULE-7774967166 [1,0,1,0,0,0|2,0,0]=4 1133 B9R0.2 COCCNCCC(=O)O MCULE-3571993123 [1,0,1,0,0,0|2,0,0]=4 1134 B9R0.2 COCCOCCC(=O)O MCULE-5125891492 [1,0,1,0,0,0|2,0,0]=4 1135 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [1,0,1,0,0,0|1,0,0]=3 1136 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [1,0,1,0,0,0|1,0,0]=3 1137 B9R0.2 N#CCCCCCC(=O)O MCULE-6510846674 [1,0,1,0,0,0|1,0,1]=4 1138 B9R0.2 NC(=O)CCCCCCO MCULE-7432797193 [1,0,1,0,0,0|2,0,0]=4 1139 B9R0.2 NCCCCCCC(=O)N MCULE-9587339996 [1,0,1,0,0,0|2,0,0]=4 1140 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [1,0,1,0,0,0|1,0,0]=3 1141 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [1,0,1,0,0,0|1,0,0]=3 1142 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [1,0,1,0,0,0|2,0,0]=4 1143 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [1,0,1,0,0,0|2,0,0]=4 1144 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [1,0,1,0,0,0|2,0,0]=4 1145 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [1,0,1,0,0,0|1,0,0]=3 1146 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [1,0,1,0,0,0|1,0,0]=3 1147 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [1,0,1,0,0,0|1,0,0]=3 1148 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [1,0,1,0,0,0|1,0,0]=3 1149 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [1,0,1,0,0,0|2,0,0]=4 1150 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [1,0,1,0,0,0|2,0,0]=4 1151 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [1,0,1,0,0,0|1,0,1]=4 1152 B9R0.45 C#CCCCCCCCC MCULE-3452683648 [1,0,1,0,0,0|1,0,1]=4 1153 B9R0.45 C=CCCCCCCC=O MCULE-4979248929 [1,0,1,0,0,0|0,0,2]=4 1154 B9R0.45 C=CCCCCCCCBr MCULE-6324921683 [1,0,1,0,0,0|2,0,0]=4 1155 B9R0.45 C=CCCCCCCCC MCULE-1391753135 [1,0,1,0,0,0|1,0,0]=3 1156 B9R0.45 C=CCCCCCCCCl MCULE-3438052360 [1,0,1,0,0,0|2,0,0]=4 1157 B9R0.45 C=CCCCCCCCN MCULE-5068886534 [1,0,1,0,0,0|2,0,0]=4 1158 B9R0.45 C=CCCCCCCCN MCULE-7639889154 [1,0,1,0,0,0|2,0,0]=4 1159 B9R0.45 C=CCCCCCCCO MCULE-9611510472 [1,0,1,0,0,0|2,0,0]=4 1160 B9R0.45 CC/C=C\CCCCC=O MCULE-6517193376 [1,0,1,0,0,0|0,0,2]=4 1161 B9R0.45 CC=CCCCCCCC MCULE-6461098537 [1,0,1,0,0,0|1,0,1]=4 1162 B9R0.45 CCC=CCCCCC=O MCULE-5419350827 [1,0,1,0,0,0|0,0,2]=4 1163 B9R0.45 CCCCCC/C=C/C=O MCULE-5281758989 [1,0,1,0,0,0|0,0,2]=4 1164 B9R0.45 CCCCCCC=CC=O MCULE-8114348514 [1,0,1,0,0,0|0,0,2]=4 1165 B9R0.45 CCCCCCCCC#N MCULE-9980153452 [1,0,1,0,0,0|1,0,1]=4 1166 B9R0.45 CCCCCCCCC=O MCULE-9888879952 [1,0,1,0,0,0|0,0,0]=2 1167 B9R0.45 CCCCCCCCCBr MCULE-1405697483 [1,0,1,0,0,0|1,0,1]=4 1168 B9R0.45 CCCCCCCCCC MCULE-6071426098 [1,0,1,0,0,0|1,0,1]=4 1169 B9R0.45 CCCCCCCCCCl MCULE-6711902685 [1,0,1,0,0,0|1,0,1]=4 1170 B9R0.45 CCCCCCCCCF MCULE-9584148452 [1,0,1,0,0,0|1,0,1]=4 1171 B9R0.45 CCCCCCCCCI MCULE-8717337450 [1,0,1,0,0,0|1,0,1]=4 1172 B9R0.45 CCCCCCCCCN MCULE-5395407299 [1,0,1,0,0,0|1,0,1]=4 1173 B9R0.45 CCCCCCCCCO MCULE-4020281400 [1,0,1,0,0,0|0,0,1]=3 1174 B9R0.45 CCCCCCCCCS MCULE-1070515106 [1,0,1,0,0,0|0,1,1]=4 1175 B9R0.45 CCCCCCCCNC MCULE-6996288442 [1,0,1,0,0,0|2,0,0]=4 1176 B9R0.45 CCCCCCCCOC MCULE-4646070035 [1,0,1,0,0,0|2,0,0]=4 1177 B9R0.45 CCCCCCCCSC MCULE-5517176664 [1,0,1,0,0,0|2,0,0]=4 1178 B9R0.45 CCCCCCCN=C=O MCULE-8681396809 [1,0,1,0,0,0|1,0,1]=4 1179 B9R0.45 CCCCCCCNC=O MCULE-7638122818 [1,0,1,0,0,0|1,0,0]=3 1180 B9R0.45 CCCCCCCOC=O MCULE-6396391540 [1,0,1,0,0,0|1,0,0]=3 1181 B9R0.45 CCCCCCNCCO MCULE-6828996225 [1,0,1,0,0,0|1,0,1]=4 1182 B9R0.45 CCCCCCOCCO MCULE-1339769602 [1,0,1,0,0,0|1,0,1]=4 1183 B9R0.45 CCCCCCSCCO MCULE-3331753796 [1,0,1,0,0,0|1,0,1]=4 1184 B9R0.45 CCCCCOCCCO MCULE-3048029561 [1,0,1,0,0,0|1,0,1]=4 1185 B9R0.45 CCCCNCCCCO MCULE-1748671401 [1,0,1,0,0,0|1,0,1]=4 1186 B9R0.45 CCCCOCCCCO MCULE-1926189258 [1,0,1,0,0,0|1,0,1]=4 1187 B9R0.45 NCCCCCCCCO MCULE-1230018398 [1,0,1,0,0,0|1,0,1]=4 1188 B9R0.45 O=CCCCCCCC=O MCULE-6545234470 [1,0,1,0,0,0|1,0,1]=4 1189 B9R0.45 OCCCCCCCCBr MCULE-2005797184 [1,0,1,0,0,0|1,0,1]=4 1190 B9R0.45 OCCCCCCCCCl MCULE-8776830410 [1,0,1,0,0,0|1,0,1]=4 1191 B9R0.45 OCCCCCCCCI MCULE-7793639517 [1,0,1,0,0,0|1,0,1]=4 1192 B9R0.45 OCCCCCCCCO MCULE-7897417838 [1,0,1,0,0,0|1,0,1]=4 1193 B9R0.45 OCCCCCCCCS MCULE-8372814979 [1,0,1,0,0,0|1,0,1]=4 1194 B9R0.40 CCCC(CC)NCCO MCULE-5041998971 [1,0,1,0,0,0|1,0,1]=4 1195 B9R0.43 C=C(C)CCC(CC)CC MCULE-8102897212 [1,0,1,0,0,0|2,0,0]=4 1196 B9R0.43 CCC(CC)CCC(=O)O MCULE-3619246107 [1,0,1,0,0,0|0,0,0]=2 1197 B9R0.43 CCC(CC)CCC(C)O MCULE-8617358020 [1,0,1,0,0,0|1,0,1]=4 1198 B9R0.43 CCC(CC)COC(=O)C MCULE-4514204921 [1,0,1,0,0,0|2,0,0]=4 1199 B9R0.43 CCC(CC)COC(=O)Cl MCULE-6063084653 [1,0,1,0,0,0|2,0,0]=4 1200 B9R0.43 CCC(CC)OCC(=O)O MCULE-1363431600 [1,0,1,0,0,0|1,0,0]=3 1201 B9R0.43 CCC(CO)CCC(=O)C MCULE-7352596779 [1,0,1,0,0,0|2,0,0]=4 1202 B9R0.43 CCN(CC)CCC(=O)C MCULE-9384286876 [1,0,1,0,0,0|2,0,0]=4 1203 B9R0.43 CCN(CC)CCC(=O)N MCULE-3761363591 [1,0,1,0,0,0|2,0,0]=4 1204 B9R0.43 CCN(CC)CCC(=O)O MCULE-3198217857 [1,0,1,0,0,0|1,0,0]=3 1205 B9R0.43 CCN(CC)CCC(=O)O MCULE-7749215074 [1,0,1,0,0,0|1,0,0]=3 1206 B9R0.48 C=C(C)CCC(C)CCC MCULE-7509184096 [1,0,1,0,0,0|2,0,0]=4 1207 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [1,0,1,0,0,0|1,0,1]=4 1208 B9R0.48 CCCC(C)CCC(=O)C MCULE-1446034135 [1,0,1,0,0,0|1,0,0]=3 1209 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [1,0,1,0,0,0|0,0,0]=2 1210 B9R0.48 CCCC(C)COC(=O)C MCULE-3322580373 [1,0,1,0,0,0|2,0,0]=4 1211 B9R0.48 CCCC(C)COC(=O)Cl MCULE-1504594923 [1,0,1,0,0,0|2,0,0]=4 1212 B9R0.48 CCCC(Cl)CCC(=O)Cl MCULE-1887322362 [1,0,1,0,0,0|2,0,0]=4 1213 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [1,0,1,0,0,0|1,0,0]=3 1214 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [1,0,1,0,0,0|1,0,0]=3 1215 B9R0.48 CCCN(C)CCC(=O)O MCULE-4436694860 [1,0,1,0,0,0|1,0,0]=3 1216 B9R0.48 CCCN(C)CCC(=O)O MCULE-5636730093 [1,0,1,0,0,0|1,0,0]=3 1217 B9R0.48 CN(CCO)CCC(=O)O MCULE-1755715725 [1,0,1,0,0,0|2,0,0]=4 1218 B9R0.48 COCC(C)NCC(=O)O MCULE-1388451631 [1,0,1,0,0,0|2,0,0]=4 1219 B9R0.48 COCC(C)NCC(=O)O MCULE-8506123448 [1,0,1,0,0,0|2,0,0]=4 1220 B9R0.18 CCCCC(C)CCCC MCULE-8127947187 [1,0,1,0,0,0|1,0,1]=4 1221 B9R0.18 CCCCC(O)CCCO MCULE-8337847504 [1,0,1,0,0,0|1,0,1]=4 1222 B9R1.8 BrCCC1CCCCC1 MCULE-9299250705 [2,0,0,0,0,0|1,0,0]=3 1223 B9R1.8 BrCCC1CCCCN1 MCULE-1500097659 [2,0,0,0,0,0|2,0,0]=4 1224 B9R1.8 BrCCC1CCCCN1 MCULE-3711942593 [2,0,0,0,0,0|2,0,0]=4 1225 B9R1.8 BrCCC1CCCCN1 MCULE-7767580351 [2,0,0,0,0,0|2,0,0]=4 1226 B9R1.8 BrCCC1CCCCO1 MCULE-4230649212 [2,0,0,0,0,0|2,0,0]=4 1227 B9R1.8 BrCCC1CCCNC1 MCULE-2519817553 [2,0,0,0,0,0|2,0,0]=4 1228 B9R1.8 BrCCC1CCCNC1 MCULE-7320613897 [2,0,0,0,0,0|2,0,0]=4 1229 B9R1.8 BrCCC1CCCOC1 MCULE-5741308473 [2,0,0,0,0,0|2,0,0]=4 1230 B9R1.8 BrCCC1CCNCC1 MCULE-1655352389 [2,0,0,0,0,0|2,0,0]=4 1231 B9R1.8 BrCCC1CCNCC1 MCULE-9621591471 [2,0,0,0,0,0|2,0,0]=4 1232 B9R1.8 BrCCC1CCOCC1 MCULE-4291105264 [2,0,0,0,0,0|2,0,0]=4 1233 B9R1.8 BrCCN1CCCCC1 MCULE-1576488740 [2,0,0,0,0,0|2,0,0]=4 1234 B9R1.8 BrCCN1CCCCC1 MCULE-5686542858 [2,0,0,0,0,0|2,0,0]=4 1235 B9R1.8 C#CCC1CCCCC1 MCULE-5692828942 [2,0,0,0,0,0|0,0,2]=4 1236 B9R1.8 C=C=CC1CCCCC1 MCULE-4177395050 [2,0,0,0,0,0|0,0,2]=4 1237 B9R1.8 C=CCC1CCCCC1 MCULE-6299666608 [2,0,0,0,0,0|0,0,1]=3 1238 B9R1.8 C=CCC1CCCCN1 MCULE-3454887222 [2,0,0,0,0,0|1,0,1]=4 1239 B9R1.8 C=CCC1CCCCN1 MCULE-6075767950 [2,0,0,0,0,0|1,0,1]=4 1240 B9R1.8 C=CCC1CCCNC1 MCULE-3572005428 [2,0,0,0,0,0|1,0,1]=4 1241 B9R1.8 C=CCC1CCNCC1 MCULE-5289509925 [2,0,0,0,0,0|1,0,1]=4 1242 B9R1.8 C=CCN1CCCCC1 MCULE-4754989184 [2,0,0,0,0,0|1,0,1]=4 1243 B9R1.8 C=CC[C@@H]1CCCCN1 MCULE-1018362044 [2,0,0,0,0,0|1,0,1]=4 1244 B9R1.8 C=CC[C@@H]1CCCCN1 MCULE-5995948153 [2,0,0,0,0,0|1,0,1]=4 1245 B9R1.8 C=CC[C@@H]1CCCCN1 MCULE-8655344575 [2,0,0,0,0,0|1,0,1]=4 1246 B9R1.8 C=CC[C@@H]1CCCCN1 MCULE-9197925786 [2,0,0,0,0,0|1,0,1]=4 1247 B9R1.8 C=CC[C@H]1CCCCN1 MCULE-2273116881 [2,0,0,0,0,0|1,0,1]=4 1248 B9R1.8 C=CC[C@H]1CCCCN1 MCULE-4469247831 [2,0,0,0,0,0|1,0,1]=4 1249 B9R1.8 C=CC[C@H]1CCCCN1 MCULE-6202204683 [2,0,0,0,0,0|1,0,1]=4 1250 B9R1.8 C=CC[C@H]1CCCCN1 MCULE-7361084128 [2,0,0,0,0,0|1,0,1]=4 1251 B9R1.8 C=COC1CCCCC1 MCULE-5621471764 [2,0,0,0,0,0|1,0,1]=4 1252 B9R1.8 CC=CC1CCCCC1 MCULE-6836950237 [2,0,0,0,0,0|1,0,1]=4 1253 B9R1.8 CCCC1CCCCC1 MCULE-7477053795 [2,0,0,0,0,0|0,0,1]=3 1254 B9R1.8 CCCC1CCCCN1 MCULE-1476155918 [2,0,0,0,0,0|1,0,1]=4 1255 B9R1.8 CCCC1CCCCN1 MCULE-1672724119 [2,0,0,0,0,0|1,0,1]=4 1256 B9R1.8 CCCC1CCCCN1 MCULE-5635587568 [2,0,0,0,0,0|1,0,1]=4 1257 B9R1.8 CCCC1CCCCN1 MCULE-7901233025 [2,0,0,0,0,0|1,0,1]=4 1258 B9R1.8 CCCC1CCCCN1 MCULE-8248346628 [2,0,0,0,0,0|1,0,1]=4 1259 B9R1.8 CCCC1CCCNC1 MCULE-4630550411 [2,0,0,0,0,0|1,0,1]=4 1260 B9R1.8 CCCC1CCCNC1 MCULE-6458267050 [2,0,0,0,0,0|1,0,1]=4 1261 B9R1.8 CCCC1CCNCC1 MCULE-2518589445 [2,0,0,0,0,0|1,0,1]=4 1262 B9R1.8 CCCC1CCNCC1 MCULE-4448725528 [2,0,0,0,0,0|1,0,1]=4 1263 B9R1.8 CCCN1CCCCC1 MCULE-1219970936 [2,0,0,0,0,0|1,0,1]=4 1264 B9R1.8 CCCN1CCCCC1 MCULE-1933753818 [2,0,0,0,0,0|1,0,1]=4 1265 B9R1.8 CCC[C@@H]1CCCCN1 MCULE-6770891257 [2,0,0,0,0,0|1,0,1]=4 1266 B9R1.8 CCC[C@@H]1CCCCN1 MCULE-7954142000 [2,0,0,0,0,0|1,0,1]=4 1267 B9R1.8 CCC[C@H]1CCCCN1 MCULE-2517558052 [2,0,0,0,0,0|1,0,1]=4 1268 B9R1.8 CCC[C@H]1CCCCN1 MCULE-8255238091 [2,0,0,0,0,0|1,0,1]=4 1269 B9R1.8 CCC[C@H]1CCCCN1 MCULE-8429691236 [2,0,0,0,0,0|1,0,1]=4 1270 B9R1.8 CCC[C@H]1CCCCN1 MCULE-9434683135 [2,0,0,0,0,0|1,0,1]=4 1271 B9R1.8 CCNC1CCCCC1 MCULE-1079828121 [2,0,0,0,0,0|1,0,1]=4 1272 B9R1.8 CCNC1CCCCC1 MCULE-5943281030 [2,0,0,0,0,0|1,0,1]=4 1273 B9R1.8 CNCC1CCCCC1 MCULE-3140944607 [2,0,0,0,0,0|1,0,1]=4 1274 B9R1.8 CNCC1CCCCC1 MCULE-3915957758 [2,0,0,0,0,0|1,0,1]=4 1275 B9R1.8 ClCCC1CCCCC1 MCULE-9726073749 [2,0,0,0,0,0|1,0,0]=3 1276 B9R1.8 ClCCC1CCCCN1 MCULE-3550163742 [2,0,0,0,0,0|2,0,0]=4 1277 B9R1.8 ClCCC1CCCCN1 MCULE-4587156712 [2,0,0,0,0,0|2,0,0]=4 1278 B9R1.8 ClCCC1CCNCC1 MCULE-2950265514 [2,0,0,0,0,0|2,0,0]=4 1279 B9R1.8 ClCCC1CCNCC1 MCULE-6272821075 [2,0,0,0,0,0|2,0,0]=4 1280 B9R1.8 ClCCC1CCOCC1 MCULE-3173642012 [2,0,0,0,0,0|2,0,0]=4 1281 B9R1.8 ClCCN1CCCCC1 MCULE-1776788397 [2,0,0,0,0,0|2,0,0]=4 1282 B9R1.8 ClCCN1CCCCC1 MCULE-6642251535 [2,0,0,0,0,0|2,0,0]=4 1283 B9R1.8 ClCOC1CCCCC1 MCULE-2178125784 [2,0,0,0,0,0|2,0,0]=4 1284 B9R1.8 FCCC1CCCNC1 MCULE-2308514802 [2,0,0,0,0,0|2,0,0]=4 1285 B9R1.8 FCCC1CCCNC1 MCULE-7436132702 [2,0,0,0,0,0|2,0,0]=4 1286 B9R1.8 FCCC1CCNCC1 MCULE-4179412048 [2,0,0,0,0,0|2,0,0]=4 1287 B9R1.8 FCCC1CCNCC1 MCULE-6736060314 [2,0,0,0,0,0|2,0,0]=4 1288 B9R1.8 ICCC1CCCCC1 MCULE-8795138408 [2,0,0,0,0,0|1,0,0]=3 1289 B9R1.8 ICCC1CCOCC1 MCULE-5007120840 [2,0,0,0,0,0|2,0,0]=4 1290 B9R1.8 N#CCC1CCCCC1 MCULE-1749955817 [2,0,0,0,0,0|1,0,1]=4 1291 B9R1.8 NCCC1CCCCC1 MCULE-3912289573 [2,0,0,0,0,0|1,0,0]=3 1292 B9R1.8 NCCC1CCCCC1 MCULE-8270155473 [2,0,0,0,0,0|1,0,0]=3 1293 B9R1.8 NCCC1CCCCN1 MCULE-3796829641 [2,0,0,0,0,0|2,0,0]=4 1294 B9R1.8 NCCC1CCCCN1 MCULE-8953940837 [2,0,0,0,0,0|2,0,0]=4 1295 B9R1.8 NCCC1CCCCO1 MCULE-3942491369 [2,0,0,0,0,0|2,0,0]=4 1296 B9R1.8 NCCC1CCCCO1 MCULE-8718659242 [2,0,0,0,0,0|2,0,0]=4 1297 B9R1.8 NCCC1CCCNC1 MCULE-2317830825 [2,0,0,0,0,0|2,0,0]=4 1298 B9R1.8 NCCC1CCCNC1 MCULE-7843131930 [2,0,0,0,0,0|2,0,0]=4 1299 B9R1.8 NCCC1CCCOC1 MCULE-6749080914 [2,0,0,0,0,0|2,0,0]=4 1300 B9R1.8 NCCC1CCNCC1 MCULE-3063629016 [2,0,0,0,0,0|2,0,0]=4 1301 B9R1.8 NCCC1CCNCC1 MCULE-9932609620 [2,0,0,0,0,0|2,0,0]=4 1302 B9R1.8 NCCC1CCOCC1 MCULE-3307341350 [2,0,0,0,0,0|2,0,0]=4 1303 B9R1.8 NCCC1CCOCC1 MCULE-4280882062 [2,0,0,0,0,0|2,0,0]=4 1304 B9R1.8 NCCC1CCSCC1 MCULE-8541499738 [2,0,0,0,0,0|2,0,0]=4 1305 B9R1.8 NCCN1CCCCC1 MCULE-2805214779 [2,0,0,0,0,0|2,0,0]=4 1306 B9R1.8 NCCN1CCCCC1 MCULE-8551893283 [2,0,0,0,0,0|2,0,0]=4 1307 B9R1.8 NNCC1CCCCC1 MCULE-5000115152 [2,0,0,0,0,0|2,0,0]=4 1308 B9R1.8 NNCC1CCCCC1 MCULE-5929866009 [2,0,0,0,0,0|2,0,0]=4 1309 B9R1.8 NNCC1CCCCC1 MCULE-6807430135 [2,0,0,0,0,0|2,0,0]=4 1310 B9R1.8 NOCC1CCCCC1 MCULE-4119292714 [2,0,0,0,0,0|2,0,0]=4 1311 B9R1.8 NOCC1CCCCC1 MCULE-4685909729 [2,0,0,0,0,0|2,0,0]=4 1312 B9R1.8 O=C=NC1CCCCC1 MCULE-9865756478 [2,0,0,0,0,0|1,0,1]=4 1313 B9R1.8 O=CCC1CCCCC1 MCULE-1210709345 [2,0,0,0,0,0|0,0,0]=2 1314 B9R1.8 O=CCC1CCCCO1 MCULE-5585343100 [2,0,0,0,0,0|1,0,0]=3 1315 B9R1.8 O=CCC1CCCOC1 MCULE-5934314566 [2,0,0,0,0,0|1,0,0]=3 1316 B9R1.8 O=CCC1CCOCC1 MCULE-2547340776 [2,0,0,0,0,0|1,0,0]=3 1317 B9R1.8 O=CCC1CNCCO1 MCULE-6857081335 [2,0,0,0,0,0|2,0,0]=4 1318 B9R1.8 O=CCC1CNCCO1 MCULE-8149272613 [2,0,0,0,0,0|2,0,0]=4 1319 B9R1.8 O=CCN1CCCCC1 MCULE-1236885034 [2,0,0,0,0,0|1,0,0]=3 1320 B9R1.8 O=CCN1CCOCC1 MCULE-7215320928 [2,0,0,0,0,0|2,0,0]=4 1321 B9R1.8 O=CCN1CCOCC1 MCULE-7374408534 [2,0,0,0,0,0|2,0,0]=4 1322 B9R1.8 O=CNC1CCCCC1 MCULE-5868381758 [2,0,0,0,0,0|1,0,0]=3 1323 B9R1.8 O=CNC1CCOCC1 MCULE-2081920027 [2,0,0,0,0,0|2,0,0]=4 1324 B9R1.8 OCC=C1CCCCC1 MCULE-1575946847 [2,0,0,0,0,0|0,0,2]=4 1325 B9R1.8 OCCC1=CCCCC1 MCULE-5341389843 [2,0,0,0,0,0|0,0,2]=4 1326 B9R1.8 OCCC1C=CCCC1 MCULE-4423636846 [2,0,0,0,0,0|0,0,2]=4 1327 B9R1.8 OCCC1CCCCC1 MCULE-1419875265 [2,0,0,0,0,0|0,0,0]=2 1328 B9R1.8 OCCC1CCCCN1 MCULE-5358571234 [2,0,0,0,0,0|1,0,0]=3 1329 B9R1.8 OCCC1CCCCN1 MCULE-6316167724 [2,0,0,0,0,0|1,0,0]=3 1330 B9R1.8 OCCC1CCCCN1 MCULE-6383343166 [2,0,0,0,0,0|1,0,0]=3 1331 B9R1.8 OCCC1CCCCN1 MCULE-8192447369 [2,0,0,0,0,0|1,0,0]=3 1332 B9R1.8 OCCC1CCCCO1 MCULE-8834615080 [2,0,0,0,0,0|1,0,0]=3 1333 B9R1.8 OCCC1CCCNC1 MCULE-1585744813 [2,0,0,0,0,0|1,0,0]=3 1334 B9R1.8 OCCC1CCCNC1 MCULE-2334553785 [2,0,0,0,0,0|1,0,0]=3 1335 B9R1.8 OCCC1CCCOC1 MCULE-3721207963 [2,0,0,0,0,0|1,0,0]=3 1336 B9R1.8 OCCC1CCNCC1 MCULE-4733455288 [2,0,0,0,0,0|1,0,0]=3 1337 B9R1.8 OCCC1CCNCC1 MCULE-8781109111 [2,0,0,0,0,0|1,0,0]=3 1338 B9R1.8 OCCC1CCOCC1 MCULE-2699930826 [2,0,0,0,0,0|1,0,0]=3 1339 B9R1.8 OCCC1CNCCN1 MCULE-1485603248 [2,0,0,0,0,0|2,0,0]=4 1340 B9R1.8 OCCC1CNCCN1 MCULE-4527044795 [2,0,0,0,0,0|2,0,0]=4 1341 B9R1.8 OCCC1CNCCN1 MCULE-5830758261 [2,0,0,0,0,0|2,0,0]=4 1342 B9R1.8 OCCC1CNCCN1 MCULE-6879027812 [2,0,0,0,0,0|2,0,0]=4 1343 B9R1.8 OCCC1CNCCO1 MCULE-5426840446 [2,0,0,0,0,0|2,0,0]=4 1344 B9R1.8 OCCC1CNCCO1 MCULE-7364226481 [2,0,0,0,0,0|2,0,0]=4 1345 B9R1.8 OCCC1COCCN1 MCULE-7671693934 [2,0,0,0,0,0|2,0,0]=4 1346 B9R1.8 OCCC1COCCN1 MCULE-7975926802 [2,0,0,0,0,0|2,0,0]=4 1347 B9R1.8 OCCC1COCCO1 MCULE-8026004111 [2,0,0,0,0,0|2,0,0]=4 1348 B9R1.8 OCCC1CSCCN1 MCULE-2529715107 [2,0,0,0,0,0|2,0,0]=4 1349 B9R1.8 OCCC1SCCCS1 MCULE-5450372948 [2,0,0,0,0,0|2,0,0]=4 1350 B9R1.8 OCCN1CCCCC1 MCULE-5210318838 [2,0,0,0,0,0|1,0,0]=3 1351 B9R1.8 OCCN1CCCCC1 MCULE-6060210408 [2,0,0,0,0,0|1,0,0]=3 1352 B9R1.8 OCCN1CCCCO1 MCULE-3704734263 [2,0,0,0,0,0|2,0,0]=4 1353 B9R1.8 OCCN1CCNCC1 MCULE-7497741827 [2,0,0,0,0,0|2,0,0]=4 1354 B9R1.8 OCCN1CCOCC1 MCULE-4008383485 [2,0,0,0,0,0|2,0,0]=4 1355 B9R1.8 OCCN1CCSCC1 MCULE-5257909195 [2,0,0,0,0,0|2,0,0]=4 1356 B9R1.8 OCC[C@@H]1CCCCN1 MCULE-1411975903 [2,0,0,0,0,0|1,0,0]=3 1357 B9R1.8 OCC[C@@H]1CCCCN1 MCULE-1687945599 [2,0,0,0,0,0|1,0,0]=3 1358 B9R1.8 OCC[C@@H]1CCCCN1 MCULE-4768860231 [2,0,0,0,0,0|1,0,0]=3 1359 B9R1.8 OCC[C@@H]1CNCCN1 MCULE-1010322548 [2,0,0,0,0,0|2,0,0]=4 1360 B9R1.8 OCC[C@@H]1CNCCN1 MCULE-1682721450 [2,0,0,0,0,0|2,0,0]=4 1361 B9R1.8 OCC[C@@H]1CNCCN1 MCULE-2510457733 [2,0,0,0,0,0|2,0,0]=4 1362 B9R1.8 OCC[C@@H]1CNCCN1 MCULE-7412945816 [2,0,0,0,0,0|2,0,0]=4 1363 B9R1.8 OCC[C@@H]1CNCCN1 MCULE-7736283995 [2,0,0,0,0,0|2,0,0]=4 1364 B9R1.8 OCC[C@@H]1COCCN1 MCULE-2492409848 [2,0,0,0,0,0|2,0,0]=4 1365 B9R1.8 OCC[C@@H]1COCCN1 MCULE-7538532704 [2,0,0,0,0,0|2,0,0]=4 1366 B9R1.8 OCC[C@@H]1COCCN1 MCULE-8411336469 [2,0,0,0,0,0|2,0,0]=4 1367 B9R1.8 OCC[C@H]1CCCCN1 MCULE-1159412973 [2,0,0,0,0,0|1,0,0]=3 1368 B9R1.8 OCC[C@H]1CCCCN1 MCULE-7155911761 [2,0,0,0,0,0|1,0,0]=3 1369 B9R1.8 OCC[C@H]1CCCCN1 MCULE-8194139814 [2,0,0,0,0,0|1,0,0]=3 1370 B9R1.8 OCC[C@H]1CCCCN1 MCULE-9431208414 [2,0,0,0,0,0|1,0,0]=3 1371 B9R1.8 OCC[C@H]1CCCNC1 MCULE-7415878358 [2,0,0,0,0,0|1,0,0]=3 1372 B9R1.8 OCC[C@H]1CNCCN1 MCULE-1153840758 [2,0,0,0,0,0|2,0,0]=4 1373 B9R1.8 OCC[C@H]1CNCCN1 MCULE-2356486057 [2,0,0,0,0,0|2,0,0]=4 1374 B9R1.8 OCC[C@H]1CNCCN1 MCULE-5425698593 [2,0,0,0,0,0|2,0,0]=4 1375 B9R1.8 OCC[C@H]1CNCCN1 MCULE-7344138049 [2,0,0,0,0,0|2,0,0]=4 1376 B9R1.8 OCC[C@H]1COCCN1 MCULE-4269275620 [2,0,0,0,0,0|2,0,0]=4 1377 B9R1.8 S=CNC1CCCCC1 MCULE-8568360220 [2,0,0,0,0,0|1,1,0]=4 1378 B9R1.8 SCCC1CCCCC1 MCULE-4338002677 [2,0,0,0,0,0|0,1,0]=3 1379 B9R1.8 SCCN1CCCCC1 MCULE-5583235881 [2,0,0,0,0,0|1,1,0]=4 1380 B9R1.8 [C@H]1(CCCCN1)CCO MCULE-4666239626 [2,0,0,0,0,0|1,0,0]=3 1381 B11R0.2 C=C(C)CC(C)CCCCCC MCULE-9270463569 [0,1,1,0,0,0|2,0,0]=4 1382 B11R0.2 CCC/C=C\CC(N)CC(=O)O MCULE-9494795833 [0,1,1,0,0,0|0,0,2]=4 1383 B11R0.2 CCCCCCC(=O)CC(=O)C MCULE-1947947048 [0,1,1,0,0,0|1,0,1]=4 1384 B11R0.2 CCCCCCC(=O)CC(=O)O MCULE-9513160139 [0,1,1,0,0,0|0,0,1]=3 1385 B11R0.2 CCCCCCC(C)CC(=O)O MCULE-4777686649 [0,1,1,0,0,0|0,0,0]=2 1386 B11R0.2 CCCCCCC(C)OC(=O)C MCULE-6230359539 [0,1,1,0,0,0|2,0,0]=4 1387 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-6987665804 [0,1,1,0,0,0|0,0,0]=2 1388 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-8299240038 [0,1,1,0,0,0|0,0,0]=2 1389 B11R0.2 CCCCCCC(O)CC(=O)O MCULE-8278468713 [0,1,1,0,0,0|0,0,0]=2 1390 B11R0.2 CCCCCCN(C)CC(=O)O MCULE-5638671142 [0,1,1,0,0,0|1,0,0]=3 1391 B11R0.2 CCCCCCN(C)CC(=O)O MCULE-6664823722 [0,1,1,0,0,0|1,0,0]=3 1392 B11R0.30 C=C(Br)CCCCCCC(=O)O MCULE-6895852201 [0,1,1,0,0,0|0,0,2]=4 1393 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [0,1,1,0,0,0|0,0,1]=3 1394 B11R0.30 C=C(Cl)CCCCCCC(=O)O MCULE-6082663554 [0,1,1,0,0,0|0,0,2]=4 1395 B11R0.30 CC(=O)CCCCCCC(=O)C MCULE-3854362746 [0,1,1,0,0,0|1,0,1]=4 1396 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [0,1,1,0,0,0|0,0,1]=3 1397 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [0,1,1,0,0,0|1,0,1]=4 1398 B11R0.30 CC(=O)SCCCCCC(=O)O MCULE-7058924302 [0,1,1,0,0,0|1,0,1]=4 1399 B11R0.30 CC(C)/C=C\CCCCC(=O)O MCULE-3685314454 [0,1,1,0,0,0|0,0,2]=4 1400 B11R0.30 CC(C)C=CCCCCC(=O)O MCULE-9153738942 [0,1,1,0,0,0|0,0,2]=4 1401 B11R0.30 CC(C)CCCCCCC(=O)O MCULE-7144406547 [0,1,1,0,0,0|0,0,0]=2 1402 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [0,1,1,0,0,0|0,0,0]=2 1403 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5163840640 [0,1,1,0,0,0|1,0,0]=3 1404 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5248234243 [0,1,1,0,0,0|1,0,0]=3 1405 B11R0.30 O=C(O)CCCCCCC(=O)O MCULE-1380155289 [0,1,1,0,0,0|1,0,1]=4 1406 B11R0.40 C=C(C=O)CCCCCCCC MCULE-1736101056 [0,1,1,0,0,0|1,0,0]=3 1407 B11R0.40 C=CS(=O)CCCCCCCC MCULE-1360438768 [0,1,1,0,0,0|2,0,0]=4 1408 B11R0.40 CCCCC/C=C/CC(=O)OC MCULE-2579151246 [0,1,1,0,0,0|0,0,2]=4 1409 B11R0.40 CCCCCCC#CC(=O)OC MCULE-7877194626 [0,1,1,0,0,0|0,0,2]=4 1410 B11R0.40 CCCCCCC=CC(=O)OC MCULE-3102057992 [0,1,1,0,0,0|0,0,2]=4 1411 B11R0.40 CCCCCCCCC(=O)C=O MCULE-2896760493 [0,1,1,0,0,0|0,0,1]=3 1412 B11R0.40 CCCCCCCCC(=O)CC MCULE-9958837588 [0,1,1,0,0,0|1,0,0]=3 1413 B11R0.40 CCCCCCCCC(=O)NN MCULE-6560373796 [0,1,1,0,0,0|1,0,0]=3 1414 B11R0.40 CCCCCCCCC(=O)NO MCULE-7098688577 [0,1,1,0,0,0|0,0,0]=2 1415 B11R0.40 CCCCCCCCC(=O)OC MCULE-4760106079 [0,1,1,0,0,0|0,0,0]=2 1416 B11R0.40 CCCCCCCCC(C)C=O MCULE-9301043210 [0,1,1,0,0,0|1,0,1]=4 1417 B11R0.40 CCCCCCCCC(C)CO MCULE-6530142953 [0,1,1,0,0,0|1,0,1]=4 1418 B11R0.40 CCCCCCCCC(N)CO MCULE-3838512887 [0,1,1,0,0,0|1,0,1]=4 1419 B11R0.40 CCCCCCCCC(O)CC MCULE-7447063642 [0,1,1,0,0,0|1,0,1]=4 1420 B11R0.40 CCCCCCCCC(O)CN MCULE-1386452336 [0,1,1,0,0,0|1,0,1]=4 1421 B11R0.40 CCCCCCCCC(O)CO MCULE-4401791520 [0,1,1,0,0,0|0,0,2]=4 1422 B11R0.40 CCCCCCCCC([NH3+])CO MCULE-9745638839 [0,1,1,0,0,0|1,0,1]=4 1423 B11R0.40 CCCCCCCC[C@@H](Br)C=O MCULE-3823724408 [0,1,1,0,0,0|1,0,1]=4 1424 B11R0.40 CCCCCCCC[C@@H](O)CO MCULE-3097644735 [0,1,1,0,0,0|0,0,2]=4 1425 B11R0.40 CCCCCCCC[C@@H](O)CO MCULE-9306542938 [0,1,1,0,0,0|0,0,2]=4 1426 B11R0.40 CCCCCCCC[C@H](C)C=O MCULE-7337993182 [0,1,1,0,0,0|1,0,1]=4 1427 B11R0.40 CCCCCCCNC(=O)CBr MCULE-3010395952 [0,1,1,0,0,0|2,0,0]=4 1428 B11R0.40 CCCCCCCOC(=O)CC MCULE-6239287032 [0,1,1,0,0,0|2,0,0]=4 1429 B11R0.40 CCCCCCCOC(=O)CCl MCULE-6089837080 [0,1,1,0,0,0|2,0,0]=4 1430 B11R0.40 CCCCCCCOC(=O)CS MCULE-3304894936 [0,1,1,0,0,0|1,1,0]=4 1431 B11R0.40 COC(=O)CCCCCCC#N MCULE-5476473532 [0,1,1,0,0,0|1,0,1]=4 1432 B11R0.40 COC(=O)CCCCCCC=O MCULE-8693929860 [0,1,1,0,0,0|1,0,1]=4 1433 B11R0.40 COC(=O)CCCCCCCBr MCULE-5537473467 [0,1,1,0,0,0|1,0,0]=3 1434 B11R0.40 COC(=O)CCCCCCCCl MCULE-1981178961 [0,1,1,0,0,0|1,0,0]=3 1435 B11R0.40 COC(=O)CCCCCCCN MCULE-3361449332 [0,1,1,0,0,0|1,0,0]=3 1436 B11R0.40 COC(=O)CCCCCCCN MCULE-5266446188 [0,1,1,0,0,0|1,0,0]=3 1437 B11R0.40 COC(=O)CCCCCCCO MCULE-4577508073 [0,1,1,0,0,0|1,0,0]=3 1438 B11R0.40 COCCCNCCC(=O)OC MCULE-4020268298 [0,1,1,0,0,0|2,0,0]=4 1439 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-1162188913 [0,1,1,0,0,0|0,0,2]=4 1440 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-3131667346 [0,1,1,0,0,0|0,0,2]=4 1441 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-4888632865 [0,1,1,0,0,0|0,0,2]=4 1442 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5391769158 [0,1,1,0,0,0|0,0,2]=4 1443 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5861402789 [0,1,1,0,0,0|0,0,2]=4 1444 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8081984411 [0,1,1,0,0,0|0,0,2]=4 1445 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8137198974 [0,1,1,0,0,0|0,0,2]=4 1446 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-1233544353 [0,1,1,0,0,0|0,0,2]=4 1447 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-3790089576 [0,1,1,0,0,0|0,0,2]=4 1448 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-8748986273 [0,1,1,0,0,0|0,0,2]=4 1449 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-9105977293 [0,1,1,0,0,0|0,0,2]=4 1450 B11R0.42 CCCCCCCC(C)C(=O)C MCULE-1764436007 [0,1,1,0,0,0|1,0,0]=3 1451 B11R0.42 CCCCCCCC(C)C(=O)O MCULE-1400601550 [0,1,1,0,0,0|0,0,0]=2 1452 B11R0.42 CCCCCCCC(N)C(=O)O MCULE-4518631723 [0,1,1,0,0,0|0,0,0]=2 1453 B11R0.42 CCCCCCC[C@@H](N)C(=O)O MCULE-7367412741 [0,1,1,0,0,0|0,0,0]=2 1454 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4025079053 [0,1,1,0,0,0|0,0,0]=2 1455 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4061410149 [0,1,1,0,0,0|0,0,0]=2 1456 B11R0.42 CCCCCCOC(C)C(=O)O MCULE-5771954047 [0,1,1,0,0,0|1,0,0]=3 1457 B11R0.42 CCCCSCCC(N)C(=O)O MCULE-9943276345 [0,1,1,0,0,0|1,0,0]=3 1458 B11R0.42 CCCCSCC[C@@H](N)C(=O)O MCULE-5947369888 [0,1,1,0,0,0|1,0,0]=3 1459 B11R0.42 CCCCSCC[C@H](N)C(=O)O MCULE-6636715475 [0,1,1,0,0,0|1,0,0]=3 1460 B11R0.42 CCOCCNCC(C)C(=O)O MCULE-1411337428 [0,1,1,0,0,0|2,0,0]=4 1461 B11R0.42 CCOCCNCC(C)C(=O)O MCULE-9110675077 [0,1,1,0,0,0|2,0,0]=4 1462 B11R0.46 C=C(C)CCC(C)CCCCC MCULE-6425071148 [0,1,1,0,0,0|2,0,0]=4 1463 B11R0.46 CCCCCC(=O)CCC(=O)O MCULE-5964650416 [0,1,1,0,0,0|0,0,1]=3 1464 B11R0.46 CCCCCC(=O)NCC(=O)O MCULE-3960557642 [0,1,1,0,0,0|1,0,1]=4 1465 B11R0.46 CCCCCC(C)CCC(=O)O MCULE-3703948906 [0,1,1,0,0,0|0,0,0]=2 1466 B11R0.46 CCCCCC(O)/C=C/C(=O)O MCULE-9091234698 [0,1,1,0,0,0|0,0,2]=4 1467 B11R0.46 CCCCCC(O)C=CC(=O)O MCULE-5393476184 [0,1,1,0,0,0|0,0,2]=4 1468 B11R0.46 CCCCCC(O)CCC(=O)N MCULE-6288630989 [0,1,1,0,0,0|1,0,0]=3 1469 B11R0.46 CCCCCN(C)CCC(=O)O MCULE-4617741875 [0,1,1,0,0,0|1,0,0]=3 1470 B11R0.46 CCCCCN(C)CCC(=O)O MCULE-9023573702 [0,1,1,0,0,0|1,0,0]=3 1471 B11R0.46 CCCCNC(=O)CCC(=O)O MCULE-8929331080 [0,1,1,0,0,0|1,0,1]=4 1472 B11R0.111 CCC(=O)CCCCCC(=O)O MCULE-8603570043 [0,1,1,0,0,0|0,0,1]=3 1473 B11R0.111 CCC(C)CCCCCC(=O)O MCULE-5195758876 [0,1,1,0,0,0|0,0,0]=2 1474 B11R0.111 COC(=O)CCCCCC(=O)O MCULE-7307151830 [0,1,1,0,0,0|1,0,1]=4 1475 B11R0.111 O=C(O)CCCSCC(O)CO MCULE-6771933903 [0,1,1,0,0,0|2,0,0]=4 1476 B11R0.147 CCCCC(=O)CCCC(=O)O MCULE-4828153043 [0,1,1,0,0,0|0,0,1]=3 1477 B11R0.147 CCCCC(C)CCCC(=O)O MCULE-8642965123 [0,1,1,0,0,0|0,0,0]=2 1478 B11R0.147 CCCNC(=O)CCCC(=O)O MCULE-5121990390 [0,1,1,0,0,0|1,0,1]=4 1479 B11R0.148 C#CCCCCCCCC(=O)O MCULE-1292545040 [0,1,1,0,0,0|0,0,1]=3 1480 B11R0.148 C=C(Br)CCCCCCCCC MCULE-3332268450 [0,1,1,0,0,0|2,0,0]=4 1481 B11R0.148 C=C(C)CCCCCCCCC MCULE-1709497926 [0,1,1,0,0,0|2,0,0]=4 1482 B11R0.148 C=C(Cl)CCCCCCCCC MCULE-9304719526 [0,1,1,0,0,0|2,0,0]=4 1483 B11R0.148 C=CCCCCCCCC(=O)O MCULE-3892173219 [0,1,1,0,0,0|0,0,1]=3 1484 B11R0.148 C=CCCOCCCCC(=O)O MCULE-6026091154 [0,1,1,0,0,0|0,0,2]=4 1485 B11R0.148 C=CCOCCCCCC(=O)O MCULE-9227890338 [0,1,1,0,0,0|0,0,2]=4 1486 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [0,1,1,0,0,0|1,0,0]=3 1487 B11R0.148 CC(O)CCCCCCCCO MCULE-6820244164 [0,1,1,0,0,0|1,0,1]=4 1488 B11R0.148 CCCCC/C=C/CCC(=O)O MCULE-1356880290 [0,1,1,0,0,0|0,0,1]=3 1489 B11R0.148 CCCCCC/C=C/CC(=O)O MCULE-1834860815 [0,1,1,0,0,0|0,0,1]=3 1490 B11R0.148 CCCCCC=CCCC(=O)O MCULE-1637451620 [0,1,1,0,0,0|0,0,1]=3 1491 B11R0.148 CCCCCCC/C=C/C(=O)O MCULE-3189731619 [0,1,1,0,0,0|0,0,1]=3 1492 B11R0.148 CCCCCCC/C=C\C(=O)O MCULE-5508964733 [0,1,1,0,0,0|0,0,1]=3 1493 B11R0.148 CCCCCCC=CCC(=O)O MCULE-5816262119 [0,1,1,0,0,0|0,0,1]=3 1494 B11R0.148 CCCCCCCC=CC(=O)O MCULE-9648702049 [0,1,1,0,0,0|0,0,1]=3 1495 B11R0.148 CCCCCCCCCC(=N)N MCULE-6113298447 [0,1,1,0,0,0|2,0,0]=4 1496 B11R0.148 CCCCCCCCCC(=N)N MCULE-7599360964 [0,1,1,0,0,0|2,0,0]=4 1497 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [0,1,1,0,0,0|1,0,0]=3 1498 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [0,1,1,0,0,0|1,0,0]=3 1499 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [0,1,1,0,0,0|1,0,0]=3 1500 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [0,1,1,0,0,0|1,0,0]=3 1501 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [0,1,1,0,0,0|0,0,0]=2 1502 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [0,1,1,0,0,0|0,0,0]=2 1503 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [0,1,1,0,0,0|0,0,1]=3 1504 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [0,1,1,0,0,0|0,0,1]=3 1505 B11R0.148 CCCCCCCCCC(C)O MCULE-8628471202 [0,1,1,0,0,0|1,0,1]=4 1506 B11R0.148 CCCCCCCCCN(=O)=O MCULE-5909474153 [0,1,1,0,0,0|1,0,1]=4 1507 B11R0.148 CCCCCCCCN=C(N)N MCULE-8281267777 [0,1,1,0,0,0|2,0,0]=4 1508 B11R0.148 CCCCCCCCN=C(N)N MCULE-9658902055 [0,1,1,0,0,0|2,0,0]=4 1509 B11R0.148 CCCCCCCCNC(=O)N MCULE-1005292011 [0,1,1,0,0,0|1,0,0]=3 1510 B11R0.148 CCCCCCCCNC(=S)N MCULE-3981792857 [0,1,1,0,0,0|1,1,0]=4 1511 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [0,1,1,0,0,0|1,0,0]=3 1512 B11R0.148 CCCCCCCCOC(=O)Cl MCULE-2623966790 [0,1,1,0,0,0|1,0,0]=3 1513 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-4226166972 [0,1,1,0,0,0|0,2,0]=4 1514 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-7459596444 [0,1,1,0,0,0|0,2,0]=4 1515 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [0,1,1,0,0,0|0,0,0]=2 1516 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [0,1,1,0,0,0|0,0,0]=2 1517 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [0,1,1,0,0,0|0,0,0]=2 1518 B11R0.148 CCCCOCCOCC(=O)O MCULE-3118678736 [0,1,1,0,0,0|1,0,0]=3 1519 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [0,1,1,0,0,0|0,0,0]=2 1520 B11R0.148 CCOCCOCCCC(=O)O MCULE-5210306588 [0,1,1,0,0,0|1,0,0]=3 1521 B11R0.148 COCCOCCOCC(=O)O MCULE-8142044106 [0,1,1,0,0,0|2,0,0]=4 1522 B11R0.148 N#N=NCCCCCCC(=O)O MCULE-5582413457 [0,1,1,0,0,0|2,0,0]=4 1523 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [0,1,1,0,0,0|1,0,0]=3 1524 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [0,1,1,0,0,0|0,0,0]=2 1525 B11R0.148 NCCOCCOCCC(=O)O MCULE-7286284064 [0,1,1,0,0,0|2,0,0]=4 1526 B11R0.148 NCCOCCOCCC(=O)O MCULE-8782232340 [0,1,1,0,0,0|2,0,0]=4 1527 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [0,1,1,0,0,0|0,0,0]=2 1528 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [0,1,1,0,0,0|0,0,0]=2 1529 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [0,1,1,0,0,0|0,0,0]=2 1530 B11R0.148 O=C(O)CCOCCOCCBr MCULE-3253906029 [0,1,1,0,0,0|2,0,0]=4 1531 B11R0.148 O=C(O)CCOCCOCCO MCULE-9797832183 [0,1,1,0,0,0|2,0,0]=4 1532 B11R0.148 O=C(O)CCOCCOCCS MCULE-1627429574 [0,1,1,0,0,0|2,0,0]=4 1533 B11R0.148 O=CCCCCCCCC(=O)O MCULE-8345312745 [0,1,1,0,0,0|0,0,1]=3 1534 B11R0.148 O=N(=O)CCCCCCCCBr MCULE-5806801538 [0,1,1,0,0,0|1,0,1]=4 1535 B11R0.148 O=N(=O)CCCCCCCCO MCULE-3641883800 [0,1,1,0,0,0|1,0,1]=4 1536 B11R0.159 CCCCCCCCP(=O)(Cl)Cl MCULE-8094082819 [0,1,1,0,0,0|2,0,0]=4 1537 B11R0.159 CCCCCCCCP(=O)(O)O MCULE-2397771742 [0,1,1,0,0,0|1,0,0]=3 1538 B11R0.159 CCCCCCCCS(=O)(=O)Cl MCULE-7906722324 [0,1,1,0,0,0|1,0,1]=4 1539 B11R0.159 CCCCCCCCS(=O)(=O)N MCULE-8276362302 [0,1,1,0,0,0|1,0,1]=4 1540 B11R0.159 CCCCCCCCS(=O)(=O)O MCULE-2083628454 [0,1,1,0,0,0|1,0,0]=3 1541 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MCULE-9017426987 [0,1,1,0,0,0|1,0,1]=4 1542 B11R0.159 CCCCCCCOS(=O)(=O)O MCULE-8923295424 [0,1,1,0,0,0|2,0,0]=4 1543 B11R0.176 CCCC(=O)CCCCC(=O)O MCULE-8623857142 [0,1,1,0,0,0|0,0,1]=3 1544 B11R0.176 CCOC(=O)CCCCC(=O)O MCULE-2798201385 [0,1,1,0,0,0|1,0,1]=4 1545 B11R0.176 O=C(O)CCCCC(Cl)CCCl MCULE-3578422199 [0,1,1,0,0,0|1,0,0]=3 1546 B11R0.176 O=C(O)CCCCC(O)CCO MCULE-6457534836 [0,1,1,0,0,0|1,0,0]=3 1547 B11R0.176 O=C(O)CCCCC(S)CCS MCULE-3176735035 [0,1,1,0,0,0|1,0,0]=3 1548 B11R0.176 O=C(O)CCCC[C@@H](S)CCS MCULE-1048565718 [0,1,1,0,0,0|1,0,0]=3 1549 B11R0.146 CCCC(CCC(=O)O)C(=O)C MCULE-2427095523 [0,1,1,0,0,0|0,0,1]=3 1550 B11R0.164 C=C(C)CCC(CC)CCCC MCULE-9594149600 [0,1,1,0,0,0|2,0,0]=4 1551 B11R0.164 CCCCC(CC)CCC(=O)O MCULE-2748338407 [0,1,1,0,0,0|0,0,0]=2 1552 B11R0.164 CCCCC(CC)COC(=O)C MCULE-1515060609 [0,1,1,0,0,0|2,0,0]=4 1553 B11R0.164 CCCCC(CC)COC(=O)Cl MCULE-8271019326 [0,1,1,0,0,0|2,0,0]=4 1554 B11R0.164 CCCCC(CC)COC(=O)N MCULE-4155606181 [0,1,1,0,0,0|2,0,0]=4 1555 B11R0.164 CCCCN(CC)CCC(=O)O MCULE-9892564778 [0,1,1,0,0,0|1,0,0]=3 1556 B11R0.280 CCCC(CCC)CCC(=O)O MCULE-2758574417 [0,1,1,0,0,0|0,0,0]=2 1557 B11R0.280 CCCN(CCC)CCC(=O)O MCULE-6610337876 [0,1,1,0,0,0|1,0,0]=3 1558 B11R0.70 COCCN(C)CCC(=O)OC MCULE-2219607633 [0,1,1,0,0,0|2,0,0]=4 1559 B11R0.85 CC(C)CCC(N)CCC(=O)O MCULE-9725755461 [0,1,1,0,0,0|1,0,0]=3 1560 B11R0.219 CCCCP(=O)(O)CCC(=O)O MCULE-4948650067 [0,1,1,0,0,0|2,0,0]=4 1561 B11R0.219 CCCCS(=O)(=O)CCC(=O)O MCULE-7660786035 [0,1,1,0,0,0|2,0,0]=4 1562 B11R1.1 C1(CCC(CC1)CCCC)N MCULE-7865667566 [1,1,0,0,0,0|1,0,1]=4 1563 B11R1.1 C=CCCC1CCN(CC1)C MCULE-1308368557 [1,1,0,0,0,0|2,0,0]=4 1564 B11R1.1 C=CCCN1CCC(CC1)N MCULE-1117854553 [1,1,0,0,0,0|2,0,0]=4 1565 B11R1.1 C=CCCN1CCC(CC1)N MCULE-4410588518 [1,1,0,0,0,0|2,0,0]=4 1566 B11R1.1 CC1CCN(CC1)CCCO MCULE-7843530700 [1,1,0,0,0,0|1,0,1]=4 1567 B11R1.1 CCCCC1CCC(CC1)O MCULE-6254197353 [1,1,0,0,0,0|1,0,1]=4 1568 B11R1.1 CN1CCC(CC1)CCCO MCULE-6611447902 [1,1,0,0,0,0|1,0,1]=4 1569 B11R1.1 N#CCC[C@H]1CC[C@@H](CC1)N MCULE-5225161107 [1,1,0,0,0,0|1,0,1]=4 1570 B11R1.1 N#CCC[C@H]1CC[C@@H](CC1)N MCULE-6115800464 [1,1,0,0,0,0|1,0,1]=4 1571 B11R1.1 NC1CCC(CC1)NCCO MCULE-5133333207 [1,1,0,0,0,0|1,0,1]=4 1572 B11R1.1 [C@@H]1(CC[C@@H](CC1)CCCC)O MCULE-2232182383 [1,1,0,0,0,0|1,0,1]=4 1573 B11R1.16 C/C=C/C(O)C1CCCCC1 MCULE-8388524100 [1,1,0,0,0,0|1,0,1]=4 1574 B11R1.16 CC(CCO)C1CCNCC1 MCULE-4667043187 [1,1,0,0,0,0|1,0,1]=4 1575 B11R1.16 CC(NC=O)C1CCCCC1 MCULE-8575544062 [1,1,0,0,0,0|1,0,0]=3 1576 B11R1.16 CC=CC(O)C1CCCCC1 MCULE-5525729146 [1,1,0,0,0,0|1,0,1]=4 1577 B11R1.16 CCCC(N)C1CCCCC1 MCULE-6305435948 [1,1,0,0,0,0|1,0,1]=4 1578 B11R1.16 CCCC(O)C1CCCCC1 MCULE-3498852587 [1,1,0,0,0,0|1,0,1]=4 1579 B11R1.16 CNCC(C)C1CCCCC1 MCULE-4133409108 [1,1,0,0,0,0|2,0,0]=4 1580 B11R1.16 CNCC(C)C1CCCCC1 MCULE-5714312893 [1,1,0,0,0,0|2,0,0]=4 1581 B11R1.16 C[C@H](N=C=O)C1CCCCC1 MCULE-5920023948 [1,1,0,0,0,0|1,0,1]=4 1582 B11R1.16 C[C@H](N=C=O)C1CCCCC1 MCULE-8066440136 [1,1,0,0,0,0|1,0,1]=4 1583 B11R1.16 NC(CCO)C1CCCCC1 MCULE-7245890915 [1,1,0,0,0,0|0,0,1]=3 1584 B11R1.16 NC(CCO)C1CCCCC1 MCULE-9884454535 [1,1,0,0,0,0|0,0,1]=3 1585 B11R1.16 NC(CCO)C1CCOCC1 MCULE-2681332250 [1,1,0,0,0,0|1,0,1]=4 1586 B11R1.16 NC(CCO)C1CCOCC1 MCULE-5518851913 [1,1,0,0,0,0|1,0,1]=4 1587 B11R1.16 NCCC(O)C1CCCCC1 MCULE-3023173021 [1,1,0,0,0,0|1,0,1]=4 1588 B11R1.16 O=C(CCO)C1CCCCC1 MCULE-2427892471 [1,1,0,0,0,0|0,0,2]=4 1589 B11R1.16 O=CCC(O)C1CCCCC1 MCULE-1523208411 [1,1,0,0,0,0|0,0,0]=2 1590 B11R1.16 OCCC(O)C1CCNCC1 MCULE-8204754878 [1,1,0,0,0,0|1,0,1]=4 1591 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O MCULE-9735733156 [1,1,0,0,0,0|2,0,0]=4 1592 B11R1.17 C=CCN[C@H]1CCCC[C@@H]1O MCULE-7288532879 [1,1,0,0,0,0|2,0,0]=4 1593 B11R1.17 CCCCC1CCCCC1O MCULE-7002165342 [1,1,0,0,0,0|1,0,1]=4 1594 B11R1.17 NCCCC1CCCCC1O MCULE-4985421129 [1,1,0,0,0,0|1,0,1]=4 1595 B11R1.17 O=C1CCCCC1CCCO MCULE-6491492717 [1,1,0,0,0,0|0,0,2]=4 1596 B11R1.24 NC1CCCN(C1)CCCO MCULE-1486582192 [1,1,0,0,0,0|1,0,1]=4 1597 B11R1.28 BrCCCCC1CCCCC1 MCULE-1688175311 [1,1,0,0,0,0|1,0,1]=4 1598 B11R1.28 BrCCCOC1CCCCC1 MCULE-6709385619 [1,1,0,0,0,0|1,0,1]=4 1599 B11R1.28 C=CCCCC1CCCCC1 MCULE-7312271164 [1,1,0,0,0,0|1,0,0]=3 1600 B11R1.28 C=CCCOC1CCCCC1 MCULE-8490111049 [1,1,0,0,0,0|1,0,0]=3 1601 B11R1.28 C=CCNCC1CCCCC1 MCULE-2828762425 [1,1,0,0,0,0|1,0,0]=3 1602 B11R1.28 C=CCOCC1CCCNC1 MCULE-1368763746 [1,1,0,0,0,0|2,0,0]=4 1603 B11R1.28 C=CCOCC1CCCNC1 MCULE-4346971641 [1,1,0,0,0,0|2,0,0]=4 1604 B11R1.28 C=CCOCC1CCNCC1 MCULE-7608824055 [1,1,0,0,0,0|2,0,0]=4 1605 B11R1.28 C=CCOCC1CCNCC1 MCULE-8864254888 [1,1,0,0,0,0|2,0,0]=4 1606 B11R1.28 CCCCCC1CCCCC1 MCULE-8832032133 [1,1,0,0,0,0|1,0,1]=4 1607 B11R1.28 CCCCNC1CCCCC1 MCULE-2774132748 [1,1,0,0,0,0|1,0,1]=4 1608 B11R1.28 CCCCNC1CCCCC1 MCULE-7612672790 [1,1,0,0,0,0|1,0,1]=4 1609 B11R1.28 CCCNCC1CCCCC1 MCULE-3141764161 [1,1,0,0,0,0|1,0,1]=4 1610 B11R1.28 CCCNCC1CCCCC1 MCULE-4265324682 [1,1,0,0,0,0|1,0,1]=4 1611 B11R1.28 CNCCCC1CCCCC1 MCULE-9069202916 [1,1,0,0,0,0|1,0,1]=4 1612 B11R1.28 CNCCNC1CCCCC1 MCULE-1005065702 [1,1,0,0,0,0|2,0,0]=4 1613 B11R1.28 COCCCC1CCCCN1 MCULE-4074520103 [1,1,0,0,0,0|1,0,1]=4 1614 B11R1.28 COCCCC1CCCNC1 MCULE-7667635288 [1,1,0,0,0,0|1,0,1]=4 1615 B11R1.28 COCCCC1CCNCC1 MCULE-3809566423 [1,1,0,0,0,0|1,0,1]=4 1616 B11R1.28 ClCCCOC1CCCCC1 MCULE-4603008047 [1,1,0,0,0,0|1,0,1]=4 1617 B11R1.28 ICCCCC1CCCCC1 MCULE-6154026120 [1,1,0,0,0,0|1,0,1]=4 1618 B11R1.28 N#CCCNC1CCCCC1 MCULE-2902362345 [1,1,0,0,0,0|1,0,1]=4 1619 B11R1.28 N#CCCOC1CCCCC1 MCULE-6114708679 [1,1,0,0,0,0|1,0,1]=4 1620 B11R1.28 N#N=NCCC1CCCCC1 MCULE-5737809901 [1,1,0,0,0,0|2,0,0]=4 1621 B11R1.28 NCCCCC1CCCCC1 MCULE-2906458062 [1,1,0,0,0,0|1,0,1]=4 1622 B11R1.28 NCCCNC1CCCCC1 MCULE-4064689865 [1,1,0,0,0,0|1,0,1]=4 1623 B11R1.28 NCCCOC1CCCCC1 MCULE-3609935064 [1,1,0,0,0,0|1,0,1]=4 1624 B11R1.28 NCCCSC1CCCCC1 MCULE-7953895791 [1,1,0,0,0,0|1,0,1]=4 1625 B11R1.28 NCCOCC1CCCCC1 MCULE-9417766642 [1,1,0,0,0,0|1,0,1]=4 1626 B11R1.28 NN=CCCC1CCCCC1 MCULE-2623797759 [1,1,0,0,0,0|1,0,0]=3 1627 B11R1.28 NOCCCN1CCCCC1 MCULE-9018743829 [1,1,0,0,0,0|1,0,1]=4 1628 B11R1.28 O=CCCCC1CCCCC1 MCULE-8571570461 [1,1,0,0,0,0|0,0,0]=2 1629 B11R1.28 O=CCCCN1CCOCC1 MCULE-4787055493 [1,1,0,0,0,0|2,0,0]=4 1630 B11R1.28 O=CCCOC1CCCCC1 MCULE-4673250182 [1,1,0,0,0,0|0,0,0]=2 1631 B11R1.28 O=CCOCC1CCCCC1 MCULE-7612102606 [1,1,0,0,0,0|0,0,0]=2 1632 B11R1.28 O=CCOCC1CCOCC1 MCULE-1054046333 [1,1,0,0,0,0|1,0,0]=3 1633 B11R1.28 OCCCCC1CCCCC1 MCULE-3644108501 [1,1,0,0,0,0|0,0,1]=3 1634 B11R1.28 OCCCCC1CCCCN1 MCULE-3714334346 [1,1,0,0,0,0|1,0,1]=4 1635 B11R1.28 OCCCCC1CCCNC1 MCULE-7769059484 [1,1,0,0,0,0|1,0,1]=4 1636 B11R1.28 OCCCCC1CCNCC1 MCULE-2492519799 [1,1,0,0,0,0|1,0,1]=4 1637 B11R1.28 OCCCCC1CCNCC1 MCULE-9994111075 [1,1,0,0,0,0|1,0,1]=4 1638 B11R1.28 OCCCCN1CCCCC1 MCULE-7640069933 [1,1,0,0,0,0|1,0,1]=4 1639 B11R1.28 OCCCCN1CCCCC1 MCULE-9734250002 [1,1,0,0,0,0|1,0,1]=4 1640 B11R1.28 OCCCNC1CCCCC1 MCULE-4167772942 [1,1,0,0,0,0|0,0,1]=3 1641 B11R1.28 OCCCOC1CCCCC1 MCULE-3209317348 [1,1,0,0,0,0|0,0,1]=3 1642 B11R1.28 OCCCOC1CCNCC1 MCULE-9598658755 [1,1,0,0,0,0|1,0,1]=4 1643 B11R1.28 OCCNCC1CCCCC1 MCULE-1393340274 [1,1,0,0,0,0|0,0,1]=3 1644 B11R1.28 OCCNCC1CCCCC1 MCULE-7217857602 [1,1,0,0,0,0|0,0,1]=3 1645 B11R1.28 ON=CCCC1CCCCC1 MCULE-7103143157 [1,1,0,0,0,0|0,0,0]=2 1646 B11R1.40 C=CC(O)CC1CCOCC1 MCULE-2978231355 [1,1,0,0,0,0|2,0,0]=4 1647 B11R1.40 CC(C=O)CC1CCCCC1 MCULE-6301464995 [1,1,0,0,0,0|0,0,0]=2 1648 B11R1.40 CC(C=O)CC1CCOCC1 MCULE-6964561454 [1,1,0,0,0,0|1,0,0]=3 1649 B11R1.40 CC(CO)CC1CCCCC1 MCULE-5710897696 [1,1,0,0,0,0|0,0,1]=3 1650 B11R1.40 CC(CO)CC1CCNCC1 MCULE-7484862437 [1,1,0,0,0,0|1,0,1]=4 1651 B11R1.40 CC(CO)CC1CCOCC1 MCULE-4998013729 [1,1,0,0,0,0|1,0,1]=4 1652 B11R1.40 CC(CO)CN1CCCCC1 MCULE-3743748086 [1,1,0,0,0,0|1,0,1]=4 1653 B11R1.40 CNC(C)CC1CCCCC1 MCULE-2385886171 [1,1,0,0,0,0|2,0,0]=4 1654 B11R1.40 CNC(C)CC1CCCCC1 MCULE-5738899676 [1,1,0,0,0,0|2,0,0]=4 1655 B11R1.40 CNC(C)CC1CCCCC1 MCULE-7865947392 [1,1,0,0,0,0|2,0,0]=4 1656 B11R1.40 NC(CO)CC1CCCCC1 MCULE-8374243800 [1,1,0,0,0,0|0,0,1]=3 1657 B11R1.40 NC(CO)CC1CCOCC1 MCULE-5607116203 [1,1,0,0,0,0|1,0,1]=4 1658 B11R1.40 NC(CO)CN1CCCCC1 MCULE-1973513857 [1,1,0,0,0,0|1,0,1]=4 1659 B11R1.40 NC(CO)CN1CCCCC1 MCULE-9613799240 [1,1,0,0,0,0|1,0,1]=4 1660 B11R1.40 N[C@@H](CO)CC1CCCCC1 MCULE-4544384276 [1,1,0,0,0,0|0,0,1]=3 1661 B11R1.40 N[C@@H](CO)CC1CCCCC1 MCULE-6032597145 [1,1,0,0,0,0|0,0,1]=3 1662 B11R1.40 N[C@H](CO)CC1CCCCC1 MCULE-1723145852 [1,1,0,0,0,0|0,0,1]=3 1663 B11R1.40 N[C@H](CO)CC1CCCCC1 MCULE-5455203223 [1,1,0,0,0,0|0,0,1]=3 1664 B11R1.40 N[C@H](CO)CC1CCCCC1 MCULE-6610942551 [1,1,0,0,0,0|0,0,1]=3 1665 B11R1.40 N[C@H](CO)CC1CCCCC1 MCULE-9072100331 [1,1,0,0,0,0|0,0,1]=3 1666 B11R1.40 O/N=C(\Cl)/CC1CCCCC1 MCULE-8496105670 [1,1,0,0,0,0|1,0,1]=4 1667 B11R1.40 OCC(O)CN1CCCCC1 MCULE-6175373474 [1,1,0,0,0,0|1,0,1]=4 1668 B11R1.40 [NH3+]C(CO)CC1CCCCC1 MCULE-8144051276 [1,1,0,0,0,0|0,0,1]=3 1669 B11R1.900 CCCCC1(CCCCC1)O MCULE-1667452450 [1,1,0,0,0,0|1,0,1]=4 1670 B11R1.900 OCCCC1(CCNCC1)O MCULE-8177506733 [1,1,0,0,0,0|1,0,1]=4 1671 B11R1.20 CC(=O)NC1CCC(CC1)Br MCULE-2714205732 [0,1,0,0,1,0|2,0,0]=4 1672 B11R1.20 CC(=O)NC1CCC(CC1)Cl MCULE-5458062636 [0,1,0,0,1,0|2,0,0]=4 1673 B11R1.20 CC(=O)NC1CCC(CC1)I MCULE-8279325770 [0,1,0,0,1,0|2,0,0]=4 1674 B11R1.20 CC(=O)NC1CCC(CC1)N MCULE-1813203200 [0,1,0,0,1,0|2,0,0]=4 1675 B11R1.20 CC(=O)NC1CCC(CC1)N MCULE-9889880416 [0,1,0,0,1,0|2,0,0]=4 1676 B11R1.20 CC(=O)NC1CCC(CC1)O MCULE-4935359894 [0,1,0,0,1,0|2,0,0]=4 1677 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C MCULE-8580957881 [0,1,0,0,1,0|2,0,0]=4 1678 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)N MCULE-4250787839 [0,1,0,0,1,0|2,0,0]=4 1679 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)N MCULE-6663619510 [0,1,0,0,1,0|2,0,0]=4 1680 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)O MCULE-7696004406 [0,1,0,0,1,0|2,0,0]=4 1681 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)C MCULE-5716808523 [0,1,0,0,1,0|2,0,0]=4 1682 B11R1.20 CC1CCC(=CC(=O)O)CC1 MCULE-3219235277 [0,1,0,0,1,0|0,0,2]=4 1683 B11R1.20 CC1CCC(CC1)CC(=O)O MCULE-4709512543 [0,1,0,0,1,0|0,0,0]=2 1684 B11R1.20 CC1CCN(CC1)CC(=O)N MCULE-1527061376 [0,1,0,0,1,0|2,0,0]=4 1685 B11R1.20 CC1CCN(CC1)CC(=O)O MCULE-3374231759 [0,1,0,0,1,0|1,0,0]=3 1686 B11R1.20 CC1CCN(CC1)CC(=O)O MCULE-5790933306 [0,1,0,0,1,0|1,0,0]=3 1687 B11R1.20 CN1CCC(CC1)CC(=O)O MCULE-5663210558 [0,1,0,0,1,0|1,0,0]=3 1688 B11R1.20 CN1CCC(CC1)CC(=O)O MCULE-8825370932 [0,1,0,0,1,0|1,0,0]=3 1689 B11R1.20 CN1CCN(CC1)CC(=O)O MCULE-1850585518 [0,1,0,0,1,0|2,0,0]=4 1690 B11R1.20 CN1CCN(CC1)CC(=O)O MCULE-9524671097 [0,1,0,0,1,0|2,0,0]=4 1691 B11R1.20 C[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-6731009022 [0,1,0,0,1,0|0,0,0]=2 1692 B11R1.20 NC(=O)CN1CCC(CC1)N MCULE-4701500422 [0,1,0,0,1,0|2,0,0]=4 1693 B11R1.20 NC(=O)CN1CCC(CC1)N MCULE-7702620673 [0,1,0,0,1,0|2,0,0]=4 1694 B11R1.20 NC(=O)C[C@H]1CC[C@@H](CC1)N MCULE-3811015580 [0,1,0,0,1,0|1,0,0]=3 1695 B11R1.20 NC(=O)C[C@H]1CC[C@@H](CC1)N MCULE-5508464432 [0,1,0,0,1,0|1,0,0]=3 1696 B11R1.20 NC(=O)NC1CCC(CC1)O MCULE-8332331754 [0,1,0,0,1,0|2,0,0]=4 1697 B11R1.20 NC1CCC(CC1)CC(=O)O MCULE-7784789459 [0,1,0,0,1,0|0,0,0]=2 1698 B11R1.20 NC1CCN(CC1)CC(=O)O MCULE-1681948264 [0,1,0,0,1,0|1,0,0]=3 1699 B11R1.20 NC1CCN(CC1)CC(=O)O MCULE-3213132372 [0,1,0,0,1,0|1,0,0]=3 1700 B11R1.20 NC1CCN(CC1)CC(=O)O MCULE-6377882759 [0,1,0,0,1,0|1,0,0]=3 1701 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-2303304803 [0,1,0,0,1,0|0,0,0]=2 1702 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-5990177555 [0,1,0,0,1,0|0,0,0]=2 1703 B11R1.20 N[C@H]1CC[C@H](CC1)CC(=O)O MCULE-4302933877 [0,1,0,0,1,0|0,0,0]=2 1704 B11R1.20 N[C@H]1CC[C@H](CC1)CC(=O)O MCULE-7773137329 [0,1,0,0,1,0|0,0,0]=2 1705 B11R1.20 O=C(O)CC1CCC(=O)CC1 MCULE-2016363878 [0,1,0,0,1,0|0,0,1]=3 1706 B11R1.20 O=C(O)CC1CCC(=O)NC1 MCULE-8185955859 [0,1,0,0,1,0|1,0,1]=4 1707 B11R1.20 O=C(O)CC1CCC(CC1)Cl MCULE-8089546058 [0,1,0,0,1,0|0,0,0]=2 1708 B11R1.20 O=C(O)CC1CCC(CC1)O MCULE-4327900578 [0,1,0,0,1,0|0,0,0]=2 1709 B11R1.20 O=C(O)CN1CCC(=O)CC1 MCULE-3025420805 [0,1,0,0,1,0|1,0,1]=4 1710 B11R1.20 O=C(O)CN1CCC(=O)CC1 MCULE-8201873344 [0,1,0,0,1,0|1,0,1]=4 1711 B11R1.20 O=C(O)CN1CCC(CC1)Br MCULE-2602154230 [0,1,0,0,1,0|1,0,0]=3 1712 B11R1.20 O=C(O)CN1CCC(CC1)Cl MCULE-1319189371 [0,1,0,0,1,0|1,0,0]=3 1713 B11R1.20 O=C(O)CN1CCC(CC1)I MCULE-9445005892 [0,1,0,0,1,0|1,0,0]=3 1714 B11R1.20 O=C(O)CN1CCC(CC1)O MCULE-6234398101 [0,1,0,0,1,0|1,0,0]=3 1715 B11R1.20 O=C(O)CN1CCS(=O)CC1 MCULE-4159908098 [0,1,0,0,1,0|2,0,0]=4 1716 B11R1.20 O=C(O)CN1CCS(=O)CC1 MCULE-5929217452 [0,1,0,0,1,0|2,0,0]=4 1717 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O MCULE-4456637498 [0,1,0,0,1,0|0,0,0]=2 1718 B11R1.20 O=C(O)C[C@H]1CC[C@H](CC1)O MCULE-7150660975 [0,1,0,0,1,0|0,0,0]=2 1719 B11R1.20 [NH3+]C1CCC(CC1)CC(=O)O MCULE-6083129512 [0,1,0,0,1,0|0,0,0]=2 1720 B11R1.36 CC(=C1CCCCC1)C(=O)O MCULE-5916603018 [0,1,0,0,1,0|0,0,2]=4 1721 B11R1.36 CC(=O)C(C)C1CCCCC1 MCULE-9060961966 [0,1,0,0,1,0|1,0,0]=3 1722 B11R1.36 CC(C(=O)O)C1CCCCC1 MCULE-7073762782 [0,1,0,0,1,0|0,0,0]=2 1723 B11R1.36 CC(C(=O)O)C1CCNCC1 MCULE-1056232308 [0,1,0,0,1,0|1,0,0]=3 1724 B11R1.36 CC(C(=O)O)C1CCNCC1 MCULE-9936644185 [0,1,0,0,1,0|1,0,0]=3 1725 B11R1.36 CC(C(=O)O)C1CCOCC1 MCULE-2495920353 [0,1,0,0,1,0|1,0,0]=3 1726 B11R1.36 CC(C(=O)O)N1CCCCC1 MCULE-8781256011 [0,1,0,0,1,0|1,0,0]=3 1727 B11R1.36 CC(C(=O)O)N1CCCCC1 MCULE-9082142746 [0,1,0,0,1,0|1,0,0]=3 1728 B11R1.36 CC(C(=O)O)N1CCNCC1 MCULE-6010830962 [0,1,0,0,1,0|2,0,0]=4 1729 B11R1.36 CC(C(=O)O)N1CCNCC1 MCULE-8464051315 [0,1,0,0,1,0|2,0,0]=4 1730 B11R1.36 CC(C(=O)O)N1CCOCC1 MCULE-1520669906 [0,1,0,0,1,0|2,0,0]=4 1731 B11R1.36 CC(C(=O)O)N1CCOCC1 MCULE-7353526707 [0,1,0,0,1,0|2,0,0]=4 1732 B11R1.36 CC(C(=O)O)N1CCSCC1 MCULE-2059812396 [0,1,0,0,1,0|2,0,0]=4 1733 B11R1.36 CN(C(=O)Cl)C1CCCCC1 MCULE-2444398289 [0,1,0,0,1,0|2,0,0]=4 1734 B11R1.36 C[C@@H](C(=O)O)C1CCCCC1 MCULE-1380670662 [0,1,0,0,1,0|0,0,0]=2 1735 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-4192983391 [0,1,0,0,1,0|2,0,0]=4 1736 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-7822882349 [0,1,0,0,1,0|2,0,0]=4 1737 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-9325871598 [0,1,0,0,1,0|2,0,0]=4 1738 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 MCULE-9501602403 [0,1,0,0,1,0|2,0,0]=4 1739 B11R1.36 C[C@H](C(=O)O)C1CCCCC1 MCULE-6704404403 [0,1,0,0,1,0|0,0,0]=2 1740 B11R1.36 C[C@H](C(=O)O)N1CCOCC1 MCULE-2246254781 [0,1,0,0,1,0|2,0,0]=4 1741 B11R1.36 C[C@H](C(=O)O)N1CCOCC1 MCULE-7398324122 [0,1,0,0,1,0|2,0,0]=4 1742 B11R1.36 NC(=O)C(F)C1CCNCC1 MCULE-2473361458 [0,1,0,0,1,0|2,0,0]=4 1743 B11R1.36 NC(=O)C(F)C1CCNCC1 MCULE-7580412332 [0,1,0,0,1,0|2,0,0]=4 1744 B11R1.36 NC(=O)C(N)C1CCCCC1 MCULE-4289358018 [0,1,0,0,1,0|1,0,0]=3 1745 B11R1.36 NC(=O)C(O)C1CCOCC1 MCULE-9262690898 [0,1,0,0,1,0|2,0,0]=4 1746 B11R1.36 NC(C(=O)O)C1CC=CCC1 MCULE-8998480466 [0,1,0,0,1,0|0,0,2]=4 1747 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-1846014205 [0,1,0,0,1,0|0,0,0]=2 1748 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-2033801873 [0,1,0,0,1,0|0,0,0]=2 1749 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-4412820367 [0,1,0,0,1,0|0,0,0]=2 1750 B11R1.36 NC(C(=O)O)C1CCCCC1 MCULE-6865831162 [0,1,0,0,1,0|0,0,0]=2 1751 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-4787612648 [0,1,0,0,1,0|1,0,0]=3 1752 B11R1.36 NC(C(=O)O)C1CCCCN1 MCULE-7916436523 [0,1,0,0,1,0|1,0,0]=3 1753 B11R1.36 NC(C(=O)O)C1CCCNC1 MCULE-5536275038 [0,1,0,0,1,0|1,0,0]=3 1754 B11R1.36 NC(C(=O)O)C1CCCOC1 MCULE-6641388094 [0,1,0,0,1,0|1,0,0]=3 1755 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-3326635011 [0,1,0,0,1,0|1,0,0]=3 1756 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-5860428330 [0,1,0,0,1,0|1,0,0]=3 1757 B11R1.36 NC(C(=O)O)C1CCOCC1 MCULE-9241993616 [0,1,0,0,1,0|1,0,0]=3 1758 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-3443210425 [0,1,0,0,1,0|0,0,0]=2 1759 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-4731070853 [0,1,0,0,1,0|0,0,0]=2 1760 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6698336499 [0,1,0,0,1,0|0,0,0]=2 1761 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 MCULE-6855404620 [0,1,0,0,1,0|0,0,0]=2 1762 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-4067475583 [0,1,0,0,1,0|1,0,0]=3 1763 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-4605949678 [0,1,0,0,1,0|1,0,0]=3 1764 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-7160845829 [0,1,0,0,1,0|1,0,0]=3 1765 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 MCULE-8127248642 [0,1,0,0,1,0|1,0,0]=3 1766 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1545974835 [0,1,0,0,1,0|0,0,0]=2 1767 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-1933038118 [0,1,0,0,1,0|0,0,0]=2 1768 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-2164840222 [0,1,0,0,1,0|0,0,0]=2 1769 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9858528992 [0,1,0,0,1,0|0,0,0]=2 1770 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 MCULE-9914793144 [0,1,0,0,1,0|0,0,0]=2 1771 B11R1.36 N[C@H](C(=O)O)C1CCNCC1 MCULE-3998200055 [0,1,0,0,1,0|1,0,0]=3 1772 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-2693360453 [0,1,0,0,1,0|1,0,0]=3 1773 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-5518278339 [0,1,0,0,1,0|1,0,0]=3 1774 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 MCULE-9024352263 [0,1,0,0,1,0|1,0,0]=3 1775 B11R1.36 O=C(O)C(=C1CCCCC1)F MCULE-3891003655 [0,1,0,0,1,0|0,0,2]=4 1776 B11R1.36 O=C(O)C(=O)C1CCCCC1 MCULE-8959024132 [0,1,0,0,1,0|0,0,1]=3 1777 B11R1.36 O=C(O)C(=O)C1CCOCC1 MCULE-3496647241 [0,1,0,0,1,0|1,0,1]=4 1778 B11R1.36 O=C(O)C(=O)N1CCCCC1 MCULE-8703593629 [0,1,0,0,1,0|1,0,1]=4 1779 B11R1.36 O=C(O)C(F)C1CCCCC1 MCULE-1489080540 [0,1,0,0,1,0|0,0,0]=2 1780 B11R1.36 O=C(O)C(F)C1CCOCC1 MCULE-4691952590 [0,1,0,0,1,0|1,0,0]=3 1781 B11R1.36 O=C(O)C(O)C1CCCCC1 MCULE-1137791149 [0,1,0,0,1,0|0,0,0]=2 1782 B11R1.36 O=C(O)C(O)C1CCCNC1 MCULE-1767872209 [0,1,0,0,1,0|1,0,0]=3 1783 B11R1.36 O=C(O)C(O)C1CCCNC1 MCULE-6745265789 [0,1,0,0,1,0|1,0,0]=3 1784 B11R1.36 O=C(O)C(O)C1CCOCC1 MCULE-5923962415 [0,1,0,0,1,0|1,0,0]=3 1785 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 MCULE-2724503390 [0,1,0,0,1,0|0,0,0]=2 1786 B11R1.36 O=C(O)[C@@H](O)C1CCCCC1 MCULE-6659758826 [0,1,0,0,1,0|0,0,0]=2 1787 B11R1.36 O=C(O)[C@@H](O)C1CCOCC1 MCULE-6979522096 [0,1,0,0,1,0|1,0,0]=3 1788 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 MCULE-2949323528 [0,1,0,0,1,0|0,0,0]=2 1789 B11R1.36 O=C(O)[C@H](O)C1CCCCC1 MCULE-3804932181 [0,1,0,0,1,0|0,0,0]=2 1790 B11R1.36 [C@@H]1(CCCNC1)C(N)C(=O)O MCULE-6149074850 [0,1,0,0,1,0|1,0,0]=3 1791 B11R1.36 [C@@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7684614655 [0,1,0,0,1,0|1,0,0]=3 1792 B11R1.36 [C@@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-3256486770 [0,1,0,0,1,0|1,0,0]=3 1793 B11R1.36 [C@H](N)(C(=O)O)C1CCCCC1 MCULE-2416228483 [0,1,0,0,1,0|0,0,0]=2 1794 B11R1.36 [C@H]1(CCCNC1)C(N)C(=O)O MCULE-3096261009 [0,1,0,0,1,0|1,0,0]=3 1795 B11R1.36 [C@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7922011516 [0,1,0,0,1,0|1,0,0]=3 1796 B11R1.36 [C@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-6518139620 [0,1,0,0,1,0|1,0,0]=3 1797 B11R1.86 CC(=O)CC1CCCCC1=O MCULE-3575915774 [0,1,0,0,1,0|1,0,1]=4 1798 B11R1.86 CC(=O)CC1CCCCN1C MCULE-7888596089 [0,1,0,0,1,0|2,0,0]=4 1799 B11R1.86 CC(=O)CN1CCCCC1C MCULE-6918556290 [0,1,0,0,1,0|2,0,0]=4 1800 B11R1.86 CC(=O)C[C@H]1CCCCN1C MCULE-2452733660 [0,1,0,0,1,0|2,0,0]=4 1801 B11R1.86 CC(=O)NC1CCCCC1Br MCULE-4216605693 [0,1,0,0,1,0|2,0,0]=4 1802 B11R1.86 CC(=O)NC1CCCCC1Cl MCULE-7255544865 [0,1,0,0,1,0|2,0,0]=4 1803 B11R1.86 CC(=O)NC1CCCCC1N MCULE-7889648713 [0,1,0,0,1,0|2,0,0]=4 1804 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1Cl MCULE-5801087784 [0,1,0,0,1,0|2,0,0]=4 1805 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1N MCULE-8588938231 [0,1,0,0,1,0|2,0,0]=4 1806 B11R1.86 CC(=O)N[C@H]1CCCC[C@H]1Cl MCULE-8672156380 [0,1,0,0,1,0|2,0,0]=4 1807 B11R1.86 CC(=O)OC1CCCCC1C MCULE-6335382849 [0,1,0,0,1,0|2,0,0]=4 1808 B11R1.86 CC1CCCCC1CC(=O)N MCULE-3919731608 [0,1,0,0,1,0|1,0,0]=3 1809 B11R1.86 CC1CCCCC1CC(=O)O MCULE-8512937446 [0,1,0,0,1,0|0,0,0]=2 1810 B11R1.86 CC1CCCCC1NC(=O)N MCULE-8304088077 [0,1,0,0,1,0|2,0,0]=4 1811 B11R1.86 CC1CCCCN1CC(=O)N MCULE-2830131206 [0,1,0,0,1,0|2,0,0]=4 1812 B11R1.86 CC1CCCCN1CC(=O)O MCULE-6978091572 [0,1,0,0,1,0|1,0,0]=3 1813 B11R1.86 CC1CCCCN1CC(=O)O MCULE-8958981548 [0,1,0,0,1,0|1,0,0]=3 1814 B11R1.86 CC1CCNCC1CC(=O)O MCULE-2573262395 [0,1,0,0,1,0|1,0,0]=3 1815 B11R1.86 CC1CCNCC1CC(=O)O MCULE-6926994477 [0,1,0,0,1,0|1,0,0]=3 1816 B11R1.86 CC1CNCCC1CC(=O)O MCULE-7212738787 [0,1,0,0,1,0|1,0,0]=3 1817 B11R1.86 CC1CNCCN1CC(=O)O MCULE-5720133491 [0,1,0,0,1,0|2,0,0]=4 1818 B11R1.86 CC1CNCCN1CC(=O)O MCULE-8861054343 [0,1,0,0,1,0|2,0,0]=4 1819 B11R1.86 CN1CCCCC1CC(=O)O MCULE-3316980419 [0,1,0,0,1,0|1,0,0]=3 1820 B11R1.86 CN1CCCCC1CC(=O)O MCULE-8860551772 [0,1,0,0,1,0|1,0,0]=3 1821 B11R1.86 C[C@H]1CNCCN1CC(=O)O MCULE-1627398404 [0,1,0,0,1,0|2,0,0]=4 1822 B11R1.86 C[C@H]1CNCCN1CC(=O)O MCULE-6677242580 [0,1,0,0,1,0|2,0,0]=4 1823 B11R1.86 NC(=O)CC1CCCCC1=O MCULE-3971347881 [0,1,0,0,1,0|1,0,1]=4 1824 B11R1.86 NC1CCOCC1CC(=O)O MCULE-4690300395 [0,1,0,0,1,0|1,0,0]=3 1825 B11R1.86 O=C(Cl)CC1CCCCC1=O MCULE-8631703568 [0,1,0,0,1,0|1,0,1]=4 1826 B11R1.86 O=C(Cl)OC1CCCCC1Cl MCULE-2250699778 [0,1,0,0,1,0|2,0,0]=4 1827 B11R1.86 O=C(Cl)O[C@@H]1CCCC[C@H]1F MCULE-4678998797 [0,1,0,0,1,0|2,0,0]=4 1828 B11R1.86 O=C(O)CC1CCCCC1=O MCULE-2872066455 [0,1,0,0,1,0|0,0,1]=3 1829 B11R1.86 O=C(O)CN1CCCCC1=O MCULE-6673893259 [0,1,0,0,1,0|1,0,1]=4 1830 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O MCULE-4350134748 [0,1,0,0,1,0|0,0,0]=2 1831 B11R1.86 O=C(O)C[C@H]1CCCC[C@@H]1O MCULE-6436496571 [0,1,0,0,1,0|0,0,0]=2 1832 B11R1.157 CC(=O)CN1CCCC(C1)C MCULE-9981826384 [0,1,0,0,1,0|2,0,0]=4 1833 B11R1.157 CC1CCCC(C1)CC(=O)O MCULE-8177394227 [0,1,0,0,1,0|0,0,0]=2 1834 B11R1.157 CC1CCCN(C1)CC(=O)O MCULE-6740436113 [0,1,0,0,1,0|1,0,0]=3 1835 B11R1.157 CC1CCCN(C1)CC(=O)O MCULE-8756904184 [0,1,0,0,1,0|1,0,0]=3 1836 B11R1.157 CC1CCNC(C1)CC(=O)O MCULE-5716034877 [0,1,0,0,1,0|1,0,0]=3 1837 B11R1.157 CC1CNCC(C1)CC(=O)O MCULE-1750389348 [0,1,0,0,1,0|1,0,0]=3 1838 B11R1.157 CC1CNCC(C1)CC(=O)O MCULE-3483420567 [0,1,0,0,1,0|1,0,0]=3 1839 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-3307095078 [0,1,0,0,1,0|1,0,0]=3 1840 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-6317011723 [0,1,0,0,1,0|1,0,0]=3 1841 B11R1.157 NC(=O)CN1CCCC(C1)N MCULE-2173547742 [0,1,0,0,1,0|2,0,0]=4 1842 B11R1.157 NC(=O)CN1CCCC(C1)N MCULE-3386931476 [0,1,0,0,1,0|2,0,0]=4 1843 B11R1.157 NC1CCOC(C1)CC(=O)O MCULE-1365112311 [0,1,0,0,1,0|1,0,0]=3 1844 B11R1.157 NC1CCOC(C1)CC(=O)O MCULE-9509541900 [0,1,0,0,1,0|1,0,0]=3 1845 B11R1.157 O=C(O)CC1CCCC(=O)C1 MCULE-2070450942 [0,1,0,0,1,0|0,0,1]=3 1846 B11R1.157 O=C(O)CC1CCCC(=O)N1 MCULE-7470301343 [0,1,0,0,1,0|1,0,1]=4 1847 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-3498688720 [0,1,0,0,1,0|1,0,1]=4 1848 B11R1.157 O=C(O)CC1CCNC(=O)C1 MCULE-8598228573 [0,1,0,0,1,0|1,0,1]=4 1849 B11R1.157 O=C(O)CN1CCCC(C1)Br MCULE-2565385665 [0,1,0,0,1,0|1,0,0]=3 1850 B11R1.157 O=C(O)CN1CCCC(C1)Cl MCULE-9457969876 [0,1,0,0,1,0|1,0,0]=3 1851 B11R1.157 O=C(O)CN1CCCC(C1)I MCULE-1878633684 [0,1,0,0,1,0|1,0,0]=3 1852 B11R1.157 O=C(O)CN1CCCC(C1)O MCULE-4186047458 [0,1,0,0,1,0|1,0,0]=3 1853 B11R1.157 O=C(O)CN1CCC[C@@H](C1)O MCULE-3402932405 [0,1,0,0,1,0|1,0,0]=3 1854 B11R1.157 O=C(O)CN1CCC[C@H](C1)O MCULE-4870964189 [0,1,0,0,1,0|1,0,0]=3 1855 B11R1.509 CP(=O)(O)CN1CCCCC1 MCULE-4560988571 [0,1,0,0,1,0|2,0,0]=4 1856 B11R1.509 NS(=O)(=O)CC1CCCCC1 MCULE-7598139618 [0,1,0,0,1,0|1,0,1]=4 1857 B11R1.509 O=S(=O)(Cl)CC1CCCCC1 MCULE-5061018816 [0,1,0,0,1,0|1,0,1]=4 1858 B11R1.509 O=S(=O)(F)CC1CCCCC1 MCULE-9012412723 [0,1,0,0,1,0|1,0,1]=4 1859 B11R1.509 O=S(=O)(O)CC1CCCCC1 MCULE-4699317759 [0,1,0,0,1,0|1,0,0]=3 1860 B11R1.509 O=S(=O)(O)CC1CCCNC1 MCULE-7277510962 [0,1,0,0,1,0|2,0,0]=4 1861 B11R1.509 O=S(=O)(O)NC1CCCCC1 MCULE-4630986316 [0,1,0,0,1,0|2,0,0]=4 1862 B11R1.509 O=S(=S)(O)NC1CCCCC1 MCULE-4425873836 [0,1,0,0,1,0|2,0,0]=4 1863 B11R1.509 O=S(=S)(O)NC1CCCCC1 MCULE-8464271623 [0,1,0,0,1,0|2,0,0]=4 1864 B11R1.928 CC(=O)NC1(CCCCC1)C MCULE-7381251920 [0,1,0,0,1,0|2,0,0]=4 1865 B11R1.928 CC1(CCCCC1)CC(=O)O MCULE-7882506747 [0,1,0,0,1,0|0,0,0]=2 1866 B11R1.928 CC1(CCNCC1)CC(=O)O MCULE-5814680905 [0,1,0,0,1,0|1,0,0]=3 1867 B11R1.928 CC1(CCNCC1)CC(=O)O MCULE-6867782906 [0,1,0,0,1,0|1,0,0]=3 1868 B11R1.928 CC1(CCOCC1)CC(=O)O MCULE-4326857569 [0,1,0,0,1,0|1,0,0]=3 1869 B11R1.928 NC(=O)CC1(CCCCC1)N MCULE-4039201792 [0,1,0,0,1,0|1,0,0]=3 1870 B11R1.928 NC(=O)CC1(CCCCC1)N MCULE-4397477502 [0,1,0,0,1,0|1,0,0]=3 1871 B11R1.928 NC(=O)CC1(CCOCC1)O MCULE-2274031774 [0,1,0,0,1,0|2,0,0]=4 1872 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-1663310557 [0,1,0,0,1,0|0,0,0]=2 1873 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-2879076377 [0,1,0,0,1,0|0,0,0]=2 1874 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-5652559264 [0,1,0,0,1,0|1,0,0]=3 1875 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-6139247914 [0,1,0,0,1,0|1,0,0]=3 1876 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-1850281708 [0,1,0,0,1,0|1,0,0]=3 1877 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-2706982629 [0,1,0,0,1,0|1,0,0]=3 1878 B11R1.928 NC1(CCSCC1)CC(=O)O MCULE-9758860021 [0,1,0,0,1,0|1,0,0]=3 1879 B11R1.928 O=C(O)CC1(CCCCC1)O MCULE-3422507323 [0,1,0,0,1,0|0,0,0]=2 1880 B11R1.928 O=C(O)CC1(CCCOC1)O MCULE-4776333020 [0,1,0,0,1,0|1,0,0]=3 1881 B11R1.928 O=C(O)CC1(CCNCC1)O MCULE-2683625220 [0,1,0,0,1,0|1,0,0]=3 1882 B11R1.928 O=C(O)CC1(CCNCC1)O MCULE-8049713319 [0,1,0,0,1,0|1,0,0]=3 1883 B11R1.928 O=C(O)CC1(CCOCC1)O MCULE-8349755612 [0,1,0,0,1,0|1,0,0]=3 1884 B11R1.928 O=N(=O)CC1(CCCCC1)O MCULE-5459511238 [0,1,0,0,1,0|1,0,1]=4 1885 B11R1.25 CNC(=O)CCC1CCCC1 MCULE-3928070553 [0,1,0,0,1,0|1,0,0]=3 1886 B11R1.25 COC(=O)/C=C/C1CCCC1 MCULE-1352596380 [0,1,0,0,1,0|0,0,2]=4 1887 B11R1.25 COC(=O)C=CC1CCCC1 MCULE-8918279747 [0,1,0,0,1,0|0,0,2]=4 1888 B11R1.25 COC(=O)CCC1CCCC1 MCULE-5184172905 [0,1,0,0,1,0|0,0,0]=2 1889 B11R1.25 COC(=O)CCC1CCCO1 MCULE-6365564482 [0,1,0,0,1,0|1,0,0]=3 1890 B11R1.25 COC(=O)CCC1CCNC1 MCULE-2733017217 [0,1,0,0,1,0|1,0,0]=3 1891 B11R1.25 COC(=O)CCC1CCNC1 MCULE-4098395130 [0,1,0,0,1,0|1,0,0]=3 1892 B11R1.25 COC(=O)CCN1CCCC1 MCULE-9621646936 [0,1,0,0,1,0|1,0,0]=3 1893 B11R1.25 COC(=O)CNC1CCCC1 MCULE-1776376918 [0,1,0,0,1,0|1,0,0]=3 1894 B11R1.25 COC(=O)CNC1CCCC1 MCULE-2460300969 [0,1,0,0,1,0|1,0,0]=3 1895 B11R1.25 COC(=O)COC1CCNC1 MCULE-6308232149 [0,1,0,0,1,0|2,0,0]=4 1896 B11R1.25 COC(=O)COC1CCNC1 MCULE-7999300938 [0,1,0,0,1,0|2,0,0]=4 1897 B11R1.25 COC(=O)CO[C@@H]1CCNC1 MCULE-6381563905 [0,1,0,0,1,0|2,0,0]=4 1898 B11R1.25 COC(=O)CO[C@@H]1CCNC1 MCULE-7351317623 [0,1,0,0,1,0|2,0,0]=4 1899 B11R1.25 COC(=O)CO[C@@H]1CCNC1 MCULE-7630320653 [0,1,0,0,1,0|2,0,0]=4 1900 B11R1.25 COC(=O)CO[C@@H]1CCNC1 MCULE-9165010504 [0,1,0,0,1,0|2,0,0]=4 1901 B11R1.25 COC(=O)CO[C@H]1CCNC1 MCULE-4782133215 [0,1,0,0,1,0|2,0,0]=4 1902 B11R1.25 COC(=O)CO[C@H]1CCNC1 MCULE-4960889264 [0,1,0,0,1,0|2,0,0]=4 1903 B11R1.25 NNC(=O)CCC1CCCC1 MCULE-9511177528 [0,1,0,0,1,0|1,0,0]=3 1904 B11R1.25 NNC(=O)CCN1CCCC1 MCULE-4430380729 [0,1,0,0,1,0|2,0,0]=4 1905 B11R1.25 NNC(=O)COC1CCCC1 MCULE-6887491900 [0,1,0,0,1,0|2,0,0]=4 1906 B11R1.25 O=C(CBr)CCC1CCCC1 MCULE-2322494419 [0,1,0,0,1,0|1,0,0]=3 1907 B11R1.25 O=C(CCC1CCCC1)NO MCULE-2256538871 [0,1,0,0,1,0|0,0,0]=2 1908 B11R1.25 O=C(CCl)NCC1CCCC1 MCULE-6714575450 [0,1,0,0,1,0|2,0,0]=4 1909 B11R1.35 C/C(=C\C1CCCC1)/C(=O)O MCULE-8915202396 [0,1,0,0,1,0|0,0,2]=4 1910 B11R1.35 C=C(CN1CCCC1)C(=O)O MCULE-3009941113 [0,1,0,0,1,0|1,0,1]=4 1911 B11R1.35 CC(=CC1CCCC1)C(=O)O MCULE-5246992086 [0,1,0,0,1,0|0,0,2]=4 1912 B11R1.35 CC(CC1CCCC1)C(=O)O MCULE-4740416028 [0,1,0,0,1,0|0,0,0]=2 1913 B11R1.35 CC(CC1CCCO1)C(=O)O MCULE-7589073159 [0,1,0,0,1,0|1,0,0]=3 1914 B11R1.35 CC(CN1CCCC1)C(=O)O MCULE-4567347321 [0,1,0,0,1,0|1,0,0]=3 1915 B11R1.35 CC(CN1CCCC1)C(=O)O MCULE-5119784094 [0,1,0,0,1,0|1,0,0]=3 1916 B11R1.35 CC(OC1CCCC1)C(=O)O MCULE-1939663211 [0,1,0,0,1,0|1,0,0]=3 1917 B11R1.35 CC(SC1CCCC1)C(=O)O MCULE-8601302391 [0,1,0,0,1,0|1,0,0]=3 1918 B11R1.35 C[C@H](NC1CCCC1)C(=O)O MCULE-2121383669 [0,1,0,0,1,0|1,0,0]=3 1919 B11R1.35 NC(CC1=CCCC1)C(=O)O MCULE-1666440268 [0,1,0,0,1,0|0,0,2]=4 1920 B11R1.35 NC(CC1CCCC1)C(=O)O MCULE-2541402745 [0,1,0,0,1,0|0,0,0]=2 1921 B11R1.35 NC(CC1CCCC1)C(=O)O MCULE-3851918025 [0,1,0,0,1,0|0,0,0]=2 1922 B11R1.35 NC(CC1CCCO1)C(=O)O MCULE-3710409199 [0,1,0,0,1,0|1,0,0]=3 1923 B11R1.35 NC(CC1CCNC1)C(=O)O MCULE-9242342673 [0,1,0,0,1,0|1,0,0]=3 1924 B11R1.35 NC(CC1CCOC1)C(=O)O MCULE-2796794328 [0,1,0,0,1,0|1,0,0]=3 1925 B11R1.35 NC(CC1CCOC1)C(=O)O MCULE-3511340633 [0,1,0,0,1,0|1,0,0]=3 1926 B11R1.35 N[C@@H](CC1=CCCC1)C(=O)O MCULE-1528714518 [0,1,0,0,1,0|0,0,2]=4 1927 B11R1.35 N[C@@H](CC1=CCCC1)C(=O)O MCULE-5537876142 [0,1,0,0,1,0|0,0,2]=4 1928 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O MCULE-1482788952 [0,1,0,0,1,0|0,0,0]=2 1929 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O MCULE-8118301255 [0,1,0,0,1,0|0,0,0]=2 1930 B11R1.35 N[C@@H](CC1CCNC1)C(=O)O MCULE-9017826833 [0,1,0,0,1,0|1,0,0]=3 1931 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-5950406860 [0,1,0,0,1,0|1,0,0]=3 1932 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-6688710534 [0,1,0,0,1,0|1,0,0]=3 1933 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O MCULE-7951834658 [0,1,0,0,1,0|1,0,0]=3 1934 B11R1.35 N[C@H](CC1CCCC1)C(=O)O MCULE-2021631405 [0,1,0,0,1,0|0,0,0]=2 1935 B11R1.35 N[C@H](CC1CCCC1)C(=O)O MCULE-6544324630 [0,1,0,0,1,0|0,0,0]=2 1936 B11R1.35 N[C@H](CC1CCNC1)C(=O)O MCULE-1596977678 [0,1,0,0,1,0|1,0,0]=3 1937 B11R1.35 N[C@H](CC1CCOC1)C(=O)O MCULE-1362869168 [0,1,0,0,1,0|1,0,0]=3 1938 B11R1.35 O=C(O)C(=O)NC1CCCC1 MCULE-8386452730 [0,1,0,0,1,0|1,0,1]=4 1939 B11R1.35 O=C(O)C(F)CC1CCCC1 MCULE-9273579138 [0,1,0,0,1,0|0,0,0]=2 1940 B11R1.75 CC1CCC(O1)CCC(=O)O MCULE-5394626301 [0,1,0,0,1,0|1,0,0]=3 1941 B11R1.75 CN1CCC(C1)NCC(=O)O MCULE-5621201399 [0,1,0,0,1,0|2,0,0]=4 1942 B11R1.75 CN1CCC(C1)OCC(=O)O MCULE-6445007767 [0,1,0,0,1,0|2,0,0]=4 1943 B11R1.75 CN1CC[C@@H](C1)NCC(=O)O MCULE-3615902938 [0,1,0,0,1,0|2,0,0]=4 1944 B11R1.75 CN1CC[C@@H](C1)OCC(=O)O MCULE-9875917766 [0,1,0,0,1,0|2,0,0]=4 1945 B11R1.75 CN1CC[C@H](C1)NCC(=O)O MCULE-3809139147 [0,1,0,0,1,0|2,0,0]=4 1946 B11R1.75 CN1CC[C@H](C1)OCC(=O)O MCULE-5412118578 [0,1,0,0,1,0|2,0,0]=4 1947 B11R1.75 O=C(O)CCC1CCC(=O)C1 MCULE-4974585357 [0,1,0,0,1,0|0,0,1]=3 1948 B11R1.75 O=C(O)CCC1CCC(=O)N1 MCULE-5441119091 [0,1,0,0,1,0|1,0,1]=4 1949 B11R1.75 O=C(O)CCC1CCC(=O)O1 MCULE-8294926143 [0,1,0,0,1,0|1,0,1]=4 1950 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)O1 MCULE-3037208101 [0,1,0,0,1,0|1,0,1]=4 1951 B11R1.77 CC(CC(=O)O)C1CCCO1 MCULE-2191602537 [0,1,0,0,1,0|1,0,0]=3 1952 B11R1.77 CC(CC(=O)O)N1CCCC1 MCULE-5718326648 [0,1,0,0,1,0|1,0,0]=3 1953 B11R1.77 CC(CC(=O)O)N1CCCC1 MCULE-6090399950 [0,1,0,0,1,0|1,0,0]=3 1954 B11R1.77 CN(CC(=O)O)C1CCCC1 MCULE-4278120256 [0,1,0,0,1,0|1,0,0]=3 1955 B11R1.77 CN(CC(=O)O)C1CCSC1 MCULE-1856505747 [0,1,0,0,1,0|2,0,0]=4 1956 B11R1.77 NC(CC(=O)O)C1CC=CC1 MCULE-5205140718 [0,1,0,0,1,0|0,0,2]=4 1957 B11R1.77 NC(CC(=O)O)C1CC=CC1 MCULE-5280270608 [0,1,0,0,1,0|0,0,2]=4 1958 B11R1.77 NC(CC(=O)O)C1CCCC1 MCULE-4991554039 [0,1,0,0,1,0|0,0,0]=2 1959 B11R1.77 NC(CC(=O)O)C1CCCC1 MCULE-7905241188 [0,1,0,0,1,0|0,0,0]=2 1960 B11R1.77 NC(CC(=O)O)C1CCCO1 MCULE-4387592760 [0,1,0,0,1,0|1,0,0]=3 1961 B11R1.77 NC(CC(=O)O)C1CCOC1 MCULE-1008314255 [0,1,0,0,1,0|1,0,0]=3 1962 B11R1.77 NC(CC(=O)O)C1CCOC1 MCULE-1132574665 [0,1,0,0,1,0|1,0,0]=3 1963 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 MCULE-1747031827 [0,1,0,0,1,0|0,0,0]=2 1964 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 MCULE-4983113984 [0,1,0,0,1,0|0,0,0]=2 1965 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 MCULE-5728767560 [0,1,0,0,1,0|0,0,0]=2 1966 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 MCULE-6540379516 [0,1,0,0,1,0|0,0,0]=2 1967 B11R1.77 O=C(Cl)CC(Cl)C1CCCC1 MCULE-3213108690 [0,1,0,0,1,0|1,0,0]=3 1968 B11R1.77 O=C(O)CC(O)C1CCCC1 MCULE-9385191452 [0,1,0,0,1,0|0,0,0]=2 1969 B11R1.90 CN1CCCC1CCC(=O)O MCULE-2208326711 [0,1,0,0,1,0|1,0,0]=3 1970 B11R1.90 CN1CCCC1CCC(=O)O MCULE-5781640008 [0,1,0,0,1,0|1,0,0]=3 1971 B11R1.90 O=C(O)CCC1CCOC1=O MCULE-3104209963 [0,1,0,0,1,0|1,0,1]=4 1972 B11R1.90 O=C(O)CCN1CCCC1=O MCULE-7932887984 [0,1,0,0,1,0|1,0,1]=4 1973 B11R1.510 NS(=O)(=O)CCC1CCCC1 MCULE-8015196294 [0,1,0,0,1,0|1,0,1]=4 1974 B11R1.510 O=S(=O)(Cl)CCC1CCCC1 MCULE-4172300780 [0,1,0,0,1,0|1,0,1]=4 1975 B11R1.713 CC(=O)NCC1(CCCC1)N MCULE-6384267292 [0,1,0,0,1,0|2,0,0]=4 1976 B11R1.713 CC1(CCCC1)OCC(=O)O MCULE-7843154892 [0,1,0,0,1,0|1,0,0]=3 1977 B11R1.713 CC1(OCCO1)CCC(=O)O MCULE-5002584754 [0,1,0,0,1,0|2,0,0]=4 1978 B11R1.713 NC1(CCCC1)CCC(=O)O MCULE-4664971785 [0,1,0,0,1,0|0,0,0]=2 1979 B13R1.45 CC(=O)OCC(=O)C1CCCCC1 MCULE-9154172079 [0,1,0,0,0,1|1,0,1]=4 1980 B13R1.45 CC(CCC(=O)O)N1CCCCC1 MCULE-8452909293 [0,1,0,0,0,1|1,0,0]=3 1981 B13R1.45 CC(CCC(=O)O)N1CCCCC1 MCULE-9886218531 [0,1,0,0,0,1|1,0,0]=3 1982 B13R1.45 CC(CCC(=O)O)N1CCOCC1 MCULE-4046356658 [0,1,0,0,0,1|2,0,0]=4 1983 B13R1.45 CC(CCC(=O)O)N1CCOCC1 MCULE-4890867015 [0,1,0,0,0,1|2,0,0]=4 1984 B13R1.45 CC(NCC(=O)O)C1CCCCC1 MCULE-2756589045 [0,1,0,0,0,1|0,0,0]=2 1985 B13R1.45 CC(NCC(=O)O)C1CCCCC1 MCULE-5542383016 [0,1,0,0,0,1|0,0,0]=2 1986 B13R1.45 CN(CCC(=O)N)C1CCCCC1 MCULE-7655249487 [0,1,0,0,0,1|1,0,0]=3 1987 B13R1.45 CN(CCC(=O)O)C1CCCCC1 MCULE-7260474012 [0,1,0,0,0,1|0,0,0]=2 1988 B13R1.45 CN(CCC(=O)O)C1CCCCC1 MCULE-9762479840 [0,1,0,0,0,1|0,0,0]=2 1989 B13R1.45 CN(CCC(=O)O)C1CCNCC1 MCULE-2164498182 [0,1,0,0,0,1|1,0,0]=3 1990 B13R1.45 CN(CCC(=O)O)C1CCNCC1 MCULE-3490689713 [0,1,0,0,0,1|1,0,0]=3 1991 B13R1.45 O=C(O)CCC(=O)C1CCCCC1 MCULE-1493453185 [0,1,0,0,0,1|0,0,0]=2 1992 B13R1.45 O=C(O)CCC(=O)N1CCCCC1 MCULE-1511480493 [0,1,0,0,0,1|1,0,0]=3 1993 B13R1.45 O=C(O)CCC(=O)N1CCNCC1 MCULE-4688056261 [0,1,0,0,0,1|2,0,0]=4 1994 B13R1.45 O=C(O)CCC(=O)N1CCOCC1 MCULE-3686251218 [0,1,0,0,0,1|2,0,0]=4 1995 B13R1.45 O=C(O)CNC(=O)C1CCCCC1 MCULE-3210620044 [0,1,0,0,0,1|0,0,1]=3 1996 B13R1.45 O=C(O)CNC(=O)C1CCOCC1 MCULE-9860018554 [0,1,0,0,0,1|1,0,1]=4 1997 B13R1.45 O=C(O)COC(=O)C1CCCCC1 MCULE-8130083457 [0,1,0,0,0,1|0,0,1]=3 1998 B13R1.45 O=C(O)CSC(=S)N1CCCCC1 MCULE-7751287725 [0,1,0,0,0,1|1,0,1]=4 1999 B13R1.149 CN1CCCC(C1)CNCC(=O)O MCULE-5934400408 [0,1,0,0,0,1|1,0,0]=3 2000 B13R1.149 CN1CCCC(C1)COCC(=O)O MCULE-4923092158 [0,1,0,0,0,1|1,0,0]=3 2001 B13R1.149 O=C(O)CCCC1CCCC(=O)N1 MCULE-3937421285 [0,1,0,0,0,1|1,0,1]=4 2002 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-2658022342 [0,1,0,0,0,1|1,0,0]=3 2003 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-3288150889 [0,1,0,0,0,1|1,0,0]=3 2004 B13R1.158 CN1CCCCC1CNCC(=O)O MCULE-2171668896 [0,1,0,0,0,1|1,0,0]=3 2005 B13R1.158 CN1CCCCC1COCC(=O)O MCULE-3673631668 [0,1,0,0,0,1|1,0,0]=3 2006 B13R1.158 O=C(O)CCCN1CCCCC1=O MCULE-9681527343 [0,1,0,0,0,1|1,0,1]=4 2007 B13R1.348 CC(=O)CC(=O)NC1CCCCC1 MCULE-5562184008 [0,1,0,0,0,1|1,0,1]=4 2008 B13R1.348 CC(=O)CC(=O)OC1CCCCC1 MCULE-7746018984 [0,1,0,0,0,1|1,0,1]=4 2009 B13R1.348 CC(=O)CC(C)SC1CCCCC1 MCULE-1912626160 [0,1,0,0,0,1|1,0,0]=3 2010 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 MCULE-1712654425 [0,1,0,0,0,1|0,0,0]=2 2011 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 MCULE-1997434967 [0,1,0,0,0,1|0,0,0]=2 2012 B13R1.348 O=C(O)CC(=O)OC1CCCCC1 MCULE-6255823961 [0,1,0,0,0,1|0,0,1]=3 2013 B13R1.351 CC(NCC1CCCCC1)C(=O)O MCULE-2720403381 [0,1,0,0,0,1|0,0,0]=2 2014 B13R1.351 CC(NCC1CCCCC1)C(=O)O MCULE-3259030207 [0,1,0,0,0,1|0,0,0]=2 2015 B13R1.351 CC(OCC1CCCCO1)C(=O)O MCULE-1548150869 [0,1,0,0,0,1|1,0,0]=3 2016 B13R1.351 NC(CCC1CCCCC1)C(=O)O MCULE-6773728629 [0,1,0,0,0,1|0,0,0]=2 2017 B13R1.351 NC(CCC1CCCCC1)C(=O)O MCULE-9939535450 [0,1,0,0,0,1|0,0,0]=2 2018 B13R1.351 NC(CCN1CCCCC1)C(=O)O MCULE-5079669712 [0,1,0,0,0,1|1,0,0]=3 2019 B13R1.351 NC(CCN1CCOCC1)C(=O)O MCULE-2524453520 [0,1,0,0,0,1|2,0,0]=4 2020 B13R1.351 NC(CSC1CCCCO1)C(=O)O MCULE-3395292239 [0,1,0,0,0,1|1,0,0]=3 2021 B13R1.351 N[C@@H](CCC1CCCCC1)C(=O)O MCULE-9655484954 [0,1,0,0,0,1|0,0,0]=2 2022 B13R1.351 N[C@H](CCC1CCCCC1)C(=O)O MCULE-4334214625 [0,1,0,0,0,1|0,0,0]=2 2023 B13R1.351 [NH3+][C@@H](CCC1CCCCC1)C(=O)[O-] MCULE-9072026310 [0,1,0,0,0,1|0,0,1]=3 2024 B13R1.351 [NH3+][C@H](CCC1CCCCC1)C(=O)[O-] MCULE-8474360288 [0,1,0,0,0,1|0,0,1]=3 2025 B13R1.513 CC1CCN(CC1)CCCC(=O)O MCULE-2940405828 [0,1,0,0,0,1|1,0,0]=3 2026 B13R1.513 CC1CCN(CC1)CCCC(=O)O MCULE-5196067702 [0,1,0,0,0,1|1,0,0]=3 2027 B13R1.513 CN1CCC(CC1)CCCC(=O)O MCULE-5372619731 [0,1,0,0,0,1|1,0,0]=3 2028 B13R1.513 CN1CCC(CC1)CNCC(=O)O MCULE-1843634975 [0,1,0,0,0,1|1,0,0]=3 2029 B13R1.513 CN1CCC(CC1)COCC(=O)O MCULE-8109917718 [0,1,0,0,0,1|1,0,0]=3 2030 B13R1.513 CN1CCC(CC1)NCCC(=O)O MCULE-1439907423 [0,1,0,0,0,1|1,0,0]=3 2031 B13R1.513 CN1CCC(CC1)NCCC(=O)O MCULE-3718829301 [0,1,0,0,0,1|1,0,0]=3 2032 B13R1.513 CN1CCN(CC1)CCCC(=O)O MCULE-3936319399 [0,1,0,0,0,1|2,0,0]=4 2033 B13R1.513 CN1CCN(CC1)CCCC(=O)O MCULE-8693062436 [0,1,0,0,0,1|2,0,0]=4 2034 B13R1.513 NC1CCN(CC1)CCCC(=O)O MCULE-1372379400 [0,1,0,0,0,1|1,0,0]=3 2035 B13R1.513 NC1CCN(CC1)CCCC(=O)O MCULE-2641271687 [0,1,0,0,0,1|1,0,0]=3 2036 B13R1.513 O=C(O)CCCN1CCS(=O)CC1 MCULE-8526297661 [0,1,0,0,0,1|2,0,0]=4 2037 B13R1.718 C=CC(=O)NCCN1CCCCC1 MCULE-8066964255 [0,1,0,0,0,1|2,0,0]=4 2038 B13R1.718 CCC(=O)NCCN1CCCCC1 MCULE-8643520756 [0,1,0,0,0,1|2,0,0]=4 2039 B13R1.718 CCC(=O)OCCC1CCCCN1 MCULE-6945783306 [0,1,0,0,0,1|2,0,0]=4 2040 B13R1.718 CCC(=O)OCCC1CCCCN1 MCULE-7199789721 [0,1,0,0,0,1|2,0,0]=4 2041 B13R1.718 CCC(=O)OCCC1CCCNC1 MCULE-3396732389 [0,1,0,0,0,1|2,0,0]=4 2042 B13R1.718 CCC(=O)OCCC1CCCNC1 MCULE-6398484140 [0,1,0,0,0,1|2,0,0]=4 2043 B13R1.718 CCC(=O)OCCC1CCNCC1 MCULE-3568490915 [0,1,0,0,0,1|2,0,0]=4 2044 B13R1.718 CCC(=O)OCCC1CCNCC1 MCULE-6258622429 [0,1,0,0,0,1|2,0,0]=4 2045 B13R1.718 CNC(=O)CCCC1CCNCC1 MCULE-9692635349 [0,1,0,0,0,1|2,0,0]=4 2046 B13R1.718 CNC(=O)CCNC1CCCCC1 MCULE-9756341626 [0,1,0,0,0,1|1,0,0]=3 2047 B13R1.718 CNC(=O)CNCC1CCOCC1 MCULE-4385240791 [0,1,0,0,0,1|2,0,0]=4 2048 B13R1.718 CNC(=O)NCCN1CCCCC1 MCULE-3854432351 [0,1,0,0,0,1|2,0,0]=4 2049 B13R1.718 COC(=O)CCCC1CCNCC1 MCULE-7580366096 [0,1,0,0,0,1|1,0,0]=3 2050 B13R1.718 COC(=O)CCCC1CCNCC1 MCULE-9217647970 [0,1,0,0,0,1|1,0,0]=3 2051 B13R1.718 COC(=O)CCCN1CCCCC1 MCULE-6840007912 [0,1,0,0,0,1|1,0,0]=3 2052 B13R1.718 COC(=O)CCCN1CCCCC1 MCULE-9231421014 [0,1,0,0,0,1|1,0,0]=3 2053 B13R1.718 COC(=O)CCCN1CCNCC1 MCULE-6927160903 [0,1,0,0,0,1|2,0,0]=4 2054 B13R1.718 COC(=O)CCCN1CCOCC1 MCULE-1569044371 [0,1,0,0,0,1|2,0,0]=4 2055 B13R1.718 COC(=O)CCCN1CCSCC1 MCULE-8202738986 [0,1,0,0,0,1|2,0,0]=4 2056 B13R1.718 COC(=O)CCNC1CCCCC1 MCULE-2199390487 [0,1,0,0,0,1|0,0,0]=2 2057 B13R1.718 COC(=O)CCNC1CCOCC1 MCULE-4160290559 [0,1,0,0,0,1|1,0,0]=3 2058 B13R1.718 COC(=O)CCOC1CCCCO1 MCULE-9346048746 [0,1,0,0,0,1|1,0,0]=3 2059 B13R1.718 COC(=O)CCOC1CCCNC1 MCULE-2837273563 [0,1,0,0,0,1|1,0,0]=3 2060 B13R1.718 COC(=O)CCOC1CCCNC1 MCULE-8847881863 [0,1,0,0,0,1|1,0,0]=3 2061 B13R1.718 COC(=O)CCOC1CCNCC1 MCULE-5235263362 [0,1,0,0,0,1|1,0,0]=3 2062 B13R1.718 COC(=O)CCOC1CCNCC1 MCULE-7461665740 [0,1,0,0,0,1|1,0,0]=3 2063 B13R1.718 COC(=O)NCCC1=CCCCC1 MCULE-3577230770 [0,1,0,0,0,1|0,0,2]=4 2064 B13R1.718 COC(=O)NCCC1CCCCN1 MCULE-8941703851 [0,1,0,0,0,1|1,0,0]=3 2065 B13R1.718 N/C(=N\O)/CCCN1CCCCC1 MCULE-3963320917 [0,1,0,0,0,1|2,0,0]=4 2066 B13R1.718 NCC(=O)NCCN1CCCCC1 MCULE-6996661978 [0,1,0,0,0,1|2,0,0]=4 2067 B13R1.718 NCC(=O)NCCN1CCCCC1 MCULE-8457063173 [0,1,0,0,0,1|2,0,0]=4 2068 B13R1.718 NNC(=O)CCNC1CCCCC1 MCULE-6999872392 [0,1,0,0,0,1|1,0,0]=3 2069 B13R1.718 O=C(CCl)NCCC1CCCCC1 MCULE-5494147009 [0,1,0,0,0,1|1,0,0]=3 2070 B13R1.718 O=C(CCl)NCCC1CCOCC1 MCULE-6963055659 [0,1,0,0,0,1|2,0,0]=4 2071 B13R1.718 O=C(CCl)OCCC1CCCCN1 MCULE-2701536926 [0,1,0,0,0,1|2,0,0]=4 2072 B13R1.718 O=C(CCl)OCCC1CCCCN1 MCULE-3951108398 [0,1,0,0,0,1|2,0,0]=4 2073 B13R1.718 O=C(CCl)OCCC1CCCNC1 MCULE-8757340920 [0,1,0,0,0,1|2,0,0]=4 2074 B13R1.718 O=C(CCl)OCCC1CCCNC1 MCULE-9668445163 [0,1,0,0,0,1|2,0,0]=4 2075 B13R1.718 O=C(CCl)OCCC1CCNCC1 MCULE-4902709576 [0,1,0,0,0,1|2,0,0]=4 2076 B13R1.718 O=C(CCl)OCCC1CCNCC1 MCULE-9927656223 [0,1,0,0,0,1|2,0,0]=4 2077 B13R1.3523 NS(=O)(=O)CCCC1CCCCC1 MCULE-7609013844 [0,1,0,0,0,1|1,0,1]=4 2078 B13R1.3523 O=S(=O)(Cl)CCCC1CCCCC1 MCULE-6744397786 [0,1,0,0,0,1|1,0,1]=4 2079 B13R1.3523 O=S(=O)(O)CCCN1CCCCC1 MCULE-9326335759 [0,1,0,0,0,1|2,0,0]=4 2080 B13R1.3523 O=S(=O)(O)CCNC1CCCCC1 MCULE-1130417163 [0,1,0,0,0,1|1,0,0]=3 2081 B13R1.5134 CC(=O)SCC[N+]1(CCCCC1)C MCULE-2137507317 [0,1,0,0,0,1|2,0,0]=4 2082 B13R1.5134 CC(=O)SCC[N+]1(CCCCC1)C MCULE-6665969495 [0,1,0,0,0,1|2,0,0]=4 2083 B13R1.280 O=C(O)CCN1CCCCCC1=O MCULE-5062326708 [0,1,0,0,0,1|1,0,0]=3 2084 B13R1.1711 COC(=O)CCN1CCCCCC1 MCULE-1344291062 [0,1,0,0,0,1|1,0,0]=3 2085 B13R1.1711 COC(=O)CCN1CCCCCC1 MCULE-4180090952 [0,1,0,0,0,1|1,0,0]=3 2086 B13R1.1711 COC(=O)CNC1=NCCCCC1 MCULE-8999789931 [0,1,0,0,0,1|1,0,1]=4 2087 B13R1.1711 COC(=O)CNC1=NCCCCC1 MCULE-9756239163 [0,1,0,0,0,1|1,0,1]=4 2088 B13R1.1711 N/C(=N/O)/CCN1CCCCCC1 MCULE-9472504349 [0,1,0,0,0,1|2,0,0]=4 2089 B13R1.1711 N=C(CCN1CCCCCC1)NO MCULE-9699269373 [0,1,0,0,0,1|2,0,0]=4 2090 B13R1.1711 NNC(=O)CCN1CCCCCC1 MCULE-6290889397 [0,1,0,0,0,1|2,0,0]=4 2091 B13R1.3796 CN1CCCN(CC1)CCC(=O)O MCULE-6057121439 [0,1,0,0,0,1|1,0,0]=3 2092 B13R1.6192 CC(CC1CCCCCC1)C(=O)O MCULE-1246118295 [0,1,0,0,0,1|0,0,0]=2 2093 B13R1.6192 CC(CN1CCCCCC1)C(=O)O MCULE-3834677932 [0,1,0,0,0,1|1,0,0]=3 2094 B13R1.6192 CC(CN1CCCCCC1)C(=O)O MCULE-4875026121 [0,1,0,0,0,1|1,0,0]=3 2095 B13R1.6192 CC(OC1CCCCCC1)C(=O)O MCULE-5522776987 [0,1,0,0,0,1|1,0,0]=3 2096 B13R1.6192 NC(CC1CCCCCC1)C(=O)O MCULE-4714040866 [0,1,0,0,0,1|0,0,0]=2 2097 B13R1.6192 NC(CC1CCCCCC1)C(=O)O MCULE-7833248184 [0,1,0,0,0,1|0,0,0]=2 2098 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O MCULE-5047268774 [0,1,0,0,0,1|0,0,0]=2 2099 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O MCULE-5328740745 [0,1,0,0,0,1|0,0,0]=2 2100 B13R1.6192 O=C(O)C(=O)NC1CCCCCC1 MCULE-6082382741 [0,1,0,0,0,1|1,0,1]=4 2101 B13R1.7456 CC(CC(=O)O)N1CCCCCC1 MCULE-5038914756 [0,1,0,0,0,1|1,0,0]=3 2102 B13R1.7456 CC(CC(=O)O)N1CCCCCC1 MCULE-7916192547 [0,1,0,0,0,1|1,0,0]=3 2103 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 MCULE-3511349491 [0,1,0,0,0,1|0,0,0]=2 2104 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 MCULE-5875335902 [0,1,0,0,0,1|0,0,0]=2 2105 B13R1.3 CC(=O)OCC1CCC(CC1)C=O MCULE-4536773241 [0,2,0,0,0,0|2,0,0]=4 2106 B13R1.3 CC(=O)OCC1CCC(CC1)CO MCULE-5663745956 [0,2,0,0,0,0|2,0,0]=4 2107 B13R1.3 CCN1CCC(CC1)CCC(=O)O MCULE-1429498726 [0,2,0,0,0,0|1,0,0]=3 2108 B13R1.3 CCN1CCC(CC1)CCC(=O)O MCULE-1745072792 [0,2,0,0,0,0|1,0,0]=3 2109 B13R1.3 CCN1CCN(CC1)CCC(=O)O MCULE-5627485441 [0,2,0,0,0,0|2,0,0]=4 2110 B13R1.3 CCN1CCN(CC1)CCC(=O)O MCULE-8451472202 [0,2,0,0,0,0|2,0,0]=4 2111 B13R1.3 CC[C@H]1CC[C@@H](CC1)CCC(=O)O MCULE-3076084753 [0,2,0,0,0,0|0,0,0]=2 2112 B13R1.3 COC1CCC(CC1)NCC(=O)O MCULE-5055369526 [0,2,0,0,0,0|1,0,0]=3 2113 B13R1.3 COC1CCN(CC1)CCC(=O)O MCULE-4738480668 [0,2,0,0,0,0|1,0,0]=3 2114 B13R1.14 CC1CCN(CC1)CCC(=O)NN MCULE-1971159915 [0,2,0,0,0,0|2,0,0]=4 2115 B13R1.14 CCC(=O)NC[C@H]1CC[C@@H](CC1)N MCULE-1449106094 [0,2,0,0,0,0|2,0,0]=4 2116 B13R1.14 CCC(=O)NC[C@H]1CC[C@@H](CC1)N MCULE-8037568157 [0,2,0,0,0,0|2,0,0]=4 2117 B13R1.14 CNC(=O)CCN1CCC(CC1)C MCULE-1801586397 [0,2,0,0,0,0|2,0,0]=4 2118 B13R1.14 CNC(=O)CCN1CCC(CC1)C MCULE-4144906797 [0,2,0,0,0,0|2,0,0]=4 2119 B13R1.14 COC(=O)CCN1CCC(=O)CC1 MCULE-3499160246 [0,2,0,0,0,0|1,0,1]=4 2120 B13R1.14 COC(=O)CCN1CCC(CC1)C MCULE-2757305188 [0,2,0,0,0,0|1,0,0]=3 2121 B13R1.14 COC(=O)CCN1CCN(CC1)C MCULE-1076891970 [0,2,0,0,0,0|2,0,0]=4 2122 B13R1.14 COC(=O)CO[C@H]1CC[C@@H](CC1)N MCULE-9985979018 [0,2,0,0,0,0|1,0,0]=3 2123 B13R1.132 CC(CC(=O)O)N1CCN(CC1)C MCULE-4907285830 [0,2,0,0,0,0|2,0,0]=4 2124 B13R1.132 CC1CCN(CC1)C(C)CC(=O)O MCULE-1686770406 [0,2,0,0,0,0|1,0,0]=3 2125 B13R1.132 CN1CCC(CC1)N(C)CC(=O)O MCULE-2511146907 [0,2,0,0,0,0|2,0,0]=4 2126 B13R1.133 CC(=CC1CCC(CC1)C)C(=O)O MCULE-8524946986 [0,2,0,0,0,0|0,0,2]=4 2127 B13R1.133 CC(CN1CCN(CC1)C)C(=O)O MCULE-5451586830 [0,2,0,0,0,0|2,0,0]=4 2128 B13R1.133 CC1CCC(CC1)OC(C)C(=O)O MCULE-2286067381 [0,2,0,0,0,0|1,0,0]=3 2129 B13R1.133 CC1CCN(CC1)CC(C)C(=O)O MCULE-1042735017 [0,2,0,0,0,0|1,0,0]=3 2130 B13R1.133 CN1CCC(CC1)CC(N)C(=O)O MCULE-6233494177 [0,2,0,0,0,0|1,0,0]=3 2131 B13R1.133 N[C@H](CC1CCC(CC1)O)C(=O)O MCULE-1941355829 [0,2,0,0,0,0|0,0,0]=2 2132 B13R1.164 CC(=O)OCC1CCC(CC1C)C MCULE-2038619254 [0,2,0,0,0,0|2,0,0]=4 2133 B13R1.341 CC1(CCN(CC1)CCC(=O)O)C MCULE-4143021887 [0,2,0,0,0,0|1,0,0]=3 2134 B13R1.341 CC1(CCN(CC1)CCC(=O)O)C MCULE-9377308541 [0,2,0,0,0,0|1,0,0]=3 2135 B13R1.341 O=C(O)CCC1CCC(CC1)(F)F MCULE-2015120876 [0,2,0,0,0,0|0,0,0]=2 2136 B13R1.341 O=C(O)CCN1CCS(=O)(=O)CC1 MCULE-6388923325 [0,2,0,0,0,0|2,0,0]=4 2137 B13R1.341 O=C(O)CCN1CCS(=O)(=O)CC1 MCULE-7341398099 [0,2,0,0,0,0|2,0,0]=4 2138 B13R1.11 CCC(=O)CC(=O)C1CCCCC1 MCULE-3581531484 [0,2,0,0,0,0|1,0,1]=4 2139 B13R1.11 COC(=O)CC(=O)C1CCCCC1 MCULE-3017627155 [0,2,0,0,0,0|0,0,1]=3 2140 B13R1.11 COC(=O)CC(C)C1COCCO1 MCULE-4540691706 [0,2,0,0,0,0|2,0,0]=4 2141 B13R1.11 COC(=O)CC(C)N1CCCCC1 MCULE-3545538620 [0,2,0,0,0,0|1,0,0]=3 2142 B13R1.11 COC(=O)CC(C)N1CCNCC1 MCULE-4674300699 [0,2,0,0,0,0|2,0,0]=4 2143 B13R1.11 COC(=O)CC(N)C1CCCCC1 MCULE-1800765089 [0,2,0,0,0,0|0,0,0]=2 2144 B13R1.11 COC(=O)CC(N)C1CCCCC1 MCULE-2309042924 [0,2,0,0,0,0|0,0,0]=2 2145 B13R1.11 COC(=O)CN(C)C1CCCCC1 MCULE-4829095543 [0,2,0,0,0,0|1,0,0]=3 2146 B13R1.15 COC(=O)CCN1CCNC(C1)C MCULE-2880176332 [0,2,0,0,0,0|2,0,0]=4 2147 B13R1.15 COC(=O)COC1CCCN(C1)C MCULE-2996532128 [0,2,0,0,0,0|2,0,0]=4 2148 B13R1.42 CC#CC(=O)NCC1CCCCC1 MCULE-6440377608 [0,2,0,0,0,0|2,0,0]=4 2149 B13R1.42 CCNC(=O)CCN1CCCCC1 MCULE-3745615462 [0,2,0,0,0,0|2,0,0]=4 2150 B13R1.42 CCNC(=O)CCN1CCCCC1 MCULE-8319367404 [0,2,0,0,0,0|2,0,0]=4 2151 B13R1.42 CCNC(=O)NCC1CCCCC1 MCULE-5330677370 [0,2,0,0,0,0|2,0,0]=4 2152 B13R1.42 CCOC(=O)/C=C/C1CCCCC1 MCULE-1457900968 [0,2,0,0,0,0|0,0,2]=4 2153 B13R1.42 CCOC(=O)C=CC1CCCCC1 MCULE-5687333040 [0,2,0,0,0,0|0,0,2]=4 2154 B13R1.42 CCOC(=O)CCC1CCCCC1 MCULE-3795646947 [0,2,0,0,0,0|0,0,0]=2 2155 B13R1.42 CCOC(=O)CCC1CCCCN1 MCULE-8312422994 [0,2,0,0,0,0|1,0,0]=3 2156 B13R1.42 CCOC(=O)CCC1CCCCN1 MCULE-9450759265 [0,2,0,0,0,0|1,0,0]=3 2157 B13R1.42 CCOC(=O)CCC1CCCNC1 MCULE-1637411753 [0,2,0,0,0,0|1,0,0]=3 2158 B13R1.42 CCOC(=O)CCC1CCCNC1 MCULE-8761619525 [0,2,0,0,0,0|1,0,0]=3 2159 B13R1.42 CCOC(=O)CCC1CCNCC1 MCULE-6427583290 [0,2,0,0,0,0|1,0,0]=3 2160 B13R1.42 CCOC(=O)CCC1CCNCC1 MCULE-9125092654 [0,2,0,0,0,0|1,0,0]=3 2161 B13R1.42 CCOC(=O)CCC1CCOCC1 MCULE-5773636038 [0,2,0,0,0,0|1,0,0]=3 2162 B13R1.42 CCOC(=O)CCC1COCCN1 MCULE-4697835214 [0,2,0,0,0,0|2,0,0]=4 2163 B13R1.42 CCOC(=O)CCC1OCCCO1 MCULE-8117295121 [0,2,0,0,0,0|2,0,0]=4 2164 B13R1.42 CCOC(=O)CCN1CCCCC1 MCULE-1605821182 [0,2,0,0,0,0|1,0,0]=3 2165 B13R1.42 CCOC(=O)CCN1CCNCC1 MCULE-8095645723 [0,2,0,0,0,0|2,0,0]=4 2166 B13R1.42 CCOC(=O)CCN1CCNCC1 MCULE-9650581085 [0,2,0,0,0,0|2,0,0]=4 2167 B13R1.42 CCOC(=O)CCN1CCOCC1 MCULE-1947254518 [0,2,0,0,0,0|2,0,0]=4 2168 B13R1.42 CCOC(=O)CNC1CCCCC1 MCULE-1722006916 [0,2,0,0,0,0|1,0,0]=3 2169 B13R1.42 CCOC(=O)CNC1CCCCC1 MCULE-4764520099 [0,2,0,0,0,0|1,0,0]=3 2170 B13R1.42 CCOC(=O)COC1CCCCO1 MCULE-4958737382 [0,2,0,0,0,0|2,0,0]=4 2171 B13R1.42 CCOC(=O)COC1CCNCC1 MCULE-2621367837 [0,2,0,0,0,0|2,0,0]=4 2172 B13R1.42 CCOC(=O)COC1CCNCC1 MCULE-6082423574 [0,2,0,0,0,0|2,0,0]=4 2173 B13R1.42 COCC(=O)OCC1CCCNC1 MCULE-8329667950 [0,2,0,0,0,0|2,0,0]=4 2174 B13R1.42 COCC(=O)OCC1CCCNC1 MCULE-8775075323 [0,2,0,0,0,0|2,0,0]=4 2175 B13R1.42 COCC(=O)OCC1CCNCC1 MCULE-6867759557 [0,2,0,0,0,0|2,0,0]=4 2176 B13R1.42 COCC(=O)OCC1CCNCC1 MCULE-9317384746 [0,2,0,0,0,0|2,0,0]=4 2177 B13R1.42 NOCC(=O)NCC1CCCCC1 MCULE-8453630737 [0,2,0,0,0,0|1,0,0]=3 2178 B13R1.42 O=C(C=NO)NCC1CCNCC1 MCULE-3744260332 [0,2,0,0,0,0|2,0,0]=4 2179 B13R1.135 CC(CN1CCCCC1)C(=O)NN MCULE-1014898784 [0,2,0,0,0,0|2,0,0]=4 2180 B13R1.135 CN(CC1CCCCC1)C(=O)CCl MCULE-3443820113 [0,2,0,0,0,0|2,0,0]=4 2181 B13R1.135 CNC(=O)C(N)CC1CCCCC1 MCULE-1015191603 [0,2,0,0,0,0|1,0,0]=3 2182 B13R1.135 CNC(=O)[C@@H](N)CC1CCCCC1 MCULE-9384093250 [0,2,0,0,0,0|1,0,0]=3 2183 B13R1.135 COC(=O)C(C)CC1CCCNC1 MCULE-6274443137 [0,2,0,0,0,0|1,0,0]=3 2184 B13R1.135 COC(=O)C(C)CC1CCOCC1 MCULE-2510030716 [0,2,0,0,0,0|1,0,0]=3 2185 B13R1.135 COC(=O)C(C)CC1COCCO1 MCULE-3967722040 [0,2,0,0,0,0|2,0,0]=4 2186 B13R1.135 COC(=O)C(C)CN1CCCCC1 MCULE-1913814222 [0,2,0,0,0,0|1,0,0]=3 2187 B13R1.135 COC(=O)C(C)CN1CCOCC1 MCULE-3281086586 [0,2,0,0,0,0|2,0,0]=4 2188 B13R1.135 COC(=O)C(N)CC1CCCCC1 MCULE-2510942472 [0,2,0,0,0,0|0,0,0]=2 2189 B13R1.135 COC(=O)C(N)CC1CCCCC1 MCULE-4033613776 [0,2,0,0,0,0|0,0,0]=2 2190 B13R1.135 COC(=O)C(N)CC1CCCCC1 MCULE-8516612163 [0,2,0,0,0,0|0,0,0]=2 2191 B13R1.135 COC(=O)C(N)CC1CCCOC1 MCULE-6738102519 [0,2,0,0,0,0|1,0,0]=3 2192 B13R1.135 COC(=O)C(N)CC1CCCOC1 MCULE-8865715003 [0,2,0,0,0,0|1,0,0]=3 2193 B13R1.135 COC(=O)C(N)CC1CCOCC1 MCULE-5337041188 [0,2,0,0,0,0|1,0,0]=3 2194 B13R1.135 COC(=O)C(N)CC1CCOCC1 MCULE-9819422304 [0,2,0,0,0,0|1,0,0]=3 2195 B13R1.135 COC(=O)C(N)CN1CCCCC1 MCULE-3688923805 [0,2,0,0,0,0|1,0,0]=3 2196 B13R1.135 COC(=O)C(N)CN1CCCCC1 MCULE-4875514103 [0,2,0,0,0,0|1,0,0]=3 2197 B13R1.135 COC(=O)C(N)CN1CCOCC1 MCULE-2783402421 [0,2,0,0,0,0|2,0,0]=4 2198 B13R1.135 COC(=O)C(N)CN1CCOCC1 MCULE-5458536504 [0,2,0,0,0,0|2,0,0]=4 2199 B13R1.135 COC(=O)C(O)CC1CCCCC1 MCULE-5392320369 [0,2,0,0,0,0|0,0,0]=2 2200 B13R1.135 COC(=O)C([NH3+])CC1CCCCC1 MCULE-7882303427 [0,2,0,0,0,0|0,0,0]=2 2201 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-4477542346 [0,2,0,0,0,0|0,0,0]=2 2202 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-7319974393 [0,2,0,0,0,0|0,0,0]=2 2203 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-8414305169 [0,2,0,0,0,0|0,0,0]=2 2204 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-8597194587 [0,2,0,0,0,0|0,0,0]=2 2205 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-1785615651 [0,2,0,0,0,0|0,0,0]=2 2206 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-2749145426 [0,2,0,0,0,0|0,0,0]=2 2207 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-5156588254 [0,2,0,0,0,0|0,0,0]=2 2208 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-8167140931 [0,2,0,0,0,0|0,0,0]=2 2209 B13R1.135 [C@@H](C)(NC1CCCCC1)C(=O)OC MCULE-4598545139 [0,2,0,0,0,0|1,0,0]=3 2210 B13R1.135 [C@@H](C)(NC1CCCCC1)C(=O)OC MCULE-7965867722 [0,2,0,0,0,0|1,0,0]=3 2211 B13R1.528 COC(=O)CCC1CCCCC1=O MCULE-6511835645 [0,2,0,0,0,0|0,0,1]=3 2212 B13R1.528 COC(=O)CCN1CCCCC1=O MCULE-8081118290 [0,2,0,0,0,0|1,0,1]=4 2213 B13R1.528 COC(=O)CCN1CCCCC1C MCULE-8929818560 [0,2,0,0,0,0|1,0,0]=3 2214 B13R1.2045 COC(=O)C#CC1(CCCCC1)O MCULE-3051363624 [0,2,0,0,0,0|0,0,2]=4 2215 B13R1.2045 COC(=O)CCC1(CCCCC1)N MCULE-1224408794 [0,2,0,0,0,0|0,0,0]=2 2216 B13R1.2045 COC(=O)CCC1(CCCCC1)N MCULE-3418473431 [0,2,0,0,0,0|0,0,0]=2 2217 B13R1.2045 O=C(CCl)NCC1(CCCCC1)O MCULE-7956099094 [0,2,0,0,0,0|2,0,0]=4 2218 B13R1.148 CC1CCCC(C1)OC(C)C(=O)O MCULE-4198678617 [0,2,0,0,0,0|1,0,0]=3 2219 B13R1.148 CC1CCCN(C1)CC(C)C(=O)O MCULE-1899805189 [0,2,0,0,0,0|1,0,0]=3 2220 B13R1.152 CC(C(=O)O)N(C)C1CCCCC1 MCULE-1045666581 [0,2,0,0,0,0|1,0,0]=3 2221 B13R1.202 CC(CN1CCCCC1C)C(=O)O MCULE-1081042616 [0,2,0,0,0,0|1,0,0]=3 2222 B13R1.202 CC(CN1CCCCC1C)C(=O)O MCULE-6361210183 [0,2,0,0,0,0|1,0,0]=3 2223 B13R1.353 O=S(=O)(O)C(O)CC1CCCCC1 MCULE-9710704026 [0,2,0,0,0,0|1,0,0]=3 2224 B13R1.353 O=S(=O)([O-])C(O)CC1CCCCC1 MCULE-3772830396 [0,2,0,0,0,0|1,0,1]=4 2225 B13R1.418 CCC(CC1CCCCC1)C(=O)O MCULE-1014366537 [0,2,0,0,0,0|0,0,0]=2 2226 B13R1.418 CCC(CC1CCOCC1)C(=O)O MCULE-3149796913 [0,2,0,0,0,0|1,0,0]=3 2227 B13R1.418 CCC(OC1CCCCC1)C(=O)O MCULE-5506653500 [0,2,0,0,0,0|1,0,0]=3 2228 B13R1.418 COC(CN1CCNCC1)C(=O)O MCULE-4632296697 [0,2,0,0,0,0|2,0,0]=4 2229 B13R1.418 N#C/C(=C\C1CCCCC1)/C(=O)O MCULE-2795217567 [0,2,0,0,0,0|0,0,2]=4 2230 B13R1.418 N#CC(=CC1CCCCC1)C(=O)O MCULE-2411453362 [0,2,0,0,0,0|0,0,2]=4 2231 B13R1.418 N#CC(CC1CCCCC1)C(=O)O MCULE-4457810826 [0,2,0,0,0,0|0,0,0]=2 2232 B13R1.1073 CC(C)(CC1CCCCC1)C(=O)O MCULE-4431628884 [0,2,0,0,0,0|0,0,0]=2 2233 B13R1.1073 CC(C)(CC1CCCNC1)C(=O)N MCULE-9506741399 [0,2,0,0,0,0|2,0,0]=4 2234 B13R1.1073 CC(C)(CC1CCOCC1)C(=O)O MCULE-2632743760 [0,2,0,0,0,0|1,0,0]=3 2235 B13R1.1073 CC(C)(CN1CCOCC1)C(=O)O MCULE-6453166417 [0,2,0,0,0,0|2,0,0]=4 2236 B13R1.1073 CC(C)(CN1CCOCC1)C(=O)O MCULE-8702484754 [0,2,0,0,0,0|2,0,0]=4 2237 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)O MCULE-5707751048 [0,2,0,0,0,0|1,0,0]=3 2238 B13R1.147 CC1CCCN(C1)C(C)CC(=O)O MCULE-7522770035 [0,2,0,0,0,0|1,0,0]=3 2239 B13R1.147 CN1CCCC(C1)N(C)CC(=O)O MCULE-8292119827 [0,2,0,0,0,0|2,0,0]=4 2240 B13R1.147 CN1CCC[C@@H](C1)N(C)CC(=O)O MCULE-4280373108 [0,2,0,0,0,0|2,0,0]=4 2241 B13R1.147 CN1CCC[C@H](C1)N(C)CC(=O)O MCULE-5007705760 [0,2,0,0,0,0|2,0,0]=4 2242 B13R1.201 CC(CC(=O)O)N1CCCCC1=O MCULE-6718406712 [0,2,0,0,0,0|1,0,1]=4 2243 B13R1.201 CC1CCCCN1C(C)CC(=O)O MCULE-4261639890 [0,2,0,0,0,0|1,0,0]=3 2244 B13R1.347 CC(=O)CC(C)(C)C1CCCCC1 MCULE-6749005214 [0,2,0,0,0,0|1,0,0]=3 2245 B13R1.347 CC(C)(CC(=O)O)C1CCCCC1 MCULE-1650868849 [0,2,0,0,0,0|0,0,0]=2 2246 B13R1.347 CC(O)(CC(=O)O)C1CCCCC1 MCULE-9756421653 [0,2,0,0,0,0|0,0,0]=2 2247 B13R1.347 O=C(O)CS(=O)(=O)C1CCCCC1 MCULE-8458489703 [0,2,0,0,0,0|1,0,0]=3 2248 B13R1.713 CCC(OC(=O)N)C1CCCCC1 MCULE-8931543279 [0,2,0,0,0,0|2,0,0]=4 2249 B13R1.713 NCC(CC(=O)O)C1CCCCC1 MCULE-6363651635 [0,2,0,0,0,0|0,0,0]=2 2250 B13R1.713 NCC(CC(=O)O)C1CCCCC1 MCULE-9341930354 [0,2,0,0,0,0|0,0,0]=2 2251 B13R1.7467 CC1(CCCCC1)C(N)CC(=O)O MCULE-4424056475 [0,2,0,0,0,0|0,0,0]=2 2252 B13R1.90 CCC1CCCCC1OCC(=O)O MCULE-4174544329 [0,2,0,0,0,0|1,0,0]=3 2253 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-7797119414 [0,2,0,0,0,0|1,0,0]=3 2254 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-8806588553 [0,2,0,0,0,0|1,0,0]=3 2255 B13R1.90 COC1CCCCC1NCC(=O)N MCULE-8300149781 [0,2,0,0,0,0|2,0,0]=4 2256 B13R1.90 COC1CCCCC1NCC(=O)O MCULE-8478049629 [0,2,0,0,0,0|1,0,0]=3 2257 B13R1.3575 CC1(CCOCC1NCC(=O)O)O MCULE-7877125276 [0,2,0,0,0,0|2,0,0]=4 2258 B13R1.3787 CC1CCCC(N1CCC(=O)O)C MCULE-5437713528 [0,2,0,0,0,0|1,0,0]=3 2259 B13R1.3787 CC1CCCC(N1CCC(=O)O)C MCULE-5754159196 [0,2,0,0,0,0|1,0,0]=3 2260 B13R1.3787 C[C@H]1CCC[C@H](N1CCC(=O)O)C MCULE-3280034150 [0,2,0,0,0,0|1,0,0]=3 2261 B13R1.3787 C[C@H]1CCC[C@H](N1CCC(=O)O)C MCULE-6064144876 [0,2,0,0,0,0|1,0,0]=3 2262 B13R1.643 O=C(O)CCN1CCCC(C1)CO MCULE-6488437449 [0,2,0,0,0,0|1,0,0]=3 2263 B13R1.3420 CC1CC(CN(C1)CCC(=O)O)C MCULE-1341672883 [0,2,0,0,0,0|1,0,0]=3 2264 B13R1.3420 CC1CC(CN(C1)CCC(=O)O)C MCULE-1460908185 [0,2,0,0,0,0|1,0,0]=3 2265 B13R1.3420 CC1CN(CC(O1)C)CCC(=O)O MCULE-3292419148 [0,2,0,0,0,0|2,0,0]=4 2266 B13R1.3420 CC1CN(CC(O1)C)CCC(=O)O MCULE-5490022199 [0,2,0,0,0,0|2,0,0]=4 2267 B13R1.3420 C[C@H]1CN(C[C@H](O1)C)CCC(=O)O MCULE-3798365353 [0,2,0,0,0,0|2,0,0]=4 2268 B11R1.27 CCCCCC1C=CC(=O)O1 MCULE-7215901584 [0,0,1,1,0,0|0,0,2]=4 2269 B11R1.27 CCCCCC1CCC(=O)O1 MCULE-8658118167 [0,0,1,1,0,0|0,0,0]=2 2270 B11R1.27 CCCCC[C@H]1CCC(=O)O1 MCULE-5773106371 [0,0,1,1,0,0|0,0,0]=2 2271 B11R1.27 O=C1CCC(O1)CCCCCl MCULE-9831879802 [0,0,1,1,0,0|1,0,0]=3 2272 B11R1.53 CCC1CCCCC1C(=O)O MCULE-7668550184 [0,0,1,1,0,0|0,0,0]=2 2273 B11R1.53 CCN1CCCCC1C(=O)O MCULE-4498923070 [0,0,1,1,0,0|1,0,0]=3 2274 B11R1.53 CCN1CCCCC1C(=O)O MCULE-7899898030 [0,0,1,1,0,0|1,0,0]=3 2275 B11R1.53 CCN1CCOCC1C(=O)O MCULE-5700522196 [0,0,1,1,0,0|2,0,0]=4 2276 B11R1.53 COC1CCCCC1C(=O)O MCULE-6019948868 [0,0,1,1,0,0|1,0,0]=3 2277 B11R1.53 NC(=O)[C@H]1CCCC[C@@H]1CO MCULE-2660751861 [0,0,1,1,0,0|2,0,0]=4 2278 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1165595049 [0,0,1,1,0,0|1,0,0]=3 2279 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O MCULE-4991619146 [0,0,1,1,0,0|1,0,0]=3 2280 B11R1.57 C=CC1CCCC1CC(=O)O MCULE-4540266032 [0,0,1,1,0,0|0,0,2]=4 2281 B11R1.57 O=C(O)CN1CCCC1CBr MCULE-5679582185 [0,0,1,1,0,0|2,0,0]=4 2282 B11R1.57 O=C(O)CN1CCCC1CCl MCULE-2614095966 [0,0,1,1,0,0|2,0,0]=4 2283 B11R1.57 O=C(O)CN1CCCC1CI MCULE-2547746402 [0,0,1,1,0,0|2,0,0]=4 2284 B11R1.57 O=C(O)CN1CCCC1CO MCULE-9577753530 [0,0,1,1,0,0|2,0,0]=4 2285 B11R1.57 O=C(O)CN1CCC[C@H]1CO MCULE-1472111718 [0,0,1,1,0,0|2,0,0]=4 2286 B11R1.99 CCCCCCCCC1CO1 MCULE-5254067206 [0,0,1,1,0,0|1,0,1]=4 2287 B11R1.99 CCCCCCCC[C@@H]1CO1 MCULE-1956936475 [0,0,1,1,0,0|1,0,1]=4 2288 B11R1.101 O=C1CCCCCCCCC1 MCULE-7431354983 [0,0,1,1,0,0|1,0,0]=3 2289 B11R1.101 O=C1CCCCCCCCN1 MCULE-4805310836 [0,0,1,1,0,0|1,0,0]=3 2290 B11R1.101 O=C1CCNCCCCCN1 MCULE-1892904766 [0,0,1,1,0,0|2,0,0]=4 2291 B11R1.107 O=C1CCCCCCC(=O)O1 MCULE-6826256328 [0,0,1,1,0,0|1,0,1]=4 2292 B11R1.110 NCCC1CCCCC(=O)N1 MCULE-2147581863 [0,0,1,1,0,0|2,0,0]=4 2293 B11R1.110 NCCC1CCCCC(=O)N1 MCULE-8292359667 [0,0,1,1,0,0|2,0,0]=4 2294 B11R1.143 CN1CCCCCC1C(=O)O MCULE-2653542021 [0,0,1,1,0,0|1,0,0]=3 2295 B11R1.143 CN1CCCCCC1C(=O)O MCULE-3417099605 [0,0,1,1,0,0|1,0,0]=3 2296 B11R1.143 NC1CCCCCC1C(=O)O MCULE-8944650297 [0,0,1,1,0,0|1,0,0]=3 2297 B11R1.143 NC1CCCCCC1C(=O)O MCULE-9787960494 [0,0,1,1,0,0|1,0,0]=3 2298 B11R1.172 NC(=O)CCNC1CCCC1 MCULE-2584575010 [0,0,1,1,0,0|2,0,0]=4 2299 B11R1.172 O=C(O)CCCC1CCCC1 MCULE-5735094397 [0,0,1,1,0,0|0,0,0]=2 2300 B11R1.172 O=C(O)CCCC1CCSS1 MCULE-1919221477 [0,0,1,1,0,0|2,0,0]=4 2301 B11R1.172 O=C(O)CCCN1CCCC1 MCULE-7995654522 [0,0,1,1,0,0|1,0,0]=3 2302 B11R1.172 O=C(O)CCCN1CCCC1 MCULE-9746290578 [0,0,1,1,0,0|1,0,0]=3 2303 B11R1.172 O=C(O)CCNC1CCCC1 MCULE-1657479625 [0,0,1,1,0,0|1,0,0]=3 2304 B11R1.172 O=C(O)CCNC1CCCC1 MCULE-3083688470 [0,0,1,1,0,0|1,0,0]=3 2305 B11R1.172 O=C(O)CCSC1CCCC1 MCULE-1998655965 [0,0,1,1,0,0|1,0,0]=3 2306 B11R1.172 O=C(O)COCC1CCCC1 MCULE-5915220179 [0,0,1,1,0,0|1,0,0]=3 2307 B11R1.172 O=C(O)COCC1CCCN1 MCULE-4455185085 [0,0,1,1,0,0|2,0,0]=4 2308 B11R1.172 O=C(O)COCC1CCCN1 MCULE-9900773670 [0,0,1,1,0,0|2,0,0]=4 2309 B11R1.172 O=C(O)COCC1CCCO1 MCULE-6503346834 [0,0,1,1,0,0|2,0,0]=4 2310 B11R1.172 O=C(O)COCC1CCOC1 MCULE-8544806817 [0,0,1,1,0,0|2,0,0]=4 2311 B11R1.172 O=C(O)CSCC1CCCO1 MCULE-5372517414 [0,0,1,1,0,0|2,0,0]=4 2312 B11R1.193 CCCC1CCCC1C(=O)O MCULE-1492543766 [0,0,1,1,0,0|0,0,0]=2 2313 B11R1.193 CCCC1CCNC1C(=O)O MCULE-3288508053 [0,0,1,1,0,0|1,0,0]=3 2314 B11R1.193 CCCC1CCNC1C(=O)O MCULE-8057933085 [0,0,1,1,0,0|1,0,0]=3 2315 B11R1.193 CCCN1CCCC1C(=O)O MCULE-8751998851 [0,0,1,1,0,0|1,0,0]=3 2316 B11R1.193 CCCN1CCC[C@H]1C(=O)O MCULE-2240941812 [0,0,1,1,0,0|1,0,0]=3 2317 B11R1.193 CCCN1CCC[C@H]1C(=O)O MCULE-4921696951 [0,0,1,1,0,0|1,0,0]=3 2318 B11R1.193 O=C(O)C1CNCC1CCO MCULE-3831742896 [0,0,1,1,0,0|2,0,0]=4 2319 B11R1.706 CC(=O)C1CCCCCCC1 MCULE-7453374150 [0,0,1,1,0,0|1,0,0]=3 2320 B11R1.706 O=C(O)C1CCC=CCCC1 MCULE-1202438669 [0,0,1,1,0,0|0,0,2]=4 2321 B11R1.706 O=C(O)C1CCCCCCC1 MCULE-7220278799 [0,0,1,1,0,0|0,0,0]=2 2322 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2852082428 [0,0,1,1,0,0|1,0,0]=3 2323 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2931630393 [0,0,1,1,0,0|1,0,0]=3 2324 B11R1.742 C=C(C)CC1CCCCCC1 MCULE-6590200380 [0,0,1,1,0,0|2,0,0]=4 2325 B11R1.742 CC(=O)CC1CCCCCN1 MCULE-2355996760 [0,0,1,1,0,0|2,0,0]=4 2326 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-5319693118 [0,0,1,1,0,0|2,0,0]=4 2327 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-8763178253 [0,0,1,1,0,0|2,0,0]=4 2328 B11R1.742 CC(=O)NC1CCCCCC1 MCULE-3697459369 [0,0,1,1,0,0|2,0,0]=4 2329 B11R1.742 NC(=O)CN1CCCCCC1 MCULE-5945622165 [0,0,1,1,0,0|2,0,0]=4 2330 B11R1.742 NC(=O)NC1CCCCCC1 MCULE-7737326688 [0,0,1,1,0,0|2,0,0]=4 2331 B11R1.742 O=C(O)C=C1CCCCCC1 MCULE-5228387881 [0,0,1,1,0,0|0,0,2]=4 2332 B11R1.742 O=C(O)CC1CCC=CCC1 MCULE-8122130448 [0,0,1,1,0,0|0,0,2]=4 2333 B11R1.742 O=C(O)CC1CCCCCC1 MCULE-3247091796 [0,0,1,1,0,0|0,0,0]=2 2334 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-1259156999 [0,0,1,1,0,0|1,0,0]=3 2335 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-8862658650 [0,0,1,1,0,0|1,0,0]=3 2336 B11R1.742 O=C(O)CC1CCCOCC1 MCULE-7663320476 [0,0,1,1,0,0|1,0,0]=3 2337 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1178025352 [0,0,1,1,0,0|1,0,0]=3 2338 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1252489424 [0,0,1,1,0,0|1,0,0]=3 2339 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-7410717770 [0,0,1,1,0,0|2,0,0]=4 2340 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-8199207666 [0,0,1,1,0,0|2,0,0]=4 2341 B11R1.50 COC1CC(N(C1)C)C(=O)O MCULE-1423425692 [0,0,1,1,0,0|2,0,0]=4 2342 B11R1.50 COC1CC(N(C1)C)C(=O)O MCULE-2959748188 [0,0,1,1,0,0|2,0,0]=4 2343 B11R1.50 CO[C@@H]1C[C@@H](N(C1)C)C(=O)O MCULE-1590152733 [0,0,1,1,0,0|2,0,0]=4 2344 B11R1.50 CO[C@@H]1C[C@@H](N(C1)C)C(=O)O MCULE-1725337520 [0,0,1,1,0,0|2,0,0]=4 2345 B11R1.50 CO[C@@H]1C[C@@H](N(C1)C)C(=O)O MCULE-4795764012 [0,0,1,1,0,0|2,0,0]=4 2346 B11R1.50 CO[C@@H]1C[C@@H](N(C1)C)C(=O)O MCULE-4979168553 [0,0,1,1,0,0|2,0,0]=4 2347 B11R1.50 CO[C@@H]1C[C@H](N(C1)C)C(=O)O MCULE-1573245897 [0,0,1,1,0,0|2,0,0]=4 2348 B11R1.50 CO[C@@H]1C[C@H](N(C1)C)C(=O)O MCULE-2703321277 [0,0,1,1,0,0|2,0,0]=4 2349 B11R1.50 CO[C@@H]1C[C@H](N(C1)C)C(=O)O MCULE-6208220513 [0,0,1,1,0,0|2,0,0]=4 2350 B11R1.50 CO[C@@H]1C[C@H](N(C1)C)C(=O)O MCULE-7440692979 [0,0,1,1,0,0|2,0,0]=4 2351 B11R1.50 CO[C@H]1C[C@@H](N(C1)C)C(=O)O MCULE-1704338327 [0,0,1,1,0,0|2,0,0]=4 2352 B11R1.50 CO[C@H]1C[C@@H](N(C1)C)C(=O)O MCULE-1877030062 [0,0,1,1,0,0|2,0,0]=4 2353 B11R1.50 CO[C@H]1C[C@@H](N(C1)C)C(=O)O MCULE-4474244565 [0,0,1,1,0,0|2,0,0]=4 2354 B11R1.50 CO[C@H]1C[C@@H](N(C1)C)C(=O)O MCULE-8920183735 [0,0,1,1,0,0|2,0,0]=4 2355 B11R1.50 CO[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-7317236292 [0,0,1,1,0,0|2,0,0]=4 2356 B11R1.50 CO[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-8577964792 [0,0,1,1,0,0|2,0,0]=4 2357 B11R1.50 CO[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-8849413165 [0,0,1,1,0,0|2,0,0]=4 2358 B11R1.50 CO[C@H]1C[C@H](N(C1)C)C(=O)O MCULE-9195162297 [0,0,1,1,0,0|2,0,0]=4 2359 B11R1.50 [C@H]1(CN([C@H](C1)C(=O)O)C)OC MCULE-7841306971 [0,0,1,1,0,0|2,0,0]=4 2360 B11R1.50 [C@H]1(CN([C@H](C1)C(=O)O)C)OC MCULE-9935832845 [0,0,1,1,0,0|2,0,0]=4 2361 B11R1.124 CCCC1NC(CS1)C(=O)O MCULE-9232736607 [0,0,1,1,0,0|2,0,0]=4 2362 B11R1.135 CCCC1CCNC(=O)CC1 MCULE-3101429191 [0,0,1,1,0,0|1,0,0]=3 2363 B11R1.266 CCC1CC(CCO1)C(=O)O MCULE-2078111514 [0,0,1,1,0,0|1,0,0]=3 2364 B11R1.266 CCC1CCCC(N1)C(=O)O MCULE-7713794654 [0,0,1,1,0,0|1,0,0]=3 2365 B11R1.266 CCN1CCCC(C1)C(=O)C MCULE-7135351580 [0,0,1,1,0,0|2,0,0]=4 2366 B11R1.266 CCN1CCCC(C1)C(=O)O MCULE-6025646187 [0,0,1,1,0,0|1,0,0]=3 2367 B11R1.266 CCN1CCCC(C1)C(=O)O MCULE-9624023787 [0,0,1,1,0,0|1,0,0]=3 2368 B11R1.266 CCN1CCOC(C1)C(=O)O MCULE-2517957161 [0,0,1,1,0,0|2,0,0]=4 2369 B11R1.266 CCN1CCOC(C1)C(=O)O MCULE-7367864264 [0,0,1,1,0,0|2,0,0]=4 2370 B11R1.266 COC1CCCC(C1)C(=O)O MCULE-5456384162 [0,0,1,1,0,0|1,0,0]=3 2371 B11R1.266 COC1CCNC(C1)C(=O)O MCULE-4331709048 [0,0,1,1,0,0|2,0,0]=4 2372 B11R1.266 COC1CCNC(C1)C(=O)O MCULE-4664523841 [0,0,1,1,0,0|2,0,0]=4 2373 B11R1.266 CO[C@@H]1CCN[C@@H](C1)C(=O)O MCULE-3625899999 [0,0,1,1,0,0|2,0,0]=4 2374 B11R1.266 CO[C@@H]1CCN[C@H](C1)C(=O)O MCULE-5992517897 [0,0,1,1,0,0|2,0,0]=4 2375 B11R1.266 CO[C@H]1CCC[C@H](C1)C(=O)O MCULE-4087120684 [0,0,1,1,0,0|1,0,0]=3 2376 B11R1.266 CO[C@H]1CCN[C@@H](C1)C(=O)O MCULE-9935444947 [0,0,1,1,0,0|2,0,0]=4 2377 B11R1.266 CO[C@H]1CCN[C@H](C1)C(=O)O MCULE-1244366233 [0,0,1,1,0,0|2,0,0]=4 2378 B11R1.266 O=C(O)C1CCCC(C1)CO MCULE-5244716212 [0,0,1,1,0,0|1,0,0]=3 2379 B11R1.167 CN1CCN(C(C1)C(=O)O)C MCULE-6290479918 [0,0,1,1,0,0|2,0,0]=4 2380 B11R1.167 CN1CCN(C(C1)C(=O)O)C MCULE-8670086906 [0,0,1,1,0,0|2,0,0]=4 2381 B11R1.167 CN1CCN([C@@H](C1)C(=O)O)C MCULE-6955851048 [0,0,1,1,0,0|2,0,0]=4 2382 B11R1.167 CN1CCN([C@@H](C1)C(=O)O)C MCULE-7191641614 [0,0,1,1,0,0|2,0,0]=4 2383 B11R1.167 CN1CCN([C@H](C1)C(=O)O)C MCULE-3765574199 [0,0,1,1,0,0|2,0,0]=4 2384 B11R1.167 CN1CCN([C@H](C1)C(=O)O)C MCULE-6324425972 [0,0,1,1,0,0|2,0,0]=4 2385 B11R1.167 CN1CC[C@H]([C@@H](C1)C(=O)O)O MCULE-3460047813 [0,0,1,1,0,0|2,0,0]=4 2386 B11R1.211 CCCCC1CC(C1)C(=O)O MCULE-5371999709 [0,0,1,1,0,0|0,0,0]=2 2387 B11R1.211 CCCOC1CC(C1)C(=O)O MCULE-9981862132 [0,0,1,1,0,0|1,0,0]=3 2388 B11R1.211 O=C(O)C1CC(C1)OCCF MCULE-4299775378 [0,0,1,1,0,0|2,0,0]=4 2389 B11R1.346 O=C(O)CCC(=O)C1CCC1 MCULE-8811358615 [0,0,1,1,0,0|1,0,1]=4 2390 B11R1.495 CC1CCC(N1CC(=O)O)C MCULE-1197067262 [0,0,1,1,0,0|1,0,0]=3 2391 B11R1.497 NC1CCCCC(C1)C(=O)O MCULE-6764464855 [0,0,1,1,0,0|1,0,0]=3 2392 B11R1.497 O=C(O)C1CCCCC(C1)O MCULE-8775414897 [0,0,1,1,0,0|1,0,0]=3 2393 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [0,0,1,1,0,0|1,0,1]=4 2394 B11R1.914 CCCCC1(CCC(=O)O1)C MCULE-7029855699 [0,0,1,1,0,0|0,0,0]=2 2395 B11R2.1 C12CCC(=O)N1CCNC2 MCULE-1513981705 [1,0,0,1,0,0|2,0,0]=4 2396 B11R2.1 C12CCC(=O)N1CCNC2 MCULE-9215398601 [1,0,0,1,0,0|2,0,0]=4 2397 B11R2.1 O=C1CCC2=C1CCCC2 MCULE-1175519180 [1,0,0,1,0,0|0,0,2]=4 2398 B11R2.1 O=C1CCC2C1CCCC2 MCULE-5230213478 [1,0,0,1,0,0|0,0,0]=2 2399 B11R2.1 O=C1CCC2N1CCNC2 MCULE-3552145137 [1,0,0,1,0,0|2,0,0]=4 2400 B11R2.1 O=C1CCC2N1CCNC2 MCULE-6247915101 [1,0,0,1,0,0|2,0,0]=4 2401 B11R2.1 O=C1CCN2C1CCCC2 MCULE-1510961235 [1,0,0,1,0,0|1,0,0]=3 2402 B11R2.1 O=C1CC[C@@H]2[C@H]1CNCC2 MCULE-7693252732 [1,0,0,1,0,0|1,0,0]=3 2403 B11R2.1 O=C1CC[C@@H]2[C@H]1CNCC2 MCULE-9086665591 [1,0,0,1,0,0|1,0,0]=3 2404 B11R2.1 O=C1CC[C@H]2N1CCNC2 MCULE-1535215477 [1,0,0,1,0,0|2,0,0]=4 2405 B11R2.1 O=C1NCC2C1CCCC2 MCULE-5314216235 [1,0,0,1,0,0|1,0,0]=3 2406 B11R2.1 O=C1NCC2C1CCCN2 MCULE-4264936664 [1,0,0,1,0,0|2,0,0]=4 2407 B11R2.1 O=C1NCC2C1CCNC2 MCULE-4189146394 [1,0,0,1,0,0|2,0,0]=4 2408 B11R2.1 O=C1NCC2C1CNCC2 MCULE-6172538166 [1,0,0,1,0,0|2,0,0]=4 2409 B11R2.1 O=C1NCC2N1CCCC2 MCULE-4587544627 [1,0,0,1,0,0|2,0,0]=4 2410 B11R2.1 O=C1OCC2C1CCCC2 MCULE-3625572177 [1,0,0,1,0,0|1,0,0]=3 2411 B11R2.1 O=C1OCC2N1CCCC2 MCULE-7447605306 [1,0,0,1,0,0|2,0,0]=4 2412 B11R2.1 [C@@H]12CCC(=O)N1CCNC2 MCULE-2350592029 [1,0,0,1,0,0|2,0,0]=4 2413 B11R2.1 [C@@H]12CCC(=O)N1CCNC2 MCULE-3048366829 [1,0,0,1,0,0|2,0,0]=4 2414 B11R2.1 [C@@H]12CCC(=O)N1CCNC2 MCULE-7959549931 [1,0,0,1,0,0|2,0,0]=4 2415 B11R2.1 [C@@H]12CCC(=O)N1CCNC2 MCULE-8311875816 [1,0,0,1,0,0|2,0,0]=4 2416 B11R2.1 [C@@H]12CCNC[C@@H]1C(=O)NC2 MCULE-2880493380 [1,0,0,1,0,0|2,0,0]=4 2417 B11R2.1 [C@@H]12CCNC[C@@H]1C(=O)NC2 MCULE-4589026986 [1,0,0,1,0,0|2,0,0]=4 2418 B11R2.1 [C@@H]12CCNC[C@@H]1C(=O)NC2 MCULE-9209813333 [1,0,0,1,0,0|2,0,0]=4 2419 B11R2.1 [C@H]12CCC(=O)N1CCNC2 MCULE-1390108219 [1,0,0,1,0,0|2,0,0]=4 2420 B11R2.1 [C@H]12CCC(=O)N1CCNC2 MCULE-2266447687 [1,0,0,1,0,0|2,0,0]=4 2421 B11R2.1 [C@H]12CCC(=O)N1CCNC2 MCULE-9921549426 [1,0,0,1,0,0|2,0,0]=4 2422 B11R2.1 [C@H]12CCCC[C@H]1COC2=O MCULE-7096465884 [1,0,0,1,0,0|1,0,0]=3 2423 B11R2.1 [C@H]12CCNC[C@H]1C(=O)NC2 MCULE-6557117342 [1,0,0,1,0,0|2,0,0]=4 2424 B11R2.1 [C@H]12CCNC[C@H]1C(=O)NC2 MCULE-7866008417 [1,0,0,1,0,0|2,0,0]=4 2425 B11R2.4 N[C@@H]1C[C@H]1C2CCCCC2 MCULE-3990781293 [1,0,0,1,0,0|1,0,1]=4 2426 B11R2.4 N[C@@H]1C[C@H]1C2CCCCC2 MCULE-5032209468 [1,0,0,1,0,0|1,0,1]=4 2427 B11R2.4 O=C1CN1C2CCCCC2 MCULE-3290999340 [1,0,0,1,0,0|1,0,0]=3 2428 B11R2.12 NC1CCC12CCCCC2 MCULE-6886541560 [1,0,0,1,0,0|1,0,1]=4 2429 B11R2.12 NC1CCC12CCCCC2 MCULE-7547619857 [1,0,0,1,0,0|1,0,1]=4 2430 B11R2.12 O=C1CCC12CCCCC2 MCULE-1472740479 [1,0,0,1,0,0|0,0,0]=2 2431 B11R2.12 O=C1CCC12CCOCC2 MCULE-4099337255 [1,0,0,1,0,0|1,0,0]=3 2432 B11R2.12 O=C1COC12CCCCC2 MCULE-3670246496 [1,0,0,1,0,0|1,0,0]=3 2433 B11R2.12 O=C1NCC12CCCNC2 MCULE-2309975536 [1,0,0,1,0,0|2,0,0]=4 2434 B11R2.12 O=C1NCC12CCCNC2 MCULE-4056738652 [1,0,0,1,0,0|2,0,0]=4 2435 B11R2.12 O=C1NCC12CCNCC2 MCULE-6987871994 [1,0,0,1,0,0|2,0,0]=4 2436 B11R2.12 O=C1NCC12CCNCC2 MCULE-9042821296 [1,0,0,1,0,0|2,0,0]=4 2437 B11R2.12 O=C1NC[C@@]12CCCNC2 MCULE-3023321228 [1,0,0,1,0,0|2,0,0]=4 2438 B11R2.12 OC1CCC12CCCCC2 MCULE-3691147336 [1,0,0,1,0,0|0,0,1]=3 2439 B11R2.12 OC1CCC12CCOCC2 MCULE-3117551262 [1,0,0,1,0,0|1,0,1]=4 2440 B11R2.12 O[C@H]1CCC12CCCCC2 MCULE-5204946295 [1,0,0,1,0,0|0,0,1]=3 2441 B11R2.13 NCC1CC12CCCCC2 MCULE-6077779260 [1,0,0,1,0,0|1,0,1]=4 2442 B11R2.13 NCC1CC12CCCCC2 MCULE-7048093929 [1,0,0,1,0,0|1,0,1]=4 2443 B11R2.13 OCC1CC12CCCCC2 MCULE-6238078443 [1,0,0,1,0,0|0,0,1]=3 2444 B11R2.13 OCC1CC12CCNCC2 MCULE-2003710184 [1,0,0,1,0,0|1,0,1]=4 2445 B11R2.13 OCC1CC12CCNCC2 MCULE-3353313079 [1,0,0,1,0,0|1,0,1]=4 2446 B11R2.20 C12CCCCC1CCCC2 MCULE-2570098741 [1,0,0,1,0,0|1,0,1]=4 2447 B11R2.20 C12CCCCC1CCCC2 MCULE-3385427357 [1,0,0,1,0,0|1,0,1]=4 2448 B11R2.20 C1=CCC2CCCCC2C1 MCULE-1299418288 [1,0,0,1,0,0|1,0,1]=4 2449 B11R2.20 C1CCC2CNCCC2C1 MCULE-5379718148 [1,0,0,1,0,0|2,0,0]=4 2450 B11R2.20 C1CCC2CNCCC2C1 MCULE-6456041823 [1,0,0,1,0,0|2,0,0]=4 2451 B11R2.20 C1CCC2NCCCC2C1 MCULE-6859709470 [1,0,0,1,0,0|1,0,1]=4 2452 B11R2.20 C1CCC2OCCNC2C1 MCULE-3226758332 [1,0,0,1,0,0|1,0,1]=4 2453 B11R2.20 C1CCC2OCCNC2C1 MCULE-5563158626 [1,0,0,1,0,0|1,0,1]=4 2454 B11R2.20 C1CCC2OCNCC2C1 MCULE-8664932090 [1,0,0,1,0,0|1,0,1]=4 2455 B11R2.20 C1CC[C@@H]2CCCN[C@H]2C1 MCULE-3495389861 [1,0,0,1,0,0|1,0,1]=4 2456 B11R2.20 C1CC[C@@H]2NCCC[C@@H]2C1 MCULE-2039670150 [1,0,0,1,0,0|1,0,1]=4 2457 B11R2.20 C1CC[C@@H]2NCCC[C@@H]2C1 MCULE-3715108834 [1,0,0,1,0,0|1,0,1]=4 2458 B11R2.20 C1CC[C@@H]2OCCN[C@H]2C1 MCULE-1104392791 [1,0,0,1,0,0|1,0,1]=4 2459 B11R2.20 C1CC[C@@H]2OCCN[C@H]2C1 MCULE-3992819908 [1,0,0,1,0,0|1,0,1]=4 2460 B11R2.20 C1CC[C@@H]2OCCN[C@H]2C1 MCULE-7502968023 [1,0,0,1,0,0|1,0,1]=4 2461 B11R2.20 C1CC[C@@H]2OCCN[C@H]2C1 MCULE-7932680593 [1,0,0,1,0,0|1,0,1]=4 2462 B11R2.20 C1CC[C@H]2CNCC[C@H]2C1 MCULE-9091101301 [1,0,0,1,0,0|2,0,0]=4 2463 B11R2.20 C1COC2CCNCC2C1 MCULE-3991070982 [1,0,0,1,0,0|1,0,1]=4 2464 B11R2.20 C1COC2CCNCC2C1 MCULE-4656971612 [1,0,0,1,0,0|1,0,1]=4 2465 B11R2.20 C1COC2CNCCC2C1 MCULE-9627017585 [1,0,0,1,0,0|1,0,1]=4 2466 B11R2.20 C1CO[C@@H]2CCNC[C@H]2C1 MCULE-7972924790 [1,0,0,1,0,0|1,0,1]=4 2467 B11R2.20 [C@@H]12CCCC[C@H]1CNCC2 MCULE-3449538004 [1,0,0,1,0,0|2,0,0]=4 2468 B11R2.20 [C@@H]12CCCC[C@H]1CNCC2 MCULE-6852987915 [1,0,0,1,0,0|2,0,0]=4 2469 B11R2.20 [C@H]12CCCC[C@@H]1CCCN2 MCULE-1096826550 [1,0,0,1,0,0|1,0,1]=4 2470 B11R2.20 [C@H]12CCCO[C@@H]1CCNC2 MCULE-1348026609 [1,0,0,1,0,0|1,0,1]=4 2471 B11R2.64 O=C1NCC2CCC1CN2 MCULE-6014809802 [1,0,0,1,0,0|2,0,0]=4 2472 B11R2.64 O=C1NCC2CCC1CN2 MCULE-6172944585 [1,0,0,1,0,0|2,0,0]=4 2473 B11R2.64 O=C1NCN2CCC1CC2 MCULE-4922338896 [1,0,0,1,0,0|2,0,0]=4 2474 B11R2.76 OCCN1C2CCC1CC2 MCULE-1080680204 [1,0,0,1,0,0|1,0,1]=4 2475 B11R2.164 BrCC1CC2CCC1CC2 MCULE-8965587093 [1,0,0,1,0,0|1,0,1]=4 2476 B11R2.164 C#CC1CC2CCC1CC2 MCULE-8142578940 [1,0,0,1,0,0|1,0,1]=4 2477 B11R2.164 N#CC1CC2CCC1CC2 MCULE-7666826170 [1,0,0,1,0,0|1,0,1]=4 2478 B11R2.164 NCC1CC2CCC1CC2 MCULE-5693219709 [1,0,0,1,0,0|1,0,1]=4 2479 B11R2.164 NCC1CC2CCC1CC2 MCULE-6647106698 [1,0,0,1,0,0|1,0,1]=4 2480 B11R2.164 O=CC1CC2C=CC1CC2 MCULE-6153090139 [1,0,0,1,0,0|0,0,2]=4 2481 B11R2.164 O=CC1CC2CCC1CC2 MCULE-1473706188 [1,0,0,1,0,0|0,0,0]=2 2482 B11R2.164 O=CC1CC2CCN1CC2 MCULE-2120663138 [1,0,0,1,0,0|1,0,0]=3 2483 B11R2.164 OCC1CC2CCC1CC2 MCULE-5766038887 [1,0,0,1,0,0|0,0,1]=3 2484 B11R2.164 OCC1CC2CCC1NC2 MCULE-9514446319 [1,0,0,1,0,0|1,0,1]=4 2485 B11R2.164 OCC1CC2CCC1NC2 MCULE-9705814392 [1,0,0,1,0,0|1,0,1]=4 2486 B11R2.164 OCC1CC2CCN1CC2 MCULE-8637862968 [1,0,0,1,0,0|1,0,1]=4 2487 B11R2.164 OCC1CN2CCC1CC2 MCULE-1136035515 [1,0,0,1,0,0|1,0,1]=4 2488 B11R2.164 OCC1CN2CCC1CC2 MCULE-6385278437 [1,0,0,1,0,0|1,0,1]=4 2489 B11R2.164 OC[C@H]1CN2CCC1CC2 MCULE-5044681044 [1,0,0,1,0,0|1,0,1]=4 2490 B11R2.238 C1CCN(CC1)CC2CO2 MCULE-5777218619 [1,0,0,1,0,0|1,0,1]=4 2491 B11R2.239 C1CCC(CC1)C2CCN2 MCULE-5925682172 [1,0,0,1,0,0|1,0,1]=4 2492 B11R2.239 C1CCC(CC1)C2CCN2 MCULE-8650852584 [1,0,0,1,0,0|1,0,1]=4 2493 B11R2.239 C1CCC(CC1)C2CNC2 MCULE-2242492292 [1,0,0,1,0,0|2,0,0]=4 2494 B11R2.239 C1CCC(CC1)C2CNC2 MCULE-7222566670 [1,0,0,1,0,0|2,0,0]=4 2495 B11R2.357 O=C1CCN2CCCC1C2 MCULE-9793314447 [1,0,0,1,0,0|1,0,0]=3 2496 B11R2.1261 C1=CC2(CCCCC2)NC1 MCULE-1902396207 [1,0,0,1,0,0|2,0,0]=4 2497 B11R2.1261 C1CCC2(CC1)CCCN2 MCULE-1676802958 [1,0,0,1,0,0|1,0,1]=4 2498 B11R2.1261 C1CCC2(CC1)CCCN2 MCULE-6049591759 [1,0,0,1,0,0|1,0,1]=4 2499 B11R2.1261 C1CCC2(CC1)CCNC2 MCULE-3485067431 [1,0,0,1,0,0|2,0,0]=4 2500 B11R2.1261 C1CCC2(CC1)CCNC2 MCULE-4078636395 [1,0,0,1,0,0|2,0,0]=4 2501 B11R2.1261 C1CCC2(CC1)NCCO2 MCULE-5583798211 [1,0,0,1,0,0|1,0,1]=4 2502 B11R2.1261 C1CCC2(CC1)OCCO2 MCULE-8030331281 [1,0,0,1,0,0|1,0,1]=4 2503 B11R2.1261 C1CNCC2(C1)CCCO2 MCULE-1386530350 [1,0,0,1,0,0|1,0,1]=4 2504 B11R2.1261 C1CNCC2(C1)CCCO2 MCULE-4437323375 [1,0,0,1,0,0|1,0,1]=4 2505 B11R2.1261 C1COC2(C1)CCNCC2 MCULE-1676414196 [1,0,0,1,0,0|1,0,1]=4 2506 B11R2.1261 C1COC2(C1)CCNCC2 MCULE-2669780751 [1,0,0,1,0,0|1,0,1]=4 2507 B11R2.1261 C1COC2(C1)CCNCC2 MCULE-2773703965 [1,0,0,1,0,0|1,0,1]=4 2508 B11R2.10 O=C1C=C2CCCCC2C1 MCULE-4374730563 [0,0,0,1,1,0|1,0,1]=4 2509 B11R2.10 O=C1CC2CCCCN2N1 MCULE-9925271162 [0,0,0,1,1,0|2,0,0]=4 2510 B11R2.10 O=C1NC2CCNCC2O1 MCULE-5226985806 [0,0,0,1,1,0|2,0,0]=4 2511 B11R2.10 O=C1NC2CCNCC2O1 MCULE-7291987964 [0,0,0,1,1,0|2,0,0]=4 2512 B11R2.10 O=C1NC2CNCCC2O1 MCULE-3220248267 [0,0,0,1,1,0|2,0,0]=4 2513 B11R2.10 O=C1NC2CNCCC2O1 MCULE-8049381990 [0,0,0,1,1,0|2,0,0]=4 2514 B11R2.10 O=C1N[C@H]2CNCC[C@H]2O1 MCULE-5763487129 [0,0,0,1,1,0|2,0,0]=4 2515 B11R2.10 O=C1N[C@H]2CNCC[C@H]2O1 MCULE-7765284819 [0,0,0,1,1,0|2,0,0]=4 2516 B11R2.10 O=C1OC2CCCCC2O1 MCULE-7459022606 [0,0,0,1,1,0|1,0,0]=3 2517 B11R2.10 [C@@H]12CNCC[C@@H]1CC(=O)N2 MCULE-3161369201 [0,0,0,1,1,0|2,0,0]=4 2518 B11R2.10 [C@@H]12CNCC[C@@H]1CC(=O)N2 MCULE-5515197825 [0,0,0,1,1,0|2,0,0]=4 2519 B11R2.10 [C@H]12CNCC[C@H]1OC(=O)N2 MCULE-8841468329 [0,0,0,1,1,0|2,0,0]=4 2520 B11R2.10 [C@H]12CNCC[C@H]1OC(=O)N2 MCULE-9597858572 [0,0,0,1,1,0|2,0,0]=4 2521 B11R2.433 O=C1CC2CCC(N1)CN2 MCULE-5505959202 [0,0,0,1,1,0|2,0,0]=4 2522 B11R2.433 O=C1CC2CCC(N1)CN2 MCULE-5626978495 [0,0,0,1,1,0|2,0,0]=4 2523 B11R2.433 O=C1CC2CCN(C1)CC2 MCULE-7595784075 [0,0,0,1,1,0|2,0,0]=4 2524 B11R2.433 O=C1CN2CCC(N1)CC2 MCULE-5080358376 [0,0,0,1,1,0|2,0,0]=4 2525 B11R2.508 CC1(CC2CCC1CC2)O MCULE-1647581906 [0,0,0,1,1,0|1,0,1]=4 2526 B11R2.678 O=C1CC2CCCC(C1)C2 MCULE-7773766432 [0,0,0,1,1,0|1,0,0]=3 2527 B11R2.678 O=C1CC2CCCC(C1)N2 MCULE-8791479520 [0,0,0,1,1,0|2,0,0]=4 2528 B11R2.678 O=C1CC2CCCC(C1)N2 MCULE-9249374157 [0,0,0,1,1,0|2,0,0]=4 2529 B11R2.678 O=C1CC2CCCC(C1)S2 MCULE-3712568052 [0,0,0,1,1,0|2,0,0]=4 2530 B11R2.678 O=C1CC2CCCN(C1)C2 MCULE-2221110725 [0,0,0,1,1,0|2,0,0]=4 2531 B11R2.678 [C@@H]12CCC[C@@H](N1)CC(=O)C2 MCULE-2811113808 [0,0,0,1,1,0|2,0,0]=4 2532 B11R2.678 [C@@H]12CCC[C@@H](N1)CC(=O)C2 MCULE-3196036946 [0,0,0,1,1,0|2,0,0]=4 2533 B11R2.678 [C@H]12CCC[C@H](C1)NC(=O)O2 MCULE-1098666712 [0,0,0,1,1,0|1,0,0]=3 2534 B11R2.678 [C@H]12CCC[C@H](C1)OC(=O)N2 MCULE-2754928602 [0,0,0,1,1,0|1,0,0]=3 2535 B11R2.703 O=C1CC2(C1)CCCCC2 MCULE-1618832241 [0,0,0,1,1,0|1,0,0]=3 2536 B11R2.703 O=C1CC2(C1)CCCNC2 MCULE-7243873915 [0,0,0,1,1,0|2,0,0]=4 2537 B11R2.703 O=C1CC2(C1)CCCNC2 MCULE-9850053819 [0,0,0,1,1,0|2,0,0]=4 2538 B11R2.703 O=C1CC2(C1)CCNCC2 MCULE-4954015931 [0,0,0,1,1,0|2,0,0]=4 2539 B11R2.703 O=C1CC2(C1)CCNCC2 MCULE-9511762080 [0,0,0,1,1,0|2,0,0]=4 2540 B11R2.703 O=C1CC2(C1)CCOCC2 MCULE-7539097215 [0,0,0,1,1,0|2,0,0]=4 2541 B11R2.703 O=C1CC2(N1)CCCCC2 MCULE-2086106260 [0,0,0,1,1,0|1,0,0]=3 2542 B11R2.703 O=C1CC2(N1)CCCNC2 MCULE-8609664830 [0,0,0,1,1,0|2,0,0]=4 2543 B11R2.703 O=C1CC2(N1)CCNCC2 MCULE-3433036150 [0,0,0,1,1,0|2,0,0]=4 2544 B11R2.703 O=C1CC2(N1)CCOCC2 MCULE-1311954635 [0,0,0,1,1,0|2,0,0]=4 2545 B11R2.703 O=C1C[C@@]2(N1)CCCNC2 MCULE-3056977774 [0,0,0,1,1,0|2,0,0]=4 2546 B11R2.824 O=C(O)C1C2CCC1NC2 MCULE-5267201254 [0,0,0,1,1,0|1,0,0]=3 2547 B11R2.824 O=C(O)C1C2CCC1NC2 MCULE-8256228320 [0,0,0,1,1,0|1,0,0]=3 2548 B11R2.824 O=C(O)C1C2CCN1CC2 MCULE-1490891130 [0,0,0,1,1,0|1,0,0]=3 2549 B11R2.824 O=C(O)C1C2CCN1CC2 MCULE-5536299146 [0,0,0,1,1,0|1,0,0]=3 2550 B11R2.824 O=C(O)[C@H]1[C@@H]2CC[C@H]1CN2 MCULE-7339799108 [0,0,0,1,1,0|1,0,0]=3 2551 B11R2.824 O=C(O)[C@H]1[C@@H]2CC[C@H]1CN2 MCULE-9199699839 [0,0,0,1,1,0|1,0,0]=3 2552 B11R2.824 [C@H]12CC[C@H]([C@H]1C(=O)O)CN2 MCULE-3123155349 [0,0,0,1,1,0|1,0,0]=3 2553 B11R2.824 [C@H]12CC[C@H]([C@H]1C(=O)O)CN2 MCULE-3672711458 [0,0,0,1,1,0|1,0,0]=3 2554 B11R2.860 O=C(O)CC1C2C1CNC2 MCULE-1601875469 [0,0,0,1,1,0|1,0,0]=3 2555 B11R2.860 O=C(O)CC1C2C1COC2 MCULE-9894739276 [0,0,0,1,1,0|1,0,0]=3 2556 B11R2.860 [C@@H]12COC[C@@H]1[C@H]2CC(=O)O MCULE-5737043736 [0,0,0,1,1,0|1,0,0]=3 2557 B11R2.932 O=C(O)CC1CCC2C1C2 MCULE-5939746375 [0,0,0,1,1,0|0,0,0]=2 2558 B11R2.1824 O=C(O)C1C2CNCC1C2 MCULE-3152609545 [0,0,0,1,1,0|1,0,0]=3 2559 B11R2.1824 O=C(O)C1C2CNCC1C2 MCULE-8515280205 [0,0,0,1,1,0|1,0,0]=3 2560 B11R2.1852 O=C(O)C1C2C1CCCC2 MCULE-2502533102 [0,0,0,1,1,0|0,0,0]=2 2561 B11R2.1852 O=C(O)C1C2C1COCC2 MCULE-6954766584 [0,0,0,1,1,0|1,0,0]=3 2562 B11R2.1852 O=C(O)C1C2C1OCCO2 MCULE-7832629497 [0,0,0,1,1,0|2,0,0]=4 2563 B11R2.1852 O=C(O)[C@@H]1[C@@H]2[C@H]1CCCC2 MCULE-2721847322 [0,0,0,1,1,0|0,0,0]=2 2564 B11R2.1852 [C@@H]12COCC[C@@H]1C2C(=O)O MCULE-9430309964 [0,0,0,1,1,0|1,0,0]=3 2565 B11R2.11 O=C1CC(C1)C2CCCC2 MCULE-4592925432 [0,0,0,1,1,0|1,0,0]=3 2566 B11R2.36 O=C1CCC2CNCC2C1 MCULE-9246232169 [0,0,0,1,1,0|2,0,0]=4 2567 B11R2.36 O=C1CCC2CNCC2N1 MCULE-9967452646 [0,0,0,1,1,0|2,0,0]=4 2568 B11R2.36 O=C1CCN2CCCC2C1 MCULE-1232534882 [0,0,0,1,1,0|2,0,0]=4 2569 B11R2.36 O=C1CNC2CCCC2O1 MCULE-1521022657 [0,0,0,1,1,0|1,0,0]=3 2570 B11R2.36 OC1CCC2CCCC2C1 MCULE-2299998001 [0,0,0,1,1,0|1,0,1]=4 2571 B11R2.141 O=C(O)C1CC12CCCC2 MCULE-6285352175 [0,0,0,1,1,0|0,0,0]=2 2572 B11R2.141 O=C(O)C1CC12CCNC2 MCULE-2677072658 [0,0,0,1,1,0|1,0,0]=3 2573 B11R2.141 O=C(O)C1CC12CCNC2 MCULE-5736595675 [0,0,0,1,1,0|1,0,0]=3 2574 B11R2.141 O=C(O)C1CC12CCOC2 MCULE-7542505431 [0,0,0,1,1,0|1,0,0]=3 2575 B11R2.141 O=C([O-])C1OC12CCCC2 MCULE-8368817721 [0,0,0,1,1,0|1,0,1]=4 2576 B11R2.141 O=C([O-])C1OC12CCCC2 MCULE-8669748315 [0,0,0,1,1,0|1,0,1]=4 2577 B11R2.748 O=C1CC2(CCCC2)CN1 MCULE-6242340172 [0,0,0,1,1,0|2,0,0]=4 2578 B11R2.748 O=C1CCC2(C1)CCCC2 MCULE-3408143164 [0,0,0,1,1,0|1,0,0]=3 2579 B11R2.748 O=C1CCC2(N1)CCNC2 MCULE-1787386990 [0,0,0,1,1,0|2,0,0]=4 2580 B11R2.748 O=C1CCC2(N1)CCNC2 MCULE-4143393012 [0,0,0,1,1,0|2,0,0]=4 2581 B11R2.748 O=C1CCC2(N1)CCNC2 MCULE-6110968798 [0,0,0,1,1,0|2,0,0]=4 2582 B11R2.748 O=C1CC[C@@]2(N1)CCNC2 MCULE-5670731788 [0,0,0,1,1,0|2,0,0]=4 2583 B11R2.748 O=C1CC[C@@]2(N1)CCNC2 MCULE-6310141151 [0,0,0,1,1,0|2,0,0]=4 2584 B11R2.748 O=C1COC2(C1)CCCC2 MCULE-7817661622 [0,0,0,1,1,0|2,0,0]=4 2585 B11R2.748 O=C1CSC2(N1)CCCC2 MCULE-8617766460 [0,0,0,1,1,0|2,0,0]=4 2586 B11R2.748 O=C1NC2(CCCC2)CO1 MCULE-5504605812 [0,0,0,1,1,0|2,0,0]=4 2587 B11R2.748 O=C1NCC2(O1)CCCC2 MCULE-5920595343 [0,0,0,1,1,0|1,0,0]=3 2588 B11R2.748 O=C1NCC2(O1)CCNC2 MCULE-4949338698 [0,0,0,1,1,0|2,0,0]=4 2589 B11R2.748 O=C1NCC2(O1)CCNC2 MCULE-5321558083 [0,0,0,1,1,0|2,0,0]=4 2590 B11R2.748 O=C1NC[C@@]2(O1)CCNC2 MCULE-2757060689 [0,0,0,1,1,0|2,0,0]=4 2591 B11R2.748 O=C1NC[C@]2(O1)CCNC2 MCULE-2045429037 [0,0,0,1,1,0|2,0,0]=4 2592 B11R2.814 O=C(O)C1CC2C1CCC2 MCULE-6814629609 [0,0,0,1,1,0|0,0,0]=2 2593 B11R2.845 C1(CC2CCN1C2)C(=O)O MCULE-3481999924 [0,0,0,1,1,0|1,0,0]=3 2594 B11R2.845 C1(CC2CCN1C2)C(=O)O MCULE-9084013070 [0,0,0,1,1,0|1,0,0]=3 2595 B11R2.845 CC(=O)C1CC2CCC1C2 MCULE-7085802450 [0,0,0,1,1,0|1,0,0]=3 2596 B11R2.845 CC(=O)C1CC2CCC1O2 MCULE-7697954858 [0,0,0,1,1,0|2,0,0]=4 2597 B11R2.845 CC(O)C1CC2CCC1C2 MCULE-1136492315 [0,0,0,1,1,0|1,0,1]=4 2598 B11R2.845 NC(=O)C1NC2CCC1C2 MCULE-7224845065 [0,0,0,1,1,0|2,0,0]=4 2599 B11R2.845 O=C(Cl)C1CC2CCC1C2 MCULE-7584777609 [0,0,0,1,1,0|1,0,0]=3 2600 B11R2.845 O=C(Cl)N1CC2CCC1C2 MCULE-9141556903 [0,0,0,1,1,0|2,0,0]=4 2601 B11R2.845 O=C(O)C1CC2C=CC1C2 MCULE-2570487264 [0,0,0,1,1,0|0,0,2]=4 2602 B11R2.845 O=C(O)C1CC2CCC1C2 MCULE-2105378214 [0,0,0,1,1,0|0,0,0]=2 2603 B11R2.845 O=C(O)C1CC2CCC1C2 MCULE-5033425758 [0,0,0,1,1,0|0,0,0]=2 2604 B11R2.845 O=C(O)C1CC2CCC1N2 MCULE-3189710002 [0,0,0,1,1,0|1,0,0]=3 2605 B11R2.845 O=C(O)C1CC2CCC1N2 MCULE-8256813957 [0,0,0,1,1,0|1,0,0]=3 2606 B11R2.845 O=C(O)C1CC2CCC1N2 MCULE-8443317854 [0,0,0,1,1,0|1,0,0]=3 2607 B11R2.845 O=C(O)C1CC2CCC1O2 MCULE-9965391385 [0,0,0,1,1,0|1,0,0]=3 2608 B11R2.845 O=C(O)C1CC2CNC1C2 MCULE-4741023802 [0,0,0,1,1,0|1,0,0]=3 2609 B11R2.845 O=C(O)C1CC2CNC1C2 MCULE-8094602403 [0,0,0,1,1,0|1,0,0]=3 2610 B11R2.845 O=C(O)C1C[C@@H]2C=C[C@H]1C2 MCULE-4081139324 [0,0,0,1,1,0|0,0,2]=4 2611 B11R2.845 O=C(O)C1NC2CCC1C2 MCULE-2419483992 [0,0,0,1,1,0|1,0,0]=3 2612 B11R2.845 O=C(O)C1NC2CCC1C2 MCULE-4216750988 [0,0,0,1,1,0|1,0,0]=3 2613 B11R2.845 O=C(O)C1NC2CCC1C2 MCULE-7576433397 [0,0,0,1,1,0|1,0,0]=3 2614 B11R2.845 O=C(O)[C@@H]1C[C@@H]2C=C[C@H]1C2 MCULE-5648526356 [0,0,0,1,1,0|0,0,2]=4 2615 B11R2.845 O=C(O)[C@@H]1C[C@@H]2C=C[C@H]1C2 MCULE-7954090600 [0,0,0,1,1,0|0,0,2]=4 2616 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 MCULE-6313349669 [0,0,0,1,1,0|1,0,0]=3 2617 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 MCULE-3955948018 [0,0,0,1,1,0|1,0,0]=3 2618 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 MCULE-8797585481 [0,0,0,1,1,0|1,0,0]=3 2619 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@H]1O2 MCULE-4412449728 [0,0,0,1,1,0|1,0,0]=3 2620 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@@H]1C2 MCULE-1749677274 [0,0,0,1,1,0|1,0,0]=3 2621 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@@H]1C2 MCULE-6361507980 [0,0,0,1,1,0|1,0,0]=3 2622 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@H]1C2 MCULE-8988709359 [0,0,0,1,1,0|1,0,0]=3 2623 B11R2.845 O=C(O)[C@H]1C[C@@H]2C=C[C@H]1C2 MCULE-8288835160 [0,0,0,1,1,0|0,0,2]=4 2624 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1O2 MCULE-5321903258 [0,0,0,1,1,0|1,0,0]=3 2625 B11R2.845 O=C(O)[C@H]1C[C@H]2C=C[C@@H]1C2 MCULE-1850588088 [0,0,0,1,1,0|0,0,2]=4 2626 B11R2.845 O=C(O)[C@H]1C[C@H]2CCN1C2 MCULE-5021740705 [0,0,0,1,1,0|1,0,0]=3 2627 B11R2.845 O=C(O)[C@H]1C[C@H]2CCN1C2 MCULE-5485847471 [0,0,0,1,1,0|1,0,0]=3 2628 B11R2.845 O=C(O)[C@H]1C[C@H]2CCN1C2 MCULE-9168070395 [0,0,0,1,1,0|1,0,0]=3 2629 B11R2.845 O=C(O)[C@H]1C[C@H]2CCN1C2 MCULE-9522296046 [0,0,0,1,1,0|1,0,0]=3 2630 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 MCULE-4397167204 [0,0,0,1,1,0|0,0,0]=2 2631 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1N2 MCULE-6144728165 [0,0,0,1,1,0|1,0,0]=3 2632 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1N2 MCULE-7927159067 [0,0,0,1,1,0|1,0,0]=3 2633 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@H]1O2 MCULE-4984104670 [0,0,0,1,1,0|1,0,0]=3 2634 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 MCULE-5294641154 [0,0,0,1,1,0|1,0,0]=3 2635 B11R2.845 [C@@H]12C=C[C@@H](C1)C(C2)C(=O)O MCULE-5511441102 [0,0,0,1,1,0|0,0,2]=4 2636 B11R2.845 [C@@H]12C=C[C@@H](C1)[C@@H](C2)C(=O)O MCULE-5677861178 [0,0,0,1,1,0|0,0,2]=4 2637 B11R2.845 [C@@H]12C=C[C@@H](C1)[C@H](C2)C(=O)O MCULE-1857694923 [0,0,0,1,1,0|0,0,2]=4 2638 B11R2.845 [C@@H]12CC[C@@H](C1)C(C2)C(=O)O MCULE-7685177551 [0,0,0,1,1,0|0,0,0]=2 2639 B11R2.845 [C@@H]12CC[C@@H](C1)C(C2)C(=O)O MCULE-9283430685 [0,0,0,1,1,0|0,0,0]=2 2640 B11R2.845 [C@@H]12CC[C@@H](N1)C[C@@H]2C(=O)O MCULE-1580122090 [0,0,0,1,1,0|1,0,0]=3 2641 B11R2.845 [C@@H]12CC[C@@H](N1)C[C@@H]2C(=O)O MCULE-2737672800 [0,0,0,1,1,0|1,0,0]=3 2642 B11R2.845 [C@@H]12CC[C@@H](O1)[C@@H](C2)C(=O)O MCULE-7503285059 [0,0,0,1,1,0|1,0,0]=3 2643 B11R2.845 [C@@H]12CC[C@@H](O1)[C@H](C2)C(=O)O MCULE-4865345596 [0,0,0,1,1,0|1,0,0]=3 2644 B11R2.845 [C@@H]12CC[C@H](C1)[C@H](N2)C(=O)O MCULE-2373068137 [0,0,0,1,1,0|1,0,0]=3 2645 B11R2.845 [C@H]12CCN(C1)[C@@H](C2)C(=O)O MCULE-2799771881 [0,0,0,1,1,0|1,0,0]=3 2646 B11R2.845 [C@H]12CCN(C1)[C@@H](C2)C(=O)O MCULE-9522170914 [0,0,0,1,1,0|1,0,0]=3 2647 B11R2.845 [C@H]12CC[C@H](C1)C(C2)C(=O)C MCULE-5860436538 [0,0,0,1,1,0|1,0,0]=3 2648 B11R2.845 [C@H]12CC[C@H](C1)C(C2)C(=O)C MCULE-7439214349 [0,0,0,1,1,0|1,0,0]=3 2649 B11R2.845 [C@H]12CC[C@H](C1)C(N2)C(=O)N MCULE-5892501301 [0,0,0,1,1,0|2,0,0]=4 2650 B11R2.845 [C@H]12CC[C@H](C1)N[C@@H]2C(=O)O MCULE-2807014544 [0,0,0,1,1,0|1,0,0]=3 2651 B11R2.845 [C@H]12CC[C@H](C1)N[C@@H]2C(=O)O MCULE-8789224031 [0,0,0,1,1,0|1,0,0]=3 2652 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](C2)C(=O)O MCULE-5848404845 [0,0,0,1,1,0|0,0,0]=2 2653 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](C2)C(=O)[O-] MCULE-3276957469 [0,0,0,1,1,0|0,0,1]=3 2654 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](N2)C(=O)O MCULE-6558374948 [0,0,0,1,1,0|1,0,0]=3 2655 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](N2)C(=O)O MCULE-6979068312 [0,0,0,1,1,0|1,0,0]=3 2656 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](N2)C(=O)O MCULE-7785103775 [0,0,0,1,1,0|1,0,0]=3 2657 B11R2.845 [C@H]12CC[C@H](C1)[C@@H](N2)C(=O)O MCULE-9975397997 [0,0,0,1,1,0|1,0,0]=3 2658 B13R2.10 O=C1CC(CN1)C2CCCCC2 MCULE-5365111775 [0,0,0,1,0,1|1,0,0]=3 2659 B13R2.10 O=C1CC(CN1)C2CCCNC2 MCULE-7052622833 [0,0,0,1,0,1|2,0,0]=4 2660 B13R2.10 O=C1CC(CN1)C2CCNCC2 MCULE-3195911018 [0,0,0,1,0,1|2,0,0]=4 2661 B13R2.10 O=C1NC(CO1)C2CCCCC2 MCULE-5694957688 [0,0,0,1,0,1|1,0,0]=3 2662 B13R2.10 O=C1NC(CO1)C2CCNCC2 MCULE-7591263219 [0,0,0,1,0,1|2,0,0]=4 2663 B13R2.10 O=C1NC(CO1)C2CCNCC2 MCULE-8297199280 [0,0,0,1,0,1|2,0,0]=4 2664 B13R2.10 O=C1NCC(O1)C2CCNCC2 MCULE-4728283043 [0,0,0,1,0,1|1,0,0]=3 2665 B13R2.10 O=C1NCC(O1)C2CCNCC2 MCULE-7450059292 [0,0,0,1,0,1|1,0,0]=3 2666 B13R2.10 OC1CNC(C1)C2CCCCC2 MCULE-2966318307 [0,0,0,1,0,1|1,0,1]=4 2667 B13R2.72 O=C(O)C1=NOC2C1CCCC2 MCULE-3624849413 [0,0,0,1,0,1|1,0,1]=4 2668 B13R2.72 O=C(O)C1=NO[C@@H]2[C@H]1CCCC2 MCULE-6950036111 [0,0,0,1,0,1|1,0,1]=4 2669 B13R2.72 O=C(O)C1CCC2N1CCCC2 MCULE-4118834395 [0,0,0,1,0,1|1,0,0]=3 2670 B13R2.72 O=C(O)C1CCC2N1CCCC2 MCULE-4612203082 [0,0,0,1,0,1|1,0,0]=3 2671 B13R2.72 O=C(O)C1COC2C1CCCC2 MCULE-8553023240 [0,0,0,1,0,1|0,0,0]=2 2672 B13R2.423 NC(=O)C1CC1C2CCCCC2 MCULE-9934089691 [0,0,0,1,0,1|1,0,0]=3 2673 B13R2.423 NC(=O)C1CC1C2CCNCC2 MCULE-4045432698 [0,0,0,1,0,1|2,0,0]=4 2674 B13R2.423 NC(=O)C1CC1C2CCOCC2 MCULE-2242722776 [0,0,0,1,0,1|2,0,0]=4 2675 B13R2.423 O=C(O)C1CC1C2CCCCC2 MCULE-5173796359 [0,0,0,1,0,1|0,0,0]=2 2676 B13R2.423 O=C(O)C1CC1C2CCOCC2 MCULE-6102482063 [0,0,0,1,0,1|1,0,0]=3 2677 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2CCOCC2 MCULE-9221698682 [0,0,0,1,0,1|1,0,0]=3 2678 B13R2.423 OB(O)[C@H]1C[C@@H]1C2CCCCC2 MCULE-1201644347 [0,0,0,1,0,1|1,0,1]=4 2679 B13R2.437 O=C(O)C1CCC12CCOCC2 MCULE-3586385235 [0,0,0,1,0,1|1,0,0]=3 2680 B13R2.437 O=C(O)C1NCC12CCOCC2 MCULE-3634033812 [0,0,0,1,0,1|1,0,0]=3 2681 B13R2.437 O=C(O)C1NCC12CCOCC2 MCULE-4318170624 [0,0,0,1,0,1|1,0,0]=3 2682 B13R2.1264 O=C(O)CCN1C2CCC1CC2 MCULE-4772261835 [0,0,0,1,0,1|0,0,0]=2 2683 B13R2.1287 CC(=O)OC1CN2CCC1CC2 MCULE-1074801685 [0,0,0,1,0,1|2,0,0]=4 2684 B13R2.1287 CC(=O)OC1CN2CCC1CC2 MCULE-4662032646 [0,0,0,1,0,1|2,0,0]=4 2685 B13R2.1287 CC(=O)OC1CN2CCC1CC2 MCULE-4689367855 [0,0,0,1,0,1|2,0,0]=4 2686 B13R2.1287 CC(=O)OC1CN2CCC1CC2 MCULE-6533326548 [0,0,0,1,0,1|2,0,0]=4 2687 B13R2.1287 O=C(O)CC1CN2CCC1CC2 MCULE-2186174933 [0,0,0,1,0,1|1,0,0]=3 2688 B13R2.1287 O=C(O)CC1CN2CCC1CC2 MCULE-8087514480 [0,0,0,1,0,1|1,0,0]=3 2689 B13R2.1287 O=C(O)C[C@H]1CN2CCC1CC2 MCULE-4997766259 [0,0,0,1,0,1|1,0,0]=3 2690 B13R2.1287 O=C(O)C[C@H]1CN2CCC1CC2 MCULE-5057533567 [0,0,0,1,0,1|1,0,0]=3 2691 B13R2.3122 O=S1(=O)CCNC2C1CCCC2 MCULE-4588460299 [0,0,0,1,0,1|1,0,1]=4 2692 B13R2.11128 CC1CCOC2(O1)CCCCC2 MCULE-9654989110 [0,0,0,1,0,1|1,0,1]=4 2693 B13R2.11128 CC1CNCC2(O1)CCCCC2 MCULE-9990872194 [0,0,0,1,0,1|1,0,1]=4 2694 B13R2.11128 O=C1CC2(CCNCC2)CCN1 MCULE-1443203017 [0,0,0,1,0,1|2,0,0]=4 2695 B13R2.11128 O=C1CC2(CCNCC2)CCN1 MCULE-3104946449 [0,0,0,1,0,1|2,0,0]=4 2696 B13R2.11128 O=C1CC2(CCNCC2)CCN1 MCULE-8288660862 [0,0,0,1,0,1|2,0,0]=4 2697 B13R2.11128 O=C1CCCC2(C1)CCCCC2 MCULE-3281261596 [0,0,0,1,0,1|1,0,0]=3 2698 B13R2.11128 O=C1CCCC2(C1)CCOCC2 MCULE-7735305722 [0,0,0,1,0,1|2,0,0]=4 2699 B13R2.11128 O=C1CCCC2(N1)CCNCC2 MCULE-6533567256 [0,0,0,1,0,1|2,0,0]=4 2700 B13R2.11128 O=C1CCCC2(N1)CCNCC2 MCULE-8865278284 [0,0,0,1,0,1|2,0,0]=4 2701 B13R2.11128 O=C1CCNC2(C1)CCCCC2 MCULE-3217120492 [0,0,0,1,0,1|1,0,0]=3 2702 B13R2.11128 O=C1CCNC2(C1)CCCCC2 MCULE-8293573385 [0,0,0,1,0,1|1,0,0]=3 2703 B13R2.11128 O=C1CCOC2(C1)CCCCC2 MCULE-1198662310 [0,0,0,1,0,1|1,0,0]=3 2704 B13R2.11128 O=C1CCOC2(C1)CCOCC2 MCULE-7918544744 [0,0,0,1,0,1|2,0,0]=4 2705 B13R2.11128 O=C1COCC2(N1)CCNCC2 MCULE-3892508669 [0,0,0,1,0,1|2,0,0]=4 2706 B13R2.11128 O=C1COCC2(N1)CCNCC2 MCULE-5328112259 [0,0,0,1,0,1|2,0,0]=4 2707 B13R2.11128 O=C1NC2(CCCNC2)CCO1 MCULE-4454658794 [0,0,0,1,0,1|2,0,0]=4 2708 B13R2.11128 O=C1NC2(CCNCC2)CCO1 MCULE-1167512176 [0,0,0,1,0,1|2,0,0]=4 2709 B13R2.11128 O=C1NCCC2(O1)CCNCC2 MCULE-8042840058 [0,0,0,1,0,1|1,0,0]=3 2710 B13R2.11128 O=C1NCCC2(O1)CCNCC2 MCULE-9288337261 [0,0,0,1,0,1|1,0,0]=3 2711 B13R2.689 O=C(O)CC1C2CCC1CNC2 MCULE-2900309229 [0,0,0,1,0,1|0,0,0]=2 2712 B13R2.689 O=C(O)CC1C2CCC1CNC2 MCULE-9834739088 [0,0,0,1,0,1|0,0,0]=2 2713 B13R2.13132 O=C1CC2(CCCCCC2)CN1 MCULE-1694313799 [0,0,0,1,0,1|2,0,0]=4 2714 B13R2.13132 O=C1CSC2(N1)CCCCCC2 MCULE-4430417895 [0,0,0,1,0,1|2,0,0]=4 2715 B13R2.13132 O=C1NCC2(O1)CCCNCC2 MCULE-6116897292 [0,0,0,1,0,1|1,0,0]=3 2716 B13R2.5062 CC1CCC2(CC1)CC2C(=O)O MCULE-9658695246 [0,1,0,1,0,0|0,0,0]=2 2717 B13R2.5062 O=C1CCC2(CC1)CC2C(=O)O MCULE-3033614511 [0,1,0,1,0,0|0,0,1]=3 2718 B13R2.5120 CC1CCC2(CC1)COC(=O)N2 MCULE-6600720918 [0,1,0,1,0,0|2,0,0]=4 2719 B13R2.5120 NC1CCC2(CCC(=O)N2)CC1 MCULE-2687446859 [0,1,0,1,0,0|1,0,0]=3 2720 B13R2.5120 NC1CCC2(CCC(=O)N2)CC1 MCULE-4592980502 [0,1,0,1,0,0|1,0,0]=3 2721 B13R2.5120 NC1CCC2(CCC(=O)N2)CC1 MCULE-7423878930 [0,1,0,1,0,0|1,0,0]=3 2722 B13R2.5120 NC1CCC2(CCC(=O)N2)CC1 MCULE-7608239166 [0,1,0,1,0,0|1,0,0]=3 2723 B13R2.5120 NC1CCC2(CCC(=O)N2)CC1 MCULE-8957037819 [0,1,0,1,0,0|1,0,0]=3 2724 B13R2.5120 NC1CCC2(CCC(=O)N2)CC1 MCULE-9615999085 [0,1,0,1,0,0|1,0,0]=3 2725 B13R2.5120 O=C1CCC2(CC1)CCC(=O)N2 MCULE-3127931682 [0,1,0,1,0,0|1,0,1]=4 2726 B13R2.5120 O=C1CCC2(N1)CCC(CC2)O MCULE-8680540652 [0,1,0,1,0,0|1,0,0]=3 2727 B13R2.32 CN1C(=O)CCC2C1CCNC2 MCULE-1193131747 [0,1,0,1,0,0|2,0,0]=4 2728 B13R2.32 CN1C(=O)CCC2C1CCNC2 MCULE-4231550993 [0,1,0,1,0,0|2,0,0]=4 2729 B13R2.32 CN1C(=O)CC[C@@H]2[C@H]1CCNC2 MCULE-1423832232 [0,1,0,1,0,0|2,0,0]=4 2730 B13R2.32 CN1C(=O)CC[C@@H]2[C@H]1CCNC2 MCULE-3424380637 [0,1,0,1,0,0|2,0,0]=4 2731 B13R2.32 CN1C(=O)CC[C@H]2[C@@H]1CCNC2 MCULE-9042118388 [0,1,0,1,0,0|2,0,0]=4 2732 B13R2.32 CN1C(=O)CC[C@H]2[C@H]1CCNC2 MCULE-1139873395 [0,1,0,1,0,0|2,0,0]=4 2733 B13R2.32 CN1C(=O)CC[C@H]2[C@H]1CCNC2 MCULE-2163393274 [0,1,0,1,0,0|2,0,0]=4 2734 B13R2.32 CN1C(=O)CO[C@H]2[C@H]1CCCC2 MCULE-5690879850 [0,1,0,1,0,0|2,0,0]=4 2735 B13R2.32 [C@@H]12CCC(=O)N([C@H]1CCNC2)C MCULE-7954702833 [0,1,0,1,0,0|2,0,0]=4 2736 B13R2.32 [C@@H]12CCC(=O)N([C@H]1CCNC2)C MCULE-9752493826 [0,1,0,1,0,0|2,0,0]=4 2737 B13R2.32 [C@@H]12CCCC[C@H]1N(C(=O)CO2)C MCULE-4913694211 [0,1,0,1,0,0|2,0,0]=4 2738 B13R2.32 [C@H]12CCCC[C@@H]1N(C(=O)CO2)C MCULE-1581075018 [0,1,0,1,0,0|2,0,0]=4 2739 B13R2.32 [C@H]12CCCC[C@@H]1N(C(=O)CO2)C MCULE-1754746136 [0,1,0,1,0,0|2,0,0]=4 2740 B13R2.32 [C@H]12CCCC[C@@H]1N(C(=O)CO2)C MCULE-2790991716 [0,1,0,1,0,0|2,0,0]=4 2741 B13R2.32 [C@H]12CCCC[C@@H]1N(C(=O)CO2)C MCULE-9168589558 [0,1,0,1,0,0|2,0,0]=4 2742 B13R2.528 COC(=O)C1CC12CCCNC2 MCULE-4880819853 [0,1,0,1,0,0|1,0,0]=3 2743 B13R2.528 COC(=O)C1CC12CCNCC2 MCULE-3602070789 [0,1,0,1,0,0|1,0,0]=3 2744 B13R2.528 COC(=O)C1CC12CCNCC2 MCULE-9199631824 [0,1,0,1,0,0|1,0,0]=3 2745 B13R2.528 COC(=O)C1OC12CCCCC2 MCULE-6605255919 [0,1,0,1,0,0|1,0,0]=3 2746 B13R2.528 NNC(=O)C1CC12CCOCC2 MCULE-8276812722 [0,1,0,1,0,0|2,0,0]=4 2747 B13R2.1153 COC(=O)C1CC2CCC1NC2 MCULE-1811525001 [0,1,0,1,0,0|1,0,0]=3 2748 B13R2.1153 COC(=O)C1CC2CCC1NC2 MCULE-3686007851 [0,1,0,1,0,0|1,0,0]=3 2749 B13R2.1153 COC(=O)C1CC2CCN1CC2 MCULE-3478107450 [0,1,0,1,0,0|1,0,0]=3 2750 B13R2.1153 COC(=O)C1CC2CCN1CC2 MCULE-7904488743 [0,1,0,1,0,0|1,0,0]=3 2751 B13R2.1153 COC(=O)C1CN2CCC1CC2 MCULE-1982205676 [0,1,0,1,0,0|1,0,0]=3 2752 B13R2.1153 COC(=O)C1CN2CCN1CC2 MCULE-6300510864 [0,1,0,1,0,0|2,0,0]=4 2753 B13R2.1153 COC(=O)C1C[NH+]2CCC1CC2 MCULE-9409520152 [0,1,0,1,0,0|1,0,0]=3 2754 B13R2.1153 [C@@H]12CC[C@@H](CN1)C[C@@H]2C(=O)OC MCULE-8234486086 [0,1,0,1,0,0|1,0,0]=3 2755 B13R2.5037 O=C1C=CC2(CCCCC2)CC1 MCULE-3926742898 [0,1,0,1,0,0|1,0,0]=3 2756 B13R2.5037 O=C1C=CC2(CCOCC2)CC1 MCULE-7110389607 [0,1,0,1,0,0|2,0,0]=4 2757 B13R2.5037 O=C1CCC2(CCCCC2)CC1 MCULE-3909575496 [0,1,0,1,0,0|1,0,0]=3 2758 B13R2.5037 O=C1CCC2(CCCCO2)CC1 MCULE-8355867532 [0,1,0,1,0,0|2,0,0]=4 2759 B13R2.5037 O=C1CCC2(CCCNC2)CN1 MCULE-1083350681 [0,1,0,1,0,0|2,0,0]=4 2760 B13R2.5037 O=C1CCC2(CCCNC2)CN1 MCULE-3430424236 [0,1,0,1,0,0|2,0,0]=4 2761 B13R2.5037 O=C1CCC2(CCNCC2)CC1 MCULE-4938041141 [0,1,0,1,0,0|2,0,0]=4 2762 B13R2.5037 O=C1CCC2(CCNCC2)CC1 MCULE-7759422650 [0,1,0,1,0,0|2,0,0]=4 2763 B13R2.5037 O=C1CCC2(CCNCC2)CN1 MCULE-1487014311 [0,1,0,1,0,0|2,0,0]=4 2764 B13R2.5037 O=C1CCC2(CCNCC2)CN1 MCULE-1968787578 [0,1,0,1,0,0|2,0,0]=4 2765 B13R2.5037 O=C1CCC2(CCNCC2)CN1 MCULE-4591121928 [0,1,0,1,0,0|2,0,0]=4 2766 B13R2.5037 O=C1CCC2(CCOCC2)CC1 MCULE-7173180110 [0,1,0,1,0,0|2,0,0]=4 2767 B13R2.5037 O=C1CCC2(CCOCC2)CN1 MCULE-8267082770 [0,1,0,1,0,0|2,0,0]=4 2768 B13R2.5037 O=C1CNC2(CCCCC2)CN1 MCULE-2534440502 [0,1,0,1,0,0|2,0,0]=4 2769 B13R2.5037 O=C1COC2(CCNCC2)CN1 MCULE-1824045974 [0,1,0,1,0,0|2,0,0]=4 2770 B13R2.5037 O=C1COC2(CCNCC2)CN1 MCULE-4223141713 [0,1,0,1,0,0|2,0,0]=4 2771 B13R2.5037 O=C1COC2(CCOCC2)CN1 MCULE-1540732765 [0,1,0,1,0,0|2,0,0]=4 2772 B13R2.6482 BrCC1CCC2(O1)CCCCC2 MCULE-7277998958 [0,1,0,1,0,0|1,0,1]=4 2773 B13R2.6482 COC1=NC2(CCCCC2)CC1 MCULE-1970177886 [0,1,0,1,0,0|1,0,0]=3 2774 B13R2.6482 NCC1CCC2(O1)CCCCC2 MCULE-4755527462 [0,1,0,1,0,0|1,0,1]=4 2775 B13R2.6482 NCC1CCC2(O1)CCCCC2 MCULE-9388281812 [0,1,0,1,0,0|1,0,1]=4 2776 B13R2.6482 O=CC1COC2(O1)CCCCC2 MCULE-3368181619 [0,1,0,1,0,0|1,0,1]=4 2777 B13R2.6482 O=C[C@H]1COC2(O1)CCCCC2 MCULE-6994299872 [0,1,0,1,0,0|1,0,1]=4 2778 B13R2.6482 O=C[C@H]1COC2(O1)CCCCC2 MCULE-7391025135 [0,1,0,1,0,0|1,0,1]=4 2779 B13R2.6482 OCC1CCC2(O1)CCCCC2 MCULE-9684283428 [0,1,0,1,0,0|0,0,2]=4 2780 B13R2.13154 CN1C(=O)CCC12CCNCC2 MCULE-1600009413 [0,1,0,1,0,0|2,0,0]=4 2781 B13R2.13154 CN1C(=O)CCC12CCNCC2 MCULE-6182701363 [0,1,0,1,0,0|2,0,0]=4 2782 B13R2.13154 CN1C(=O)CCC12CCNCC2 MCULE-9177965421 [0,1,0,1,0,0|2,0,0]=4 2783 B13R2.13154 O=C1NCC2(C1O)CCOCC2 MCULE-8123775222 [0,1,0,1,0,0|2,0,0]=4 2784 B13R2.15272 COC(=O)C1NC2C1CCCC2 MCULE-7675509631 [0,1,0,1,0,0|1,0,0]=3 2785 B13R2.369 O=C1CC2CCCCC2CC1Br MCULE-1955855679 [0,1,0,1,0,0|1,0,0]=3 2786 B13R2.369 O=C1NC2CCCCC2CC1Cl MCULE-7045142671 [0,1,0,1,0,0|1,0,0]=3 2787 B13R2.369 O[C@H]1CC2CCCCC2C[C@H]1Br MCULE-9894243413 [0,1,0,1,0,0|1,0,1]=4 2788 B13R2.433 O=C(O)C1CC2CCCC(C1)N2 MCULE-2333839816 [0,1,0,1,0,0|1,0,0]=3 2789 B13R2.433 O=C(O)C1CC2CCCC(C2)C1 MCULE-4436507458 [0,1,0,1,0,0|0,0,0]=2 2790 B13R2.433 [C@H]12CCC[C@H](C1)NC(C2)C(=O)O MCULE-9676524244 [0,1,0,1,0,0|0,0,0]=2 2791 B13R2.435 NC(=O)C1CC2CCCCC2N1 MCULE-8530155593 [0,1,0,1,0,0|1,0,0]=3 2792 B13R2.435 O=C(Cl)N1C[C@H]2CCCC[C@H]2C1 MCULE-2530618262 [0,1,0,1,0,0|2,0,0]=4 2793 B13R2.435 O=C(O)C1CC2CCCCC2C1 MCULE-6091123641 [0,1,0,1,0,0|0,0,0]=2 2794 B13R2.435 O=C(O)C1CC2CCCCC2N1 MCULE-6802061208 [0,1,0,1,0,0|0,0,0]=2 2795 B13R2.435 O=C(O)C1CC2CCCCC2N1 MCULE-7004970623 [0,1,0,1,0,0|0,0,0]=2 2796 B13R2.435 O=C(O)C1CC2CCCCN2C1 MCULE-4918778870 [0,1,0,1,0,0|1,0,0]=3 2797 B13R2.435 O=C(O)C1CC2CCCCN2C1 MCULE-9726686116 [0,1,0,1,0,0|1,0,0]=3 2798 B13R2.435 O=C(O)C1C[C@@H]2CCCC[C@@H]2N1 MCULE-3462068965 [0,1,0,1,0,0|0,0,0]=2 2799 B13R2.435 O=C(O)[C@@H]1CC2CCCCC2N1 MCULE-4459302110 [0,1,0,1,0,0|0,0,0]=2 2800 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-9624120898 [0,1,0,1,0,0|0,0,0]=2 2801 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-9787261604 [0,1,0,1,0,0|0,0,0]=2 2802 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1 MCULE-3742864202 [0,1,0,1,0,0|0,0,0]=2 2803 B13R2.435 O=C(O)[C@H]1CC2CCCCC2N1 MCULE-8545435992 [0,1,0,1,0,0|0,0,0]=2 2804 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-7693154244 [0,1,0,1,0,0|0,0,0]=2 2805 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-9357986014 [0,1,0,1,0,0|0,0,0]=2 2806 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@H]2N1 MCULE-2451554101 [0,1,0,1,0,0|0,0,0]=2 2807 B13R2.435 O=C(O)[C@H]1C[C@H]2CCCC[C@H]2N1 MCULE-3470631244 [0,1,0,1,0,0|0,0,0]=2 2808 B13R2.435 [C@@H]12CCCC[C@@H]1NC(C2)C(=O)O MCULE-6709645789 [0,1,0,1,0,0|0,0,0]=2 2809 B13R2.435 [C@@H]12CCCC[C@@H]1NC(C2)C(=O)O MCULE-9456550686 [0,1,0,1,0,0|0,0,0]=2 2810 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@@H](C2)C(=O)O MCULE-1804340526 [0,1,0,1,0,0|0,0,0]=2 2811 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@@H](C2)C(=O)O MCULE-8883332709 [0,1,0,1,0,0|0,0,0]=2 2812 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@H](C2)C(=O)O MCULE-1232021530 [0,1,0,1,0,0|0,0,0]=2 2813 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@H](C2)C(=O)O MCULE-5852129906 [0,1,0,1,0,0|0,0,0]=2 2814 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@H](C2)C(=O)O MCULE-9583363610 [0,1,0,1,0,0|0,0,0]=2 2815 B13R2.435 [C@@H]12CCCC[C@H]1N[C@@H](C2)C(=O)O MCULE-5210507429 [0,1,0,1,0,0|0,0,0]=2 2816 B13R2.435 [C@H]12CCCC[C@@H]1C[C@@H](N2)C(=O)O MCULE-4005791171 [0,1,0,1,0,0|0,0,0]=2 2817 B13R2.435 [C@H]12CCCC[C@@H]1C[C@H](N2)C(=O)O MCULE-2146432887 [0,1,0,1,0,0|0,0,0]=2 2818 B13R2.435 [C@H]12CCCC[C@@H]1C[C@H](N2)C(=O)O MCULE-6796005707 [0,1,0,1,0,0|0,0,0]=2 2819 B13R2.435 [C@H]12CCCC[C@@H]1C[C@H](N2)C(=O)O MCULE-6834732208 [0,1,0,1,0,0|0,0,0]=2 2820 B13R2.435 [C@H]12CCCC[C@H]1N[C@@H](C2)C(=O)O MCULE-6455346553 [0,1,0,1,0,0|0,0,0]=2 2821 B13R2.435 [C@H]12CCCC[C@H]1N[C@@H](C2)C(=O)O MCULE-9853479694 [0,1,0,1,0,0|0,0,0]=2 2822 B13R2.435 [C@H]12CCCC[C@H]1N[C@H](C2)C(=O)O MCULE-5438862774 [0,1,0,1,0,0|0,0,0]=2 2823 B13R2.435 [C@H]12CCCC[C@H]1N[C@H](C2)C(=O)O MCULE-8630293837 [0,1,0,1,0,0|0,0,0]=2 2824 B13R2.12720 C=C1CC2(CCCCC2)OC1=O MCULE-3603081400 [0,1,0,1,0,0|0,0,1]=3 2825 B13R2.12720 CC1SC2(CCCCC2)NC1=O MCULE-4627146476 [0,1,0,1,0,0|2,0,0]=4 2826 B13R2.12720 CN1CC2(CCCNC2)OC1=O MCULE-2205730546 [0,1,0,1,0,0|2,0,0]=4 2827 B13R2.12720 CN1CC2(CCCNC2)OC1=O MCULE-8624346835 [0,1,0,1,0,0|2,0,0]=4 2828 B13R2.12720 CN1CC2(CCNCC2)OC1=O MCULE-2922649053 [0,1,0,1,0,0|2,0,0]=4 2829 B13R2.12720 CN1CC2(CCNCC2)OC1=O MCULE-4980431301 [0,1,0,1,0,0|2,0,0]=4 2830 B13R2.13740 NC(=O)C1(CN2CCC1CC2)N MCULE-5143793989 [0,1,0,1,0,0|2,0,0]=4 2831 B13R2.13740 NC1(CN2CCC1CC2)C(=O)O MCULE-8553413334 [0,1,0,1,0,0|1,0,0]=3 2832 B13R2.13968 O=C(O)C1CC2(C1)CCCCC2 MCULE-3163376531 [0,1,0,1,0,0|0,0,0]=2 2833 B13R2.13968 O=C(O)C1CC2(C1)CCNCC2 MCULE-4364979030 [0,1,0,1,0,0|1,0,0]=3 2834 B13R2.13968 O=C(O)C1CC2(C1)CCNCC2 MCULE-5695543706 [0,1,0,1,0,0|1,0,0]=3 2835 B13R2.13968 O=C(O)C1CC2(C1)CCNCC2 MCULE-6831841862 [0,1,0,1,0,0|1,0,0]=3 2836 B13R2.13968 O=C(O)C1CC2(C1)CCOCC2 MCULE-4350057824 [0,1,0,1,0,0|1,0,0]=3 2837 B13R2.4014 C=C1OC(=O)OC12CCCCC2 MCULE-9030620049 [0,1,0,1,0,0|1,0,1]=4 2838 B13R2.4014 N=C1NC(=O)OC12CCCCC2 MCULE-8205434850 [0,1,0,1,0,0|1,0,1]=4 2839 B13R2.4014 O=C1C=C(C2(O1)CCCCC2)O MCULE-3814088870 [0,1,0,1,0,0|0,0,2]=4 2840 B13R2.4014 O=C1CC(=O)C2(N1)CCCCC2 MCULE-5843132953 [0,1,0,1,0,0|1,0,1]=4 2841 B13R2.4014 O=C1NC(=O)C2(O1)CCCCC2 MCULE-3428019108 [0,1,0,1,0,0|1,0,1]=4 2842 B13R2.12024 NC1C2CCC(C1C(=O)O)CC2 MCULE-6694858857 [0,1,0,1,0,0|0,0,0]=2 2843 B13R2.12024 N[C@H]1C2CCC([C@@H]1C(=O)O)CC2 MCULE-2530686293 [0,1,0,1,0,0|0,0,0]=2 2844 B13R2.12024 N[C@H]1C2CCC([C@@H]1C(=O)O)CC2 MCULE-2945961248 [0,1,0,1,0,0|0,0,0]=2 2845 B13R2.12024 N[C@H]1C2CCC([C@@H]1C(=O)O)CC2 MCULE-6925142308 [0,1,0,1,0,0|0,0,0]=2 2846 B13R2.34 O=C1CCC2CCCCC2(O1)O MCULE-4368144116 [0,1,0,1,0,0|0,0,0]=2 2847 B13R2.3771 O=C(O)C1CC2CC1CCC2O MCULE-3718276186 [0,1,0,1,0,0|0,0,0]=2 2848 B13R2.4742 O=C1CC2CCC1CC2C(=O)O MCULE-6324277047 [0,1,0,1,0,0|0,0,1]=3 2849 B13R2.5551 CC(=O)OCC1CC2CCC1C2 MCULE-7694316868 [0,1,0,1,0,0|2,0,0]=4 2850 B13R2.5551 O=C(O)CCC1CC2CCC1C2 MCULE-4286233335 [0,1,0,1,0,0|0,0,0]=2 2851 B13R2.5551 O=C(O)CCN1CC2CCC1C2 MCULE-3732906303 [0,1,0,1,0,0|1,0,0]=3 2852 B13R2.5551 O=C(O)CCN1CC2CCC1C2 MCULE-4468193962 [0,1,0,1,0,0|1,0,0]=3 2853 B13R2.3291 O=C1CC2CC(N1)C(C2)C(=O)O MCULE-1170536631 [0,1,0,1,0,0|1,0,1]=4 2854 B13R2.11132 CC1CC2(CCO1)CC2C(=O)O MCULE-8622795562 [0,1,0,1,0,0|1,0,0]=3 2855 B13R2.8076 NS(=O)(=O)C1CC2CCC1CC2 MCULE-2188935558 [0,1,0,1,0,0|1,0,1]=4 2856 B13R2.8076 O=S(=O)(F)C1CC2CCC1CC2 MCULE-6992841254 [0,1,0,1,0,0|1,0,1]=4 2857 B13R2.5067 CC12CCCCC1=CC(=O)CC2 MCULE-5631441050 [0,1,0,1,0,0|1,0,1]=4 2858 B13R3.1970 C1CCC2CC3OC3CC2C1 MCULE-7056844144 [0,0,0,2,0,0|1,0,1]=4 2859 B13R3.4404 O=C1NC2C1C3CCC2CC3 MCULE-9501709954 [0,0,0,2,0,0|1,0,0]=3 2860 B13R3.793 O=C1OC2CC3CCC2C1C3 MCULE-5646698014 [0,0,0,2,0,0|0,0,0]=2 2861 B13R3.2866 O=C1CC2CC3CC(C2)C1C3 MCULE-1383426924 [0,0,0,2,0,0|1,0,0]=3 2862 B13R3.1122 O=C(O)C1CC2CC1C3C2C3 MCULE-6318785314 [0,0,0,2,0,0|0,0,0]=2 2863 B9R0.14 C=CC(CCC)CC(=O)O MCULE-7907267151 [0,0,1,0,1,0|0,0,2]=4 2864 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [0,0,1,0,1,0|0,0,0]=2 2865 B9R0.14 CCCC(CC)OC(=O)C MCULE-8250494331 [0,0,1,0,1,0|2,0,0]=4 2866 B9R0.14 CCCC(CC)OC(=O)Cl MCULE-1870486997 [0,0,1,0,1,0|2,0,0]=4 2867 B9R0.4 CC(CC(=O)O)NCCO MCULE-6990108869 [0,0,1,0,1,0|2,0,0]=4 2868 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [0,0,1,0,1,0|0,0,0]=2 2869 B9R0.4 CCCCC(C)OC(=O)Cl MCULE-3267128498 [0,0,1,0,1,0|2,0,0]=4 2870 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,0,1,0,1,0|1,0,0]=3 2871 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,0,1,0,1,0|1,0,0]=3 2872 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [0,0,1,0,1,0|1,0,0]=3 2873 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,0,1,0,1,0|1,0,0]=3 2874 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [0,0,1,0,1,0|0,0,0]=2 2875 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,0,1,0,1,0|1,0,0]=3 2876 B9R0.4 COCCN(C)CC(=O)O MCULE-2440763888 [0,0,1,0,1,0|2,0,0]=4 2877 B9R0.4 COCCN(C)CC(=O)O MCULE-6319676297 [0,0,1,0,1,0|2,0,0]=4 2878 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,0,1,0,1,0|2,0,0]=4 2879 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,0,1,0,1,0|2,0,0]=4 2880 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [0,0,1,0,1,0|2,0,0]=4 2881 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,0,1,0,1,0|2,0,0]=4 2882 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,0,1,0,1,0|2,0,0]=4 2883 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,0,1,0,1,0|2,0,0]=4 2884 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,0,1,0,1,0|2,0,0]=4 2885 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,0,1,0,1,0|2,0,0]=4 2886 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,0,1,0,1,0|2,0,0]=4 2887 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,0,1,0,1,0|2,0,0]=4 2888 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,0,1,0,1,0|2,0,0]=4 2889 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [0,0,1,0,1,0|2,0,0]=4 2890 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [0,0,1,0,1,0|2,0,0]=4 2891 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [0,0,1,0,1,0|2,0,0]=4 2892 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [0,0,1,0,1,0|2,0,0]=4 2893 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [0,0,1,0,1,0|2,0,0]=4 2894 B9R1.12 BrCCCC1CCCC1 MCULE-8917652864 [1,0,0,0,1,0|1,0,1]=4 2895 B9R1.12 C=CCCC1CCCN1 MCULE-2649952702 [1,0,0,0,1,0|2,0,0]=4 2896 B9R1.12 C=CCNC1CCCC1 MCULE-5260947897 [1,0,0,0,1,0|2,0,0]=4 2897 B9R1.12 C=CCNC1CCCC1 MCULE-7791450691 [1,0,0,0,1,0|2,0,0]=4 2898 B9R1.12 CNCCC1CCCC1 MCULE-1793791278 [1,0,0,0,1,0|2,0,0]=4 2899 B9R1.12 CNCCC1CCCC1 MCULE-3968080543 [1,0,0,0,1,0|2,0,0]=4 2900 B9R1.12 ClCCCC1CCCC1 MCULE-5161283359 [1,0,0,0,1,0|1,0,1]=4 2901 B9R1.12 ICCCC1CCCC1 MCULE-3866409284 [1,0,0,0,1,0|1,0,1]=4 2902 B9R1.12 NCCCC1CCCC1 MCULE-7501106700 [1,0,0,0,1,0|1,0,1]=4 2903 B9R1.12 NCCCC1CCCC1 MCULE-8651093743 [1,0,0,0,1,0|1,0,1]=4 2904 B9R1.12 O=C=NCC1CCCC1 MCULE-2979729006 [1,0,0,0,1,0|1,0,1]=4 2905 B9R1.12 O=CC=CC1CCCC1 MCULE-7317316636 [1,0,0,0,1,0|0,0,2]=4 2906 B9R1.12 O=CCCC1CCCC1 MCULE-4829140350 [1,0,0,0,1,0|0,0,0]=2 2907 B9R1.12 O=CCCC1CCCO1 MCULE-9471030052 [1,0,0,0,1,0|1,0,0]=3 2908 B9R1.12 O=CCCC1OCCO1 MCULE-2981842901 [1,0,0,0,1,0|2,0,0]=4 2909 B9R1.12 OCCCC1CCCC1 MCULE-9661108637 [1,0,0,0,1,0|0,0,1]=3 2910 B9R1.12 OCCCC1CCCN1 MCULE-4973252647 [1,0,0,0,1,0|1,0,1]=4 2911 B9R1.12 OCCCC1CCCO1 MCULE-9721808816 [1,0,0,0,1,0|1,0,1]=4 2912 B9R1.12 OCCCC1CCNC1 MCULE-4410845788 [1,0,0,0,1,0|1,0,1]=4 2913 B9R1.12 OCCCN1CCCC1 MCULE-5527047033 [1,0,0,0,1,0|1,0,1]=4 2914 B9R1.12 OCCCN1CCCC1 MCULE-6648445240 [1,0,0,0,1,0|1,0,1]=4 2915 B9R1.12 OCCNC1CCCC1 MCULE-3464126624 [1,0,0,0,1,0|1,0,1]=4 2916 B9R1.12 OCCNC1CCCC1 MCULE-4344653097 [1,0,0,0,1,0|1,0,1]=4 2917 B9R1.12 OCCOC1CCCC1 MCULE-7114927075 [1,0,0,0,1,0|1,0,1]=4 2918 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [0,0,0,0,2,0|0,0,2]=4 2919 B9R1.6 C1(CCCNC1)C(=O)N MCULE-1974021716 [0,0,0,0,2,0|2,0,0]=4 2920 B9R1.6 C1(CCCNC1)C(=O)N MCULE-3484822743 [0,0,0,0,2,0|2,0,0]=4 2921 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [0,0,0,0,2,0|1,0,0]=3 2922 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [0,0,0,0,2,0|2,0,0]=4 2923 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [0,0,0,0,2,0|2,0,0]=4 2924 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [0,0,0,0,2,0|2,0,0]=4 2925 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [0,0,0,0,2,0|2,0,0]=4 2926 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [0,0,0,0,2,0|1,0,0]=3 2927 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [0,0,0,0,2,0|2,0,0]=4 2928 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [0,0,0,0,2,0|2,0,0]=4 2929 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [0,0,0,0,2,0|2,0,0]=4 2930 B9R1.6 CC(=O)C1CCCNC1 MCULE-5048287619 [0,0,0,0,2,0|2,0,0]=4 2931 B9R1.6 CC(=O)C1CCCNC1 MCULE-7308448482 [0,0,0,0,2,0|2,0,0]=4 2932 B9R1.6 CC(=O)C1CCCOC1 MCULE-8355092375 [0,0,0,0,2,0|2,0,0]=4 2933 B9R1.6 CC(=O)C1CCNCC1 MCULE-5629644359 [0,0,0,0,2,0|2,0,0]=4 2934 B9R1.6 CC(=O)C1CCNCC1 MCULE-7994490746 [0,0,0,0,2,0|2,0,0]=4 2935 B9R1.6 CC(=O)C1CCOCC1 MCULE-4829713073 [0,0,0,0,2,0|2,0,0]=4 2936 B9R1.6 CC(=O)C1CCSCC1 MCULE-1825777359 [0,0,0,0,2,0|2,0,0]=4 2937 B9R1.6 CC(=O)N1CCCCC1 MCULE-2376049669 [0,0,0,0,2,0|2,0,0]=4 2938 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [0,0,0,0,2,0|2,0,0]=4 2939 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [0,0,0,0,2,0|2,0,0]=4 2940 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [0,0,0,0,2,0|2,0,0]=4 2941 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [0,0,0,0,2,0|2,0,0]=4 2942 B9R1.6 CC(O)C1CCCCC1 MCULE-5078012753 [0,0,0,0,2,0|1,0,1]=4 2943 B9R1.6 CS(=O)C1CCCCC1 MCULE-4263908685 [0,0,0,0,2,0|2,0,0]=4 2944 B9R1.6 C[C@@H](O)C1CCCCC1 MCULE-4304404236 [0,0,0,0,2,0|1,0,1]=4 2945 B9R1.6 C[C@@H](O)C1CCCCC1 MCULE-7854211857 [0,0,0,0,2,0|1,0,1]=4 2946 B9R1.6 C[C@H](O)C1CCCCC1 MCULE-9702860419 [0,0,0,0,2,0|1,0,1]=4 2947 B9R1.6 N=C(N)C1CCCCC1 MCULE-3107787417 [0,0,0,0,2,0|2,0,0]=4 2948 B9R1.6 N=C(N)C1CCCCC1 MCULE-9030561972 [0,0,0,0,2,0|2,0,0]=4 2949 B9R1.6 NC(=O)C1CCCCC1 MCULE-8611311863 [0,0,0,0,2,0|1,0,0]=3 2950 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [0,0,0,0,2,0|2,0,0]=4 2951 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [0,0,0,0,2,0|2,0,0]=4 2952 B9R1.6 NC(=O)C1CCCNC1 MCULE-1833696438 [0,0,0,0,2,0|2,0,0]=4 2953 B9R1.6 NC(=O)C1CCCNC1 MCULE-5902080067 [0,0,0,0,2,0|2,0,0]=4 2954 B9R1.6 NC(=O)C1CCCOC1 MCULE-3754898627 [0,0,0,0,2,0|2,0,0]=4 2955 B9R1.6 NC(=O)C1CCNCC1 MCULE-8206211805 [0,0,0,0,2,0|2,0,0]=4 2956 B9R1.6 NC(=O)C1CCNCC1 MCULE-8840746533 [0,0,0,0,2,0|2,0,0]=4 2957 B9R1.6 NC(=O)C1CCOCC1 MCULE-1626473774 [0,0,0,0,2,0|2,0,0]=4 2958 B9R1.6 NC(=O)N1CCCCC1 MCULE-9935688246 [0,0,0,0,2,0|2,0,0]=4 2959 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-1302948446 [0,0,0,0,2,0|2,0,0]=4 2960 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-3790099707 [0,0,0,0,2,0|2,0,0]=4 2961 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-4105759578 [0,0,0,0,2,0|2,0,0]=4 2962 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-6022899132 [0,0,0,0,2,0|2,0,0]=4 2963 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [0,0,0,0,2,0|2,0,0]=4 2964 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-3568267883 [0,0,0,0,2,0|2,0,0]=4 2965 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-6403292667 [0,0,0,0,2,0|2,0,0]=4 2966 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-7433087477 [0,0,0,0,2,0|2,0,0]=4 2967 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-9069766695 [0,0,0,0,2,0|2,0,0]=4 2968 B9R1.6 NC(=S)C1CCCCC1 MCULE-8109334870 [0,0,0,0,2,0|1,1,0]=4 2969 B9R1.6 O=C(Cl)C1CCCCC1 MCULE-5867897390 [0,0,0,0,2,0|1,0,0]=3 2970 B9R1.6 O=C(Cl)C1CCCCO1 MCULE-2871405989 [0,0,0,0,2,0|2,0,0]=4 2971 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-6549888109 [0,0,0,0,2,0|2,0,0]=4 2972 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-7154842850 [0,0,0,0,2,0|2,0,0]=4 2973 B9R1.6 O=C(Cl)C1CCOCC1 MCULE-5435965006 [0,0,0,0,2,0|2,0,0]=4 2974 B9R1.6 O=C(Cl)C1CCSCC1 MCULE-2089111376 [0,0,0,0,2,0|2,0,0]=4 2975 B9R1.6 O=C(Cl)N1CCCCC1 MCULE-8197895576 [0,0,0,0,2,0|2,0,0]=4 2976 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [0,0,0,0,2,0|0,0,2]=4 2977 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [0,0,0,0,2,0|0,0,2]=4 2978 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [0,0,0,0,2,0|0,0,2]=4 2979 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [0,0,0,0,2,0|0,0,0]=2 2980 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,0,0,0,2,0|1,0,0]=3 2981 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,0,0,0,2,0|1,0,0]=3 2982 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,0,0,0,2,0|1,0,0]=3 2983 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,0,0,0,2,0|1,0,0]=3 2984 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [0,0,0,0,2,0|1,0,0]=3 2985 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [0,0,0,0,2,0|1,0,0]=3 2986 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [0,0,0,0,2,0|1,0,0]=3 2987 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [0,0,0,0,2,0|1,0,0]=3 2988 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [0,0,0,0,2,0|1,0,0]=3 2989 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [0,0,0,0,2,0|2,0,0]=4 2990 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [0,0,0,0,2,0|2,0,0]=4 2991 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [0,0,0,0,2,0|1,0,0]=3 2992 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [0,0,0,0,2,0|1,0,0]=3 2993 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [0,0,0,0,2,0|1,0,0]=3 2994 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [0,0,0,0,2,0|1,0,0]=3 2995 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [0,0,0,0,2,0|1,0,0]=3 2996 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [0,0,0,0,2,0|2,0,0]=4 2997 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [0,0,0,0,2,0|2,0,0]=4 2998 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [0,0,0,0,2,0|1,0,0]=3 2999 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [0,0,0,0,2,0|2,0,0]=4 3000 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [0,0,0,0,2,0|2,0,0]=4 3001 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [0,0,0,0,2,0|2,0,0]=4 3002 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [0,0,0,0,2,0|2,0,0]=4 3003 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [0,0,0,0,2,0|2,0,0]=4 3004 B9R1.6 O=C(O)C1CNCCO1 MCULE-1106448255 [0,0,0,0,2,0|2,0,0]=4 3005 B9R1.6 O=C(O)C1CNCCO1 MCULE-5402647836 [0,0,0,0,2,0|2,0,0]=4 3006 B9R1.6 O=C(O)C1CNCCO1 MCULE-5647993069 [0,0,0,0,2,0|2,0,0]=4 3007 B9R1.6 O=C(O)C1CNCCO1 MCULE-6949638629 [0,0,0,0,2,0|2,0,0]=4 3008 B9R1.6 O=C(O)C1CNCCS1 MCULE-3981762124 [0,0,0,0,2,0|2,0,0]=4 3009 B9R1.6 O=C(O)C1CNCCS1 MCULE-4631923202 [0,0,0,0,2,0|2,0,0]=4 3010 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [0,0,0,0,2,0|2,0,0]=4 3011 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [0,0,0,0,2,0|2,0,0]=4 3012 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [0,0,0,0,2,0|2,0,0]=4 3013 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [0,0,0,0,2,0|2,0,0]=4 3014 B9R1.6 O=C(O)C1COCOC1 MCULE-4867087023 [0,0,0,0,2,0|2,0,0]=4 3015 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [0,0,0,0,2,0|2,0,0]=4 3016 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [0,0,0,0,2,0|2,0,0]=4 3017 B9R1.6 O=C(O)C1CSCCS1 MCULE-6267524662 [0,0,0,0,2,0|2,0,0]=4 3018 B9R1.6 O=C(O)C1NCCCS1 MCULE-7316372918 [0,0,0,0,2,0|2,0,0]=4 3019 B9R1.6 O=C(O)C1OCCCO1 MCULE-6505925267 [0,0,0,0,2,0|2,0,0]=4 3020 B9R1.6 O=C(O)C1SCCCS1 MCULE-6447130734 [0,0,0,0,2,0|2,0,0]=4 3021 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [0,0,0,0,2,0|1,0,0]=3 3022 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [0,0,0,0,2,0|1,0,0]=3 3023 B9R1.6 O=C(O)N1CCNCC1 MCULE-3508385346 [0,0,0,0,2,0|2,0,0]=4 3024 B9R1.6 O=C(O)N1CCOCC1 MCULE-7938310937 [0,0,0,0,2,0|2,0,0]=4 3025 B9R1.6 O=C(O)N1CCSCC1 MCULE-4867596495 [0,0,0,0,2,0|2,0,0]=4 3026 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [0,0,0,0,2,0|0,0,2]=4 3027 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [0,0,0,0,2,0|0,0,2]=4 3028 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,0,0,0,2,0|1,0,0]=3 3029 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,0,0,0,2,0|1,0,0]=3 3030 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,0,0,0,2,0|1,0,0]=3 3031 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,0,0,0,2,0|1,0,0]=3 3032 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [0,0,0,0,2,0|1,0,0]=3 3033 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [0,0,0,0,2,0|1,0,0]=3 3034 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [0,0,0,0,2,0|1,0,0]=3 3035 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [0,0,0,0,2,0|1,0,0]=3 3036 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [0,0,0,0,2,0|1,0,0]=3 3037 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [0,0,0,0,2,0|1,0,0]=3 3038 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [0,0,0,0,2,0|2,0,0]=4 3039 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [0,0,0,0,2,0|2,0,0]=4 3040 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [0,0,0,0,2,0|2,0,0]=4 3041 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [0,0,0,0,2,0|1,0,0]=3 3042 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [0,0,0,0,2,0|1,0,0]=3 3043 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [0,0,0,0,2,0|2,0,0]=4 3044 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [0,0,0,0,2,0|2,0,0]=4 3045 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [0,0,0,0,2,0|2,0,0]=4 3046 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [0,0,0,0,2,0|2,0,0]=4 3047 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-3078161658 [0,0,0,0,2,0|2,0,0]=4 3048 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-4550123668 [0,0,0,0,2,0|2,0,0]=4 3049 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7218215777 [0,0,0,0,2,0|2,0,0]=4 3050 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7983160968 [0,0,0,0,2,0|2,0,0]=4 3051 B9R1.6 O=C(O)[C@@H]1CNCCS1 MCULE-6650545170 [0,0,0,0,2,0|2,0,0]=4 3052 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [0,0,0,0,2,0|2,0,0]=4 3053 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [0,0,0,0,2,0|2,0,0]=4 3054 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [0,0,0,0,2,0|2,0,0]=4 3055 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [0,0,0,0,2,0|2,0,0]=4 3056 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [0,0,0,0,2,0|2,0,0]=4 3057 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [0,0,0,0,2,0|2,0,0]=4 3058 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [0,0,0,0,2,0|2,0,0]=4 3059 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [0,0,0,0,2,0|2,0,0]=4 3060 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [0,0,0,0,2,0|2,0,0]=4 3061 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [0,0,0,0,2,0|0,0,2]=4 3062 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [0,0,0,0,2,0|0,0,2]=4 3063 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,0,0,0,2,0|1,0,0]=3 3064 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,0,0,0,2,0|1,0,0]=3 3065 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,0,0,0,2,0|1,0,0]=3 3066 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,0,0,0,2,0|1,0,0]=3 3067 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [0,0,0,0,2,0|1,0,0]=3 3068 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [0,0,0,0,2,0|1,0,0]=3 3069 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [0,0,0,0,2,0|1,0,0]=3 3070 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [0,0,0,0,2,0|1,0,0]=3 3071 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [0,0,0,0,2,0|1,0,0]=3 3072 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [0,0,0,0,2,0|1,0,0]=3 3073 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [0,0,0,0,2,0|2,0,0]=4 3074 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [0,0,0,0,2,0|2,0,0]=4 3075 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [0,0,0,0,2,0|1,0,0]=3 3076 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [0,0,0,0,2,0|1,0,0]=3 3077 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [0,0,0,0,2,0|1,0,0]=3 3078 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [0,0,0,0,2,0|2,0,0]=4 3079 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [0,0,0,0,2,0|2,0,0]=4 3080 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [0,0,0,0,2,0|2,0,0]=4 3081 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [0,0,0,0,2,0|2,0,0]=4 3082 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [0,0,0,0,2,0|2,0,0]=4 3083 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-1051281674 [0,0,0,0,2,0|2,0,0]=4 3084 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-2477891803 [0,0,0,0,2,0|2,0,0]=4 3085 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-5182952887 [0,0,0,0,2,0|2,0,0]=4 3086 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-6051376580 [0,0,0,0,2,0|2,0,0]=4 3087 B9R1.6 O=C(O)[C@H]1CNCCS1 MCULE-7818958113 [0,0,0,0,2,0|2,0,0]=4 3088 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [0,0,0,0,2,0|2,0,0]=4 3089 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [0,0,0,0,2,0|2,0,0]=4 3090 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [0,0,0,0,2,0|2,0,0]=4 3091 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [0,0,0,0,2,0|2,0,0]=4 3092 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [0,0,0,0,2,0|2,0,0]=4 3093 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [0,0,0,0,2,0|2,0,0]=4 3094 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [0,0,0,0,2,0|2,0,0]=4 3095 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [0,0,0,0,2,0|2,0,0]=4 3096 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [0,0,0,0,2,0|2,0,0]=4 3097 B9R1.6 O=C([O-])C1CCCCC1 MCULE-2430887278 [0,0,0,0,2,0|0,0,1]=3 3098 B9R1.6 O=C([O-])C1CCCCN1 MCULE-2358540296 [0,0,0,0,2,0|1,0,1]=4 3099 B9R1.6 O=N(=O)C1CCCCC1 MCULE-6198799449 [0,0,0,0,2,0|1,0,1]=4 3100 B9R1.6 O=S(O)C1CCCCC1 MCULE-2447383910 [0,0,0,0,2,0|1,0,0]=3 3101 B9R1.6 O=S([O-])C1CCCCC1 MCULE-4340070525 [0,0,0,0,2,0|1,0,1]=4 3102 B9R1.6 OB(O)C1CCCCC1 MCULE-7463281328 [0,0,0,0,2,0|1,0,1]=4 3103 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [0,0,0,0,2,0|2,0,0]=4 3104 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [0,0,0,0,2,0|1,0,0]=3 3105 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [0,0,0,0,2,0|1,0,0]=3 3106 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [0,0,0,0,2,0|1,0,0]=3 3107 B9R1.13 CC(=O)CC1CCCC1 MCULE-5830536761 [0,0,0,0,2,0|1,0,0]=3 3108 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [0,0,0,0,2,0|2,0,0]=4 3109 B9R1.13 CC(=O)CC1CCOC1 MCULE-2391008206 [0,0,0,0,2,0|2,0,0]=4 3110 B9R1.13 CC(=O)CN1CCCC1 MCULE-7257105125 [0,0,0,0,2,0|2,0,0]=4 3111 B9R1.13 CC(=O)NC1CCCC1 MCULE-5984597819 [0,0,0,0,2,0|2,0,0]=4 3112 B9R1.13 CC(=O)OC1CCCC1 MCULE-7737656947 [0,0,0,0,2,0|2,0,0]=4 3113 B9R1.13 NC(=O)CC1CCCC1 MCULE-2082339108 [0,0,0,0,2,0|1,0,0]=3 3114 B9R1.13 NC(=O)CC1CCCN1 MCULE-2142594957 [0,0,0,0,2,0|2,0,0]=4 3115 B9R1.13 NC(=O)CC1CCCN1 MCULE-8011902334 [0,0,0,0,2,0|2,0,0]=4 3116 B9R1.13 NC(=O)CC1CCNC1 MCULE-7856346382 [0,0,0,0,2,0|2,0,0]=4 3117 B9R1.13 NC(=O)CC1CCNC1 MCULE-9708437402 [0,0,0,0,2,0|2,0,0]=4 3118 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-2790931086 [0,0,0,0,2,0|2,0,0]=4 3119 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3723741843 [0,0,0,0,2,0|2,0,0]=4 3120 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3877903747 [0,0,0,0,2,0|2,0,0]=4 3121 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-5587287647 [0,0,0,0,2,0|2,0,0]=4 3122 B9R1.13 NC(=O)NC1CCCC1 MCULE-9715014489 [0,0,0,0,2,0|2,0,0]=4 3123 B9R1.13 NC(=O)OC1CCCC1 MCULE-7706681395 [0,0,0,0,2,0|2,0,0]=4 3124 B9R1.13 NC(=S)CC1CCCC1 MCULE-6979331241 [0,0,0,0,2,0|1,1,0]=4 3125 B9R1.13 O=C(Cl)CC1CCCC1 MCULE-1532102571 [0,0,0,0,2,0|1,0,0]=3 3126 B9R1.13 O=C(Cl)CC1CCCO1 MCULE-6649417514 [0,0,0,0,2,0|2,0,0]=4 3127 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-5855966340 [0,0,0,0,2,0|2,0,0]=4 3128 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-7423158222 [0,0,0,0,2,0|2,0,0]=4 3129 B9R1.13 O=C(Cl)OC1CCCC1 MCULE-2692212922 [0,0,0,0,2,0|2,0,0]=4 3130 B9R1.13 O=C(O)C=C1CCCC1 MCULE-1637420148 [0,0,0,0,2,0|0,0,2]=4 3131 B9R1.13 O=C(O)CC1=CCCC1 MCULE-5115478269 [0,0,0,0,2,0|0,0,2]=4 3132 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [0,0,0,0,2,0|0,0,2]=4 3133 B9R1.13 O=C(O)CC1CC=CC1 MCULE-8417475923 [0,0,0,0,2,0|0,0,2]=4 3134 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [0,0,0,0,2,0|0,0,0]=2 3135 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [0,0,0,0,2,0|1,0,0]=3 3136 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [0,0,0,0,2,0|1,0,0]=3 3137 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [0,0,0,0,2,0|1,0,0]=3 3138 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [0,0,0,0,2,0|1,0,0]=3 3139 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [0,0,0,0,2,0|1,0,0]=3 3140 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [0,0,0,0,2,0|1,0,0]=3 3141 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [0,0,0,0,2,0|1,0,0]=3 3142 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [0,0,0,0,2,0|2,0,0]=4 3143 B9R1.13 O=C(O)CC1OCCO1 MCULE-2253063465 [0,0,0,0,2,0|2,0,0]=4 3144 B9R1.13 O=C(O)CN1CCCC1 MCULE-3979513963 [0,0,0,0,2,0|1,0,0]=3 3145 B9R1.13 O=C(O)CN1CCCC1 MCULE-4046939568 [0,0,0,0,2,0|1,0,0]=3 3146 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [0,0,0,0,2,0|1,0,0]=3 3147 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [0,0,0,0,2,0|1,0,0]=3 3148 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [0,0,0,0,2,0|1,0,0]=3 3149 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [0,0,0,0,2,0|1,0,0]=3 3150 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [0,0,0,0,2,0|1,0,0]=3 3151 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [0,0,0,0,2,0|1,0,0]=3 3152 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [0,0,0,0,2,0|1,0,0]=3 3153 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [0,0,0,0,2,0|1,0,0]=3 3154 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [0,0,0,0,2,0|1,0,0]=3 3155 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [0,0,0,0,2,0|1,0,0]=3 3156 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [0,0,0,0,2,0|1,0,0]=3 3157 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [0,0,0,0,2,0|1,0,0]=3 3158 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [0,0,0,0,2,0|1,0,0]=3 3159 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [0,0,0,0,2,0|1,0,0]=3 3160 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [0,0,0,0,2,0|1,0,0]=3 3161 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [0,0,0,0,2,0|1,0,0]=3 3162 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [0,0,0,0,2,0|1,0,0]=3 3163 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [0,0,0,0,2,0|1,0,0]=3 3164 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [0,0,0,0,2,0|1,0,0]=3 3165 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [0,0,0,0,2,0|1,0,0]=3 3166 B9R1.13 OB(O)CC1CCCC1 MCULE-5721807920 [0,0,0,0,2,0|1,0,1]=4 3167 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [0,0,0,0,2,0|1,0,0]=3 3168 B9R1.84 O=C(O)/C=C/C1CCC1 MCULE-9431961317 [0,0,0,0,2,0|0,0,2]=4 3169 B9R1.84 O=C(O)C#CC1CCC1 MCULE-8110230761 [0,0,0,0,2,0|0,0,2]=4 3170 B9R1.84 O=C(O)C=CC1CCC1 MCULE-9173078337 [0,0,0,0,2,0|0,0,2]=4 3171 B9R1.84 O=C(O)CCC1CCC1 MCULE-5780532364 [0,0,0,0,2,0|0,0,0]=2 3172 B9R1.84 O=C(O)CCN1CCC1 MCULE-6537917818 [0,0,0,0,2,0|1,0,0]=3 3173 B9R1.84 O=C(O)CNC1CCC1 MCULE-3999560243 [0,0,0,0,2,0|1,0,0]=3 3174 B9R1.84 O=C(O)CNC1COC1 MCULE-3211874256 [0,0,0,0,2,0|2,0,0]=4 3175 B9R1.84 O=C(O)CNC1COC1 MCULE-8317257994 [0,0,0,0,2,0|2,0,0]=4 3176 B9R1.84 O=C(O)COC1CCC1 MCULE-3354883487 [0,0,0,0,2,0|1,0,0]=3 3177 B9R1.84 O=C(O)COC1CNC1 MCULE-6412418210 [0,0,0,0,2,0|2,0,0]=4 3178 B9R1.84 O=C([O-])CCN1CCC1 MCULE-8406428888 [0,0,0,0,2,0|1,0,1]=4 3179 B9R1.84 O=N(=O)CCC1CCC1 MCULE-8361883109 [0,0,0,0,2,0|1,0,1]=4 3180 B11R0.45 CCCC(CCOC(=O)C)SC MCULE-2402440383 [0,0,1,0,0,1|2,0,0]=4 3181 B11R1.203 COCCC1CCCCNC1 MCULE-1439171420 [1,0,0,0,0,1|2,0,0]=4 3182 B11R1.203 O=CCCC1CCCCCC1 MCULE-5898493972 [1,0,0,0,0,1|0,0,0]=2 3183 B11R1.203 OCCCN1CCCCCC1 MCULE-4520769761 [1,0,0,0,0,1|1,0,1]=4 3184 B11R1.203 OCCCN1CCCCCC1 MCULE-4937889727 [1,0,0,0,0,1|1,0,1]=4 3185 B11R1.203 OCCNC1CCCCCC1 MCULE-9807195475 [1,0,0,0,0,1|1,0,1]=4 3186 B11R1.203 OCCOC1CCCCCC1 MCULE-7377327373 [1,0,0,0,0,1|1,0,1]=4 3187 B13R1.337 C=C(C)CCCCC1CCCCC1 MCULE-8165088148 [0,0,0,0,0,2|2,0,0]=4 3188 B13R1.337 CC(=O)NCCNC1CCSCC1 MCULE-6316951449 [0,0,0,0,0,2|2,0,0]=4 3189 B13R1.337 CC(=O)NCCNC1CCSCC1 MCULE-9095529767 [0,0,0,0,0,2|2,0,0]=4 3190 B13R1.337 CC(=O)OCCCC1CCCCN1 MCULE-1444724209 [0,0,0,0,0,2|2,0,0]=4 3191 B13R1.337 CC(=O)OCCCC1CCCCN1 MCULE-4206471088 [0,0,0,0,0,2|2,0,0]=4 3192 B13R1.337 CC(=O)OCCCC1CCCNC1 MCULE-4591243184 [0,0,0,0,0,2|2,0,0]=4 3193 B13R1.337 CC(=O)OCCCC1CCCNC1 MCULE-7140721019 [0,0,0,0,0,2|2,0,0]=4 3194 B13R1.337 CC(=O)OCCCC1CCNCC1 MCULE-2323487501 [0,0,0,0,0,2|2,0,0]=4 3195 B13R1.337 CC(=O)OCCCC1CCNCC1 MCULE-4105549584 [0,0,0,0,0,2|2,0,0]=4 3196 B13R1.337 CC(=O)OCCCN1CCCCC1 MCULE-7448871413 [0,0,0,0,0,2|2,0,0]=4 3197 B13R1.337 CC(=O)OCCCN1CCCCC1 MCULE-7777165052 [0,0,0,0,0,2|2,0,0]=4 3198 B13R1.337 NC(=O)CNCCC1CCCCC1 MCULE-1811204198 [0,0,0,0,0,2|1,0,0]=3 3199 B13R1.337 O=C(O)C#CCOC1CCCCO1 MCULE-9702574178 [0,0,0,0,0,2|1,0,1]=4 3200 B13R1.337 O=C(O)CCCCC1CCCCC1 MCULE-8624525968 [0,0,0,0,0,2|0,0,0]=2 3201 B13R1.337 O=C(O)CCCCC1CCNCC1 MCULE-9807076317 [0,0,0,0,0,2|1,0,0]=3 3202 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-1700384136 [0,0,0,0,0,2|1,0,0]=3 3203 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-3436222840 [0,0,0,0,0,2|1,0,0]=3 3204 B13R1.337 O=C(O)CCCCN1CCOCC1 MCULE-2036644380 [0,0,0,0,0,2|2,0,0]=4 3205 B13R1.337 O=C(O)CCCCN1CCOCC1 MCULE-4425234754 [0,0,0,0,0,2|2,0,0]=4 3206 B13R1.337 O=C(O)CCCOC1CCCCO1 MCULE-8336941826 [0,0,0,0,0,2|1,0,0]=3 3207 B13R1.337 O=C(O)CCCOC1CCOCC1 MCULE-9068336054 [0,0,0,0,0,2|1,0,0]=3 3208 B13R1.337 O=C(O)CCCSC1CCCCC1 MCULE-1908047550 [0,0,0,0,0,2|0,0,0]=2 3209 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-3522959414 [0,0,0,0,0,2|0,0,0]=2 3210 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-9583021057 [0,0,0,0,0,2|0,0,0]=2 3211 B13R1.337 O=C(O)CCOCC1CCCCC1 MCULE-1183191547 [0,0,0,0,0,2|0,0,0]=2 3212 B13R1.337 O=C(O)CCSCC1CCCCC1 MCULE-3460268969 [0,0,0,0,0,2|0,0,0]=2 3213 B13R1.337 O=C(O)COCCN1CCNCC1 MCULE-4314449701 [0,0,0,0,0,2|2,0,0]=4 3214 B13R1.1988 C=C(C)CCCC1CCCCCC1 MCULE-6488235518 [0,0,0,0,0,2|2,0,0]=4 3215 B13R1.1988 O=C(O)/C=C/CN1CCCCCC1 MCULE-8860812117 [0,0,0,0,0,2|1,0,1]=4 3216 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-5500239831 [0,0,0,0,0,2|1,0,0]=3 3217 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-9998662967 [0,0,0,0,0,2|1,0,0]=3 3218 B13R1.1988 O=C(O)CCNC1=NCCCCC1 MCULE-9127655169 [0,0,0,0,0,2|0,0,1]=3 3219 B13R1.1988 O=C(O)CON=C1CCCCCC1 MCULE-4174439671 [0,0,0,0,0,2|1,0,1]=4 3220 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-3702984614 [0,0,0,0,0,2|1,0,0]=3 3221 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-4571415668 [0,0,0,0,0,2|1,0,0]=3 3222 B13R1.1022 O=C(O)COC1C#CCCCCC1 MCULE-9286758727 [0,0,0,0,0,2|1,0,0]=3