0 B10R1.34 CCn1nc(c(c1C)O)C 271570a_203496583355_100000755104 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.34 Cc1nn(c(c1O)C)CO 271570a_203496583355_100009992181 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.23 CCc1nc(c(s1)O)C 271570a_203496583355_100010138847 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.23 Cc1sc(cc1O)CO 271570a_203496583355_100013897464 [1,0,0,0,0,0|1,1,1]=4 9 B9R1.37 Cc1nn(c(c1O)C)C 271570a_203496583355_100000239273 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.132 CCn1ncc(c1C)O 271570a_203496583355_100012002569 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.186 Cc1nn(c(c1O)C)CCN 271570a_203496583355_100020604630 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.672 Cc1nn(c(c1O)C)C(C)C 271570a_203496583355_100011616498 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [0,0,1,0,0,0|2,0,1]=4 14 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,0,1,0,0,0|1,0,2]=4 15 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,0,1,0,0,0|1,0,2]=4 16 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [0,0,1,0,0,0|2,0,1]=4 17 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [0,0,1,0,0,0|1,0,2]=4 18 B9R0.12 CCOC(CC)C(=O)CC 34a_200011218131_100000210202 [0,0,1,0,0,0|1,0,2]=4 19 B9R0.12 CCOC(CC)C(=O)CC 7a_200011218131_100000210202 [0,0,1,0,0,0|1,0,2]=4 20 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [0,0,1,0,0,0|2,0,1]=4 21 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [0,0,1,0,0,0|2,0,1]=4 22 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [0,0,1,0,0,0|2,0,1]=4 23 B9R0.26 C=CC(CC)OC(C)CO 34a_100000766422_100012180447 [0,0,1,0,0,0|1,0,2]=4 24 B9R0.26 C=CC(CC)OC(C)CO 7a_100000766422_100012180447 [0,0,1,0,0,0|1,0,2]=4 25 B9R0.27 C/C=C(\C)/C(=O)C(C)CC 1458a_100020587367_100000758301 [0,0,1,0,0,0|2,0,0]=3 26 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 11a_100000225621_100020587367 [0,0,1,0,0,0|3,0,0]=4 27 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 1626a_100000225621_100020587367 [0,0,1,0,0,0|3,0,0]=4 28 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,0,1,0,0,0|2,0,1]=4 29 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [0,0,1,0,0,0|1,0,2]=4 30 B9R0.27 CCC(O)C(=O)N(C)CC 240690a_100000225621_100011196387 [0,0,1,0,0,0|2,0,1]=4 31 B9R1.28 COC1C(=O)C(=O)C1=O 7a_100010658403_200000210301 [0,0,0,0,1,0|2,0,1]=4 32 B9R1.28 [13CH3]OC1C(=O)C(=O)C1=O 7a_100010658403_200025704644 [0,0,0,0,1,0|2,0,1]=4 33 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [1,0,1,0,0,0|2,0,0]=4 34 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [1,0,1,0,0,0|2,0,0]=4 35 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [1,0,1,0,0,0|1,0,1]=4 36 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [1,0,1,0,0,0|1,0,1]=4 37 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [1,0,1,0,0,0|1,0,1]=4 38 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [1,0,1,0,0,0|2,0,0]=4 39 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,0,1,0,0,0|1,0,0]=3 40 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [1,0,1,0,0,0|2,0,0]=4 41 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [1,0,1,0,0,0|2,0,0]=4 42 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [1,0,1,0,0,0|2,0,0]=4 43 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [1,0,1,0,0,0|0,0,2]=4 44 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [1,0,1,0,0,0|1,0,0]=3 45 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [1,0,1,0,0,0|2,0,0]=4 46 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [1,0,1,0,0,0|2,0,0]=4 47 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [1,0,1,0,0,0|2,0,0]=4 48 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [1,0,1,0,0,0|2,0,0]=4 49 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [1,0,1,0,0,0|2,0,0]=4 50 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [1,0,1,0,0,0|2,0,0]=4 51 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [1,0,1,0,0,0|2,0,0]=4 52 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,0,1,0,0,0|1,0,1]=4 53 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,0,1,0,0,0|0,0,2]=4 54 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [1,0,1,0,0,0|0,0,2]=4 55 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [1,0,1,0,0,0|1,0,1]=4 56 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [1,0,1,0,0,0|1,0,1]=4 57 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [1,0,1,0,0,0|2,0,0]=4 58 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [1,0,1,0,0,0|2,0,0]=4 59 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [1,0,1,0,0,0|2,0,0]=4 60 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [1,0,1,0,0,0|2,0,0]=4 61 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [1,0,1,0,0,0|2,0,0]=4 62 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [1,0,1,0,0,0|2,0,0]=4 63 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,0,1,0,0,0|1,0,1]=4 64 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,0,1,0,0,0|1,0,1]=4 65 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,0,1,0,0,0|1,0,0]=3 66 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [1,0,1,0,0,0|1,0,0]=3 67 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [1,0,1,0,0,0|1,0,0]=3 68 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [1,0,1,0,0,0|2,0,0]=4 69 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,0,1,0,0,0|0,0,2]=4 70 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,0,1,0,0,0|0,0,2]=4 71 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,0,1,0,0,0|0,0,2]=4 72 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [1,0,1,0,0,0|2,0,0]=4 73 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [1,0,1,0,0,0|2,0,0]=4 74 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [1,0,1,0,0,0|2,0,0]=4 75 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [1,0,1,0,0,0|2,0,0]=4 76 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [1,0,1,0,0,0|2,0,0]=4 77 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,0,1,0,0,0|1,0,1]=4 78 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,0,1,0,0,0|1,0,1]=4 79 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,0,1,0,0,0|1,0,1]=4 80 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,0,1,0,0,0|1,0,1]=4 81 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,0,1,0,0,0|1,0,1]=4 82 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,0,1,0,0,0|0,0,2]=4 83 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,0,1,0,0,0|1,0,1]=4 84 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,0,1,0,0,0|1,0,1]=4 85 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [1,0,1,0,0,0|1,0,1]=4 86 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,0,1,0,0,0|1,0,1]=4 87 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [1,0,1,0,0,0|1,0,1]=4 88 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [1,0,1,0,0,0|1,0,1]=4 89 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [1,0,1,0,0,0|1,0,1]=4 90 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [1,0,1,0,0,0|1,0,1]=4 91 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [1,0,1,0,0,0|1,0,1]=4 92 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [1,0,1,0,0,0|1,0,1]=4 93 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [1,0,1,0,0,0|1,0,1]=4 94 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [1,0,1,0,0,0|0,0,2]=4 95 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [1,0,1,0,0,0|1,0,1]=4 96 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [1,0,1,0,0,0|2,0,0]=4 97 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [1,0,1,0,0,0|2,0,0]=4 98 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [1,0,1,0,0,0|2,0,0]=4 99 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [1,0,1,0,0,0|2,0,0]=4 100 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [1,0,1,0,0,0|2,0,0]=4 101 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [1,0,1,0,0,0|2,0,0]=4 102 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [1,0,1,0,0,0|2,0,0]=4 103 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [1,0,1,0,0,0|2,0,0]=4 104 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [1,0,1,0,0,0|2,0,0]=4 105 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [2,0,0,0,0,0|0,1,1]=4 106 B8R1.1 CCn1cc(cn1)O 271570a_203496583355_100011400201 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [2,0,0,0,0,0|0,1,1]=4 108 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [2,0,0,0,0,0|2,0,0]=4 109 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [2,0,0,0,0,0|2,0,0]=4 111 B8R1.50 Cc1onc(c1O)N 271570a_203496583355_100011216220 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.50 Cc1onc(c1O)O 271570a_203496583355_100010730664 [2,0,0,0,0,0|1,0,1]=4 113 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [0,1,1,0,0,0|0,0,2]=4 114 B10R0.101 CCCC(=O)C(=C(C)C)C#N 1458a_100000137542_100000210303 [0,1,1,0,0,0|2,0,0]=4 115 B10R0.53 C=CC(C)OC(CC)C(=O)N 34a_100000695699_100000750255 [0,1,1,0,0,0|1,0,1]=4 116 B10R1.58 Cc1nn(cc1O)C(C)C 271570a_203496583355_100012354293 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.131 CCNC1C=C(C(=O)O1)C 2230a_100015525214_200009893386 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_100000210202_200009893386 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_200009893386_100000210202 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.131 Cc1nn(cc1O)CCF 271570a_203496583355_100010872355 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.257 CCn1ncc(c1C=O)O 271570a_203496583355_100000763648 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.264 CCOC1C(=O)C(=O)C1=O 7a_100010658403_100000210202 [0,1,0,0,1,0|1,0,1]=4 123 B10R1.463 C=CC(C)OC1CCC1=O 34a_100000695699_100009892977 [0,0,1,1,0,0|1,0,1]=4 124 B10R0.26 C=C(C)C(=O)CC(=O)CCC 1458a_100000185857_100000747444 [0,0,1,0,0,1|1,0,1]=4 125 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,0,1,0,0,1|0,0,2]=4 126 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,0,1,0,0,1|0,0,2]=4 127 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,0,1,0,0,1|0,0,2]=4 128 B10R1.8 COc1cc(=O)cc(o1)C 34a_100016989201_200000210301 [1,0,0,0,0,1|1,0,1]=4 129 B10R1.8 Cc1cc(=O)cc(o1)O[13CH3] 34a_100016989201_200025704644 [1,0,0,0,0,1|1,0,1]=4 130 B10R1.25 COc1coc(cc1=O)C 34a_100000081520_200000210301 [1,0,0,0,0,1|1,0,1]=4 131 B10R1.25 Cc1cc(=O)c(co1)O[13CH3] 34a_100000081520_200025704644 [1,0,0,0,0,1|1,0,1]=4