0 B7R0.5 C#CCC(=O)C(=C)C 1458a_100000185857_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.5 C=C(C)C(=O)CC#N 1458a_100000185857_100011214920 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.5 C=C(Cl)C(=O)NNC 22a_100016993582_100000039160 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.5 C=C(F)C(=O)NNC 22a_100016993582_100000036797 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,0,0,0,0,0|2,1,1]=4 22 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,0,0,0,0,0|2,1,1]=4 23 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,0,0,0,0,0|2,0,1]=3 41 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,0,0,0,0,0|2,0,2]=4 42 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,0,0,0,0,0|3,0,0]=3 44 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,0,0,0,0,0|1,0,2]=3 47 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,0,0,0,0,0|1,0,2]=3 48 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,0,0,0,0|2,0,1]=3 49 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,0,0,0,0|1,0,2]=3 56 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,0,0,0,0|1,0,2]=3 57 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,0,0,0,0|1,0,0]=1 58 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,0,0,0,0,0|2,0,0]=2 59 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,0,0,0,0|1,0,0]=1 60 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,0,0,0,0,0|2,0,1]=3 62 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,0,0,0,0,0|2,0,1]=3 65 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,0,0,0,0,0|2,0,1]=3 66 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,0,0,0,0,0|3,0,0]=3 71 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,0,0,0,0,0|1,0,2]=3 72 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,0,0,0,0,0|1,0,2]=3 73 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,0,0,0,0,0|2,0,1]=3 74 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,0,0,0,0|1,0,1]=2 80 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,0,0,0,0|1,0,1]=2 81 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,0,0,0,0,0|2,0,1]=3 82 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,0,0,0,0|1,0,1]=2 83 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,0,0,0,0,0|2,0,2]=4 84 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,0,0,0,0,0|2,0,1]=3 85 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,0,0,0,0,0|2,0,1]=3 86 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,0,0,0,0,0|2,0,1]=3 87 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,0,0,0,0,0|2,0,1]=3 88 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,0,0,0,0,0|2,0,1]=3 89 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,0,0,0,0,0|1,1,1]=3 90 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,0,0,0,0,0|1,1,1]=3 91 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,0,0,0,0,0|1,1,1]=3 92 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,0,0,0,0,0|2,1,1]=4 93 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,0,0,0,0,0|2,1,1]=4 94 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,0,0,0,0,0|1,1,1]=3 95 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,0,0,0,0,0|2,1,1]=4 96 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,0,0,0,0,0|2,1,1]=4 97 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,0,0,0,0,0|2,1,1]=4 98 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,0,0,0,0,0|2,1,1]=4 99 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,0,0,0,0,0|4,0,0]=4 100 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,0,0,0,0,0|4,0,0]=4 101 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,0,0,0,0,0|4,0,0]=4 102 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,0,0,0,0,0|2,0,0]=2 104 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,0,0,0,0,0|3,0,1]=4 107 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,0,0,0,0,0|4,0,0]=4 108 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,0,0,0,0,0|4,0,0]=4 109 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,0,0,0,0,0|3,0,0]=3 112 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,0,0,0,0,0|3,0,1]=4 114 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,0,0,0,0,0|2,0,2]=4 115 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,0,0,0,0,0|2,0,2]=4 116 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,0,0,0,0,0|3,0,0]=3 117 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,0,0,0,0,0|3,0,0]=3 118 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,0,0,0,0,0|2,0,0]=2 119 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,0,0,0,0,0|4,0,0]=4 122 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,0,0,0,0,0|4,0,0]=4 123 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,0,0,0,0,0|4,0,0]=4 124 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,0,0,0,0,0|4,0,0]=4 125 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,0,0,0,0,0|4,0,0]=4 126 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,0,0,0,0,0|2,0,0]=2 132 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,0,0,0,0,0|2,0,0]=2 133 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,0,0,0,0,0|3,0,1]=4 135 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,0,0,0,0,0|3,0,1]=4 136 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,0,0,0,0,0|4,0,0]=4 137 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,0,0,0,0,0|4,0,0]=4 138 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,0,0,0,0,0|4,0,0]=4 139 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,0,0,0,0,0|4,0,0]=4 140 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,0,0,0,0,0|4,0,0]=4 141 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,0,0,0,0,0|4,0,0]=4 142 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,0,0,0,0,0|3,0,1]=4 143 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,0,0,0,0,0|2,0,2]=4 145 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,0,0,0,0,0|2,0,2]=4 146 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,0,0,0,0,0|3,0,1]=4 147 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,0,0,0,0,0|3,0,1]=4 148 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,0,0,0,0,0|2,0,2]=4 149 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,0,0,0,0,0|2,0,2]=4 150 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,0,0,0,0,0|3,0,1]=4 151 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,0,0,0,0|1,0,2]=4 152 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,0,0,0,0|1,0,1]=3 153 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,0,0,0,0|1,0,1]=3 156 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,0,0,0,0|1,0,2]=4 158 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|1,0,2]=4 159 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|1,0,2]=4 160 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|2,0,1]=4 167 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|2,0,1]=4 176 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|1,0,1]=3 177 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|1,0,1]=3 178 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|2,0,1]=4 179 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|1,0,2]=4 180 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|2,0,0]=3 181 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 182 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|1,0,1]=3 185 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|1,0,1]=3 186 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|1,0,1]=3 187 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|1,0,2]=4 188 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|1,0,2]=4 189 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|2,0,0]=3 190 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 191 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 192 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 193 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 194 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|2,0,0]=3 195 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|1,0,2]=4 196 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|1,0,2]=4 197 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,0,0,0,0|3,0,0]=4 201 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,0,0,0,0|3,0,0]=4 202 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,0,0,0,0|3,0,0]=4 203 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,0,0,0,0|3,0,0]=4 204 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,0,0,0,0|3,0,0]=4 205 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,0,0,0,0|3,0,0]=4 207 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,0,0,0,0|3,0,0]=4 210 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,0,0,0,0|3,0,0]=4 211 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,0,0,0,0|3,0,0]=4 212 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,0,0,0,0|3,0,0]=4 213 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,0,0,0,0|3,0,0]=4 214 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,0,0,0,0|3,0,0]=4 215 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,0,0,0,0|3,0,0]=4 216 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,0,0,0,0|3,0,0]=4 217 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,0,0,0,0|3,0,0]=4 218 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,0,0,0,0|3,0,0]=4 219 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,0,0,0,0|3,0,0]=4 220 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,0,0,0,0|3,0,0]=4 221 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,0,0,0,0,0|3,0,0]=4 222 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,0,0,0,0,0|3,0,0]=4 223 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,0,0,0,0,0|3,0,0]=4 224 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,0,0,0,0|3,0,0]=4 225 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,0,0,0,0|3,0,0]=4 226 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,0,0,0,0|3,0,0]=4 227 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,0,0,0,0|3,0,0]=4 228 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,0,0,0,0|3,0,0]=4 229 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,0,0,0,0|1,0,1]=3 230 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,0,0,0,0|1,0,1]=3 231 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [1,0,0,0,0,0|2,0,1]=4 232 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,0,0,0,0,0|1,0,0]=2 234 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [1,0,0,0,0,0|2,0,0]=3 235 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [1,0,0,0,0,0|2,0,0]=3 236 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [1,0,0,0,0,0|2,0,0]=3 237 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [1,0,0,0,0,0|2,0,1]=4 240 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,0,0,0,0|1,0,1]=3 242 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,0,0,0,0|1,1,1]=4 243 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,0,0,0,0|1,1,1]=4 244 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,0,0,0,0|1,0,2]=4 245 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [1,0,0,0,0,0|2,0,1]=4 246 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [1,0,0,0,0,0|2,0,1]=4 247 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,0,0,0,0,0|1,0,1]=3 249 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,0,0,0,0,0|1,0,1]=3 250 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,0,0,0,0,0|1,0,1]=3 251 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [1,0,0,0,0,0|1,0,2]=4 252 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [1,0,0,0,0,0|2,0,0]=3 253 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [1,0,0,0,0,0|2,0,0]=3 254 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [1,0,0,0,0,0|2,0,0]=3 255 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [1,0,0,0,0,0|2,0,0]=3 256 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,0,0,0,0,0|0,0,2]=3 257 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,0,0,0,0,0|0,0,2]=3 258 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,0,0|1,0,1]=3 259 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,0,0|1,0,1]=3 260 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,0,0|1,0,1]=3 261 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,0,0|0,0,2]=3 262 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,0,0|0,0,2]=3 263 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,0,0,0,0|2,0,0]=3 264 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,0,0,0,0|2,0,0]=3 265 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,0,0,0,0|2,0,0]=3 266 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,0,0,0,0|2,0,0]=3 267 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [1,0,0,0,0,0|3,0,0]=4 268 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [1,0,0,0,0,0|3,0,0]=4 269 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,0,0,0,0,0|1,0,0]=2 270 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [1,0,0,0,0,0|2,0,0]=3 271 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,0,0,0,0,0|1,0,0]=2 272 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [1,0,0,0,0,0|2,0,1]=4 273 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [1,0,0,0,0,0|2,0,1]=4 279 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [1,0,0,0,0,0|2,0,1]=4 280 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [1,0,0,0,0,0|3,0,0]=4 281 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [1,0,0,0,0,0|1,0,2]=4 282 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [1,0,0,0,0,0|1,0,2]=4 283 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [1,0,0,0,0,0|1,0,2]=4 284 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,0,0,0,0|2,0,1]=4 285 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,0,0,0,0|2,0,1]=4 286 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,0,0,0,0|1,0,1]=3 287 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,0,0,0,0|1,0,1]=3 288 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,0,0,0,0|1,0,1]=3 290 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,0,0,0,0,0|2,0,1]=4 292 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,0,0,0,0|2,0,1]=4 294 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,0,0,0,0|2,0,1]=4 295 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,0,0,0,0|1,1,1]=4 296 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,0,0,0,0|1,1,1]=4 297 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,0,0,0,0|1,1,1]=4 298 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,0,0,0,0|1,1,1]=4 299 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [1,0,0,0,0,0|1,0,2]=4 300 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,0,0,0,0|2,0,1]=4 301 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,0,0,0,0|2,0,1]=4 302 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [1,0,0,0,0,0|1,0,2]=4 303 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,0,0,0,0|2,0,1]=4 304 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,0,0,0,0|1,0,2]=4 305 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,2]=4 306 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,0,0,0,0|2,0,1]=4 307 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|1,0,1]=3 308 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|1,0,1]=3 309 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,0,0,0,0,0|2,0,1]=4 310 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|1,1,1]=4 311 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|1,1,1]=4 312 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,0,0,0,0,0|1,0,2]=4 313 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,0,0,0,0,0|1,0,2]=4 314 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,0,0,0,0|1,0,2]=4 315 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,0,0,0,0|1,0,2]=4 316 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|1,0,2]=4 317 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,0,0,0,0,0|3,0,0]=4 318 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,0,0,0,0,0|3,0,0]=4 319 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,0,0,0,0,0|3,0,0]=4 320 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,0,0,0,0,0|3,0,0]=4 321 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|1,0,1]=3 329 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 330 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 331 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 332 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|3,0,0]=4 333 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|3,0,0]=4 334 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|3,0,0]=4 335 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|3,0,0]=4 336 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|3,0,0]=4 337 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,2]=4 338 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,2]=4 339 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,2]=4 340 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|1,0,1]=3 342 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|1,0,1]=3 343 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,0,0]=2 344 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,0,0]=2 345 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,1]=3 346 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,1]=3 347 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,1]=3 348 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 349 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 350 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 351 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|2,0,0]=3 352 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,1]=4 353 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|2,0,1]=4 355 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|2,0,0]=3 356 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|0,0,1]=2 357 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|0,0,1]=2 358 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|1,0,1]=3 359 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|0,0,1]=2 360 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|1,0,1]=3 361 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,0,0,0,0|1,0,2]=4 362 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,0,0,0,0|1,0,2]=4 363 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,0,0,0,0|1,0,2]=4 364 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,0,0,0,0|1,0,2]=4 365 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|0,0,3]=4 366 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,0,0,0,0|2,0,1]=4 367 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,0,0,0,0|1,0,2]=4 368 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,0,0,0,0|1,0,2]=4 369 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|0,0,3]=4 370 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,0,0,0,0,0|2,0,1]=4 371 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|0,1,1]=3 372 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|1,1,1]=4 373 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|1,1,1]=4 374 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|0,1,1]=3 375 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|1,1,1]=4 376 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|1,1,1]=4 377 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,0,0,0,0,0|3,0,0]=4 378 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,0,0,0,0,0|3,0,0]=4 379 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,0,0,0,0,0|3,0,0]=4 380 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,0,0,0,0,0|3,0,0]=4 381 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|2,0,1]=4 382 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|3,0,0]=4 383 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|2,0,1]=4 384 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,0,0,0,0|2,0,0]=3 385 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,0,0,0,0|2,0,0]=3 386 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,0,0,0,0,0|3,0,0]=4 387 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,0,0,0,0,0|3,0,0]=4 388 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|2,0,1]=4 389 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|2,0,1]=4 390 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|2,0,1]=4 391 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|2,0,1]=4 392 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|2,0,1]=4 393 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|3,0,0]=4 394 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,0,0,0,0,0|3,0,0]=4 395 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,0,0,0,0,0|3,0,0]=4 396 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|2,0,1]=4 398 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|2,0,1]=4 399 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|2,0,1]=4 400 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|2,0,1]=4 401 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|3,0,0]=4 402 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|3,0,0]=4 403 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,0,0,0,0,0|2,0,1]=4 404 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|2,0,1]=4 405 B8R0.2 C=C(Br)C(=O)N(C)CC 11a_100000225621_100009813364 [0,1,0,0,0,0|2,0,1]=4 406 B8R0.2 C=C(Br)C(=O)N(C)CC 1626a_100000225621_100009813364 [0,1,0,0,0,0|2,0,1]=4 407 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,1,0,0,0,0|2,0,0]=3 408 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,1,0,0,0,0|2,0,0]=3 409 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,1,0,0,0,0|2,0,0]=3 410 B8R0.2 C=C(Cl)C(=O)N(C)CC 11a_100000225621_100000039160 [0,1,0,0,0,0|2,0,1]=4 411 B8R0.2 C=C(Cl)C(=O)N(C)CC 1626a_100000225621_100000039160 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.2 C=C(F)C(=O)N(C)CC 11a_100000225621_100000036797 [0,1,0,0,0,0|2,0,1]=4 413 B8R0.2 C=C(F)C(=O)N(C)CC 1626a_100000225621_100000036797 [0,1,0,0,0,0|2,0,1]=4 414 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,1,0,0,0,0|2,0,1]=4 418 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,1,0,0,0,0|2,0,1]=4 419 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.2 CCC(C)C(=O)N(C)C 11a_100102631434_100011192722 [0,1,0,0,0,0|3,0,0]=4 421 B8R0.2 CCC(C)C(=O)N(C)C 1626a_100102631434_100011192722 [0,1,0,0,0,0|3,0,0]=4 422 B8R0.2 CCC(C)C(=O)N(C)C 240690a_100102631434_100011192722 [0,1,0,0,0,0|3,0,0]=4 423 B8R0.2 CCC(C)C(=O)N(C)C 527a_100102631434_100011192722 [0,1,0,0,0,0|3,0,0]=4 424 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,1,0,0,0,0|1,0,2]=4 425 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,1,0,0,0,0|1,0,2]=4 426 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 427 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 428 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 429 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,0,0,0,0|3,0,0]=4 430 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [0,1,0,0,0,0|3,0,0]=4 432 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,1,0,0,0,0|2,0,0]=3 433 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [0,1,0,0,0,0|2,0,1]=4 434 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [0,1,0,0,0,0|2,0,1]=4 435 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [0,1,0,0,0,0|2,0,1]=4 436 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [0,1,0,0,0,0|2,0,1]=4 437 B8R0.2 CCN(C)C(=O)C(C)F 11a_100000225621_100000062450 [0,1,0,0,0,0|2,0,1]=4 438 B8R0.2 CCN(C)C(=O)C(C)F 1626a_100000225621_100000062450 [0,1,0,0,0,0|2,0,1]=4 439 B8R0.2 CCN(C)C(=O)C(C)F 240690a_100000225621_100000062450 [0,1,0,0,0,0|2,0,1]=4 440 B8R0.2 CCN(C)C(=O)C(C)F 527a_100000225621_100000062450 [0,1,0,0,0,0|2,0,1]=4 441 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [0,1,0,0,0,0|1,0,2]=4 442 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [0,1,0,0,0,0|1,0,2]=4 443 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [0,1,0,0,0,0|1,0,2]=4 444 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,0,0,0,0|2,0,1]=4 445 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,0,0,0,0|2,0,1]=4 446 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,0,0,0,0|2,0,1]=4 447 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,0,0,0,0|2,0,1]=4 448 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,1,0,0,0,0|2,0,1]=4 449 B8R0.3 C#CCC(=O)C(=O)NC 1458a_100011218921_100000184674 [0,1,0,0,0,0|1,0,2]=4 450 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,1,0,0,0,0|2,0,0]=3 451 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,1,0,0,0,0|3,0,0]=4 452 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,1,0,0,0,0|3,0,0]=4 453 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,1,0,0,0,0|2,0,0]=3 454 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,1,0,0,0,0|3,0,0]=4 455 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,1,0,0,0,0|3,0,0]=4 456 B8R0.3 C=C(CO)C(=O)NNC 22a_100016993582_200000705526 [0,1,0,0,0,0|3,0,0]=4 457 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,1,0,0,0,0|3,0,0]=4 458 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,1,0,0,0,0|3,0,0]=4 459 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,1,0,0,0,0|3,0,0]=4 460 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,1,0,0,0,0|3,0,0]=4 461 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,1,0,0,0,0|3,0,0]=4 462 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,1,0,0,0,0|2,0,1]=4 463 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,1,0,0,0,0|2,0,1]=4 464 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,1,0,0,0,0|2,0,1]=4 465 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,1,0,0,0,0|2,0,1]=4 466 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,1,0,0,0,0|1,0,2]=4 467 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,0,0,0,0|2,0,0]=3 468 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,1,0,0,0,0|2,0,0]=3 469 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,1,0,0,0,0|2,0,0]=3 470 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,1,0,0,0,0|2,0,0]=3 471 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,1,0,0,0,0|2,0,0]=3 472 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,1,0,0,0,0|2,0,0]=3 473 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,1,0,0,0,0|3,0,0]=4 474 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,0,0,0,0|1,0,0]=2 475 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,1,0,0,0,0|2,0,1]=4 476 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,1,0,0,0,0|1,0,2]=4 480 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,1,0,0,0,0|1,1,1]=4 481 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,1,0,0,0,0|1,0,2]=4 482 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,1,0,0,0,0|1,0,2]=4 483 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,1,0,0,0,0|3,0,0]=4 484 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,1,0,0,0,0|3,0,0]=4 485 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,1,0,0,0,0|3,0,0]=4 486 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,1,0,0,0,0|3,0,0]=4 487 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|2,0,1]=4 488 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|2,0,1]=4 489 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,0,0,0,0|2,0,1]=4 491 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,0,0,0,0|2,0,1]=4 492 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 496 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 497 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 498 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,0,0,0,0|3,0,0]=4 499 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,0,0,0,0|3,0,0]=4 500 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,0,0,0,0|3,0,0]=4 501 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,1,0,0,0,0|3,0,0]=4 502 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,1,0,0,0,0|3,0,0]=4 503 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,0,0,0,0|1,0,2]=4 504 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,0,0,0,0|1,0,2]=4 505 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,0,0,0,0|1,0,2]=4 506 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,0,0,0,0|1,0,0]=2 507 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,1,0,0,0,0|1,0,0]=2 508 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,1,0,0,0,0|1,0,0]=2 509 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,1,0,0,0,0|1,0,0]=2 510 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,1,0,0,0,0|1,0,0]=2 511 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,1,0,0,0,0|1,0,0]=2 512 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,1,0,0,0,0|1,0,0]=2 513 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,0,0,0,0|1,0,0]=2 514 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,0,0,0,0|1,0,0]=2 515 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,0,0,0,0|1,0,0]=2 516 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,1,0,0,0,0|2,0,1]=4 517 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,1,0,0,0,0|2,0,1]=4 519 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,1,0,0,0,0|2,0,1]=4 520 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,1,0,0,0,0|2,0,1]=4 521 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,1,0,0,0,0|2,0,1]=4 525 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,1,0,0,0,0|2,0,1]=4 527 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,1,0,0,0,0|1,0,2]=4 530 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,1,0,0,0,0|1,0,2]=4 531 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,1,0,0,0,0|1,0,2]=4 532 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,1,0,0,0,0|1,0,2]=4 533 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,1,0,0,0,0|1,1,1]=4 534 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,1,0,0,0,0|1,1,1]=4 535 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,1,0,0,0,0|1,1,1]=4 536 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,1,0,0,0,0|1,1,1]=4 537 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,1,0,0,0,0|1,1,1]=4 538 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,1,0,0,0,0|1,1,1]=4 539 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,1,0,0,0,0|1,1,1]=4 540 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,1,0,0,0,0|1,0,2]=4 541 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,1,0,0,0,0|1,0,2]=4 542 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,1,0,0,0,0|3,0,0]=4 543 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,1,0,0,0,0|3,0,0]=4 544 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,0,0,0,0|2,0,1]=4 545 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,0,0,0,0|2,0,1]=4 547 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,1,0,0,0,0|2,0,1]=4 548 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,0,0,0,0|2,0,1]=4 549 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,0,0,0,0|2,0,1]=4 550 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,0,0,0,0|0,0,0]=1 551 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,0,0,0,0|0,0,0]=1 552 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,0,0,0,0|0,0,0]=1 553 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,1,0,0,0,0|1,0,1]=3 554 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,1,0,0,0,0|1,0,1]=3 555 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,1,0,0,0,0|1,0,1]=3 556 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,1,0,0,0,0|0,0,2]=3 557 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,1,0,0,0,0|0,1,1]=3 558 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,1,0,0,0,0|0,1,1]=3 559 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,1,0,0,0,0|0,1,1]=3 560 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,1,0,0,0,0|0,1,1]=3 561 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,1,0,0,0,0|1,0,1]=3 562 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,1,0,0,0,0|1,0,1]=3 563 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,1,0,0,0,0|1,0,1]=3 564 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,1,0,0,0,0|1,0,1]=3 565 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,1,0,0,0,0|1,0,1]=3 566 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,1,0,0,0,0|1,0,1]=3 567 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,1,0,0,0,0|1,0,1]=3 568 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,1,0,0,0,0|1,0,1]=3 569 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,1,0,0,0,0|0,0,2]=3 570 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,1,0,0,0,0|0,0,2]=3 571 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,0,0,0,0|1,0,1]=3 572 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,1,0,0,0,0|1,0,1]=3 573 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,0,0,0,0|1,0,1]=3 574 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,0,0,0,0|1,0,1]=3 575 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,0,0,0,0|1,0,1]=3 576 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,0,0,0,0|1,0,1]=3 577 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,0,0,0,0|1,0,1]=3 578 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,0,0,0,0|1,0,1]=3 580 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,0,0,0,0|1,0,1]=3 581 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,0,0,0,0|1,0,1]=3 582 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,1,0,0,0,0|1,1,1]=4 583 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,1,0,0,0,0|1,1,1]=4 584 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,0,0,0,0|1,1,1]=4 585 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,0,0,0,0|1,1,1]=4 586 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,0,0,0,0|1,1,1]=4 587 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,1,0,0,0,0|1,1,1]=4 588 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,0,0,0,0|1,1,1]=4 589 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,0,0,0,0|1,1,1]=4 590 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,0,0,0,0|1,1,1]=4 591 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,0,0,0,0|1,1,1]=4 592 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,0,0,0,0|1,1,1]=4 593 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,0,0,0,0|1,1,1]=4 594 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,0,0,0,0|1,1,1]=4 595 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,0,0,0,0|1,1,1]=4 596 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,1,0,0,0,0|1,1,1]=4 597 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,1,0,0,0,0|1,1,1]=4 598 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,1,0,0,0,0|3,0,0]=4 600 B8R0.3 CNC(=O)C(=O)CC#N 1458a_100011218921_100011214920 [0,1,0,0,0,0|2,0,1]=4 601 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,1,0,0,0,0|2,0,0]=3 602 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,1,0,0,0,0|2,0,0]=3 603 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,1,0,0,0,0|2,0,0]=3 604 B8R0.3 CNNC(=O)C(=O)NC 22a_100016993582_100011218921 [0,1,0,0,0,0|2,0,0]=3 605 B8R0.3 CO/N=C(\C)/C(=O)CF 1458a_100160996864_100015361967 [0,1,0,0,0,0|3,0,0]=4 606 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,1,0,0,0,0|2,0,0]=3 607 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,1,0,0,0,0|2,0,0]=3 608 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,1,0,0,0,0|2,0,0]=3 609 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,1,0,0,0,0|2,0,0]=3 610 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,1,0,0,0,0|2,0,1]=4 611 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,1,0,0,0,0|2,0,0]=3 612 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [0,1,0,0,0,0|2,0,1]=4 613 B8R0.8 C#CCNC(=O)C(=C)C 11a_100000212058_100000185857 [0,1,0,0,0,0|2,0,1]=4 614 B8R0.8 C#CCNC(=O)C(=C)C 1626a_100000212058_100000185857 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.8 C#CCNC(=O)C(=O)N 240690a_100000212058_100011215815 [0,1,0,0,0,0|2,0,1]=4 616 B8R0.8 C#CCOC(C)C(=O)C 34a_100000212229_100000184674 [0,1,0,0,0,0|1,0,2]=4 617 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,1,0,0,0,0|2,0,1]=4 618 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,1,0,0,0,0|2,0,1]=4 619 B8R0.8 C=C(Br)C(=O)NCCF 11a_100000724931_100009813364 [0,1,0,0,0,0|2,0,1]=4 620 B8R0.8 C=C(Br)C(=O)NCCF 1626a_100000724931_100009813364 [0,1,0,0,0,0|2,0,1]=4 621 B8R0.8 C=C(C)C(=NNCC)C 4a_100000756455_100011216138 [0,1,0,0,0,0|3,0,0]=4 622 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [0,1,0,0,0,0|2,0,1]=4 624 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,1,0,0,0,0|2,0,1]=4 625 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [0,1,0,0,0,0|2,0,1]=4 626 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,1,0,0,0,0|2,0,0]=3 627 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,1,0,0,0,0|2,0,0]=3 628 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,1,0,0,0,0|2,0,0]=3 629 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,1,0,0,0,0|2,0,0]=3 630 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,1,0,0,0,0|2,0,0]=3 631 B8R0.8 C=C(C)C(=O)NCC#N 1626a_100000734998_100000185857 [0,1,0,0,0,0|2,0,1]=4 632 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,1,0,0,0,0|2,0,0]=3 633 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,1,0,0,0,0|2,0,0]=3 634 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,1,0,0,0,0|2,0,0]=3 635 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,1,0,0,0,0|2,0,0]=3 636 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,1,0,0,0,0|2,0,0]=3 637 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.8 C=C(Cl)C(=O)NCCF 11a_100000724931_100000039160 [0,1,0,0,0,0|2,0,1]=4 640 B8R0.8 C=C(Cl)C(=O)NCCF 1626a_100000724931_100000039160 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.8 C=C(Cl)C(=O)NNCC 22a_100000756455_100000039160 [0,1,0,0,0,0|2,0,1]=4 642 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,1,0,0,0,0|2,0,1]=4 643 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,1,0,0,0,0|2,0,1]=4 644 B8R0.8 C=C(F)C(=O)NCCF 11a_100000724931_100000036797 [0,1,0,0,0,0|2,0,1]=4 645 B8R0.8 C=C(F)C(=O)NCCF 1626a_100000724931_100000036797 [0,1,0,0,0,0|2,0,1]=4 646 B8R0.8 C=C(F)C(=O)NNCC 22a_100000756455_100000036797 [0,1,0,0,0,0|2,0,1]=4 647 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.8 C=CCNC(=O)C(=C)C 1626a_100020586998_100000185857 [0,1,0,0,0,0|2,0,1]=4 649 B8R0.8 C=CCNC(=O)C(=O)N 240690a_100020586998_100011215815 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [0,1,0,0,0,0|1,0,2]=4 651 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,1,0,0,0,0|1,1,0]=3 652 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,1,0,0,0,0|1,1,0]=3 653 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,1,0,0,0,0|1,0,2]=4 657 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,1,0,0,0,0|1,0,1]=3 658 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,1,0,0,0,0|1,0,1]=3 659 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,1,0,0,0,0|1,1,1]=4 660 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,1,0,0,0,0|1,1,1]=4 661 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,1,0,0,0,0|1,1,1]=4 662 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,1,0,0,0,0|1,1,1]=4 663 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,1,0,0,0,0|3,0,0]=4 664 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,1,0,0,0,0|3,0,0]=4 665 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,1,0,0,0,0|2,0,1]=4 666 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,1,0,0,0,0|2,0,1]=4 667 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,1,0,0,0,0|2,0,1]=4 672 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,1,0,0,0,0|1,0,1]=3 674 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,1,0,0,0,0|1,0,1]=3 675 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,1,0,0,0,0|2,0,1]=4 677 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,1,0,0,0,0|2,0,1]=4 678 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,1,0,0,0,0|2,0,1]=4 679 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,1,0,0,0,0|2,0,1]=4 680 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,1,0,0,0,0|2,0,1]=4 681 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,1,0,0,0,0|2,0,1]=4 682 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,1,0,0,0,0|2,0,1]=4 683 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,1,0,0,0,0|2,0,1]=4 684 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,1,0,0,0,0|2,0,1]=4 685 B8R0.8 CC=NNC(=O)C(=O)N 4a_100000211141_200000210099 [0,1,0,0,0,0|2,0,1]=4 686 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,1,0,0,0,0|2,0,1]=4 687 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,0,0,0,0|2,0,0]=3 688 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,0,0,0,0|2,0,0]=3 689 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,1,0,0,0,0|2,0,1]=4 690 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,1,0,0,0,0|3,0,0]=4 691 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,1,0,0,0,0|3,0,0]=4 692 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,1,0,0,0,0|3,0,0]=4 693 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,0,0,0,0|2,0,1]=4 694 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,0,0,0,0|2,0,1]=4 695 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,0,0,0,0|2,0,1]=4 696 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,1,0,0,0,0|3,0,0]=4 697 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,1,0,0,0,0|3,0,0]=4 698 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,1,0,0,0,0|3,0,0]=4 699 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,1,0,0,0,0|3,0,0]=4 700 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,0,0,0,0|1,0,2]=4 701 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,0,0,0,0|1,0,2]=4 702 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,0,0,0,0|1,0,2]=4 706 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,0,0,0,0|1,0,2]=4 707 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,1,0,0,0,0|3,0,0]=4 710 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,1,0,0,0,0|3,0,0]=4 711 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,0,0,0,0|1,0,0]=2 712 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,0,0,0,0|2,0,0]=3 713 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,0,0,0,0|1,0,0]=2 714 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,1,0,0,0,0|2,0,1]=4 715 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,1,0,0,0,0|2,0,1]=4 716 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,1,0,0,0,0|2,0,1]=4 717 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,1,0,0,0,0|2,0,1]=4 718 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,1,0,0,0,0|2,0,1]=4 719 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,1,0,0,0,0|2,0,1]=4 720 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,1,0,0,0,0|2,0,1]=4 721 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,1,0,0,0,0|2,0,1]=4 722 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,1,0,0,0,0|3,0,0]=4 723 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,0,0,0,0|1,0,2]=4 724 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,0,0,0,0|1,0,2]=4 725 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,0,0,0,0|1,0,2]=4 726 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,1,0,0,0,0|1,0,1]=3 727 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,1,0,0,0,0|2,0,1]=4 728 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,1,0,0,0,0|2,0,1]=4 730 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,1,0,0,0,0|2,0,1]=4 731 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,1,0,0,0,0|1,1,1]=4 734 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,1,0,0,0,0|1,1,1]=4 735 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,1,0,0,0,0|2,0,1]=4 736 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,1,0,0,0,0|3,0,0]=4 737 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,1,0,0,0,0|3,0,0]=4 738 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,1,0,0,0,0|2,0,0]=3 739 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,1,0,0,0,0|1,0,2]=4 742 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,1,0,0,0,0|1,0,2]=4 743 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,0,0,0,0|0,0,0]=1 744 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,1,0,0,0,0|1,0,1]=3 745 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,1,0,0,0,0|1,0,1]=3 746 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 747 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 748 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 749 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,1,0,0,0,0|2,0,0]=3 750 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 751 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,1,0,0,0,0|1,0,1]=3 752 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,1,0,0,0,0|1,0,1]=3 753 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,0,0,0,0|0,1,0]=2 755 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,0,0,0,0|0,1,0]=2 756 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,1,0,0,0,0|1,1,1]=4 757 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,1,0,0,0,0|1,1,1]=4 758 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,1,0,0,0,0|1,1,1]=4 759 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,1,0,0,0,0|2,1,0]=4 760 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,1,0,0,0,0|2,1,0]=4 761 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,1,0,0,0,0|2,1,0]=4 762 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,1,0,0,0,0|2,1,0]=4 763 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,1,0,0,0,0|2,1,0]=4 764 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,1,0,0,0,0|2,1,0]=4 765 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,1,0,0,0,0|3,0,0]=4 766 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,1,0,0,0,0|3,0,0]=4 767 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,1,0,0,0,0|3,0,0]=4 768 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,1,0,0,0,0|3,0,0]=4 769 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,1,0,0,0,0|3,0,0]=4 770 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,1,0,0,0,0|3,0,0]=4 771 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,1,0,0,0,0|3,0,0]=4 772 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,1,0,0,0,0|2,0,1]=4 773 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,1,0,0,0,0|3,0,0]=4 776 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,1,0,0,0,0|3,0,0]=4 777 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,1,0,0,0,0|3,0,0]=4 778 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,1,0,0,0,0|3,0,0]=4 779 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,1,0,0,0,0|3,0,0]=4 780 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,1,0,0,0,0|1,0,2]=4 781 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,1,0,0,0,0|1,0,2]=4 782 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,1,0,0,0,0|3,0,0]=4 783 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,1,0,0,0,0|3,0,0]=4 784 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,1,0,0,0,0|3,0,0]=4 785 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,1,0,0,0,0|3,0,0]=4 786 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,1,0,0,0,0|1,1,1]=4 787 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,1,0,0,0,0|1,1,1]=4 788 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,1,0,0,0,0|2,0,1]=4 790 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,1,0,0,0,0|3,0,0]=4 792 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,1,0,0,0,0|3,0,0]=4 793 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,1,0,0,0,0|3,0,0]=4 794 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,1,0,0,0,0|3,0,0]=4 795 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,1,0,0,0,0|3,0,0]=4 796 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,1,0,0,0,0|3,0,0]=4 797 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,1,0,0,0,0|1,0,2]=4 798 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,1,0,0,0,0|1,0,2]=4 799 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,1,0,0,0,0|1,0,2]=4 800 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,1,0,0,0,0|1,0,2]=4 801 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,1,0,0,0,0|3,0,0]=4 802 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,1,0,0,0,0|3,0,0]=4 803 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,1,0,0,0,0|3,0,0]=4 804 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,1,0,0,0,0|3,0,0]=4 805 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,1,0,0,0,0|1,0,1]=3 806 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,1,0,0,0,0|1,0,1]=3 807 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,1,0,0,0,0|1,0,1]=3 808 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,1,0,0,0,0|2,0,1]=4 809 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,1,0,0,0,0|1,1,1]=4 810 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,1,0,0,0,0|1,1,1]=4 811 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,1,0,0,0,0|1,0,2]=4 812 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,0,0,0,0|1,0,2]=4 813 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,1,0,0,0,0|1,0,2]=4 814 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,1,0,0,0,0|1,0,2]=4 815 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,1,0,0,0,0|2,0,1]=4 818 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,1,0,0,0,0|1,0,2]=4 820 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,0,0,0,0|1,0,2]=4 821 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,1,0,0,0,0|1,0,2]=4 822 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,1,0,0,0,0|1,0,2]=4 823 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,1,0,0,0,0|1,0,2]=4 824 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,1,0,0,0,0|2,0,1]=4 825 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,1,0,0,0,0|2,0,1]=4 826 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,1,0,0,0,0|2,0,0]=3 827 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,1,0,0,0,0|2,0,0]=3 828 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,1,0,0,0,0|2,0,1]=4 829 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,1,0,0,0,0|2,0,1]=4 830 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,1,0,0,0,0|2,0,1]=4 831 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,1,0,0,0,0|2,0,1]=4 832 B8R0.12 CC(=O)C(C)(C)OCF 34a_100000747739_100015361967 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.12 CC(=O)C(C)(C)OCF 7a_100000747739_100015361967 [0,1,0,0,0,0|2,0,1]=4 834 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,1,0,0,0,0|2,0,1]=4 835 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,1,0,0,0,0|1,0,1]=3 837 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,1,0,0,0,0|1,0,1]=3 838 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,1,0,0,0,0|1,0,1]=3 839 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,1,0,0,0,0|2,0,1]=4 842 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,1,0,0,0,0|1,0,1]=3 843 B8R0.12 CCOC(F)(F)C(=O)[O-] 34a_100121572206_100020612412 [0,1,0,0,0,0|2,0,1]=4 844 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,1,0,0,0,0|1,1,1]=4 845 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,1,0,0,0,0|1,1,1]=4 846 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [0,1,0,0,0,0|2,0,1]=4 847 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [0,1,0,0,0,0|2,0,1]=4 848 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,1,0,0,0,0|1,0,2]=4 849 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [0,1,0,0,0,0|2,0,1]=4 850 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [0,1,0,0,0,0|2,0,1]=4 851 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [0,1,0,0,0,0|2,0,1]=4 852 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [0,1,0,0,0,0|2,0,1]=4 853 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [0,1,0,0,0,0|2,0,1]=4 854 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [0,1,0,0,0,0|2,0,1]=4 855 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [0,1,0,0,0,0|1,0,2]=4 856 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [0,1,0,0,0,0|2,0,1]=4 857 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [0,1,0,0,0,0|2,0,1]=4 858 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [0,1,0,0,0,0|2,0,1]=4 859 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,1,0,0,0,0|2,0,1]=4 860 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,1,0,0,0,0|2,0,1]=4 861 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,1,0,0,0,0|2,0,1]=4 862 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,1,0,0,0,0|3,0,0]=4 863 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,1,0,0,0,0|3,0,0]=4 864 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,1,0,0,0,0|3,0,0]=4 865 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,1,0,0,0,0|3,0,0]=4 866 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,1,0,0,0,0|2,0,1]=4 867 B8R0.23 C=C(Br)C(=O)NC(C)C 11a_100138425928_100009813364 [0,1,0,0,0,0|2,0,1]=4 868 B8R0.23 C=C(Br)C(=O)NC(C)C 1626a_100138425928_100009813364 [0,1,0,0,0,0|2,0,1]=4 869 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,0,0,0,0|2,0,0]=3 870 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,1,0,0,0,0|2,0,0]=3 871 B8R0.23 C=C(C)C(=O)CC(F)F 1458a_100000185857_100011934356 [0,1,0,0,0,0|3,0,0]=4 872 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,1,0,0,0,0|2,0,0]=3 873 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,1,0,0,0,0|2,0,0]=3 874 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [0,1,0,0,0,0|2,0,1]=4 875 B8R0.23 C=C(Cl)C(=O)NC(C)C 11a_100138425928_100000039160 [0,1,0,0,0,0|2,0,1]=4 876 B8R0.23 C=C(Cl)C(=O)NC(C)C 1626a_100138425928_100000039160 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.23 C=C(F)C(=O)NC(C)C 11a_100138425928_100000036797 [0,1,0,0,0,0|2,0,1]=4 878 B8R0.23 C=C(F)C(=O)NC(C)C 1626a_100138425928_100000036797 [0,1,0,0,0,0|2,0,1]=4 879 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,1,0,0,0,0|2,0,0]=3 880 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,0,0,0,0|1,0,0]=2 881 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,0,0|2,0,1]=4 882 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,0,0,0,0|2,0,1]=4 883 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,0,0|1,0,1]=3 884 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,0,0|1,1,1]=4 885 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,0,0|1,1,1]=4 886 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,0,0|1,0,1]=3 887 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,1,0,0,0,0|3,0,0]=4 888 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,1,0,0,0,0|3,0,0]=4 889 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,1,0,0,0,0|3,0,0]=4 890 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,1,0,0,0,0|3,0,0]=4 891 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,1,0,0,0,0|3,0,0]=4 892 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,1,0,0,0,0|3,0,0]=4 893 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,0,0,0,0|1,0,2]=4 894 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,0,0,0,0|1,0,2]=4 895 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,0,0,0,0|1,0,2]=4 896 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,0,0|1,0,2]=4 897 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,1,0,0,0,0|2,0,1]=4 898 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,1,0,0,0,0|2,0,1]=4 899 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,1,0,0,0,0|2,0,1]=4 900 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,1,0,0,0,0|2,0,1]=4 901 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 902 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 903 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 904 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 905 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,1,0,0,0,0|1,0,2]=4 906 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,1,0,0,0,0|1,0,2]=4 907 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,0,0|1,0,2]=4 908 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,1,0,0,0,0|2,0,0]=3 909 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,0,0,0,0|1,0,0]=2 910 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,1,0,0,0,0|2,0,1]=4 911 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,1,0,0,0,0|2,0,1]=4 912 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,1,0,0,0,0|2,0,1]=4 913 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,1,0,0,0,0|2,0,1]=4 914 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,1,0,0,0,0|2,0,1]=4 915 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,1,0,0,0,0|2,0,1]=4 916 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,1,0,0,0,0|2,0,1]=4 917 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,1,0,0,0,0|2,0,1]=4 918 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,1,0,0,0,0|3,0,0]=4 919 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,1,0,0,0,0|1,0,2]=4 920 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,1,0,0,0,0|1,0,2]=4 921 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,1,0,0,0,0|1,0,2]=4 922 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,0,0,0,0|2,0,1]=4 923 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,1,0,0,0,0|2,0,1]=4 924 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,1,0,0,0,0|2,0,1]=4 925 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,0,0,0,0|2,0,1]=4 926 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,0,0,0,0|2,0,1]=4 927 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,0,0,0,0|2,0,1]=4 928 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,1,0,0,0,0|2,0,1]=4 929 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,1,0,0,0,0|2,0,1]=4 930 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,1,0,0,0,0|1,0,2]=4 931 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,1,0,0,0,0|1,0,2]=4 932 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,1,0,0,0,0|3,0,0]=4 933 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,1,0,0|2,0,0]=3 934 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,1,0,0|3,0,0]=4 935 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,1,0,0|3,0,0]=4 936 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,1,0,0|2,0,1]=4 937 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,1,0,0|2,0,1]=4 938 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,1,0,0|1,1,1]=4 939 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,1,0,0|3,0,0]=4 940 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,1,0,0|3,0,0]=4 941 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,1,0,0|1,0,1]=3 942 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,1,0,0|2,0,0]=3 943 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,1,0,0|3,0,0]=4 944 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,1,0,0|3,0,0]=4 945 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,1,0,0|2,0,1]=4 946 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,1,0,0|1,1,1]=4 947 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,1,0,0|1,0,1]=3 948 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,0,1,0,0|1,0,1]=3 949 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,0,1,0,0|1,1,1]=4 950 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,0,1,0,0|1,1,1]=4 951 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,0,0|2,0,1]=4 952 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,0,1,0,0|3,0,0]=4 953 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,0,1,0,0|3,0,0]=4 954 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,0,1,0,0|3,0,0]=4 955 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,0,0|2,0,1]=4 956 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,0,0,1,0,0|2,0,1]=4 957 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,0,0,1,0,0|1,0,2]=4 958 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,0,0,1,0,0|2,0,1]=4 959 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,0,0,1,0,0|2,0,1]=4 960 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,0,0,1,0,0|2,0,1]=4 961 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,0,0,1,0,0|1,0,2]=4 962 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,0,0,1,0,0|1,0,2]=4 963 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,0,0,1,0,0|1,0,2]=4 964 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,0,1,0,0|2,0,1]=4 965 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,0,1,0,0|2,0,1]=4 966 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,0,0,1,0,0|3,0,0]=4 967 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,0,0,1,0,0|3,0,0]=4 968 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,0,0,1,0,0|3,0,0]=4 969 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,0,0,1,0,0|3,0,0]=4 970 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [0,0,0,1,0,0|2,0,1]=4 971 B8R1.54 CN(C)C(=O)C1CC1 11a_100102631434_100000210395 [0,0,0,1,0,0|3,0,0]=4 972 B8R1.54 CN(C)C(=O)C1CC1 1626a_100102631434_100000210395 [0,0,0,1,0,0|3,0,0]=4 973 B8R1.54 CN(C)C(=O)C1CC1 240690a_100102631434_100000210395 [0,0,0,1,0,0|3,0,0]=4 974 B8R1.54 CN(C)C(=O)C1CC1 527a_100102631434_100000210395 [0,0,0,1,0,0|3,0,0]=4 975 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,0,0,1,0,0|2,0,1]=4 976 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,0,0,1,0,0|1,0,2]=4 977 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,0,0,1,0,0|2,0,1]=4 978 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,0,0,1,0,0|1,0,2]=4 979 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,0,0,0,0,1|2,0,1]=4 980 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,0,0,0,0,1|2,0,1]=4 981 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,0,0,0,0,1|2,0,0]=3 982 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,0,0,0,0,1|3,0,0]=4 983 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,0,0,0,0,1|3,0,0]=4 984 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,0,0,0,0,1|3,0,0]=4 985 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,0,0,0,1|2,0,0]=3 986 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,0,0,0,1|2,0,0]=3 987 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,0,0,0,0,1|2,0,1]=4 988 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,0,0,0,0,1|0,0,2]=3 989 B8R0.5 CC#CC(=O)CC(=O)N 1458a_100000763181_100000187820 [0,0,0,0,0,1|2,0,1]=4 990 B8R0.5 CC#CC(=O)CC(=O)[O-] 1458a_100000763181_100020667443 [0,0,0,0,0,1|2,0,1]=4 991 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,0,0,0,0,1|3,0,0]=4 992 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,0,0,0,0,1|3,0,0]=4 993 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,0,0,0,0,1|3,0,0]=4 994 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,0,0,0,0,1|3,0,0]=4 995 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,0,0,0,0,1|3,0,0]=4 996 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,0,0,0,0,1|3,0,0]=4 997 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,0,0,0,0,1|2,0,0]=3 998 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,0,0,0,0,1|2,0,0]=3 999 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,0,0,0,0,1|2,0,1]=4 1000 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [0,0,0,0,0,1|2,0,1]=4 1001 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,0,0,0,0,1|2,0,0]=3 1002 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,0,0,0,0,1|2,0,0]=3 1003 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,0,0,0,0,1|2,0,0]=3 1004 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,0,0,0,0,1|2,0,0]=3 1005 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,0,0,0,0,1|2,0,0]=3 1006 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,0,0,0,0,1|3,0,0]=4 1007 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,0,1|1,0,0]=2 1008 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,0,0,0,0,1|2,0,0]=3 1009 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,0,0,0,0,1|2,0,0]=3 1010 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,0,0,0,0,1|2,0,0]=3 1011 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,0,0,0,0,1|2,0,1]=4 1012 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,0,0,0,0,1|2,0,1]=4 1013 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,0,0,0,0,1|1,0,2]=4 1014 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,0,0,0,0,1|3,0,0]=4 1015 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,0,0,0,0,1|3,0,0]=4 1016 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,0,0,0,0,1|3,0,0]=4 1017 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,0,0,0,0,1|1,0,2]=4 1018 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,0,0,0,0,1|3,0,0]=4 1019 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,0,0,0,0,1|3,0,0]=4 1020 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,0,0,0,0,1|2,0,1]=4 1021 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,0,0,0,0,1|2,0,1]=4 1022 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,0,0,0,0,1|2,0,1]=4 1023 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,0,0,0,0,1|2,0,1]=4 1024 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,0,0,0,0,1|2,0,1]=4 1025 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,0,0,0,0,1|2,0,1]=4 1026 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,0,0,0,0,1|2,0,1]=4 1027 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,0,0,0,0,1|2,0,1]=4 1028 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,0,0,0,0,1|2,0,1]=4 1029 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,0,0,0,0,1|2,0,1]=4 1030 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,0,0,0,0,1|2,0,1]=4 1031 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,0,0,0,0,1|2,0,0]=3 1032 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,0,0,0,0,1|2,0,0]=3 1033 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,0,0,0,0,1|2,0,0]=3 1034 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,0,0,0,0,1|2,0,0]=3 1035 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,0,0,0,0,1|2,0,0]=3 1036 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,0,0,0,0,1|2,0,0]=3 1037 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,0,0,0,0,1|2,0,0]=3 1038 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [0,0,0,0,0,1|3,0,0]=4 1039 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,0,0,0,0,1|1,0,0]=2 1040 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,0,0,0,0,1|2,0,0]=3 1041 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,0,0,0,0,1|2,0,0]=3 1042 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,0,0,0,0,1|2,0,1]=4 1043 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,0,0,0,0,1|2,0,1]=4 1044 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,0,0,0,0,1|2,0,1]=4 1045 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,0,0,0,0,1|3,0,0]=4 1046 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,0,0,0,0,1|3,0,0]=4 1047 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,0,0,0,0,1|3,0,0]=4 1048 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,0,0,0,0,1|3,0,0]=4 1049 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,0,0,0,0,1|3,0,0]=4 1050 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,0,0,0,0,1|3,0,0]=4 1051 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,0,0,0,0,1|3,0,0]=4 1052 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,0,0,0,0,1|3,0,0]=4 1053 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,0,0,0,0,1|3,0,0]=4 1054 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,0,0,0,0,1|1,0,2]=4 1055 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,0,0,0,0,1|3,0,0]=4 1056 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,0,0,0,0,1|3,0,0]=4 1057 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,0,0,0,0,1|3,0,0]=4 1058 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,0,0,0,0,1|2,0,1]=4 1059 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,0,0,0,0,1|2,0,1]=4 1060 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,0,0,0,0,1|2,0,1]=4 1061 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,0,0,0,0,1|2,0,1]=4 1062 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,0,0,0,0,1|2,0,1]=4 1063 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,0,0,0,0,1|0,0,0]=1 1064 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,0,0,0,0,1|0,0,0]=1 1065 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,0,0,0,0,1|0,0,0]=1 1066 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,0,0,0,0,1|2,0,0]=3 1067 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,0,0,0,0,1|2,0,0]=3 1068 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,0,0,0,0,1|2,0,0]=3 1069 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,0,0,0,0,1|2,0,0]=3 1070 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,0,0,0,0,1|2,0,1]=4 1071 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,0,0,0,0,1|1,1,1]=4 1072 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,0,0,0,0,1|1,1,1]=4 1073 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,0,0,0,0,1|1,1,1]=4 1074 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,0,0,0,0,1|1,1,1]=4 1075 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,0,0,0,0,1|2,0,0]=3 1076 B8R0.5 CNCC(=O)NC(=O)N 2230a_106832991635_100000182717 [0,0,0,0,0,1|3,0,0]=4 1077 B8R0.5 CNCC(=O)NC(=O)N 7a_106832991635_100000182717 [0,0,0,0,0,1|3,0,0]=4 1078 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,0,0,0,0,1|3,0,0]=4 1079 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [0,0,0,0,0,1|3,0,0]=4 1080 B8R0.5 CNNC(=O)CC(=O)N 22a_100016993582_100134613110 [0,0,0,0,0,1|3,0,0]=4 1081 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,0,0,0,0,1|3,0,0]=4 1082 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,0,0,0,0,1|3,0,0]=4 1083 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,0,0,0,0,1|3,0,0]=4 1084 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,0,0,0,0,1|3,0,0]=4 1085 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,0,0,0,0,1|2,0,0]=3 1086 B8R0.5 CSCC(=O)NC(=O)N 62a_200000210301_100000182717 [0,0,0,0,0,1|3,0,0]=4 1087 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,0,0,0,0,1|3,0,0]=4 1088 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,0,0,0,0,1|3,0,0]=4 1089 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,0,0,0,0,1|3,0,0]=4 1090 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,0,0,0,0,1|3,0,0]=4 1091 B8R0.5 [13CH3]SCC(=O)NC(=O)N 62a_200025704644_100000182717 [0,0,0,0,0,1|3,0,0]=4 1092 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [2,0,0,0,0,0|1,0,1]=4 1093 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [2,0,0,0,0,0|1,0,1]=4 1094 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [2,0,0,0,0,0|1,0,1]=4 1095 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|0,0,2]=4 1096 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|0,0,2]=4 1097 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [2,0,0,0,0,0|1,0,1]=4 1098 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [2,0,0,0,0,0|1,0,1]=4 1099 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [2,0,0,0,0,0|1,0,1]=4 1100 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,1]=4 1101 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,1]=4 1102 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,1]=4 1103 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|0,0,1]=3 1104 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|0,0,1]=3 1105 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|0,0,1]=3 1106 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,1]=3 1107 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,1]=3 1108 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,1]=3 1109 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1110 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1111 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 1112 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,1]=4 1113 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,1]=4 1114 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 1115 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|0,0,1]=3 1116 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|0,0,1]=3 1117 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|1,0,1]=4 1118 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|0,0,1]=3 1119 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 1120 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|0,1,1]=4 1121 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|0,1,1]=4 1122 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [2,0,0,0,0,0|1,0,1]=4 1123 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [2,0,0,0,0,0|1,0,1]=4 1124 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [2,0,0,0,0,0|1,0,1]=4 1125 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,1]=4 1126 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|2,0,0]=4 1127 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|2,0,0]=4 1128 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|2,0,0]=4 1129 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|2,0,0]=4 1130 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|2,0,0]=4 1131 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|2,0,0]=4 1132 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|2,0,0]=4 1133 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|2,0,0]=4 1134 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|2,0,0]=4 1135 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|0,0,2]=4 1136 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|0,0,2]=4 1137 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|2,0,0]=4 1138 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|2,0,0]=4 1139 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|2,0,0]=4 1140 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|2,0,0]=4 1141 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|2,0,0]=4 1142 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|2,0,0]=4 1143 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|2,0,0]=4 1144 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|2,0,0]=4 1145 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [2,0,0,0,0,0|2,0,0]=4 1146 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|0,0,2]=4 1147 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|0,0,2]=4 1148 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,1]=4 1149 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|0,0,1]=3 1150 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|1,0,1]=4 1151 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|1,0,1]=4 1152 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|1,0,1]=4 1153 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|1,0,1]=4 1154 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|1,0,1]=4 1155 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|0,1,1]=4 1156 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|0,1,1]=4 1157 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [2,0,0,0,0,0|0,0,2]=4 1158 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|0,0,1]=3 1159 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [2,0,0,0,0,0|1,0,1]=4 1160 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [2,0,0,0,0,0|1,0,1]=4 1161 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [2,0,0,0,0,0|1,0,1]=4 1162 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|0,0,1]=3 1163 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|1,0,1]=4 1164 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|0,0,2]=4 1165 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|1,0,0]=3 1166 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1167 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1168 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1169 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 1170 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 1171 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [2,0,0,0,0,0|2,0,0]=4 1172 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [2,0,0,0,0,0|2,0,0]=4 1173 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [2,0,0,0,0,0|2,0,0]=4 1174 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [2,0,0,0,0,0|1,0,0]=3 1175 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [2,0,0,0,0,0|1,0,0]=3 1176 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [2,0,0,0,0,0|1,0,1]=4 1177 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [2,0,0,0,0,0|1,0,1]=4 1178 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [2,0,0,0,0,0|1,0,1]=4 1179 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [2,0,0,0,0,0|0,0,2]=4 1180 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 1181 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 1182 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 1183 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [2,0,0,0,0,0|2,0,0]=4 1184 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [2,0,0,0,0,0|0,0,2]=4 1185 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [2,0,0,0,0,0|0,0,2]=4 1186 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [2,0,0,0,0,0|1,0,1]=4 1187 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [2,0,0,0,0,0|1,0,1]=4 1188 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [2,0,0,0,0,0|0,0,2]=4 1189 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [2,0,0,0,0,0|0,0,2]=4 1190 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [2,0,0,0,0,0|0,0,2]=4 1191 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|1,0,1]=4 1192 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,1,0,0,0,0|1,0,1]=4 1193 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [1,1,0,0,0,0|1,0,1]=4 1194 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [1,1,0,0,0,0|1,0,1]=4 1195 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|1,0,1]=4 1196 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|1,0,1]=4 1197 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|1,0,1]=4 1198 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|1,0,1]=4 1199 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1200 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1201 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1202 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1203 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|2,0,0]=4 1204 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1205 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1206 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|2,0,0]=4 1207 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|2,0,0]=4 1208 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|2,0,0]=4 1209 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|2,0,0]=4 1210 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 1211 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 1212 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|2,0,0]=4 1213 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,1,0,0,0,0|1,0,1]=4 1214 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,1,0,0,0,0|1,0,1]=4 1215 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,1,0,0,0,0|1,0,1]=4 1216 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,1,0,0,0,0|1,0,1]=4 1217 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,1,0,0,0,0|1,0,1]=4 1218 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,1,0,0,0,0|1,0,1]=4 1219 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,1,0,0,0,0|1,0,1]=4 1220 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [1,1,0,0,0,0|1,0,1]=4 1221 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [1,1,0,0,0,0|1,0,1]=4 1222 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [1,1,0,0,0,0|1,0,1]=4 1223 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [1,1,0,0,0,0|1,0,1]=4 1224 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,1,0,0,0,0|1,0,1]=4 1225 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|1,0,1]=4 1226 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|1,0,1]=4 1227 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|1,0,1]=4 1228 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|1,0,1]=4 1229 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|1,0,1]=4 1230 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|1,0,1]=4 1231 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,1,0,0,0,0|1,0,1]=4 1232 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,1,0,0,0,0|1,0,1]=4 1233 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,1,0,0,0,0|1,0,1]=4 1234 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,1,0,0,0,0|1,0,1]=4 1235 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,1,0,0,0,0|1,0,1]=4 1236 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|1,0,1]=4 1237 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|1,0,1]=4 1238 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|1,0,1]=4 1239 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|2,0,0]=4 1240 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|2,0,0]=4 1241 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|2,0,0]=4 1242 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|1,0,1]=4 1243 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|1,0,1]=4 1244 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|2,0,0]=4 1245 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1246 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1247 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|2,0,0]=4 1248 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|1,0,1]=4 1249 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|1,0,1]=4 1250 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|1,0,1]=4 1251 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|1,0,1]=4 1252 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,1,0,0,0,0|2,0,0]=4 1253 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1254 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1255 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 1256 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 1257 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,1,0,0,0,0|2,0,0]=4 1258 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,1,0,0,0,0|2,0,0]=4 1259 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,1,0,0,0,0|2,0,0]=4 1260 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|2,0,0]=4 1261 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,1,0,0,0,0|1,0,1]=4 1262 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,1,0,0,0,0|2,0,0]=4 1263 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,1,0,0,0,0|2,0,0]=4 1264 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,1,0,0,0,0|2,0,0]=4 1265 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|0,0,1]=3 1266 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|0,0,1]=3 1267 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,1,0,0,0,0|1,0,1]=4 1268 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,1,0,0,0,0|1,0,0]=3 1269 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1270 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1271 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,1,0,0,0,0|1,0,0]=3 1272 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,1,0,0,0,0|1,0,0]=3 1273 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1274 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,0]=3 1275 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|0,1,1]=4 1276 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|0,1,1]=4 1277 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|0,1,1]=4 1278 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,1,0,0,0,0|1,1,0]=4 1279 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,1,0,0,0,0|1,1,0]=4 1280 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,1,0,0,0,0|1,1,0]=4 1281 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,1,0,0,0,0|1,1,0]=4 1282 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,1,0,0,0,0|1,1,0]=4 1283 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,1,0,0,0,0|1,1,0]=4 1284 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|1,1,0]=4 1285 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|1,1,0]=4 1286 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1287 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 1288 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,1,0,0,0,0|2,0,0]=4 1289 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1290 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1291 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,1,0,0,0,0|2,0,0]=4 1292 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,1,0,0,0,0|2,0,0]=4 1293 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 1294 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,1,0,0,0,0|2,0,0]=4 1295 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,1,0,0,0,0|2,0,0]=4 1296 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1297 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1298 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 1299 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,1,0,0,0,0|2,0,0]=4 1300 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,1,0,0,0,0|2,0,0]=4 1301 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,1,0,0,0,0|2,0,0]=4 1302 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,1,0,0,0,0|2,0,0]=4 1303 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,1,0,0,0,0|2,0,0]=4 1304 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1305 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,1,0,0,0,0|2,0,0]=4 1306 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1307 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,1,0,0,0,0|2,0,0]=4 1308 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 1309 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,1,0,0,0,0|2,0,0]=4 1310 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 1311 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,1,0,0,0,0|2,0,0]=4 1312 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1313 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1314 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 1315 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,1,0,0,0,0|2,0,0]=4 1316 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 1317 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|2,0,0]=4 1318 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|2,0,0]=4 1319 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|2,0,0]=4 1320 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|2,0,0]=4 1321 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|2,0,0]=4 1322 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|2,0,0]=4 1323 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|2,0,0]=4 1324 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|1,0,0]=3 1325 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|1,0,0]=3 1326 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|2,0,0]=4 1327 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,1,0,0,0,0|1,0,1]=4 1328 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,1,0,0,0,0|1,0,1]=4 1329 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,1,0,0,0,0|1,0,1]=4 1330 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,1,0,0,0,0|1,0,1]=4 1331 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,1,0,0,0,0|1,0,1]=4 1332 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,1,0,0,0,0|1,0,1]=4 1333 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,1,0,0,0,0|1,0,1]=4 1334 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,1,0,0,0,0|1,0,0]=3 1335 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,1,0,0,0,0|2,0,0]=4 1336 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,1,0,0,0,0|2,0,0]=4 1337 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,1,0,0,0,0|1,0,0]=3 1338 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,1,0,0,0,0|1,0,0]=3 1339 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [1,1,0,0,0,0|2,0,0]=4 1340 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,1,0,0,0,0|1,0,1]=4 1341 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,1,0,0,0,0|1,0,1]=4 1342 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,1,0,0,0,0|1,0,1]=4 1343 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,1,0,0,0,0|1,0,1]=4 1344 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,1,0,0,0,0|1,0,1]=4 1345 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|1,0,1]=4 1346 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|1,0,1]=4 1347 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,1,0,0,0,0|1,0,1]=4 1348 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,1,0,0,0,0|1,0,1]=4 1349 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,1,0,0,0,0|1,0,1]=4 1350 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,1,0,0,0,0|1,0,1]=4 1351 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,1,0,0,0,0|1,0,1]=4 1352 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,1,0,0,0,0|1,0,1]=4 1353 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,1,0,0,0,0|1,0,1]=4 1354 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,1,0,0,0,0|1,0,1]=4 1355 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,1,0,0,0,0|1,0,1]=4 1356 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,1,0,0,0,0|1,0,1]=4 1357 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,1,0,0,0,0|1,0,1]=4 1358 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,1,0,0,0,0|2,0,0]=4 1359 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,1,0,0,0,0|1,0,1]=4 1360 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,1,0,0,0,0|1,0,1]=4 1361 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,1,0,0,0,0|1,0,1]=4 1362 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,1,0,0,0,0|1,0,1]=4 1363 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,1,0,0,0,0|1,0,1]=4 1364 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,1,0,0,0,0|1,0,1]=4 1365 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,1,0,0,0,0|1,0,1]=4 1366 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,1,0,0,0,0|1,0,1]=4 1367 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,1,0,0,0,0|1,0,1]=4 1368 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,1,0,0,0,0|1,0,1]=4 1369 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,1,0,0,0,0|1,0,1]=4 1370 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,1,0,0,0,0|1,0,1]=4 1371 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,1,0,0,0,0|1,0,1]=4 1372 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,1,0,0,0,0|1,0,1]=4 1373 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,1,0,0,0,0|1,0,1]=4 1374 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,1,0,0,0,0|1,0,1]=4 1375 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,1,0,0,0,0|1,0,1]=4 1376 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,1,0,0,0,0|1,0,1]=4 1377 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,1,0,0,0,0|1,0,1]=4 1378 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,1,0,0,0,0|1,0,1]=4 1379 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,1,0,0,0,0|1,0,1]=4 1380 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,1,0,0,0,0|1,0,1]=4 1381 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,1,0,0,0,0|1,0,1]=4 1382 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 1383 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 1384 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,1,0,0,0,0|2,0,0]=4 1385 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,1,0,0,0,0|0,0,1]=3 1386 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,1,0,0,0,0|0,0,1]=3 1387 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,1,0,0,0,0|0,0,1]=3 1388 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,1,0,0,0,0|0,0,1]=3 1389 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,1,0,0,0,0|0,0,1]=3 1390 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,1,0,0,0,0|0,0,1]=3 1391 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,1,0,0,0,0|0,0,1]=3 1392 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,1,0,0,0,0|0,0,1]=3 1393 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,1,0,0,0,0|2,0,0]=4 1394 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,1,0,0,0,0|1,0,1]=4 1395 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [1,1,0,0,0,0|1,0,1]=4 1396 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [1,1,0,0,0,0|1,0,1]=4 1397 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,1,0,0,0,0|2,0,0]=4 1398 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|1,0,1]=4 1399 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|1,0,1]=4 1400 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|1,0,1]=4 1401 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1402 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1403 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1404 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1405 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|2,0,0]=4 1406 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1407 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1408 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 1409 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|2,0,0]=4 1410 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 1411 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 1412 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [1,1,0,0,0,0|1,0,1]=4 1413 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [1,1,0,0,0,0|0,0,1]=3 1414 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [1,1,0,0,0,0|0,1,1]=4 1415 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [1,1,0,0,0,0|0,1,1]=4 1416 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [1,1,0,0,0,0|1,0,1]=4 1417 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [1,1,0,0,0,0|1,0,1]=4 1418 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [1,1,0,0,0,0|1,0,1]=4 1419 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [1,1,0,0,0,0|1,0,1]=4 1420 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [1,1,0,0,0,0|0,0,2]=4 1421 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [1,1,0,0,0,0|0,0,2]=4 1422 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [1,1,0,0,0,0|1,0,1]=4 1423 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [1,1,0,0,0,0|1,0,1]=4 1424 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [1,1,0,0,0,0|1,0,1]=4 1425 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [1,1,0,0,0,0|1,0,1]=4 1426 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [1,1,0,0,0,0|1,0,1]=4 1427 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [1,1,0,0,0,0|1,0,1]=4 1428 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [1,1,0,0,0,0|1,0,1]=4 1429 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [1,1,0,0,0,0|1,0,1]=4 1430 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [1,1,0,0,0,0|0,0,2]=4 1431 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,1,0,0,0,0|1,0,1]=4 1432 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,1,0,0,0,0|1,0,1]=4 1433 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,1,0,0,0,0|1,0,1]=4 1434 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,1,0,0,0,0|0,0,2]=4 1435 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,1,0,0,0,0|0,0,2]=4 1436 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [1,1,0,0,0,0|2,0,0]=4 1437 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [1,1,0,0,0,0|2,0,0]=4 1438 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [1,1,0,0,0,0|2,0,0]=4 1439 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [1,1,0,0,0,0|2,0,0]=4 1440 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [1,1,0,0,0,0|0,0,2]=4 1441 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [1,1,0,0,0,0|0,0,2]=4 1442 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [1,1,0,0,0,0|1,0,0]=3 1443 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [1,1,0,0,0,0|2,0,0]=4 1444 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [1,1,0,0,0,0|2,0,0]=4 1445 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [1,1,0,0,0,0|1,0,0]=3 1446 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,1,0,0,0,0|1,0,1]=4 1447 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 1448 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 1449 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 1450 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,1,0,0,0,0|2,0,0]=4 1451 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,1,0,0,0,0|0,0,2]=4 1452 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [1,1,0,0,0,0|1,0,1]=4 1453 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [1,1,0,0,0,0|1,0,1]=4 1454 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [1,1,0,0,0,0|2,0,0]=4 1455 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [1,1,0,0,0,0|2,0,0]=4 1456 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [1,1,0,0,0,0|2,0,0]=4 1457 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [1,1,0,0,0,0|2,0,0]=4 1458 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [1,1,0,0,0,0|0,0,2]=4 1459 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [1,1,0,0,0,0|0,0,2]=4 1460 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,1,0,0,0,0|1,0,1]=4 1461 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,1,0,0,0,0|0,0,2]=4 1462 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [1,1,0,0,0,0|2,0,0]=4 1463 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [1,1,0,0,0,0|2,0,0]=4 1464 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [1,1,0,0,0,0|2,0,0]=4 1465 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [1,1,0,0,0,0|2,0,0]=4 1466 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [1,1,0,0,0,0|2,0,0]=4 1467 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [1,1,0,0,0,0|1,0,0]=3 1468 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [1,1,0,0,0,0|2,0,0]=4 1469 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [1,1,0,0,0,0|2,0,0]=4 1470 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [1,1,0,0,0,0|2,0,0]=4 1471 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [1,1,0,0,0,0|0,0,2]=4 1472 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [1,1,0,0,0,0|0,0,2]=4 1473 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [1,1,0,0,0,0|0,0,2]=4 1474 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,1,0,0,0,0|1,0,1]=4 1475 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,1,0,0,0,0|1,0,1]=4 1476 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [1,1,0,0,0,0|2,0,0]=4 1477 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|1,0,1]=4 1478 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|1,0,1]=4 1479 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [1,1,0,0,0,0|1,0,1]=4 1480 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|1,0,1]=4 1481 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|1,0,1]=4 1482 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [1,1,0,0,0,0|1,0,1]=4 1483 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [1,1,0,0,0,0|1,0,1]=4 1484 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,1,0,0,0,0|1,0,1]=4 1485 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [1,1,0,0,0,0|1,0,1]=4 1486 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,1,0,0,0,0|0,0,2]=4 1487 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,1,0,0,0,0|2,0,0]=4 1488 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,1,0,0,0,0|2,0,0]=4 1489 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [1,1,0,0,0,0|2,0,0]=4 1490 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|1,0,1]=4 1491 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|1,0,1]=4 1492 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|1,0,1]=4 1493 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|1,0,1]=4 1494 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|1,0,1]=4 1495 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|1,0,1]=4 1496 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|1,0,1]=4 1497 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|1,0,1]=4 1498 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|1,0,1]=4 1499 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,1,0,0,0,0|0,0,2]=4 1500 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|0,0,1]=3 1501 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|0,0,1]=3 1502 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|0,0,1]=3 1503 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1504 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1505 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|2,0,0]=4 1506 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|2,0,0]=4 1507 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|2,0,0]=4 1508 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|2,0,0]=4 1509 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,1,0,0,0,0|2,0,0]=4 1510 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,1,0,0,0,0|2,0,0]=4 1511 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1512 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|2,0,0]=4 1513 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,1,0,0,0,0|2,0,0]=4 1514 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|2,0,0]=4 1515 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|2,0,0]=4 1516 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|1,0,0]=3 1517 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|1,0,0]=3 1518 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|1,0,0]=3 1519 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,1,0,0,0,0|1,0,1]=4 1520 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,1,0,0,0,0|2,0,0]=4 1521 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,1,0,0,0,0|1,0,1]=4 1522 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,1,0,0,0,0|1,0,1]=4 1523 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|1,0,0]=3 1524 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|1,0,0]=3 1525 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|1,0,1]=4 1526 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|1,0,1]=4 1527 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|1,0,1]=4 1528 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|1,0,1]=4 1529 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|1,0,1]=4 1530 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|1,0,1]=4 1531 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|1,0,1]=4 1532 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,1,0,0,0,0|2,0,0]=4 1533 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|0,0,1]=3 1534 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|0,0,1]=3 1535 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|1,0,1]=4 1536 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|0,0,1]=3 1537 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|1,0,1]=4 1538 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|0,1,1]=4 1539 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|0,1,1]=4 1540 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,1,0,0,0,0|2,0,0]=4 1541 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,1,0,0,0,0|2,0,0]=4 1542 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|1,0,1]=4 1543 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|0,0,0]=2 1544 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|0,0,0]=2 1545 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,1,0,0,0,0|1,0,0]=3 1546 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,1,0,0,0,0|1,0,0]=3 1547 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|0,0,1]=3 1548 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|0,0,1]=3 1549 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|0,0,1]=3 1550 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|0,0,1]=3 1551 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|1,0,1]=4 1552 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|1,0,1]=4 1553 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|1,0,1]=4 1554 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|0,0,1]=3 1555 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|0,0,1]=3 1556 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,1,0,0,0,0|1,1,0]=4 1557 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,1,0,0,0,0|1,1,0]=4 1558 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|0,1,1]=4 1559 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|0,1,1]=4 1560 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|0,1,1]=4 1561 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|0,1,1]=4 1562 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|0,1,1]=4 1563 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,1,0,0,0,0|0,1,1]=4 1564 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,1,0,0,0,0|0,1,1]=4 1565 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,1,0,0,0,0|2,0,0]=4 1566 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,1,0,0,0,0|2,0,0]=4 1567 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,1,0,0,0,0|2,0,0]=4 1568 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|1,0,1]=4 1569 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|1,0,1]=4 1570 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,1,0,0,0,0|2,0,0]=4 1571 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 1572 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 1573 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,1,0,0,0,0|2,0,0]=4 1574 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,1,0,0,0,0|2,0,0]=4 1575 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,1,0,0,0,0|1,0,0]=3 1576 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,1,0,0,0,0|1,0,0]=3 1577 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,1,0,0,0,0|2,0,0]=4 1578 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|1,0,1]=4 1579 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|1,0,1]=4 1580 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|1,0,1]=4 1581 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|1,0,1]=4 1582 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|1,0,1]=4 1583 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|1,0,1]=4 1584 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,1,0,0,0,0|2,0,0]=4 1585 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,1,0,0,0,0|2,0,0]=4 1586 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,1,0,0,0,0|2,0,0]=4 1587 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,1,0,0,0,0|2,0,0]=4 1588 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,1,0,0,0,0|2,0,0]=4 1589 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,1,0,0,0,0|2,0,0]=4 1590 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,1,0,0,0,0|2,0,0]=4 1591 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|1,0,1]=4 1592 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|1,0,1]=4 1593 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|1,0,1]=4 1594 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|1,0,1]=4 1595 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 1596 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 1597 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 1598 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|2,0,0]=4 1599 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|2,0,0]=4 1600 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|2,0,0]=4 1601 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|2,0,0]=4 1602 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|2,0,0]=4 1603 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|0,0,1]=3 1604 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,1,0,0,0,0|1,0,1]=4 1605 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,1,0,0,0,0|1,0,1]=4 1606 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,1,0,0,0,0|1,0,1]=4 1607 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 1608 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|1,0,1]=4 1609 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|0,0,1]=3 1610 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [1,1,0,0,0,0|1,0,1]=4 1611 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [1,1,0,0,0,0|1,0,1]=4 1612 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,1,0,0,0,0|1,0,0]=3 1613 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|1,0,1]=4 1614 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|1,0,1]=4 1615 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|1,0,1]=4 1616 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,1,0,0,0,0|0,0,2]=4 1617 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,1,0,0,0,0|0,0,1]=3 1618 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,1,0,0,0,0|0,0,1]=3 1619 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [1,1,0,0,0,0|1,0,1]=4 1620 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,1,0,0,0,0|0,1,1]=4 1621 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1622 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1623 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 1624 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|2,0,0]=4 1625 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 1626 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 1627 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|2,0,0]=4 1628 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [1,1,0,0,0,0|2,0,0]=4 1629 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,1,0,0,0,0|0,0,2]=4 1630 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,1,0,0,0,0|1,0,0]=3 1631 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|1,0,1]=4 1632 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,1,0,0,0,0|1,0,1]=4 1633 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,1,0,0,0,0|0,0,1]=3 1634 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,1,0,0,0,0|1,0,1]=4 1635 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,1,0,0,0,0|0,1,1]=4 1636 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [1,1,0,0,0,0|1,0,1]=4 1637 B9R0.4 C=C(C)CC(=O)C#CCC 1458a_100011827653_100000748629 [0,1,0,0,0,1|2,0,0]=4 1638 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,1,0,0,0,1|2,0,0]=4 1639 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,0,0,0,1|2,0,0]=4 1640 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,1,0,0,0,1|2,0,0]=4 1641 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,1,0,0,0,1|2,0,0]=4 1642 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,1,0,0,0,1|1,0,0]=3 1643 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,1,0,0,0,1|1,1,0]=4 1644 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,1,0,0,0,1|1,0,0]=3 1645 B9R0.4 C=C(F)CC(=O)COCC 1458a_100000211967_100009893438 [0,1,0,0,0,1|1,0,1]=4 1646 B9R0.4 C=CCNC(=O)CC(=O)C 1458a_100000070787_100000183597 [0,1,0,0,0,1|1,0,1]=4 1647 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,1,0,0,0,1|0,0,1]=3 1648 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,1,0,0,0,1|2,0,0]=4 1649 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,1,0,0,0,1|2,0,0]=4 1650 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,1,0,0,0,1|2,0,0]=4 1651 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,1,0,0,0,1|2,0,0]=4 1652 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,1,0,0,0,1|2,0,0]=4 1653 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,1,0,0,0,1|2,0,0]=4 1654 B9R0.4 CC(=CC(=O)NCCF)C 11a_100000724931_100000211388 [0,1,0,0,0,1|2,0,0]=4 1655 B9R0.4 CC(=CC(=O)NCCF)C 1626a_100000724931_100000211388 [0,1,0,0,0,1|2,0,0]=4 1656 B9R0.4 CC(=CC(=O)NCCF)C 240690a_100000724931_100000211388 [0,1,0,0,0,1|2,0,0]=4 1657 B9R0.4 CC(=CC(=O)NCCF)Cl 11a_100000724931_200042562850 [0,1,0,0,0,1|2,0,0]=4 1658 B9R0.4 CC(=CC(=O)NCCF)Cl 1626a_100000724931_200042562850 [0,1,0,0,0,1|2,0,0]=4 1659 B9R0.4 CC(=CC(=O)NCCF)Cl 240690a_100000724931_200042562850 [0,1,0,0,0,1|2,0,0]=4 1660 B9R0.4 CC(=CC(=O)NCCF)I 11a_100000724931_100025716642 [0,1,0,0,0,1|2,0,0]=4 1661 B9R0.4 CC(=CC(=O)NCCF)I 1626a_100000724931_100025716642 [0,1,0,0,0,1|2,0,0]=4 1662 B9R0.4 CC(=CC(=O)NCCO)C 240690a_100000210304_100000211388 [0,1,0,0,0,1|2,0,0]=4 1663 B9R0.4 CC(=CC(=O)NCCO)Cl 240690a_100000210304_200042562850 [0,1,0,0,0,1|2,0,0]=4 1664 B9R0.4 CC(=O)CC(=O)NCC#N 1458a_100000070787_100000736037 [0,1,0,0,0,1|1,0,1]=4 1665 B9R0.4 CC(=O)NC(=O)CSCF 62a_100015361967_100000183797 [0,1,0,0,0,1|1,1,0]=4 1666 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,1,0,0,0,1|1,0,1]=4 1667 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,1,0,0,0,1|1,0,1]=4 1668 B9R0.4 CCC#CC(=O)CC(=O)N 1458a_100011827653_100000187820 [0,1,0,0,0,1|2,0,0]=4 1669 B9R0.4 CCC#CC(=O)CC(=O)[O-] 1458a_100011827653_100020667443 [0,1,0,0,0,1|2,0,0]=4 1670 B9R0.4 CCC=CC(=O)CC(=O)N 1458a_100000212282_100000187820 [0,1,0,0,0,1|2,0,0]=4 1671 B9R0.4 CCC=CC(=O)CC(=O)[O-] 1458a_100000212282_100020667443 [0,1,0,0,0,1|2,0,0]=4 1672 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,1,0,0,0,1|2,0,0]=4 1673 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,1,0,0,0,1|2,0,0]=4 1674 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,1,0,0,0,1|2,0,0]=4 1675 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,1,0,0,0,1|2,0,0]=4 1676 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,1,0,0,0,1|2,0,0]=4 1677 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,1,0,0,0,1|2,0,0]=4 1678 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,1,0,0,0,1|2,0,0]=4 1679 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,1,0,0,0,1|2,0,0]=4 1680 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,1,0,0,0,1|2,0,0]=4 1681 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,1,0,0,0,1|2,0,0]=4 1682 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,1,0,0,0,1|2,0,0]=4 1683 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,1,0,0,0,1|2,0,0]=4 1684 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,1,0,0,0,1|2,0,0]=4 1685 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,1,0,0,0,1|2,0,0]=4 1686 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,1,0,0,0,1|1,0,0]=3 1687 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,1,0,0,0,1|2,0,0]=4 1688 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,1,0,0,0,1|2,0,0]=4 1689 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,1,0,0,0,1|0,0,0]=2 1690 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,1,0,0,0,1|2,0,0]=4 1691 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,1,0,0,0,1|2,0,0]=4 1692 B9R0.4 CCNCC(=O)NC(=O)N 2230a_100015525214_100000182717 [0,1,0,0,0,1|2,0,0]=4 1693 B9R0.4 CCNNC(=O)C=C(C)C 22a_100000756455_100000211388 [0,1,0,0,0,1|2,0,0]=4 1694 B9R0.4 CCNNC(=O)C=C(C)Cl 22a_100000756455_200042562850 [0,1,0,0,0,1|2,0,0]=4 1695 B9R0.4 CCNNC(=O)CC(=O)N 22a_100000756455_100134613110 [0,1,0,0,0,1|2,0,0]=4 1696 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,1,0,0,0,1|1,0,0]=3 1697 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,1,0,0,0,1|1,0,0]=3 1698 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,1,0,0,0,1|1,0,1]=4 1699 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,1,0,0,0,1|0,0,2]=4 1700 B9R0.4 CCOCC(=O)C[N+](=O)[O-] 1458a_100000211967_100000761209 [0,1,0,0,0,1|2,0,0]=4 1701 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,1,0,0,0,1|1,0,1]=4 1702 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,1,0,0,0,1|1,0,1]=4 1703 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,1,0,0,0,1|1,0,1]=4 1704 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,1,0,0,0,1|1,0,1]=4 1705 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,1,0,0,0,1|1,0,1]=4 1706 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,1,0,0,0,1|1,0,1]=4 1707 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,1,0,0,0,1|1,1,0]=4 1708 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,1,0,0,0,1|1,1,0]=4 1709 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,1,0,0,0,1|0,1,0]=3 1710 B9R0.4 CCSCC(=O)NC(=O)N 62a_100000210202_100000182717 [0,1,0,0,0,1|1,1,0]=4 1711 B9R0.4 CNCCC(=O)NC(=O)N 2230a_106832991635_100000237605 [0,1,0,0,0,1|2,0,0]=4 1712 B9R0.4 CNCCC(=O)NC(=O)N 7a_106832991635_100000237605 [0,1,0,0,0,1|2,0,0]=4 1713 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,1,0,0,0,1|2,0,0]=4 1714 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,1,0,0,0,1|2,0,0]=4 1715 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,1,0,0,0,1|2,0,0]=4 1716 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,1,0,0,0,1|2,0,0]=4 1717 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,1,0,0,0,1|2,0,0]=4 1718 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,1,0,0,0,1|2,0,0]=4 1719 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,1,0,0,0,1|2,0,0]=4 1720 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,1,0,0,0,1|2,0,0]=4 1721 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,1,0,0,0,1|2,0,0]=4 1722 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,1,0,0,0,1|2,0,0]=4 1723 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,1,0,0,0,1|2,0,0]=4 1724 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,1,0,0,0,1|2,0,0]=4 1725 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,1,0,0,0,1|2,0,0]=4 1726 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,1,0,0,0,1|1,0,1]=4 1727 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,1,0,0,0,1|1,0,1]=4 1728 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,1,0,0,0,1|2,0,0]=4 1729 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,1,0,0,0,1|2,0,0]=4 1730 B9R0.4 NC(=O)CC(=O)NCCF 240690a_100000724931_100134613110 [0,1,0,0,0,1|2,0,0]=4 1731 B9R0.4 NC(=O)CC(=O)NCCF 527a_100000724931_100134613110 [0,1,0,0,0,1|2,0,0]=4 1732 B9R0.4 NC(=O)CC(=O)NCCO 240690a_100000210304_100134613110 [0,1,0,0,0,1|2,0,0]=4 1733 B9R0.4 NC(=O)CC(=O)NCCO 527a_100000210304_100134613110 [0,1,0,0,0,1|2,0,0]=4 1734 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,1,0,0,0,1|2,0,0]=4 1735 B9R0.6 CC#CC(=O)C(C)C(=O)C 1458a_100000763181_100000179758 [0,1,0,0,0,1|1,0,1]=4 1736 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,1,0,0,0,1|2,0,0]=4 1737 B9R0.6 CC=CC(=O)C(C)C(=O)C 1458a_100000210699_100000179758 [0,1,0,0,0,1|1,0,1]=4 1738 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,0,0,0,1|1,0,0]=3 1739 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,1,0,0,0,1|2,0,0]=4 1740 B9R0.6 CCCC(=O)C(F)C(=O)N 1458a_100000211992_100009813875 [0,1,0,0,0,1|2,0,0]=4 1741 B9R0.6 CCCC(=O)C(F)C(=O)[O-] 1458a_100000211992_100020610796 [0,1,0,0,0,1|2,0,0]=4 1742 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,1,0,0,0,1|1,0,0]=3 1743 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,1,0,0,0,1|2,0,0]=4 1744 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,1,0,0,0,1|2,0,0]=4 1745 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,1,0,0,0,1|2,0,0]=4 1746 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,1,0,0,0,1|0,0,0]=2 1747 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,1,0,0,0,1|0,0,0]=2 1748 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,1,0,0,0,1|0,0,0]=2 1749 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,1,0,0,0,1|2,0,0]=4 1750 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,1,0,0,0,1|2,0,0]=4 1751 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,1,0,0,0,1|0,0,0]=2 1752 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,1,0,0,0,1|2,0,0]=4 1753 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,1,0,0,0,1|2,0,0]=4 1754 B9R0.6 COCC(=O)C(C)C(=O)C 1458a_100000210968_100000179758 [0,1,0,0,0,1|2,0,0]=4 1755 B9R0.6 CSCC(=O)C(C)C(=O)C 1458a_100000184570_100000179758 [0,1,0,0,0,1|2,0,0]=4 1756 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,1,0,0,0,1|2,0,0]=4 1757 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [0,1,0,0,0,1|2,0,0]=4 1758 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [0,1,0,0,0,1|2,0,0]=4 1759 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [0,1,0,0,0,1|2,0,0]=4 1760 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [0,1,0,0,0,1|2,0,0]=4 1761 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,1,0,0,0,1|2,0,0]=4 1762 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,1,0,0,0,1|2,0,0]=4 1763 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,1,0,0,0,1|2,0,0]=4 1764 B9R0.23 CCC(O)C(=O)CC(=O)N 1458a_100011196387_100000187820 [0,1,0,0,0,1|2,0,0]=4 1765 B9R0.23 CCC(O)C(=O)CC(=O)[O-] 1458a_100011196387_100020667443 [0,1,0,0,0,1|2,0,0]=4 1766 B9R0.23 CCN(C)C(=O)C=C(C)C 11a_100000225621_100000211388 [0,1,0,0,0,1|2,0,0]=4 1767 B9R0.23 CCN(C)C(=O)C=C(C)C 1626a_100000225621_100000211388 [0,1,0,0,0,1|2,0,0]=4 1768 B9R0.23 CCN(C)C(=O)C=C(C)C 240690a_100000225621_100000211388 [0,1,0,0,0,1|2,0,0]=4 1769 B9R0.23 CCN(C)C(=O)C=C(C)Cl 11a_100000225621_200042562850 [0,1,0,0,0,1|2,0,0]=4 1770 B9R0.23 CCN(C)C(=O)C=C(C)Cl 1626a_100000225621_200042562850 [0,1,0,0,0,1|2,0,0]=4 1771 B9R0.23 CCN(C)C(=O)C=C(C)Cl 240690a_100000225621_200042562850 [0,1,0,0,0,1|2,0,0]=4 1772 B9R0.23 CCN(C)C(=O)C=C(C)I 11a_100000225621_100025716642 [0,1,0,0,0,1|2,0,0]=4 1773 B9R0.23 CCN(C)C(=O)C=C(C)I 1626a_100000225621_100025716642 [0,1,0,0,0,1|2,0,0]=4 1774 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,1,0,0,0,1|1,0,0]=3 1775 B9R0.23 CCN(C)C(=O)CC(=O)N 240690a_100000225621_100134613110 [0,1,0,0,0,1|2,0,0]=4 1776 B9R0.23 CCN(C)C(=O)CC(=O)N 527a_100000225621_100134613110 [0,1,0,0,0,1|2,0,0]=4 1777 B9R0.23 CON(C)C(=O)CC(=O)C 1458a_100000070787_100000764215 [0,1,0,0,0,1|2,0,0]=4 1778 B9R0.34 C#CC(=O)CC(=O)CCC 1458a_100000211873_100000747444 [0,1,0,0,0,1|1,0,1]=4 1779 B9R0.34 C#CC(=O)CC(=O)NCC 1458a_100000211873_100000183381 [0,1,0,0,0,1|1,0,1]=4 1780 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,1,0,0,0,1|0,0,1]=3 1781 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,1,0,0,0,1|2,0,0]=4 1782 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [0,1,0,0,0,1|2,0,0]=4 1783 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,1,0,0,0,1|2,0,0]=4 1784 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,1,0,0,0,1|2,0,0]=4 1785 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,1,0,0,0,1|2,0,0]=4 1786 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,1,0,0,0,1|1,0,1]=4 1787 B9R0.34 C=CC(=O)CC(=O)NCC 1458a_100000185746_100000183381 [0,1,0,0,0,1|1,0,1]=4 1788 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,1,0,0,0,1|0,0,1]=3 1789 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [0,1,0,0,0,1|0,0,2]=4 1790 B9R0.34 C=COC(=O)CC(=O)CO 1458a_100000210174_100000036128 [0,1,0,0,0,1|0,0,2]=4 1791 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [0,1,0,0,0,1|1,0,1]=4 1792 B9R0.34 CC#CC(=O)CC(=O)NC 1458a_100000763181_100000183359 [0,1,0,0,0,1|1,0,1]=4 1793 B9R0.34 CC#CC(=O)CC(=O)OC 1458a_100000763181_100000747449 [0,1,0,0,0,1|1,0,1]=4 1794 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,1,0,0,0,1|1,0,1]=4 1795 B9R0.34 CC=CC(=O)CC(=O)NC 1458a_100000210699_100000183359 [0,1,0,0,0,1|1,0,1]=4 1796 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,1,0,0,0,1|1,0,1]=4 1797 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,1,0,0,0,1|2,0,0]=4 1798 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,1,0,0,0,1|2,0,0]=4 1799 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,1,0,0,0,1|2,0,0]=4 1800 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [0,1,0,0,0,1|2,0,0]=4 1801 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,1,0,0,0,1|2,0,0]=4 1802 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [0,1,0,0,0,1|2,0,0]=4 1803 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,1,0,0,0,1|2,0,0]=4 1804 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,1,0,0,0,1|2,0,0]=4 1805 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,1,0,0,0,1|2,0,0]=4 1806 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,1,0,0,0,1|2,0,0]=4 1807 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,1|1,0,0]=3 1808 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,1|1,0,0]=3 1809 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,1,0,0,0,1|1,0,0]=3 1810 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,1|1,0,0]=3 1811 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,1|1,0,0]=3 1812 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,1|1,0,0]=3 1813 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,1,0,0,0,1|2,0,0]=4 1814 B9R0.34 CCCS(=O)CC(=O)CF 1458a_100011387404_100015361967 [0,1,0,0,0,1|2,0,0]=4 1815 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [0,1,0,0,0,1|2,0,0]=4 1816 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [0,1,0,0,0,1|2,0,0]=4 1817 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [0,1,0,0,0,1|2,0,0]=4 1818 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [0,1,0,0,0,1|2,0,0]=4 1819 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,1,0,0,0,1|2,0,0]=4 1820 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,1,0,0,0,1|2,0,0]=4 1821 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,1,0,0,0,1|1,0,0]=3 1822 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,1,0,0,0,1|1,0,0]=3 1823 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,1,0,0,0,1|1,0,0]=3 1824 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,1|0,0,0]=2 1825 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,1|0,0,0]=2 1826 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,1,0,0,0,1|0,0,0]=2 1827 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,1,0,0,0,1|0,0,0]=2 1828 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,1,0,0,0,1|0,0,0]=2 1829 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,1,0,0,0,1|1,0,1]=4 1830 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,1,0,0,0,1|1,0,1]=4 1831 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,1,0,0,0,1|0,1,1]=4 1832 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,1,0,0,0,1|0,1,1]=4 1833 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,1,0,0,0,1|0,1,1]=4 1834 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,1,0,0,0,1|0,1,1]=4 1835 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,1,0,0,0,1|2,0,0]=4 1836 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,1,0,0,0,1|2,0,0]=4 1837 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,1,0,0,0,1|2,0,0]=4 1838 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,1,0,0,0,1|2,0,0]=4 1839 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,1,0,0,0,1|2,0,0]=4 1840 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,1,0,0,0,1|2,0,0]=4 1841 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,1,0,0,0,1|2,0,0]=4 1842 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,1,0,0,0,1|0,0,2]=4 1843 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,1,0,0,0,1|0,0,2]=4 1844 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,1,0,0,0,1|0,1,1]=4 1845 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,1,0,0,0,1|0,1,1]=4 1846 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,1,0,0,0,1|0,1,1]=4 1847 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,1,0,0,0,1|0,1,1]=4 1848 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,1,0,0,0,1|1,0,1]=4 1849 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [0,1,0,0,0,1|2,0,0]=4 1850 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [0,1,0,0,0,1|2,0,0]=4 1851 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,1,0,0,0,1|2,0,0]=4 1852 B9R0.34 CNNC(=O)CC(=O)OC 22a_100016993582_100000211351 [0,1,0,0,0,1|2,0,0]=4 1853 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,1,0,0,0,1|2,0,0]=4 1854 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,1,0,0,0,1|2,0,0]=4 1855 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,1,0,0,0,1|2,0,0]=4 1856 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,1,0,0,0,1|2,0,0]=4 1857 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,1,0,0,0,1|2,0,0]=4 1858 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,1,0,0,0,1|2,0,0]=4 1859 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,1,0,0,0,1|2,0,0]=4 1860 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,1,0,0,0,1|2,0,0]=4 1861 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [0,1,0,0,0,1|2,0,0]=4 1862 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [0,1,0,0,0,1|2,0,0]=4 1863 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,1,0,0,0,1|2,0,0]=4 1864 B9R0.34 O=C(CO)CC(=O)NCO 1458a_100000210174_100000185155 [0,1,0,0,0,1|2,0,0]=4 1865 B9R0.44 CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210303 [0,1,0,0,0,1|2,0,0]=4 1866 B9R0.44 CCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000211992 [0,1,0,0,0,1|2,0,0]=4 1867 B9R0.44 CCNC(=O)CS(=O)(=O)C 11a_100015525214_100000744497 [0,1,0,0,0,1|2,0,0]=4 1868 B9R0.44 CCNC(=O)CS(=O)(=O)C 240690a_100015525214_100000744497 [0,1,0,0,0,1|2,0,0]=4 1869 B9R0.44 CCNC(=O)CS(=O)(=O)C 527a_100015525214_100000744497 [0,1,0,0,0,1|2,0,0]=4 1870 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,1,0,0,0,1|2,0,0]=4 1871 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,1,0,0,0,1|2,0,0]=4 1872 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,1,0,0,0,1|2,0,0]=4 1873 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,1,0,0,0,1|2,0,0]=4 1874 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,1,0,0,0,1|2,0,0]=4 1875 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,1,0,0,0,1|2,0,0]=4 1876 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [0,1,0,0,0,1|2,0,0]=4 1877 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [0,1,0,0,0,1|2,0,0]=4 1878 B9R0.53 CC(=CC(=O)NC(C)C)C 11a_100138425928_100000211388 [0,1,0,0,0,1|2,0,0]=4 1879 B9R0.53 CC(=CC(=O)NC(C)C)C 1626a_100138425928_100000211388 [0,1,0,0,0,1|2,0,0]=4 1880 B9R0.53 CC(=CC(=O)NC(C)C)C 240690a_100138425928_100000211388 [0,1,0,0,0,1|2,0,0]=4 1881 B9R0.53 CC(=CC(=O)NC(C)C)Cl 11a_100138425928_200042562850 [0,1,0,0,0,1|2,0,0]=4 1882 B9R0.53 CC(=CC(=O)NC(C)C)Cl 1626a_100138425928_200042562850 [0,1,0,0,0,1|2,0,0]=4 1883 B9R0.53 CC(=CC(=O)NC(C)C)Cl 240690a_100138425928_200042562850 [0,1,0,0,0,1|2,0,0]=4 1884 B9R0.53 CC(=CC(=O)NC(C)C)I 11a_100138425928_100025716642 [0,1,0,0,0,1|2,0,0]=4 1885 B9R0.53 CC(=CC(=O)NC(C)C)I 1626a_100138425928_100025716642 [0,1,0,0,0,1|2,0,0]=4 1886 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,1,0,0,0,1|1,0,1]=4 1887 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,0,0,0,1|1,0,0]=3 1888 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,0,1|0,0,0]=2 1889 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [0,1,0,0,0,1|2,0,0]=4 1890 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,1,0,0,0,1|2,0,0]=4 1891 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,1,0,0,0,1|2,0,0]=4 1892 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,1,0,0,0,1|2,0,0]=4 1893 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,1,0,0,0,1|2,0,0]=4 1894 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,1,0,0,0,1|2,0,0]=4 1895 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,1,0,0,0,1|2,0,0]=4 1896 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,1,0,0,0,1|2,0,0]=4 1897 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,1,0,0,0,1|2,0,0]=4 1898 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,1,0,0,0,1|2,0,0]=4 1899 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,1,0,0,0,1|2,0,0]=4 1900 B9R0.58 CCCS(=O)(=O)NC(=O)C 2740a_100000171175_100015343762 [0,1,0,0,0,1|2,0,0]=4 1901 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,1,0,0,0,1|1,0,1]=4 1902 B9R0.58 CCO[Si](C)(C)CC(=O)C 1458a_100000070787_200000065227 [0,1,0,0,0,1|1,1,0]=4 1903 B9R0.27 C/C=C(\C)/C(=O)C(C)CC 1458a_100020587367_100000758301 [0,2,0,0,0,0|2,0,0]=4 1904 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 11a_100000225621_100020587367 [0,2,0,0,0,0|2,0,0]=4 1905 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 1626a_100000225621_100020587367 [0,2,0,0,0,0|2,0,0]=4 1906 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,2,0,0,0,0|1,0,0]=3 1907 B9R0.27 CCN(C)C(=O)C(=O)NC 1626a_100000225621_100011218921 [0,2,0,0,0,0|1,0,0]=3 1908 B9R0.27 CCN(C)C(=O)C(=O)NC 240690a_100000225621_100011218921 [0,2,0,0,0,0|1,0,0]=3 1909 B9R0.27 CCN(C)C(=O)C(=O)NC 527a_100000225621_100011218921 [0,2,0,0,0,0|1,0,0]=3 1910 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [0,2,0,0,0,0|1,0,0]=3 1911 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [0,2,0,0,0,0|1,0,0]=3 1912 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [0,2,0,0,0,0|1,0,0]=3 1913 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [0,2,0,0,0,0|1,0,0]=3 1914 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [0,2,0,0,0,0|2,0,0]=4 1915 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [0,2,0,0,0,0|2,0,0]=4 1916 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,2,0,0,0,0|2,0,0]=4 1917 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,2,0,0,0,0|2,0,0]=4 1918 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,2,0,0,0,0|2,0,0]=4 1919 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,2,0,0,0,0|2,0,0]=4 1920 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,2,0,0,0,0|2,0,0]=4 1921 B9R0.41 C=C(C)C(=O)C(CC)CC 1458a_100000185857_100000210505 [0,2,0,0,0,0|2,0,0]=4 1922 B9R0.41 C=C(C)C(=O)N(CC)CC 11a_100000724800_100000185857 [0,2,0,0,0,0|2,0,0]=4 1923 B9R0.41 C=C(C)C(=O)N(CC)CC 1626a_100000724800_100000185857 [0,2,0,0,0,0|2,0,0]=4 1924 B9R0.41 CCN(CC)C(=O)C(=O)C 1458a_200000187824_200000210301 [0,2,0,0,0,0|1,0,0]=3 1925 B9R0.41 CCN(CC)C(=O)C(=O)N 240690a_100000724800_100011215815 [0,2,0,0,0,0|2,0,0]=4 1926 B9R0.41 CCN(CC)C(=O)C(=O)[13CH3] 1458a_200000187824_200025704644 [0,2,0,0,0,0|1,0,0]=3 1927 B9R0.79 C=C(C)C(=O)N(C)C(C)C 11a_200000211004_100000185857 [0,2,0,0,0,0|2,0,0]=4 1928 B9R0.79 C=C(C)C(=O)N(C)C(C)C 1626a_200000211004_100000185857 [0,2,0,0,0,0|2,0,0]=4 1929 B9R0.79 CC(C)N(C)C(=O)C(=O)N 240690a_200000211004_100011215815 [0,2,0,0,0,0|2,0,0]=4 1930 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [0,2,0,0,0,0|1,0,1]=4 1931 B9R0.8 C#CCCC(=O)C(=O)NC 1458a_100011218921_100000753159 [0,2,0,0,0,0|1,0,1]=4 1932 B9R0.8 C#CCNC(=O)C(=O)NC 1626a_100000212058_100011218921 [0,2,0,0,0,0|1,0,1]=4 1933 B9R0.8 C#CCNC(=O)C(=O)NC 240690a_100000212058_100011218921 [0,2,0,0,0,0|1,0,1]=4 1934 B9R0.8 C#CCNC(=O)C(=O)NC 527a_100000212058_100011218921 [0,2,0,0,0,0|1,0,1]=4 1935 B9R0.8 C#CCNC(=O)C(=O)OC 11a_100000212058_100000024059 [0,2,0,0,0,0|1,0,1]=4 1936 B9R0.8 C#CCNC(=O)C(=O)OC 1626a_100000212058_100000024059 [0,2,0,0,0,0|1,0,1]=4 1937 B9R0.8 C#CCNC(=O)C(=O)OC 240690a_100000212058_100000024059 [0,2,0,0,0,0|1,0,1]=4 1938 B9R0.8 C#CCNC(=O)C(=O)OC 527a_100000212058_100000024059 [0,2,0,0,0,0|1,0,1]=4 1939 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,2,0,0,0,0|2,0,0]=4 1940 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,2,0,0,0,0|2,0,0]=4 1941 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,2,0,0,0,0|2,0,0]=4 1942 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,2,0,0,0,0|2,0,0]=4 1943 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,2,0,0,0,0|2,0,0]=4 1944 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,2,0,0,0,0|2,0,0]=4 1945 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,2,0,0,0,0|2,0,0]=4 1946 B9R0.8 C/C=C(\C)/C(=O)NCCF 11a_100000724931_100020587367 [0,2,0,0,0,0|2,0,0]=4 1947 B9R0.8 C/C=C(\C)/C(=O)NCCF 1626a_100000724931_100020587367 [0,2,0,0,0,0|2,0,0]=4 1948 B9R0.8 C/C=C(\C)/C(=O)NNCC 22a_100000756455_100020587367 [0,2,0,0,0,0|2,0,0]=4 1949 B9R0.8 C/C=C/CC(=O)C(=O)NC 1458a_100011218921_100102629194 [0,2,0,0,0,0|1,0,1]=4 1950 B9R0.8 C=C(CO)C(=O)NNCC 22a_100000756455_200000705526 [0,2,0,0,0,0|2,0,0]=4 1951 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,2,0,0,0,0|1,0,0]=3 1952 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,2,0,0,0,0|1,1,0]=4 1953 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,2,0,0,0,0|1,1,0]=4 1954 B9R0.8 C=CCCC(=O)C(=O)NC 1458a_100011218921_100000754431 [0,2,0,0,0,0|1,0,1]=4 1955 B9R0.8 C=CCNC(=O)C(=O)NC 1626a_100020586998_100011218921 [0,2,0,0,0,0|1,0,1]=4 1956 B9R0.8 C=CCNC(=O)C(=O)NC 240690a_100020586998_100011218921 [0,2,0,0,0,0|1,0,1]=4 1957 B9R0.8 C=CCNC(=O)C(=O)NC 527a_100020586998_100011218921 [0,2,0,0,0,0|1,0,1]=4 1958 B9R0.8 C=CCNC(=O)C(=O)OC 1626a_100020586998_100000024059 [0,2,0,0,0,0|1,0,1]=4 1959 B9R0.8 C=CCNC(=O)C(=O)OC 240690a_100020586998_100000024059 [0,2,0,0,0,0|1,0,1]=4 1960 B9R0.8 C=CCNC(=O)C(=O)OC 527a_100020586998_100000024059 [0,2,0,0,0,0|1,0,1]=4 1961 B9R0.8 CC#CCC(=O)C(=O)NC 1458a_100011218921_100000748600 [0,2,0,0,0,0|1,0,1]=4 1962 B9R0.8 CC=CCC(=O)C(=O)NC 1458a_100011218921_100000070051 [0,2,0,0,0,0|1,0,1]=4 1963 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,2,0,0,0,0|2,0,0]=4 1964 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,2,0,0,0,0|2,0,0]=4 1965 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,2,0,0,0,0|2,0,0]=4 1966 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,2,0,0,0,0|2,0,0]=4 1967 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,2,0,0,0,0|2,0,0]=4 1968 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,2,0,0,0,0|1,0,0]=3 1969 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,2,0,0,0,0|1,0,0]=3 1970 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,2,0,0,0,0|1,0,0]=3 1971 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,2,0,0,0,0|1,0,0]=3 1972 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,2,0,0,0,0|1,0,0]=3 1973 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,2,0,0,0,0|1,0,0]=3 1974 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,2,0,0,0,0|1,0,0]=3 1975 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,2,0,0,0,0|1,0,0]=3 1976 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,2,0,0,0,0|1,0,0]=3 1977 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,2,0,0,0,0|1,0,0]=3 1978 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,2,0,0,0,0|1,0,0]=3 1979 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,2,0,0,0,0|1,0,0]=3 1980 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,2,0,0,0,0|1,0,0]=3 1981 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,2,0,0,0,0|1,0,1]=4 1982 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,2,0,0,0,0|1,0,1]=4 1983 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,2,0,0,0,0|1,0,1]=4 1984 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,2,0,0,0,0|0,0,2]=4 1985 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,2,0,0,0,0|0,0,2]=4 1986 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,2,0,0,0,0|0,0,2]=4 1987 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,2,0,0,0,0|0,0,2]=4 1988 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,2,0,0,0,0|0,0,2]=4 1989 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,2,0,0,0,0|0,1,1]=4 1990 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,2,0,0,0,0|0,1,1]=4 1991 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,2,0,0,0,0|0,1,1]=4 1992 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,2,0,0,0,0|0,1,1]=4 1993 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,2,0,0,0,0|1,0,1]=4 1994 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,2,0,0,0,0|1,0,1]=4 1995 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,2,0,0,0,0|1,0,1]=4 1996 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,2,0,0,0,0|1,0,1]=4 1997 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,2,0,0,0,0|2,0,0]=4 1998 B9R0.8 CCNNC(=O)C(=O)NC 22a_100000756455_100011218921 [0,2,0,0,0,0|1,0,0]=3 1999 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,2,0,0,0,0|0,0,0]=2 2000 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [0,2,0,0,0,0|1,0,1]=4 2001 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,2,0,0,0,0|1,0,1]=4 2002 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 2003 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 2004 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 2005 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,2,0,0,0,0|2,0,0]=4 2006 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 2007 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,2,0,0,0,0|1,0,1]=4 2008 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,2,0,0,0,0|1,0,1]=4 2009 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,2,0,0,0,0|1,0,1]=4 2010 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,2,0,0,0,0|1,0,1]=4 2011 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,2,0,0,0,0|1,0,1]=4 2012 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,2,0,0,0,0|0,1,0]=3 2013 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,2,0,0,0,0|0,1,0]=3 2014 B9R0.8 CNC(=O)C(=O)CCC#N 1458a_100011218921_100011215226 [0,2,0,0,0,0|1,0,1]=4 2015 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,2,0,0,0,0|1,0,0]=3 2016 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,2,0,0,0,0|1,0,0]=3 2017 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,2,0,0,0,0|1,0,0]=3 2018 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,2,0,0,0,0|1,0,0]=3 2019 B9R0.8 CNC(=O)C(=O)NCC#N 1626a_100000734998_100011218921 [0,2,0,0,0,0|1,0,1]=4 2020 B9R0.8 CNC(=O)C(=O)NCC#N 527a_100000734998_100011218921 [0,2,0,0,0,0|1,0,1]=4 2021 B9R0.8 CNC(=O)C(=O)NCCF 1626a_100000724931_100011218921 [0,2,0,0,0,0|1,0,0]=3 2022 B9R0.8 CNC(=O)C(=O)NCCF 240690a_100000724931_100011218921 [0,2,0,0,0,0|1,0,0]=3 2023 B9R0.8 CNC(=O)C(=O)NCCF 527a_100000724931_100011218921 [0,2,0,0,0,0|1,0,0]=3 2024 B9R0.8 CNC(=O)C(=O)NCCO 240690a_100000210304_100011218921 [0,2,0,0,0,0|1,0,0]=3 2025 B9R0.8 CNC(=O)C(=O)NCCO 527a_100000210304_100011218921 [0,2,0,0,0,0|1,0,0]=3 2026 B9R0.8 CNC(=O)C(C)OCCBr 34a_100000211926_100000731044 [0,2,0,0,0,0|1,0,1]=4 2027 B9R0.8 CNC(=O)C(C)OCCN 34a_100000210304_100000731044 [0,2,0,0,0,0|1,0,1]=4 2028 B9R0.8 CNC(=O)C(F)OCCBr 34a_100000211926_100009813575 [0,2,0,0,0,0|1,0,1]=4 2029 B9R0.8 CNC(=O)C(F)OCCN 34a_100000210304_100009813575 [0,2,0,0,0,0|1,0,1]=4 2030 B9R0.8 COC(=O)C(=O)CSCF 62a_100011610305_100015361967 [0,2,0,0,0,0|1,1,0]=4 2031 B9R0.8 COC(=O)C(=O)CSCF 62a_100015361967_100011610305 [0,2,0,0,0,0|1,1,0]=4 2032 B9R0.8 COC(=O)C(=O)NCC#N 1626a_100000734998_100000024059 [0,2,0,0,0,0|1,0,1]=4 2033 B9R0.8 COC(=O)C(=O)NCC#N 527a_100000734998_100000024059 [0,2,0,0,0,0|1,0,1]=4 2034 B9R0.8 COC(=O)C(=O)NCCF 11a_100000724931_100000024059 [0,2,0,0,0,0|1,0,0]=3 2035 B9R0.8 COC(=O)C(=O)NCCF 1626a_100000724931_100000024059 [0,2,0,0,0,0|1,0,0]=3 2036 B9R0.8 COC(=O)C(=O)NCCF 240690a_100000724931_100000024059 [0,2,0,0,0,0|1,0,0]=3 2037 B9R0.8 COC(=O)C(=O)NCCF 527a_100000724931_100000024059 [0,2,0,0,0,0|1,0,0]=3 2038 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,2,0,0,0,0|1,0,0]=3 2039 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,2,0,0,0,0|1,0,0]=3 2040 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,2,0,0,0,0|1,0,1]=4 2041 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,2,0,0,0,0|1,0,1]=4 2042 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,2,0,0,0,0|1,0,1]=4 2043 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,2,0,0,0,0|1,0,1]=4 2044 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,2,0,0,0,0|1,0,1]=4 2045 B9R0.12 CCOC(C=O)C(=O)OC 34a_100121572206_100000046368 [0,2,0,0,0,0|0,0,1]=3 2046 B9R0.12 CCOC(CC)C(=O)CC 34a_200011218131_100000210202 [0,2,0,0,0,0|1,0,1]=4 2047 B9R0.12 CCOC(CC)C(=O)CC 7a_200011218131_100000210202 [0,2,0,0,0,0|1,0,1]=4 2048 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [0,2,0,0,0,0|1,0,1]=4 2049 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [0,2,0,0,0,0|1,0,1]=4 2050 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [0,2,0,0,0,0|1,0,1]=4 2051 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [0,2,0,0,0,0|1,0,1]=4 2052 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [0,2,0,0,0,0|0,0,2]=4 2053 B9R0.12 CCOC(OC)C(=O)OC 34a_100000036821_100000210202 [0,2,0,0,0,0|0,0,2]=4 2054 B9R0.12 CCOC(OC)C(=O)OC 34a_100121572206_100000101307 [0,2,0,0,0,0|0,0,2]=4 2055 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000046368_100000210202 [0,2,0,0,0,0|0,1,1]=4 2056 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000210202_100000046368 [0,2,0,0,0,0|0,1,1]=4 2057 B9R0.19 CCOC(=O)C(C)(C)NC 2230a_106832991635_100011216345 [0,2,0,0,0,0|1,0,1]=4 2058 B9R0.19 CCOC(=O)C(C)(C)NC 7a_106832991635_100011216345 [0,2,0,0,0,0|1,0,1]=4 2059 B9R0.19 CCOC(=O)C(C)(C)OC 34a_100000686869_200000210301 [0,2,0,0,0,0|0,0,2]=4 2060 B9R0.19 CCOC(=O)C(C)(C)OC 7a_100000686869_200000210301 [0,2,0,0,0,0|0,0,2]=4 2061 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 34a_100000686869_200025704644 [0,2,0,0,0,0|0,0,2]=4 2062 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 7a_100000686869_200025704644 [0,2,0,0,0,0|0,0,2]=4 2063 B9R0.19 CCOC(=O)C(C)(C)SC 62a_100011216345_200000210301 [0,2,0,0,0,0|0,1,1]=4 2064 B9R0.19 CCOC(=O)C(C)(C)SC 62a_200000210301_100011216345 [0,2,0,0,0,0|0,1,1]=4 2065 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_100011216345_200025704644 [0,2,0,0,0,0|0,1,1]=4 2066 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_200025704644_100011216345 [0,2,0,0,0,0|0,1,1]=4 2067 B9R0.19 CCOC(=O)C(F)(F)NC 34a_100102657272_100000210910 [0,2,0,0,0,0|1,0,1]=4 2068 B9R0.19 CCOC(=O)C(F)(F)NC 7a_106832991635_100000210910 [0,2,0,0,0,0|1,0,1]=4 2069 B9R0.19 CCOC(=O)C(F)(F)OC 34a_100138415774_100000210910 [0,2,0,0,0,0|1,0,1]=4 2070 B9R0.19 CCOC(=O)C(F)(F)SC 62a_100000210910_200000210301 [0,2,0,0,0,0|1,0,1]=4 2071 B9R0.19 CCOC(=O)C(F)(F)SC 62a_200000210301_100000210910 [0,2,0,0,0,0|1,0,1]=4 2072 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_100000210910_200025704644 [0,2,0,0,0,0|1,0,1]=4 2073 B9R0.19 CCOC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000210910 [0,2,0,0,0,0|1,0,1]=4 2074 B9R0.35 C#CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000184674 [0,2,0,0,0,0|2,0,0]=4 2075 B9R0.35 C#CCC(=O)C(=O)NCC 1458a_200011297158_100000184674 [0,2,0,0,0,0|1,0,0]=3 2076 B9R0.35 C#CCC(=O)C(C)OCC 1458a_100000739345_100000184674 [0,2,0,0,0,0|1,0,1]=4 2077 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,2,0,0,0,0|1,0,0]=3 2078 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,2,0,0,0,0|1,0,0]=3 2079 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,2,0,0,0,0|1,0,0]=3 2080 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,2,0,0,0,0|1,0,0]=3 2081 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,2,0,0,0,0|1,0,0]=3 2082 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,2,0,0,0,0|1,0,0]=3 2083 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,2,0,0,0,0|1,0,0]=3 2084 B9R0.35 C=CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000210623 [0,2,0,0,0,0|2,0,0]=4 2085 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [0,2,0,0,0,0|1,0,0]=3 2086 B9R0.35 C=CCC(=O)C(C)OCC 1458a_100000739345_100000210623 [0,2,0,0,0,0|1,0,1]=4 2087 B9R0.35 CC/C=C(\C)/C(=O)CC#N 1458a_100016988807_100011214920 [0,2,0,0,0,0|2,0,0]=4 2088 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,2,0,0,0,0|2,0,0]=4 2089 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,2,0,0,0,0|2,0,0]=4 2090 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,2,0,0,0,0|2,0,0]=4 2091 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,2,0,0,0,0|2,0,0]=4 2092 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,2,0,0,0,0|2,0,0]=4 2093 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,2,0,0,0,0|2,0,0]=4 2094 B9R0.35 CC/C=C(\C)/C(=O)NNC 22a_100016993582_100016988807 [0,2,0,0,0,0|2,0,0]=4 2095 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,2,0,0,0,0|1,0,1]=4 2096 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,2,0,0,0,0|1,0,0]=3 2097 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,2,0,0,0,0|1,0,1]=4 2098 B9R0.35 CCNC(=O)/C(=N/OC)/C 11a_100015525214_100160996864 [0,2,0,0,0,0|1,0,1]=4 2099 B9R0.35 CCNC(=O)/C(=N/OC)/C 240690a_100015525214_100160996864 [0,2,0,0,0,0|1,0,1]=4 2100 B9R0.35 CCNC(=O)C(=O)CC#N 1458a_200011297158_100011214920 [0,2,0,0,0,0|1,0,0]=3 2101 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,2,0,0,0,0|1,0,0]=3 2102 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,2,0,0,0,0|1,0,0]=3 2103 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,2,0,0,0,0|1,0,0]=3 2104 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,2,0,0,0,0|1,0,0]=3 2105 B9R0.35 CCNC(=O)C(=O)NNC 22a_100016993582_200011297158 [0,2,0,0,0,0|1,0,0]=3 2106 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,2,0,0,0,0|0,0,0]=2 2107 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,2,0,0,0,0|0,0,0]=2 2108 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,2,0,0,0,0|1,0,1]=4 2109 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,2,0,0,0,0|1,0,1]=4 2110 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,2,0,0,0,0|1,0,1]=4 2111 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,2,0,0,0,0|1,0,1]=4 2112 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,2,0,0,0,0|1,0,1]=4 2113 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,2,0,0,0,0|1,0,1]=4 2114 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,2,0,0,0,0|0,0,0]=2 2115 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,2,0,0,0,0|0,0,0]=2 2116 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,2,0,0,0,0|0,0,0]=2 2117 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,2,0,0,0,0|0,0,0]=2 2118 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,2,0,0,0,0|0,0,2]=4 2119 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,2,0,0,0,0|0,1,1]=4 2120 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,2,0,0,0,0|0,1,1]=4 2121 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [0,2,0,0,0,0|0,1,1]=4 2122 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [0,2,0,0,0,0|0,1,1]=4 2123 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,2,0,0,0,0|1,0,1]=4 2124 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,2,0,0,0,0|1,0,1]=4 2125 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,2,0,0,0,0|1,0,1]=4 2126 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [0,2,0,0,0,0|1,0,1]=4 2127 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [0,2,0,0,0,0|1,0,1]=4 2128 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,2,0,0,0,0|0,0,2]=4 2129 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [0,2,0,0,0,0|0,0,2]=4 2130 B9R0.35 CCOC(C)C(=O)CC#N 1458a_100000739345_100011214920 [0,2,0,0,0,0|1,0,1]=4 2131 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,2,0,0,0,0|1,0,1]=4 2132 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,2,0,0,0,0|1,0,1]=4 2133 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [0,2,0,0,0,0|1,0,1]=4 2134 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [0,2,0,0,0,0|0,0,1]=3 2135 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [0,2,0,0,0,0|0,0,1]=3 2136 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [0,2,0,0,0,0|0,0,1]=3 2137 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [0,2,0,0,0,0|0,0,1]=3 2138 B9R0.37 CCOC(=O)C(CC)NC 2230a_106832991635_100000212269 [0,2,0,0,0,0|1,0,1]=4 2139 B9R0.37 CCOC(=O)C(CC)NC 34a_100102657272_100000212269 [0,2,0,0,0,0|1,0,1]=4 2140 B9R0.37 CCOC(=O)C(CC)NC 7a_106832991635_100000212269 [0,2,0,0,0,0|1,0,1]=4 2141 B9R0.37 CCOC(=O)C(CC)OC 34a_100011216719_200000210301 [0,2,0,0,0,0|0,0,2]=4 2142 B9R0.37 CCOC(=O)C(CC)OC 34a_100138415774_100000212269 [0,2,0,0,0,0|0,0,2]=4 2143 B9R0.37 CCOC(=O)C(CC)OC 7a_100011216719_200000210301 [0,2,0,0,0,0|0,0,2]=4 2144 B9R0.37 CCOC(=O)C(CC)O[13CH3] 34a_100011216719_200025704644 [0,2,0,0,0,0|0,0,2]=4 2145 B9R0.37 CCOC(=O)C(CC)O[13CH3] 7a_100011216719_200025704644 [0,2,0,0,0,0|0,0,2]=4 2146 B9R0.37 CCOC(=O)C(CC)SC 62a_100000212269_200000210301 [0,2,0,0,0,0|0,1,1]=4 2147 B9R0.37 CCOC(=O)C(CC)SC 62a_200000210301_100000212269 [0,2,0,0,0,0|0,1,1]=4 2148 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_100000212269_200025704644 [0,2,0,0,0,0|0,1,1]=4 2149 B9R0.37 CCOC(=O)C(CC)S[13CH3] 62a_200025704644_100000212269 [0,2,0,0,0,0|0,1,1]=4 2150 B9R0.37 CCOC(=O)C(NC)SC 34a_100102657272_100009893047 [0,2,0,0,0,0|0,1,1]=4 2151 B9R0.37 CCOC(=O)C(OC)SC 34a_100138415774_100009893047 [0,2,0,0,0,0|0,0,2]=4 2152 B9R0.37 CCOC(=O)C(SC)SC 62a_100009893047_200000210301 [0,2,0,0,0,0|0,1,1]=4 2153 B9R0.37 CCOC(=O)C(SC)SC 62a_200000210301_100009893047 [0,2,0,0,0,0|0,1,1]=4 2154 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_100009893047_200025704644 [0,2,0,0,0,0|0,1,1]=4 2155 B9R0.37 CCOC(=O)C(SC)S[13CH3] 62a_200025704644_100009893047 [0,2,0,0,0,0|0,1,1]=4 2156 B9R0.60 CCOC(C)(C)C(=O)CC 1458a_100011458965_100000210202 [0,2,0,0,0,0|1,0,1]=4 2157 B9R0.60 CCOC(C)(C)C(=O)CF 1458a_100011458965_100015361967 [0,2,0,0,0,0|1,0,1]=4 2158 B9R0.60 CCOC(C)(C)C(=O)NC 11a_106832991635_100011458965 [0,2,0,0,0,0|1,0,1]=4 2159 B9R0.60 CCOC(C)(C)C(=O)NC 1626a_100102657272_100011458965 [0,2,0,0,0,0|1,0,1]=4 2160 B9R0.60 CCOC(C)(C)C(=O)NC 240690a_100102657272_100011458965 [0,2,0,0,0,0|1,0,1]=4 2161 B9R0.60 CCOC(C)(C)C(=O)NC 34a_100121572206_100000732697 [0,2,0,0,0,0|1,0,1]=4 2162 B9R0.60 CCOC(C)(C)C(=O)NC 527a_100102657272_100011458965 [0,2,0,0,0,0|1,0,1]=4 2163 B9R0.60 CCOC(C)(C)C(=O)OC 34a_100011217581_100000210202 [0,2,0,0,0,0|1,0,1]=4 2164 B9R0.60 CCOC(C)(C)C(=O)OC 7a_100011217581_100000210202 [0,2,0,0,0,0|1,0,1]=4 2165 B9R0.60 CCOC(C)(F)C(=O)OC 34a_100121572206_200009867631 [0,2,0,0,0,0|1,0,1]=4 2166 B9R0.60 CCOC(F)(F)C(=O)OC 34a_100121572206_100000211177 [0,2,0,0,0,0|1,0,1]=4 2167 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_100000032063_200025704644 [0,2,0,0,0,0|1,0,1]=4 2168 B9R0.3 CC(C)(C)C(=O)OCS[13CH3] 62a_200025704644_100000032063 [0,2,0,0,0,0|1,0,1]=4 2169 B9R0.3 CCOCC(=O)C(C)(C)C 34a_100121572206_100000229897 [0,2,0,0,0,0|1,0,1]=4 2170 B9R0.3 CCOCC(=O)C(C)(C)C 34a_200011592769_100000210202 [0,2,0,0,0,0|1,0,1]=4 2171 B9R0.3 CCOCC(=O)C(C)(C)C 7a_200011592769_100000210202 [0,2,0,0,0,0|1,0,1]=4 2172 B9R0.3 CSCOC(=O)C(C)(C)C 62a_100000032063_200000210301 [0,2,0,0,0,0|1,0,1]=4 2173 B9R0.3 CSCOC(=O)C(C)(C)C 62a_200000210301_100000032063 [0,2,0,0,0,0|1,0,1]=4 2174 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,2,0,0,0,0|2,0,0]=4 2175 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,2,0,0,0,0|2,0,0]=4 2176 B9R0.7 C=C(C)C(=O)NCC(=O)C 1458a_100000076187_200000210301 [0,2,0,0,0,0|2,0,0]=4 2177 B9R0.7 C=C(C)C(=O)NCC(=O)[13CH3] 1458a_100000076187_200025704644 [0,2,0,0,0,0|2,0,0]=4 2178 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,2,0,0,0,0|2,0,0]=4 2179 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,2,0,0,0,0|2,0,0]=4 2180 B9R0.7 C=C(C)C(=O)NCC(C)O 11a_100000210904_100000185857 [0,2,0,0,0,0|2,0,0]=4 2181 B9R0.7 C=C(C)C(=O)NCC(F)F 11a_100000765723_100000185857 [0,2,0,0,0,0|2,0,0]=4 2182 B9R0.7 C=C(C)C(=O)NCC(F)F 1626a_100000765723_100000185857 [0,2,0,0,0,0|2,0,0]=4 2183 B9R0.7 C=C(C)C(=O)NNC(C)C 22a_100000741168_100000185857 [0,2,0,0,0,0|2,0,0]=4 2184 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,2,0,0,0,0|2,0,0]=4 2185 B9R0.7 C=C(C)CNC(=O)C(=C)C 11a_100000765925_100000185857 [0,2,0,0,0,0|2,0,0]=4 2186 B9R0.7 C=C(C)CNC(=O)C(=C)C 1626a_100000765925_100000185857 [0,2,0,0,0,0|2,0,0]=4 2187 B9R0.7 C=C(C)CNC(=O)C(=O)N 240690a_100000765925_100011215815 [0,2,0,0,0,0|2,0,0]=4 2188 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [0,2,0,0,0,0|1,0,1]=4 2189 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,2,0,0,0,0|1,0,0]=3 2190 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,2,0,0,0,0|0,0,0]=2 2191 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,2,0,0,0,0|0,1,0]=3 2192 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,2,0,0,0,0|0,1,0]=3 2193 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,2,0,0,0,0|1,0,0]=3 2194 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,2,0,0,0,0|1,0,1]=4 2195 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,2,0,0,0,0|1,0,1]=4 2196 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,2,0,0,0,0|1,0,1]=4 2197 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,2,0,0,0,0|1,0,1]=4 2198 B9R0.7 CC(=O)C(C)OCC(F)F 34a_100000212229_100011934356 [0,2,0,0,0,0|1,0,1]=4 2199 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,2,0,0,0,0|1,0,1]=4 2200 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,2,0,0,0,0|1,0,1]=4 2201 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,2,0,0,0,0|2,0,0]=4 2202 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,2,0,0,0,0|1,0,0]=3 2203 B9R0.7 CC(C)NNC(=O)C(=O)N 22a_100000741168_100011215815 [0,2,0,0,0,0|2,0,0]=4 2204 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [0,2,0,0,0,0|1,0,1]=4 2205 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [0,2,0,0,0,0|1,0,1]=4 2206 B9R0.7 CC(C)OCC(=O)N(C)C 11a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 2207 B9R0.7 CC(C)OCC(=O)N(C)C 1626a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 2208 B9R0.7 CC(C)OCC(=O)N(C)C 240690a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 2209 B9R0.7 CC(C)OCC(=O)N(C)C 34a_100000212225_100000692301 [0,2,0,0,0,0|2,0,0]=4 2210 B9R0.7 CC(C)OCC(=O)N(C)C 527a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 2211 B9R0.7 CC(O)CNC(=O)C(=O)N 240690a_100000210904_100011215815 [0,2,0,0,0,0|2,0,0]=4 2212 B9R0.7 NC(=O)C(=O)NCC(F)F 240690a_100000765723_100011215815 [0,2,0,0,0,0|2,0,0]=4 2213 B9R0.42 C#CC(C)NC(=O)C(=C)C 11a_100000707721_100000185857 [0,2,0,0,0,0|2,0,0]=4 2214 B9R0.42 C#CC(C)NC(=O)C(=C)C 1626a_100000707721_100000185857 [0,2,0,0,0,0|2,0,0]=4 2215 B9R0.42 C#CC(C)NC(=O)C(=O)N 240690a_100000707721_100011215815 [0,2,0,0,0,0|2,0,0]=4 2216 B9R0.42 C#CC(C)OC(C)C(=O)C 34a_100000212229_200000035995 [0,2,0,0,0,0|1,0,1]=4 2217 B9R0.42 C#C[C@@H](C)OC(C)C(=O)C 7a_100009815206_100000179758 [0,2,0,0,0,0|1,0,1]=4 2218 B9R0.42 C=C(C)C(=O)CC(=O)CC 1458a_100000185857_100000747405 [0,2,0,0,0,0|2,0,0]=4 2219 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,2,0,0,0,0|2,0,0]=4 2220 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [0,2,0,0,0,0|2,0,0]=4 2221 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,2,0,0,0,0|2,0,0]=4 2222 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,2,0,0,0,0|2,0,0]=4 2223 B9R0.42 C=C(C)C(=O)NC(C)C#N 11a_100000737613_100000185857 [0,2,0,0,0,0|2,0,0]=4 2224 B9R0.42 C=C(C)C(=O)NC(C)C#N 1626a_100000737613_100000185857 [0,2,0,0,0,0|2,0,0]=4 2225 B9R0.42 C=C(C)C(=O)NC(C)CC 11a_100000209981_100000185857 [0,2,0,0,0,0|2,0,0]=4 2226 B9R0.42 C=C(C)C(=O)NC(C)CC 1626a_100000209981_100000185857 [0,2,0,0,0,0|2,0,0]=4 2227 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 11a_100102880703_100000185857 [0,2,0,0,0,0|2,0,0]=4 2228 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000185857 [0,2,0,0,0,0|2,0,0]=4 2229 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [0,2,0,0,0,0|1,0,1]=4 2230 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [0,2,0,0,0,0|1,0,1]=4 2231 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,2,0,0,0,0|1,0,1]=4 2232 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,2,0,0,0,0|1,0,0]=3 2233 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,2,0,0,0,0|1,0,0]=3 2234 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,2,0,0,0,0|2,0,0]=4 2235 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,2,0,0,0,0|1,0,0]=3 2236 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,2,0,0,0,0|1,0,1]=4 2237 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,2,0,0,0,0|1,0,1]=4 2238 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,2,0,0,0,0|1,0,0]=3 2239 B9R0.42 C[C@H](CF)NC(=O)C(=O)N 240690a_100102880703_100011215815 [0,2,0,0,0,0|2,0,0]=4 2240 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [0,2,0,0,0,0|2,0,0]=4 2241 B9R0.47 C#CCCCC(=O)C(=C)C 1458a_100000185857_100000731252 [0,2,0,0,0,0|2,0,0]=4 2242 B9R0.47 C#CCCNC(=O)C(=C)C 11a_100000755551_100000185857 [0,2,0,0,0,0|2,0,0]=4 2243 B9R0.47 C#CCCNC(=O)C(=C)C 1626a_100000755551_100000185857 [0,2,0,0,0,0|2,0,0]=4 2244 B9R0.47 C#CCCNC(=O)C(=O)N 240690a_100000755551_100011215815 [0,2,0,0,0,0|2,0,0]=4 2245 B9R0.47 C#CCCOC(C)C(=O)C 34a_100000212229_100000688953 [0,2,0,0,0,0|1,0,1]=4 2246 B9R0.47 C#CCNCC(=O)C(=O)C 34a_100000212058_100011261029 [0,2,0,0,0,0|1,0,1]=4 2247 B9R0.47 C#CCOCC(=O)C(=O)C 34a_100000210247_100011261029 [0,2,0,0,0,0|0,0,1]=3 2248 B9R0.47 C#CCSCC(=O)C(=O)C 62a_100000038162_100011261029 [0,2,0,0,0,0|0,1,1]=4 2249 B9R0.47 C/C=C/COC(C)C(=O)C 34a_100000212229_100102629194 [0,2,0,0,0,0|1,0,1]=4 2250 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,2,0,0,0,0|2,0,0]=4 2251 B9R0.47 C=C(C)C(=O)CC#CCC 1458a_100000185857_100009813939 [0,2,0,0,0,0|2,0,0]=4 2252 B9R0.47 C=C(C)C(=O)CCCC#N 1458a_100000185857_100000211468 [0,2,0,0,0,0|2,0,0]=4 2253 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,2,0,0,0,0|2,0,0]=4 2254 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,2,0,0,0,0|2,0,0]=4 2255 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,2,0,0,0,0|2,0,0]=4 2256 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,2,0,0,0,0|2,0,0]=4 2257 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,2,0,0,0,0|1,0,0]=3 2258 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,2,0,0,0,0|1,1,0]=4 2259 B9R0.47 C=C(C)C(=O)NCC#CC 11a_100000685387_100000185857 [0,2,0,0,0,0|2,0,0]=4 2260 B9R0.47 C=C(C)C(=O)NCC#CC 1626a_100000685387_100000185857 [0,2,0,0,0,0|2,0,0]=4 2261 B9R0.47 C=C(C)C(=O)NCCC#N 11a_100000720768_100000185857 [0,2,0,0,0,0|2,0,0]=4 2262 B9R0.47 C=C(C)C(=O)NCCC#N 1626a_100000720768_100000185857 [0,2,0,0,0,0|2,0,0]=4 2263 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,2,0,0,0,0|2,0,0]=4 2264 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,2,0,0,0,0|2,0,0]=4 2265 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,2,0,0,0,0|2,0,0]=4 2266 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,2,0,0,0,0|2,0,0]=4 2267 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,2,0,0,0,0|2,0,0]=4 2268 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,2,0,0,0,0|2,0,0]=4 2269 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,2,0,0,0,0|2,0,0]=4 2270 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,2,0,0,0,0|2,0,0]=4 2271 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,2,0,0,0,0|2,0,0]=4 2272 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,2,0,0,0,0|2,0,0]=4 2273 B9R0.47 C=C(C)C(=O)NNCCO 22a_100000210001_100000185857 [0,2,0,0,0,0|2,0,0]=4 2274 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,2,0,0,0,0|1,0,0]=3 2275 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,2,0,0,0,0|1,0,0]=3 2276 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,2,0,0,0,0|1,0,0]=3 2277 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,2,0,0,0,0|1,0,0]=3 2278 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,2,0,0,0,0|1,0,0]=3 2279 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,2,0,0,0,0|1,0,0]=3 2280 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,2,0,0,0,0|1,0,0]=3 2281 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,2,0,0,0,0|1,0,0]=3 2282 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,2,0,0,0,0|2,0,0]=4 2283 B9R0.47 C=CCCNC(=O)C(=C)C 11a_100015191253_100000185857 [0,2,0,0,0,0|2,0,0]=4 2284 B9R0.47 C=CCCNC(=O)C(=C)C 1626a_100015191253_100000185857 [0,2,0,0,0,0|2,0,0]=4 2285 B9R0.47 C=CCCNC(=O)C(=O)N 240690a_100015191253_100011215815 [0,2,0,0,0,0|2,0,0]=4 2286 B9R0.47 C=CCCOC(C)C(=O)C 34a_100000212229_100000754431 [0,2,0,0,0,0|1,0,1]=4 2287 B9R0.47 C=CCOCC(=O)C(=O)C 34a_200000210373_100011261029 [0,2,0,0,0,0|0,0,1]=3 2288 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100000210623_100011261029 [0,2,0,0,0,0|0,1,1]=4 2289 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100011261029_100000210623 [0,2,0,0,0,0|0,1,1]=4 2290 B9R0.47 CC#CCOC(C)C(=O)C 34a_100000212229_100000748600 [0,2,0,0,0,0|1,0,1]=4 2291 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,2,0,0,0,0|1,0,0]=3 2292 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,2,0,0,0,0|1,0,0]=3 2293 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,2,0,0,0,0|0,0,0]=2 2294 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,2,0,0,0,0|0,0,0]=2 2295 B9R0.47 CC(=O)C(=O)CSCC#N 62a_100011215382_100011261029 [0,2,0,0,0,0|0,1,1]=4 2296 B9R0.47 CC(=O)C(=O)CSCC#N 62a_100011261029_100011215382 [0,2,0,0,0,0|0,1,1]=4 2297 B9R0.47 CC(=O)C(=O)CSCC=O 62a_100011261029_200015260668 [0,2,0,0,0,0|0,1,1]=4 2298 B9R0.47 CC(=O)C(=O)CSCC=O 62a_200015260668_100011261029 [0,2,0,0,0,0|0,1,1]=4 2299 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,2,0,0,0,0|0,1,0]=3 2300 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,2,0,0,0,0|0,1,0]=3 2301 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,2,0,0,0,0|0,1,0]=3 2302 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,2,0,0,0,0|0,1,0]=3 2303 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,2,0,0,0,0|1,0,1]=4 2304 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,2,0,0,0,0|1,0,1]=4 2305 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,2,0,0,0,0|1,0,1]=4 2306 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,2,0,0,0,0|1,0,1]=4 2307 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,2,0,0,0,0|1,0,1]=4 2308 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,2,0,0,0,0|1,0,1]=4 2309 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,2,0,0,0,0|1,0,1]=4 2310 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,2,0,0,0,0|1,0,1]=4 2311 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,2,0,0,0,0|1,0,1]=4 2312 B9R0.47 CC(C)C(=O)OCSCF 62a_100000139345_100015361967 [0,2,0,0,0,0|1,0,1]=4 2313 B9R0.47 CC(C)C(=O)OCSCF 62a_100015361967_100000139345 [0,2,0,0,0,0|1,0,1]=4 2314 B9R0.47 CC=CCOC(C)C(=O)C 34a_100000212229_100000070051 [0,2,0,0,0,0|1,0,1]=4 2315 B9R0.47 CCC=NNC(=O)C(=O)N 4a_100000211141_100000210100 [0,2,0,0,0,0|2,0,0]=4 2316 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,2,0,0,0,0|2,0,0]=4 2317 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,2,0,0,0,0|1,0,1]=4 2318 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,2,0,0,0,0|1,0,1]=4 2319 B9R0.47 CCCNNC(=O)C(=O)N 22a_100000740057_100011215815 [0,2,0,0,0,0|2,0,0]=4 2320 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,2,0,0,0,0|0,0,0]=2 2321 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,2,0,0,0,0|1,0,1]=4 2322 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,2,0,0,0,0|1,0,1]=4 2323 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 2324 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 2325 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 2326 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,2,0,0,0,0|2,0,0]=4 2327 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 2328 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,2,0,0,0,0|1,0,1]=4 2329 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,2,0,0,0,0|1,0,1]=4 2330 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,2,0,0,0,0|0,1,0]=3 2331 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,2,0,0,0,0|0,1,0]=3 2332 B9R0.47 CCOC=CC(=O)C(C)C 1458a_100016266692_100000210206 [0,2,0,0,0,0|1,0,1]=4 2333 B9R0.47 CCOC=CC(=O)N(C)C 11a_100102631434_100016266692 [0,2,0,0,0,0|2,0,0]=4 2334 B9R0.47 CCOC=CC(=O)N(C)C 1626a_100102631434_100016266692 [0,2,0,0,0,0|2,0,0]=4 2335 B9R0.47 CCOC=CC(=O)N(C)C 240690a_100102631434_100016266692 [0,2,0,0,0,0|2,0,0]=4 2336 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,2,0,0,0,0|1,0,1]=4 2337 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,2,0,0,0,0|1,0,1]=4 2338 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,2,0,0,0,0|1,0,1]=4 2339 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,2,0,0,0,0|2,0,0]=4 2340 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,2,0,0,0,0|2,0,0]=4 2341 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,2,0,0,0,0|2,0,0]=4 2342 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,2,0,0,0,0|2,0,0]=4 2343 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,2,0,0,0,0|2,0,0]=4 2344 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,2,0,0,0,0|0,0,2]=4 2345 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,2,0,0,0,0|0,0,2]=4 2346 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [0,2,0,0,0,0|1,0,1]=4 2347 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [0,2,0,0,0,0|1,0,1]=4 2348 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,2,0,0,0,0|1,0,1]=4 2349 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,2,0,0,0,0|1,0,1]=4 2350 B9R0.47 CN(C)C(=O)COCCBr 34a_100000211926_100000692301 [0,2,0,0,0,0|2,0,0]=4 2351 B9R0.47 CN(C)C(=O)COCCN 34a_100000210304_100000692301 [0,2,0,0,0,0|2,0,0]=4 2352 B9R0.47 CN(C)C(=O)COCCO 1626a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 2353 B9R0.47 CN(C)C(=O)COCCO 240690a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 2354 B9R0.47 COCCNC(=O)C(=O)N 240690a_100000209980_100011215815 [0,2,0,0,0,0|2,0,0]=4 2355 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,2,0,0,0,0|1,0,1]=4 2356 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,2,0,0,0,0|0,1,0]=3 2357 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,2,0,0,0,0|0,1,0]=3 2358 B9R0.47 CSCCNC(=O)C(=O)N 240690a_100020590264_100011215815 [0,2,0,0,0,0|2,0,0]=4 2359 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,2,0,0,0,0|1,0,1]=4 2360 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,2,0,0,0,0|1,0,1]=4 2361 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,2,0,0,0,0|1,0,1]=4 2362 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,2,0,0,0,0|0,1,0]=3 2363 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,2,0,0,0,0|0,1,0]=3 2364 B9R0.47 N#CCCNC(=O)C(=O)N 240690a_100000720768_100011215815 [0,2,0,0,0,0|2,0,0]=4 2365 B9R0.47 NC(=O)C(=O)NCCCF 240690a_100015189416_100011215815 [0,2,0,0,0,0|2,0,0]=4 2366 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [0,2,0,0,0,0|2,0,0]=4 2367 B9R0.47 NC(=O)C(=O)NNCCO 22a_100000210001_100011215815 [0,2,0,0,0,0|2,0,0]=4 2368 B9R0.51 CC(=O)C(C)(C)OCCF 34a_100000747739_100011217306 [0,2,0,0,0,0|1,0,1]=4 2369 B9R0.51 CC(=O)C(C)(C)OCCF 7a_100000747739_100011217306 [0,2,0,0,0,0|1,0,1]=4 2370 B9R0.51 CC(=O)C(C)(C)OCCO 34a_100000747739_100000211926 [0,2,0,0,0,0|1,0,1]=4 2371 B9R0.51 CC(=O)C(C)(C)OCCO 7a_100000747739_100000211926 [0,2,0,0,0,0|1,0,1]=4 2372 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [0,2,0,0,0,0|1,0,1]=4 2373 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [0,2,0,0,0,0|1,0,1]=4 2374 B9R0.51 CSCOC(C)(C)C(=O)C 34a_100000747739_100011218213 [0,2,0,0,0,0|1,0,1]=4 2375 B9R0.11 CC(=O)C(C)(C)OC(C)C 34a_100000747739_100000210206 [0,2,0,0,0,0|1,0,1]=4 2376 B9R0.11 CC(=O)C(C)(C)OC(C)C 7a_100000747739_100000210206 [0,2,0,0,0,0|1,0,1]=4 2377 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [0,2,0,0,0,0|0,0,2]=4 2378 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [0,2,0,0,0,0|0,0,2]=4 2379 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210202_100000210371 [0,2,0,0,0,0|0,1,1]=4 2380 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210371_100000210202 [0,2,0,0,0,0|0,1,1]=4 2381 B9R0.39 CC(=O)/C(=C/C(C)C)/C#N 1458a_200042966509_200000210301 [0,2,0,0,0,0|2,0,0]=4 2382 B9R0.39 CC(C)/C=C(\C#N)/C(=O)[13CH3] 1458a_200042966509_200025704644 [0,2,0,0,0,0|2,0,0]=4 2383 B9R0.57 C=C(C)C(=O)NC(C)(C)C 11a_100000715429_100000185857 [0,2,0,0,0,0|2,0,0]=4 2384 B9R0.57 C=C(C)C(=O)NC(C)(C)C 1626a_100000715429_100000185857 [0,2,0,0,0,0|2,0,0]=4 2385 B9R0.57 CC(=O)C(=O)NC(C)(C)C 1458a_100000238687_200000210301 [0,2,0,0,0,0|1,0,0]=3 2386 B9R0.57 CC(=O)C(C)OC(C)(C)C 34a_100000212229_100000210625 [0,2,0,0,0,0|1,0,1]=4 2387 B9R0.57 CC(=O)C(C)OC(C)(C)C 7a_100015890283_100000179758 [0,2,0,0,0,0|1,0,1]=4 2388 B9R0.57 CC(C)(C)NC(=O)C(=O)N 240690a_100000715429_100011215815 [0,2,0,0,0,0|2,0,0]=4 2389 B9R0.57 CC(C)(C)NC(=O)C(=O)[13CH3] 1458a_100000238687_200025704644 [0,2,0,0,0,0|1,0,0]=3 2390 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|1,0,1]=4 2391 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [1,0,0,1,0,0|2,0,0]=4 2392 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 2393 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 2394 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 2395 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,1]=4 2396 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,1]=4 2397 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|1,0,1]=4 2398 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|1,0,1]=4 2399 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|0,0,2]=4 2400 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 2401 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 2402 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|2,0,0]=4 2403 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|1,0,1]=4 2404 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|0,0,2]=4 2405 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [1,0,0,1,0,0|1,0,1]=4 2406 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [1,0,0,1,0,0|1,0,1]=4 2407 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [1,0,0,1,0,0|0,0,2]=4 2408 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [1,0,0,1,0,0|1,0,1]=4 2409 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [1,0,0,1,0,0|1,0,1]=4 2410 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [1,0,0,1,0,0|0,0,2]=4 2411 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|1,0,1]=4 2412 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|1,0,1]=4 2413 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 2414 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 2415 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|2,0,0]=4 2416 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|1,0,1]=4 2417 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,1|1,0,1]=4 2418 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,0,1,0,1|2,0,0]=4 2419 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,1,0,1|2,0,0]=4 2420 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,1,0,1|1,0,1]=4 2421 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,0,0,1,0,1|0,0,2]=4 2422 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,0,1,0,1|2,0,0]=4 2423 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,1,0,1|2,0,0]=4 2424 B9R1.22 CNC1CC(=O)NC1=O 2230a_100102712934_200000210301 [0,0,0,1,0,1|2,0,0]=4 2425 B9R1.22 [13CH3]NC1CC(=O)NC1=O 2230a_100102712934_200025704644 [0,0,0,1,0,1|2,0,0]=4 2426 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,0,1,0,1|1,0,0]=3 2427 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,0,0,1,0,1|0,0,0]=2 2428 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,0,0,1,0,1|2,0,0]=4 2429 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,0,0,1,0,1|2,0,0]=4 2430 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [0,0,0,1,0,1|2,0,0]=4 2431 B9R1.137 CC(=CC(=O)[13CH3])C1CC1 1458a_100000742917_200025704644 [0,0,0,1,0,1|2,0,0]=4 2432 B9R1.137 CC(=O)C=C(C)C1CC1 1458a_100000742917_200000210301 [0,0,0,1,0,1|2,0,0]=4 2433 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,0,0,1,0,1|1,0,0]=3 2434 B9R1.137 NC(=O)CC(=O)C1CC1 1458a_100000210395_100000187820 [0,0,0,1,0,1|2,0,0]=4 2435 B9R1.137 O=C([O-])CC(=O)C1CC1 1458a_100000210395_100020667443 [0,0,0,1,0,1|2,0,0]=4 2436 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,1,0,1,0,0|2,0,0]=4 2437 B9R1.110 C=C(C)C(=O)C1COC1 1458a_100000185857_100000687716 [0,1,0,1,0,0|2,0,0]=4 2438 B9R1.110 C=C(C)C(=O)N1CCC1 11a_100000754969_100000185857 [0,1,0,1,0,0|2,0,0]=4 2439 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [0,1,0,1,0,0|1,0,1]=4 2440 B9R1.110 CN(C)C(=O)C1CCO1 11a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 2441 B9R1.110 CN(C)C(=O)C1CCO1 1626a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 2442 B9R1.110 CN(C)C(=O)C1CCO1 240690a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 2443 B9R1.110 CN(C)C(=O)C1CCO1 527a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 2444 B9R1.110 NC(=O)C(=O)N1CCC1 240690a_100000754969_100011215815 [0,1,0,1,0,0|2,0,0]=4 2445 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,1,0,0|2,0,0]=4 2446 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,1,0,0|1,0,1]=4 2447 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,1,0,0|2,0,0]=4 2448 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,1,0,0|2,0,0]=4 2449 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,1,0,0|2,0,0]=4 2450 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,1,0,0|1,0,1]=4 2451 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,1,0,0|1,0,1]=4 2452 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,1,0,0|1,0,1]=4 2453 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,1,0,0|1,0,1]=4 2454 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,1,0,1,0,0|2,0,0]=4 2455 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,1,0,0|1,0,1]=4 2456 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,1,0,1,0,0|1,0,1]=4 2457 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,1,0,1,0,0|1,0,1]=4 2458 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,1,0,1,0,0|1,0,1]=4 2459 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,1,0,1,0,0|1,0,1]=4 2460 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,1,0,1,0,0|2,0,0]=4 2461 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,1,0,1,0,0|1,0,0]=3 2462 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,1,0,1,0,0|1,0,0]=3 2463 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,1,0,1,0,0|0,0,1]=3 2464 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,1,0,1,0,0|1,0,1]=4 2465 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,1,0,1,0,0|1,0,1]=4 2466 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,1,0,1,0,0|1,0,1]=4 2467 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,1,0,1,0,0|0,0,2]=4 2468 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,1,0,1,0,0|2,0,0]=4 2469 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,1,0,1,0,0|2,0,0]=4 2470 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,1,0,1,0,0|2,0,0]=4 2471 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,1,0,1,0,0|1,0,0]=3 2472 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,1,0,1,0,0|1,0,0]=3 2473 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,1,0,1,0,0|0,0,1]=3 2474 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,1,0,1,0,0|1,0,1]=4 2475 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,1,0,1,0,0|1,0,1]=4 2476 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,1,0,1,0,0|0,0,2]=4 2477 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,1,0,1,0,0|1,0,0]=3 2478 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,1,0,1,0,0|1,0,0]=3 2479 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,1,0,1,0,0|1,0,0]=3 2480 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,1,0,1,0,0|1,0,0]=3 2481 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,1,0,1,0,0|1,0,0]=3 2482 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,1,0,1,0,0|1,0,1]=4 2483 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,1,0,1,0,0|1,0,1]=4 2484 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,1,0,1,0,0|1,0,1]=4 2485 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,1,0,1,0,0|1,0,1]=4 2486 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,1,0,1,0,0|1,0,1]=4 2487 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [0,1,0,1,0,0|1,0,1]=4 2488 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [0,1,0,1,0,0|1,0,1]=4 2489 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [0,1,0,1,0,0|1,0,1]=4 2490 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [0,1,0,1,0,0|1,0,1]=4 2491 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [0,1,0,1,0,0|1,0,1]=4 2492 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [0,1,0,1,0,0|1,0,1]=4 2493 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [0,1,0,1,0,0|1,0,1]=4 2494 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,1,0,1,0,0|2,0,0]=4 2495 B9R1.112 C=C(C)C(=O)CC1CO1 1458a_100000185857_100011216344 [0,1,0,1,0,0|2,0,0]=4 2496 B9R1.112 C=C(C)C(=O)CC1CS1 1458a_100000185857_100000031435 [0,1,0,1,0,0|2,0,0]=4 2497 B9R1.112 C=C(C)C(=O)C[C@@H]1CO1 1458a_100000185857_100000745022 [0,1,0,1,0,0|2,0,0]=4 2498 B9R1.112 C=C(C)C(=O)NC1CC1 1626a_100000212008_100000185857 [0,1,0,1,0,0|2,0,0]=4 2499 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,1,0,1,0,0|1,0,0]=3 2500 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,1,0,1,0,0|1,0,1]=4 2501 B9R1.112 NC(=O)C(=O)NC1CC1 240690a_100000212008_100011215815 [0,1,0,1,0,0|2,0,0]=4 2502 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,1,0,1,0,0|1,0,0]=3 2503 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,1,0,0|1,0,1]=4 2504 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,1,0,0|1,0,1]=4 2505 B9R1.179 CCOC1(CC1)C(=O)C 1458a_100011094191_200000210301 [0,1,0,1,0,0|1,0,1]=4 2506 B9R1.179 CCOC1(CC1)C(=O)[13CH3] 1458a_100011094191_200025704644 [0,1,0,1,0,0|1,0,1]=4 2507 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,1,0,1,0,0|1,0,1]=4 2508 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,0,0,0,0,2|2,0,0]=4 2509 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,0,0,0,0,2|2,0,0]=4 2510 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,0,0,0,0,2|2,0,0]=4 2511 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,0,0,0,0,2|2,0,0]=4 2512 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,0,0,0,0,2|2,0,0]=4 2513 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,0,0,0,0,2|2,0,0]=4 2514 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,0,0,0,0,2|2,0,0]=4 2515 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,0,0,0,0,2|2,0,0]=4 2516 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,0,0,0,0,2|2,0,0]=4 2517 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,0,0,0,0,2|2,0,0]=4 2518 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,0,0,0,0,2|2,0,0]=4 2519 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,0,0,0,0,2|2,0,0]=4 2520 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,0,0,0,0,2|2,0,0]=4 2521 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,0,0,0,0,2|2,0,0]=4 2522 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,0,0,0,0,2|2,0,0]=4 2523 B9R0.48 CC#CC(=O)NNC(=O)C 22a_100000189765_100000763181 [0,0,0,0,0,2|1,0,1]=4 2524 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [0,0,0,0,0,2|2,0,0]=4 2525 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,0,0,0,0,2|2,0,0]=4 2526 B9R0.48 CC(=O)NNC(=O)CCO 22a_100000189765_100011216618 [0,0,0,0,0,2|2,0,0]=4 2527 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_100000181415_200025704644 [0,0,0,0,0,2|2,0,0]=4 2528 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_200025704644_100000181415 [0,0,0,0,0,2|2,0,0]=4 2529 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,0,0,0,0,2|2,0,0]=4 2530 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,0,0,0,0,2|2,0,0]=4 2531 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,0,0,0,0,2|2,0,0]=4 2532 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,0,0,0,0,2|2,0,0]=4 2533 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [0,0,0,0,0,2|2,0,0]=4 2534 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,0,0,0,0,2|2,0,0]=4 2535 B9R0.48 CC=CC(=O)NNC(=O)C 22a_100000189765_100000210699 [0,0,0,0,0,2|1,0,1]=4 2536 B9R0.48 CCCC(=NNC(=O)C)C 4a_100000189765_100000211909 [0,0,0,0,0,2|2,0,0]=4 2537 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,0,0,0,0,2|2,0,0]=4 2538 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,0,0,0,0,2|2,0,0]=4 2539 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,0,0,0,0,2|2,0,0]=4 2540 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,0,0,0,0,2|1,0,0]=3 2541 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,0,0,0,0,2|2,0,0]=4 2542 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,0,0,0,0,2|1,0,0]=3 2543 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,0,0,0,0,2|1,0,0]=3 2544 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,0,0,0,0,2|2,0,0]=4 2545 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,0,0,0,0,2|2,0,0]=4 2546 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,0,0,0,0,2|2,0,0]=4 2547 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,0,0,0,0,2|1,0,0]=3 2548 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,0,0,0,0,2|1,0,0]=3 2549 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,0,0,0,0,2|1,0,0]=3 2550 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,0,0,0,0,2|2,0,0]=4 2551 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,0,0,0,0,2|2,0,0]=4 2552 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,0,0,0,0,2|2,0,0]=4 2553 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,0,0,0,0,2|1,0,0]=3 2554 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,0,0,0,0,2|2,0,0]=4 2555 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,0,0,0,0,2|2,0,0]=4 2556 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,0,0,0,0,2|1,0,0]=3 2557 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,0,0,0,0,2|1,0,0]=3 2558 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,0,0,0,0,2|1,0,0]=3 2559 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,0,0,0,0,2|1,0,0]=3 2560 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,0,0,0,0,2|1,0,0]=3 2561 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,0,0,0,0,2|1,0,0]=3 2562 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,0,0,0,0,2|1,0,0]=3 2563 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,0,0,0,0,2|1,0,0]=3 2564 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,0,0,0,0,2|2,0,0]=4 2565 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,0,0,0,0,2|2,0,0]=4 2566 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,0,0,0,0,2|1,0,0]=3 2567 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,0,0,0,0,2|1,0,0]=3 2568 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,0,0,0,0,2|1,0,0]=3 2569 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,0,0,0,0,2|1,0,0]=3 2570 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,0,0,0,0,2|2,0,0]=4 2571 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,0,0,0,0,2|2,0,0]=4 2572 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,0,0,0,0,2|2,0,0]=4 2573 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,0,0,0,0,2|2,0,0]=4 2574 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,0,0,0,0,2|2,0,0]=4 2575 B9R0.48 CCNC(=O)NNC(=O)C 273464a_100015525214_100000189765 [0,0,0,0,0,2|1,0,0]=3 2576 B9R0.48 CCNC(=O)NNC(=O)C 512a_100000189765_100015525214 [0,0,0,0,0,2|1,0,0]=3 2577 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,0,0,0,0,2|0,0,0]=2 2578 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,0,0,0,0,2|0,0,0]=2 2579 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,0,0,0,2|0,0,0]=2 2580 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,0,0,0,2|0,0,0]=2 2581 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,0,0,0,0,2|2,0,0]=4 2582 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,0,0,0,0,2|2,0,0]=4 2583 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,0,0,0,0,2|2,0,0]=4 2584 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,0,0,0,0,2|2,0,0]=4 2585 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,0,0,0,0,2|2,0,0]=4 2586 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,0,0,0,0,2|2,0,0]=4 2587 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,0,0,0,0,2|0,0,0]=2 2588 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,0,0,0,0,2|1,0,1]=4 2589 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,0,0,0,0,2|1,0,1]=4 2590 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,0,0,0,0,2|1,0,1]=4 2591 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,0,0,0,0,2|1,0,1]=4 2592 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,0,0,0,0,2|1,0,1]=4 2593 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,0,0,0,0,2|0,0,0]=2 2594 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,0,0,0,0,2|0,0,0]=2 2595 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,0,0,0,0,2|2,0,0]=4 2596 B9R0.48 CNCC(=O)NNC(=O)C 2230a_106832991635_100000181415 [0,0,0,0,0,2|2,0,0]=4 2597 B9R0.48 CNCC(=O)NNC(=O)C 7a_106832991635_100000181415 [0,0,0,0,0,2|2,0,0]=4 2598 B9R0.48 CNNC(=O)CNC(=O)C 22a_100016993582_100000194580 [0,0,0,0,0,2|2,0,0]=4 2599 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [0,0,0,0,0,2|2,0,0]=4 2600 B9R0.48 CNNC(=O)NNC(=O)C 512a_100000189765_100016993582 [0,0,0,0,0,2|2,0,0]=4 2601 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,0,0,0,0,2|2,0,0]=4 2602 B9R0.48 COCC(=O)NNC(=O)C 22a_100000189765_100000210968 [0,0,0,0,0,2|2,0,0]=4 2603 B9R0.48 COCC(=O)NNC(=O)C 22a_100000216845_100000070787 [0,0,0,0,0,2|2,0,0]=4 2604 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,0,0,0,0,2|2,0,0]=4 2605 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,0,0,0,0,2|2,0,0]=4 2606 B9R0.48 CSCC(=O)NNC(=O)C 22a_100000189765_100000184570 [0,0,0,0,0,2|2,0,0]=4 2607 B9R0.48 CSCC(=O)NNC(=O)C 62a_100000181415_200000210301 [0,0,0,0,0,2|2,0,0]=4 2608 B9R0.48 CSCC(=O)NNC(=O)C 62a_200000210301_100000181415 [0,0,0,0,0,2|2,0,0]=4