0 B20R0.32083 CCC#CC(=O)CCCCCCCCCCCCCCO 1458a_100011827653_100009828009 [0,0,0,0,0,0|3,0,1]=4 1 B20R0.32083 CCCCCCCCCCCCCCCC(=O)C#CCO 1458a_100000049017_100000210322 [0,0,0,0,0,0|1,0,1]=2 2 B19R0.182 CC=CC(=O)NCCCCCCCCCCCCCC 11a_100011217771_100000210699 [1,0,0,0,0,0|2,0,1]=4 3 B19R0.182 CC=CC(=O)NCCCCCCCCCCCCCC 1626a_100011217771_100000210699 [1,0,0,0,0,0|2,0,1]=4 4 B19R0.182 CC=CC(=O)NCCCCCCCCCCCCCC 240690a_100011217771_100000210699 [1,0,0,0,0,0|2,0,1]=4 5 B19R0.182 CCCCCC/C=C\CCCCCCCC(=O)NCC 11a_100015525214_100020587579 [1,0,0,0,0,0|0,0,2]=3 6 B19R0.182 CCCCCC/C=C\CCCCCCCC(=O)NCC 240690a_100015525214_100020587579 [1,0,0,0,0,0|0,0,2]=3 7 B19R0.182 CCCCCC/C=C\CCCCCCCC(=O)NCC 527a_100015525214_100020587579 [1,0,0,0,0,0|0,0,2]=3 8 B19R0.182 CCCCCCCCCCCCCCNC(=O)NCC 2708a_100011217771_100015525214 [1,0,0,0,0,0|1,0,0]=2 9 B19R0.182 CCCCCCCCCCCCCCNC(=O)NCC 2708a_100015525214_100011217771 [1,0,0,0,0,0|1,0,0]=2 10 B19R0.182 CCCCCCCCCCCCCCNC(=O)NCC 273464a_100011217771_100015525214 [1,0,0,0,0,0|1,0,0]=2 11 B19R0.182 CCCCCCCCCCCCCCNC(=O)NCC 273464a_100015525214_100011217771 [1,0,0,0,0,0|1,0,0]=2 12 B19R0.182 CCCCCCCCCCCCCCNC(=O)NCC 512a_100011217771_100015525214 [1,0,0,0,0,0|1,0,0]=2 13 B19R0.182 CCCCCCCCCCCCCCNC(=O)NCC 512a_100015525214_100011217771 [1,0,0,0,0,0|1,0,0]=2 14 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCC 2708a_100011215765_100020643023 [1,0,0,0,0,0|2,0,0]=3 15 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCC 2708a_100020643023_100011215765 [1,0,0,0,0,0|2,0,0]=3 16 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCC 273464a_100011215765_100020643023 [1,0,0,0,0,0|2,0,0]=3 17 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCC 273464a_100020643023_100011215765 [1,0,0,0,0,0|2,0,0]=3 18 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCC 512a_100011215765_100020643023 [1,0,0,0,0,0|2,0,0]=3 19 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCC 512a_100020643023_100011215765 [1,0,0,0,0,0|2,0,0]=3 20 B21R0.2971 CC#CCNC(=O)NCCCCCCCCCCCCCC 2708a_100011217771_100000685387 [0,1,0,0,0,0|2,0,1]=4 21 B21R0.2971 CC#CCNC(=O)NCCCCCCCCCCCCCC 273464a_100000685387_100011217771 [0,1,0,0,0,0|2,0,1]=4 22 B21R0.2971 CC#CCNC(=O)NCCCCCCCCCCCCCC 273464a_100011217771_100000685387 [0,1,0,0,0,0|2,0,1]=4 23 B21R0.2971 CC#CCNC(=O)NCCCCCCCCCCCCCC 512a_100000685387_100011217771 [0,1,0,0,0,0|2,0,1]=4 24 B21R0.2971 CC#CCNC(=O)NCCCCCCCCCCCCCC 512a_100011217771_100000685387 [0,1,0,0,0,0|2,0,1]=4 25 B21R0.2971 CCCC#CC(=O)NCCCCCCCCCCCCCC 240690a_100011217771_200011218047 [0,1,0,0,0,0|3,0,0]=4 26 B21R0.9301 CCCCC#CCCCCCCSCCCC(=O)NCCC 62a_100011194427_200000043322 [0,1,0,0,0,0|1,0,2]=4 27 B21R0.9301 CCCCC#CCCCCCCSCCCC(=O)NCCC 62a_200000043322_100011194427 [0,1,0,0,0,0|1,0,2]=4 28 B21R0.36393 C#CC(C)NC(=O)NCCCCCCCCCCCCCC 2708a_100000707721_100011217771 [0,1,0,0,0,0|2,0,1]=4 29 B21R0.36393 C#CC(C)NC(=O)NCCCCCCCCCCCCCC 2708a_100011217771_100000707721 [0,1,0,0,0,0|2,0,1]=4 30 B21R0.36393 C#CC(C)NC(=O)NCCCCCCCCCCCCCC 273464a_100000707721_100011217771 [0,1,0,0,0,0|2,0,1]=4 31 B21R0.36393 C#CC(C)NC(=O)NCCCCCCCCCCCCCC 273464a_100011217771_100000707721 [0,1,0,0,0,0|2,0,1]=4 32 B21R0.36393 C#CC(C)NC(=O)NCCCCCCCCCCCCCC 512a_100000707721_100011217771 [0,1,0,0,0,0|2,0,1]=4 33 B21R0.36393 C#CC(C)NC(=O)NCCCCCCCCCCCCCC 512a_100011217771_100000707721 [0,1,0,0,0,0|2,0,1]=4 34 B21R1.7043 CCCCCCCCCCCCCCCN1CCC(C1)O 2230a_100011215560_100000210322 [0,0,0,1,0,0|3,0,0]=4 35 B21R1.7043 CCCCCCCCCCCCCCCN1CCC(C1)O 269982a_100011215560_100000210322 [0,0,0,1,0,0|3,0,0]=4 36 B21R1.7043 CCCCCCCCCCCCCCCN1CCC(C1)O 270004a_100011215560_100012088177 [0,0,0,1,0,0|3,0,0]=4 37 B21R1.7044 CCCCCCCCCCCCCCCN1CCCOC1 2230a_100000131196_100000210322 [0,0,0,1,0,0|3,0,0]=4 38 B21R1.7044 CCCCCCCCCCCCCCCN1CCCOC1 269982a_100000131196_100000210322 [0,0,0,1,0,0|3,0,0]=4 39 B21R1.7044 CCCCCCCCCCCCCCCN1CCCOC1 270004a_100000131196_100012088177 [0,0,0,1,0,0|3,0,0]=4 40 B21R1.7044 CCCCCCCCCCCCCCCN1CCCOC1 34a_100000131196_100000210322 [0,0,0,1,0,0|3,0,0]=4 41 B21R1.75630 CCCCCCCCCCCCCNC1CCCCC1=O 34a_100011215765_100000754470 [0,0,0,1,0,0|3,0,0]=4 42 B21R1.75630 CCCCCCCCCCCCCOC1CCCCC1=O 34a_100000185773_100000754470 [0,0,0,1,0,0|3,0,0]=4 43 B21R1.75630 CCCCCCCCCCCCCOC1CCCCC1=O 34a_100011214950_100000210684 [0,0,0,1,0,0|3,0,0]=4 44 B21R1.75630 CCCCCCCCCCCCCOC1CCCCC1=O 7a_100000185773_100000204591 [0,0,0,1,0,0|3,0,0]=4 45 B21R1.75630 CCCCCCCCCCCCCSC1CCCNC1=O 62a_100000687798_100011934334 [0,0,0,1,0,0|2,0,0]=3 46 B21R1.75630 CCCCCCCCCCCCOCC1CCCCC1=O 34a_100009861125_100000759014 [0,0,0,1,0,0|3,0,0]=4 47 B21R1.75630 CCCCCCCCCCCCOCC1CCCCC1=O 7a_100009861125_100000759014 [0,0,0,1,0,0|3,0,0]=4 48 B21R1.156304 CCCCCC/C=C\CCCCCCCC(=O)N1CCC1 11a_100000754969_100020587579 [0,0,0,1,0,0|1,0,2]=4 49 B21R1.156304 CCCCCC/C=C\CCCCCCCC(=O)N1CCC1 240690a_100000754969_100020587579 [0,0,0,1,0,0|1,0,2]=4 50 B21R1.156304 CCCCCC/C=C\CCCCCCCC(=O)N1CCC1 527a_100000754969_100020587579 [0,0,0,1,0,0|1,0,2]=4 51 B21R1.156304 CCCCCCCCCCCCCCCC(=O)N1CCC1 11a_100000754969_100000610636 [0,0,0,1,0,0|1,0,0]=2 52 B21R1.156304 CCCCCCCCCCCCCCCC(=O)N1CCC1 240690a_100000754969_100000610636 [0,0,0,1,0,0|1,0,0]=2 53 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1CCC1 11a_100011217771_100000209988 [0,0,0,1,0,0|3,0,0]=4 54 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1CCC1 1626a_100011217771_100000209988 [0,0,0,1,0,0|3,0,0]=4 55 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1CCC1 240690a_100011217771_100000209988 [0,0,0,1,0,0|3,0,0]=4 56 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1CCC1 527a_100011217771_100000209988 [0,0,0,1,0,0|3,0,0]=4 57 B21R1.156304 CCCCCCCCCCCCCCNC(=O)N1CCC1 2708a_100011217771_100000754969 [0,0,0,1,0,0|2,0,0]=3 58 B21R1.156304 CCCCCCCCCCCCCCNC(=O)N1CCC1 273464a_100011217771_100000754969 [0,0,0,1,0,0|2,0,0]=3 59 B21R1.156304 CCCCCCCCCCCCCSCC(=O)N1CCC1 62a_100000185095_100011934334 [0,0,0,1,0,0|2,0,0]=3 60 B21R1.156304 CCCCCCCCCCCCSCCC(=O)N1CCC1 11a_100000754969_100008107568 [0,0,0,1,0,0|2,0,0]=3 61 B21R1.156304 CCCCCCCCCCCCSCCC(=O)N1CCC1 240690a_100000754969_100008107568 [0,0,0,1,0,0|2,0,0]=3 62 B21R1.156306 CCCCCC/C=C\CCCCCCCC(=O)NC1CC1 1626a_100000212008_100020587579 [0,0,0,1,0,0|1,0,2]=4 63 B21R1.156306 CCCCCC/C=C\CCCCCCCC(=O)NC1CC1 240690a_100000212008_100020587579 [0,0,0,1,0,0|1,0,2]=4 64 B21R1.156306 CCCCCC/C=C\CCCCCCCC(=O)NC1CC1 527a_100000212008_100020587579 [0,0,0,1,0,0|1,0,2]=4 65 B21R1.156306 CCCCCCCCCCCCCCNC(=O)NC1CC1 2708a_100000212008_100011217771 [0,0,0,1,0,0|2,0,0]=3 66 B21R1.156306 CCCCCCCCCCCCCCNC(=O)NC1CC1 2708a_100011217771_100000212008 [0,0,0,1,0,0|2,0,0]=3 67 B21R1.156306 CCCCCCCCCCCCCCNC(=O)NC1CC1 273464a_100000212008_100011217771 [0,0,0,1,0,0|2,0,0]=3 68 B21R1.156306 CCCCCCCCCCCCCCNC(=O)NC1CC1 273464a_100011217771_100000212008 [0,0,0,1,0,0|2,0,0]=3 69 B21R1.156306 CCCCCCCCCCCCCCNC(=O)NC1CC1 512a_100000212008_100011217771 [0,0,0,1,0,0|2,0,0]=3 70 B21R1.1181475 CN(CCCO)C1CCCCCCCCCCCCCC1 270004a_100000213112_100000040017 [0,0,0,1,0,0|3,0,0]=4 71 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)C1CC1C 11a_100011217771_100000211227 [0,0,0,1,0,0|3,0,0]=4 72 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)C1CC1C 1626a_100011217771_100000211227 [0,0,0,1,0,0|3,0,0]=4 73 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)C1CC1C 527a_100011217771_100000211227 [0,0,0,1,0,0|3,0,0]=4 74 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100011217771_100015396687 [0,0,0,1,0,0|3,0,0]=4 75 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100011217771_100015396687 [0,0,0,1,0,0|3,0,0]=4 76 B21R1.6248082 CCCCCCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100011217771_100015396687 [0,0,0,1,0,0|3,0,0]=4 77 B18R0.110 C#CCC(=O)CCCCCCCCCCCCCC 1458a_100000297455_100000184674 [2,0,0,0,0,0|1,0,1]=4 78 B18R0.110 C#CCC(=O)CCCCCCCCCCCCCC 1458a_100011220946_100011215471 [2,0,0,0,0,0|1,0,1]=4 79 B18R0.110 CC#CC(=O)CCCCCCCCCCCCCC 1458a_100000763181_100011215471 [2,0,0,0,0,0|1,0,1]=4 80 B18R0.110 CCCCCCCCCCCCCCC(=O)CC#N 1458a_100000297455_100011214920 [2,0,0,0,0,0|1,0,1]=4 81 B18R0.110 CCCCCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100011215471 [2,0,0,0,0,0|1,0,1]=4 82 B18R0.110 CCCCCCCCCCCCCCC(=O)NCC 11a_100015525214_100000297455 [2,0,0,0,0,0|0,0,0]=2 83 B18R0.110 CCCCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000297455 [2,0,0,0,0,0|0,0,0]=2 84 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC 11a_100011215765_100000211992 [2,0,0,0,0,0|2,0,0]=4 85 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC 1626a_100011215765_100000211992 [2,0,0,0,0,0|2,0,0]=4 86 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC 240690a_100011215765_100000211992 [2,0,0,0,0,0|2,0,0]=4 87 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC 527a_100011215765_100000211992 [2,0,0,0,0,0|2,0,0]=4 88 B18R0.110 CCCCCCCCCCCCSCC(=O)OCC 62a_100000188475_100000759014 [2,0,0,0,0,0|2,0,0]=4 89 B18R0.110 CCCCCCCCCCCSCCC(=O)OCC 62a_100000765890_100011215454 [2,0,0,0,0,0|2,0,0]=4 90 B18R0.110 CCCCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210320 [2,0,0,0,0,0|2,0,0]=4 91 B18R0.110 CCCCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210670 [2,0,0,0,0,0|2,0,0]=4 92 B18R0.110 CCCCCCCCSCCCCCC(=O)OCC 62a_100000210759_100000755133 [2,0,0,0,0,0|2,0,0]=4 93 B18R0.110 CCCCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210317 [2,0,0,0,0,0|2,0,0]=4 94 B18R0.110 CCCCCCCSCCCCCCC(=O)OCC 62a_100000210614_100009814379 [2,0,0,0,0,0|2,0,0]=4 95 B18R0.110 CCCCCCSCCCCCCCC(=O)OCC 62a_100000210314_100009991516 [2,0,0,0,0,0|2,0,0]=4 96 B18R0.110 CCCCCSCCCCCCCCC(=O)OCC 62a_100000210326_100010175975 [2,0,0,0,0,0|2,0,0]=4 97 B18R0.110 CCCCSCCCCCCCCCC(=O)OCC 62a_100000210211_100009828014 [2,0,0,0,0,0|2,0,0]=4 98 B18R0.110 CCCSCCCCCCCCCCC(=O)OCC 62a_100000210303_100009827693 [2,0,0,0,0,0|2,0,0]=4 99 B18R0.110 CCOC(=O)CCCCCCCCCCCSCC 62a_100000210202_100103168309 [2,0,0,0,0,0|2,0,0]=4 100 B18R0.171 C#CC(=O)CCCCCCCCCCCCCCC 1458a_100000211873_100000210322 [2,0,0,0,0,0|0,0,2]=4 101 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000610636 [2,0,0,0,0,0|0,0,0]=2 102 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000610636 [2,0,0,0,0,0|0,0,0]=2 103 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000610636 [2,0,0,0,0,0|0,0,0]=2 104 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 11a_100011217771_100000210414 [2,0,0,0,0,0|1,0,0]=3 105 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 1626a_100011217771_100000210414 [2,0,0,0,0,0|1,0,0]=3 106 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 240690a_100011217771_100000210414 [2,0,0,0,0,0|1,0,0]=3 107 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 527a_100011217771_100000210414 [2,0,0,0,0,0|1,0,0]=3 108 B18R0.171 CCCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011934334 [2,0,0,0,0,0|2,0,0]=4 109 B18R0.171 CCCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000759014 [2,0,0,0,0,0|2,0,0]=4 110 B18R0.171 CCCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100011215454 [2,0,0,0,0,0|2,0,0]=4 111 B18R0.171 CCCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210320 [2,0,0,0,0,0|2,0,0]=4 112 B18R0.171 CCCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210670 [2,0,0,0,0,0|2,0,0]=4 113 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100000210759_100009815986 [2,0,0,0,0,0|2,0,0]=4 114 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210317 [2,0,0,0,0,0|2,0,0]=4 115 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100000210614_100010004213 [2,0,0,0,0,0|2,0,0]=4 116 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210316 [2,0,0,0,0,0|2,0,0]=4 117 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100000210314_100010282707 [2,0,0,0,0,0|2,0,0]=4 118 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210757 [2,0,0,0,0,0|2,0,0]=4 119 B18R0.171 CCCCCSCCCCCCCCCC(=O)OC 62a_100000210326_100009813843 [2,0,0,0,0,0|2,0,0]=4 120 B18R0.171 CCCCSCCCCCCCCCCC(=O)OC 62a_100000210211_100009812566 [2,0,0,0,0,0|2,0,0]=4 121 B18R0.171 CCCSCCCCCCCCCCCC(=O)OC 62a_100000210303_100010983606 [2,0,0,0,0,0|2,0,0]=4 122 B18R0.171 CCSCCCCCCCCCCCCC(=O)OC 62a_100000210202_209314222159 [2,0,0,0,0,0|2,0,0]=4 123 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCC 11a_100020643023_100000756256 [2,0,0,0,0,0|1,0,0]=3 124 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCC 1626a_100020643023_100000756256 [2,0,0,0,0,0|1,0,0]=3 125 B18R0.3155 CCCCCCCCCCCCCC(=O)NCCC 240690a_100020643023_100000756256 [2,0,0,0,0,0|1,0,0]=3 126 B20R0.112 CCCCCC/C=C\CCCCCCCC(=O)N(C)CC 11a_100000225621_100020587579 [1,1,0,0,0,0|0,0,2]=4 127 B20R0.112 CCCCCC/C=C\CCCCCCCC(=O)N(C)CC 1626a_100000225621_100020587579 [1,1,0,0,0,0|0,0,2]=4 128 B20R0.112 CCCCCC/C=C\CCCCCCCC(=O)N(C)CC 240690a_100000225621_100020587579 [1,1,0,0,0,0|0,0,2]=4 129 B20R0.112 CCCCCC/C=C\CCCCCCCC(=O)N(C)CC 527a_100000225621_100020587579 [1,1,0,0,0,0|0,0,2]=4 130 B20R0.112 CCCCCCCCCCCCCCNC(=O)N(C)CC 2708a_100011217771_100000225621 [1,1,0,0,0,0|1,0,0]=3 131 B20R0.112 CCCCCCCCCCCCCCNC(=O)N(C)CC 273464a_100011217771_100000225621 [1,1,0,0,0,0|1,0,0]=3 132 B20R0.2931 CCCCCC/C=C\CCCCCCCC(=O)NC(C)C 11a_100138425928_100020587579 [1,1,0,0,0,0|0,0,2]=4 133 B20R0.2931 CCCCCC/C=C\CCCCCCCC(=O)NC(C)C 1626a_100138425928_100020587579 [1,1,0,0,0,0|0,0,2]=4 134 B20R0.2931 CCCCCC/C=C\CCCCCCCC(=O)NC(C)C 240690a_100138425928_100020587579 [1,1,0,0,0,0|0,0,2]=4 135 B20R0.2931 CCCCCC/C=C\CCCCCCCC(=O)NC(C)C 527a_100138425928_100020587579 [1,1,0,0,0,0|0,0,2]=4 136 B20R0.2931 CCCCCCCCCCCCCCNC(=O)NC(C)C 2708a_100011217771_100138425928 [1,1,0,0,0,0|1,0,0]=3 137 B20R0.2931 CCCCCCCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100011217771 [1,1,0,0,0,0|1,0,0]=3 138 B20R0.2931 CCCCCCCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100011217771 [1,1,0,0,0,0|1,0,0]=3 139 B20R0.2931 CCCCCCCCCCCCCCNC(=O)NC(C)C 512a_100011217771_100138425928 [1,1,0,0,0,0|1,0,0]=3 140 B20R0.2931 CCCCCCCCCCCCCCNC(=O)NC(C)C 512a_100138425928_100011217771 [1,1,0,0,0,0|1,0,0]=3 141 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(C)C 2708a_100000210953_100011215765 [1,1,0,0,0,0|2,0,0]=4 142 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(C)C 2708a_100011215765_100000210953 [1,1,0,0,0,0|2,0,0]=4 143 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(C)C 273464a_100000210953_100011215765 [1,1,0,0,0,0|2,0,0]=4 144 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(C)C 273464a_100011215765_100000210953 [1,1,0,0,0,0|2,0,0]=4 145 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(C)C 512a_100000210953_100011215765 [1,1,0,0,0,0|2,0,0]=4 146 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(C)C 512a_100011215765_100000210953 [1,1,0,0,0,0|2,0,0]=4 147 B20R0.32503 C#CC(C)NC(=O)CCCCCCCCCCCCCC 11a_100000707721_100000297455 [1,1,0,0,0,0|1,0,1]=4 148 B20R0.32503 C#CC(C)NC(=O)CCCCCCCCCCCCCC 1626a_100000707721_100000297455 [1,1,0,0,0,0|1,0,1]=4 149 B20R0.32503 C#CC(C)NC(=O)CCCCCCCCCCCCCC 240690a_100000707721_100000297455 [1,1,0,0,0,0|1,0,1]=4 150 B20R0.32503 CCCCCCCCCCCCCCC(=O)NC(C)C#N 11a_100000737613_100000297455 [1,1,0,0,0,0|1,0,1]=4 151 B20R0.32503 CCCCCCCCCCCCCCC(=O)NC(C)C#N 1626a_100000737613_100000297455 [1,1,0,0,0,0|1,0,1]=4 152 B20R0.32503 CCCCCCCCCCCCCNC(=O)NC(C)CC 2708a_100000209981_100011215765 [1,1,0,0,0,0|2,0,0]=4 153 B20R0.32503 CCCCCCCCCCCCCNC(=O)NC(C)CC 2708a_100011215765_100000209981 [1,1,0,0,0,0|2,0,0]=4 154 B20R0.32503 CCCCCCCCCCCCCNC(=O)NC(C)CC 273464a_100000209981_100011215765 [1,1,0,0,0,0|2,0,0]=4 155 B20R0.32503 CCCCCCCCCCCCCNC(=O)NC(C)CC 273464a_100011215765_100000209981 [1,1,0,0,0,0|2,0,0]=4 156 B20R0.32503 CCCCCCCCCCCCCNC(=O)NC(C)CC 512a_100000209981_100011215765 [1,1,0,0,0,0|2,0,0]=4 157 B20R0.32503 CCCCCCCCCCCCCNC(=O)NC(C)CC 512a_100011215765_100000209981 [1,1,0,0,0,0|2,0,0]=4 158 B22R0.38515 C#CCNC(=O)CCCCCCCC#CCCCCCCCC 11a_100000212058_200000124685 [0,2,0,0,0,0|1,0,1]=4 159 B22R0.38515 C#CCNC(=O)CCCCCCCC#CCCCCCCCC 1626a_100000212058_200000124685 [0,2,0,0,0,0|1,0,1]=4 160 B22R0.38515 C#CCNC(=O)CCCCCCCC#CCCCCCCCC 240690a_100000212058_200000124685 [0,2,0,0,0,0|1,0,1]=4 161 B22R0.38515 C#CCNC(=O)CCCCCCCC#CCCCCCCCC 527a_100000212058_200000124685 [0,2,0,0,0,0|1,0,1]=4 162 B22R0.38515 CCCCCCCCC#CCCCCCCCC(=O)NCC#N 1626a_100000734998_200000124685 [0,2,0,0,0,0|1,0,1]=4 163 B22R0.38515 CCCCCCCCC#CCCCCCCCC(=O)NCC#N 527a_100000734998_200000124685 [0,2,0,0,0,0|1,0,1]=4 164 B22R0.27192 CCCCCCCCCCCCCCNC(=O)NCC(F)(F)F 273464a_100000717047_100011217771 [0,2,0,0,0,0|2,0,0]=4 165 B22R0.27192 CCCCCCCCCCCCCCNC(=O)NCC(F)(F)F 273464a_100011217771_100000717047 [0,2,0,0,0,0|2,0,0]=4 166 B22R0.27192 CCCCCCCCCCCCCCNC(=O)NCC(F)(F)F 512a_100000717047_100011217771 [0,2,0,0,0,0|2,0,0]=4 167 B22R0.27192 CCCCCCCCCCCCCCNC(=O)NCC(F)(F)F 512a_100011217771_100000717047 [0,2,0,0,0,0|2,0,0]=4 168 B20R1.8322 CCCCCCCCCCCCCSCC1=NCCN1 62a_100000737910_100011934334 [1,0,0,1,0,0|2,0,0]=4 169 B20R1.440705 OCCCOC1CCCCCCCCCCCCCC1 34a_200000037640_100000230001 [1,0,0,1,0,0|2,0,0]=4 170 B20R1.440705 OCCCOC1CCCCCCCCCCCCCC1 7a_200000037640_100011215043 [1,0,0,1,0,0|2,0,0]=4 171 B20R1.250 CCCCCCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000759014 [1,0,0,1,0,0|2,0,0]=4 172 B20R1.3818 CCOC(=O)CCCCCCCCSC1CCCCC1 62a_100000210327_100010175975 [1,0,0,1,0,0|2,0,0]=4 173 B20R1.3818 CCOC(=O)CCCCCCCSCC1CCCCC1 62a_100000211423_100009991516 [1,0,0,1,0,0|2,0,0]=4 174 B20R1.3818 CCOC(=O)CCCCCCSCCC1CCCCC1 62a_100012355289_100009814379 [1,0,0,1,0,0|2,0,0]=4 175 B20R1.3818 CCOC(=O)CCCCCSCCCC1CCCCC1 62a_100000755133_100011713725 [1,0,0,1,0,0|2,0,0]=4 176 B20R1.3818 CCOC(=O)CCCCCSCCCC1CCCCC1 62a_100011713725_100000755133 [1,0,0,1,0,0|2,0,0]=4 177 B20R1.38730 CCOC(=O)CCCCCCCCCSC1CCCC1 62a_100011217020_100009828014 [1,0,0,1,0,0|2,0,0]=4 178 B20R1.38730 CCOC(=O)CCCCCCCCSCC1CCCC1 62a_100000740388_100010175975 [1,0,0,1,0,0|2,0,0]=4 179 B20R1.38730 CCOC(=O)CCCCCCCSCCC1CCCC1 62a_100000760354_100009991516 [1,0,0,1,0,0|2,0,0]=4 180 B20R1.38730 CCOC(=O)CCCCCCSCCCC1CCCC1 62a_100011713738_100009814379 [1,0,0,1,0,0|2,0,0]=4 181 B20R1.46868 CCOC(=O)CCCCCCCCCCSCC1CC1 62a_100000756562_100009827693 [1,0,0,1,0,0|2,0,0]=4 182 B20R1.46868 CCOC(=O)CCCCCCCCCSCCC1CC1 62a_100000764125_100009828014 [1,0,0,1,0,0|2,0,0]=4 183 B20R1.49370 CCOC(=O)CCCCCCCCCSCC1CCC1 62a_100000763275_100009828014 [1,0,0,1,0,0|2,0,0]=4 184 B20R1.121981 CCCCCCCCCCCCCCNC(=O)C1CC1 11a_100011217771_100000210395 [1,0,0,1,0,0|2,0,0]=4 185 B20R1.121981 CCCCCCCCCCCCCCNC(=O)C1CC1 1626a_100011217771_100000210395 [1,0,0,1,0,0|2,0,0]=4 186 B20R1.121981 CCCCCCCCCCCCCCNC(=O)C1CC1 240690a_100011217771_100000210395 [1,0,0,1,0,0|2,0,0]=4 187 B20R1.121981 CCCCCCCCCCCCCCNC(=O)C1CC1 527a_100011217771_100000210395 [1,0,0,1,0,0|2,0,0]=4 188 B20R1.566526 CCOC(=O)CCCCCCCSC1CCCCCC1 62a_100011217769_100009991516 [1,0,0,1,0,0|2,0,0]=4 189 B20R1.566526 CCOC(=O)CCCCCCSCC1CCCCCC1 62a_200000696569_100009814379 [1,0,0,1,0,0|2,0,0]=4 190 B20R1.202095 CCCCCCCCCCCCCCC(=O)C1CCO1 1458a_100000089072_100011215471 [1,0,0,1,0,0|1,0,0]=3 191 B20R1.202095 CCCCCCCCCCCCCCC(=O)N1CCC1 11a_100000754969_100000297455 [1,0,0,1,0,0|1,0,0]=3 192 B20R1.202095 CCCCCCCCCCCCCCC(=O)N1CCC1 240690a_100000754969_100000297455 [1,0,0,1,0,0|1,0,0]=3 193 B20R1.202097 CCCCCCCCCCCCCCC(=O)NC1CC1 1626a_100000212008_100000297455 [1,0,0,1,0,0|1,0,0]=3 194 B20R1.202097 CCCCCCCCCCCCCCC(=O)NC1CC1 240690a_100000212008_100000297455 [1,0,0,1,0,0|1,0,0]=3 195 B22R1.3272 CCCCCCCCCCCCCSC1CCCCNC1=O 62a_100000735217_100011934334 [0,1,0,1,0,0|2,0,0]=4 196 B22R1.3322 CCCCCCCCCCCCCCCC(=O)N1CC=CC1 1626a_100015195280_100000610636 [0,1,0,1,0,0|1,0,1]=4 197 B22R1.3322 CCCCCCCCCCCCCCCC(=O)N1CC=CC1 240690a_100015195280_100000610636 [0,1,0,1,0,0|1,0,1]=4 198 B22R1.3322 CCCCCCCCCCCCCCNC(=O)C1=COCC1 1626a_100011217771_100000750620 [0,1,0,1,0,0|2,0,0]=4 199 B22R1.3322 CCCCCCCCCCCCCCNC(=O)C1=COCC1 240690a_100011217771_100000750620 [0,1,0,1,0,0|2,0,0]=4 200 B22R1.3322 CCCCCCCCCCCCCCNC(=O)N1CCCC1 2708a_100011217771_100000188435 [0,1,0,1,0,0|2,0,0]=4 201 B22R1.3322 CCCCCCCCCCCCCCNC(=O)N1CCCC1 273464a_100011217771_100000188435 [0,1,0,1,0,0|2,0,0]=4 202 B22R1.3322 CCCCCCCCCCCCCCNC(=O)N1CCSC1 2708a_100011217771_100011215254 [0,1,0,1,0,0|1,1,0]=4 203 B22R1.3322 CCCCCCCCCCCCCCNC(=O)N1CCSC1 273464a_100011217771_100011215254 [0,1,0,1,0,0|1,1,0]=4 204 B22R1.3322 CCCCCCCCCCCCCSCC(=O)N1CCCC1 62a_100000183516_100011934334 [0,1,0,1,0,0|2,0,0]=4 205 B22R1.3322 CCCCCCCCCCCCSCCC(=O)N1CCCC1 240690a_100000188435_100008107568 [0,1,0,1,0,0|2,0,0]=4 206 B22R1.3322 CCCCCCCCCCCCSCCC(=O)N1CCCC1 62a_100011194422_100000759014 [0,1,0,1,0,0|2,0,0]=4 207 B22R1.3322 CCCCCCCCCCCCSCCC(=O)N1CCSC1 11a_100011215254_100008107568 [0,1,0,1,0,0|1,1,0]=4 208 B22R1.3322 CCCCCCCCCCCCSCCC(=O)N1CCSC1 240690a_100011215254_100008107568 [0,1,0,1,0,0|1,1,0]=4 209 B22R1.183555 CCCCCCCCCCCCCCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100011217771_100015190264 [0,1,0,1,0,0|2,0,0]=4 210 B22R1.183555 CCCCCCCCCCCCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100011217771_100015190264 [0,1,0,1,0,0|2,0,0]=4 211 B22R1.183555 CCCCCCCCCCCCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100011217771 [0,1,0,1,0,0|2,0,0]=4 212 B22R1.183555 CCCCCCCCCCCCCCNC(=O)N[C@@H]1C[C@@H]1F 512a_100011217771_100015190264 [0,1,0,1,0,0|2,0,0]=4 213 B22R1.183555 CCCCCCCCCCCCCCNC(=O)N[C@@H]1C[C@H]1F 2708a_100011217771_100025746932 [0,1,0,1,0,0|2,0,0]=4 214 B22R1.183555 CCCCCCCCCCCCCCNC(=O)N[C@@H]1C[C@H]1F 273464a_100011217771_100025746932 [0,1,0,1,0,0|2,0,0]=4 215 B22R1.183555 CCCCCCCCCCCCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100011217771_100025746932 [0,1,0,1,0,0|2,0,0]=4 216 B22R1.183555 CCCCCCCCCCCCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100011217771 [0,1,0,1,0,0|2,0,0]=4 217 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1CCC1 2708a_100011217771_100000749019 [0,1,0,1,0,0|2,0,0]=4 218 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1CCC1 273464a_100000749019_100011217771 [0,1,0,1,0,0|2,0,0]=4 219 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1CCC1 273464a_100011217771_100000749019 [0,1,0,1,0,0|2,0,0]=4 220 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1CCC1 512a_100000749019_100011217771 [0,1,0,1,0,0|2,0,0]=4 221 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1CCC1 512a_100011217771_100000749019 [0,1,0,1,0,0|2,0,0]=4 222 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1CSC1 2708a_100011217771_100016994217 [0,1,0,1,0,0|1,1,0]=4 223 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1CSC1 2708a_100016994217_100011217771 [0,1,0,1,0,0|1,1,0]=4 224 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1CSC1 273464a_100011217771_100016994217 [0,1,0,1,0,0|1,1,0]=4 225 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1CSC1 273464a_100016994217_100011217771 [0,1,0,1,0,0|1,1,0]=4 226 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1CSC1 512a_100011217771_100016994217 [0,1,0,1,0,0|1,1,0]=4 227 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1CSC1 512a_100016994217_100011217771 [0,1,0,1,0,0|1,1,0]=4 228 B22R1.183558 CCCCCCCCCCCCCCNC(=O)N1CCC1C 2708a_100011217771_100000755817 [0,1,0,1,0,0|2,0,0]=4 229 B22R1.183558 CCCCCCCCCCCCCCNC(=O)N1CCC1C 273464a_100011217771_100000755817 [0,1,0,1,0,0|2,0,0]=4 230 B22R1.183558 CCCCCCCCCCCCSCCC(=O)N1CCC1C 11a_100000755817_100008107568 [0,1,0,1,0,0|2,0,0]=4 231 B22R1.183558 CCCCCCCCCCCCSCCC(=O)N1CCC1C 240690a_100000755817_100008107568 [0,1,0,1,0,0|2,0,0]=4 232 B22R1.18042 CCCCCCCCCCCCCCNC1CCCCC1=O 34a_100011217771_100000754470 [0,1,0,1,0,0|2,0,0]=4 233 B22R1.859167 CCCCCCCCCCCCCCCNC(=O)N1CCC1 2708a_200000297553_100000754969 [0,1,0,1,0,0|1,0,0]=3 234 B22R1.859167 CCCCCCCCCCCCCCCNC(=O)N1CCC1 273464a_200000297553_100000754969 [0,1,0,1,0,0|1,0,0]=3 235 B22R1.21654 CCCCCCCCCCCCC(C)SC1CCCNC1=O 62a_100000687798_200011217028 [0,1,0,1,0,0|2,0,0]=4 236 B22R1.21654 CCCCCCCCCCCCC(C)SC1CCCNC1=O 62a_200011217028_100000687798 [0,1,0,1,0,0|2,0,0]=4 237 B22R1.1400901 CCCCCCCCCCCCC(C)SCC(=O)N1CCC1 62a_100000185095_200011217028 [0,1,0,1,0,0|2,0,0]=4 238 B22R1.1400901 CCCCCCCCCCCCC(C)SCC(=O)N1CCC1 62a_200011217028_100000185095 [0,1,0,1,0,0|2,0,0]=4 239 B22R1.1400914 CCCCCCCCCCCCCCC(C)C(=O)N1CCC1 11a_100000754969_100009708034 [0,1,0,1,0,0|1,0,0]=3 240 B22R1.1400914 CCCCCCCCCCCCCCC(C)C(=O)N1CCC1 240690a_100000754969_100009708034 [0,1,0,1,0,0|1,0,0]=3 241 B22R1.1400856 CCCCCCCCCCCCCCNC(=O)NC1(CC1)C 2708a_100011217771_100000757604 [0,1,0,1,0,0|2,0,0]=4 242 B22R1.1400856 CCCCCCCCCCCCCCNC(=O)NC1(CC1)C 273464a_100000757604_100011217771 [0,1,0,1,0,0|2,0,0]=4 243 B22R1.1400856 CCCCCCCCCCCCCCNC(=O)NC1(CC1)C 273464a_100011217771_100000757604 [0,1,0,1,0,0|2,0,0]=4 244 B22R1.1400856 CCCCCCCCCCCCCCNC(=O)NC1(CC1)C 512a_100000757604_100011217771 [0,1,0,1,0,0|2,0,0]=4 245 B22R1.183559 CCCCCCCCCCCCCCCC(=O)N1CC(C1)C 11a_100000702820_100000610636 [0,1,0,1,0,0|1,0,0]=3 246 B22R1.183559 CCCCCCCCCCCCCCCC(=O)N1CC(C1)C 240690a_100000702820_100000610636 [0,1,0,1,0,0|1,0,0]=3 247 B22R1.183559 CCCCCCCCCCCCCCCC(=O)N1CC(C1)F 11a_100000690557_100000610636 [0,1,0,1,0,0|1,0,0]=3 248 B22R1.183559 CCCCCCCCCCCCCCCC(=O)N1CC(C1)F 240690a_100000690557_100000610636 [0,1,0,1,0,0|1,0,0]=3 249 B22R1.183559 CCCCCCCCCCCCCCNC(=O)N1CC(C1)C 2708a_100011217771_100000702820 [0,1,0,1,0,0|2,0,0]=4 250 B22R1.183559 CCCCCCCCCCCCCCNC(=O)N1CC(C1)C 273464a_100011217771_100000702820 [0,1,0,1,0,0|2,0,0]=4 251 B22R1.183559 CCCCCCCCCCCCCCNC(=O)N1CC(C1)F 2708a_100011217771_100000690557 [0,1,0,1,0,0|2,0,0]=4 252 B22R1.183559 CCCCCCCCCCCCCCNC(=O)N1CC(C1)F 273464a_100011217771_100000690557 [0,1,0,1,0,0|2,0,0]=4 253 B22R1.183559 CCCCCCCCCCCCSCCC(=O)N1CC(C1)C 11a_100000702820_100008107568 [0,1,0,1,0,0|2,0,0]=4 254 B22R1.183559 CCCCCCCCCCCCSCCC(=O)N1CC(C1)C 240690a_100000702820_100008107568 [0,1,0,1,0,0|2,0,0]=4 255 B22R1.183559 CCCCCCCCCCCCSCCC(=O)N1CC(C1)F 11a_100000690557_100008107568 [0,1,0,1,0,0|2,0,0]=4 256 B22R1.183559 CCCCCCCCCCCCSCCC(=O)N1CC(C1)F 240690a_100000690557_100008107568 [0,1,0,1,0,0|2,0,0]=4 257 B22R1.1619329 CCCCCCCCCCCCCCNC(=O)N(C)C1CC1 2708a_100011217771_100000226674 [0,1,0,1,0,0|2,0,0]=4 258 B22R1.1619329 CCCCCCCCCCCCCCNC(=O)N(C)C1CC1 273464a_100011217771_100000226674 [0,1,0,1,0,0|2,0,0]=4