0 B19R0.23229 CCC#CCCCCCCN(C)CCCCCCCC 2230a_100000207567_200000036426 [1,0,0,0,0,0|1,0,2]=4 1 B19R0.23229 CCC#CCCCCCCN(C)CCCCCCCC 269982a_100000207567_200000036426 [1,0,0,0,0,0|1,0,2]=4 2 B19R0.23229 CCCCCC#CCN(C)CCCCCCCCCC 2230a_100000207566_100009816472 [1,0,0,0,0,0|1,0,2]=4 3 B19R0.23229 CCCCCC#CCN(C)CCCCCCCCCC 269982a_100000207566_100009816472 [1,0,0,0,0,0|1,0,2]=4 4 B19R0.23229 CCCCCC#CCOCC(C)CCCCCCCC 34a_200012125181_100009816472 [1,0,0,0,0,0|1,0,2]=4 5 B19R0.23229 CCCCCC#CCOCC(C)CCCCCCCC 7a_200012125181_100009816472 [1,0,0,0,0,0|1,0,2]=4 6 B21R1.431 CCCCCCCC1CCC(CC1)NCCCCCCO 270004a_100000686447_100034330914 [0,0,0,1,0,0|3,0,0]=4 7 B21R1.431 CCCCCCCC1CCC(CC1)NCCCCCOC 270004a_100000747528_100034330914 [0,0,0,1,0,0|3,0,0]=4 8 B21R1.431 CCCCCCCC1CCC(CC1)NCCCOCCC 270004a_100011217757_100034330914 [0,0,0,1,0,0|3,0,0]=4 9 B21R1.2927 CCCCCC1CCC(CC1)NCCCCCCCCO 270004a_102515433106_100000004394 [0,0,0,1,0,0|3,0,0]=4 10 B21R1.2927 CCCCCC1CCC(CC1)OCCCCCCCCO 34a_100000066488_100000033203 [0,0,0,1,0,0|3,0,0]=4 11 B21R1.2927 CCCCCC1CCC(CC1)OCCCCCCCCO 7a_100000066488_100000033203 [0,0,0,1,0,0|3,0,0]=4 12 B21R1.2927 CCCCCCCCCCN1CCC(CC1)CCCCO 2230a_100016989291_100000210320 [0,0,0,1,0,0|3,0,0]=4 13 B21R1.2927 CCCCCCCCCCN1CCC(CC1)CCCCO 269982a_100016989291_100000210320 [0,0,0,1,0,0|3,0,0]=4 14 B21R1.2927 CCCCCCCCCCN1CCC(CC1)CCCCO 34a_100016989291_100000210320 [0,0,0,1,0,0|3,0,0]=4 15 B21R1.17815 CCCCCCCNC1CCCCCCCCCCC1=O 2230a_100000229938_200009990614 [0,0,0,1,0,0|1,0,2]=4 16 B21R1.17815 CCCCCCCOC1CCCCCCCCCCC1=O 34a_100000210272_200009990614 [0,0,0,1,0,0|1,0,2]=4 17 B21R1.17815 CCCCCCCOC1CCCCCCCCCCC1=O 7a_100000210272_200009990614 [0,0,0,1,0,0|1,0,2]=4 18 B21R1.66609 CCCCCCCCC(CC)NCCOC1CCCCC1 270004a_100015206981_200011217995 [0,0,0,1,0,0|3,0,0]=4 19 B21R1.66609 CCCCCCCCC(CC)OCCCN1CCCCC1 34a_200011216270_100000690320 [0,0,0,1,0,0|3,0,0]=4 20 B21R1.66609 CCCCCCCCC(CC)OCCCN1CCCCC1 7a_200011216270_100000007876 [0,0,0,1,0,0|3,0,0]=4 21 B21R1.66609 CCCCCCCCC(CC)OCCOC1CCCCC1 34a_200011216270_100011211530 [0,0,0,1,0,0|3,0,0]=4 22 B21R1.66609 CCCCCCCCC(CC)OCCOC1CCCCC1 7a_200011216270_100011211530 [0,0,0,1,0,0|3,0,0]=4 23 B21R1.66628 CCCCCCCCC(CC)NCCCOC1CCCC1 270004a_100000747560_200011217995 [0,0,0,1,0,0|3,0,0]=4 24 B21R1.66646 CCCCCCCCC(CC)N1CCCCC1CCCO 270004a_100011934581_200011217995 [0,0,0,1,0,0|3,0,0]=4 25 B21R1.66646 CCCCCCCCC(CC)N1CCCCC1CCOC 270004a_100015186528_200011217995 [0,0,0,1,0,0|3,0,0]=4 26 B21R1.107735 CCCCCCCCC(CC)OCCC1CCCCN1C 34a_200011216270_100000211948 [0,0,0,1,0,0|3,0,0]=4 27 B21R1.107735 CCCCCCCCC(CC)OCCC1CCCCN1C 7a_200011216270_100000211948 [0,0,0,1,0,0|3,0,0]=4 28 B21R1.987459 CCCCCCCCC(CC)OCCN1CCCCCC1 7a_200011216270_100000722644 [0,0,0,1,0,0|3,0,0]=4 29 B20R1.3356 CCCCCCCCCCC(C)NCC1CCCCO1 270004a_100000174945_200011219864 [1,0,0,1,0,0|2,0,0]=4 30 B20R1.3356 CCCCCCCCCCC(C)NCC1CCSCC1 270004a_100015188806_200011219864 [1,0,0,1,0,0|2,0,0]=4 31 B20R1.3356 CCCCCCCCCCC(C)OCC1CCCCO1 34a_100011215000_100000211543 [1,0,0,1,0,0|2,0,0]=4 32 B20R1.3356 CCCCCCCCCCC(C)OCC1CCCCO1 7a_100011215000_100000211543 [1,0,0,1,0,0|2,0,0]=4 33 B20R1.3356 CCCCCCCCCCC(C)OCC1CCCOC1 34a_100011215000_100000741521 [1,0,0,1,0,0|2,0,0]=4 34 B20R1.3356 CCCCCCCCCCC(C)OCC1CCCOC1 7a_100011215000_100000741521 [1,0,0,1,0,0|2,0,0]=4 35 B20R1.3356 CCCCCCCCCCC(C)OCC1CCOCC1 34a_100011215000_100000754603 [1,0,0,1,0,0|2,0,0]=4 36 B20R1.3356 CCCCCCCCCCC(C)OCC1CCOCC1 7a_100011215000_100000754603 [1,0,0,1,0,0|2,0,0]=4 37 B20R1.3356 CCCCCCCCCCN(C)CCC1CCCCO1 2230a_100015183322_100000210320 [1,0,0,1,0,0|2,0,0]=4 38 B20R1.3356 CCCCCCCCCCN(C)CCC1CCCCO1 269982a_100015183322_100000210320 [1,0,0,1,0,0|2,0,0]=4 39 B20R1.3356 CCCCCCCCCCN(C)CCC1CCCCO1 34a_100015183322_100000210320 [1,0,0,1,0,0|2,0,0]=4 40 B20R1.3356 CCCCCCCCCCN(C)COC1CCCCC1 2230a_100000207566_100011935260 [1,0,0,1,0,0|2,0,0]=4 41 B20R1.3356 CCCCCCCCCCN(C)COC1CCCCC1 269982a_100000207566_100011935260 [1,0,0,1,0,0|2,0,0]=4 42 B20R1.3356 CCCCCCCCCOC(C)CNC1CCCCC1 34a_100000202029_100011214924 [1,0,0,1,0,0|2,0,0]=4 43 B20R1.7588 CCCCCCCCC(C)CNCCC1CCCCC1 270004a_100000738074_100011995885 [1,0,0,1,0,0|1,0,0]=3 44 B20R1.7588 CCCCCCCCC(C)COCCC1CCOCC1 34a_200012125181_100011934994 [1,0,0,1,0,0|2,0,0]=4 45 B20R1.7588 CCCCCCCCC(C)COCCC1CCOCC1 7a_200012125181_100011934994 [1,0,0,1,0,0|2,0,0]=4 46 B20R1.7588 CCCCCCCCC(C)COCOC1CCCCC1 34a_200012125181_100011935260 [1,0,0,1,0,0|2,0,0]=4 47 B20R1.7588 CCCCCCCCC(C)COCOC1CCCCC1 7a_200012125181_100011935260 [1,0,0,1,0,0|2,0,0]=4 48 B20R1.7588 CCCCCCCCC(C)NCCOC1CCCCC1 270004a_100015206981_100011216694 [1,0,0,1,0,0|2,0,0]=4 49 B20R1.7588 CCCCCCCCC(C)OCCCN1CCCCC1 34a_100000210740_100000690320 [1,0,0,1,0,0|2,0,0]=4 50 B20R1.7588 CCCCCCCCC(C)OCCCN1CCCCC1 7a_100000210740_100000007876 [1,0,0,1,0,0|2,0,0]=4 51 B20R1.7588 CCCCCCCCC(C)OCCOC1CCCCC1 34a_100000210740_100011211530 [1,0,0,1,0,0|2,0,0]=4 52 B20R1.7588 CCCCCCCCC(C)OCCOC1CCCCC1 7a_100000210740_100011211530 [1,0,0,1,0,0|2,0,0]=4 53 B20R1.7607 CCCCCCCCC(C)CNCCCC1CCCC1 270004a_100000736752_100011995885 [1,0,0,1,0,0|1,0,0]=3 54 B20R1.7607 CCCCCCCCC(C)NCCCOC1CCCC1 270004a_100000747560_100011216694 [1,0,0,1,0,0|2,0,0]=4 55 B20R1.7624 CCCCCCCCC(C)N1CCCCC1CCOC 270004a_100015186528_100011216694 [1,0,0,1,0,0|2,0,0]=4 56 B20R1.32767 CCCCCCCCCCN1CCCC(C1)OCCC 2230a_100000743837_100000210320 [1,0,0,1,0,0|2,0,0]=4 57 B20R1.32767 CCCCCCCCCCN1CCCC(C1)OCCC 269982a_100000743837_100000210320 [1,0,0,1,0,0|2,0,0]=4 58 B20R1.32767 CCCCCCCCCCN1CCCC(C1)OCCC 34a_100000743837_100000210320 [1,0,0,1,0,0|2,0,0]=4 59 B20R1.60379 CCCCCCCCC(C)OCCC1CCCCN1C 34a_100000210740_100000211948 [1,0,0,1,0,0|2,0,0]=4 60 B20R1.60379 CCCCCCCCC(C)OCCC1CCCCN1C 7a_100000210740_100000211948 [1,0,0,1,0,0|2,0,0]=4 61 B20R1.61301 CCCCCCCCCCC(C)N1CCOC[C@@H]1CC 270004a_100016988097_200011219864 [1,0,0,1,0,0|2,0,0]=4 62 B20R1.61301 CCCCCCCCCCN(C)C1CCCCC1OC 270004a_100000207566_100000740605 [1,0,0,1,0,0|2,0,0]=4 63 B20R1.61305 CCCCCCCCCCC(C)N1CCC[C@H]1COC 270004a_100020646714_200011219864 [1,0,0,1,0,0|2,0,0]=4 64 B20R1.61308 CCCCCCCCCCC(C)N[C@@H]1CCCC[C@H]1F 270004a_100015195156_200011219864 [1,0,0,1,0,0|2,0,0]=4 65 B20R1.61308 CCCCCCCCCCC(C)OC1CCCCC1O 34a_100011215000_100000038908 [1,0,0,1,0,0|2,0,0]=4 66 B20R1.65916 CCCCCCCCCCC(C)OCCN1CCCC1 7a_100011215000_100000004467 [1,0,0,1,0,0|2,0,0]=4 67 B20R1.65916 CCCCCCCCCCN(C)CCCC1CCCO1 2230a_100011698863_100000210320 [1,0,0,1,0,0|2,0,0]=4 68 B20R1.65916 CCCCCCCCCCN(C)CCCC1CCCO1 269982a_100011698863_100000210320 [1,0,0,1,0,0|2,0,0]=4 69 B20R1.65916 CCCCCCCCCCN(C)CCCC1CCCO1 34a_100011698863_100000210320 [1,0,0,1,0,0|2,0,0]=4 70 B20R1.680846 CCCCCCCCC(C)CNCC1CCCCCC1 270004a_100015204231_100011995885 [1,0,0,1,0,0|1,0,0]=3 71 B20R1.680846 CCCCCCCCC(C)OCCN1CCCCCC1 7a_100000210740_100000722644 [1,0,0,1,0,0|2,0,0]=4 72 B22R1.521934 CCCCCCCCCCN(CC)CCN1CCCCCC1 2230a_100000731084_100000210320 [0,1,0,1,0,0|2,0,0]=4 73 B22R1.521934 CCCCCCCCCCN(CC)CCN1CCCCCC1 269982a_100000731084_100000210320 [0,1,0,1,0,0|2,0,0]=4 74 B22R1.1399832 CCCCCCCCC(CC)NCCCN1CCCCCC1 270004a_100000181460_200011217995 [0,1,0,1,0,0|2,0,0]=4 75 B22R1.147 CCCCCCCC1CCC(CC1)NCCCCCCCO 270004a_100011996573_100034330914 [0,1,0,1,0,0|2,0,0]=4 76 B22R1.147 CCCCCCCC1CCC(CC1)NCCCOCCCC 270004a_200000211371_100034330914 [0,1,0,1,0,0|2,0,0]=4 77 B22R1.2646 CCCCCCCCCCN1CCN(CC1)CCCCCC 2230a_100011219892_100000210320 [0,1,0,1,0,0|2,0,0]=4 78 B22R1.2646 CCCCCCCCCCN1CCN(CC1)CCCCCC 2230a_200000297485_100000210314 [0,1,0,1,0,0|2,0,0]=4 79 B22R1.2646 CCCCCCCCCCN1CCN(CC1)CCCCCC 269982a_100011219892_100000210320 [0,1,0,1,0,0|2,0,0]=4 80 B22R1.2646 CCCCCCCCCCN1CCN(CC1)CCCCCC 269982a_200000297485_100000210757 [0,1,0,1,0,0|2,0,0]=4 81 B22R1.70994 CCCCCCCCNC1CCCCCCCCCCC1=O 2230a_100000229939_200009990614 [0,1,0,1,0,0|0,0,2]=4 82 B22R1.70994 CCCCCCCCNC1CCCCCCCCCCC1=O 34a_100000229939_200009990614 [0,1,0,1,0,0|0,0,2]=4 83 B22R1.258 CCCCCCCCN1CCN(CC1)CCCCCCCC 2230a_200011216280_100000210759 [0,1,0,1,0,0|2,0,0]=4 84 B22R1.258 CCCCCCCCN1CCN(CC1)CCCCCCCC 269982a_200011216280_100000210759 [0,1,0,1,0,0|2,0,0]=4 85 B22R1.5531 CCCCCC1CCC(CC1)NCCCCCCCCCO 270004a_100000078944_100000004394 [0,1,0,1,0,0|2,0,0]=4 86 B22R1.5531 CCCCCC1CCC(CC1)OCCCCCCCCCO 34a_100000066488_100009813782 [0,1,0,1,0,0|2,0,0]=4 87 B22R1.5531 CCCCCC1CCC(CC1)OCCCCCCCCCO 7a_100000066488_100009813782 [0,1,0,1,0,0|2,0,0]=4 88 B22R1.69463 CCCCCCCCC(CC)NCCCN1CCCCC1C 270004a_100000212276_200011217995 [0,1,0,1,0,0|2,0,0]=4 89 B22R1.69509 CCCCCCCCC(CC)NCCCCN1CCCCC1 270004a_200011207366_200011217995 [0,1,0,1,0,0|2,0,0]=4 90 B22R1.69509 CCCCCCCCC(CC)NCCCOC1CCCCC1 270004a_100000205933_200011217995 [0,1,0,1,0,0|2,0,0]=4 91 B22R1.69527 CCCCCCCCC(CC)NCCN1CCCCC1CC 270004a_100000755458_200011217995 [0,1,0,1,0,0|2,0,0]=4 92 B22R1.69539 CCCCCCCCC(CC)N1CCCCC1CCCOC 270004a_100011804088_200011217995 [0,1,0,1,0,0|2,0,0]=4