0 B12R1.1618 C#CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.1618 C=CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210623 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.1618 CC1(OCCO1)CC(=O)CC#N 1458a_100000137474_100011214920 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.1618 CC1(OCCO1)CC(=O)CCF 1458a_100000137474_100011217306 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.1618 CC1(OCCO1)CC(=O)CCO 1458a_100000137474_100000211926 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.1618 CCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210303 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.1618 CCCN(C)CC1(OCCO1)C 269982a_100000747261_100009818610 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.1618 CCNC(=O)CC1(OCCO1)C 11a_100015525214_100000137474 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.1618 CCNC(=O)CC1(OCCO1)C 527a_100015525214_100000137474 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.1618 CN(CCO)CC1(OCCO1)C 269982a_100000210263_100009818610 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.1618 CNNC(=O)CC1(OCCO1)C 22a_100016993582_100000137474 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.30 C#CCC(=O)CC1OCCO1 1458a_100011220946_100000755774 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.30 C=CCC(=O)CC1OCCO1 1458a_100000210193_100000755774 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.30 CC#CC(=O)CC1CCCO1 1458a_100000763181_100000203698 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.30 CC#CC(=O)CC1OCCO1 1458a_100000763181_100000755774 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.30 CC=CC(=O)CC1CCCO1 1458a_100000210699_100000203698 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.30 CC=CC(=O)CC1OCCO1 1458a_100000210699_100000755774 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.30 CCCN(C)CC1OCCO1 2230a_100000747261_100000755774 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.30 CCCN(C)CC1OCCO1 2230a_200000032744_100000210303 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.30 CCCN(C)CC1OCCO1 269982a_100000747261_100000755774 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.30 CCCN(C)CC1OCCO1 269982a_200000032744_100000210303 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.30 CCCN(C)CC1OCCO1 34a_200000032744_100000210303 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.30 COCC(=O)CC1CCCO1 1458a_100000210968_100000203698 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.30 COCC(=O)CC1OCCO1 1458a_100000210968_100000755774 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.30 CSCC(=O)CC1CCCO1 1458a_100000184570_100000203698 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.30 CSCC(=O)CC1OCCO1 1458a_100000184570_100000755774 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.30 N#CCC(=O)CC1OCCO1 1458a_100051588842_100000755774 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.30 O=C(C=CBr)CC1OCCO1 1458a_100016273825_100000755774 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.30 O=C(C=CCl)CC1OCCO1 1458a_200016279998_100000755774 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.30 O=C(C=CI)CC1OCCO1 1458a_100016256311_100000755774 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.30 O=C(CCO)CC1OCCO1 1458a_100011216618_100000755774 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.756 CC1(OCCO1)CCCS[13CH3] 62a_100000037737_200025704644 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.756 CC1(OCCO1)CCCS[13CH3] 62a_200025704644_100000037737 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.756 CC1(OCCO1)CCOCF 7a_100009861814_100015361967 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.756 CC1(OCCO1)CCSCF 62a_100000758764_100015361967 [1,0,0,0,0,0|1,1,1]=4 45 B11R1.756 CC1(OCCO1)CCSCF 62a_100015361967_100000758764 [1,0,0,0,0,0|1,1,1]=4 46 B11R1.756 CC1(OCCO1)CNCCF 2230a_100000691740_100011217306 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.756 CC1(OCCO1)CNCCO 2230a_100000691740_100000211926 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.756 CC1(OCCO1)CSCCF 62a_100009818610_100011217306 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.756 CC1(OCCO1)CSCCF 62a_100011217306_100009818610 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.756 CC1(OCCO1)CSCCO 62a_100000211926_100009818610 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.756 CC1(OCCO1)CSCCO 62a_100009818610_100000211926 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.756 CCCNCC1(OCCO1)C 2230a_100000691740_100000210303 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.756 CCCSCC1(OCCO1)C 62a_100000210303_100009818610 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.756 CCCSCC1(OCCO1)C 62a_100009818610_100000210303 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.756 CCNCCC1(OCCO1)C 2230a_100000073055_100000210202 [1,0,0,0,0,0|1,0,1]=3 56 B11R1.756 CCNCCC1(OCCO1)C 2230a_100015525214_100000758764 [1,0,0,0,0,0|1,0,1]=3 57 B11R1.756 CCOCCC1(OCCO1)C 34a_100121572206_100000758764 [1,0,0,0,0,0|0,0,1]=2 58 B11R1.756 CCOCCC1(OCCO1)C 7a_100009861814_100000210202 [1,0,0,0,0,0|0,0,1]=2 59 B11R1.756 CCSCCC1(OCCO1)C 62a_100000210202_100000758764 [1,0,0,0,0,0|0,1,1]=3 60 B11R1.756 CCSCCC1(OCCO1)C 62a_100000758764_100000210202 [1,0,0,0,0,0|0,1,1]=3 61 B11R1.756 CNCCCC1(OCCO1)C 2230a_106832991635_100000037737 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.756 CNCCCC1(OCCO1)C 34a_100102657272_100000037737 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.756 CNCCCC1(OCCO1)C 7a_106832991635_100000037737 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.756 COCCCC1(OCCO1)C 34a_100138415774_100000037737 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.756 COCNCC1(OCCO1)C 2230a_100000691740_100000766300 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.756 COCSCC1(OCCO1)C 62a_100000766300_100009818610 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.756 COCSCC1(OCCO1)C 62a_100009818610_100000766300 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.756 CSCCCC1(OCCO1)C 62a_100000037737_200000210301 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.756 CSCCCC1(OCCO1)C 62a_200000210301_100000037737 [1,0,0,0,0,0|2,0,1]=4 70 B11R1.756 CSCNCC1(OCCO1)C 2230a_100000691740_100011218213 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.756 CSCSCC1(OCCO1)C 62a_100009818610_100011218213 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.756 CSCSCC1(OCCO1)C 62a_100011218213_100009818610 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.895 CC1(OCCO1)CC(=O)CF 1458a_100000137474_100015361967 [1,0,0,0,0,0|1,0,0]=2 74 B11R1.895 CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210202 [1,0,0,0,0,0|0,0,0]=1 75 B11R1.895 CCN(C)CC1(OCCO1)C 269982a_100000225621_100009818610 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.895 CNC(=O)CC1(OCCO1)C 11a_106832991635_100000137474 [1,0,0,0,0,0|1,0,0]=2 77 B11R1.895 CNC(=O)CC1(OCCO1)C 527a_100102657272_100000137474 [1,0,0,0,0,0|1,0,0]=2 78 B13R1.2547 C#CCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000753159 [0,1,0,0,0,0|1,0,1]=3 79 B13R1.2547 C#CCNC(=O)CC1(OCCO1)C 11a_100000212058_100000137474 [0,1,0,0,0,0|1,0,1]=3 80 B13R1.2547 C#CCNC(=O)CC1(OCCO1)C 527a_100000212058_100000137474 [0,1,0,0,0,0|1,0,1]=3 81 B13R1.2547 C/C=C/CC(=O)CC1(OCCO1)C 1458a_100000137474_100102629194 [0,1,0,0,0,0|1,0,1]=3 82 B13R1.2547 C=CCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000754431 [0,1,0,0,0,0|1,0,1]=3 83 B13R1.2547 C=CCNC(=O)CC1(OCCO1)C 527a_100020586998_100000137474 [0,1,0,0,0,0|1,0,1]=3 84 B13R1.2547 CC#CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000748600 [0,1,0,0,0,0|1,0,1]=3 85 B13R1.2547 CC1(OCCO1)CC(=O)CCC#N 1458a_100000137474_100011215226 [0,1,0,0,0,0|1,0,1]=3 86 B13R1.2547 CC1(OCCO1)CC(=O)CCCF 1458a_100000137474_100011934791 [0,1,0,0,0,0|1,0,0]=2 87 B13R1.2547 CC1(OCCO1)CC(=O)CCCO 1458a_100000137474_100011215043 [0,1,0,0,0,0|1,0,0]=2 88 B13R1.2547 CC1(OCCO1)CC(=O)NCC#N 527a_100000734998_100000137474 [0,1,0,0,0,0|1,0,1]=3 89 B13R1.2547 CC1(OCCO1)CC(=O)NCCF 11a_100000724931_100000137474 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.2547 CC1(OCCO1)CC(=O)NCCF 527a_100000724931_100000137474 [0,1,0,0,0,0|1,0,0]=2 91 B13R1.2547 CC1(OCCO1)CC(=O)NCCO 527a_100000210304_100000137474 [0,1,0,0,0,0|1,0,0]=2 92 B13R1.2547 CC=CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000070051 [0,1,0,0,0,0|1,0,1]=3 93 B13R1.2547 CCCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210211 [0,1,0,0,0,0|1,0,0]=2 94 B13R1.2547 CCCCN(C)CC1(OCCO1)C 269982a_100000207549_100009818610 [0,1,0,0,0,0|3,0,0]=4 95 B13R1.2547 CCCNC(=O)CC1(OCCO1)C 11a_100020643023_100000137474 [0,1,0,0,0,0|1,0,0]=2 96 B13R1.2547 CCCNC(=O)CC1(OCCO1)C 527a_100020643023_100000137474 [0,1,0,0,0,0|1,0,0]=2 97 B13R1.2547 CCNNC(=O)CC1(OCCO1)C 22a_100000756455_100000137474 [0,1,0,0,0,0|1,0,0]=2 98 B13R1.2547 CN(CCCO)CC1(OCCO1)C 269982a_100000213112_100009818610 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.2547 COCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000233755 [0,1,0,0,0,0|1,0,0]=2 100 B13R1.2547 COCCN(C)CC1(OCCO1)C 269982a_100000743101_100009818610 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.2547 CSCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000751147 [0,1,0,0,0,0|1,0,0]=2 102 B13R1.2547 CSCCN(C)CC1(OCCO1)C 269982a_100000686725_100009818610 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.2667 C#CC(C)C(=O)CC1(OCCO1)C 1458a_100000137474_200000035995 [0,1,0,0,0,0|1,0,2]=4 104 B13R1.2667 CC(C#N)C(=O)CC1(OCCO1)C 1458a_100000137474_100000703298 [0,1,0,0,0,0|2,0,1]=4 105 B13R1.2667 CCC(C)C(=O)CC1(OCCO1)C 1458a_100000137474_100000758301 [0,1,0,0,0,0|1,0,0]=2 106 B13R1.2667 CCC(C)N(C)CC1(OCCO1)C 269982a_100000741768_100009818610 [0,1,0,0,0,0|3,0,0]=4 107 B13R1.2667 CCN(C)C(=O)CC1(OCCO1)C 11a_100000225621_100000137474 [0,1,0,0,0,0|1,0,0]=2 108 B13R1.2667 CCN(C)C(=O)CC1(OCCO1)C 527a_100000225621_100000137474 [0,1,0,0,0,0|1,0,0]=2 109 B13R1.3668 CCCN(CC)CC1(OCCO1)C 269982a_100000226822_100009818610 [0,1,0,0,0,0|3,0,0]=4 110 B13R1.7476 C=C(C)CC(=O)CC1(OCCO1)C 1458a_100000137474_100000748629 [0,1,0,0,0,0|1,0,1]=3 111 B13R1.7476 C=C(F)CC(=O)CC1(OCCO1)C 1458a_100000137474_100009893438 [0,1,0,0,0,0|1,0,2]=4 112 B13R1.7476 CC(C)CC(=O)CC1(OCCO1)C 1458a_100000137474_100000210624 [0,1,0,0,0,0|1,0,0]=2 113 B13R1.7476 CC(C)CN(C)CC1(OCCO1)C 269982a_100000747067_100009818610 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.7476 CC(C)NC(=O)CC1(OCCO1)C 11a_100138425928_100000137474 [0,1,0,0,0,0|1,0,0]=2 115 B13R1.7476 CC(C)NC(=O)CC1(OCCO1)C 527a_100138425928_100000137474 [0,1,0,0,0,0|1,0,0]=2 116 B13R1.7476 CC(O)CC(=O)CC1(OCCO1)C 1458a_100000137474_100011218427 [0,1,0,0,0,0|1,0,0]=2 117 B13R1.7476 CC(O)CN(C)CC1(OCCO1)C 269982a_100000227577_100009818610 [0,1,0,0,0,0|3,0,0]=4 118 B13R1.7476 CC1(OCCO1)CC(=O)CC(=O)N 1458a_100000137474_100000187820 [0,1,0,0,0,0|2,0,1]=4 119 B13R1.7476 CC1(OCCO1)CC(=O)CC(=O)[O-] 1458a_100000137474_100020667443 [0,1,0,0,0,0|2,0,1]=4 120 B13R1.7476 CC1(OCCO1)CC(=O)CC(F)F 1458a_100000137474_100011934356 [0,1,0,0,0,0|2,0,0]=3 121 B13R1.7476 CC1(OCCO1)CC(=O)C[N+](=O)[O-] 1458a_100000137474_100000761209 [0,1,0,0,0,0|3,0,0]=4 122 B11R0.5 C#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000038162 [0,0,1,0,0,0|1,0,1]=3 123 B11R0.5 C#CCSC(C)CC(=O)OCC 62a_100000038162_100009817359 [0,0,1,0,0,0|1,1,1]=4 124 B11R0.5 C=CCNC(C)CC(=O)OCC 2230a_100020586998_100009817359 [0,0,1,0,0,0|2,0,1]=4 125 B11R0.5 C=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100015514636 [0,0,1,0,0,0|1,0,1]=3 126 B11R0.5 C=CCSC(C)CC(=O)OCC 62a_100000210623_100009817359 [0,0,1,0,0,0|1,1,1]=4 127 B11R0.5 C=CCSC(C)CC(=O)OCC 62a_100009817359_100000210623 [0,0,1,0,0,0|1,1,1]=4 128 B11R0.5 CCCC(=O)CN(C)CCCO 2230a_100000213112_100000747444 [0,0,1,0,0,0|3,0,0]=4 129 B11R0.5 CCCC(=O)CN(C)CCCO 269982a_100000213112_100000747444 [0,0,1,0,0,0|3,0,0]=4 130 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [0,0,1,0,0,0|3,0,0]=4 131 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [0,0,1,0,0,0|3,0,0]=4 132 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [0,0,1,0,0,0|3,0,0]=4 133 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [0,0,1,0,0,0|1,0,0]=2 134 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [0,0,1,0,0,0|1,1,0]=3 135 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [0,0,1,0,0,0|1,1,0]=3 136 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [0,0,1,0,0,0|2,1,0]=4 137 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [0,0,1,0,0,0|2,1,0]=4 138 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000213112_100000183381 [0,0,1,0,0,0|3,0,0]=4 139 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000741943_100000230001 [0,0,1,0,0,0|3,0,0]=4 140 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000213112_100000183381 [0,0,1,0,0,0|3,0,0]=4 141 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000741943_100011215043 [0,0,1,0,0,0|3,0,0]=4 142 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [0,0,1,0,0,0|2,0,1]=4 143 B11R0.5 CCOC(=O)CC(=O)NCCO 240690a_100000210304_100000243816 [0,0,1,0,0,0|2,0,1]=4 144 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [0,0,1,0,0,0|1,0,0]=2 145 B11R0.5 CCOC(=O)CC(C)SCC#N 62a_100009817359_100011215382 [0,0,1,0,0,0|1,1,1]=4 146 B11R0.5 CCOC(=O)CC(C)SCC#N 62a_100011215382_100009817359 [0,0,1,0,0,0|1,1,1]=4 147 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_100009817359_200015260668 [0,0,1,0,0,0|0,1,2]=4 148 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_200015260668_100009817359 [0,0,1,0,0,0|0,1,2]=4 149 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [0,0,1,0,0,0|1,1,0]=3 150 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [0,0,1,0,0,0|1,1,0]=3 151 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [0,0,1,0,0,0|0,1,0]=2 152 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [0,0,1,0,0,0|0,1,0]=2 153 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [0,0,1,0,0,0|2,1,0]=4 154 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [0,0,1,0,0,0|2,1,0]=4 155 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [0,0,1,0,0,0|2,1,0]=4 156 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [0,0,1,0,0,0|2,1,0]=4 157 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [0,0,1,0,0,0|3,0,0]=4 158 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [0,0,1,0,0,0|2,0,0]=3 159 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [0,0,1,0,0,0|2,0,0]=3 160 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [0,0,1,0,0,0|2,0,0]=3 161 B11R0.5 CCOC(=O)C[C@@H](C)OCC#N 7a_100009816390_100011215382 [0,0,1,0,0,0|1,0,1]=3 162 B11R0.5 CCOC(=O)C[C@@H](C)OCC=O 7a_100009816390_200015260668 [0,0,1,0,0,0|0,0,2]=3 163 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [0,0,1,0,0,0|1,0,0]=2 164 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [0,0,1,0,0,0|0,0,0]=1 165 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100000036008_100011217306 [0,0,1,0,0,0|2,1,0]=4 166 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100011217306_100000036008 [0,0,1,0,0,0|2,1,0]=4 167 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000036008_100000211926 [0,0,1,0,0,0|1,1,0]=3 168 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000211926_100000036008 [0,0,1,0,0,0|1,1,0]=3 169 B11R0.353 CCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210303 [0,0,1,0,0,0|2,0,0]=3 170 B11R0.353 CCCC(=O)C[Si](C)(C)OCC 1458a_100000211992_200000065227 [0,0,1,0,0,0|2,1,0]=4 171 B11R0.353 CCCC(C)(O)CC(=O)CCF 1458a_100011667670_100011217306 [0,0,1,0,0,0|3,0,0]=4 172 B11R0.353 CCCC(C)(O)CC(=O)CCO 1458a_100011667670_100000211926 [0,0,1,0,0,0|3,0,0]=4 173 B11R0.353 CCCC(C)(O)CC(=O)NCC 240690a_100015525214_100011667670 [0,0,1,0,0,0|2,0,0]=3 174 B11R0.353 CCCC(C)(O)CC(=O)NCC 527a_100015525214_100011667670 [0,0,1,0,0,0|2,0,0]=3 175 B11R0.353 CCCC(C)(O)CC(=O)NNC 22a_100016993582_100011667670 [0,0,1,0,0,0|3,0,0]=4 176 B11R0.353 CCOC(=O)CC(C)(C)OCC 7a_100000765344_100000210202 [0,0,1,0,0,0|1,0,0]=2 177 B11R0.353 CCOC(=O)CC(C)(C)OCF 7a_100000765344_100015361967 [0,0,1,0,0,0|2,0,0]=3 178 B11R0.354 CCCC(=O)CP(=O)(OC)OC 1458a_100000034275_100000210303 [0,0,1,0,0,0|3,0,0]=4 179 B11R0.354 CCCN(C)CC(C)(OC)OC 2230a_100000747261_100000064154 [0,0,1,0,0,0|3,0,0]=4 180 B11R0.354 CCCN(C)CC(C)(OC)OC 269982a_100000747261_100000766008 [0,0,1,0,0,0|3,0,0]=4 181 B11R0.354 CCNC(=O)CP(=O)(OC)OC 240690a_100015525214_100000034275 [0,0,1,0,0,0|3,0,0]=4 182 B11R0.354 CCNC(=O)CP(=O)(OC)OC 527a_100015525214_100000034275 [0,0,1,0,0,0|3,0,0]=4 183 B13R2.3594 CC1(OCCO1)CN2CCCC2 269982a_100000188435_100009818610 [0,0,0,1,0,0|3,0,0]=4 184 B13R2.5296 CC1CN(C1)CC2(OCCO2)C 269982a_100000702820_100009818610 [0,0,0,1,0,0|3,0,0]=4 185 B13R2.8017 CCCN1CCC2(C1)OCCO2 2230a_100000059453_100000210303 [0,0,0,1,0,0|3,0,0]=4 186 B13R2.8017 CCCN1CCC2(C1)OCCO2 269982a_100000059453_100000210303 [0,0,0,1,0,0|3,0,0]=4 187 B13R2.23398 CN(CC1(OCCO1)C)C2CC2 269982a_100000226674_100009818610 [0,0,0,1,0,0|3,0,0]=4 188 B11R1.819 CC1(CCCO1)C(=O)CCF 1458a_100000684770_100011217306 [0,0,0,0,1,0|3,0,0]=4 189 B11R1.819 CC1(CCCO1)C(=O)CCO 1458a_100000684770_100000211926 [0,0,0,0,1,0|3,0,0]=4 190 B11R1.819 CCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210303 [0,0,0,0,1,0|3,0,0]=4 191 B11R1.819 CCCC(=O)C1(CCCO1)C 1458a_100000684770_100000210303 [0,0,0,0,1,0|2,0,0]=3 192 B11R1.819 CCNC(=O)C1(CCCC1)C 11a_100015525214_100000239728 [0,0,0,0,1,0|3,0,0]=4 193 B11R1.819 CCNC(=O)C1(CCCC1)C 240690a_100015525214_100000239728 [0,0,0,0,1,0|3,0,0]=4 194 B11R1.819 CCNC(=O)C1(CCCC1)C 527a_100015525214_100000239728 [0,0,0,0,1,0|3,0,0]=4 195 B11R1.819 CCNC(=O)C1(CCCO1)C 11a_100015525214_100000684770 [0,0,0,0,1,0|2,0,0]=3 196 B11R1.819 CCNC(=O)C1(CCCO1)C 240690a_100015525214_100000684770 [0,0,0,0,1,0|2,0,0]=3 197 B11R1.819 CCNC(=O)C1(CCCO1)C 527a_100015525214_100000684770 [0,0,0,0,1,0|2,0,0]=3 198 B11R1.819 CNNC(=O)C1(CCCO1)C 22a_100016993582_100000684770 [0,0,0,0,1,0|3,0,0]=4 199 B11R1.840 CC#CC(=O)CC1(CCC1)C 1458a_100000763181_100000726658 [0,0,0,0,1,0|2,0,1]=4 200 B11R1.840 CC1(CCC1)CC(=O)CCO 1458a_100011216618_100000726658 [0,0,0,0,1,0|3,0,0]=4 201 B11R1.840 CC=CC(=O)CC1(CCC1)C 1458a_100000210699_100000726658 [0,0,0,0,1,0|2,0,1]=4 202 B11R1.840 CCCC(=O)CC1(CCC1)C 1458a_100000211992_100000726658 [0,0,0,0,1,0|2,0,0]=3 203 B11R1.840 CCCC(=O)CC1(COC1)C 1458a_100000211992_100000066812 [0,0,0,0,1,0|3,0,0]=4 204 B11R1.840 CCCC(=O)NC1(CCC1)C 11a_100000692455_100000211992 [0,0,0,0,1,0|3,0,0]=4 205 B11R1.840 CCCC(=O)NC1(CCC1)C 1626a_100000692455_100000211992 [0,0,0,0,1,0|3,0,0]=4 206 B11R1.840 CCCC(=O)NC1(CCC1)C 240690a_100000692455_100000211992 [0,0,0,0,1,0|3,0,0]=4 207 B11R1.840 CCCC(=O)NC1(CCC1)C 527a_100000692455_100000211992 [0,0,0,0,1,0|3,0,0]=4 208 B11R1.840 CCNC(=O)NC1(CCC1)C 2708a_100015525214_100000692455 [0,0,0,0,1,0|3,0,0]=4 209 B11R1.840 CCNC(=O)NC1(CCC1)C 273464a_100000692455_100015525214 [0,0,0,0,1,0|3,0,0]=4 210 B11R1.840 CCNC(=O)NC1(CCC1)C 273464a_100015525214_100000692455 [0,0,0,0,1,0|3,0,0]=4 211 B11R1.840 CCNC(=O)NC1(CCC1)C 512a_100000692455_100015525214 [0,0,0,0,1,0|3,0,0]=4 212 B11R1.840 CCNC(=O)NC1(CCC1)C 512a_100015525214_100000692455 [0,0,0,0,1,0|3,0,0]=4 213 B11R1.840 COCC(=O)CC1(CCC1)C 1458a_100000210968_100000726658 [0,0,0,0,1,0|3,0,0]=4 214 B11R1.840 CSCC(=O)CC1(CCC1)C 1458a_100000184570_100000726658 [0,0,0,0,1,0|3,0,0]=4 215 B13R1.1483 C#CCC(=O)CCC1(OCCO1)C 1458a_100011220946_100000758764 [0,0,0,0,0,1|1,0,2]=4 216 B13R1.1483 C#CCC(=O)NCC1(OCCO1)C 1626a_100000691740_100011220946 [0,0,0,0,0,1|1,0,2]=4 217 B13R1.1483 C#CCC(=O)NCC1(OCCO1)C 527a_100000691740_100011220946 [0,0,0,0,0,1|1,0,2]=4 218 B13R1.1483 C=CCC(=O)CCC1(OCCO1)C 1458a_100000210193_100000758764 [0,0,0,0,0,1|1,0,2]=4 219 B13R1.1483 C=CCC(=O)NCC1(OCCO1)C 11a_100000691740_100000210193 [0,0,0,0,0,1|1,0,2]=4 220 B13R1.1483 C=CCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000210193 [0,0,0,0,0,1|1,0,2]=4 221 B13R1.1483 C=CCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000210193 [0,0,0,0,0,1|1,0,2]=4 222 B13R1.1483 C=CCC(=O)NCC1(OCCO1)C 527a_100000691740_100000210193 [0,0,0,0,0,1|1,0,2]=4 223 B13R1.1483 CC#CC(=O)CCC1(OCCO1)C 1458a_100000763181_100000758764 [0,0,0,0,0,1|1,0,1]=3 224 B13R1.1483 CC1(OCCO1)CCC(=O)C=CBr 1458a_100016273825_100000758764 [0,0,0,0,0,1|2,0,1]=4 225 B13R1.1483 CC1(OCCO1)CCC(=O)C=CCl 1458a_200016279998_100000758764 [0,0,0,0,0,1|2,0,1]=4 226 B13R1.1483 CC1(OCCO1)CCC(=O)C=CI 1458a_100016256311_100000758764 [0,0,0,0,0,1|2,0,1]=4 227 B13R1.1483 CC1(OCCO1)CCC(=O)CC#N 1458a_100051588842_100000758764 [0,0,0,0,0,1|2,0,1]=4 228 B13R1.1483 CC1(OCCO1)CCC(=O)CCO 1458a_100011216618_100000758764 [0,0,0,0,0,1|2,0,0]=3 229 B13R1.1483 CC1(OCCO1)CNC(=O)C=CBr 1626a_100000691740_100016273825 [0,0,0,0,0,1|2,0,1]=4 230 B13R1.1483 CC1(OCCO1)CNC(=O)C=CBr 240690a_100000691740_100016273825 [0,0,0,0,0,1|2,0,1]=4 231 B13R1.1483 CC1(OCCO1)CNC(=O)C=CCl 11a_100000691740_200016279998 [0,0,0,0,0,1|2,0,1]=4 232 B13R1.1483 CC1(OCCO1)CNC(=O)C=CCl 1626a_100000691740_200016279998 [0,0,0,0,0,1|2,0,1]=4 233 B13R1.1483 CC1(OCCO1)CNC(=O)C=CCl 240690a_100000691740_200016279998 [0,0,0,0,0,1|2,0,1]=4 234 B13R1.1483 CC1(OCCO1)CNC(=O)C=CI 1626a_100000691740_100016256311 [0,0,0,0,0,1|2,0,1]=4 235 B13R1.1483 CC1(OCCO1)CNC(=O)CC#N 1626a_100000691740_100051588842 [0,0,0,0,0,1|2,0,1]=4 236 B13R1.1483 CC1(OCCO1)CNC(=O)CC#N 240690a_100000691740_100051588842 [0,0,0,0,0,1|2,0,1]=4 237 B13R1.1483 CC1(OCCO1)CNC(=O)CCO 240690a_100000691740_100011216618 [0,0,0,0,0,1|2,0,0]=3 238 B13R1.1483 CC=CC(=O)CCC1(OCCO1)C 1458a_100000210699_100000758764 [0,0,0,0,0,1|1,0,1]=3 239 B13R1.1483 CC=CC(=O)NCC1(OCCO1)C 11a_100000691740_100000210699 [0,0,0,0,0,1|1,0,1]=3 240 B13R1.1483 CC=CC(=O)NCC1(OCCO1)C 1626a_100000691740_100000210699 [0,0,0,0,0,1|1,0,1]=3 241 B13R1.1483 CC=CC(=O)NCC1(OCCO1)C 240690a_100000691740_100000210699 [0,0,0,0,0,1|1,0,1]=3 242 B13R1.1483 CCCC(=O)CCC1(OCCO1)C 1458a_100000211992_100000758764 [0,0,0,0,0,1|1,0,0]=2 243 B13R1.1483 CCCC(=O)COC1(CCCC1)C 7a_100000751722_100000747444 [0,0,0,0,0,1|3,0,0]=4 244 B13R1.1483 CCCC(=O)NCC1(OCCO1)C 11a_100000691740_100000211992 [0,0,0,0,0,1|1,0,0]=2 245 B13R1.1483 CCCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000211992 [0,0,0,0,0,1|1,0,0]=2 246 B13R1.1483 CCCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000211992 [0,0,0,0,0,1|1,0,0]=2 247 B13R1.1483 CCCC(=O)NCC1(OCCO1)C 527a_100000691740_100000211992 [0,0,0,0,0,1|1,0,0]=2 248 B13R1.1483 CCCC(C)NCC1(OCCO1)C 2230a_100000691740_100000766640 [0,0,0,0,0,1|2,0,1]=4 249 B13R1.1483 CCCC(C)NCC1(OCCO1)C 270004a_100000691740_100000211909 [0,0,0,0,0,1|2,0,1]=4 250 B13R1.1483 CCCC(C)SCC1(OCCO1)C 62a_100000766640_100009818610 [0,0,0,0,0,1|2,0,1]=4 251 B13R1.1483 CCCC(C)SCC1(OCCO1)C 62a_100009818610_100000766640 [0,0,0,0,0,1|2,0,1]=4 252 B13R1.1483 CCCN(C)CCC1(OCCO1)C 2230a_100000747261_100000758764 [0,0,0,0,0,1|3,0,0]=4 253 B13R1.1483 CCCN(C)CCC1(OCCO1)C 269982a_100000747261_100000758764 [0,0,0,0,0,1|3,0,0]=4 254 B13R1.1483 CCNC(=O)COC1(CCCC1)C 34a_100000751722_100000183381 [0,0,0,0,0,1|3,0,0]=4 255 B13R1.1483 CCNC(=O)COC1(CCCC1)C 7a_100000751722_100000183381 [0,0,0,0,0,1|3,0,0]=4 256 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 2708a_100000691740_100015525214 [0,0,0,0,0,1|1,0,0]=2 257 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 2708a_100015525214_100000691740 [0,0,0,0,0,1|1,0,0]=2 258 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 273464a_100000691740_100015525214 [0,0,0,0,0,1|1,0,0]=2 259 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 273464a_100015525214_100000691740 [0,0,0,0,0,1|1,0,0]=2 260 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 512a_100000691740_100015525214 [0,0,0,0,0,1|1,0,0]=2 261 B13R1.1483 CCNC(=O)NCC1(OCCO1)C 512a_100015525214_100000691740 [0,0,0,0,0,1|1,0,0]=2 262 B13R1.1483 CCOC(=O)CNC1(CCOC1)C 2230a_100000693475_100000188475 [0,0,0,0,0,1|3,0,0]=4 263 B13R1.1483 CCOC(=O)COC1(CCCC1)C 34a_100000751722_100000188475 [0,0,0,0,0,1|2,0,0]=3 264 B13R1.1483 CCOC(=O)COC1(CCCC1)C 7a_100000751722_100000188475 [0,0,0,0,0,1|2,0,0]=3 265 B13R1.1483 CNNC(=O)NCC1(OCCO1)C 273464a_100000691740_100016993582 [0,0,0,0,0,1|2,0,0]=3 266 B13R1.1483 CNNC(=O)NCC1(OCCO1)C 512a_100000691740_100016993582 [0,0,0,0,0,1|2,0,0]=3 267 B13R1.1483 CNNC(=O)NCC1(OCCO1)C 512a_100016993582_100000691740 [0,0,0,0,0,1|2,0,0]=3 268 B13R1.1483 COCC(=O)CCC1(OCCO1)C 1458a_100000210968_100000758764 [0,0,0,0,0,1|2,0,0]=3 269 B13R1.1483 COCC(=O)NCC1(OCCO1)C 11a_100000691740_100000210968 [0,0,0,0,0,1|2,0,0]=3 270 B13R1.1483 COCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000210968 [0,0,0,0,0,1|2,0,0]=3 271 B13R1.1483 COCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000210968 [0,0,0,0,0,1|2,0,0]=3 272 B13R1.1483 COCC(=O)NCC1(OCCO1)C 527a_100000691740_100000210968 [0,0,0,0,0,1|2,0,0]=3 273 B13R1.1483 CSCC(=O)CCC1(OCCO1)C 1458a_100000184570_100000758764 [0,0,0,0,0,1|2,0,0]=3 274 B13R1.1483 CSCC(=O)NCC1(OCCO1)C 11a_100000691740_100000184570 [0,0,0,0,0,1|2,0,0]=3 275 B13R1.1483 CSCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000184570 [0,0,0,0,0,1|2,0,0]=3 276 B13R1.1483 CSCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000184570 [0,0,0,0,0,1|2,0,0]=3 277 B13R1.1483 CSCC(=O)NCC1(OCCO1)C 527a_100000691740_100000184570 [0,0,0,0,0,1|2,0,0]=3 278 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [1,0,1,0,0,0|1,0,1]=4 279 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [1,0,1,0,0,0|1,0,1]=4 280 B10R0.1 CC#CC(=O)CCOCCO 1458a_100000763181_100011215305 [1,0,1,0,0,0|1,0,1]=4 281 B10R0.1 CC=CC(=O)CCOCCO 1458a_100000210699_100011215305 [1,0,1,0,0,0|1,0,1]=4 282 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,0,1,0,0,0|2,0,0]=4 283 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,0,1,0,0,0|2,0,0]=4 284 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [1,0,1,0,0,0|1,0,0]=3 285 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [1,0,1,0,0,0|1,0,0]=3 286 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,0,1,0,0,0|2,0,0]=4 287 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,0,1,0,0,0|1,0,0]=3 288 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,0,1,0,0,0|1,1,0]=4 289 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,0,1,0,0,0|1,1,0]=4 290 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [1,0,1,0,0,0|2,0,0]=4 291 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [1,0,1,0,0,0|2,0,0]=4 292 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [1,0,1,0,0,0|2,0,0]=4 293 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [1,0,1,0,0,0|1,0,0]=3 294 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [1,0,1,0,0,0|1,1,0]=4 295 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [1,0,1,0,0,0|1,1,0]=4 296 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [1,0,1,0,0,0|2,0,0]=4 297 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [1,0,1,0,0,0|1,0,0]=3 298 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [1,0,1,0,0,0|1,0,0]=3 299 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [1,0,1,0,0,0|1,0,0]=3 300 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [1,0,1,0,0,0|1,0,0]=3 301 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [1,0,1,0,0,0|1,1,0]=4 302 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [1,0,1,0,0,0|1,1,0]=4 303 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [1,0,1,0,0,0|0,1,0]=3 304 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [1,0,1,0,0,0|0,1,0]=3 305 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [1,0,1,0,0,0|2,0,0]=4 306 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [1,0,1,0,0,0|2,0,0]=4 307 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [1,0,1,0,0,0|1,1,0]=4 308 B10R0.1 CNNC(=O)CCOCCO 22a_100016993582_100011229844 [1,0,1,0,0,0|2,0,0]=4 309 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [1,0,1,0,0,0|2,0,0]=4 310 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [1,0,1,0,0,0|2,0,0]=4 311 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [1,0,1,0,0,0|2,0,0]=4 312 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [1,0,1,0,0,0|2,0,0]=4 313 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [1,0,1,0,0,0|2,0,0]=4 314 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [1,0,1,0,0,0|2,0,0]=4 315 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [1,0,1,0,0,0|2,0,0]=4 316 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [1,0,1,0,0,0|1,1,0]=4 317 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [1,0,1,0,0,0|2,0,0]=4 318 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [1,0,1,0,0,0|2,0,0]=4 319 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [1,0,1,0,0,0|2,0,0]=4 320 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [1,0,1,0,0,0|2,0,0]=4 321 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [1,0,1,0,0,0|2,0,0]=4 322 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [1,0,1,0,0,0|2,0,0]=4 323 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [1,0,1,0,0,0|2,0,0]=4 324 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [1,0,1,0,0,0|2,0,0]=4 325 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [1,0,1,0,0,0|2,0,0]=4 326 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [1,0,1,0,0,0|2,0,0]=4 327 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [1,0,1,0,0,0|2,0,0]=4 328 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [1,0,1,0,0,0|2,0,0]=4 329 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [1,0,1,0,0,0|2,0,0]=4 330 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [1,0,1,0,0,0|2,0,0]=4 331 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [1,0,1,0,0,0|1,1,0]=4 332 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [1,0,1,0,0,0|1,1,0]=4 333 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [1,0,1,0,0,0|1,1,0]=4 334 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000210263_100000183381 [1,0,1,0,0,0|2,0,0]=4 335 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000741943_100000211926 [1,0,1,0,0,0|2,0,0]=4 336 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000210263_100000183381 [1,0,1,0,0,0|2,0,0]=4 337 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000741943_100000211926 [1,0,1,0,0,0|2,0,0]=4 338 B10R0.2 CCNC(=O)N[C@H](C)CCO 2708a_100015525214_100000706166 [1,0,1,0,0,0|2,0,0]=4 339 B10R0.2 CCNC(=O)N[C@H](C)CCO 273464a_100000706166_100015525214 [1,0,1,0,0,0|2,0,0]=4 340 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100000706166_100015525214 [1,0,1,0,0,0|2,0,0]=4 341 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100015525214_100000706166 [1,0,1,0,0,0|2,0,0]=4 342 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [1,0,1,0,0,0|1,0,0]=3 343 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [1,0,1,0,0,0|1,0,1]=4 344 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [1,0,1,0,0,0|1,0,1]=4 345 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [1,0,1,0,0,0|0,1,0]=3 346 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [1,0,1,0,0,0|0,1,0]=3 347 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [1,0,1,0,0,0|1,1,0]=4 348 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [1,0,1,0,0,0|1,1,0]=4 349 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [1,0,1,0,0,0|2,0,0]=4 350 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [1,0,1,0,0,0|1,0,0]=3 351 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [1,0,1,0,0,0|1,0,0]=3 352 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [1,0,1,0,0,0|1,0,0]=3 353 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [1,0,1,0,0,0|0,0,0]=2 354 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [1,0,1,0,0,0|1,0,0]=3 355 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [1,0,1,0,0,0|2,0,0]=4 356 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [1,0,1,0,0,0|2,0,0]=4 357 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [1,0,1,0,0,0|2,0,0]=4 358 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [1,0,1,0,0,0|2,0,0]=4 359 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [1,0,1,0,0,0|2,0,0]=4 360 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [1,0,1,0,0,0|2,0,0]=4 361 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [1,0,1,0,0,0|2,0,0]=4 362 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [1,0,1,0,0,0|1,1,0]=4 363 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [1,0,1,0,0,0|1,1,0]=4 364 B10R0.18 C#CCOC(C)CC(=O)OC 34a_100000210247_100009817358 [1,0,1,0,0,0|1,0,1]=4 365 B10R0.18 C=CCOC(C)CC(=O)OC 34a_200000210373_100009817358 [1,0,1,0,0,0|1,0,1]=4 366 B10R0.18 CCC(=O)CN(C)CCCO 269982a_100000213112_100000747405 [1,0,1,0,0,0|2,0,0]=4 367 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [1,0,1,0,0,0|1,0,0]=3 368 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [1,0,1,0,0,0|1,1,0]=4 369 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [1,0,1,0,0,0|1,1,0]=4 370 B10R0.18 COC(=O)CC(C)NCCF 34a_100000724931_100009817358 [1,0,1,0,0,0|2,0,0]=4 371 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [1,0,1,0,0,0|1,0,0]=3 372 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [1,0,1,0,0,0|1,0,0]=3 373 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [1,0,1,0,0,0|1,0,0]=3 374 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [1,0,1,0,0,0|1,0,0]=3 375 B10R0.18 COC(=O)CC(C)SCCF 62a_100009817358_100011217306 [1,0,1,0,0,0|1,1,0]=4 376 B10R0.18 COC(=O)CC(C)SCCF 62a_100011217306_100009817358 [1,0,1,0,0,0|1,1,0]=4 377 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [1,0,1,0,0,0|0,1,0]=3 378 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [1,0,1,0,0,0|0,1,0]=3 379 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [1,0,1,0,0,0|2,0,0]=4 380 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [1,0,1,0,0,0|2,0,0]=4 381 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [1,0,1,0,0,0|2,0,0]=4 382 B10R0.91 CCC#CCC(C)OCCO 34a_200000035118_100000211926 [1,0,1,0,0,0|1,0,1]=4 383 B10R0.91 CCC#CCC(C)OCCO 7a_200000035118_100000211926 [1,0,1,0,0,0|1,0,1]=4 384 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [1,0,1,0,0,0|1,0,1]=4 385 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [1,0,1,0,0,0|1,0,1]=4 386 B10R0.91 CCOCCC(C)NCCO 270004a_100000210304_200011216536 [1,0,1,0,0,0|1,0,1]=4 387 B10R0.7 CCC(C)(O)CC(=O)CCF 1458a_200011219800_100011217306 [1,0,1,0,0,0|2,0,0]=4 388 B10R0.7 CCC(C)(O)CC(=O)CCO 1458a_200011219800_100000211926 [1,0,1,0,0,0|2,0,0]=4 389 B10R0.7 CCC(C)(O)CC(=O)NNC 22a_100016993582_200011219800 [1,0,1,0,0,0|2,0,0]=4 390 B10R0.7 CCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210303 [1,0,1,0,0,0|2,0,0]=4 391 B10R0.7 CCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210303 [1,0,1,0,0,0|1,0,0]=3 392 B10R0.7 CCNC(=O)CC(C)(C)CC 11a_100015525214_200000763500 [1,0,1,0,0,0|2,0,0]=4 393 B10R0.7 CCNC(=O)CC(C)(C)CC 240690a_100015525214_200000763500 [1,0,1,0,0,0|2,0,0]=4 394 B10R0.7 CCNC(=O)CC(C)(C)CC 527a_100015525214_200000763500 [1,0,1,0,0,0|2,0,0]=4 395 B10R0.7 CCNC(=O)CC(C)(O)CC 240690a_100015525214_200011219800 [1,0,1,0,0,0|1,0,0]=3 396 B10R0.7 CCNC(=O)CC(C)(O)CC 527a_100015525214_200011219800 [1,0,1,0,0,0|1,0,0]=3 397 B10R0.7 CCOC(=O)CC(C)(C)OC 7a_100000765344_200000210301 [1,0,1,0,0,0|0,0,0]=2 398 B10R0.7 CCOC(=O)CC(C)(C)O[13CH3] 7a_100000765344_200025704644 [1,0,1,0,0,0|0,0,0]=2 399 B10R0.7 CCOC(C)CC(C)(C)OC 7a_200011252547_100000210202 [1,0,1,0,0,0|1,0,1]=4 400 B10R0.148 CCCC(C)(O)CC(=O)CC 1458a_100011667670_100000210202 [1,0,1,0,0,0|1,0,0]=3 401 B10R0.148 CCCC(C)(O)CC(=O)CF 1458a_100011667670_100015361967 [1,0,1,0,0,0|2,0,0]=4 402 B10R0.148 CCCC(C)(O)CC(=O)NC 240690a_100102657272_100011667670 [1,0,1,0,0,0|2,0,0]=4 403 B10R0.148 CCCC(C)(O)CC(=O)NC 527a_100102657272_100011667670 [1,0,1,0,0,0|2,0,0]=4 404 B10R0.148 CCOC(C)(C)CC(=O)OC 7a_100015205050_100000210202 [1,0,1,0,0,0|1,0,0]=3 405 B10R0.148 CCO[Si](C)(C)CC(=O)CC 1458a_100000210414_200000065227 [1,0,1,0,0,0|1,1,0]=4 406 B10R0.148 COC(=O)CC(C)(C)OCF 7a_100015205050_100015361967 [1,0,1,0,0,0|2,0,0]=4 407 B10R0.34 CC#CC(=O)CC(OC)OC 1458a_100000763181_100000751394 [1,0,1,0,0,0|1,0,1]=4 408 B10R0.34 CC=CC(=O)CC(OC)OC 1458a_100000210699_100000751394 [1,0,1,0,0,0|1,0,1]=4 409 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000082724_100000210303 [1,0,1,0,0,0|1,0,0]=3 410 B10R0.34 CCCC(=O)CC(OC)OC 1458a_100000211992_100000751394 [1,0,1,0,0,0|1,0,0]=3 411 B10R0.34 CCNC(=O)CC(OC)OC 11a_100015525214_100000082724 [1,0,1,0,0,0|1,0,0]=3 412 B10R0.34 CCNC(=O)CC(OC)OC 240690a_100015525214_100000082724 [1,0,1,0,0,0|1,0,0]=3 413 B10R0.34 CCNC(=O)CC(OC)OC 527a_100015525214_100000082724 [1,0,1,0,0,0|1,0,0]=3 414 B10R0.34 CCOC(=O)C[C@@H](CCl)OC 7a_100000688340_200000210301 [1,0,1,0,0,0|2,0,0]=4 415 B10R0.34 CCOC(=O)C[C@@H](CCl)O[13CH3] 7a_100000688340_200025704644 [1,0,1,0,0,0|2,0,0]=4 416 B10R0.34 CCOC(C)CC(OC)OC 7a_100011018202_100000210202 [1,0,1,0,0,0|1,0,1]=4 417 B10R0.34 CNNC(=O)CC(OC)OC 22a_100016993582_100000082724 [1,0,1,0,0,0|2,0,0]=4 418 B10R0.34 COC(CC(=O)CCF)OC 1458a_100000082724_100011217306 [1,0,1,0,0,0|2,0,0]=4 419 B10R0.34 COC(CC(=O)CCO)OC 1458a_100000082724_100000211926 [1,0,1,0,0,0|2,0,0]=4 420 B10R0.34 COC(CC(=O)CCO)OC 1458a_100011216618_100000751394 [1,0,1,0,0,0|2,0,0]=4 421 B10R0.34 COC(CC(=O)CSC)OC 1458a_100000184570_100000751394 [1,0,1,0,0,0|2,0,0]=4 422 B10R0.34 COCC(=O)CC(OC)OC 1458a_100000210968_100000751394 [1,0,1,0,0,0|2,0,0]=4 423 B10R0.134 CCC(=O)CP(=O)(OC)OC 1458a_100000034275_100000210202 [1,0,1,0,0,0|2,0,0]=4 424 B10R0.134 CCN(C)CC(C)(OC)OC 2230a_100000225621_100000064154 [1,0,1,0,0,0|2,0,0]=4 425 B10R0.134 CCN(C)CC(C)(OC)OC 269982a_100000225621_100000766008 [1,0,1,0,0,0|2,0,0]=4 426 B10R0.157 CCCNCC(C)(OC)OC 2230a_100000732740_100000210303 [1,0,1,0,0,0|2,0,0]=4 427 B10R0.157 CCCOCC(C)(OC)OC 34a_100000210258_100000766008 [1,0,1,0,0,0|2,0,0]=4 428 B10R0.157 CCCSCC(C)(OC)OC 62a_100000210303_100000766008 [1,0,1,0,0,0|2,0,0]=4 429 B10R0.157 CCCSCC(C)(OC)OC 62a_100000766008_100000210303 [1,0,1,0,0,0|2,0,0]=4 430 B10R1.21 CCCNCC1OCCO1 2230a_100000036311_100000210303 [2,0,0,0,0,0|2,0,0]=4 431 B10R1.21 CCCNCC1OCCO1 34a_100000036311_100000210303 [2,0,0,0,0,0|2,0,0]=4 432 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [2,0,0,0,0,0|2,0,0]=4 433 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [2,0,0,0,0,0|2,0,0]=4 434 B10R1.21 CCCSCC1OCCO1 62a_100000210303_100000755774 [2,0,0,0,0,0|2,0,0]=4 435 B10R1.21 CCCSCC1OCCO1 62a_100000755774_100000210303 [2,0,0,0,0,0|2,0,0]=4 436 B10R1.21 CCNCCC1OCCO1 2230a_100000034215_100000210202 [2,0,0,0,0,0|1,0,1]=4 437 B10R1.21 CCNCCC1OCCO1 2230a_100015525214_100000740749 [2,0,0,0,0,0|1,0,1]=4 438 B10R1.21 CCNCCC1OCCO1 34a_100000034215_100000210202 [2,0,0,0,0,0|1,0,1]=4 439 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [2,0,0,0,0,0|0,0,1]=3 440 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [2,0,0,0,0,0|0,1,1]=4 441 B10R1.27 C#CC(=O)CC1OCCO1 1458a_100000211873_100000755774 [2,0,0,0,0,0|0,0,2]=4 442 B10R1.27 C=CC(=O)CC1OCCO1 1458a_100000185746_100000755774 [2,0,0,0,0,0|0,0,2]=4 443 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [2,0,0,0,0,0|2,0,0]=4 444 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [2,0,0,0,0,0|2,0,0]=4 445 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [2,0,0,0,0,0|1,0,0]=3 446 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [2,0,0,0,0,0|0,0,0]=2 447 B10R1.27 CCN(C)CC1OCCO1 2230a_100000225621_100000755774 [2,0,0,0,0,0|2,0,0]=4 448 B10R1.27 CCN(C)CC1OCCO1 2230a_200000032744_100000210202 [2,0,0,0,0,0|2,0,0]=4 449 B10R1.27 CCN(C)CC1OCCO1 269982a_100000225621_100000755774 [2,0,0,0,0,0|2,0,0]=4 450 B10R1.27 CCN(C)CC1OCCO1 269982a_200000032744_100000204670 [2,0,0,0,0,0|2,0,0]=4 451 B10R1.27 CCN(C)CC1OCCO1 34a_200000032744_100000210202 [2,0,0,0,0,0|2,0,0]=4 452 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [2,0,0,0,0,0|2,0,0]=4 453 B10R1.27 O=C(CO)CC1OCCO1 1458a_100000210174_100000755774 [2,0,0,0,0,0|1,0,0]=3 454 B10R1.216 CC1(OCCO1)CCN[13CH3] 2230a_100000073055_200025704644 [2,0,0,0,0,0|1,0,1]=4 455 B10R1.216 CC1(OCCO1)CCO[13CH3] 7a_100009861814_200025704644 [2,0,0,0,0,0|0,0,1]=3 456 B10R1.216 CC1(OCCO1)CCS[13CH3] 62a_100000758764_200025704644 [2,0,0,0,0,0|0,1,1]=4 457 B10R1.216 CC1(OCCO1)CCS[13CH3] 62a_200025704644_100000758764 [2,0,0,0,0,0|0,1,1]=4 458 B10R1.216 CC1(OCCO1)CSCF 62a_100009818610_100015361967 [2,0,0,0,0,0|1,1,0]=4 459 B10R1.216 CC1(OCCO1)CSCF 62a_100015361967_100009818610 [2,0,0,0,0,0|1,1,0]=4 460 B10R1.216 CCNCC1(OCCO1)C 2230a_100000691740_100000210202 [2,0,0,0,0,0|1,0,0]=3 461 B10R1.216 CCOC[C@@]1(CCCN1)C 34a_100016195882_100000210202 [2,0,0,0,0,0|2,0,0]=4 462 B10R1.216 CCSCC1(OCCO1)C 62a_100000210202_100009818610 [2,0,0,0,0,0|0,1,0]=3 463 B10R1.216 CCSCC1(OCCO1)C 62a_100009818610_100000210202 [2,0,0,0,0,0|0,1,0]=3 464 B10R1.216 CNCCC1(OCCO1)C 2230a_100000073055_200000210301 [2,0,0,0,0,0|1,0,1]=4 465 B10R1.216 CNCCC1(OCCO1)C 2230a_106832991635_100000758764 [2,0,0,0,0,0|1,0,1]=4 466 B10R1.216 CNCCC1(OCCO1)C 34a_100102657272_100000758764 [2,0,0,0,0,0|1,0,1]=4 467 B10R1.216 CNCCC1(OCCO1)C 7a_106832991635_100000758764 [2,0,0,0,0,0|1,0,1]=4 468 B10R1.216 COCCC1(OCCO1)C 34a_100138415774_100000758764 [2,0,0,0,0,0|0,0,1]=3 469 B10R1.216 COCCC1(OCCO1)C 7a_100009861814_200000210301 [2,0,0,0,0,0|0,0,1]=3 470 B10R1.216 CSCCC1(OCCO1)C 62a_100000758764_200000210301 [2,0,0,0,0,0|0,1,1]=4 471 B10R1.216 CSCCC1(OCCO1)C 62a_200000210301_100000758764 [2,0,0,0,0,0|0,1,1]=4 472 B10R1.370 CC(=O)CC1(OCCO1)C 1458a_100000137474_200000210301 [2,0,0,0,0,0|0,0,0]=2 473 B10R1.370 CC1(OCCO1)CC(=O)[13CH3] 1458a_100000137474_200025704644 [2,0,0,0,0,0|0,0,0]=2 474 B10R1.370 CN(C)CC1(OCCO1)C 269982a_100102631434_100009818610 [2,0,0,0,0,0|2,0,0]=4 475 B12R0.2 CC(C)OC(=O)CN(C)CCCO 2230a_100000213112_100011215430 [0,1,1,0,0,0|2,0,0]=4 476 B12R0.2 CC(C)OC(=O)CN(C)CCCO 269982a_100000213112_100011215430 [0,1,1,0,0,0|2,0,0]=4 477 B12R0.2 CC(C)OC(=O)OC(C)SCCO 62a_100000067433_100000211926 [0,1,1,0,0,0|1,1,0]=4 478 B12R0.2 CC(C)OC(=O)OC(C)SCCO 62a_100000211926_100000067433 [0,1,1,0,0,0|1,1,0]=4 479 B12R0.68 C#C[C@@H](C)OC(C)CC(=O)OCC 7a_100009815206_100009817359 [0,1,1,0,0,0|1,0,1]=4 480 B12R0.68 CCOC(=O)CC(C)NC(=O)CO 188690a_100000686176_100000210174 [0,1,1,0,0,0|1,0,1]=4 481 B12R0.68 CCOC(=O)CC(C)NC(C)CC 2230a_100000209981_100009817359 [0,1,1,0,0,0|2,0,0]=4 482 B12R0.68 CCOC(=O)CC(C)N[C@H](C)CO 2230a_100000737577_100009817359 [0,1,1,0,0,0|1,0,0]=3 483 B12R0.68 CCOC(=O)CC(C)OC(C)CC 7a_100000210228_100009817359 [0,1,1,0,0,0|1,0,0]=3 484 B12R0.68 CCOC(=O)CC(C)OC(C)CF 7a_100016041109_100009817359 [0,1,1,0,0,0|1,0,0]=3 485 B12R0.68 CCOC(=O)CC(C)SC(C)CC 62a_100000758301_100009817359 [0,1,1,0,0,0|1,1,0]=4 486 B12R0.68 CCOC(=O)CC(C)SC(C)CC 62a_100009817359_100000758301 [0,1,1,0,0,0|1,1,0]=4 487 B12R0.68 CCOC(=O)CC(C)SC(C)CO 62a_100012180447_100009817359 [0,1,1,0,0,0|0,1,0]=3 488 B12R0.68 CCOC(=O)CC(C)S[C@H](C)CO 62a_100009817359_100016084084 [0,1,1,0,0,0|0,1,0]=3 489 B12R0.68 CCOC(=O)CC(C)S[C@H](C)CO 62a_100016084084_100009817359 [0,1,1,0,0,0|0,1,0]=3 490 B12R0.68 CCOC(=O)CN(C)CC(O)CO 2230a_100000220588_100011219619 [0,1,1,0,0,0|2,0,0]=4 491 B12R0.68 CCOC(=O)CN(C)CC(O)CO 2230a_100011216503_100000188475 [0,1,1,0,0,0|2,0,0]=4 492 B12R0.68 CCOC(=O)CN(C)CC(O)CO 269982a_100011216503_100000188475 [0,1,1,0,0,0|2,0,0]=4 493 B12R0.68 CCOC(=O)CN(C)C[C@@H](C)CO 2230a_100000220588_100000059175 [0,1,1,0,0,0|2,0,0]=4 494 B12R0.68 CCOC(=O)CN(C)C[C@@H](O)CO 2230a_100000220588_100009815848 [0,1,1,0,0,0|2,0,0]=4 495 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)C#N 7a_100009816390_100000703298 [0,1,1,0,0,0|1,0,1]=4 496 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CC 7a_100009816390_100000758301 [0,1,1,0,0,0|1,0,0]=3 497 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CO 7a_100009816390_100012180447 [0,1,1,0,0,0|0,0,0]=2 498 B12R0.68 CCOC(=O)OC(C)SC(C)CO 62a_100012180447_100000036008 [0,1,1,0,0,0|1,1,0]=4 499 B12R0.68 CCOC(=O)OC(C)S[C@H](C)CO 62a_100000036008_100016084084 [0,1,1,0,0,0|1,1,0]=4 500 B12R0.68 CCOC(=O)OC(C)S[C@H](C)CO 62a_100016084084_100000036008 [0,1,1,0,0,0|1,1,0]=4 501 B12R0.69 CCCC(=O)C(C)CC(=O)OCC 1458a_100000211992_100009817359 [0,1,1,0,0,0|2,0,0]=4 502 B12R0.69 CCCN(C)C(C)CC(=O)OCC 2230a_100000747261_100009817359 [0,1,1,0,0,0|2,0,0]=4 503 B12R0.69 CCCN(C)C(C)CC(=O)OCC 269982a_100000747261_100009817359 [0,1,1,0,0,0|2,0,0]=4 504 B12R0.69 CCOC(=O)CC(C)C(=O)CCO 1458a_100011216618_100009817359 [0,1,1,0,0,0|1,0,0]=3 505 B12R0.69 CCOC(=O)CC(C)N(C)CCO 2230a_100000210263_100009817359 [0,1,1,0,0,0|1,0,0]=3 506 B12R0.69 CCOC(=O)CC(C)N(C)CCO 269982a_100000210263_100009817359 [0,1,1,0,0,0|1,0,0]=3 507 B12R0.69 CCOC(=O)CN(C)C(=O)CCO 240690a_100000220588_100011216618 [0,1,1,0,0,0|2,0,0]=4 508 B12R0.69 CCOC(=O)CN(C)C(C)CCO 2230a_100000220588_100009893172 [0,1,1,0,0,0|2,0,0]=4 509 B12R0.69 CCOC(=O)CN(C)C(C)CCO 2230a_100000731037_100000188475 [0,1,1,0,0,0|2,0,0]=4 510 B12R0.69 CCOC(=O)CN(C)C(C)CCO 269982a_100000731037_100000188475 [0,1,1,0,0,0|2,0,0]=4 511 B12R0.69 CCOC(=O)OC(C)N(C)CCO 269982a_100000210263_100000036008 [0,1,1,0,0,0|2,0,0]=4 512 B12R0.103 CCCOC(=O)CN(C)CCCO 2230a_100000213112_200011215008 [0,1,1,0,0,0|2,0,0]=4 513 B12R0.103 CCCOC(=O)CN(C)CCCO 269982a_100000213112_200011215008 [0,1,1,0,0,0|2,0,0]=4 514 B12R0.239 C#CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000688953 [0,1,1,0,0,0|1,0,0]=3 515 B12R0.239 C#CCCSC(C)CC(=O)OCC 62a_100000688953_100009817359 [0,1,1,0,0,0|1,1,0]=4 516 B12R0.239 C#CCCSC(C)CC(=O)OCC 62a_100009817359_100000688953 [0,1,1,0,0,0|1,1,0]=4 517 B12R0.239 C/C=C/CO[C@H](C)CC(=O)OCC 7a_100009816390_100102629194 [0,1,1,0,0,0|1,0,1]=4 518 B12R0.239 C=CCCNC(C)CC(=O)OCC 2230a_100015191253_100009817359 [0,1,1,0,0,0|2,0,0]=4 519 B12R0.239 C=CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000754431 [0,1,1,0,0,0|1,0,0]=3 520 B12R0.239 C=CCCSC(C)CC(=O)OCC 62a_100000754431_100009817359 [0,1,1,0,0,0|1,1,0]=4 521 B12R0.239 C=CCCSC(C)CC(=O)OCC 62a_100009817359_100000754431 [0,1,1,0,0,0|1,1,0]=4 522 B12R0.239 CC#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000748600 [0,1,1,0,0,0|1,0,1]=4 523 B12R0.239 CC=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000070051 [0,1,1,0,0,0|1,0,1]=4 524 B12R0.239 CCCCNC(C)CC(=O)OCC 2230a_100000102301_100009817359 [0,1,1,0,0,0|2,0,0]=4 525 B12R0.239 CCCCNC(C)CC(=O)OCC 7a_106832991798_100009817359 [0,1,1,0,0,0|2,0,0]=4 526 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [0,1,1,0,0,0|1,0,0]=3 527 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [0,1,1,0,0,0|1,0,0]=3 528 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100000210211_100009817359 [0,1,1,0,0,0|1,1,0]=4 529 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100009817359_100000210210 [0,1,1,0,0,0|1,1,0]=4 530 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [0,1,1,0,0,0|2,0,0]=4 531 B12R0.239 CCOC(=O)CC(=O)COCCO 1458a_100000708028_100000188475 [0,1,1,0,0,0|1,0,1]=4 532 B12R0.239 CCOC(=O)CC(C)NCCCF 2230a_100015189416_100009817359 [0,1,1,0,0,0|2,0,0]=4 533 B12R0.239 CCOC(=O)CC(C)NCCOC 2230a_100000209980_100009817359 [0,1,1,0,0,0|1,0,0]=3 534 B12R0.239 CCOC(=O)CC(C)NCCSC 2230a_100020590264_100009817359 [0,1,1,0,0,0|1,1,0]=4 535 B12R0.239 CCOC(=O)CC(C)OCCSC 7a_100000230434_100009817359 [0,1,1,0,0,0|0,1,0]=3 536 B12R0.239 CCOC(=O)CC(C)SCCC#N 62a_100009817359_100011215226 [0,1,1,0,0,0|1,1,0]=4 537 B12R0.239 CCOC(=O)CC(C)SCCC#N 62a_100011215226_100009817359 [0,1,1,0,0,0|1,1,0]=4 538 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100009817359_100011934791 [0,1,1,0,0,0|1,1,0]=4 539 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100011934791_100009817359 [0,1,1,0,0,0|1,1,0]=4 540 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100009817359_100011215043 [0,1,1,0,0,0|0,1,0]=3 541 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100011215043_100009817359 [0,1,1,0,0,0|0,1,0]=3 542 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100000233755_100009817359 [0,1,1,0,0,0|0,1,0]=3 543 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100009817359_100000233755 [0,1,1,0,0,0|0,1,0]=3 544 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100000212216_100009817359 [0,1,1,0,0,0|0,2,0]=4 545 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100009817359_100000751147 [0,1,1,0,0,0|0,2,0]=4 546 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000220588_100000210776 [0,1,1,0,0,0|2,0,0]=4 547 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000717598_100000188475 [0,1,1,0,0,0|2,0,0]=4 548 B12R0.239 CCOC(=O)CN(C)CCCCO 269982a_100000717598_100000188475 [0,1,1,0,0,0|2,0,0]=4 549 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000220588_100000740836 [0,1,1,0,0,0|2,0,0]=4 550 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000224831_100000188475 [0,1,1,0,0,0|2,0,0]=4 551 B12R0.239 CCOC(=O)CN(C)CCCOC 269982a_100000224831_100000188475 [0,1,1,0,0,0|2,0,0]=4 552 B12R0.239 CCOC(=O)C[C@@H](C)OCCC#N 7a_100009816390_100000184422 [0,1,1,0,0,0|1,0,0]=3 553 B12R0.239 CCOC(=O)C[C@@H](C)OCCCF 7a_100009816390_100011934791 [0,1,1,0,0,0|1,0,0]=3 554 B12R0.239 CCOC(=O)C[C@@H](C)OCCCO 7a_100009816390_100011215043 [0,1,1,0,0,0|0,0,0]=2 555 B12R0.239 CCOC(=O)C[C@@H](C)OCCOC 7a_100009816390_100000233755 [0,1,1,0,0,0|0,0,0]=2 556 B12R0.239 CCOC(=O)C[C@@H](C)OCCSC 7a_100009816390_100000212216 [0,1,1,0,0,0|0,1,0]=3 557 B12R0.239 CCOC(=O)C[C@H](O)CNCCO 34a_100016990907_100000688340 [0,1,1,0,0,0|2,0,0]=4 558 B12R0.239 CCOC(=O)C[C@H](O)COCCBr 34a_100000211926_100000688340 [0,1,1,0,0,0|2,0,0]=4 559 B12R0.239 CCOC(=O)C[C@H](O)COCCN 34a_100000210304_100000688340 [0,1,1,0,0,0|2,0,0]=4 560 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000211926_100000688340 [0,1,1,0,0,0|1,1,0]=4 561 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000688340_100000211926 [0,1,1,0,0,0|1,1,0]=4 562 B12R0.239 CCOC(=O)OC(C)SCCCO 62a_100000036008_100011215043 [0,1,1,0,0,0|1,1,0]=4 563 B12R0.239 CCOC(=O)OC(C)SCCCO 62a_100011215043_100000036008 [0,1,1,0,0,0|1,1,0]=4 564 B12R0.239 CCOC(=O)OC(C)SCCOC 62a_100000036008_100000233755 [0,1,1,0,0,0|1,1,0]=4 565 B12R0.239 CCOC(=O)OC(C)SCCOC 62a_100000233755_100000036008 [0,1,1,0,0,0|1,1,0]=4 566 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100000739092_100009817359 [0,1,1,0,0,0|1,1,0]=4 567 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100009817359_100000739092 [0,1,1,0,0,0|1,1,0]=4 568 B12R0.283 C=C(C)CO[C@H](C)CC(=O)OCC 7a_100009816390_100000748629 [0,1,1,0,0,0|1,0,1]=4 569 B12R0.283 C=C(F)CO[C@H](C)CC(=O)OCC 7a_100009816390_100000042424 [0,1,1,0,0,0|1,0,1]=4 570 B12R0.283 CCOC(=O)CC(C)NCC(=O)O 269956a_100016091260_100009817359 [0,1,1,0,0,0|1,0,1]=4 571 B12R0.283 CCOC(=O)CC(C)NCC(C)C 2230a_100000210953_100009817359 [0,1,1,0,0,0|2,0,0]=4 572 B12R0.283 CCOC(=O)CC(C)NCC(C)O 2230a_100000210904_100009817359 [0,1,1,0,0,0|1,0,0]=3 573 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100000210624_100009817359 [0,1,1,0,0,0|1,1,0]=4 574 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100009817359_100000210760 [0,1,1,0,0,0|1,1,0]=4 575 B12R0.283 CCOC(=O)CC(C)SCC(C)O 62a_100009817359_100011218427 [0,1,1,0,0,0|0,1,0]=3 576 B12R0.283 CCOC(=O)CC(C)SCC(C)O 62a_100011218427_100009817359 [0,1,1,0,0,0|0,1,0]=3 577 B12R0.283 CCOC(=O)CC(C)SCC(F)F 62a_100009817359_100011934356 [0,1,1,0,0,0|1,1,0]=4 578 B12R0.283 CCOC(=O)CC(C)SCC(F)F 62a_100011934356_100009817359 [0,1,1,0,0,0|1,1,0]=4 579 B12R0.283 CCOC(=O)CC(C)SC[C@@H](C)O 62a_100009817359_100009817552 [0,1,1,0,0,0|0,1,0]=3 580 B12R0.283 CCOC(=O)CC(C)SC[C@@H](C)O 62a_100009817552_100009817359 [0,1,1,0,0,0|0,1,0]=3 581 B12R0.283 CCOC(=O)CN(C)CCC(C)O 2230a_100000220588_100012276601 [0,1,1,0,0,0|2,0,0]=4 582 B12R0.283 CCOC(=O)C[C@@H](C)OCC(=O)N 7a_100009816390_100000187820 [0,1,1,0,0,0|0,0,2]=4 583 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)C 7a_100009816390_100000210760 [0,1,1,0,0,0|1,0,0]=3 584 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)O 7a_100009816390_100011218427 [0,1,1,0,0,0|0,0,0]=2 585 B12R0.283 CCOC(=O)C[C@@H](C)OCC(F)F 7a_100009816390_100011934356 [0,1,1,0,0,0|1,0,0]=3 586 B12R0.283 CCOC(=O)C[C@@H](C)OC[C@@H](C)O 7a_100009816390_100009817552 [0,1,1,0,0,0|0,0,0]=2 587 B12R0.283 CCOC(=O)OC(C)SCC(C)O 62a_100000036008_100011218427 [0,1,1,0,0,0|1,1,0]=4 588 B12R0.283 CCOC(=O)OC(C)SCC(C)O 62a_100011218427_100000036008 [0,1,1,0,0,0|1,1,0]=4 589 B12R0.283 CCOC(=O)OC(C)SC[C@@H](C)O 62a_100000036008_100009817552 [0,1,1,0,0,0|1,1,0]=4 590 B12R0.283 CCOC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100000036008 [0,1,1,0,0,0|1,1,0]=4 591 B12R0.353 CCOC(=O)C(=O)C(C)NCCO 2230a_100016997473_100010256902 [0,1,1,0,0,0|1,0,1]=4 592 B12R0.353 CCOC(=O)C(=O)C(C)SCCO 62a_100000211926_100010256902 [0,1,1,0,0,0|0,1,1]=4 593 B12R0.353 CCOC(=O)C(=O)C(C)SCCO 62a_100010256902_100000211926 [0,1,1,0,0,0|0,1,1]=4 594 B12R0.353 CCOC(=O)C(C)N(C)CCCO 2230a_100000213112_100011215307 [0,1,1,0,0,0|2,0,0]=4 595 B12R0.353 CCOC(=O)C(C)N(C)CCCO 269982a_100000213112_100011216346 [0,1,1,0,0,0|2,0,0]=4 596 B12R0.353 CCOC(=O)C(F)N(C)CCCO 2230a_100000213112_100000760018 [0,1,1,0,0,0|2,0,0]=4 597 B12R0.353 CCOC(=O)C(F)N(C)CCCO 269982a_100000213112_100000760018 [0,1,1,0,0,0|2,0,0]=4 598 B12R0.607 C#CCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000038162 [0,1,1,0,0,0|1,0,1]=4 599 B12R0.607 C=CCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100015514636 [0,1,1,0,0,0|1,0,1]=4 600 B12R0.607 CCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210303 [0,1,1,0,0,0|1,0,0]=3 601 B12R0.607 CCOC(=O)CN(CC)CCCO 2230a_100000220607_100000230001 [0,1,1,0,0,0|2,0,0]=4 602 B12R0.607 CCOC(=O)CN(CC)CCCO 269982a_100000220607_100011215043 [0,1,1,0,0,0|2,0,0]=4 603 B12R0.607 CCOC(=O)C[C@@H](CCl)OCC#N 7a_100000688340_100011215382 [0,1,1,0,0,0|1,0,1]=4 604 B12R0.607 CCOC(=O)C[C@@H](CCl)OCC=O 7a_100000688340_200015260668 [0,1,1,0,0,0|0,0,2]=4 605 B12R0.607 CCOC(=O)C[C@@H](CCl)OCCF 7a_100000688340_100011217306 [0,1,1,0,0,0|1,0,0]=3 606 B12R0.607 CCOC(=O)C[C@@H](CCl)OCCO 7a_100000688340_100000211926 [0,1,1,0,0,0|0,0,0]=2 607 B12R0.661 C#CCOC(C)(C)CC(=O)OCC 7a_100000765344_100000038162 [0,1,1,0,0,0|1,0,1]=4 608 B12R0.661 C=CCOC(C)(C)CC(=O)OCC 7a_100000765344_100015514636 [0,1,1,0,0,0|1,0,1]=4 609 B12R0.661 CCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210303 [0,1,1,0,0,0|1,0,0]=3 610 B12R0.661 CCOC(=O)CC(C)(C)OCC#N 7a_100000765344_100011215382 [0,1,1,0,0,0|1,0,1]=4 611 B12R0.661 CCOC(=O)CC(C)(C)OCC=O 7a_100000765344_200015260668 [0,1,1,0,0,0|0,0,2]=4 612 B12R0.661 CCOC(=O)CC(C)(C)OCCF 7a_100000765344_100011217306 [0,1,1,0,0,0|1,0,0]=3 613 B12R0.661 CCOC(=O)CC(C)(C)OCCO 7a_100000765344_100000211926 [0,1,1,0,0,0|0,0,0]=2 614 B12R0.428 CCCC(C)(O)CC(=O)CC(C)C 1458a_100011667670_100000210624 [0,1,1,0,0,0|2,0,0]=4 615 B12R0.428 CCCC(C)(O)CC(=O)CC(C)O 1458a_100011667670_100011218427 [0,1,1,0,0,0|2,0,0]=4 616 B12R0.428 CCCC(C)(O)CC(=O)NC(C)C 240690a_100138425928_100011667670 [0,1,1,0,0,0|2,0,0]=4 617 B12R0.428 CCCC(C)(O)CC(=O)NC(C)C 527a_100138425928_100011667670 [0,1,1,0,0,0|2,0,0]=4 618 B12R0.430 CCCC(C)(O)CC(=O)C(C)CC 1458a_100011667670_100000758301 [0,1,1,0,0,0|2,0,0]=4 619 B12R0.430 CCCC(C)(O)CC(=O)N(C)CC 240690a_100000225621_100011667670 [0,1,1,0,0,0|2,0,0]=4 620 B12R0.430 CCCC(C)(O)CC(=O)N(C)CC 527a_100000225621_100011667670 [0,1,1,0,0,0|2,0,0]=4 621 B12R0.744 CCOC(=O)CC(C)(C)OC(C)C 7a_100000765344_100000210206 [0,1,1,0,0,0|1,0,0]=3 622 B12R1.53 C#CCCC(=O)CC1OCCO1 1458a_100000692101_100000755774 [1,1,0,0,0,0|1,0,1]=4 623 B12R1.53 C=CCCC(=O)CC1OCCO1 1458a_100000749702_100000755774 [1,1,0,0,0,0|1,0,1]=4 624 B12R1.53 CC=CCC(=O)CC1OCCO1 1458a_100121576822_100000755774 [1,1,0,0,0,0|1,0,1]=4 625 B12R1.53 CCC#CC(=O)CC1CCCO1 1458a_100011827653_100000203698 [1,1,0,0,0,0|2,0,0]=4 626 B12R1.53 CCC#CC(=O)CC1OCCO1 1458a_100011827653_100000755774 [1,1,0,0,0,0|1,0,0]=3 627 B12R1.53 CCC=CC(=O)CC1CCCO1 1458a_100000212282_100000203698 [1,1,0,0,0,0|2,0,0]=4 628 B12R1.53 CCC=CC(=O)CC1OCCO1 1458a_100000212282_100000755774 [1,1,0,0,0,0|1,0,0]=3 629 B12R1.53 CCCCC(=O)CC1CCCO1 1458a_100000210183_100000203698 [1,1,0,0,0,0|2,0,0]=4 630 B12R1.53 CCCCC(=O)CC1OCCO1 1458a_100000210183_100000755774 [1,1,0,0,0,0|1,0,0]=3 631 B12R1.53 CCOCC(=O)CC1CCCC1 1458a_100000211967_100000740388 [1,1,0,0,0,0|2,0,0]=4 632 B12R1.53 CCOCC(=O)CC1CCCO1 1458a_100000211967_100000203698 [1,1,0,0,0,0|1,0,0]=3 633 B12R1.53 CCOCC(=O)CC1OCCO1 1458a_100000211967_100000755774 [1,1,0,0,0,0|0,0,0]=2 634 B12R1.53 CCOCN(C)CC1OCCO1 269982a_200000032744_100000739092 [1,1,0,0,0,0|2,0,0]=4 635 B12R1.53 CCSCC(=O)CC1CCCO1 1458a_100000230394_100000203698 [1,1,0,0,0,0|1,1,0]=4 636 B12R1.53 CCSCC(=O)CC1OCCO1 1458a_100000230394_100000755774 [1,1,0,0,0,0|0,1,0]=3 637 B12R1.53 COC=CC(=O)CC1OCCO1 1458a_100016268678_100000755774 [1,1,0,0,0,0|1,0,1]=4 638 B12R1.53 COCCC(=O)CC1CCCO1 1458a_100000749529_100000203698 [1,1,0,0,0,0|2,0,0]=4 639 B12R1.53 COCCC(=O)CC1OCCO1 1458a_100000749529_100000755774 [1,1,0,0,0,0|1,0,0]=3 640 B12R1.53 CSCCC(=O)CC1CCCO1 1458a_100000174002_100000203698 [1,1,0,0,0,0|2,0,0]=4 641 B12R1.53 CSCCC(=O)CC1OCCO1 1458a_100000174002_100000755774 [1,1,0,0,0,0|1,0,0]=3 642 B12R1.53 N#CCCC(=O)CC1OCCO1 1458a_100011934036_100000755774 [1,1,0,0,0,0|1,0,1]=4 643 B12R1.53 O=C(C#CCO)CC1OCCO1 1458a_100000049017_100000755774 [1,1,0,0,0,0|1,0,1]=4 644 B12R1.108 C/C=C(\C)/C(=O)CC1OCCO1 1458a_100020587367_100000755774 [1,1,0,0,0,0|1,0,1]=4 645 B12R1.108 CCC(C)C(=O)CC1CCCO1 1458a_100011192722_100000203698 [1,1,0,0,0,0|2,0,0]=4 646 B12R1.108 CCC(C)C(=O)CC1OCCO1 1458a_100011192722_100000755774 [1,1,0,0,0,0|1,0,0]=3 647 B12R1.108 CCC(O)C(=O)CC1CCCO1 1458a_100011196387_100000203698 [1,1,0,0,0,0|2,0,0]=4 648 B12R1.108 CCC(O)C(=O)CC1OCCO1 1458a_100011196387_100000755774 [1,1,0,0,0,0|1,0,0]=3 649 B12R1.108 CNC(=O)C(=O)CC1OCCO1 1458a_100011218921_100000755774 [1,1,0,0,0,0|2,0,0]=4 650 B12R1.108 COC(C)C(=O)CC1OCCO1 1458a_100000743197_100000755774 [1,1,0,0,0,0|2,0,0]=4 651 B12R1.108 CSC(C)C(=O)CC1OCCO1 1458a_100000149566_100000755774 [1,1,0,0,0,0|2,0,0]=4 652 B12R1.108 O=C(CC1OCCO1)C(O)CO 1458a_100011215603_100000755774 [1,1,0,0,0,0|2,0,0]=4 653 B12R1.260 CC(=CC(=O)CC1OCCO1)C 1458a_100000211388_100000755774 [1,1,0,0,0,0|1,0,1]=4 654 B12R1.260 CC(=CC(=O)CC1OCCO1)Cl 1458a_200042562850_100000755774 [1,1,0,0,0,0|1,0,1]=4 655 B12R1.260 CC(=CC(=O)CC1OCCO1)I 1458a_100025716642_100000755774 [1,1,0,0,0,0|1,0,1]=4 656 B12R1.260 CC(C)CC(=O)CC1CCCO1 1458a_100000210554_100000203698 [1,1,0,0,0,0|2,0,0]=4 657 B12R1.260 CC(C)CC(=O)CC1OCCO1 1458a_100000210554_100000755774 [1,1,0,0,0,0|1,0,0]=3 658 B12R1.260 CN(C)CC(=O)CC1OCCO1 1458a_100000750896_100000755774 [1,1,0,0,0,0|2,0,0]=4 659 B12R1.260 C[C@@H](O)CC(=O)CC1CCCO1 1458a_100011933948_100000203698 [1,1,0,0,0,0|2,0,0]=4 660 B12R1.260 C[C@@H](O)CC(=O)CC1OCCO1 1458a_100011933948_100000755774 [1,1,0,0,0,0|1,0,0]=3 661 B12R1.260 C[S+](C)CC(=O)CC1OCCO1 1458a_200159257847_100000755774 [1,1,0,0,0,0|2,0,0]=4 662 B12R1.1677 CCC(=O)CCC1(OCCO1)C 1458a_100000210414_100000758764 [1,1,0,0,0,0|1,0,1]=4 663 B12R1.1677 CCC(=O)NCC1(OCCO1)C 11a_100000691740_100000210414 [1,1,0,0,0,0|2,0,0]=4 664 B12R1.1677 CCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000210414 [1,1,0,0,0,0|2,0,0]=4 665 B12R1.1677 CCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000210414 [1,1,0,0,0,0|2,0,0]=4 666 B12R1.1677 CCC(=O)NCC1(OCCO1)C 527a_100000691740_100000210414 [1,1,0,0,0,0|2,0,0]=4 667 B12R1.1677 CCC(C)NCC1(OCCO1)C 2230a_100000691740_100000758301 [1,1,0,0,0,0|2,0,0]=4 668 B12R1.1677 CCC(C)SCC1(OCCO1)C 62a_100000758301_100009818610 [1,1,0,0,0,0|2,0,0]=4 669 B12R1.1677 CCC(C)SCC1(OCCO1)C 62a_100009818610_100000758301 [1,1,0,0,0,0|2,0,0]=4 670 B12R1.1677 CCN(C)CCC1(OCCO1)C 2230a_100000225621_100000758764 [1,1,0,0,0,0|1,0,1]=4 671 B12R1.1677 CCN(C)CCC1(OCCO1)C 269982a_100000225621_100000758764 [1,1,0,0,0,0|1,0,1]=4 672 B12R1.1758 C#CCOCCC1(OCCO1)C 34a_100000210247_100000758764 [1,1,0,0,0,0|0,0,2]=4 673 B12R1.1758 C#CCOCCC1(OCCO1)C 7a_100009861814_100000038162 [1,1,0,0,0,0|0,0,2]=4 674 B12R1.1758 C=CCOCCC1(OCCO1)C 34a_200000210373_100000758764 [1,1,0,0,0,0|0,0,2]=4 675 B12R1.1758 C=CCOCCC1(OCCO1)C 7a_100009861814_100015514636 [1,1,0,0,0,0|0,0,2]=4 676 B12R1.1758 CC1(OCCO1)CCNCCF 2230a_100000073055_100011217306 [1,1,0,0,0,0|1,0,1]=4 677 B12R1.1758 CC1(OCCO1)CCNCCF 34a_100000724931_100000758764 [1,1,0,0,0,0|1,0,1]=4 678 B12R1.1758 CC1(OCCO1)CCNCCO 2230a_100000073055_100000211926 [1,1,0,0,0,0|1,0,1]=4 679 B12R1.1758 CC1(OCCO1)CCNCCO 2230a_100016997473_100000758764 [1,1,0,0,0,0|1,0,1]=4 680 B12R1.1758 CC1(OCCO1)CCNCCO 34a_100016990907_100000758764 [1,1,0,0,0,0|1,0,1]=4 681 B12R1.1758 CC1(OCCO1)CCOCC#N 7a_100009861814_100011215382 [1,1,0,0,0,0|0,0,2]=4 682 B12R1.1758 CC1(OCCO1)CCOCC=O 7a_100009861814_200015260668 [1,1,0,0,0,0|0,0,2]=4 683 B12R1.1758 CC1(OCCO1)CCOCCBr 34a_100000211926_100000758764 [1,1,0,0,0,0|0,0,1]=3 684 B12R1.1758 CC1(OCCO1)CCOCCF 7a_100009861814_100011217306 [1,1,0,0,0,0|0,0,1]=3 685 B12R1.1758 CC1(OCCO1)CCOCCN 34a_100000210304_100000758764 [1,1,0,0,0,0|0,0,1]=3 686 B12R1.1758 CC1(OCCO1)CCOCCO 7a_100009861814_100000211926 [1,1,0,0,0,0|0,0,1]=3 687 B12R1.1758 CC1(OCCO1)CCSCCF 62a_100000758764_100011217306 [1,1,0,0,0,0|0,1,1]=4 688 B12R1.1758 CC1(OCCO1)CCSCCF 62a_100011217306_100000758764 [1,1,0,0,0,0|0,1,1]=4 689 B12R1.1758 CC1(OCCO1)CCSCCO 62a_100000211926_100000758764 [1,1,0,0,0,0|0,1,1]=4 690 B12R1.1758 CC1(OCCO1)CCSCCO 62a_100000758764_100000211926 [1,1,0,0,0,0|0,1,1]=4 691 B12R1.1758 CC1(OCCO1)CNCCCF 2230a_100000691740_100011934791 [1,1,0,0,0,0|2,0,0]=4 692 B12R1.1758 CC1(OCCO1)CNCCCO 2230a_100000691740_100000230001 [1,1,0,0,0,0|2,0,0]=4 693 B12R1.1758 CC1(OCCO1)CSCCCF 62a_100009818610_100011934791 [1,1,0,0,0,0|2,0,0]=4 694 B12R1.1758 CC1(OCCO1)CSCCCF 62a_100011934791_100009818610 [1,1,0,0,0,0|2,0,0]=4 695 B12R1.1758 CC1(OCCO1)CSCCCO 62a_100009818610_100011215043 [1,1,0,0,0,0|2,0,0]=4 696 B12R1.1758 CC1(OCCO1)CSCCCO 62a_100011215043_100009818610 [1,1,0,0,0,0|2,0,0]=4 697 B12R1.1758 CCCCNCC1(OCCO1)C 2230a_100000691740_100000210211 [1,1,0,0,0,0|1,0,1]=4 698 B12R1.1758 CCCCSCC1(OCCO1)C 62a_100000210211_100009818610 [1,1,0,0,0,0|1,0,1]=4 699 B12R1.1758 CCCCSCC1(OCCO1)C 62a_100009818610_100000210210 [1,1,0,0,0,0|1,0,1]=4 700 B12R1.1758 CCCNCCC1(OCCO1)C 2230a_100000073055_100000210303 [1,1,0,0,0,0|1,0,1]=4 701 B12R1.1758 CCCOCCC1(OCCO1)C 34a_100000210258_100000758764 [1,1,0,0,0,0|0,0,1]=3 702 B12R1.1758 CCCOCCC1(OCCO1)C 7a_100009861814_100000210303 [1,1,0,0,0,0|0,0,1]=3 703 B12R1.1758 CCCSCCC1(OCCO1)C 62a_100000210303_100000758764 [1,1,0,0,0,0|0,1,1]=4 704 B12R1.1758 CCCSCCC1(OCCO1)C 62a_100000758764_100000210303 [1,1,0,0,0,0|0,1,1]=4 705 B12R1.1758 CCNCCCC1(OCCO1)C 2230a_100015525214_100000037737 [1,1,0,0,0,0|1,0,1]=4 706 B12R1.1758 CCOCCCC1(OCCO1)C 34a_100121572206_100000037737 [1,1,0,0,0,0|0,0,1]=3 707 B12R1.1758 CCOCSCC1(OCCO1)C 62a_100000739092_100009818610 [1,1,0,0,0,0|0,0,1]=3 708 B12R1.1758 CCOCSCC1(OCCO1)C 62a_100009818610_100000739092 [1,1,0,0,0,0|0,0,1]=3 709 B12R1.1758 CCSCCCC1(OCCO1)C 62a_100000037737_100000210202 [1,1,0,0,0,0|0,1,1]=4 710 B12R1.1758 CCSCCCC1(OCCO1)C 62a_100000210202_100000037737 [1,1,0,0,0,0|0,1,1]=4 711 B12R1.1758 COCCNCC1(OCCO1)C 2230a_100000691740_100011201679 [1,1,0,0,0,0|2,0,0]=4 712 B12R1.1758 COCCSCC1(OCCO1)C 62a_100000233755_100009818610 [1,1,0,0,0,0|2,0,0]=4 713 B12R1.1758 COCCSCC1(OCCO1)C 62a_100009818610_100000233755 [1,1,0,0,0,0|2,0,0]=4 714 B12R1.1758 COCNCCC1(OCCO1)C 2230a_100000073055_100000766300 [1,1,0,0,0,0|1,0,1]=4 715 B12R1.1758 COCSCCC1(OCCO1)C 62a_100000758764_100000766300 [1,1,0,0,0,0|0,1,1]=4 716 B12R1.1758 COCSCCC1(OCCO1)C 62a_100000766300_100000758764 [1,1,0,0,0,0|0,1,1]=4 717 B12R1.1758 CSCCNCC1(OCCO1)C 2230a_100000691740_100000751147 [1,1,0,0,0,0|2,0,0]=4 718 B12R1.1758 CSCCSCC1(OCCO1)C 62a_100000212216_100009818610 [1,1,0,0,0,0|2,0,0]=4 719 B12R1.1758 CSCCSCC1(OCCO1)C 62a_100009818610_100000751147 [1,1,0,0,0,0|2,0,0]=4 720 B12R1.1758 CSCNCCC1(OCCO1)C 2230a_100000073055_100011218213 [1,1,0,0,0,0|1,0,1]=4 721 B12R1.1758 CSCSCCC1(OCCO1)C 62a_100000758764_100011218213 [1,1,0,0,0,0|0,1,1]=4 722 B12R1.1758 CSCSCCC1(OCCO1)C 62a_100011218213_100000758764 [1,1,0,0,0,0|0,1,1]=4 723 B12R1.1809 CC(C)CNCC1(OCCO1)C 2230a_100000691740_100000210760 [1,1,0,0,0,0|2,0,0]=4 724 B12R1.1809 CC(C)CNCC1(OCCO1)C 270004a_100000691740_100000210432 [1,1,0,0,0,0|2,0,0]=4 725 B12R1.1809 CC(C)CSCC1(OCCO1)C 62a_100000210624_100009818610 [1,1,0,0,0,0|2,0,0]=4 726 B12R1.1809 CC(C)CSCC1(OCCO1)C 62a_100009818610_100000210760 [1,1,0,0,0,0|2,0,0]=4 727 B12R1.1809 CC(C)NCCC1(OCCO1)C 2230a_100000073055_100000210206 [1,1,0,0,0,0|1,0,1]=4 728 B12R1.1809 CC(C)NCCC1(OCCO1)C 2230a_100138425928_100000758764 [1,1,0,0,0,0|1,0,1]=4 729 B12R1.1809 CC(C)NCCC1(OCCO1)C 34a_100138425928_100000758764 [1,1,0,0,0,0|1,0,1]=4 730 B12R1.1809 CC(C)OCCC1(OCCO1)C 34a_100000212225_100000758764 [1,1,0,0,0,0|0,0,1]=3 731 B12R1.1809 CC(C)OCCC1(OCCO1)C 7a_100009861814_100000210206 [1,1,0,0,0,0|0,0,1]=3 732 B12R1.1809 CC(C)SCCC1(OCCO1)C 62a_100000210206_100000758764 [1,1,0,0,0,0|0,1,1]=4 733 B12R1.1809 CC(C)SCCC1(OCCO1)C 62a_100000758764_100000210206 [1,1,0,0,0,0|0,1,1]=4 734 B12R1.1809 CC(O)CNCC1(OCCO1)C 2230a_100000691740_100011218427 [1,1,0,0,0,0|2,0,0]=4 735 B12R1.1809 CC(O)CSCC1(OCCO1)C 62a_100009818610_100011218427 [1,1,0,0,0,0|2,0,0]=4 736 B12R1.1809 CC(O)CSCC1(OCCO1)C 62a_100011218427_100009818610 [1,1,0,0,0,0|2,0,0]=4 737 B12R1.1809 C[C@@H](O)CNCC1(OCCO1)C 2230a_100000691740_100009817552 [1,1,0,0,0,0|2,0,0]=4 738 B12R1.1809 C[C@@H](O)CSCC1(OCCO1)C 62a_100009817552_100009818610 [1,1,0,0,0,0|2,0,0]=4 739 B12R1.1809 C[C@@H](O)CSCC1(OCCO1)C 62a_100009818610_100009817552 [1,1,0,0,0,0|2,0,0]=4 740 B12R1.1329 CCN(CC)CC1(OCCO1)C 269956a_100000042499_100009818610 [1,1,0,0,0,0|2,0,0]=4 741 B12R1.1329 CCN(CC)CC1(OCCO1)C 269982a_100000724800_100009818610 [1,1,0,0,0,0|2,0,0]=4 742 B12R1.2212 CC(C)C(=O)CC1(OCCO1)C 1458a_100000137474_100000210206 [1,1,0,0,0,0|0,0,0]=2 743 B12R1.2212 CC(C)N(C)CC1(OCCO1)C 269982a_200000211004_100009818610 [1,1,0,0,0,0|2,0,0]=4 744 B12R1.2212 CN(C)C(=O)CC1(OCCO1)C 11a_100102631434_100000137474 [1,1,0,0,0,0|1,0,0]=3 745 B12R1.2212 CN(C)C(=O)CC1(OCCO1)C 527a_100102631434_100000137474 [1,1,0,0,0,0|1,0,0]=3 746 B12R1.2679 CC(C)CC(=O)C1(CCCO1)C 1458a_100000684770_100000210624 [0,1,0,0,1,0|2,0,0]=4 747 B12R1.2679 CC(C)NC(=O)C1(CCCO1)C 11a_100138425928_100000684770 [0,1,0,0,1,0|2,0,0]=4 748 B12R1.2679 CC(C)NC(=O)C1(CCCO1)C 1626a_100138425928_100000684770 [0,1,0,0,1,0|2,0,0]=4 749 B12R1.2679 CC(C)NC(=O)C1(CCCO1)C 240690a_100138425928_100000684770 [0,1,0,0,1,0|2,0,0]=4 750 B12R1.2679 CC(C)NC(=O)C1(CCCO1)C 527a_100138425928_100000684770 [0,1,0,0,1,0|2,0,0]=4 751 B12R1.2679 CC(O)CC(=O)C1(CCCO1)C 1458a_100000684770_100011218427 [0,1,0,0,1,0|2,0,0]=4 752 B12R1.2044 CCC#CC(=O)CC1(CCC1)C 1458a_100011827653_100000726658 [0,1,0,0,1,0|2,0,0]=4 753 B12R1.2044 CCC=CC(=O)CC1(CCC1)C 1458a_100000212282_100000726658 [0,1,0,0,1,0|2,0,0]=4 754 B12R1.2044 CCCCC(=O)CC1(CCC1)C 1458a_100000210183_100000726658 [0,1,0,0,1,0|2,0,0]=4 755 B12R1.2044 CCOCC(=O)CC1(CCC1)C 1458a_100000211967_100000726658 [0,1,0,0,1,0|1,0,0]=3 756 B12R1.2044 CCOCC(=O)CC1(COC1)C 1458a_100000211967_100000066812 [0,1,0,0,1,0|2,0,0]=4 757 B12R1.2044 CCOCC(=O)NC1(CCC1)C 11a_100000692455_100000211967 [0,1,0,0,1,0|2,0,0]=4 758 B12R1.2044 CCOCC(=O)NC1(CCC1)C 1626a_100000692455_100000211967 [0,1,0,0,1,0|2,0,0]=4 759 B12R1.2044 CCOCC(=O)NC1(CCC1)C 240690a_100000692455_100000211967 [0,1,0,0,1,0|2,0,0]=4 760 B12R1.2044 CCOCC(=O)NC1(CCC1)C 527a_100000692455_100000211967 [0,1,0,0,1,0|2,0,0]=4 761 B12R1.2044 CCSCC(=O)CC1(CCC1)C 1458a_100000230394_100000726658 [0,1,0,0,1,0|1,1,0]=4 762 B12R1.2044 COCCC(=O)CC1(CCC1)C 1458a_100000749529_100000726658 [0,1,0,0,1,0|2,0,0]=4 763 B12R1.2044 CSCCC(=O)CC1(CCC1)C 1458a_100000174002_100000726658 [0,1,0,0,1,0|2,0,0]=4 764 B12R1.2092 CCC(C)C(=O)CC1(CCC1)C 1458a_100011192722_100000726658 [0,1,0,0,1,0|2,0,0]=4 765 B12R1.2092 CCC(O)C(=O)CC1(CCC1)C 1458a_100011196387_100000726658 [0,1,0,0,1,0|2,0,0]=4 766 B12R1.2686 CC(C)CC(=O)CC1(CCC1)C 1458a_100000210554_100000726658 [0,1,0,0,1,0|2,0,0]=4 767 B12R1.2686 C[C@@H](O)CC(=O)CC1(CCC1)C 1458a_100011933948_100000726658 [0,1,0,0,1,0|2,0,0]=4 768 B14R1.2492 C#CCCC(=O)CCC1(OCCO1)C 1458a_100000692101_100000758764 [0,1,0,0,0,1|1,0,1]=4 769 B14R1.2492 C#CCCC(=O)NCC1(OCCO1)C 11a_100000691740_100000692101 [0,1,0,0,0,1|1,0,1]=4 770 B14R1.2492 C#CCCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000692101 [0,1,0,0,0,1|1,0,1]=4 771 B14R1.2492 C#CCCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000692101 [0,1,0,0,0,1|1,0,1]=4 772 B14R1.2492 C#CCCC(=O)NCC1(OCCO1)C 527a_100000691740_100000692101 [0,1,0,0,0,1|1,0,1]=4 773 B14R1.2492 C#CCNC(=O)NCC1(OCCO1)C 2708a_100000212058_100000691740 [0,1,0,0,0,1|1,0,1]=4 774 B14R1.2492 C#CCNC(=O)NCC1(OCCO1)C 2708a_100000691740_100000212058 [0,1,0,0,0,1|1,0,1]=4 775 B14R1.2492 C#CCNC(=O)NCC1(OCCO1)C 273464a_100000212058_100000691740 [0,1,0,0,0,1|1,0,1]=4 776 B14R1.2492 C#CCNC(=O)NCC1(OCCO1)C 273464a_100000691740_100000212058 [0,1,0,0,0,1|1,0,1]=4 777 B14R1.2492 C#CCNC(=O)NCC1(OCCO1)C 512a_100000212058_100000691740 [0,1,0,0,0,1|1,0,1]=4 778 B14R1.2492 C#CCNC(=O)NCC1(OCCO1)C 512a_100000691740_100000212058 [0,1,0,0,0,1|1,0,1]=4 779 B14R1.2492 C=CCCC(=O)CCC1(OCCO1)C 1458a_100000749702_100000758764 [0,1,0,0,0,1|1,0,1]=4 780 B14R1.2492 C=CCCC(=O)NCC1(OCCO1)C 11a_100000691740_100000749702 [0,1,0,0,0,1|1,0,1]=4 781 B14R1.2492 C=CCCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000749702 [0,1,0,0,0,1|1,0,1]=4 782 B14R1.2492 C=CCCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000749702 [0,1,0,0,0,1|1,0,1]=4 783 B14R1.2492 C=CCCC(=O)NCC1(OCCO1)C 527a_100000691740_100000749702 [0,1,0,0,0,1|1,0,1]=4 784 B14R1.2492 C=CCNC(=O)NCC1(OCCO1)C 2708a_100000691740_100020586998 [0,1,0,0,0,1|1,0,1]=4 785 B14R1.2492 C=CCNC(=O)NCC1(OCCO1)C 273464a_100000691740_100020586998 [0,1,0,0,0,1|1,0,1]=4 786 B14R1.2492 C=CCNC(=O)NCC1(OCCO1)C 273464a_100020586998_100000691740 [0,1,0,0,0,1|1,0,1]=4 787 B14R1.2492 C=CCNC(=O)NCC1(OCCO1)C 512a_100000691740_100020586998 [0,1,0,0,0,1|1,0,1]=4 788 B14R1.2492 C=CCNC(=O)NCC1(OCCO1)C 512a_100020586998_100000691740 [0,1,0,0,0,1|1,0,1]=4 789 B14R1.2492 CC1(OCCO1)CCC(=O)C#CCO 1458a_100000049017_100000758764 [0,1,0,0,0,1|1,0,1]=4 790 B14R1.2492 CC1(OCCO1)CCC(=O)CCC#N 1458a_100011934036_100000758764 [0,1,0,0,0,1|1,0,1]=4 791 B14R1.2492 CC1(OCCO1)CNC(=O)CCC#N 11a_100000691740_100011934036 [0,1,0,0,0,1|1,0,1]=4 792 B14R1.2492 CC1(OCCO1)CNC(=O)CCC#N 1626a_100000691740_100011934036 [0,1,0,0,0,1|1,0,1]=4 793 B14R1.2492 CC1(OCCO1)CNC(=O)CCC#N 240690a_100000691740_100011934036 [0,1,0,0,0,1|1,0,1]=4 794 B14R1.2492 CC1(OCCO1)CNC(=O)CCC#N 527a_100000691740_100011934036 [0,1,0,0,0,1|1,0,1]=4 795 B14R1.2492 CC1(OCCO1)CNC(=O)NCC#N 2708a_100000734998_100000691740 [0,1,0,0,0,1|1,0,1]=4 796 B14R1.2492 CC1(OCCO1)CNC(=O)NCC#N 273464a_100000691740_100000734998 [0,1,0,0,0,1|1,0,1]=4 797 B14R1.2492 CC1(OCCO1)CNC(=O)NCC#N 273464a_100000734998_100000691740 [0,1,0,0,0,1|1,0,1]=4 798 B14R1.2492 CC1(OCCO1)CNC(=O)NCC#N 512a_100000691740_100000734998 [0,1,0,0,0,1|1,0,1]=4 799 B14R1.2492 CC1(OCCO1)CNC(=O)NCC#N 512a_100000734998_100000691740 [0,1,0,0,0,1|1,0,1]=4 800 B14R1.2492 CC1(OCCO1)CNC(=O)NCCF 2708a_100000691740_100000724931 [0,1,0,0,0,1|1,0,0]=3 801 B14R1.2492 CC1(OCCO1)CNC(=O)NCCF 273464a_100000691740_100000724931 [0,1,0,0,0,1|1,0,0]=3 802 B14R1.2492 CC1(OCCO1)CNC(=O)NCCF 273464a_100000724931_100000691740 [0,1,0,0,0,1|1,0,0]=3 803 B14R1.2492 CC1(OCCO1)CNC(=O)NCCF 512a_100000691740_100000724931 [0,1,0,0,0,1|1,0,0]=3 804 B14R1.2492 CC1(OCCO1)CNC(=O)NCCO 2708a_100000691740_100000210304 [0,1,0,0,0,1|1,0,0]=3 805 B14R1.2492 CC1(OCCO1)CNC(=O)NCCO 273464a_100000210304_100000691740 [0,1,0,0,0,1|1,0,0]=3 806 B14R1.2492 CC1(OCCO1)CNC(=O)NCCO 273464a_100000691740_100000210304 [0,1,0,0,0,1|1,0,0]=3 807 B14R1.2492 CC1(OCCO1)CNC(=O)NCCO 512a_100000691740_100000210304 [0,1,0,0,0,1|1,0,0]=3 808 B14R1.2492 CC=CCC(=O)CCC1(OCCO1)C 1458a_100121576822_100000758764 [0,1,0,0,0,1|1,0,1]=4 809 B14R1.2492 CC=CCC(=O)NCC1(OCCO1)C 11a_100000691740_100121576822 [0,1,0,0,0,1|1,0,1]=4 810 B14R1.2492 CC=CCC(=O)NCC1(OCCO1)C 1626a_100000691740_100121576822 [0,1,0,0,0,1|1,0,1]=4 811 B14R1.2492 CC=CCC(=O)NCC1(OCCO1)C 240690a_100000691740_100121576822 [0,1,0,0,0,1|1,0,1]=4 812 B14R1.2492 CC=CCC(=O)NCC1(OCCO1)C 527a_100000691740_100121576822 [0,1,0,0,0,1|1,0,1]=4 813 B14R1.2492 CCC#CC(=O)CCC1(OCCO1)C 1458a_100011827653_100000758764 [0,1,0,0,0,1|1,0,0]=3 814 B14R1.2492 CCC=CC(=O)CCC1(OCCO1)C 1458a_100000212282_100000758764 [0,1,0,0,0,1|1,0,0]=3 815 B14R1.2492 CCC=CC(=O)NCC1(OCCO1)C 11a_100000691740_100000212282 [0,1,0,0,0,1|1,0,0]=3 816 B14R1.2492 CCC=CC(=O)NCC1(OCCO1)C 1626a_100000691740_100000212282 [0,1,0,0,0,1|1,0,0]=3 817 B14R1.2492 CCC=CC(=O)NCC1(OCCO1)C 240690a_100000691740_100000212282 [0,1,0,0,0,1|1,0,0]=3 818 B14R1.2492 CCCCC(=O)CCC1(OCCO1)C 1458a_100000210183_100000758764 [0,1,0,0,0,1|1,0,0]=3 819 B14R1.2492 CCCCC(=O)NCC1(OCCO1)C 11a_100000691740_100000210183 [0,1,0,0,0,1|1,0,0]=3 820 B14R1.2492 CCCCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000210183 [0,1,0,0,0,1|1,0,0]=3 821 B14R1.2492 CCCCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000210183 [0,1,0,0,0,1|1,0,0]=3 822 B14R1.2492 CCCCC(=O)NCC1(OCCO1)C 527a_100000691740_100000210183 [0,1,0,0,0,1|1,0,0]=3 823 B14R1.2492 CCCNC(=O)NCC1(OCCO1)C 2708a_100000691740_100020643023 [0,1,0,0,0,1|1,0,0]=3 824 B14R1.2492 CCCNC(=O)NCC1(OCCO1)C 2708a_100020643023_100000691740 [0,1,0,0,0,1|1,0,0]=3 825 B14R1.2492 CCCNC(=O)NCC1(OCCO1)C 273464a_100000691740_100020643023 [0,1,0,0,0,1|1,0,0]=3 826 B14R1.2492 CCCNC(=O)NCC1(OCCO1)C 273464a_100020643023_100000691740 [0,1,0,0,0,1|1,0,0]=3 827 B14R1.2492 CCCNC(=O)NCC1(OCCO1)C 512a_100000691740_100020643023 [0,1,0,0,0,1|1,0,0]=3 828 B14R1.2492 CCCNC(=O)NCC1(OCCO1)C 512a_100020643023_100000691740 [0,1,0,0,0,1|1,0,0]=3 829 B14R1.2492 CCCOC(=O)COC1(CCCC1)C 34a_100000751722_200011215008 [0,1,0,0,0,1|2,0,0]=4 830 B14R1.2492 CCCOC(=O)COC1(CCCC1)C 7a_100000751722_200011215008 [0,1,0,0,0,1|2,0,0]=4 831 B14R1.2492 CCNNC(=O)NCC1(OCCO1)C 273464a_100000691740_100000756455 [0,1,0,0,0,1|1,0,0]=3 832 B14R1.2492 CCNNC(=O)NCC1(OCCO1)C 512a_100000691740_100000756455 [0,1,0,0,0,1|1,0,0]=3 833 B14R1.2492 CCNNC(=O)NCC1(OCCO1)C 512a_100000756455_100000691740 [0,1,0,0,0,1|1,0,0]=3 834 B14R1.2492 CCOCC(=O)CCC1(OCCO1)C 1458a_100000211967_100000758764 [0,1,0,0,0,1|0,0,0]=2 835 B14R1.2492 CCOCC(=O)NCC1(OCCO1)C 11a_100000691740_100000211967 [0,1,0,0,0,1|0,0,0]=2 836 B14R1.2492 CCOCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000211967 [0,1,0,0,0,1|0,0,0]=2 837 B14R1.2492 CCOCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000211967 [0,1,0,0,0,1|0,0,0]=2 838 B14R1.2492 CCOCC(=O)NCC1(OCCO1)C 527a_100000691740_100000211967 [0,1,0,0,0,1|0,0,0]=2 839 B14R1.2492 CCSCC(=O)CCC1(OCCO1)C 1458a_100000230394_100000758764 [0,1,0,0,0,1|0,1,0]=3 840 B14R1.2492 CCSCC(=O)NCC1(OCCO1)C 11a_100000691740_100000230394 [0,1,0,0,0,1|0,1,0]=3 841 B14R1.2492 CCSCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000230394 [0,1,0,0,0,1|0,1,0]=3 842 B14R1.2492 CCSCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000230394 [0,1,0,0,0,1|0,1,0]=3 843 B14R1.2492 CCSCC(=O)NCC1(OCCO1)C 527a_100000691740_100000230394 [0,1,0,0,0,1|0,1,0]=3 844 B14R1.2492 COC=CC(=O)CCC1(OCCO1)C 1458a_100016268678_100000758764 [0,1,0,0,0,1|1,0,1]=4 845 B14R1.2492 COC=CC(=O)NCC1(OCCO1)C 1626a_100000691740_100016268678 [0,1,0,0,0,1|1,0,1]=4 846 B14R1.2492 COC=CC(=O)NCC1(OCCO1)C 240690a_100000691740_100016268678 [0,1,0,0,0,1|1,0,1]=4 847 B14R1.2492 COCCC(=O)CCC1(OCCO1)C 1458a_100000749529_100000758764 [0,1,0,0,0,1|1,0,0]=3 848 B14R1.2492 COCCC(=O)NCC1(OCCO1)C 11a_100000691740_100000749529 [0,1,0,0,0,1|1,0,0]=3 849 B14R1.2492 COCCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000749529 [0,1,0,0,0,1|1,0,0]=3 850 B14R1.2492 COCCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000749529 [0,1,0,0,0,1|1,0,0]=3 851 B14R1.2492 COCCC(=O)NCC1(OCCO1)C 527a_100000691740_100000749529 [0,1,0,0,0,1|1,0,0]=3 852 B14R1.2492 CSCCC(=O)CCC1(OCCO1)C 1458a_100000174002_100000758764 [0,1,0,0,0,1|1,0,0]=3 853 B14R1.2492 CSCCC(=O)NCC1(OCCO1)C 11a_100000691740_100000174002 [0,1,0,0,0,1|1,0,0]=3 854 B14R1.2492 CSCCC(=O)NCC1(OCCO1)C 1626a_100000691740_100000174002 [0,1,0,0,0,1|1,0,0]=3 855 B14R1.2492 CSCCC(=O)NCC1(OCCO1)C 240690a_100000691740_100000174002 [0,1,0,0,0,1|1,0,0]=3 856 B14R1.2492 CSCCC(=O)NCC1(OCCO1)C 527a_100000691740_100000174002 [0,1,0,0,0,1|1,0,0]=3 857 B14R1.2787 C/C=C(\C)/C(=O)CCC1(OCCO1)C 1458a_100020587367_100000758764 [0,1,0,0,0,1|1,0,1]=4 858 B14R1.2787 C/C=C(\C)/C(=O)NCC1(OCCO1)C 11a_100000691740_100020587367 [0,1,0,0,0,1|1,0,1]=4 859 B14R1.2787 C/C=C(\C)/C(=O)NCC1(OCCO1)C 1626a_100000691740_100020587367 [0,1,0,0,0,1|1,0,1]=4 860 B14R1.2787 CC1(OCCO1)CCC(=O)C(O)CO 1458a_100011215603_100000758764 [0,1,0,0,0,1|2,0,0]=4 861 B14R1.2787 CC1(OCCO1)CNC(=O)C(O)CO 240690a_100000691740_100011215603 [0,1,0,0,0,1|2,0,0]=4 862 B14R1.2787 CCC(C)C(=O)CCC1(OCCO1)C 1458a_100011192722_100000758764 [0,1,0,0,0,1|1,0,0]=3 863 B14R1.2787 CCC(C)C(=O)NCC1(OCCO1)C 11a_100000691740_100011192722 [0,1,0,0,0,1|1,0,0]=3 864 B14R1.2787 CCC(C)C(=O)NCC1(OCCO1)C 1626a_100000691740_100011192722 [0,1,0,0,0,1|1,0,0]=3 865 B14R1.2787 CCC(C)C(=O)NCC1(OCCO1)C 240690a_100000691740_100011192722 [0,1,0,0,0,1|1,0,0]=3 866 B14R1.2787 CCC(C)C(=O)NCC1(OCCO1)C 527a_100000691740_100011192722 [0,1,0,0,0,1|1,0,0]=3 867 B14R1.2787 CCC(O)C(=O)CCC1(OCCO1)C 1458a_100011196387_100000758764 [0,1,0,0,0,1|1,0,0]=3 868 B14R1.2787 CCC(O)C(=O)NCC1(OCCO1)C 240690a_100000691740_100011196387 [0,1,0,0,0,1|1,0,0]=3 869 B14R1.2787 CCN(C)C(=O)NCC1(OCCO1)C 2708a_100000691740_100000225621 [0,1,0,0,0,1|1,0,0]=3 870 B14R1.2787 CCN(C)C(=O)NCC1(OCCO1)C 273464a_100000691740_100000225621 [0,1,0,0,0,1|1,0,0]=3 871 B14R1.2787 CNC(=O)C(=O)CCC1(OCCO1)C 1458a_100011218921_100000758764 [0,1,0,0,0,1|2,0,0]=4 872 B14R1.2787 CNC(=O)C(=O)NCC1(OCCO1)C 1626a_100000691740_100011218921 [0,1,0,0,0,1|2,0,0]=4 873 B14R1.2787 CNC(=O)C(=O)NCC1(OCCO1)C 240690a_100000691740_100011218921 [0,1,0,0,0,1|2,0,0]=4 874 B14R1.2787 CNC(=O)C(=O)NCC1(OCCO1)C 527a_100000691740_100011218921 [0,1,0,0,0,1|2,0,0]=4 875 B14R1.2787 COC(=O)C(=O)NCC1(OCCO1)C 11a_100000691740_100000024059 [0,1,0,0,0,1|2,0,0]=4 876 B14R1.2787 COC(=O)C(=O)NCC1(OCCO1)C 1626a_100000691740_100000024059 [0,1,0,0,0,1|2,0,0]=4 877 B14R1.2787 COC(=O)C(=O)NCC1(OCCO1)C 240690a_100000691740_100000024059 [0,1,0,0,0,1|2,0,0]=4 878 B14R1.2787 COC(=O)C(=O)NCC1(OCCO1)C 527a_100000691740_100000024059 [0,1,0,0,0,1|2,0,0]=4 879 B14R1.2787 COC(C)C(=O)CCC1(OCCO1)C 1458a_100000743197_100000758764 [0,1,0,0,0,1|2,0,0]=4 880 B14R1.2787 COC(C)C(=O)NCC1(OCCO1)C 11a_100000691740_100000743197 [0,1,0,0,0,1|2,0,0]=4 881 B14R1.2787 COC(C)C(=O)NCC1(OCCO1)C 1626a_100000691740_100000743197 [0,1,0,0,0,1|2,0,0]=4 882 B14R1.2787 COC(C)C(=O)NCC1(OCCO1)C 240690a_100000691740_100000743197 [0,1,0,0,0,1|2,0,0]=4 883 B14R1.2787 COC(C)C(=O)NCC1(OCCO1)C 527a_100000691740_100000743197 [0,1,0,0,0,1|2,0,0]=4 884 B14R1.2787 CSC(C)C(=O)CCC1(OCCO1)C 1458a_100000149566_100000758764 [0,1,0,0,0,1|2,0,0]=4 885 B14R1.2787 CSC(C)C(=O)NCC1(OCCO1)C 11a_100000691740_100000149566 [0,1,0,0,0,1|2,0,0]=4 886 B14R1.2787 CSC(C)C(=O)NCC1(OCCO1)C 1626a_100000691740_100000149566 [0,1,0,0,0,1|2,0,0]=4 887 B14R1.2787 CSC(C)C(=O)NCC1(OCCO1)C 240690a_100000691740_100000149566 [0,1,0,0,0,1|2,0,0]=4 888 B14R1.2787 CSC(C)C(=O)NCC1(OCCO1)C 527a_100000691740_100000149566 [0,1,0,0,0,1|2,0,0]=4 889 B14R1.9885 CCCS(=O)(=O)NCC1(OCCO1)C 270084a_100000691740_100000211391 [0,1,0,0,0,1|2,0,0]=4 890 B14R1.9885 CCCS(=O)(=O)NCC1(OCCO1)C 274078a_100000691740_100000211391 [0,1,0,0,0,1|2,0,0]=4 891 B14R1.9885 CCCS(=O)(=O)NCC1(OCCO1)C 40a_100000691740_100000054278 [0,1,0,0,0,1|2,0,0]=4 892 B14R1.10078 CCCC(=O)CC(=O)C1(CCCO1)C 1458a_100000684770_100000747444 [0,1,0,0,0,1|2,0,0]=4 893 B14R1.10078 CCNC(=O)CC(=O)C1(CCCO1)C 1458a_100000684770_100000183381 [0,1,0,0,0,1|2,0,0]=4 894 B14R1.10078 CCOC(=O)CC(=O)C1(CCCC1)C 1458a_100000239728_100000188475 [0,1,0,0,0,1|2,0,0]=4 895 B14R1.10078 CCOC(=O)CC(=O)C1(CCCO1)C 1458a_100000684770_100000188475 [0,1,0,0,0,1|1,0,0]=3 896 B14R1.10449 CCOC(=O)C(C)OC1(CCCC1)C 34a_100000751722_100011216346 [0,1,0,0,0,1|2,0,0]=4 897 B14R1.10449 CCOC(=O)C(C)OC1(CCCC1)C 7a_100000751722_100011216346 [0,1,0,0,0,1|2,0,0]=4 898 B14R1.10449 CCOC(=O)C(F)OC1(CCCC1)C 34a_100000751722_100000760018 [0,1,0,0,0,1|2,0,0]=4 899 B14R1.10449 CCOC(=O)C(F)OC1(CCCC1)C 7a_100000751722_100000040065 [0,1,0,0,0,1|2,0,0]=4 900 B14R1.13051 CC(=CC(=O)CCC1(OCCO1)C)C 1458a_100000211388_100000758764 [0,1,0,0,0,1|1,0,1]=4 901 B14R1.13051 CC(=CC(=O)CCC1(OCCO1)C)Cl 1458a_200042562850_100000758764 [0,1,0,0,0,1|1,0,1]=4 902 B14R1.13051 CC(=CC(=O)CCC1(OCCO1)C)I 1458a_100025716642_100000758764 [0,1,0,0,0,1|1,0,1]=4 903 B14R1.13051 CC(=CC(=O)NCC1(OCCO1)C)C 11a_100000691740_100000211388 [0,1,0,0,0,1|1,0,1]=4 904 B14R1.13051 CC(=CC(=O)NCC1(OCCO1)C)C 1626a_100000691740_100000211388 [0,1,0,0,0,1|1,0,1]=4 905 B14R1.13051 CC(=CC(=O)NCC1(OCCO1)C)C 240690a_100000691740_100000211388 [0,1,0,0,0,1|1,0,1]=4 906 B14R1.13051 CC(=CC(=O)NCC1(OCCO1)C)Cl 11a_100000691740_200042562850 [0,1,0,0,0,1|1,0,1]=4 907 B14R1.13051 CC(=CC(=O)NCC1(OCCO1)C)Cl 1626a_100000691740_200042562850 [0,1,0,0,0,1|1,0,1]=4 908 B14R1.13051 CC(=CC(=O)NCC1(OCCO1)C)Cl 240690a_100000691740_200042562850 [0,1,0,0,0,1|1,0,1]=4 909 B14R1.13051 CC(=CC(=O)NCC1(OCCO1)C)I 11a_100000691740_100025716642 [0,1,0,0,0,1|1,0,1]=4 910 B14R1.13051 CC(=CC(=O)NCC1(OCCO1)C)I 1626a_100000691740_100025716642 [0,1,0,0,0,1|1,0,1]=4 911 B14R1.13051 CC(C)CC(=O)CCC1(OCCO1)C 1458a_100000210554_100000758764 [0,1,0,0,0,1|1,0,0]=3 912 B14R1.13051 CC(C)CC(=O)NCC1(OCCO1)C 11a_100000691740_100000210554 [0,1,0,0,0,1|1,0,0]=3 913 B14R1.13051 CC(C)CC(=O)NCC1(OCCO1)C 1626a_100000691740_100000210554 [0,1,0,0,0,1|1,0,0]=3 914 B14R1.13051 CC(C)CC(=O)NCC1(OCCO1)C 240690a_100000691740_100000210554 [0,1,0,0,0,1|1,0,0]=3 915 B14R1.13051 CC(C)CC(=O)NCC1(OCCO1)C 527a_100000691740_100000210554 [0,1,0,0,0,1|1,0,0]=3 916 B14R1.13051 CC(C)NC(=O)NCC1(OCCO1)C 2708a_100000691740_100138425928 [0,1,0,0,0,1|1,0,0]=3 917 B14R1.13051 CC(C)NC(=O)NCC1(OCCO1)C 2708a_100138425928_100000691740 [0,1,0,0,0,1|1,0,0]=3 918 B14R1.13051 CC(C)NC(=O)NCC1(OCCO1)C 273464a_100138425928_100000691740 [0,1,0,0,0,1|1,0,0]=3 919 B14R1.13051 CC(C)NC(=O)NCC1(OCCO1)C 512a_100000691740_100138425928 [0,1,0,0,0,1|1,0,0]=3 920 B14R1.13051 CC(C)NC(=O)NCC1(OCCO1)C 512a_100138425928_100000691740 [0,1,0,0,0,1|1,0,0]=3 921 B14R1.13051 CC(C)OC(=O)COC1(CCCC1)C 34a_100000751722_100011215430 [0,1,0,0,0,1|2,0,0]=4 922 B14R1.13051 CC(C)OC(=O)COC1(CCCC1)C 7a_100000751722_100011215430 [0,1,0,0,0,1|2,0,0]=4 923 B14R1.13051 CN(C)CC(=O)CCC1(OCCO1)C 1458a_100000750896_100000758764 [0,1,0,0,0,1|2,0,0]=4 924 B14R1.13051 CN(C)CC(=O)NCC1(OCCO1)C 11a_100000691740_100000750896 [0,1,0,0,0,1|2,0,0]=4 925 B14R1.13051 CN(C)CC(=O)NCC1(OCCO1)C 240690a_100000691740_100000750896 [0,1,0,0,0,1|2,0,0]=4 926 B14R1.13051 CN(C)CC(=O)NCC1(OCCO1)C 527a_100000691740_100000750896 [0,1,0,0,0,1|2,0,0]=4 927 B14R1.13051 C[C@@H](O)CC(=O)CCC1(OCCO1)C 1458a_100011933948_100000758764 [0,1,0,0,0,1|1,0,0]=3 928 B14R1.13051 C[C@@H](O)CC(=O)NCC1(OCCO1)C 240690a_100000691740_100011933948 [0,1,0,0,0,1|1,0,0]=3 929 B14R1.13051 C[S+](C)CC(=O)CCC1(OCCO1)C 1458a_200159257847_100000758764 [0,1,0,0,0,1|2,0,0]=4 930 B14R1.13051 C[S+](C)CC(=O)NCC1(OCCO1)C 11a_100000691740_200159257847 [0,1,0,0,0,1|2,0,0]=4 931 B14R1.13051 C[S+](C)CC(=O)NCC1(OCCO1)C 1626a_100000691740_200159257847 [0,1,0,0,0,1|2,0,0]=4 932 B14R1.13051 C[S+](C)CC(=O)NCC1(OCCO1)C 240690a_100000691740_200159257847 [0,1,0,0,0,1|2,0,0]=4 933 B14R1.13051 C[S+](C)CC(=O)NCC1(OCCO1)C 527a_100000691740_200159257847 [0,1,0,0,0,1|2,0,0]=4 934 B14R1.18889 CCOC(=O)CO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000188475 [0,1,0,0,0,1|2,0,0]=4 935 B14R1.18891 CCOC(=O)CNC1(CCCC1)CC 2230a_100015183760_100000188475 [0,1,0,0,0,1|2,0,0]=4 936 B14R1.18891 CCOC(=O)CNC1(CCCC1)CO 2230a_100000749328_100000188475 [0,1,0,0,0,1|2,0,0]=4 937 B14R1.18891 CCOC(=O)CNC1(CCCC1)CO 34a_100000749328_100000188475 [0,1,0,0,0,1|2,0,0]=4 938 B14R1.18891 CCOC(=O)COC1(CCCC1)CC 7a_100000752416_100000188475 [0,1,0,0,0,1|2,0,0]=4 939 B14R1.18891 CCOC(=O)COC1(CCCC1)CN 34a_100000737848_100000188475 [0,1,0,0,0,1|2,0,0]=4 940 B14R1.19189 CCOC(=O)CC1(CCCCC1)OC 7a_100011667585_200000210301 [0,1,0,0,0,1|2,0,0]=4 941 B14R1.19189 CCOC(=O)CC1(CCCCC1)O[13CH3] 7a_100011667585_200025704644 [0,1,0,0,0,1|2,0,0]=4 942 B14R1.3064 C#CCCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000731252 [0,2,0,0,0,0|1,0,0]=3 943 B14R1.3064 C#CCCNC(=O)CC1(OCCO1)C 11a_100000755551_100000137474 [0,2,0,0,0,0|1,0,0]=3 944 B14R1.3064 C#CCCNC(=O)CC1(OCCO1)C 527a_100000755551_100000137474 [0,2,0,0,0,0|1,0,0]=3 945 B14R1.3064 C=CCCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000757094 [0,2,0,0,0,0|1,0,0]=3 946 B14R1.3064 C=CCCNC(=O)CC1(OCCO1)C 11a_100015191253_100000137474 [0,2,0,0,0,0|1,0,0]=3 947 B14R1.3064 C=CCCNC(=O)CC1(OCCO1)C 527a_100015191253_100000137474 [0,2,0,0,0,0|1,0,0]=3 948 B14R1.3064 C=CCNNC(=O)CC1(OCCO1)C 22a_100020588587_100000137474 [0,2,0,0,0,0|1,0,1]=4 949 B14R1.3064 C=COCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000039644 [0,2,0,0,0,0|0,0,2]=4 950 B14R1.3064 CC#CCNC(=O)CC1(OCCO1)C 11a_100000685387_100000137474 [0,2,0,0,0,0|1,0,0]=3 951 B14R1.3064 CC#CCNC(=O)CC1(OCCO1)C 527a_100000685387_100000137474 [0,2,0,0,0,0|1,0,0]=3 952 B14R1.3064 CC/C=C\CC(=O)CC1(OCCO1)C 1458a_100000137474_100103147603 [0,2,0,0,0,0|1,0,0]=3 953 B14R1.3064 CC1(OCCO1)CC(=O)CC#CCO 1458a_100000137474_200000047223 [0,2,0,0,0,0|1,0,1]=4 954 B14R1.3064 CC1(OCCO1)CC(=O)CCCC#N 1458a_100000137474_100000211468 [0,2,0,0,0,0|1,0,0]=3 955 B14R1.3064 CC1(OCCO1)CC(=O)CCCCF 1458a_100000137474_100000729493 [0,2,0,0,0,0|1,0,0]=3 956 B14R1.3064 CC1(OCCO1)CC(=O)CCCCO 1458a_100000137474_100000210776 [0,2,0,0,0,0|1,0,0]=3 957 B14R1.3064 CC1(OCCO1)CC(=O)NCCC#N 11a_100000720768_100000137474 [0,2,0,0,0,0|1,0,0]=3 958 B14R1.3064 CC1(OCCO1)CC(=O)NCCC#N 527a_100000720768_100000137474 [0,2,0,0,0,0|1,0,0]=3 959 B14R1.3064 CC1(OCCO1)CC(=O)NCCCF 11a_100015189416_100000137474 [0,2,0,0,0,0|1,0,0]=3 960 B14R1.3064 CC1(OCCO1)CC(=O)NCCCF 527a_100015189416_100000137474 [0,2,0,0,0,0|1,0,0]=3 961 B14R1.3064 CC1(OCCO1)CC(=O)NCCCO 527a_100000182051_100000137474 [0,2,0,0,0,0|1,0,0]=3 962 B14R1.3064 CC1(OCCO1)CC(=O)NNCCO 22a_100000210001_100000137474 [0,2,0,0,0,0|1,0,0]=3 963 B14R1.3064 CCC#CCC(=O)CC1(OCCO1)C 1458a_100000137474_100009813939 [0,2,0,0,0,0|1,0,0]=3 964 B14R1.3064 CCCCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210326 [0,2,0,0,0,0|1,0,0]=3 965 B14R1.3064 CCCCNC(=O)CC1(OCCO1)C 11a_100000102301_100000137474 [0,2,0,0,0,0|1,0,0]=3 966 B14R1.3064 CCCCNC(=O)CC1(OCCO1)C 527a_100000102301_100000137474 [0,2,0,0,0,0|1,0,0]=3 967 B14R1.3064 CCCNNC(=O)CC1(OCCO1)C 22a_100000740057_100000137474 [0,2,0,0,0,0|1,0,0]=3 968 B14R1.3064 CCOCCC(=O)CC1(OCCO1)C 1458a_100000137474_100011215890 [0,2,0,0,0,0|0,0,0]=2 969 B14R1.3064 CCSCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000757381 [0,2,0,0,0,0|0,1,0]=3 970 B14R1.3064 COCCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000740836 [0,2,0,0,0,0|1,0,0]=3 971 B14R1.3064 COCCNC(=O)CC1(OCCO1)C 527a_100000209980_100000137474 [0,2,0,0,0,0|1,0,0]=3 972 B14R1.3064 CSCCNC(=O)CC1(OCCO1)C 11a_100020590264_100000137474 [0,2,0,0,0,0|1,0,0]=3 973 B14R1.3064 CSCCNC(=O)CC1(OCCO1)C 527a_100020590264_100000137474 [0,2,0,0,0,0|1,0,0]=3 974 B14R1.7106 C#CC(C)NC(=O)CC1(OCCO1)C 11a_100000707721_100000137474 [0,2,0,0,0,0|1,0,0]=3 975 B14R1.7106 C#CC(C)NC(=O)CC1(OCCO1)C 527a_100000707721_100000137474 [0,2,0,0,0,0|1,0,0]=3 976 B14R1.7106 CC(C#N)NC(=O)CC1(OCCO1)C 11a_100000737613_100000137474 [0,2,0,0,0,0|1,0,0]=3 977 B14R1.7106 CC(C#N)NC(=O)CC1(OCCO1)C 527a_100000737613_100000137474 [0,2,0,0,0,0|1,0,0]=3 978 B14R1.7106 CCC(=O)CC(=O)CC1(OCCO1)C 1458a_100000137474_100000747405 [0,2,0,0,0,0|1,0,0]=3 979 B14R1.7106 CCC(C)CC(=O)CC1(OCCO1)C 1458a_100000137474_100000748023 [0,2,0,0,0,0|1,0,0]=3 980 B14R1.7106 CCC(C)NC(=O)CC1(OCCO1)C 11a_100000209981_100000137474 [0,2,0,0,0,0|1,0,0]=3 981 B14R1.7106 CCC(C)NC(=O)CC1(OCCO1)C 527a_100000209981_100000137474 [0,2,0,0,0,0|1,0,0]=3 982 B14R1.7106 CCC(O)CC(=O)CC1(OCCO1)C 1458a_100000137474_100011218378 [0,2,0,0,0,0|1,0,0]=3 983 B14R1.7106 CC[C@H](C)CC(=O)CC1(OCCO1)C 1458a_100000137474_100009816398 [0,2,0,0,0,0|1,0,0]=3 984 B14R1.7106 CNC(=O)CC(=O)CC1(OCCO1)C 1458a_100000137474_100000183359 [0,2,0,0,0,0|1,0,1]=4 985 B14R1.7106 COC(=O)CC(=O)CC1(OCCO1)C 1458a_100000137474_100000747449 [0,2,0,0,0,0|1,0,1]=4 986 B14R1.7106 C[C@@H](CO)CC(=O)CC1(OCCO1)C 1458a_100000137474_100000059175 [0,2,0,0,0,0|1,0,0]=3 987 B14R1.7106 C[C@H](CF)NC(=O)CC1(OCCO1)C 11a_100102880703_100000137474 [0,2,0,0,0,0|1,0,0]=3 988 B14R1.7106 C[C@H](CF)NC(=O)CC1(OCCO1)C 527a_100102880703_100000137474 [0,2,0,0,0,0|1,0,0]=3 989 B14R1.7106 C[C@H](CO)NC(=O)CC1(OCCO1)C 527a_100000737577_100000137474 [0,2,0,0,0,0|1,0,0]=3 990 B14R1.10391 C=C(C)CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000730704 [0,2,0,0,0,0|1,0,0]=3 991 B14R1.10391 C=C(C)CNC(=O)CC1(OCCO1)C 11a_100000765925_100000137474 [0,2,0,0,0,0|1,0,0]=3 992 B14R1.10391 C=C(C)CNC(=O)CC1(OCCO1)C 527a_100000765925_100000137474 [0,2,0,0,0,0|1,0,0]=3 993 B14R1.10391 CC(=CCC(=O)CC1(OCCO1)C)C 1458a_100000137474_100000761012 [0,2,0,0,0,0|1,0,1]=4 994 B14R1.10391 CC(=O)NNC(=O)CC1(OCCO1)C 22a_100000189765_100000137474 [0,2,0,0,0,0|1,0,1]=4 995 B14R1.10391 CC(C)CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210312 [0,2,0,0,0,0|1,0,0]=3 996 B14R1.10391 CC(C)CNC(=O)CC1(OCCO1)C 11a_100000210953_100000137474 [0,2,0,0,0,0|1,0,0]=3 997 B14R1.10391 CC(C)CNC(=O)CC1(OCCO1)C 527a_100000210953_100000137474 [0,2,0,0,0,0|1,0,0]=3 998 B14R1.10391 CC(C)NNC(=O)CC1(OCCO1)C 22a_100000741168_100000137474 [0,2,0,0,0,0|1,0,0]=3 999 B14R1.10391 CC(O)CCC(=O)CC1(OCCO1)C 1458a_100000137474_100012276601 [0,2,0,0,0,0|1,0,0]=3 1000 B14R1.10391 CC(O)CNC(=O)CC1(OCCO1)C 11a_100000210904_100000137474 [0,2,0,0,0,0|1,0,0]=3 1001 B14R1.10391 CC(O)CNC(=O)CC1(OCCO1)C 527a_100000210904_100000137474 [0,2,0,0,0,0|1,0,0]=3 1002 B14R1.10391 CC1(OCCO1)CC(=O)NCC(=O)N 11a_100000711301_100000137474 [0,2,0,0,0,0|1,0,1]=4 1003 B14R1.10391 CC1(OCCO1)CC(=O)NCC(=O)N 527a_100000711301_100000137474 [0,2,0,0,0,0|1,0,1]=4 1004 B14R1.10391 CC1(OCCO1)CC(=O)NCC(F)F 11a_100000765723_100000137474 [0,2,0,0,0,0|1,0,0]=3 1005 B14R1.10391 CC1(OCCO1)CC(=O)NCC(F)F 527a_100000765723_100000137474 [0,2,0,0,0,0|1,0,0]=3 1006 B14R1.11200 CCC(CC)C(=O)CC1(OCCO1)C 1458a_100000137474_100000210505 [0,2,0,0,0,0|1,0,0]=3 1007 B14R1.11200 CCN(CC)C(=O)CC1(OCCO1)C 11a_100000724800_100000137474 [0,2,0,0,0,0|1,0,0]=3 1008 B14R1.11200 CCN(CC)C(=O)CC1(OCCO1)C 527a_100000724800_100000137474 [0,2,0,0,0,0|1,0,0]=3 1009 B14R1.13319 CC(=O)C(C)C(=O)CC1(OCCO1)C 1458a_100000137474_100000179758 [0,2,0,0,0,0|1,0,1]=4 1010 B14R1.13319 CC(C)N(C)C(=O)CC1(OCCO1)C 11a_200000211004_100000137474 [0,2,0,0,0,0|1,0,0]=3 1011 B14R1.13319 CC(C)N(C)C(=O)CC1(OCCO1)C 527a_200000211004_100000137474 [0,2,0,0,0,0|1,0,0]=3 1012 B14R1.29424 CC(C)(C)NC(=O)CC1(OCCO1)C 11a_100000715429_100000137474 [0,2,0,0,0,0|1,0,0]=3 1013 B14R1.29424 CC(C)(C)NC(=O)CC1(OCCO1)C 527a_100000715429_100000137474 [0,2,0,0,0,0|1,0,0]=3 1014 B14R1.29424 CC1(OCCO1)CC(=O)C[Si](C)(C)C 1458a_100000137474_100000233785 [0,2,0,0,0,0|1,1,0]=4 1015 B14R1.29424 CC1(OCCO1)CC(=O)NS(=O)(=O)C 2740a_100000171171_100000137474 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [0,0,1,1,0,0|2,0,0]=4 1017 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [0,0,1,1,0,0|2,0,0]=4 1018 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000211992_100000741521 [0,0,1,1,0,0|2,0,0]=4 1019 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000741523_100000210303 [0,0,1,1,0,0|2,0,0]=4 1020 B12R1.32 CCNC(=O)CC1CCCCO1 11a_100015525214_100000238585 [0,0,1,1,0,0|2,0,0]=4 1021 B12R1.32 CCNC(=O)CC1CCCCO1 240690a_100015525214_100000238585 [0,0,1,1,0,0|2,0,0]=4 1022 B12R1.32 CCNC(=O)CC1CCCCO1 527a_100015525214_100000238585 [0,0,1,1,0,0|2,0,0]=4 1023 B12R1.32 CCNC(=O)CC1CCCOC1 11a_100015525214_100000741523 [0,0,1,1,0,0|2,0,0]=4 1024 B12R1.32 CCNC(=O)CC1CCCOC1 240690a_100015525214_100000741523 [0,0,1,1,0,0|2,0,0]=4 1025 B12R1.32 CCNC(=O)CC1CCCOC1 527a_100015525214_100000741523 [0,0,1,1,0,0|2,0,0]=4 1026 B12R1.32 CCOC(=O)CN1CCCOC1 2230a_100000131196_100000188475 [0,0,1,1,0,0|2,0,0]=4 1027 B12R1.32 CCOC(=O)CN1CCCOC1 269982a_100000131196_100000188475 [0,0,1,1,0,0|2,0,0]=4 1028 B12R1.32 CCOC(=O)CN1CCCOC1 34a_100000131196_100000188475 [0,0,1,1,0,0|2,0,0]=4 1029 B12R1.100 CC1CC(CC(O1)C)OCCO 34a_200000691454_100000211926 [0,0,1,1,0,0|1,0,1]=4 1030 B12R1.100 CC1CC(CC(O1)C)OCCO 7a_200000691454_100000211926 [0,0,1,1,0,0|1,0,1]=4 1031 B12R1.380 CCN1CC(CC1=O)NCCO 2230a_100015184948_100000211926 [0,0,1,1,0,0|2,0,0]=4 1032 B12R1.380 CCN1CC(CC1=O)NCCO 34a_100015184948_100000211926 [0,0,1,1,0,0|2,0,0]=4 1033 B12R1.460 CN(CCCO)C1CCOC1=O 2230a_100000213112_100000211211 [0,0,1,1,0,0|2,0,0]=4 1034 B12R1.460 CN(CCCO)C1CCOC1=O 269982a_100000213112_100000211211 [0,0,1,1,0,0|2,0,0]=4 1035 B12R1.519 CCOC(=O)CC(C)N1CCC1 269982a_100000754969_100009817359 [0,0,1,1,0,0|2,0,0]=4 1036 B12R1.521 CCOC(=O)CC(C)SC1CC1 62a_100009817359_100000211595 [0,0,1,1,0,0|1,1,0]=4 1037 B12R1.521 CCOC(=O)CN(C)CC1CO1 2230a_100000220588_100011216344 [0,0,1,1,0,0|2,0,0]=4 1038 B12R1.1621 CCOC(=O)CN1CC(C1)CO 269982a_100016987283_100000188475 [0,0,1,1,0,0|2,0,0]=4 1039 B12R1.1621 CCOC(=O)CN1CC(C1)CO 34a_100016987283_100000188475 [0,0,1,1,0,0|2,0,0]=4 1040 B12R2.1423 O=C(CC1CCCO1)C2CC2 1458a_100000210395_100000203698 [1,0,0,1,0,0|2,0,0]=4 1041 B12R2.1423 O=C(CC1OCCO1)C2CC2 1458a_100000210395_100000755774 [1,0,0,1,0,0|1,0,0]=3 1042 B12R2.1423 O=C(CC1OCCO1)C2CO2 1458a_100000701028_100000755774 [1,0,0,1,0,0|2,0,0]=4 1043 B12R2.1858 CCN1CCC2(C1)OCCO2 2230a_100000059453_100000210202 [1,0,0,1,0,0|1,0,1]=4 1044 B12R2.1858 CCN1CCC2(C1)OCCO2 269982a_100000059453_100000204670 [1,0,0,1,0,0|1,0,1]=4 1045 B12R2.5581 CC1(OCCO1)CSC2CC2 62a_100009818610_100000211595 [1,0,0,1,0,0|2,0,0]=4 1046 B12R2.5621 CC1(OCCO1)CN2CCC2 269982a_100000754969_100009818610 [1,0,0,1,0,0|2,0,0]=4 1047 B12R2.3284 CC1(CCC1)CC(=O)C2CC2 1458a_100000210395_100000726658 [0,0,0,1,1,0|2,0,0]=4 1048 B12R2.3429 CCCC(=O)C1CC12CCC2 1458a_100000687150_100000210303 [0,0,0,1,1,0|2,0,0]=4 1049 B12R2.3429 CCNC(=O)C1CC12CCC2 11a_100015525214_100000687150 [0,0,0,1,1,0|2,0,0]=4 1050 B12R2.3429 CCNC(=O)C1CC12CCC2 240690a_100015525214_100000687150 [0,0,0,1,1,0|2,0,0]=4 1051 B12R2.3429 CCNC(=O)C1CC12CCC2 527a_100015525214_100000687150 [0,0,0,1,1,0|2,0,0]=4 1052 B14R2.8191 CC1(CCCC1)OC2CCOC2=O 34a_100000751722_100000211211 [0,0,0,1,0,1|2,0,0]=4 1053 B14R2.8191 CC1(CCCC1)OC2CCOC2=O 7a_100000751722_100000211211 [0,0,0,1,0,1|2,0,0]=4 1054 B14R2.32269 CCOC1CCC2(CC1)OCCO2 7a_100000739562_100000210202 [0,0,0,1,0,1|1,0,1]=4 1055 B14R2.33855 CC#CC(=O)C1CC2(C1)OCCO2 1458a_100000763181_100009907966 [0,0,0,1,0,1|1,0,1]=4 1056 B14R2.33855 CC=CC(=O)C1CC2(C1)OCCO2 1458a_100000210699_100009907966 [0,0,0,1,0,1|1,0,1]=4 1057 B14R2.33855 CCCC(=O)C1CC2(C1)OCCO2 1458a_100000100527_100000210303 [0,0,0,1,0,1|1,0,0]=3 1058 B14R2.33855 CCCC(=O)C1CC2(C1)OCCO2 1458a_100000211992_100009907966 [0,0,0,1,0,1|1,0,0]=3 1059 B14R2.33855 CCNC(=O)C1CC2(C1)OCCO2 11a_100015525214_100000100527 [0,0,0,1,0,1|1,0,0]=3 1060 B14R2.33855 CCNC(=O)C1CC2(C1)OCCO2 240690a_100015525214_100000100527 [0,0,0,1,0,1|1,0,0]=3 1061 B14R2.33855 CCNC(=O)C1CC2(C1)OCCO2 527a_100015525214_100000100527 [0,0,0,1,0,1|1,0,0]=3 1062 B14R2.33855 CNNC(=O)C1CC2(C1)OCCO2 22a_100016993582_100000100527 [0,0,0,1,0,1|2,0,0]=4 1063 B14R2.33855 COCC(=O)C1CC2(C1)OCCO2 1458a_100000210968_100009907966 [0,0,0,1,0,1|2,0,0]=4 1064 B14R2.33855 CSCC(=O)C1CC2(C1)OCCO2 1458a_100000184570_100009907966 [0,0,0,1,0,1|2,0,0]=4 1065 B14R2.33855 O=C(CCF)C1CC2(C1)OCCO2 1458a_100000100527_100011217306 [0,0,0,1,0,1|2,0,0]=4 1066 B14R2.33855 O=C(CCO)C1CC2(C1)OCCO2 1458a_100000100527_100000211926 [0,0,0,1,0,1|2,0,0]=4 1067 B14R2.33855 O=C(CCO)C1CC2(C1)OCCO2 1458a_100011216618_100009907966 [0,0,0,1,0,1|2,0,0]=4 1068 B14R2.63057 CC1(OCCO1)CCC(=O)C2CC2 1458a_100000210395_100000758764 [0,0,0,1,0,1|1,0,0]=3 1069 B14R2.63057 CC1(OCCO1)CCC(=O)C2CO2 1458a_100000701028_100000758764 [0,0,0,1,0,1|2,0,0]=4 1070 B14R2.63057 CC1(OCCO1)CNC(=O)C2CC2 11a_100000691740_100000210395 [0,0,0,1,0,1|1,0,0]=3 1071 B14R2.63057 CC1(OCCO1)CNC(=O)C2CC2 1626a_100000691740_100000210395 [0,0,0,1,0,1|1,0,0]=3 1072 B14R2.63057 CC1(OCCO1)CNC(=O)C2CC2 240690a_100000691740_100000210395 [0,0,0,1,0,1|1,0,0]=3 1073 B14R2.63057 CC1(OCCO1)CNC(=O)C2CC2 527a_100000691740_100000210395 [0,0,0,1,0,1|1,0,0]=3 1074 B14R2.63057 CC1(OCCO1)CNC(=O)C2CO2 11a_100000691740_100000701028 [0,0,0,1,0,1|2,0,0]=4 1075 B14R2.63057 CC1(OCCO1)CNC(=O)C2CO2 1626a_100000691740_100000701028 [0,0,0,1,0,1|2,0,0]=4 1076 B14R2.63057 CC1(OCCO1)CNC(=O)C2CO2 240690a_100000691740_100000701028 [0,0,0,1,0,1|2,0,0]=4 1077 B14R2.63057 CC1(OCCO1)CNC(=O)C2CO2 527a_100000691740_100000701028 [0,0,0,1,0,1|2,0,0]=4 1078 B14R2.411 CC1(OCCO1)CN2CCCOC2 269982a_100000131196_100009818610 [0,1,0,1,0,0|2,0,0]=4 1079 B14R2.21231 CCOCN1CCC2(C1)OCCO2 269982a_100000059453_100000739092 [0,1,0,1,0,0|2,0,0]=4 1080 B14R2.62939 CC1(OCCO1)CC(=O)CC2CC2 1458a_100000137474_100000742324 [0,1,0,1,0,0|1,0,0]=3 1081 B14R2.62939 CC1(OCCO1)CC(=O)CC2CO2 1458a_100000137474_100011216344 [0,1,0,1,0,0|1,0,0]=3 1082 B14R2.62939 CC1(OCCO1)CC(=O)CC2CS2 1458a_100000137474_100000031435 [0,1,0,1,0,0|1,0,0]=3 1083 B14R2.62939 CC1(OCCO1)CC(=O)C[C@@H]2CO2 1458a_100000137474_100000745022 [0,1,0,1,0,0|1,0,0]=3 1084 B14R2.62939 CC1(OCCO1)CC(=O)NC2CC2 527a_100000212008_100000137474 [0,1,0,1,0,0|1,0,0]=3 1085 B14R2.83850 CC1(OCCO1)CC(=O)C2CCC2 1458a_100000137474_100000749161 [0,1,0,1,0,0|1,0,0]=3 1086 B14R2.83850 CC1(OCCO1)CC(=O)C2COC2 1458a_100000137474_100000687716 [0,1,0,1,0,0|1,0,0]=3 1087 B14R2.83850 CC1(OCCO1)CC(=O)N2CCC2 11a_100000754969_100000137474 [0,1,0,1,0,0|1,0,0]=3 1088 B14R2.83850 CC1(OCCO1)CC(=O)N2CCC2 527a_100000754969_100000137474 [0,1,0,1,0,0|1,0,0]=3 1089 B14R2.32298 CCOC1CCCC2(C1)OCCO2 7a_100009851383_100000210202 [0,1,0,1,0,0|1,0,1]=4 1090 B10R0.19 C#CCOC(C)C(=O)OCC 34a_100000210247_100011216346 [0,0,1,0,1,0|1,0,1]=4 1091 B10R0.19 C#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000038162 [0,0,1,0,1,0|1,0,1]=4 1092 B10R0.19 C=CCOC(C)C(=O)OCC 34a_200000210373_100011216346 [0,0,1,0,1,0|1,0,1]=4 1093 B10R0.19 C=CCO[C@@H](C)C(=O)OCC 7a_100000751109_100015514636 [0,0,1,0,1,0|1,0,1]=4 1094 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [0,0,1,0,1,0|2,0,0]=4 1095 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,0,1,0,1,0|1,0,0]=3 1096 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,0,1,0,1,0|2,0,0]=4 1097 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,0,1,0,1,0|1,0,0]=3 1098 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,0,1,0,1,0|1,1,0]=4 1099 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,0,1,0,1,0|1,1,0]=4 1100 B10R0.19 CCNC(=O)C(C)NCCO 2230a_100000736553_100000211926 [0,0,1,0,1,0|2,0,0]=4 1101 B10R0.19 CCNC(=O)C(C)NCCO 2230a_100016997473_100000230173 [0,0,1,0,1,0|2,0,0]=4 1102 B10R0.19 CCNC(=O)C(C)NCCO 34a_100000736553_100000211926 [0,0,1,0,1,0|2,0,0]=4 1103 B10R0.19 CCNC(=O)C(C)NCCO 34a_100016990907_100000230173 [0,0,1,0,1,0|2,0,0]=4 1104 B10R0.19 CCNC(=O)C(C)OCCBr 34a_100000211926_100000230173 [0,0,1,0,1,0|2,0,0]=4 1105 B10R0.19 CCNC(=O)C(C)OCCN 34a_100000210304_100000230173 [0,0,1,0,1,0|2,0,0]=4 1106 B10R0.19 CCNC(=O)C(C)SCCO 62a_100000211926_100000230173 [0,0,1,0,1,0|1,1,0]=4 1107 B10R0.19 CCNC(=O)C(C)SCCO 62a_100000230173_100000211926 [0,0,1,0,1,0|1,1,0]=4 1108 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [0,0,1,0,1,0|2,0,0]=4 1109 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [0,0,1,0,1,0|1,0,0]=3 1110 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [0,0,1,0,1,0|1,0,0]=3 1111 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [0,0,1,0,1,0|1,0,0]=3 1112 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [0,0,1,0,1,0|1,0,0]=3 1113 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [0,0,1,0,1,0|1,1,0]=4 1114 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [0,0,1,0,1,0|1,1,0]=4 1115 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [0,0,1,0,1,0|0,1,0]=3 1116 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [0,0,1,0,1,0|0,1,0]=3 1117 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [0,0,1,0,1,0|2,0,0]=4 1118 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [0,0,1,0,1,0|2,0,0]=4 1119 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [0,0,1,0,1,0|2,0,0]=4 1120 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [0,0,1,0,1,0|2,0,0]=4 1121 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [0,0,1,0,1,0|1,1,0]=4 1122 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [0,0,1,0,1,0|1,1,0]=4 1123 B10R0.19 CCOC(=O)[C@H](C)OCC#N 7a_100000751109_100011215382 [0,0,1,0,1,0|1,0,1]=4 1124 B10R0.19 CCOC(=O)[C@H](C)OCC=O 7a_100000751109_200015260668 [0,0,1,0,1,0|0,0,2]=4 1125 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [0,0,1,0,1,0|1,0,0]=3 1126 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [0,0,1,0,1,0|0,0,0]=2 1127 B10R0.19 CCSC(=O)[C@H](C)NCCO 2230a_100103168634_100000211926 [0,0,1,0,1,0|1,1,0]=4 1128 B10R0.129 CCCC(=O)C(C)(C)OCC 1458a_100011458965_100000210303 [0,0,1,0,1,0|2,0,0]=4 1129 B10R0.129 CCNC(=O)C(C)(C)OCC 11a_100015525214_100011458965 [0,0,1,0,1,0|2,0,0]=4 1130 B10R0.129 CCNC(=O)C(C)(C)OCC 240690a_100015525214_100011458965 [0,0,1,0,1,0|2,0,0]=4 1131 B10R0.129 CCNC(=O)C(C)(C)OCC 527a_100015525214_100011458965 [0,0,1,0,1,0|2,0,0]=4 1132 B10R0.129 CCNC(C)(C)C(=O)OCC 2230a_100015525214_100011216345 [0,0,1,0,1,0|2,0,0]=4 1133 B10R0.129 CCOC(=O)C(C)(C)OCC 34a_100000686869_100000210202 [0,0,1,0,1,0|1,0,0]=3 1134 B10R0.129 CCOC(=O)C(C)(C)OCC 7a_100000686869_100000210202 [0,0,1,0,1,0|1,0,0]=3 1135 B10R0.129 CCOC(=O)C(C)(C)OCF 34a_100000686869_100015361967 [0,0,1,0,1,0|2,0,0]=4 1136 B10R0.129 CCOC(=O)C(C)(C)OCF 7a_100000686869_100015361967 [0,0,1,0,1,0|2,0,0]=4 1137 B10R0.129 CCOC(=O)C(C)(C)SCC 62a_100000210202_100011216345 [0,0,1,0,1,0|1,1,0]=4 1138 B10R0.129 CCOC(=O)C(C)(C)SCC 62a_100011216345_100000210202 [0,0,1,0,1,0|1,1,0]=4 1139 B10R0.129 CCOC(=O)C(F)(F)OCC 34a_100121572206_100000210910 [0,0,1,0,1,0|2,0,0]=4 1140 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [1,0,0,0,1,0|2,0,0]=4 1141 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [1,0,0,0,1,0|2,0,0]=4 1142 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [1,0,0,0,1,0|2,0,0]=4 1143 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [1,0,0,0,1,0|2,0,0]=4 1144 B10R1.137 CC#CC(=O)CC1CCO1 1458a_100000763181_100000103362 [1,0,0,0,1,0|1,0,1]=4 1145 B10R1.137 CC=CC(=O)CC1CCO1 1458a_100000210699_100000103362 [1,0,0,0,1,0|1,0,1]=4 1146 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [1,0,0,0,1,0|2,0,0]=4 1147 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [1,0,0,0,1,0|2,0,0]=4 1148 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [1,0,0,0,1,0|1,0,0]=3 1149 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [1,0,0,0,1,0|2,0,0]=4 1150 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [1,0,0,0,1,0|2,0,0]=4 1151 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [1,0,0,0,1,0|2,0,0]=4 1152 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [1,0,0,0,1,0|2,0,0]=4 1153 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [1,0,0,0,1,0|2,0,0]=4 1154 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [1,0,0,0,1,0|2,0,0]=4 1155 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [1,0,0,0,1,0|2,0,0]=4 1156 B10R1.411 CC1(CCCO1)C(=O)CF 1458a_100000684770_100015361967 [1,0,0,0,1,0|2,0,0]=4 1157 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [1,0,0,0,1,0|2,0,0]=4 1158 B10R1.411 CCC(=O)C1(CCCO1)C 1458a_100000684770_100000210202 [1,0,0,0,1,0|1,0,0]=3 1159 B10R1.411 CNC(=O)C1(CCCO1)C 11a_106832991635_100000684770 [1,0,0,0,1,0|2,0,0]=4 1160 B10R1.411 CNC(=O)C1(CCCO1)C 1626a_100102657272_100000684770 [1,0,0,0,1,0|2,0,0]=4 1161 B10R1.411 CNC(=O)C1(CCCO1)C 240690a_100102657272_100000684770 [1,0,0,0,1,0|2,0,0]=4 1162 B10R1.411 CNC(=O)C1(CCCO1)C 527a_100102657272_100000684770 [1,0,0,0,1,0|2,0,0]=4 1163 B10R1.429 CC1(CCC1)CC(=O)CO 1458a_100000210174_100000726658 [1,0,0,0,1,0|2,0,0]=4 1164 B10R1.429 CCC(=O)CC1(CCC1)C 1458a_100000210414_100000726658 [1,0,0,0,1,0|1,0,0]=3 1165 B10R1.429 CCC(=O)CC1(COC1)C 1458a_100000210414_100000066812 [1,0,0,0,1,0|2,0,0]=4 1166 B10R1.429 CCC(=O)NC1(CCC1)C 11a_100000692455_100000210414 [1,0,0,0,1,0|2,0,0]=4 1167 B10R1.429 CCC(=O)NC1(CCC1)C 1626a_100000692455_100000210414 [1,0,0,0,1,0|2,0,0]=4 1168 B10R1.429 CCC(=O)NC1(CCC1)C 240690a_100000692455_100000210414 [1,0,0,0,1,0|2,0,0]=4 1169 B10R1.429 CCC(=O)NC1(CCC1)C 527a_100000692455_100000210414 [1,0,0,0,1,0|2,0,0]=4 1170 B10R1.401 CCCC(=O)C1(CCC1)C 1458a_100000684636_100000210303 [0,0,0,0,2,0|2,0,0]=4 1171 B10R1.401 CCNC(=O)C1(CCC1)C 11a_100015525214_100000684636 [0,0,0,0,2,0|2,0,0]=4 1172 B10R1.401 CCNC(=O)C1(CCC1)C 240690a_100015525214_100000684636 [0,0,0,0,2,0|2,0,0]=4 1173 B10R1.401 CCNC(=O)C1(CCC1)C 527a_100015525214_100000684636 [0,0,0,0,2,0|2,0,0]=4 1174 B10R1.181 CC#CC(=O)CC1(CO1)C 1458a_100000763181_100000760498 [0,0,0,0,2,0|1,0,1]=4 1175 B10R1.181 CC1(CC1)CC(=O)CCF 1458a_100000112800_100011217306 [0,0,0,0,2,0|2,0,0]=4 1176 B10R1.181 CC1(CC1)CC(=O)CCO 1458a_100000112800_100000211926 [0,0,0,0,2,0|2,0,0]=4 1177 B10R1.181 CC1(CO1)CC(=O)CCO 1458a_100011216618_100000760498 [0,0,0,0,2,0|2,0,0]=4 1178 B10R1.181 CC=CC(=O)CC1(CO1)C 1458a_100000210699_100000760498 [0,0,0,0,2,0|1,0,1]=4 1179 B10R1.181 CCCC(=O)CC1(CC1)C 1458a_100000112800_100000210303 [0,0,0,0,2,0|1,0,0]=3 1180 B10R1.181 CCCC(=O)CC1(CO1)C 1458a_100000211992_100000760498 [0,0,0,0,2,0|1,0,0]=3 1181 B10R1.181 CCCC(=O)NC1(CC1)C 11a_100000757604_100000211992 [0,0,0,0,2,0|2,0,0]=4 1182 B10R1.181 CCCC(=O)NC1(CC1)C 1626a_100000757604_100000211992 [0,0,0,0,2,0|2,0,0]=4 1183 B10R1.181 CCCC(=O)NC1(CC1)C 240690a_100000757604_100000211992 [0,0,0,0,2,0|2,0,0]=4 1184 B10R1.181 CCCC(=O)NC1(CC1)C 527a_100000757604_100000211992 [0,0,0,0,2,0|2,0,0]=4 1185 B10R1.181 CCNC(=O)CC1(CC1)C 11a_100015525214_100000112800 [0,0,0,0,2,0|1,0,0]=3 1186 B10R1.181 CCNC(=O)CC1(CC1)C 240690a_100015525214_100000112800 [0,0,0,0,2,0|1,0,0]=3 1187 B10R1.181 CCNC(=O)CC1(CC1)C 527a_100015525214_100000112800 [0,0,0,0,2,0|1,0,0]=3 1188 B10R1.181 CCNC(=O)NC1(CC1)C 2708a_100015525214_100000757604 [0,0,0,0,2,0|2,0,0]=4 1189 B10R1.181 CCNC(=O)NC1(CC1)C 273464a_100000757604_100015525214 [0,0,0,0,2,0|2,0,0]=4 1190 B10R1.181 CCNC(=O)NC1(CC1)C 273464a_100015525214_100000757604 [0,0,0,0,2,0|2,0,0]=4 1191 B10R1.181 CCNC(=O)NC1(CC1)C 512a_100000757604_100015525214 [0,0,0,0,2,0|2,0,0]=4 1192 B10R1.181 CNNC(=O)CC1(CC1)C 22a_100016993582_100000112800 [0,0,0,0,2,0|2,0,0]=4 1193 B10R1.181 COCC(=O)CC1(CO1)C 1458a_100000210968_100000760498 [0,0,0,0,2,0|2,0,0]=4 1194 B10R1.181 CSCC(=O)CC1(CO1)C 1458a_100000184570_100000760498 [0,0,0,0,2,0|2,0,0]=4 1195 B12R0.101 C#CCOC(C)CCC(=O)OCC 34a_100000210247_100000748298 [0,0,1,0,0,1|1,0,1]=4 1196 B12R0.101 C=CCOC(C)CCC(=O)OCC 34a_200000210373_100000748298 [0,0,1,0,0,1|1,0,1]=4 1197 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000211992 [0,0,1,0,0,1|2,0,0]=4 1198 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000211992 [0,0,1,0,0,1|2,0,0]=4 1199 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [0,0,1,0,0,1|2,0,0]=4 1200 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [0,0,1,0,0,1|2,0,0]=4 1201 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [0,0,1,0,0,1|2,0,0]=4 1202 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [0,0,1,0,0,1|2,0,0]=4 1203 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [0,0,1,0,0,1|2,0,0]=4 1204 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [0,0,1,0,0,1|1,0,0]=3 1205 B12R0.101 CCCOC(C)CNC(=O)CCC 11a_100015185124_100000211992 [0,0,1,0,0,1|2,0,0]=4 1206 B12R0.101 CCCOC(C)CNC(=O)CCC 1626a_100015185124_100000211992 [0,0,1,0,0,1|2,0,0]=4 1207 B12R0.101 CCCOC(C)CNC(=O)CCC 240690a_100015185124_100000211992 [0,0,1,0,0,1|2,0,0]=4 1208 B12R0.101 CCCOC(C)CNC(=O)CCC 527a_100015185124_100000211992 [0,0,1,0,0,1|2,0,0]=4 1209 B12R0.101 CCCOC(C)CNC(=O)NCC 2708a_100015185124_100015525214 [0,0,1,0,0,1|2,0,0]=4 1210 B12R0.101 CCCOC(C)CNC(=O)NCC 2708a_100015525214_100015185124 [0,0,1,0,0,1|2,0,0]=4 1211 B12R0.101 CCCOC(C)CNC(=O)NCC 273464a_100015185124_100015525214 [0,0,1,0,0,1|2,0,0]=4 1212 B12R0.101 CCCOC(C)CNC(=O)NCC 273464a_100015525214_100015185124 [0,0,1,0,0,1|2,0,0]=4 1213 B12R0.101 CCCOC(C)CNC(=O)NCC 512a_100015185124_100015525214 [0,0,1,0,0,1|2,0,0]=4 1214 B12R0.101 CCCOC(C)CNC(=O)NCC 512a_100015525214_100015185124 [0,0,1,0,0,1|2,0,0]=4 1215 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000210303_100000748298 [0,0,1,0,0,1|1,1,0]=4 1216 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000748298_100000210303 [0,0,1,0,0,1|1,1,0]=4 1217 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 2708a_100015525214_100160569302 [0,0,1,0,0,1|2,0,0]=4 1218 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 273464a_100015525214_100160569302 [0,0,1,0,0,1|2,0,0]=4 1219 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100015525214 [0,0,1,0,0,1|2,0,0]=4 1220 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 512a_100015525214_100160569302 [0,0,1,0,0,1|2,0,0]=4 1221 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 512a_100160569302_100015525214 [0,0,1,0,0,1|2,0,0]=4 1222 B12R0.101 CCOC(=O)CCC(C)NCCF 34a_100000724931_100000748298 [0,0,1,0,0,1|2,0,0]=4 1223 B12R0.101 CCOC(=O)CCC(C)NCCO 2230a_100016997473_100000748298 [0,0,1,0,0,1|1,0,0]=3 1224 B12R0.101 CCOC(=O)CCC(C)NCCO 34a_100016990907_100000748298 [0,0,1,0,0,1|1,0,0]=3 1225 B12R0.101 CCOC(=O)CCC(C)OCCBr 34a_100000211926_100000748298 [0,0,1,0,0,1|1,0,0]=3 1226 B12R0.101 CCOC(=O)CCC(C)OCCN 34a_100000210304_100000748298 [0,0,1,0,0,1|1,0,0]=3 1227 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100000748298_100011217306 [0,0,1,0,0,1|1,1,0]=4 1228 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100011217306_100000748298 [0,0,1,0,0,1|1,1,0]=4 1229 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000211926_100000748298 [0,0,1,0,0,1|0,1,0]=3 1230 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000748298_100000211926 [0,0,1,0,0,1|0,1,0]=3 1231 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000213112_100011206558 [0,0,1,0,0,1|2,0,0]=4 1232 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000745921_100000230001 [0,0,1,0,0,1|2,0,0]=4 1233 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000213112_100011206558 [0,0,1,0,0,1|2,0,0]=4 1234 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000745921_100011215043 [0,0,1,0,0,1|2,0,0]=4 1235 B12R0.101 CCOC(=O)COC(C)CCCCl 34a_200000718107_100000188475 [0,0,1,0,0,1|2,0,0]=4 1236 B12R0.101 CCOC(=O)COC(C)CCCCl 7a_200000718107_100000188475 [0,0,1,0,0,1|2,0,0]=4 1237 B12R0.445 CCCC(C)(C)OCC(=O)OCC 7a_100000748436_100000188475 [0,0,1,0,0,1|2,0,0]=4 1238 B12R0.446 CC=CC(=O)NCC(C)(OC)OC 11a_100000732740_100000210699 [0,0,1,0,0,1|1,0,1]=4 1239 B12R0.446 CC=CC(=O)NCC(C)(OC)OC 1626a_100000732740_100000210699 [0,0,1,0,0,1|1,0,1]=4 1240 B12R0.446 CCCC(=O)NCC(C)(OC)OC 11a_100000732740_100000211992 [0,0,1,0,0,1|1,0,0]=3 1241 B12R0.446 CCCC(=O)NCC(C)(OC)OC 1626a_100000732740_100000211992 [0,0,1,0,0,1|1,0,0]=3 1242 B12R0.446 CCCC(=O)NCC(C)(OC)OC 527a_100000732740_100000211992 [0,0,1,0,0,1|1,0,0]=3 1243 B12R0.446 CCNC(=O)NCC(C)(OC)OC 2708a_100000732740_100015525214 [0,0,1,0,0,1|1,0,0]=3 1244 B12R0.446 CCNC(=O)NCC(C)(OC)OC 2708a_100015525214_100000732740 [0,0,1,0,0,1|1,0,0]=3 1245 B12R0.446 CCNC(=O)NCC(C)(OC)OC 273464a_100015525214_100000732740 [0,0,1,0,0,1|1,0,0]=3 1246 B12R0.446 CCNC(=O)NCC(C)(OC)OC 512a_100000732740_100015525214 [0,0,1,0,0,1|1,0,0]=3 1247 B12R0.446 CCNC(=O)NCC(C)(OC)OC 512a_100015525214_100000732740 [0,0,1,0,0,1|1,0,0]=3 1248 B12R0.446 CCOC(=O)COC(C)(CC)CC 7a_100000755174_100000188475 [0,0,1,0,0,1|2,0,0]=4 1249 B12R0.446 CCOC(=O)CSC(C)(CC)CC 62a_100000188475_100009817345 [0,0,1,0,0,1|2,0,0]=4 1250 B12R0.446 CCOC(=O)CSC(C)(CC)CC 62a_100009817345_100000188475 [0,0,1,0,0,1|2,0,0]=4 1251 B12R0.446 CNNC(=O)NCC(C)(OC)OC 512a_100000732740_100016993582 [0,0,1,0,0,1|2,0,0]=4 1252 B12R0.446 CNNC(=O)NCC(C)(OC)OC 512a_100016993582_100000732740 [0,0,1,0,0,1|2,0,0]=4 1253 B12R0.446 COC(C)(CNC(=O)CSC)OC 11a_100000732740_100000184570 [0,0,1,0,0,1|2,0,0]=4 1254 B12R0.446 COC(C)(CNC(=O)CSC)OC 1626a_100000732740_100000184570 [0,0,1,0,0,1|2,0,0]=4 1255 B12R0.446 COC(C)(CNC(=O)CSC)OC 527a_100000732740_100000184570 [0,0,1,0,0,1|2,0,0]=4 1256 B12R0.446 COCC(=O)NCC(C)(OC)OC 11a_100000732740_100000210968 [0,0,1,0,0,1|2,0,0]=4 1257 B12R0.446 COCC(=O)NCC(C)(OC)OC 1626a_100000732740_100000210968 [0,0,1,0,0,1|2,0,0]=4 1258 B12R0.446 COCC(=O)NCC(C)(OC)OC 527a_100000732740_100000210968 [0,0,1,0,0,1|2,0,0]=4 1259 B12R1.51 CC#CC(=O)CCC1OCCO1 1458a_100000763181_100000740749 [1,0,0,0,0,1|1,0,1]=4 1260 B12R1.51 CC=CC(=O)CCC1OCCO1 1458a_100000210699_100000740749 [1,0,0,0,0,1|1,0,1]=4 1261 B12R1.51 CC=CC(=O)NCC1OCCO1 11a_100000036311_100000210699 [1,0,0,0,0,1|1,0,1]=4 1262 B12R1.51 CC=CC(=O)NCC1OCCO1 1626a_100000036311_100000210699 [1,0,0,0,0,1|1,0,1]=4 1263 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [1,0,0,0,0,1|2,0,0]=4 1264 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000082924_100000210303 [1,0,0,0,0,1|1,0,0]=3 1265 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000211992_100000740749 [1,0,0,0,0,1|1,0,0]=3 1266 B12R1.51 CCCC(=O)NCC1OCCO1 11a_100000036311_100000211992 [1,0,0,0,0,1|1,0,0]=3 1267 B12R1.51 CCCC(=O)NCC1OCCO1 1626a_100000036311_100000211992 [1,0,0,0,0,1|1,0,0]=3 1268 B12R1.51 CCCC(=O)NCC1OCCO1 527a_100000036311_100000211992 [1,0,0,0,0,1|1,0,0]=3 1269 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211992 [1,0,0,0,0,1|2,0,0]=4 1270 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211992 [1,0,0,0,0,1|2,0,0]=4 1271 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211992 [1,0,0,0,0,1|2,0,0]=4 1272 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211992 [1,0,0,0,0,1|2,0,0]=4 1273 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [1,0,0,0,0,1|2,0,0]=4 1274 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [1,0,0,0,0,1|2,0,0]=4 1275 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [1,0,0,0,0,1|2,0,0]=4 1276 B12R1.51 CCNC(=O)COC1CCCO1 34a_100000085407_100000183381 [1,0,0,0,0,1|2,0,0]=4 1277 B12R1.51 CCNC(=O)NCC1OCCO1 2708a_100000036311_100015525214 [1,0,0,0,0,1|1,0,0]=3 1278 B12R1.51 CCNC(=O)NCC1OCCO1 2708a_100015525214_100000036311 [1,0,0,0,0,1|1,0,0]=3 1279 B12R1.51 CCNC(=O)NCC1OCCO1 273464a_100000036311_100015525214 [1,0,0,0,0,1|1,0,0]=3 1280 B12R1.51 CCNC(=O)NCC1OCCO1 273464a_100015525214_100000036311 [1,0,0,0,0,1|1,0,0]=3 1281 B12R1.51 CCNC(=O)NCC1OCCO1 512a_100000036311_100015525214 [1,0,0,0,0,1|1,0,0]=3 1282 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100015525214_100020590478 [1,0,0,0,0,1|2,0,0]=4 1283 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_100015525214 [1,0,0,0,0,1|2,0,0]=4 1284 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100015525214_100020590478 [1,0,0,0,0,1|2,0,0]=4 1285 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100015525214 [1,0,0,0,0,1|2,0,0]=4 1286 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100015525214 [1,0,0,0,0,1|2,0,0]=4 1287 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [1,0,0,0,0,1|2,0,0]=4 1288 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [1,0,0,0,0,1|2,0,0]=4 1289 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [1,0,0,0,0,1|2,0,0]=4 1290 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [1,0,0,0,0,1|2,0,0]=4 1291 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [1,0,0,0,0,1|1,0,0]=3 1292 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [1,0,0,0,0,1|2,0,0]=4 1293 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [1,0,0,0,0,1|2,0,0]=4 1294 B12R1.51 CNNC(=O)CCC1OCCO1 22a_100016993582_100000082924 [1,0,0,0,0,1|2,0,0]=4 1295 B12R1.51 CNNC(=O)NCC1OCCO1 273464a_100000036311_100016993582 [1,0,0,0,0,1|2,0,0]=4 1296 B12R1.51 CNNC(=O)NCC1OCCO1 512a_100000036311_100016993582 [1,0,0,0,0,1|2,0,0]=4 1297 B12R1.51 COCC(=O)CCC1OCCO1 1458a_100000210968_100000740749 [1,0,0,0,0,1|2,0,0]=4 1298 B12R1.51 COCC(=O)NCC1OCCO1 11a_100000036311_100000210968 [1,0,0,0,0,1|2,0,0]=4 1299 B12R1.51 COCC(=O)NCC1OCCO1 1626a_100000036311_100000210968 [1,0,0,0,0,1|2,0,0]=4 1300 B12R1.51 COCC(=O)NCC1OCCO1 527a_100000036311_100000210968 [1,0,0,0,0,1|2,0,0]=4 1301 B12R1.51 CSCC(=O)CCC1OCCO1 1458a_100000184570_100000740749 [1,0,0,0,0,1|2,0,0]=4 1302 B12R1.51 CSCC(=O)NCC1OCCO1 11a_100000036311_100000184570 [1,0,0,0,0,1|2,0,0]=4 1303 B12R1.51 CSCC(=O)NCC1OCCO1 1626a_100000036311_100000184570 [1,0,0,0,0,1|2,0,0]=4 1304 B12R1.51 CSCC(=O)NCC1OCCO1 527a_100000036311_100000184570 [1,0,0,0,0,1|2,0,0]=4 1305 B12R1.51 O=C(CCF)CCC1OCCO1 1458a_100000082924_100011217306 [1,0,0,0,0,1|2,0,0]=4 1306 B12R1.51 O=C(CCO)CCC1OCCO1 1458a_100000082924_100000211926 [1,0,0,0,0,1|2,0,0]=4 1307 B12R1.51 O=C(CCO)CCC1OCCO1 1458a_100011216618_100000740749 [1,0,0,0,0,1|2,0,0]=4 1308 B12R1.1573 CCCC(=O)CNC1(CCC1)C 2230a_100000692455_100000747444 [0,0,0,0,1,1|2,0,0]=4 1309 B12R1.1573 CCCC(=O)COC1(CCC1)C 7a_100000759064_100000747444 [0,0,0,0,1,1|2,0,0]=4 1310 B12R1.1573 CCCC(=O)NCC1(CCC1)C 11a_100000706607_100000211992 [0,0,0,0,1,1|2,0,0]=4 1311 B12R1.1573 CCCC(=O)NCC1(CCC1)C 1626a_100000706607_100000211992 [0,0,0,0,1,1|2,0,0]=4 1312 B12R1.1573 CCCC(=O)NCC1(CCC1)C 240690a_100000706607_100000211992 [0,0,0,0,1,1|2,0,0]=4 1313 B12R1.1573 CCCC(=O)NCC1(CCC1)C 527a_100000706607_100000211992 [0,0,0,0,1,1|2,0,0]=4 1314 B12R1.1573 CCNC(=O)CNC1(CCC1)C 2230a_100000692455_100000183381 [0,0,0,0,1,1|2,0,0]=4 1315 B12R1.1573 CCNC(=O)CNC1(CCC1)C 34a_100000692455_100000183381 [0,0,0,0,1,1|2,0,0]=4 1316 B12R1.1573 CCNC(=O)COC1(CCC1)C 34a_100000759064_100000183381 [0,0,0,0,1,1|2,0,0]=4 1317 B12R1.1573 CCNC(=O)COC1(CCC1)C 7a_100000759064_100000183381 [0,0,0,0,1,1|2,0,0]=4 1318 B12R1.1573 CCNC(=O)NCC1(CCC1)C 2708a_100000706607_100015525214 [0,0,0,0,1,1|2,0,0]=4 1319 B12R1.1573 CCNC(=O)NCC1(CCC1)C 2708a_100015525214_100000706607 [0,0,0,0,1,1|2,0,0]=4 1320 B12R1.1573 CCNC(=O)NCC1(CCC1)C 273464a_100000706607_100015525214 [0,0,0,0,1,1|2,0,0]=4 1321 B12R1.1573 CCNC(=O)NCC1(CCC1)C 273464a_100015525214_100000706607 [0,0,0,0,1,1|2,0,0]=4 1322 B12R1.1573 CCNC(=O)NCC1(CCC1)C 512a_100000706607_100015525214 [0,0,0,0,1,1|2,0,0]=4 1323 B12R1.1573 CCNC(=O)NCC1(CCC1)C 512a_100015525214_100000706607 [0,0,0,0,1,1|2,0,0]=4 1324 B12R1.1573 CCOC(=O)CNC1(CCC1)C 2230a_100000692455_100000188475 [0,0,0,0,1,1|1,0,0]=3 1325 B12R1.1573 CCOC(=O)CNC1(CCC1)C 34a_100000692455_100000188475 [0,0,0,0,1,1|1,0,0]=3 1326 B12R1.1573 CCOC(=O)CNC1(COC1)C 2230a_100000732644_100000188475 [0,0,0,0,1,1|2,0,0]=4 1327 B12R1.1573 CCOC(=O)COC1(CCC1)C 34a_100000759064_100000188475 [0,0,0,0,1,1|1,0,0]=3 1328 B12R1.1573 CCOC(=O)COC1(CCC1)C 7a_100000759064_100000188475 [0,0,0,0,1,1|1,0,0]=3 1329 B12R1.1573 CCOC(=O)COC1(CSC1)C 7a_100016018533_100000188475 [0,0,0,0,1,1|2,0,0]=4 1330 B14R1.2617 C=COC(=O)CNCC1(OCCO1)C 2230a_100000691740_100000036128 [0,0,0,0,0,2|0,0,2]=4 1331 B14R1.2617 C=COC(=O)CSCC1(OCCO1)C 62a_100000036128_100009818610 [0,0,0,0,0,2|0,0,2]=4 1332 B14R1.2617 C=COC(=O)CSCC1(OCCO1)C 62a_100009818610_100000036128 [0,0,0,0,0,2|0,0,2]=4 1333 B14R1.2617 CC#CC(=O)CCCC1(OCCO1)C 1458a_100000763181_100000037737 [0,0,0,0,0,2|1,0,1]=4 1334 B14R1.2617 CC1(OCCO1)CCCC(=O)CCO 1458a_100011216618_100000037737 [0,0,0,0,0,2|2,0,0]=4 1335 B14R1.2617 CC1(OCCO1)CCNC(=O)CCO 240690a_100000073055_100011216618 [0,0,0,0,0,2|2,0,0]=4 1336 B14R1.2617 CC1(OCCO1)CNCC(=O)NCO 2230a_100000691740_100000185155 [0,0,0,0,0,2|2,0,0]=4 1337 B14R1.2617 CC1(OCCO1)CSCC(=O)NCO 62a_100000185155_100009818610 [0,0,0,0,0,2|2,0,0]=4 1338 B14R1.2617 CC1(OCCO1)CSCC(=O)NCO 62a_100009818610_100000185155 [0,0,0,0,0,2|2,0,0]=4 1339 B14R1.2617 CC=CC(=O)CCCC1(OCCO1)C 1458a_100000210699_100000037737 [0,0,0,0,0,2|1,0,1]=4 1340 B14R1.2617 CC=CC(=O)NCCC1(OCCO1)C 1626a_100000073055_100000210699 [0,0,0,0,0,2|1,0,1]=4 1341 B14R1.2617 CC=CC(=O)NCCC1(OCCO1)C 240690a_100000073055_100000210699 [0,0,0,0,0,2|1,0,1]=4 1342 B14R1.2617 CCCC(=O)CCCC1(OCCO1)C 1458a_100000211992_100000037737 [0,0,0,0,0,2|1,0,0]=3 1343 B14R1.2617 CCCC(=O)CNCC1(OCCO1)C 2230a_100000691740_100000747444 [0,0,0,0,0,2|1,0,0]=3 1344 B14R1.2617 CCCC(=O)CSCC1(OCCO1)C 62a_100000747444_100009818610 [0,0,0,0,0,2|1,0,0]=3 1345 B14R1.2617 CCCC(=O)CSCC1(OCCO1)C 62a_100009818610_100000747444 [0,0,0,0,0,2|1,0,0]=3 1346 B14R1.2617 CCCC(=O)NCCC1(OCCO1)C 1626a_100000073055_100000211992 [0,0,0,0,0,2|1,0,0]=3 1347 B14R1.2617 CCCC(=O)NCCC1(OCCO1)C 240690a_100000073055_100000211992 [0,0,0,0,0,2|1,0,0]=3 1348 B14R1.2617 CCCC(=O)NCCC1(OCCO1)C 527a_100000073055_100000211992 [0,0,0,0,0,2|1,0,0]=3 1349 B14R1.2617 CCNC(=O)CNCC1(OCCO1)C 2230a_100000691740_100000183381 [0,0,0,0,0,2|1,0,0]=3 1350 B14R1.2617 CCNC(=O)CSCC1(OCCO1)C 62a_100000183381_100009818610 [0,0,0,0,0,2|1,0,0]=3 1351 B14R1.2617 CCNC(=O)CSCC1(OCCO1)C 62a_100009818610_100000183381 [0,0,0,0,0,2|1,0,0]=3 1352 B14R1.2617 CCNC(=O)NCCC1(OCCO1)C 2708a_100000073055_100015525214 [0,0,0,0,0,2|1,0,0]=3 1353 B14R1.2617 CCNC(=O)NCCC1(OCCO1)C 2708a_100015525214_100000073055 [0,0,0,0,0,2|1,0,0]=3 1354 B14R1.2617 CCNC(=O)NCCC1(OCCO1)C 273464a_100000073055_100015525214 [0,0,0,0,0,2|1,0,0]=3 1355 B14R1.2617 CCNC(=O)NCCC1(OCCO1)C 273464a_100015525214_100000073055 [0,0,0,0,0,2|1,0,0]=3 1356 B14R1.2617 CCNC(=O)NCCC1(OCCO1)C 512a_100000073055_100015525214 [0,0,0,0,0,2|1,0,0]=3 1357 B14R1.2617 CCNC(=O)NCCC1(OCCO1)C 512a_100015525214_100000073055 [0,0,0,0,0,2|1,0,0]=3 1358 B14R1.2617 CCOC(=O)CCOC1(CCCC1)C 34a_100000751722_100000765890 [0,0,0,0,0,2|2,0,0]=4 1359 B14R1.2617 CCOC(=O)CCOC1(CCCC1)C 7a_100000751722_100011206558 [0,0,0,0,0,2|2,0,0]=4 1360 B14R1.2617 CCOC(=O)CNCC1(OCCO1)C 2230a_100000691740_100000188475 [0,0,0,0,0,2|0,0,0]=2 1361 B14R1.2617 CCOC(=O)COC[C@@]1(CCCN1)C 34a_100016195882_100000188475 [0,0,0,0,0,2|2,0,0]=4 1362 B14R1.2617 CCOC(=O)CSCC1(OCCO1)C 62a_100000188475_100009818610 [0,0,0,0,0,2|0,0,0]=2 1363 B14R1.2617 CCOC(=O)CSCC1(OCCO1)C 62a_100009818610_100000188475 [0,0,0,0,0,2|0,0,0]=2 1364 B14R1.2617 CNNC(=O)NCCC1(OCCO1)C 273464a_100000073055_100016993582 [0,0,0,0,0,2|2,0,0]=4 1365 B14R1.2617 CNNC(=O)NCCC1(OCCO1)C 512a_100000073055_100016993582 [0,0,0,0,0,2|2,0,0]=4 1366 B14R1.2617 CNNC(=O)NCCC1(OCCO1)C 512a_100016993582_100000073055 [0,0,0,0,0,2|2,0,0]=4 1367 B14R1.2617 COCC(=O)CCCC1(OCCO1)C 1458a_100000210968_100000037737 [0,0,0,0,0,2|2,0,0]=4 1368 B14R1.2617 COCC(=O)NCCC1(OCCO1)C 1626a_100000073055_100000210968 [0,0,0,0,0,2|2,0,0]=4 1369 B14R1.2617 COCC(=O)NCCC1(OCCO1)C 240690a_100000073055_100000210968 [0,0,0,0,0,2|2,0,0]=4 1370 B14R1.2617 COCC(=O)NCCC1(OCCO1)C 527a_100000073055_100000210968 [0,0,0,0,0,2|2,0,0]=4 1371 B14R1.2617 CSCC(=O)CCCC1(OCCO1)C 1458a_100000184570_100000037737 [0,0,0,0,0,2|2,0,0]=4 1372 B14R1.2617 CSCC(=O)NCCC1(OCCO1)C 1626a_100000073055_100000184570 [0,0,0,0,0,2|2,0,0]=4 1373 B14R1.2617 CSCC(=O)NCCC1(OCCO1)C 240690a_100000073055_100000184570 [0,0,0,0,0,2|2,0,0]=4 1374 B14R1.2617 CSCC(=O)NCCC1(OCCO1)C 527a_100000073055_100000184570 [0,0,0,0,0,2|2,0,0]=4 1375 B14R1.18883 CCOC(=O)CNC1(CCCCC1)C 2230a_100000741114_100000188475 [0,0,0,0,0,2|2,0,0]=4 1376 B14R1.18883 CCOC(=O)CNC1(CCCCC1)C 34a_100000741114_100000188475 [0,0,0,0,0,2|2,0,0]=4 1377 B14R1.18883 CCOC(=O)CNC1(CCOCC1)C 2230a_100000692449_100000188475 [0,0,0,0,0,2|2,0,0]=4 1378 B14R1.18883 CCOC(=O)CNC1(CCOCC1)C 34a_100000692449_100000188475 [0,0,0,0,0,2|2,0,0]=4 1379 B14R1.18883 CCOC(=O)COC1(CCCCC1)C 34a_100011215885_100000188475 [0,0,0,0,0,2|2,0,0]=4 1380 B14R1.18883 CCOC(=O)COC1(CCCCC1)C 7a_100011215885_100000188475 [0,0,0,0,0,2|2,0,0]=4 1381 B14R1.18883 CCOC(=O)COC1(CCOCC1)C 34a_100011827762_100000188475 [0,0,0,0,0,2|2,0,0]=4 1382 B14R1.18883 CCOC(=O)COC1(CCOCC1)C 7a_100011827762_100000188475 [0,0,0,0,0,2|2,0,0]=4 1383 B14R1.18883 CCOC(=O)COC1(CCSCC1)C 34a_200011004327_100000188475 [0,0,0,0,0,2|2,0,0]=4 1384 B14R1.18883 CCOC(=O)COC1(CCSCC1)C 7a_200011004327_100000188475 [0,0,0,0,0,2|2,0,0]=4