0 B9R1.23 C=Cc1nc(c(s1)C)C 271570a_100011290941_100000765934 [0,0,0,0,0,0|0,0,4]=4 1 B9R1.23 CCc1nc(c(s1)O)C 271570a_203496583355_100010138847 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.23 CNc1nc(c(s1)C)C 27a_100102657272_100000765934 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.23 CSc1cc(c(s1)C)C 62a_100009850898_200000210301 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.23 CSc1cc(c(s1)C)C 62a_200000210301_100009850898 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.23 CSc1cn(c(n1)C)C 62a_100000684932_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.23 CSc1cn(c(n1)C)C 62a_200000210301_100000684932 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.23 CSc1nc(c(s1)C)C 62a_100000765934_200000210301 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.23 CSc1nc(c(s1)C)C 62a_200000210301_100000765934 [0,0,0,0,0,0|1,0,2]=3 9 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_100009850898_200025704644 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_200025704644_100009850898 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_100000684932_200025704644 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_200025704644_100000684932 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_100000765934_200025704644 [0,0,0,0,0,0|1,0,2]=3 14 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_200025704644_100000765934 [0,0,0,0,0,0|1,0,2]=3 15 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [1,0,0,0,0,0|1,1,1]=4 16 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.1 CNc1nc(ns1)C 27a_100102657272_100000709739 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.1 CSc1nc(ns1)C 62a_100000709739_200000210301 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.1 CSc1nc(ns1)C 62a_200000210301_100000709739 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [1,0,0,0,0,0|1,0,2]=4 23 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [1,0,0,0,0,0|1,0,2]=4 24 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [1,0,0,0,0,0|1,0,2]=4 25 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [1,0,0,0,0,0|1,0,2]=4 26 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [1,0,0,0,0,0|1,0,2]=4 27 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [1,0,0,0,0,0|1,0,2]=4 28 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_100000709739_200025704644 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_200025704644_100000709739 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [1,0,0,0,0,0|1,0,2]=4 31 B8R1.18 Cc1nc(c(s1)O)C 271570a_203496583355_100009814099 [1,0,0,0,0,0|1,0,2]=4 32 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [1,0,0,0,0,0|1,0,2]=4 33 B10R1.35 C=Cc1sc(nc1C)CC 271570a_100011290941_100010138847 [0,1,0,0,0,0|0,0,3]=4 34 B10R1.35 CCc1nc(c(s1)SC)C 62a_100010138847_200000210301 [0,1,0,0,0,0|0,0,2]=3 35 B10R1.35 CCc1nc(c(s1)SC)C 62a_200000210301_100010138847 [0,1,0,0,0,0|0,0,2]=3 36 B10R1.35 CCc1nc(c(s1)S[13CH3])C 62a_100010138847_200025704644 [0,1,0,0,0,0|0,0,2]=3 37 B10R1.35 CCc1nc(c(s1)S[13CH3])C 62a_200025704644_100010138847 [0,1,0,0,0,0|0,0,2]=3 38 B10R1.35 CSc1nc(c(s1)C)CO 62a_100010127906_200000210301 [0,1,0,0,0,0|1,0,2]=4 39 B10R1.35 CSc1nc(c(s1)C)CO 62a_200000210301_100010127906 [0,1,0,0,0,0|1,0,2]=4 40 B10R1.35 CSc1nc(c(s1)CO)C 62a_100010264302_200000210301 [0,1,0,0,0,0|1,0,2]=4 41 B10R1.35 CSc1nc(c(s1)CO)C 62a_200000210301_100010264302 [0,1,0,0,0,0|1,0,2]=4 42 B10R1.35 Cc1nc(sc1CO)S[13CH3] 62a_100010264302_200025704644 [0,1,0,0,0,0|1,0,2]=4 43 B10R1.35 Cc1nc(sc1CO)S[13CH3] 62a_200025704644_100010264302 [0,1,0,0,0,0|1,0,2]=4 44 B10R1.35 Cc1sc(nc1CO)S[13CH3] 62a_100010127906_200025704644 [0,1,0,0,0,0|1,0,2]=4 45 B10R1.35 Cc1sc(nc1CO)S[13CH3] 62a_200025704644_100010127906 [0,1,0,0,0,0|1,0,2]=4 46 B10R1.58 C=C(C)c1nc(c(s1)C)C 271570a_100000694244_100000765934 [0,1,0,0,0,0|0,0,3]=4 47 B10R1.58 Cc1nc(sc1C)N(C)C 27a_100102631434_100000765934 [0,1,0,0,0,0|1,0,2]=4 48 B10R1.131 CC=Cc1nc(c(s1)C)C 271570a_100016259895_100000765934 [0,1,0,0,0,0|0,0,3]=4 49 B10R1.131 CCNc1nc(c(s1)C)C 27a_100015525214_100000765934 [0,1,0,0,0,0|0,0,2]=3 50 B10R1.131 CCSc1cc(c(s1)C)C 62a_100000210202_100009850898 [0,1,0,0,0,0|1,0,2]=4 51 B10R1.131 CCSc1cc(c(s1)C)C 62a_100009850898_100000210202 [0,1,0,0,0,0|1,0,2]=4 52 B10R1.131 CCSc1cn(c(n1)C)C 62a_100000210202_100000684932 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.131 CCSc1cn(c(n1)C)C 62a_100000684932_100000210202 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.131 CCSc1nc(c(s1)C)C 62a_100000210202_100000765934 [0,1,0,0,0,0|0,0,2]=3 55 B10R1.131 CCSc1nc(c(s1)C)C 62a_100000765934_100000210202 [0,1,0,0,0,0|0,0,2]=3 56 B10R1.131 CNCc1cc(c(s1)C)C 207a_100102657272_100011830369 [0,1,0,0,0,0|1,0,2]=4 57 B10R1.131 CNCc1cc(c(s1)C)C 270004a_106832991635_100011830369 [0,1,0,0,0,0|1,0,2]=4 58 B10R1.131 CNCc1nc(c(s1)C)C 207a_100102657272_100011775437 [0,1,0,0,0,0|0,0,2]=3 59 B10R1.131 CNCc1nc(c(s1)C)C 2230a_106832991635_100012347604 [0,1,0,0,0,0|0,0,2]=3 60 B10R1.131 CNCc1nc(c(s1)C)C 270004a_106832991635_100011775437 [0,1,0,0,0,0|0,0,2]=3 61 B10R1.131 CNCc1nc(c(s1)C)C 34a_100102657272_100012347604 [0,1,0,0,0,0|0,0,2]=3 62 B10R1.131 CNCc1nc(c(s1)C)C 7a_106832991635_100012347604 [0,1,0,0,0,0|0,0,2]=3 63 B10R1.131 COCc1nc(c(s1)C)C 34a_100138415774_100012347604 [0,1,0,0,0,0|0,0,2]=3 64 B10R1.131 COCc1nc(c(s1)C)C 7a_100000760949_200000210301 [0,1,0,0,0,0|0,0,2]=3 65 B10R1.131 CSCc1nc(c(s1)C)C 62a_100000763442_200000210301 [0,1,0,0,0,0|0,0,2]=3 66 B10R1.131 CSCc1nc(c(s1)C)C 62a_200000210301_100012347604 [0,1,0,0,0,0|0,0,2]=3 67 B10R1.131 Cc1nc(sc1C)CO[13CH3] 7a_100000760949_200025704644 [0,1,0,0,0,0|0,0,2]=3 68 B10R1.131 Cc1nc(sc1C)CS[13CH3] 62a_100000763442_200025704644 [0,1,0,0,0,0|0,0,2]=3 69 B10R1.131 Cc1nc(sc1C)CS[13CH3] 62a_200025704644_100012347604 [0,1,0,0,0,0|0,0,2]=3 70 B10R1.131 Cc1nc(sc1C)SCF 62a_100000765934_100015361967 [0,1,0,0,0,0|1,0,2]=4 71 B10R1.131 Cc1nc(sc1C)SCF 62a_100015361967_100000765934 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.8 C#CCSC(C)C(=O)C 62a_100000038162_100009814033 [0,0,1,0,0,0|1,0,2]=4 73 B8R0.8 C=C(C)C(=NNCC)C 4a_100000756455_100011216138 [0,0,1,0,0,0|2,0,1]=4 74 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,0,1,0,0,0|2,0,0]=3 75 B8R0.8 C=C(C)C(C)NCCF 269862a_100000724931_100011216138 [0,0,1,0,0,0|3,0,0]=4 76 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,0,1,0,0,0|3,0,0]=4 77 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [0,0,1,0,0,0|1,0,2]=4 78 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [0,0,1,0,0,0|1,0,2]=4 79 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [0,0,1,0,0,0|1,0,2]=4 80 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [0,0,1,0,0,0|1,0,2]=4 81 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,0,1,0,0,0|3,0,0]=4 82 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,0,1,0,0,0|2,1,0]=4 83 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,0,1,0,0,0|2,1,0]=4 84 B8R0.8 CC(=O)C(C)SCC#N 62a_100009814033_100011215382 [0,0,1,0,0,0|2,0,1]=4 85 B8R0.8 CC(=O)C(C)SCC#N 62a_100011215382_100009814033 [0,0,1,0,0,0|2,0,1]=4 86 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,0,1,0,0,0|2,0,1]=4 87 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,0,1,0,0,0|2,0,1]=4 88 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,0,1,0,0,0|2,0,0]=3 89 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,0,1,0,0,0|2,0,0]=3 90 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,0,1,0,0,0|2,0,0]=3 91 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,0,1,0,0,0|2,0,0]=3 92 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,0,1,0,0,0|2,0,1]=4 93 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,0,1,0,0,0|2,0,1]=4 94 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,0,1,0,0,0|2,0,1]=4 95 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,0,1,0,0,0|2,0,1]=4 96 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,0,1,0,0,0|1,1,1]=4 97 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,0,1,0,0,0|1,1,1]=4 98 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,0,1,0,0,0|3,0,0]=4 99 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,0,1,0,0,0|3,0,0]=4 100 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,0,1,0,0,0|3,0,0]=4 101 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,0,1,0,0,0|2,1,0]=4 102 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,0,1,0,0,0|2,1,0]=4 103 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,1,0,0,0|2,0,0]=3 104 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,1,0,0,0|2,0,0]=3 105 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,1,0,0,0|2,0,0]=3 106 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,0,1,0,0,0|3,0,0]=4 107 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,0,1,0,0,0|3,0,0]=4 108 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,0,1,0,0,0|3,0,0]=4 109 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,0,1,0,0,0|3,0,0]=4 110 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,0,1,0,0,0|3,0,0]=4 111 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,0,1,0,0,0|3,0,0]=4 112 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,0,1,0,0,0|3,0,0]=4 113 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,0,1,0,0,0|3,0,0]=4 114 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,0,1,0,0,0|3,0,0]=4 115 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [0,0,1,0,0,0|3,0,0]=4 116 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [0,0,1,0,0,0|3,0,0]=4 117 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [0,0,1,0,0,0|3,0,0]=4 118 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [0,0,1,0,0,0|3,0,0]=4 119 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [0,0,1,0,0,0|3,0,0]=4 120 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [0,0,1,0,0,0|3,0,0]=4 121 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [0,0,1,0,0,0|3,0,0]=4 122 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,0,1,0,0,0|2,0,1]=4 123 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,0,1,0,0,0|2,0,1]=4 124 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,0,1,0,0,0|2,0,1]=4 125 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,0,1,0,0,0|2,0,1]=4 126 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,0,1,0,0,0|2,0,1]=4 127 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,0,1,0,0,0|2,0,1]=4 128 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,0,1,0,0,0|2,0,1]=4 129 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,0,1,0,0,0|2,0,1]=4 130 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,0,1,0,0,0|1,1,1]=4 131 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,0,1,0,0,0|1,1,1]=4 132 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,0,1,0,0,0|1,1,1]=4 133 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,0,1,0,0,0|1,0,2]=4 134 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,0,1,0,0,0|3,0,0]=4 135 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,0,1,0,0,0|2,0,1]=4 136 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,0,1,0,0,0|2,0,1]=4 137 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,0,1,0,0,0|1,1,0]=3 138 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,0,1,0,0,0|1,1,1]=4 139 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,0,1,0,0,0|1,1,1]=4 140 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,0,1,0,0,0|2,1,0]=4 141 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,0,1,0,0,0|1,1,1]=4 142 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,0,1,0,0,0|1,1,1]=4 143 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,0,1,0,0,0|1,0,0]=2 144 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,0,1,0,0,0|1,0,0]=2 145 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,0,1,0,0,0|1,0,1]=3 146 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,0,1,0,0,0|1,0,1]=3 147 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,0,1,0,0,0|2,0,1]=4 148 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,0,1,0,0,0|2,0,1]=4 149 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,0,1,0,0,0|3,0,0]=4 150 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,0,1,0,0,0|3,0,0]=4 151 B8R0.8 CCNN=C(C)C(C)C 4a_100000756455_100000211110 [0,0,1,0,0,0|2,0,0]=3 152 B8R0.8 CCNN=C(C)C(C)O 4a_100000756455_100000212229 [0,0,1,0,0,0|1,1,0]=3 153 B8R0.8 CCNN=C(C)C(F)F 4a_100000756455_100000764096 [0,0,1,0,0,0|3,0,0]=4 154 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,0,1,0,0,0|3,0,0]=4 155 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,0,1,0,0,0|3,0,0]=4 156 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,0,1,0,0,0|2,0,0]=3 157 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,0,1,0,0,0|2,0,0]=3 158 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,0,1,0,0,0|2,0,1]=4 159 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,0,1,0,0,0|2,0,1]=4 160 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,0,1,0,0,0|2,1,0]=4 161 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,0,1,0,0,0|2,0,0]=3 162 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,0,1,0,0,0|2,0,0]=3 163 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,0,1,0,0,0|2,0,1]=4 164 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,0,1,0,0,0|2,0,1]=4 165 B8R0.19 C#CC(C)SC(C)CC 62a_200000035995_100000758301 [0,0,1,0,0,0|1,0,2]=4 166 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [0,0,1,0,0,0|1,1,1]=4 167 B8R0.19 C=CC(C)SC(C)CC 62a_100011215867_100000758301 [0,0,1,0,0,0|1,0,1]=3 168 B8R0.19 C=CC(C)SC(C)OC 62a_100011215867_100009879195 [0,0,1,0,0,0|2,0,1]=4 169 B8R0.19 C=CC(C)S[C@H](C)CO 62a_100011215867_100016084084 [0,0,1,0,0,0|2,0,1]=4 170 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,0,1,0,0,0|1,1,1]=4 171 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,0,1,0,0,0|3,0,0]=4 172 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,0,1,0,0,0|3,0,0]=4 173 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,0,1,0,0,0|2,1,0]=4 174 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,0,1,0,0,0|2,1,0]=4 175 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,0,1,0,0,0|3,0,0]=4 176 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,0,1,0,0,0|2,0,1]=4 177 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,0,1,0,0,0|2,0,1]=4 178 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,0,1,0,0,0|2,0,1]=4 179 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,0,1,0,0,0|2,0,1]=4 180 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,0,1,0,0,0|3,0,0]=4 181 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,0,1,0,0,0|3,0,0]=4 182 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,0,1,0,0,0|3,0,0]=4 183 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [0,0,1,0,0,0|3,0,0]=4 184 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [0,0,1,0,0,0|3,0,0]=4 185 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [0,0,1,0,0,0|3,0,0]=4 186 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [0,0,1,0,0,0|3,0,0]=4 187 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [0,0,1,0,0,0|1,0,2]=4 188 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,0,1,0,0,0|1,1,1]=4 189 B8R0.19 CCC(C)SC(C)C#N 62a_100000703298_100000758301 [0,0,1,0,0,0|2,0,1]=4 190 B8R0.19 CCC(C)SC(C)C#N 62a_100000758301_100000703298 [0,0,1,0,0,0|2,0,1]=4 191 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [0,0,1,0,0,0|1,0,1]=3 192 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,0,1,0,0,0|2,0,1]=4 193 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,0,1,0,0,0|2,0,0]=3 194 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,0,1,0,0,0|2,0,0]=3 195 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,0,1,0,0,0|2,0,1]=4 196 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,0,1,0,0,0|2,0,1]=4 197 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [0,0,1,0,0,0|2,1,0]=4 198 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [0,0,1,0,0,0|2,1,0]=4 199 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [0,0,1,0,0,0|2,1,0]=4 200 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [0,0,1,0,0,0|2,1,0]=4 201 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [0,0,1,0,0,0|2,1,0]=4 202 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [0,0,1,0,0,0|2,1,0]=4 203 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [0,0,1,0,0,0|3,0,0]=4 204 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [0,0,1,0,0,0|3,0,0]=4 205 B8R0.19 COC(C)SC(C)CO 62a_100012180447_100009879195 [0,0,1,0,0,0|3,0,0]=4 206 B8R0.19 COC(C)SC(C)OC 62a_100009879195_100009879195 [0,0,1,0,0,0|3,0,0]=4 207 B8R0.19 COC(C)S[C@H](C)CO 62a_100009879195_100016084084 [0,0,1,0,0,0|3,0,0]=4 208 B8R0.19 COC(C)S[C@H](C)CO 62a_100016084084_100009879195 [0,0,1,0,0,0|3,0,0]=4 209 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [0,0,1,0,0,0|3,0,0]=4 210 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [0,0,1,0,0,0|3,0,0]=4 211 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [0,0,1,0,0,0|3,0,0]=4 212 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [0,0,1,0,0,0|3,0,0]=4 213 B8R0.22 CC#CC(CC)OCC 34a_200011219922_100000210202 [0,0,1,0,0,0|1,1,1]=4 214 B8R0.22 CC#CC(CC)OCC 7a_200011219922_100000210202 [0,0,1,0,0,0|1,1,1]=4 215 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [0,0,1,0,0,0|1,0,2]=4 216 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [0,0,1,0,0,0|1,0,2]=4 217 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,0,1,0,0,0|1,1,1]=4 218 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,0,1,0,0,0|1,1,1]=4 219 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [0,0,1,0,0,0|1,0,1]=3 220 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [0,0,1,0,0,0|1,0,1]=3 221 B8R0.22 CCCC(CC)SCF 62a_100011219200_100015361967 [0,0,1,0,0,0|2,0,1]=4 222 B8R0.22 CCCC(CC)SCF 62a_100015361967_100011219200 [0,0,1,0,0,0|2,0,1]=4 223 B8R0.22 CCNC(CC)COC 2230a_100000757820_100000210202 [0,0,1,0,0,0|3,0,0]=4 224 B8R0.22 CCNC(CC)COC 270004a_100015525214_100000757811 [0,0,1,0,0,0|3,0,0]=4 225 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [0,0,1,0,0,0|2,1,0]=4 226 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [0,0,1,0,0,0|2,1,0]=4 227 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [0,0,1,0,0,0|2,1,0]=4 228 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [0,0,1,0,0,0|2,1,0]=4 229 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [0,0,1,0,0,0|2,1,0]=4 230 B10R1.176 CCC1CCC(N(C1)C)C 2230a_100011219223_200000210301 [0,0,0,0,0,1|3,0,0]=4 231 B10R1.176 CCC1CCC(N(C1)C)C 269982a_100011219223_200000210301 [0,0,0,0,0,1|3,0,0]=4 232 B10R1.176 CCC1CCC(N(C1)C)C 34a_100011219223_200000210301 [0,0,0,0,0,1|3,0,0]=4 233 B10R1.176 CCC1CCC(N(C1)[13CH3])C 2230a_100011219223_200025704644 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.176 CCC1CCC(N(C1)[13CH3])C 269982a_100011219223_200025704644 [0,0,0,0,0,1|3,0,0]=4 235 B10R1.176 CCC1CCC(N(C1)[13CH3])C 34a_100011219223_200025704644 [0,0,0,0,0,1|3,0,0]=4 236 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [1,0,1,0,0,0|0,0,2]=4 237 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,0,1,0,0,0|0,1,1]=4 238 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,0,1,0,0,0|0,0,1]=3 239 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [1,0,1,0,0,0|1,0,1]=4 240 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [1,0,1,0,0,0|1,0,1]=4 241 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [1,0,1,0,0,0|1,0,1]=4 242 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [1,0,1,0,0,0|1,0,1]=4 243 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [1,0,1,0,0,0|1,0,1]=4 244 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [1,0,1,0,0,0|1,0,1]=4 245 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,0,1,0,0,0|2,0,0]=4 246 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,0,1,0,0,0|2,0,0]=4 247 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [1,0,1,0,0,0|1,0,1]=4 248 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [1,0,1,0,0,0|1,0,1]=4 249 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,0,1,0,0,0|1,0,1]=4 250 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,0,1,0,0,0|1,0,1]=4 251 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [1,0,1,0,0,0|1,0,1]=4 252 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [1,0,1,0,0,0|1,0,1]=4 253 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [1,0,1,0,0,0|1,0,1]=4 254 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [1,0,1,0,0,0|1,0,1]=4 255 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,1,0,0,0|2,0,0]=4 256 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,1,0,0,0|2,0,0]=4 257 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,1,0,0,0|2,0,0]=4 258 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,1,0,0,0|2,0,0]=4 259 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,1,0,0,0|2,0,0]=4 260 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,1,0,0,0|2,0,0]=4 261 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,1,0,0,0|2,0,0]=4 262 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,1,0,0,0|2,0,0]=4 263 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,1,0,0,0|2,0,0]=4 264 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,1,0,0,0|2,0,0]=4 265 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,1,0,0,0|2,0,0]=4 266 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,1,0,0,0|2,0,0]=4 267 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,1,0,0,0|2,0,0]=4 268 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,1,0,0,0|2,0,0]=4 269 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,1,0,0,0|2,0,0]=4 270 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,1,0,0,0|2,0,0]=4 271 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,1,0,0,0|2,0,0]=4 272 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,1,0,0,0|2,0,0]=4 273 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,1,0,0,0|2,0,0]=4 274 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,1,0,0,0|2,0,0]=4 275 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,1,0,0,0|2,0,0]=4 276 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,1,0,0,0|2,0,0]=4 277 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,1,0,0,0|2,0,0]=4 278 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,1,0,0,0|2,0,0]=4 279 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,1,0,0,0|2,0,0]=4 280 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 281 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 282 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 283 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,1,0,0,0|1,0,1]=4 284 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,0,1,0,0,0|0,0,2]=4 285 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,0,1,0,0,0|0,1,1]=4 286 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,0,1,0,0,0|0,1,1]=4 287 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [1,0,1,0,0,0|0,0,2]=4 288 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [1,0,1,0,0,0|0,0,2]=4 289 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,0,1,0,0,0|0,0,1]=3 290 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,0,1,0,0,0|0,0,1]=3 291 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,0,1,0,0,0|1,0,1]=4 292 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,0,1,0,0,0|1,0,0]=3 293 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,0,1,0,0,0|1,0,0]=3 294 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,0,1,0,0,0|1,0,1]=4 295 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,0,1,0,0,0|1,0,1]=4 296 B7R0.3 CCNN=C(C)CF 4a_100000756455_100000039719 [1,0,1,0,0,0|2,0,0]=4 297 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [1,0,1,0,0,0|1,1,0]=4 298 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [1,0,1,0,0,0|2,0,0]=4 299 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [1,0,1,0,0,0|2,0,0]=4 300 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [1,0,1,0,0,0|2,0,0]=4 301 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [1,0,1,0,0,0|2,0,0]=4 303 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [1,0,1,0,0,0|2,0,0]=4 304 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [1,0,1,0,0,0|2,0,0]=4 305 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [1,0,1,0,0,0|2,0,0]=4 306 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,1,0,0,0|1,1,0]=4 307 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,1,0,0,0|1,1,0]=4 308 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,1,0,0,0|1,0,0]=3 309 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,1,0,0,0|1,0,0]=3 310 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [1,0,1,0,0,0|2,0,0]=4 311 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [1,0,1,0,0,0|2,0,0]=4 312 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,0,1,0,0,0|2,0,0]=4 313 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,0,1,0,0,0|2,0,0]=4 314 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [1,0,1,0,0,0|2,0,0]=4 315 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [1,0,1,0,0,0|2,0,0]=4 316 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [1,0,1,0,0,0|2,0,0]=4 317 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [1,0,1,0,0,0|2,0,0]=4 318 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,0,1,0,0,0|1,0,1]=4 319 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,0,1,0,0,0|1,0,1]=4 320 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,1,0,0,0|2,0,0]=4 321 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,1,0,0,0|2,0,0]=4 322 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,1,0,0,0|2,0,0]=4 323 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,1,0,0,0|1,1,0]=4 324 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,1,0,0,0|1,1,0]=4 325 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,1,0,0,0|1,1,0]=4 326 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,1,0,0,0|1,0,0]=3 327 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,1,0,0,0|1,0,1]=4 328 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,1,0,0,0|1,0,1]=4 329 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,1,0,0,0|1,0,0]=3 330 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,1,0,0,0|2,0,0]=4 331 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,1,0,0,0|2,0,0]=4 332 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,1,0,0,0|1,0,1]=4 333 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,1,0,0,0|1,0,1]=4 334 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,1,0,0,0|1,0,1]=4 335 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,1,0,0,0|1,0,1]=4 336 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,1,0,0,0|1,0,1]=4 337 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,1,0,0,0|1,0,1]=4 338 B7R0.4 CCNN=CC(C)C 4a_100000756455_100000210432 [1,0,1,0,0,0|2,0,0]=4 339 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [1,0,1,0,0,0|2,0,0]=4 340 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,1,0,0,0|2,0,0]=4 341 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,0,1,0,0,0|2,0,0]=4 342 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,0,1,0,0,0|2,0,0]=4 343 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [1,0,1,0,0,0|2,0,0]=4 344 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [1,0,1,0,0,0|2,0,0]=4 345 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,1,0,0,0|2,0,0]=4 346 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,1,0,0,0|2,0,0]=4 347 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,0,1,0,0,0|2,0,0]=4 348 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,1,0,0,0|1,1,0]=4 349 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,1,0,0,0|1,1,0]=4 350 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,1,0,0,0|1,0,0]=3 351 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,1,0,0,0|1,0,0]=3 352 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,1,0,0,0|1,0,0]=3 353 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [1,0,1,0,0,0|2,0,0]=4 354 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [1,0,1,0,0,0|2,0,0]=4 355 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [1,0,1,0,0,0|2,0,0]=4 356 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 357 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 358 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 359 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,1,0,0,0|2,0,0]=4 360 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [1,0,1,0,0,0|2,0,0]=4 361 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [1,0,1,0,0,0|2,0,0]=4 362 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [1,0,1,0,0,0|2,0,0]=4 363 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [1,0,1,0,0,0|2,0,0]=4 364 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [1,0,1,0,0,0|2,0,0]=4 365 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [1,0,1,0,0,0|2,0,0]=4 366 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [1,0,1,0,0,0|2,0,0]=4 367 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,1,0,0,0|2,0,0]=4 368 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,1,0,0,0|2,0,0]=4 369 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,1,0,0,0|2,0,0]=4 370 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,1,0,0,0|1,1,0]=4 371 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,1,0,0,0|1,1,0]=4 372 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,1,0,0,0|1,1,0]=4 373 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,1,0,0,0|1,0,0]=3 374 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,1,0,0,0|1,0,0]=3 375 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,1,0,0,0|1,0,0]=3 376 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,0,1,0,0,0|1,0,1]=4 377 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,0,1,0,0,0|1,0,1]=4 378 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,1,0,0,0|1,0,0]=3 379 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,0,1,0,0,0|2,0,0]=4 380 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,0,1,0,0,0|2,0,0]=4 381 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,0,1,0,0,0|2,0,0]=4 382 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,0,1,0,0,0|2,0,0]=4 383 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,0,1,0,0,0|2,0,0]=4 384 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,1,0,0,0|2,0,0]=4 385 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,1,0,0,0|2,0,0]=4 386 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [1,0,1,0,0,0|1,0,1]=4 387 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [1,0,1,0,0,0|2,0,0]=4 388 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [1,0,1,0,0,0|2,0,0]=4 389 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [1,0,1,0,0,0|2,0,0]=4 390 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [1,0,1,0,0,0|2,0,0]=4 391 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [1,0,1,0,0,0|2,0,0]=4 392 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [1,0,1,0,0,0|2,0,0]=4 393 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,0,1,0,0,0|1,1,0]=4 394 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,0,1,0,0,0|1,1,0]=4 395 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [1,0,1,0,0,0|1,0,0]=3 396 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [1,0,1,0,0,0|1,0,0]=3 397 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [1,0,1,0,0,0|2,0,0]=4 398 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [1,0,1,0,0,0|2,0,0]=4 399 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,0,1,0,0,0|1,1,0]=4 400 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,0,1,0,0,0|1,0,1]=4 401 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,0,1,0,0,0|1,0,1]=4 402 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [1,0,1,0,0,0|2,0,0]=4 403 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [1,0,1,0,0,0|2,0,0]=4 404 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,0,1,0,0,0|0,1,1]=4 405 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,0,1,0,0,0|0,1,1]=4 406 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [1,0,1,0,0,0|2,0,0]=4 407 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [1,0,1,0,0,0|2,0,0]=4 408 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [1,0,1,0,0,0|2,0,0]=4 409 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [1,0,1,0,0,0|2,0,0]=4 410 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [1,0,1,0,0,0|2,0,0]=4 411 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [1,0,1,0,0,0|2,0,0]=4 412 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [1,0,1,0,0,0|2,0,0]=4 413 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [1,0,1,0,0,0|2,0,0]=4 414 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [1,0,1,0,0,0|2,0,0]=4 415 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [1,0,1,0,0,0|2,0,0]=4 416 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [1,0,1,0,0,0|2,0,0]=4 417 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [1,0,1,0,0,0|2,0,0]=4 418 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [1,0,1,0,0,0|2,0,0]=4 419 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [1,0,1,0,0,0|2,0,0]=4 420 B7R0.12 CCC(CC)SCF 62a_100000210505_100015361967 [1,0,1,0,0,0|1,0,1]=4 421 B7R0.12 CCC(CC)SCF 62a_100015361967_100000210505 [1,0,1,0,0,0|1,0,1]=4 422 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,0,1,0,0,0|1,0,1]=4 423 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,0,1,0,0,0|1,0,1]=4 424 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,0,1,0,0,0|1,0,1]=4 425 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,0,1,0,0,0|1,0,1]=4 426 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,0,1,0,0,0|2,0,0]=4 427 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,0,1,0,0,0|2,0,0]=4 428 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,0,1,0,0,0|2,0,0]=4 429 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,0,1,0,0,0|2,0,0]=4 430 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,0,1,0,0,0|1,0,1]=4 431 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,0,1,0,0,0|1,0,1]=4 432 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,0,1,0,0,0|1,0,1]=4 433 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,0,1,0,0,0|1,0,1]=4 434 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [1,0,1,0,0,0|0,0,2]=4 435 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [1,0,1,0,0,0|0,0,2]=4 436 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [1,0,1,0,0,0|0,1,1]=4 437 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [1,0,1,0,0,0|0,0,1]=3 438 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [1,0,1,0,0,0|0,0,1]=3 439 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [2,0,0,0,0,0|2,0,0]=4 440 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [2,0,0,0,0,0|2,0,0]=4 441 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [2,0,0,0,0,0|2,0,0]=4 442 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [2,0,0,0,0,0|2,0,0]=4 443 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [2,0,0,0,0,0|2,0,0]=4 444 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [2,0,0,0,0,0|2,0,0]=4 445 B9R0.3 CCNN=C(C)C(C)(C)O 4a_100000756455_100000747739 [0,1,1,0,0,0|1,1,0]=4 446 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,1,0,0,0|2,0,0]=4 447 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [0,1,1,0,0,0|2,0,0]=4 448 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [0,1,1,0,0,0|2,0,0]=4 449 B9R0.7 C=C(C)C(C)NCC(C)C 269862a_100000210953_100011216138 [0,1,1,0,0,0|2,0,0]=4 450 B9R0.7 C=C(C)C(C)NCC(C)O 269862a_100000210904_100011216138 [0,1,1,0,0,0|2,0,0]=4 451 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [0,1,1,0,0,0|1,0,1]=4 452 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [0,1,1,0,0,0|1,0,1]=4 453 B9R0.7 CC(=NNC(C)C)C(C)C 4a_100000741168_100000211110 [0,1,1,0,0,0|2,0,0]=4 454 B9R0.7 CC(=NNC(C)C)C(C)O 4a_100000741168_100000212229 [0,1,1,0,0,0|1,1,0]=4 455 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,1,0,0,0|2,0,0]=4 456 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,1,1,0,0,0|2,0,0]=4 457 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,1,1,0,0,0|2,0,0]=4 458 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,1,1,0,0,0|1,1,0]=4 459 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,1,1,0,0,0|1,1,0]=4 460 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,1,1,0,0,0|1,1,0]=4 461 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,1,1,0,0,0|1,0,0]=3 462 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,1,1,0,0,0|1,0,0]=3 463 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,1,1,0,0,0|1,0,0]=3 464 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,1,1,0,0,0|1,0,0]=3 465 B9R0.7 CC(=O)C(C)SCC(F)F 62a_100009814033_100011934356 [0,1,1,0,0,0|2,0,0]=4 466 B9R0.7 CC(=O)C(C)SCC(F)F 62a_100011934356_100009814033 [0,1,1,0,0,0|2,0,0]=4 467 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,1,1,0,0,0|1,0,0]=3 468 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,1,1,0,0,0|1,0,0]=3 469 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,1,1,0,0,0|1,0,1]=4 470 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,1,1,0,0,0|1,0,1]=4 471 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,1,1,0,0,0|1,0,1]=4 472 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,1,1,0,0,0|1,0,1]=4 473 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,1,1,0,0,0|1,0,1]=4 474 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,1,1,0,0,0|1,0,1]=4 475 B9R0.8 C/C=C(\C)/C(C)NCCC 269862a_100020643023_100020675665 [0,1,1,0,0,0|2,0,0]=4 476 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [0,1,1,0,0,0|2,0,0]=4 477 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [0,1,1,0,0,0|2,0,0]=4 478 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,1,1,0,0,0|2,0,0]=4 479 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,1,1,0,0,0|2,0,0]=4 480 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,1,1,0,0,0|2,0,0]=4 481 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,1,1,0,0,0|2,0,0]=4 482 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [0,1,1,0,0,0|2,0,0]=4 483 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [0,1,1,0,0,0|2,0,0]=4 484 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,1,1,0,0,0|2,0,0]=4 485 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,1,0,0,0|2,0,0]=4 486 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,1,0,0,0|2,0,0]=4 487 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,1,0,0,0|2,0,0]=4 488 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,1,0,0,0|2,0,0]=4 489 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,1,0,0,0|2,0,0]=4 490 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,1,0,0,0|2,0,0]=4 491 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,1,0,0,0|2,0,0]=4 492 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,1,0,0,0|2,0,0]=4 493 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [0,1,1,0,0,0|1,0,1]=4 494 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [0,1,1,0,0,0|1,0,1]=4 495 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [0,1,1,0,0,0|1,0,1]=4 496 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [0,1,1,0,0,0|1,0,1]=4 497 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [0,1,1,0,0,0|1,0,1]=4 498 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [0,1,1,0,0,0|1,0,1]=4 499 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [0,1,1,0,0,0|1,0,1]=4 500 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [0,1,1,0,0,0|1,0,1]=4 501 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,1,1,0,0,0|2,0,0]=4 502 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,1,1,0,0,0|2,0,0]=4 503 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,1,1,0,0,0|2,0,0]=4 504 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,1,1,0,0,0|2,0,0]=4 505 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,1,1,0,0,0|2,0,0]=4 506 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,1,1,0,0,0|2,0,0]=4 507 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,1,1,0,0,0|1,1,0]=4 508 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,1,0,0,0|1,1,0]=4 509 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,1,0,0,0|1,1,0]=4 510 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,1,0,0,0|1,0,0]=3 511 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,1,0,0,0|1,0,0]=3 512 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,1,1,0,0,0|1,0,0]=3 513 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,1,1,0,0,0|1,0,0]=3 514 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,1,0,0,0|1,0,0]=3 515 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,1,0,0,0|1,0,0]=3 516 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,1,1,0,0,0|2,0,0]=4 517 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,1,1,0,0,0|2,0,0]=4 518 B9R0.8 CCNN=C(C)C(C)C#N 4a_100000756455_100000741742 [0,1,1,0,0,0|2,0,0]=4 519 B9R0.8 CCNN=C(C)C(C)CC 4a_100000756455_100000210599 [0,1,1,0,0,0|2,0,0]=4 520 B9R0.8 CCNN=C(C)C(C)CO 4a_100000756455_100000032740 [0,1,1,0,0,0|1,1,0]=4 521 B9R0.8 CCNN=C(C)C(C)SC 4a_100000756455_200011218923 [0,1,1,0,0,0|1,0,0]=3 522 B9R0.8 CNC(=O)C(C)SCCF 62a_100000209862_100011217306 [0,1,1,0,0,0|2,0,0]=4 523 B9R0.8 CNC(=O)C(C)SCCF 62a_100011217306_100000731044 [0,1,1,0,0,0|2,0,0]=4 524 B9R0.8 CNC(=O)C(C)SCCO 62a_100000209862_100000211926 [0,1,1,0,0,0|2,0,0]=4 525 B9R0.8 CNC(=O)C(C)SCCO 62a_100000211926_100000731044 [0,1,1,0,0,0|2,0,0]=4 526 B9R0.8 CNC(=O)C(C)SCOC 62a_100000209862_100000766300 [0,1,1,0,0,0|2,0,0]=4 527 B9R0.8 CNC(=O)C(C)SCOC 62a_100000766300_100000731044 [0,1,1,0,0,0|2,0,0]=4 528 B9R0.8 CNC(=O)C(C)SCSC 62a_100000209862_100011218213 [0,1,1,0,0,0|2,0,0]=4 529 B9R0.8 CNC(=O)C(C)SCSC 62a_100011218213_100000731044 [0,1,1,0,0,0|2,0,0]=4 530 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,1,1,0,0,0|2,0,0]=4 531 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,1,1,0,0,0|2,0,0]=4 532 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,1,1,0,0,0|2,0,0]=4 533 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,1,1,0,0,0|2,0,0]=4 534 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,1,1,0,0,0|2,0,0]=4 535 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,1,1,0,0,0|2,0,0]=4 536 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,1,1,0,0,0|2,0,0]=4 537 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,1,1,0,0,0|2,0,0]=4 538 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,1,1,0,0,0|2,0,0]=4 539 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,1,1,0,0,0|2,0,0]=4 540 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,1,1,0,0,0|2,0,0]=4 541 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [0,1,1,0,0,0|1,0,1]=4 542 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [0,1,1,0,0,0|1,0,1]=4 543 B9R0.13 CCNN=C(CC)C(C)C 4a_100000756455_100000210600 [0,1,1,0,0,0|2,0,0]=4 544 B9R0.42 C=C(C)C(C)NC(C)CC 269862a_100000209981_100011216138 [0,1,1,0,0,0|2,0,0]=4 545 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,1,1,0,0,0|2,0,0]=4 546 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,1,1,0,0,0|2,0,0]=4 547 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,1,1,0,0,0|2,0,0]=4 548 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,1,1,0,0,0|2,0,0]=4 549 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,1,1,0,0,0|1,1,0]=4 550 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,1,1,0,0,0|1,1,0]=4 551 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,1,1,0,0,0|1,0,0]=3 552 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,1,1,0,0,0|1,0,0]=3 553 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,1,1,0,0,0|1,0,1]=4 554 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,1,1,0,0,0|1,0,1]=4 555 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,1,1,0,0,0|2,0,0]=4 556 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,1,1,0,0,0|2,0,0]=4 557 B9R0.47 C#CCCSC(C)C(=O)C 62a_100000688953_100009814033 [0,1,1,0,0,0|1,0,1]=4 558 B9R0.47 C#CCCSC(C)C(=O)C 62a_100009814033_100000688953 [0,1,1,0,0,0|1,0,1]=4 559 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100009814033_100102629194 [0,1,1,0,0,0|1,0,1]=4 560 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100102629194_100009814033 [0,1,1,0,0,0|1,0,1]=4 561 B9R0.47 C=C(C)C(=NNCCC)C 4a_100000740057_100011216138 [0,1,1,0,0,0|1,0,1]=4 562 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,1,1,0,0,0|2,0,0]=4 563 B9R0.47 C=C(C)C(C)NCCCF 269862a_100015189416_100011216138 [0,1,1,0,0,0|2,0,0]=4 564 B9R0.47 C=C(C)C(C)NCCCO 269862a_100000182051_100011216138 [0,1,1,0,0,0|2,0,0]=4 565 B9R0.47 C=C(C)C(C)NCCOC 269862a_100000209980_100011216138 [0,1,1,0,0,0|2,0,0]=4 566 B9R0.47 C=C(C)C(C)NCCSC 269862a_100020590264_100011216138 [0,1,1,0,0,0|2,0,0]=4 567 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [0,1,1,0,0,0|1,0,1]=4 568 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [0,1,1,0,0,0|1,0,1]=4 569 B9R0.47 CC#CCSC(C)C(=O)C 62a_100000748600_100009814033 [0,1,1,0,0,0|1,0,1]=4 570 B9R0.47 CC#CCSC(C)C(=O)C 62a_100009814033_100000748600 [0,1,1,0,0,0|1,0,1]=4 571 B9R0.47 CC(=NNCCO)C(C)C 4a_100000210001_100000211110 [0,1,1,0,0,0|2,0,0]=4 572 B9R0.47 CC(=NNCCO)C(C)O 4a_100000210001_100000212229 [0,1,1,0,0,0|1,1,0]=4 573 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,1,1,0,0,0|2,0,0]=4 574 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,1,1,0,0,0|1,1,0]=4 575 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,1,1,0,0,0|1,1,0]=4 576 B9R0.47 CC(=O)C(C)SCCC#N 62a_100009814033_100011215226 [0,1,1,0,0,0|1,0,1]=4 577 B9R0.47 CC(=O)C(C)SCCC#N 62a_100011215226_100009814033 [0,1,1,0,0,0|1,0,1]=4 578 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,1,1,0,0,0|1,0,0]=3 579 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,1,1,0,0,0|1,0,0]=3 580 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,1,1,0,0,0|1,0,0]=3 581 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,1,1,0,0,0|1,0,0]=3 582 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,1,1,0,0,0|1,0,1]=4 583 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,1,1,0,0,0|1,0,1]=4 584 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,1,1,0,0,0|1,0,1]=4 585 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,1,1,0,0,0|1,0,1]=4 586 B9R0.47 CC=CCSC(C)C(=O)C 62a_100000070051_100009814033 [0,1,1,0,0,0|1,0,1]=4 587 B9R0.47 CC=CCSC(C)C(=O)C 62a_100009814033_100000070051 [0,1,1,0,0,0|1,0,1]=4 588 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,1,0,0,0|2,0,0]=4 589 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,1,0,0,0|2,0,0]=4 590 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,1,0,0,0|2,0,0]=4 591 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,1,0,0,0|2,0,0]=4 592 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,1,0,0,0|2,0,0]=4 593 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,1,0,0,0|1,1,0]=4 594 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,1,0,0,0|1,1,0]=4 595 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,1,0,0,0|1,0,0]=3 596 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,1,0,0,0|1,0,0]=3 597 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,1,0,0,0|1,0,0]=3 598 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,1,1,0,0,0|1,0,1]=4 599 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,1,1,0,0,0|1,0,1]=4 600 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,1,0,0,0|1,0,0]=3 601 B9R0.47 CCCNN=C(C)C(C)C 4a_100000740057_100000211110 [0,1,1,0,0,0|1,0,0]=3 602 B9R0.47 CCCNN=C(C)C(C)O 4a_100000740057_100000212229 [0,1,1,0,0,0|0,1,0]=3 603 B9R0.47 CCCNN=C(C)C(F)F 4a_100000740057_100000764096 [0,1,1,0,0,0|2,0,0]=4 604 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,1,0,0,0|1,1,0]=4 605 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,1,0,0,0|1,1,0]=4 606 B9R0.47 CCCSCC(C)N(C)C 270004a_100102631434_100011343953 [0,1,1,0,0,0|2,0,0]=4 607 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [0,1,1,0,0,0|1,0,0]=3 608 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [0,1,1,0,0,0|1,0,0]=3 609 B9R0.47 CCOCSC(C)C(=O)N 62a_100000702099_100000739092 [0,1,1,0,0,0|1,0,1]=4 610 B9R0.47 CCOCSC(C)C(=O)N 62a_100000739092_100000702099 [0,1,1,0,0,0|1,0,1]=4 611 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,1,1,0,0,0|2,0,0]=4 612 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,1,1,0,0,0|1,1,0]=4 613 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,1,1,0,0,0|1,0,0]=3 614 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,1,1,0,0,0|1,0,0]=3 615 B9R0.47 COCCSC(C)C(=O)N 62a_100000233755_100000702099 [0,1,1,0,0,0|1,0,1]=4 616 B9R0.47 COCCSC(C)C(=O)N 62a_100000702099_100000233755 [0,1,1,0,0,0|1,0,1]=4 617 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,1,1,0,0,0|2,0,0]=4 618 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,1,1,0,0,0|1,1,0]=4 619 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,1,1,0,0,0|1,1,0]=4 620 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,1,1,0,0,0|1,0,0]=3 621 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,1,1,0,0,0|1,0,0]=3 622 B9R0.47 CSCCSC(C)C(=O)N 62a_100000212216_100000702099 [0,1,1,0,0,0|1,0,1]=4 623 B9R0.47 CSCCSC(C)C(=O)N 62a_100000702099_100000751147 [0,1,1,0,0,0|1,0,1]=4 624 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100000075568_100011217306 [0,1,1,0,0,0|2,0,0]=4 625 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100011217306_100000075568 [0,1,1,0,0,0|2,0,0]=4 626 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000075568_100000211926 [0,1,1,0,0,0|2,0,0]=4 627 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000211926_100000075568 [0,1,1,0,0,0|2,0,0]=4 628 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,1,1,0,0,0|2,0,0]=4 629 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,1,1,0,0,0|2,0,0]=4 630 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,1,1,0,0,0|2,0,0]=4 631 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,1,1,0,0,0|2,0,0]=4 632 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [0,1,1,0,0,0|1,1,0]=4 633 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [0,1,1,0,0,0|1,1,0]=4 634 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [0,1,1,0,0,0|1,0,0]=3 635 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [0,1,1,0,0,0|1,0,0]=3 636 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000210303_100000702505 [0,1,1,0,0,0|1,0,1]=4 637 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000702505_100000210303 [0,1,1,0,0,0|1,0,1]=4 638 B9R0.51 CCCSC(C)(C)N(C)C 62a_100000210303_217856628674 [0,1,1,0,0,0|2,0,0]=4 639 B9R0.51 CCCSC(C)(C)N(C)C 62a_217856628674_100000210303 [0,1,1,0,0,0|2,0,0]=4 640 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000075568_100000766300 [0,1,1,0,0,0|2,0,0]=4 641 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000766300_100000075568 [0,1,1,0,0,0|2,0,0]=4 642 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100000075568_100011218213 [0,1,1,0,0,0|2,0,0]=4 643 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100011218213_100000075568 [0,1,1,0,0,0|2,0,0]=4 644 B9R0.22 C=CC(C)SC(C)(C)CC 62a_100011215867_100000032637 [0,1,1,0,0,0|1,0,1]=4 645 B9R0.22 CCC(C)(C)SC(C)OC 62a_100000032637_100009879195 [0,1,1,0,0,0|2,0,0]=4 646 B9R0.22 CCC(C)(C)SC(C)OC 62a_100009879195_100000032637 [0,1,1,0,0,0|2,0,0]=4 647 B9R0.22 CCC(C)SC(C)(C)CC 62a_100000032637_100000758301 [0,1,1,0,0,0|1,0,1]=4 648 B9R0.22 CCC(C)SC(C)(C)CC 62a_100000758301_100000032637 [0,1,1,0,0,0|1,0,1]=4 649 B9R0.26 C=CC(C)SC(CC)CC 62a_100011215867_100000210505 [0,1,1,0,0,0|1,0,1]=4 650 B9R0.26 CCC(C)SC(CC)CC 62a_100000210505_100000758301 [0,1,1,0,0,0|1,0,1]=4 651 B9R0.26 CCC(C)SC(CC)CC 62a_100000758301_100000210505 [0,1,1,0,0,0|1,0,1]=4 652 B9R0.26 CCC(CC)SC(C)OC 62a_100000210505_100009879195 [0,1,1,0,0,0|2,0,0]=4 653 B9R0.26 CCC(CC)SC(C)OC 62a_100009879195_100000210505 [0,1,1,0,0,0|2,0,0]=4 654 B9R0.34 C/C=C/C(C)OC(C)CC 34a_200102604097_100011215416 [0,1,1,0,0,0|1,1,0]=4 655 B9R0.34 C=CC(C)SC(C)CCC 62a_100011215867_100000766640 [0,1,1,0,0,0|1,0,1]=4 656 B9R0.34 C=CC(C)SC(C)CCO 62a_100011215867_100009893172 [0,1,1,0,0,0|1,0,1]=4 657 B9R0.34 C=CC(C)SC(C)COC 62a_100011215867_100000765312 [0,1,1,0,0,0|1,0,1]=4 658 B9R0.34 CCC(C)SC(C)CCO 62a_100000758301_100009893172 [0,1,1,0,0,0|1,0,1]=4 659 B9R0.34 CCC(C)SC(C)CCO 62a_100009893172_100000758301 [0,1,1,0,0,0|1,0,1]=4 660 B9R0.34 CCC(C)SC(C)COC 62a_100000758301_100000765312 [0,1,1,0,0,0|1,0,1]=4 661 B9R0.34 CCC(C)SC(C)COC 62a_100000765312_100000758301 [0,1,1,0,0,0|1,0,1]=4 662 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [0,1,1,0,0,0|1,0,1]=4 663 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [0,1,1,0,0,0|1,0,1]=4 664 B9R0.34 CCCC(C)SC(C)OC 62a_100000766640_100009879195 [0,1,1,0,0,0|2,0,0]=4 665 B9R0.34 CCCC(C)SC(C)OC 62a_100009879195_100000766640 [0,1,1,0,0,0|2,0,0]=4 666 B9R0.34 COC(C)SC(C)CCO 62a_100009879195_100009893172 [0,1,1,0,0,0|2,0,0]=4 667 B9R0.34 COC(C)SC(C)CCO 62a_100009893172_100009879195 [0,1,1,0,0,0|2,0,0]=4 668 B9R0.34 COCC(C)SC(C)OC 62a_100000765312_100009879195 [0,1,1,0,0,0|2,0,0]=4 669 B9R0.34 COCC(C)SC(C)OC 62a_100009879195_100000765312 [0,1,1,0,0,0|2,0,0]=4 670 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [0,1,1,0,0,0|2,0,0]=4 671 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [0,1,1,0,0,0|2,0,0]=4 672 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,1,1,0,0,0|1,0,1]=4 673 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,1,1,0,0,0|1,0,1]=4 674 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,1,1,0,0,0|1,0,1]=4 675 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,1,1,0,0,0|1,0,1]=4 676 B9R0.14 CCCC(CC)SC(C)C 62a_100000210206_100011219200 [0,1,1,0,0,0|1,0,1]=4 677 B9R0.14 CCCC(CC)SC(C)C 62a_100011219200_100000210206 [0,1,1,0,0,0|1,0,1]=4 678 B9R0.17 C/C=C/C(CCC)OCC 34a_200016264281_100000210202 [0,1,1,0,0,0|1,1,0]=4 679 B9R0.17 C/C=C/C(CCC)OCC 7a_200016264281_100000210202 [0,1,1,0,0,0|1,1,0]=4 680 B9R0.17 CCCC(CCC)SCC 62a_100000210202_200011218217 [0,1,1,0,0,0|1,0,1]=4 681 B9R0.17 CCCC(CCC)SCC 62a_200011218217_100000210202 [0,1,1,0,0,0|1,0,1]=4 682 B9R0.40 CCCC(CC)SCCF 62a_100011217306_100011219200 [0,1,1,0,0,0|1,0,1]=4 683 B9R0.40 CCCC(CC)SCCF 62a_100011219200_100011217306 [0,1,1,0,0,0|1,0,1]=4 684 B9R0.40 CCCC(CC)SCCO 62a_100000211926_100011219200 [0,1,1,0,0,0|1,0,1]=4 685 B9R0.40 CCCC(CC)SCCO 62a_100011219200_100000211926 [0,1,1,0,0,0|1,0,1]=4 686 B9R0.40 CCCC(CC)SCOC 62a_100000766300_100011219200 [0,1,1,0,0,0|1,0,1]=4 687 B9R0.40 CCCC(CC)SCOC 62a_100011219200_100000766300 [0,1,1,0,0,0|1,0,1]=4 688 B9R0.40 CCCC(CC)SCSC 62a_100011218213_100011219200 [0,1,1,0,0,0|1,0,1]=4 689 B9R0.40 CCCC(CC)SCSC 62a_100011219200_100011218213 [0,1,1,0,0,0|1,0,1]=4 690 B9R0.40 CCCCC(CC)SCC 62a_100000210202_200011216223 [0,1,1,0,0,0|1,0,1]=4 691 B9R0.40 CCCCC(CC)SCC 62a_200011216223_100000210202 [0,1,1,0,0,0|1,0,1]=4 692 B9R0.40 CCCSC(CC)CCC 62a_100000210303_100011219200 [0,1,1,0,0,0|1,0,1]=4 693 B9R0.40 CCCSC(CC)CCC 62a_100011219200_100000210303 [0,1,1,0,0,0|1,0,1]=4 694 B9R0.59 CCCC(C)(CC)SCC 62a_100000210202_200000040151 [0,1,1,0,0,0|1,0,1]=4 695 B9R0.59 CCCC(C)(CC)SCC 62a_200000040151_100000210202 [0,1,1,0,0,0|1,0,1]=4 696 B9R1.7 CCNc1nc(ns1)C 27a_100015525214_100000709739 [1,1,0,0,0,0|1,0,1]=4 697 B9R1.7 CCSc1nc(cs1)C 62a_100000210202_100011291629 [1,1,0,0,0,0|0,0,2]=4 698 B9R1.7 CCSc1nc(cs1)C 62a_100011291629_100000210202 [1,1,0,0,0,0|0,0,2]=4 699 B9R1.7 CCSc1nc(ns1)C 62a_100000210202_100000709739 [1,1,0,0,0,0|1,0,1]=4 700 B9R1.7 CCSc1nc(ns1)C 62a_100000709739_100000210202 [1,1,0,0,0,0|1,0,1]=4 701 B9R1.7 CCSc1ncc(s1)C 62a_100000210202_100000690809 [1,1,0,0,0,0|0,0,2]=4 702 B9R1.7 CCSc1ncc(s1)C 62a_100000690809_100000210202 [1,1,0,0,0,0|0,0,2]=4 703 B9R1.7 CNCc1nc(cs1)C 207a_100102657272_100000756994 [1,1,0,0,0,0|0,0,2]=4 704 B9R1.7 CNCc1nc(cs1)C 2230a_100015183719_200000210301 [1,1,0,0,0,0|0,0,2]=4 705 B9R1.7 CNCc1nc(cs1)C 270004a_106832991635_100000756994 [1,1,0,0,0,0|0,0,2]=4 706 B9R1.7 CNCc1ncc(s1)C 207a_100102657272_100011361622 [1,1,0,0,0,0|0,0,2]=4 707 B9R1.7 CNCc1ncc(s1)C 270004a_106832991635_100011361622 [1,1,0,0,0,0|0,0,2]=4 708 B9R1.7 Cc1csc(n1)CN[13CH3] 2230a_100015183719_200025704644 [1,1,0,0,0,0|0,0,2]=4 709 B11R1.50 C=C(C)c1sc(nc1C)CC 271570a_100000694244_100010138847 [0,2,0,0,0,0|0,0,2]=4 710 B11R1.185 CC=Cc1sc(nc1C)CC 271570a_100016259895_100010138847 [0,2,0,0,0,0|0,0,2]=4 711 B11R1.185 CCSc1sc(nc1C)CC 62a_100000210202_100010138847 [0,2,0,0,0,0|0,0,2]=4 712 B11R1.185 CCSc1sc(nc1C)CC 62a_100010138847_100000210202 [0,2,0,0,0,0|0,0,2]=4 713 B11R1.185 CCc1nc(c(s1)CNC)C 2230a_100015186448_200000210301 [0,2,0,0,0,0|0,0,2]=4 714 B11R1.185 CCc1nc(c(s1)CN[13CH3])C 2230a_100015186448_200025704644 [0,2,0,0,0,0|0,0,2]=4 715 B11R1.185 CCc1nc(c(s1)SCF)C 62a_100010138847_100015361967 [0,2,0,0,0,0|0,0,2]=4 716 B11R1.185 CCc1nc(c(s1)SCF)C 62a_100015361967_100010138847 [0,2,0,0,0,0|0,0,2]=4 717 B11R1.187 CCSc1nc(c(s1)C)CO 62a_100000210202_100010127906 [0,2,0,0,0,0|0,0,2]=4 718 B11R1.187 CCSc1nc(c(s1)C)CO 62a_100010127906_100000210202 [0,2,0,0,0,0|0,0,2]=4 719 B11R1.187 CCSc1nc(c(s1)CO)C 62a_100000210202_100010264302 [0,2,0,0,0,0|0,0,2]=4 720 B11R1.187 CCSc1nc(c(s1)CO)C 62a_100010264302_100000210202 [0,2,0,0,0,0|0,0,2]=4 721 B11R1.80 CC(=O)Cc1nc(c(s1)C)C 1458a_100000070787_100000763442 [0,2,0,0,0,0|0,0,2]=4 722 B11R1.80 Cc1nc(sc1C)CN(C)C 2230a_100102631434_100012347604 [0,2,0,0,0,0|0,0,2]=4 723 B11R1.80 Cc1nc(sc1C)CN(C)C 269982a_100102631434_100012347604 [0,2,0,0,0,0|0,0,2]=4 724 B11R1.80 Cc1nc(sc1C)CN(C)C 270004a_100102631434_100011775437 [0,2,0,0,0,0|0,0,2]=4 725 B11R1.80 Cc1nc(sc1C)NC(C)C 27a_100138425928_100000765934 [0,2,0,0,0,0|0,0,2]=4 726 B11R1.80 Cc1nc(sc1C)SC(C)C 62a_100000210206_100000765934 [0,2,0,0,0,0|0,0,2]=4 727 B11R1.80 Cc1nc(sc1C)SC(C)C 62a_100000765934_100000210206 [0,2,0,0,0,0|0,0,2]=4 728 B11R1.231 CCCCc1nc(c(s1)C)C 271570a_100020621405_100000765934 [0,2,0,0,0,0|0,0,2]=4 729 B11R1.231 CCCSc1nc(c(s1)C)C 62a_100000210303_100000765934 [0,2,0,0,0,0|0,0,2]=4 730 B11R1.231 CCCSc1nc(c(s1)C)C 62a_100000765934_100000210303 [0,2,0,0,0,0|0,0,2]=4 731 B11R1.231 CCNCc1nc(c(s1)C)C 207a_100015525214_100011775437 [0,2,0,0,0,0|0,0,2]=4 732 B11R1.231 CCNCc1nc(c(s1)C)C 2230a_100015525214_100012347604 [0,2,0,0,0,0|0,0,2]=4 733 B11R1.231 CCNCc1nc(c(s1)C)C 270004a_100015525214_100011775437 [0,2,0,0,0,0|0,0,2]=4 734 B11R1.231 CCOCc1nc(c(s1)C)C 34a_100121572206_100012347604 [0,2,0,0,0,0|0,0,2]=4 735 B11R1.231 CCOCc1nc(c(s1)C)C 7a_100000760949_100000210202 [0,2,0,0,0,0|0,0,2]=4 736 B11R1.231 CCSCc1nc(c(s1)C)C 62a_100000210202_100012347604 [0,2,0,0,0,0|0,0,2]=4 737 B11R1.231 CCSCc1nc(c(s1)C)C 62a_100000763442_100000210202 [0,2,0,0,0,0|0,0,2]=4 738 B11R1.231 CNCCc1nc(c(s1)C)C 2230a_100000759773_200000210301 [0,2,0,0,0,0|0,0,2]=4 739 B11R1.231 COCSc1nc(c(s1)C)C 62a_100000765934_100000766300 [0,2,0,0,0,0|0,0,2]=4 740 B11R1.231 COCSc1nc(c(s1)C)C 62a_100000766300_100000765934 [0,2,0,0,0,0|0,0,2]=4 741 B11R1.231 CSCSc1nc(c(s1)C)C 62a_100000765934_100011218213 [0,2,0,0,0,0|0,0,2]=4 742 B11R1.231 CSCSc1nc(c(s1)C)C 62a_100011218213_100000765934 [0,2,0,0,0,0|0,0,2]=4 743 B11R1.231 Cc1nc(sc1C)CCN[13CH3] 2230a_100000759773_200025704644 [0,2,0,0,0,0|0,0,2]=4 744 B11R1.231 Cc1nc(sc1C)COCF 7a_100000760949_100015361967 [0,2,0,0,0,0|0,0,2]=4 745 B11R1.231 Cc1nc(sc1C)CSCF 62a_100000763442_100015361967 [0,2,0,0,0,0|0,0,2]=4 746 B11R1.231 Cc1nc(sc1C)CSCF 62a_100015361967_100012347604 [0,2,0,0,0,0|0,0,2]=4 747 B11R1.231 Cc1nc(sc1C)NCCO 27a_100000210304_100000765934 [0,2,0,0,0,0|0,0,2]=4 748 B11R1.231 Cc1nc(sc1C)SCCF 62a_100000765934_100011217306 [0,2,0,0,0,0|0,0,2]=4 749 B11R1.231 Cc1nc(sc1C)SCCF 62a_100011217306_100000765934 [0,2,0,0,0,0|0,0,2]=4 750 B11R1.231 Cc1nc(sc1C)SCCO 62a_100000211926_100000765934 [0,2,0,0,0,0|0,0,2]=4 751 B11R1.231 Cc1nc(sc1C)SCCO 62a_100000765934_100000211926 [0,2,0,0,0,0|0,0,2]=4 752 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,1,1,0,0|2,0,0]=4 753 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,1,1,0,0|2,0,0]=4 754 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,1,1,0,0|1,1,0]=4 755 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,1,1,0,0|2,0,0]=4 756 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,1,1,0,0|2,0,0]=4 757 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,1,1,0,0|1,1,0]=4 758 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,1,1,0,0|2,0,0]=4 759 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,1,1,0,0|1,1,0]=4 760 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,1,1,0,0|1,0,0]=3 761 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,1,1,0,0|1,0,0]=3 762 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,0,1,1,0,0|2,0,0]=4 763 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,0,1,1,0,0|2,0,0]=4 764 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,0,1,1,0,0|2,0,0]=4 765 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,0,1,1,0,0|2,0,0]=4 766 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,0,1,1,0,0|2,0,0]=4 767 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,0,1,1,0,0|2,0,0]=4 768 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,0,1,1,0,0|2,0,0]=4 769 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,0,1,1,0,0|2,0,0]=4 770 B9R1.100 CCNN=C(C)C1CC1 4a_100000756455_100000210639 [0,0,1,1,0,0|2,0,0]=4 771 B9R1.100 CCNN=C(C)C1CO1 4a_100000756455_100000031964 [0,0,1,1,0,0|1,1,0]=4 772 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [0,0,1,1,0,0|2,0,0]=4 773 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,0,1,1,0,0|1,1,0]=4 774 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,0,1,1,0,0|1,0,0]=3 775 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [0,0,1,1,0,0|1,0,1]=4 776 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,0,1,1,0,0|2,0,0]=4 777 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,0,1,1,0,0|1,1,0]=4 778 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,0,1,1,0,0|2,0,0]=4 779 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,0,1,1,0,0|1,1,0]=4 780 B9R1.79 C=CC(C)SC1CCC1 62a_100011215867_100000749161 [0,0,1,1,0,0|1,0,1]=4 781 B9R1.79 CCC(C)SC1CCC1 62a_100000758301_100000749161 [0,0,1,1,0,0|1,0,1]=4 782 B9R1.79 COC(C)SC1CCC1 62a_100009879195_100000749161 [0,0,1,1,0,0|2,0,0]=4 783 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [0,0,1,1,0,0|2,0,0]=4 784 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,0,1,1,0,0|1,1,0]=4 785 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [0,0,1,1,0,0|1,0,0]=3 786 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [0,0,1,1,0,0|1,0,0]=3 787 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,0,1,1,0,0|1,0,1]=4 788 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,0,1,1,0,0|1,0,1]=4 789 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [0,0,1,1,0,0|2,0,0]=4 790 B9R1.8 FCSC1C=CCCC1 62a_100000751183_100015361967 [0,0,1,1,0,0|2,0,0]=4 791 B9R1.8 FCSC1C=CCCC1 62a_100015361967_100000751183 [0,0,1,1,0,0|2,0,0]=4 792 B9R1.14 CCC1C=CCN1CC 2230a_100000730860_100000210202 [0,0,1,1,0,0|2,0,0]=4 793 B9R1.14 CCC1C=CCN1CC 269982a_100000730860_100000204670 [0,0,1,1,0,0|2,0,0]=4 794 B9R1.14 CCC1C=CCN1CC 34a_100000730860_100000210202 [0,0,1,1,0,0|2,0,0]=4 795 B11R2.355 Cc1nc(sc1C)C2CC2 271570a_100011220607_100000765934 [0,1,0,1,0,0|0,0,2]=4 796 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,0,1,0,1,0|2,0,0]=4 797 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,0,1,0,1,0|2,0,0]=4 798 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,0,1,0,1,0|1,1,0]=4 799 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,0,1,0,1,0|2,0,0]=4 800 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,0,1,0,1,0|2,0,0]=4 801 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,0,1,0,1,0|2,0,0]=4 802 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,0,1,0,1,0|2,0,0]=4 803 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,0,1,0,1,0|2,0,0]=4 804 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,0,1,0,1,0|2,0,0]=4 805 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,0,1,0,1,0|2,0,0]=4 806 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,0,1,0,1,0|2,0,0]=4 807 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,0,1,0,1,0|2,0,0]=4 808 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,0,1,0,1,0|2,0,0]=4 809 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,0,1,0,1,0|2,0,0]=4 810 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,0,1,0,1,0|2,0,0]=4 811 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [1,0,0,0,1,0|2,0,0]=4 812 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [1,0,0,0,1,0|2,0,0]=4 813 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [1,0,0,0,1,0|2,0,0]=4 814 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [1,0,0,0,1,0|2,0,0]=4 815 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [0,0,1,0,0,1|2,0,0]=4 816 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [0,0,1,0,0,1|2,0,0]=4 817 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,0,1,0,0,1|2,0,0]=4 818 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,0,1,0,0,1|2,0,0]=4 819 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,0,1,0,0,1|2,0,0]=4 820 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,0,1,0,0,1|2,0,0]=4 821 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,0,1,0,0,1|2,0,0]=4 822 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,0,1,0,0,1|2,0,0]=4 823 B9R0.4 CCCOC(C)C=C(C)C 34a_100000717055_100000210303 [0,0,1,0,0,1|1,1,0]=4 824 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [0,0,1,0,0,1|1,0,1]=4 825 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [0,0,1,0,0,1|1,0,1]=4 826 B9R0.4 CCCSC(C)CN(C)C 62a_100000210303_100020606517 [0,0,1,0,0,1|2,0,0]=4 827 B9R0.4 CCCSC(C)CN(C)C 62a_100020606517_100000210303 [0,0,1,0,0,1|2,0,0]=4 828 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,0,1,0,0,1|1,0,0]=3 829 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,0,1,0,0,1|1,0,0]=3 830 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [0,0,1,0,0,1|2,0,0]=4 831 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [0,0,1,0,0,1|2,0,0]=4 832 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [0,0,1,0,0,1|2,0,0]=4 833 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [0,0,1,0,0,1|2,0,0]=4 834 B9R0.24 C=CC(C)SCC(C)CC 62a_100011215867_100000748023 [0,0,1,0,0,1|1,0,1]=4 835 B9R0.24 C=CC(C)SCC(O)CC 62a_100011215867_100011218378 [0,0,1,0,0,1|1,0,1]=4 836 B9R0.24 C=CC(C)SC[C@@H](C)CC 62a_100011215867_100009816398 [0,0,1,0,0,1|1,0,1]=4 837 B9R0.24 CCC(C)CSC(C)CC 62a_100000748023_100000758301 [0,0,1,0,0,1|1,0,1]=4 838 B9R0.24 CCC(C)CSC(C)CC 62a_100000758301_100000748023 [0,0,1,0,0,1|1,0,1]=4 839 B9R0.24 CCC(C)CSC(C)OC 62a_100000748023_100009879195 [0,0,1,0,0,1|2,0,0]=4 840 B9R0.24 CCC(C)CSC(C)OC 62a_100009879195_100000748023 [0,0,1,0,0,1|2,0,0]=4 841 B9R0.24 CCC(C)NN=C(C)CF 4a_100000718999_100000039719 [0,0,1,0,0,1|2,0,0]=4 842 B9R0.24 CCC(C)NN=C(C)CO 4a_100000718999_100000211253 [0,0,1,0,0,1|2,0,0]=4 843 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100000758301_100009816398 [0,0,1,0,0,1|1,0,1]=4 844 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100009816398_100000758301 [0,0,1,0,0,1|1,0,1]=4 845 B9R0.24 CCC(O)CSC(C)CC 62a_100000758301_100011218378 [0,0,1,0,0,1|1,0,1]=4 846 B9R0.24 CCC(O)CSC(C)CC 62a_100011218378_100000758301 [0,0,1,0,0,1|1,0,1]=4 847 B9R0.24 CCC(O)CSC(C)OC 62a_100009879195_100011218378 [0,0,1,0,0,1|2,0,0]=4 848 B9R0.24 CCC(O)CSC(C)OC 62a_100011218378_100009879195 [0,0,1,0,0,1|2,0,0]=4 849 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009816398_100009879195 [0,0,1,0,0,1|2,0,0]=4 850 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009879195_100009816398 [0,0,1,0,0,1|2,0,0]=4